#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5u n SER 34 N 0.00 0.00 0.00 -1.34 3.41 -1.26 0.65 113.62 115.08 3g5u n SER 34 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3g5u n SER 34 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3g5u n SER 34 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3g5u n VAL 35 N 0.00 0.00 -0.03 -3.33 0.24 -1.26 -1.32 118.33 112.63 3g5u n VAL 35 Ca 0.00 1.15 -0.14 0.00 -2.04 0.00 0.00 64.34 63.31 3g5u n VAL 35 Cb 0.00 -1.91 -0.11 0.00 -1.47 0.00 0.00 33.84 30.35 3g5u n VAL 35 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 3g5u h LEU 36 N 0.00 0.08 0.49 1.34 8.10 -0.19 -2.02 115.31 123.11 3g5u h LEU 36 Ca 0.00 -0.66 -0.02 0.00 0.11 0.00 0.00 57.88 57.31 3g5u h LEU 36 Cb 0.00 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.20 3g5u h LEU 36 CO 0.00 0.72 -0.24 0.74 -4.11 0.00 0.00 178.44 175.56 3g5u h THR 37 N -0.56 0.00 -0.89 0.15 2.02 -0.28 0.37 112.91 113.72 3g5u h THR 37 Ca -0.00 -0.46 0.20 0.00 0.77 0.00 0.00 66.41 66.92 3g5u h THR 37 Cb 0.72 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.01 3g5u h THR 37 CO 0.01 0.00 0.42 -0.03 0.37 0.00 0.00 175.52 176.30 3g5u h MET 38 N -1.12 0.47 -1.00 6.66 4.05 -1.35 4.80 114.93 127.44 3g5u h MET 38 Ca -0.07 -0.03 0.20 0.00 -0.28 0.00 0.00 59.70 59.52 3g5u h MET 38 Cb 0.51 -0.11 -0.10 0.00 -0.80 0.00 0.00 31.60 31.10 3g5u h MET 38 CO 0.11 0.31 0.61 0.35 0.23 0.00 0.00 176.91 178.52 3g5u h PHE 39 N 0.48 0.99 -2.32 1.39 3.04 -0.42 -1.74 116.94 118.36 3g5u h PHE 39 Ca 0.54 0.03 -0.64 0.00 3.98 0.00 0.00 57.97 61.88 3g5u h PHE 39 Cb 0.96 -0.30 -0.39 0.00 2.56 0.00 0.00 35.95 38.78 3g5u h PHE 39 CO -0.11 0.21 -0.34 0.54 -2.02 0.00 0.00 178.31 176.59 3g5u n ARG 40 N -4.74 2.91 0.00 1.11 1.74 1.56 -5.03 116.66 114.22 3g5u n ARG 40 Ca 0.23 -4.66 0.00 0.00 -0.77 0.00 0.00 57.85 52.65 3g5u n ARG 40 Cb 0.62 -2.31 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 3g5u n ARG 40 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 3g5u n TYR 41 N 0.91 0.00 -2.96 -1.55 4.11 -0.53 -4.80 117.16 112.34 3g5u n TYR 41 Ca 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 58.18 3g5u n TYR 41 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.73 3g5u n TYR 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3g5u n ALA 42 N -3.00 -2.39 0.00 -3.48 0.00 -1.26 -5.01 120.51 105.37 3g5u n ALA 42 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3g5u n ALA 42 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.15 3g5u n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g5u n GLY 43 N 1.52 0.01 0.00 0.00 0.00 -1.26 -4.80 105.19 100.66 3g5u n GLY 43 Ca -0.07 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3g5u n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3g5u n TRP 44 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -1.81 117.44 115.98 3g5u n TRP 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3g5u n TRP 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3g5u n TRP 44 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3g5u n LEU 45 N 0.00 0.00 0.00 5.87 7.99 -1.26 -0.99 117.00 128.61 3g5u n LEU 45 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3g5u n LEU 45 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3g5u n LEU 45 CO 0.00 0.00 0.00 0.47 -1.51 0.00 0.00 177.39 176.35 3g5u n ASP 46 N -0.86 0.00 -0.41 -1.43 10.43 -1.26 -2.24 116.55 120.78 3g5u n ASP 46 Ca 0.00 0.20 0.34 0.00 2.57 0.00 0.00 54.79 57.90 3g5u n ASP 46 Cb 0.00 -0.23 0.62 0.00 1.84 0.00 0.00 41.12 43.35 3g5u n ASP 46 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 3g5u h ARG 47 N 0.00 0.11 0.01 -1.24 2.43 -0.26 0.31 114.38 115.73 3g5u h ARG 47 Ca 0.00 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3g5u h ARG 47 Cb 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3g5u h ARG 47 CO 0.00 0.07 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.46 3g5u h LEU 48 N 0.11 -0.01 -1.53 3.80 3.38 -1.54 -1.55 115.31 117.96 3g5u h LEU 48 Ca 0.81 -0.65 0.07 0.00 0.09 0.00 0.00 57.88 58.19 3g5u h LEU 48 Cb 2.40 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 43.11 3g5u h LEU 48 CO -0.48 0.65 0.40 0.22 0.09 0.00 0.00 178.44 179.33 3g5u h TYR 49 N -0.69 0.57 0.27 1.13 3.20 -0.45 -2.16 116.97 118.85 3g5u h TYR 49 Ca -0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3g5u h TYR 49 Cb 0.66 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3g5u h TYR 49 CO 0.16 0.30 -0.21 1.98 -1.64 0.00 0.00 178.16 178.75 3g5u h MET 50 N 0.56 -0.45 -0.75 1.82 4.05 -0.30 -1.10 114.93 118.76 3g5u h MET 50 Ca 0.27 0.03 0.19 0.00 -0.28 0.00 0.00 59.70 59.91 3g5u h MET 50 Cb 0.32 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.19 3g5u h MET 50 CO -0.08 -0.30 0.52 -0.07 0.23 0.00 0.00 176.91 177.21 3g5u h LEU 51 N -0.47 0.17 0.35 3.39 3.38 -1.15 -0.33 115.31 120.66 3g5u h LEU 51 Ca -0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3g5u h LEU 51 Cb 0.39 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3g5u h LEU 51 CO 0.01 0.08 -0.20 0.58 0.09 0.00 0.00 178.44 179.00 3g5u h VAL 52 N 0.18 0.00 -1.01 1.22 2.07 -1.05 -2.19 116.25 115.47 3g5u h VAL 52 Ca 0.37 0.00 0.24 0.00 0.82 0.00 0.00 66.70 68.13 3g5u h VAL 52 Cb 1.18 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.84 3g5u h VAL 52 CO -0.07 0.00 0.62 1.23 0.02 0.00 0.00 177.57 179.37 3g5u h GLY 53 N -0.51 1.69 0.33 2.17 0.00 0.13 0.20 103.07 107.08 3g5u h GLY 53 Ca -0.05 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.02 3g5u h GLY 53 CO 0.06 -0.19 -0.37 -0.84 0.00 0.00 0.00 176.54 175.21 3g5u h THR 54 N 0.56 0.23 -0.75 4.70 2.02 -0.92 -1.09 112.91 117.67 3g5u h THR 54 Ca 0.62 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.90 3g5u h THR 54 Cb 1.25 0.23 -0.12 0.00 -1.74 0.00 0.00 68.15 67.78 3g5u h THR 54 CO -0.41 0.00 -0.46 0.25 0.37 0.00 0.00 175.52 175.27 3g5u h LEU 55 N -0.58 -1.62 -0.83 2.58 5.85 0.03 0.78 115.31 121.52 3g5u h LEU 55 Ca 0.03 0.28 0.20 0.00 0.84 0.00 0.00 57.88 59.23 3g5u h LEU 55 Cb 0.62 0.75 -0.13 0.00 0.37 0.00 0.00 40.66 42.27 3g5u h LEU 55 CO -0.23 -0.31 0.18 0.00 -0.34 0.00 0.00 178.44 177.74 3g5u h ALA 56 N 0.75 1.11 -0.19 1.25 0.00 -0.81 0.53 119.26 121.90 3g5u h ALA 56 Ca 0.21 0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.39 3g5u h ALA 56 Cb 0.54 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3g5u h ALA 56 CO -0.80 -0.42 -0.23 0.00 0.00 0.00 0.00 179.25 177.80 3g5u h ALA 57 N 1.73 -0.15 -0.73 0.00 0.00 0.18 -1.52 119.26 118.77 3g5u h ALA 57 Ca 0.49 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3g5u h ALA 57 Cb 0.94 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3g5u h ALA 57 CO -0.62 -0.67 0.00 -0.89 0.00 0.00 0.00 179.25 177.07 3g5u n ILE 58 N -5.37 0.00 -0.31 0.00 -0.00 0.18 -1.99 119.36 111.87 3g5u n ILE 58 Ca -0.02 1.38 0.17 0.00 -0.00 0.00 0.00 62.75 64.28 3g5u n ILE 58 Cb 0.28 -2.03 0.35 0.00 -0.00 0.00 0.00 39.64 38.24 3g5u n ILE 58 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.55 176.71 3g5u h ILE 59 N 0.00 0.21 -0.19 1.39 3.07 -1.21 0.71 117.51 121.49 3g5u h ILE 59 Ca 0.00 -0.05 0.05 0.00 1.55 0.00 0.00 64.86 66.41 3g5u h ILE 59 Cb 0.00 0.04 -0.06 0.00 -0.27 0.00 0.00 36.82 36.53 3g5u h ILE 59 CO 0.00 0.03 -0.20 -0.74 -1.05 0.00 0.00 178.15 176.19 3g5u h HIS 60 N 0.15 -0.51 -0.60 0.16 2.76 -0.84 -1.04 115.15 115.22 3g5u h HIS 60 Ca 0.62 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.85 3g5u h HIS 60 Cb 1.36 0.25 -0.04 0.00 1.55 0.00 0.00 27.41 30.54 3g5u h HIS 60 CO -0.25 -0.27 0.38 0.78 -1.30 0.00 0.00 177.93 177.26 3g5u h GLY 61 N -0.22 0.86 1.12 5.26 0.00 -0.23 0.38 103.07 110.23 3g5u h GLY 61 Ca 0.12 -0.29 0.11 0.00 0.00 0.00 0.00 47.33 47.27 3g5u h GLY 61 CO -0.32 0.25 0.34 -2.08 0.00 0.00 0.00 176.54 174.74 3g5u h VAL 62 N 0.75 0.83 0.24 4.60 2.07 -1.02 -1.51 116.25 122.21 3g5u h VAL 62 Ca 0.24 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.70 3g5u h VAL 62 Cb -0.01 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3g5u h VAL 62 CO -0.09 0.03 -0.27 0.00 0.02 0.00 0.00 177.57 177.26 3g5u h ALA 63 N 1.76 -0.55 -0.58 1.67 0.00 0.11 -1.75 119.26 119.92 3g5u h ALA 63 Ca 0.23 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.18 3g5u h ALA 63 Cb 0.69 0.40 -0.11 0.00 0.00 0.00 0.00 17.79 18.78 3g5u h ALA 63 CO -0.03 -0.84 -0.10 -0.07 0.00 0.00 0.00 179.25 178.21 3g5u h LEU 64 N -0.56 -0.45 0.00 0.00 -0.00 -1.03 0.14 115.31 113.42 3g5u h LEU 64 Ca -0.00 0.16 -0.07 0.00 -0.00 0.00 0.00 57.88 57.97 3g5u h LEU 64 Cb 0.53 0.33 -0.01 0.00 -0.00 0.00 0.00 40.66 41.50 3g5u h LEU 64 CO -0.08 -0.17 -0.45 1.55 -0.00 0.00 0.00 178.44 179.30 3g5u h PRO 65 N 0.04 0.00 -0.41 1.13 0.13 -1.48 -2.63 132.00 128.77 3g5u h PRO 65 Ca 0.29 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.45 3g5u h PRO 65 Cb 0.45 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 3g5u h PRO 65 CO -0.57 0.31 0.21 -0.07 -0.23 0.00 0.00 178.00 177.66 3g5u h LEU 66 N 0.00 0.31 -1.11 1.56 3.38 -0.40 0.32 115.31 119.36 3g5u h LEU 66 Ca -0.01 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.21 3g5u h LEU 66 Cb 1.27 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.87 3g5u h LEU 66 CO 0.04 0.22 0.62 -0.03 0.09 0.00 0.00 178.44 179.38 3g5u h MET 67 N 0.42 0.55 0.35 1.13 4.05 -0.65 -0.55 114.93 120.23 3g5u h MET 67 Ca 0.17 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.55 3g5u h MET 67 Cb 0.08 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 3g5u h MET 67 CO -0.12 0.37 -0.22 0.52 0.23 0.00 0.00 176.91 177.68 3g5u h MET 68 N 0.57 -0.52 -0.79 0.39 2.86 -0.02 -1.94 114.93 115.48 3g5u h MET 68 Ca 0.61 0.04 0.07 0.00 -2.06 0.00 0.00 59.70 58.36 3g5u h MET 68 Cb 1.23 0.12 -0.09 0.00 0.06 0.00 0.00 31.60 32.91 3g5u h MET 68 CO -0.40 -0.35 -0.47 -0.11 1.06 0.00 0.00 176.91 176.64 3g5u n LEU 69 N -3.69 -0.84 -0.29 1.22 7.94 -0.31 0.83 117.00 121.86 3g5u n LEU 69 Ca -0.07 1.50 0.09 0.00 -1.11 0.00 0.00 56.01 56.42 3g5u n LEU 69 Cb 0.23 -0.23 0.25 0.00 0.53 0.00 0.00 43.42 44.20 3g5u n LEU 69 CO 0.15 -1.19 1.05 0.40 -1.11 0.00 0.00 177.39 176.69 3g5u h ILE 70 N 0.00 0.60 -0.86 1.96 2.04 -1.30 1.54 117.51 121.49 3g5u h ILE 70 Ca 0.13 -0.16 0.17 0.00 1.00 0.00 0.00 64.86 66.00 3g5u h ILE 70 Cb 0.32 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.42 3g5u h ILE 70 CO -0.74 0.09 0.56 0.15 0.00 0.00 0.00 178.15 178.21 3g5u h PHE 71 N 0.47 0.60 0.56 1.37 3.04 0.13 -1.68 116.94 121.42 3g5u h PHE 71 Ca 0.49 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.43 3g5u h PHE 71 Cb 0.82 -0.19 0.01 0.00 2.56 0.00 0.00 35.95 39.15 3g5u h PHE 71 CO -0.14 0.19 -0.27 0.78 -2.02 0.00 0.00 178.31 176.86 3g5u h GLY 72 N 0.48 -0.78 0.38 2.40 0.00 0.32 -1.82 103.07 104.05 3g5u h GLY 72 Ca 0.44 0.29 0.18 0.00 0.00 0.00 0.00 47.33 48.24 3g5u h GLY 72 CO -0.17 -0.28 0.58 -0.55 0.00 0.00 0.00 176.54 176.12 3g5u h ASP 73 N -0.87 0.48 -0.50 0.19 3.45 -1.04 0.44 116.42 118.58 3g5u h ASP 73 Ca -0.08 0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.35 3g5u h ASP 73 Cb 0.57 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.28 3g5u h ASP 73 CO 0.13 0.21 0.01 0.00 -1.57 0.00 0.00 179.24 178.01 3g5u h MET 74 N 0.49 0.87 -0.37 3.56 -0.00 -1.34 -2.24 114.93 115.89 3g5u h MET 74 Ca 0.46 -0.27 -0.06 0.00 -0.00 0.00 0.00 59.70 59.83 3g5u h MET 74 Cb 1.02 -0.08 -0.02 0.00 -0.00 0.00 0.00 31.60 32.52 3g5u h MET 74 CO -0.19 0.90 -0.03 1.15 -0.00 0.00 0.00 176.91 178.74 3g5u h THR 75 N 0.73 1.22 0.26 -0.10 2.02 0.58 -2.14 112.91 115.48 3g5u h THR 75 Ca 0.14 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 3g5u h THR 75 Cb 0.50 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3g5u h THR 75 CO 0.02 0.31 -0.13 0.44 0.37 0.00 0.00 175.52 176.54 3g5u h ASP 76 N 0.57 -0.30 -0.91 4.18 3.32 -0.12 -1.43 116.42 121.72 3g5u h ASP 76 Ca 0.11 -0.17 0.25 0.00 0.02 0.00 0.00 57.03 57.24 3g5u h ASP 76 Cb 0.40 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 3g5u h ASP 76 CO 0.02 0.02 0.64 0.28 -1.72 0.00 0.00 179.24 178.48 3g5u h SER 77 N -0.63 0.13 -0.12 6.45 0.02 -1.31 0.48 113.55 118.58 3g5u h SER 77 Ca -0.04 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 3g5u h SER 77 Cb 0.45 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3g5u h SER 77 CO 0.06 0.04 -0.16 0.15 -1.14 0.00 0.00 176.83 175.79 3g5u h PHE 78 N 0.13 0.54 -0.00 3.45 3.57 -0.83 -2.16 116.94 121.64 3g5u h PHE 78 Ca 0.45 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 3g5u h PHE 78 Cb 1.58 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.18 3g5u h PHE 78 CO -0.00 0.63 -0.00 0.00 -2.23 0.00 0.00 178.31 176.71 3g5u h ALA 79 N 1.38 0.00 -0.71 2.41 0.00 0.10 -2.18 119.26 120.26 3g5u h ALA 79 Ca 0.08 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.79 3g5u h ALA 79 Cb 0.54 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 3g5u h ALA 79 CO 0.03 -0.18 0.30 0.77 0.00 0.00 0.00 179.25 180.18 3g5u h SER 80 N -0.62 0.33 -0.09 0.00 0.02 -1.27 0.86 113.55 112.77 3g5u h SER 80 Ca -0.00 0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 3g5u h SER 80 Cb 0.63 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 3g5u h SER 80 CO 0.00 0.16 -0.21 0.58 -1.14 0.00 0.00 176.83 176.22 3g5u h VAL 81 N 0.49 1.26 0.00 2.27 2.07 -1.44 -1.79 116.25 119.10 3g5u h VAL 81 Ca 0.37 -1.20 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 3g5u h VAL 81 Cb 0.49 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3g5u h VAL 81 CO -0.34 0.39 -0.22 1.23 0.02 0.00 0.00 177.57 178.65 3g5u h GLY 82 N 0.99 0.00 0.42 2.17 0.00 -0.25 -1.79 103.07 104.61 3g5u h GLY 82 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 3g5u h GLY 82 CO 0.04 0.00 -0.03 -0.57 0.00 0.00 0.00 176.54 175.99 3g5u h ASN 83 N 0.00 -0.06 0.77 0.19 -0.00 0.11 -0.52 115.58 116.07 3g5u h ASN 83 Ca -0.00 -0.51 -0.04 0.00 -0.00 0.00 0.00 56.30 55.75 3g5u h ASN 83 Cb 1.12 0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 39.45 3g5u h ASN 83 CO 0.03 0.50 -0.21 0.58 -0.00 0.00 0.00 177.43 178.33 3g5u h VAL 84 N -0.66 0.58 -0.58 2.57 2.07 -1.39 -0.56 116.25 118.28 3g5u h VAL 84 Ca -0.01 -1.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.43 3g5u h VAL 84 Cb 0.56 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3g5u h VAL 84 CO 0.01 0.21 0.05 0.28 0.02 0.00 0.00 177.57 178.14 3g5u h SER 85 N 0.00 0.97 -0.39 0.57 0.02 -1.22 0.19 113.55 113.69 3g5u h SER 85 Ca -0.00 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3g5u h SER 85 Cb 0.65 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3g5u h SER 85 CO 0.03 1.01 0.25 0.50 -1.14 0.00 0.00 176.83 177.48 3g5u h LYS 86 N 0.89 0.52 0.85 3.45 1.63 0.26 -2.88 116.57 121.29 3g5u h LYS 86 Ca 0.17 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.90 3g5u h LYS 86 Cb 0.48 -0.11 0.01 0.00 -0.60 0.00 0.00 32.23 32.00 3g5u h LYS 86 CO 0.02 0.36 -0.44 -0.97 -3.45 0.00 0.00 179.45 174.97 3g5u h ASN 87 N 0.52 -1.07 0.00 4.20 -0.00 -0.79 -3.45 115.58 115.00 3g5u h ASN 87 Ca 0.14 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.49 3g5u h ASN 87 Cb -0.04 0.29 0.00 0.00 -0.00 0.00 0.00 38.32 38.57 3g5u h ASN 87 CO -0.03 -0.72 0.00 -0.24 -0.00 0.00 0.00 177.43 176.44 3g5u n SER 88 N -5.28 0.00 -0.58 1.15 2.88 0.63 -4.62 113.62 107.80 3g5u n SER 88 Ca -0.15 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.36 3g5u n SER 88 Cb 0.47 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.92 3g5u n SER 88 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3g5u n THR 89 N 0.00 0.00 -2.72 2.46 -2.24 -1.26 -4.76 114.28 105.76 3g5u n THR 89 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3g5u n THR 89 Cb 0.00 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 3g5u n THR 89 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3g5u n ASN 90 N 1.01 0.02 -3.85 3.42 3.02 -1.26 -5.05 115.26 112.57 3g5u n ASN 90 Ca -0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.29 3g5u n ASN 90 Cb 0.19 0.00 -0.18 0.00 -0.61 0.00 0.00 39.78 39.18 3g5u n ASN 90 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 3g5u n MET 91 N 0.00 0.00 0.09 3.52 0.00 -1.26 -4.81 117.12 114.67 3g5u n MET 91 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.58 3g5u n MET 91 Cb 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 33.22 32.21 3g5u n MET 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3g5u h SER 92 N 9.62 -0.55 -0.95 3.17 0.87 -1.96 -2.91 113.55 120.83 3g5u h SER 92 Ca 0.02 0.07 0.15 0.00 -1.23 0.00 0.00 61.79 60.80 3g5u h SER 92 Cb 1.00 0.21 -0.08 0.00 -0.44 0.00 0.00 62.40 63.10 3g5u h SER 92 CO 1.35 -0.27 0.60 1.05 -0.53 0.00 0.00 176.83 179.03 3g5u h GLU 93 N -0.36 0.75 0.00 2.24 9.09 -2.00 0.26 114.58 124.57 3g5u h GLU 93 Ca 0.03 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.40 3g5u h GLU 93 Cb 0.39 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 3g5u h GLU 93 CO -0.12 0.50 0.00 0.00 0.05 0.00 0.00 179.01 179.43 3g5u n ALA 94 N -2.39 1.84 -0.01 1.06 0.00 -1.10 -1.41 120.51 118.50 3g5u n ALA 94 Ca 0.19 -0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.40 3g5u n ALA 94 Cb 0.48 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 3g5u n ALA 94 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3g5u n ASP 95 N -1.44 1.67 0.09 0.00 8.00 0.85 -1.28 116.55 124.44 3g5u n ASP 95 Ca 0.05 0.28 -0.00 0.00 0.71 0.00 0.00 54.79 55.83 3g5u n ASP 95 Cb 0.18 -0.57 0.30 0.00 -0.02 0.00 0.00 41.12 41.01 3g5u n ASP 95 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3g5u h LYS 96 N 0.05 0.29 0.00 -1.24 1.57 -0.42 -1.01 116.57 115.81 3g5u h LYS 96 Ca -0.38 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 3g5u h LYS 96 Cb 2.03 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.31 3g5u h LYS 96 CO 0.08 0.52 -0.18 0.00 -0.57 0.00 0.00 179.45 179.31 3g5u h ARG 97 N 0.26 0.01 -0.98 3.15 3.08 -1.31 -2.13 114.38 116.45 3g5u h ARG 97 Ca 0.04 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.14 3g5u h ARG 97 Cb 0.58 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.57 3g5u h ARG 97 CO 0.04 1.01 0.63 0.00 -1.07 0.00 0.00 179.97 180.58 3g5u h ALA 98 N -0.06 1.35 0.36 0.04 0.00 -1.19 -1.49 119.26 118.29 3g5u h ALA 98 Ca -0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3g5u h ALA 98 Cb 1.06 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3g5u h ALA 98 CO -0.02 0.43 -0.18 0.52 0.00 0.00 0.00 179.25 180.01 3g5u h MET 99 N 1.16 -0.47 0.00 0.00 2.86 -1.29 -2.00 114.93 115.18 3g5u h MET 99 Ca 0.42 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 3g5u h MET 99 Cb 0.15 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3g5u h MET 99 CO -0.17 -0.31 0.19 0.35 1.06 0.00 0.00 176.91 178.03 3g5u h PHE 100 N -0.94 0.00 0.00 -0.22 3.04 -1.41 0.28 116.94 117.68 3g5u h PHE 100 Ca -0.05 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.90 3g5u h PHE 100 Cb 0.38 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.89 3g5u h PHE 100 CO 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.31 3g5u n ALA 101 N -1.91 -0.22 0.31 2.41 0.00 -0.56 -1.65 120.51 118.89 3g5u n ALA 101 Ca -0.02 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.59 3g5u n ALA 101 Cb 0.24 0.00 0.99 0.00 0.00 0.00 0.00 19.45 20.68 3g5u n ALA 101 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3g5u h LYS 102 N 0.00 0.00 0.00 0.00 1.79 -0.66 0.68 116.57 118.38 3g5u h LYS 102 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3g5u h LYS 102 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3g5u h LYS 102 CO 0.00 0.01 0.00 -0.11 -1.08 0.00 0.00 179.45 178.27 3g5u n LEU 103 N -3.64 0.34 -0.35 2.94 7.94 0.91 -0.87 117.00 124.28 3g5u n LEU 103 Ca -0.03 0.59 0.09 0.00 -1.11 0.00 0.00 56.01 55.55 3g5u n LEU 103 Cb 0.09 -0.18 0.27 0.00 0.53 0.00 0.00 43.42 44.12 3g5u n LEU 103 CO 0.26 -0.18 1.20 1.05 -1.11 0.00 0.00 177.39 178.61 3g5u h GLU 104 N 0.00 0.83 0.35 1.96 4.11 -1.29 -0.36 114.58 120.18 3g5u h GLU 104 Ca 0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 3g5u h GLU 104 Cb 0.00 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3g5u h GLU 104 CO 0.00 0.55 -0.40 1.49 0.07 0.00 0.00 179.01 180.72 3g5u h GLU 105 N 0.85 -0.73 0.00 1.06 4.22 -0.86 -0.61 114.58 118.51 3g5u h GLU 105 Ca 0.52 0.05 0.00 0.00 0.08 0.00 0.00 59.36 60.01 3g5u h GLU 105 Cb 0.66 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3g5u h GLU 105 CO -0.32 -0.49 0.00 -1.91 -2.18 0.00 0.00 179.01 174.11 3g5u n GLU 106 N -4.80 0.17 0.13 1.92 4.07 -0.05 -0.70 120.64 121.38 3g5u n GLU 106 Ca -0.09 0.46 0.01 0.00 -0.06 0.00 0.00 57.16 57.48 3g5u n GLU 106 Cb 0.36 -1.87 0.33 0.00 -0.06 0.00 0.00 31.44 30.19 3g5u n GLU 106 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 3g5u h MET 107 N 0.00 0.16 -0.05 5.31 4.05 0.39 1.06 114.93 125.85 3g5u h MET 107 Ca 0.00 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.28 3g5u h MET 107 Cb 0.29 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 3g5u h MET 107 CO 0.00 0.45 -0.30 1.15 0.23 0.00 0.00 176.91 178.44 3g5u h THR 108 N 0.14 1.45 -0.82 -0.77 2.02 0.34 -2.32 112.91 112.95 3g5u h THR 108 Ca 0.02 -1.76 0.07 0.00 0.77 0.00 0.00 66.41 65.51 3g5u h THR 108 Cb 0.61 2.43 -0.06 0.00 -1.74 0.00 0.00 68.15 69.38 3g5u h THR 108 CO 0.04 0.50 0.49 0.74 0.37 0.00 0.00 175.52 177.67 3g5u h THR 109 N -0.25 0.99 0.06 3.16 2.02 -0.48 -1.24 112.91 117.17 3g5u h THR 109 Ca -0.02 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 3g5u h THR 109 Cb 0.97 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3g5u h THR 109 CO 0.06 0.16 -0.03 1.88 0.37 0.00 0.00 175.52 177.96 3g5u h TYR 110 N 0.88 -0.07 -0.29 3.16 0.05 0.12 -1.55 116.97 119.26 3g5u h TYR 110 Ca 0.37 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 59.20 3g5u h TYR 110 Cb 0.24 0.02 -0.08 0.00 1.01 0.00 0.00 36.73 37.93 3g5u h TYR 110 CO -0.05 -0.04 -0.50 0.00 -1.05 0.00 0.00 178.16 176.53 3g5u h ALA 111 N 0.85 -0.69 0.00 3.88 0.00 -0.69 0.22 119.26 122.83 3g5u h ALA 111 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g5u h ALA 111 Cb 0.07 0.98 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3g5u h ALA 111 CO 0.01 -0.99 0.00 1.88 0.00 0.00 0.00 179.25 180.15 3g5u h TYR 112 N -0.45 0.00 0.00 0.00 0.99 -1.17 -1.26 116.97 115.09 3g5u h TYR 112 Ca 0.08 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 3g5u h TYR 112 Cb 0.63 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.35 3g5u h TYR 112 CO -0.62 0.00 -0.09 0.10 -0.00 0.00 0.00 178.16 177.55 3g5u h TYR 113 N 0.00 0.00 -0.94 4.88 -0.00 0.44 -1.98 116.97 119.37 3g5u h TYR 113 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 58.73 58.82 3g5u h TYR 113 Cb 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 36.79 3g5u h TYR 113 CO 0.00 0.28 0.60 0.10 -0.00 0.00 0.00 178.16 179.15 3g5u h TYR 114 N -1.00 1.06 0.00 0.10 -0.00 -1.14 -2.03 116.97 113.97 3g5u h TYR 114 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.75 3g5u h TYR 114 Cb 0.32 -0.35 0.00 0.00 -0.00 0.00 0.00 36.73 36.71 3g5u h TYR 114 CO 0.05 0.51 0.00 2.41 -0.00 0.00 0.00 178.16 181.13 3g5u n THR 115 N -4.53 0.00 -0.11 -0.90 -1.04 -0.48 0.11 114.28 107.34 3g5u n THR 115 Ca 0.15 0.46 -0.02 0.00 -2.04 0.00 0.00 64.05 62.60 3g5u n THR 115 Cb 0.26 -1.34 -0.02 0.00 -1.82 0.00 0.00 70.33 67.41 3g5u n THR 115 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3g5u n GLY 116 N 0.00 -0.65 0.00 3.41 0.00 -0.74 -0.79 105.19 106.42 3g5u n GLY 116 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3g5u n GLY 116 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3g5u n ILE 117 N -4.33 0.00 0.00 -0.61 2.08 -0.76 -1.62 119.36 114.12 3g5u n ILE 117 Ca 0.01 1.26 0.00 0.00 0.56 0.00 0.00 62.75 64.58 3g5u n ILE 117 Cb 0.07 -2.25 0.00 0.00 -0.75 0.00 0.00 39.64 36.71 3g5u n ILE 117 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3g5u n GLY 118 N -0.33 -2.31 0.26 7.39 0.00 0.31 0.20 105.19 110.72 3g5u n GLY 118 Ca 0.00 0.44 0.04 0.00 0.00 0.00 0.00 46.02 46.50 3g5u n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5u h ALA 119 N -0.76 0.88 -0.99 4.61 0.00 -1.28 -2.11 119.26 119.62 3g5u h ALA 119 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3g5u h ALA 119 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3g5u h ALA 119 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.33 3g5u n GLY 120 N -1.35 -3.23 0.40 0.00 0.00 0.55 -1.81 105.19 99.74 3g5u n GLY 120 Ca 0.13 0.57 -0.12 0.00 0.00 0.00 0.00 46.02 46.60 3g5u n GLY 120 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3g5u h VAL 121 N 0.00 0.00 -0.72 1.61 -1.51 0.18 -1.80 116.25 114.02 3g5u h VAL 121 Ca 0.00 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.53 3g5u h VAL 121 Cb 0.00 0.00 -0.09 0.00 -2.13 0.00 0.00 31.29 29.07 3g5u h VAL 121 CO 0.00 0.00 -0.42 -0.11 -1.23 0.00 0.00 177.57 175.81 3g5u n LEU 122 N -5.02 -0.76 0.18 4.19 7.94 -0.87 0.70 117.00 123.37 3g5u n LEU 122 Ca -0.04 1.32 -0.16 0.00 -1.11 0.00 0.00 56.01 56.03 3g5u n LEU 122 Cb 0.30 -0.19 -0.08 0.00 0.53 0.00 0.00 43.42 43.99 3g5u n LEU 122 CO 0.02 -1.06 0.59 0.40 -1.11 0.00 0.00 177.39 176.23 3g5u h ILE 123 N 0.00 0.16 0.00 1.96 1.08 -0.79 -2.60 117.51 117.32 3g5u h ILE 123 Ca 0.11 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.52 3g5u h ILE 123 Cb 0.29 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.19 3g5u h ILE 123 CO -0.67 0.00 -0.32 -0.37 -0.69 0.00 0.00 178.15 176.10 3g5u h VAL 124 N -0.75 0.69 0.69 1.67 -1.51 0.06 -2.48 116.25 114.62 3g5u h VAL 124 Ca -0.01 -1.49 -0.03 0.00 -1.23 0.00 0.00 66.70 63.94 3g5u h VAL 124 Cb 0.72 1.98 0.01 0.00 -2.13 0.00 0.00 31.29 31.87 3g5u h VAL 124 CO -0.16 0.32 -0.33 0.00 -1.23 0.00 0.00 177.57 176.17 3g5u h ALA 125 N 1.68 -0.92 -1.16 5.19 0.00 0.31 0.40 119.26 124.76 3g5u h ALA 125 Ca -0.00 -0.22 0.34 0.00 0.00 0.00 0.00 54.91 55.03 3g5u h ALA 125 Cb 0.96 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 3g5u h ALA 125 CO 0.04 -0.90 0.74 -0.92 0.00 0.00 0.00 179.25 178.21 3g5u h TYR 126 N -1.15 0.59 0.18 0.00 3.20 -1.44 0.24 116.97 118.60 3g5u h TYR 126 Ca -0.09 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 3g5u h TYR 126 Cb 0.74 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.85 3g5u h TYR 126 CO 0.00 -0.06 -0.09 0.82 -1.64 0.00 0.00 178.16 177.19 3g5u h ILE 127 N 0.25 0.92 -0.01 1.81 1.08 -0.95 -2.24 117.51 118.37 3g5u h ILE 127 Ca 0.69 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 3g5u h ILE 127 Cb 1.97 1.39 -0.00 0.00 -3.07 0.00 0.00 36.82 37.10 3g5u h ILE 127 CO -0.35 0.18 0.01 0.06 -0.69 0.00 0.00 178.15 177.36 3g5u h GLN 128 N -0.67 0.00 0.00 2.37 3.07 0.17 0.83 115.11 120.88 3g5u h GLN 128 Ca -0.03 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.51 3g5u h GLN 128 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.01 3g5u h GLN 128 CO 0.04 0.00 -0.97 0.28 0.09 0.00 0.00 178.83 178.27 3g5u h VAL 129 N 0.00 1.69 0.00 1.86 2.07 -1.32 -2.07 116.25 118.47 3g5u h VAL 129 Ca 0.00 -3.29 -0.01 0.00 0.82 0.00 0.00 66.70 64.23 3g5u h VAL 129 Cb 0.02 2.78 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 3g5u h VAL 129 CO -0.00 0.94 -0.03 0.28 0.02 0.00 0.00 177.57 178.78 3g5u h SER 130 N 0.00 0.00 0.19 0.57 0.02 -0.22 -1.18 113.55 112.93 3g5u h SER 130 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3g5u h SER 130 Cb 1.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.25 3g5u h SER 130 CO 0.13 0.03 -0.09 0.15 -1.14 0.00 0.00 176.83 175.91 3g5u h PHE 131 N 0.00 -0.23 0.00 3.45 -0.00 -0.71 -2.37 116.94 117.07 3g5u h PHE 131 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.96 3g5u h PHE 131 Cb 0.17 0.08 0.00 0.00 -0.00 0.00 0.00 35.95 36.20 3g5u h PHE 131 CO 0.00 -0.15 0.00 1.87 -0.00 0.00 0.00 178.31 180.03 3g5u n TRP 132 N -2.80 0.00 -0.04 0.41 -0.00 -0.47 -1.64 117.44 112.91 3g5u n TRP 132 Ca -0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.32 3g5u n TRP 132 Cb 0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 31.31 31.32 3g5u n TRP 132 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3g5u h LEU 134 N -0.02 -1.12 0.00 0.00 6.46 -1.28 1.17 115.31 120.52 3g5u h LEU 134 Ca -0.02 0.25 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 3g5u h LEU 134 Cb 0.99 0.60 0.00 0.00 -0.73 0.00 0.00 40.66 41.52 3g5u h LEU 134 CO 0.08 -0.29 0.00 0.00 -0.62 0.00 0.00 178.44 177.61 3g5u n ALA 135 N -3.28 0.00 -0.14 1.25 0.00 -0.65 -2.07 120.51 115.63 3g5u n ALA 135 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.60 3g5u n ALA 135 Cb 0.38 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.00 3g5u n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g5u n ALA 136 N -3.00 0.29 -0.47 0.00 0.00 -0.72 -0.32 120.51 116.28 3g5u n ALA 136 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3g5u n ALA 136 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3g5u n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g5u n GLY 137 N -1.17 -3.06 0.35 0.00 0.00 0.40 -0.49 105.19 101.21 3g5u n GLY 137 Ca 0.12 0.36 0.08 0.00 0.00 0.00 0.00 46.02 46.58 3g5u n GLY 137 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g5u h ARG 138 N 0.00 0.85 -0.76 1.61 3.08 -0.09 -0.82 114.38 118.25 3g5u h ARG 138 Ca 0.00 -0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.08 3g5u h ARG 138 Cb 0.00 -0.19 -0.07 0.00 0.08 0.00 0.00 29.97 29.79 3g5u h ARG 138 CO 0.00 0.56 0.43 1.96 -1.07 0.00 0.00 179.97 181.85 3g5u h GLN 139 N 0.88 0.72 0.06 0.04 1.08 -1.09 -1.65 115.11 115.15 3g5u h GLN 139 Ca 0.51 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.66 3g5u h GLN 139 Cb 0.61 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3g5u h GLN 139 CO -0.31 0.48 -0.03 0.82 -0.95 0.00 0.00 178.83 178.85 3g5u h ILE 140 N 0.75 1.28 -0.89 2.54 1.08 0.59 -1.76 117.51 121.08 3g5u h ILE 140 Ca 0.36 -1.45 0.10 0.00 -0.39 0.00 0.00 64.86 63.48 3g5u h ILE 140 Cb 0.29 2.18 -0.12 0.00 -3.07 0.00 0.00 36.82 36.10 3g5u h ILE 140 CO -0.22 0.34 -0.46 1.57 -0.69 0.00 0.00 178.15 178.69 3g5u n HIS 141 N -4.81 -0.24 0.12 1.37 -0.00 -0.67 0.17 115.22 111.16 3g5u n HIS 141 Ca -0.08 1.11 -0.16 0.00 0.46 0.00 0.00 57.72 59.05 3g5u n HIS 141 Cb 0.31 -0.67 -0.09 0.00 -0.12 0.00 0.00 29.99 29.42 3g5u n HIS 141 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 3g5u h LYS 142 N 0.00 -0.72 0.00 1.57 1.63 -1.33 -1.71 116.57 116.01 3g5u h LYS 142 Ca 0.21 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 3g5u h LYS 142 Cb 0.43 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 3g5u h LYS 142 CO -0.86 -0.48 0.00 -0.89 -3.45 0.00 0.00 179.45 173.77 3g5u n ILE 143 N -5.49 0.00 -0.03 2.00 2.08 0.45 -1.59 119.36 116.78 3g5u n ILE 143 Ca -0.08 1.16 -0.01 0.00 0.56 0.00 0.00 62.75 64.38 3g5u n ILE 143 Cb 0.41 -1.79 -0.01 0.00 -0.75 0.00 0.00 39.64 37.51 3g5u n ILE 143 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3g5u n ARG 144 N -1.47 -0.03 -0.23 0.38 3.00 0.45 0.68 116.66 119.44 3g5u n ARG 144 Ca 0.00 0.16 -0.06 0.00 -0.00 0.00 0.00 57.85 57.95 3g5u n ARG 144 Cb 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 32.46 32.27 3g5u n ARG 144 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3g5u h GLN 145 N 0.00 0.87 -0.09 -0.14 4.20 -0.89 -0.83 115.11 118.24 3g5u h GLN 145 Ca 0.01 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.67 3g5u h GLN 145 Cb 0.03 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3g5u h GLN 145 CO -0.07 0.61 -0.04 0.87 -0.67 0.00 0.00 178.83 179.54 3g5u h LYS 146 N 0.88 -0.03 -0.03 1.46 1.79 0.13 -2.05 116.57 118.72 3g5u h LYS 146 Ca 0.23 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.71 3g5u h LYS 146 Cb -0.05 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.60 3g5u h LYS 146 CO -0.05 -0.02 -0.00 0.35 -1.08 0.00 0.00 179.45 178.65 3g5u h PHE 147 N -0.03 -0.01 -0.44 -1.35 -0.00 -0.93 0.36 116.94 114.54 3g5u h PHE 147 Ca 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 57.97 58.07 3g5u h PHE 147 Cb 0.10 0.01 -0.08 0.00 -0.00 0.00 0.00 35.95 35.98 3g5u h PHE 147 CO -0.15 -0.01 -0.51 0.74 -0.00 0.00 0.00 178.31 178.38 3g5u h PHE 148 N 0.01 -1.57 0.00 0.41 -1.00 -0.92 0.45 116.94 114.32 3g5u h PHE 148 Ca 0.01 0.08 -0.04 0.00 2.81 0.00 0.00 57.97 60.84 3g5u h PHE 148 Cb 0.02 0.74 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 3g5u h PHE 148 CO -0.10 -0.43 -0.18 1.25 -1.61 0.00 0.00 178.31 177.24 3g5u h HIS 149 N -0.31 0.00 0.56 -0.55 -0.00 -1.27 -2.20 115.15 111.37 3g5u h HIS 149 Ca 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.42 3g5u h HIS 149 Cb 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.93 3g5u h HIS 149 CO -0.76 0.18 -0.27 0.00 -0.00 0.00 0.00 177.93 177.09 3g5u h ALA 150 N 1.82 -1.03 -0.46 5.26 0.00 0.30 -2.17 119.26 122.97 3g5u h ALA 150 Ca -0.00 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3g5u h ALA 150 Cb 0.36 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 3g5u h ALA 150 CO 0.02 -0.98 -0.40 0.82 0.00 0.00 0.00 179.25 178.71 3g5u h ILE 151 N -0.86 0.00 0.00 0.00 1.08 -0.17 1.21 117.51 118.77 3g5u h ILE 151 Ca -0.08 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 3g5u h ILE 151 Cb 0.57 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 3g5u h ILE 151 CO 0.13 0.00 0.00 0.23 -0.69 0.00 0.00 178.15 177.82 3g5u n MET 152 N -4.58 0.00 0.00 2.37 2.81 -0.84 -0.18 117.12 116.70 3g5u n MET 152 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 3g5u n MET 152 Cb 0.22 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 3g5u n MET 152 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3g5u n ASN 153 N -0.74 0.72 0.00 7.83 2.85 0.41 -4.63 115.26 121.69 3g5u n ASN 153 Ca 0.00 -0.37 0.00 0.00 -0.11 0.00 0.00 54.58 54.10 3g5u n ASN 153 Cb 0.00 0.88 0.00 0.00 1.24 0.00 0.00 39.78 41.90 3g5u n ASN 153 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 3g5u n GLN 154 N -0.95 0.00 0.00 1.20 7.27 0.75 -4.51 117.38 121.14 3g5u n GLN 154 Ca 0.00 0.18 0.00 0.00 0.07 0.00 0.00 57.00 57.25 3g5u n GLN 154 Cb 0.00 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.15 3g5u n GLN 154 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3g5u n GLU 155 N -1.18 0.00 0.00 3.69 4.71 -1.26 -3.03 120.64 123.57 3g5u n GLU 155 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3g5u n GLU 155 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 3g5u n GLU 155 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 3g5u n ILE 156 N 0.00 0.02 -0.08 -3.67 -0.00 -1.26 -1.05 119.36 113.31 3g5u n ILE 156 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 62.75 62.67 3g5u n ILE 156 Cb 0.00 -0.18 -0.13 0.00 -0.00 0.00 0.00 39.64 39.33 3g5u n ILE 156 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3g5u n GLY 157 N 0.62 -0.83 0.00 7.39 0.00 -1.17 -2.22 105.19 108.99 3g5u n GLY 157 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.75 3g5u n GLY 157 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3g5u n TRP 158 N -2.60 0.00 0.00 1.61 -0.00 -0.22 0.13 117.44 116.36 3g5u n TRP 158 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.24 3g5u n TRP 158 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.33 3g5u n TRP 158 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3g5u n PHE 159 N -0.78 0.00 -0.32 5.87 7.35 -1.26 -4.73 117.46 123.59 3g5u n PHE 159 Ca 0.02 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.92 3g5u n PHE 159 Cb 0.01 0.15 0.41 0.00 0.35 0.00 0.00 39.48 40.40 3g5u n PHE 159 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3g5u h ASP 160 N 0.00 0.05 0.00 -2.13 5.19 0.75 -3.44 116.42 116.84 3g5u h ASP 160 Ca 0.00 0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 3g5u h ASP 160 Cb 0.31 0.30 0.00 0.00 0.18 0.00 0.00 39.33 40.13 3g5u h ASP 160 CO 0.00 -0.29 0.00 1.33 -3.12 0.00 0.00 179.24 177.16 3g5u n VAL 161 N -5.28 0.00 -1.99 -1.35 0.24 0.34 -4.94 118.33 105.35 3g5u n VAL 161 Ca 0.28 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.58 3g5u n VAL 161 Cb 0.93 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 3g5u n VAL 161 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3g5u n HIS 162 N 0.00 -4.54 0.22 6.34 8.25 -1.26 -4.62 115.22 119.60 3g5u n HIS 162 Ca 0.00 2.73 0.12 0.00 -0.26 0.00 0.00 57.72 60.31 3g5u n HIS 162 Cb 0.00 -3.59 0.64 0.00 1.12 0.00 0.00 29.99 28.16 3g5u n HIS 162 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3g5u h ASP 163 N 3.94 0.00 0.00 0.41 5.19 -1.95 -3.43 116.42 120.58 3g5u h ASP 163 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3g5u h ASP 163 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3g5u h ASP 163 CO 0.00 0.00 0.00 0.52 -3.12 0.00 0.00 179.24 176.64 3g5u n VAL 164 N -2.41 0.00 -0.07 -1.35 0.31 -1.26 -3.88 118.33 109.66 3g5u n VAL 164 Ca -0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.25 3g5u n VAL 164 Cb 0.18 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.09 3g5u n VAL 164 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3g5u n GLY 165 N -0.72 -0.66 0.43 2.92 0.00 -1.26 -2.18 105.19 103.74 3g5u n GLY 165 Ca 0.00 -0.25 0.23 0.00 0.00 0.00 0.00 46.02 46.00 3g5u n GLY 165 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3g5u h GLU 166 N -0.89 0.00 0.00 1.61 4.22 -1.94 -1.88 114.58 115.70 3g5u h GLU 166 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3g5u h GLU 166 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3g5u h GLU 166 CO 0.00 0.00 0.00 -0.11 -2.18 0.00 0.00 179.01 176.72 3g5u n LEU 167 N -3.47 1.05 -0.34 1.64 0.00 -1.13 -1.53 117.00 113.22 3g5u n LEU 167 Ca 0.12 0.41 0.16 0.00 0.00 0.00 0.00 56.01 56.70 3g5u n LEU 167 Cb 0.93 -0.18 0.31 0.00 0.00 0.00 0.00 43.42 44.48 3g5u n LEU 167 CO 0.25 -0.18 0.81 -0.46 0.00 0.00 0.00 177.39 177.80 3g5u n ASN 168 N -1.03 -0.10 -0.13 1.96 6.94 -0.92 0.33 115.26 122.31 3g5u n ASN 168 Ca 0.00 1.69 -0.09 0.00 -0.02 0.00 0.00 54.58 56.16 3g5u n ASN 168 Cb 0.00 -0.63 -0.04 0.00 -2.36 0.00 0.00 39.78 36.76 3g5u n ASN 168 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3g5u h THR 169 N 0.00 0.14 0.00 5.53 2.02 -1.43 0.55 112.91 119.72 3g5u h THR 169 Ca 0.62 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.76 3g5u h THR 169 Cb 1.29 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3g5u h THR 169 CO -0.93 0.00 -0.17 0.08 0.37 0.00 0.00 175.52 174.87 3g5u h ARG 170 N -0.30 0.00 0.03 6.66 0.11 0.66 -1.41 114.38 120.14 3g5u h ARG 170 Ca 0.15 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.25 3g5u h ARG 170 Cb 0.57 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.60 3g5u h ARG 170 CO -0.58 0.17 -0.52 1.25 0.10 0.00 0.00 179.97 180.39 3g5u h LEU 171 N 0.00 -1.60 0.59 0.08 7.12 0.36 -0.36 115.31 121.50 3g5u h LEU 171 Ca -0.00 0.18 -0.03 0.00 0.13 0.00 0.00 57.88 58.16 3g5u h LEU 171 Cb 0.30 0.60 0.01 0.00 -0.53 0.00 0.00 40.66 41.04 3g5u h LEU 171 CO 0.02 -0.52 -0.28 0.74 -0.13 0.00 0.00 178.44 178.27 3g5u h THR 172 N -0.68 0.07 -0.75 1.05 2.02 -1.03 -2.12 112.91 111.47 3g5u h THR 172 Ca 0.01 -0.42 0.07 0.00 0.77 0.00 0.00 66.41 66.83 3g5u h THR 172 Cb 0.71 0.11 -0.09 0.00 -1.74 0.00 0.00 68.15 67.14 3g5u h THR 172 CO -0.33 0.01 -0.44 0.47 0.37 0.00 0.00 175.52 175.60 3g5u n ASP 173 N -5.31 -0.80 0.43 4.18 9.92 -0.56 -1.75 116.55 122.66 3g5u n ASP 173 Ca -0.10 1.56 -0.18 0.00 -0.53 0.00 0.00 54.79 55.54 3g5u n ASP 173 Cb 0.32 -0.29 -0.09 0.00 -0.64 0.00 0.00 41.12 40.43 3g5u n ASP 173 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3g5u h ASP 174 N 0.00 -0.93 -0.77 -2.24 3.45 -1.17 -2.33 116.42 112.44 3g5u h ASP 174 Ca 0.12 0.02 0.14 0.00 0.43 0.00 0.00 57.03 57.74 3g5u h ASP 174 Cb 0.31 0.24 -0.14 0.00 -0.56 0.00 0.00 39.33 39.18 3g5u h ASP 174 CO -0.71 -0.60 -0.25 0.55 -1.57 0.00 0.00 179.24 176.66 3g5u n VAL 175 N -5.53 -0.37 0.04 -1.35 3.14 -0.80 0.30 118.33 113.77 3g5u n VAL 175 Ca -0.14 1.78 -0.12 0.00 -2.96 0.00 0.00 64.34 62.90 3g5u n VAL 175 Cb 0.44 -2.41 -0.07 0.00 -1.06 0.00 0.00 33.84 30.74 3g5u n VAL 175 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 3g5u h SER 176 N 0.00 0.00 -0.23 6.55 0.02 -1.22 -1.92 113.55 116.76 3g5u h SER 176 Ca 0.32 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.34 3g5u h SER 176 Cb 0.51 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 3g5u h SER 176 CO -0.78 0.00 0.31 0.11 -1.14 0.00 0.00 176.83 175.34 3g5u h LYS 177 N 0.01 0.00 0.26 3.45 1.57 0.42 0.66 116.57 122.93 3g5u h LYS 177 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3g5u h LYS 177 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3g5u h LYS 177 CO -0.00 0.00 -0.12 0.82 -0.57 0.00 0.00 179.45 179.57 3g5u h ILE 178 N 0.00 0.78 -0.41 1.86 1.08 -0.56 -2.09 117.51 118.18 3g5u h ILE 178 Ca 0.11 -0.66 0.05 0.00 -0.39 0.00 0.00 64.86 63.97 3g5u h ILE 178 Cb 0.73 1.13 -0.07 0.00 -3.07 0.00 0.00 36.82 35.54 3g5u h ILE 178 CO -0.00 0.13 -0.48 -1.13 -0.69 0.00 0.00 178.15 175.98 3g5u h ASN 179 N -0.71 -1.62 -0.96 1.72 -0.73 0.67 0.32 115.58 114.26 3g5u h ASN 179 Ca -0.04 0.22 0.22 0.00 1.87 0.00 0.00 56.30 58.57 3g5u h ASN 179 Cb 0.48 0.67 -0.12 0.00 0.27 0.00 0.00 38.32 39.63 3g5u h ASN 179 CO 0.06 -0.33 0.52 -0.33 -0.37 0.00 0.00 177.43 176.98 3g5u h GLU 180 N -0.30 0.54 -0.74 6.67 5.08 -1.31 0.19 114.58 124.70 3g5u h GLU 180 Ca 0.07 -0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.55 3g5u h GLU 180 Cb 0.49 -0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.52 3g5u h GLU 180 CO -0.54 0.36 0.24 0.78 -1.00 0.00 0.00 179.01 178.85 3g5u h GLY 181 N 0.55 1.09 0.43 -3.84 0.00 0.34 -2.68 103.07 98.96 3g5u h GLY 181 Ca 0.60 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.81 3g5u h GLY 181 CO -0.47 -0.15 -0.18 -2.22 0.00 0.00 0.00 176.54 173.51 3g5u h ILE 182 N 0.36 0.14 0.00 2.60 1.08 0.04 -2.54 117.51 119.20 3g5u h ILE 182 Ca 0.42 -0.66 -0.05 0.00 -0.39 0.00 0.00 64.86 64.18 3g5u h ILE 182 Cb 0.68 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.66 3g5u h ILE 182 CO -0.45 0.04 -0.22 1.23 -0.69 0.00 0.00 178.15 178.05 3g5u h GLY 183 N -1.10 0.00 0.41 5.37 0.00 -1.60 -2.65 103.07 103.51 3g5u h GLY 183 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3g5u h GLY 183 CO 0.09 0.00 -0.08 -0.55 0.00 0.00 0.00 176.54 176.00 3g5u h ASP 184 N 0.00 0.09 -1.01 0.19 3.32 -1.63 -2.70 116.42 114.68 3g5u h ASP 184 Ca -0.00 -0.67 0.35 0.00 0.02 0.00 0.00 57.03 56.73 3g5u h ASP 184 Cb 0.45 -0.03 -0.16 0.00 0.22 0.00 0.00 39.33 39.81 3g5u h ASP 184 CO 0.03 0.75 0.57 0.50 -1.72 0.00 0.00 179.24 179.37 3g5u h LYS 185 N -0.55 0.22 0.49 3.56 3.64 -1.16 1.53 116.57 124.31 3g5u h LYS 185 Ca -0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3g5u h LYS 185 Cb 0.74 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3g5u h LYS 185 CO 0.02 0.15 -0.37 -0.84 -2.27 0.00 0.00 179.45 176.13 3g5u h ILE 186 N 0.23 0.24 -0.95 2.00 -0.00 -1.24 -1.87 117.51 115.92 3g5u h ILE 186 Ca 0.77 0.00 0.12 0.00 -0.00 0.00 0.00 64.86 65.75 3g5u h ILE 186 Cb 1.86 0.24 -0.14 0.00 -0.00 0.00 0.00 36.82 38.79 3g5u h ILE 186 CO -0.64 0.00 -0.44 0.61 -0.00 0.00 0.00 178.15 177.68 3g5u n GLY 187 N -1.49 -2.16 0.00 0.16 0.00 0.52 -1.85 105.19 100.37 3g5u n GLY 187 Ca -0.11 1.09 0.00 0.00 0.00 0.00 0.00 46.02 47.00 3g5u n GLY 187 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3g5u n MET 188 N -5.32 0.00 -0.05 1.61 0.00 -0.68 -1.89 117.12 110.79 3g5u n MET 188 Ca 0.07 0.68 -0.01 0.00 -0.00 0.00 0.00 57.70 58.44 3g5u n MET 188 Cb 0.33 -1.37 -0.01 0.00 0.00 0.00 0.00 33.22 32.17 3g5u n MET 188 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3g5u n PHE 189 N -2.16 -0.05 0.00 1.12 -0.00 -0.75 0.14 117.46 115.75 3g5u n PHE 189 Ca 0.00 0.15 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 3g5u n PHE 189 Cb 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 39.48 39.18 3g5u n PHE 189 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3g5u n PHE 190 N -3.18 0.00 -0.30 -5.13 7.35 -0.87 -0.77 117.46 114.55 3g5u n PHE 190 Ca 0.00 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.77 3g5u n PHE 190 Cb 0.03 -0.40 0.30 0.00 0.35 0.00 0.00 39.48 39.76 3g5u n PHE 190 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 3g5u h GLN 191 N 0.00 0.85 -1.00 -4.13 1.08 0.19 0.13 115.11 112.22 3g5u h GLN 191 Ca 0.00 -0.05 0.26 0.00 -1.45 0.00 0.00 58.65 57.41 3g5u h GLN 191 Cb 0.00 -0.19 -0.07 0.00 -0.05 0.00 0.00 27.48 27.17 3g5u h GLN 191 CO 0.00 0.56 0.67 0.00 -0.95 0.00 0.00 178.83 179.11 3g5u h ALA 192 N 1.56 2.43 0.00 3.87 0.00 0.25 -0.36 119.26 127.01 3g5u h ALA 192 Ca 0.44 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.18 3g5u h ALA 192 Cb 0.50 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3g5u h ALA 192 CO -0.21 -0.77 -1.43 0.52 0.00 0.00 0.00 179.25 177.36 3g5u h MET 193 N 0.29 0.00 -0.16 0.00 2.86 0.35 -1.27 114.93 116.99 3g5u h MET 193 Ca 0.53 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 58.06 3g5u h MET 193 Cb 1.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.19 3g5u h MET 193 CO -0.19 0.35 -0.38 0.00 1.06 0.00 0.00 176.91 177.76 3g5u h ALA 194 N 1.32 1.04 0.12 6.32 0.00 -0.50 -0.75 119.26 126.82 3g5u h ALA 194 Ca -0.18 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 3g5u h ALA 194 Cb 1.67 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3g5u h ALA 194 CO 0.06 0.60 -0.06 0.00 0.00 0.00 0.00 179.25 179.84 3g5u h THR 195 N 0.30 0.89 0.03 0.00 1.03 -1.21 -1.80 112.91 112.16 3g5u h THR 195 Ca 0.03 -1.27 0.00 0.00 -0.01 0.00 0.00 66.41 65.16 3g5u h THR 195 Cb 0.81 1.54 -0.01 0.00 -1.07 0.00 0.00 68.15 69.43 3g5u h THR 195 CO 0.07 0.25 -0.09 0.15 -0.01 0.00 0.00 175.52 175.88 3g5u h PHE 196 N -0.89 -0.27 -0.69 0.00 -0.00 -1.19 -1.03 116.94 112.87 3g5u h PHE 196 Ca -0.02 0.01 -0.01 0.00 -0.00 0.00 0.00 57.97 57.95 3g5u h PHE 196 Cb 0.53 0.11 -0.03 0.00 -0.00 0.00 0.00 35.95 36.56 3g5u h PHE 196 CO 0.10 -0.11 0.40 0.74 -0.00 0.00 0.00 178.31 179.44 3g5u h PHE 197 N -0.14 0.91 0.00 0.41 0.04 -1.31 -1.72 116.94 115.14 3g5u h PHE 197 Ca -0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3g5u h PHE 197 Cb 0.14 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 37.99 3g5u h PHE 197 CO -0.28 0.62 0.00 0.41 -0.60 0.00 0.00 178.31 178.45 3g5u n GLY 198 N -1.28 -3.06 0.33 -1.45 0.00 -0.67 0.22 105.19 99.28 3g5u n GLY 198 Ca 0.07 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.29 3g5u n GLY 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g5u n GLY 199 N -0.63 -0.50 0.00 -0.02 0.00 -0.41 -1.23 105.19 102.41 3g5u n GLY 199 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3g5u n GLY 199 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3g5u n PHE 200 N -2.45 0.00 0.00 1.61 7.35 -0.63 -1.72 117.46 121.62 3g5u n PHE 200 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 3g5u n PHE 200 Cb 1.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.83 3g5u n PHE 200 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3g5u n ILE 201 N 0.00 0.00 -0.00 -2.13 -0.00 0.61 0.17 119.36 118.01 3g5u n ILE 201 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 62.75 62.58 3g5u n ILE 201 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 39.64 39.52 3g5u n ILE 201 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.55 176.71 3g5u h ILE 202 N 0.00 1.53 0.00 1.39 -0.00 -1.30 -1.66 117.51 117.48 3g5u h ILE 202 Ca 0.00 -2.16 0.00 0.00 -0.00 0.00 0.00 64.86 62.70 3g5u h ILE 202 Cb 0.00 2.87 0.00 0.00 -0.00 0.00 0.00 36.82 39.69 3g5u h ILE 202 CO 0.00 0.60 0.00 0.61 -0.00 0.00 0.00 178.15 179.36 3g5u n GLY 203 N 1.25 0.00 1.76 0.16 0.00 0.46 -2.04 105.19 106.78 3g5u n GLY 203 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3g5u n GLY 203 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3g5u n PHE 204 N -0.58 -0.77 -0.23 1.61 7.35 -0.49 -4.51 117.46 119.84 3g5u n PHE 204 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3g5u n PHE 204 Cb 0.00 0.44 0.04 0.00 0.35 0.00 0.00 39.48 40.31 3g5u n PHE 204 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 3g5u n THR 205 N -2.32 -0.31 -3.12 -2.13 -1.04 -0.62 -3.03 114.28 101.71 3g5u n THR 205 Ca 0.00 1.41 -0.43 0.00 -2.04 0.00 0.00 64.05 62.99 3g5u n THR 205 Cb 0.00 -1.88 -0.06 0.00 -1.82 0.00 0.00 70.33 66.56 3g5u n THR 205 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3g5u s ARG 206 N -5.61 3.21 0.00 -2.82 3.00 -0.86 -4.01 118.95 111.85 3g5u s ARG 206 Ca -0.08 -0.59 0.00 0.00 0.00 0.00 0.00 55.73 55.05 3g5u s ARG 206 Cb 0.13 -4.02 0.00 0.00 0.00 0.00 0.00 34.95 31.06 3g5u s ARG 206 CO 0.44 -1.12 0.00 0.41 0.00 0.00 0.00 175.30 175.03 3g5u n GLY 207 N 5.10 2.62 3.48 -3.53 0.00 -1.22 -2.63 105.19 109.01 3g5u n GLY 207 Ca -0.04 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 3g5u n GLY 207 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3g5u n TRP 208 N 0.00 -2.67 0.00 1.61 8.01 -1.17 -1.42 117.44 121.80 3g5u n TRP 208 Ca 0.00 1.11 0.00 0.00 -1.31 0.00 0.00 57.50 57.30 3g5u n TRP 208 Cb 0.00 -2.28 0.00 0.00 -2.01 0.00 0.00 31.31 27.02 3g5u n TRP 208 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3g5u n LYS 209 N -0.70 0.00 -0.10 -0.99 4.01 -1.26 -4.67 118.16 114.44 3g5u n LYS 209 Ca -0.11 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.48 3g5u n LYS 209 Cb 0.66 -0.90 -0.12 0.00 -0.51 0.00 0.00 35.03 34.16 3g5u n LYS 209 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 3g5u n LEU 210 N 0.00 2.59 0.18 -0.35 -0.00 -0.51 -0.98 117.00 117.93 3g5u n LEU 210 Ca 0.00 0.08 0.13 0.00 -0.00 0.00 0.00 56.01 56.22 3g5u n LEU 210 Cb 0.00 -0.93 0.64 0.00 -0.00 0.00 0.00 43.42 43.12 3g5u n LEU 210 CO 0.00 0.79 0.89 0.00 -0.00 0.00 0.00 177.39 179.07 3g5u h THR 211 N -0.30 0.00 0.02 1.96 1.03 -1.60 1.50 112.91 115.52 3g5u h THR 211 Ca -0.56 -0.11 -0.29 0.00 -0.01 0.00 0.00 66.41 65.44 3g5u h THR 211 Cb 1.81 0.76 -0.04 0.00 -1.07 0.00 0.00 68.15 69.61 3g5u h THR 211 CO -0.14 0.00 -1.62 0.25 -0.01 0.00 0.00 175.52 173.99 3g5u h LEU 212 N 0.00 0.08 -0.85 0.00 5.85 -1.77 -0.47 115.31 118.14 3g5u h LEU 212 Ca 0.00 -0.15 0.13 0.00 0.84 0.00 0.00 57.88 58.70 3g5u h LEU 212 Cb 0.15 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.06 3g5u h LEU 212 CO 0.00 1.13 0.47 0.58 -0.34 0.00 0.00 178.44 180.27 3g5u h VAL 213 N 0.01 0.81 0.00 1.05 2.07 0.38 1.37 116.25 121.94 3g5u h VAL 213 Ca -0.26 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3g5u h VAL 213 Cb 1.98 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3g5u h VAL 213 CO 0.09 0.13 0.00 -0.38 0.02 0.00 0.00 177.57 177.43 3g5u n ILE 214 N -4.81 0.00 -0.05 4.57 5.41 0.07 -1.66 119.36 122.89 3g5u n ILE 214 Ca 0.16 0.71 -0.00 0.00 1.00 0.00 0.00 62.75 64.62 3g5u n ILE 214 Cb 0.37 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 3g5u n ILE 214 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3g5u n LEU 215 N -0.29 -0.09 0.00 1.39 4.77 -0.20 -0.91 117.00 121.67 3g5u n LEU 215 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3g5u n LEU 215 Cb 0.00 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3g5u n LEU 215 CO 0.00 -0.20 0.00 0.00 -1.33 0.00 0.00 177.39 175.86 3g5u n ALA 216 N -3.93 0.00 -0.22 -1.18 0.00 0.46 -1.86 120.51 113.78 3g5u n ALA 216 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.39 3g5u n ALA 216 Cb 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 3g5u n ALA 216 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3g5u n ILE 217 N 0.00 -0.36 0.00 0.00 -6.64 -0.67 -0.94 119.36 110.76 3g5u n ILE 217 Ca 0.00 1.59 0.00 0.00 -1.77 0.00 0.00 62.75 62.57 3g5u n ILE 217 Cb 0.00 -2.00 0.00 0.00 -1.44 0.00 0.00 39.64 36.20 3g5u n ILE 217 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 3g5u n SER 218 N -4.30 0.00 -0.40 7.28 7.64 -0.09 -0.14 113.62 123.61 3g5u n SER 218 Ca 0.01 0.09 0.35 0.00 1.01 0.00 0.00 58.87 60.33 3g5u n SER 218 Cb 0.14 0.00 0.53 0.00 -1.01 0.00 0.00 64.21 63.87 3g5u n SER 218 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3g5u n PRO 219 N -0.15 0.01 -0.02 1.43 -0.02 -0.78 -0.02 135.00 135.45 3g5u n PRO 219 Ca 0.00 0.87 -0.13 0.00 -2.02 0.00 0.00 63.50 62.22 3g5u n PRO 219 Cb 0.00 -2.07 -0.10 0.00 -0.02 0.00 0.00 33.50 31.31 3g5u n PRO 219 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3g5u h VAL 220 N 0.00 1.43 0.05 -1.45 2.07 0.22 -1.68 116.25 116.89 3g5u h VAL 220 Ca 0.61 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.63 3g5u h VAL 220 Cb 2.80 2.44 -0.04 0.00 -1.52 0.00 0.00 31.29 34.97 3g5u h VAL 220 CO -0.01 0.38 -0.23 -0.07 0.02 0.00 0.00 177.57 177.66 3g5u h LEU 221 N -0.71 -0.68 -1.89 2.57 3.38 0.30 0.16 115.31 118.44 3g5u h LEU 221 Ca -0.00 0.09 0.39 0.00 0.09 0.00 0.00 57.88 58.44 3g5u h LEU 221 Cb 0.65 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 3g5u h LEU 221 CO 0.01 -0.31 0.95 1.23 0.09 0.00 0.00 178.44 180.40 3g5u h GLY 222 N -0.40 0.21 0.65 0.83 0.00 -1.30 0.43 103.07 103.50 3g5u h GLY 222 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3g5u h GLY 222 CO -0.18 -0.04 -0.17 1.41 0.00 0.00 0.00 176.54 177.56 3g5u h LEU 223 N 0.05 -0.40 -1.18 3.11 3.38 0.28 -0.92 115.31 119.62 3g5u h LEU 223 Ca 0.66 -0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.62 3g5u h LEU 223 Cb 2.50 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 43.28 3g5u h LEU 223 CO -0.06 -0.03 0.60 0.77 0.09 0.00 0.00 178.44 179.81 3g5u h SER 224 N -0.83 0.74 0.53 -0.43 4.64 0.51 -1.71 113.55 117.00 3g5u h SER 224 Ca -0.05 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3g5u h SER 224 Cb 0.53 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3g5u h SER 224 CO 0.08 0.36 -0.26 0.00 -0.87 0.00 0.00 176.83 176.14 3g5u h ALA 225 N 1.59 -1.16 -0.84 5.18 0.00 -1.14 -1.92 119.26 120.97 3g5u h ALA 225 Ca 0.48 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.38 3g5u h ALA 225 Cb 0.70 0.28 -0.15 0.00 0.00 0.00 0.00 17.79 18.62 3g5u h ALA 225 CO -0.24 -1.11 -0.30 0.78 0.00 0.00 0.00 179.25 178.38 3g5u h GLY 226 N -0.74 0.27 0.00 0.00 0.00 -0.65 -1.58 103.07 100.37 3g5u h GLY 226 Ca -0.07 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3g5u h GLY 226 CO 0.12 -0.26 0.00 1.39 0.00 0.00 0.00 176.54 177.79 3g5u n ILE 227 N -5.50 0.00 -0.22 2.60 5.41 -0.69 -1.76 119.36 119.20 3g5u n ILE 227 Ca 0.10 1.04 -0.07 0.00 1.00 0.00 0.00 62.75 64.81 3g5u n ILE 227 Cb 0.41 -1.93 -0.03 0.00 -0.71 0.00 0.00 39.64 37.38 3g5u n ILE 227 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 3g5u h TRP 228 N 0.00 -1.23 0.01 1.39 7.01 -1.34 0.88 115.95 122.67 3g5u h TRP 228 Ca 0.00 0.08 0.00 0.00 2.11 0.00 0.00 58.89 61.09 3g5u h TRP 228 Cb 0.00 0.63 -0.01 0.00 -2.10 0.00 0.00 29.16 27.68 3g5u h TRP 228 CO 0.09 -0.41 -0.10 0.00 -2.79 0.00 0.00 178.44 175.22 3g5u h ALA 229 N 0.72 -0.60 -0.87 2.65 0.00 -1.42 -1.38 119.26 118.37 3g5u h ALA 229 Ca 0.20 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.34 3g5u h ALA 229 Cb 0.56 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 3g5u h ALA 229 CO -0.71 -0.63 0.62 0.87 0.00 0.00 0.00 179.25 179.40 3g5u h LYS 230 N -0.13 0.04 0.40 0.00 1.79 -0.57 0.46 116.57 118.56 3g5u h LYS 230 Ca 0.00 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3g5u h LYS 230 Cb 0.14 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3g5u h LYS 230 CO -0.06 0.03 -0.27 0.82 -1.08 0.00 0.00 179.45 178.88 3g5u h ILE 231 N 0.04 0.00 -0.97 1.86 2.04 0.18 -1.34 117.51 119.32 3g5u h ILE 231 Ca 0.42 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.40 3g5u h ILE 231 Cb 1.60 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.60 3g5u h ILE 231 CO -0.03 0.00 0.61 -0.07 0.00 0.00 0.00 178.15 178.67 3g5u h LEU 232 N -0.64 0.86 -0.59 1.44 -0.00 -0.16 -1.16 115.31 115.06 3g5u h LEU 232 Ca -0.05 0.04 0.10 0.00 -0.00 0.00 0.00 57.88 57.97 3g5u h LEU 232 Cb 0.52 -0.13 -0.08 0.00 -0.00 0.00 0.00 40.66 40.97 3g5u h LEU 232 CO 0.03 0.46 0.15 0.28 -0.00 0.00 0.00 178.44 179.36 3g5u h SER 233 N 0.92 0.06 -0.37 -0.43 0.02 -0.51 0.94 113.55 114.18 3g5u h SER 233 Ca 0.48 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.52 3g5u h SER 233 Cb 0.53 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 3g5u h SER 233 CO -0.24 0.05 0.19 0.77 -1.14 0.00 0.00 176.83 176.46 3g5u h SER 234 N 0.29 0.48 -0.93 3.07 4.64 -0.11 -1.73 113.55 119.26 3g5u h SER 234 Ca 0.30 -0.11 0.23 0.00 -0.47 0.00 0.00 61.79 61.75 3g5u h SER 234 Cb 0.42 -0.12 -0.13 0.00 -0.31 0.00 0.00 62.40 62.27 3g5u h SER 234 CO -0.36 0.45 0.45 0.15 -0.87 0.00 0.00 176.83 176.64 3g5u h PHE 235 N 0.47 0.75 0.72 4.77 3.57 0.50 -0.79 116.94 126.93 3g5u h PHE 235 Ca 0.13 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3g5u h PHE 235 Cb 0.09 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 38.65 3g5u h PHE 235 CO -0.02 -0.03 -0.35 1.15 -2.23 0.00 0.00 178.31 176.84 3g5u h THR 236 N 0.44 0.29 -0.43 4.41 2.02 0.15 -2.09 112.91 117.70 3g5u h THR 236 Ca 0.59 -0.01 0.09 0.00 0.77 0.00 0.00 66.41 67.85 3g5u h THR 236 Cb 1.13 0.29 -0.09 0.00 -1.74 0.00 0.00 68.15 67.74 3g5u h THR 236 CO -0.52 0.00 -0.24 0.44 0.37 0.00 0.00 175.52 175.57 3g5u h ASP 237 N -0.97 -0.80 -0.66 4.18 3.45 -0.49 0.44 116.42 121.57 3g5u h ASP 237 Ca -0.10 0.17 0.14 0.00 0.43 0.00 0.00 57.03 57.67 3g5u h ASP 237 Cb 0.74 0.42 -0.11 0.00 -0.56 0.00 0.00 39.33 39.82 3g5u h ASP 237 CO 0.16 -0.26 0.02 0.50 -1.57 0.00 0.00 179.24 178.09 3g5u h LYS 238 N -0.15 0.13 -0.53 3.56 3.11 -1.22 0.34 116.57 121.80 3g5u h LYS 238 Ca 0.20 -0.01 0.09 0.00 -2.81 0.00 0.00 60.65 58.13 3g5u h LYS 238 Cb 0.47 -0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.60 3g5u h LYS 238 CO -0.52 0.08 0.09 0.93 -2.81 0.00 0.00 179.45 177.22 3g5u h GLU 239 N 0.13 0.21 -0.89 1.90 4.39 0.50 -2.15 114.58 118.67 3g5u h GLU 239 Ca 0.35 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 3g5u h GLU 239 Cb 0.58 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 3g5u h GLU 239 CO -0.55 0.14 0.52 -0.07 -1.16 0.00 0.00 179.01 177.89 3g5u h LEU 240 N 0.22 1.07 0.30 1.33 3.38 0.16 -2.05 115.31 119.72 3g5u h LEU 240 Ca 0.27 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3g5u h LEU 240 Cb 0.38 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3g5u h LEU 240 CO -0.37 0.83 -0.15 0.45 0.09 0.00 0.00 178.44 179.30 3g5u h HIS 241 N 1.22 -0.38 -0.91 1.13 3.86 -0.61 -0.58 115.15 118.89 3g5u h HIS 241 Ca 0.32 -0.01 0.11 0.00 -1.16 0.00 0.00 60.37 59.63 3g5u h HIS 241 Cb -0.03 0.12 -0.07 0.00 1.06 0.00 0.00 27.41 28.49 3g5u h HIS 241 CO 0.01 -0.19 0.58 0.00 0.86 0.00 0.00 177.93 179.19 3g5u h ALA 242 N 0.21 1.65 0.02 2.45 0.00 -1.37 -0.18 119.26 122.05 3g5u h ALA 242 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3g5u h ALA 242 Cb 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3g5u h ALA 242 CO 0.07 0.15 -0.23 -0.92 0.00 0.00 0.00 179.25 178.32 3g5u h TYR 243 N 0.87 -0.67 -0.93 0.00 -0.00 -0.59 -2.27 116.97 113.37 3g5u h TYR 243 Ca 0.43 0.02 0.34 0.00 -0.00 0.00 0.00 58.73 59.52 3g5u h TYR 243 Cb 0.47 0.29 -0.17 0.00 -0.00 0.00 0.00 36.73 37.32 3g5u h TYR 243 CO -0.00 -0.25 0.30 0.00 -0.00 0.00 0.00 178.16 178.21 3g5u n ALA 244 N -2.68 0.76 0.27 1.82 0.00 -0.13 -0.02 120.51 120.54 3g5u n ALA 244 Ca -0.03 0.97 -0.16 0.00 0.00 0.00 0.00 53.44 54.22 3g5u n ALA 244 Cb 0.17 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 3g5u n ALA 244 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3g5u h LYS 245 N 0.00 -0.64 -0.87 0.00 1.63 -0.94 -2.63 116.57 113.13 3g5u h LYS 245 Ca 0.70 0.04 0.20 0.00 -0.85 0.00 0.00 60.65 60.74 3g5u h LYS 245 Cb 1.71 0.15 -0.06 0.00 -0.60 0.00 0.00 32.23 33.42 3g5u h LYS 245 CO -0.79 -0.39 0.58 0.00 -3.45 0.00 0.00 179.45 175.40 3g5u h ALA 246 N -0.27 2.28 0.00 5.00 0.00 0.11 -1.79 119.26 124.60 3g5u h ALA 246 Ca -0.07 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3g5u h ALA 246 Cb 0.55 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3g5u h ALA 246 CO 0.11 -0.55 -0.47 0.78 0.00 0.00 0.00 179.25 179.12 3g5u h GLY 247 N 0.34 0.00 0.88 0.00 0.00 -1.05 -1.89 103.07 101.35 3g5u h GLY 247 Ca 0.44 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.63 3g5u h GLY 247 CO -0.14 0.00 -0.51 0.00 0.00 0.00 0.00 176.54 175.89 3g5u h ALA 248 N 1.53 0.20 0.00 3.60 0.00 -0.98 -1.96 119.26 121.64 3g5u h ALA 248 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3g5u h ALA 248 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3g5u h ALA 248 CO 0.06 0.39 0.00 0.28 0.00 0.00 0.00 179.25 179.98 3g5u n VAL 249 N -4.23 0.00 0.91 0.00 0.31 -1.04 0.40 118.33 114.67 3g5u n VAL 249 Ca -0.08 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.35 3g5u n VAL 249 Cb 0.60 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 3g5u n VAL 249 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g5u n ALA 250 N -0.87 3.38 -0.22 3.52 0.00 -0.72 -4.46 120.51 121.13 3g5u n ALA 250 Ca 0.12 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3g5u n ALA 250 Cb 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3g5u n ALA 250 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3g5u n GLU 251 N 0.03 0.00 0.00 0.00 -0.58 0.16 -4.61 120.64 115.64 3g5u n GLU 251 Ca 0.09 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 3g5u n GLU 251 Cb 0.43 -0.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3g5u n GLU 251 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3g5u n GLU 252 N -2.21 0.00 -2.39 3.49 4.71 -1.14 -4.77 120.64 118.34 3g5u n GLU 252 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 56.87 3g5u n GLU 252 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.44 3g5u n GLU 252 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3g5u s VAL 253 N 0.00 4.41 0.00 2.62 1.01 -1.26 -4.95 120.40 122.22 3g5u s VAL 253 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.25 3g5u s VAL 253 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3g5u s VAL 253 CO 0.00 -0.77 0.02 0.18 0.00 0.00 0.00 175.10 174.53 3g5u n LEU 254 N -2.49 0.00 0.00 3.92 7.99 -1.26 -5.10 117.00 120.06 3g5u n LEU 254 Ca 0.03 -0.35 0.00 0.00 -0.01 0.00 0.00 56.01 55.68 3g5u n LEU 254 Cb 0.56 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 3g5u n LEU 254 CO 0.54 0.41 0.00 0.00 -1.51 0.00 0.00 177.39 176.83 3g5u n ALA 255 N 0.00 0.00 -0.65 -1.18 0.00 -1.26 -4.54 120.51 112.88 3g5u n ALA 255 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3g5u n ALA 255 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3g5u n ALA 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g5u n ALA 256 N -3.00 0.00 -0.47 0.00 0.00 -1.26 -4.82 120.51 110.97 3g5u n ALA 256 Ca 0.00 0.00 0.39 0.00 0.00 0.00 0.00 53.44 53.83 3g5u n ALA 256 Cb 0.00 -0.72 0.64 0.00 0.00 0.00 0.00 19.45 19.37 3g5u n ALA 256 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3g5u n ILE 257 N -2.00 -0.19 0.10 0.00 0.13 -1.26 0.12 119.36 116.25 3g5u n ILE 257 Ca 0.00 1.60 -0.13 0.00 -1.10 0.00 0.00 62.75 63.12 3g5u n ILE 257 Cb 0.00 -2.63 -0.06 0.00 -0.84 0.00 0.00 39.64 36.11 3g5u n ILE 257 CO 0.00 0.00 0.00 -0.09 2.80 0.00 0.00 176.55 179.26 3g5u h ARG 258 N 0.00 -0.55 -0.60 9.51 2.43 -1.97 1.24 114.38 124.44 3g5u h ARG 258 Ca 0.81 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 60.13 3g5u h ARG 258 Cb 2.73 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 32.37 3g5u h ARG 258 CO -0.36 -0.36 0.41 1.15 -1.51 0.00 0.00 179.97 179.29 3g5u h THR 259 N -0.57 0.86 0.00 0.20 2.02 0.55 0.73 112.91 116.70 3g5u h THR 259 Ca 0.04 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3g5u h THR 259 Cb 0.61 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3g5u h THR 259 CO -0.23 0.06 0.00 0.58 0.37 0.00 0.00 175.52 176.31 3g5u h VAL 260 N 0.35 0.00 0.16 3.16 2.07 0.16 -2.59 116.25 119.56 3g5u h VAL 260 Ca 0.28 -0.50 -0.30 0.00 0.82 0.00 0.00 66.70 67.00 3g5u h VAL 260 Cb 0.63 1.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3g5u h VAL 260 CO -0.07 0.00 -1.39 0.40 0.02 0.00 0.00 177.57 176.52 3g5u h ILE 261 N 0.00 1.34 0.00 4.57 1.08 0.37 -0.77 117.51 124.10 3g5u h ILE 261 Ca 0.00 -2.89 0.00 0.00 -0.39 0.00 0.00 64.86 61.58 3g5u h ILE 261 Cb 0.75 2.91 0.00 0.00 -3.07 0.00 0.00 36.82 37.41 3g5u h ILE 261 CO 0.00 0.85 0.00 0.00 -0.69 0.00 0.00 178.15 178.31 3g5u n ALA 262 N -2.62 2.58 -0.13 1.87 0.00 -0.93 -3.11 120.51 118.17 3g5u n ALA 262 Ca -0.13 -0.13 -0.26 0.00 0.00 0.00 0.00 53.44 52.92 3g5u n ALA 262 Cb 1.05 -1.33 -0.11 0.00 0.00 0.00 0.00 19.45 19.06 3g5u n ALA 262 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3g5u n PHE 263 N -0.84 0.17 0.00 0.00 7.35 -0.98 -5.02 117.46 118.14 3g5u n PHE 263 Ca 0.15 0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 3g5u n PHE 263 Cb 0.07 -1.02 0.00 0.00 0.35 0.00 0.00 39.48 38.88 3g5u n PHE 263 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3g5u n GLY 264 N 1.51 2.27 0.00 7.13 0.00 -0.33 -4.50 105.19 111.27 3g5u n GLY 264 Ca -0.50 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3g5u n GLY 264 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g5u n GLY 265 N 0.00 1.79 0.00 -0.02 0.00 -1.25 -4.87 105.19 100.84 3g5u n GLY 265 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3g5u n GLY 265 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g5u n GLN 266 N 0.00 0.00 0.00 1.61 1.13 -1.26 -4.76 117.38 114.10 3g5u n GLN 266 Ca 0.00 0.61 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 3g5u n GLN 266 Cb 0.00 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 28.93 3g5u n GLN 266 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3g5u n LYS 267 N -2.11 0.00 -0.00 -1.09 5.02 -1.26 -4.26 118.16 114.45 3g5u n LYS 267 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3g5u n LYS 267 Cb 0.00 -1.01 -0.01 0.00 -0.02 0.00 0.00 35.03 33.99 3g5u n LYS 267 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3g5u n LYS 268 N -0.22 3.68 -0.04 1.97 0.00 -1.26 -3.77 118.16 118.52 3g5u n LYS 268 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.18 3g5u n LYS 268 Cb 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 35.03 33.93 3g5u n LYS 268 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3g5u h GLU 269 N 0.00 0.25 0.04 1.64 5.08 -1.97 -0.84 114.58 118.78 3g5u h GLU 269 Ca -0.02 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3g5u h GLU 269 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 3g5u h GLU 269 CO 0.00 0.64 -0.17 1.37 -1.00 0.00 0.00 179.01 179.85 3g5u h LEU 270 N -0.14 -0.52 -0.53 1.33 -0.00 -1.90 -1.98 115.31 111.57 3g5u h LEU 270 Ca 0.02 0.06 0.10 0.00 -0.00 0.00 0.00 57.88 58.06 3g5u h LEU 270 Cb 0.59 0.19 -0.11 0.00 -0.00 0.00 0.00 40.66 41.34 3g5u h LEU 270 CO 0.02 -0.18 -0.23 -0.08 -0.00 0.00 0.00 178.44 177.97 3g5u h GLU 271 N -0.24 -0.11 -0.08 0.17 4.22 -1.65 -0.90 114.58 115.99 3g5u h GLU 271 Ca -0.00 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.45 3g5u h GLU 271 Cb 0.25 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3g5u h GLU 271 CO -0.10 -0.07 -0.06 -0.09 -2.18 0.00 0.00 179.01 176.51 3g5u h ARG 272 N -0.11 -0.01 -0.86 1.92 9.65 -0.79 -1.01 114.38 123.16 3g5u h ARG 272 Ca 0.24 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.09 3g5u h ARG 272 Cb 0.49 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.03 3g5u h ARG 272 CO -0.60 -0.01 0.42 1.88 2.80 0.00 0.00 179.97 184.46 3g5u h TYR 273 N -0.02 1.23 0.00 2.20 0.99 -1.21 -2.06 116.97 118.11 3g5u h TYR 273 Ca 0.01 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.69 3g5u h TYR 273 Cb 0.05 -0.38 0.00 0.00 1.00 0.00 0.00 36.73 37.40 3g5u h TYR 273 CO -0.82 0.88 0.00 0.09 -0.00 0.00 0.00 178.16 178.31 3g5u n ASN 274 N -4.31 0.00 0.06 3.88 5.03 -0.36 -1.99 115.26 117.57 3g5u n ASN 274 Ca 0.09 0.19 0.20 0.00 0.87 0.00 0.00 54.58 55.93 3g5u n ASN 274 Cb 0.14 0.00 0.63 0.00 -1.02 0.00 0.00 39.78 39.53 3g5u n ASN 274 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 3g5u h ASN 275 N 0.00 0.00 0.00 6.41 4.21 -1.32 -1.78 115.58 123.10 3g5u h ASN 275 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3g5u h ASN 275 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3g5u h ASN 275 CO 0.00 0.00 0.00 -3.20 -1.29 0.00 0.00 177.43 172.94 3g5u n ASN 276 N -3.39 0.00 -0.27 5.81 2.85 -0.77 -1.37 115.26 118.12 3g5u n ASN 276 Ca 0.10 0.24 0.03 0.00 -0.11 0.00 0.00 54.58 54.83 3g5u n ASN 276 Cb 0.85 0.00 0.16 0.00 1.24 0.00 0.00 39.78 42.03 3g5u n ASN 276 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3g5u h LEU 277 N 0.00 0.52 0.14 1.20 -0.00 -1.34 -1.89 115.31 113.95 3g5u h LEU 277 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 3g5u h LEU 277 Cb 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 40.62 3g5u h LEU 277 CO 0.00 0.28 -0.26 -0.33 -0.00 0.00 0.00 178.44 178.13 3g5u h GLU 278 N 0.65 -0.42 -0.84 1.13 5.08 -1.43 -1.81 114.58 116.94 3g5u h GLU 278 Ca 0.38 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.89 3g5u h GLU 278 Cb 0.42 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.63 3g5u h GLU 278 CO -0.28 -0.28 -0.42 0.93 -1.00 0.00 0.00 179.01 177.96 3g5u h GLU 279 N -0.43 -0.07 0.00 2.33 5.08 -0.85 0.83 114.58 121.47 3g5u h GLU 279 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3g5u h GLU 279 Cb 0.41 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3g5u h GLU 279 CO -0.10 -0.05 0.00 0.00 -1.00 0.00 0.00 179.01 177.86 3g5u n ALA 280 N -3.32 0.00 0.48 3.43 0.00 -0.74 0.94 120.51 121.30 3g5u n ALA 280 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.54 3g5u n ALA 280 Cb 0.36 0.12 0.24 0.00 0.00 0.00 0.00 19.45 20.17 3g5u n ALA 280 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3g5u n LYS 281 N -0.52 0.21 0.00 0.00 4.01 -0.87 -0.85 118.16 120.14 3g5u n LYS 281 Ca 0.00 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 3g5u n LYS 281 Cb 0.00 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 3g5u n LYS 281 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3g5u n ARG 282 N -1.12 0.00 -0.39 1.97 5.12 0.29 0.83 116.66 123.36 3g5u n ARG 282 Ca 0.05 0.00 0.33 0.00 -1.93 0.00 0.00 57.85 56.30 3g5u n ARG 282 Cb 0.04 -0.44 0.64 0.00 -1.16 0.00 0.00 32.46 31.54 3g5u n ARG 282 CO 0.00 0.00 0.00 1.37 -1.93 0.00 0.00 177.63 177.07 3g5u h LEU 283 N 0.00 0.24 0.02 0.55 8.10 -1.32 1.02 115.31 123.92 3g5u h LEU 283 Ca 0.00 0.07 -0.00 0.00 0.11 0.00 0.00 57.88 58.06 3g5u h LEU 283 Cb 0.00 0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.26 3g5u h LEU 283 CO 0.00 -0.02 -0.01 1.23 -4.11 0.00 0.00 178.44 175.53 3g5u h GLY 284 N 0.17 -0.03 1.41 0.17 0.00 -0.98 1.00 103.07 104.81 3g5u h GLY 284 Ca 0.68 0.01 0.00 0.00 0.00 0.00 0.00 47.33 48.02 3g5u h GLY 284 CO -0.24 -0.01 0.00 4.51 0.00 0.00 0.00 176.54 180.80 3g5u n ILE 285 N -2.08 0.62 0.85 2.60 0.00 0.24 0.19 119.36 121.78 3g5u n ILE 285 Ca -0.00 0.15 0.12 0.00 0.00 0.00 0.00 62.75 63.02 3g5u n ILE 285 Cb 0.01 -1.03 0.16 0.00 0.00 0.00 0.00 39.64 38.78 3g5u n ILE 285 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3g5u n LYS 286 N -1.20 0.10 0.01 9.51 4.01 0.35 0.15 118.16 131.09 3g5u n LYS 286 Ca 0.04 0.01 -0.22 0.00 -0.51 0.00 0.00 58.31 57.64 3g5u n LYS 286 Cb 0.05 -1.55 -0.14 0.00 -0.51 0.00 0.00 35.03 32.88 3g5u n LYS 286 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 3g5u h LYS 287 N 0.00 0.26 0.00 1.97 3.64 1.01 1.55 116.57 124.99 3g5u h LYS 287 Ca 0.00 -0.44 -0.04 0.00 -1.27 0.00 0.00 60.65 58.90 3g5u h LYS 287 Cb 0.59 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3g5u h LYS 287 CO 0.00 1.21 -0.20 0.00 -2.27 0.00 0.00 179.45 178.19 3g5u h ALA 288 N -0.03 0.99 0.18 5.00 0.00 -1.42 1.31 119.26 125.29 3g5u h ALA 288 Ca -0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3g5u h ALA 288 Cb 1.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3g5u h ALA 288 CO 0.07 0.25 -0.09 0.82 0.00 0.00 0.00 179.25 180.31 3g5u h ILE 289 N 0.00 0.00 0.00 0.00 1.08 0.16 1.50 117.51 120.25 3g5u h ILE 289 Ca -0.00 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3g5u h ILE 289 Cb 0.77 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 3g5u h ILE 289 CO 0.03 0.00 0.00 0.35 -0.69 0.00 0.00 178.15 177.84 3g5u n THR 290 N -2.94 0.00 -0.02 -0.27 -2.24 0.53 0.27 114.28 109.60 3g5u n THR 290 Ca -0.03 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.77 3g5u n THR 290 Cb 0.09 -0.61 -0.08 0.00 -2.10 0.00 0.00 70.33 67.63 3g5u n THR 290 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g5u n ALA 291 N -0.65 2.19 0.04 6.98 0.00 0.45 0.10 120.51 129.61 3g5u n ALA 291 Ca 0.01 -0.39 -0.20 0.00 0.00 0.00 0.00 53.44 52.85 3g5u n ALA 291 Cb 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 19.45 19.11 3g5u n ALA 291 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3g5u h ASN 292 N 0.00 0.92 0.41 0.00 -0.73 1.50 1.35 115.58 119.02 3g5u h ASN 292 Ca -0.09 -0.73 -0.02 0.00 1.87 0.00 0.00 56.30 57.33 3g5u h ASN 292 Cb 0.87 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 39.18 3g5u h ASN 292 CO 0.00 1.53 -0.20 0.40 -0.37 0.00 0.00 177.43 178.80 3g5u h ILE 293 N 0.40 0.00 0.00 2.57 1.08 0.79 1.07 117.51 123.42 3g5u h ILE 293 Ca -0.13 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 3g5u h ILE 293 Cb 1.69 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 3g5u h ILE 293 CO 0.20 0.00 0.51 0.28 -0.69 0.00 0.00 178.15 178.46 3g5u h SER 294 N -0.56 0.00 0.16 1.72 0.02 0.84 0.65 113.55 116.38 3g5u h SER 294 Ca -0.06 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.63 3g5u h SER 294 Cb 0.42 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.98 3g5u h SER 294 CO 0.09 0.00 -1.22 0.24 -1.14 0.00 0.00 176.83 174.80 3g5u h MET 295 N 0.00 0.34 -0.78 3.45 2.86 0.52 0.38 114.93 121.70 3g5u h MET 295 Ca 0.00 -0.58 0.12 0.00 -2.06 0.00 0.00 59.70 57.18 3g5u h MET 295 Cb 1.03 0.22 -0.08 0.00 0.06 0.00 0.00 31.60 32.82 3g5u h MET 295 CO 0.00 1.28 0.39 0.78 1.06 0.00 0.00 176.91 180.42 3g5u h GLY 296 N -0.04 1.21 0.64 8.32 0.00 0.67 1.22 103.07 115.11 3g5u h GLY 296 Ca -0.23 -0.24 0.09 0.00 0.00 0.00 0.00 47.33 46.95 3g5u h GLY 296 CO 0.15 0.02 0.64 0.00 0.00 0.00 0.00 176.54 177.34 3g5u h ALA 297 N 1.49 1.47 -3.00 3.60 0.00 -0.89 0.43 119.26 122.36 3g5u h ALA 297 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3g5u h ALA 297 Cb 0.50 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3g5u h ALA 297 CO -0.31 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3g5u n ALA 298 N -2.36 0.00 -0.18 0.00 0.00 0.41 0.64 120.51 119.02 3g5u n ALA 298 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.70 3g5u n ALA 298 Cb 0.26 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.89 3g5u n ALA 298 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3g5u n PHE 299 N -0.02 0.39 -0.03 0.00 3.72 -0.49 -0.53 117.46 120.50 3g5u n PHE 299 Ca 0.00 0.63 -0.15 0.00 -0.05 0.00 0.00 57.45 57.89 3g5u n PHE 299 Cb 0.00 -0.93 -0.11 0.00 -0.94 0.00 0.00 39.48 37.50 3g5u n PHE 299 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3g5u h LEU 300 N 0.00 0.24 -0.04 4.37 3.38 -0.96 0.60 115.31 122.91 3g5u h LEU 300 Ca 0.35 -0.73 0.04 0.00 0.09 0.00 0.00 57.88 57.63 3g5u h LEU 300 Cb 0.77 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 3g5u h LEU 300 CO -0.48 0.94 -0.24 0.25 0.09 0.00 0.00 178.44 179.00 3g5u h LEU 301 N -0.43 -0.71 -1.64 1.67 5.85 0.28 0.23 115.31 120.57 3g5u h LEU 301 Ca -0.03 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3g5u h LEU 301 Cb 0.96 0.30 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3g5u h LEU 301 CO 0.05 -0.30 0.00 0.40 -0.34 0.00 0.00 178.44 178.25 3g5u h ILE 302 N -0.35 0.00 0.26 4.05 5.03 -1.03 -1.70 117.51 123.78 3g5u h ILE 302 Ca 0.07 -0.20 -0.01 0.00 -0.12 0.00 0.00 64.86 64.60 3g5u h ILE 302 Cb 0.45 1.01 0.00 0.00 -3.03 0.00 0.00 36.82 35.25 3g5u h ILE 302 CO -0.24 0.00 -0.12 0.22 -0.68 0.00 0.00 178.15 177.32 3g5u h TYR 303 N 0.00 -0.32 -0.13 1.37 -0.00 0.35 -1.60 116.97 116.63 3g5u h TYR 303 Ca 0.00 -0.01 0.04 0.00 -0.00 0.00 0.00 58.73 58.76 3g5u h TYR 303 Cb 0.23 0.11 -0.01 0.00 -0.00 0.00 0.00 36.73 37.06 3g5u h TYR 303 CO 0.00 -0.20 0.34 0.00 -0.00 0.00 0.00 178.16 178.30 3g5u h ALA 304 N -1.71 1.57 -0.42 1.82 0.00 -0.80 1.82 119.26 121.55 3g5u h ALA 304 Ca -0.04 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3g5u h ALA 304 Cb 0.27 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3g5u h ALA 304 CO 0.06 -0.40 0.04 1.03 0.00 0.00 0.00 179.25 179.98 3g5u h SER 305 N 0.00 0.69 -0.38 0.00 0.87 -1.10 0.21 113.55 113.84 3g5u h SER 305 Ca 0.06 -0.28 0.05 0.00 -1.23 0.00 0.00 61.79 60.39 3g5u h SER 305 Cb 0.74 -0.18 -0.08 0.00 -0.44 0.00 0.00 62.40 62.43 3g5u h SER 305 CO -0.00 0.79 -0.54 0.10 -0.53 0.00 0.00 176.83 176.65 3g5u h TYR 306 N 0.55 -1.63 -0.83 2.24 -0.00 0.38 0.36 116.97 118.04 3g5u h TYR 306 Ca 0.12 0.08 0.20 0.00 0.00 0.00 0.00 58.73 59.13 3g5u h TYR 306 Cb 0.42 0.76 -0.14 0.00 0.00 0.00 0.00 36.73 37.77 3g5u h TYR 306 CO 0.03 -0.49 0.06 0.00 -0.00 0.00 0.00 178.16 177.76 3g5u h ALA 307 N 0.01 0.96 -3.00 0.10 0.00 -0.67 1.21 119.26 117.85 3g5u h ALA 307 Ca 0.08 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3g5u h ALA 307 Cb 0.61 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3g5u h ALA 307 CO -0.58 -0.45 0.00 -0.11 0.00 0.00 0.00 179.25 178.11 3g5u n LEU 308 N -5.35 0.00 -0.47 0.00 7.94 0.12 0.25 117.00 119.49 3g5u n LEU 308 Ca 0.17 0.00 0.39 0.00 -1.11 0.00 0.00 56.01 55.45 3g5u n LEU 308 Cb 0.57 0.00 0.69 0.00 0.53 0.00 0.00 43.42 45.21 3g5u n LEU 308 CO 0.03 0.00 1.31 0.00 -1.11 0.00 0.00 177.39 177.62 3g5u h ALA 309 N -2.64 3.00 -3.00 1.96 0.00 -1.20 0.22 119.26 117.60 3g5u h ALA 309 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3g5u h ALA 309 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3g5u h ALA 309 CO 0.00 -1.53 0.00 0.34 0.00 0.00 0.00 179.25 178.06 3g5u n PHE 310 N -4.42 0.00 -0.33 0.00 -0.00 0.41 -1.18 117.46 111.93 3g5u n PHE 310 Ca 0.35 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.89 3g5u n PHE 310 Cb 1.46 0.00 0.26 0.00 -0.00 0.00 0.00 39.48 41.20 3g5u n PHE 310 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.76 175.27 3g5u h TRP 311 N 0.00 0.98 0.00 -5.13 -0.00 0.11 -1.55 115.95 110.36 3g5u h TRP 311 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 3g5u h TRP 311 Cb 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 29.16 28.87 3g5u h TRP 311 CO 0.00 0.28 0.00 0.98 -0.00 0.00 0.00 178.44 179.70 3g5u n TYR 312 N -4.76 0.00 -0.50 0.49 9.36 0.66 0.88 117.16 123.28 3g5u n TYR 312 Ca 0.20 0.00 0.43 0.00 3.32 0.00 0.00 57.90 61.85 3g5u n TYR 312 Cb 0.46 0.00 0.68 0.00 -0.63 0.00 0.00 39.34 39.85 3g5u n TYR 312 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3g5u h GLY 313 N 0.00 0.00 0.31 2.98 0.00 -1.15 0.21 103.07 105.42 3g5u h GLY 313 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3g5u h GLY 313 CO 0.00 0.00 -0.15 -0.84 0.00 0.00 0.00 176.54 175.55 3g5u h THR 314 N 0.00 0.00 -0.47 4.70 2.02 -0.55 -2.09 112.91 116.53 3g5u h THR 314 Ca 0.75 -0.21 0.09 0.00 0.77 0.00 0.00 66.41 67.81 3g5u h THR 314 Cb 3.39 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 69.70 3g5u h THR 314 CO -0.01 0.00 -0.35 0.28 0.37 0.00 0.00 175.52 175.81 3g5u h SER 315 N -0.63 -1.18 -0.14 4.18 0.02 0.37 -0.49 113.55 115.68 3g5u h SER 315 Ca -0.04 0.21 0.05 0.00 -0.84 0.00 0.00 61.79 61.16 3g5u h SER 315 Cb 0.32 0.55 -0.06 0.00 0.14 0.00 0.00 62.40 63.35 3g5u h SER 315 CO 0.07 -0.32 -0.33 0.25 -1.14 0.00 0.00 176.83 175.36 3g5u h LEU 316 N -0.24 -1.03 -1.43 5.07 6.46 -1.44 0.33 115.31 123.04 3g5u h LEU 316 Ca 0.19 0.15 0.00 0.00 -0.12 0.00 0.00 57.88 58.10 3g5u h LEU 316 Cb 0.55 0.44 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 3g5u h LEU 316 CO -0.59 -0.36 0.00 0.52 -0.62 0.00 0.00 178.44 177.38 3g5u n VAL 317 N -5.41 0.30 0.00 1.05 0.31 -0.41 -1.91 118.33 112.26 3g5u n VAL 317 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3g5u n VAL 317 Cb 0.33 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 3g5u n VAL 317 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g5u n ILE 318 N 0.36 0.00 -0.06 2.52 0.00 0.10 -4.35 119.36 117.93 3g5u n ILE 318 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 62.75 62.62 3g5u n ILE 318 Cb 0.25 0.63 -0.16 0.00 0.00 0.00 0.00 39.64 40.36 3g5u n ILE 318 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3g5u n SER 319 N -0.41 0.08 0.00 9.51 7.64 -0.37 -4.10 113.62 125.98 3g5u n SER 319 Ca 0.00 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3g5u n SER 319 Cb 0.00 1.18 0.00 0.00 -1.01 0.00 0.00 64.21 64.38 3g5u n SER 319 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3g5u n LYS 320 N -2.64 0.00 -2.47 1.43 5.02 -0.89 -4.97 118.16 113.63 3g5u n LYS 320 Ca -0.23 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.81 3g5u n LYS 320 Cb 0.98 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 36.10 3g5u n LYS 320 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3g5u s GLU 321 N 0.22 1.58 -1.27 1.97 -1.05 -1.26 -4.55 118.70 114.35 3g5u s GLU 321 Ca 0.00 -0.96 -0.06 0.00 -0.15 0.00 0.00 54.97 53.80 3g5u s GLU 321 Cb 0.00 -2.26 0.06 0.00 -0.44 0.00 0.00 34.13 31.49 3g5u s GLU 321 CO 0.00 -1.55 0.15 0.98 0.95 0.00 0.00 175.26 175.79 3g5u n TYR 322 N -2.95 -0.94 -2.05 4.83 9.36 -1.26 -3.56 117.16 120.58 3g5u n TYR 322 Ca 0.14 0.49 -0.30 0.00 3.32 0.00 0.00 57.90 61.55 3g5u n TYR 322 Cb 0.60 -1.90 -0.04 0.00 -0.63 0.00 0.00 39.34 37.37 3g5u n TYR 322 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 3g5u s SER 323 N -3.61 5.19 0.00 2.98 0.01 -1.26 -4.60 113.70 112.41 3g5u s SER 323 Ca 0.21 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.10 3g5u s SER 323 Cb -0.12 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.55 3g5u s SER 323 CO 0.77 -2.62 0.00 2.30 0.41 0.00 0.00 173.24 174.10 3g5u n ILE 324 N 7.66 0.00 -1.63 1.44 -6.64 -1.26 -4.97 119.36 113.96 3g5u n ILE 324 Ca 0.34 0.00 -0.17 0.00 -1.77 0.00 0.00 62.75 61.15 3g5u n ILE 324 Cb 0.49 0.16 -0.06 0.00 -1.44 0.00 0.00 39.64 38.78 3g5u n ILE 324 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3g5u n GLY 325 N 1.07 1.31 0.08 3.28 0.00 -1.26 -4.80 105.19 104.87 3g5u n GLY 325 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.84 3g5u n GLY 325 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3g5u n GLN 326 N -2.53 1.65 0.25 1.61 -0.06 -1.26 -4.43 117.38 112.61 3g5u n GLN 326 Ca -0.17 -1.69 0.14 0.00 -2.00 0.00 0.00 57.00 53.28 3g5u n GLN 326 Cb 0.57 -1.05 0.55 0.00 -4.06 0.00 0.00 30.24 26.25 3g5u n GLN 326 CO 0.00 0.00 0.00 -0.39 -0.20 0.00 0.00 177.06 176.47 3g5u h VAL 327 N 1.21 0.25 0.00 1.69 -1.51 -1.90 -3.18 116.25 112.82 3g5u h VAL 327 Ca 0.00 -0.81 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 3g5u h VAL 327 Cb 0.85 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 3g5u h VAL 327 CO 0.00 0.10 0.00 -0.11 -1.23 0.00 0.00 177.57 176.33 3g5u n LEU 328 N -3.23 0.00 -0.12 4.19 7.94 -1.26 -1.54 117.00 122.98 3g5u n LEU 328 Ca 0.01 0.34 -0.03 0.00 -1.11 0.00 0.00 56.01 55.22 3g5u n LEU 328 Cb 0.37 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.30 3g5u n LEU 328 CO 0.30 0.00 0.14 0.41 -1.11 0.00 0.00 177.39 177.14 3g5u n THR 329 N -0.70 -0.19 0.00 1.96 -1.04 -1.20 -1.28 114.28 111.83 3g5u n THR 329 Ca 0.00 0.70 0.00 0.00 -2.04 0.00 0.00 64.05 62.71 3g5u n THR 329 Cb 0.00 -0.87 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 3g5u n THR 329 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3g5u n VAL 330 N -4.37 0.00 -0.37 12.58 0.31 -0.77 -1.15 118.33 124.56 3g5u n VAL 330 Ca 0.01 0.63 -0.08 0.00 -0.01 0.00 0.00 64.34 64.88 3g5u n VAL 330 Cb 0.08 -1.55 -0.07 0.00 -0.91 0.00 0.00 33.84 31.39 3g5u n VAL 330 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3g5u n PHE 331 N -0.15 -0.33 -0.31 3.52 3.01 -0.59 0.38 117.46 122.99 3g5u n PHE 331 Ca 0.00 1.10 0.10 0.00 1.01 0.00 0.00 57.45 59.66 3g5u n PHE 331 Cb 0.00 -0.61 0.22 0.00 -0.01 0.00 0.00 39.48 39.09 3g5u n PHE 331 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 3g5u h PHE 332 N 0.00 -0.09 -0.29 1.38 -0.00 -1.30 -0.45 116.94 116.18 3g5u h PHE 332 Ca 0.16 0.07 -0.06 0.00 -0.00 0.00 0.00 57.97 58.14 3g5u h PHE 332 Cb 0.38 0.18 -0.01 0.00 -0.00 0.00 0.00 35.95 36.51 3g5u h PHE 332 CO -0.89 -0.35 -0.06 1.03 -0.00 0.00 0.00 178.31 178.04 3g5u h SER 333 N 0.05 0.56 -0.96 0.41 0.87 0.15 -2.35 113.55 112.28 3g5u h SER 333 Ca 0.52 -0.36 0.11 0.00 -1.23 0.00 0.00 61.79 60.83 3g5u h SER 333 Cb 0.98 -0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 62.71 3g5u h SER 333 CO -0.83 0.79 0.60 1.62 -0.53 0.00 0.00 176.83 178.47 3g5u h VAL 334 N 0.32 0.93 -0.41 2.23 3.04 0.45 0.31 116.25 123.13 3g5u h VAL 334 Ca 0.08 -0.33 0.08 0.00 -1.01 0.00 0.00 66.70 65.51 3g5u h VAL 334 Cb 0.53 -0.12 -0.07 0.00 -2.01 0.00 0.00 31.29 29.62 3g5u h VAL 334 CO 0.03 0.18 -0.07 0.25 -1.01 0.00 0.00 177.57 176.94 3g5u h LEU 335 N 0.97 -0.32 -1.15 3.16 6.46 -0.81 0.92 115.31 124.54 3g5u h LEU 335 Ca 0.47 0.11 0.29 0.00 -0.12 0.00 0.00 57.88 58.63 3g5u h LEU 335 Cb 0.43 0.23 -0.12 0.00 -0.73 0.00 0.00 40.66 40.46 3g5u h LEU 335 CO -0.25 -0.11 0.64 0.40 -0.62 0.00 0.00 178.44 178.49 3g5u h ILE 336 N 0.03 0.43 0.34 4.05 1.08 -0.45 0.37 117.51 123.37 3g5u h ILE 336 Ca 0.20 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.52 3g5u h ILE 336 Cb 0.30 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.01 3g5u h ILE 336 CO -0.40 0.08 -0.35 1.23 -0.69 0.00 0.00 178.15 178.02 3g5u h GLY 337 N 0.41 -0.81 -0.09 5.37 0.00 0.15 -1.55 103.07 106.54 3g5u h GLY 337 Ca 0.67 0.40 0.02 0.00 0.00 0.00 0.00 47.33 48.42 3g5u h GLY 337 CO -0.45 -0.29 -0.35 0.00 0.00 0.00 0.00 176.54 175.45 3g5u h ALA 338 N -0.25 -0.73 -0.98 3.60 0.00 -0.40 -1.32 119.26 119.19 3g5u h ALA 338 Ca -0.02 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.08 3g5u h ALA 338 Cb 0.66 0.86 -0.18 0.00 0.00 0.00 0.00 17.79 19.12 3g5u h ALA 338 CO -0.07 -0.86 -0.13 0.74 0.00 0.00 0.00 179.25 178.94 3g5u h PHE 339 N -0.38 -0.31 -0.43 0.00 0.05 -1.32 0.63 116.94 115.17 3g5u h PHE 339 Ca 0.02 0.08 -0.01 0.00 3.82 0.00 0.00 57.97 61.88 3g5u h PHE 339 Cb 0.44 0.29 -0.02 0.00 2.00 0.00 0.00 35.95 38.66 3g5u h PHE 339 CO -0.54 -0.42 0.22 0.66 -0.18 0.00 0.00 178.31 178.05 3g5u h SER 340 N 0.01 0.53 0.17 2.17 4.64 -0.23 0.12 113.55 120.96 3g5u h SER 340 Ca 0.52 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.78 3g5u h SER 340 Cb 0.93 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3g5u h SER 340 CO -0.96 0.45 -0.11 0.58 -0.87 0.00 0.00 176.83 175.91 3g5u h VAL 341 N 0.60 0.87 0.43 0.95 2.07 0.12 -1.06 116.25 120.24 3g5u h VAL 341 Ca 0.15 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3g5u h VAL 341 Cb 0.05 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3g5u h VAL 341 CO -0.02 0.11 -0.21 1.23 0.02 0.00 0.00 177.57 178.70 3g5u h GLY 342 N 0.46 -0.60 -0.14 2.17 0.00 -0.32 -2.13 103.07 102.51 3g5u h GLY 342 Ca -0.00 0.22 0.20 0.00 0.00 0.00 0.00 47.33 47.75 3g5u h GLY 342 CO 0.01 -0.22 0.36 1.46 0.00 0.00 0.00 176.54 178.15 3g5u h GLN 343 N -0.68 0.39 -0.65 4.80 1.08 -1.23 0.72 115.11 119.53 3g5u h GLN 343 Ca -0.06 -0.02 0.13 0.00 -1.45 0.00 0.00 58.65 57.25 3g5u h GLN 343 Cb 0.44 -0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 27.69 3g5u h GLN 343 CO 0.10 0.26 0.16 0.00 -0.95 0.00 0.00 178.83 178.39 3g5u h ALA 344 N 1.68 0.81 0.06 3.87 0.00 -1.15 -2.43 119.26 122.10 3g5u h ALA 344 Ca 0.52 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.59 3g5u h ALA 344 Cb 0.96 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3g5u h ALA 344 CO -0.51 -0.30 -0.20 1.03 0.00 0.00 0.00 179.25 179.26 3g5u h SER 345 N 0.28 -0.58 -0.92 0.00 0.87 0.12 -0.76 113.55 112.56 3g5u h SER 345 Ca 0.35 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.98 3g5u h SER 345 Cb 0.54 0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 62.69 3g5u h SER 345 CO -0.43 -0.28 0.57 -0.65 -0.53 0.00 0.00 176.83 175.51 3g5u h PRO 346 N -0.36 1.25 -0.61 2.24 0.11 -1.25 -1.12 132.00 132.26 3g5u h PRO 346 Ca 0.04 -0.10 0.08 0.00 0.11 0.00 0.00 66.00 66.13 3g5u h PRO 346 Cb 0.40 -0.27 -0.06 0.00 0.11 0.00 0.00 31.00 31.18 3g5u h PRO 346 CO -0.14 0.86 0.27 -0.91 -0.21 0.00 0.00 178.00 177.87 3g5u h ASN 347 N 1.27 0.33 -0.04 -2.05 -0.26 -1.03 -1.36 115.58 112.43 3g5u h ASN 347 Ca 0.33 0.06 0.01 0.00 -0.56 0.00 0.00 56.30 56.15 3g5u h ASN 347 Cb -0.08 0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.18 3g5u h ASN 347 CO -0.07 0.20 -0.03 0.40 -1.06 0.00 0.00 177.43 176.88 3g5u h ILE 348 N 0.49 0.90 -0.65 2.81 1.08 -0.62 -1.89 117.51 119.63 3g5u h ILE 348 Ca 0.30 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.85 3g5u h ILE 348 Cb 0.31 0.90 -0.11 0.00 -3.07 0.00 0.00 36.82 34.86 3g5u h ILE 348 CO -0.26 0.00 -0.50 -0.08 -0.69 0.00 0.00 178.15 176.62 3g5u h GLU 349 N -0.04 -0.21 -0.77 2.37 4.81 -0.17 -0.15 114.58 120.42 3g5u h GLU 349 Ca 0.03 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.38 3g5u h GLU 349 Cb 0.08 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.38 3g5u h GLU 349 CO -0.07 -0.14 -0.45 0.00 -0.73 0.00 0.00 179.01 177.63 3g5u h ALA 350 N 0.45 -0.21 -0.94 2.92 0.00 -0.56 -1.33 119.26 119.59 3g5u h ALA 350 Ca 0.15 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3g5u h ALA 350 Cb 0.54 1.04 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3g5u h ALA 350 CO -0.74 -0.79 0.00 0.34 0.00 0.00 0.00 179.25 178.07 3g5u n PHE 351 N -5.40 0.00 -0.32 0.00 -0.00 -0.17 -1.65 117.46 109.92 3g5u n PHE 351 Ca 0.04 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.66 3g5u n PHE 351 Cb 0.35 -0.34 0.33 0.00 -0.00 0.00 0.00 39.48 39.81 3g5u n PHE 351 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3g5u n ALA 352 N -2.04 0.57 0.43 3.13 0.00 -0.61 -1.27 120.51 120.71 3g5u n ALA 352 Ca 0.00 0.99 -0.19 0.00 0.00 0.00 0.00 53.44 54.24 3g5u n ALA 352 Cb 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 3g5u n ALA 352 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3g5u h ASN 353 N 0.00 -0.90 -0.69 0.00 4.21 -0.70 0.12 115.58 117.62 3g5u h ASN 353 Ca 0.61 0.03 0.13 0.00 1.21 0.00 0.00 56.30 58.28 3g5u h ASN 353 Cb 1.34 0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 38.73 3g5u h ASN 353 CO -0.85 -0.64 0.46 0.00 -1.29 0.00 0.00 177.43 175.11 3g5u h ALA 354 N -0.84 2.09 0.13 -0.83 0.00 -0.33 -0.02 119.26 119.47 3g5u h ALA 354 Ca -0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3g5u h ALA 354 Cb 0.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3g5u h ALA 354 CO 0.18 -0.27 -0.06 -0.09 0.00 0.00 0.00 179.25 179.01 3g5u h ARG 355 N 0.40 -0.16 -0.85 0.00 2.43 -0.68 -1.78 114.38 113.74 3g5u h ARG 355 Ca 0.33 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.61 3g5u h ARG 355 Cb 0.74 0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.21 3g5u h ARG 355 CO -0.10 -0.11 -0.43 0.41 -1.51 0.00 0.00 179.97 178.24 3g5u n GLY 356 N -0.52 -2.01 0.00 2.80 0.00 0.36 -1.19 105.19 104.64 3g5u n GLY 356 Ca -0.02 0.99 0.00 0.00 0.00 0.00 0.00 46.02 46.99 3g5u n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5u n ALA 357 N -3.45 0.00 -1.00 4.61 0.00 -0.07 -1.89 120.51 118.72 3g5u n ALA 357 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3g5u n ALA 357 Cb 0.28 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3g5u n ALA 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g5u n ALA 358 N -1.01 0.00 -0.02 0.00 0.00 -0.67 -1.71 120.51 117.11 3g5u n ALA 358 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3g5u n ALA 358 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 3g5u n ALA 358 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3g5u n TYR 359 N -0.30 -0.02 0.21 0.00 4.19 -0.33 0.17 117.16 121.08 3g5u n TYR 359 Ca 0.00 0.05 -0.09 0.00 3.31 0.00 0.00 57.90 61.17 3g5u n TYR 359 Cb 0.00 -0.51 -0.04 0.00 0.49 0.00 0.00 39.34 39.28 3g5u n TYR 359 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 3g5u h GLU 360 N 0.00 -0.57 -1.01 2.98 5.08 -1.40 -1.57 114.58 118.10 3g5u h GLU 360 Ca 0.01 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3g5u h GLU 360 Cb 0.02 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3g5u h GLU 360 CO -0.04 -0.38 0.00 1.33 -1.00 0.00 0.00 179.01 178.92 3g5u n VAL 361 N -4.76 0.67 -0.06 3.13 0.24 -0.28 -0.89 118.33 116.38 3g5u n VAL 361 Ca -0.07 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.15 3g5u n VAL 361 Cb 0.23 -0.83 -0.07 0.00 -1.47 0.00 0.00 33.84 31.70 3g5u n VAL 361 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 3g5u n PHE 362 N 0.36 0.00 0.36 6.34 -0.00 0.44 -1.49 117.46 123.46 3g5u n PHE 362 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.59 3g5u n PHE 362 Cb 0.41 -0.52 0.53 0.00 -0.00 0.00 0.00 39.48 39.90 3g5u n PHE 362 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 3g5u h LYS 363 N 0.00 0.00 0.00 -4.13 1.57 0.02 0.95 116.57 114.98 3g5u h LYS 363 Ca -0.30 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.26 3g5u h LYS 363 Cb 1.57 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.84 3g5u h LYS 363 CO -0.01 0.00 -1.27 0.82 -0.57 0.00 0.00 179.45 178.42 3g5u h ILE 364 N 0.00 1.12 0.00 1.86 2.04 -1.46 -3.36 117.51 117.71 3g5u h ILE 364 Ca 0.00 -2.82 0.00 0.00 1.00 0.00 0.00 64.86 63.04 3g5u h ILE 364 Cb 0.52 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3g5u h ILE 364 CO 0.00 0.64 0.00 -0.38 0.00 0.00 0.00 178.15 178.41 3g5u n ILE 365 N -3.16 0.00 0.00 -0.67 5.41 0.11 -4.71 119.36 116.35 3g5u n ILE 365 Ca -0.07 0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.70 3g5u n ILE 365 Cb 0.94 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.78 3g5u n ILE 365 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3g5u n ASP 366 N 0.00 0.00 0.00 4.38 9.92 0.29 -4.77 116.55 126.36 3g5u n ASP 366 Ca 0.00 0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 3g5u n ASP 366 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3g5u n ASP 366 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 3g5u n ASN 367 N -0.69 0.00 -2.98 -2.24 6.94 -1.25 -4.89 115.26 110.16 3g5u n ASN 367 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.27 3g5u n ASN 367 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 3g5u n ASN 367 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3g5u n LYS 368 N 0.00 3.59 0.00 -3.83 4.76 -1.26 -4.97 118.16 116.44 3g5u n LYS 368 Ca 0.00 -4.75 0.00 0.00 -2.87 0.00 0.00 58.31 50.69 3g5u n LYS 368 Cb 0.00 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 30.91 3g5u n LYS 368 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3g5u n PRO 369 N -0.26 0.00 0.00 1.97 -0.02 -1.26 -4.71 135.00 130.72 3g5u n PRO 369 Ca 0.35 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3g5u n PRO 369 Cb 0.40 -0.80 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 3g5u n PRO 369 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3g5u n SER 370 N -0.54 0.00 0.00 2.55 3.41 -1.26 -4.74 113.62 113.03 3g5u n SER 370 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3g5u n SER 370 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3g5u n SER 370 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3g5u n ILE 371 N 0.00 0.00 1.15 -1.33 2.08 -1.26 -4.51 119.36 115.49 3g5u n ILE 371 Ca 0.00 0.00 0.01 0.00 0.56 0.00 0.00 62.75 63.32 3g5u n ILE 371 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 39.64 38.93 3g5u n ILE 371 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3g5u n ASP 372 N 0.12 1.08 0.00 4.38 3.85 -1.26 -4.66 116.55 120.06 3g5u n ASP 372 Ca 0.00 -2.06 0.00 0.00 -0.71 0.00 0.00 54.79 52.02 3g5u n ASP 372 Cb 0.00 -0.36 0.00 0.00 -1.35 0.00 0.00 41.12 39.41 3g5u n ASP 372 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3g5u n SER 373 N -0.06 0.00 -0.50 -1.12 3.41 -1.26 -4.68 113.62 109.40 3g5u n SER 373 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3g5u n SER 373 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3g5u n SER 373 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3g5u n PHE 374 N 0.00 -1.47 0.00 7.33 -0.00 -1.26 -4.87 117.46 117.18 3g5u n PHE 374 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3g5u n PHE 374 Cb 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 39.48 39.64 3g5u n PHE 374 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3g5u n SER 375 N -1.17 0.00 -2.27 -2.13 7.64 -1.26 -4.89 113.62 109.53 3g5u n SER 375 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 3g5u n SER 375 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3g5u n SER 375 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3g5u n LYS 376 N 0.00 0.35 0.00 1.43 0.00 -1.26 -5.01 118.16 113.66 3g5u n LYS 376 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 58.31 56.47 3g5u n LYS 376 Cb 0.00 1.64 0.00 0.00 0.00 0.00 0.00 35.03 36.67 3g5u n LYS 376 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3g5u n SER 377 N -2.00 0.00 0.00 3.14 7.64 -1.26 -4.79 113.62 116.35 3g5u n SER 377 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 3g5u n SER 377 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 3g5u n SER 377 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g5u n GLY 378 N 0.00 -1.36 3.60 0.23 0.00 -1.26 -4.80 105.19 101.60 3g5u n GLY 378 Ca 0.00 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 3g5u n GLY 378 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3g5u s HIS 379 N 0.00 2.85 -0.27 1.61 2.46 -1.26 -4.84 115.29 115.83 3g5u s HIS 379 Ca 0.00 -0.08 -0.00 0.00 0.47 0.00 0.00 55.06 55.45 3g5u s HIS 379 Cb 0.00 -1.55 0.08 0.00 -0.13 0.00 0.00 32.58 30.99 3g5u s HIS 379 CO 0.00 0.40 0.05 0.15 -2.47 0.00 0.00 174.74 172.87 3g5u s LYS 380 N -1.76 0.97 -1.17 2.88 -0.14 -1.26 -0.30 119.74 118.96 3g5u s LYS 380 Ca 0.19 -1.01 -0.14 0.00 -1.36 0.00 0.00 55.97 53.65 3g5u s LYS 380 Cb -0.11 -2.26 0.17 0.00 -1.68 0.00 0.00 37.83 33.94 3g5u s LYS 380 CO 0.11 -0.83 1.38 -1.25 -0.76 0.00 0.00 175.35 173.99 3g5u s PRO 381 N 1.54 4.03 0.00 -1.68 0.04 -1.26 -4.77 135.00 132.90 3g5u s PRO 381 Ca 0.04 -2.49 0.15 0.00 0.04 0.00 0.00 61.00 58.74 3g5u s PRO 381 Cb -0.18 -5.02 0.67 0.00 0.04 0.00 0.00 34.50 30.01 3g5u s PRO 381 CO -0.16 -1.75 1.46 -0.25 0.04 0.00 0.00 177.00 176.35 3g5u n ASP 382 N 5.66 0.81 0.23 6.66 10.43 -1.26 -3.39 116.55 135.69 3g5u n ASP 382 Ca 0.34 -1.70 0.16 0.00 2.57 0.00 0.00 54.79 56.16 3g5u n ASP 382 Cb 0.43 -0.07 0.82 0.00 1.84 0.00 0.00 41.12 44.15 3g5u n ASP 382 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3g5u h ASN 383 N 1.01 0.00 0.00 -2.24 7.08 -2.06 -3.47 115.58 115.90 3g5u h ASN 383 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3g5u h ASN 383 Cb 0.22 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.46 3g5u h ASN 383 CO 0.00 0.00 0.00 -0.38 -2.08 0.00 0.00 177.43 174.97 3g5u n ILE 384 N -2.59 0.00 0.00 6.14 -0.00 -1.22 -4.94 119.36 116.75 3g5u n ILE 384 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.73 3g5u n ILE 384 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.71 3g5u n ILE 384 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 3g5u n GLN 385 N 0.00 0.00 0.00 0.38 -0.06 -1.26 -4.92 117.38 111.52 3g5u n GLN 385 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3g5u n GLN 385 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3g5u n GLN 385 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3g5u n GLY 386 N 0.00 1.29 3.79 1.69 0.00 -1.26 -4.67 105.19 106.03 3g5u n GLY 386 Ca 0.00 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 3g5u n GLY 386 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g5u s ASN 387 N 0.00 5.57 0.40 1.61 -0.87 -1.09 -4.39 114.94 116.17 3g5u s ASN 387 Ca 0.00 -0.04 -0.14 0.00 -1.57 0.00 0.00 52.86 51.11 3g5u s ASN 387 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 41.25 39.65 3g5u s ASN 387 CO 0.00 0.13 0.81 -0.76 -2.57 0.00 0.00 177.10 174.71 3g5u s LEU 388 N -2.66 3.89 -0.33 0.60 1.02 -0.71 -1.72 118.68 118.77 3g5u s LEU 388 Ca 0.30 1.31 -0.00 0.00 0.02 0.00 0.00 54.13 55.76 3g5u s LEU 388 Cb -0.11 -4.17 0.13 0.00 0.02 0.00 0.00 46.19 42.06 3g5u s LEU 388 CO 0.23 -0.36 0.24 -1.61 0.02 0.00 0.00 176.35 174.88 3g5u s GLU 389 N -3.51 0.45 -0.51 1.70 0.41 0.33 -1.74 118.70 115.84 3g5u s GLU 389 Ca 0.55 -0.86 -0.25 0.00 -0.41 0.00 0.00 54.97 53.99 3g5u s GLU 389 Cb -0.10 -1.03 0.03 0.00 -1.78 0.00 0.00 34.13 31.25 3g5u s GLU 389 CO 0.24 -1.14 0.96 -0.06 -0.49 0.00 0.00 175.26 174.77 3g5u s PHE 390 N 1.58 2.84 -0.24 1.61 2.99 0.30 -1.46 117.98 125.59 3g5u s PHE 390 Ca 0.14 0.23 -0.03 0.00 0.00 0.00 0.00 56.93 57.28 3g5u s PHE 390 Cb -0.18 -4.06 0.02 0.00 0.00 0.00 0.00 43.02 38.79 3g5u s PHE 390 CO -0.13 -1.25 -0.05 0.15 -0.00 0.00 0.00 175.22 173.94 3g5u s LYS 391 N 3.94 3.01 -0.86 0.44 1.02 -0.17 0.11 119.74 127.23 3g5u s LYS 391 Ca 0.35 -0.87 -0.10 0.00 0.02 0.00 0.00 55.97 55.37 3g5u s LYS 391 Cb -0.11 -3.01 0.01 0.00 -0.52 0.00 0.00 37.83 34.21 3g5u s LYS 391 CO 0.23 -0.34 0.57 -1.71 -0.92 0.00 0.00 175.35 173.18 3g5u n ASN 392 N 4.72 -4.13 -4.34 2.83 5.15 -0.69 -1.70 115.26 117.10 3g5u n ASN 392 Ca -0.17 -0.99 -0.34 0.00 -0.60 0.00 0.00 54.58 52.48 3g5u n ASN 392 Cb 0.48 -1.44 -0.14 0.00 -0.53 0.00 0.00 39.78 38.16 3g5u n ASN 392 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3g5u s ILE 393 N -3.14 3.25 0.16 -1.44 -0.00 0.11 -3.46 121.20 116.68 3g5u s ILE 393 Ca 0.14 -0.56 0.03 0.00 -0.00 0.00 0.00 60.65 60.27 3g5u s ILE 393 Cb -0.08 -2.43 -0.04 0.00 -0.00 0.00 0.00 42.46 39.91 3g5u s ILE 393 CO 0.84 0.47 0.23 -1.00 -0.00 0.00 0.00 174.94 175.48 3g5u s HIS 394 N 0.96 3.36 -0.28 1.37 3.76 -0.61 -1.50 115.29 122.35 3g5u s HIS 394 Ca -0.01 0.06 -0.26 0.00 -0.15 0.00 0.00 55.06 54.70 3g5u s HIS 394 Cb -0.15 -1.61 0.16 0.00 1.11 0.00 0.00 32.58 32.10 3g5u s HIS 394 CO -0.00 0.52 1.25 0.12 -0.85 0.00 0.00 174.74 175.78 3g5u s PHE 395 N -1.75 -0.22 0.08 1.40 5.36 0.31 -0.88 117.98 122.28 3g5u s PHE 395 Ca 0.33 0.50 0.08 0.00 -0.96 0.00 0.00 56.93 56.88 3g5u s PHE 395 Cb -0.11 0.44 -0.03 0.00 -0.34 0.00 0.00 43.02 42.99 3g5u s PHE 395 CO 0.27 -0.13 -0.20 0.45 -1.46 0.00 0.00 175.22 174.14 3g5u s SER 396 N -0.18 2.47 1.09 6.13 0.15 -1.26 -1.35 113.70 120.75 3g5u s SER 396 Ca 0.05 -0.63 -0.18 0.00 0.70 0.00 0.00 55.95 55.89 3g5u s SER 396 Cb -0.04 -0.15 0.08 0.00 -1.71 0.00 0.00 66.02 64.20 3g5u s SER 396 CO -0.10 0.08 0.01 -1.22 1.20 0.00 0.00 173.24 173.22 3g5u n TYR 397 N 1.33 -1.46 0.03 3.44 0.53 -1.26 -4.79 117.16 114.98 3g5u n TYR 397 Ca -0.19 0.17 0.20 0.00 -1.02 0.00 0.00 57.90 57.06 3g5u n TYR 397 Cb 0.53 -1.59 0.72 0.00 -1.03 0.00 0.00 39.34 37.97 3g5u n TYR 397 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 3g5u h PRO 398 N -1.94 0.00 -4.53 -0.72 0.13 -1.97 -3.32 132.00 119.64 3g5u h PRO 398 Ca -0.52 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.03 3g5u h PRO 398 Cb 1.35 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.55 3g5u h PRO 398 CO 0.37 0.00 2.00 0.43 -0.23 0.00 0.00 178.00 180.57 3g5u n SER 399 N -4.20 2.14 0.00 1.44 7.64 -1.26 -4.83 113.62 114.55 3g5u n SER 399 Ca 0.09 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.39 3g5u n SER 399 Cb 0.59 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 3g5u n SER 399 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3g5u n ARG 400 N 7.01 0.00 -0.00 1.43 3.00 -1.25 -2.53 116.66 124.32 3g5u n ARG 400 Ca 0.46 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 58.34 3g5u n ARG 400 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.80 3g5u n ARG 400 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3g5u n LYS 401 N 0.00 0.36 -0.95 -0.14 0.00 -1.26 -5.05 118.16 111.12 3g5u n LYS 401 Ca 0.00 -0.04 -0.34 0.00 -0.00 0.00 0.00 58.31 57.93 3g5u n LYS 401 Cb 0.00 -1.08 0.10 0.00 -0.00 0.00 0.00 35.03 34.04 3g5u n LYS 401 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3g5u n GLU 402 N -1.62 -0.09 -1.72 -1.58 4.71 -1.05 -4.82 120.64 114.47 3g5u n GLU 402 Ca -0.01 0.01 -0.40 0.00 -0.01 0.00 0.00 57.16 56.76 3g5u n GLU 402 Cb 0.11 -1.75 0.02 0.00 -1.01 0.00 0.00 31.44 28.81 3g5u n GLU 402 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 3g5u n VAL 403 N -3.12 2.86 -1.89 2.62 3.14 -1.26 -4.70 118.33 115.99 3g5u n VAL 403 Ca 0.07 -0.50 -0.23 0.00 -2.96 0.00 0.00 64.34 60.72 3g5u n VAL 403 Cb 0.53 -1.62 -0.08 0.00 -1.06 0.00 0.00 33.84 31.61 3g5u n VAL 403 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3g5u s GLN 404 N -2.39 2.05 0.13 1.45 0.00 -1.26 -4.50 119.66 115.13 3g5u s GLN 404 Ca 0.63 -0.66 -0.14 0.00 -0.00 0.00 0.00 55.36 55.19 3g5u s GLN 404 Cb -0.48 -5.10 0.07 0.00 0.00 0.00 0.00 33.01 27.51 3g5u s GLN 404 CO 0.56 -4.36 0.97 -0.89 0.00 0.00 0.00 175.29 171.56 3g5u n ILE 405 N 8.26 -0.37 -2.60 3.63 -0.00 -0.45 -0.79 119.36 127.04 3g5u n ILE 405 Ca 0.43 1.48 -0.41 0.00 -0.00 0.00 0.00 62.75 64.25 3g5u n ILE 405 Cb 0.46 -1.91 -0.03 0.00 -0.00 0.00 0.00 39.64 38.17 3g5u n ILE 405 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 3g5u s LEU 406 N -9.73 3.60 -0.15 1.39 2.01 -0.72 -4.48 118.68 110.60 3g5u s LEU 406 Ca -0.08 -1.30 0.00 0.00 0.01 0.00 0.00 54.13 52.76 3g5u s LEU 406 Cb 0.10 -2.55 0.14 0.00 0.01 0.00 0.00 46.19 43.89 3g5u s LEU 406 CO 0.42 -1.53 1.70 2.29 1.01 0.00 0.00 176.35 180.25 3g5u n LYS 407 N 8.74 1.38 -0.06 1.70 2.85 0.03 0.11 118.16 132.92 3g5u n LYS 407 Ca 0.25 -0.80 0.00 0.00 -1.05 0.00 0.00 58.31 56.71 3g5u n LYS 407 Cb 0.50 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.57 3g5u n LYS 407 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3g5u n GLY 408 N 0.57 -0.34 3.10 2.58 0.00 -1.18 -4.94 105.19 104.98 3g5u n GLY 408 Ca 0.16 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 3g5u n GLY 408 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g5u s LEU 409 N -0.00 1.97 0.01 0.99 1.98 -0.56 -4.81 118.68 118.26 3g5u s LEU 409 Ca 0.00 -0.27 0.08 0.00 -2.89 0.00 0.00 54.13 51.05 3g5u s LEU 409 Cb 0.00 -0.76 -0.02 0.00 0.66 0.00 0.00 46.19 46.07 3g5u s LEU 409 CO 0.00 0.16 -0.23 0.20 -1.89 0.00 0.00 176.35 174.59 3g5u s ASN 410 N -0.20 2.69 -0.21 3.68 0.01 -1.26 0.08 114.94 119.74 3g5u s ASN 410 Ca 0.03 -0.48 -0.31 0.00 -0.71 0.00 0.00 52.86 51.39 3g5u s ASN 410 Cb -0.07 -0.26 0.15 0.00 0.41 0.00 0.00 41.25 41.48 3g5u s ASN 410 CO 0.00 0.24 1.18 -0.22 -1.51 0.00 0.00 177.10 176.78 3g5u s LEU 411 N -0.87 -0.19 0.05 0.60 0.20 0.31 -4.94 118.68 113.84 3g5u s LEU 411 Ca 0.09 0.15 -0.04 0.00 0.69 0.00 0.00 54.13 55.02 3g5u s LEU 411 Cb -0.09 1.47 -0.02 0.00 -0.43 0.00 0.00 46.19 47.12 3g5u s LEU 411 CO 0.01 -0.22 0.06 -1.59 -0.29 0.00 0.00 176.35 174.32 3g5u s LYS 412 N -1.51 0.60 -0.22 1.98 -2.85 -1.26 0.11 119.74 116.58 3g5u s LYS 412 Ca 0.05 -0.89 -0.06 0.00 -1.00 0.00 0.00 55.97 54.07 3g5u s LYS 412 Cb -0.01 0.23 0.11 0.00 -2.06 0.00 0.00 37.83 36.10 3g5u s LYS 412 CO -0.04 -0.14 0.44 0.54 0.10 0.00 0.00 175.35 176.25 3g5u s VAL 413 N -3.01 -0.69 1.13 1.79 0.11 -0.71 -4.95 120.40 114.06 3g5u s VAL 413 Ca -0.02 0.08 -0.14 0.00 -2.93 0.00 0.00 61.98 58.98 3g5u s VAL 413 Cb 0.01 -0.75 0.22 0.00 -1.53 0.00 0.00 36.38 34.33 3g5u s VAL 413 CO -0.07 0.01 0.76 0.29 -3.33 0.00 0.00 175.10 172.77 3g5u n LYS 414 N 5.39 -1.98 -1.13 1.54 4.01 -1.26 -1.74 118.16 122.99 3g5u n LYS 414 Ca -0.07 -0.55 -0.30 0.00 -0.51 0.00 0.00 58.31 56.89 3g5u n LYS 414 Cb 0.50 -2.06 0.22 0.00 -0.51 0.00 0.00 35.03 33.17 3g5u n LYS 414 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3g5u s SER 415 N -2.27 1.42 0.00 4.39 1.04 -1.26 -3.62 113.70 113.39 3g5u s SER 415 Ca 0.65 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.84 3g5u s SER 415 Cb -0.22 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 64.79 3g5u s SER 415 CO 0.65 -3.83 0.00 0.61 0.98 0.00 0.00 173.24 171.65 3g5u n GLY 416 N -1.08 0.00 0.17 7.32 0.00 -1.26 -4.78 105.19 105.57 3g5u n GLY 416 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 3g5u n GLY 416 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g5u n GLN 417 N 0.34 -0.59 -3.65 1.61 6.02 -1.24 -4.62 117.38 115.26 3g5u n GLN 417 Ca 0.00 -0.09 -0.03 0.00 -0.01 0.00 0.00 57.00 56.87 3g5u n GLN 417 Cb 0.00 -0.07 -0.06 0.00 1.02 0.00 0.00 30.24 31.13 3g5u n GLN 417 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3g5u s THR 418 N -1.12 -0.89 -0.05 5.09 -4.23 -1.26 -1.59 115.64 111.60 3g5u s THR 418 Ca 0.03 0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.61 3g5u s THR 418 Cb -0.00 -0.90 -0.03 0.00 1.34 0.00 0.00 72.50 72.91 3g5u s THR 418 CO 0.03 0.02 -0.06 0.54 -0.54 0.00 0.00 174.62 174.61 3g5u s VAL 419 N 2.81 3.77 -0.18 2.29 0.11 0.64 -1.73 120.40 128.12 3g5u s VAL 419 Ca -0.04 -0.53 -0.07 0.00 -2.93 0.00 0.00 61.98 58.40 3g5u s VAL 419 Cb -0.12 -2.58 -0.04 0.00 -1.53 0.00 0.00 36.38 32.11 3g5u s VAL 419 CO -0.17 0.54 0.05 0.00 -3.33 0.00 0.00 175.10 172.19 3g5u s ALA 420 N -0.88 3.38 -0.13 1.54 0.00 0.12 0.12 121.76 125.91 3g5u s ALA 420 Ca 0.14 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 3g5u s ALA 420 Cb -0.11 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 3g5u s ALA 420 CO 0.03 0.19 -0.01 -0.51 0.00 0.00 0.00 175.76 175.47 3g5u s LEU 421 N 0.35 3.47 -0.24 0.00 1.02 0.12 -1.65 118.68 121.74 3g5u s LEU 421 Ca 0.03 0.01 0.02 0.00 0.02 0.00 0.00 54.13 54.21 3g5u s LEU 421 Cb -0.12 -1.83 0.05 0.00 0.02 0.00 0.00 46.19 44.31 3g5u s LEU 421 CO 0.00 0.25 -0.12 0.68 0.02 0.00 0.00 176.35 177.18 3g5u s VAL 422 N -0.10 2.07 0.23 -1.59 -7.23 -0.54 -2.44 120.40 110.80 3g5u s VAL 422 Ca 0.04 -1.46 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 3g5u s VAL 422 Cb -0.13 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.66 3g5u s VAL 422 CO 0.02 0.06 0.24 0.61 -0.31 0.00 0.00 175.10 175.72 3g5u n GLY 423 N 4.49 2.99 2.06 2.32 0.00 -1.24 0.13 105.19 115.94 3g5u n GLY 423 Ca -0.15 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3g5u n GLY 423 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g5u n ASN 424 N -2.01 -1.16 -0.54 1.61 5.15 -1.26 -4.78 115.26 112.27 3g5u n ASN 424 Ca 0.04 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 3g5u n ASN 424 Cb 0.40 1.38 0.00 0.00 -0.53 0.00 0.00 39.78 41.03 3g5u n ASN 424 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3g5u n SER 425 N -2.79 0.36 -0.98 1.20 3.41 -1.26 -4.78 113.62 108.78 3g5u n SER 425 Ca 0.00 -0.63 0.07 0.00 -0.26 0.00 0.00 58.87 58.05 3g5u n SER 425 Cb 0.00 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 63.77 3g5u n SER 425 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g5u n GLY 426 N 0.38 -1.09 2.61 5.00 0.00 -1.26 -4.19 105.19 106.64 3g5u n GLY 426 Ca 0.00 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 3g5u n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5u n GLY 428 N -1.26 -1.84 0.00 0.00 0.00 -1.26 -2.21 105.19 98.61 3g5u n GLY 428 Ca -0.12 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3g5u n GLY 428 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g5u n LYS 429 N -1.37 0.00 -0.31 1.61 4.01 -1.26 0.23 118.16 121.07 3g5u n LYS 429 Ca 0.00 0.05 0.11 0.00 -0.51 0.00 0.00 58.31 57.95 3g5u n LYS 429 Cb 0.00 -0.10 0.21 0.00 -0.51 0.00 0.00 35.03 34.64 3g5u n LYS 429 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3g5u n SER 430 N -0.53 -0.18 -0.21 4.39 3.41 -1.26 -1.07 113.62 118.17 3g5u n SER 430 Ca 0.00 1.53 -0.06 0.00 -0.26 0.00 0.00 58.87 60.08 3g5u n SER 430 Cb 0.00 -0.52 0.04 0.00 -0.26 0.00 0.00 64.21 63.47 3g5u n SER 430 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3g5u h THR 431 N 0.00 1.14 -0.75 6.66 2.02 0.25 0.37 112.91 122.60 3g5u h THR 431 Ca 0.50 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.38 3g5u h THR 431 Cb 0.95 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3g5u h THR 431 CO -0.87 0.15 0.37 0.71 0.37 0.00 0.00 175.52 176.24 3g5u h THR 432 N 0.80 1.24 0.00 3.16 1.35 -0.29 0.98 112.91 120.14 3g5u h THR 432 Ca 0.22 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3g5u h THR 432 Cb -0.08 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 66.64 3g5u h THR 432 CO -0.06 0.28 0.01 0.58 -0.25 0.00 0.00 175.52 176.08 3g5u h VAL 433 N 1.06 0.00 0.00 6.82 2.07 -0.46 -1.69 116.25 124.04 3g5u h VAL 433 Ca 0.26 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.78 3g5u h VAL 433 Cb 0.11 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3g5u h VAL 433 CO -0.03 0.00 0.00 1.67 0.02 0.00 0.00 177.57 179.23 3g5u n GLN 434 N -2.80 0.00 0.08 1.57 -0.06 0.33 -3.90 117.38 112.60 3g5u n GLN 434 Ca -0.02 0.00 0.03 0.00 -2.00 0.00 0.00 57.00 55.01 3g5u n GLN 434 Cb 0.06 -0.51 0.16 0.00 -4.06 0.00 0.00 30.24 25.90 3g5u n GLN 434 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 3g5u n LEU 435 N -0.37 0.15 0.00 1.69 -0.00 -0.50 -0.26 117.00 117.70 3g5u n LEU 435 Ca 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 3g5u n LEU 435 Cb 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.07 3g5u n LEU 435 CO 0.00 -0.44 0.14 0.80 -0.00 0.00 0.00 177.39 177.89 3g5u n MET 436 N -1.64 0.28 -0.16 1.47 1.56 -0.64 0.28 117.12 118.27 3g5u n MET 436 Ca -0.00 0.00 0.01 0.00 -0.27 0.00 0.00 57.70 57.44 3g5u n MET 436 Cb 0.31 -1.00 0.02 0.00 2.15 0.00 0.00 33.22 34.70 3g5u n MET 436 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 3g5u n GLN 437 N -0.50 0.68 -0.77 2.12 6.02 0.64 -4.96 117.38 120.60 3g5u n GLN 437 Ca 0.00 -1.09 0.00 0.00 -0.01 0.00 0.00 57.00 55.90 3g5u n GLN 437 Cb 0.00 -0.71 0.00 0.00 1.02 0.00 0.00 30.24 30.55 3g5u n GLN 437 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3g5u n ARG 438 N -0.27 -0.93 -0.27 -1.09 0.00 0.82 -4.77 116.66 110.15 3g5u n ARG 438 Ca 0.02 0.23 0.18 0.00 -0.00 0.00 0.00 57.85 58.29 3g5u n ARG 438 Cb 0.54 -4.59 0.35 0.00 0.00 0.00 0.00 32.46 28.75 3g5u n ARG 438 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3g5u n LEU 439 N 0.00 0.08 -3.94 6.15 -0.00 -1.26 -3.96 117.00 114.07 3g5u n LEU 439 Ca 0.00 1.34 -0.16 0.00 -0.00 0.00 0.00 56.01 57.20 3g5u n LEU 439 Cb 0.23 -0.57 -0.15 0.00 -0.00 0.00 0.00 43.42 42.94 3g5u n LEU 439 CO 0.00 -1.43 -0.40 -0.31 -0.00 0.00 0.00 177.39 175.25 3g5u s TYR 440 N -5.49 0.45 0.48 1.96 1.51 -1.26 -4.69 117.35 110.30 3g5u s TYR 440 Ca -0.09 -0.08 -0.21 0.00 -1.01 0.00 0.00 57.07 55.68 3g5u s TYR 440 Cb 0.25 -0.30 -0.08 0.00 -0.11 0.00 0.00 41.96 41.72 3g5u s TYR 440 CO 0.62 -0.02 1.08 0.34 -1.11 0.00 0.00 175.55 176.47 3g5u s ASP 441 N -0.02 6.22 0.27 2.29 2.15 -1.25 -4.59 116.67 121.74 3g5u s ASP 441 Ca 0.01 2.07 -0.30 0.00 0.43 0.00 0.00 52.55 54.76 3g5u s ASP 441 Cb -0.03 -2.58 -0.11 0.00 -0.30 0.00 0.00 42.92 39.91 3g5u s ASP 441 CO -0.00 -0.87 1.54 -2.16 -0.17 0.00 0.00 175.17 173.51 3g5u s PRO 442 N -3.03 4.18 0.14 4.34 0.04 -1.26 -4.90 135.00 134.50 3g5u s PRO 442 Ca 0.67 2.47 -0.17 0.00 0.04 0.00 0.00 61.00 64.00 3g5u s PRO 442 Cb -0.21 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 3g5u s PRO 442 CO 0.25 -0.55 1.76 1.25 0.04 0.00 0.00 177.00 179.75 3g5u h LEU 443 N 4.96 0.41 -7.63 -3.56 6.46 -1.83 -3.45 115.31 110.65 3g5u h LEU 443 Ca -0.47 -0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.16 3g5u h LEU 443 Cb 1.22 -0.10 -0.14 0.00 -0.73 0.00 0.00 40.66 40.91 3g5u h LEU 443 CO 0.79 0.35 -0.25 -0.62 -0.62 0.00 0.00 178.44 178.09 3g5u s ASP 444 N -5.58 -0.03 0.01 1.25 2.15 -0.06 -4.94 116.67 109.48 3g5u s ASP 444 Ca -0.13 -0.50 0.00 0.00 0.43 0.00 0.00 52.55 52.35 3g5u s ASP 444 Cb 0.10 0.39 0.00 0.00 -0.30 0.00 0.00 42.92 43.11 3g5u s ASP 444 CO 0.72 -0.77 0.00 0.61 -0.17 0.00 0.00 175.17 175.56 3g5u n GLY 445 N -0.09 0.26 0.00 2.66 0.00 -1.22 -1.57 105.19 105.22 3g5u n GLY 445 Ca -0.16 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3g5u n GLY 445 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3g5u n MET 446 N 10.37 -2.54 -4.03 1.61 0.00 -0.69 -4.94 117.12 116.91 3g5u n MET 446 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.61 3g5u n MET 446 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.11 3g5u n MET 446 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3g5u s VAL 447 N -2.00 0.21 -0.01 3.17 0.11 -1.26 -1.00 120.40 119.62 3g5u s VAL 447 Ca 0.00 -1.24 0.02 0.00 -2.93 0.00 0.00 61.98 57.83 3g5u s VAL 447 Cb 0.00 -0.73 -0.00 0.00 -1.53 0.00 0.00 36.38 34.12 3g5u s VAL 447 CO 0.00 -0.66 -0.05 -0.55 -3.33 0.00 0.00 175.10 170.51 3g5u s SER 448 N -1.98 0.65 0.29 3.54 0.15 -0.54 -1.41 113.70 114.41 3g5u s SER 448 Ca -0.07 -0.10 0.06 0.00 0.70 0.00 0.00 55.95 56.54 3g5u s SER 448 Cb -0.04 -0.10 -0.02 0.00 -1.71 0.00 0.00 66.02 64.15 3g5u s SER 448 CO -0.04 0.05 0.35 -0.51 1.20 0.00 0.00 173.24 174.30 3g5u s ILE 449 N -0.02 4.38 0.00 6.45 1.10 0.16 -0.51 121.20 132.76 3g5u s ILE 449 Ca 0.01 -1.15 0.00 0.00 -0.51 0.00 0.00 60.65 59.00 3g5u s ILE 449 Cb -0.03 -3.49 0.00 0.00 0.15 0.00 0.00 42.46 39.08 3g5u s ILE 449 CO -0.00 -0.25 0.00 -0.67 -2.11 0.00 0.00 174.94 171.91 3g5u n ASP 450 N -1.43 0.00 -0.05 4.50 4.64 -0.70 0.39 116.55 123.90 3g5u n ASP 450 Ca -0.05 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.37 3g5u n ASP 450 Cb 0.58 0.00 0.01 0.00 -1.04 0.00 0.00 41.12 40.67 3g5u n ASP 450 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3g5u n GLY 451 N 0.00 2.41 3.93 0.27 0.00 -1.26 -2.66 105.19 107.87 3g5u n GLY 451 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 3g5u n GLY 451 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g5u s GLN 452 N -0.88 2.86 -0.12 1.61 -0.21 0.16 -5.02 119.66 118.06 3g5u s GLN 452 Ca 0.02 -1.21 -0.24 0.00 0.02 0.00 0.00 55.36 53.95 3g5u s GLN 452 Cb 0.01 -2.63 -0.03 0.00 1.00 0.00 0.00 33.01 31.36 3g5u s GLN 452 CO 0.01 -0.01 0.75 0.34 -2.12 0.00 0.00 175.29 174.27 3g5u s ASP 453 N -4.13 6.94 0.09 5.90 -1.08 -1.26 0.38 116.67 123.51 3g5u s ASP 453 Ca 0.45 1.15 -0.18 0.00 -0.52 0.00 0.00 52.55 53.46 3g5u s ASP 453 Cb -0.07 -2.43 -0.04 0.00 -1.46 0.00 0.00 42.92 38.92 3g5u s ASP 453 CO 0.29 -0.26 1.16 0.00 0.52 0.00 0.00 175.17 176.89 3g5u n ILE 454 N 4.30 -0.39 -0.32 4.11 3.06 -0.50 -0.39 119.36 129.23 3g5u n ILE 454 Ca 0.01 1.81 0.24 0.00 -2.50 0.00 0.00 62.75 62.31 3g5u n ILE 454 Cb 0.50 -2.28 0.46 0.00 0.54 0.00 0.00 39.64 38.86 3g5u n ILE 454 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 3g5u h ARG 455 N 0.00 0.12 -0.36 9.51 3.08 -1.94 -1.00 114.38 123.79 3g5u h ARG 455 Ca 0.09 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3g5u h ARG 455 Cb 0.23 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3g5u h ARG 455 CO -0.54 0.08 0.04 1.79 -1.07 0.00 0.00 179.97 180.28 3g5u h THR 456 N 0.12 1.19 -4.33 2.04 1.35 -1.10 -3.44 112.91 108.73 3g5u h THR 456 Ca 0.73 -0.70 -0.51 0.00 -0.55 0.00 0.00 66.41 65.38 3g5u h THR 456 Cb 1.74 0.87 0.06 0.00 -1.73 0.00 0.00 68.15 69.09 3g5u h THR 456 CO -0.73 0.25 0.41 0.27 -0.25 0.00 0.00 175.52 175.46 3g5u s ILE 457 N -5.06 4.71 0.49 6.82 -4.36 -0.38 -4.21 121.20 119.22 3g5u s ILE 457 Ca -0.08 0.86 -0.22 0.00 -0.26 0.00 0.00 60.65 60.96 3g5u s ILE 457 Cb 0.16 -3.87 -0.07 0.00 1.25 0.00 0.00 42.46 39.93 3g5u s ILE 457 CO 0.76 -1.14 1.17 0.21 0.24 0.00 0.00 174.94 176.18 3g5u s ASN 458 N -4.17 5.98 0.00 4.36 3.04 0.58 -4.69 114.94 120.04 3g5u s ASN 458 Ca 0.55 2.30 0.00 0.00 0.04 0.00 0.00 52.86 55.75 3g5u s ASN 458 Cb -0.11 -2.60 0.00 0.00 -1.54 0.00 0.00 41.25 37.00 3g5u s ASN 458 CO 0.54 -1.05 0.69 0.52 -3.04 0.00 0.00 177.10 174.76 3g5u n VAL 459 N -0.75 0.00 -0.21 -5.21 0.31 -1.26 -1.10 118.33 110.11 3g5u n VAL 459 Ca 0.09 1.17 0.12 0.00 -0.01 0.00 0.00 64.34 65.70 3g5u n VAL 459 Cb 0.49 -2.11 0.22 0.00 -0.91 0.00 0.00 33.84 31.53 3g5u n VAL 459 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3g5u n ARG 460 N -1.48 -0.05 0.16 5.55 0.63 -1.26 0.34 116.66 120.55 3g5u n ARG 460 Ca 0.00 0.91 -0.14 0.00 -0.92 0.00 0.00 57.85 57.70 3g5u n ARG 460 Cb 0.00 -1.48 -0.08 0.00 0.45 0.00 0.00 32.46 31.35 3g5u n ARG 460 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 3g5u h TYR 461 N 0.00 -0.36 0.00 -0.14 5.03 -1.93 -1.93 116.97 117.64 3g5u h TYR 461 Ca 0.41 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.71 3g5u h TYR 461 Cb 0.91 0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.31 3g5u h TYR 461 CO -0.24 -0.07 0.00 -0.11 -1.32 0.00 0.00 178.16 176.41 3g5u n LEU 462 N -5.16 0.00 -0.43 2.82 7.94 1.05 -1.07 117.00 122.15 3g5u n LEU 462 Ca -0.10 0.91 0.36 0.00 -1.11 0.00 0.00 56.01 56.07 3g5u n LEU 462 Cb 0.24 -0.41 0.60 0.00 0.53 0.00 0.00 43.42 44.39 3g5u n LEU 462 CO 0.32 -0.41 1.09 0.54 -1.11 0.00 0.00 177.39 177.83 3g5u n ARG 463 N -2.14 -0.03 0.05 1.96 5.12 -0.17 0.38 116.66 121.83 3g5u n ARG 463 Ca 0.00 1.09 -0.12 0.00 -1.93 0.00 0.00 57.85 56.89 3g5u n ARG 463 Cb 0.00 -2.17 -0.08 0.00 -1.16 0.00 0.00 32.46 29.05 3g5u n ARG 463 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3g5u h GLU 464 N 0.00 -0.19 0.00 5.56 5.08 -0.34 -3.20 114.58 121.49 3g5u h GLU 464 Ca 0.78 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 59.15 3g5u h GLU 464 Cb 2.56 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.85 3g5u h GLU 464 CO -0.38 0.26 0.00 -0.89 -1.00 0.00 0.00 179.01 177.00 3g5u n ILE 465 N -4.93 0.00 -3.70 3.13 2.08 0.16 -4.13 119.36 111.97 3g5u n ILE 465 Ca -0.08 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 62.94 3g5u n ILE 465 Cb 0.27 -0.69 -0.13 0.00 -0.75 0.00 0.00 39.64 38.34 3g5u n ILE 465 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3g5u s ILE 466 N -2.00 1.41 0.31 1.39 1.01 -0.76 -2.77 121.20 119.79 3g5u s ILE 466 Ca 0.04 -2.67 -0.29 0.00 0.00 0.00 0.00 60.65 57.72 3g5u s ILE 466 Cb 0.02 -1.98 -0.11 0.00 0.01 0.00 0.00 42.46 40.40 3g5u s ILE 466 CO 0.03 -0.93 1.47 -0.83 0.00 0.00 0.00 174.94 174.68 3g5u s GLY 467 N 0.21 2.58 -0.09 6.18 0.00 0.98 -4.90 107.32 112.28 3g5u s GLY 467 Ca 0.19 1.46 -0.04 0.00 0.00 0.00 0.00 44.72 46.33 3g5u s GLY 467 CO -0.03 2.28 0.19 0.14 0.00 0.00 0.00 173.10 175.69 3g5u s VAL 468 N -0.55 -0.11 -0.21 1.40 1.01 -1.26 -1.56 120.40 119.12 3g5u s VAL 468 Ca 0.56 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 3g5u s VAL 468 Cb -0.44 -0.31 0.07 0.00 0.00 0.00 0.00 36.38 35.69 3g5u s VAL 468 CO 0.52 0.08 0.04 -0.69 0.00 0.00 0.00 175.10 175.06 3g5u s VAL 469 N 1.48 0.59 0.35 2.92 1.01 -0.62 -4.95 120.40 121.17 3g5u s VAL 469 Ca -0.07 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3g5u s VAL 469 Cb -0.11 -1.14 0.06 0.00 0.00 0.00 0.00 36.38 35.19 3g5u s VAL 469 CO -0.07 -0.28 0.48 -1.54 0.00 0.00 0.00 175.10 173.70 3g5u n SER 470 N 5.02 0.98 0.00 3.32 3.41 -1.26 -1.84 113.62 123.24 3g5u n SER 470 Ca -0.08 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 3g5u n SER 470 Cb 0.46 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3g5u n SER 470 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g5u n GLN 471 N -1.82 0.00 -0.59 4.33 0.00 -1.17 -4.51 117.38 113.61 3g5u n GLN 471 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 57.00 56.92 3g5u n GLN 471 Cb 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.51 3g5u n GLN 471 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 3g5u n GLU 472 N 0.00 0.00 -2.94 2.61 4.07 -1.26 -4.79 120.64 118.32 3g5u n GLU 472 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 3g5u n GLU 472 Cb 0.00 -0.60 -0.05 0.00 -0.06 0.00 0.00 31.44 30.73 3g5u n GLU 472 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3g5u s PRO 473 N 3.48 3.62 -0.14 5.31 0.04 -1.26 -5.02 135.00 141.04 3g5u s PRO 473 Ca 0.54 0.17 -0.07 0.00 0.04 0.00 0.00 61.00 61.67 3g5u s PRO 473 Cb -0.52 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.12 3g5u s PRO 473 CO 0.20 -0.97 0.12 0.54 0.04 0.00 0.00 177.00 176.93 3g5u s VAL 474 N 3.23 5.34 -0.08 -0.36 0.11 -1.26 -4.74 120.40 122.63 3g5u s VAL 474 Ca 0.31 0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.53 3g5u s VAL 474 Cb -0.13 -3.35 0.02 0.00 -1.53 0.00 0.00 36.38 31.39 3g5u s VAL 474 CO 0.20 0.57 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.65 3g5u s LEU 475 N -0.59 1.58 0.82 2.54 1.43 -1.26 -4.98 118.68 118.22 3g5u s LEU 475 Ca 0.12 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 3g5u s LEU 475 Cb -0.12 -0.89 0.08 0.00 0.03 0.00 0.00 46.19 45.30 3g5u s LEU 475 CO 0.02 0.00 1.09 -0.36 0.23 0.00 0.00 176.35 177.33 3g5u s PHE 476 N 0.93 2.58 -0.83 0.29 0.40 -1.26 -1.26 117.98 118.82 3g5u s PHE 476 Ca -0.09 1.33 -0.25 0.00 -0.60 0.00 0.00 56.93 57.32 3g5u s PHE 476 Cb -0.15 -3.09 -0.03 0.00 0.51 0.00 0.00 43.02 40.26 3g5u s PHE 476 CO 0.00 -1.98 1.85 0.00 0.70 0.00 0.00 175.22 175.79 3g5u s ALA 477 N -2.99 1.93 0.00 5.36 0.00 -1.26 -4.71 121.76 120.09 3g5u s ALA 477 Ca 0.62 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3g5u s ALA 477 Cb -0.17 -4.48 0.00 0.00 0.00 0.00 0.00 23.12 18.48 3g5u s ALA 477 CO 0.56 -4.41 0.00 2.41 0.00 0.00 0.00 175.76 174.32 3g5u n THR 478 N 7.56 0.00 -1.75 0.00 -1.04 -1.26 -4.88 114.28 112.91 3g5u n THR 478 Ca 0.33 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 62.03 3g5u n THR 478 Cb 0.49 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.03 3g5u n THR 478 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3g5u s THR 479 N -2.67 4.10 0.08 12.58 -4.23 -1.25 -1.60 115.64 122.65 3g5u s THR 479 Ca 0.00 0.76 -0.33 0.00 -1.18 0.00 0.00 61.69 60.93 3g5u s THR 479 Cb 0.00 -3.47 -0.16 0.00 1.34 0.00 0.00 72.50 70.21 3g5u s THR 479 CO 0.00 -0.82 1.60 0.40 -0.54 0.00 0.00 174.62 175.26 3g5u h ILE 480 N -0.35 0.19 -0.29 2.99 1.08 -0.67 -2.21 117.51 118.25 3g5u h ILE 480 Ca -0.45 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.05 3g5u h ILE 480 Cb 1.21 0.19 -0.03 0.00 -3.07 0.00 0.00 36.82 35.11 3g5u h ILE 480 CO 0.58 0.00 -0.17 0.00 -0.69 0.00 0.00 178.15 177.87 3g5u n ALA 481 N -2.66 -0.19 -0.36 1.87 0.00 -0.85 -0.11 120.51 118.22 3g5u n ALA 481 Ca -0.12 0.25 0.27 0.00 0.00 0.00 0.00 53.44 53.83 3g5u n ALA 481 Cb 0.41 0.27 0.54 0.00 0.00 0.00 0.00 19.45 20.67 3g5u n ALA 481 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3g5u h GLU 482 N 0.00 0.30 0.00 0.00 4.39 -1.81 0.46 114.58 117.92 3g5u h GLU 482 Ca 0.05 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3g5u h GLU 482 Cb 0.12 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3g5u h GLU 482 CO -0.27 0.20 -0.00 -0.91 -1.16 0.00 0.00 179.01 176.86 3g5u h ASN 483 N 0.31 -0.00 -0.85 1.42 2.35 0.13 0.22 115.58 119.15 3g5u h ASN 483 Ca 0.67 -0.34 0.09 0.00 -0.55 0.00 0.00 56.30 56.17 3g5u h ASN 483 Cb 1.81 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 40.11 3g5u h ASN 483 CO -0.37 0.34 0.50 0.40 -1.65 0.00 0.00 177.43 176.66 3g5u h ILE 484 N -0.35 0.95 -0.69 2.81 5.03 0.09 0.31 117.51 125.66 3g5u h ILE 484 Ca -0.00 -0.30 0.06 0.00 -0.12 0.00 0.00 64.86 64.51 3g5u h ILE 484 Cb 0.34 0.01 -0.04 0.00 -3.03 0.00 0.00 36.82 34.10 3g5u h ILE 484 CO 0.00 0.16 0.46 -0.09 -0.68 0.00 0.00 178.15 178.00 3g5u h ARG 485 N 0.86 0.70 -0.90 2.37 9.65 0.29 0.76 114.38 128.11 3g5u h ARG 485 Ca 0.40 -0.04 0.07 0.00 -1.10 0.00 0.00 59.98 59.31 3g5u h ARG 485 Cb 0.32 -0.16 -0.06 0.00 -1.39 0.00 0.00 29.97 28.68 3g5u h ARG 485 CO -0.23 0.46 0.59 1.88 2.80 0.00 0.00 179.97 185.47 3g5u h TYR 486 N 0.72 1.03 -0.80 2.20 0.99 0.29 0.60 116.97 122.01 3g5u h TYR 486 Ca 0.30 0.03 0.13 0.00 2.00 0.00 0.00 58.73 61.18 3g5u h TYR 486 Cb 0.25 -0.34 -0.09 0.00 1.00 0.00 0.00 36.73 37.56 3g5u h TYR 486 CO -0.00 0.53 0.39 0.78 -0.00 0.00 0.00 178.16 179.86 3g5u h GLY 487 N 1.00 1.25 -6.58 3.88 0.00 0.12 -3.39 103.07 99.35 3g5u h GLY 487 Ca 0.39 -0.23 -0.23 0.00 0.00 0.00 0.00 47.33 47.27 3g5u h GLY 487 CO -0.15 -0.01 -0.54 -1.60 0.00 0.00 0.00 176.54 174.23 3g5u s ARG 488 N -6.01 0.26 0.00 4.80 3.52 0.20 -4.62 118.95 117.11 3g5u s ARG 488 Ca -0.12 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.91 3g5u s ARG 488 Cb 0.20 -0.72 0.00 0.00 -1.56 0.00 0.00 34.95 32.87 3g5u s ARG 488 CO 0.77 -0.60 0.18 0.39 -0.81 0.00 0.00 175.30 175.23 3g5u n GLU 489 N 5.34 0.00 -2.20 5.12 4.71 -0.77 -4.29 120.64 128.55 3g5u n GLU 489 Ca -0.05 0.17 -0.41 0.00 -0.01 0.00 0.00 57.16 56.86 3g5u n GLU 489 Cb 0.50 -0.68 -0.03 0.00 -1.01 0.00 0.00 31.44 30.22 3g5u n GLU 489 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 3g5u s ASP 490 N -2.97 6.89 0.00 1.62 1.47 -1.26 -4.90 116.67 117.52 3g5u s ASP 490 Ca 0.00 2.50 0.00 0.00 1.18 0.00 0.00 52.55 56.23 3g5u s ASP 490 Cb 0.00 -2.63 0.00 0.00 -0.34 0.00 0.00 42.92 39.95 3g5u s ASP 490 CO 0.00 -0.49 0.00 0.55 0.68 0.00 0.00 175.17 175.91 3g5u n VAL 491 N 1.75 0.00 -3.67 2.11 3.14 -1.26 -5.12 118.33 115.29 3g5u n VAL 491 Ca 0.03 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.05 3g5u n VAL 491 Cb 0.42 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.15 3g5u n VAL 491 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3g5u s THR 492 N -0.20 5.21 0.06 1.55 2.01 -1.26 -4.92 115.64 118.08 3g5u s THR 492 Ca 0.00 0.42 0.05 0.00 0.31 0.00 0.00 61.69 62.46 3g5u s THR 492 Cb 0.00 -3.60 0.05 0.00 0.01 0.00 0.00 72.50 68.96 3g5u s THR 492 CO 0.00 0.44 0.92 1.15 -0.69 0.00 0.00 174.62 176.44 3g5u n MET 493 N 1.37 0.04 -0.02 4.92 0.00 -1.26 0.36 117.12 122.53 3g5u n MET 493 Ca -0.12 0.42 -0.17 0.00 0.00 0.00 0.00 57.70 57.83 3g5u n MET 493 Cb 0.53 -2.10 -0.08 0.00 0.00 0.00 0.00 33.22 31.56 3g5u n MET 493 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 3g5u h ASP 494 N 0.00 0.72 -0.17 3.17 3.32 -1.97 0.96 116.42 122.46 3g5u h ASP 494 Ca 0.00 -0.64 -0.08 0.00 0.02 0.00 0.00 57.03 56.32 3g5u h ASP 494 Cb 0.97 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 3g5u h ASP 494 CO 0.00 1.25 -0.22 -0.33 -1.72 0.00 0.00 179.24 178.22 3g5u h GLU 495 N 0.25 0.45 -0.11 3.56 3.07 0.60 -0.62 114.58 121.78 3g5u h GLU 495 Ca -0.04 -0.25 0.01 0.00 -0.50 0.00 0.00 59.36 58.57 3g5u h GLU 495 Cb 1.24 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.16 3g5u h GLU 495 CO 0.12 0.83 0.04 0.82 -1.40 0.00 0.00 179.01 179.43 3g5u h ILE 496 N 0.09 0.98 -0.48 3.13 5.03 -1.28 0.97 117.51 125.95 3g5u h ILE 496 Ca 0.02 -0.03 0.06 0.00 -0.12 0.00 0.00 64.86 64.79 3g5u h ILE 496 Cb 0.78 0.88 -0.09 0.00 -3.03 0.00 0.00 36.82 35.35 3g5u h ILE 496 CO 0.05 0.02 -0.54 -0.08 -0.68 0.00 0.00 178.15 176.92 3g5u h GLU 497 N 0.10 -0.33 0.03 2.37 4.81 0.11 0.49 114.58 122.16 3g5u h GLU 497 Ca 0.05 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3g5u h GLU 497 Cb 0.02 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 3g5u h GLU 497 CO -0.04 -0.22 -0.52 -0.22 -0.73 0.00 0.00 179.01 177.28 3g5u h LYS 498 N -0.34 -0.65 -0.61 1.92 3.11 0.06 -1.63 116.57 118.42 3g5u h LYS 498 Ca 0.10 0.04 0.06 0.00 -2.81 0.00 0.00 60.65 58.04 3g5u h LYS 498 Cb 0.58 0.15 -0.08 0.00 -1.00 0.00 0.00 32.23 31.88 3g5u h LYS 498 CO -0.64 -0.44 -0.38 0.00 -2.81 0.00 0.00 179.45 175.18 3g5u h ALA 499 N -0.38 -0.38 0.10 5.00 0.00 0.38 0.23 119.26 124.20 3g5u h ALA 499 Ca 0.01 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3g5u h ALA 499 Cb 0.72 1.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 3g5u h ALA 499 CO -0.34 -0.65 -0.38 -0.39 0.00 0.00 0.00 179.25 177.49 3g5u h VAL 500 N -0.03 0.00 -1.02 0.00 -1.51 0.17 0.18 116.25 114.04 3g5u h VAL 500 Ca 0.10 0.00 0.34 0.00 -1.23 0.00 0.00 66.70 65.91 3g5u h VAL 500 Cb 0.28 0.00 -0.15 0.00 -2.13 0.00 0.00 31.29 29.29 3g5u h VAL 500 CO -0.59 0.00 0.59 0.50 -1.23 0.00 0.00 177.57 176.84 3g5u h LYS 501 N -0.55 0.25 -0.31 5.19 3.64 -0.73 1.36 116.57 125.42 3g5u h LYS 501 Ca -0.01 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 3g5u h LYS 501 Cb 0.55 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3g5u h LYS 501 CO -0.20 0.17 -0.19 1.49 -2.27 0.00 0.00 179.45 178.45 3g5u h GLU 502 N 0.26 0.56 -1.05 1.90 4.81 0.22 -2.09 114.58 119.19 3g5u h GLU 502 Ca 0.76 -0.20 -0.64 0.00 -0.13 0.00 0.00 59.36 59.15 3g5u h GLU 502 Cb 1.83 -0.04 -0.27 0.00 0.63 0.00 0.00 28.75 30.89 3g5u h GLU 502 CO -0.61 0.73 0.83 0.00 -0.73 0.00 0.00 179.01 179.23 3g5u n ALA 503 N -2.49 6.22 -3.62 2.92 0.00 0.46 -4.90 120.51 119.10 3g5u n ALA 503 Ca 0.00 -3.29 -0.19 0.00 0.00 0.00 0.00 53.44 49.96 3g5u n ALA 503 Cb 0.38 -1.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.07 3g5u n ALA 503 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3g5u n ASN 504 N -0.79 -0.54 -0.01 0.00 6.94 -0.61 -4.74 115.26 115.51 3g5u n ASN 504 Ca 0.60 -0.65 0.02 0.00 -0.02 0.00 0.00 54.58 54.53 3g5u n ASN 504 Cb 0.65 -0.80 -0.06 0.00 -2.36 0.00 0.00 39.78 37.22 3g5u n ASN 504 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3g5u n ALA 505 N -2.91 2.19 -0.05 -2.53 0.00 -0.61 -4.70 120.51 111.91 3g5u n ALA 505 Ca -0.12 -0.23 0.24 0.00 0.00 0.00 0.00 53.44 53.33 3g5u n ALA 505 Cb 0.32 -0.19 0.72 0.00 0.00 0.00 0.00 19.45 20.30 3g5u n ALA 505 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3g5u h TYR 506 N 0.00 0.00 0.24 0.00 3.20 -1.84 -2.72 116.97 115.84 3g5u h TYR 506 Ca -0.04 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 3g5u h TYR 506 Cb 0.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 3g5u h TYR 506 CO 0.00 0.00 -0.12 0.38 -1.64 0.00 0.00 178.16 176.78 3g5u h ASP 507 N 0.00 -0.27 -0.71 -2.11 3.04 -1.95 -2.84 116.42 111.58 3g5u h ASP 507 Ca 0.32 0.01 -0.01 0.00 -3.24 0.00 0.00 57.03 54.11 3g5u h ASP 507 Cb 1.42 0.07 -0.04 0.00 -1.04 0.00 0.00 39.33 39.75 3g5u h ASP 507 CO -0.00 0.06 0.42 2.19 -2.04 0.00 0.00 179.24 179.87 3g5u h PHE 508 N -0.84 0.95 0.00 4.15 -5.15 -1.90 0.28 116.94 114.43 3g5u h PHE 508 Ca -0.03 -0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.72 3g5u h PHE 508 Cb 0.25 -0.31 -0.00 0.00 0.22 0.00 0.00 35.95 36.10 3g5u h PHE 508 CO 0.02 0.64 -0.08 -0.84 -2.00 0.00 0.00 178.31 176.05 3g5u h ILE 509 N 0.99 0.57 0.05 0.88 -0.00 -1.61 0.45 117.51 118.85 3g5u h ILE 509 Ca 0.26 -0.36 -0.09 0.00 -0.00 0.00 0.00 64.86 64.66 3g5u h ILE 509 Cb -0.02 1.23 0.00 0.00 -0.00 0.00 0.00 36.82 38.04 3g5u h ILE 509 CO -0.05 0.08 -0.44 0.24 -0.00 0.00 0.00 178.15 177.99 3g5u h MET 510 N 0.00 0.10 -0.19 0.16 2.86 -0.27 -3.37 114.93 114.22 3g5u h MET 510 Ca -0.00 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 3g5u h MET 510 Cb 0.23 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 3g5u h MET 510 CO 0.01 1.08 -0.19 -0.22 1.06 0.00 0.00 176.91 178.65 3g5u h LYS 511 N -0.79 0.46 -6.31 1.72 1.63 -0.83 -3.44 116.57 109.02 3g5u h LYS 511 Ca -0.09 -0.25 -0.61 0.00 -0.85 0.00 0.00 60.65 58.85 3g5u h LYS 511 Cb 1.25 0.01 0.13 0.00 -0.60 0.00 0.00 32.23 33.03 3g5u h LYS 511 CO 0.02 0.82 -0.32 -0.11 -3.45 0.00 0.00 179.45 176.41 3g5u n LEU 512 N -4.46 0.14 -4.26 5.20 7.94 0.16 -4.86 117.00 116.86 3g5u n LEU 512 Ca -0.05 0.99 -0.30 0.00 -1.11 0.00 0.00 56.01 55.53 3g5u n LEU 512 Cb 0.40 -1.12 0.19 0.00 0.53 0.00 0.00 43.42 43.41 3g5u n LEU 512 CO 0.41 -2.62 -0.34 -0.81 -1.11 0.00 0.00 177.39 172.92 3g5u n PRO 513 N 0.68 -1.98 0.00 1.96 -0.04 -1.26 -3.55 135.00 130.81 3g5u n PRO 513 Ca 0.12 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 3g5u n PRO 513 Cb 0.36 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 3g5u n PRO 513 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3g5u n HIS 514 N -4.58 0.00 -3.73 0.54 8.25 -1.26 -4.58 115.22 109.86 3g5u n HIS 514 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3g5u n HIS 514 Cb 0.58 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3g5u n HIS 514 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3g5u n GLN 515 N -0.85 0.00 0.23 -0.41 1.13 -1.23 -3.60 117.38 112.64 3g5u n GLN 515 Ca 0.00 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.17 3g5u n GLN 515 Cb 0.00 0.00 0.39 0.00 0.11 0.00 0.00 30.24 30.74 3g5u n GLN 515 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 3g5u h PHE 516 N 0.00 0.00 -0.00 1.08 0.04 -1.86 -2.14 116.94 114.05 3g5u h PHE 516 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3g5u h PHE 516 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3g5u h PHE 516 CO 0.00 0.14 -0.00 -0.25 -0.60 0.00 0.00 178.31 177.60 3g5u n ASP 517 N -3.21 0.33 -4.73 2.17 8.00 -1.24 -1.92 116.55 115.95 3g5u n ASP 517 Ca 0.01 -1.09 -0.35 0.00 0.71 0.00 0.00 54.79 54.07 3g5u n ASP 517 Cb 0.46 -0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.64 3g5u n ASP 517 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3g5u s THR 518 N -2.01 2.24 0.00 -3.53 2.01 -0.81 -4.72 115.64 108.81 3g5u s THR 518 Ca 0.45 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.58 3g5u s THR 518 Cb 0.22 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.87 3g5u s THR 518 CO 0.37 -0.05 0.00 0.00 -0.69 0.00 0.00 174.62 174.25 3g5u n LEU 519 N -2.33 0.00 -3.05 4.42 -0.00 -1.26 -1.85 117.00 112.93 3g5u n LEU 519 Ca 0.14 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.97 3g5u n LEU 519 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.88 3g5u n LEU 519 CO 0.47 0.00 -0.13 0.52 -0.00 0.00 0.00 177.39 178.25 3g5u n VAL 520 N 0.00 -0.49 0.00 1.47 0.31 -0.63 -4.64 118.33 114.35 3g5u n VAL 520 Ca 0.00 -3.08 0.00 0.00 -0.01 0.00 0.00 64.34 61.25 3g5u n VAL 520 Cb 0.00 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 3g5u n VAL 520 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3g5u n GLY 521 N 1.63 0.00 2.58 2.92 0.00 -1.26 -3.40 105.19 107.66 3g5u n GLY 521 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 3g5u n GLY 521 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g5u n GLU 522 N 0.00 -3.57 -0.61 1.61 -0.58 -1.26 -4.45 120.64 111.78 3g5u n GLU 522 Ca 0.00 2.70 0.08 0.00 -0.42 0.00 0.00 57.16 59.52 3g5u n GLU 522 Cb 0.00 -3.60 -0.02 0.00 -0.57 0.00 0.00 31.44 27.25 3g5u n GLU 522 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3g5u n ARG 523 N 1.97 -1.27 -0.38 3.49 0.00 -1.22 -3.81 116.66 115.43 3g5u n ARG 523 Ca -0.19 0.88 -0.03 0.00 -0.00 0.00 0.00 57.85 58.51 3g5u n ARG 523 Cb 0.30 -1.54 -0.04 0.00 0.00 0.00 0.00 32.46 31.19 3g5u n ARG 523 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3g5u n GLY 524 N -2.70 1.80 3.09 5.14 0.00 -0.39 -4.59 105.19 107.55 3g5u n GLY 524 Ca -0.00 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3g5u n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5u s ALA 525 N 1.26 3.34 0.00 4.61 0.00 -1.25 -4.67 121.76 125.06 3g5u s ALA 525 Ca 0.14 -2.92 0.00 0.00 0.00 0.00 0.00 51.96 49.18 3g5u s ALA 525 Cb 0.07 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.71 3g5u s ALA 525 CO 0.00 -1.95 0.00 0.94 0.00 0.00 0.00 175.76 174.75 3g5u n GLN 526 N 3.96 0.00 -4.52 0.00 7.27 -1.26 -4.07 117.38 118.76 3g5u n GLN 526 Ca 0.03 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.86 3g5u n GLN 526 Cb 0.39 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.94 3g5u n GLN 526 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 3g5u s LEU 527 N -1.12 2.23 0.21 1.69 2.34 -1.26 -5.05 118.68 117.71 3g5u s LEU 527 Ca 0.00 -1.48 -0.30 0.00 0.06 0.00 0.00 54.13 52.41 3g5u s LEU 527 Cb 0.00 -0.42 -0.09 0.00 -0.56 0.00 0.00 46.19 45.12 3g5u s LEU 527 CO 0.00 -0.69 1.39 -0.94 -1.06 0.00 0.00 176.35 175.05 3g5u s SER 528 N -3.59 6.77 0.51 1.48 1.04 -1.26 -4.79 113.70 113.85 3g5u s SER 528 Ca 0.30 2.52 0.36 0.00 0.48 0.00 0.00 55.95 59.61 3g5u s SER 528 Cb 0.07 -2.61 1.51 0.00 0.10 0.00 0.00 66.02 65.08 3g5u s SER 528 CO 0.14 -0.63 1.71 1.23 0.98 0.00 0.00 173.24 176.67 3g5u h GLY 529 N 5.51 0.42 0.28 7.32 0.00 -1.97 0.60 103.07 115.22 3g5u h GLY 529 Ca -0.45 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 3g5u h GLY 529 CO 0.80 -0.09 -0.38 -1.33 0.00 0.00 0.00 176.54 175.53 3g5u h GLY 530 N 0.07 -1.14 1.02 4.60 0.00 -1.95 0.37 103.07 106.04 3g5u h GLY 530 Ca 0.71 0.55 -0.03 0.00 0.00 0.00 0.00 47.33 48.56 3g5u h GLY 530 CO -0.13 -0.34 0.38 1.46 0.00 0.00 0.00 176.54 177.91 3g5u h GLN 531 N -0.68 1.11 -0.11 4.80 4.20 -0.31 -0.85 115.11 123.27 3g5u h GLN 531 Ca -0.03 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.53 3g5u h GLN 531 Cb 0.62 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3g5u h GLN 531 CO -0.10 0.86 -0.19 0.87 -0.67 0.00 0.00 178.83 179.60 3g5u h LYS 532 N 1.09 -0.15 -0.90 1.46 1.57 -0.37 0.81 116.57 120.08 3g5u h LYS 532 Ca 0.27 0.01 0.22 0.00 -1.87 0.00 0.00 60.65 59.27 3g5u h LYS 532 Cb 0.11 0.03 -0.17 0.00 0.08 0.00 0.00 32.23 32.29 3g5u h LYS 532 CO -0.03 -0.10 -0.05 0.37 -0.57 0.00 0.00 179.45 179.07 3g5u h GLN 533 N -0.15 0.04 0.31 3.15 5.75 0.09 0.26 115.11 124.56 3g5u h GLN 533 Ca 0.02 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3g5u h GLN 533 Cb 0.21 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 3g5u h GLN 533 CO -0.19 0.02 -0.31 -0.09 -2.65 0.00 0.00 178.83 175.62 3g5u h ARG 534 N 0.04 -0.62 -0.75 1.69 2.43 0.11 -1.12 114.38 116.16 3g5u h ARG 534 Ca 0.50 0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.88 3g5u h ARG 534 Cb 0.93 0.14 -0.13 0.00 -0.42 0.00 0.00 29.97 30.49 3g5u h ARG 534 CO -0.85 -0.42 0.04 0.82 -1.51 0.00 0.00 179.97 178.05 3g5u h ILE 535 N -0.65 0.37 -0.14 1.20 2.04 0.38 0.16 117.51 120.88 3g5u h ILE 535 Ca -0.02 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.82 3g5u h ILE 535 Cb 0.59 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3g5u h ILE 535 CO -0.06 0.02 -0.28 0.00 0.00 0.00 0.00 178.15 177.84 3g5u h ALA 536 N 1.69 -0.60 -1.00 1.87 0.00 -0.02 0.12 119.26 121.31 3g5u h ALA 536 Ca 0.41 -0.01 0.41 0.00 0.00 0.00 0.00 54.91 55.72 3g5u h ALA 536 Cb 0.73 0.86 -0.18 0.00 0.00 0.00 0.00 17.79 19.20 3g5u h ALA 536 CO -0.63 -0.72 0.52 0.82 0.00 0.00 0.00 179.25 179.24 3g5u h ILE 537 N -0.25 0.02 0.24 0.00 2.04 0.43 2.86 117.51 122.86 3g5u h ILE 537 Ca 0.03 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3g5u h ILE 537 Cb 0.32 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3g5u h ILE 537 CO -0.26 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 177.78 3g5u h ALA 538 N 1.99 -0.32 -0.09 1.87 0.00 0.22 1.06 119.26 124.00 3g5u h ALA 538 Ca 0.83 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.63 3g5u h ALA 538 Cb 2.18 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 20.07 3g5u h ALA 538 CO -0.77 -0.60 -0.22 -0.09 0.00 0.00 0.00 179.25 177.57 3g5u h ARG 539 N -0.48 -0.20 -0.62 0.00 2.43 0.70 0.53 114.38 116.74 3g5u h ARG 539 Ca -0.03 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.30 3g5u h ARG 539 Cb 0.36 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3g5u h ARG 539 CO 0.05 -0.14 0.43 0.00 -1.51 0.00 0.00 179.97 178.81 3g5u h ALA 540 N -0.93 2.32 -0.85 2.80 0.00 -0.61 -0.63 119.26 121.37 3g5u h ALA 540 Ca 0.02 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3g5u h ALA 540 Cb 0.26 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3g5u h ALA 540 CO -0.19 -0.49 0.56 1.25 0.00 0.00 0.00 179.25 180.38 3g5u h LEU 541 N 0.19 0.93 -0.47 0.00 7.12 0.62 -0.80 115.31 122.91 3g5u h LEU 541 Ca 0.30 -0.02 -0.13 0.00 0.13 0.00 0.00 57.88 58.16 3g5u h LEU 541 Cb 0.92 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.81 3g5u h LEU 541 CO -0.05 0.65 -0.63 0.58 -0.13 0.00 0.00 178.44 178.86 3g5u h VAL 542 N 1.09 1.25 -0.58 1.05 2.07 0.48 -2.48 116.25 119.12 3g5u h VAL 542 Ca 0.33 -2.31 0.05 0.00 0.82 0.00 0.00 66.70 65.59 3g5u h VAL 542 Cb -0.02 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 3g5u h VAL 542 CO -0.09 0.61 0.39 -0.09 0.02 0.00 0.00 177.57 178.41 3g5u h ARG 543 N 0.00 0.59 -6.40 1.57 9.65 -0.76 -3.48 114.38 115.56 3g5u h ARG 543 Ca -0.01 -0.04 -0.41 0.00 -1.10 0.00 0.00 59.98 58.43 3g5u h ARG 543 Cb 1.27 -0.13 0.01 0.00 -1.39 0.00 0.00 29.97 29.72 3g5u h ARG 543 CO 0.08 0.39 -1.07 0.27 2.80 0.00 0.00 179.97 182.45 3g5u n ASN 544 N -4.47 -4.64 -2.94 -3.80 6.94 -0.82 -4.91 115.26 100.61 3g5u n ASN 544 Ca 0.08 -0.54 0.00 0.00 -0.02 0.00 0.00 54.58 54.09 3g5u n ASN 544 Cb 0.19 -1.45 0.00 0.00 -2.36 0.00 0.00 39.78 36.16 3g5u n ASN 544 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 3g5u n PRO 545 N -1.35 0.81 0.00 -0.53 -0.04 -1.26 -4.99 135.00 127.64 3g5u n PRO 545 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 3g5u n PRO 545 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 3g5u n PRO 545 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3g5u n LYS 546 N -0.17 1.04 -4.28 0.54 4.76 -1.12 -4.93 118.16 114.01 3g5u n LYS 546 Ca 0.00 -0.07 -0.17 0.00 -2.87 0.00 0.00 58.31 55.20 3g5u n LYS 546 Cb 0.00 -0.38 -0.14 0.00 -1.84 0.00 0.00 35.03 32.67 3g5u n LYS 546 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3g5u s ILE 547 N -0.17 0.61 -0.06 -0.18 -1.09 -1.18 -2.48 121.20 116.65 3g5u s ILE 547 Ca 0.00 -0.38 -0.01 0.00 -2.23 0.00 0.00 60.65 58.03 3g5u s ILE 547 Cb 0.00 -0.52 0.03 0.00 -1.58 0.00 0.00 42.46 40.39 3g5u s ILE 547 CO 0.00 0.13 0.00 -0.22 -1.23 0.00 0.00 174.94 173.63 3g5u s LEU 548 N -0.28 0.74 -0.15 2.97 0.20 -0.71 -0.01 118.68 121.44 3g5u s LEU 548 Ca 0.02 -0.06 -0.03 0.00 0.69 0.00 0.00 54.13 54.75 3g5u s LEU 548 Cb -0.03 -0.37 -0.02 0.00 -0.43 0.00 0.00 46.19 45.33 3g5u s LEU 548 CO -0.00 -0.16 -0.06 -0.76 -0.29 0.00 0.00 176.35 175.07 3g5u s LEU 549 N 1.69 3.08 -0.31 -0.68 1.02 -0.60 -1.11 118.68 121.76 3g5u s LEU 549 Ca 0.00 -0.20 0.02 0.00 0.02 0.00 0.00 54.13 53.98 3g5u s LEU 549 Cb -0.13 -1.73 0.08 0.00 0.02 0.00 0.00 46.19 44.43 3g5u s LEU 549 CO -0.04 0.16 -0.01 -0.76 0.02 0.00 0.00 176.35 175.72 3g5u s LEU 550 N 0.40 4.15 -1.22 1.79 1.02 -0.84 -1.59 118.68 122.39 3g5u s LEU 550 Ca -0.06 -1.71 -0.15 0.00 0.02 0.00 0.00 54.13 52.23 3g5u s LEU 550 Cb -0.15 -1.63 0.14 0.00 0.02 0.00 0.00 46.19 44.58 3g5u s LEU 550 CO 0.04 -0.30 1.51 -0.62 0.02 0.00 0.00 176.35 177.00 3g5u s ASP 551 N 1.11 6.99 0.00 2.29 3.68 -0.76 -1.82 116.67 128.15 3g5u s ASP 551 Ca 0.00 -2.79 0.00 0.00 2.13 0.00 0.00 52.55 51.89 3g5u s ASP 551 Cb -0.20 -2.45 0.00 0.00 -1.45 0.00 0.00 42.92 38.82 3g5u s ASP 551 CO -0.05 -0.89 0.00 -0.62 0.13 0.00 0.00 175.17 173.74 3g5u n GLU 552 N 6.50 0.00 0.00 4.34 1.02 -0.13 -3.05 120.64 129.32 3g5u n GLU 552 Ca 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 3g5u n GLU 552 Cb 0.44 -4.08 0.00 0.00 -0.02 0.00 0.00 31.44 27.78 3g5u n GLU 552 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g5u n ALA 553 N 0.97 0.00 -0.15 0.62 0.00 -1.26 0.19 120.51 120.88 3g5u n ALA 553 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3g5u n ALA 553 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 3g5u n ALA 553 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3g5u n THR 554 N 0.00 -0.19 -0.67 0.00 5.66 -1.26 -4.55 114.28 113.26 3g5u n THR 554 Ca 0.00 0.98 -0.23 0.00 -3.05 0.00 0.00 64.05 61.75 3g5u n THR 554 Cb 0.00 -1.43 0.02 0.00 -1.55 0.00 0.00 70.33 67.36 3g5u n THR 554 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3g5u n SER 555 N -4.47 -1.99 -4.22 1.09 7.64 0.51 -3.71 113.62 108.47 3g5u n SER 555 Ca 0.11 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.68 3g5u n SER 555 Cb 0.35 -0.35 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 3g5u n SER 555 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g5u n ALA 556 N -2.41 -2.05 -3.07 -0.43 0.00 -1.26 -4.93 120.51 106.37 3g5u n ALA 556 Ca -0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 3g5u n ALA 556 Cb 0.44 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.76 3g5u n ALA 556 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3g5u s LEU 557 N -7.29 0.77 0.60 0.00 2.96 -1.24 -5.02 118.68 109.45 3g5u s LEU 557 Ca 0.03 -0.11 -0.19 0.00 -0.22 0.00 0.00 54.13 53.64 3g5u s LEU 557 Cb -0.02 1.43 -0.04 0.00 0.50 0.00 0.00 46.19 48.06 3g5u s LEU 557 CO 0.97 -0.60 1.07 -0.90 -1.32 0.00 0.00 176.35 175.57 3g5u n ASP 558 N 0.65 1.25 0.01 3.68 5.68 -1.26 -4.73 116.55 121.84 3g5u n ASP 558 Ca -0.19 0.84 -0.03 0.00 -0.50 0.00 0.00 54.79 54.91 3g5u n ASP 558 Cb 0.59 -1.44 -0.02 0.00 -1.14 0.00 0.00 41.12 39.11 3g5u n ASP 558 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3g5u h THR 559 N 0.64 0.00 -0.84 2.12 1.35 -1.99 -0.07 112.91 114.12 3g5u h THR 559 Ca -0.49 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 65.55 3g5u h THR 559 Cb 1.35 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 67.62 3g5u h THR 559 CO 0.52 0.00 -0.13 -0.08 -0.25 0.00 0.00 175.52 175.58 3g5u h GLU 560 N -0.13 0.02 0.55 4.72 4.22 -2.00 0.26 114.58 122.22 3g5u h GLU 560 Ca 0.00 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 3g5u h GLU 560 Cb 0.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3g5u h GLU 560 CO -0.06 0.02 -0.28 0.66 -2.18 0.00 0.00 179.01 177.16 3g5u h SER 561 N 0.02 -0.67 -0.76 1.04 4.64 -1.91 -0.48 113.55 115.44 3g5u h SER 561 Ca 0.43 0.03 0.29 0.00 -0.47 0.00 0.00 61.79 62.07 3g5u h SER 561 Cb 0.72 0.18 -0.11 0.00 -0.31 0.00 0.00 62.40 62.88 3g5u h SER 561 CO -0.83 -0.46 0.45 1.21 -0.87 0.00 0.00 176.83 176.33 3g5u n GLU 562 N -5.42 -0.03 0.00 4.77 2.13 0.84 0.15 120.64 123.07 3g5u n GLU 562 Ca -0.12 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.56 3g5u n GLU 562 Cb 0.32 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.41 3g5u n GLU 562 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3g5u n ALA 563 N -2.53 -0.19 -0.34 4.31 0.00 -0.25 -1.14 120.51 120.37 3g5u n ALA 563 Ca 0.25 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.84 3g5u n ALA 563 Cb 0.92 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.65 3g5u n ALA 563 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g5u h VAL 564 N 0.00 0.03 0.24 0.00 2.07 0.20 0.87 116.25 119.67 3g5u h VAL 564 Ca 0.00 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3g5u h VAL 564 Cb 0.00 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 3g5u h VAL 564 CO 0.00 0.00 -0.12 0.58 0.02 0.00 0.00 177.57 178.06 3g5u h VAL 565 N 0.01 0.77 -0.17 2.57 2.07 0.40 -1.65 116.25 120.25 3g5u h VAL 565 Ca 0.59 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 68.08 3g5u h VAL 565 Cb 1.21 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3g5u h VAL 565 CO -0.92 0.01 0.10 -0.61 0.02 0.00 0.00 177.57 176.18 3g5u h GLN 566 N -0.34 0.22 -0.16 1.57 5.75 0.59 -0.78 115.11 121.96 3g5u h GLN 566 Ca -0.03 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3g5u h GLN 566 Cb 0.26 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 3g5u h GLN 566 CO 0.05 0.16 0.02 0.00 -2.65 0.00 0.00 178.83 176.41 3g5u h ALA 567 N 1.89 0.15 -0.51 3.38 0.00 -0.14 0.33 119.26 124.36 3g5u h ALA 567 Ca 0.06 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3g5u h ALA 567 Cb -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3g5u h ALA 567 CO -0.01 -0.43 -0.13 0.00 0.00 0.00 0.00 179.25 178.68 3g5u h ALA 568 N 1.13 0.79 0.04 0.00 0.00 -0.60 -1.60 119.26 119.01 3g5u h ALA 568 Ca 0.07 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.65 3g5u h ALA 568 Cb 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3g5u h ALA 568 CO -0.11 0.66 -0.17 -0.07 0.00 0.00 0.00 179.25 179.56 3g5u h LEU 569 N 0.87 -0.49 0.07 0.00 3.38 -0.49 -1.68 115.31 116.97 3g5u h LEU 569 Ca 0.13 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3g5u h LEU 569 Cb 0.69 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 3g5u h LEU 569 CO 0.05 -0.24 -0.44 0.44 0.09 0.00 0.00 178.44 178.34 3g5u h ASP 570 N -0.30 -1.34 0.00 -0.43 5.19 -0.03 0.77 116.42 120.28 3g5u h ASP 570 Ca 0.04 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 3g5u h ASP 570 Cb 0.35 0.50 0.00 0.00 0.18 0.00 0.00 39.33 40.36 3g5u h ASP 570 CO -0.14 -0.45 0.19 0.29 -3.12 0.00 0.00 179.24 176.01 3g5u n LYS 571 N -4.94 0.01 -0.09 3.56 5.02 -0.63 -2.32 118.16 118.77 3g5u n LYS 571 Ca -0.07 0.36 -0.14 0.00 -2.02 0.00 0.00 58.31 56.44 3g5u n LYS 571 Cb 0.34 -1.73 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 3g5u n LYS 571 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g5u n ALA 572 N -1.36 0.68 -0.00 7.82 0.00 0.25 -4.81 120.51 123.09 3g5u n ALA 572 Ca -0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 53.44 52.82 3g5u n ALA 572 Cb 0.19 -0.21 0.08 0.00 0.00 0.00 0.00 19.45 19.51 3g5u n ALA 572 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g5u h ARG 573 N -1.00 0.56 -0.77 0.00 3.08 -0.72 -3.37 114.38 112.17 3g5u h ARG 573 Ca -0.20 -0.32 0.02 0.00 0.07 0.00 0.00 59.98 59.55 3g5u h ARG 573 Cb 0.97 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.00 3g5u h ARG 573 CO -0.12 0.92 0.50 1.49 -1.07 0.00 0.00 179.97 181.69 3g5u h GLU 574 N 0.44 0.96 -1.19 0.04 4.57 -1.87 2.06 114.58 119.60 3g5u h GLU 574 Ca 0.02 -0.06 0.38 0.00 -1.18 0.00 0.00 59.36 58.53 3g5u h GLU 574 Cb 1.01 -0.22 -0.13 0.00 -0.16 0.00 0.00 28.75 29.26 3g5u h GLU 574 CO 0.09 0.64 0.75 0.78 -1.18 0.00 0.00 179.01 180.09 3g5u h GLY 575 N 0.99 1.48 -4.72 1.92 0.00 -1.86 -3.40 103.07 97.48 3g5u h GLY 575 Ca 0.30 -0.15 -0.66 0.00 0.00 0.00 0.00 47.33 46.82 3g5u h GLY 575 CO -0.09 -0.39 -0.65 0.50 0.00 0.00 0.00 176.54 175.91 3g5u s ARG 576 N -5.41 2.71 -0.05 4.80 0.52 0.70 -4.80 118.95 117.41 3g5u s ARG 576 Ca -0.08 -0.70 -0.30 0.00 -0.52 0.00 0.00 55.73 54.13 3g5u s ARG 576 Cb 0.29 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 3g5u s ARG 576 CO 0.81 0.59 1.32 -0.08 0.02 0.00 0.00 175.30 177.95 3g5u s THR 577 N -1.19 4.01 -0.03 0.02 -1.32 -1.04 -4.56 115.64 111.53 3g5u s THR 577 Ca 0.23 1.34 0.01 0.00 -1.21 0.00 0.00 61.69 62.05 3g5u s THR 577 Cb -0.12 -3.86 0.02 0.00 -1.51 0.00 0.00 72.50 67.03 3g5u s THR 577 CO 0.14 -0.03 -0.04 0.28 -2.21 0.00 0.00 174.62 172.76 3g5u s THR 578 N 2.62 0.45 -0.33 5.08 -1.32 -0.62 -1.74 115.64 119.78 3g5u s THR 578 Ca 0.60 -0.11 -0.15 0.00 -1.21 0.00 0.00 61.69 60.82 3g5u s THR 578 Cb -0.27 -0.47 -0.02 0.00 -1.51 0.00 0.00 72.50 70.23 3g5u s THR 578 CO 0.23 0.19 0.35 -0.51 -2.21 0.00 0.00 174.62 172.66 3g5u s ILE 579 N 0.70 5.18 -0.07 5.08 -1.16 -0.27 -0.26 121.20 130.41 3g5u s ILE 579 Ca -0.09 0.07 0.05 0.00 -0.51 0.00 0.00 60.65 60.17 3g5u s ILE 579 Cb -0.12 -3.79 -0.01 0.00 0.61 0.00 0.00 42.46 39.15 3g5u s ILE 579 CO -0.00 -0.05 -0.23 0.54 -2.81 0.00 0.00 174.94 172.38 3g5u s VAL 580 N 1.99 1.92 -0.10 4.00 0.11 0.12 -1.98 120.40 126.46 3g5u s VAL 580 Ca 0.11 -0.98 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 3g5u s VAL 580 Cb -0.17 -1.64 -0.02 0.00 -1.53 0.00 0.00 36.38 33.02 3g5u s VAL 580 CO 0.11 0.53 -0.15 -0.51 -3.33 0.00 0.00 175.10 171.75 3g5u s ILE 581 N 0.06 2.87 0.09 7.04 -1.16 -0.76 0.13 121.20 129.48 3g5u s ILE 581 Ca -0.09 -0.74 -0.26 0.00 -0.51 0.00 0.00 60.65 59.04 3g5u s ILE 581 Cb -0.15 -2.17 0.09 0.00 0.61 0.00 0.00 42.46 40.84 3g5u s ILE 581 CO 0.05 0.55 1.11 0.00 -2.81 0.00 0.00 174.94 173.84 3g5u s ALA 582 N 0.08 -1.90 -0.06 1.50 0.00 -1.02 -0.95 121.76 119.41 3g5u s ALA 582 Ca -0.07 0.22 0.22 0.00 0.00 0.00 0.00 51.96 52.33 3g5u s ALA 582 Cb -0.15 0.59 -0.32 0.00 0.00 0.00 0.00 23.12 23.24 3g5u s ALA 582 CO 0.05 -1.06 0.45 0.72 0.00 0.00 0.00 175.76 175.92 3g5u n HIS 583 N -0.56 0.04 -1.84 0.00 8.25 -1.26 -4.67 115.22 115.19 3g5u n HIS 583 Ca -0.06 0.01 -0.39 0.00 -0.26 0.00 0.00 57.72 57.03 3g5u n HIS 583 Cb 0.61 -0.58 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 3g5u n HIS 583 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3g5u n ARG 584 N -2.33 2.17 -0.06 -0.41 5.12 -1.26 -4.74 116.66 115.15 3g5u n ARG 584 Ca -0.07 -2.49 0.23 0.00 -1.93 0.00 0.00 57.85 53.59 3g5u n ARG 584 Cb 0.64 -3.35 0.50 0.00 -1.16 0.00 0.00 32.46 29.09 3g5u n ARG 584 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3g5u h LEU 585 N 13.90 0.00 -0.97 0.55 -0.00 -1.99 1.86 115.31 128.66 3g5u h LEU 585 Ca 0.40 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 58.22 3g5u h LEU 585 Cb 0.78 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.42 3g5u h LEU 585 CO 1.63 0.00 0.11 0.77 -0.00 0.00 0.00 178.44 180.95 3g5u h SER 586 N 0.00 0.80 -0.67 -0.43 4.64 -2.01 -1.41 113.55 114.48 3g5u h SER 586 Ca 0.35 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3g5u h SER 586 Cb 2.26 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 3g5u h SER 586 CO -0.00 0.80 0.00 0.35 -0.87 0.00 0.00 176.83 177.11 3g5u n THR 587 N -4.26 0.93 -0.08 2.95 -2.24 0.62 -4.15 114.28 108.06 3g5u n THR 587 Ca 0.04 -0.90 -0.10 0.00 -2.27 0.00 0.00 64.05 60.82 3g5u n THR 587 Cb 0.25 0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 3g5u n THR 587 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3g5u h VAL 588 N 3.89 0.36 0.00 2.28 2.07 -0.38 -3.42 116.25 121.05 3g5u h VAL 588 Ca 0.00 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3g5u h VAL 588 Cb 0.91 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3g5u h VAL 588 CO 0.01 0.12 0.00 -1.14 0.02 0.00 0.00 177.57 176.58 3g5u n ARG 589 N -4.58 0.00 0.00 1.57 3.00 -0.84 -0.06 116.66 115.75 3g5u n ARG 589 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 3g5u n ARG 589 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.83 3g5u n ARG 589 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3g5u n ASN 590 N -1.44 0.00 -4.73 6.15 6.94 -1.26 -4.73 115.26 116.19 3g5u n ASN 590 Ca 0.00 -0.21 -0.38 0.00 -0.02 0.00 0.00 54.58 53.96 3g5u n ASN 590 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 3g5u n ASN 590 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3g5u s ALA 591 N 1.19 3.45 0.55 -2.53 0.00 0.92 -4.92 121.76 120.42 3g5u s ALA 591 Ca 0.00 -0.07 0.28 0.00 0.00 0.00 0.00 51.96 52.17 3g5u s ALA 591 Cb 0.00 -2.72 1.69 0.00 0.00 0.00 0.00 23.12 22.09 3g5u s ALA 591 CO 0.00 0.03 2.20 -0.44 0.00 0.00 0.00 175.76 177.55 3g5u h ASP 592 N 6.44 0.00 -4.60 0.00 3.45 -1.62 -3.44 116.42 116.64 3g5u h ASP 592 Ca -0.42 0.00 0.06 0.00 0.43 0.00 0.00 57.03 57.10 3g5u h ASP 592 Cb 1.19 0.00 -0.17 0.00 -0.56 0.00 0.00 39.33 39.78 3g5u h ASP 592 CO 0.74 0.03 0.43 0.54 -1.57 0.00 0.00 179.24 179.41 3g5u s VAL 593 N -4.56 0.00 0.16 -1.35 0.11 -1.25 -4.65 120.40 108.86 3g5u s VAL 593 Ca -0.04 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.06 3g5u s VAL 593 Cb 0.15 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 3g5u s VAL 593 CO 0.57 0.00 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.59 3g5u s ILE 594 N -2.38 1.31 -0.01 7.04 1.09 -0.63 0.13 121.20 127.75 3g5u s ILE 594 Ca 0.00 -2.06 -0.01 0.00 -1.10 0.00 0.00 60.65 57.48 3g5u s ILE 594 Cb -0.01 -1.86 0.00 0.00 -1.06 0.00 0.00 42.46 39.54 3g5u s ILE 594 CO -0.04 -0.68 0.03 0.00 -0.10 0.00 0.00 174.94 174.15 3g5u s ALA 595 N -3.13 -0.08 -0.45 9.38 0.00 -0.66 -1.65 121.76 125.17 3g5u s ALA 595 Ca 0.17 0.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.93 3g5u s ALA 595 Cb 0.01 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.12 3g5u s ALA 595 CO 0.02 -0.04 0.73 0.20 0.00 0.00 0.00 175.76 176.67 3g5u s GLY 596 N -0.19 1.64 0.36 0.00 0.00 -0.80 -1.46 107.32 106.86 3g5u s GLY 596 Ca -0.02 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.58 3g5u s GLY 596 CO -0.00 1.69 0.03 0.69 0.00 0.00 0.00 173.10 175.51 3g5u n PHE 597 N 6.56 0.64 0.00 1.90 3.72 0.35 -1.89 117.46 128.74 3g5u n PHE 597 Ca 0.00 -1.91 0.00 0.00 -0.05 0.00 0.00 57.45 55.50 3g5u n PHE 597 Cb 0.48 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 3g5u n PHE 597 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3g5u n ASP 598 N -1.36 0.00 -1.36 4.37 2.03 -1.26 -3.71 116.55 115.26 3g5u n ASP 598 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 3g5u n ASP 598 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 3g5u n ASP 598 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3g5u n GLY 599 N 0.00 -0.30 3.62 0.27 0.00 -1.04 -4.21 105.19 103.53 3g5u n GLY 599 Ca 0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 3g5u n GLY 599 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g5u n GLY 600 N -0.77 -1.26 3.12 -0.02 0.00 -0.94 -4.88 105.19 100.44 3g5u n GLY 600 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 46.02 46.60 3g5u n GLY 600 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5u s VAL 601 N -3.04 -0.82 0.15 1.61 0.11 -1.26 -4.84 120.40 112.31 3g5u s VAL 601 Ca 0.04 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.79 3g5u s VAL 601 Cb -0.02 -0.25 -0.07 0.00 -1.53 0.00 0.00 36.38 34.51 3g5u s VAL 601 CO 0.86 0.00 1.09 -0.51 -3.33 0.00 0.00 175.10 173.21 3g5u s ILE 602 N 2.18 4.02 0.00 7.04 1.10 -1.20 -3.59 121.20 130.75 3g5u s ILE 602 Ca 0.15 1.68 0.00 0.00 -0.51 0.00 0.00 60.65 61.97 3g5u s ILE 602 Cb -0.04 -4.07 0.00 0.00 0.15 0.00 0.00 42.46 38.50 3g5u s ILE 602 CO -0.14 0.26 0.00 1.33 -2.11 0.00 0.00 174.94 174.28 3g5u n VAL 603 N 2.69 0.00 -2.71 4.00 0.24 -0.79 -4.98 118.33 116.77 3g5u n VAL 603 Ca 0.04 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.91 3g5u n VAL 603 Cb 0.47 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.81 3g5u n VAL 603 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3g5u s GLU 604 N 0.00 3.70 -0.04 7.34 2.02 -1.26 -4.82 118.70 125.64 3g5u s GLU 604 Ca 0.00 0.47 0.03 0.00 0.02 0.00 0.00 54.97 55.48 3g5u s GLU 604 Cb 0.00 -3.89 -0.03 0.00 0.10 0.00 0.00 34.13 30.31 3g5u s GLU 604 CO 0.00 -1.23 -0.10 -1.14 0.02 0.00 0.00 175.26 172.81 3g5u s GLN 605 N 4.01 2.57 0.00 1.61 0.74 -1.26 -1.91 119.66 125.42 3g5u s GLN 605 Ca 0.43 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 55.17 3g5u s GLN 605 Cb -0.09 -2.47 0.00 0.00 1.10 0.00 0.00 33.01 31.55 3g5u s GLN 605 CO 0.27 0.63 0.00 0.41 -0.55 0.00 0.00 175.29 176.05 3g5u n GLY 606 N 2.05 0.94 3.77 2.59 0.00 -0.66 -4.95 105.19 108.94 3g5u n GLY 606 Ca -0.17 -1.92 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 3g5u n GLY 606 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g5u s ASN 607 N -1.51 4.61 0.00 1.61 2.47 -1.26 -1.60 114.94 119.26 3g5u s ASN 607 Ca 0.00 1.79 0.00 0.00 0.42 0.00 0.00 52.86 55.07 3g5u s ASN 607 Cb 0.00 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.29 3g5u s ASN 607 CO 0.00 -1.96 0.52 1.57 -3.72 0.00 0.00 177.10 173.51 3g5u n HIS 608 N -3.47 0.00 0.30 0.43 -0.00 -1.26 -0.73 115.22 110.49 3g5u n HIS 608 Ca 0.09 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.90 3g5u n HIS 608 Cb 0.53 -0.02 0.45 0.00 -0.00 0.00 0.00 29.99 30.95 3g5u n HIS 608 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 3g5u h ASP 609 N 0.00 0.00 0.02 0.26 5.19 -1.96 0.27 116.42 120.19 3g5u h ASP 609 Ca 0.00 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 3g5u h ASP 609 Cb 0.00 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.52 3g5u h ASP 609 CO 0.00 0.00 -0.53 -0.33 -3.12 0.00 0.00 179.24 175.26 3g5u h GLU 610 N 0.00 0.33 0.00 3.56 5.08 -1.29 0.28 114.58 122.55 3g5u h GLU 610 Ca 0.03 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3g5u h GLU 610 Cb 1.33 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.70 3g5u h GLU 610 CO -0.00 1.07 0.00 -0.07 -1.00 0.00 0.00 179.01 179.01 3g5u h LEU 611 N -0.25 0.00 0.06 1.33 4.07 0.62 0.44 115.31 121.58 3g5u h LEU 611 Ca -0.07 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.72 3g5u h LEU 611 Cb 1.27 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 3g5u h LEU 611 CO 0.10 0.00 -0.86 0.24 -1.08 0.00 0.00 178.44 176.84 3g5u h MET 612 N 0.00 0.13 -0.10 1.13 2.86 -1.30 -2.99 114.93 114.67 3g5u h MET 612 Ca 0.00 -0.22 0.03 0.00 -2.06 0.00 0.00 59.70 57.45 3g5u h MET 612 Cb 0.74 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.47 3g5u h MET 612 CO 0.00 1.10 0.16 0.00 1.06 0.00 0.00 176.91 179.23 3g5u h ARG 613 N -0.67 0.00 0.04 1.72 2.47 -0.24 0.66 114.38 118.35 3g5u h ARG 613 Ca -0.20 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.29 3g5u h ARG 613 Cb 1.42 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.72 3g5u h ARG 613 CO -0.00 0.00 -1.11 1.49 0.56 0.00 0.00 179.97 180.91 3g5u h GLU 614 N 0.00 0.08 -1.54 0.04 4.57 -0.93 -3.47 114.58 113.33 3g5u h GLU 614 Ca 0.05 -0.14 -0.30 0.00 -1.18 0.00 0.00 59.36 57.79 3g5u h GLU 614 Cb 0.37 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.95 3g5u h GLU 614 CO -0.00 1.05 -0.34 1.63 -1.18 0.00 0.00 179.01 180.17 3g5u n LYS 615 N -3.39 -1.12 0.00 1.92 5.02 0.23 -4.97 118.16 115.85 3g5u n LYS 615 Ca -0.03 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 3g5u n LYS 615 Cb 0.97 -5.08 0.00 0.00 -0.02 0.00 0.00 35.03 30.90 3g5u n LYS 615 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g5u n GLY 616 N -1.08 0.82 0.33 0.72 0.00 -1.22 -4.58 105.19 100.18 3g5u n GLY 616 Ca -0.16 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 3g5u n GLY 616 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g5u h ILE 617 N 0.00 0.24 -0.04 -0.61 1.08 -1.93 0.41 117.51 116.65 3g5u h ILE 617 Ca 0.00 -0.37 0.01 0.00 -0.39 0.00 0.00 64.86 64.11 3g5u h ILE 617 Cb 0.00 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 34.07 3g5u h ILE 617 CO 0.00 0.03 -0.07 0.22 -0.69 0.00 0.00 178.15 177.64 3g5u h TYR 618 N -1.07 -0.21 -0.73 1.37 3.20 -1.94 0.57 116.97 118.15 3g5u h TYR 618 Ca -0.08 0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.93 3g5u h TYR 618 Cb 0.66 0.10 -0.13 0.00 1.54 0.00 0.00 36.73 38.89 3g5u h TYR 618 CO 0.00 -0.06 -0.32 0.35 -1.64 0.00 0.00 178.16 176.49 3g5u h PHE 619 N -0.06 -0.85 0.00 -3.82 3.57 -1.62 0.76 116.94 114.92 3g5u h PHE 619 Ca 0.01 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3g5u h PHE 619 Cb 0.08 0.48 0.00 0.00 2.79 0.00 0.00 35.95 39.30 3g5u h PHE 619 CO -0.56 -0.38 0.00 1.17 -2.23 0.00 0.00 178.31 176.31 3g5u n LYS 620 N -5.46 0.00 -0.14 1.11 0.00 0.14 -0.31 118.16 113.51 3g5u n LYS 620 Ca 0.07 0.62 0.22 0.00 0.00 0.00 0.00 58.31 59.23 3g5u n LYS 620 Cb 0.38 -1.34 0.63 0.00 0.00 0.00 0.00 35.03 34.70 3g5u n LYS 620 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3g5u h LEU 621 N 0.00 0.15 -0.28 3.14 -0.00 0.49 0.20 115.31 119.01 3g5u h LEU 621 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 3g5u h LEU 621 Cb 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 3g5u h LEU 621 CO 0.00 0.07 0.15 0.58 -0.00 0.00 0.00 178.44 179.24 3g5u h VAL 622 N 0.15 1.13 0.02 1.22 2.07 0.16 -1.74 116.25 119.27 3g5u h VAL 622 Ca 0.38 -0.35 -0.21 0.00 0.82 0.00 0.00 66.70 67.34 3g5u h VAL 622 Cb 1.25 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3g5u h VAL 622 CO -0.06 0.13 -0.96 0.24 0.02 0.00 0.00 177.57 176.94 3g5u h MET 623 N 0.33 0.08 -0.59 1.57 2.86 0.86 -2.13 114.93 117.91 3g5u h MET 623 Ca 0.10 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 3g5u h MET 623 Cb 0.07 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 3g5u h MET 623 CO -0.02 0.97 0.39 1.15 1.06 0.00 0.00 176.91 180.46 3g5u h THR 624 N 0.03 1.09 0.00 2.22 2.02 -0.51 0.25 112.91 118.00 3g5u h THR 624 Ca -0.03 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3g5u h THR 624 Cb 1.66 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3g5u h THR 624 CO 0.13 0.13 -0.25 0.00 0.37 0.00 0.00 175.52 175.90 3g5u n GLN 625 N -4.46 0.06 0.00 6.66 6.02 -0.67 -5.08 117.38 119.91 3g5u n GLN 625 Ca 0.07 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3g5u n GLN 625 Cb 0.12 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 29.83 3g5u n GLN 625 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3g5u n THR 626 N -1.64 0.00 -2.97 5.09 -1.04 0.86 -5.09 114.28 109.49 3g5u n THR 626 Ca 0.06 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.92 3g5u n THR 626 Cb 0.36 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.85 3g5u n THR 626 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3g5u n LEU 684 N 0.00 -1.70 -4.89 -4.42 4.77 -1.26 -4.30 117.00 105.20 3g5u n LEU 684 Ca 0.00 -3.83 -0.29 0.00 -0.03 0.00 0.00 56.01 51.86 3g5u n LEU 684 Cb 0.00 0.73 0.04 0.00 -2.33 0.00 0.00 43.42 41.85 3g5u n LEU 684 CO 0.00 2.00 0.67 -1.81 -1.33 0.00 0.00 177.39 176.92 3g5u s ASP 685 N -0.94 5.62 0.00 -1.43 1.01 -1.26 -5.02 116.67 114.64 3g5u s ASP 685 Ca 0.33 1.04 0.00 0.00 0.71 0.00 0.00 52.55 54.63 3g5u s ASP 685 Cb 0.15 -1.95 0.00 0.00 1.01 0.00 0.00 42.92 42.14 3g5u s ASP 685 CO -0.17 -1.17 0.00 -1.84 0.21 0.00 0.00 175.17 172.20 3g5u n GLU 686 N -2.82 0.00 0.00 8.23 -0.00 -1.26 -5.07 120.64 119.71 3g5u n GLU 686 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.22 3g5u n GLU 686 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.01 3g5u n GLU 686 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3g5u n ASP 687 N 0.00 0.00 -4.61 -1.84 8.00 -1.26 -4.96 116.55 111.88 3g5u n ASP 687 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 3g5u n ASP 687 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 3g5u n ASP 687 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3g5u s VAL 688 N 0.00 3.74 0.15 2.53 -7.23 -1.26 -5.07 120.40 113.25 3g5u s VAL 688 Ca 0.00 -0.70 -0.17 0.00 -1.81 0.00 0.00 61.98 59.30 3g5u s VAL 688 Cb 0.00 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.32 3g5u s VAL 688 CO 0.00 0.42 1.77 -0.65 -0.31 0.00 0.00 175.10 176.33 3g5u h PRO 689 N 4.60 0.32 -6.31 4.82 0.11 -2.04 -3.43 132.00 130.07 3g5u h PRO 689 Ca -0.49 -0.02 -0.64 0.00 0.11 0.00 0.00 66.00 64.96 3g5u h PRO 689 Cb 1.17 -0.07 0.03 0.00 0.11 0.00 0.00 31.00 32.24 3g5u h PRO 689 CO 0.54 0.21 0.86 -2.30 -0.21 0.00 0.00 178.00 177.10 3g5u n PRO 690 N -4.96 1.79 0.00 1.05 -0.02 -1.26 -4.92 135.00 126.68 3g5u n PRO 690 Ca 0.00 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3g5u n PRO 690 Cb 0.09 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 3g5u n PRO 690 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g5u n ALA 691 N 4.78 0.00 0.00 3.55 0.00 -1.26 -4.87 120.51 122.71 3g5u n ALA 691 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3g5u n ALA 691 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 3g5u n ALA 691 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3g5u n SER 692 N 0.00 0.00 -4.29 0.00 2.88 -1.26 -4.77 113.62 106.19 3g5u n SER 692 Ca 0.00 0.00 -0.58 0.00 -1.33 0.00 0.00 58.87 56.96 3g5u n SER 692 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 3g5u n SER 692 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 3g5u n PHE 693 N 0.00 1.17 -0.30 0.66 1.16 -1.26 -0.77 117.46 118.12 3g5u n PHE 693 Ca 0.00 0.69 0.00 0.00 -1.87 0.00 0.00 57.45 56.27 3g5u n PHE 693 Cb 0.00 -2.32 0.00 0.00 -1.61 0.00 0.00 39.48 35.55 3g5u n PHE 693 CO 0.00 0.00 0.00 0.91 -1.87 0.00 0.00 176.76 175.80 3g5u n TRP 694 N 7.98 0.00 -0.03 2.97 5.03 -1.26 -4.71 117.44 127.43 3g5u n TRP 694 Ca 0.54 0.00 -0.13 0.00 3.03 0.00 0.00 57.50 60.94 3g5u n TRP 694 Cb -0.01 -1.24 -0.10 0.00 -1.03 0.00 0.00 31.31 28.93 3g5u n TRP 694 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 3g5u h ARG 695 N 0.00 0.08 0.00 -0.99 2.43 -1.36 -0.63 114.38 113.90 3g5u h ARG 695 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3g5u h ARG 695 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3g5u h ARG 695 CO 0.00 0.63 0.00 0.44 -1.51 0.00 0.00 179.97 179.53 3g5u n ILE 696 N -4.74 0.21 -0.08 1.20 -5.35 -1.25 0.18 119.36 109.53 3g5u n ILE 696 Ca -0.08 0.05 -0.14 0.00 -0.27 0.00 0.00 62.75 62.31 3g5u n ILE 696 Cb 0.32 -0.84 -0.09 0.00 -1.74 0.00 0.00 39.64 37.29 3g5u n ILE 696 CO 0.00 0.00 0.00 0.17 -1.76 0.00 0.00 176.55 174.96 3g5u h LEU 697 N 0.00 0.00 0.25 7.28 8.10 -1.62 0.93 115.31 130.25 3g5u h LEU 697 Ca 0.00 -0.59 -0.01 0.00 0.11 0.00 0.00 57.88 57.39 3g5u h LEU 697 Cb 0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.25 3g5u h LEU 697 CO 0.00 1.07 -0.26 0.11 -4.11 0.00 0.00 178.44 175.26 3g5u h LYS 698 N -1.00 -0.49 -0.31 0.17 1.57 0.12 0.37 116.57 117.00 3g5u h LYS 698 Ca -0.12 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.78 3g5u h LYS 698 Cb 0.91 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 3g5u h LYS 698 CO -0.07 -0.33 0.23 -0.07 -0.57 0.00 0.00 179.45 178.64 3g5u h LEU 699 N -0.51 0.00 0.00 2.94 3.38 0.18 -2.13 115.31 119.17 3g5u h LEU 699 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3g5u h LEU 699 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3g5u h LEU 699 CO -0.04 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.08 3g5u n ASN 700 N -4.37 0.00 -0.49 -0.43 4.13 0.32 0.53 115.26 114.95 3g5u n ASN 700 Ca 0.04 0.51 0.40 0.00 1.68 0.00 0.00 54.58 57.22 3g5u n ASN 700 Cb 0.39 -0.01 0.69 0.00 -1.54 0.00 0.00 39.78 39.32 3g5u n ASN 700 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3g5u h SER 701 N 0.00 0.18 0.20 6.41 0.02 -0.74 3.27 113.55 122.89 3g5u h SER 701 Ca 0.00 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3g5u h SER 701 Cb 0.00 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3g5u h SER 701 CO 0.00 -0.13 -0.31 0.74 -1.14 0.00 0.00 176.83 175.99 3g5u h THR 702 N 0.06 0.34 0.00 -2.27 2.02 0.59 0.91 112.91 114.58 3g5u h THR 702 Ca 0.83 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.97 3g5u h THR 702 Cb 2.79 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.54 3g5u h THR 702 CO -0.30 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 174.97 3g5u n GLU 703 N -5.42 0.74 -3.65 6.66 4.71 1.09 -4.64 120.64 120.14 3g5u n GLU 703 Ca -0.08 -0.20 -0.15 0.00 -0.01 0.00 0.00 57.16 56.73 3g5u n GLU 703 Cb 0.32 -1.42 -0.08 0.00 -1.01 0.00 0.00 31.44 29.25 3g5u n GLU 703 CO 0.00 0.00 0.00 -0.46 0.09 0.00 0.00 177.13 176.76 3g5u s TRP 704 N 1.27 -0.57 -0.16 -0.32 -0.00 0.32 -4.77 118.94 114.71 3g5u s TRP 704 Ca 0.13 1.22 -0.14 0.00 -0.00 0.00 0.00 56.10 57.31 3g5u s TRP 704 Cb 0.06 0.25 -0.05 0.00 -0.00 0.00 0.00 33.47 33.73 3g5u s TRP 704 CO 0.00 -0.40 -0.28 -0.35 -0.00 0.00 0.00 176.95 175.92 3g5u n PRO 705 N 2.02 0.49 0.00 5.86 -0.04 -1.26 -4.90 135.00 137.16 3g5u n PRO 705 Ca -0.16 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 3g5u n PRO 705 Cb 0.56 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3g5u n PRO 705 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3g5u n TYR 706 N -4.47 0.00 -2.68 0.54 0.18 -1.26 -5.09 117.16 104.38 3g5u n TYR 706 Ca -0.11 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.62 3g5u n TYR 706 Cb 0.42 0.00 0.08 0.00 -0.38 0.00 0.00 39.34 39.45 3g5u n TYR 706 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 3g5u n PHE 707 N -0.89 -1.00 0.16 -3.48 0.99 -1.26 -4.97 117.46 107.00 3g5u n PHE 707 Ca 0.00 -1.07 0.04 0.00 -0.00 0.00 0.00 57.45 56.42 3g5u n PHE 707 Cb 0.00 1.29 0.44 0.00 -1.00 0.00 0.00 39.48 40.21 3g5u n PHE 707 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.76 176.52 3g5u h VAL 708 N 0.97 1.16 -0.26 -4.37 3.04 -1.99 -1.89 116.25 112.91 3g5u h VAL 708 Ca -0.35 -0.71 0.05 0.00 -1.01 0.00 0.00 66.70 64.68 3g5u h VAL 708 Cb 1.21 1.25 -0.08 0.00 -2.01 0.00 0.00 31.29 31.66 3g5u h VAL 708 CO -0.05 0.21 -0.48 1.62 -1.01 0.00 0.00 177.57 177.87 3g5u h VAL 709 N 0.14 0.07 0.00 1.51 3.04 -1.98 0.95 116.25 119.99 3g5u h VAL 709 Ca 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 3g5u h VAL 709 Cb 0.34 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.70 3g5u h VAL 709 CO 0.02 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.19 3g5u n GLY 710 N -1.42 -2.80 0.52 3.17 0.00 -0.73 0.13 105.19 104.06 3g5u n GLY 710 Ca -0.03 0.30 0.32 0.00 0.00 0.00 0.00 46.02 46.60 3g5u n GLY 710 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3g5u h ILE 711 N 0.00 0.18 0.35 -0.61 2.10 -1.22 0.15 117.51 118.46 3g5u h ILE 711 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.92 3g5u h ILE 711 Cb 0.00 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 35.99 3g5u h ILE 711 CO 0.00 0.00 -0.19 0.15 -1.08 0.00 0.00 178.15 177.03 3g5u h PHE 712 N 0.00 -0.51 0.00 2.19 3.04 0.51 -1.67 116.94 120.49 3g5u h PHE 712 Ca 0.50 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.44 3g5u h PHE 712 Cb 2.44 0.18 -0.00 0.00 2.56 0.00 0.00 35.95 41.13 3g5u h PHE 712 CO 0.00 -0.30 -0.00 0.00 -2.02 0.00 0.00 178.31 175.99 3g5u h ALA 714 N 2.00 -0.61 -0.56 0.00 0.00 -0.43 0.66 119.26 120.32 3g5u h ALA 714 Ca -0.00 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.96 3g5u h ALA 714 Cb 0.01 0.59 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 3g5u h ALA 714 CO 0.00 -0.91 0.04 0.82 0.00 0.00 0.00 179.25 179.20 3g5u h ILE 715 N -0.58 0.59 -0.10 0.00 1.08 -0.05 -1.71 117.51 116.74 3g5u h ILE 715 Ca 0.03 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 3g5u h ILE 715 Cb 0.62 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 3g5u h ILE 715 CO -0.21 0.03 0.07 0.16 -0.69 0.00 0.00 178.15 177.50 3g5u h ILE 716 N 0.16 1.03 -0.72 -0.67 -0.00 -0.41 -1.78 117.51 115.12 3g5u h ILE 716 Ca 0.29 -0.05 0.15 0.00 -0.00 0.00 0.00 64.86 65.24 3g5u h ILE 716 Cb 0.44 0.88 -0.14 0.00 -0.00 0.00 0.00 36.82 38.00 3g5u h ILE 716 CO -0.44 0.03 -0.17 -1.13 -0.00 0.00 0.00 178.15 176.44 3g5u h ASN 717 N 0.14 -0.65 0.22 2.16 -0.73 0.91 0.57 115.58 118.20 3g5u h ASN 717 Ca 0.04 0.22 0.01 0.00 1.87 0.00 0.00 56.30 58.43 3g5u h ASN 717 Cb -0.01 0.44 -0.04 0.00 0.27 0.00 0.00 38.32 38.98 3g5u h ASN 717 CO -0.01 -0.24 -0.48 1.23 -0.37 0.00 0.00 177.43 177.57 3g5u h GLY 718 N 0.01 -1.06 0.21 1.57 0.00 -0.70 -0.23 103.07 102.86 3g5u h GLY 718 Ca 0.35 0.57 0.13 0.00 0.00 0.00 0.00 47.33 48.38 3g5u h GLY 718 CO -0.74 -0.30 0.26 -1.33 0.00 0.00 0.00 176.54 174.43 3g5u h GLY 719 N -0.78 1.02 -0.97 4.60 0.00 -0.28 -0.36 103.07 106.29 3g5u h GLY 719 Ca -0.01 -0.12 0.19 0.00 0.00 0.00 0.00 47.33 47.39 3g5u h GLY 719 CO -0.21 -0.08 -0.24 -0.10 0.00 0.00 0.00 176.54 175.91 3g5u n LEU 720 N -5.02 -0.35 0.25 3.11 7.94 0.18 -0.40 117.00 122.72 3g5u n LEU 720 Ca 0.12 1.67 -0.10 0.00 -1.11 0.00 0.00 56.01 56.59 3g5u n LEU 720 Cb 0.37 -0.51 -0.05 0.00 0.53 0.00 0.00 43.42 43.76 3g5u n LEU 720 CO 0.19 -1.60 0.47 -0.61 -1.11 0.00 0.00 177.39 174.73 3g5u h GLN 721 N 0.00 -0.63 -0.63 1.96 5.75 -0.37 -2.11 115.11 119.08 3g5u h GLN 721 Ca 0.47 0.04 0.18 0.00 -0.15 0.00 0.00 58.65 59.19 3g5u h GLN 721 Cb 0.71 0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.38 3g5u h GLN 721 CO -1.00 -0.42 0.48 -1.35 -2.65 0.00 0.00 178.83 173.89 3g5u h PRO 722 N -0.70 0.00 -0.43 -2.39 0.11 -1.15 0.30 132.00 127.75 3g5u h PRO 722 Ca -0.07 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.13 3g5u h PRO 722 Cb 0.50 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.53 3g5u h PRO 722 CO 0.11 0.00 -0.12 0.00 -0.21 0.00 0.00 178.00 177.78 3g5u h ALA 723 N 1.62 0.26 -0.16 -0.75 0.00 -0.45 0.71 119.26 120.49 3g5u h ALA 723 Ca 0.30 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.41 3g5u h ALA 723 Cb 1.26 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 3g5u h ALA 723 CO -0.00 -0.46 -0.07 0.35 0.00 0.00 0.00 179.25 179.07 3g5u h PHE 724 N -0.01 -0.15 -0.95 0.00 3.57 0.26 0.13 116.94 119.79 3g5u h PHE 724 Ca 0.21 0.02 0.24 0.00 3.53 0.00 0.00 57.97 61.96 3g5u h PHE 724 Cb 0.33 0.09 -0.17 0.00 2.79 0.00 0.00 35.95 38.98 3g5u h PHE 724 CO -0.38 -0.11 -0.02 0.77 -2.23 0.00 0.00 178.31 176.34 3g5u h SER 725 N -0.04 -0.53 0.07 0.41 0.02 -0.21 -1.73 113.55 111.54 3g5u h SER 725 Ca 0.08 0.27 -0.15 0.00 -0.84 0.00 0.00 61.79 61.15 3g5u h SER 725 Cb 0.17 0.48 0.02 0.00 0.14 0.00 0.00 62.40 63.21 3g5u h SER 725 CO -0.19 -0.32 -0.64 0.58 -1.14 0.00 0.00 176.83 175.12 3g5u h VAL 726 N 0.03 1.50 -0.90 2.27 2.07 -0.29 -1.90 116.25 119.03 3g5u h VAL 726 Ca 0.54 -2.31 0.16 0.00 0.82 0.00 0.00 66.70 65.91 3g5u h VAL 726 Cb 1.05 2.97 -0.10 0.00 -1.52 0.00 0.00 31.29 33.69 3g5u h VAL 726 CO -0.89 0.66 0.50 -0.29 0.02 0.00 0.00 177.57 177.56 3g5u h ILE 727 N -0.33 0.74 0.52 4.57 -0.00 -0.38 0.91 117.51 123.54 3g5u h ILE 727 Ca -0.10 -0.24 -0.03 0.00 -0.00 0.00 0.00 64.86 64.50 3g5u h ILE 727 Cb 1.43 -0.02 0.01 0.00 -0.00 0.00 0.00 36.82 38.24 3g5u h ILE 727 CO 0.12 0.13 -0.25 0.15 -0.00 0.00 0.00 178.15 178.30 3g5u h PHE 728 N 0.69 -0.65 -1.26 2.19 3.04 -1.40 -1.65 116.94 117.90 3g5u h PHE 728 Ca 0.50 -0.02 0.36 0.00 3.98 0.00 0.00 57.97 62.80 3g5u h PHE 728 Cb 0.71 0.22 -0.07 0.00 2.56 0.00 0.00 35.95 39.36 3g5u h PHE 728 CO -0.06 -0.41 0.88 0.66 -2.02 0.00 0.00 178.31 177.36 3g5u h SER 729 N -1.15 0.13 0.46 0.41 4.64 -0.80 0.52 113.55 117.76 3g5u h SER 729 Ca -0.07 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3g5u h SER 729 Cb 0.54 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3g5u h SER 729 CO 0.12 -0.00 -0.22 0.50 -0.87 0.00 0.00 176.83 176.35 3g5u h LYS 730 N 0.10 -0.60 0.00 4.77 3.64 0.11 -0.61 116.57 123.99 3g5u h LYS 730 Ca 0.65 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.07 3g5u h LYS 730 Cb 2.30 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 34.26 3g5u h LYS 730 CO -0.13 -0.29 0.00 0.28 -2.27 0.00 0.00 179.45 177.04 3g5u n VAL 731 N -5.23 0.00 -0.31 2.00 0.31 0.18 0.17 118.33 115.45 3g5u n VAL 731 Ca -0.10 1.31 -0.09 0.00 -0.01 0.00 0.00 64.34 65.45 3g5u n VAL 731 Cb 0.30 -1.89 -0.06 0.00 -0.91 0.00 0.00 33.84 31.27 3g5u n VAL 731 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3g5u h VAL 732 N 0.00 0.02 -0.14 2.52 -1.51 -1.49 -1.11 116.25 114.54 3g5u h VAL 732 Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.49 3g5u h VAL 732 Cb 0.00 0.02 -0.03 0.00 -2.13 0.00 0.00 31.29 29.15 3g5u h VAL 732 CO 0.00 0.00 -0.19 1.23 -1.23 0.00 0.00 177.57 177.38 3g5u h GLY 733 N -0.13 -1.61 -1.47 5.19 0.00 0.62 0.95 103.07 106.61 3g5u h GLY 733 Ca 0.18 0.79 0.00 0.00 0.00 0.00 0.00 47.33 48.29 3g5u h GLY 733 CO -0.82 -0.52 0.00 1.55 0.00 0.00 0.00 176.54 176.75 3g5u n VAL 734 N -3.63 0.16 -0.83 4.60 3.14 0.45 -0.72 118.33 121.50 3g5u n VAL 734 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 3g5u n VAL 734 Cb 0.12 -0.40 0.00 0.00 -1.06 0.00 0.00 33.84 32.50 3g5u n VAL 734 CO 0.00 0.00 0.00 0.33 -6.46 0.00 0.00 176.83 170.70 3g5u n PHE 735 N 0.57 0.00 0.98 1.45 -0.00 0.24 -4.78 117.46 115.92 3g5u n PHE 735 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.55 3g5u n PHE 735 Cb 0.12 0.01 -0.11 0.00 -0.00 0.00 0.00 39.48 39.50 3g5u n PHE 735 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3g5u n THR 736 N 0.00 0.00 -3.15 -2.13 -2.24 0.30 -4.84 114.28 102.22 3g5u n THR 736 Ca 0.00 -0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 3g5u n THR 736 Cb 0.06 0.95 -0.01 0.00 -2.10 0.00 0.00 70.33 69.22 3g5u n THR 736 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g5u s ASN 737 N -3.04 -0.86 0.00 3.42 4.22 -0.73 -4.35 114.94 113.60 3g5u s ASN 737 Ca 0.08 0.45 0.00 0.00 -2.14 0.00 0.00 52.86 51.25 3g5u s ASN 737 Cb 0.16 1.69 0.00 0.00 1.28 0.00 0.00 41.25 44.38 3g5u s ASN 737 CO 0.86 -0.16 0.00 0.61 -2.04 0.00 0.00 177.10 176.37 3g5u n GLY 738 N 5.42 -0.97 3.67 0.45 0.00 -1.26 -4.59 105.19 107.92 3g5u n GLY 738 Ca -0.02 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 3g5u n GLY 738 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g5u s GLY 739 N 0.00 1.88 0.16 -0.02 0.00 -1.26 -5.00 107.32 103.07 3g5u s GLY 739 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 44.72 44.70 3g5u s GLY 739 CO 0.00 2.16 1.55 -0.56 0.00 0.00 0.00 173.10 176.24 3g5u h PRO 740 N 7.44 -0.15 -7.34 2.90 0.13 -2.00 -3.36 132.00 129.63 3g5u h PRO 740 Ca -0.24 0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.39 3g5u h PRO 740 Cb 1.09 0.03 0.08 0.00 0.13 0.00 0.00 31.00 32.33 3g5u h PRO 740 CO 0.94 -0.10 0.39 -1.25 -0.23 0.00 0.00 178.00 177.75 3g5u s PRO 741 N -5.63 3.23 0.00 1.56 0.04 -1.26 -3.11 135.00 129.84 3g5u s PRO 741 Ca -0.13 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.80 3g5u s PRO 741 Cb 0.11 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3g5u s PRO 741 CO 0.63 -0.86 0.00 0.39 0.04 0.00 0.00 177.00 177.20 3g5u n GLU 742 N -2.89 0.00 0.19 4.56 -0.58 -1.26 -4.81 120.64 115.85 3g5u n GLU 742 Ca 0.07 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 56.98 3g5u n GLU 742 Cb 0.54 -1.03 0.81 0.00 -0.57 0.00 0.00 31.44 31.19 3g5u n GLU 742 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3g5u h THR 743 N 0.00 0.50 0.05 2.62 1.35 -1.69 1.05 112.91 116.79 3g5u h THR 743 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3g5u h THR 743 Cb 0.00 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 3g5u h THR 743 CO 0.00 0.00 -0.03 -0.61 -0.25 0.00 0.00 175.52 174.63 3g5u h GLN 744 N 0.00 -0.07 -0.48 4.72 5.75 -1.87 0.63 115.11 123.79 3g5u h GLN 744 Ca 0.10 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.53 3g5u h GLN 744 Cb 0.52 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 3g5u h GLN 744 CO -0.00 0.33 0.01 -0.09 -2.65 0.00 0.00 178.83 176.43 3g5u h ARG 745 N -0.48 0.84 0.04 1.69 9.65 -1.20 0.96 114.38 125.87 3g5u h ARG 745 Ca -0.01 -0.26 0.02 0.00 -1.10 0.00 0.00 59.98 58.63 3g5u h ARG 745 Cb 0.43 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 3g5u h ARG 745 CO 0.01 0.88 -0.15 1.96 2.80 0.00 0.00 179.97 185.47 3g5u h GLN 746 N 0.70 -0.26 0.00 0.20 1.08 0.11 1.44 115.11 118.38 3g5u h GLN 746 Ca 0.14 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3g5u h GLN 746 Cb 0.50 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 3g5u h GLN 746 CO 0.02 -0.17 0.00 -1.71 -0.95 0.00 0.00 178.83 176.02 3g5u n ASN 747 N -5.28 0.00 -0.05 1.46 2.85 0.22 -1.06 115.26 113.40 3g5u n ASN 747 Ca -0.06 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.43 3g5u n ASN 747 Cb 0.20 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.25 3g5u n ASN 747 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 3g5u n SER 748 N 0.00 -0.03 0.00 1.20 7.64 0.33 0.29 113.62 123.05 3g5u n SER 748 Ca 0.00 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.11 3g5u n SER 748 Cb 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3g5u n SER 748 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3g5u n ASN 749 N -4.07 0.00 -0.32 6.43 2.85 0.49 -1.66 115.26 118.99 3g5u n ASN 749 Ca 0.03 0.59 0.31 0.00 -0.11 0.00 0.00 54.58 55.40 3g5u n ASN 749 Cb 0.08 -0.09 0.57 0.00 1.24 0.00 0.00 39.78 41.59 3g5u n ASN 749 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3g5u n LEU 750 N -0.77 0.32 0.00 1.20 4.77 0.15 -0.22 117.00 122.44 3g5u n LEU 750 Ca 0.00 1.54 0.00 0.00 -0.03 0.00 0.00 56.01 57.52 3g5u n LEU 750 Cb 0.00 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 3g5u n LEU 750 CO 0.00 -1.72 0.42 0.33 -1.33 0.00 0.00 177.39 175.09 3g5u n PHE 751 N -5.08 0.00 -0.27 -1.77 -0.00 -0.01 0.68 117.46 111.01 3g5u n PHE 751 Ca 0.36 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.87 3g5u n PHE 751 Cb 1.25 -0.33 0.16 0.00 -0.00 0.00 0.00 39.48 40.56 3g5u n PHE 751 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3g5u h SER 752 N 0.00 -0.41 -0.46 -2.13 0.87 -0.16 0.28 113.55 111.54 3g5u h SER 752 Ca 0.00 0.21 0.09 0.00 -1.23 0.00 0.00 61.79 60.85 3g5u h SER 752 Cb 0.00 0.37 -0.10 0.00 -0.44 0.00 0.00 62.40 62.23 3g5u h SER 752 CO 0.00 -0.20 -0.32 0.25 -0.53 0.00 0.00 176.83 176.03 3g5u h LEU 753 N 0.08 -1.08 -0.61 2.23 5.85 -0.26 0.53 115.31 122.06 3g5u h LEU 753 Ca 0.42 0.20 0.11 0.00 0.84 0.00 0.00 57.88 59.45 3g5u h LEU 753 Cb 0.75 0.52 -0.08 0.00 0.37 0.00 0.00 40.66 42.21 3g5u h LEU 753 CO -0.70 -0.31 0.15 -0.07 -0.34 0.00 0.00 178.44 177.17 3g5u h LEU 754 N -0.22 0.06 0.00 2.25 3.38 0.39 -1.00 115.31 120.16 3g5u h LEU 754 Ca 0.19 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3g5u h LEU 754 Cb 0.54 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3g5u h LEU 754 CO -0.58 0.04 0.00 0.33 0.09 0.00 0.00 178.44 178.31 3g5u n PHE 755 N -5.10 0.00 -0.22 1.13 -0.00 0.14 -1.62 117.46 111.79 3g5u n PHE 755 Ca 0.09 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.56 3g5u n PHE 755 Cb 0.32 0.00 0.06 0.00 -0.00 0.00 0.00 39.48 39.86 3g5u n PHE 755 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 3g5u n LEU 756 N -0.34 -0.29 0.00 -2.13 -0.00 0.11 -0.67 117.00 113.68 3g5u n LEU 756 Ca 0.00 1.05 0.00 0.00 -0.00 0.00 0.00 56.01 57.06 3g5u n LEU 756 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 3g5u n LEU 756 CO 0.00 -0.98 0.07 -0.38 -0.00 0.00 0.00 177.39 176.10 3g5u n ILE 757 N -4.95 0.00 0.00 1.47 2.08 -0.38 -1.68 119.36 115.90 3g5u n ILE 757 Ca 0.08 0.65 0.00 0.00 0.56 0.00 0.00 62.75 64.04 3g5u n ILE 757 Cb 0.28 -1.55 0.00 0.00 -0.75 0.00 0.00 39.64 37.62 3g5u n ILE 757 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3g5u n LEU 758 N -0.18 0.00 -0.00 1.39 0.00 -0.64 -1.58 117.00 116.00 3g5u n LEU 758 Ca 0.00 0.49 -0.00 0.00 0.00 0.00 0.00 56.01 56.50 3g5u n LEU 758 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.42 3g5u n LEU 758 CO 0.00 0.00 0.09 0.61 0.00 0.00 0.00 177.39 178.09 3g5u n GLY 759 N -0.89 -0.57 0.00 -3.96 0.00 0.15 -1.47 105.19 98.45 3g5u n GLY 759 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3g5u n GLY 759 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3g5u n ILE 760 N -2.21 0.00 -0.02 -0.61 -0.00 -0.68 -1.76 119.36 114.08 3g5u n ILE 760 Ca 0.00 0.80 -0.00 0.00 -0.00 0.00 0.00 62.75 63.55 3g5u n ILE 760 Cb 0.00 -1.66 -0.00 0.00 -0.00 0.00 0.00 39.64 37.98 3g5u n ILE 760 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 3g5u n ILE 761 N -0.44 -0.03 0.35 1.39 5.41 -0.61 0.92 119.36 126.36 3g5u n ILE 761 Ca 0.00 0.10 -0.14 0.00 1.00 0.00 0.00 62.75 63.71 3g5u n ILE 761 Cb 0.00 -0.13 -0.07 0.00 -0.71 0.00 0.00 39.64 38.73 3g5u n ILE 761 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 3g5u h SER 762 N 0.00 -0.78 -0.66 4.38 0.87 -1.33 0.99 113.55 117.01 3g5u h SER 762 Ca 0.01 0.03 0.15 0.00 -1.23 0.00 0.00 61.79 60.75 3g5u h SER 762 Cb 0.02 0.20 -0.13 0.00 -0.44 0.00 0.00 62.40 62.06 3g5u h SER 762 CO -0.04 -0.48 -0.10 0.33 -0.53 0.00 0.00 176.83 176.01 3g5u n PHE 763 N -4.93 0.31 0.00 2.24 -0.00 0.26 0.20 117.46 115.55 3g5u n PHE 763 Ca -0.11 0.81 0.00 0.00 -0.00 0.00 0.00 57.45 58.14 3g5u n PHE 763 Cb 0.36 -0.93 0.00 0.00 -0.00 0.00 0.00 39.48 38.91 3g5u n PHE 763 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 3g5u n ILE 764 N -5.01 0.00 -0.06 -2.13 2.08 -0.44 -1.97 119.36 111.84 3g5u n ILE 764 Ca 0.13 1.25 -0.01 0.00 0.56 0.00 0.00 62.75 64.67 3g5u n ILE 764 Cb 0.40 -2.22 -0.01 0.00 -0.75 0.00 0.00 39.64 37.07 3g5u n ILE 764 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 3g5u n THR 765 N -1.30 -0.09 0.00 1.39 5.66 0.53 -0.64 114.28 119.83 3g5u n THR 765 Ca 0.00 0.34 0.00 0.00 -3.05 0.00 0.00 64.05 61.34 3g5u n THR 765 Cb 0.00 -0.43 0.00 0.00 -1.55 0.00 0.00 70.33 68.35 3g5u n THR 765 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 3g5u n PHE 766 N -4.19 0.00 -0.06 1.09 3.01 0.02 -0.89 117.46 116.45 3g5u n PHE 766 Ca 0.01 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.45 3g5u n PHE 766 Cb 0.04 -0.25 -0.01 0.00 -0.01 0.00 0.00 39.48 39.25 3g5u n PHE 766 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3g5u n PHE 767 N -1.33 -0.06 0.21 1.38 7.35 0.19 0.71 117.46 125.91 3g5u n PHE 767 Ca 0.00 0.18 -0.10 0.00 -0.76 0.00 0.00 57.45 56.77 3g5u n PHE 767 Cb 0.00 -0.33 -0.05 0.00 0.35 0.00 0.00 39.48 39.45 3g5u n PHE 767 CO 0.00 0.00 0.00 1.37 -0.76 0.00 0.00 176.76 177.37 3g5u h LEU 768 N 0.00 -0.64 -0.65 -2.13 8.10 -1.39 -1.80 115.31 116.80 3g5u h LEU 768 Ca 0.02 0.04 0.12 0.00 0.11 0.00 0.00 57.88 58.17 3g5u h LEU 768 Cb 0.06 0.19 -0.09 0.00 -0.44 0.00 0.00 40.66 40.38 3g5u h LEU 768 CO -0.13 -0.38 0.20 0.06 -4.11 0.00 0.00 178.44 174.08 3g5u h GLN 769 N -0.60 0.33 -0.44 0.17 3.07 0.10 0.25 115.11 117.99 3g5u h GLN 769 Ca -0.05 -0.02 0.02 0.00 0.09 0.00 0.00 58.65 58.69 3g5u h GLN 769 Cb 0.49 -0.08 -0.02 0.00 0.08 0.00 0.00 27.48 27.95 3g5u h GLN 769 CO 0.04 0.22 0.29 0.78 0.09 0.00 0.00 178.83 180.26 3g5u h GLY 770 N 0.34 0.57 0.60 0.06 0.00 0.29 -1.09 103.07 103.84 3g5u h GLY 770 Ca 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 3g5u h GLY 770 CO -0.39 0.19 -0.29 -2.75 0.00 0.00 0.00 176.54 173.30 3g5u h PHE 771 N 0.52 -0.74 0.56 5.60 -0.00 0.38 -2.11 116.94 121.15 3g5u h PHE 771 Ca 0.17 -0.02 -0.03 0.00 -0.00 0.00 0.00 57.97 58.10 3g5u h PHE 771 Cb 0.06 0.25 0.00 0.00 -0.00 0.00 0.00 35.95 36.25 3g5u h PHE 771 CO -0.00 -0.46 -0.29 1.79 -0.00 0.00 0.00 178.31 179.35 3g5u h THR 772 N -0.93 0.00 -0.85 4.41 1.35 -1.22 -2.30 112.91 113.36 3g5u h THR 772 Ca -0.08 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.80 3g5u h THR 772 Cb 0.61 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 66.99 3g5u h THR 772 CO 0.13 0.00 0.56 2.19 -0.25 0.00 0.00 175.52 178.16 3g5u h PHE 773 N -0.78 1.05 -0.34 4.73 -5.15 -1.37 -1.26 116.94 113.82 3g5u h PHE 773 Ca -0.08 0.03 -0.00 0.00 -0.20 0.00 0.00 57.97 57.72 3g5u h PHE 773 Cb 0.61 -0.35 -0.02 0.00 0.22 0.00 0.00 35.95 36.40 3g5u h PHE 773 CO 0.06 0.64 0.21 0.78 -2.00 0.00 0.00 178.31 178.00 3g5u h GLY 774 N 1.11 0.49 1.72 6.09 0.00 -1.45 -0.89 103.07 110.14 3g5u h GLY 774 Ca 0.32 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.49 3g5u h GLY 774 CO -0.08 0.19 0.11 1.70 0.00 0.00 0.00 176.54 178.46 3g5u h LYS 775 N 0.44 0.00 -0.23 4.80 3.64 -0.66 0.72 116.57 125.29 3g5u h LYS 775 Ca 0.12 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 3g5u h LYS 775 Cb -0.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3g5u h LYS 775 CO -0.02 0.00 -0.38 0.00 -2.27 0.00 0.00 179.45 176.78 3g5u h ALA 776 N 1.89 0.91 -0.26 5.00 0.00 -0.40 -1.89 119.26 124.51 3g5u h ALA 776 Ca 0.05 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 3g5u h ALA 776 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3g5u h ALA 776 CO -0.00 0.63 -0.20 0.78 0.00 0.00 0.00 179.25 180.45 3g5u h GLY 777 N 1.07 0.65 0.00 0.00 0.00 0.12 -0.84 103.07 104.08 3g5u h GLY 777 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3g5u h GLY 777 CO 0.07 0.58 0.00 1.18 0.00 0.00 0.00 176.54 178.37 3g5u n GLU 778 N -4.38 0.00 -0.40 4.80 1.02 -0.37 -1.54 120.64 119.77 3g5u n GLU 778 Ca -0.04 0.14 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 3g5u n GLU 778 Cb 0.41 -0.88 -0.10 0.00 -0.02 0.00 0.00 31.44 30.86 3g5u n GLU 778 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3g5u n ILE 779 N -0.52 -0.65 -0.34 -3.67 -5.35 -0.73 -0.29 119.36 107.82 3g5u n ILE 779 Ca 0.00 2.34 0.04 0.00 -0.27 0.00 0.00 62.75 64.86 3g5u n ILE 779 Cb 0.00 -2.89 0.12 0.00 -1.74 0.00 0.00 39.64 35.13 3g5u n ILE 779 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3g5u h LEU 780 N 0.00 -0.94 -0.68 7.28 3.38 -1.18 0.44 115.31 123.61 3g5u h LEU 780 Ca 0.15 0.29 -0.05 0.00 0.09 0.00 0.00 57.88 58.36 3g5u h LEU 780 Cb 0.39 0.60 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 3g5u h LEU 780 CO -0.89 -0.31 0.24 0.74 0.09 0.00 0.00 178.44 178.30 3g5u h THR 781 N -0.00 1.25 0.13 0.22 2.02 0.42 -1.85 112.91 115.10 3g5u h THR 781 Ca 0.44 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3g5u h THR 781 Cb 0.68 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3g5u h THR 781 CO -0.97 0.32 -0.06 0.11 0.37 0.00 0.00 175.52 175.29 3g5u h LYS 782 N 0.98 -0.16 0.00 6.66 1.57 0.46 0.15 116.57 126.23 3g5u h LYS 782 Ca 0.22 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3g5u h LYS 782 Cb 0.26 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3g5u h LYS 782 CO -0.01 -0.11 0.42 -0.09 -0.57 0.00 0.00 179.45 179.09 3g5u h ARG 783 N -0.30 0.00 0.00 3.15 2.43 -1.04 -1.11 114.38 117.51 3g5u h ARG 783 Ca -0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3g5u h ARG 783 Cb 0.13 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3g5u h ARG 783 CO 0.03 0.00 -0.29 1.25 -1.51 0.00 0.00 179.97 179.45 3g5u h LEU 784 N 0.00 0.00 -0.92 3.80 7.12 -1.12 -2.15 115.31 122.04 3g5u h LEU 784 Ca 0.00 -0.18 0.25 0.00 0.13 0.00 0.00 57.88 58.07 3g5u h LEU 784 Cb 0.85 0.00 -0.13 0.00 -0.53 0.00 0.00 40.66 40.85 3g5u h LEU 784 CO 0.00 0.75 0.41 0.03 -0.13 0.00 0.00 178.44 179.50 3g5u h ARG 785 N -1.00 0.35 0.00 1.25 3.08 0.51 0.82 114.38 119.39 3g5u h ARG 785 Ca -0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3g5u h ARG 785 Cb 0.42 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3g5u h ARG 785 CO -0.02 0.23 0.00 0.98 -1.07 0.00 0.00 179.97 180.09 3g5u n TYR 786 N -5.07 0.00 -0.21 3.04 -0.00 -0.68 -0.84 117.16 113.40 3g5u n TYR 786 Ca 0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 58.12 3g5u n TYR 786 Cb 0.73 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.34 39.81 3g5u n TYR 786 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 3g5u n MET 787 N -1.30 -0.17 0.10 2.98 2.81 -0.53 0.02 117.12 121.03 3g5u n MET 787 Ca 0.00 0.81 -0.13 0.00 -1.81 0.00 0.00 57.70 56.58 3g5u n MET 787 Cb 0.00 -1.20 -0.07 0.00 -0.71 0.00 0.00 33.22 31.24 3g5u n MET 787 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3g5u h VAL 788 N 0.00 0.80 0.17 2.03 2.07 -0.84 -1.35 116.25 119.13 3g5u h VAL 788 Ca 0.14 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.68 3g5u h VAL 788 Cb 0.28 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3g5u h VAL 788 CO -0.52 0.00 -0.29 0.15 0.02 0.00 0.00 177.57 176.93 3g5u h PHE 789 N -0.21 -0.78 -0.42 1.57 -0.00 0.16 0.10 116.94 117.36 3g5u h PHE 789 Ca -0.00 0.01 0.07 0.00 -0.00 0.00 0.00 57.97 58.06 3g5u h PHE 789 Cb 0.19 0.32 -0.02 0.00 -0.00 0.00 0.00 35.95 36.44 3g5u h PHE 789 CO -0.10 -0.40 0.29 0.87 -0.00 0.00 0.00 178.31 178.97 3g5u h LYS 790 N -0.54 0.26 -0.86 1.11 1.79 -1.27 0.18 116.57 117.25 3g5u h LYS 790 Ca 0.02 -0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.59 3g5u h LYS 790 Cb 0.54 -0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 31.05 3g5u h LYS 790 CO -0.14 0.17 0.48 0.77 -1.08 0.00 0.00 179.45 179.65 3g5u h SER 791 N 0.27 0.65 0.33 0.86 0.02 0.36 0.17 113.55 116.20 3g5u h SER 791 Ca 0.19 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 3g5u h SER 791 Cb 0.42 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3g5u h SER 791 CO -0.04 0.33 -0.16 0.24 -1.14 0.00 0.00 176.83 176.06 3g5u h MET 792 N 0.75 -0.43 -0.59 3.45 2.86 0.19 1.01 114.93 122.16 3g5u h MET 792 Ca 0.44 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 58.22 3g5u h MET 792 Cb 0.50 0.10 -0.11 0.00 0.06 0.00 0.00 31.60 32.14 3g5u h MET 792 CO -0.30 -0.11 -0.23 1.25 1.06 0.00 0.00 176.91 178.58 3g5u h LEU 793 N -0.92 -0.81 -0.43 1.22 7.12 -0.86 0.12 115.31 120.75 3g5u h LEU 793 Ca -0.05 0.20 -0.10 0.00 0.13 0.00 0.00 57.88 58.06 3g5u h LEU 793 Cb 0.52 0.46 -0.01 0.00 -0.53 0.00 0.00 40.66 41.10 3g5u h LEU 793 CO 0.08 -0.25 -0.13 0.03 -0.13 0.00 0.00 178.44 178.03 3g5u h ARG 794 N -0.08 0.85 0.00 1.25 3.08 -0.67 -3.42 114.38 115.39 3g5u h ARG 794 Ca 0.27 -0.34 -0.23 0.00 0.07 0.00 0.00 59.98 59.75 3g5u h ARG 794 Cb 0.50 -0.04 0.13 0.00 0.08 0.00 0.00 29.97 30.64 3g5u h ARG 794 CO -0.64 0.97 -0.11 1.04 -1.07 0.00 0.00 179.97 180.16 3g5u n GLN 795 N -4.26 -3.05 -0.90 0.04 1.13 0.35 -4.66 117.38 106.03 3g5u n GLN 795 Ca -0.01 -0.90 0.00 0.00 -1.94 0.00 0.00 57.00 54.15 3g5u n GLN 795 Cb 0.39 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.42 3g5u n GLN 795 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3g5u n ASP 796 N -3.75 0.00 -0.21 1.08 3.85 -1.26 -4.87 116.55 111.39 3g5u n ASP 796 Ca 0.09 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.17 3g5u n ASP 796 Cb 0.37 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.14 3g5u n ASP 796 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 3g5u n VAL 797 N 9.00 0.00 0.00 2.12 0.31 -1.26 -3.36 118.33 125.14 3g5u n VAL 797 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3g5u n VAL 797 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3g5u n VAL 797 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3g5u n SER 798 N -0.26 0.00 0.00 4.52 7.64 -1.26 -1.55 113.62 122.70 3g5u n SER 798 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3g5u n SER 798 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3g5u n SER 798 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 3g5u n TRP 799 N -0.30 0.00 0.45 1.43 -0.00 -1.21 -1.87 117.44 115.93 3g5u n TRP 799 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.62 3g5u n TRP 799 Cb 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 31.31 31.47 3g5u n TRP 799 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 3g5u h PHE 800 N 0.00 0.00 -0.03 5.87 0.04 -1.82 -1.99 116.94 119.01 3g5u h PHE 800 Ca 0.00 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.78 3g5u h PHE 800 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 3g5u h PHE 800 CO 0.00 0.00 0.06 -0.44 -0.60 0.00 0.00 178.31 177.33 3g5u h ASP 801 N 0.00 0.00 -0.52 2.17 5.19 -1.37 -3.30 116.42 118.59 3g5u h ASP 801 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 3g5u h ASP 801 Cb 0.82 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.17 3g5u h ASP 801 CO 0.00 0.00 -0.27 -0.62 -3.12 0.00 0.00 179.24 175.23 3g5u s ASP 802 N -5.60 -0.75 0.00 6.45 2.15 -0.78 -4.81 116.67 113.32 3g5u s ASP 802 Ca -0.05 -0.83 0.00 0.00 0.43 0.00 0.00 52.55 52.10 3g5u s ASP 802 Cb 0.14 0.98 0.00 0.00 -0.30 0.00 0.00 42.92 43.74 3g5u s ASP 802 CO 0.48 -0.03 0.00 -0.81 -0.17 0.00 0.00 175.17 174.63 3g5u n PRO 803 N 2.90 3.64 0.00 4.34 -0.04 -0.75 -4.52 135.00 140.57 3g5u n PRO 803 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 3g5u n PRO 803 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 3g5u n PRO 803 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3g5u n LYS 804 N 0.00 0.00 -3.45 0.54 0.00 -1.26 -5.05 118.16 108.95 3g5u n LYS 804 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.05 3g5u n LYS 804 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 34.94 3g5u n LYS 804 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3g5u n ASN 805 N 0.00 2.52 -4.40 -5.58 3.02 -1.26 -5.02 115.26 104.54 3g5u n ASN 805 Ca 0.00 -3.16 -0.33 0.00 -0.03 0.00 0.00 54.58 51.06 3g5u n ASN 805 Cb 0.00 -0.67 0.12 0.00 -0.61 0.00 0.00 39.78 38.62 3g5u n ASN 805 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3g5u n THR 806 N 1.30 0.02 -0.22 3.41 5.66 -1.26 -4.66 114.28 118.53 3g5u n THR 806 Ca 0.26 -0.20 0.01 0.00 -3.05 0.00 0.00 64.05 61.07 3g5u n THR 806 Cb 0.43 -0.60 0.09 0.00 -1.55 0.00 0.00 70.33 68.71 3g5u n THR 806 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 3g5u h THR 807 N -1.53 0.39 0.04 1.09 2.02 -2.00 -1.29 112.91 111.64 3g5u h THR 807 Ca -0.43 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3g5u h THR 807 Cb 1.28 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3g5u h THR 807 CO 0.34 0.01 -0.10 1.23 0.37 0.00 0.00 175.52 177.37 3g5u h GLY 808 N 0.05 -1.11 -1.02 2.16 0.00 -1.99 0.66 103.07 101.83 3g5u h GLY 808 Ca 0.33 0.50 0.33 0.00 0.00 0.00 0.00 47.33 48.49 3g5u h GLY 808 CO -0.62 -0.39 0.69 0.00 0.00 0.00 0.00 176.54 176.21 3g5u n ALA 809 N -2.49 1.00 -0.05 3.60 0.00 -0.55 0.94 120.51 122.96 3g5u n ALA 809 Ca -0.02 0.52 -0.20 0.00 0.00 0.00 0.00 53.44 53.74 3g5u n ALA 809 Cb 0.08 -0.70 -0.13 0.00 0.00 0.00 0.00 19.45 18.70 3g5u n ALA 809 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3g5u h LEU 810 N 0.00 0.18 -0.53 0.00 3.38 -0.57 -1.87 115.31 115.89 3g5u h LEU 810 Ca 0.58 -0.77 0.06 0.00 0.09 0.00 0.00 57.88 57.84 3g5u h LEU 810 Cb 2.04 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.68 3g5u h LEU 810 CO -0.20 1.45 0.25 0.71 0.09 0.00 0.00 178.44 180.74 3g5u h THR 811 N -0.68 0.92 0.00 0.22 1.35 0.28 -0.53 112.91 114.47 3g5u h THR 811 Ca -0.26 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3g5u h THR 811 Cb 1.45 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3g5u h THR 811 CO -0.04 0.09 0.00 0.41 -0.25 0.00 0.00 175.52 175.73 3g5u n THR 812 N -4.90 0.00 -0.27 6.82 -1.04 0.13 -1.76 114.28 113.25 3g5u n THR 812 Ca 0.05 1.29 -0.06 0.00 -2.04 0.00 0.00 64.05 63.30 3g5u n THR 812 Cb 0.17 -1.90 -0.04 0.00 -1.82 0.00 0.00 70.33 66.74 3g5u n THR 812 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3g5u n ARG 813 N -2.00 -0.26 0.00 -2.82 5.12 -0.70 -1.28 116.66 114.71 3g5u n ARG 813 Ca 0.00 1.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.93 3g5u n ARG 813 Cb 0.00 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.81 3g5u n ARG 813 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3g5u n LEU 814 N -4.87 0.00 0.00 0.55 7.99 -0.25 -1.74 117.00 118.69 3g5u n LEU 814 Ca 0.03 0.81 0.00 0.00 -0.01 0.00 0.00 56.01 56.83 3g5u n LEU 814 Cb 0.20 -0.31 0.00 0.00 -0.11 0.00 0.00 43.42 43.20 3g5u n LEU 814 CO -0.10 -0.31 0.44 0.00 -1.51 0.00 0.00 177.39 175.91 3g5u n ALA 815 N -2.01 -0.28 -0.20 -1.18 0.00 -0.41 -2.52 120.51 113.91 3g5u n ALA 815 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3g5u n ALA 815 Cb 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.48 3g5u n ALA 815 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3g5u h ASN 816 N 0.00 -1.87 -0.57 0.00 7.08 -1.45 -2.84 115.58 115.93 3g5u h ASN 816 Ca 0.00 0.26 0.11 0.00 -3.08 0.00 0.00 56.30 53.59 3g5u h ASN 816 Cb 0.00 0.78 -0.09 0.00 -2.08 0.00 0.00 38.32 36.94 3g5u h ASN 816 CO 0.00 -0.34 0.08 0.44 -2.08 0.00 0.00 177.43 175.53 3g5u h ASP 817 N -0.28 -0.08 -0.12 6.14 3.32 -1.41 -0.78 116.42 123.20 3g5u h ASP 817 Ca 0.09 0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.30 3g5u h ASP 817 Cb 0.53 0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.20 3g5u h ASP 817 CO -0.66 -0.02 -0.22 0.00 -1.72 0.00 0.00 179.24 176.61 3g5u h ALA 818 N 1.48 -0.19 -0.48 3.45 0.00 -1.37 -1.73 119.26 120.42 3g5u h ALA 818 Ca 0.30 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3g5u h ALA 818 Cb 0.45 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3g5u h ALA 818 CO -0.42 -0.68 0.00 0.00 0.00 0.00 0.00 179.25 178.15 3g5u n ALA 819 N -2.69 -0.09 -0.30 0.00 0.00 -0.38 -2.26 120.51 114.79 3g5u n ALA 819 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 3g5u n ALA 819 Cb 0.27 0.36 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 3g5u n ALA 819 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3g5u n GLN 820 N -2.48 -0.26 -0.17 0.00 1.13 -0.71 -0.57 117.38 114.33 3g5u n GLN 820 Ca 0.00 1.11 -0.02 0.00 -1.94 0.00 0.00 57.00 56.15 3g5u n GLN 820 Cb 0.00 -1.64 0.07 0.00 0.11 0.00 0.00 30.24 28.78 3g5u n GLN 820 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 3g5u h VAL 821 N 0.00 0.66 -1.00 5.09 -1.51 -0.92 1.30 116.25 119.87 3g5u h VAL 821 Ca 0.18 -0.07 0.35 0.00 -1.23 0.00 0.00 66.70 65.93 3g5u h VAL 821 Cb 0.36 0.45 -0.16 0.00 -2.13 0.00 0.00 31.29 29.81 3g5u h VAL 821 CO -0.70 0.04 0.54 0.50 -1.23 0.00 0.00 177.57 176.71 3g5u h LYS 822 N 0.19 0.21 -0.42 5.19 3.64 -0.39 1.50 116.57 126.50 3g5u h LYS 822 Ca 0.26 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 3g5u h LYS 822 Cb 0.38 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3g5u h LYS 822 CO -0.37 0.14 0.23 0.78 -2.27 0.00 0.00 179.45 177.95 3g5u h GLY 823 N 0.21 0.57 1.45 5.01 0.00 0.21 -2.53 103.07 108.00 3g5u h GLY 823 Ca 0.76 -0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.99 3g5u h GLY 823 CO -0.66 0.13 0.23 0.00 0.00 0.00 0.00 176.54 176.23 3g5u h ALA 824 N 1.20 2.09 0.02 3.60 0.00 0.26 -2.15 119.26 124.28 3g5u h ALA 824 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3g5u h ALA 824 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3g5u h ALA 824 CO -0.10 -0.16 -0.01 1.15 0.00 0.00 0.00 179.25 180.12 3g5u h THR 825 N 0.17 1.21 -0.39 0.00 2.02 -1.24 -2.99 112.91 111.69 3g5u h THR 825 Ca 0.15 -1.79 0.11 0.00 0.77 0.00 0.00 66.41 65.65 3g5u h THR 825 Cb 0.38 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 69.01 3g5u h THR 825 CO -0.02 0.39 0.34 1.23 0.37 0.00 0.00 175.52 177.83 3g5u h GLY 826 N -0.95 0.00 0.62 2.16 0.00 -1.42 0.07 103.07 103.55 3g5u h GLY 826 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3g5u h GLY 826 CO 0.01 0.00 -0.04 0.23 0.00 0.00 0.00 176.54 176.74 3g5u h SER 827 N 0.00 -0.09 -0.90 0.19 0.87 -1.48 -2.23 113.55 109.91 3g5u h SER 827 Ca 0.18 -0.33 0.26 0.00 -1.23 0.00 0.00 61.79 60.67 3g5u h SER 827 Cb 0.87 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.81 3g5u h SER 827 CO -0.00 0.30 0.67 0.03 -0.53 0.00 0.00 176.83 177.30 3g5u h ARG 828 N -0.49 0.00 0.51 2.24 2.47 -0.83 -1.87 114.38 116.40 3g5u h ARG 828 Ca -0.01 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 3g5u h ARG 828 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 3g5u h ARG 828 CO 0.02 0.00 -0.24 -0.07 0.56 0.00 0.00 179.97 180.23 3g5u h LEU 829 N 0.00 -0.58 0.00 3.04 3.38 -0.99 -2.57 115.31 117.59 3g5u h LEU 829 Ca 0.43 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3g5u h LEU 829 Cb 1.77 0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.67 3g5u h LEU 829 CO -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.35 3g5u n ALA 830 N -2.66 1.73 -0.43 1.53 0.00 -0.77 -1.92 120.51 117.99 3g5u n ALA 830 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3g5u n ALA 830 Cb 0.30 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3g5u n ALA 830 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g5u n VAL 831 N -1.03 0.00 -0.32 0.00 0.31 -0.78 -2.36 118.33 114.16 3g5u n VAL 831 Ca 0.05 0.29 0.18 0.00 -0.01 0.00 0.00 64.34 64.84 3g5u n VAL 831 Cb 0.03 -1.00 0.36 0.00 -0.91 0.00 0.00 33.84 32.32 3g5u n VAL 831 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3g5u h ILE 832 N 0.00 0.14 0.00 2.52 2.04 -1.26 -1.55 117.51 119.40 3g5u h ILE 832 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3g5u h ILE 832 Cb 0.00 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 3g5u h ILE 832 CO 0.00 0.02 0.00 0.33 0.00 0.00 0.00 178.15 178.50 3g5u n PHE 833 N -5.32 0.00 -0.28 1.37 7.35 -0.81 -1.82 117.46 117.95 3g5u n PHE 833 Ca 0.26 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 57.10 3g5u n PHE 833 Cb 0.85 0.00 0.30 0.00 0.35 0.00 0.00 39.48 40.97 3g5u n PHE 833 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3g5u n GLN 834 N -0.33 -0.06 0.00 -4.13 10.64 -0.99 -1.51 117.38 120.99 3g5u n GLN 834 Ca 0.00 1.20 0.00 0.00 -1.83 0.00 0.00 57.00 56.37 3g5u n GLN 834 Cb 0.00 -1.96 0.00 0.00 -0.86 0.00 0.00 30.24 27.42 3g5u n GLN 834 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 3g5u n ASN 835 N -5.09 0.00 -0.18 2.61 5.15 -0.59 -1.65 115.26 115.50 3g5u n ASN 835 Ca 0.22 0.66 -0.11 0.00 -0.60 0.00 0.00 54.58 54.75 3g5u n ASN 835 Cb 0.73 -0.16 -0.08 0.00 -0.53 0.00 0.00 39.78 39.74 3g5u n ASN 835 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3g5u h ILE 836 N 0.00 0.00 0.00 -1.44 1.08 -0.49 -1.78 117.51 114.89 3g5u h ILE 836 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3g5u h ILE 836 Cb 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.75 3g5u h ILE 836 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.46 3g5u n ALA 837 N -3.08 0.00 -0.27 1.87 0.00 -0.98 -0.94 120.51 117.11 3g5u n ALA 837 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3g5u n ALA 837 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 3g5u n ALA 837 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3g5u n ASN 838 N 0.00 0.00 0.00 0.00 4.05 -0.66 -1.86 115.26 116.79 3g5u n ASN 838 Ca 0.00 0.79 0.00 0.00 0.45 0.00 0.00 54.58 55.82 3g5u n ASN 838 Cb 0.00 -0.33 0.00 0.00 1.23 0.00 0.00 39.78 40.68 3g5u n ASN 838 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 3g5u n LEU 839 N -2.36 0.08 0.00 1.20 7.94 -0.67 -1.53 117.00 121.66 3g5u n LEU 839 Ca 0.00 0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 3g5u n LEU 839 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3g5u n LEU 839 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 3g5u n GLY 840 N 0.47 0.00 0.31 -3.96 0.00 -0.12 0.32 105.19 102.21 3g5u n GLY 840 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3g5u n GLY 840 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3g5u h THR 841 N 0.00 1.25 -0.38 2.61 2.02 -0.74 -1.50 112.91 116.17 3g5u h THR 841 Ca 0.00 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 3g5u h THR 841 Cb 0.00 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 3g5u h THR 841 CO 0.00 0.31 0.08 1.23 0.37 0.00 0.00 175.52 177.51 3g5u h GLY 842 N 1.01 0.66 0.97 2.16 0.00 0.63 -1.88 103.07 106.62 3g5u h GLY 842 Ca 0.23 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3g5u h GLY 842 CO -0.02 0.40 0.11 -2.22 0.00 0.00 0.00 176.54 174.80 3g5u h ILE 843 N 0.47 1.07 0.23 2.60 2.04 0.73 0.77 117.51 125.41 3g5u h ILE 843 Ca 0.12 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.81 3g5u h ILE 843 Cb 0.33 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3g5u h ILE 843 CO 0.00 0.07 -0.50 0.40 0.00 0.00 0.00 178.15 178.12 3g5u h ILE 844 N 0.21 0.04 0.00 -0.67 1.08 -1.18 1.19 117.51 118.18 3g5u h ILE 844 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.53 3g5u h ILE 844 Cb 0.02 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 33.81 3g5u h ILE 844 CO -0.01 0.00 0.00 -0.38 -0.69 0.00 0.00 178.15 177.07 3g5u n ILE 845 N -5.51 1.77 0.16 -0.67 2.08 -0.72 0.18 119.36 116.66 3g5u n ILE 845 Ca -0.09 0.47 0.06 0.00 0.56 0.00 0.00 62.75 63.75 3g5u n ILE 845 Cb 0.42 -1.43 0.07 0.00 -0.75 0.00 0.00 39.64 37.95 3g5u n ILE 845 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 3g5u h SER 846 N 0.00 0.00 0.48 4.38 0.02 0.80 -2.09 113.55 117.14 3g5u h SER 846 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3g5u h SER 846 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3g5u h SER 846 CO 0.00 0.31 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.70 3g5u h LEU 847 N 0.00 -0.54 -1.39 5.07 4.07 0.53 -2.09 115.31 120.96 3g5u h LEU 847 Ca -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3g5u h LEU 847 Cb 1.25 0.14 0.00 0.00 1.08 0.00 0.00 40.66 43.13 3g5u h LEU 847 CO 0.04 -0.12 0.30 -0.29 -1.08 0.00 0.00 178.44 177.29 3g5u h ILE 848 N -1.15 0.00 -3.69 1.22 6.09 -1.45 -3.38 117.51 115.14 3g5u h ILE 848 Ca -0.07 0.00 -0.52 0.00 -1.37 0.00 0.00 64.86 62.91 3g5u h ILE 848 Cb 0.51 0.46 0.04 0.00 0.47 0.00 0.00 36.82 38.31 3g5u h ILE 848 CO 0.11 0.00 0.59 -0.31 -3.07 0.00 0.00 178.15 175.47 3g5u s TYR 849 N -3.69 3.29 -1.23 2.19 4.12 -0.78 -4.91 117.35 116.34 3g5u s TYR 849 Ca -0.02 1.45 -0.05 0.00 0.02 0.00 0.00 57.07 58.47 3g5u s TYR 849 Cb 0.06 -3.52 0.19 0.00 -1.52 0.00 0.00 41.96 37.16 3g5u s TYR 849 CO 0.19 -1.43 2.15 0.41 0.02 0.00 0.00 175.55 176.90 3g5u n GLY 850 N 1.45 5.43 2.83 0.71 0.00 -1.26 -4.90 105.19 109.44 3g5u n GLY 850 Ca 0.02 -2.23 -0.14 0.00 0.00 0.00 0.00 46.02 43.67 3g5u n GLY 850 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3g5u n TRP 851 N 1.41 -1.04 -1.36 1.61 7.02 -1.26 -4.71 117.44 119.10 3g5u n TRP 851 Ca 0.55 0.43 0.00 0.00 -1.02 0.00 0.00 57.50 57.46 3g5u n TRP 851 Cb 0.26 -1.14 0.00 0.00 -2.42 0.00 0.00 31.31 28.01 3g5u n TRP 851 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 3g5u n GLN 852 N -1.07 0.00 0.05 -0.99 1.13 -1.26 -4.94 117.38 110.29 3g5u n GLN 852 Ca -0.12 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 3g5u n GLN 852 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.68 3g5u n GLN 852 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3g5u n LEU 853 N 0.00 -0.52 -0.06 1.08 7.99 -1.26 -3.71 117.00 120.52 3g5u n LEU 853 Ca 0.00 0.18 -0.02 0.00 -0.01 0.00 0.00 56.01 56.16 3g5u n LEU 853 Cb 0.34 0.68 -0.01 0.00 -0.11 0.00 0.00 43.42 44.31 3g5u n LEU 853 CO 0.00 -0.45 0.08 0.41 -1.51 0.00 0.00 177.39 175.92 3g5u n THR 854 N -2.75 -0.10 -0.07 -5.08 -1.04 -1.26 1.06 114.28 105.04 3g5u n THR 854 Ca 0.00 0.37 -0.15 0.00 -2.04 0.00 0.00 64.05 62.23 3g5u n THR 854 Cb 0.00 -0.46 -0.05 0.00 -1.82 0.00 0.00 70.33 68.00 3g5u n THR 854 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3g5u h LEU 855 N 0.00 0.81 -1.17 -4.42 5.85 -1.92 -1.79 115.31 112.67 3g5u h LEU 855 Ca 0.02 -0.53 0.36 0.00 0.84 0.00 0.00 57.88 58.57 3g5u h LEU 855 Cb 0.06 -0.23 -0.14 0.00 0.37 0.00 0.00 40.66 40.72 3g5u h LEU 855 CO -0.14 1.19 0.67 0.25 -0.34 0.00 0.00 178.44 180.07 3g5u h LEU 856 N 0.46 0.40 0.00 2.25 5.85 5.94 -3.08 115.31 127.12 3g5u h LEU 856 Ca 0.01 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3g5u h LEU 856 Cb 1.04 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3g5u h LEU 856 CO 0.10 -0.17 -0.95 -0.11 -0.34 0.00 0.00 178.44 176.98 3g5u n LEU 857 N -4.92 1.90 -0.46 2.25 0.00 0.62 -4.14 117.00 112.25 3g5u n LEU 857 Ca 0.34 0.43 0.41 0.00 0.00 0.00 0.00 56.01 57.18 3g5u n LEU 857 Cb 1.16 -0.79 0.65 0.00 0.00 0.00 0.00 43.42 44.43 3g5u n LEU 857 CO 0.14 -0.27 1.38 0.17 0.00 0.00 0.00 177.39 178.81 3g5u h LEU 858 N -1.00 0.00 0.12 -1.96 8.10 -1.24 8.08 115.31 127.41 3g5u h LEU 858 Ca -0.05 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.93 3g5u h LEU 858 Cb 0.89 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.11 3g5u h LEU 858 CO -0.03 0.00 -0.06 0.00 -4.11 0.00 0.00 178.44 174.24 3g5u h ALA 859 N 0.81 -0.16 0.51 0.17 0.00 -1.73 -2.80 119.26 116.06 3g5u h ALA 859 Ca 0.71 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 3g5u h ALA 859 Cb 3.30 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 21.14 3g5u h ALA 859 CO -0.01 -0.40 -0.45 0.82 0.00 0.00 0.00 179.25 179.21 3g5u h ILE 860 N -0.54 0.10 -0.16 0.00 1.08 1.70 -2.43 117.51 117.27 3g5u h ILE 860 Ca -0.02 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 3g5u h ILE 860 Cb 0.43 0.10 -0.07 0.00 -3.07 0.00 0.00 36.82 34.22 3g5u h ILE 860 CO 0.03 0.00 -0.53 0.58 -0.69 0.00 0.00 178.15 177.54 3g5u h VAL 861 N -0.95 0.02 -0.79 1.67 2.07 -1.39 0.17 116.25 117.05 3g5u h VAL 861 Ca -0.06 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.65 3g5u h VAL 861 Cb 0.82 0.02 -0.12 0.00 -1.52 0.00 0.00 31.29 30.48 3g5u h VAL 861 CO -0.03 0.00 0.16 -0.65 0.02 0.00 0.00 177.57 177.07 3g5u h PRO 862 N -0.56 0.21 0.01 1.57 0.11 -1.40 0.87 132.00 132.81 3g5u h PRO 862 Ca 0.04 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 3g5u h PRO 862 Cb 0.67 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3g5u h PRO 862 CO -0.45 0.14 -0.00 0.82 -0.21 0.00 0.00 178.00 178.30 3g5u h ILE 863 N 0.21 1.13 -0.66 4.15 5.03 -0.72 0.31 117.51 126.96 3g5u h ILE 863 Ca 0.46 -0.40 -0.07 0.00 -0.12 0.00 0.00 64.86 64.72 3g5u h ILE 863 Cb 0.84 1.40 -0.03 0.00 -3.03 0.00 0.00 36.82 36.00 3g5u h ILE 863 CO -0.59 0.10 0.12 0.16 -0.68 0.00 0.00 178.15 177.26 3g5u h ILE 864 N -0.18 1.26 0.39 -0.67 3.07 -0.24 -0.55 117.51 120.59 3g5u h ILE 864 Ca -0.00 -1.01 -0.01 0.00 1.55 0.00 0.00 64.86 65.39 3g5u h ILE 864 Cb 0.18 0.63 -0.02 0.00 -0.27 0.00 0.00 36.82 37.34 3g5u h ILE 864 CO 0.00 0.38 -0.36 0.00 -1.05 0.00 0.00 178.15 177.13 3g5u h ALA 865 N 1.05 -0.79 -1.32 0.16 0.00 0.91 -0.06 119.26 119.21 3g5u h ALA 865 Ca 0.20 -0.13 0.39 0.00 0.00 0.00 0.00 54.91 55.38 3g5u h ALA 865 Cb 0.42 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 3g5u h ALA 865 CO 0.01 -0.98 0.90 0.82 0.00 0.00 0.00 179.25 180.00 3g5u h ILE 866 N -0.76 0.27 0.53 0.00 2.04 -0.09 0.43 117.51 119.93 3g5u h ILE 866 Ca -0.03 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 3g5u h ILE 866 Cb 0.67 0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3g5u h ILE 866 CO -0.05 0.02 -0.26 0.00 0.00 0.00 0.00 178.15 177.87 3g5u h ALA 867 N 1.47 -0.88 -0.45 1.87 0.00 0.62 -1.00 119.26 120.88 3g5u h ALA 867 Ca 0.72 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.54 3g5u h ALA 867 Cb 2.43 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 20.43 3g5u h ALA 867 CO -0.23 -0.83 -0.21 0.41 0.00 0.00 0.00 179.25 178.39 3g5u n GLY 868 N -0.48 -1.01 0.00 0.00 0.00 0.15 -0.86 105.19 102.99 3g5u n GLY 868 Ca -0.09 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3g5u n GLY 868 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3g5u n VAL 869 N -4.63 0.00 -0.33 1.61 0.31 -0.93 -2.18 118.33 112.17 3g5u n VAL 869 Ca 0.03 1.37 0.16 0.00 -0.01 0.00 0.00 64.34 65.89 3g5u n VAL 869 Cb 0.16 -2.36 0.32 0.00 -0.91 0.00 0.00 33.84 31.04 3g5u n VAL 869 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 3g5u h VAL 870 N 0.00 0.07 0.47 2.52 3.04 0.26 -0.80 116.25 121.81 3g5u h VAL 870 Ca 0.00 -0.01 -0.02 0.00 -1.01 0.00 0.00 66.70 65.66 3g5u h VAL 870 Cb 0.00 0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 29.31 3g5u h VAL 870 CO 0.00 0.01 -0.28 -0.08 -1.01 0.00 0.00 177.57 176.21 3g5u h GLU 871 N 0.04 -0.67 -0.96 4.17 4.81 -1.03 -1.79 114.58 119.15 3g5u h GLU 871 Ca 0.61 0.05 0.25 0.00 -0.13 0.00 0.00 59.36 60.14 3g5u h GLU 871 Cb 1.30 0.15 -0.13 0.00 0.63 0.00 0.00 28.75 30.70 3g5u h GLU 871 CO -0.86 -0.45 0.50 1.98 -0.73 0.00 0.00 179.01 179.45 3g5u h MET 872 N -0.70 0.44 0.27 1.92 4.05 -0.83 -1.40 114.93 118.68 3g5u h MET 872 Ca -0.06 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 3g5u h MET 872 Cb 0.55 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 3g5u h MET 872 CO 0.07 0.29 -0.32 -0.22 0.23 0.00 0.00 176.91 176.96 3g5u h LYS 873 N 0.45 -0.58 -0.92 0.39 1.63 -0.78 -1.17 116.57 115.60 3g5u h LYS 873 Ca 0.63 0.04 0.09 0.00 -0.85 0.00 0.00 60.65 60.56 3g5u h LYS 873 Cb 1.25 0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 32.95 3g5u h LYS 873 CO -0.53 -0.39 0.59 1.98 -3.45 0.00 0.00 179.45 177.66 3g5u h MET 874 N -0.60 0.93 -0.94 1.90 4.05 -0.85 0.61 114.93 120.03 3g5u h MET 874 Ca -0.03 -0.06 0.10 0.00 -0.28 0.00 0.00 59.70 59.43 3g5u h MET 874 Cb 0.54 -0.21 -0.07 0.00 -0.80 0.00 0.00 31.60 31.06 3g5u h MET 874 CO -0.07 0.61 0.60 1.25 0.23 0.00 0.00 176.91 179.54 3g5u h LEU 875 N 0.96 0.88 0.07 3.39 6.46 -0.91 -1.74 115.31 124.41 3g5u h LEU 875 Ca 0.42 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 58.20 3g5u h LEU 875 Cb 0.35 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 3g5u h LEU 875 CO -0.18 0.51 -0.03 0.28 -0.62 0.00 0.00 178.44 178.40 3g5u h SER 876 N 0.97 -0.08 -0.55 1.25 0.02 0.35 -2.26 113.55 113.25 3g5u h SER 876 Ca 0.44 -0.38 0.09 0.00 -0.84 0.00 0.00 61.79 61.10 3g5u h SER 876 Cb 0.38 0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.83 3g5u h SER 876 CO -0.19 0.35 -0.36 1.23 -1.14 0.00 0.00 176.83 176.71 3g5u h GLY 877 N -0.52 -0.24 1.00 -3.77 0.00 -0.66 0.11 103.07 98.99 3g5u h GLY 877 Ca -0.01 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.79 3g5u h GLY 877 CO 0.02 -0.19 0.38 1.46 0.00 0.00 0.00 176.54 178.20 3g5u h GLN 878 N -0.20 0.77 -0.01 4.80 1.08 -1.39 -1.16 115.11 118.99 3g5u h GLN 878 Ca 0.20 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.38 3g5u h GLN 878 Cb 0.56 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.77 3g5u h GLN 878 CO -0.65 0.52 -0.22 0.00 -0.95 0.00 0.00 178.83 177.53 3g5u h ALA 879 N 1.21 -0.27 0.28 3.87 0.00 -0.26 -1.93 119.26 122.16 3g5u h ALA 879 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3g5u h ALA 879 Cb -0.08 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3g5u h ALA 879 CO -0.04 -0.71 -0.14 1.25 0.00 0.00 0.00 179.25 179.61 3g5u h LEU 880 N -0.34 -0.32 -0.71 0.00 5.85 -0.76 -2.11 115.31 116.91 3g5u h LEU 880 Ca 0.06 -0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.83 3g5u h LEU 880 Cb 0.42 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.43 3g5u h LEU 880 CO -0.21 -0.09 0.13 0.07 -0.34 0.00 0.00 178.44 178.00 3g5u h LYS 881 N -0.55 0.22 -0.50 1.25 2.10 -1.14 0.47 116.57 118.42 3g5u h LYS 881 Ca -0.04 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.61 3g5u h LYS 881 Cb 0.40 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.66 3g5u h LYS 881 CO 0.06 0.15 0.33 0.22 -2.00 0.00 0.00 179.45 178.21 3g5u h ASP 882 N 0.23 0.56 -0.96 7.07 3.58 -1.28 0.37 116.42 125.98 3g5u h ASP 882 Ca 0.39 -0.01 0.28 0.00 0.42 0.00 0.00 57.03 58.11 3g5u h ASP 882 Cb 0.66 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.54 3g5u h ASP 882 CO -0.52 0.40 0.74 0.11 -2.88 0.00 0.00 179.24 177.10 3g5u h LYS 883 N 0.66 0.00 0.14 0.28 1.79 0.61 -1.41 116.57 118.65 3g5u h LYS 883 Ca 0.19 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 3g5u h LYS 883 Cb -0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 3g5u h LYS 883 CO -0.05 0.00 -0.07 0.87 -1.08 0.00 0.00 179.45 179.12 3g5u h LYS 884 N 0.00 -0.19 -0.72 3.15 1.79 0.84 -1.61 116.57 119.83 3g5u h LYS 884 Ca 0.46 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 59.05 3g5u h LYS 884 Cb 1.94 0.04 -0.12 0.00 -1.58 0.00 0.00 32.23 32.51 3g5u h LYS 884 CO -0.00 -0.12 -0.39 0.93 -1.08 0.00 0.00 179.45 178.78 3g5u h GLU 885 N -0.44 -0.12 -0.71 3.15 5.08 -0.64 1.04 114.58 121.94 3g5u h GLU 885 Ca -0.02 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.47 3g5u h GLU 885 Cb 0.15 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 3g5u h GLU 885 CO 0.03 -0.08 0.48 1.37 -1.00 0.00 0.00 179.01 179.80 3g5u h LEU 886 N -0.13 0.43 -0.98 1.33 8.10 -1.42 0.98 115.31 123.62 3g5u h LEU 886 Ca 0.25 0.02 -0.00 0.00 0.11 0.00 0.00 57.88 58.25 3g5u h LEU 886 Cb 0.56 -0.07 -0.05 0.00 -0.44 0.00 0.00 40.66 40.67 3g5u h LEU 886 CO -0.78 0.24 0.58 1.05 -4.11 0.00 0.00 178.44 175.42 3g5u h GLU 887 N 0.47 1.28 0.54 0.17 4.11 0.21 0.46 114.58 121.82 3g5u h GLU 887 Ca 0.34 -0.11 -0.02 0.00 0.07 0.00 0.00 59.36 59.64 3g5u h GLU 887 Cb 0.69 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3g5u h GLU 887 CO -0.11 0.89 -0.31 0.78 0.07 0.00 0.00 179.01 180.32 3g5u h GLY 888 N 1.30 -0.85 0.00 1.06 0.00 0.09 -0.35 103.07 104.33 3g5u h GLY 888 Ca 0.34 0.34 0.00 0.00 0.00 0.00 0.00 47.33 48.01 3g5u h GLY 888 CO -0.07 -0.31 0.00 1.44 0.00 0.00 0.00 176.54 177.61 3g5u n SER 889 N -5.45 0.00 -0.35 0.19 7.64 -0.78 -2.19 113.62 112.68 3g5u n SER 889 Ca -0.12 0.78 0.31 0.00 1.01 0.00 0.00 58.87 60.85 3g5u n SER 889 Cb 0.34 -0.28 0.57 0.00 -1.01 0.00 0.00 64.21 63.83 3g5u n SER 889 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3g5u h GLY 890 N 0.00 2.04 0.71 0.23 0.00 -0.18 0.36 103.07 106.23 3g5u h GLY 890 Ca 0.00 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.21 3g5u h GLY 890 CO 0.00 -0.65 0.24 0.50 0.00 0.00 0.00 176.54 176.63 3g5u h LYS 891 N 0.10 0.45 0.00 4.80 1.57 -0.83 -1.50 116.57 121.17 3g5u h LYS 891 Ca 0.82 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 59.48 3g5u h LYS 891 Cb 2.16 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 34.36 3g5u h LYS 891 CO -0.66 0.30 -0.42 -0.84 -0.57 0.00 0.00 179.45 177.26 3g5u h ILE 892 N 0.47 0.80 0.00 1.86 3.07 0.18 -2.37 117.51 121.51 3g5u h ILE 892 Ca 0.22 -1.85 -0.03 0.00 1.55 0.00 0.00 64.86 64.75 3g5u h ILE 892 Cb 0.14 2.19 -0.00 0.00 -0.27 0.00 0.00 36.82 38.88 3g5u h ILE 892 CO -0.16 0.41 -0.15 0.00 -1.05 0.00 0.00 178.15 177.20 3g5u h ALA 893 N 1.58 1.01 0.18 0.16 0.00 -0.66 -1.95 119.26 119.59 3g5u h ALA 893 Ca -0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.49 3g5u h ALA 893 Cb 1.16 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.95 3g5u h ALA 893 CO 0.05 0.19 -1.27 1.15 0.00 0.00 0.00 179.25 179.37 3g5u h THR 894 N 0.00 1.27 -0.90 0.00 2.02 -1.18 -2.39 112.91 111.74 3g5u h THR 894 Ca -0.00 -2.56 0.14 0.00 0.77 0.00 0.00 66.41 64.76 3g5u h THR 894 Cb 0.69 3.01 -0.15 0.00 -1.74 0.00 0.00 68.15 69.96 3g5u h THR 894 CO 0.02 0.76 -0.37 -0.08 0.37 0.00 0.00 175.52 176.23 3g5u h GLU 895 N -0.13 -0.04 0.38 6.66 4.81 -0.83 0.77 114.58 126.21 3g5u h GLU 895 Ca -0.24 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 3g5u h GLU 895 Cb 1.90 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.29 3g5u h GLU 895 CO 0.18 -0.03 -0.18 0.00 -0.73 0.00 0.00 179.01 178.25 3g5u h ALA 896 N 1.32 -0.81 -0.90 2.92 0.00 -1.48 -1.72 119.26 118.59 3g5u h ALA 896 Ca 0.33 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.28 3g5u h ALA 896 Cb 0.59 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 3g5u h ALA 896 CO -0.91 -0.77 0.49 -0.84 0.00 0.00 0.00 179.25 177.22 3g5u h ILE 897 N -0.70 0.73 0.00 0.00 -0.00 -1.20 1.67 117.51 118.01 3g5u h ILE 897 Ca -0.05 -0.23 0.00 0.00 -0.00 0.00 0.00 64.86 64.58 3g5u h ILE 897 Cb 0.39 -0.00 0.00 0.00 -0.00 0.00 0.00 36.82 37.21 3g5u h ILE 897 CO 0.09 0.12 0.00 -0.08 -0.00 0.00 0.00 178.15 178.28 3g5u h GLU 898 N 0.68 0.00 -0.15 0.16 4.81 0.55 -3.08 114.58 117.54 3g5u h GLU 898 Ca 0.49 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.64 3g5u h GLU 898 Cb 0.71 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.04 3g5u h GLU 898 CO -0.36 0.00 -0.36 0.09 -0.73 0.00 0.00 179.01 177.64 3g5u n ASN 899 N -2.50 2.08 0.00 1.04 3.02 0.56 -4.93 115.26 114.53 3g5u n ASN 899 Ca 0.00 -3.87 0.00 0.00 -0.03 0.00 0.00 54.58 50.69 3g5u n ASN 899 Cb 0.18 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 3g5u n ASN 899 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 3g5u n PHE 900 N -1.11 0.00 0.00 3.10 1.16 -0.88 -2.99 117.46 116.73 3g5u n PHE 900 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.83 3g5u n PHE 900 Cb 0.82 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.69 3g5u n PHE 900 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3g5u n ARG 901 N -1.02 0.00 -0.00 3.97 3.00 -1.26 -0.22 116.66 121.12 3g5u n ARG 901 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3g5u n ARG 901 Cb 0.00 -1.48 -0.00 0.00 0.00 0.00 0.00 32.46 30.98 3g5u n ARG 901 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 3g5u n THR 902 N 1.36 0.02 0.25 0.55 5.66 -1.16 -4.55 114.28 116.41 3g5u n THR 902 Ca 0.00 -0.01 0.12 0.00 -3.05 0.00 0.00 64.05 61.12 3g5u n THR 902 Cb 0.00 -1.48 0.66 0.00 -1.55 0.00 0.00 70.33 67.96 3g5u n THR 902 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 3g5u h VAL 903 N -0.01 0.00 -0.77 1.08 3.04 -0.92 1.13 116.25 119.80 3g5u h VAL 903 Ca -0.01 0.00 0.16 0.00 -1.01 0.00 0.00 66.70 65.84 3g5u h VAL 903 Cb 1.01 0.54 -0.10 0.00 -2.01 0.00 0.00 31.29 30.73 3g5u h VAL 903 CO -0.01 0.00 0.28 1.62 -1.01 0.00 0.00 177.57 178.46 3g5u h VAL 904 N 0.00 0.59 0.00 1.51 3.04 -1.80 -3.07 116.25 116.52 3g5u h VAL 904 Ca 0.00 -0.14 -0.14 0.00 -1.01 0.00 0.00 66.70 65.42 3g5u h VAL 904 Cb 0.48 0.17 -0.03 0.00 -2.01 0.00 0.00 31.29 29.90 3g5u h VAL 904 CO 0.00 0.07 -1.57 -1.54 -1.01 0.00 0.00 177.57 173.52 3g5u n SER 905 N -5.05 2.88 0.00 3.17 3.41 0.31 -4.89 113.62 113.45 3g5u n SER 905 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 3g5u n SER 905 Cb 0.46 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 3g5u n SER 905 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3g5u n LEU 906 N -2.26 0.82 -3.28 1.04 0.00 0.29 -4.75 117.00 108.87 3g5u n LEU 906 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 56.01 55.50 3g5u n LEU 906 Cb 0.72 -1.56 -0.03 0.00 0.00 0.00 0.00 43.42 42.55 3g5u n LEU 906 CO 0.18 -0.56 3.30 0.35 0.00 0.00 0.00 177.39 180.67 3g5u n THR 907 N -1.54 4.34 0.00 1.96 -2.24 -1.26 -3.00 114.28 112.53 3g5u n THR 907 Ca 0.00 -2.65 0.00 0.00 -2.27 0.00 0.00 64.05 59.13 3g5u n THR 907 Cb 0.15 -2.57 0.00 0.00 -2.10 0.00 0.00 70.33 65.81 3g5u n THR 907 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3g5u n ARG 908 N 3.43 0.00 0.00 -0.78 0.00 -1.26 -4.76 116.66 113.29 3g5u n ARG 908 Ca 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.62 3g5u n ARG 908 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.71 3g5u n ARG 908 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3g5u n GLU 909 N -1.02 0.00 0.21 2.89 4.71 -1.16 0.33 120.64 126.60 3g5u n GLU 909 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.00 3g5u n GLU 909 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 30.35 3g5u n GLU 909 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 3g5u h GLN 910 N 0.00 -0.70 -0.33 3.49 5.75 -1.98 0.39 115.11 121.73 3g5u h GLN 910 Ca 0.00 0.05 0.09 0.00 -0.15 0.00 0.00 58.65 58.64 3g5u h GLN 910 Cb 0.00 0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.65 3g5u h GLN 910 CO 0.00 -0.47 0.01 1.17 -2.65 0.00 0.00 178.83 176.89 3g5u n LYS 911 N -5.46 -0.03 0.00 1.69 0.00 0.63 0.21 118.16 115.20 3g5u n LYS 911 Ca -0.09 0.50 0.00 0.00 0.00 0.00 0.00 58.31 58.72 3g5u n LYS 911 Cb 0.37 -0.79 0.00 0.00 0.00 0.00 0.00 35.03 34.60 3g5u n LYS 911 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3g5u n PHE 912 N -4.27 0.00 0.26 5.64 -0.00 1.00 -1.46 117.46 118.63 3g5u n PHE 912 Ca 0.08 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.59 3g5u n PHE 912 Cb 0.26 0.00 0.21 0.00 -0.00 0.00 0.00 39.48 39.95 3g5u n PHE 912 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 3g5u h GLU 913 N 0.00 0.00 0.36 -4.13 4.39 -0.34 1.48 114.58 116.35 3g5u h GLU 913 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3g5u h GLU 913 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3g5u h GLU 913 CO 0.00 0.00 -0.17 1.15 -1.16 0.00 0.00 179.01 178.83 3g5u h THR 914 N 0.00 0.64 -0.96 1.13 2.02 0.25 0.16 112.91 116.15 3g5u h THR 914 Ca 0.06 -0.41 0.22 0.00 0.77 0.00 0.00 66.41 67.05 3g5u h THR 914 Cb 1.84 0.84 -0.08 0.00 -1.74 0.00 0.00 68.15 69.01 3g5u h THR 914 CO -0.00 0.08 0.63 0.24 0.37 0.00 0.00 175.52 176.83 3g5u h MET 915 N -0.72 0.42 0.00 6.66 2.86 0.32 1.28 114.93 125.74 3g5u h MET 915 Ca -0.05 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3g5u h MET 915 Cb 0.50 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 3g5u h MET 915 CO 0.08 0.27 -0.08 1.88 1.06 0.00 0.00 176.91 180.13 3g5u h TYR 916 N 0.43 0.00 -0.28 -0.22 0.05 -0.90 -1.58 116.97 114.47 3g5u h TYR 916 Ca 0.52 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 59.23 3g5u h TYR 916 Cb 1.27 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.99 3g5u h TYR 916 CO -0.00 0.08 -0.12 0.00 -1.05 0.00 0.00 178.16 177.06 3g5u h ALA 917 N 1.92 1.28 0.47 3.88 0.00 0.45 -1.63 119.26 125.64 3g5u h ALA 917 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3g5u h ALA 917 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3g5u h ALA 917 CO 0.01 0.48 -0.23 1.96 0.00 0.00 0.00 179.25 181.47 3g5u h GLN 918 N 0.44 -0.61 -0.52 0.00 1.08 -0.42 -1.70 115.11 113.37 3g5u h GLN 918 Ca 0.08 0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.37 3g5u h GLN 918 Cb 0.47 0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 27.98 3g5u h GLN 918 CO 0.03 -0.41 -0.31 -1.13 -0.95 0.00 0.00 178.83 176.06 3g5u n SER 919 N -4.58 -0.56 -0.08 1.46 3.41 -0.91 -0.47 113.62 111.89 3g5u n SER 919 Ca -0.08 1.31 -0.02 0.00 -0.26 0.00 0.00 58.87 59.82 3g5u n SER 919 Cb 0.25 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 3g5u n SER 919 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3g5u n LEU 920 N -4.19 -0.21 -0.03 1.04 7.99 -0.62 -1.16 117.00 119.82 3g5u n LEU 920 Ca 0.01 1.10 -0.01 0.00 -0.01 0.00 0.00 56.01 57.11 3g5u n LEU 920 Cb 0.14 -0.42 -0.01 0.00 -0.11 0.00 0.00 43.42 43.02 3g5u n LEU 920 CO -0.08 -0.67 0.03 1.67 -1.51 0.00 0.00 177.39 176.83 3g5u n GLN 921 N -3.42 -0.03 0.45 3.23 7.27 0.38 0.13 117.38 125.38 3g5u n GLN 921 Ca 0.00 0.10 -0.19 0.00 0.07 0.00 0.00 57.00 56.98 3g5u n GLN 921 Cb 0.05 -0.14 -0.09 0.00 2.41 0.00 0.00 30.24 32.47 3g5u n GLN 921 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 3g5u h ILE 922 N 0.00 0.13 0.00 1.69 1.08 -0.74 -1.18 117.51 118.48 3g5u h ILE 922 Ca 0.01 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3g5u h ILE 922 Cb 0.03 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 33.92 3g5u h ILE 922 CO -0.06 0.00 0.09 -2.65 -0.69 0.00 0.00 178.15 174.85 3g5u n PRO 923 N -5.56 0.04 -0.04 2.37 -0.02 0.36 -1.86 135.00 130.29 3g5u n PRO 923 Ca -0.15 0.49 -0.11 0.00 -2.02 0.00 0.00 63.50 61.71 3g5u n PRO 923 Cb 0.45 -1.73 -0.09 0.00 -0.02 0.00 0.00 33.50 32.11 3g5u n PRO 923 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3g5u h TYR 924 N 0.00 -0.03 -0.07 6.00 -0.00 0.44 -2.20 116.97 121.11 3g5u h TYR 924 Ca 0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 58.73 58.75 3g5u h TYR 924 Cb 0.18 0.01 -0.03 0.00 -0.00 0.00 0.00 36.73 36.90 3g5u h TYR 924 CO 0.00 0.64 -0.09 0.00 -0.00 0.00 0.00 178.16 178.70 3g5u h ARG 925 N -0.94 -0.12 -0.98 1.82 3.08 -0.70 -0.12 114.38 116.42 3g5u h ARG 925 Ca -0.00 0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.29 3g5u h ARG 925 Cb 0.69 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.69 3g5u h ARG 925 CO 0.01 -0.08 0.64 -0.97 -1.07 0.00 0.00 179.97 178.50 3g5u h ASN 926 N -0.13 0.41 -0.07 7.04 -0.73 -1.52 -0.65 115.58 119.93 3g5u h ASN 926 Ca 0.06 0.06 -0.01 0.00 1.87 0.00 0.00 56.30 58.28 3g5u h ASN 926 Cb 0.21 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 38.78 3g5u h ASN 926 CO -0.14 0.12 0.02 0.00 -0.37 0.00 0.00 177.43 177.06 3g5u h ALA 927 N 1.60 0.10 -0.55 1.57 0.00 -0.37 -1.96 119.26 119.65 3g5u h ALA 927 Ca 0.53 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.43 3g5u h ALA 927 Cb 1.37 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.05 3g5u h ALA 927 CO -0.22 -0.29 0.06 0.52 0.00 0.00 0.00 179.25 179.31 3g5u h MET 928 N -0.07 0.17 0.11 0.00 2.86 -0.42 -0.70 114.93 116.88 3g5u h MET 928 Ca 0.02 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3g5u h MET 928 Cb 0.21 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 3g5u h MET 928 CO -0.00 0.12 -0.10 -0.22 1.06 0.00 0.00 176.91 177.76 3g5u h LYS 929 N 0.18 -0.20 -0.56 1.72 3.64 -1.34 -1.60 116.57 118.41 3g5u h LYS 929 Ca 0.29 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.84 3g5u h LYS 929 Cb 0.43 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 3g5u h LYS 929 CO -0.42 -0.13 0.88 1.57 -2.27 0.00 0.00 179.45 179.08 3g5u h LYS 930 N -0.21 0.00 0.36 1.90 2.10 -0.97 1.07 116.57 120.82 3g5u h LYS 930 Ca -0.01 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 3g5u h LYS 930 Cb 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 3g5u h LYS 930 CO -0.01 0.00 -0.17 0.00 -2.00 0.00 0.00 179.45 177.27 3g5u h ALA 931 N 0.76 -1.09 -0.89 0.07 0.00 -0.16 -1.40 119.26 116.54 3g5u h ALA 931 Ca 0.27 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.20 3g5u h ALA 931 Cb 2.03 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 19.87 3g5u h ALA 931 CO -0.00 -1.06 -0.41 1.25 0.00 0.00 0.00 179.25 179.03 3g5u h HIS 932 N -0.49 -1.19 -0.69 0.00 -0.00 0.16 0.10 115.15 113.04 3g5u h HIS 932 Ca -0.05 0.10 0.11 0.00 -0.00 0.00 0.00 60.37 60.54 3g5u h HIS 932 Cb 0.37 0.65 -0.12 0.00 -0.00 0.00 0.00 27.41 28.30 3g5u h HIS 932 CO 0.14 -0.40 -0.36 0.28 -0.00 0.00 0.00 177.93 177.59 3g5u h VAL 933 N -0.05 0.12 -1.01 5.26 2.07 -0.97 0.41 116.25 122.07 3g5u h VAL 933 Ca 0.29 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.97 3g5u h VAL 933 Cb 0.56 0.12 -0.10 0.00 -1.52 0.00 0.00 31.29 30.35 3g5u h VAL 933 CO -0.90 0.00 0.62 -0.26 0.02 0.00 0.00 177.57 177.05 3g5u h PHE 934 N -0.13 1.10 0.00 1.57 -1.00 0.32 -0.99 116.94 117.81 3g5u h PHE 934 Ca 0.25 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.07 3g5u h PHE 934 Cb 0.56 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.78 3g5u h PHE 934 CO -0.71 0.32 0.00 0.41 -1.61 0.00 0.00 178.31 176.72 3g5u n GLY 935 N -1.33 -2.58 0.38 -1.45 0.00 0.06 -1.75 105.19 98.51 3g5u n GLY 935 Ca 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 3g5u n GLY 935 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3g5u n ILE 936 N -1.64 -0.53 0.00 -0.61 3.06 -0.78 -1.53 119.36 117.33 3g5u n ILE 936 Ca 0.00 2.29 0.00 0.00 -2.50 0.00 0.00 62.75 62.54 3g5u n ILE 936 Cb 0.00 -3.01 0.00 0.00 0.54 0.00 0.00 39.64 37.17 3g5u n ILE 936 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 3g5u n THR 937 N -5.42 0.00 -0.27 9.51 -2.24 -0.41 -1.40 114.28 114.06 3g5u n THR 937 Ca 0.09 1.23 -0.05 0.00 -2.27 0.00 0.00 64.05 63.05 3g5u n THR 937 Cb 0.38 -1.94 -0.04 0.00 -2.10 0.00 0.00 70.33 66.63 3g5u n THR 937 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3g5u n PHE 938 N -1.60 -0.20 0.00 4.78 -0.00 -0.63 -1.36 117.46 118.45 3g5u n PHE 938 Ca 0.00 0.81 0.00 0.00 -0.00 0.00 0.00 57.45 58.26 3g5u n PHE 938 Cb 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 39.48 38.87 3g5u n PHE 938 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3g5u n SER 939 N -4.85 0.00 -0.40 -2.13 3.41 -0.58 -0.44 113.62 108.62 3g5u n SER 939 Ca 0.03 0.87 0.32 0.00 -0.26 0.00 0.00 58.87 59.83 3g5u n SER 939 Cb 0.20 -0.37 0.52 0.00 -0.26 0.00 0.00 64.21 64.30 3g5u n SER 939 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3g5u n PHE 940 N -2.19 0.30 -0.09 7.33 -0.00 -0.47 0.33 117.46 122.67 3g5u n PHE 940 Ca 0.00 0.30 -0.13 0.00 -0.00 0.00 0.00 57.45 57.62 3g5u n PHE 940 Cb 0.00 -0.68 -0.04 0.00 -0.00 0.00 0.00 39.48 38.76 3g5u n PHE 940 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 3g5u h THR 941 N 0.00 1.30 -0.09 -2.13 2.02 -0.07 -1.82 112.91 112.13 3g5u h THR 941 Ca 0.64 -1.34 -0.12 0.00 0.77 0.00 0.00 66.41 66.36 3g5u h THR 941 Cb 2.28 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 70.25 3g5u h THR 941 CO -0.20 0.42 -0.49 1.56 0.37 0.00 0.00 175.52 177.19 3g5u h GLN 942 N 0.35 0.22 -0.18 6.66 1.08 0.59 -2.23 115.11 121.61 3g5u h GLN 942 Ca 0.05 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3g5u h GLN 942 Cb 0.75 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.17 3g5u h GLN 942 CO 0.05 0.66 0.11 0.00 -0.95 0.00 0.00 178.83 178.71 3g5u h ALA 943 N 1.32 0.23 -1.00 3.87 0.00 -1.15 1.07 119.26 123.60 3g5u h ALA 943 Ca 0.01 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.15 3g5u h ALA 943 Cb 0.93 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 3g5u h ALA 943 CO 0.07 -0.30 0.60 0.52 0.00 0.00 0.00 179.25 180.14 3g5u h MET 944 N 0.23 0.57 0.00 0.00 2.86 -0.90 -0.74 114.93 116.96 3g5u h MET 944 Ca 0.07 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3g5u h MET 944 Cb -0.02 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.51 3g5u h MET 944 CO -0.02 0.38 0.00 -0.12 1.06 0.00 0.00 176.91 178.21 3g5u n MET 945 N -4.88 0.00 0.10 1.72 0.00 0.37 -0.30 117.12 114.13 3g5u n MET 945 Ca 0.27 0.86 -0.12 0.00 0.00 0.00 0.00 57.70 58.71 3g5u n MET 945 Cb 0.74 -1.42 -0.06 0.00 0.00 0.00 0.00 33.22 32.49 3g5u n MET 945 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 175.97 176.07 3g5u h TYR 946 N 0.00 -0.51 -0.66 1.12 -0.00 -0.95 -2.14 116.97 113.82 3g5u h TYR 946 Ca 0.00 0.01 0.06 0.00 -0.00 0.00 0.00 58.73 58.80 3g5u h TYR 946 Cb 0.00 0.21 -0.08 0.00 -0.00 0.00 0.00 36.73 36.86 3g5u h TYR 946 CO -0.68 -0.28 -0.44 0.74 -0.00 0.00 0.00 178.16 177.49 3g5u h PHE 947 N -0.37 -1.41 0.00 0.10 -1.00 -0.90 -0.80 116.94 112.56 3g5u h PHE 947 Ca 0.03 0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.90 3g5u h PHE 947 Cb 0.39 0.70 0.00 0.00 3.61 0.00 0.00 35.95 40.65 3g5u h PHE 947 CO -0.19 -0.30 0.00 0.43 -1.61 0.00 0.00 178.31 176.64 3g5u n SER 948 N -4.71 0.00 0.00 2.17 7.64 0.59 -1.67 113.62 117.64 3g5u n SER 948 Ca 0.01 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.45 3g5u n SER 948 Cb 0.21 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 3g5u n SER 948 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3g5u n TYR 949 N -1.18 0.00 0.00 1.43 4.02 -0.83 -1.58 117.16 119.02 3g5u n TYR 949 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3g5u n TYR 949 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.00 3g5u n TYR 949 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3g5u n ALA 950 N -2.40 0.00 -0.33 -0.72 0.00 -0.34 -0.37 120.51 116.34 3g5u n ALA 950 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3g5u n ALA 950 Cb 0.00 0.30 0.08 0.00 0.00 0.00 0.00 19.45 19.83 3g5u n ALA 950 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g5u h ALA 951 N -0.99 0.37 -2.29 0.00 0.00 -1.16 0.60 119.26 115.80 3g5u h ALA 951 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3g5u h ALA 951 Cb 0.00 0.82 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3g5u h ALA 951 CO 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 179.25 178.74 3g5u n ALA 952 N -3.45 -0.04 -0.34 0.00 0.00 0.50 -0.27 120.51 116.90 3g5u n ALA 952 Ca 0.12 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.75 3g5u n ALA 952 Cb 0.43 0.19 0.42 0.00 0.00 0.00 0.00 19.45 20.50 3g5u n ALA 952 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3g5u h PHE 953 N 0.00 0.92 0.23 0.00 0.04 -0.87 0.12 116.94 117.38 3g5u h PHE 953 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3g5u h PHE 953 Cb 0.00 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.89 3g5u h PHE 953 CO -0.12 0.04 -0.11 -0.09 -0.60 0.00 0.00 178.31 177.44 3g5u h ARG 954 N 0.51 -0.30 -0.56 1.51 1.12 -0.62 -1.85 114.38 114.20 3g5u h ARG 954 Ca 0.64 0.02 0.11 0.00 -1.11 0.00 0.00 59.98 59.64 3g5u h ARG 954 Cb 1.34 0.07 -0.11 0.00 -0.01 0.00 0.00 29.97 31.26 3g5u h ARG 954 CO -0.44 -0.20 -0.24 0.35 -3.11 0.00 0.00 179.97 176.33 3g5u h PHE 955 N -0.32 -0.61 0.00 2.20 -0.00 -0.02 -1.64 116.94 116.56 3g5u h PHE 955 Ca -0.03 0.06 0.00 0.00 -0.00 0.00 0.00 57.97 58.00 3g5u h PHE 955 Cb 0.24 0.35 0.00 0.00 -0.00 0.00 0.00 35.95 36.54 3g5u h PHE 955 CO 0.17 -0.32 0.00 0.41 -0.00 0.00 0.00 178.31 178.57 3g5u n GLY 956 N -1.43 -2.93 0.23 2.40 0.00 0.36 -0.57 105.19 103.26 3g5u n GLY 956 Ca 0.05 0.39 0.22 0.00 0.00 0.00 0.00 46.02 46.69 3g5u n GLY 956 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5u n ALA 957 N -2.52 0.73 0.00 4.61 0.00 -0.70 -4.65 120.51 117.98 3g5u n ALA 957 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 53.44 54.13 3g5u n ALA 957 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3g5u n ALA 957 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3g5u n TYR 958 N -4.49 0.00 -2.00 0.00 9.36 0.27 -4.12 117.16 116.18 3g5u n TYR 958 Ca 0.26 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.46 3g5u n TYR 958 Cb 0.90 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.61 3g5u n TYR 958 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 3g5u n LEU 959 N 0.00 -4.29 -2.22 2.98 0.00 -1.26 -4.69 117.00 107.52 3g5u n LEU 959 Ca 0.00 0.34 -0.21 0.00 0.00 0.00 0.00 56.01 56.14 3g5u n LEU 959 Cb 0.00 -1.91 0.02 0.00 0.00 0.00 0.00 43.42 41.53 3g5u n LEU 959 CO 0.00 -1.03 0.14 1.33 0.00 0.00 0.00 177.39 177.84 3g5u n VAL 960 N -0.16 2.28 -2.67 1.96 0.24 -1.26 -4.26 118.33 114.45 3g5u n VAL 960 Ca 0.03 -4.10 -0.42 0.00 -2.04 0.00 0.00 64.34 57.81 3g5u n VAL 960 Cb 0.11 -0.75 -0.02 0.00 -1.47 0.00 0.00 33.84 31.71 3g5u n VAL 960 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3g5u s THR 961 N -4.58 4.21 0.00 3.34 2.01 -1.26 -3.86 115.64 115.50 3g5u s THR 961 Ca 0.46 -1.22 0.00 0.00 0.31 0.00 0.00 61.69 61.24 3g5u s THR 961 Cb 0.40 -5.00 0.00 0.00 0.01 0.00 0.00 72.50 67.91 3g5u s THR 961 CO -0.00 -1.83 0.00 1.67 -0.69 0.00 0.00 174.62 173.77 3g5u n GLN 962 N 8.07 0.00 -1.12 4.92 7.27 -1.24 -4.67 117.38 130.60 3g5u n GLN 962 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.40 3g5u n GLN 962 Cb 0.49 -1.22 0.00 0.00 2.41 0.00 0.00 30.24 31.93 3g5u n GLN 962 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3g5u n GLN 963 N -2.39 0.00 -4.40 3.69 6.02 -1.25 -4.86 117.38 114.19 3g5u n GLN 963 Ca 0.00 0.37 -0.30 0.00 -0.01 0.00 0.00 57.00 57.07 3g5u n GLN 963 Cb 0.00 -1.01 -0.05 0.00 1.02 0.00 0.00 30.24 30.19 3g5u n GLN 963 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3g5u s LEU 964 N -0.53 2.52 0.00 1.08 1.98 -1.26 -4.97 118.68 117.49 3g5u s LEU 964 Ca 0.00 -1.46 0.00 0.00 -2.89 0.00 0.00 54.13 49.78 3g5u s LEU 964 Cb 0.00 -0.95 0.00 0.00 0.66 0.00 0.00 46.19 45.90 3g5u s LEU 964 CO 0.00 -0.91 0.01 0.23 -1.89 0.00 0.00 176.35 173.79 3g5u n MET 965 N -1.43 0.00 -3.74 1.98 2.81 -1.26 -4.22 117.12 111.26 3g5u n MET 965 Ca -0.11 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.40 3g5u n MET 965 Cb 0.66 -1.06 -0.12 0.00 -0.71 0.00 0.00 33.22 31.99 3g5u n MET 965 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3g5u s THR 966 N -0.43 3.65 0.00 2.03 -4.23 -1.26 -5.00 115.64 110.41 3g5u s THR 966 Ca 0.00 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3g5u s THR 966 Cb 0.00 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.61 3g5u s THR 966 CO 0.00 -0.40 0.00 2.22 -0.54 0.00 0.00 174.62 175.90 3g5u n PHE 967 N 4.75 0.00 -0.28 3.99 1.16 -1.26 -4.79 117.46 121.03 3g5u n PHE 967 Ca -0.09 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.57 3g5u n PHE 967 Cb 0.43 0.00 0.20 0.00 -1.61 0.00 0.00 39.48 38.50 3g5u n PHE 967 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 3g5u h GLU 968 N 0.00 0.10 -0.94 3.97 4.22 -1.96 -3.12 114.58 116.85 3g5u h GLU 968 Ca 0.00 -0.01 0.29 0.00 0.08 0.00 0.00 59.36 59.72 3g5u h GLU 968 Cb 0.00 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 3g5u h GLU 968 CO 0.00 0.07 0.66 0.27 -2.18 0.00 0.00 179.01 177.83 3g5u n ASN 969 N -5.35 0.03 -0.06 1.04 2.04 -1.26 0.14 115.26 111.84 3g5u n ASN 969 Ca 0.17 0.58 0.25 0.00 -0.44 0.00 0.00 54.58 55.14 3g5u n ASN 969 Cb 0.56 -0.29 0.65 0.00 -2.53 0.00 0.00 39.78 38.17 3g5u n ASN 969 CO 0.00 0.00 0.00 -0.37 -0.44 0.00 0.00 177.26 176.45 3g5u h VAL 970 N 0.00 0.24 -0.02 3.53 -1.51 -1.96 1.59 116.25 118.12 3g5u h VAL 970 Ca 0.48 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.86 3g5u h VAL 970 Cb 1.83 0.40 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 3g5u h VAL 970 CO -0.08 0.00 -0.42 -0.07 -1.23 0.00 0.00 177.57 175.77 3g5u h LEU 971 N 0.00 0.05 -0.55 4.19 -0.00 0.96 0.96 115.31 120.92 3g5u h LEU 971 Ca 0.34 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 58.15 3g5u h LEU 971 Cb 1.85 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 42.49 3g5u h LEU 971 CO -0.00 0.47 -0.25 -0.07 -0.00 0.00 0.00 178.44 178.58 3g5u h LEU 972 N 0.04 0.00 -0.33 1.67 4.07 0.21 -1.86 115.31 119.12 3g5u h LEU 972 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3g5u h LEU 972 Cb 0.76 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.49 3g5u h LEU 972 CO 0.06 0.25 0.17 0.58 -1.08 0.00 0.00 178.44 178.41 3g5u h VAL 973 N 0.00 1.14 -0.93 1.22 2.07 -0.10 0.12 116.25 119.78 3g5u h VAL 973 Ca -0.00 -0.39 0.14 0.00 0.82 0.00 0.00 66.70 67.27 3g5u h VAL 973 Cb 0.99 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 31.49 3g5u h VAL 973 CO 0.03 0.15 0.59 0.15 0.02 0.00 0.00 177.57 178.51 3g5u h PHE 974 N 0.40 0.91 -0.50 1.57 3.04 -0.88 -0.04 116.94 121.44 3g5u h PHE 974 Ca 0.11 0.03 0.07 0.00 3.98 0.00 0.00 57.97 62.16 3g5u h PHE 974 Cb 0.08 -0.29 -0.06 0.00 2.56 0.00 0.00 35.95 38.25 3g5u h PHE 974 CO -0.02 0.33 0.15 0.77 -2.02 0.00 0.00 178.31 177.52 3g5u h SER 975 N 0.77 0.12 1.14 0.41 0.02 -0.17 0.18 113.55 116.01 3g5u h SER 975 Ca 0.47 0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 61.41 3g5u h SER 975 Cb 0.68 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 3g5u h SER 975 CO -0.23 0.09 -0.40 0.00 -1.14 0.00 0.00 176.83 175.15 3g5u h ALA 976 N 1.35 0.86 0.12 3.77 0.00 -0.36 -0.38 119.26 124.62 3g5u h ALA 976 Ca 0.24 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3g5u h ALA 976 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3g5u h ALA 976 CO -0.27 0.50 -0.06 0.82 0.00 0.00 0.00 179.25 180.24 3g5u h ILE 977 N 0.00 1.06 0.00 0.00 2.04 -1.19 -2.11 117.51 117.32 3g5u h ILE 977 Ca -0.00 -1.15 -0.00 0.00 1.00 0.00 0.00 64.86 64.71 3g5u h ILE 977 Cb 1.08 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.89 3g5u h ILE 977 CO 0.05 0.26 -0.00 1.62 0.00 0.00 0.00 178.15 180.08 3g5u h VAL 978 N -0.74 0.02 0.65 1.67 3.04 -0.98 -2.03 116.25 117.88 3g5u h VAL 978 Ca -0.02 -0.16 -0.03 0.00 -1.01 0.00 0.00 66.70 65.49 3g5u h VAL 978 Cb 0.54 1.15 0.01 0.00 -2.01 0.00 0.00 31.29 30.98 3g5u h VAL 978 CO 0.03 0.00 -0.31 -0.26 -1.01 0.00 0.00 177.57 176.02 3g5u h PHE 979 N 0.00 -0.80 -0.74 3.17 0.04 -0.52 0.43 116.94 118.52 3g5u h PHE 979 Ca -0.00 -0.02 0.16 0.00 2.80 0.00 0.00 57.97 60.92 3g5u h PHE 979 Cb 0.15 0.27 -0.13 0.00 2.20 0.00 0.00 35.95 38.44 3g5u h PHE 979 CO 0.00 -0.49 -0.02 0.78 -0.60 0.00 0.00 178.31 177.98 3g5u h GLY 980 N -1.22 0.79 2.00 -1.45 0.00 -0.81 1.23 103.07 103.61 3g5u h GLY 980 Ca -0.09 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3g5u h GLY 980 CO 0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 176.54 176.38 3g5u h ALA 981 N 1.70 1.76 0.13 3.60 0.00 -1.22 -1.57 119.26 123.66 3g5u h ALA 981 Ca 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3g5u h ALA 981 Cb 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3g5u h ALA 981 CO -0.66 0.03 -0.06 0.00 0.00 0.00 0.00 179.25 178.56 3g5u h MET 982 N 0.00 -0.17 -0.41 0.00 3.00 0.38 -2.15 114.93 115.57 3g5u h MET 982 Ca -0.00 0.01 0.02 0.00 0.00 0.00 0.00 59.70 59.73 3g5u h MET 982 Cb 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 31.60 31.67 3g5u h MET 982 CO 0.00 0.09 0.27 0.00 0.00 0.00 0.00 176.91 177.28 3g5u h ALA 983 N 0.40 1.78 -0.33 -3.00 0.00 -0.92 0.41 119.26 117.60 3g5u h ALA 983 Ca -0.02 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3g5u h ALA 983 Cb 0.34 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3g5u h ALA 983 CO 0.03 0.18 0.07 0.28 0.00 0.00 0.00 179.25 179.81 3g5u h VAL 984 N 0.49 0.85 -0.70 0.00 2.07 -0.78 -0.47 116.25 117.70 3g5u h VAL 984 Ca 0.16 -0.06 0.15 0.00 0.82 0.00 0.00 66.70 67.77 3g5u h VAL 984 Cb 0.04 0.64 -0.11 0.00 -1.52 0.00 0.00 31.29 30.35 3g5u h VAL 984 CO -0.04 0.03 0.12 1.23 0.02 0.00 0.00 177.57 178.93 3g5u h GLY 985 N 0.19 0.90 0.81 2.17 0.00 -0.30 -1.61 103.07 105.23 3g5u h GLY 985 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3g5u h GLY 985 CO -0.20 -0.20 -0.15 1.46 0.00 0.00 0.00 176.54 177.45 3g5u h GLN 986 N 0.22 -0.31 -0.28 4.80 7.50 -0.82 -1.91 115.11 124.30 3g5u h GLN 986 Ca 0.39 0.02 0.02 0.00 0.50 0.00 0.00 58.65 59.57 3g5u h GLN 986 Cb 0.65 0.07 -0.02 0.00 0.05 0.00 0.00 27.48 28.23 3g5u h GLN 986 CO -0.52 -0.21 0.14 -0.24 -1.50 0.00 0.00 178.83 176.50 3g5u h VAL 987 N -0.32 0.99 -0.13 -0.54 3.04 -0.82 -1.49 116.25 116.97 3g5u h VAL 987 Ca 0.00 -0.10 -0.03 0.00 -1.01 0.00 0.00 66.70 65.56 3g5u h VAL 987 Cb 0.31 0.67 -0.02 0.00 -2.01 0.00 0.00 31.29 30.24 3g5u h VAL 987 CO -0.04 0.05 0.04 -1.20 -1.01 0.00 0.00 177.57 175.41 3g5u n SER 988 N -4.96 2.30 -3.52 3.17 7.64 -0.64 -4.82 113.62 112.77 3g5u n SER 988 Ca -0.01 -2.22 -0.13 0.00 1.01 0.00 0.00 58.87 57.52 3g5u n SER 988 Cb 0.07 -0.54 -0.05 0.00 -1.01 0.00 0.00 64.21 62.67 3g5u n SER 988 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3g5u s SER 989 N 0.09 0.66 0.85 6.43 0.01 -0.56 -4.99 113.70 116.18 3g5u s SER 989 Ca 0.10 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 55.99 3g5u s SER 989 Cb 0.08 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.92 3g5u s SER 989 CO 0.03 -1.20 0.00 0.49 0.41 0.00 0.00 173.24 172.97 3g5u n PHE 990 N -0.49 0.00 -0.86 2.43 3.01 -1.26 -4.86 117.46 115.43 3g5u n PHE 990 Ca 0.01 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.11 3g5u n PHE 990 Cb 0.62 0.08 0.09 0.00 -0.01 0.00 0.00 39.48 40.27 3g5u n PHE 990 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3g5u n ALA 991 N 5.15 -4.99 -1.75 4.37 0.00 -1.26 -4.85 120.51 117.18 3g5u n ALA 991 Ca 0.00 -1.28 -0.41 0.00 0.00 0.00 0.00 53.44 51.75 3g5u n ALA 991 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3g5u n ALA 991 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3g5u n PRO 992 N 0.44 2.41 -0.03 0.00 -0.04 -1.26 -4.62 135.00 131.89 3g5u n PRO 992 Ca -0.01 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 3g5u n PRO 992 Cb 0.68 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 3g5u n PRO 992 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3g5u n ASP 993 N 0.34 0.00 0.00 3.54 8.00 -1.26 -4.61 116.55 122.56 3g5u n ASP 993 Ca 0.03 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.98 3g5u n ASP 993 Cb 0.39 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 3g5u n ASP 993 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g5u n TYR 994 N 2.13 0.00 -0.45 1.24 4.19 -1.26 -4.57 117.16 118.44 3g5u n TYR 994 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 3g5u n TYR 994 Cb 0.00 0.01 0.00 0.00 0.49 0.00 0.00 39.34 39.84 3g5u n TYR 994 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3g5u n ALA 995 N 9.29 0.00 0.00 2.98 0.00 -1.26 -2.10 120.51 129.42 3g5u n ALA 995 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3g5u n ALA 995 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3g5u n ALA 995 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3g5u n LYS 996 N 14.00 0.00 0.04 0.00 0.00 -1.26 0.38 118.16 131.31 3g5u n LYS 996 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 3g5u n LYS 996 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 34.94 3g5u n LYS 996 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3g5u h ALA 997 N 0.00 -0.13 -0.39 0.58 0.00 -1.72 -0.33 119.26 117.27 3g5u h ALA 997 Ca 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.72 3g5u h ALA 997 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3g5u h ALA 997 CO 0.00 -0.33 0.15 1.15 0.00 0.00 0.00 179.25 180.22 3g5u h THR 998 N -0.62 0.91 0.27 0.00 2.02 0.67 0.75 112.91 116.91 3g5u h THR 998 Ca -0.01 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.06 3g5u h THR 998 Cb 0.50 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3g5u h THR 998 CO 0.02 0.06 -0.39 0.58 0.37 0.00 0.00 175.52 176.16 3g5u h VAL 999 N 0.32 0.21 -0.90 3.16 2.07 -1.38 0.15 116.25 119.87 3g5u h VAL 999 Ca 0.17 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.86 3g5u h VAL 999 Cb 0.14 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 3g5u h VAL 999 CO -0.16 0.00 0.58 0.28 0.02 0.00 0.00 177.57 178.29 3g5u h SER 1000N -0.72 0.61 0.59 0.57 0.02 -0.33 -0.55 113.55 113.74 3g5u h SER 1000Ca -0.01 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3g5u h SER 1000Cb 0.68 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.16 3g5u h SER 1000CO -0.14 0.28 -0.29 0.00 -1.14 0.00 0.00 176.83 175.55 3g5u h ALA 1001N 1.61 -0.80 -0.64 3.77 0.00 0.21 -1.42 119.26 122.00 3g5u h ALA 1001Ca 0.47 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.29 3g5u h ALA 1001Cb 0.85 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 3g5u h ALA 1001CO -0.22 -0.87 -0.31 0.77 0.00 0.00 0.00 179.25 178.62 3g5u h SER 1002N -0.95 -1.08 -0.02 0.00 0.02 -0.09 0.12 113.55 111.54 3g5u h SER 1002Ca -0.08 0.23 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3g5u h SER 1002Cb 0.66 0.56 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 3g5u h SER 1002CO 0.13 -0.29 -0.24 0.45 -1.14 0.00 0.00 176.83 175.74 3g5u h HIS 1003N -0.12 -0.71 0.00 3.45 -0.00 -0.95 -0.44 115.15 116.37 3g5u h HIS 1003Ca 0.26 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 3g5u h HIS 1003Cb 0.55 0.31 0.00 0.00 -0.00 0.00 0.00 27.41 28.27 3g5u h HIS 1003CO -0.64 -0.25 0.02 0.97 -0.00 0.00 0.00 177.93 178.03 3g5u h ILE 1004N -0.29 0.00 0.01 2.45 -0.00 -0.65 -1.59 117.51 117.44 3g5u h ILE 1004Ca 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.84 3g5u h ILE 1004Cb 0.32 0.94 0.00 0.00 -0.00 0.00 0.00 36.82 38.08 3g5u h ILE 1004CO -0.17 0.00 -0.10 0.40 -0.00 0.00 0.00 178.15 178.28 3g5u h ILE 1005N 0.00 1.67 -0.89 2.19 2.04 -0.02 -1.93 117.51 120.58 3g5u h ILE 1005Ca 0.00 -2.11 0.11 0.00 1.00 0.00 0.00 64.86 63.86 3g5u h ILE 1005Cb 0.04 3.09 -0.08 0.00 -0.74 0.00 0.00 36.82 39.12 3g5u h ILE 1005CO 0.00 0.56 0.52 -0.09 0.00 0.00 0.00 178.15 179.14 3g5u h ARG 1006N -0.79 0.82 -0.14 2.37 2.43 -0.17 -0.43 114.38 118.46 3g5u h ARG 1006Ca -0.01 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 3g5u h ARG 1006Cb 0.96 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 3g5u h ARG 1006CO 0.02 0.54 -0.30 0.82 -1.51 0.00 0.00 179.97 179.54 3g5u h ILE 1007N 0.84 1.27 0.00 1.20 5.03 -1.41 -2.82 117.51 121.62 3g5u h ILE 1007Ca 0.44 -1.27 0.00 0.00 -0.12 0.00 0.00 64.86 63.91 3g5u h ILE 1007Cb 0.43 1.49 0.00 0.00 -3.03 0.00 0.00 36.82 35.71 3g5u h ILE 1007CO -0.26 0.39 -0.22 -0.29 -0.68 0.00 0.00 178.15 177.08 3g5u h ILE 1008N 0.25 0.00 0.21 -0.67 2.10 -0.46 -3.36 117.51 115.58 3g5u h ILE 1008Ca 0.03 -0.92 -0.01 0.00 1.08 0.00 0.00 64.86 65.04 3g5u h ILE 1008Cb 0.67 1.81 0.00 0.00 -1.09 0.00 0.00 36.82 38.20 3g5u h ILE 1008CO 0.05 0.00 -0.10 -0.33 -1.08 0.00 0.00 178.15 176.69 3g5u h GLU 1009N 0.00 -0.27 0.00 2.19 4.39 -0.86 -3.47 114.58 116.56 3g5u h GLU 1009Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3g5u h GLU 1009Cb 0.96 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3g5u h GLU 1009CO 0.00 -0.18 0.00 0.36 -1.16 0.00 0.00 179.01 178.03 3g5u n LYS 1010N -3.51 0.00 -3.02 2.33 -0.00 -1.16 -4.81 118.16 107.99 3g5u n LYS 1010Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.14 3g5u n LYS 1010Cb 0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.11 3g5u n LYS 1010CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 3g5u n THR 1011N 0.00 -0.51 0.00 0.58 5.66 -1.26 -5.03 114.28 113.72 3g5u n THR 1011Ca 0.00 -2.05 0.00 0.00 -3.05 0.00 0.00 64.05 58.95 3g5u n THR 1011Cb 0.00 -0.12 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 3g5u n THR 1011CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3g5u n PRO 1012N 2.83 0.00 0.00 1.09 -0.02 -1.26 -4.60 135.00 133.04 3g5u n PRO 1012Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3g5u n PRO 1012Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 3g5u n PRO 1012CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3g5u n GLU 1013N -3.02 0.00 -2.66 -0.52 0.00 -1.26 -4.39 120.64 108.78 3g5u n GLU 1013Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.12 3g5u n GLU 1013Cb 0.00 -2.62 0.07 0.00 0.00 0.00 0.00 31.44 28.90 3g5u n GLU 1013CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 3g5u n ILE 1014N -0.70 0.00 0.00 6.31 -5.35 -1.26 -5.09 119.36 113.27 3g5u n ILE 1014Ca 0.00 -0.57 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 3g5u n ILE 1014Cb 0.00 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.90 3g5u n ILE 1014CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3g5u n ASP 1015N 1.66 0.00 -0.84 7.28 2.03 -1.26 -4.89 116.55 120.53 3g5u n ASP 1015Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 3g5u n ASP 1015Cb 0.70 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 3g5u n ASP 1015CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3g5u n SER 1016N 0.00 0.64 0.00 1.67 2.88 -1.26 -4.74 113.62 112.81 3g5u n SER 1016Ca 0.00 -0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.12 3g5u n SER 1016Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3g5u n SER 1016CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3g5u n TYR 1017N -0.28 0.00 -0.01 0.66 4.01 -1.26 -4.95 117.16 115.32 3g5u n TYR 1017Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 3g5u n TYR 1017Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 3g5u n TYR 1017CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3g5u n SER 1018N 0.00 1.31 -2.02 7.72 2.88 -1.26 -4.95 113.62 117.30 3g5u n SER 1018Ca 0.00 0.20 -0.08 0.00 -1.33 0.00 0.00 58.87 57.66 3g5u n SER 1018Cb 0.00 -0.46 -0.01 0.00 -0.75 0.00 0.00 64.21 62.99 3g5u n SER 1018CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3g5u n THR 1019N -3.79 0.00 0.00 2.46 -2.24 -1.26 -3.40 114.28 106.05 3g5u n THR 1019Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3g5u n THR 1019Cb 0.26 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 3g5u n THR 1019CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g5u n GLN 1020N -1.12 0.00 -1.52 -0.78 -0.00 -1.26 -0.44 117.38 112.26 3g5u n GLN 1020Ca 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 57.00 57.06 3g5u n GLN 1020Cb 0.08 0.00 0.04 0.00 -0.00 0.00 0.00 30.24 30.36 3g5u n GLN 1020CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3g5u n GLY 1021N -1.91 1.52 2.78 2.61 0.00 -1.26 -4.81 105.19 104.13 3g5u n GLY 1021Ca 0.00 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 3g5u n GLY 1021CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3g5u n LEU 1022N 0.24 -2.05 -1.73 0.99 0.00 -1.26 -4.79 117.00 108.40 3g5u n LEU 1022Ca 0.08 -0.14 -0.22 0.00 0.00 0.00 0.00 56.01 55.73 3g5u n LEU 1022Cb 1.08 -2.72 -0.03 0.00 0.00 0.00 0.00 43.42 41.75 3g5u n LEU 1022CO -0.03 0.02 0.19 0.29 0.00 0.00 0.00 177.39 177.86 3g5u n LYS 1023N -3.47 0.00 -0.22 1.96 4.01 -1.26 -4.54 118.16 114.63 3g5u n LYS 1023Ca -0.15 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.64 3g5u n LYS 1023Cb 0.63 -0.55 -0.01 0.00 -0.51 0.00 0.00 35.03 34.59 3g5u n LYS 1023CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 3g5u n PRO 1024N 0.55 0.45 0.00 1.97 -0.02 -1.26 -1.14 135.00 135.55 3g5u n PRO 1024Ca 0.08 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3g5u n PRO 1024Cb 0.04 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 3g5u n PRO 1024CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3g5u n ASN 1025N 2.00 0.00 -0.36 2.55 6.94 -1.26 -4.88 115.26 120.25 3g5u n ASN 1025Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.59 3g5u n ASN 1025Cb 0.22 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 3g5u n ASN 1025CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 3g5u n MET 1026N 0.00 0.14 0.06 -3.83 2.81 -0.29 -2.90 117.12 113.11 3g5u n MET 1026Ca 0.00 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.02 3g5u n MET 1026Cb 0.00 -1.05 0.38 0.00 -0.71 0.00 0.00 33.22 31.84 3g5u n MET 1026CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3g5u n LEU 1027N 0.16 0.59 0.00 4.03 4.32 -1.26 -4.36 117.00 120.48 3g5u n LEU 1027Ca 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 56.01 56.42 3g5u n LEU 1027Cb 0.03 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 41.51 3g5u n LEU 1027CO 0.00 -0.09 0.36 -0.62 -1.22 0.00 0.00 177.39 175.82 3g5u n GLU 1028N -2.00 0.00 0.00 3.23 -0.58 -1.14 -4.92 120.64 115.23 3g5u n GLU 1028Ca 0.05 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 3g5u n GLU 1028Cb 0.41 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 3g5u n GLU 1028CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g5u n GLY 1029N -0.90 1.29 3.58 0.62 0.00 -1.25 -4.57 105.19 103.96 3g5u n GLY 1029Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3g5u n GLY 1029CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g5u s ASN 1030N -2.00 6.35 -0.08 1.61 -0.87 -0.97 -4.60 114.94 114.37 3g5u s ASN 1030Ca 0.00 0.20 -0.20 0.00 -1.57 0.00 0.00 52.86 51.28 3g5u s ASN 1030Cb 0.00 -2.27 -0.04 0.00 -0.02 0.00 0.00 41.25 38.92 3g5u s ASN 1030CO 0.00 -0.38 0.57 -0.69 -2.57 0.00 0.00 177.10 174.03 3g5u s VAL 1031N 2.33 5.10 -0.19 1.60 1.01 -0.63 -0.98 120.40 128.63 3g5u s VAL 1031Ca 0.19 1.15 -0.01 0.00 0.00 0.00 0.00 61.98 63.31 3g5u s VAL 1031Cb -0.16 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3g5u s VAL 1031CO 0.12 0.32 -0.12 -1.10 0.00 0.00 0.00 175.10 174.31 3g5u s GLN 1032N 0.54 3.20 -0.23 2.72 -1.52 0.02 -1.58 119.66 122.81 3g5u s GLN 1032Ca 0.30 -0.72 0.02 0.00 -1.95 0.00 0.00 55.36 53.01 3g5u s GLN 1032Cb -0.16 -2.78 0.05 0.00 -0.22 0.00 0.00 33.01 29.90 3g5u s GLN 1032CO 0.14 -0.17 -0.11 -0.06 -0.25 0.00 0.00 175.29 174.84 3g5u s PHE 1033N 1.30 2.81 -0.03 0.91 0.08 -0.72 -1.53 117.98 120.80 3g5u s PHE 1033Ca 0.04 -1.94 0.05 0.00 0.12 0.00 0.00 56.93 55.19 3g5u s PHE 1033Cb -0.14 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.53 3g5u s PHE 1033CO -0.07 -0.81 -0.17 0.45 -0.10 0.00 0.00 175.22 174.52 3g5u s SER 1034N 1.26 2.12 0.00 1.36 0.15 -0.39 -1.66 113.70 116.54 3g5u s SER 1034Ca -0.05 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.26 3g5u s SER 1034Cb -0.18 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 3g5u s SER 1034CO -0.07 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.15 3g5u n GLY 1035N 2.99 1.01 0.30 9.45 0.00 -0.61 -0.52 105.19 117.82 3g5u n GLY 1035Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3g5u n GLY 1035CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3g5u n VAL 1036N 0.00 0.00 -4.85 1.61 0.31 -0.79 -0.70 118.33 113.92 3g5u n VAL 1036Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 3g5u n VAL 1036Cb 0.00 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 32.77 3g5u n VAL 1036CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3g5u s VAL 1037N 0.00 1.48 -0.27 2.52 -7.23 -0.16 -0.65 120.40 116.09 3g5u s VAL 1037Ca 0.00 -0.72 -0.28 0.00 -1.81 0.00 0.00 61.98 59.17 3g5u s VAL 1037Cb 0.00 -1.29 0.18 0.00 0.56 0.00 0.00 36.38 35.83 3g5u s VAL 1037CO 0.00 0.43 1.30 0.12 -0.31 0.00 0.00 175.10 176.63 3g5u s PHE 1038N 0.24 -0.12 -0.12 2.82 5.36 0.24 0.90 117.98 127.30 3g5u s PHE 1038Ca -0.09 0.23 -0.04 0.00 -0.96 0.00 0.00 56.93 56.07 3g5u s PHE 1038Cb -0.14 0.48 0.06 0.00 -0.34 0.00 0.00 43.02 43.08 3g5u s PHE 1038CO 0.04 -0.10 0.13 1.21 -1.46 0.00 0.00 175.22 175.04 3g5u s ASN 1039N -0.76 1.41 -0.30 6.13 3.84 -1.26 -1.60 114.94 122.40 3g5u s ASN 1039Ca 0.06 -0.10 -0.42 0.00 0.21 0.00 0.00 52.86 52.62 3g5u s ASN 1039Cb -0.02 0.05 -0.17 0.00 -0.55 0.00 0.00 41.25 40.56 3g5u s ASN 1039CO -0.08 -0.29 1.62 0.00 -2.79 0.00 0.00 177.10 175.56 3g5u n TYR 1040N 5.31 1.81 -0.17 0.43 4.11 -1.26 -4.18 117.16 123.20 3g5u n TYR 1040Ca -0.05 0.78 -0.05 0.00 -0.00 0.00 0.00 57.90 58.58 3g5u n TYR 1040Cb 0.50 -2.35 -0.02 0.00 -0.00 0.00 0.00 39.34 37.47 3g5u n TYR 1040CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 3g5u n PRO 1041N 4.41 0.00 0.00 -3.48 -0.02 -1.26 -3.53 135.00 131.12 3g5u n PRO 1041Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3g5u n PRO 1041Cb 0.07 -0.18 0.00 0.00 -0.02 0.00 0.00 33.50 33.37 3g5u n PRO 1041CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3g5u n THR 1042N 0.88 0.00 -0.18 3.45 5.66 -1.26 -4.97 114.28 117.85 3g5u n THR 1042Ca 0.08 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.22 3g5u n THR 1042Cb 0.00 0.00 0.22 0.00 -1.55 0.00 0.00 70.33 69.00 3g5u n THR 1042CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 3g5u n ARG 1043N 0.00 -0.00 -0.32 1.09 0.63 -1.23 -1.06 116.66 115.77 3g5u n ARG 1043Ca 0.00 0.31 0.22 0.00 -0.92 0.00 0.00 57.85 57.46 3g5u n ARG 1043Cb 0.00 -0.69 0.50 0.00 0.45 0.00 0.00 32.46 32.71 3g5u n ARG 1043CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 3g5u h PRO 1044N 0.00 0.40 -1.60 -0.14 0.13 -1.94 0.71 132.00 129.56 3g5u h PRO 1044Ca 0.26 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 3g5u h PRO 1044Cb 0.99 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3g5u h PRO 1044CO -0.03 0.27 0.00 -1.13 -0.23 0.00 0.00 178.00 176.87 3g5u n SER 1045N -4.64 3.52 -0.37 1.44 3.41 -0.22 -4.94 113.62 111.80 3g5u n SER 1045Ca 0.25 -1.93 0.02 0.00 -0.26 0.00 0.00 58.87 56.95 3g5u n SER 1045Cb 0.86 -0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 64.11 3g5u n SER 1045CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3g5u n ILE 1046N 1.10 0.00 -2.82 -1.33 2.08 0.25 -4.79 119.36 113.85 3g5u n ILE 1046Ca 0.00 0.03 -0.24 0.00 0.56 0.00 0.00 62.75 63.09 3g5u n ILE 1046Cb 0.42 -0.08 0.01 0.00 -0.75 0.00 0.00 39.64 39.24 3g5u n ILE 1046CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 3g5u s PRO 1047N -2.06 3.08 0.00 0.38 0.02 -1.26 -4.77 135.00 130.39 3g5u s PRO 1047Ca 0.00 -0.31 0.25 0.00 0.02 0.00 0.00 61.00 60.96 3g5u s PRO 1047Cb 0.00 -2.48 0.45 0.00 0.02 0.00 0.00 34.50 32.49 3g5u s PRO 1047CO 0.00 -0.36 1.41 1.33 -0.33 0.00 0.00 177.00 179.05 3g5u n VAL 1048N -2.21 0.05 -3.82 3.83 0.24 -0.63 -4.65 118.33 111.14 3g5u n VAL 1048Ca 0.02 -0.45 -0.30 0.00 -2.04 0.00 0.00 64.34 61.57 3g5u n VAL 1048Cb 0.57 1.16 -0.15 0.00 -1.47 0.00 0.00 33.84 33.95 3g5u n VAL 1048CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g5u s LEU 1049N -1.94 2.67 -0.63 1.34 2.01 -0.88 -0.71 118.68 120.55 3g5u s LEU 1049Ca 0.32 -1.57 0.05 0.00 0.01 0.00 0.00 54.13 52.93 3g5u s LEU 1049Cb 0.20 -1.04 0.15 0.00 0.01 0.00 0.00 46.19 45.52 3g5u s LEU 1049CO 0.31 -0.37 0.40 0.00 1.01 0.00 0.00 176.35 177.71 3g5u s GLN 1050N 1.47 2.23 0.00 1.70 -2.07 -0.53 0.79 119.66 123.24 3g5u s GLN 1050Ca 0.06 -3.04 0.00 0.00 -1.82 0.00 0.00 55.36 50.56 3g5u s GLN 1050Cb -0.18 -3.31 0.00 0.00 -1.09 0.00 0.00 33.01 28.43 3g5u s GLN 1050CO -0.17 -1.22 0.00 0.41 -1.32 0.00 0.00 175.29 172.99 3g5u n GLY 1051N 2.42 0.49 3.88 2.60 0.00 -1.15 -4.58 105.19 108.85 3g5u n GLY 1051Ca 0.14 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 3g5u n GLY 1051CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g5u s LEU 1052N -1.43 4.31 -0.29 0.99 2.96 0.17 -4.80 118.68 120.59 3g5u s LEU 1052Ca 0.00 0.75 -0.06 0.00 -0.22 0.00 0.00 54.13 54.60 3g5u s LEU 1052Cb 0.00 -3.13 0.15 0.00 0.50 0.00 0.00 46.19 43.71 3g5u s LEU 1052CO 0.00 0.12 0.60 -0.44 -1.32 0.00 0.00 176.35 175.31 3g5u s SER 1053N -1.98 -1.09 0.00 3.68 0.01 -1.26 -1.57 113.70 111.48 3g5u s SER 1053Ca 0.36 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.83 3g5u s SER 1053Cb -0.13 2.12 0.00 0.00 0.21 0.00 0.00 66.02 68.22 3g5u s SER 1053CO 0.20 -0.24 0.00 0.18 0.41 0.00 0.00 173.24 173.79 3g5u n LEU 1054N 5.43 0.00 -3.61 2.44 7.99 -0.66 -4.98 117.00 123.61 3g5u n LEU 1054Ca -0.07 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 55.97 3g5u n LEU 1054Cb 0.50 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.81 3g5u n LEU 1054CO -0.01 0.00 1.21 -0.70 -1.51 0.00 0.00 177.39 176.38 3g5u s GLU 1055N -0.18 0.05 -0.18 3.23 -6.30 -1.26 -1.75 118.70 112.32 3g5u s GLU 1055Ca 0.00 -0.03 -0.07 0.00 -2.50 0.00 0.00 54.97 52.37 3g5u s GLU 1055Cb 0.00 0.02 0.07 0.00 0.00 0.00 0.00 34.13 34.22 3g5u s GLU 1055CO 0.00 -0.02 0.39 0.54 0.02 0.00 0.00 175.26 176.19 3g5u s VAL 1056N -2.05 -0.36 0.00 3.70 0.11 -0.62 -4.96 120.40 116.22 3g5u s VAL 1056Ca 0.17 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 3g5u s VAL 1056Cb 0.07 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 3g5u s VAL 1056CO -0.06 0.06 0.00 0.29 -3.33 0.00 0.00 175.10 172.06 3g5u n LYS 1057N 4.91 1.71 -3.92 1.54 4.01 -1.26 -1.61 118.16 123.54 3g5u n LYS 1057Ca -0.15 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.42 3g5u n LYS 1057Cb 0.52 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.98 3g5u n LYS 1057CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 3g5u s LYS 1058N 0.00 2.36 0.00 1.97 -2.85 -1.26 -4.31 119.74 115.65 3g5u s LYS 1058Ca 0.00 -1.68 0.00 0.00 -1.00 0.00 0.00 55.97 53.29 3g5u s LYS 1058Cb 0.00 -2.16 0.00 0.00 -2.06 0.00 0.00 37.83 33.61 3g5u s LYS 1058CO 0.00 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.75 3g5u n GLY 1059N -1.33 -0.34 0.00 0.59 0.00 -1.26 -4.73 105.19 98.11 3g5u n GLY 1059Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3g5u n GLY 1059CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g5u n GLN 1060N -1.83 1.56 -3.30 1.61 -0.00 -1.24 -4.30 117.38 109.88 3g5u n GLN 1060Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.00 56.92 3g5u n GLN 1060Cb 0.34 0.00 -0.06 0.00 -0.00 0.00 0.00 30.24 30.52 3g5u n GLN 1060CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3g5u s THR 1061N 3.53 -0.66 -0.38 -0.39 2.01 -1.26 -1.89 115.64 116.60 3g5u s THR 1061Ca 0.00 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.49 3g5u s THR 1061Cb 0.00 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.58 3g5u s THR 1061CO 0.00 -0.22 1.13 -0.22 -0.69 0.00 0.00 174.62 174.62 3g5u s LEU 1062N 2.57 3.81 -0.18 4.42 1.98 -0.51 -2.06 118.68 128.71 3g5u s LEU 1062Ca 0.11 0.84 -0.21 0.00 -2.89 0.00 0.00 54.13 51.98 3g5u s LEU 1062Cb -0.13 -3.55 -0.03 0.00 0.66 0.00 0.00 46.19 43.15 3g5u s LEU 1062CO -0.27 -1.06 0.63 0.00 -1.89 0.00 0.00 176.35 173.77 3g5u s ALA 1063N 4.08 3.52 -0.16 5.97 0.00 -0.15 -1.58 121.76 133.44 3g5u s ALA 1063Ca 0.48 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.23 3g5u s ALA 1063Cb -0.11 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.06 3g5u s ALA 1063CO 0.23 -0.48 -0.18 -1.17 0.00 0.00 0.00 175.76 174.16 3g5u s LEU 1064N 1.72 2.32 -0.24 0.00 1.98 -0.76 -0.80 118.68 122.90 3g5u s LEU 1064Ca 0.30 -0.54 -0.01 0.00 -2.89 0.00 0.00 54.13 50.99 3g5u s LEU 1064Cb -0.16 -1.52 0.07 0.00 0.66 0.00 0.00 46.19 45.25 3g5u s LEU 1064CO 0.11 0.07 0.03 0.54 -1.89 0.00 0.00 176.35 175.21 3g5u s VAL 1065N 0.92 0.93 0.00 1.68 0.11 -0.72 -2.05 120.40 121.28 3g5u s VAL 1065Ca -0.04 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 57.97 3g5u s VAL 1065Cb -0.15 -1.47 0.00 0.00 -1.53 0.00 0.00 36.38 33.23 3g5u s VAL 1065CO -0.03 -0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.01 3g5u n GLY 1066N 4.87 5.22 0.00 6.54 0.00 -1.26 -1.80 105.19 118.75 3g5u n GLY 1066Ca -0.07 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3g5u n GLY 1066CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g5u n SER 1067N -0.11 0.00 -3.61 1.61 3.41 -1.23 -4.91 113.62 108.77 3g5u n SER 1067Ca 0.00 0.48 -0.05 0.00 -0.26 0.00 0.00 58.87 59.04 3g5u n SER 1067Cb 0.00 -0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 63.52 3g5u n SER 1067CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3g5u s SER 1068N -2.47 -0.15 1.37 4.04 0.15 -1.26 -5.12 113.70 110.26 3g5u s SER 1068Ca 0.00 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.76 3g5u s SER 1068Cb 0.00 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 3g5u s SER 1068CO 0.00 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.88 3g5u n GLY 1069N 0.38 2.56 3.22 9.45 0.00 -1.26 -4.73 105.19 114.82 3g5u n GLY 1069Ca -0.02 0.34 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 3g5u n GLY 1069CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5u n GLY 1071N 2.34 1.87 0.23 0.00 0.00 -1.26 -4.56 105.19 103.81 3g5u n GLY 1071Ca 0.01 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 3g5u n GLY 1071CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g5u h LYS 1072N 0.00 0.76 0.74 1.61 1.57 -1.92 -1.54 116.57 117.80 3g5u h LYS 1072Ca 0.00 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 3g5u h LYS 1072Cb 0.00 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.18 3g5u h LYS 1072CO 0.00 0.64 -0.36 0.66 -0.57 0.00 0.00 179.45 179.82 3g5u h SER 1073N 0.71 -0.85 -0.69 0.86 4.64 -1.81 -2.52 113.55 113.90 3g5u h SER 1073Ca 0.18 0.01 0.15 0.00 -0.47 0.00 0.00 61.79 61.66 3g5u h SER 1073Cb 0.13 0.22 -0.11 0.00 -0.31 0.00 0.00 62.40 62.33 3g5u h SER 1073CO -0.02 -0.54 0.10 0.71 -0.87 0.00 0.00 176.83 176.20 3g5u h THR 1074N -1.11 0.49 0.01 2.95 1.35 -1.89 0.22 112.91 114.93 3g5u h THR 1074Ca -0.10 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3g5u h THR 1074Cb 0.79 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.48 3g5u h THR 1074CO 0.17 0.04 -0.06 0.58 -0.25 0.00 0.00 175.52 175.99 3g5u h VAL 1075N 0.20 0.00 -0.19 6.82 2.07 -1.25 0.26 116.25 124.16 3g5u h VAL 1075Ca 0.38 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.92 3g5u h VAL 1075Cb 0.64 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3g5u h VAL 1075CO -0.53 0.00 -0.11 0.52 0.02 0.00 0.00 177.57 177.47 3g5u n VAL 1076N -2.80 -0.13 -0.23 2.57 0.31 -0.75 -0.67 118.33 116.64 3g5u n VAL 1076Ca -0.01 1.50 -0.06 0.00 -0.01 0.00 0.00 64.34 65.76 3g5u n VAL 1076Cb 0.05 -1.96 -0.05 0.00 -0.91 0.00 0.00 33.84 30.96 3g5u n VAL 1076CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g5u n GLN 1077N -3.36 -0.24 -0.32 5.55 6.02 -0.01 0.39 117.38 125.41 3g5u n GLN 1077Ca 0.00 1.17 0.24 0.00 -0.01 0.00 0.00 57.00 58.41 3g5u n GLN 1077Cb 0.05 -1.74 0.45 0.00 1.02 0.00 0.00 30.24 30.02 3g5u n GLN 1077CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3g5u n LEU 1078N -4.25 0.15 -0.20 1.08 4.77 0.92 0.28 117.00 119.74 3g5u n LEU 1078Ca 0.01 1.62 -0.07 0.00 -0.03 0.00 0.00 56.01 57.53 3g5u n LEU 1078Cb 0.14 -0.70 0.07 0.00 -2.33 0.00 0.00 43.42 40.60 3g5u n LEU 1078CO -0.09 -1.74 0.88 0.25 -1.33 0.00 0.00 177.39 175.36 3g5u h LEU 1079N 0.00 0.99 0.00 2.23 5.85 0.83 0.38 115.31 125.60 3g5u h LEU 1079Ca 0.72 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 59.19 3g5u h LEU 1079Cb 1.76 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.53 3g5u h LEU 1079CO -0.81 1.01 0.00 -0.62 -0.34 0.00 0.00 178.44 177.68 3g5u n GLU 1080N -4.20 0.66 -4.06 1.25 -0.58 0.81 -4.87 120.64 109.65 3g5u n GLU 1080Ca 0.04 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.41 3g5u n GLU 1080Cb 0.31 -1.36 -0.02 0.00 -0.57 0.00 0.00 31.44 29.80 3g5u n GLU 1080CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3g5u n ARG 1081N -0.86 -0.51 -0.08 3.49 0.63 0.13 -4.82 116.66 114.65 3g5u n ARG 1081Ca 0.11 0.01 -0.17 0.00 -0.92 0.00 0.00 57.85 56.88 3g5u n ARG 1081Cb 0.05 -2.34 -0.12 0.00 0.45 0.00 0.00 32.46 30.50 3g5u n ARG 1081CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 3g5u h PHE 1082N -1.76 0.00 -3.90 -0.14 0.04 -1.75 -3.45 116.94 105.99 3g5u h PHE 1082Ca -0.61 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 59.48 3g5u h PHE 1082Cb 1.22 0.00 -0.26 0.00 2.20 0.00 0.00 35.95 39.11 3g5u h PHE 1082CO 0.36 1.17 -0.79 0.71 -0.60 0.00 0.00 178.31 179.16 3g5u s TYR 1083N -2.27 2.67 -0.12 -0.55 1.51 -1.26 -4.63 117.35 112.71 3g5u s TYR 1083Ca -0.23 -0.36 -0.17 0.00 -1.01 0.00 0.00 57.07 55.30 3g5u s TYR 1083Cb 0.01 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 3g5u s TYR 1083CO 0.63 0.03 0.44 -0.51 -1.11 0.00 0.00 175.55 175.03 3g5u s ASP 1084N -0.40 6.65 0.18 2.29 1.01 -1.26 -4.55 116.67 120.60 3g5u s ASP 1084Ca 0.04 0.78 -0.31 0.00 0.71 0.00 0.00 52.55 53.77 3g5u s ASP 1084Cb -0.12 -2.27 -0.17 0.00 1.01 0.00 0.00 42.92 41.37 3g5u s ASP 1084CO 0.02 0.04 0.80 -0.81 0.21 0.00 0.00 175.17 175.43 3g5u n PRO 1085N 3.53 0.46 0.18 8.23 -0.04 -1.26 -4.83 135.00 141.27 3g5u n PRO 1085Ca -0.08 0.16 0.14 0.00 -0.04 0.00 0.00 63.50 63.68 3g5u n PRO 1085Cb 0.52 -1.39 0.54 0.00 -0.04 0.00 0.00 33.50 33.13 3g5u n PRO 1085CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3g5u h MET 1086N 1.88 0.00 -1.68 0.54 2.86 0.13 -3.45 114.93 115.22 3g5u h MET 1086Ca -0.36 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.32 3g5u h MET 1086Cb 1.40 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.82 3g5u h MET 1086CO 0.61 0.00 0.40 0.00 1.06 0.00 0.00 176.91 178.98 3g5u s ALA 1087N -3.42 -1.93 0.00 6.32 0.00 -0.74 -4.95 121.76 117.04 3g5u s ALA 1087Ca 0.04 1.85 0.00 0.00 0.00 0.00 0.00 51.96 53.85 3g5u s ALA 1087Cb 0.09 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.95 3g5u s ALA 1087CO 0.46 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.37 3g5u n GLY 1088N 2.09 -1.58 2.20 0.00 0.00 -1.26 -0.99 105.19 105.65 3g5u n GLY 1088Ca -0.13 -2.07 -0.06 0.00 0.00 0.00 0.00 46.02 43.76 3g5u n GLY 1088CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3g5u n SER 1089N 0.00 -1.26 -3.84 1.61 2.88 0.33 -4.79 113.62 108.55 3g5u n SER 1089Ca 0.00 -2.00 -0.09 0.00 -1.33 0.00 0.00 58.87 55.45 3g5u n SER 1089Cb 0.00 2.13 -0.07 0.00 -0.75 0.00 0.00 64.21 65.52 3g5u n SER 1089CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3g5u s VAL 1090N -2.51 0.12 -0.27 2.46 0.11 -1.00 -1.26 120.40 118.06 3g5u s VAL 1090Ca 0.11 -1.13 -0.02 0.00 -2.93 0.00 0.00 61.98 58.01 3g5u s VAL 1090Cb -0.02 -1.39 0.12 0.00 -1.53 0.00 0.00 36.38 33.56 3g5u s VAL 1090CO 0.08 -0.56 0.24 -0.36 -3.33 0.00 0.00 175.10 171.18 3g5u s PHE 1091N -3.87 -0.27 -1.63 1.54 0.08 -0.58 0.31 117.98 113.56 3g5u s PHE 1091Ca 0.06 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 56.92 3g5u s PHE 1091Cb 0.04 -0.52 0.00 0.00 -0.57 0.00 0.00 43.02 41.98 3g5u s PHE 1091CO -0.10 -0.82 0.68 1.47 -0.10 0.00 0.00 175.22 176.35 3g5u n LEU 1092N 5.30 0.00 0.00 -0.37 -0.00 -1.26 -0.80 117.00 119.87 3g5u n LEU 1092Ca -0.04 0.18 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 3g5u n LEU 1092Cb 0.46 -0.18 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 3g5u n LEU 1092CO 0.03 -0.18 0.00 -0.67 -0.00 0.00 0.00 177.39 176.57 3g5u n ASP 1093N -1.18 0.00 0.00 1.45 2.03 -0.15 -2.29 116.55 116.41 3g5u n ASP 1093Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3g5u n ASP 1093Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3g5u n ASP 1093CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3g5u n GLY 1094N 0.00 0.56 3.62 0.27 0.00 -1.26 -4.77 105.19 103.61 3g5u n GLY 1094Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3g5u n GLY 1094CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5u s LYS 1095N -0.04 0.23 0.00 1.61 3.01 -1.26 -5.06 119.74 118.23 3g5u s LYS 1095Ca 0.00 0.41 0.00 0.00 -1.01 0.00 0.00 55.97 55.37 3g5u s LYS 1095Cb 0.00 0.06 0.00 0.00 -1.01 0.00 0.00 37.83 36.88 3g5u s LYS 1095CO 0.00 -0.05 0.00 0.39 0.51 0.00 0.00 175.35 176.20 3g5u n GLU 1096N 3.53 0.00 -2.57 1.68 1.02 -1.20 -4.58 120.64 118.52 3g5u n GLU 1096Ca -0.17 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.54 3g5u n GLU 1096Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 3g5u n GLU 1096CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3g5u n ILE 1097N 0.17 4.01 0.08 -3.67 2.08 0.91 0.46 119.36 123.40 3g5u n ILE 1097Ca 0.00 -4.18 0.00 0.00 0.56 0.00 0.00 62.75 59.13 3g5u n ILE 1097Cb 0.00 -2.41 0.00 0.00 -0.75 0.00 0.00 39.64 36.48 3g5u n ILE 1097CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3g5u n LYS 1098N 7.05 0.00 -3.90 0.38 3.00 -1.26 -2.39 118.16 121.04 3g5u n LYS 1098Ca 0.45 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.46 3g5u n LYS 1098Cb 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.32 3g5u n LYS 1098CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 3g5u s GLN 1099N -1.40 1.57 -0.03 1.64 -0.44 1.66 -5.03 119.66 117.63 3g5u s GLN 1099Ca 0.00 -2.13 -0.10 0.00 -2.50 0.00 0.00 55.36 50.63 3g5u s GLN 1099Cb 0.00 -2.96 0.01 0.00 -1.64 0.00 0.00 33.01 28.42 3g5u s GLN 1099CO 0.00 -1.06 0.21 -1.17 0.50 0.00 0.00 175.29 173.78 3g5u s LEU 1100N 0.37 1.22 -0.41 3.68 2.96 -0.89 -4.46 118.68 121.15 3g5u s LEU 1100Ca 0.15 0.10 -0.27 0.00 -0.22 0.00 0.00 54.13 53.88 3g5u s LEU 1100Cb -0.23 0.87 -0.03 0.00 0.50 0.00 0.00 46.19 47.30 3g5u s LEU 1100CO -0.05 -0.29 2.01 0.21 -1.32 0.00 0.00 176.35 176.91 3g5u s ASN 1101N -0.86 5.37 0.15 3.68 3.84 0.42 -4.80 114.94 122.73 3g5u s ASN 1101Ca -0.09 1.13 -0.18 0.00 0.21 0.00 0.00 52.86 53.93 3g5u s ASN 1101Cb -0.05 -2.52 0.08 0.00 -0.55 0.00 0.00 41.25 38.22 3g5u s ASN 1101CO 0.02 -2.16 1.19 0.55 -2.79 0.00 0.00 177.10 173.91 3g5u n VAL 1102N 7.55 -0.46 -0.34 -5.21 3.14 -1.26 -0.30 118.33 121.44 3g5u n VAL 1102Ca 0.26 1.83 0.13 0.00 -2.96 0.00 0.00 64.34 63.60 3g5u n VAL 1102Cb 0.49 -2.35 0.34 0.00 -1.06 0.00 0.00 33.84 31.26 3g5u n VAL 1102CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 3g5u h GLN 1103N 0.00 0.72 0.02 1.45 5.75 -1.89 0.68 115.11 121.85 3g5u h GLN 1103Ca 0.21 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 3g5u h GLN 1103Cb 0.40 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.79 3g5u h GLN 1103CO -0.75 0.48 -0.01 2.35 -2.65 0.00 0.00 178.83 178.25 3g5u h TRP 1104N 0.74 -0.03 -0.90 3.99 7.01 -1.07 -1.48 115.95 124.22 3g5u h TRP 1104Ca 0.57 -0.00 0.20 0.00 2.11 0.00 0.00 58.89 61.77 3g5u h TRP 1104Cb 0.91 0.01 -0.17 0.00 -2.10 0.00 0.00 29.16 27.81 3g5u h TRP 1104CO -0.00 0.72 -0.14 1.25 -2.79 0.00 0.00 178.44 177.48 3g5u h LEU 1105N -0.86 -0.69 -0.03 0.65 5.85 0.96 5.05 115.31 126.24 3g5u h LEU 1105Ca -0.00 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3g5u h LEU 1105Cb 0.75 0.51 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3g5u h LEU 1105CO 0.00 -0.29 -0.01 0.54 -0.34 0.00 0.00 178.44 178.35 3g5u n ARG 1106N -5.53 0.77 -0.13 1.25 1.74 0.22 -2.57 116.66 112.42 3g5u n ARG 1106Ca 0.16 -0.03 -0.07 0.00 -0.77 0.00 0.00 57.85 57.14 3g5u n ARG 1106Cb 0.53 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.48 3g5u n ARG 1106CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g5u h ALA 1107N 3.76 0.53 -2.51 7.54 0.00 1.12 -3.36 119.26 126.35 3g5u h ALA 1107Ca 0.00 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.21 3g5u h ALA 1107Cb 0.14 -0.13 -0.19 0.00 0.00 0.00 0.00 17.79 17.61 3g5u h ALA 1107CO 0.00 -0.06 -0.31 -0.65 0.00 0.00 0.00 179.25 178.23 3g5u s GLN 1108N -6.16 3.26 -0.34 0.00 1.11 -1.01 -4.88 119.66 111.64 3g5u s GLN 1108Ca -0.13 -0.69 -0.06 0.00 0.01 0.00 0.00 55.36 54.49 3g5u s GLN 1108Cb 0.11 -3.90 0.19 0.00 -1.01 0.00 0.00 33.01 28.40 3g5u s GLN 1108CO 0.73 -0.68 0.99 -0.48 0.01 0.00 0.00 175.29 175.85 3g5u s LEU 1109N 1.96 -0.52 -1.30 2.90 2.34 -1.26 -4.82 118.68 117.98 3g5u s LEU 1109Ca 0.10 -0.31 -0.18 0.00 0.06 0.00 0.00 54.13 53.80 3g5u s LEU 1109Cb -0.17 0.66 0.05 0.00 -0.56 0.00 0.00 46.19 46.17 3g5u s LEU 1109CO 0.12 -0.05 1.82 0.61 -1.06 0.00 0.00 176.35 177.79 3g5u n GLY 1110N 3.65 2.64 3.85 -3.48 0.00 -0.78 -4.84 105.19 106.23 3g5u n GLY 1110Ca 0.07 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 3g5u n GLY 1110CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3g5u s ILE 1111N 4.81 5.17 -0.29 -0.61 1.10 -1.26 0.17 121.20 130.30 3g5u s ILE 1111Ca 0.55 0.65 -0.14 0.00 -0.51 0.00 0.00 60.65 61.20 3g5u s ILE 1111Cb 0.05 -3.62 0.12 0.00 0.15 0.00 0.00 42.46 39.16 3g5u s ILE 1111CO 0.07 0.59 0.74 -0.69 -2.11 0.00 0.00 174.94 173.54 3g5u s VAL 1112N -1.06 -0.42 0.47 4.00 1.01 -0.67 -4.83 120.40 118.90 3g5u s VAL 1112Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.21 3g5u s VAL 1112Cb -0.15 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 3g5u s VAL 1112CO 0.11 0.00 0.06 -0.55 0.00 0.00 0.00 175.10 174.72 3g5u s SER 1113N 2.15 3.56 0.00 3.32 0.15 -1.26 -1.79 113.70 119.83 3g5u s SER 1113Ca -0.08 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 54.90 3g5u s SER 1113Cb -0.08 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 3g5u s SER 1113CO -0.19 -0.90 0.14 0.00 1.20 0.00 0.00 173.24 173.50 3g5u n GLN 1114N -1.12 0.00 -2.65 5.44 1.13 -1.12 -3.61 117.38 115.44 3g5u n GLN 1114Ca -0.14 0.14 -0.42 0.00 -1.94 0.00 0.00 57.00 54.65 3g5u n GLN 1114Cb 0.66 -0.43 -0.03 0.00 0.11 0.00 0.00 30.24 30.55 3g5u n GLN 1114CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3g5u s GLU 1115N -0.50 3.36 0.00 -1.09 2.56 -1.26 -4.87 118.70 116.89 3g5u s GLU 1115Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.97 54.90 3g5u s GLU 1115Cb 0.00 -4.08 0.00 0.00 2.00 0.00 0.00 34.13 32.05 3g5u s GLU 1115CO 0.00 -1.76 0.00 -0.35 -0.56 0.00 0.00 175.26 172.59 3g5u n PRO 1116N 8.39 3.43 0.00 4.30 -0.04 -1.24 -5.09 135.00 144.75 3g5u n PRO 1116Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3g5u n PRO 1116Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 3g5u n PRO 1116CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3g5u n ILE 1117N 0.00 0.00 -3.65 0.52 0.13 -1.26 -5.05 119.36 110.05 3g5u n ILE 1117Ca 0.00 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.54 3g5u n ILE 1117Cb 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 39.64 38.73 3g5u n ILE 1117CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 3g5u s LEU 1118N 0.00 -0.70 0.40 9.51 1.02 -1.26 -4.96 118.68 122.69 3g5u s LEU 1118Ca 0.00 1.40 -0.21 0.00 0.02 0.00 0.00 54.13 55.34 3g5u s LEU 1118Cb 0.00 2.30 -0.11 0.00 0.02 0.00 0.00 46.19 48.40 3g5u s LEU 1118CO 0.00 -0.24 0.92 0.12 0.02 0.00 0.00 176.35 177.18 3g5u s PHE 1119N 0.90 3.36 0.00 0.29 5.36 -1.26 -4.72 117.98 121.91 3g5u s PHE 1119Ca -0.04 1.58 0.00 0.00 -0.96 0.00 0.00 56.93 57.51 3g5u s PHE 1119Cb -0.05 -2.82 0.00 0.00 -0.34 0.00 0.00 43.02 39.81 3g5u s PHE 1119CO -0.08 -0.05 0.59 -0.40 -1.46 0.00 0.00 175.22 173.83 3g5u n ASP 1120N -0.46 0.00 -5.00 6.13 5.68 -1.26 -4.84 116.55 116.80 3g5u n ASP 1120Ca 0.06 -1.42 -0.18 0.00 -0.50 0.00 0.00 54.79 52.75 3g5u n ASP 1120Cb 0.53 -0.22 0.01 0.00 -1.14 0.00 0.00 41.12 40.31 3g5u n ASP 1120CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3g5u s SER 1122N -4.38 3.98 0.54 0.00 1.04 -1.26 -1.68 113.70 111.94 3g5u s SER 1122Ca 0.55 2.22 0.22 0.00 0.48 0.00 0.00 55.95 59.42 3g5u s SER 1122Cb -0.09 -2.57 1.48 0.00 0.10 0.00 0.00 66.02 64.94 3g5u s SER 1122CO 0.33 -2.40 2.18 0.16 0.98 0.00 0.00 173.24 174.49 3g5u h ILE 1123N -0.76 0.81 -0.93 -1.02 -0.00 -1.33 -0.92 117.51 113.34 3g5u h ILE 1123Ca -0.46 -0.06 0.07 0.00 -0.00 0.00 0.00 64.86 64.41 3g5u h ILE 1123Cb 1.28 1.03 -0.06 0.00 -0.00 0.00 0.00 36.82 39.07 3g5u h ILE 1123CO 0.48 0.01 0.61 0.00 -0.00 0.00 0.00 178.15 179.25 3g5u h ALA 1124N 1.98 1.49 -0.01 0.16 0.00 -1.64 0.72 119.26 121.96 3g5u h ALA 1124Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3g5u h ALA 1124Cb 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3g5u h ALA 1124CO 0.00 0.36 -0.09 0.93 0.00 0.00 0.00 179.25 180.45 3g5u h GLU 1125N 1.06 0.07 0.00 0.00 4.39 -1.50 -1.87 114.58 116.73 3g5u h GLU 1125Ca 0.41 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.04 3g5u h GLU 1125Cb 0.21 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3g5u h GLU 1125CO -0.16 0.80 -0.03 -0.91 -1.16 0.00 0.00 179.01 177.55 3g5u h ASN 1126N -0.63 -0.09 -0.49 1.42 -0.26 -0.79 0.64 115.58 115.39 3g5u h ASN 1126Ca -0.01 0.01 0.06 0.00 -0.56 0.00 0.00 56.30 55.80 3g5u h ASN 1126Cb 0.83 0.03 -0.07 0.00 -1.06 0.00 0.00 38.32 38.05 3g5u h ASN 1126CO 0.02 -0.03 -0.24 -0.38 -1.06 0.00 0.00 177.43 175.74 3g5u n ILE 1127N -2.65 -0.29 0.29 2.81 5.41 0.25 0.61 119.36 125.78 3g5u n ILE 1127Ca -0.00 1.16 0.00 0.00 1.00 0.00 0.00 62.75 64.91 3g5u n ILE 1127Cb 0.02 -1.49 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 3g5u n ILE 1127CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g5u n ALA 1128N -3.69 1.44 -0.47 -1.39 0.00 0.21 -4.10 120.51 112.52 3g5u n ALA 1128Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 3g5u n ALA 1128Cb 0.16 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 3g5u n ALA 1128CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3g5u n TYR 1129N 0.16 0.20 -0.03 0.00 4.01 2.61 -4.43 117.16 119.69 3g5u n TYR 1129Ca 0.00 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 3g5u n TYR 1129Cb 0.04 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.32 3g5u n TYR 1129CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g5u n GLY 1130N 2.11 0.69 0.50 2.72 0.00 -1.26 -4.54 105.19 105.40 3g5u n GLY 1130Ca 0.20 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.63 3g5u n GLY 1130CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3g5u n ASP 1131N 2.71 0.13 0.00 1.61 5.68 -1.26 -4.77 116.55 120.65 3g5u n ASP 1131Ca 0.00 1.13 0.00 0.00 -0.50 0.00 0.00 54.79 55.42 3g5u n ASP 1131Cb 0.00 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.42 3g5u n ASP 1131CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3g5u n ASN 1132N -4.25 0.00 -0.30 -1.12 0.23 -1.26 -4.79 115.26 103.78 3g5u n ASN 1132Ca 0.38 0.00 0.33 0.00 -0.53 0.00 0.00 54.58 54.76 3g5u n ASN 1132Cb 1.55 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 39.83 3g5u n ASN 1132CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3g5u h SER 1133N 0.00 0.00 0.00 0.53 4.64 -2.00 -3.40 113.55 113.32 3g5u h SER 1133Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 3g5u h SER 1133Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 3g5u h SER 1133CO 0.00 0.00 1.28 0.54 -0.87 0.00 0.00 176.83 177.78 3g5u n ARG 1134N -3.50 0.00 -2.00 4.77 5.12 -1.26 -4.84 116.66 114.95 3g5u n ARG 1134Ca 0.26 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.86 3g5u n ARG 1134Cb 1.53 -1.35 0.01 0.00 -1.16 0.00 0.00 32.46 31.49 3g5u n ARG 1134CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3g5u s VAL 1135N 6.01 4.00 -0.09 1.55 0.11 -1.26 -4.76 120.40 125.96 3g5u s VAL 1135Ca 1.12 0.88 -0.01 0.00 -2.93 0.00 0.00 61.98 61.03 3g5u s VAL 1135Cb -1.31 -3.46 -0.01 0.00 -1.53 0.00 0.00 36.38 30.08 3g5u s VAL 1135CO 0.56 -0.63 1.12 0.52 -3.33 0.00 0.00 175.10 173.34 3g5u n VAL 1136N -2.20 0.25 -1.54 2.04 0.31 -1.26 -4.82 118.33 111.11 3g5u n VAL 1136Ca 0.08 -0.15 -0.34 0.00 -0.01 0.00 0.00 64.34 63.92 3g5u n VAL 1136Cb 0.53 -1.57 -0.07 0.00 -0.91 0.00 0.00 33.84 31.83 3g5u n VAL 1136CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3g5u n SER 1137N 4.95 1.70 0.00 4.52 2.88 -1.26 -4.85 113.62 121.56 3g5u n SER 1137Ca 0.05 -0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 3g5u n SER 1137Cb 0.02 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.06 3g5u n SER 1137CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3g5u n TYR 1138N 14.71 0.00 -0.32 0.66 4.19 -1.26 0.64 117.16 135.78 3g5u n TYR 1138Ca 0.45 0.00 0.35 0.00 3.31 0.00 0.00 57.90 62.01 3g5u n TYR 1138Cb 0.41 0.00 0.62 0.00 0.49 0.00 0.00 39.34 40.86 3g5u n TYR 1138CO 0.00 0.00 0.00 1.05 0.91 0.00 0.00 176.86 178.82 3g5u h GLU 1139N 0.00 0.00 0.63 2.98 9.09 -1.98 1.45 114.58 126.75 3g5u h GLU 1139Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 3g5u h GLU 1139Cb 0.00 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.11 3g5u h GLU 1139CO 0.00 0.00 -0.30 1.49 0.05 0.00 0.00 179.01 180.25 3g5u h GLU 1140N 0.00 -0.81 -0.38 1.06 4.22 -1.08 0.54 114.58 118.12 3g5u h GLU 1140Ca 0.59 0.06 0.11 0.00 0.08 0.00 0.00 59.36 60.19 3g5u h GLU 1140Cb 2.87 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 32.29 3g5u h GLU 1140CO -0.01 -0.54 0.54 -0.84 -2.18 0.00 0.00 179.01 175.98 3g5u h ILE 1141N -1.21 0.23 0.09 2.32 3.07 0.76 1.10 117.51 123.87 3g5u h ILE 1141Ca -0.09 0.00 -0.25 0.00 1.55 0.00 0.00 64.86 66.08 3g5u h ILE 1141Cb 0.65 0.55 0.02 0.00 -0.27 0.00 0.00 36.82 37.77 3g5u h ILE 1141CO 0.14 0.00 -1.02 0.58 -1.05 0.00 0.00 178.15 176.80 3g5u h VAL 1142N 0.00 1.35 -0.38 0.16 2.07 -0.29 -1.71 116.25 117.45 3g5u h VAL 1142Ca 0.18 -2.37 0.06 0.00 0.82 0.00 0.00 66.70 65.38 3g5u h VAL 1142Cb 1.25 2.74 -0.05 0.00 -1.52 0.00 0.00 31.29 33.72 3g5u h VAL 1142CO -0.00 0.71 0.08 -0.09 0.02 0.00 0.00 177.57 178.28 3g5u h ARG 1143N 0.09 0.20 0.00 1.57 9.65 0.65 0.49 114.38 127.03 3g5u h ARG 1143Ca -0.15 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3g5u h ARG 1143Cb 1.73 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 30.26 3g5u h ARG 1143CO 0.20 0.13 0.00 0.00 2.80 0.00 0.00 179.97 183.10 3g5u n ALA 1144N -2.43 -0.31 -0.42 2.80 0.00 -0.34 -1.61 120.51 118.20 3g5u n ALA 1144Ca 0.02 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.82 3g5u n ALA 1144Cb 0.17 0.08 0.60 0.00 0.00 0.00 0.00 19.45 20.30 3g5u n ALA 1144CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g5u n ALA 1145N -1.79 1.22 -1.00 0.00 0.00 -0.65 0.18 120.51 118.47 3g5u n ALA 1145Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 53.44 54.19 3g5u n ALA 1145Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3g5u n ALA 1145CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3g5u n LYS 1146N -4.40 0.00 0.18 0.00 4.76 0.17 -0.74 118.16 118.13 3g5u n LYS 1146Ca 0.35 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.92 3g5u n LYS 1146Cb 1.39 -0.84 0.66 0.00 -1.84 0.00 0.00 35.03 34.40 3g5u n LYS 1146CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3g5u h GLU 1147N 0.00 0.00 -0.37 1.97 4.57 -0.23 0.47 114.58 120.99 3g5u h GLU 1147Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 3g5u h GLU 1147Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3g5u h GLU 1147CO 0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 179.01 177.67 3g5u h ALA 1148N 2.01 0.52 -0.13 2.92 0.00 0.19 -3.44 119.26 121.32 3g5u h ALA 1148Ca 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 3g5u h ALA 1148Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3g5u h ALA 1148CO 0.00 0.44 -0.03 0.09 0.00 0.00 0.00 179.25 179.75 3g5u n ASN 1149N -4.30 -2.54 -0.14 0.00 5.03 0.16 -4.70 115.26 108.77 3g5u n ASN 1149Ca -0.02 0.02 0.11 0.00 0.87 0.00 0.00 54.58 55.56 3g5u n ASN 1149Cb 0.40 -0.84 0.03 0.00 -1.02 0.00 0.00 39.78 38.36 3g5u n ASN 1149CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3g5u n ILE 1150N -3.33 0.00 0.08 2.41 0.13 -1.03 -4.01 119.36 113.62 3g5u n ILE 1150Ca -0.02 -0.07 0.18 0.00 -1.10 0.00 0.00 62.75 61.74 3g5u n ILE 1150Cb 0.22 0.85 0.71 0.00 -0.84 0.00 0.00 39.64 40.58 3g5u n ILE 1150CO 0.00 0.00 0.00 -0.74 2.80 0.00 0.00 176.55 178.61 3g5u h HIS 1151N 0.71 0.00 -0.52 9.51 2.76 -1.69 0.14 115.15 126.05 3g5u h HIS 1151Ca 0.00 0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.32 3g5u h HIS 1151Cb 0.56 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 3g5u h HIS 1151CO 0.00 0.00 0.40 1.96 -1.30 0.00 0.00 177.93 178.99 3g5u h GLN 1152N 0.00 0.00 0.00 5.26 4.20 -1.86 1.11 115.11 123.82 3g5u h GLN 1152Ca 0.18 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.58 3g5u h GLN 1152Cb 0.77 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.50 3g5u h GLN 1152CO -0.00 0.00 -1.88 1.19 -0.67 0.00 0.00 178.83 177.47 3g5u n PHE 1153N -4.26 0.74 -0.05 2.96 3.01 0.42 -4.26 117.46 116.02 3g5u n PHE 1153Ca 0.10 0.27 -0.09 0.00 1.01 0.00 0.00 57.45 58.73 3g5u n PHE 1153Cb 0.62 -1.14 0.06 0.00 -0.01 0.00 0.00 39.48 39.01 3g5u n PHE 1153CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3g5u h ILE 1154N 0.00 1.29 -0.16 4.37 5.03 0.96 -3.12 117.51 125.87 3g5u h ILE 1154Ca -0.35 -1.58 0.05 0.00 -0.12 0.00 0.00 64.86 62.86 3g5u h ILE 1154Cb 2.07 1.50 -0.07 0.00 -3.03 0.00 0.00 36.82 37.29 3g5u h ILE 1154CO 0.07 0.51 -0.35 0.44 -0.68 0.00 0.00 178.15 178.13 3g5u h ASP 1155N 0.57 -1.11 0.00 1.72 3.32 0.77 -3.40 116.42 118.30 3g5u h ASP 1155Ca 0.05 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3g5u h ASP 1155Cb 0.94 0.47 0.00 0.00 0.22 0.00 0.00 39.33 40.96 3g5u h ASP 1155CO 0.09 -0.38 0.00 -1.54 -1.72 0.00 0.00 179.24 175.69 3g5u n SER 1156N -5.42 0.00 0.00 6.45 3.41 -1.25 -4.96 113.62 111.85 3g5u n SER 1156Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3g5u n SER 1156Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3g5u n SER 1156CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3g5u n LEU 1157N -1.09 0.00 0.00 1.04 7.99 -1.18 -3.73 117.00 120.03 3g5u n LEU 1157Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3g5u n LEU 1157Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3g5u n LEU 1157CO 0.00 0.00 0.00 -2.65 -1.51 0.00 0.00 177.39 173.23 3g5u n PRO 1158N 0.27 0.00 -0.43 3.23 -0.02 -1.26 -0.01 135.00 136.78 3g5u n PRO 1158Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3g5u n PRO 1158Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3g5u n PRO 1158CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3g5u n ASP 1159N 0.00 -1.17 0.00 2.55 10.43 -1.26 -4.51 116.55 122.59 3g5u n ASP 1159Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3g5u n ASP 1159Cb 0.00 -1.89 0.00 0.00 1.84 0.00 0.00 41.12 41.07 3g5u n ASP 1159CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3g5u n LYS 1160N -0.49 0.00 -0.42 -1.24 5.02 0.98 -0.69 118.16 121.33 3g5u n LYS 1160Ca 0.00 0.00 0.36 0.00 -2.02 0.00 0.00 58.31 56.65 3g5u n LYS 1160Cb 0.10 0.00 0.63 0.00 -0.02 0.00 0.00 35.03 35.74 3g5u n LYS 1160CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3g5u h TYR 1161N 0.00 0.59 0.00 2.13 0.99 -1.86 0.30 116.97 119.13 3g5u h TYR 1161Ca 0.00 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 3g5u h TYR 1161Cb 0.00 -0.14 -0.00 0.00 1.00 0.00 0.00 36.73 37.59 3g5u h TYR 1161CO 0.00 -0.26 -0.03 -0.91 -0.00 0.00 0.00 178.16 176.97 3g5u h ASN 1162N 0.08 0.00 -1.75 3.88 2.35 -1.25 -2.09 115.58 116.79 3g5u h ASN 1162Ca 0.83 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.96 3g5u h ASN 1162Cb 2.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.88 3g5u h ASN 1162CO -0.49 0.03 1.36 0.41 -1.65 0.00 0.00 177.43 177.09 3g5u n THR 1163N -3.75 0.38 -0.99 2.81 -1.04 0.11 -4.65 114.28 107.16 3g5u n THR 1163Ca -0.03 -0.30 -0.32 0.00 -2.04 0.00 0.00 64.05 61.36 3g5u n THR 1163Cb 0.12 -2.12 0.14 0.00 -1.82 0.00 0.00 70.33 66.64 3g5u n THR 1163CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3g5u s ARG 1164N 5.67 1.50 0.13 -2.82 3.52 -1.26 -1.69 118.95 123.99 3g5u s ARG 1164Ca 1.01 1.60 0.07 0.00 -0.13 0.00 0.00 55.73 58.28 3g5u s ARG 1164Cb -0.58 -1.78 0.37 0.00 -1.56 0.00 0.00 34.95 31.40 3g5u s ARG 1164CO 0.44 -2.29 1.11 1.33 -0.81 0.00 0.00 175.30 175.08 3g5u n VAL 1165N -3.66 1.22 -2.72 7.11 0.24 -0.68 -4.68 118.33 115.17 3g5u n VAL 1165Ca 0.12 0.60 -0.03 0.00 -2.04 0.00 0.00 64.34 62.99 3g5u n VAL 1165Cb 0.51 -1.60 -0.03 0.00 -1.47 0.00 0.00 33.84 31.26 3g5u n VAL 1165CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g5u n GLY 1166N -1.34 -4.19 2.12 7.63 0.00 -1.26 -3.11 105.19 105.04 3g5u n GLY 1166Ca -0.00 1.21 -0.06 0.00 0.00 0.00 0.00 46.02 47.16 3g5u n GLY 1166CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3g5u n ASP 1167N 1.55 -2.69 0.00 1.61 2.03 -1.26 -3.36 116.55 114.43 3g5u n ASP 1167Ca -0.26 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.00 3g5u n ASP 1167Cb 0.42 -1.81 0.00 0.00 -0.72 0.00 0.00 41.12 39.01 3g5u n ASP 1167CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3g5u n LYS 1168N -1.66 -0.18 0.00 -0.67 4.01 -1.26 -4.33 118.16 114.08 3g5u n LYS 1168Ca -0.05 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 3g5u n LYS 1168Cb 0.54 -3.16 0.00 0.00 -0.51 0.00 0.00 35.03 31.90 3g5u n LYS 1168CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3g5u n GLY 1169N -2.02 1.47 2.27 0.72 0.00 -1.18 -4.72 105.19 101.72 3g5u n GLY 1169Ca 0.00 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 3g5u n GLY 1169CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3g5u n THR 1170N 0.00 0.00 0.00 2.61 -1.04 -1.26 -3.80 114.28 110.79 3g5u n THR 1170Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 3g5u n THR 1170Cb 0.00 -0.06 0.00 0.00 -1.82 0.00 0.00 70.33 68.45 3g5u n THR 1170CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g5u n GLN 1171N 3.91 0.00 -3.64 -2.82 10.64 -1.26 -4.89 117.38 119.32 3g5u n GLN 1171Ca 0.44 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.52 3g5u n GLN 1171Cb 0.08 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.39 3g5u n GLN 1171CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3g5u s LEU 1172N 0.00 -0.78 0.65 2.61 1.43 -1.25 -5.14 118.68 116.20 3g5u s LEU 1172Ca 0.00 1.33 -0.18 0.00 -1.03 0.00 0.00 54.13 54.26 3g5u s LEU 1172Cb 0.00 2.27 -0.02 0.00 0.03 0.00 0.00 46.19 48.47 3g5u s LEU 1172CO 0.00 -0.22 1.15 -0.24 0.23 0.00 0.00 176.35 177.27 3g5u n SER 1173N 3.53 1.43 0.07 2.29 2.88 -1.26 -4.77 113.62 117.80 3g5u n SER 1173Ca -0.17 0.79 0.18 0.00 -1.33 0.00 0.00 58.87 58.34 3g5u n SER 1173Cb 0.57 -1.49 0.71 0.00 -0.75 0.00 0.00 64.21 63.25 3g5u n SER 1173CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3g5u h GLY 1174N 0.35 0.00 0.47 0.46 0.00 -1.98 -1.61 103.07 100.76 3g5u h GLY 1174Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3g5u h GLY 1174CO 0.51 0.00 -0.42 -1.33 0.00 0.00 0.00 176.54 175.30 3g5u h GLY 1175N 0.00 -0.95 0.82 4.60 0.00 -1.89 0.72 103.07 106.37 3g5u h GLY 1175Ca 0.19 0.49 0.04 0.00 0.00 0.00 0.00 47.33 48.05 3g5u h GLY 1175CO -0.00 -0.31 0.37 1.46 0.00 0.00 0.00 176.54 178.06 3g5u h GLN 1176N -0.78 0.70 -0.20 4.80 7.50 -1.71 -1.61 115.11 123.81 3g5u h GLN 1176Ca -0.02 -0.04 0.05 0.00 0.50 0.00 0.00 58.65 59.14 3g5u h GLN 1176Cb 0.73 -0.16 -0.07 0.00 0.05 0.00 0.00 27.48 28.03 3g5u h GLN 1176CO -0.13 0.47 -0.43 0.87 -1.50 0.00 0.00 178.83 178.11 3g5u h LYS 1177N 0.72 -0.43 -0.72 1.46 1.57 -0.35 0.35 116.57 119.17 3g5u h LYS 1177Ca 0.26 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.21 3g5u h LYS 1177Cb 0.07 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 3g5u h LYS 1177CO -0.12 -0.29 0.48 1.96 -0.57 0.00 0.00 179.45 180.91 3g5u h GLN 1178N -0.45 0.38 -0.46 3.15 1.08 0.90 0.35 115.11 120.05 3g5u h GLN 1178Ca 0.09 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.30 3g5u h GLN 1178Cb 0.62 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.92 3g5u h GLN 1178CO -0.45 0.25 0.25 0.00 -0.95 0.00 0.00 178.83 177.94 3g5u h ARG 1179N 0.39 0.49 0.21 1.46 3.08 0.58 -0.90 114.38 119.70 3g5u h ARG 1179Ca 0.35 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 3g5u h ARG 1179Cb 0.81 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3g5u h ARG 1179CO -0.11 0.32 -0.10 0.82 -1.07 0.00 0.00 179.97 179.83 3g5u h ILE 1180N 0.50 0.86 -0.66 2.04 2.04 0.12 -1.50 117.51 120.90 3g5u h ILE 1180Ca 0.19 -0.41 0.12 0.00 1.00 0.00 0.00 64.86 65.76 3g5u h ILE 1180Cb 0.07 1.10 -0.12 0.00 -0.74 0.00 0.00 36.82 37.12 3g5u h ILE 1180CO -0.12 0.09 -0.30 0.00 0.00 0.00 0.00 178.15 177.82 3g5u h ALA 1181N 0.24 0.10 -0.88 1.87 0.00 -0.91 0.93 119.26 120.60 3g5u h ALA 1181Ca -0.03 0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.18 3g5u h ALA 1181Cb 0.37 0.75 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 3g5u h ALA 1181CO 0.05 -0.61 0.53 0.82 0.00 0.00 0.00 179.25 180.04 3g5u h ILE 1182N -0.11 0.94 0.00 0.00 5.03 -1.09 -1.00 117.51 121.28 3g5u h ILE 1182Ca 0.27 -0.30 0.00 0.00 -0.12 0.00 0.00 64.86 64.71 3g5u h ILE 1182Cb 0.55 -0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.32 3g5u h ILE 1182CO -0.73 0.16 0.00 0.00 -0.68 0.00 0.00 178.15 176.90 3g5u n ALA 1183N -2.37 0.00 0.00 1.87 0.00 0.29 0.74 120.51 121.05 3g5u n ALA 1183Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3g5u n ALA 1183Cb 0.28 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.79 3g5u n ALA 1183CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3g5u n ARG 1184N -0.59 0.00 0.00 0.00 0.63 0.80 0.10 116.66 117.60 3g5u n ARG 1184Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3g5u n ARG 1184Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3g5u n ARG 1184CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3g5u n ALA 1185N -2.61 -0.28 0.00 5.13 0.00 -0.42 -1.61 120.51 120.73 3g5u n ALA 1185Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3g5u n ALA 1185Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3g5u n ALA 1185CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3g5u n LEU 1186N -1.39 0.00 0.04 0.00 -0.00 0.29 0.27 117.00 116.21 3g5u n LEU 1186Ca 0.00 0.08 -0.11 0.00 -0.00 0.00 0.00 56.01 55.97 3g5u n LEU 1186Cb 0.00 -0.08 -0.13 0.00 -0.00 0.00 0.00 43.42 43.21 3g5u n LEU 1186CO 0.00 -0.08 -0.22 0.58 -0.00 0.00 0.00 177.39 177.67 3g5u h VAL 1187N 0.00 1.27 0.00 1.47 2.07 0.94 -3.09 116.25 118.91 3g5u h VAL 1187Ca 0.00 -2.99 -0.00 0.00 0.82 0.00 0.00 66.70 64.53 3g5u h VAL 1187Cb 0.04 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 3g5u h VAL 1187CO 0.00 0.79 -0.02 -0.09 0.02 0.00 0.00 177.57 178.27 3g5u h ARG 1188N 0.03 0.00 -5.79 1.57 2.43 0.47 -3.48 114.38 109.61 3g5u h ARG 1188Ca -0.17 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.67 3g5u h ARG 1188Cb 1.93 0.00 0.15 0.00 -0.42 0.00 0.00 29.97 31.63 3g5u h ARG 1188CO 0.13 0.02 -0.89 1.04 -1.51 0.00 0.00 179.97 178.76 3g5u n GLN 1189N -3.12 -1.87 0.00 0.20 1.13 -0.88 -4.99 117.38 107.85 3g5u n GLN 1189Ca 0.01 0.69 0.00 0.00 -1.94 0.00 0.00 57.00 55.76 3g5u n GLN 1189Cb 0.35 -5.10 0.00 0.00 0.11 0.00 0.00 30.24 25.60 3g5u n GLN 1189CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3g5u n PRO 1190N -3.65 2.70 0.00 -1.09 -0.02 -1.26 -5.02 135.00 126.66 3g5u n PRO 1190Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3g5u n PRO 1190Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 3g5u n PRO 1190CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3g5u n HIS 1191N 0.00 0.00 -4.47 6.00 8.25 -1.26 -5.02 115.22 118.72 3g5u n HIS 1191Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 3g5u n HIS 1191Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 3g5u n HIS 1191CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3g5u s ILE 1192N -0.98 2.12 -0.05 1.59 -1.16 -1.20 0.03 121.20 121.55 3g5u s ILE 1192Ca 0.00 -2.25 -0.04 0.00 -0.51 0.00 0.00 60.65 57.85 3g5u s ILE 1192Cb 0.00 -2.43 0.02 0.00 0.61 0.00 0.00 42.46 40.66 3g5u s ILE 1192CO 0.00 -0.33 0.13 -0.76 -2.81 0.00 0.00 174.94 171.17 3g5u s LEU 1193N -3.51 1.43 -0.55 8.50 1.43 0.18 -1.86 118.68 124.29 3g5u s LEU 1193Ca 0.30 0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.63 3g5u s LEU 1193Cb 0.00 0.42 0.14 0.00 0.03 0.00 0.00 46.19 46.78 3g5u s LEU 1193CO 0.14 -0.06 0.35 -0.76 0.23 0.00 0.00 176.35 176.25 3g5u s LEU 1194N 0.20 5.15 -1.05 1.79 1.43 0.45 0.89 118.68 127.55 3g5u s LEU 1194Ca -0.01 -2.63 -0.12 0.00 -1.03 0.00 0.00 54.13 50.33 3g5u s LEU 1194Cb -0.02 -1.82 0.22 0.00 0.03 0.00 0.00 46.19 44.60 3g5u s LEU 1194CO -0.01 -0.40 1.11 -0.76 0.23 0.00 0.00 176.35 176.53 3g5u s LEU 1195N 0.26 5.97 -1.08 1.79 1.02 -0.65 -1.68 118.68 124.32 3g5u s LEU 1195Ca 0.14 -3.06 -0.22 0.00 0.02 0.00 0.00 54.13 51.01 3g5u s LEU 1195Cb -0.21 -2.28 0.02 0.00 0.02 0.00 0.00 46.19 43.74 3g5u s LEU 1195CO -0.03 -0.55 1.66 -0.62 0.02 0.00 0.00 176.35 176.83 3g5u s ASP 1196N 2.15 6.17 -0.51 2.29 -1.08 -0.74 -1.52 116.67 123.44 3g5u s ASP 1196Ca 0.31 -1.57 0.00 0.00 -0.52 0.00 0.00 52.55 50.77 3g5u s ASP 1196Cb -0.08 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 3g5u s ASP 1196CO -0.07 -1.82 0.00 -0.62 0.52 0.00 0.00 175.17 173.18 3g5u n GLU 1197N 8.70 -1.36 0.00 4.34 1.02 0.03 -2.80 120.64 130.56 3g5u n GLU 1197Ca 0.39 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 3g5u n GLU 1197Cb 0.49 -4.45 0.00 0.00 -0.02 0.00 0.00 31.44 27.46 3g5u n GLU 1197CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g5u n ALA 1198N -0.75 0.00 -2.28 0.62 0.00 -1.26 -2.39 120.51 114.44 3g5u n ALA 1198Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.00 3g5u n ALA 1198Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 3g5u n ALA 1198CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3g5u s THR 1199N 0.00 3.54 0.00 0.00 -4.23 -1.26 -4.03 115.64 109.66 3g5u s THR 1199Ca 0.00 0.22 0.09 0.00 -1.18 0.00 0.00 61.69 60.82 3g5u s THR 1199Cb 0.00 -4.42 0.15 0.00 1.34 0.00 0.00 72.50 69.57 3g5u s THR 1199CO 0.00 -1.37 1.06 -0.24 -0.54 0.00 0.00 174.62 173.53 3g5u n SER 1200N 11.18 0.35 -2.91 3.99 2.88 -1.01 -4.92 113.62 123.18 3g5u n SER 1200Ca 0.14 -1.99 0.03 0.00 -1.33 0.00 0.00 58.87 55.72 3g5u n SER 1200Cb 0.50 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 3g5u n SER 1200CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3g5u s ALA 1201N 0.00 -4.26 0.00 -1.46 0.00 -1.26 -5.14 121.76 109.64 3g5u s ALA 1201Ca 0.12 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3g5u s ALA 1201Cb 0.14 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.31 3g5u s ALA 1201CO -0.06 -2.35 0.00 -0.11 0.00 0.00 0.00 175.76 173.24 3g5u n LEU 1202N 4.20 0.00 0.00 0.00 7.94 -1.26 -4.86 117.00 123.02 3g5u n LEU 1202Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 3g5u n LEU 1202Cb 0.61 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.57 3g5u n LEU 1202CO -0.13 0.00 0.60 -0.90 -1.11 0.00 0.00 177.39 175.85 3g5u n ASP 1203N 0.00 -0.86 0.00 1.96 3.85 -1.26 -5.00 116.55 115.25 3g5u n ASP 1203Ca 0.00 -1.31 0.00 0.00 -0.71 0.00 0.00 54.79 52.77 3g5u n ASP 1203Cb 0.00 1.36 0.00 0.00 -1.35 0.00 0.00 41.12 41.13 3g5u n ASP 1203CO 0.00 0.00 0.00 1.07 -1.01 0.00 0.00 177.20 177.26 3g5u n THR 1204N -0.52 0.00 1.80 2.12 5.66 -1.26 0.32 114.28 122.41 3g5u n THR 1204Ca 0.01 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.16 3g5u n THR 1204Cb 0.35 0.00 0.76 0.00 -1.55 0.00 0.00 70.33 69.90 3g5u n THR 1204CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3g5u n GLU 1205N 0.00 1.25 -0.08 1.09 1.02 -1.26 -1.49 120.64 121.17 3g5u n GLU 1205Ca 0.00 -0.37 -0.07 0.00 -0.02 0.00 0.00 57.16 56.70 3g5u n GLU 1205Cb 0.00 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 3g5u n GLU 1205CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3g5u n SER 1206N -0.54 1.85 0.00 1.62 7.64 -0.90 -1.60 113.62 121.69 3g5u n SER 1206Ca 0.21 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.63 3g5u n SER 1206Cb 0.20 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 3g5u n SER 1206CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3g5u n GLU 1207N -4.56 0.00 -0.06 1.43 1.02 0.15 -1.20 120.64 117.43 3g5u n GLU 1207Ca -0.11 0.43 -0.02 0.00 -0.02 0.00 0.00 57.16 57.45 3g5u n GLU 1207Cb 0.37 -1.15 -0.01 0.00 -0.02 0.00 0.00 31.44 30.63 3g5u n GLU 1207CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3g5u h LYS 1208N 0.00 -0.00 -1.05 3.49 3.11 -1.44 -0.04 116.57 120.63 3g5u h LYS 1208Ca 0.00 0.00 0.34 0.00 -2.81 0.00 0.00 60.65 58.18 3g5u h LYS 1208Cb 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 31.09 3g5u h LYS 1208CO 0.00 -0.00 0.62 -0.24 -2.81 0.00 0.00 179.45 177.02 3g5u h VAL 1209N -0.00 0.29 -0.31 2.00 3.04 -1.22 0.57 116.25 120.62 3g5u h VAL 1209Ca 0.02 -0.10 -0.09 0.00 -1.01 0.00 0.00 66.70 65.53 3g5u h VAL 1209Cb 0.06 -0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 29.30 3g5u h VAL 1209CO -0.13 0.05 -0.17 0.58 -1.01 0.00 0.00 177.57 176.89 3g5u h VAL 1210N 0.29 1.25 0.00 1.51 2.07 0.45 0.58 116.25 122.40 3g5u h VAL 1210Ca 0.74 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 3g5u h VAL 1210Cb 1.81 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 3g5u h VAL 1210CO -0.55 0.38 -0.15 1.56 0.02 0.00 0.00 177.57 178.83 3g5u h GLN 1211N 0.50 0.00 0.10 1.57 1.08 0.11 0.63 115.11 119.10 3g5u h GLN 1211Ca 0.08 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.00 3g5u h GLN 1211Cb 0.59 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.04 3g5u h GLN 1211CO 0.04 0.15 -1.20 1.49 -0.95 0.00 0.00 178.83 178.36 3g5u h GLU 1212N 0.00 0.59 0.00 1.46 4.22 -0.44 0.11 114.58 120.51 3g5u h GLU 1212Ca -0.00 -0.76 0.00 0.00 0.08 0.00 0.00 59.36 58.68 3g5u h GLU 1212Cb 0.49 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3g5u h GLU 1212CO 0.02 1.33 0.00 0.00 -2.18 0.00 0.00 179.01 178.18 3g5u n ALA 1213N -2.65 -0.09 -0.56 2.92 0.00 0.06 -1.40 120.51 118.79 3g5u n ALA 1213Ca -0.12 0.00 0.43 0.00 0.00 0.00 0.00 53.44 53.74 3g5u n ALA 1213Cb 0.96 0.00 0.66 0.00 0.00 0.00 0.00 19.45 21.08 3g5u n ALA 1213CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3g5u n LEU 1214N -0.86 0.02 0.00 0.00 0.00 0.21 0.76 117.00 117.14 3g5u n LEU 1214Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 56.01 56.88 3g5u n LEU 1214Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 43.42 42.99 3g5u n LEU 1214CO 0.00 -0.88 0.17 -0.67 0.00 0.00 0.00 177.39 176.01 3g5u n ASP 1215N -3.69 0.00 0.15 1.96 2.03 0.39 -1.46 116.55 115.93 3g5u n ASP 1215Ca 0.36 0.34 0.09 0.00 0.52 0.00 0.00 54.79 56.11 3g5u n ASP 1215Cb 1.62 0.00 0.47 0.00 -0.72 0.00 0.00 41.12 42.49 3g5u n ASP 1215CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3g5u n LYS 1216N -0.41 0.11 0.10 -0.67 4.76 0.01 0.14 118.16 122.20 3g5u n LYS 1216Ca 0.00 0.60 -0.04 0.00 -2.87 0.00 0.00 58.31 56.00 3g5u n LYS 1216Cb 0.00 -1.99 0.14 0.00 -1.84 0.00 0.00 35.03 31.35 3g5u n LYS 1216CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3g5u h ALA 1217N 1.69 0.90 -3.43 7.82 0.00 0.41 -3.44 119.26 123.21 3g5u h ALA 1217Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3g5u h ALA 1217Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3g5u h ALA 1217CO 0.00 0.72 0.00 2.89 0.00 0.00 0.00 179.25 182.86 3g5u n ARG 1218N -3.87 1.84 0.00 0.00 0.00 0.38 -4.50 116.66 110.51 3g5u n ARG 1218Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 3g5u n ARG 1218Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.06 3g5u n ARG 1218CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3g5u n GLU 1219N -0.49 0.00 0.08 2.89 4.07 -1.26 -4.25 120.64 121.68 3g5u n GLU 1219Ca 0.00 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.22 3g5u n GLU 1219Cb 0.00 -2.38 0.11 0.00 -0.06 0.00 0.00 31.44 29.11 3g5u n GLU 1219CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3g5u h GLY 1220N 0.00 0.00 -2.96 8.31 0.00 -1.79 -3.44 103.07 103.19 3g5u h GLY 1220Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3g5u h GLY 1220CO 0.00 0.00 0.03 1.09 0.00 0.00 0.00 176.54 177.66 3g5u s ARG 1221N -3.23 1.19 0.35 4.80 3.03 -1.26 -4.80 118.95 119.03 3g5u s ARG 1221Ca 0.04 -0.67 -0.27 0.00 2.03 0.00 0.00 55.73 56.86 3g5u s ARG 1221Cb 0.12 0.52 -0.09 0.00 -1.03 0.00 0.00 34.95 34.46 3g5u s ARG 1221CO 0.75 -0.49 1.23 0.99 -1.13 0.00 0.00 175.30 176.64 3g5u s THR 1222N -3.80 2.97 -0.27 4.99 2.01 0.10 -3.66 115.64 117.99 3g5u s THR 1222Ca 0.04 0.91 -0.13 0.00 0.31 0.00 0.00 61.69 62.82 3g5u s THR 1222Cb 0.00 -3.56 0.09 0.00 0.01 0.00 0.00 72.50 69.05 3g5u s THR 1222CO -0.10 0.17 0.63 0.00 -0.69 0.00 0.00 174.62 174.63 3g5u s ILE 1224N 1.98 4.63 -0.42 0.00 1.01 0.26 -1.42 121.20 127.24 3g5u s ILE 1224Ca -0.09 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 59.95 3g5u s ILE 1224Cb -0.08 -4.49 0.02 0.00 0.01 0.00 0.00 42.46 37.93 3g5u s ILE 1224CO -0.19 -1.10 0.56 0.54 0.00 0.00 0.00 174.94 174.75 3g5u s VAL 1225N 3.27 4.94 0.05 2.92 0.11 -0.61 -1.63 120.40 129.44 3g5u s VAL 1225Ca 0.19 0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.34 3g5u s VAL 1225Cb -0.18 -4.11 -0.03 0.00 -1.53 0.00 0.00 36.38 30.52 3g5u s VAL 1225CO 0.12 -0.47 -0.18 0.27 -3.33 0.00 0.00 175.10 171.50 3g5u s ILE 1226N 2.54 2.79 0.10 7.04 -5.25 -0.58 -1.82 121.20 126.03 3g5u s ILE 1226Ca 0.19 -1.21 -0.25 0.00 -0.99 0.00 0.00 60.65 58.38 3g5u s ILE 1226Cb -0.15 -2.18 0.09 0.00 2.95 0.00 0.00 42.46 43.16 3g5u s ILE 1226CO 0.16 0.32 1.13 0.00 -1.79 0.00 0.00 174.94 174.76 3g5u s ALA 1227N -0.94 -1.91 -0.57 2.27 0.00 -0.87 -0.79 121.76 118.95 3g5u s ALA 1227Ca 0.15 -0.05 0.12 0.00 0.00 0.00 0.00 51.96 52.17 3g5u s ALA 1227Cb -0.10 0.73 0.33 0.00 0.00 0.00 0.00 23.12 24.08 3g5u s ALA 1227CO 0.06 -1.08 1.27 1.58 0.00 0.00 0.00 175.76 177.58 3g5u n HIS 1228N -0.70 0.52 -1.97 0.00 -0.00 -1.26 -4.63 115.22 107.18 3g5u n HIS 1228Ca -0.02 -0.63 -0.40 0.00 0.46 0.00 0.00 57.72 57.12 3g5u n HIS 1228Cb 0.60 -0.12 -0.01 0.00 -0.12 0.00 0.00 29.99 30.35 3g5u n HIS 1228CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3g5u n ARG 1229N 0.01 4.32 -0.15 1.57 5.12 -1.26 -4.72 116.66 121.54 3g5u n ARG 1229Ca 0.13 -3.33 0.27 0.00 -1.93 0.00 0.00 57.85 52.99 3g5u n ARG 1229Cb 0.55 -2.71 0.51 0.00 -1.16 0.00 0.00 32.46 29.65 3g5u n ARG 1229CO 0.00 0.00 0.00 1.37 -1.93 0.00 0.00 177.63 177.07 3g5u h LEU 1230N 6.18 0.00 0.00 0.55 -0.00 -1.99 -1.82 115.31 118.23 3g5u h LEU 1230Ca 0.67 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.55 3g5u h LEU 1230Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 3g5u h LEU 1230CO 1.54 0.00 -0.00 0.77 -0.00 0.00 0.00 178.44 180.75 3g5u h SER 1231N 0.00 -0.00 0.00 0.17 4.64 -1.99 -3.37 113.55 113.00 3g5u h SER 1231Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3g5u h SER 1231Cb 2.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.64 3g5u h SER 1231CO -0.00 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.32 3g5u n THR 1232N -2.07 0.00 0.62 2.95 -2.24 -0.86 -2.89 114.28 109.79 3g5u n THR 1232Ca -0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3g5u n THR 1232Cb 0.00 -0.32 0.42 0.00 -2.10 0.00 0.00 70.33 68.33 3g5u n THR 1232CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g5u n ILE 1233N -0.59 0.60 -0.35 2.28 0.13 -0.74 -4.11 119.36 116.58 3g5u n ILE 1233Ca 0.02 -0.23 0.26 0.00 -1.10 0.00 0.00 62.75 61.70 3g5u n ILE 1233Cb 0.01 -0.63 0.54 0.00 -0.84 0.00 0.00 39.64 38.72 3g5u n ILE 1233CO 0.00 0.00 0.00 1.56 2.80 0.00 0.00 176.55 180.91 3g5u h GLN 1234N 0.00 0.30 -2.14 9.51 4.20 -1.78 -2.77 115.11 122.44 3g5u h GLN 1234Ca 0.00 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.55 3g5u h GLN 1234Cb 0.70 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.36 3g5u h GLN 1234CO 0.00 0.20 -0.22 0.27 -0.67 0.00 0.00 178.83 178.41 3g5u n ASN 1235N -4.65 4.42 -4.71 1.46 6.94 -1.26 -4.84 115.26 112.62 3g5u n ASN 1235Ca 0.28 -2.31 -0.30 0.00 -0.02 0.00 0.00 54.58 52.24 3g5u n ASN 1235Cb 1.01 -1.16 -0.07 0.00 -2.36 0.00 0.00 39.78 37.19 3g5u n ASN 1235CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3g5u s ALA 1236N 1.20 3.35 -0.06 -2.53 0.00 -1.05 -5.05 121.76 117.62 3g5u s ALA 1236Ca 0.49 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 3g5u s ALA 1236Cb 0.24 -1.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 3g5u s ALA 1236CO 0.00 0.68 0.05 -0.44 0.00 0.00 0.00 175.76 176.05 3g5u h ASP 1237N 3.28 -0.03 -3.67 0.00 3.45 -1.75 -3.44 116.42 114.26 3g5u h ASP 1237Ca -0.47 0.00 -0.63 0.00 0.43 0.00 0.00 57.03 56.36 3g5u h ASP 1237Cb 1.17 0.01 -0.38 0.00 -0.56 0.00 0.00 39.33 39.56 3g5u h ASP 1237CO 0.61 0.29 -0.78 -0.22 -1.57 0.00 0.00 179.24 177.57 3g5u s LEU 1238N -6.96 2.95 -0.39 1.55 2.96 -1.19 -4.66 118.68 112.93 3g5u s LEU 1238Ca -0.00 -1.34 -0.19 0.00 -0.22 0.00 0.00 54.13 52.37 3g5u s LEU 1238Cb 0.00 -1.28 0.01 0.00 0.50 0.00 0.00 46.19 45.42 3g5u s LEU 1238CO 0.01 -0.25 0.55 -0.63 -1.32 0.00 0.00 176.35 174.72 3g5u s ILE 1239N 1.30 4.96 -0.14 6.68 1.09 -0.58 -0.98 121.20 133.52 3g5u s ILE 1239Ca -0.04 0.17 -0.05 0.00 -1.10 0.00 0.00 60.65 59.63 3g5u s ILE 1239Cb -0.19 -4.06 -0.04 0.00 -1.06 0.00 0.00 42.46 37.11 3g5u s ILE 1239CO -0.07 -0.38 0.04 -0.69 -0.10 0.00 0.00 174.94 173.74 3g5u s VAL 1240N 2.51 4.57 -0.42 2.92 1.01 0.01 -1.82 120.40 129.18 3g5u s VAL 1240Ca 0.19 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 3g5u s VAL 1240Cb -0.15 -3.00 0.07 0.00 0.00 0.00 0.00 36.38 33.30 3g5u s VAL 1240CO 0.15 0.52 0.27 -0.69 0.00 0.00 0.00 175.10 175.36 3g5u s VAL 1241N -0.14 4.36 -0.12 2.92 1.01 -0.61 -1.75 120.40 126.07 3g5u s VAL 1241Ca 0.06 -1.32 -0.07 0.00 0.00 0.00 0.00 61.98 60.65 3g5u s VAL 1241Cb -0.12 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3g5u s VAL 1241CO 0.02 -0.49 0.14 -0.51 0.00 0.00 0.00 175.10 174.26 3g5u s ILE 1242N 1.46 5.50 -0.63 2.22 1.10 -0.75 -2.00 121.20 128.11 3g5u s ILE 1242Ca 0.03 0.20 -0.03 0.00 -0.51 0.00 0.00 60.65 60.35 3g5u s ILE 1242Cb -0.23 -3.40 0.16 0.00 0.15 0.00 0.00 42.46 39.15 3g5u s ILE 1242CO 0.03 0.62 0.44 -1.58 -2.11 0.00 0.00 174.94 172.34 3g5u s GLN 1243N -1.04 2.56 0.00 3.50 2.00 0.97 -3.54 119.66 124.11 3g5u s GLN 1243Ca 0.15 -2.54 0.00 0.00 -2.00 0.00 0.00 55.36 50.97 3g5u s GLN 1243Cb -0.12 -3.73 0.00 0.00 0.80 0.00 0.00 33.01 29.96 3g5u s GLN 1243CO 0.04 -1.17 0.00 0.09 -0.50 0.00 0.00 175.29 173.75 3g5u n ASN 1244N 3.47 0.00 0.00 6.67 3.02 -1.26 -1.66 115.26 125.50 3g5u n ASN 1244Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 3g5u n ASN 1244Cb 0.38 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 3g5u n ASN 1244CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g5u n GLY 1245N 0.52 3.04 2.87 7.41 0.00 0.11 -4.88 105.19 114.26 3g5u n GLY 1245Ca 0.00 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 3g5u n GLY 1245CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g5u s LYS 1246N 0.00 0.49 -0.22 1.61 0.00 -0.66 -1.45 119.74 119.50 3g5u s LYS 1246Ca 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 55.97 55.68 3g5u s LYS 1246Cb 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 37.83 37.26 3g5u s LYS 1246CO 0.00 -0.07 0.91 0.54 0.00 0.00 0.00 175.35 176.73 3g5u s VAL 1247N 0.77 4.79 -0.12 1.79 0.11 -1.26 -0.02 120.40 126.46 3g5u s VAL 1247Ca -0.09 1.76 0.08 0.00 -2.93 0.00 0.00 61.98 60.81 3g5u s VAL 1247Cb -0.12 -4.20 -0.13 0.00 -1.53 0.00 0.00 36.38 30.41 3g5u s VAL 1247CO -0.01 -0.09 0.01 1.17 -3.33 0.00 0.00 175.10 172.85 3g5u n LYS 1248N 5.96 1.82 -4.43 1.54 4.81 -0.85 -4.93 118.16 122.09 3g5u n LYS 1248Ca 0.08 0.01 -0.21 0.00 -0.87 0.00 0.00 58.31 57.32 3g5u n LYS 1248Cb 0.47 -1.29 -0.10 0.00 0.02 0.00 0.00 35.03 34.14 3g5u n LYS 1248CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3g5u s GLU 1249N -2.27 1.68 0.00 1.64 2.02 -0.84 -5.01 118.70 115.91 3g5u s GLU 1249Ca -0.08 -1.96 0.00 0.00 0.02 0.00 0.00 54.97 52.95 3g5u s GLU 1249Cb 0.04 -0.62 0.00 0.00 0.10 0.00 0.00 34.13 33.65 3g5u s GLU 1249CO 0.43 -0.31 0.00 -2.39 0.02 0.00 0.00 175.26 173.01 3g5u n HIS 1250N -0.70 0.00 0.00 1.61 1.44 -1.26 -1.58 115.22 114.74 3g5u n HIS 1250Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 3g5u n HIS 1250Cb 0.66 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.77 3g5u n HIS 1250CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3g5u n GLY 1251N -0.62 0.71 3.92 -1.39 0.00 -0.76 -4.85 105.19 102.20 3g5u n GLY 1251Ca 0.00 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 3g5u n GLY 1251CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g5u s THR 1252N -3.09 4.80 0.00 2.61 -1.32 -1.26 -1.53 115.64 115.85 3g5u s THR 1252Ca 0.00 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 3g5u s THR 1252Cb 0.00 -3.81 0.00 0.00 -1.51 0.00 0.00 72.50 67.18 3g5u s THR 1252CO 0.00 -0.72 0.91 1.57 -2.21 0.00 0.00 174.62 174.17 3g5u n HIS 1253N -2.16 0.00 0.08 9.09 -0.00 -1.26 0.65 115.22 121.62 3g5u n HIS 1253Ca -0.00 0.00 0.17 0.00 0.46 0.00 0.00 57.72 58.35 3g5u n HIS 1253Cb 0.56 -0.41 0.69 0.00 -0.12 0.00 0.00 29.99 30.71 3g5u n HIS 1253CO 0.00 0.00 0.00 -0.56 0.46 0.00 0.00 176.34 176.24 3g5u h GLN 1254N 0.00 0.00 -0.33 1.57 -0.00 -1.97 0.36 115.11 114.73 3g5u h GLN 1254Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.53 3g5u h GLN 1254Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 3g5u h GLN 1254CO 0.00 0.00 -0.30 0.37 -0.00 0.00 0.00 178.83 178.90 3g5u h GLN 1255N 0.00 0.71 -0.25 0.06 4.15 -1.67 0.49 115.11 118.60 3g5u h GLN 1255Ca 0.18 -0.32 -0.08 0.00 0.77 0.00 0.00 58.65 59.21 3g5u h GLN 1255Cb 0.73 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 3g5u h GLN 1255CO -0.00 0.92 -0.14 -0.07 -1.93 0.00 0.00 178.83 177.60 3g5u h LEU 1256N 0.60 0.55 -0.87 -2.39 3.38 0.41 -1.63 115.31 115.37 3g5u h LEU 1256Ca 0.07 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 3g5u h LEU 1256Cb 0.81 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3g5u h LEU 1256CO 0.07 0.86 0.26 0.25 0.09 0.00 0.00 178.44 179.97 3g5u h LEU 1257N 0.25 1.01 -0.81 1.67 5.85 -0.66 0.18 115.31 122.79 3g5u h LEU 1257Ca 0.05 -0.16 0.18 0.00 0.84 0.00 0.00 57.88 58.79 3g5u h LEU 1257Cb 0.66 -0.26 -0.11 0.00 0.37 0.00 0.00 40.66 41.32 3g5u h LEU 1257CO 0.04 0.92 0.30 0.00 -0.34 0.00 0.00 178.44 179.35 3g5u h ALA 1258N 1.22 1.18 0.00 1.25 0.00 0.33 0.63 119.26 123.87 3g5u h ALA 1258Ca 0.24 0.15 -0.65 0.00 0.00 0.00 0.00 54.91 54.65 3g5u h ALA 1258Cb 0.24 0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.21 3g5u h ALA 1258CO -0.02 -0.30 3.58 1.04 0.00 0.00 0.00 179.25 183.56 3g5u n GLN 1259N -5.07 3.35 -1.66 0.00 3.00 0.62 -4.92 117.38 112.70 3g5u n GLN 1259Ca 0.17 -2.20 -0.55 0.00 -0.01 0.00 0.00 57.00 54.42 3g5u n GLN 1259Cb 0.53 -2.86 -0.07 0.00 0.00 0.00 0.00 30.24 27.84 3g5u n GLN 1259CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3g5u n LYS 1260N 4.19 1.18 0.00 -1.09 4.01 0.21 -4.49 118.16 122.17 3g5u n LYS 1260Ca 0.70 0.43 0.00 0.00 -0.51 0.00 0.00 58.31 58.93 3g5u n LYS 1260Cb 0.25 -2.10 0.00 0.00 -0.51 0.00 0.00 35.03 32.67 3g5u n LYS 1260CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3g5u n GLY 1261N 3.48 -0.64 0.00 0.72 0.00 -1.26 -4.96 105.19 102.53 3g5u n GLY 1261Ca 0.23 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.52 3g5u n GLY 1261CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3g5u n ILE 1262N 0.00 0.00 -0.40 -0.61 -0.00 -1.26 -0.20 119.36 116.88 3g5u n ILE 1262Ca 0.00 1.12 0.34 0.00 -0.00 0.00 0.00 62.75 64.20 3g5u n ILE 1262Cb 0.00 -2.05 0.65 0.00 -0.00 0.00 0.00 39.64 38.24 3g5u n ILE 1262CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.55 176.77 3g5u h TYR 1263N 0.00 0.37 0.60 1.39 3.20 -1.89 0.26 116.97 120.89 3g5u h TYR 1263Ca 0.00 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3g5u h TYR 1263Cb 0.00 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.17 3g5u h TYR 1263CO 0.02 -0.05 -0.29 0.35 -1.64 0.00 0.00 178.16 176.55 3g5u h PHE 1264N 0.15 -0.77 -1.08 -3.82 3.04 -1.78 -1.64 116.94 111.06 3g5u h PHE 1264Ca 0.69 -0.02 0.32 0.00 3.98 0.00 0.00 57.97 62.95 3g5u h PHE 1264Cb 2.28 0.26 -0.13 0.00 2.56 0.00 0.00 35.95 40.92 3g5u h PHE 1264CO -0.00 -0.47 0.66 1.03 -2.02 0.00 0.00 178.31 177.50 3g5u h SER 1265N -0.81 0.47 -0.76 0.41 0.87 0.28 1.45 113.55 115.45 3g5u h SER 1265Ca -0.08 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3g5u h SER 1265Cb 0.63 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.63 3g5u h SER 1265CO 0.13 -0.05 0.43 0.24 -0.53 0.00 0.00 176.83 177.05 3g5u h MET 1266N 0.33 1.06 0.01 2.24 2.86 -0.80 0.12 114.93 120.75 3g5u h MET 1266Ca 0.70 -0.12 -0.20 0.00 -2.06 0.00 0.00 59.70 58.02 3g5u h MET 1266Cb 1.75 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 33.17 3g5u h MET 1266CO -0.47 0.78 -0.94 0.28 1.06 0.00 0.00 176.91 177.62 3g5u h VAL 1267N 1.06 1.63 0.00 -2.22 2.07 0.26 -1.87 116.25 117.18 3g5u h VAL 1267Ca 0.27 -3.09 0.00 0.00 0.82 0.00 0.00 66.70 64.70 3g5u h VAL 1267Cb 0.02 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 3g5u h VAL 1267CO -0.04 0.89 0.00 0.77 0.02 0.00 0.00 177.57 179.20 3g5u h SER 1268N 0.02 0.00 0.34 0.57 4.64 0.67 -1.99 113.55 117.80 3g5u h SER 1268Ca -0.02 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.98 3g5u h SER 1268Cb 1.64 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.69 3g5u h SER 1268CO 0.13 0.00 -1.85 0.55 -0.87 0.00 0.00 176.83 174.79 3g5u n VAL 1269N -2.94 1.66 -0.12 0.95 3.14 0.39 -3.74 118.33 117.66 3g5u n VAL 1269Ca 0.02 -0.75 0.10 0.00 -2.96 0.00 0.00 64.34 60.75 3g5u n VAL 1269Cb 0.39 -1.25 0.44 0.00 -1.06 0.00 0.00 33.84 32.37 3g5u n VAL 1269CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 3g5u h GLN 1270N 0.02 0.52 0.00 1.45 4.15 -1.02 -3.51 115.11 116.73 3g5u h GLN 1270Ca -0.35 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.04 3g5u h GLN 1270Cb 2.03 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.60 3g5u h GLN 1270CO 0.08 0.35 0.00 0.00 -1.93 0.00 0.00 178.83 177.32