#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s64 s ASP 19 N 0.00 2.74 -0.39 -1.43 3.84 -1.26 -5.10 116.67 115.06 1s64 s ASP 19 Ca 0.00 -1.11 -0.27 0.00 -0.00 0.00 0.00 52.55 51.17 1s64 s ASP 19 Cb 0.00 -0.16 0.02 0.00 -1.38 0.00 0.00 42.92 41.40 1s64 s ASP 19 CO 0.00 -0.25 1.01 0.12 -0.00 0.00 0.00 175.17 176.06 1s64 s PHE 20 N -2.96 3.02 -0.71 2.11 5.36 -1.26 -4.93 117.98 118.60 1s64 s PHE 20 Ca 0.27 0.83 -0.07 0.00 -0.96 0.00 0.00 56.93 56.99 1s64 s PHE 20 Cb 0.01 -3.87 -0.16 0.00 -0.34 0.00 0.00 43.02 38.66 1s64 s PHE 20 CO 0.10 -0.94 3.03 1.28 -1.46 0.00 0.00 175.22 177.23 1s64 n LEU 21 N 7.08 6.24 -0.35 6.12 4.32 -1.26 -4.80 117.00 134.36 1s64 n LEU 21 Ca 0.09 -3.44 0.01 0.00 -0.02 0.00 0.00 56.01 52.65 1s64 n LEU 21 Cb 0.48 -1.36 0.07 0.00 -1.62 0.00 0.00 43.42 40.99 1s64 n LEU 21 CO 0.62 1.59 0.56 -1.14 -1.22 0.00 0.00 177.39 177.81 1s64 n ARG 22 N 3.13 -0.17 -0.29 3.23 0.63 -1.26 -1.20 116.66 120.73 1s64 n ARG 22 Ca 0.54 1.42 -0.05 0.00 -0.92 0.00 0.00 57.85 58.84 1s64 n ARG 22 Cb 0.52 -2.11 0.07 0.00 0.45 0.00 0.00 32.46 31.39 1s64 n ARG 22 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1s64 h ASP 23 N 0.00 0.96 -0.72 6.15 3.32 -2.00 -1.81 116.42 122.32 1s64 h ASP 23 Ca 0.36 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 1s64 h ASP 23 Cb 0.59 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1s64 h ASP 23 CO -0.92 0.76 0.33 -0.09 -1.72 0.00 0.00 179.24 177.59 1s64 h ARG 24 N 1.09 1.07 -0.08 3.56 9.65 -1.57 -1.85 114.38 126.25 1s64 h ARG 24 Ca 0.28 -0.16 -0.12 0.00 -1.10 0.00 0.00 59.98 58.88 1s64 h ARG 24 Cb -0.02 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.36 1s64 h ARG 24 CO -0.05 0.84 -0.47 0.45 2.80 0.00 0.00 179.97 183.54 1s64 h HIS 25 N 1.06 0.23 -0.39 2.20 3.86 -1.04 -0.38 115.15 120.69 1s64 h HIS 25 Ca 0.25 -0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 1s64 h HIS 25 Cb 0.15 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 1s64 h HIS 25 CO 0.01 0.63 0.09 0.28 0.86 0.00 0.00 177.93 179.81 1s64 h VAL 26 N 0.15 1.23 -0.65 2.45 2.07 -0.69 -1.54 116.25 119.27 1s64 h VAL 26 Ca 0.01 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 1s64 h VAL 26 Cb 0.89 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1s64 h VAL 26 CO 0.07 0.27 0.17 0.03 0.02 0.00 0.00 177.57 178.14 1s64 h ARG 27 N 0.49 1.03 -0.26 1.57 3.08 -1.09 -1.64 114.38 117.56 1s64 h ARG 27 Ca 0.12 -0.24 0.06 0.00 0.07 0.00 0.00 59.98 59.99 1s64 h ARG 27 Cb 0.31 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.17 1s64 h ARG 27 CO 0.00 0.92 -0.11 0.35 -1.07 0.00 0.00 179.97 180.06 1s64 h PHE 28 N 0.96 -0.27 -0.32 3.04 3.57 -0.75 0.01 116.94 123.18 1s64 h PHE 28 Ca 0.21 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 1s64 h PHE 28 Cb 0.34 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1s64 h PHE 28 CO 0.03 -0.18 -0.02 0.74 -2.23 0.00 0.00 178.31 176.64 1s64 h PHE 29 N -0.07 0.51 -0.33 0.41 0.05 -1.09 -2.03 116.94 114.39 1s64 h PHE 29 Ca 0.14 -0.05 -0.01 0.00 3.82 0.00 0.00 57.97 61.86 1s64 h PHE 29 Cb 0.28 -0.15 -0.01 0.00 2.00 0.00 0.00 35.95 38.07 1s64 h PHE 29 CO -0.30 0.52 0.15 1.96 -0.18 0.00 0.00 178.31 180.46 1s64 h GLN 30 N 0.47 0.48 -0.26 1.51 4.20 -0.24 -2.33 115.11 118.93 1s64 h GLN 30 Ca 0.10 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1s64 h GLN 30 Cb 0.35 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1s64 h GLN 30 CO 0.01 0.45 0.08 0.00 -0.67 0.00 0.00 178.83 178.71 1s64 h ARG 31 N 0.39 0.37 -0.38 1.46 3.08 -0.69 -2.01 114.38 116.60 1s64 h ARG 31 Ca 0.11 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1s64 h ARG 31 Cb 0.14 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1s64 h ARG 31 CO -0.01 0.33 0.10 0.00 -1.07 0.00 0.00 179.97 179.32 1s64 n LEU 33 N -4.34 0.44 0.00 0.00 7.99 -0.77 -4.75 117.00 115.56 1s64 n LEU 33 Ca 0.02 0.52 0.00 0.00 -0.01 0.00 0.00 56.01 56.54 1s64 n LEU 33 Cb 0.18 -0.39 0.00 0.00 -0.11 0.00 0.00 43.42 43.09 1s64 n LEU 33 CO 0.38 -0.09 0.00 0.00 -1.51 0.00 0.00 177.39 176.17 1s64 n GLN 34 N -1.90 0.00 -4.91 3.23 6.02 -0.83 -5.07 117.38 113.93 1s64 n GLN 34 Ca 0.06 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.79 1s64 n GLN 34 Cb 0.39 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.49 1s64 n GLN 34 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1s64 s VAL 35 N 0.68 1.49 0.16 5.09 1.01 -1.25 -5.12 120.40 122.45 1s64 s VAL 35 Ca 0.00 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.28 1s64 s VAL 35 Cb 0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1s64 s VAL 35 CO 0.00 0.42 -0.17 -0.76 0.00 0.00 0.00 175.10 174.59 1s64 s LEU 36 N -0.33 2.69 0.53 3.92 1.43 -1.26 -4.97 118.68 120.70 1s64 s LEU 36 Ca 0.05 -0.66 -0.19 0.00 -1.03 0.00 0.00 54.13 52.30 1s64 s LEU 36 Cb -0.08 -1.46 -0.06 0.00 0.03 0.00 0.00 46.19 44.61 1s64 s LEU 36 CO 0.00 0.14 1.10 -2.84 0.23 0.00 0.00 176.35 174.98 1s64 s PRO 37 N -2.48 3.46 0.41 1.29 0.02 -1.26 -4.90 135.00 131.54 1s64 s PRO 37 Ca 0.21 1.53 0.18 0.00 0.02 0.00 0.00 61.00 62.94 1s64 s PRO 37 Cb -0.09 -2.03 1.00 0.00 0.02 0.00 0.00 34.50 33.40 1s64 s PRO 37 CO 0.11 -0.75 1.50 1.49 -0.33 0.00 0.00 177.00 179.02 1s64 h GLU 38 N 1.24 0.00 0.00 5.54 4.81 -2.03 -0.50 114.58 123.64 1s64 h GLU 38 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1s64 h GLU 38 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1s64 h GLU 38 CO 0.57 0.00 0.00 2.89 -0.73 0.00 0.00 179.01 181.74 1s64 n ARG 39 N -2.29 0.39 -0.28 1.92 1.85 -1.26 -1.75 116.66 115.25 1s64 n ARG 39 Ca -0.01 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.91 1s64 n ARG 39 Cb 0.31 -1.50 0.19 0.00 -1.05 0.00 0.00 32.46 30.41 1s64 n ARG 39 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1s64 n TYR 40 N -1.01 0.59 -0.32 2.89 4.02 -0.20 -4.74 117.16 118.40 1s64 n TYR 40 Ca 0.09 -0.75 0.21 0.00 -0.01 0.00 0.00 57.90 57.44 1s64 n TYR 40 Cb 0.05 -0.19 0.47 0.00 -0.02 0.00 0.00 39.34 39.65 1s64 n TYR 40 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1s64 h SER 41 N 1.45 0.51 0.07 7.72 4.64 -1.55 -0.75 113.55 125.64 1s64 h SER 41 Ca 0.00 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1s64 h SER 41 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1s64 h SER 41 CO 0.11 0.12 0.00 -1.54 -0.87 0.00 0.00 176.83 174.65 1s64 n SER 42 N -4.66 0.00 0.00 4.97 3.41 -1.26 -1.01 113.62 115.07 1s64 n SER 42 Ca 0.25 0.08 0.11 0.00 -0.26 0.00 0.00 58.87 59.05 1s64 n SER 42 Cb 0.81 -0.19 0.04 0.00 -0.26 0.00 0.00 64.21 64.61 1s64 n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1s64 n LEU 43 N -1.19 0.73 -0.39 1.04 4.77 -0.29 -4.59 117.00 117.08 1s64 n LEU 43 Ca 0.03 -0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 55.72 1s64 n LEU 43 Cb 0.04 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 1s64 n LEU 43 CO 0.04 0.17 0.51 1.21 -1.33 0.00 0.00 177.39 177.99 1s64 n GLU 44 N -1.58 -0.34 0.00 3.23 4.07 -0.18 -0.27 120.64 125.58 1s64 n GLU 44 Ca 0.04 1.48 0.09 0.00 -0.06 0.00 0.00 57.16 58.72 1s64 n GLU 44 Cb 0.35 -2.19 0.55 0.00 -0.06 0.00 0.00 31.44 30.09 1s64 n GLU 44 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1s64 n THR 45 N -5.31 0.00 -2.39 6.31 -2.24 -1.26 -3.04 114.28 106.35 1s64 n THR 45 Ca 0.06 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.86 1s64 n THR 45 Cb 0.31 -0.52 0.06 0.00 -2.10 0.00 0.00 70.33 68.08 1s64 n THR 45 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s64 n SER 46 N -0.89 1.44 0.11 3.42 3.41 0.63 -4.00 113.62 117.73 1s64 n SER 46 Ca 0.14 -2.41 0.04 0.00 -0.26 0.00 0.00 58.87 56.37 1s64 n SER 46 Cb 0.06 -0.37 0.44 0.00 -0.26 0.00 0.00 64.21 64.08 1s64 n SER 46 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1s64 h ARG 47 N 1.37 0.29 -0.43 4.33 3.08 -1.21 -2.09 114.38 119.72 1s64 h ARG 47 Ca -0.14 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 1s64 h ARG 47 Cb 1.61 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.59 1s64 h ARG 47 CO 0.13 0.31 0.15 1.25 -1.07 0.00 0.00 179.97 180.74 1s64 h LEU 48 N 0.29 0.56 -0.45 3.04 5.85 -1.57 -0.28 115.31 122.74 1s64 h LEU 48 Ca 0.07 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1s64 h LEU 48 Cb 0.18 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1s64 h LEU 48 CO 0.00 0.52 -0.40 0.71 -0.34 0.00 0.00 178.44 178.94 1s64 h THR 49 N 0.61 0.77 -0.19 1.05 1.35 -1.68 -1.38 112.91 113.45 1s64 h THR 49 Ca 0.15 -1.79 -0.19 0.00 -0.55 0.00 0.00 66.41 64.03 1s64 h THR 49 Cb 0.15 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1s64 h THR 49 CO -0.01 0.39 -0.65 0.40 -0.25 0.00 0.00 175.52 175.39 1s64 h ILE 50 N 0.00 1.30 -0.56 6.82 1.08 -1.15 -1.73 117.51 123.28 1s64 h ILE 50 Ca -0.00 -1.89 -0.02 0.00 -0.39 0.00 0.00 64.86 62.55 1s64 h ILE 50 Cb 1.13 1.85 -0.03 0.00 -3.07 0.00 0.00 36.82 36.71 1s64 h ILE 50 CO 0.05 0.60 0.26 0.00 -0.69 0.00 0.00 178.15 178.37 1s64 h ALA 51 N 0.75 0.72 -0.06 1.87 0.00 -0.86 -1.91 119.26 119.77 1s64 h ALA 51 Ca -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1s64 h ALA 51 Cb 1.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1s64 h ALA 51 CO 0.13 0.30 -0.08 0.35 0.00 0.00 0.00 179.25 179.95 1s64 h PHE 52 N 0.76 -0.18 -0.95 0.00 3.57 -1.07 0.25 116.94 119.30 1s64 h PHE 52 Ca 0.19 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.79 1s64 h PHE 52 Cb 0.14 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 1s64 h PHE 52 CO -0.00 -0.12 0.59 0.74 -2.23 0.00 0.00 178.31 177.30 1s64 h PHE 53 N -0.10 1.09 0.13 0.41 0.05 -1.08 0.14 116.94 117.58 1s64 h PHE 53 Ca 0.05 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.87 1s64 h PHE 53 Cb 0.17 -0.35 0.00 0.00 2.00 0.00 0.00 35.95 37.78 1s64 h PHE 53 CO -0.17 0.50 -0.06 0.00 -0.18 0.00 0.00 178.31 178.40 1s64 h ALA 54 N 1.47 -0.18 0.27 2.45 0.00 -0.78 -1.16 119.26 121.33 1s64 h ALA 54 Ca 0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1s64 h ALA 54 Cb 0.30 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1s64 h ALA 54 CO -0.21 -0.32 -0.13 -0.07 0.00 0.00 0.00 179.25 178.51 1s64 h LEU 55 N -0.74 -0.31 -1.91 0.00 3.38 -0.41 0.40 115.31 115.73 1s64 h LEU 55 Ca -0.02 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1s64 h LEU 55 Cb 0.53 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1s64 h LEU 55 CO 0.03 -0.09 -0.08 -1.28 0.09 0.00 0.00 178.44 177.11 1s64 h SER 56 N -0.52 0.00 -0.12 -0.43 0.87 -0.86 0.15 113.55 112.65 1s64 h SER 56 Ca -0.04 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.31 1s64 h SER 56 Cb 0.38 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1s64 h SER 56 CO 0.06 0.08 -0.73 1.23 -0.53 0.00 0.00 176.83 176.94 1s64 h GLY 57 N 0.28 0.84 1.06 5.77 0.00 -0.87 -1.01 103.07 109.13 1s64 h GLY 57 Ca -0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 47.33 46.06 1s64 h GLY 57 CO 0.01 1.02 -0.22 1.41 0.00 0.00 0.00 176.54 178.75 1s64 h LEU 58 N 0.53 0.93 -0.49 3.11 3.38 0.01 -2.36 115.31 120.42 1s64 h LEU 58 Ca -0.04 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.56 1s64 h LEU 58 Cb 1.35 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1s64 h LEU 58 CO 0.15 1.13 0.26 -0.78 0.09 0.00 0.00 178.44 179.29 1s64 h ASP 59 N 0.72 0.40 0.08 -0.43 -0.00 -0.68 0.11 116.42 116.62 1s64 h ASP 59 Ca 0.09 0.02 -0.01 0.00 -0.00 0.00 0.00 57.03 57.13 1s64 h ASP 59 Cb 0.79 -0.06 -0.00 0.00 -0.00 0.00 0.00 39.33 40.06 1s64 h ASP 59 CO 0.07 0.28 -0.03 -0.03 -0.00 0.00 0.00 179.24 179.52 1s64 h MET 60 N 0.52 0.00 -0.47 0.28 4.05 -0.94 -0.27 114.93 118.09 1s64 h MET 60 Ca 0.21 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1s64 h MET 60 Cb 0.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1s64 h MET 60 CO -0.13 0.03 0.00 1.28 0.23 0.00 0.00 176.91 178.33 1s64 n LEU 61 N -3.89 3.50 -3.56 3.39 4.77 -0.25 -1.08 117.00 119.89 1s64 n LEU 61 Ca -0.03 -1.68 -0.21 0.00 -0.03 0.00 0.00 56.01 54.06 1s64 n LEU 61 Cb 0.12 -0.31 0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1s64 n LEU 61 CO 0.29 0.80 -0.02 -0.67 -1.33 0.00 0.00 177.39 176.46 1s64 n ASP 62 N 1.41 -3.39 -1.26 -1.43 2.03 0.20 -4.94 116.55 109.16 1s64 n ASP 62 Ca 0.20 -0.81 0.04 0.00 0.52 0.00 0.00 54.79 54.74 1s64 n ASP 62 Cb 0.58 -4.33 0.04 0.00 -0.72 0.00 0.00 41.12 36.69 1s64 n ASP 62 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1s64 n SER 63 N -3.03 0.97 0.00 1.67 7.64 -0.18 -4.85 113.62 115.84 1s64 n SER 63 Ca -0.20 -2.21 0.04 0.00 1.01 0.00 0.00 58.87 57.51 1s64 n SER 63 Cb 0.65 -0.31 0.18 0.00 -1.01 0.00 0.00 64.21 63.72 1s64 n SER 63 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1s64 n LEU 64 N 0.25 0.00 0.26 -3.43 4.77 -1.26 -2.27 117.00 115.32 1s64 n LEU 64 Ca 0.07 0.48 0.15 0.00 -0.03 0.00 0.00 56.01 56.67 1s64 n LEU 64 Cb 1.04 -0.48 0.61 0.00 -2.33 0.00 0.00 43.42 42.26 1s64 n LEU 64 CO -0.03 -0.34 0.93 -2.24 -1.33 0.00 0.00 177.39 174.38 1s64 h ASP 65 N 0.00 0.00 0.00 -1.43 2.03 -1.95 -2.98 116.42 112.09 1s64 h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1s64 h ASP 65 Cb 0.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1s64 h ASP 65 CO 0.00 0.07 0.00 1.33 -1.03 0.00 0.00 179.24 179.61 1s64 n VAL 66 N -3.20 0.00 -4.22 4.15 0.24 -0.96 -4.80 118.33 109.54 1s64 n VAL 66 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.14 1s64 n VAL 66 Cb 0.34 -0.16 -0.11 0.00 -1.47 0.00 0.00 33.84 32.45 1s64 n VAL 66 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1s64 s VAL 67 N -2.00 1.17 -1.00 3.34 -7.23 -1.13 -5.08 120.40 108.47 1s64 s VAL 67 Ca 0.12 -1.73 -0.19 0.00 -1.81 0.00 0.00 61.98 58.37 1s64 s VAL 67 Cb 0.06 -1.51 0.12 0.00 0.56 0.00 0.00 36.38 35.61 1s64 s VAL 67 CO 0.09 -0.51 1.25 0.21 -0.31 0.00 0.00 175.10 175.83 1s64 s ASN 68 N -2.54 6.68 0.45 4.85 3.84 -1.26 -4.88 114.94 122.07 1s64 s ASN 68 Ca 0.09 -2.09 0.27 0.00 0.21 0.00 0.00 52.86 51.34 1s64 s ASN 68 Cb -0.03 -2.44 1.32 0.00 -0.55 0.00 0.00 41.25 39.55 1s64 s ASN 68 CO 0.02 -1.10 1.73 0.11 -2.79 0.00 0.00 177.10 175.07 1s64 h LYS 69 N 8.72 0.20 -0.21 0.43 1.57 -1.92 -1.67 116.57 123.68 1s64 h LYS 69 Ca 0.20 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1s64 h LYS 69 Cb 0.99 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1s64 h LYS 69 CO 1.20 0.13 -0.29 -0.44 -0.57 0.00 0.00 179.45 179.48 1s64 h ASP 70 N 0.21 0.63 -0.21 0.86 3.32 -1.92 -1.79 116.42 117.52 1s64 h ASP 70 Ca 0.66 -0.51 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1s64 h ASP 70 Cb 2.05 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 41.41 1s64 h ASP 70 CO -0.25 1.01 0.06 0.44 -1.72 0.00 0.00 179.24 178.79 1s64 h ASP 71 N 0.26 0.30 -0.65 6.45 3.32 -1.74 -2.71 116.42 121.66 1s64 h ASP 71 Ca 0.02 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1s64 h ASP 71 Cb 0.87 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 1s64 h ASP 71 CO 0.07 0.43 0.33 0.40 -1.72 0.00 0.00 179.24 178.75 1s64 h ILE 72 N 0.16 1.21 -0.65 0.35 2.04 -1.52 -1.83 117.51 117.27 1s64 h ILE 72 Ca 0.07 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 1s64 h ILE 72 Cb 0.24 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1s64 h ILE 72 CO -0.00 0.25 0.27 0.40 0.00 0.00 0.00 178.15 179.07 1s64 h ILE 73 N 0.95 1.22 -0.38 -0.67 2.04 -1.16 -0.54 117.51 118.97 1s64 h ILE 73 Ca 0.23 -0.68 -0.10 0.00 1.00 0.00 0.00 64.86 65.32 1s64 h ILE 73 Cb 0.08 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1s64 h ILE 73 CO -0.03 0.27 -0.15 -0.33 0.00 0.00 0.00 178.15 177.91 1s64 h GLU 74 N 0.93 0.77 -0.34 2.37 4.39 -1.10 -1.54 114.58 120.06 1s64 h GLU 74 Ca 0.22 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.61 1s64 h GLU 74 Cb 0.16 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1s64 h GLU 74 CO -0.02 0.94 0.19 2.35 -1.16 0.00 0.00 179.01 181.31 1s64 h TRP 75 N 0.57 0.36 -0.57 4.33 7.01 -0.92 -0.90 115.95 125.84 1s64 h TRP 75 Ca 0.09 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.10 1s64 h TRP 75 Cb 0.69 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.61 1s64 h TRP 75 CO 0.06 0.21 0.37 0.82 -2.79 0.00 0.00 178.44 177.10 1s64 h ILE 76 N 0.40 1.15 0.00 2.65 2.04 -0.99 -1.69 117.51 121.07 1s64 h ILE 76 Ca 0.14 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1s64 h ILE 76 Cb 0.01 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1s64 h ILE 76 CO -0.07 0.15 -0.07 1.88 0.00 0.00 0.00 178.15 180.04 1s64 h TYR 77 N 0.77 0.00 0.00 1.37 0.05 -0.75 -0.73 116.97 117.68 1s64 h TYR 77 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.99 1s64 h TYR 77 Cb -0.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.67 1s64 h TYR 77 CO -0.03 0.07 0.00 -1.13 -1.05 0.00 0.00 178.16 176.02 1s64 n SER 78 N -3.33 0.45 -0.37 3.88 3.41 -0.39 -2.54 113.62 114.73 1s64 n SER 78 Ca -0.01 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 1s64 n SER 78 Cb 0.24 -0.69 0.30 0.00 -0.26 0.00 0.00 64.21 63.81 1s64 n SER 78 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1s64 n LEU 79 N -1.96 1.40 -4.71 1.04 4.77 -0.28 -4.62 117.00 112.64 1s64 n LEU 79 Ca 0.04 -0.44 -0.42 0.00 -0.03 0.00 0.00 56.01 55.16 1s64 n LEU 79 Cb 0.28 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1s64 n LEU 79 CO 0.22 0.26 0.70 -1.58 -1.33 0.00 0.00 177.39 175.66 1s64 s GLN 80 N -2.41 4.55 -0.57 3.23 0.74 -1.05 0.08 119.66 124.24 1s64 s GLN 80 Ca 0.25 1.47 -0.22 0.00 0.05 0.00 0.00 55.36 56.91 1s64 s GLN 80 Cb 0.19 -3.44 0.06 0.00 1.10 0.00 0.00 33.01 30.92 1s64 s GLN 80 CO 0.50 -0.06 0.85 0.08 -0.55 0.00 0.00 175.29 176.10 1s64 s VAL 81 N 0.96 4.53 0.29 1.34 1.01 0.81 -4.90 120.40 124.44 1s64 s VAL 81 Ca 0.53 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.29 1s64 s VAL 81 Cb -0.22 -4.51 -0.06 0.00 0.00 0.00 0.00 36.38 31.59 1s64 s VAL 81 CO 0.28 -1.11 0.58 -0.76 0.00 0.00 0.00 175.10 174.10 1s64 s LEU 82 N 3.55 4.05 0.44 3.92 1.43 -1.26 -3.08 118.68 127.72 1s64 s LEU 82 Ca 0.23 0.82 -0.24 0.00 -1.03 0.00 0.00 54.13 53.91 1s64 s LEU 82 Cb -0.16 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.34 1s64 s LEU 82 CO 0.14 -0.20 1.21 -2.16 0.23 0.00 0.00 176.35 175.57 1s64 s PRO 83 N -3.43 3.85 0.91 1.29 0.04 -1.26 -4.43 135.00 131.97 1s64 s PRO 83 Ca 0.46 1.91 -0.12 0.00 0.04 0.00 0.00 61.00 63.28 1s64 s PRO 83 Cb -0.11 -2.55 0.14 0.00 0.04 0.00 0.00 34.50 32.02 1s64 s PRO 83 CO 0.28 -0.52 1.12 0.95 0.04 0.00 0.00 177.00 178.88 1s64 s THR 84 N -1.42 2.18 0.21 1.26 -4.23 -1.26 -3.20 115.64 109.17 1s64 s THR 84 Ca 0.61 0.06 -0.15 0.00 -1.18 0.00 0.00 61.69 61.02 1s64 s THR 84 Cb -0.32 -2.74 0.22 0.00 1.34 0.00 0.00 72.50 70.99 1s64 s THR 84 CO 0.40 -0.07 1.61 1.05 -0.54 0.00 0.00 174.62 177.07 1s64 h GLU 85 N -1.53 -0.04 0.00 3.99 9.09 -1.95 0.40 114.58 124.54 1s64 h GLU 85 Ca -0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.90 1s64 h GLU 85 Cb 1.32 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 1s64 h GLU 85 CO 0.60 -0.03 0.00 -0.40 0.05 0.00 0.00 179.01 179.24 1s64 n ASP 86 N -5.44 0.00 -4.39 3.06 3.85 -1.26 -4.90 116.55 107.46 1s64 n ASP 86 Ca 0.07 -1.80 -0.38 0.00 -0.71 0.00 0.00 54.79 51.97 1s64 n ASP 86 Cb 0.34 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.05 1s64 n ASP 86 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1s64 n ARG 87 N -0.60 -1.59 -0.32 0.11 1.74 0.14 -4.82 116.66 111.32 1s64 n ARG 87 Ca 0.05 0.21 0.10 0.00 -0.77 0.00 0.00 57.85 57.44 1s64 n ARG 87 Cb 0.02 -4.65 0.27 0.00 -1.02 0.00 0.00 32.46 27.09 1s64 n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1s64 n SER 88 N -2.61 3.33 -0.86 0.55 3.41 -1.26 -4.20 113.62 111.98 1s64 n SER 88 Ca 0.02 -2.00 0.05 0.00 -0.26 0.00 0.00 58.87 56.68 1s64 n SER 88 Cb 0.51 -0.42 0.12 0.00 -0.26 0.00 0.00 64.21 64.16 1s64 n SER 88 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1s64 n ASN 89 N 1.32 1.38 -0.31 4.04 6.94 -1.26 -4.84 115.26 122.53 1s64 n ASN 89 Ca 0.21 -2.99 -0.00 0.00 -0.02 0.00 0.00 54.58 51.78 1s64 n ASN 89 Cb 0.52 -0.41 0.13 0.00 -2.36 0.00 0.00 39.78 37.66 1s64 n ASN 89 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1s64 h LEU 90 N 0.82 0.88 0.00 -4.53 3.38 -1.95 -1.51 115.31 112.40 1s64 h LEU 90 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1s64 h LEU 90 Cb 1.36 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1s64 h LEU 90 CO 0.04 0.58 0.00 0.47 0.09 0.00 0.00 178.44 179.62 1s64 n ASP 91 N -4.58 0.00 -0.04 -0.43 8.00 -1.26 -2.06 116.55 116.17 1s64 n ASP 91 Ca 0.12 0.01 0.02 0.00 0.71 0.00 0.00 54.79 55.65 1s64 n ASP 91 Cb 0.13 -0.12 0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1s64 n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1s64 n ARG 92 N -1.12 2.04 -2.31 -1.24 1.74 -0.57 -4.62 116.66 110.58 1s64 n ARG 92 Ca 0.03 -1.59 -0.30 0.00 -0.77 0.00 0.00 57.85 55.22 1s64 n ARG 92 Cb 0.02 -1.02 -0.01 0.00 -1.02 0.00 0.00 32.46 30.43 1s64 n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s64 n GLY 94 N -2.21 0.02 3.24 0.00 0.00 -1.18 -4.41 105.19 100.65 1s64 n GLY 94 Ca 0.04 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 1s64 n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s64 s PHE 95 N -3.90 1.62 0.39 1.61 0.40 -1.26 -0.14 117.98 116.70 1s64 s PHE 95 Ca 0.00 -0.41 -0.02 0.00 -0.60 0.00 0.00 56.93 55.90 1s64 s PHE 95 Cb 0.00 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.59 1s64 s PHE 95 CO 0.00 0.14 0.64 1.03 0.70 0.00 0.00 175.22 177.73 1s64 s ARG 96 N -1.69 3.51 0.32 0.44 0.52 0.11 -1.07 118.95 121.09 1s64 s ARG 96 Ca 0.04 -0.12 0.17 0.00 -0.52 0.00 0.00 55.73 55.30 1s64 s ARG 96 Cb -0.10 -2.55 0.20 0.00 0.52 0.00 0.00 34.95 33.02 1s64 s ARG 96 CO 0.03 0.02 1.51 0.78 0.02 0.00 0.00 175.30 177.66 1s64 h GLY 97 N 0.60 0.00 -0.56 -3.53 0.00 -1.89 -3.46 103.07 94.24 1s64 h GLY 97 Ca -0.49 0.00 0.08 0.00 0.00 0.00 0.00 47.33 46.93 1s64 h GLY 97 CO 0.62 0.00 0.25 -1.14 0.00 0.00 0.00 176.54 176.27 1s64 n SER 98 N -3.24 -0.55 -1.94 0.19 3.41 -1.26 -1.46 113.62 108.76 1s64 n SER 98 Ca 0.02 -1.24 -0.11 0.00 -0.26 0.00 0.00 58.87 57.28 1s64 n SER 98 Cb 0.67 0.88 0.23 0.00 -0.26 0.00 0.00 64.21 65.74 1s64 n SER 98 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1s64 n SER 99 N -0.70 4.24 0.19 4.04 3.41 -1.26 -4.65 113.62 118.89 1s64 n SER 99 Ca 0.00 -3.18 0.11 0.00 -0.26 0.00 0.00 58.87 55.53 1s64 n SER 99 Cb 0.21 -0.75 0.57 0.00 -0.26 0.00 0.00 64.21 63.98 1s64 n SER 99 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1s64 h TYR 100 N 1.88 0.00 0.00 7.33 -0.00 -1.96 -1.65 116.97 122.57 1s64 h TYR 100 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.08 1s64 h TYR 100 Cb 2.33 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 39.06 1s64 h TYR 100 CO 1.24 0.00 -0.08 1.28 -0.00 0.00 0.00 178.16 180.59 1s64 n LEU 101 N -2.30 0.68 0.00 0.10 4.77 -1.26 -4.93 117.00 114.06 1s64 n LEU 101 Ca -0.01 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1s64 n LEU 101 Cb 0.18 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1s64 n LEU 101 CO 0.09 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1s64 n GLY 102 N 1.34 0.61 3.73 -0.72 0.00 -0.62 -5.03 105.19 104.51 1s64 n GLY 102 Ca 0.06 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1s64 n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s64 s ILE 103 N -2.00 3.67 0.12 -0.61 1.01 -1.26 -4.94 121.20 117.19 1s64 s ILE 103 Ca 0.00 1.32 -0.34 0.00 0.00 0.00 0.00 60.65 61.63 1s64 s ILE 103 Cb 0.00 -3.85 -0.14 0.00 0.01 0.00 0.00 42.46 38.48 1s64 s ILE 103 CO 0.00 0.17 1.57 -0.81 0.00 0.00 0.00 174.94 175.87 1s64 n PRO 104 N 3.01 1.97 -1.65 2.79 -0.04 -1.26 -4.85 135.00 134.97 1s64 n PRO 104 Ca 0.06 0.71 -0.59 0.00 -0.04 0.00 0.00 63.50 63.64 1s64 n PRO 104 Cb 0.45 -2.46 -0.08 0.00 -0.04 0.00 0.00 33.50 31.37 1s64 n PRO 104 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1s64 n PHE 105 N 3.59 1.59 -3.26 0.54 7.35 -1.26 -4.95 117.46 121.06 1s64 n PHE 105 Ca 0.18 0.80 -0.05 0.00 -0.76 0.00 0.00 57.45 57.61 1s64 n PHE 105 Cb 0.27 -2.31 -0.04 0.00 0.35 0.00 0.00 39.48 37.75 1s64 n PHE 105 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1s64 s ASN 106 N 1.99 -0.24 -0.56 -2.13 2.47 -1.26 -5.06 114.94 110.15 1s64 s ASN 106 Ca 0.95 -0.37 -0.04 0.00 0.42 0.00 0.00 52.86 53.82 1s64 s ASN 106 Cb -1.17 1.38 -0.05 0.00 -1.45 0.00 0.00 41.25 39.95 1s64 s ASN 106 CO 0.63 -0.32 1.83 -0.81 -3.72 0.00 0.00 177.10 174.71 1s64 n PRO 107 N 5.20 1.43 -3.88 0.43 -0.04 -1.26 -4.06 135.00 132.82 1s64 n PRO 107 Ca 0.04 -1.07 -0.27 0.00 -0.04 0.00 0.00 63.50 62.16 1s64 n PRO 107 Cb 0.51 -2.22 0.01 0.00 -0.04 0.00 0.00 33.50 31.76 1s64 n PRO 107 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1s64 n SER 108 N 4.11 -2.47 0.00 3.54 7.64 -1.14 -4.74 113.62 120.57 1s64 n SER 108 Ca 0.30 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1s64 n SER 108 Cb 0.15 -3.67 0.00 0.00 -1.01 0.00 0.00 64.21 59.68 1s64 n SER 108 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1s64 n LYS 109 N -4.46 0.00 -1.11 1.43 5.02 -1.26 -5.03 118.16 112.75 1s64 n LYS 109 Ca -0.15 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.84 1s64 n LYS 109 Cb 0.61 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.86 1s64 n LYS 109 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1s64 s ASN 110 N -0.97 0.86 0.64 4.39 6.03 -1.26 -5.04 114.94 119.58 1s64 s ASN 110 Ca 0.00 0.56 0.00 0.00 -1.03 0.00 0.00 52.86 52.39 1s64 s ASN 110 Cb 0.00 -0.75 0.00 0.00 -3.03 0.00 0.00 41.25 37.47 1s64 s ASN 110 CO 0.00 -4.15 0.00 0.09 -2.03 0.00 0.00 177.10 171.01 1s64 n PRO 111 N -4.77 -0.61 -3.50 3.55 -0.07 -1.26 -4.98 135.00 123.36 1s64 n PRO 111 Ca 0.14 0.00 -0.37 0.00 -0.07 0.00 0.00 63.50 63.20 1s64 n PRO 111 Cb 0.60 0.00 -0.07 0.00 -0.07 0.00 0.00 33.50 33.96 1s64 n PRO 111 CO 0.00 0.00 0.00 0.20 -0.07 0.00 0.00 175.50 175.63 1s64 s GLY 112 N -1.78 2.20 -0.62 1.68 0.00 -1.19 -4.98 107.32 102.62 1s64 s GLY 112 Ca 0.00 -0.45 -0.28 0.00 0.00 0.00 0.00 44.72 43.99 1s64 s GLY 112 CO 0.00 0.51 1.29 -1.08 0.00 0.00 0.00 173.10 173.82 1s64 s THR 113 N 0.61 3.86 0.19 0.90 -1.32 -1.26 -4.52 115.64 114.10 1s64 s THR 113 Ca 0.17 0.69 -0.32 0.00 -1.21 0.00 0.00 61.69 61.03 1s64 s THR 113 Cb -0.13 -4.69 -0.15 0.00 -1.51 0.00 0.00 72.50 66.01 1s64 s THR 113 CO 0.05 -1.44 1.21 0.00 -2.21 0.00 0.00 174.62 172.23 1s64 n ALA 114 N 9.08 -0.32 -3.69 11.08 0.00 -1.26 -5.00 120.51 130.40 1s64 n ALA 114 Ca 0.08 0.45 -0.10 0.00 0.00 0.00 0.00 53.44 53.87 1s64 n ALA 114 Cb 0.49 -2.08 -0.10 0.00 0.00 0.00 0.00 19.45 17.75 1s64 n ALA 114 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1s64 s HIS 115 N -0.19 -0.66 0.50 0.00 2.46 -1.26 -5.06 115.29 111.07 1s64 s HIS 115 Ca 0.71 1.37 0.32 0.00 0.47 0.00 0.00 55.06 57.93 1s64 s HIS 115 Cb -0.80 0.30 1.43 0.00 -0.13 0.00 0.00 32.58 33.38 1s64 s HIS 115 CO 0.52 -0.37 1.79 -1.35 -2.47 0.00 0.00 174.74 172.85 1s64 h PRO 116 N 7.26 0.11 0.00 2.88 0.11 -2.05 -2.90 132.00 137.40 1s64 h PRO 116 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1s64 h PRO 116 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1s64 h PRO 116 CO 0.26 0.07 -0.08 0.66 -0.21 0.00 0.00 178.00 178.70 1s64 n TYR 117 N -4.32 0.00 -3.22 0.65 4.01 -1.26 -5.02 117.16 108.00 1s64 n TYR 117 Ca 0.26 -0.56 -0.40 0.00 -0.16 0.00 0.00 57.90 57.04 1s64 n TYR 117 Cb 1.16 -0.08 -0.07 0.00 -0.31 0.00 0.00 39.34 40.03 1s64 n TYR 117 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1s64 s ASP 118 N -1.64 6.45 0.26 7.72 2.15 -1.10 -5.02 116.67 125.49 1s64 s ASP 118 Ca 0.13 0.54 -0.18 0.00 0.43 0.00 0.00 52.55 53.47 1s64 s ASP 118 Cb 0.11 -2.29 0.01 0.00 -0.30 0.00 0.00 42.92 40.46 1s64 s ASP 118 CO 0.01 -0.30 0.63 -0.94 -0.17 0.00 0.00 175.17 174.40 1s64 s SER 119 N 1.54 -0.20 0.80 -0.34 1.04 -1.26 -4.89 113.70 110.39 1s64 s SER 119 Ca 0.22 -0.71 -0.11 0.00 0.48 0.00 0.00 55.95 55.83 1s64 s SER 119 Cb -0.16 0.67 0.10 0.00 0.10 0.00 0.00 66.02 66.74 1s64 s SER 119 CO 0.09 -1.26 1.15 -0.83 0.98 0.00 0.00 173.24 173.37 1s64 s GLY 120 N -2.95 1.67 -0.10 7.32 0.00 -0.53 -4.64 107.32 108.10 1s64 s GLY 120 Ca 0.15 -0.90 -0.00 0.00 0.00 0.00 0.00 44.72 43.96 1s64 s GLY 120 CO 0.07 -0.38 -0.06 -1.58 0.00 0.00 0.00 173.10 171.15 1s64 s HIS 121 N -3.52 1.28 0.31 1.90 5.04 -0.24 -4.58 115.29 115.49 1s64 s HIS 121 Ca 0.64 -0.57 0.08 0.00 -1.54 0.00 0.00 55.06 53.67 1s64 s HIS 121 Cb -0.09 -1.10 0.88 0.00 0.04 0.00 0.00 32.58 32.31 1s64 s HIS 121 CO 0.48 -0.43 1.67 0.97 -2.34 0.00 0.00 174.74 175.09 1s64 h ILE 122 N 6.18 0.35 0.00 0.89 2.10 -1.17 0.57 117.51 126.43 1s64 h ILE 122 Ca -0.29 -0.11 -0.05 0.00 1.08 0.00 0.00 64.86 65.50 1s64 h ILE 122 Cb 1.14 0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 36.87 1s64 h ILE 122 CO 0.39 0.06 -0.24 0.00 -1.08 0.00 0.00 178.15 177.28 1s64 h ALA 123 N 1.80 1.06 0.16 0.18 0.00 -1.94 -1.76 119.26 118.75 1s64 h ALA 123 Ca 0.64 -0.21 -0.31 0.00 0.00 0.00 0.00 54.91 55.02 1s64 h ALA 123 Cb 1.35 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.11 1s64 h ALA 123 CO -0.61 0.29 -1.48 0.52 0.00 0.00 0.00 179.25 177.98 1s64 h MET 124 N 0.00 0.34 -0.78 0.00 2.86 -0.23 -1.72 114.93 115.40 1s64 h MET 124 Ca -0.00 -0.57 -0.02 0.00 -2.06 0.00 0.00 59.70 57.04 1s64 h MET 124 Cb 0.70 0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.54 1s64 h MET 124 CO 0.03 1.24 0.40 1.15 1.06 0.00 0.00 176.91 180.79 1s64 h THR 125 N 0.09 1.24 0.68 2.22 2.02 -0.76 0.55 112.91 118.95 1s64 h THR 125 Ca -0.23 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 1s64 h THR 125 Cb 2.05 0.23 0.01 0.00 -1.74 0.00 0.00 68.15 68.70 1s64 h THR 125 CO 0.20 0.27 -0.33 0.22 0.37 0.00 0.00 175.52 176.25 1s64 h TYR 126 N 1.08 -0.85 0.00 3.16 3.20 -1.35 -1.71 116.97 120.50 1s64 h TYR 126 Ca 0.27 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 1s64 h TYR 126 Cb 0.07 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1s64 h TYR 126 CO 0.01 -0.50 -0.19 1.79 -1.64 0.00 0.00 178.16 177.62 1s64 h THR 127 N -1.16 1.01 0.50 1.81 1.35 -1.24 -0.81 112.91 114.37 1s64 h THR 127 Ca -0.09 -0.69 -0.02 0.00 -0.55 0.00 0.00 66.41 65.05 1s64 h THR 127 Cb 0.73 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1s64 h THR 127 CO 0.15 0.19 -0.24 1.23 -0.25 0.00 0.00 175.52 176.60 1s64 h GLY 128 N 0.69 -0.70 0.81 5.82 0.00 0.15 0.10 103.07 109.94 1s64 h GLY 128 Ca -0.00 0.26 0.04 0.00 0.00 0.00 0.00 47.33 47.63 1s64 h GLY 128 CO 0.02 -0.26 0.46 1.41 0.00 0.00 0.00 176.54 178.18 1s64 h LEU 129 N -0.94 0.75 -0.83 3.11 3.38 -1.19 -1.39 115.31 118.20 1s64 h LEU 129 Ca -0.07 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1s64 h LEU 129 Cb 0.60 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1s64 h LEU 129 CO 0.11 0.50 0.52 -1.28 0.09 0.00 0.00 178.44 178.39 1s64 h SER 130 N 0.89 0.84 -0.46 -0.43 0.87 -1.07 -2.06 113.55 112.13 1s64 h SER 130 Ca 0.31 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.79 1s64 h SER 130 Cb 0.08 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1s64 h SER 130 CO -0.14 0.55 -0.06 0.00 -0.53 0.00 0.00 176.83 176.65 1s64 h LEU 132 N 0.70 0.53 -0.48 0.00 3.38 -0.83 -0.52 115.31 118.09 1s64 h LEU 132 Ca 0.12 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1s64 h LEU 132 Cb 0.59 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1s64 h LEU 132 CO 0.04 0.36 0.17 0.40 0.09 0.00 0.00 178.44 179.49 1s64 h ILE 133 N 0.66 1.22 -0.87 1.22 2.04 -1.29 -1.41 117.51 119.07 1s64 h ILE 133 Ca 0.26 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.41 1s64 h ILE 133 Cb 0.10 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1s64 h ILE 133 CO -0.14 0.26 0.58 0.40 0.00 0.00 0.00 178.15 179.26 1s64 h ILE 134 N 0.64 1.22 0.00 -0.67 2.04 -0.90 -2.14 117.51 117.69 1s64 h ILE 134 Ca 0.16 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1s64 h ILE 134 Cb 0.24 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1s64 h ILE 134 CO -0.01 0.22 0.00 0.18 0.00 0.00 0.00 178.15 178.54 1s64 n LEU 135 N -4.41 0.00 0.00 1.44 4.77 -0.25 -4.91 117.00 113.64 1s64 n LEU 135 Ca 0.10 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1s64 n LEU 135 Cb 0.03 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1s64 n LEU 135 CO 0.36 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1s64 n GLY 136 N 1.12 0.11 3.70 -0.72 0.00 -0.81 -4.95 105.19 103.65 1s64 n GLY 136 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1s64 n GLY 136 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s64 s ASP 137 N -2.04 3.66 0.00 1.61 -1.08 -0.57 -4.94 116.67 113.31 1s64 s ASP 137 Ca 0.00 2.36 0.19 0.00 -0.52 0.00 0.00 52.55 54.59 1s64 s ASP 137 Cb 0.00 -2.59 0.46 0.00 -1.46 0.00 0.00 42.92 39.34 1s64 s ASP 137 CO 0.00 -2.62 1.39 -0.90 0.52 0.00 0.00 175.17 173.56 1s64 n ASP 138 N -3.24 3.45 -1.23 -0.34 5.68 -1.26 -4.46 116.55 115.14 1s64 n ASP 138 Ca 0.13 -1.96 -0.15 0.00 -0.50 0.00 0.00 54.79 52.31 1s64 n ASP 138 Cb 0.50 -0.32 -0.06 0.00 -1.14 0.00 0.00 41.12 40.10 1s64 n ASP 138 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1s64 n LEU 139 N 1.29 -1.17 0.17 -2.12 4.32 -1.26 -4.89 117.00 113.35 1s64 n LEU 139 Ca 0.19 0.34 0.01 0.00 -0.02 0.00 0.00 56.01 56.53 1s64 n LEU 139 Cb 0.55 -2.24 0.30 0.00 -1.62 0.00 0.00 43.42 40.41 1s64 n LEU 139 CO 0.14 -0.74 0.66 0.77 -1.22 0.00 0.00 177.39 176.99 1s64 h SER 140 N 0.00 0.00 0.02 -1.43 4.64 -2.02 -2.61 113.55 112.14 1s64 h SER 140 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1s64 h SER 140 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1s64 h SER 140 CO 0.46 0.45 -0.01 0.54 -0.87 0.00 0.00 176.83 177.39 1s64 n ARG 141 N -4.01 1.36 -2.90 4.77 1.74 -1.26 -4.80 116.66 111.55 1s64 n ARG 141 Ca -0.02 -0.57 -0.41 0.00 -0.77 0.00 0.00 57.85 56.08 1s64 n ARG 141 Cb 0.47 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 1s64 n ARG 141 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1s64 s VAL 142 N -2.04 4.87 -1.17 1.55 1.01 -0.99 -4.96 120.40 118.68 1s64 s VAL 142 Ca 0.41 1.58 -0.21 0.00 0.00 0.00 0.00 61.98 63.76 1s64 s VAL 142 Cb 0.21 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.52 1s64 s VAL 142 CO 0.36 -0.02 1.67 -0.62 0.00 0.00 0.00 175.10 176.50 1s64 s ASP 143 N 1.24 6.43 0.23 3.32 -1.08 -1.26 -4.81 116.67 120.75 1s64 s ASP 143 Ca 0.36 -1.92 -0.07 0.00 -0.52 0.00 0.00 52.55 50.41 1s64 s ASP 143 Cb -0.16 -2.58 0.40 0.00 -1.46 0.00 0.00 42.92 39.12 1s64 s ASP 143 CO 0.10 -1.58 1.69 0.11 0.52 0.00 0.00 175.17 176.00 1s64 h LYS 144 N 8.79 0.24 -0.27 4.34 1.57 -1.92 -1.39 116.57 127.92 1s64 h LYS 144 Ca 0.32 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1s64 h LYS 144 Cb 0.93 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1s64 h LYS 144 CO 1.41 0.16 -0.08 0.93 -0.57 0.00 0.00 179.45 181.29 1s64 h GLU 145 N 0.25 0.43 -0.19 3.15 4.39 -1.99 -1.90 114.58 118.71 1s64 h GLU 145 Ca 0.38 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.91 1s64 h GLU 145 Cb 0.62 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1s64 h GLU 145 CO -0.49 0.53 -0.11 0.00 -1.16 0.00 0.00 179.01 177.78 1s64 h ALA 146 N 1.51 0.27 -0.57 3.43 0.00 -1.66 -1.06 119.26 121.18 1s64 h ALA 146 Ca 0.08 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1s64 h ALA 146 Cb 0.41 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1s64 h ALA 146 CO 0.02 0.12 0.36 0.00 0.00 0.00 0.00 179.25 179.75 1s64 h LEU 148 N 0.73 0.79 -0.54 0.00 3.38 -1.29 0.16 115.31 118.54 1s64 h LEU 148 Ca 0.22 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1s64 h LEU 148 Cb -0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1s64 h LEU 148 CO -0.07 0.80 0.11 0.00 0.09 0.00 0.00 178.44 179.37 1s64 h ALA 149 N 1.30 0.72 -0.50 1.53 0.00 -0.57 -0.91 119.26 120.83 1s64 h ALA 149 Ca 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1s64 h ALA 149 Cb 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1s64 h ALA 149 CO 0.01 0.44 0.27 0.78 0.00 0.00 0.00 179.25 180.75 1s64 h GLY 150 N 0.78 0.75 0.80 0.00 0.00 -0.20 -2.58 103.07 102.62 1s64 h GLY 150 Ca 0.17 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.16 1s64 h GLY 150 CO 0.01 0.33 -0.14 -2.00 0.00 0.00 0.00 176.54 174.74 1s64 h LEU 151 N 0.66 -0.37 -0.83 3.11 6.46 -0.36 -2.60 115.31 121.38 1s64 h LEU 151 Ca 0.17 0.04 0.16 0.00 -0.12 0.00 0.00 57.88 58.14 1s64 h LEU 151 Cb 0.06 0.14 -0.10 0.00 -0.73 0.00 0.00 40.66 40.02 1s64 h LEU 151 CO -0.03 -0.21 0.37 0.03 -0.62 0.00 0.00 178.44 177.99 1s64 h ARG 152 N -0.29 0.48 0.00 1.25 3.08 -0.92 0.75 114.38 118.73 1s64 h ARG 152 Ca 0.01 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1s64 h ARG 152 Cb 0.29 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1s64 h ARG 152 CO -0.06 0.32 -0.01 0.00 -1.07 0.00 0.00 179.97 179.15 1s64 h ALA 153 N 1.59 1.15 0.00 0.04 0.00 -1.07 -2.52 119.26 118.45 1s64 h ALA 153 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1s64 h ALA 153 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1s64 h ALA 153 CO -0.42 0.02 -0.32 -0.07 0.00 0.00 0.00 179.25 178.45 1s64 h LEU 154 N 0.00 0.00 -9.59 0.00 3.38 -0.72 -3.47 115.31 104.91 1s64 h LEU 154 Ca -0.00 -0.08 -0.52 0.00 0.09 0.00 0.00 57.88 57.37 1s64 h LEU 154 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1s64 h LEU 154 CO 0.00 0.04 0.41 -1.58 0.09 0.00 0.00 178.44 177.40 1s64 s GLN 155 N -3.16 4.65 0.59 1.13 0.74 -0.95 -1.46 119.66 121.20 1s64 s GLN 155 Ca 0.08 1.55 0.00 0.00 0.05 0.00 0.00 55.36 57.04 1s64 s GLN 155 Cb 0.12 -3.34 0.05 0.00 1.10 0.00 0.00 33.01 30.93 1s64 s GLN 155 CO 0.67 0.14 0.83 -0.51 -0.55 0.00 0.00 175.29 175.87 1s64 s LEU 156 N -0.05 3.19 0.31 3.68 1.43 0.48 -4.97 118.68 122.75 1s64 s LEU 156 Ca 0.48 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1s64 s LEU 156 Cb -0.26 -2.76 0.60 0.00 0.03 0.00 0.00 46.19 43.81 1s64 s LEU 156 CO 0.31 -1.29 1.89 1.05 0.23 0.00 0.00 176.35 178.54 1s64 h GLU 157 N -0.08 0.92 0.00 1.70 4.11 -1.97 -0.78 114.58 118.49 1s64 h GLU 157 Ca -0.41 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1s64 h GLU 157 Cb 1.29 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1s64 h GLU 157 CO 0.51 0.61 0.00 -0.40 0.07 0.00 0.00 179.01 179.80 1s64 n ASP 158 N -4.53 0.00 0.00 3.06 3.85 -1.26 -4.88 116.55 112.78 1s64 n ASP 158 Ca 0.16 -0.96 0.00 0.00 -0.71 0.00 0.00 54.79 53.28 1s64 n ASP 158 Cb 0.29 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 1s64 n ASP 158 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s64 n GLY 159 N 0.59 2.83 3.94 6.12 0.00 -0.30 -4.06 105.19 114.31 1s64 n GLY 159 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1s64 n GLY 159 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s64 s SER 160 N -1.28 3.09 0.19 1.61 1.04 -1.26 -4.02 113.70 113.07 1s64 s SER 160 Ca 0.00 0.20 0.08 0.00 0.48 0.00 0.00 55.95 56.71 1s64 s SER 160 Cb 0.00 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.85 1s64 s SER 160 CO 0.00 -2.74 -0.17 -0.36 0.98 0.00 0.00 173.24 170.95 1s64 s PHE 161 N -3.87 1.80 0.42 5.02 0.40 -1.26 -0.38 117.98 120.11 1s64 s PHE 161 Ca 0.74 -0.50 0.08 0.00 -0.60 0.00 0.00 56.93 56.65 1s64 s PHE 161 Cb -0.03 -0.86 -0.01 0.00 0.51 0.00 0.00 43.02 42.63 1s64 s PHE 161 CO 0.53 0.38 0.46 0.00 0.70 0.00 0.00 175.22 177.28 1s64 n ALA 163 N -1.67 1.42 -2.87 0.00 0.00 -1.26 -4.78 120.51 111.36 1s64 n ALA 163 Ca 0.05 -0.88 -0.13 0.00 0.00 0.00 0.00 53.44 52.49 1s64 n ALA 163 Cb 0.61 -0.67 -0.12 0.00 0.00 0.00 0.00 19.45 19.27 1s64 n ALA 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1s64 s VAL 164 N -2.57 0.45 0.57 0.00 -7.23 -1.26 -0.63 120.40 109.73 1s64 s VAL 164 Ca -0.09 -0.96 0.25 0.00 -1.81 0.00 0.00 61.98 59.37 1s64 s VAL 164 Cb 0.07 -0.52 0.34 0.00 0.56 0.00 0.00 36.38 36.83 1s64 s VAL 164 CO 0.81 -0.35 2.16 1.55 -0.31 0.00 0.00 175.10 178.96 1s64 h PRO 165 N 4.68 0.00 0.00 4.82 0.13 -1.86 -0.59 132.00 139.18 1s64 h PRO 165 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1s64 h PRO 165 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s64 h PRO 165 CO 0.42 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.58 1s64 n GLU 166 N -4.07 0.09 0.00 0.86 4.71 -1.26 -4.97 120.64 116.01 1s64 n GLU 166 Ca -0.00 0.28 0.00 0.00 -0.01 0.00 0.00 57.16 57.43 1s64 n GLU 166 Cb 0.21 -1.66 0.00 0.00 -1.01 0.00 0.00 31.44 28.98 1s64 n GLU 166 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s64 n GLY 167 N 0.28 2.83 0.65 0.62 0.00 -0.23 -5.17 105.19 104.18 1s64 n GLY 167 Ca 0.04 -1.69 -0.00 0.00 0.00 0.00 0.00 46.02 44.36 1s64 n GLY 167 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s64 n SER 168 N 0.00 -0.26 -4.80 1.61 3.41 -1.26 -4.71 113.62 107.61 1s64 n SER 168 Ca 0.00 -1.11 -0.31 0.00 -0.26 0.00 0.00 58.87 57.19 1s64 n SER 168 Cb 0.00 0.41 0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1s64 n SER 168 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1s64 s GLU 169 N -2.01 2.72 -0.04 4.33 1.03 -1.26 -4.87 118.70 118.61 1s64 s GLU 169 Ca 0.04 1.07 0.02 0.00 0.03 0.00 0.00 54.97 56.13 1s64 s GLU 169 Cb -0.00 -1.96 0.01 0.00 -0.80 0.00 0.00 34.13 31.38 1s64 s GLU 169 CO 0.01 -1.28 -0.08 0.54 -1.33 0.00 0.00 175.26 173.12 1s64 s ASN 170 N -3.51 1.15 0.09 0.83 4.22 -1.26 -4.17 114.94 112.28 1s64 s ASN 170 Ca 0.60 -0.18 -0.07 0.00 -2.14 0.00 0.00 52.86 51.07 1s64 s ASN 170 Cb -0.16 -0.42 0.03 0.00 1.28 0.00 0.00 41.25 41.98 1s64 s ASN 170 CO 0.53 0.02 0.34 -0.90 -2.04 0.00 0.00 177.10 175.06 1s64 n ASP 171 N 3.60 -0.67 -0.18 3.54 5.68 -1.19 -4.93 116.55 122.40 1s64 n ASP 171 Ca -0.21 -1.39 0.11 0.00 -0.50 0.00 0.00 54.79 52.80 1s64 n ASP 171 Cb 0.53 1.10 0.42 0.00 -1.14 0.00 0.00 41.12 42.03 1s64 n ASP 171 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1s64 h MET 172 N 0.00 0.58 -0.79 0.11 1.85 -1.75 -2.38 114.93 112.55 1s64 h MET 172 Ca -0.10 -0.03 0.13 0.00 -0.61 0.00 0.00 59.70 59.08 1s64 h MET 172 Cb 0.43 -0.13 -0.09 0.00 0.43 0.00 0.00 31.60 32.24 1s64 h MET 172 CO 0.14 0.38 0.39 0.00 -0.40 0.00 0.00 176.91 177.42 1s64 h ARG 173 N 0.59 0.57 0.00 0.39 3.08 -1.94 -0.98 114.38 116.09 1s64 h ARG 173 Ca 0.35 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 1s64 h ARG 173 Cb 0.56 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1s64 h ARG 173 CO -0.13 0.38 -0.06 0.74 -1.07 0.00 0.00 179.97 179.83 1s64 h PHE 174 N 0.59 0.00 -0.42 3.04 0.05 -1.71 -2.62 116.94 115.86 1s64 h PHE 174 Ca 0.42 0.00 -0.14 0.00 3.82 0.00 0.00 57.97 62.08 1s64 h PHE 174 Cb 0.57 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.50 1s64 h PHE 174 CO -0.11 0.03 -0.28 0.28 -0.18 0.00 0.00 178.31 178.05 1s64 h VAL 175 N 0.00 1.27 -0.48 -0.55 2.07 -1.12 -0.48 116.25 116.97 1s64 h VAL 175 Ca -0.00 -1.44 -0.07 0.00 0.82 0.00 0.00 66.70 66.01 1s64 h VAL 175 Cb 1.02 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1s64 h VAL 175 CO 0.00 0.49 0.04 0.22 0.02 0.00 0.00 177.57 178.33 1s64 h TYR 176 N 0.76 0.89 -0.44 1.57 3.20 -1.11 -0.79 116.97 121.04 1s64 h TYR 176 Ca 0.09 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1s64 h TYR 176 Cb 0.84 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1s64 h TYR 176 CO 0.05 0.83 0.22 0.00 -1.64 0.00 0.00 178.16 177.63 1s64 h ALA 178 N 1.07 0.48 -0.56 0.00 0.00 -0.91 -1.17 119.26 118.17 1s64 h ALA 178 Ca 0.15 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1s64 h ALA 178 Cb 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1s64 h ALA 178 CO -0.02 -0.10 0.36 0.77 0.00 0.00 0.00 179.25 180.25 1s64 h SER 179 N 0.47 0.60 -0.78 0.00 0.02 -0.80 -1.16 113.55 111.90 1s64 h SER 179 Ca 0.15 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1s64 h SER 179 Cb -0.01 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1s64 h SER 179 CO -0.06 0.42 0.32 0.00 -1.14 0.00 0.00 176.83 176.37 1s64 h ILE 181 N 1.12 1.17 -0.99 0.00 2.04 -0.80 0.13 117.51 120.20 1s64 h ILE 181 Ca 0.26 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.61 1s64 h ILE 181 Cb 0.21 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 1s64 h ILE 181 CO -0.02 0.15 0.65 0.00 0.00 0.00 0.00 178.15 178.93 1s64 h TYR 183 N 1.30 0.49 -0.33 0.00 3.20 -0.89 -0.62 116.97 120.12 1s64 h TYR 183 Ca 0.37 -0.07 -0.12 0.00 3.14 0.00 0.00 58.73 62.05 1s64 h TYR 183 Cb -0.09 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1s64 h TYR 183 CO -0.00 0.58 -0.27 0.52 -1.64 0.00 0.00 178.16 177.35 1s64 h MET 184 N 0.26 0.67 -0.16 1.82 2.86 -0.58 -1.69 114.93 118.11 1s64 h MET 184 Ca 0.08 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1s64 h MET 184 Cb 0.37 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1s64 h MET 184 CO 0.01 0.87 0.00 1.28 1.06 0.00 0.00 176.91 180.13 1s64 n LEU 185 N -4.09 1.12 -4.33 1.22 4.77 -0.09 -4.90 117.00 110.70 1s64 n LEU 185 Ca -0.00 -0.51 -0.32 0.00 -0.03 0.00 0.00 56.01 55.14 1s64 n LEU 185 Cb 0.45 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 1s64 n LEU 185 CO 0.44 0.26 -0.41 -3.20 -1.33 0.00 0.00 177.39 173.15 1s64 n ASN 186 N 0.03 0.43 -3.54 -1.43 5.15 -0.42 -4.92 115.26 110.55 1s64 n ASN 186 Ca 0.12 -1.25 -0.03 0.00 -0.60 0.00 0.00 54.58 52.81 1s64 n ASN 186 Cb 0.21 -1.71 -0.06 0.00 -0.53 0.00 0.00 39.78 37.70 1s64 n ASN 186 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1s64 s ASN 187 N -4.21 -0.77 -0.14 1.20 3.84 -0.37 -5.03 114.94 109.46 1s64 s ASN 187 Ca 0.13 1.14 0.11 0.00 0.21 0.00 0.00 52.86 54.45 1s64 s ASN 187 Cb -0.07 1.87 0.56 0.00 -0.55 0.00 0.00 41.25 43.05 1s64 s ASN 187 CO 1.00 -0.24 1.39 0.79 -2.79 0.00 0.00 177.10 177.24 1s64 n TRP 188 N 5.42 1.33 0.96 0.43 7.02 -1.26 -4.04 117.44 127.29 1s64 n TRP 188 Ca -0.08 -0.48 0.10 0.00 -1.02 0.00 0.00 57.50 56.02 1s64 n TRP 188 Cb 0.50 -0.32 0.52 0.00 -2.42 0.00 0.00 31.31 29.59 1s64 n TRP 188 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1s64 n SER 189 N 0.56 0.00 0.01 -0.99 3.41 -1.26 -2.65 113.62 112.70 1s64 n SER 189 Ca 0.19 0.03 0.09 0.00 -0.26 0.00 0.00 58.87 58.92 1s64 n SER 189 Cb 0.83 -0.30 0.38 0.00 -0.26 0.00 0.00 64.21 64.85 1s64 n SER 189 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s64 n GLY 190 N 0.49 -1.12 3.35 5.00 0.00 -1.26 -4.81 105.19 106.85 1s64 n GLY 190 Ca 0.09 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1s64 n GLY 190 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s64 s MET 191 N -3.03 1.13 -0.92 1.61 0.23 -1.08 -2.61 119.30 114.62 1s64 s MET 191 Ca 0.08 -0.79 -0.17 0.00 -1.03 0.00 0.00 55.69 53.78 1s64 s MET 191 Cb 0.11 0.47 0.17 0.00 -1.53 0.00 0.00 34.83 34.04 1s64 s MET 191 CO 0.33 -0.45 1.03 0.34 -2.03 0.00 0.00 175.02 174.24 1s64 s ASP 192 N -2.83 6.72 0.35 -1.18 3.68 -1.26 -4.89 116.67 117.25 1s64 s ASP 192 Ca 0.05 -2.35 0.11 0.00 2.13 0.00 0.00 52.55 52.50 1s64 s ASP 192 Cb 0.02 -2.33 0.90 0.00 -1.45 0.00 0.00 42.92 40.05 1s64 s ASP 192 CO -0.09 -0.87 1.79 -0.03 0.13 0.00 0.00 175.17 176.10 1s64 h MET 193 N 8.34 0.58 -0.58 4.34 1.85 -1.98 -1.52 114.93 125.97 1s64 h MET 193 Ca 0.15 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.19 1s64 h MET 193 Cb 1.02 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.89 1s64 h MET 193 CO 1.00 0.39 0.31 -0.22 -0.40 0.00 0.00 176.91 177.99 1s64 h LYS 194 N 0.60 0.81 -0.19 0.39 3.64 -2.00 -0.92 116.57 118.91 1s64 h LYS 194 Ca 0.56 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 59.70 1s64 h LYS 194 Cb 1.09 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1s64 h LYS 194 CO -0.32 0.63 -0.45 0.87 -2.27 0.00 0.00 179.45 177.92 1s64 h LYS 195 N 0.78 0.47 -0.27 1.90 1.57 -1.67 -2.16 116.57 117.19 1s64 h LYS 195 Ca 0.20 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1s64 h LYS 195 Cb 0.06 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1s64 h LYS 195 CO -0.03 0.83 0.09 0.00 -0.57 0.00 0.00 179.45 179.77 1s64 h ALA 196 N 1.14 0.35 -0.96 3.86 0.00 -1.08 -1.53 119.26 121.04 1s64 h ALA 196 Ca 0.03 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1s64 h ALA 196 Cb 0.93 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1s64 h ALA 196 CO 0.08 -0.03 0.63 0.82 0.00 0.00 0.00 179.25 180.74 1s64 h ILE 197 N 0.27 1.19 -0.76 0.00 2.04 -1.09 -0.82 117.51 118.34 1s64 h ILE 197 Ca 0.09 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1s64 h ILE 197 Cb 0.22 -0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.10 1s64 h ILE 197 CO -0.00 0.23 0.48 -1.28 0.00 0.00 0.00 178.15 177.57 1s64 h SER 198 N 1.24 0.89 -0.39 1.72 0.87 -1.05 -0.57 113.55 116.27 1s64 h SER 198 Ca 0.37 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 1s64 h SER 198 Cb -0.05 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 1s64 h SER 198 CO -0.11 0.68 0.18 0.22 -0.53 0.00 0.00 176.83 177.27 1s64 h TYR 199 N 1.03 0.57 -0.84 2.24 3.20 -0.24 -1.11 116.97 121.83 1s64 h TYR 199 Ca 0.27 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 1s64 h TYR 199 Cb -0.07 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 37.98 1s64 h TYR 199 CO -0.01 0.48 0.51 0.82 -1.64 0.00 0.00 178.16 178.32 1s64 h ILE 200 N 0.48 1.23 -0.30 1.81 2.04 -0.73 -2.30 117.51 119.75 1s64 h ILE 200 Ca 0.13 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1s64 h ILE 200 Cb 0.14 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 1s64 h ILE 200 CO -0.02 0.24 0.04 0.03 0.00 0.00 0.00 178.15 178.44 1s64 h ARG 201 N 1.15 0.50 0.00 2.37 3.08 -0.85 -2.74 114.38 117.90 1s64 h ARG 201 Ca 0.30 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1s64 h ARG 201 Cb -0.06 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1s64 h ARG 201 CO -0.06 0.62 0.00 0.54 -1.07 0.00 0.00 179.97 180.00 1s64 n ARG 202 N -4.62 0.09 0.00 0.04 3.00 -0.44 -1.84 116.66 112.89 1s64 n ARG 202 Ca -0.02 0.46 0.13 0.00 -0.01 0.00 0.00 57.85 58.41 1s64 n ARG 202 Cb 0.22 -1.72 0.38 0.00 0.00 0.00 0.00 32.46 31.34 1s64 n ARG 202 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1s64 n SER 203 N -1.89 0.38 -4.72 0.55 3.41 -0.89 -4.02 113.62 106.44 1s64 n SER 203 Ca 0.01 -0.08 -0.42 0.00 -0.26 0.00 0.00 58.87 58.12 1s64 n SER 203 Cb 0.10 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 1s64 n SER 203 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1s64 s MET 204 N -2.96 4.24 0.64 4.33 0.00 -0.77 -1.52 119.30 123.27 1s64 s MET 204 Ca 0.13 2.29 -0.03 0.00 0.00 0.00 0.00 55.69 58.09 1s64 s MET 204 Cb 0.18 -3.20 0.06 0.00 0.00 0.00 0.00 34.83 31.87 1s64 s MET 204 CO 0.64 -0.58 0.92 0.45 0.00 0.00 0.00 175.02 176.44 1s64 s SER 205 N 1.21 4.94 0.54 1.11 0.15 -0.12 -4.87 113.70 116.66 1s64 s SER 205 Ca 0.69 0.19 0.30 0.00 0.70 0.00 0.00 55.95 57.83 1s64 s SER 205 Cb -0.42 -0.90 1.54 0.00 -1.71 0.00 0.00 66.02 64.53 1s64 s SER 205 CO 0.31 -1.45 2.09 0.10 1.20 0.00 0.00 173.24 175.49 1s64 h TYR 206 N -0.33 0.00 -0.21 3.44 -0.00 -1.94 -0.79 116.97 117.13 1s64 h TYR 206 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.30 1s64 h TYR 206 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.03 1s64 h TYR 206 CO 0.28 0.09 0.00 -0.40 -0.00 0.00 0.00 178.16 178.13 1s64 n ASP 207 N -3.48 1.87 0.00 0.10 3.85 -1.26 -4.94 116.55 112.69 1s64 n ASP 207 Ca -0.02 -1.77 0.00 0.00 -0.71 0.00 0.00 54.79 52.29 1s64 n ASP 207 Cb 0.23 -0.14 0.00 0.00 -1.35 0.00 0.00 41.12 39.87 1s64 n ASP 207 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1s64 n ASN 208 N 0.47 0.00 -4.57 -1.12 3.02 -0.30 -4.79 115.26 107.96 1s64 n ASN 208 Ca 0.16 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.44 1s64 n ASN 208 Cb 0.35 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.65 1s64 n ASN 208 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1s64 s GLY 209 N -1.96 1.73 -0.11 7.41 0.00 -1.26 -4.24 107.32 108.89 1s64 s GLY 209 Ca 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.49 1s64 s GLY 209 CO 0.00 -0.60 0.03 1.08 0.00 0.00 0.00 173.10 173.61 1s64 s LEU 210 N -5.49 3.71 0.53 0.66 1.02 -1.26 -0.95 118.68 116.90 1s64 s LEU 210 Ca 0.67 0.16 0.08 0.00 0.02 0.00 0.00 54.13 55.05 1s64 s LEU 210 Cb -0.07 -1.88 0.05 0.00 0.02 0.00 0.00 46.19 44.31 1s64 s LEU 210 CO 0.48 0.33 0.57 0.00 0.02 0.00 0.00 176.35 177.75 1s64 s ALA 211 N -0.59 4.51 0.35 4.21 0.00 -0.57 -1.15 121.76 128.51 1s64 s ALA 211 Ca 0.10 -1.73 0.22 0.00 0.00 0.00 0.00 51.96 50.55 1s64 s ALA 211 Cb -0.12 -1.12 1.12 0.00 0.00 0.00 0.00 23.12 23.00 1s64 s ALA 211 CO 0.02 -0.58 1.95 1.96 0.00 0.00 0.00 175.76 179.11 1s64 h GLN 212 N 0.54 0.00 -2.45 0.00 1.08 -1.88 -3.45 115.11 108.95 1s64 h GLN 212 Ca -0.35 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.00 1s64 h GLN 212 Cb 1.29 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 28.64 1s64 h GLN 212 CO 0.50 0.22 0.44 0.20 -0.95 0.00 0.00 178.83 179.23 1s64 s GLY 213 N -4.25 -0.25 0.16 3.46 0.00 -1.26 -2.15 107.32 103.04 1s64 s GLY 213 Ca -0.02 0.16 -0.34 0.00 0.00 0.00 0.00 44.72 44.52 1s64 s GLY 213 CO 0.64 0.03 1.42 0.00 0.00 0.00 0.00 173.10 175.18 1s64 n ALA 214 N -0.44 0.37 0.00 3.20 0.00 -1.26 -2.11 120.51 120.27 1s64 n ALA 214 Ca -0.06 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1s64 n ALA 214 Cb 0.61 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1s64 n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s64 n GLY 215 N 2.69 2.92 3.86 0.00 0.00 -1.26 -5.03 105.19 108.37 1s64 n GLY 215 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1s64 n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s64 s LEU 216 N 0.00 2.94 0.09 0.99 1.02 -0.90 -4.99 118.68 117.83 1s64 s LEU 216 Ca 0.00 1.26 -0.31 0.00 0.02 0.00 0.00 54.13 55.10 1s64 s LEU 216 Cb 0.00 -4.09 -0.09 0.00 0.02 0.00 0.00 46.19 42.03 1s64 s LEU 216 CO 0.00 -1.34 1.62 -0.70 0.02 0.00 0.00 176.35 175.95 1s64 s GLU 217 N -5.26 4.21 0.56 1.70 2.12 -1.26 -4.67 118.70 116.09 1s64 s GLU 217 Ca 0.58 2.32 -0.21 0.00 0.36 0.00 0.00 54.97 58.01 1s64 s GLU 217 Cb -0.12 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 1s64 s GLU 217 CO 0.53 -0.70 1.37 -1.54 -0.54 0.00 0.00 175.26 174.38 1s64 s SER 218 N 2.13 5.19 0.00 -1.70 1.04 -1.26 -4.46 113.70 114.64 1s64 s SER 218 Ca 0.73 2.79 -0.06 0.00 0.48 0.00 0.00 55.95 59.88 1s64 s SER 218 Cb -0.40 -2.64 -0.00 0.00 0.10 0.00 0.00 66.02 63.08 1s64 s SER 218 CO 0.32 -1.63 0.12 -2.28 0.98 0.00 0.00 173.24 170.75 1s64 s HIS 219 N -1.29 0.06 0.34 5.02 2.46 -0.30 -4.82 115.29 116.75 1s64 s HIS 219 Ca 0.72 -0.15 0.03 0.00 0.47 0.00 0.00 55.06 56.13 1s64 s HIS 219 Cb -0.41 -0.06 0.64 0.00 -0.13 0.00 0.00 32.58 32.62 1s64 s HIS 219 CO 0.48 -0.27 1.97 0.78 -2.47 0.00 0.00 174.74 175.24 1s64 h GLY 220 N 4.38 1.00 0.61 1.59 0.00 -0.36 -0.27 103.07 110.02 1s64 h GLY 220 Ca -0.31 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1s64 h GLY 220 CO 0.41 0.30 -0.02 -1.33 0.00 0.00 0.00 176.54 175.89 1s64 h GLY 221 N 0.87 0.09 1.83 4.60 0.00 -1.91 -2.13 103.07 106.41 1s64 h GLY 221 Ca 0.29 -0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.45 1s64 h GLY 221 CO -0.08 0.07 -0.34 1.48 0.00 0.00 0.00 176.54 177.67 1s64 h SER 222 N -0.33 0.20 -0.55 0.19 4.64 -1.76 -1.17 113.55 114.77 1s64 h SER 222 Ca 0.01 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 1s64 h SER 222 Cb 0.47 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1s64 h SER 222 CO 0.01 0.54 0.07 0.74 -0.87 0.00 0.00 176.83 177.31 1s64 h THR 223 N 0.17 1.26 -0.02 2.95 2.02 -1.04 0.86 112.91 119.11 1s64 h THR 223 Ca 0.02 -1.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 1s64 h THR 223 Cb 0.70 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1s64 h THR 223 CO 0.05 0.36 0.01 0.15 0.37 0.00 0.00 175.52 176.46 1s64 h PHE 224 N 0.81 0.02 -0.82 3.16 3.57 -1.00 -0.65 116.94 122.04 1s64 h PHE 224 Ca 0.16 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.73 1s64 h PHE 224 Cb 0.44 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 1s64 h PHE 224 CO 0.03 0.11 0.49 0.00 -2.23 0.00 0.00 178.31 176.71 1s64 h GLY 226 N 0.89 -0.33 0.96 0.00 0.00 -0.64 -1.82 103.07 102.13 1s64 h GLY 226 Ca 0.36 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 1s64 h GLY 226 CO -0.19 -0.12 0.19 -2.22 0.00 0.00 0.00 176.54 174.20 1s64 h ILE 227 N -0.64 1.16 -0.70 2.60 1.08 -0.92 -2.18 117.51 117.92 1s64 h ILE 227 Ca -0.03 -0.46 -0.04 0.00 -0.39 0.00 0.00 64.86 63.94 1s64 h ILE 227 Cb 0.45 0.76 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 1s64 h ILE 227 CO 0.05 0.17 0.28 0.00 -0.69 0.00 0.00 178.15 177.96 1s64 h ALA 228 N 1.04 1.17 -0.27 1.87 0.00 -0.57 -1.07 119.26 121.43 1s64 h ALA 228 Ca 0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1s64 h ALA 228 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1s64 h ALA 228 CO -0.02 0.60 0.16 0.77 0.00 0.00 0.00 179.25 180.76 1s64 h SER 229 N 1.01 0.32 -0.81 0.00 0.02 -1.11 0.17 113.55 113.16 1s64 h SER 229 Ca 0.23 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1s64 h SER 229 Cb 0.20 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 1s64 h SER 229 CO -0.02 0.28 0.46 -0.07 -1.14 0.00 0.00 176.83 176.34 1s64 h LEU 230 N 0.33 1.00 -0.74 5.07 3.38 -1.01 -1.13 115.31 122.21 1s64 h LEU 230 Ca 0.09 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1s64 h LEU 230 Cb 0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1s64 h LEU 230 CO -0.02 0.80 0.15 0.00 0.09 0.00 0.00 178.44 179.46 1s64 h LEU 232 N 1.05 0.32 0.00 0.00 4.07 -0.50 -0.94 115.31 119.31 1s64 h LEU 232 Ca 0.22 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1s64 h LEU 232 Cb 0.39 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1s64 h LEU 232 CO 0.01 0.46 -0.13 0.23 -1.08 0.00 0.00 178.44 177.92 1s64 n MET 233 N -4.27 0.22 -2.94 1.13 2.81 -0.47 -4.93 117.12 108.68 1s64 n MET 233 Ca 0.00 0.15 -0.12 0.00 -1.81 0.00 0.00 57.70 55.92 1s64 n MET 233 Cb 0.27 -1.73 0.03 0.00 -0.71 0.00 0.00 33.22 31.08 1s64 n MET 233 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s64 n GLY 234 N 1.35 0.15 0.46 3.03 0.00 0.41 -4.95 105.19 105.63 1s64 n GLY 234 Ca 0.05 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 45.88 1s64 n GLY 234 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s64 n LYS 235 N -2.71 0.53 0.24 1.61 5.02 -0.27 -4.88 118.16 117.71 1s64 n LYS 235 Ca -0.01 -1.78 -0.16 0.00 -2.02 0.00 0.00 58.31 54.34 1s64 n LYS 235 Cb 0.54 -0.86 -0.08 0.00 -0.02 0.00 0.00 35.03 34.61 1s64 n LYS 235 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1s64 h LEU 236 N 0.16 -1.10 -1.19 -0.35 6.46 -1.91 -1.07 115.31 116.32 1s64 h LEU 236 Ca -0.02 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 1s64 h LEU 236 Cb 1.29 0.37 -0.05 0.00 -0.73 0.00 0.00 40.66 41.54 1s64 h LEU 236 CO 0.01 -0.55 0.56 -0.33 -0.62 0.00 0.00 178.44 177.51 1s64 h GLU 237 N -0.82 1.03 -0.20 1.25 4.39 -1.90 -2.13 114.58 116.20 1s64 h GLU 237 Ca -0.03 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.47 1s64 h GLU 237 Cb 0.73 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1s64 h GLU 237 CO -0.07 0.68 -0.44 1.49 -1.16 0.00 0.00 179.01 179.51 1s64 h GLU 238 N 1.06 0.49 0.21 2.33 4.81 -1.84 -3.34 114.58 118.30 1s64 h GLU 238 Ca 0.34 -0.26 -0.35 0.00 -0.13 0.00 0.00 59.36 58.96 1s64 h GLU 238 Cb 0.02 0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.44 1s64 h GLU 238 CO -0.10 0.84 -1.64 0.28 -0.73 0.00 0.00 179.01 177.66 1s64 h VAL 239 N 0.40 1.07 -3.70 0.32 2.07 -0.90 -3.46 116.25 112.05 1s64 h VAL 239 Ca 0.03 -2.58 -0.68 0.00 0.82 0.00 0.00 66.70 64.29 1s64 h VAL 239 Cb 0.94 2.87 -0.22 0.00 -1.52 0.00 0.00 31.29 33.36 1s64 h VAL 239 CO 0.08 0.84 -0.73 -0.36 0.02 0.00 0.00 177.57 177.42 1s64 s PHE 240 N -2.58 2.84 0.85 1.57 2.99 -0.83 -5.08 117.98 117.73 1s64 s PHE 240 Ca -0.14 -0.19 -0.12 0.00 0.00 0.00 0.00 56.93 56.49 1s64 s PHE 240 Cb 0.05 -1.73 0.10 0.00 0.00 0.00 0.00 43.02 41.44 1s64 s PHE 240 CO 0.89 0.15 1.11 -1.54 -0.00 0.00 0.00 175.22 175.83 1s64 s SER 241 N -0.46 4.03 0.22 1.36 1.04 -1.26 -4.63 113.70 114.00 1s64 s SER 241 Ca 0.06 1.20 -0.09 0.00 0.48 0.00 0.00 55.95 57.61 1s64 s SER 241 Cb -0.12 -1.88 0.21 0.00 0.10 0.00 0.00 66.02 64.33 1s64 s SER 241 CO 0.02 -2.25 1.87 -0.08 0.98 0.00 0.00 173.24 173.78 1s64 h GLU 242 N -1.28 0.96 -0.67 4.02 4.81 -1.99 0.37 114.58 120.80 1s64 h GLU 242 Ca -0.49 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1s64 h GLU 242 Cb 1.29 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 1s64 h GLU 242 CO 0.60 0.64 0.39 -0.22 -0.73 0.00 0.00 179.01 179.69 1s64 h LYS 243 N 0.99 0.91 -0.14 1.92 1.63 -1.99 -0.70 116.57 119.19 1s64 h LYS 243 Ca 0.31 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 60.01 1s64 h LYS 243 Cb -0.02 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.42 1s64 h LYS 243 CO -0.10 0.66 0.05 0.93 -3.45 0.00 0.00 179.45 177.54 1s64 h GLU 244 N 0.91 0.22 -0.39 1.90 5.08 -1.70 -2.02 114.58 118.57 1s64 h GLU 244 Ca 0.24 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1s64 h GLU 244 Cb -0.01 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1s64 h GLU 244 CO -0.04 0.33 0.24 -0.07 -1.00 0.00 0.00 179.01 178.47 1s64 h LEU 245 N 0.06 0.46 -0.76 1.33 3.38 -0.73 -0.53 115.31 118.53 1s64 h LEU 245 Ca 0.05 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1s64 h LEU 245 Cb 0.20 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1s64 h LEU 245 CO -0.00 0.35 -0.11 0.78 0.09 0.00 0.00 178.44 179.55 1s64 h ASN 246 N 0.54 0.82 -0.47 -0.43 2.35 -0.78 -0.16 115.58 117.45 1s64 h ASN 246 Ca 0.14 -0.25 -0.13 0.00 -0.55 0.00 0.00 56.30 55.51 1s64 h ASN 246 Cb -0.03 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1s64 h ASN 246 CO -0.03 0.95 -0.20 0.03 -1.65 0.00 0.00 177.43 176.54 1s64 h ARG 247 N 0.75 0.97 -0.37 0.81 3.08 -0.51 -1.28 114.38 117.82 1s64 h ARG 247 Ca 0.12 -0.41 -0.05 0.00 0.07 0.00 0.00 59.98 59.71 1s64 h ARG 247 Cb 0.61 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1s64 h ARG 247 CO 0.04 1.08 0.02 0.82 -1.07 0.00 0.00 179.97 180.86 1s64 h ILE 248 N 0.81 1.25 -0.65 2.04 2.04 -0.96 -1.55 117.51 120.49 1s64 h ILE 248 Ca 0.11 -0.94 0.05 0.00 1.00 0.00 0.00 64.86 65.08 1s64 h ILE 248 Cb 0.77 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 1s64 h ILE 248 CO 0.06 0.31 0.37 0.11 0.00 0.00 0.00 178.15 179.01 1s64 h LYS 249 N 0.46 0.68 -0.48 2.37 1.57 -0.89 -0.23 116.57 120.04 1s64 h LYS 249 Ca 0.11 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1s64 h LYS 249 Cb 0.43 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1s64 h LYS 249 CO 0.01 0.45 0.30 -0.09 -0.57 0.00 0.00 179.45 179.56 1s64 h ARG 250 N 0.70 0.64 -0.37 3.15 9.65 -0.97 -0.34 114.38 126.82 1s64 h ARG 250 Ca 0.29 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.12 1s64 h ARG 250 Cb 0.14 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 1s64 h ARG 250 CO -0.16 0.44 0.23 2.35 2.80 0.00 0.00 179.97 185.63 1s64 h TRP 251 N 0.64 0.49 0.15 2.20 7.01 -0.53 -2.43 115.95 123.47 1s64 h TRP 251 Ca 0.17 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 1s64 h TRP 251 Cb -0.05 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 26.85 1s64 h TRP 251 CO -0.04 0.34 -0.07 0.00 -2.79 0.00 0.00 178.44 175.88 1s64 h ILE 253 N -0.40 0.00 0.00 0.00 2.10 -1.05 -0.26 117.51 117.90 1s64 h ILE 253 Ca -0.02 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.73 1s64 h ILE 253 Cb 0.32 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 1s64 h ILE 253 CO 0.03 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.33 1s64 n MET 254 N -2.56 0.02 0.22 2.19 2.81 -0.92 -3.27 117.12 115.62 1s64 n MET 254 Ca -0.00 0.09 0.15 0.00 -1.81 0.00 0.00 57.70 56.12 1s64 n MET 254 Cb 0.16 -1.53 0.50 0.00 -0.71 0.00 0.00 33.22 31.64 1s64 n MET 254 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s64 h ARG 255 N 0.00 0.00 -6.28 0.03 2.47 -1.07 -3.44 114.38 106.08 1s64 h ARG 255 Ca 0.00 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.16 1s64 h ARG 255 Cb 0.45 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.74 1s64 h ARG 255 CO 0.00 0.00 0.61 -1.14 0.56 0.00 0.00 179.97 180.00 1s64 s GLN 256 N -3.43 4.40 -0.11 0.04 0.74 -1.20 -2.43 119.66 117.66 1s64 s GLN 256 Ca 0.04 1.49 -0.00 0.00 0.05 0.00 0.00 55.36 56.94 1s64 s GLN 256 Cb 0.08 -3.54 -0.07 0.00 1.10 0.00 0.00 33.01 30.58 1s64 s GLN 256 CO 0.55 -0.35 -0.11 1.04 -0.55 0.00 0.00 175.29 175.87 1s64 n GLN 257 N 5.03 0.28 0.10 1.67 1.13 -1.26 -4.97 117.38 119.35 1s64 n GLN 257 Ca 0.09 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1s64 n GLN 257 Cb 0.48 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.64 1s64 n GLN 257 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1s64 n ASN 258 N -2.92 -1.78 -0.49 1.08 0.23 -1.26 -5.07 115.26 105.05 1s64 n ASN 258 Ca -0.20 0.43 0.00 0.00 -0.53 0.00 0.00 54.58 54.28 1s64 n ASN 258 Cb 0.71 1.89 0.00 0.00 -2.08 0.00 0.00 39.78 40.29 1s64 n ASN 258 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s64 n GLY 259 N -1.45 1.56 3.30 4.83 0.00 -1.26 -2.35 105.19 109.82 1s64 n GLY 259 Ca 0.00 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 43.83 1s64 n GLY 259 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s64 s TYR 260 N 1.93 1.97 0.38 1.61 1.51 -1.26 -4.44 117.35 119.04 1s64 s TYR 260 Ca 0.00 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.74 1s64 s TYR 260 Cb 0.00 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 1s64 s TYR 260 CO 0.00 0.18 0.29 -3.38 -1.11 0.00 0.00 175.55 171.53 1s64 s HIS 261 N -0.96 2.76 -0.31 2.71 -3.43 -1.02 -1.16 115.29 113.88 1s64 s HIS 261 Ca 0.09 -0.42 0.23 0.00 -0.80 0.00 0.00 55.06 54.16 1s64 s HIS 261 Cb -0.10 -1.93 0.13 0.00 -1.43 0.00 0.00 32.58 29.25 1s64 s HIS 261 CO 0.03 0.09 1.25 0.78 -2.00 0.00 0.00 174.74 174.90 1s64 h GLY 262 N 1.23 0.00 -3.49 -1.38 0.00 -1.87 -3.45 103.07 94.12 1s64 h GLY 262 Ca -0.43 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1s64 h GLY 262 CO 0.60 0.00 0.21 1.09 0.00 0.00 0.00 176.54 178.44 1s64 s ARG 263 N -3.31 1.16 0.23 4.80 1.70 -1.26 0.39 118.95 122.66 1s64 s ARG 263 Ca 0.02 -0.12 -0.29 0.00 -0.47 0.00 0.00 55.73 54.87 1s64 s ARG 263 Cb 0.08 0.54 -0.16 0.00 -0.57 0.00 0.00 34.95 34.84 1s64 s ARG 263 CO 0.75 -0.45 0.80 -2.30 -1.08 0.00 0.00 175.30 173.02 1s64 n PRO 264 N 0.23 0.67 -1.89 3.89 -0.02 -1.26 -2.23 135.00 134.39 1s64 n PRO 264 Ca -0.18 0.24 -0.21 0.00 -2.02 0.00 0.00 63.50 61.33 1s64 n PRO 264 Cb 0.61 -1.45 -0.06 0.00 -0.02 0.00 0.00 33.50 32.58 1s64 n PRO 264 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1s64 n ASN 265 N 1.65 -5.63 -4.52 2.55 3.02 -1.26 -5.01 115.26 106.07 1s64 n ASN 265 Ca 0.14 0.31 -0.30 0.00 -0.03 0.00 0.00 54.58 54.71 1s64 n ASN 265 Cb 0.28 -4.83 -0.11 0.00 -0.61 0.00 0.00 39.78 34.51 1s64 n ASN 265 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1s64 s LYS 266 N -4.23 1.90 0.59 3.52 -0.14 -0.94 -5.12 119.74 115.33 1s64 s LYS 266 Ca 0.00 -1.12 -0.19 0.00 -1.36 0.00 0.00 55.97 53.30 1s64 s LYS 266 Cb 0.00 -2.18 -0.04 0.00 -1.68 0.00 0.00 37.83 33.93 1s64 s LYS 266 CO 0.00 0.49 1.18 -1.25 -0.76 0.00 0.00 175.35 175.01 1s64 s PRO 267 N -2.14 3.05 0.72 -1.68 0.04 -1.26 -4.77 135.00 128.95 1s64 s PRO 267 Ca 0.19 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 62.81 1s64 s PRO 267 Cb -0.11 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.51 1s64 s PRO 267 CO 0.11 -1.12 1.14 0.14 0.04 0.00 0.00 177.00 177.31 1s64 s VAL 268 N -1.72 2.89 -0.08 -0.36 -7.23 -1.26 -4.57 120.40 108.07 1s64 s VAL 268 Ca 0.75 0.39 -0.04 0.00 -1.81 0.00 0.00 61.98 61.28 1s64 s VAL 268 Cb -0.28 -2.88 0.04 0.00 0.56 0.00 0.00 36.38 33.83 1s64 s VAL 268 CO 0.32 -0.28 0.18 -0.62 -0.31 0.00 0.00 175.10 174.40 1s64 s ASP 269 N -2.55 0.03 0.30 4.85 -1.08 -0.31 -4.83 116.67 113.08 1s64 s ASP 269 Ca 0.68 0.39 0.01 0.00 -0.52 0.00 0.00 52.55 53.11 1s64 s ASP 269 Cb -0.23 0.30 0.72 0.00 -1.46 0.00 0.00 42.92 42.25 1s64 s ASP 269 CO 0.46 -0.18 1.54 0.41 0.52 0.00 0.00 175.17 177.92 1s64 n THR 270 N 4.49 -0.41 0.26 1.71 -1.04 -0.81 -1.01 114.28 117.48 1s64 n THR 270 Ca -0.21 2.17 0.17 0.00 -2.04 0.00 0.00 64.05 64.15 1s64 n THR 270 Cb 0.51 -3.15 0.91 0.00 -1.82 0.00 0.00 70.33 66.78 1s64 n THR 270 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s64 h TYR 272 N 0.00 0.00 0.00 0.00 0.05 -1.31 -0.98 116.97 114.74 1s64 h TYR 272 Ca 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 1s64 h TYR 272 Cb 0.30 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.04 1s64 h TYR 272 CO 0.00 0.00 -0.05 0.77 -1.05 0.00 0.00 178.16 177.83 1s64 h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.21 0.31 113.55 116.55 1s64 h SER 273 Ca 0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 1s64 h SER 273 Cb 0.45 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.94 1s64 h SER 273 CO 0.00 0.05 -1.91 0.33 -1.14 0.00 0.00 176.83 174.16 1s64 n PHE 274 N -3.72 0.29 -0.05 3.45 7.35 -0.44 -2.89 117.46 121.45 1s64 n PHE 274 Ca -0.02 0.13 -0.10 0.00 -0.76 0.00 0.00 57.45 56.69 1s64 n PHE 274 Cb 0.15 -0.94 -0.04 0.00 0.35 0.00 0.00 39.48 39.00 1s64 n PHE 274 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1s64 h TRP 275 N -1.00 -1.05 0.04 -5.13 4.06 -1.23 0.69 115.95 112.33 1s64 h TRP 275 Ca -0.48 0.05 -0.11 0.00 2.06 0.00 0.00 58.89 60.41 1s64 h TRP 275 Cb 1.39 0.50 0.01 0.00 -1.00 0.00 0.00 29.16 30.05 1s64 h TRP 275 CO -0.11 -0.43 -0.47 0.28 -3.56 0.00 0.00 178.44 174.16 1s64 h VAL 276 N -0.38 1.54 -0.80 1.49 2.07 -1.16 -3.06 116.25 115.96 1s64 h VAL 276 Ca 0.12 -2.21 0.08 0.00 0.82 0.00 0.00 66.70 65.51 1s64 h VAL 276 Cb 0.58 2.95 -0.07 0.00 -1.52 0.00 0.00 31.29 33.22 1s64 h VAL 276 CO -0.45 0.62 0.46 1.23 0.02 0.00 0.00 177.57 179.44 1s64 h GLY 277 N -0.44 1.22 1.63 2.17 0.00 -1.38 0.62 103.07 106.89 1s64 h GLY 277 Ca -0.07 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 1s64 h GLY 277 CO 0.09 0.15 -0.23 0.00 0.00 0.00 0.00 176.54 176.55 1s64 h ALA 278 N 1.43 1.17 -0.14 3.60 0.00 0.29 -0.36 119.26 125.26 1s64 h ALA 278 Ca 0.38 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1s64 h ALA 278 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1s64 h ALA 278 CO -0.23 0.53 0.00 1.15 0.00 0.00 0.00 179.25 180.70 1s64 h THR 279 N 0.39 1.25 -0.83 0.00 2.02 -1.09 -0.53 112.91 114.12 1s64 h THR 279 Ca 0.06 -0.83 0.04 0.00 0.77 0.00 0.00 66.41 66.46 1s64 h THR 279 Cb 0.62 1.52 -0.05 0.00 -1.74 0.00 0.00 68.15 68.50 1s64 h THR 279 CO 0.04 0.24 0.55 -0.07 0.37 0.00 0.00 175.52 176.65 1s64 h LEU 280 N -0.01 0.86 -0.43 2.58 3.38 -0.64 -0.07 115.31 120.99 1s64 h LEU 280 Ca 0.04 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1s64 h LEU 280 Cb 0.37 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1s64 h LEU 280 CO 0.01 0.58 0.11 0.50 0.09 0.00 0.00 178.44 179.73 1s64 h LYS 281 N 1.00 0.69 -0.01 1.13 1.63 -0.72 -0.63 116.57 119.66 1s64 h LYS 281 Ca 0.34 -0.16 -0.05 0.00 -0.85 0.00 0.00 60.65 59.92 1s64 h LYS 281 Cb 0.09 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1s64 h LYS 281 CO -0.11 0.69 -0.24 -0.07 -3.45 0.00 0.00 179.45 176.27 1s64 h LEU 282 N 0.56 0.01 -1.26 5.20 3.38 -0.10 -1.19 115.31 121.91 1s64 h LEU 282 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1s64 h LEU 282 Cb 0.31 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1s64 h LEU 282 CO 0.00 0.26 0.00 0.18 0.09 0.00 0.00 178.44 178.97 1s64 n LEU 283 N -4.25 1.85 -2.17 1.67 4.77 -0.13 -4.94 117.00 113.81 1s64 n LEU 283 Ca -0.02 -0.87 -0.20 0.00 -0.03 0.00 0.00 56.01 54.89 1s64 n LEU 283 Cb 0.30 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1s64 n LEU 283 CO 0.37 0.43 -0.25 0.29 -1.33 0.00 0.00 177.39 176.91 1s64 n LYS 284 N 0.48 -1.55 -0.15 3.23 4.01 -0.45 -4.88 118.16 118.84 1s64 n LYS 284 Ca 0.14 0.99 0.02 0.00 -0.51 0.00 0.00 58.31 58.95 1s64 n LYS 284 Cb 0.32 -5.56 0.03 0.00 -0.51 0.00 0.00 35.03 29.32 1s64 n LYS 284 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 1s64 n ILE 285 N -3.82 0.64 0.18 -0.18 -5.35 -0.35 -4.73 119.36 105.74 1s64 n ILE 285 Ca -0.23 -0.72 0.04 0.00 -0.27 0.00 0.00 62.75 61.57 1s64 n ILE 285 Cb 0.67 0.48 0.45 0.00 -1.74 0.00 0.00 39.64 39.51 1s64 n ILE 285 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 1s64 h PHE 286 N 0.00 0.08 -0.03 4.28 3.57 -1.80 -1.79 116.94 121.25 1s64 h PHE 286 Ca 0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1s64 h PHE 286 Cb 1.00 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1s64 h PHE 286 CO 0.03 0.26 0.16 -0.56 -2.23 0.00 0.00 178.31 175.97 1s64 h GLN 287 N 0.08 0.00 -0.29 1.11 3.07 -1.89 -0.98 115.11 116.21 1s64 h GLN 287 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1s64 h GLN 287 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.93 1s64 h GLN 287 CO 0.03 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.61 1s64 n TYR 288 N -3.11 0.37 -2.25 0.06 0.53 -0.67 -4.93 117.16 107.15 1s64 n TYR 288 Ca -0.02 -0.19 -0.25 0.00 -1.02 0.00 0.00 57.90 56.42 1s64 n TYR 288 Cb 0.23 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.61 1s64 n TYR 288 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1s64 s THR 289 N -1.63 2.30 -0.52 -0.72 -4.23 -0.38 -5.02 115.64 105.46 1s64 s THR 289 Ca 0.36 -0.31 -0.23 0.00 -1.18 0.00 0.00 61.69 60.33 1s64 s THR 289 Cb 0.20 -2.99 0.04 0.00 1.34 0.00 0.00 72.50 71.09 1s64 s THR 289 CO 0.29 0.00 0.84 0.21 -0.54 0.00 0.00 174.62 175.42 1s64 s ASN 290 N -4.52 6.33 0.06 3.99 3.84 -1.26 -4.94 114.94 118.45 1s64 s ASN 290 Ca 0.60 -0.40 -0.20 0.00 0.21 0.00 0.00 52.86 53.07 1s64 s ASN 290 Cb -0.10 -2.39 -0.11 0.00 -0.55 0.00 0.00 41.25 38.09 1s64 s ASN 290 CO 0.44 -1.08 1.45 -0.26 -2.79 0.00 0.00 177.10 174.87 1s64 h PHE 291 N 9.16 0.41 -0.12 0.43 0.05 -1.95 -3.21 116.94 121.72 1s64 h PHE 291 Ca -0.26 -0.09 0.03 0.00 3.82 0.00 0.00 57.97 61.47 1s64 h PHE 291 Cb 1.08 -0.10 -0.03 0.00 2.00 0.00 0.00 35.95 38.90 1s64 h PHE 291 CO 0.85 0.62 -0.06 0.93 -0.18 0.00 0.00 178.31 180.48 1s64 h GLU 292 N 0.08 -0.04 -0.18 1.51 4.39 -1.97 0.32 114.58 118.68 1s64 h GLU 292 Ca 0.05 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 1s64 h GLU 292 Cb 0.49 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1s64 h GLU 292 CO 0.02 -0.03 -0.12 0.87 -1.16 0.00 0.00 179.01 178.59 1s64 h LYS 293 N -0.05 0.29 -0.03 2.33 1.57 -1.85 0.49 116.57 119.33 1s64 h LYS 293 Ca 0.07 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1s64 h LYS 293 Cb 0.14 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1s64 h LYS 293 CO -0.15 0.42 -0.04 -0.97 -0.57 0.00 0.00 179.45 178.15 1s64 h ASN 294 N 0.28 0.08 -0.49 0.86 -1.24 -1.07 -2.13 115.58 111.87 1s64 h ASN 294 Ca 0.06 -0.51 0.01 0.00 0.71 0.00 0.00 56.30 56.57 1s64 h ASN 294 Cb 0.39 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.39 1s64 h ASN 294 CO 0.02 0.57 0.31 -0.09 -1.29 0.00 0.00 177.43 176.96 1s64 h ARG 295 N -0.40 0.61 -0.85 6.67 2.43 -0.72 -1.24 114.38 120.88 1s64 h ARG 295 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1s64 h ARG 295 Cb 0.55 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 1s64 h ARG 295 CO 0.01 0.40 0.53 -0.91 -1.51 0.00 0.00 179.97 178.50 1s64 h ASN 296 N 0.63 0.99 0.07 -3.80 2.35 -0.91 -1.57 115.58 113.34 1s64 h ASN 296 Ca 0.19 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1s64 h ASN 296 Cb -0.03 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.09 1s64 h ASN 296 CO -0.07 0.75 -0.03 0.22 -1.65 0.00 0.00 177.43 176.65 1s64 h TYR 297 N 1.15 -0.09 -0.30 1.19 3.20 -0.88 -1.80 116.97 119.45 1s64 h TYR 297 Ca 0.31 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.24 1s64 h TYR 297 Cb -0.09 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.15 1s64 h TYR 297 CO -0.01 0.17 -0.11 0.82 -1.64 0.00 0.00 178.16 177.38 1s64 h ILE 298 N -0.33 0.61 -0.01 1.81 2.04 -1.06 -1.12 117.51 119.46 1s64 h ILE 298 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1s64 h ILE 298 Cb 0.29 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1s64 h ILE 298 CO 0.02 0.00 -0.09 -0.07 0.00 0.00 0.00 178.15 178.00 1s64 h LEU 299 N -0.06 0.01 -0.31 1.44 3.38 -1.26 -1.43 115.31 117.09 1s64 h LEU 299 Ca 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1s64 h LEU 299 Cb 0.29 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1s64 h LEU 299 CO -0.34 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 176.76 1s64 n SER 300 N -4.42 0.29 -1.21 -0.43 3.41 -0.43 -1.88 113.62 108.94 1s64 n SER 300 Ca -0.03 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.27 1s64 n SER 300 Cb 0.17 -0.63 0.26 0.00 -0.26 0.00 0.00 64.21 63.75 1s64 n SER 300 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1s64 n THR 301 N -1.82 0.75 -2.40 6.66 -2.24 -0.54 -4.32 114.28 110.37 1s64 n THR 301 Ca 0.03 -0.87 -0.41 0.00 -2.27 0.00 0.00 64.05 60.53 1s64 n THR 301 Cb 0.19 0.75 -0.04 0.00 -2.10 0.00 0.00 70.33 69.13 1s64 n THR 301 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1s64 s GLN 302 N -1.23 4.54 -0.56 -0.78 0.74 -0.79 -0.90 119.66 120.68 1s64 s GLN 302 Ca 0.42 1.86 -0.19 0.00 0.05 0.00 0.00 55.36 57.50 1s64 s GLN 302 Cb 0.23 -3.22 0.08 0.00 1.10 0.00 0.00 33.01 31.21 1s64 s GLN 302 CO 0.31 0.01 0.68 0.34 -0.55 0.00 0.00 175.29 176.08 1s64 s ASP 303 N -0.23 6.20 0.45 6.67 -1.08 -0.59 -4.87 116.67 123.21 1s64 s ASP 303 Ca 0.50 -1.21 0.31 0.00 -0.52 0.00 0.00 52.55 51.63 1s64 s ASP 303 Cb -0.33 -2.30 1.53 0.00 -1.46 0.00 0.00 42.92 40.37 1s64 s ASP 303 CO 0.39 -1.03 1.93 0.03 0.52 0.00 0.00 175.17 177.01 1s64 h ARG 304 N 9.12 0.00 0.00 4.34 3.08 -1.88 0.28 114.38 129.31 1s64 h ARG 304 Ca -0.29 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.64 1s64 h ARG 304 Cb 1.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 1s64 h ARG 304 CO 1.05 0.00 -1.08 -0.11 -1.07 0.00 0.00 179.97 178.75 1s64 n LEU 305 N -2.63 1.87 0.02 3.04 -0.00 -1.26 -4.63 117.00 113.40 1s64 n LEU 305 Ca -0.01 0.48 0.11 0.00 -0.00 0.00 0.00 56.01 56.59 1s64 n LEU 305 Cb 0.13 -0.86 -0.00 0.00 -0.00 0.00 0.00 43.42 42.69 1s64 n LEU 305 CO 0.18 -0.10 -0.05 1.33 -0.00 0.00 0.00 177.39 178.74 1s64 n VAL 306 N -4.49 0.15 -0.22 1.96 0.24 -1.23 -5.09 118.33 109.65 1s64 n VAL 306 Ca -0.21 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1s64 n VAL 306 Cb 0.51 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 1s64 n VAL 306 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s64 n GLY 307 N 1.37 -3.19 0.26 7.63 0.00 0.97 -4.49 105.19 107.74 1s64 n GLY 307 Ca 0.02 -1.82 0.03 0.00 0.00 0.00 0.00 46.02 44.25 1s64 n GLY 307 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s64 n GLY 308 N -0.44 -1.72 3.31 -0.02 0.00 -1.26 -4.27 105.19 100.78 1s64 n GLY 308 Ca 0.00 -1.45 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 1s64 n GLY 308 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s64 s PHE 309 N -1.72 1.79 0.54 1.61 0.40 -1.26 -1.55 117.98 117.79 1s64 s PHE 309 Ca 0.00 -0.46 0.05 0.00 -0.60 0.00 0.00 56.93 55.92 1s64 s PHE 309 Cb 0.00 -0.92 0.04 0.00 0.51 0.00 0.00 43.02 42.65 1s64 s PHE 309 CO 0.00 0.28 0.39 0.00 0.70 0.00 0.00 175.22 176.59 1s64 s ALA 310 N -1.77 4.43 0.06 5.36 0.00 -0.08 -2.63 121.76 127.14 1s64 s ALA 310 Ca 0.12 -1.20 0.09 0.00 0.00 0.00 0.00 51.96 50.98 1s64 s ALA 310 Cb -0.07 -0.69 -0.19 0.00 0.00 0.00 0.00 23.12 22.16 1s64 s ALA 310 CO 0.06 -0.43 1.15 1.57 0.00 0.00 0.00 175.76 178.11 1s64 h LYS 311 N 0.77 0.00 -5.08 0.00 2.10 -1.87 -3.41 116.57 109.08 1s64 h LYS 311 Ca -0.37 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.95 1s64 h LYS 311 Cb 1.30 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.48 1s64 h LYS 311 CO 0.58 0.84 -0.72 -1.58 -2.00 0.00 0.00 179.45 176.57 1s64 s TRP 312 N -2.71 1.24 0.54 0.07 0.51 -1.26 -1.92 118.94 115.41 1s64 s TRP 312 Ca -0.00 -0.72 -0.21 0.00 -2.12 0.00 0.00 56.10 53.05 1s64 s TRP 312 Cb 0.09 -0.64 -0.05 0.00 -0.81 0.00 0.00 33.47 32.06 1s64 s TRP 312 CO 0.82 0.07 1.26 -1.25 -0.51 0.00 0.00 176.95 177.34 1s64 s PRO 313 N -3.48 3.26 -1.57 4.98 0.04 -1.26 -2.84 135.00 134.12 1s64 s PRO 313 Ca 0.14 1.98 -0.05 0.00 0.04 0.00 0.00 61.00 63.12 1s64 s PRO 313 Cb 0.01 -2.20 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1s64 s PRO 313 CO 0.01 -1.01 0.57 -0.40 0.04 0.00 0.00 177.00 176.20 1s64 n ASP 314 N -1.04 -6.07 -4.47 6.66 5.68 -1.26 -4.99 116.55 111.06 1s64 n ASP 314 Ca 0.10 -0.27 -0.23 0.00 -0.50 0.00 0.00 54.79 53.89 1s64 n ASP 314 Cb 0.47 -4.91 -0.10 0.00 -1.14 0.00 0.00 41.12 35.43 1s64 n ASP 314 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1s64 s SER 315 N -2.66 3.23 0.15 -1.12 0.15 -1.13 -5.11 113.70 107.20 1s64 s SER 315 Ca 0.29 -1.14 -0.30 0.00 0.70 0.00 0.00 55.95 55.50 1s64 s SER 315 Cb -0.13 -0.25 -0.07 0.00 -1.71 0.00 0.00 66.02 63.86 1s64 s SER 315 CO 0.36 -0.20 1.22 -1.00 1.20 0.00 0.00 173.24 174.82 1s64 s HIS 316 N -2.77 3.41 0.57 3.44 4.02 -1.26 -4.68 115.29 118.02 1s64 s HIS 316 Ca 0.30 1.35 -0.13 0.00 1.02 0.00 0.00 55.06 57.60 1s64 s HIS 316 Cb 0.01 -3.45 -0.06 0.00 -1.02 0.00 0.00 32.58 28.06 1s64 s HIS 316 CO 0.13 -1.33 1.00 -1.25 1.02 0.00 0.00 174.74 174.31 1s64 s PRO 317 N 0.23 3.73 0.16 8.40 0.04 -1.26 -4.56 135.00 141.74 1s64 s PRO 317 Ca 0.55 0.80 -0.09 0.00 0.04 0.00 0.00 61.00 62.31 1s64 s PRO 317 Cb -0.32 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 1s64 s PRO 317 CO 0.34 -0.43 0.28 0.16 0.04 0.00 0.00 177.00 177.39 1s64 s ASP 318 N -3.73 0.05 0.21 6.66 1.47 -1.08 -4.95 116.67 115.30 1s64 s ASP 318 Ca 0.56 -0.88 -0.10 0.00 1.18 0.00 0.00 52.55 53.31 1s64 s ASP 318 Cb -0.11 0.43 0.23 0.00 -0.34 0.00 0.00 42.92 43.14 1s64 s ASP 318 CO 0.44 -0.89 1.81 0.00 0.68 0.00 0.00 175.17 177.21 1s64 h ALA 319 N 2.55 0.88 0.07 2.11 0.00 -1.97 -1.24 119.26 121.67 1s64 h ALA 319 Ca -0.32 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1s64 h ALA 319 Cb 1.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1s64 h ALA 319 CO 0.48 0.05 -0.04 1.25 0.00 0.00 0.00 179.25 181.00 1s64 h LEU 320 N 0.68 -0.09 -0.98 0.00 6.46 -1.95 -0.85 115.31 118.59 1s64 h LEU 320 Ca 0.29 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.99 1s64 h LEU 320 Cb 0.17 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1s64 h LEU 320 CO -0.18 -0.05 -0.27 0.45 -0.62 0.00 0.00 178.44 177.77 1s64 h HIS 321 N -0.11 0.00 -0.14 1.25 3.86 -1.76 -0.85 115.15 117.40 1s64 h HIS 321 Ca -0.01 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 1s64 h HIS 321 Cb 0.09 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 1s64 h HIS 321 CO -0.07 0.27 -0.12 0.00 0.86 0.00 0.00 177.93 178.87 1s64 h ALA 322 N 1.73 0.20 0.02 2.45 0.00 -0.98 0.26 119.26 122.94 1s64 h ALA 322 Ca -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1s64 h ALA 322 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1s64 h ALA 322 CO 0.04 0.06 -0.01 -0.92 0.00 0.00 0.00 179.25 178.41 1s64 h TYR 323 N -0.04 -0.03 -0.00 0.00 3.20 -0.98 -1.96 116.97 117.16 1s64 h TYR 323 Ca 0.02 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1s64 h TYR 323 Cb 0.63 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 1s64 h TYR 323 CO 0.08 0.24 -0.42 0.74 -1.64 0.00 0.00 178.16 177.16 1s64 h PHE 324 N -0.30 0.00 -0.51 -3.82 -1.00 -1.21 -0.24 116.94 109.87 1s64 h PHE 324 Ca -0.00 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.70 1s64 h PHE 324 Cb 0.28 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 1s64 h PHE 324 CO 0.01 0.42 0.03 0.78 -1.61 0.00 0.00 178.31 177.95 1s64 h GLY 325 N 1.26 0.95 0.99 -1.45 0.00 -0.86 0.13 103.07 104.09 1s64 h GLY 325 Ca -0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.58 1s64 h GLY 325 CO 0.05 0.62 0.01 -2.22 0.00 0.00 0.00 176.54 175.01 1s64 h ILE 326 N 0.75 1.26 -0.07 2.60 2.04 -0.89 -1.16 117.51 122.05 1s64 h ILE 326 Ca 0.15 -1.04 -0.06 0.00 1.00 0.00 0.00 64.86 64.90 1s64 h ILE 326 Cb 0.48 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1s64 h ILE 326 CO 0.02 0.36 -0.25 0.00 0.00 0.00 0.00 178.15 178.28 1s64 h GLY 328 N 0.88 0.84 1.02 0.00 0.00 -0.32 -2.09 103.07 103.40 1s64 h GLY 328 Ca 0.02 -0.67 -0.05 0.00 0.00 0.00 0.00 47.33 46.63 1s64 h GLY 328 CO 0.04 0.61 0.24 1.41 0.00 0.00 0.00 176.54 178.83 1s64 h LEU 329 N 0.59 0.94 -1.60 3.11 4.07 -0.63 -2.54 115.31 119.25 1s64 h LEU 329 Ca 0.11 -0.19 0.09 0.00 0.08 0.00 0.00 57.88 57.96 1s64 h LEU 329 Cb 0.58 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.04 1s64 h LEU 329 CO 0.03 0.88 0.40 -1.28 -1.08 0.00 0.00 178.44 177.39 1s64 h SER 330 N 0.95 0.41 -0.31 -0.43 0.87 -0.57 -1.06 113.55 113.42 1s64 h SER 330 Ca 0.22 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.83 1s64 h SER 330 Cb 0.25 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1s64 h SER 330 CO -0.01 0.26 0.21 -0.07 -0.53 0.00 0.00 176.83 176.69 1s64 h LEU 331 N 0.47 0.18 -2.90 2.23 4.07 -0.93 0.57 115.31 118.99 1s64 h LEU 331 Ca 0.27 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1s64 h LEU 331 Cb 0.45 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1s64 h LEU 331 CO -0.08 0.12 0.00 0.23 -1.08 0.00 0.00 178.44 177.63 1s64 n MET 332 N -4.48 3.12 -3.25 1.13 2.81 -0.42 -4.98 117.12 111.05 1s64 n MET 332 Ca 0.03 -2.76 -0.10 0.00 -1.81 0.00 0.00 57.70 53.06 1s64 n MET 332 Cb 0.23 -1.70 0.02 0.00 -0.71 0.00 0.00 33.22 31.07 1s64 n MET 332 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1s64 n GLU 333 N 1.46 -1.57 -2.14 0.03 1.02 0.19 -4.95 120.64 114.68 1s64 n GLU 333 Ca 0.25 1.15 -0.41 0.00 -0.02 0.00 0.00 57.16 58.14 1s64 n GLU 333 Cb 0.73 -5.28 -0.02 0.00 -0.02 0.00 0.00 31.44 26.84 1s64 n GLU 333 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1s64 s GLU 334 N -3.87 4.37 -0.22 3.49 2.56 -1.13 -4.92 118.70 118.98 1s64 s GLU 334 Ca 0.17 2.19 -0.29 0.00 0.00 0.00 0.00 54.97 57.05 1s64 s GLU 334 Cb -0.03 -3.08 -0.04 0.00 2.00 0.00 0.00 34.13 32.98 1s64 s GLU 334 CO 0.77 -0.17 1.85 0.45 -0.56 0.00 0.00 175.26 177.61 1s64 s SER 335 N -0.48 6.02 0.00 -1.70 0.15 -1.26 -2.14 113.70 114.29 1s64 s SER 335 Ca 0.49 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.84 1s64 s SER 335 Cb -0.39 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.39 1s64 s SER 335 CO 0.52 -1.54 0.00 0.61 1.20 0.00 0.00 173.24 174.03 1s64 n GLY 336 N 5.14 0.99 2.93 9.45 0.00 -1.26 -5.05 105.19 117.39 1s64 n GLY 336 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1s64 n GLY 336 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s64 s ILE 337 N -2.00 0.84 0.94 -0.61 1.01 -0.91 -4.74 121.20 115.74 1s64 s ILE 337 Ca 0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 1s64 s ILE 337 Cb 0.00 -0.84 0.12 0.00 0.01 0.00 0.00 42.46 41.75 1s64 s ILE 337 CO 0.00 0.31 0.90 0.00 0.00 0.00 0.00 174.94 176.14 1s64 s LYS 339 N -4.30 4.70 -0.03 0.00 -0.14 -1.26 -4.77 119.74 113.94 1s64 s LYS 339 Ca 0.64 1.59 -0.08 0.00 -1.36 0.00 0.00 55.97 56.75 1s64 s LYS 339 Cb -0.22 -3.30 -0.05 0.00 -1.68 0.00 0.00 37.83 32.58 1s64 s LYS 339 CO 0.61 0.25 0.26 0.54 -0.76 0.00 0.00 175.35 176.25 1s64 s VAL 340 N -0.52 5.31 -0.59 3.17 0.11 -1.26 -1.09 120.40 125.54 1s64 s VAL 340 Ca 0.46 0.31 -0.28 0.00 -2.93 0.00 0.00 61.98 59.54 1s64 s VAL 340 Cb -0.27 -3.54 0.03 0.00 -1.53 0.00 0.00 36.38 31.06 1s64 s VAL 340 CO 0.33 0.48 1.25 -2.28 -3.33 0.00 0.00 175.10 171.56 1s64 s HIS 341 N -1.18 2.51 0.64 1.54 2.46 0.09 -4.75 115.29 116.61 1s64 s HIS 341 Ca 0.23 0.40 0.33 0.00 0.47 0.00 0.00 55.06 56.49 1s64 s HIS 341 Cb -0.13 -4.50 1.80 0.00 -0.13 0.00 0.00 32.58 29.62 1s64 s HIS 341 CO 0.12 -1.71 2.07 -1.00 -2.47 0.00 0.00 174.74 171.75 1s64 h PRO 342 N 9.91 0.00 0.00 2.88 0.13 -1.92 -1.01 132.00 141.99 1s64 h PRO 342 Ca -0.26 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.50 1s64 h PRO 342 Cb 1.06 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.13 1s64 h PRO 342 CO 1.19 0.00 -2.39 0.00 -0.23 0.00 0.00 178.00 176.57 1s64 n ALA 343 N -2.11 1.46 0.22 -0.56 0.00 -1.26 -4.48 120.51 113.79 1s64 n ALA 343 Ca -0.00 -1.21 0.12 0.00 0.00 0.00 0.00 53.44 52.34 1s64 n ALA 343 Cb 0.32 -0.19 0.02 0.00 0.00 0.00 0.00 19.45 19.61 1s64 n ALA 343 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1s64 n LEU 344 N -2.97 0.75 -2.59 0.00 7.94 -1.15 -4.91 117.00 114.07 1s64 n LEU 344 Ca -0.37 0.26 -0.15 0.00 -1.11 0.00 0.00 56.01 54.63 1s64 n LEU 344 Cb 1.09 -0.08 0.06 0.00 0.53 0.00 0.00 43.42 45.01 1s64 n LEU 344 CO 0.37 -0.13 0.15 -3.20 -1.11 0.00 0.00 177.39 173.46 1s64 n ASN 345 N -2.49 -4.32 -4.16 1.96 5.15 -0.39 -5.03 115.26 105.97 1s64 n ASN 345 Ca 0.00 -0.37 -0.11 0.00 -0.60 0.00 0.00 54.58 53.50 1s64 n ASN 345 Cb 0.52 -3.55 -0.09 0.00 -0.53 0.00 0.00 39.78 36.13 1s64 n ASN 345 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1s64 s VAL 346 N -3.22 0.01 0.61 3.44 -7.23 -1.25 -4.99 120.40 107.77 1s64 s VAL 346 Ca 0.31 -1.88 -0.17 0.00 -1.81 0.00 0.00 61.98 58.43 1s64 s VAL 346 Cb -0.14 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1s64 s VAL 346 CO 0.49 -0.05 1.15 -0.94 -0.31 0.00 0.00 175.10 175.43 1s64 s SER 347 N -3.12 5.25 0.38 4.85 1.04 -1.26 -0.73 113.70 120.11 1s64 s SER 347 Ca 0.34 2.19 0.05 0.00 0.48 0.00 0.00 55.95 59.01 1s64 s SER 347 Cb 0.06 -2.58 0.76 0.00 0.10 0.00 0.00 66.02 64.36 1s64 s SER 347 CO 0.10 -1.54 2.04 0.71 0.98 0.00 0.00 173.24 175.53 1s64 h THR 348 N 0.61 1.13 -0.77 2.02 1.35 -1.40 0.86 112.91 116.70 1s64 h THR 348 Ca -0.49 -0.24 0.07 0.00 -0.55 0.00 0.00 66.41 65.20 1s64 h THR 348 Cb 1.27 0.39 -0.06 0.00 -1.73 0.00 0.00 68.15 68.01 1s64 h THR 348 CO 0.55 0.13 0.45 -0.09 -0.25 0.00 0.00 175.52 176.30 1s64 h ARG 349 N 0.69 0.77 -0.26 4.72 2.43 -1.90 0.38 114.38 121.21 1s64 h ARG 349 Ca 0.19 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.16 1s64 h ARG 349 Cb -0.08 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1s64 h ARG 349 CO -0.04 0.51 -0.46 1.15 -1.51 0.00 0.00 179.97 179.63 1s64 h THR 350 N 0.80 1.30 -0.14 0.20 2.02 -1.28 -1.66 112.91 114.14 1s64 h THR 350 Ca 0.35 -1.65 -0.12 0.00 0.77 0.00 0.00 66.41 65.77 1s64 h THR 350 Cb 0.25 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1s64 h THR 350 CO -0.20 0.53 -0.42 0.77 0.37 0.00 0.00 175.52 176.56 1s64 h SER 351 N 0.54 0.35 -0.35 4.18 4.64 -0.09 -1.08 113.55 121.74 1s64 h SER 351 Ca 0.03 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.13 1s64 h SER 351 Cb 1.00 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1s64 h SER 351 CO 0.09 0.73 -0.07 -0.33 -0.87 0.00 0.00 176.83 176.39 1s64 h GLU 352 N 0.27 0.66 -0.37 4.77 5.08 -0.09 -1.51 114.58 123.40 1s64 h GLU 352 Ca 0.02 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1s64 h GLU 352 Cb 0.86 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1s64 h GLU 352 CO 0.07 0.82 0.07 -0.09 -1.00 0.00 0.00 179.01 178.88 1s64 h ARG 353 N 0.45 0.55 -0.46 2.33 2.43 -1.05 -1.12 114.38 117.51 1s64 h ARG 353 Ca 0.09 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1s64 h ARG 353 Cb 0.56 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1s64 h ARG 353 CO 0.03 0.52 0.00 1.25 -1.51 0.00 0.00 179.97 180.27 1s64 h LEU 354 N 0.53 0.72 0.01 3.80 5.85 -0.84 -1.87 115.31 123.52 1s64 h LEU 354 Ca 0.12 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1s64 h LEU 354 Cb 0.24 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1s64 h LEU 354 CO -0.00 0.79 -0.00 0.03 -0.34 0.00 0.00 178.44 178.92 1s64 h ARG 355 N 0.71 -0.01 -0.27 1.25 -0.00 -0.17 -1.15 114.38 114.74 1s64 h ARG 355 Ca 0.14 0.00 0.06 0.00 -0.50 0.00 0.00 59.98 59.68 1s64 h ARG 355 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.35 1s64 h ARG 355 CO 0.02 0.00 -0.09 -0.44 0.00 0.00 0.00 179.97 179.46 1s64 h ASP 356 N -0.02 -0.32 -0.61 7.04 3.32 -1.11 -0.44 116.42 124.27 1s64 h ASP 356 Ca -0.00 0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.25 1s64 h ASP 356 Cb 0.01 0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.68 1s64 h ASP 356 CO 0.00 -0.12 0.16 -0.07 -1.72 0.00 0.00 179.24 177.49 1s64 h LEU 357 N -0.04 0.06 -0.51 1.55 3.38 -1.01 0.27 115.31 119.02 1s64 h LEU 357 Ca 0.14 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1s64 h LEU 357 Cb 0.24 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1s64 h LEU 357 CO -0.30 0.03 0.24 0.45 0.09 0.00 0.00 178.44 178.96 1s64 h HIS 358 N 0.29 0.73 0.45 1.13 3.86 -0.23 -1.63 115.15 119.76 1s64 h HIS 358 Ca 0.32 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.48 1s64 h HIS 358 Cb 0.47 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 1s64 h HIS 358 CO -0.23 0.58 -0.25 1.96 0.86 0.00 0.00 177.93 180.84 1s64 h GLN 359 N 0.68 -0.64 -0.58 2.45 7.50 0.12 -2.44 115.11 122.20 1s64 h GLN 359 Ca 0.17 0.04 0.17 0.00 0.50 0.00 0.00 58.65 59.54 1s64 h GLN 359 Cb 0.12 0.15 -0.02 0.00 0.05 0.00 0.00 27.48 27.77 1s64 h GLN 359 CO -0.02 -0.43 0.42 0.66 -1.50 0.00 0.00 178.83 177.96 1s64 h SER 360 N -0.66 0.00 -0.22 1.46 4.64 -0.33 -0.74 113.55 117.70 1s64 h SER 360 Ca -0.05 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.07 1s64 h SER 360 Cb 0.53 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1s64 h SER 360 CO 0.07 0.00 -0.64 -0.50 -0.87 0.00 0.00 176.83 174.89 1s64 h TRP 361 N 0.00 1.06 -0.56 4.77 6.55 -0.84 -3.37 115.95 123.55 1s64 h TRP 361 Ca 0.27 -0.42 -0.47 0.00 0.95 0.00 0.00 58.89 59.22 1s64 h TRP 361 Cb 1.11 -0.18 -0.05 0.00 -0.86 0.00 0.00 29.16 29.18 1s64 h TRP 361 CO 0.00 1.25 1.55 1.63 -1.05 0.00 0.00 178.44 181.81 1s64 n LYS 362 N -4.00 2.15 0.00 0.49 4.01 -0.28 -5.12 118.16 115.40 1s64 n LYS 362 Ca -0.06 -2.72 0.00 0.00 -0.51 0.00 0.00 58.31 55.02 1s64 n LYS 362 Cb 0.67 -3.61 0.00 0.00 -0.51 0.00 0.00 35.03 31.58 1s64 n LYS 362 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54