#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 3.73 -0.40 -1.43 3.84 -1.26 -5.08 116.67 116.06 1s64 s ASP 19 Ca 0.00 -0.92 -0.26 0.00 -0.00 0.00 0.00 52.55 51.37 1s64 s ASP 19 Cb 0.00 -0.39 0.02 0.00 -1.38 0.00 0.00 42.92 41.17 1s64 s ASP 19 CO 0.00 0.05 0.92 0.12 -0.00 0.00 0.00 175.17 176.27 1s64 s PHE 20 N -2.29 3.02 -1.61 2.11 5.36 -1.26 -4.95 117.98 118.35 1s64 s PHE 20 Ca 0.28 0.62 -0.10 0.00 -0.96 0.00 0.00 56.93 56.77 1s64 s PHE 20 Cb -0.06 -3.77 -0.08 0.00 -0.34 0.00 0.00 43.02 38.77 1s64 s PHE 20 CO 0.15 -0.93 2.92 1.28 -1.46 0.00 0.00 175.22 177.18 1s64 n LEU 21 N 6.92 8.70 -0.24 6.12 4.32 -1.26 -4.80 117.00 136.77 1s64 n LEU 21 Ca 0.07 -4.38 -0.04 0.00 -0.02 0.00 0.00 56.01 51.63 1s64 n LEU 21 Cb 0.48 -1.56 0.01 0.00 -1.62 0.00 0.00 43.42 40.74 1s64 n LEU 21 CO 0.60 2.05 0.62 -0.09 -1.22 0.00 0.00 177.39 179.35 1s64 h ARG 22 N 5.02 -0.12 -0.79 3.23 2.43 -1.98 -1.48 114.38 120.68 1s64 h ARG 22 Ca 0.86 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 60.10 1s64 h ARG 22 Cb 0.29 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 1s64 h ARG 22 CO 1.78 -0.08 0.47 -0.44 -1.51 0.00 0.00 179.97 180.19 1s64 h ASP 23 N -0.13 0.73 -0.22 -3.80 3.32 -2.00 -1.65 116.42 112.67 1s64 h ASP 23 Ca 0.26 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 1s64 h ASP 23 Cb 0.56 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1s64 h ASP 23 CO -0.74 0.47 -0.06 -0.09 -1.72 0.00 0.00 179.24 177.11 1s64 h ARG 24 N 0.87 0.56 -0.01 3.56 2.43 -1.70 -2.01 114.38 118.08 1s64 h ARG 24 Ca 0.35 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 1s64 h ARG 24 Cb 0.18 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1s64 h ARG 24 CO -0.18 0.63 -0.54 0.45 -1.51 0.00 0.00 179.97 178.82 1s64 h HIS 25 N 0.53 0.02 -0.47 2.20 3.86 -0.74 -0.33 115.15 120.21 1s64 h HIS 25 Ca 0.10 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1s64 h HIS 25 Cb 0.42 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1s64 h HIS 25 CO 0.02 0.55 0.10 0.28 0.86 0.00 0.00 177.93 179.74 1s64 h VAL 26 N 0.01 1.24 -0.68 2.45 2.07 -0.65 -0.81 116.25 119.88 1s64 h VAL 26 Ca -0.00 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.58 1s64 h VAL 26 Cb 0.96 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1s64 h VAL 26 CO 0.07 0.31 0.12 0.03 0.02 0.00 0.00 177.57 178.12 1s64 h ARG 27 N 0.64 1.12 -0.13 1.57 2.47 -1.00 -1.40 114.38 117.66 1s64 h ARG 27 Ca 0.15 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 1s64 h ARG 27 Cb 0.35 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 1s64 h ARG 27 CO 0.00 1.01 0.08 0.35 0.56 0.00 0.00 179.97 181.98 1s64 h PHE 28 N 1.05 0.16 -0.57 3.04 3.57 -0.71 -0.17 116.94 123.31 1s64 h PHE 28 Ca 0.21 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.64 1s64 h PHE 28 Cb 0.43 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1s64 h PHE 28 CO 0.03 0.11 0.07 0.74 -2.23 0.00 0.00 178.31 177.03 1s64 h PHE 29 N 0.16 1.00 -0.53 0.41 0.05 -1.02 -1.69 116.94 115.31 1s64 h PHE 29 Ca 0.05 -0.13 0.00 0.00 3.82 0.00 0.00 57.97 61.71 1s64 h PHE 29 Cb -0.01 -0.28 -0.03 0.00 2.00 0.00 0.00 35.95 37.64 1s64 h PHE 29 CO -0.07 0.86 0.35 0.37 -0.18 0.00 0.00 178.31 179.64 1s64 h GLN 30 N 0.88 0.71 -0.28 1.51 4.15 -0.95 -1.82 115.11 119.32 1s64 h GLN 30 Ca 0.18 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 1s64 h GLN 30 Cb 0.42 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1s64 h GLN 30 CO 0.01 0.48 0.05 -0.09 -1.93 0.00 0.00 178.83 177.35 1s64 h ARG 31 N 0.72 0.40 -0.16 1.69 2.43 -0.63 -2.47 114.38 116.35 1s64 h ARG 31 Ca 0.19 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1s64 h ARG 31 Cb -0.07 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1s64 h ARG 31 CO -0.04 0.39 -0.16 0.00 -1.51 0.00 0.00 179.97 178.65 1s64 n LEU 33 N -4.24 0.08 0.00 0.00 7.99 -0.94 -4.77 117.00 115.12 1s64 n LEU 33 Ca -0.01 0.51 0.00 0.00 -0.01 0.00 0.00 56.01 56.50 1s64 n LEU 33 Cb 0.30 -0.48 0.00 0.00 -0.11 0.00 0.00 43.42 43.12 1s64 n LEU 33 CO 0.39 -0.04 0.00 0.00 -1.51 0.00 0.00 177.39 176.23 1s64 n GLN 34 N -1.57 0.00 -5.10 3.23 6.02 -0.93 -5.07 117.38 113.96 1s64 n GLN 34 Ca 0.07 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.75 1s64 n GLN 34 Cb 0.34 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.45 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 1.08 2.27 0.11 5.09 1.01 -1.26 -5.13 120.40 123.56 1s64 s VAL 35 Ca 0.00 -1.14 0.10 0.00 0.00 0.00 0.00 61.98 60.95 1s64 s VAL 35 Cb 0.00 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1s64 s VAL 35 CO 0.00 0.51 -0.27 -0.76 0.00 0.00 0.00 175.10 174.58 1s64 s LEU 36 N -0.86 2.28 0.89 3.92 1.43 -1.26 -4.99 118.68 120.10 1s64 s LEU 36 Ca 0.11 -0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 1s64 s LEU 36 Cb -0.10 -1.24 0.13 0.00 0.03 0.00 0.00 46.19 45.00 1s64 s LEU 36 CO 0.01 0.20 1.10 -2.84 0.23 0.00 0.00 176.35 175.05 1s64 s PRO 37 N -1.83 1.25 0.12 1.29 0.02 -1.26 -4.89 135.00 129.70 1s64 s PRO 37 Ca 0.13 1.20 0.12 0.00 0.02 0.00 0.00 61.00 62.48 1s64 s PRO 37 Cb -0.10 -1.78 0.58 0.00 0.02 0.00 0.00 34.50 33.23 1s64 s PRO 37 CO 0.05 -2.36 1.38 -1.91 -0.33 0.00 0.00 177.00 173.83 1s64 n GLU 38 N -4.01 0.07 0.00 5.54 2.13 -1.26 -1.95 120.64 121.15 1s64 n GLU 38 Ca 0.09 0.48 0.08 0.00 0.66 0.00 0.00 57.16 58.47 1s64 n GLU 38 Cb 0.53 -1.68 0.41 0.00 0.27 0.00 0.00 31.44 30.97 1s64 n GLU 38 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1s64 n ARG 39 N -1.81 0.20 -0.55 5.31 1.85 -1.26 -2.02 116.66 118.37 1s64 n ARG 39 Ca 0.01 0.14 0.08 0.00 -1.00 0.00 0.00 57.85 57.08 1s64 n ARG 39 Cb 0.08 -1.50 0.29 0.00 -1.05 0.00 0.00 32.46 30.28 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 -1.32 1.20 0.01 2.89 4.02 -0.82 -4.68 117.16 118.45 1s64 n TYR 40 Ca 0.07 -0.86 0.16 0.00 -0.01 0.00 0.00 57.90 57.27 1s64 n TYR 40 Cb 0.14 -0.36 0.63 0.00 -0.02 0.00 0.00 39.34 39.73 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 2.26 0.11 0.28 7.72 4.64 -1.60 -0.95 113.55 126.01 1s64 h SER 41 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1s64 h SER 41 Cb 1.57 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1s64 h SER 41 CO 0.29 0.06 0.00 -1.54 -0.87 0.00 0.00 176.83 174.77 1s64 n SER 42 N -4.43 0.00 0.00 4.97 3.41 -1.26 -1.56 113.62 114.75 1s64 n SER 42 Ca 0.08 0.29 0.12 0.00 -0.26 0.00 0.00 58.87 59.11 1s64 n SER 42 Cb 0.48 -0.38 0.29 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.38 0.46 -0.33 1.04 4.77 -0.36 -4.52 117.00 116.69 1s64 n LEU 43 Ca 0.04 0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 56.01 1s64 n LEU 43 Cb 0.11 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 1s64 n LEU 43 CO 0.09 0.10 0.53 -0.08 -1.33 0.00 0.00 177.39 176.70 1s64 h GLU 44 N 0.00 -0.10 0.00 3.23 4.57 -1.44 0.77 114.58 121.62 1s64 h GLU 44 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1s64 h GLU 44 Cb 0.52 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1s64 h GLU 44 CO 0.00 -0.06 0.00 0.25 -1.18 0.00 0.00 179.01 178.02 1s64 n THR 45 N -5.36 0.00 -2.69 0.32 -2.24 -1.26 -2.88 114.28 100.17 1s64 n THR 45 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1s64 n THR 45 Cb 0.33 -0.64 0.04 0.00 -2.10 0.00 0.00 70.33 67.96 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 -0.92 1.58 0.10 3.42 3.41 0.21 -4.03 113.62 117.39 1s64 n SER 46 Ca 0.11 -2.13 0.03 0.00 -0.26 0.00 0.00 58.87 56.62 1s64 n SER 46 Cb 0.05 -0.43 0.42 0.00 -0.26 0.00 0.00 64.21 63.99 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 2.13 0.31 -0.42 4.33 3.08 -1.27 -2.40 114.38 120.13 1s64 h ARG 47 Ca -0.14 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1s64 h ARG 47 Cb 1.45 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.42 1s64 h ARG 47 CO 0.18 0.35 0.14 1.25 -1.07 0.00 0.00 179.97 180.82 1s64 h LEU 48 N 0.30 0.56 -0.49 3.04 5.85 -1.53 -0.14 115.31 122.90 1s64 h LEU 48 Ca 0.07 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1s64 h LEU 48 Cb 0.23 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1s64 h LEU 48 CO 0.01 0.53 -0.52 0.71 -0.34 0.00 0.00 178.44 178.83 1s64 h THR 49 N 0.61 1.03 -0.25 1.05 1.35 -1.73 -1.47 112.91 113.51 1s64 h THR 49 Ca 0.14 -2.05 -0.16 0.00 -0.55 0.00 0.00 66.41 63.79 1s64 h THR 49 Cb 0.17 2.23 -0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1s64 h THR 49 CO -0.01 0.51 -0.51 0.40 -0.25 0.00 0.00 175.52 175.66 1s64 h ILE 50 N 0.00 1.30 -0.75 6.82 1.08 -1.19 -1.77 117.51 123.00 1s64 h ILE 50 Ca -0.01 -1.72 -0.04 0.00 -0.39 0.00 0.00 64.86 62.71 1s64 h ILE 50 Cb 1.19 1.65 -0.03 0.00 -3.07 0.00 0.00 36.82 36.56 1s64 h ILE 50 CO 0.07 0.55 0.31 0.00 -0.69 0.00 0.00 178.15 178.39 1s64 h ALA 51 N 0.89 0.97 -0.22 1.87 0.00 -0.81 -2.13 119.26 119.83 1s64 h ALA 51 Ca 0.02 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1s64 h ALA 51 Cb 1.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1s64 h ALA 51 CO 0.10 0.58 0.13 0.35 0.00 0.00 0.00 179.25 180.42 1s64 h PHE 52 N 1.07 0.25 -0.92 0.00 3.57 -1.00 0.27 116.94 120.18 1s64 h PHE 52 Ca 0.25 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1s64 h PHE 52 Cb 0.19 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1s64 h PHE 52 CO 0.02 0.16 0.59 0.74 -2.23 0.00 0.00 178.31 177.58 1s64 h PHE 53 N 0.28 1.18 -0.04 0.41 0.05 -1.09 0.14 116.94 117.86 1s64 h PHE 53 Ca 0.08 0.02 -0.05 0.00 3.82 0.00 0.00 57.97 61.84 1s64 h PHE 53 Cb -0.02 -0.40 0.00 0.00 2.00 0.00 0.00 35.95 37.54 1s64 h PHE 53 CO -0.07 0.76 -0.15 0.00 -0.18 0.00 0.00 178.31 178.67 1s64 h ALA 54 N 1.39 0.08 -0.06 2.45 0.00 -1.01 -0.55 119.26 121.55 1s64 h ALA 54 Ca 0.34 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1s64 h ALA 54 Cb -0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1s64 h ALA 54 CO -0.07 0.01 -0.07 -0.07 0.00 0.00 0.00 179.25 179.05 1s64 h LEU 55 N -0.37 0.17 -1.45 0.00 3.38 -0.35 0.22 115.31 116.91 1s64 h LEU 55 Ca -0.01 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 1s64 h LEU 55 Cb 0.79 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1s64 h LEU 55 CO 0.03 0.62 -0.25 -1.28 0.09 0.00 0.00 178.44 177.65 1s64 h SER 56 N -0.28 0.03 -0.04 -0.43 0.87 -0.86 0.10 113.55 112.94 1s64 h SER 56 Ca 0.01 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1s64 h SER 56 Cb 0.58 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1s64 h SER 56 CO 0.02 0.29 0.00 1.23 -0.53 0.00 0.00 176.83 177.84 1s64 h GLY 57 N 0.80 0.08 1.29 5.77 0.00 -0.83 0.19 103.07 110.37 1s64 h GLY 57 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1s64 h GLY 57 CO 0.03 0.05 0.27 1.41 0.00 0.00 0.00 176.54 178.31 1s64 h LEU 58 N -0.21 0.83 -0.42 3.11 3.38 -0.04 -2.14 115.31 119.82 1s64 h LEU 58 Ca 0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1s64 h LEU 58 Cb 0.31 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1s64 h LEU 58 CO 0.00 0.73 0.17 -0.78 0.09 0.00 0.00 178.44 178.65 1s64 h ASP 59 N 0.91 0.58 0.06 -0.43 -0.00 -0.65 0.19 116.42 117.08 1s64 h ASP 59 Ca 0.22 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.03 57.07 1s64 h ASP 59 Cb 0.15 -0.15 -0.00 0.00 -0.00 0.00 0.00 39.33 39.32 1s64 h ASP 59 CO -0.02 0.59 -0.04 -0.03 -0.00 0.00 0.00 179.24 179.74 1s64 h MET 60 N 0.54 0.00 -0.69 0.28 4.05 -0.44 0.46 114.93 119.13 1s64 h MET 60 Ca 0.14 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 1s64 h MET 60 Cb 0.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 1s64 h MET 60 CO -0.01 0.04 0.00 1.28 0.23 0.00 0.00 176.91 178.45 1s64 n LEU 61 N -4.15 3.91 -3.68 3.39 4.77 -0.74 -0.71 117.00 119.79 1s64 n LEU 61 Ca -0.03 -1.92 -0.25 0.00 -0.03 0.00 0.00 56.01 53.78 1s64 n LEU 61 Cb 0.12 -0.46 0.03 0.00 -2.33 0.00 0.00 43.42 40.79 1s64 n LEU 61 CO 0.31 0.96 -0.08 -0.67 -1.33 0.00 0.00 177.39 176.58 1s64 n ASP 62 N 1.65 -3.28 -1.49 -1.43 2.03 0.15 -4.92 116.55 109.26 1s64 n ASP 62 Ca 0.24 -0.91 0.04 0.00 0.52 0.00 0.00 54.79 54.68 1s64 n ASP 62 Cb 0.62 -3.78 0.02 0.00 -0.72 0.00 0.00 41.12 37.27 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 -2.92 1.00 0.30 1.67 7.64 0.48 -4.85 113.62 116.95 1s64 n SER 63 Ca -0.19 -2.01 0.19 0.00 1.01 0.00 0.00 58.87 57.86 1s64 n SER 63 Cb 0.64 -0.30 0.94 0.00 -1.01 0.00 0.00 64.21 64.48 1s64 n SER 63 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1s64 h LEU 64 N 1.00 0.00 -2.45 -3.43 3.38 -1.91 -2.77 115.31 109.13 1s64 h LEU 64 Ca -0.23 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1s64 h LEU 64 Cb 1.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.64 1s64 h LEU 64 CO 0.10 0.03 0.15 -2.24 0.09 0.00 0.00 178.44 176.57 1s64 h ASP 65 N 0.00 0.00 0.00 -0.43 2.03 -1.94 -1.84 116.42 114.24 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 0.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1s64 h ASP 65 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 179.24 179.54 1s64 n VAL 66 N -3.33 0.00 -4.33 4.15 0.24 -1.05 -4.80 118.33 109.21 1s64 n VAL 66 Ca -0.01 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.10 1s64 n VAL 66 Cb 0.24 -0.35 -0.10 0.00 -1.47 0.00 0.00 33.84 32.15 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 1.69 -0.92 3.34 -7.23 -0.69 -5.08 120.40 109.51 1s64 s VAL 67 Ca 0.27 -2.10 -0.20 0.00 -1.81 0.00 0.00 61.98 58.14 1s64 s VAL 67 Cb 0.12 -1.94 0.11 0.00 0.56 0.00 0.00 36.38 35.23 1s64 s VAL 67 CO 0.21 -0.53 1.18 0.21 -0.31 0.00 0.00 175.10 175.86 1s64 s ASN 68 N -3.09 6.56 0.24 4.85 3.84 -1.26 -4.89 114.94 121.19 1s64 s ASN 68 Ca 0.19 -1.82 -0.05 0.00 0.21 0.00 0.00 52.86 51.40 1s64 s ASN 68 Cb -0.02 -2.44 0.44 0.00 -0.55 0.00 0.00 41.25 38.69 1s64 s ASN 68 CO 0.06 -1.19 1.71 0.11 -2.79 0.00 0.00 177.10 174.99 1s64 h LYS 69 N 9.11 0.33 -0.68 0.43 1.57 -1.94 -2.13 116.57 123.26 1s64 h LYS 69 Ca 0.12 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1s64 h LYS 69 Cb 1.03 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.22 1s64 h LYS 69 CO 1.18 0.22 0.43 -0.44 -0.57 0.00 0.00 179.45 180.27 1s64 h ASP 70 N 0.34 0.73 -0.27 0.86 3.32 -1.92 -0.67 116.42 118.81 1s64 h ASP 70 Ca 0.40 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.43 1s64 h ASP 70 Cb 0.65 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1s64 h ASP 70 CO -0.45 0.51 0.10 0.44 -1.72 0.00 0.00 179.24 178.12 1s64 h ASP 71 N 0.86 0.38 -0.49 6.45 3.32 -1.82 -2.70 116.42 122.43 1s64 h ASP 71 Ca 0.26 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1s64 h ASP 71 Cb -0.03 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1s64 h ASP 71 CO -0.09 0.46 0.11 0.40 -1.72 0.00 0.00 179.24 178.40 1s64 h ILE 72 N 0.28 1.23 -0.81 0.35 2.04 -1.21 -1.88 117.51 117.51 1s64 h ILE 72 Ca 0.09 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 1s64 h ILE 72 Cb 0.20 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1s64 h ILE 72 CO -0.01 0.32 0.44 0.40 0.00 0.00 0.00 178.15 179.30 1s64 h ILE 73 N 0.81 1.24 -0.48 -0.67 2.04 -0.95 -0.33 117.51 119.17 1s64 h ILE 73 Ca 0.17 -0.60 -0.13 0.00 1.00 0.00 0.00 64.86 65.31 1s64 h ILE 73 Cb 0.33 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1s64 h ILE 73 CO 0.00 0.27 -0.19 -0.33 0.00 0.00 0.00 178.15 177.90 1s64 h GLU 74 N 1.14 0.97 -0.57 2.37 4.39 -1.13 -1.62 114.58 120.12 1s64 h GLU 74 Ca 0.29 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1s64 h GLU 74 Cb 0.03 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1s64 h GLU 74 CO -0.05 1.08 0.32 2.35 -1.16 0.00 0.00 179.01 181.55 1s64 h TRP 75 N 0.82 0.79 -0.33 4.33 7.01 -0.81 -1.33 115.95 126.43 1s64 h TRP 75 Ca 0.11 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1s64 h TRP 75 Cb 0.77 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 1s64 h TRP 75 CO 0.05 0.57 0.15 0.82 -2.79 0.00 0.00 178.44 177.25 1s64 h ILE 76 N 0.77 1.17 0.00 2.65 2.04 -0.94 -2.27 117.51 120.94 1s64 h ILE 76 Ca 0.20 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1s64 h ILE 76 Cb 0.04 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1s64 h ILE 76 CO -0.03 0.18 -0.03 1.88 0.00 0.00 0.00 178.15 180.15 1s64 h TYR 77 N 0.40 0.00 0.00 1.37 0.05 -0.96 0.62 116.97 118.45 1s64 h TYR 77 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1s64 h TYR 77 Cb 0.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 1s64 h TYR 77 CO -0.01 0.03 0.00 -1.13 -1.05 0.00 0.00 178.16 176.00 1s64 n SER 78 N -3.27 0.11 -0.29 3.88 3.41 -0.53 -2.72 113.62 114.21 1s64 n SER 78 Ca -0.02 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 1s64 n SER 78 Cb 0.17 -0.54 0.17 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.61 1.35 -4.71 1.04 4.77 0.21 -4.64 117.00 113.41 1s64 n LEU 79 Ca 0.05 -0.45 -0.42 0.00 -0.03 0.00 0.00 56.01 55.17 1s64 n LEU 79 Cb 0.28 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1s64 n LEU 79 CO 0.22 0.26 0.81 -1.58 -1.33 0.00 0.00 177.39 175.77 1s64 s GLN 80 N -2.59 4.49 -0.54 3.23 0.74 -1.10 -0.10 119.66 123.79 1s64 s GLN 80 Ca 0.19 1.66 -0.23 0.00 0.05 0.00 0.00 55.36 57.03 1s64 s GLN 80 Cb 0.18 -3.37 0.05 0.00 1.10 0.00 0.00 33.01 30.97 1s64 s GLN 80 CO 0.59 -0.16 0.84 0.08 -0.55 0.00 0.00 175.29 176.10 1s64 s VAL 81 N 0.91 4.54 0.29 1.34 1.01 0.10 -4.91 120.40 123.69 1s64 s VAL 81 Ca 0.56 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 1s64 s VAL 81 Cb -0.27 -4.46 -0.05 0.00 0.00 0.00 0.00 36.38 31.60 1s64 s VAL 81 CO 0.29 -1.01 0.57 -0.76 0.00 0.00 0.00 175.10 174.19 1s64 s LEU 82 N 3.54 4.05 0.41 3.92 1.43 -1.26 -3.14 118.68 127.63 1s64 s LEU 82 Ca 0.26 0.75 -0.25 0.00 -1.03 0.00 0.00 54.13 53.86 1s64 s LEU 82 Cb -0.15 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.42 1s64 s LEU 82 CO 0.17 -0.20 1.21 -2.16 0.23 0.00 0.00 176.35 175.59 1s64 s PRO 83 N -3.53 3.97 0.94 1.29 0.04 -1.26 -4.44 135.00 132.01 1s64 s PRO 83 Ca 0.45 1.92 -0.12 0.00 0.04 0.00 0.00 61.00 63.28 1s64 s PRO 83 Cb -0.11 -2.65 0.15 0.00 0.04 0.00 0.00 34.50 31.94 1s64 s PRO 83 CO 0.30 -0.42 1.12 0.95 0.04 0.00 0.00 177.00 178.99 1s64 s THR 84 N -1.39 2.10 0.20 1.26 -4.23 -1.26 -3.16 115.64 109.15 1s64 s THR 84 Ca 0.58 0.03 -0.16 0.00 -1.18 0.00 0.00 61.69 60.97 1s64 s THR 84 Cb -0.32 -2.67 0.19 0.00 1.34 0.00 0.00 72.50 71.03 1s64 s THR 84 CO 0.41 -0.04 1.62 1.05 -0.54 0.00 0.00 174.62 177.12 1s64 h GLU 85 N -1.64 -0.05 0.00 3.99 9.09 -1.95 0.34 114.58 124.35 1s64 h GLU 85 Ca -0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.89 1s64 h GLU 85 Cb 1.33 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.44 1s64 h GLU 85 CO 0.60 -0.04 0.00 -0.40 0.05 0.00 0.00 179.01 179.22 1s64 n ASP 86 N -5.43 0.00 -4.34 3.06 3.85 -1.26 -4.90 116.55 107.54 1s64 n ASP 86 Ca 0.06 -1.64 -0.38 0.00 -0.71 0.00 0.00 54.79 52.12 1s64 n ASP 86 Cb 0.33 0.00 -0.05 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 -0.66 -2.10 -0.34 0.11 1.74 0.12 -4.83 116.66 110.70 1s64 n ARG 87 Ca 0.07 0.27 0.09 0.00 -0.77 0.00 0.00 57.85 57.52 1s64 n ARG 87 Cb 0.03 -4.84 0.27 0.00 -1.02 0.00 0.00 32.46 26.91 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 3.36 -0.77 0.55 3.41 -1.26 -4.15 113.62 112.15 1s64 n SER 88 Ca 0.05 -2.05 0.05 0.00 -0.26 0.00 0.00 58.87 56.66 1s64 n SER 88 Cb 0.50 -0.42 0.11 0.00 -0.26 0.00 0.00 64.21 64.14 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 1.22 1.38 -0.32 4.04 6.94 -1.26 -4.84 115.26 122.42 1s64 n ASN 89 Ca 0.20 -2.94 0.01 0.00 -0.02 0.00 0.00 54.58 51.83 1s64 n ASN 89 Cb 0.55 -0.40 0.15 0.00 -2.36 0.00 0.00 39.78 37.71 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 0.70 0.85 0.00 -4.53 3.38 -1.95 -1.41 115.31 112.35 1s64 h LEU 90 Ca -0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1s64 h LEU 90 Cb 1.33 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1s64 h LEU 90 CO 0.03 0.54 0.00 0.47 0.09 0.00 0.00 178.44 179.57 1s64 n ASP 91 N -4.61 0.00 -0.01 -0.43 9.92 -1.26 -2.09 116.55 118.07 1s64 n ASP 91 Ca 0.13 0.12 0.01 0.00 -0.53 0.00 0.00 54.79 54.52 1s64 n ASP 91 Cb 0.18 -0.21 0.02 0.00 -0.64 0.00 0.00 41.12 40.47 1s64 n ASP 91 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1s64 n ARG 92 N -1.21 2.79 -2.40 -1.24 1.74 -0.53 -4.61 116.66 111.20 1s64 n ARG 92 Ca 0.03 -1.61 -0.31 0.00 -0.77 0.00 0.00 57.85 55.18 1s64 n ARG 92 Cb 0.03 -1.05 -0.02 0.00 -1.02 0.00 0.00 32.46 30.40 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 -1.90 -0.02 3.21 0.00 0.00 -1.19 -4.37 105.19 100.91 1s64 n GLY 94 Ca 0.05 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.56 1.45 0.44 1.61 0.40 -1.26 0.02 117.98 117.07 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 -0.82 -0.02 0.00 0.51 0.00 0.00 43.02 42.69 1s64 s PHE 95 CO 0.00 0.10 0.69 1.03 0.70 0.00 0.00 175.22 177.73 1s64 s ARG 96 N -1.59 3.36 0.28 0.44 0.52 0.85 -1.02 118.95 121.78 1s64 s ARG 96 Ca 0.02 -0.16 0.15 0.00 -0.52 0.00 0.00 55.73 55.23 1s64 s ARG 96 Cb -0.09 -2.51 0.07 0.00 0.52 0.00 0.00 34.95 32.93 1s64 s ARG 96 CO 0.03 -0.14 1.42 0.78 0.02 0.00 0.00 175.30 177.41 1s64 h GLY 97 N 0.41 0.00 -0.55 -3.53 0.00 -1.89 -3.46 103.07 94.06 1s64 h GLY 97 Ca -0.48 0.00 0.07 0.00 0.00 0.00 0.00 47.33 46.93 1s64 h GLY 97 CO 0.60 0.00 0.24 -1.14 0.00 0.00 0.00 176.54 176.25 1s64 n SER 98 N -3.20 -0.58 -1.96 0.19 3.41 -1.26 -1.36 113.62 108.85 1s64 n SER 98 Ca 0.02 -1.27 -0.12 0.00 -0.26 0.00 0.00 58.87 57.24 1s64 n SER 98 Cb 0.73 0.94 0.23 0.00 -0.26 0.00 0.00 64.21 65.85 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 -0.75 4.18 0.14 4.04 3.41 -1.26 -4.63 113.62 118.75 1s64 n SER 99 Ca -0.00 -3.21 0.08 0.00 -0.26 0.00 0.00 58.87 55.48 1s64 n SER 99 Cb 0.21 -0.75 0.45 0.00 -0.26 0.00 0.00 64.21 63.86 1s64 n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s64 n TYR 100 N -0.44 0.56 0.56 7.33 4.11 -1.26 -1.59 117.16 126.43 1s64 n TYR 100 Ca 0.43 0.29 0.13 0.00 -0.00 0.00 0.00 57.90 58.75 1s64 n TYR 100 Cb 1.38 -0.90 0.32 0.00 -0.00 0.00 0.00 39.34 40.15 1s64 n TYR 100 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 1s64 h LEU 101 N 0.00 0.00 0.00 -3.48 3.38 -2.01 -3.47 115.31 109.72 1s64 h LEU 101 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1s64 h LEU 101 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1s64 h LEU 101 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1s64 n GLY 102 N 1.29 0.70 3.73 0.83 0.00 -0.62 -5.04 105.19 106.08 1s64 n GLY 102 Ca 0.05 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 3.55 0.14 -0.61 1.01 -1.26 -4.94 121.20 117.08 1s64 s ILE 103 Ca 0.00 1.23 -0.34 0.00 0.00 0.00 0.00 60.65 61.54 1s64 s ILE 103 Cb 0.00 -3.79 -0.14 0.00 0.01 0.00 0.00 42.46 38.54 1s64 s ILE 103 CO 0.00 0.16 1.56 -0.81 0.00 0.00 0.00 174.94 175.86 1s64 n PRO 104 N 2.95 2.03 -1.64 2.79 -0.04 -1.26 -4.85 135.00 134.98 1s64 n PRO 104 Ca 0.06 0.73 -0.58 0.00 -0.04 0.00 0.00 63.50 63.67 1s64 n PRO 104 Cb 0.44 -2.49 -0.07 0.00 -0.04 0.00 0.00 33.50 31.34 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 3.47 1.59 -3.24 0.54 7.35 -1.26 -4.95 117.46 120.95 1s64 n PHE 105 Ca 0.17 0.77 -0.04 0.00 -0.76 0.00 0.00 57.45 57.59 1s64 n PHE 105 Cb 0.28 -2.31 -0.03 0.00 0.35 0.00 0.00 39.48 37.76 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 1.89 -0.47 -0.48 -2.13 2.47 -1.26 -5.06 114.94 109.90 1s64 s ASN 106 Ca 0.94 -0.35 -0.04 0.00 0.42 0.00 0.00 52.86 53.84 1s64 s ASN 106 Cb -1.15 1.48 -0.06 0.00 -1.45 0.00 0.00 41.25 40.08 1s64 s ASN 106 CO 0.61 -0.30 1.80 -0.81 -3.72 0.00 0.00 177.10 174.68 1s64 n PRO 107 N 5.16 1.32 -3.85 0.43 -0.04 -1.26 -4.07 135.00 132.69 1s64 n PRO 107 Ca 0.04 -0.98 -0.26 0.00 -0.04 0.00 0.00 63.50 62.27 1s64 n PRO 107 Cb 0.52 -2.15 0.02 0.00 -0.04 0.00 0.00 33.50 31.84 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 3.97 -2.67 0.00 3.54 7.64 -1.12 -4.73 113.62 120.24 1s64 n SER 108 Ca 0.28 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1s64 n SER 108 Cb 0.17 -3.80 0.00 0.00 -1.01 0.00 0.00 64.21 59.58 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 -4.47 0.00 -1.26 1.43 5.02 -1.26 -5.03 118.16 112.60 1s64 n LYS 109 Ca -0.14 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.85 1s64 n LYS 109 Cb 0.61 -0.07 0.24 0.00 -0.02 0.00 0.00 35.03 35.79 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 -1.36 1.02 0.69 4.39 2.20 -1.26 -5.05 114.94 115.58 1s64 s ASN 110 Ca 0.00 0.42 0.00 0.00 -0.94 0.00 0.00 52.86 52.34 1s64 s ASN 110 Cb 0.00 -0.51 0.00 0.00 -2.00 0.00 0.00 41.25 38.74 1s64 s ASN 110 CO 0.00 -4.04 0.00 -0.81 -2.94 0.00 0.00 177.10 169.31 1s64 n PRO 111 N -4.67 -0.75 -3.51 3.55 -0.05 -1.26 -4.98 135.00 123.33 1s64 n PRO 111 Ca 0.16 0.00 -0.37 0.00 -0.05 0.00 0.00 63.50 63.24 1s64 n PRO 111 Cb 0.60 0.00 -0.07 0.00 -0.05 0.00 0.00 33.50 33.98 1s64 n PRO 111 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 1s64 s GLY 112 N -1.86 2.23 -0.67 0.55 0.00 -1.19 -4.98 107.32 101.41 1s64 s GLY 112 Ca 0.00 -0.42 -0.27 0.00 0.00 0.00 0.00 44.72 44.03 1s64 s GLY 112 CO 0.00 0.47 1.29 -1.59 0.00 0.00 0.00 173.10 173.27 1s64 s THR 113 N 0.46 3.80 0.18 0.90 2.01 -1.26 -4.52 115.64 117.21 1s64 s THR 113 Ca 0.18 0.58 -0.33 0.00 0.31 0.00 0.00 61.69 62.43 1s64 s THR 113 Cb -0.13 -4.78 -0.16 0.00 0.01 0.00 0.00 72.50 67.44 1s64 s THR 113 CO 0.05 -1.60 1.15 0.00 -0.69 0.00 0.00 174.62 173.53 1s64 n ALA 114 N 9.25 -0.82 -3.69 7.40 0.00 -1.26 -5.00 120.51 126.39 1s64 n ALA 114 Ca 0.06 0.46 -0.10 0.00 0.00 0.00 0.00 53.44 53.86 1s64 n ALA 114 Cb 0.49 -2.02 -0.10 0.00 0.00 0.00 0.00 19.45 17.82 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 -0.23 -0.65 0.48 0.00 5.04 -1.26 -5.06 115.29 113.61 1s64 s HIS 115 Ca 0.73 1.35 0.29 0.00 -1.54 0.00 0.00 55.06 55.89 1s64 s HIS 115 Cb -0.85 0.29 1.36 0.00 0.04 0.00 0.00 32.58 33.42 1s64 s HIS 115 CO 0.53 -0.37 1.78 -1.35 -2.34 0.00 0.00 174.74 172.99 1s64 h PRO 116 N 7.23 0.16 0.00 2.88 0.11 -2.05 -2.91 132.00 137.42 1s64 h PRO 116 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1s64 h PRO 116 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1s64 h PRO 116 CO 0.27 0.11 -0.07 0.66 -0.21 0.00 0.00 178.00 178.75 1s64 n TYR 117 N -4.39 0.00 -3.24 0.65 4.01 -1.26 -5.02 117.16 107.91 1s64 n TYR 117 Ca 0.26 -0.61 -0.40 0.00 -0.16 0.00 0.00 57.90 56.99 1s64 n TYR 117 Cb 1.10 -0.09 -0.07 0.00 -0.31 0.00 0.00 39.34 39.97 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 -1.79 6.49 0.28 7.72 2.15 -1.10 -5.02 116.67 125.40 1s64 s ASP 118 Ca 0.15 0.59 -0.19 0.00 0.43 0.00 0.00 52.55 53.53 1s64 s ASP 118 Cb 0.13 -2.29 0.02 0.00 -0.30 0.00 0.00 42.92 40.48 1s64 s ASP 118 CO 0.01 -0.24 0.67 -0.94 -0.17 0.00 0.00 175.17 174.51 1s64 s SER 119 N 1.36 -0.19 0.79 -0.34 1.04 -1.26 -4.89 113.70 110.21 1s64 s SER 119 Ca 0.22 -0.73 -0.10 0.00 0.48 0.00 0.00 55.95 55.83 1s64 s SER 119 Cb -0.15 0.71 0.10 0.00 0.10 0.00 0.00 66.02 66.77 1s64 s SER 119 CO 0.09 -1.33 1.12 -0.83 0.98 0.00 0.00 173.24 173.27 1s64 s GLY 120 N -2.96 1.68 -0.10 7.32 0.00 -0.48 -4.62 107.32 108.17 1s64 s GLY 120 Ca 0.14 -0.96 -0.00 0.00 0.00 0.00 0.00 44.72 43.90 1s64 s GLY 120 CO 0.08 -0.44 -0.07 -1.58 0.00 0.00 0.00 173.10 171.08 1s64 s HIS 121 N -3.46 1.37 0.32 1.90 5.04 -0.19 -4.58 115.29 115.68 1s64 s HIS 121 Ca 0.64 -0.63 0.10 0.00 -1.54 0.00 0.00 55.06 53.62 1s64 s HIS 121 Cb -0.09 -1.15 0.93 0.00 0.04 0.00 0.00 32.58 32.31 1s64 s HIS 121 CO 0.47 -0.45 1.68 0.97 -2.34 0.00 0.00 174.74 175.08 1s64 h ILE 122 N 6.17 0.39 0.00 0.89 2.10 -1.11 0.47 117.51 126.42 1s64 h ILE 122 Ca -0.29 -0.13 -0.06 0.00 1.08 0.00 0.00 64.86 65.45 1s64 h ILE 122 Cb 1.14 -0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.82 1s64 h ILE 122 CO 0.40 0.07 -0.29 0.00 -1.08 0.00 0.00 178.15 177.26 1s64 h ALA 123 N 1.79 1.05 0.17 0.18 0.00 -1.94 -1.86 119.26 118.64 1s64 h ALA 123 Ca 0.66 -0.26 -0.31 0.00 0.00 0.00 0.00 54.91 55.00 1s64 h ALA 123 Cb 1.38 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1s64 h ALA 123 CO -0.57 0.36 -1.46 0.52 0.00 0.00 0.00 179.25 178.11 1s64 h MET 124 N 0.00 0.37 -0.77 0.00 2.86 -0.43 -1.76 114.93 115.20 1s64 h MET 124 Ca -0.00 -0.63 -0.02 0.00 -2.06 0.00 0.00 59.70 56.99 1s64 h MET 124 Cb 0.77 0.23 -0.04 0.00 0.06 0.00 0.00 31.60 32.63 1s64 h MET 124 CO 0.04 1.28 0.42 1.15 1.06 0.00 0.00 176.91 180.85 1s64 h THR 125 N 0.10 1.23 0.52 2.22 2.02 -0.81 0.62 112.91 118.82 1s64 h THR 125 Ca -0.23 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.34 1s64 h THR 125 Cb 2.06 0.22 0.01 0.00 -1.74 0.00 0.00 68.15 68.70 1s64 h THR 125 CO 0.21 0.26 -0.25 0.22 0.37 0.00 0.00 175.52 176.33 1s64 h TYR 126 N 1.06 -0.65 0.00 3.16 3.20 -1.37 -1.68 116.97 120.69 1s64 h TYR 126 Ca 0.27 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 1s64 h TYR 126 Cb 0.04 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1s64 h TYR 126 CO 0.00 -0.32 -0.26 1.79 -1.64 0.00 0.00 178.16 177.73 1s64 h THR 127 N -0.96 1.03 0.44 1.81 1.35 -1.22 -1.17 112.91 114.18 1s64 h THR 127 Ca -0.07 -0.93 -0.02 0.00 -0.55 0.00 0.00 66.41 64.84 1s64 h THR 127 Cb 0.62 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1s64 h THR 127 CO 0.12 0.25 -0.21 1.23 -0.25 0.00 0.00 175.52 176.66 1s64 h GLY 128 N 0.96 -0.61 0.89 5.82 0.00 0.33 0.86 103.07 111.32 1s64 h GLY 128 Ca -0.00 0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.58 1s64 h GLY 128 CO 0.03 -0.22 0.43 1.41 0.00 0.00 0.00 176.54 178.19 1s64 h LEU 129 N -0.84 0.72 -0.74 3.11 3.38 -1.23 -1.54 115.31 118.17 1s64 h LEU 129 Ca -0.06 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1s64 h LEU 129 Cb 0.56 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1s64 h LEU 129 CO 0.10 0.50 0.43 -1.28 0.09 0.00 0.00 178.44 178.28 1s64 h SER 130 N 0.85 0.66 -0.51 -0.43 0.87 -1.15 -1.94 113.55 111.90 1s64 h SER 130 Ca 0.27 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.78 1s64 h SER 130 Cb 0.00 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1s64 h SER 130 CO -0.10 0.43 0.04 0.00 -0.53 0.00 0.00 176.83 176.67 1s64 h LEU 132 N 0.74 0.51 -0.56 0.00 3.38 -0.79 -0.64 115.31 117.95 1s64 h LEU 132 Ca 0.15 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1s64 h LEU 132 Cb 0.46 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1s64 h LEU 132 CO 0.02 0.35 0.23 0.40 0.09 0.00 0.00 178.44 179.53 1s64 h ILE 133 N 0.64 1.22 -0.89 1.22 2.04 -1.25 -1.73 117.51 118.76 1s64 h ILE 133 Ca 0.23 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1s64 h ILE 133 Cb 0.07 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1s64 h ILE 133 CO -0.12 0.27 0.56 0.40 0.00 0.00 0.00 178.15 179.26 1s64 h ILE 134 N 0.77 1.24 0.00 -0.67 2.04 -0.92 -2.26 117.51 117.72 1s64 h ILE 134 Ca 0.19 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1s64 h ILE 134 Cb 0.20 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1s64 h ILE 134 CO -0.02 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.55 1s64 n LEU 135 N -4.38 0.00 0.00 1.44 4.77 -0.29 -4.91 117.00 113.63 1s64 n LEU 135 Ca 0.10 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1s64 n LEU 135 Cb 0.04 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1s64 n LEU 135 CO 0.37 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1s64 n GLY 136 N 1.06 0.08 3.71 -0.72 0.00 -0.85 -4.95 105.19 103.52 1s64 n GLY 136 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.13 3.74 0.00 1.61 -1.08 -0.69 -4.94 116.67 113.17 1s64 s ASP 137 Ca 0.00 2.22 0.19 0.00 -0.52 0.00 0.00 52.55 54.45 1s64 s ASP 137 Cb 0.00 -2.57 0.49 0.00 -1.46 0.00 0.00 42.92 39.37 1s64 s ASP 137 CO 0.00 -2.56 1.40 -0.90 0.52 0.00 0.00 175.17 173.63 1s64 n ASP 138 N -3.41 3.50 -1.28 -0.34 5.68 -1.26 -4.48 116.55 114.96 1s64 n ASP 138 Ca 0.12 -1.97 -0.16 0.00 -0.50 0.00 0.00 54.79 52.28 1s64 n ASP 138 Cb 0.51 -0.35 -0.07 0.00 -1.14 0.00 0.00 41.12 40.08 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 -1.22 0.14 -2.12 4.32 -1.26 -4.89 117.00 113.27 1s64 n LEU 139 Ca 0.19 0.38 0.00 0.00 -0.02 0.00 0.00 56.01 56.56 1s64 n LEU 139 Cb 0.56 -2.34 0.29 0.00 -1.62 0.00 0.00 43.42 40.30 1s64 n LEU 139 CO 0.14 -0.81 0.68 0.77 -1.22 0.00 0.00 177.39 176.95 1s64 h SER 140 N 0.00 0.11 -0.04 -1.43 4.64 -2.02 -2.55 113.55 112.25 1s64 h SER 140 Ca -0.34 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1s64 h SER 140 Cb 1.07 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1s64 h SER 140 CO 0.49 0.50 0.00 0.54 -0.87 0.00 0.00 176.83 177.48 1s64 n ARG 141 N -4.05 1.37 -3.00 4.77 1.74 -1.26 -4.79 116.66 111.43 1s64 n ARG 141 Ca -0.02 -0.54 -0.41 0.00 -0.77 0.00 0.00 57.85 56.11 1s64 n ARG 141 Cb 0.45 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.40 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 -1.96 4.95 -1.16 1.55 1.01 -0.96 -4.96 120.40 118.86 1s64 s VAL 142 Ca 0.38 1.41 -0.20 0.00 0.00 0.00 0.00 61.98 63.57 1s64 s VAL 142 Cb 0.19 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.59 1s64 s VAL 142 CO 0.31 0.06 1.62 -0.62 0.00 0.00 0.00 175.10 176.47 1s64 s ASP 143 N 1.19 6.62 0.22 3.32 -1.08 -1.26 -4.82 116.67 120.86 1s64 s ASP 143 Ca 0.33 -1.95 -0.08 0.00 -0.52 0.00 0.00 52.55 50.33 1s64 s ASP 143 Cb -0.16 -2.58 0.35 0.00 -1.46 0.00 0.00 42.92 39.07 1s64 s ASP 143 CO 0.11 -1.39 1.71 0.11 0.52 0.00 0.00 175.17 176.23 1s64 h LYS 144 N 8.69 0.29 -0.19 4.34 1.57 -1.93 -1.57 116.57 127.77 1s64 h LYS 144 Ca 0.33 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1s64 h LYS 144 Cb 0.94 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1s64 h LYS 144 CO 1.44 0.19 -0.14 0.93 -0.57 0.00 0.00 179.45 181.30 1s64 h GLU 145 N 0.30 0.31 -0.21 3.15 4.39 -1.99 -1.69 114.58 118.83 1s64 h GLU 145 Ca 0.35 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.89 1s64 h GLU 145 Cb 0.53 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1s64 h GLU 145 CO -0.42 0.46 -0.16 0.00 -1.16 0.00 0.00 179.01 177.73 1s64 h ALA 146 N 1.57 0.31 -0.44 3.43 0.00 -1.69 -1.50 119.26 120.93 1s64 h ALA 146 Ca 0.06 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1s64 h ALA 146 Cb 0.43 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1s64 h ALA 146 CO 0.03 0.20 0.26 0.00 0.00 0.00 0.00 179.25 179.74 1s64 h LEU 148 N 0.53 0.81 -0.54 0.00 3.38 -1.29 0.13 115.31 118.34 1s64 h LEU 148 Ca 0.17 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1s64 h LEU 148 Cb -0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1s64 h LEU 148 CO -0.07 0.74 0.01 0.00 0.09 0.00 0.00 178.44 179.21 1s64 h ALA 149 N 1.37 0.73 -0.69 1.53 0.00 -0.69 -1.18 119.26 120.32 1s64 h ALA 149 Ca 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1s64 h ALA 149 Cb 0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1s64 h ALA 149 CO -0.02 0.55 0.35 0.78 0.00 0.00 0.00 179.25 180.91 1s64 h GLY 150 N 0.83 1.06 0.99 0.00 0.00 -0.15 -2.62 103.07 103.17 1s64 h GLY 150 Ca 0.15 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 1s64 h GLY 150 CO 0.03 0.49 -0.11 -2.00 0.00 0.00 0.00 176.54 174.94 1s64 h LEU 151 N 0.96 -0.27 -0.90 3.11 6.46 -0.45 -2.86 115.31 121.36 1s64 h LEU 151 Ca 0.24 -0.00 0.17 0.00 -0.12 0.00 0.00 57.88 58.17 1s64 h LEU 151 Cb 0.10 0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 39.99 1s64 h LEU 151 CO -0.03 -0.18 0.48 0.03 -0.62 0.00 0.00 178.44 178.12 1s64 h ARG 152 N -0.34 0.62 0.00 1.25 3.08 -0.97 0.52 114.38 118.53 1s64 h ARG 152 Ca -0.03 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1s64 h ARG 152 Cb 0.26 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1s64 h ARG 152 CO 0.05 0.41 -0.02 0.00 -1.07 0.00 0.00 179.97 179.34 1s64 h ALA 153 N 1.61 1.10 0.00 0.04 0.00 -1.24 -2.62 119.26 118.14 1s64 h ALA 153 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1s64 h ALA 153 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1s64 h ALA 153 CO -0.39 0.02 -0.34 -0.07 0.00 0.00 0.00 179.25 178.47 1s64 h LEU 154 N 0.00 0.00 -9.60 0.00 3.38 -0.81 -3.47 115.31 104.82 1s64 h LEU 154 Ca -0.00 -0.11 -0.52 0.00 0.09 0.00 0.00 57.88 57.34 1s64 h LEU 154 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1s64 h LEU 154 CO 0.00 0.05 0.39 -1.58 0.09 0.00 0.00 178.44 177.40 1s64 s GLN 155 N -3.14 4.68 0.55 1.13 0.74 -0.99 -1.55 119.66 121.08 1s64 s GLN 155 Ca 0.08 1.52 0.01 0.00 0.05 0.00 0.00 55.36 57.02 1s64 s GLN 155 Cb 0.13 -3.35 0.03 0.00 1.10 0.00 0.00 33.01 30.92 1s64 s GLN 155 CO 0.67 0.19 0.77 -0.51 -0.55 0.00 0.00 175.29 175.86 1s64 s LEU 156 N -0.14 3.28 0.34 3.68 1.43 0.38 -4.97 118.68 122.67 1s64 s LEU 156 Ca 0.47 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.62 1s64 s LEU 156 Cb -0.25 -2.87 0.72 0.00 0.03 0.00 0.00 46.19 43.82 1s64 s LEU 156 CO 0.31 -1.14 1.89 -0.08 0.23 0.00 0.00 176.35 177.56 1s64 h GLU 157 N 0.07 0.77 0.00 1.70 4.57 -1.97 -0.62 114.58 119.11 1s64 h GLU 157 Ca -0.42 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1s64 h GLU 157 Cb 1.30 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1s64 h GLU 157 CO 0.52 0.51 0.00 -0.40 -1.18 0.00 0.00 179.01 178.46 1s64 n ASP 158 N -4.54 0.00 0.00 1.04 3.85 -1.26 -4.89 116.55 110.75 1s64 n ASP 158 Ca 0.16 -0.73 0.00 0.00 -0.71 0.00 0.00 54.79 53.51 1s64 n ASP 158 Cb 0.37 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.10 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 0.66 2.55 3.82 6.12 0.00 -0.24 -4.03 105.19 114.07 1s64 n GLY 159 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1s64 n GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s64 n SER 160 N 0.00 0.25 -4.30 1.61 3.41 -1.26 -4.03 113.62 109.31 1s64 n SER 160 Ca 0.00 -1.56 -0.19 0.00 -0.26 0.00 0.00 58.87 56.87 1s64 n SER 160 Cb 0.00 -0.96 -0.11 0.00 -0.26 0.00 0.00 64.21 62.88 1s64 n SER 160 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1s64 s PHE 161 N -3.78 1.58 0.43 7.33 0.40 -1.26 -0.47 117.98 122.21 1s64 s PHE 161 Ca 0.73 -0.56 0.08 0.00 -0.60 0.00 0.00 56.93 56.58 1s64 s PHE 161 Cb -0.02 -0.78 0.00 0.00 0.51 0.00 0.00 43.02 42.73 1s64 s PHE 161 CO 0.51 0.25 0.50 0.00 0.70 0.00 0.00 175.22 177.18 1s64 n ALA 163 N -1.75 1.39 -2.84 0.00 0.00 -1.26 -4.78 120.51 111.27 1s64 n ALA 163 Ca 0.06 -0.85 -0.14 0.00 0.00 0.00 0.00 53.44 52.51 1s64 n ALA 163 Cb 0.60 -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 0.57 0.58 0.00 -7.23 -1.26 -0.53 120.40 109.96 1s64 s VAL 164 Ca -0.10 -1.00 0.27 0.00 -1.81 0.00 0.00 61.98 59.34 1s64 s VAL 164 Cb 0.07 -0.61 0.34 0.00 0.56 0.00 0.00 36.38 36.74 1s64 s VAL 164 CO 0.81 -0.31 2.23 1.55 -0.31 0.00 0.00 175.10 179.06 1s64 h PRO 165 N 4.66 0.00 0.00 4.82 0.13 -1.87 -0.72 132.00 139.02 1s64 h PRO 165 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 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 -3.97 0.08 0.00 0.86 4.71 -1.26 -4.96 120.64 116.09 1s64 n GLU 166 Ca -0.03 0.28 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 1s64 n GLU 166 Cb 0.10 -1.64 0.00 0.00 -1.01 0.00 0.00 31.44 28.89 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 0.21 2.66 0.42 0.62 0.00 -0.28 -5.17 105.19 103.66 1s64 n GLY 167 Ca 0.03 -1.70 -0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.17 -4.80 1.61 3.41 -1.26 -4.73 113.62 107.69 1s64 n SER 168 Ca 0.00 -1.08 -0.32 0.00 -0.26 0.00 0.00 58.87 57.22 1s64 n SER 168 Cb 0.00 0.27 0.05 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.00 2.81 -0.04 4.33 1.03 -1.26 -4.87 118.70 118.70 1s64 s GLU 169 Ca 0.03 1.12 0.02 0.00 0.03 0.00 0.00 54.97 56.17 1s64 s GLU 169 Cb -0.00 -1.97 0.01 0.00 -0.80 0.00 0.00 34.13 31.37 1s64 s GLU 169 CO 0.00 -1.21 -0.09 0.54 -1.33 0.00 0.00 175.26 173.18 1s64 s ASN 170 N -3.33 1.31 0.10 0.83 4.22 -1.26 -4.16 114.94 112.65 1s64 s ASN 170 Ca 0.61 -0.21 -0.09 0.00 -2.14 0.00 0.00 52.86 51.04 1s64 s ASN 170 Cb -0.16 -0.49 0.03 0.00 1.28 0.00 0.00 41.25 41.91 1s64 s ASN 170 CO 0.50 0.03 0.43 -0.90 -2.04 0.00 0.00 177.10 175.12 1s64 n ASP 171 N 3.60 -0.81 -0.20 3.54 5.68 -1.19 -4.93 116.55 122.24 1s64 n ASP 171 Ca -0.21 -1.46 0.12 0.00 -0.50 0.00 0.00 54.79 52.74 1s64 n ASP 171 Cb 0.53 1.33 0.43 0.00 -1.14 0.00 0.00 41.12 42.27 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 0.56 -0.74 0.11 1.85 -1.76 -2.20 114.93 112.76 1s64 h MET 172 Ca -0.13 -0.03 0.12 0.00 -0.61 0.00 0.00 59.70 59.06 1s64 h MET 172 Cb 0.53 -0.13 -0.09 0.00 0.43 0.00 0.00 31.60 32.35 1s64 h MET 172 CO 0.17 0.37 0.32 0.00 -0.40 0.00 0.00 176.91 177.37 1s64 h ARG 173 N 0.58 0.48 0.00 0.39 3.08 -1.94 -1.03 114.38 115.94 1s64 h ARG 173 Ca 0.38 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.39 1s64 h ARG 173 Cb 0.67 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1s64 h ARG 173 CO -0.14 0.32 -0.06 0.74 -1.07 0.00 0.00 179.97 179.76 1s64 h PHE 174 N 0.49 0.00 -0.42 3.04 0.05 -1.68 -2.61 116.94 115.81 1s64 h PHE 174 Ca 0.39 0.00 -0.12 0.00 3.82 0.00 0.00 57.97 62.06 1s64 h PHE 174 Cb 0.54 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.47 1s64 h PHE 174 CO -0.15 0.06 -0.22 0.28 -0.18 0.00 0.00 178.31 178.10 1s64 h VAL 175 N 0.00 1.27 -0.44 -0.55 2.07 -1.10 -0.48 116.25 117.02 1s64 h VAL 175 Ca -0.00 -1.35 -0.08 0.00 0.82 0.00 0.00 66.70 66.08 1s64 h VAL 175 Cb 1.02 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1s64 h VAL 175 CO 0.01 0.46 -0.06 0.22 0.02 0.00 0.00 177.57 178.21 1s64 h TYR 176 N 0.74 0.90 -0.43 1.57 3.20 -1.12 -0.92 116.97 120.91 1s64 h TYR 176 Ca 0.10 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 1s64 h TYR 176 Cb 0.75 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1s64 h TYR 176 CO 0.04 0.90 0.22 0.00 -1.64 0.00 0.00 178.16 177.68 1s64 h ALA 178 N 1.07 0.77 -0.54 0.00 0.00 -0.94 -1.06 119.26 118.55 1s64 h ALA 178 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1s64 h ALA 178 Cb 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1s64 h ALA 178 CO -0.02 0.16 0.27 0.77 0.00 0.00 0.00 179.25 180.42 1s64 h SER 179 N 0.78 0.71 -0.70 0.00 0.02 -0.79 -1.50 113.55 112.07 1s64 h SER 179 Ca 0.23 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1s64 h SER 179 Cb -0.05 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 1s64 h SER 179 CO -0.07 0.63 0.28 0.00 -1.14 0.00 0.00 176.83 176.53 1s64 h ILE 181 N 0.99 1.12 -0.98 0.00 2.04 -0.90 0.34 117.51 120.13 1s64 h ILE 181 Ca 0.23 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1s64 h ILE 181 Cb 0.21 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 1s64 h ILE 181 CO -0.02 0.10 0.65 0.00 0.00 0.00 0.00 178.15 178.88 1s64 h TYR 183 N 1.32 0.48 -0.52 0.00 3.20 -0.84 -0.45 116.97 120.16 1s64 h TYR 183 Ca 0.36 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 62.07 1s64 h TYR 183 Cb -0.14 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 1s64 h TYR 183 CO -0.00 0.57 -0.05 0.52 -1.64 0.00 0.00 178.16 177.57 1s64 h MET 184 N 0.25 0.92 -0.12 1.82 2.86 -0.55 -1.64 114.93 118.47 1s64 h MET 184 Ca 0.08 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1s64 h MET 184 Cb 0.36 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1s64 h MET 184 CO 0.01 0.94 0.00 1.28 1.06 0.00 0.00 176.91 180.20 1s64 n LEU 185 N -4.18 0.93 -4.27 1.22 4.77 -0.21 -4.90 117.00 110.35 1s64 n LEU 185 Ca 0.02 -0.41 -0.33 0.00 -0.03 0.00 0.00 56.01 55.27 1s64 n LEU 185 Cb 0.35 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.29 1s64 n LEU 185 CO 0.43 0.20 -0.31 -3.20 -1.33 0.00 0.00 177.39 173.19 1s64 n ASN 186 N -0.12 -0.38 -3.50 -1.43 5.15 -0.31 -4.92 115.26 109.75 1s64 n ASN 186 Ca 0.13 -1.18 -0.04 0.00 -0.60 0.00 0.00 54.58 52.89 1s64 n ASN 186 Cb 0.19 -2.06 -0.06 0.00 -0.53 0.00 0.00 39.78 37.32 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 -4.03 -0.67 -0.10 1.20 3.84 -0.44 -5.03 114.94 109.70 1s64 s ASN 187 Ca 0.25 1.02 0.11 0.00 0.21 0.00 0.00 52.86 54.45 1s64 s ASN 187 Cb -0.14 1.77 0.51 0.00 -0.55 0.00 0.00 41.25 42.83 1s64 s ASN 187 CO 0.97 -0.25 1.35 0.79 -2.79 0.00 0.00 177.10 177.17 1s64 n TRP 188 N 5.41 1.15 0.90 0.43 7.02 -1.26 -4.04 117.44 127.05 1s64 n TRP 188 Ca -0.07 -0.43 0.09 0.00 -1.02 0.00 0.00 57.50 56.07 1s64 n TRP 188 Cb 0.50 -0.25 0.48 0.00 -2.42 0.00 0.00 31.31 29.62 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 0.60 0.00 0.03 -0.99 3.41 -1.26 -2.56 113.62 112.84 1s64 n SER 189 Ca 0.18 0.03 0.09 0.00 -0.26 0.00 0.00 58.87 58.91 1s64 n SER 189 Cb 0.73 -0.29 0.39 0.00 -0.26 0.00 0.00 64.21 64.77 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 0.36 -1.14 3.32 5.00 0.00 -1.26 -4.81 105.19 106.67 1s64 n GLY 190 Ca 0.09 -0.03 -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 -3.06 1.07 -0.95 1.61 0.23 -1.06 -2.62 119.30 114.53 1s64 s MET 191 Ca 0.08 -0.74 -0.17 0.00 -1.03 0.00 0.00 55.69 53.83 1s64 s MET 191 Cb 0.11 0.46 0.15 0.00 -1.53 0.00 0.00 34.83 34.03 1s64 s MET 191 CO 0.33 -0.42 1.10 0.34 -2.03 0.00 0.00 175.02 174.35 1s64 s ASP 192 N -2.81 6.73 0.31 -1.18 3.68 -1.26 -4.89 116.67 117.24 1s64 s ASP 192 Ca 0.04 -2.31 0.07 0.00 2.13 0.00 0.00 52.55 52.47 1s64 s ASP 192 Cb 0.02 -2.36 0.77 0.00 -1.45 0.00 0.00 42.92 39.89 1s64 s ASP 192 CO -0.11 -0.92 1.79 -0.03 0.13 0.00 0.00 175.17 176.02 1s64 h MET 193 N 8.39 0.72 -0.73 4.34 1.85 -1.98 -1.54 114.93 125.98 1s64 h MET 193 Ca 0.17 -0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.23 1s64 h MET 193 Cb 1.00 -0.16 -0.04 0.00 0.43 0.00 0.00 31.60 32.83 1s64 h MET 193 CO 1.06 0.48 0.48 -0.22 -0.40 0.00 0.00 176.91 178.30 1s64 h LYS 194 N 0.74 0.93 -0.13 0.39 3.64 -2.00 -0.48 116.57 119.67 1s64 h LYS 194 Ca 0.56 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.73 1s64 h LYS 194 Cb 0.91 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1s64 h LYS 194 CO -0.35 0.61 -0.58 0.87 -2.27 0.00 0.00 179.45 177.73 1s64 h LYS 195 N 0.95 0.41 -0.37 1.90 1.57 -1.68 -2.09 116.57 117.26 1s64 h LYS 195 Ca 0.28 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1s64 h LYS 195 Cb -0.06 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1s64 h LYS 195 CO -0.08 0.87 0.05 0.00 -0.57 0.00 0.00 179.45 179.73 1s64 h ALA 196 N 1.07 0.50 -0.80 3.86 0.00 -0.96 -1.55 119.26 121.37 1s64 h ALA 196 Ca -0.00 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1s64 h ALA 196 Cb 1.11 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1s64 h ALA 196 CO 0.10 0.21 0.53 0.82 0.00 0.00 0.00 179.25 180.91 1s64 h ILE 197 N 0.46 1.18 -0.79 0.00 2.04 -1.03 -0.88 117.51 118.49 1s64 h ILE 197 Ca 0.11 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.63 1s64 h ILE 197 Cb 0.37 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 1s64 h ILE 197 CO 0.01 0.19 0.51 -1.28 0.00 0.00 0.00 178.15 177.58 1s64 h SER 198 N 1.06 0.86 -0.61 1.72 0.87 -1.03 -0.72 113.55 115.71 1s64 h SER 198 Ca 0.30 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.81 1s64 h SER 198 Cb -0.08 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 1s64 h SER 198 CO -0.08 0.61 0.21 0.22 -0.53 0.00 0.00 176.83 177.26 1s64 h TYR 199 N 1.02 0.96 -0.61 2.24 3.20 -0.38 -1.55 116.97 121.84 1s64 h TYR 199 Ca 0.30 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1s64 h TYR 199 Cb -0.05 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 37.91 1s64 h TYR 199 CO -0.02 0.78 0.25 0.82 -1.64 0.00 0.00 178.16 178.35 1s64 h ILE 200 N 0.86 1.23 -0.26 1.81 2.04 -0.66 -2.48 117.51 120.04 1s64 h ILE 200 Ca 0.20 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1s64 h ILE 200 Cb 0.26 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1s64 h ILE 200 CO -0.01 0.28 0.06 0.03 0.00 0.00 0.00 178.15 178.51 1s64 h ARG 201 N 0.85 0.42 0.00 2.37 3.08 -0.95 -2.69 114.38 117.46 1s64 h ARG 201 Ca 0.20 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1s64 h ARG 201 Cb 0.20 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1s64 h ARG 201 CO -0.02 0.52 0.00 0.54 -1.07 0.00 0.00 179.97 179.94 1s64 n ARG 202 N -4.70 0.07 0.00 0.04 1.74 -0.60 -1.66 116.66 111.55 1s64 n ARG 202 Ca -0.03 0.48 0.13 0.00 -0.77 0.00 0.00 57.85 57.66 1s64 n ARG 202 Cb 0.18 -1.70 0.41 0.00 -1.02 0.00 0.00 32.46 30.34 1s64 n ARG 202 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1s64 n SER 203 N -1.84 0.48 -4.72 0.55 3.41 -0.95 -4.02 113.62 106.53 1s64 n SER 203 Ca 0.01 -0.27 -0.42 0.00 -0.26 0.00 0.00 58.87 57.93 1s64 n SER 203 Cb 0.08 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.82 4.27 0.62 4.33 0.00 -0.67 -1.36 119.30 123.68 1s64 s MET 204 Ca 0.17 2.22 -0.02 0.00 0.00 0.00 0.00 55.69 58.05 1s64 s MET 204 Cb 0.19 -3.21 0.05 0.00 0.00 0.00 0.00 34.83 31.85 1s64 s MET 204 CO 0.60 -0.52 0.89 0.45 0.00 0.00 0.00 175.02 176.43 1s64 s SER 205 N 1.14 5.06 0.56 1.11 0.15 -0.17 -4.87 113.70 116.70 1s64 s SER 205 Ca 0.67 0.22 0.32 0.00 0.70 0.00 0.00 55.95 57.86 1s64 s SER 205 Cb -0.40 -0.99 1.66 0.00 -1.71 0.00 0.00 66.02 64.57 1s64 s SER 205 CO 0.31 -1.35 2.13 0.10 1.20 0.00 0.00 173.24 175.62 1s64 h TYR 206 N -0.24 0.00 -0.28 3.44 -0.00 -1.94 -0.23 116.97 117.71 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 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.04 1s64 h TYR 206 CO 0.36 0.07 0.00 -0.40 -0.00 0.00 0.00 178.16 178.18 1s64 n ASP 207 N -3.42 2.10 0.00 0.10 3.85 -1.26 -4.94 116.55 112.98 1s64 n ASP 207 Ca -0.02 -1.85 0.00 0.00 -0.71 0.00 0.00 54.79 52.22 1s64 n ASP 207 Cb 0.21 -0.18 0.00 0.00 -1.35 0.00 0.00 41.12 39.80 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 0.62 0.00 -4.51 -1.12 3.02 -0.10 -4.79 115.26 108.37 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 0.37 -0.03 0.13 0.00 -0.61 0.00 0.00 39.78 39.64 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 -2.00 1.75 -0.10 7.41 0.00 -1.26 -4.20 107.32 108.91 1s64 s GLY 209 Ca 0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 44.72 43.37 1s64 s GLY 209 CO 0.00 -0.71 0.02 1.08 0.00 0.00 0.00 173.10 173.50 1s64 s LEU 210 N -5.48 3.70 0.52 0.66 1.02 -1.26 -1.00 118.68 116.84 1s64 s LEU 210 Ca 0.68 0.17 0.08 0.00 0.02 0.00 0.00 54.13 55.07 1s64 s LEU 210 Cb -0.06 -1.87 0.04 0.00 0.02 0.00 0.00 46.19 44.32 1s64 s LEU 210 CO 0.48 0.35 0.54 0.00 0.02 0.00 0.00 176.35 177.74 1s64 s ALA 211 N -0.72 4.45 0.38 4.21 0.00 -0.46 -1.27 121.76 128.35 1s64 s ALA 211 Ca 0.12 -1.72 0.25 0.00 0.00 0.00 0.00 51.96 50.60 1s64 s ALA 211 Cb -0.12 -1.10 1.31 0.00 0.00 0.00 0.00 23.12 23.22 1s64 s ALA 211 CO 0.02 -0.52 2.02 1.96 0.00 0.00 0.00 175.76 179.24 1s64 h GLN 212 N 0.62 0.00 -2.35 0.00 1.08 -1.88 -3.45 115.11 109.13 1s64 h GLN 212 Ca -0.36 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.01 1s64 h GLN 212 Cb 1.29 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.63 1s64 h GLN 212 CO 0.51 0.15 0.48 0.20 -0.95 0.00 0.00 178.83 179.22 1s64 s GLY 213 N -4.21 -0.26 0.19 3.46 0.00 -1.26 -2.23 107.32 103.00 1s64 s GLY 213 Ca -0.02 0.23 -0.33 0.00 0.00 0.00 0.00 44.72 44.60 1s64 s GLY 213 CO 0.61 0.04 1.39 0.00 0.00 0.00 0.00 173.10 175.14 1s64 n ALA 214 N -0.44 0.51 0.00 3.20 0.00 -1.26 -2.21 120.51 120.31 1s64 n ALA 214 Ca -0.06 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1s64 n ALA 214 Cb 0.61 -2.22 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 2.47 2.99 3.85 0.00 0.00 -1.26 -5.03 105.19 108.22 1s64 n GLY 215 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 2.79 0.10 0.99 1.02 -0.94 -4.99 118.68 117.66 1s64 s LEU 216 Ca 0.00 1.20 -0.31 0.00 0.02 0.00 0.00 54.13 55.04 1s64 s LEU 216 Cb 0.00 -3.93 -0.09 0.00 0.02 0.00 0.00 46.19 42.19 1s64 s LEU 216 CO 0.00 -1.57 1.60 -0.70 0.02 0.00 0.00 176.35 175.71 1s64 s GLU 217 N -5.29 4.21 0.55 1.70 2.12 -1.26 -4.69 118.70 116.05 1s64 s GLU 217 Ca 0.59 2.32 -0.21 0.00 0.36 0.00 0.00 54.97 58.03 1s64 s GLU 217 Cb -0.12 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.80 1s64 s GLU 217 CO 0.53 -0.67 1.33 -1.54 -0.54 0.00 0.00 175.26 174.37 1s64 s SER 218 N 1.89 5.25 0.00 -1.70 1.04 -1.26 -4.45 113.70 114.48 1s64 s SER 218 Ca 0.72 2.70 -0.07 0.00 0.48 0.00 0.00 55.95 59.78 1s64 s SER 218 Cb -0.41 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.08 1s64 s SER 218 CO 0.32 -1.57 0.14 -2.28 0.98 0.00 0.00 173.24 170.82 1s64 s HIS 219 N -1.34 0.03 0.36 5.02 2.46 -0.40 -4.81 115.29 116.61 1s64 s HIS 219 Ca 0.72 -0.12 0.03 0.00 0.47 0.00 0.00 55.06 56.17 1s64 s HIS 219 Cb -0.39 -0.04 0.69 0.00 -0.13 0.00 0.00 32.58 32.70 1s64 s HIS 219 CO 0.45 -0.29 2.02 0.78 -2.47 0.00 0.00 174.74 175.24 1s64 h GLY 220 N 4.28 0.81 0.63 1.59 0.00 -0.52 -0.30 103.07 109.57 1s64 h GLY 220 Ca -0.31 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 1s64 h GLY 220 CO 0.41 0.30 -0.07 -1.33 0.00 0.00 0.00 176.54 175.85 1s64 h GLY 221 N 0.79 0.20 1.96 4.60 0.00 -1.91 -2.12 103.07 106.58 1s64 h GLY 221 Ca 0.21 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 1s64 h GLY 221 CO -0.04 0.18 -0.43 1.48 0.00 0.00 0.00 176.54 177.72 1s64 h SER 222 N -0.24 0.05 -0.51 0.19 4.64 -1.76 -0.65 113.55 115.27 1s64 h SER 222 Ca 0.01 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1s64 h SER 222 Cb 0.57 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1s64 h SER 222 CO 0.02 0.48 -0.12 0.74 -0.87 0.00 0.00 176.83 177.07 1s64 h THR 223 N 0.04 1.27 -0.06 2.95 2.02 -1.05 0.42 112.91 118.50 1s64 h THR 223 Ca 0.00 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 65.91 1s64 h THR 223 Cb 0.78 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1s64 h THR 223 CO 0.06 0.44 0.02 0.15 0.37 0.00 0.00 175.52 176.57 1s64 h PHE 224 N 0.84 0.08 -0.67 3.16 3.57 -0.95 -0.90 116.94 122.07 1s64 h PHE 224 Ca 0.13 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.69 1s64 h PHE 224 Cb 0.69 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.34 1s64 h PHE 224 CO 0.05 0.19 0.36 0.00 -2.23 0.00 0.00 178.31 176.67 1s64 h GLY 226 N 0.65 -0.18 0.89 0.00 0.00 -0.76 -1.60 103.07 102.05 1s64 h GLY 226 Ca 0.31 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.68 1s64 h GLY 226 CO -0.20 -0.07 0.07 -2.22 0.00 0.00 0.00 176.54 174.12 1s64 h ILE 227 N -0.43 1.21 -0.91 2.60 1.08 -0.93 -2.36 117.51 117.76 1s64 h ILE 227 Ca -0.02 -0.69 -0.01 0.00 -0.39 0.00 0.00 64.86 63.76 1s64 h ILE 227 Cb 0.34 1.15 -0.04 0.00 -3.07 0.00 0.00 36.82 35.20 1s64 h ILE 227 CO 0.03 0.22 0.55 0.00 -0.69 0.00 0.00 178.15 178.26 1s64 h ALA 228 N 0.90 1.16 -0.17 1.87 0.00 -0.64 -0.92 119.26 121.46 1s64 h ALA 228 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s64 h ALA 228 Cb 0.27 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1s64 h ALA 228 CO 0.00 0.63 0.11 0.77 0.00 0.00 0.00 179.25 180.75 1s64 h SER 229 N 1.26 0.18 -0.95 0.00 0.02 -1.14 0.18 113.55 113.09 1s64 h SER 229 Ca 0.33 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1s64 h SER 229 Cb -0.05 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.40 1s64 h SER 229 CO -0.06 0.13 0.63 -0.07 -1.14 0.00 0.00 176.83 176.33 1s64 h LEU 230 N 0.22 1.09 -0.61 5.07 3.38 -0.97 -1.11 115.31 122.39 1s64 h LEU 230 Ca 0.07 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1s64 h LEU 230 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1s64 h LEU 230 CO -0.02 0.79 0.09 0.00 0.09 0.00 0.00 178.44 179.39 1s64 h LEU 232 N 0.93 0.44 0.00 0.00 4.07 -0.42 -0.39 115.31 119.94 1s64 h LEU 232 Ca 0.19 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1s64 h LEU 232 Cb 0.44 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1s64 h LEU 232 CO 0.01 0.46 -0.10 0.24 -1.08 0.00 0.00 178.44 177.97 1s64 h MET 233 N 0.48 0.00 -2.95 1.13 2.86 -0.60 -3.48 114.93 112.37 1s64 h MET 233 Ca 0.11 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.56 1s64 h MET 233 Cb 0.20 0.00 0.05 0.00 0.06 0.00 0.00 31.60 31.91 1s64 h MET 233 CO -0.00 0.00 -0.31 0.41 1.06 0.00 0.00 176.91 178.06 1s64 n GLY 234 N 1.30 0.18 0.26 8.32 0.00 0.36 -4.95 105.19 110.66 1s64 n GLY 234 Ca 0.05 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.53 0.71 0.18 1.61 5.02 -0.04 -4.87 118.16 118.24 1s64 n LYS 235 Ca -0.02 -1.65 -0.15 0.00 -2.02 0.00 0.00 58.31 54.47 1s64 n LYS 235 Cb 0.54 -0.94 -0.08 0.00 -0.02 0.00 0.00 35.03 34.53 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 0.00 -1.11 -1.47 -0.35 6.46 -1.90 -0.78 115.31 116.15 1s64 h LEU 236 Ca 0.00 0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1s64 h LEU 236 Cb 1.15 0.39 -0.03 0.00 -0.73 0.00 0.00 40.66 41.45 1s64 h LEU 236 CO 0.00 -0.51 0.37 -0.33 -0.62 0.00 0.00 178.44 177.35 1s64 h GLU 237 N -0.72 0.69 -0.10 1.25 4.39 -1.89 -2.06 114.58 116.13 1s64 h GLU 237 Ca -0.01 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.48 1s64 h GLU 237 Cb 0.69 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1s64 h GLU 237 CO -0.14 0.46 -0.66 1.49 -1.16 0.00 0.00 179.01 179.00 1s64 h GLU 238 N 0.71 0.41 0.19 2.33 4.81 -1.81 -3.35 114.58 117.88 1s64 h GLU 238 Ca 0.21 -0.31 -0.34 0.00 -0.13 0.00 0.00 59.36 58.80 1s64 h GLU 238 Cb -0.02 0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.43 1s64 h GLU 238 CO -0.05 0.93 -1.61 0.28 -0.73 0.00 0.00 179.01 177.83 1s64 h VAL 239 N 0.30 1.11 -3.70 0.32 2.07 -0.79 -3.46 116.25 112.10 1s64 h VAL 239 Ca -0.02 -2.65 -0.68 0.00 0.82 0.00 0.00 66.70 64.18 1s64 h VAL 239 Cb 1.22 2.86 -0.24 0.00 -1.52 0.00 0.00 31.29 33.61 1s64 h VAL 239 CO 0.11 0.84 -0.75 -0.36 0.02 0.00 0.00 177.57 177.43 1s64 s PHE 240 N -2.60 2.80 0.90 1.57 2.99 -0.81 -5.08 117.98 117.75 1s64 s PHE 240 Ca -0.12 -0.29 -0.12 0.00 0.00 0.00 0.00 56.93 56.41 1s64 s PHE 240 Cb 0.05 -1.73 0.13 0.00 0.00 0.00 0.00 43.02 41.47 1s64 s PHE 240 CO 0.89 0.07 1.11 -1.54 -0.00 0.00 0.00 175.22 175.75 1s64 s SER 241 N -0.34 3.58 0.23 1.36 1.04 -1.26 -4.64 113.70 113.68 1s64 s SER 241 Ca 0.04 1.22 -0.08 0.00 0.48 0.00 0.00 55.95 57.61 1s64 s SER 241 Cb -0.13 -1.88 0.23 0.00 0.10 0.00 0.00 66.02 64.34 1s64 s SER 241 CO 0.02 -2.54 1.90 -0.08 0.98 0.00 0.00 173.24 173.53 1s64 h GLU 242 N -1.48 1.15 -0.52 4.02 4.81 -1.99 0.58 114.58 121.15 1s64 h GLU 242 Ca -0.50 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.63 1s64 h GLU 242 Cb 1.30 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 1s64 h GLU 242 CO 0.59 0.76 0.23 -0.22 -0.73 0.00 0.00 179.01 179.63 1s64 h LYS 243 N 1.18 0.76 -0.22 1.92 3.64 -1.99 -0.89 116.57 120.97 1s64 h LYS 243 Ca 0.34 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1s64 h LYS 243 Cb -0.10 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1s64 h LYS 243 CO -0.08 0.65 0.11 0.93 -2.27 0.00 0.00 179.45 178.79 1s64 h GLU 244 N 0.69 0.32 -0.29 1.90 5.08 -1.72 -1.97 114.58 118.59 1s64 h GLU 244 Ca 0.17 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1s64 h GLU 244 Cb 0.16 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1s64 h GLU 244 CO -0.02 0.33 0.12 -0.07 -1.00 0.00 0.00 179.01 178.37 1s64 h LEU 245 N 0.23 0.36 -0.90 1.33 3.38 -0.72 -0.84 115.31 118.15 1s64 h LEU 245 Ca 0.08 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1s64 h LEU 245 Cb 0.11 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1s64 h LEU 245 CO -0.01 0.33 -0.18 0.78 0.09 0.00 0.00 178.44 179.44 1s64 h ASN 246 N 0.40 0.60 -0.32 -0.43 2.35 -0.65 0.10 115.58 117.63 1s64 h ASN 246 Ca 0.10 -0.19 -0.17 0.00 -0.55 0.00 0.00 56.30 55.49 1s64 h ASN 246 Cb 0.08 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1s64 h ASN 246 CO -0.01 0.79 -0.48 0.03 -1.65 0.00 0.00 177.43 176.11 1s64 h ARG 247 N 0.54 0.89 -0.39 0.81 3.08 -0.53 -1.69 114.38 117.09 1s64 h ARG 247 Ca 0.09 -0.53 -0.06 0.00 0.07 0.00 0.00 59.98 59.55 1s64 h ARG 247 Cb 0.62 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1s64 h ARG 247 CO 0.04 1.17 0.02 0.82 -1.07 0.00 0.00 179.97 180.95 1s64 h ILE 248 N 0.69 1.26 -0.62 2.04 2.04 -0.97 -1.50 117.51 120.44 1s64 h ILE 248 Ca 0.03 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 64.96 1s64 h ILE 248 Cb 1.08 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 1s64 h ILE 248 CO 0.11 0.33 0.37 0.11 0.00 0.00 0.00 178.15 179.06 1s64 h LYS 249 N 0.51 0.69 -0.42 2.37 1.57 -0.91 -0.42 116.57 119.95 1s64 h LYS 249 Ca 0.11 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1s64 h LYS 249 Cb 0.45 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1s64 h LYS 249 CO 0.02 0.45 0.28 -0.09 -0.57 0.00 0.00 179.45 179.54 1s64 h ARG 250 N 0.71 0.55 -0.48 3.15 9.65 -1.03 -0.05 114.38 126.88 1s64 h ARG 250 Ca 0.26 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 59.12 1s64 h ARG 250 Cb 0.08 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 1s64 h ARG 250 CO -0.13 0.36 0.31 2.35 2.80 0.00 0.00 179.97 185.66 1s64 h TRP 251 N 0.56 0.59 -0.03 2.20 7.01 -0.62 -2.30 115.95 123.36 1s64 h TRP 251 Ca 0.16 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.17 1s64 h TRP 251 Cb -0.06 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 26.80 1s64 h TRP 251 CO -0.05 0.37 0.00 0.00 -2.79 0.00 0.00 178.44 175.97 1s64 h ILE 253 N -0.21 0.00 0.00 0.00 2.10 -0.96 0.05 117.51 118.49 1s64 h ILE 253 Ca 0.01 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.70 1s64 h ILE 253 Cb 0.28 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 1s64 h ILE 253 CO 0.00 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.30 1s64 n MET 254 N -2.63 0.03 0.20 2.19 2.81 -0.87 -3.18 117.12 115.67 1s64 n MET 254 Ca 0.00 0.05 0.14 0.00 -1.81 0.00 0.00 57.70 56.08 1s64 n MET 254 Cb 0.20 -1.50 0.50 0.00 -0.71 0.00 0.00 33.22 31.71 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 -6.26 0.03 2.47 -1.00 -3.44 114.38 106.18 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 0.43 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.72 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 -3.41 4.40 -0.13 0.04 0.74 -1.19 -2.48 119.66 117.63 1s64 s GLN 256 Ca 0.04 1.44 -0.01 0.00 0.05 0.00 0.00 55.36 56.89 1s64 s GLN 256 Cb 0.09 -3.55 -0.08 0.00 1.10 0.00 0.00 33.01 30.57 1s64 s GLN 256 CO 0.53 -0.36 -0.12 1.04 -0.55 0.00 0.00 175.29 175.83 1s64 n GLN 257 N 5.13 0.31 0.10 1.67 1.13 -1.26 -4.97 117.38 119.48 1s64 n GLN 257 Ca 0.09 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 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 -3.01 -1.84 -0.58 1.08 0.23 -1.26 -5.07 115.26 104.81 1s64 n ASN 258 Ca -0.23 0.43 0.00 0.00 -0.53 0.00 0.00 54.58 54.25 1s64 n ASN 258 Cb 0.72 1.95 0.00 0.00 -2.08 0.00 0.00 39.78 40.37 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 -1.46 1.43 3.34 4.83 0.00 -1.26 -2.34 105.19 109.74 1s64 n GLY 259 Ca 0.00 -1.94 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 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 1.70 2.19 0.36 1.61 1.51 -1.26 -4.48 117.35 118.98 1s64 s TYR 260 Ca 0.00 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.74 1s64 s TYR 260 Cb 0.00 -1.25 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 1s64 s TYR 260 CO 0.00 0.21 0.28 -3.38 -1.11 0.00 0.00 175.55 171.55 1s64 s HIS 261 N -0.95 2.79 -0.33 2.71 -3.43 -1.04 -1.13 115.29 113.93 1s64 s HIS 261 Ca 0.11 -0.39 0.22 0.00 -0.80 0.00 0.00 55.06 54.21 1s64 s HIS 261 Cb -0.10 -1.88 0.16 0.00 -1.43 0.00 0.00 32.58 29.33 1s64 s HIS 261 CO 0.04 0.13 1.32 0.78 -2.00 0.00 0.00 174.74 175.01 1s64 h GLY 262 N 1.26 0.00 -3.49 -1.38 0.00 -1.87 -3.46 103.07 94.13 1s64 h GLY 262 Ca -0.43 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1s64 h GLY 262 CO 0.60 0.00 0.24 1.09 0.00 0.00 0.00 176.54 178.47 1s64 s ARG 263 N -3.26 1.12 0.23 4.80 1.70 -1.26 0.22 118.95 122.50 1s64 s ARG 263 Ca 0.03 -0.14 -0.29 0.00 -0.47 0.00 0.00 55.73 54.86 1s64 s ARG 263 Cb 0.07 0.52 -0.16 0.00 -0.57 0.00 0.00 34.95 34.82 1s64 s ARG 263 CO 0.73 -0.43 0.79 -2.30 -1.08 0.00 0.00 175.30 173.01 1s64 n PRO 264 N 0.19 0.65 -1.85 3.89 -0.02 -1.26 -2.21 135.00 134.39 1s64 n PRO 264 Ca -0.17 0.23 -0.20 0.00 -2.02 0.00 0.00 63.50 61.34 1s64 n PRO 264 Cb 0.61 -1.44 -0.06 0.00 -0.02 0.00 0.00 33.50 32.59 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 1.66 -5.56 -4.54 2.55 3.02 -1.26 -5.01 115.26 106.13 1s64 n ASN 265 Ca 0.14 0.33 -0.29 0.00 -0.03 0.00 0.00 54.58 54.74 1s64 n ASN 265 Cb 0.27 -4.76 -0.10 0.00 -0.61 0.00 0.00 39.78 34.58 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 -4.14 1.95 0.59 3.52 -0.14 -0.94 -5.11 119.74 115.47 1s64 s LYS 266 Ca 0.00 -1.15 -0.18 0.00 -1.36 0.00 0.00 55.97 53.28 1s64 s LYS 266 Cb 0.00 -2.19 -0.03 0.00 -1.68 0.00 0.00 37.83 33.93 1s64 s LYS 266 CO 0.00 0.48 1.15 -1.25 -0.76 0.00 0.00 175.35 174.97 1s64 s PRO 267 N -2.31 3.05 0.72 -1.68 0.04 -1.26 -4.77 135.00 128.79 1s64 s PRO 267 Ca 0.21 1.64 -0.14 0.00 0.04 0.00 0.00 61.00 62.74 1s64 s PRO 267 Cb -0.10 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.51 1s64 s PRO 267 CO 0.12 -1.10 1.13 0.14 0.04 0.00 0.00 177.00 177.34 1s64 s VAL 268 N -1.85 2.98 -0.09 -0.36 -7.23 -1.26 -4.56 120.40 108.02 1s64 s VAL 268 Ca 0.73 0.42 -0.04 0.00 -1.81 0.00 0.00 61.98 61.28 1s64 s VAL 268 Cb -0.25 -2.90 0.05 0.00 0.56 0.00 0.00 36.38 33.83 1s64 s VAL 268 CO 0.33 -0.32 0.20 -0.62 -0.31 0.00 0.00 175.10 174.39 1s64 s ASP 269 N -2.64 0.03 0.29 4.85 -1.08 -0.28 -4.83 116.67 113.01 1s64 s ASP 269 Ca 0.67 0.44 0.01 0.00 -0.52 0.00 0.00 52.55 53.15 1s64 s ASP 269 Cb -0.22 0.36 0.69 0.00 -1.46 0.00 0.00 42.92 42.30 1s64 s ASP 269 CO 0.46 -0.18 1.48 0.41 0.52 0.00 0.00 175.17 177.86 1s64 n THR 270 N 4.56 -0.40 0.24 1.71 -1.04 -0.80 -1.07 114.28 117.49 1s64 n THR 270 Ca -0.20 2.09 0.17 0.00 -2.04 0.00 0.00 64.05 64.07 1s64 n THR 270 Cb 0.52 -3.04 0.87 0.00 -1.82 0.00 0.00 70.33 66.86 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 -1.33 -0.83 116.97 114.86 1s64 h TYR 272 Ca 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1s64 h TYR 272 Cb 0.31 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.05 1s64 h TYR 272 CO 0.00 0.00 -0.07 0.77 -1.05 0.00 0.00 178.16 177.81 1s64 h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.22 -0.03 113.55 116.20 1s64 h SER 273 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1s64 h SER 273 Cb 0.42 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 1s64 h SER 273 CO 0.00 0.07 -1.93 0.33 -1.14 0.00 0.00 176.83 174.15 1s64 n PHE 274 N -3.81 0.36 -0.06 3.45 7.35 -0.39 -2.87 117.46 121.49 1s64 n PHE 274 Ca -0.02 0.16 -0.09 0.00 -0.76 0.00 0.00 57.45 56.73 1s64 n PHE 274 Cb 0.16 -0.98 -0.03 0.00 0.35 0.00 0.00 39.48 38.98 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 -0.92 0.06 -5.13 4.06 -1.26 0.55 115.95 112.30 1s64 h TRP 275 Ca -0.51 0.05 -0.10 0.00 2.06 0.00 0.00 58.89 60.39 1s64 h TRP 275 Cb 1.42 0.44 0.01 0.00 -1.00 0.00 0.00 29.16 30.03 1s64 h TRP 275 CO -0.07 -0.40 -0.43 0.28 -3.56 0.00 0.00 178.44 174.27 1s64 h VAL 276 N -0.33 1.60 -0.65 1.49 2.07 -1.22 -3.06 116.25 116.14 1s64 h VAL 276 Ca 0.13 -2.31 0.09 0.00 0.82 0.00 0.00 66.70 65.44 1s64 h VAL 276 Cb 0.55 3.11 -0.07 0.00 -1.52 0.00 0.00 31.29 33.36 1s64 h VAL 276 CO -0.45 0.63 0.28 1.23 0.02 0.00 0.00 177.57 179.29 1s64 h GLY 277 N -0.57 0.94 1.83 2.17 0.00 -1.41 0.74 103.07 106.78 1s64 h GLY 277 Ca -0.07 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 1s64 h GLY 277 CO 0.08 0.01 -0.23 0.00 0.00 0.00 0.00 176.54 176.40 1s64 h ALA 278 N 1.43 1.39 -0.17 3.60 0.00 -0.01 0.22 119.26 125.73 1s64 h ALA 278 Ca 0.33 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1s64 h ALA 278 Cb 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1s64 h ALA 278 CO -0.29 0.42 -0.05 1.15 0.00 0.00 0.00 179.25 180.48 1s64 h THR 279 N 0.19 1.29 -0.88 0.00 2.02 -1.01 -0.91 112.91 113.62 1s64 h THR 279 Ca 0.03 -1.03 0.02 0.00 0.77 0.00 0.00 66.41 66.20 1s64 h THR 279 Cb 0.52 1.63 -0.05 0.00 -1.74 0.00 0.00 68.15 68.51 1s64 h THR 279 CO 0.04 0.31 0.58 -0.07 0.37 0.00 0.00 175.52 176.74 1s64 h LEU 280 N 0.03 0.99 -0.54 2.58 3.38 -0.51 -0.40 115.31 120.84 1s64 h LEU 280 Ca 0.04 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1s64 h LEU 280 Cb 0.49 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1s64 h LEU 280 CO 0.02 0.70 0.12 0.50 0.09 0.00 0.00 178.44 179.87 1s64 h LYS 281 N 1.16 0.88 0.00 1.13 1.63 -0.70 -0.59 116.57 120.07 1s64 h LYS 281 Ca 0.33 -0.22 -0.05 0.00 -0.85 0.00 0.00 60.65 59.86 1s64 h LYS 281 Cb -0.08 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.43 1s64 h LYS 281 CO -0.08 0.83 -0.26 -0.07 -3.45 0.00 0.00 179.45 176.42 1s64 h LEU 282 N 0.77 0.00 -1.38 5.20 3.38 -0.39 -1.33 115.31 121.55 1s64 h LEU 282 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1s64 h LEU 282 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 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 -4.12 2.03 -2.20 1.67 4.77 -0.23 -4.94 117.00 113.98 1s64 n LEU 283 Ca -0.02 -0.96 -0.20 0.00 -0.03 0.00 0.00 56.01 54.80 1s64 n LEU 283 Cb 0.32 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1s64 n LEU 283 CO 0.37 0.48 -0.25 0.29 -1.33 0.00 0.00 177.39 176.95 1s64 n LYS 284 N 0.59 -1.56 -0.12 3.23 4.01 -0.50 -4.88 118.16 118.93 1s64 n LYS 284 Ca 0.14 0.97 0.01 0.00 -0.51 0.00 0.00 58.31 58.93 1s64 n LYS 284 Cb 0.35 -5.55 0.02 0.00 -0.51 0.00 0.00 35.03 29.33 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 -3.90 0.53 0.23 -0.18 -5.35 -0.34 -4.73 119.36 105.63 1s64 n ILE 285 Ca -0.23 -0.58 0.06 0.00 -0.27 0.00 0.00 62.75 61.73 1s64 n ILE 285 Cb 0.68 0.59 0.55 0.00 -1.74 0.00 0.00 39.64 39.71 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 0.00 -0.01 4.28 3.57 -1.80 -1.46 116.94 121.52 1s64 h PHE 286 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1s64 h PHE 286 Cb 0.96 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 1s64 h PHE 286 CO 0.02 0.13 0.09 -0.56 -2.23 0.00 0.00 178.31 175.76 1s64 h GLN 287 N 0.00 0.00 -0.41 1.11 3.07 -1.89 -1.42 115.11 115.57 1s64 h GLN 287 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1s64 h GLN 287 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.79 1s64 h GLN 287 CO 0.02 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.60 1s64 n TYR 288 N -3.08 0.54 -2.31 0.06 0.53 -0.55 -4.94 117.16 107.41 1s64 n TYR 288 Ca -0.03 -0.27 -0.25 0.00 -1.02 0.00 0.00 57.90 56.34 1s64 n TYR 288 Cb 0.16 0.00 0.08 0.00 -1.03 0.00 0.00 39.34 38.55 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 -1.46 2.30 -0.49 -0.72 -4.23 -0.54 -5.02 115.64 105.48 1s64 s THR 289 Ca 0.38 -0.36 -0.22 0.00 -1.18 0.00 0.00 61.69 60.31 1s64 s THR 289 Cb 0.21 -2.94 0.04 0.00 1.34 0.00 0.00 72.50 71.15 1s64 s THR 289 CO 0.29 0.00 0.74 0.21 -0.54 0.00 0.00 174.62 175.32 1s64 s ASN 290 N -4.56 6.31 0.04 3.99 3.84 -1.26 -4.94 114.94 118.36 1s64 s ASN 290 Ca 0.62 -0.47 -0.22 0.00 0.21 0.00 0.00 52.86 53.00 1s64 s ASN 290 Cb -0.09 -2.35 -0.14 0.00 -0.55 0.00 0.00 41.25 38.11 1s64 s ASN 290 CO 0.44 -0.95 1.43 -0.26 -2.79 0.00 0.00 177.10 174.98 1s64 h PHE 291 N 9.04 0.24 -0.18 0.43 0.05 -1.95 -3.21 116.94 121.35 1s64 h PHE 291 Ca -0.26 -0.05 0.04 0.00 3.82 0.00 0.00 57.97 61.52 1s64 h PHE 291 Cb 1.09 -0.06 -0.05 0.00 2.00 0.00 0.00 35.95 38.93 1s64 h PHE 291 CO 0.79 0.50 -0.10 1.49 -0.18 0.00 0.00 178.31 180.81 1s64 h GLU 292 N -0.10 -0.09 -0.21 1.51 4.81 -1.97 0.17 114.58 118.70 1s64 h GLU 292 Ca 0.03 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1s64 h GLU 292 Cb 0.42 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1s64 h GLU 292 CO 0.01 -0.06 -0.15 0.87 -0.73 0.00 0.00 179.01 178.95 1s64 h LYS 293 N -0.10 0.35 -0.09 1.92 1.57 -1.85 0.19 116.57 118.56 1s64 h LYS 293 Ca 0.10 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1s64 h LYS 293 Cb 0.25 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1s64 h LYS 293 CO -0.24 0.50 -0.08 -0.97 -0.57 0.00 0.00 179.45 178.09 1s64 h ASN 294 N 0.32 0.23 -0.51 0.86 -1.24 -1.07 -2.04 115.58 112.13 1s64 h ASN 294 Ca 0.06 -0.47 0.01 0.00 0.71 0.00 0.00 56.30 56.60 1s64 h ASN 294 Cb 0.46 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.42 1s64 h ASN 294 CO 0.03 0.66 0.33 -0.09 -1.29 0.00 0.00 177.43 177.07 1s64 h ARG 295 N -0.20 0.66 -0.79 6.67 2.43 -0.74 -1.00 114.38 121.41 1s64 h ARG 295 Ca 0.02 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1s64 h ARG 295 Cb 0.59 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1s64 h ARG 295 CO 0.02 0.44 0.52 -0.91 -1.51 0.00 0.00 179.97 178.53 1s64 h ASN 296 N 0.68 0.89 0.07 -3.80 2.35 -0.95 -1.36 115.58 113.46 1s64 h ASN 296 Ca 0.19 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1s64 h ASN 296 Cb -0.07 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.08 1s64 h ASN 296 CO -0.05 0.64 -0.03 0.22 -1.65 0.00 0.00 177.43 176.56 1s64 h TYR 297 N 1.06 -0.08 -0.22 1.19 3.20 -0.84 -1.54 116.97 119.73 1s64 h TYR 297 Ca 0.30 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.22 1s64 h TYR 297 Cb -0.10 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.14 1s64 h TYR 297 CO -0.02 0.15 -0.18 0.82 -1.64 0.00 0.00 178.16 177.29 1s64 h ILE 298 N -0.31 0.50 0.00 1.81 2.04 -1.01 -1.17 117.51 119.37 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 0.27 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1s64 h ILE 298 CO 0.02 0.00 -0.08 -0.07 0.00 0.00 0.00 178.15 178.02 1s64 h LEU 299 N -0.19 0.00 -0.23 1.44 3.38 -1.21 -1.27 115.31 117.24 1s64 h LEU 299 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1s64 h LEU 299 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1s64 h LEU 299 CO -0.33 0.08 0.00 -1.54 0.09 0.00 0.00 178.44 176.74 1s64 n SER 300 N -4.19 0.27 -1.24 -0.43 3.41 -0.46 -1.99 113.62 109.00 1s64 n SER 300 Ca -0.03 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.26 1s64 n SER 300 Cb 0.16 -0.62 0.27 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.79 0.79 -2.40 6.66 -2.24 -0.48 -4.28 114.28 110.54 1s64 n THR 301 Ca 0.04 -0.89 -0.41 0.00 -2.27 0.00 0.00 64.05 60.51 1s64 n THR 301 Cb 0.22 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 69.12 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 -1.19 4.56 -0.52 -0.78 0.74 -0.84 -0.84 119.66 120.79 1s64 s GLN 302 Ca 0.43 1.88 -0.18 0.00 0.05 0.00 0.00 55.36 57.54 1s64 s GLN 302 Cb 0.24 -3.19 0.08 0.00 1.10 0.00 0.00 33.01 31.23 1s64 s GLN 302 CO 0.32 0.06 0.56 0.34 -0.55 0.00 0.00 175.29 176.02 1s64 s ASP 303 N -0.48 6.19 0.33 6.67 -1.08 -0.71 -4.86 116.67 122.72 1s64 s ASP 303 Ca 0.48 -1.23 0.24 0.00 -0.52 0.00 0.00 52.55 51.52 1s64 s ASP 303 Cb -0.33 -2.25 1.17 0.00 -1.46 0.00 0.00 42.92 40.04 1s64 s ASP 303 CO 0.41 -0.86 1.74 0.03 0.52 0.00 0.00 175.17 177.01 1s64 h ARG 304 N 8.95 0.00 0.00 4.34 3.08 -1.89 0.22 114.38 129.08 1s64 h ARG 304 Ca -0.28 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.58 1s64 h ARG 304 Cb 1.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 1s64 h ARG 304 CO 0.98 0.00 -1.42 -0.11 -1.07 0.00 0.00 179.97 178.35 1s64 n LEU 305 N -2.34 1.91 0.00 3.04 -0.00 -1.26 -4.65 117.00 113.69 1s64 n LEU 305 Ca 0.00 0.41 0.11 0.00 -0.00 0.00 0.00 56.01 56.53 1s64 n LEU 305 Cb 0.14 -0.83 -0.01 0.00 -0.00 0.00 0.00 43.42 42.72 1s64 n LEU 305 CO 0.16 0.04 0.09 1.33 -0.00 0.00 0.00 177.39 179.01 1s64 n VAL 306 N -4.42 0.00 -0.01 1.96 0.24 -1.23 -5.08 118.33 109.78 1s64 n VAL 306 Ca -0.28 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1s64 n VAL 306 Cb 0.61 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 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 1.49 -2.99 0.20 7.63 0.00 0.76 -4.46 105.19 107.83 1s64 n GLY 307 Ca 0.04 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.66 -1.49 3.25 -0.02 0.00 -1.26 -4.31 105.19 100.71 1s64 n GLY 308 Ca 0.00 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.36 1.54 0.53 1.61 0.40 -1.26 -1.74 117.98 117.70 1s64 s PHE 309 Ca 0.00 -0.47 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 1s64 s PHE 309 Cb 0.00 -0.83 0.03 0.00 0.51 0.00 0.00 43.02 42.73 1s64 s PHE 309 CO 0.00 0.17 0.41 0.00 0.70 0.00 0.00 175.22 176.50 1s64 s ALA 310 N -1.56 4.39 0.08 5.36 0.00 -0.02 -2.71 121.76 127.31 1s64 s ALA 310 Ca 0.06 -1.38 0.08 0.00 0.00 0.00 0.00 51.96 50.73 1s64 s ALA 310 Cb -0.08 -0.77 -0.19 0.00 0.00 0.00 0.00 23.12 22.08 1s64 s ALA 310 CO 0.04 -0.44 1.23 1.57 0.00 0.00 0.00 175.76 178.15 1s64 h LYS 311 N 0.76 0.00 -5.05 0.00 2.10 -1.87 -3.41 116.57 109.11 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 32.47 1s64 h LYS 311 CO 0.57 0.90 -0.72 -1.58 -2.00 0.00 0.00 179.45 176.62 1s64 s TRP 312 N -2.72 1.22 0.54 0.07 0.51 -1.26 -1.91 118.94 115.38 1s64 s TRP 312 Ca 0.01 -0.73 -0.21 0.00 -2.12 0.00 0.00 56.10 53.04 1s64 s TRP 312 Cb 0.10 -0.63 -0.05 0.00 -0.81 0.00 0.00 33.47 32.07 1s64 s TRP 312 CO 0.81 0.06 1.27 -1.25 -0.51 0.00 0.00 176.95 177.33 1s64 s PRO 313 N -3.49 3.25 -1.55 4.98 0.04 -1.26 -2.87 135.00 134.09 1s64 s PRO 313 Ca 0.14 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.14 1s64 s PRO 313 Cb 0.01 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1s64 s PRO 313 CO 0.00 -1.04 0.62 -0.25 0.04 0.00 0.00 177.00 176.38 1s64 n ASP 314 N -1.04 -6.08 -4.47 6.66 10.43 -1.26 -4.99 116.55 115.80 1s64 n ASP 314 Ca 0.10 -0.30 -0.23 0.00 2.57 0.00 0.00 54.79 56.94 1s64 n ASP 314 Cb 0.47 -4.91 -0.10 0.00 1.84 0.00 0.00 41.12 38.41 1s64 n ASP 314 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1s64 s SER 315 N -2.72 3.21 0.13 -2.24 0.15 -1.14 -5.11 113.70 105.98 1s64 s SER 315 Ca 0.32 -1.16 -0.30 0.00 0.70 0.00 0.00 55.95 55.51 1s64 s SER 315 Cb -0.14 -0.25 -0.07 0.00 -1.71 0.00 0.00 66.02 63.85 1s64 s SER 315 CO 0.39 -0.22 1.19 -1.00 1.20 0.00 0.00 173.24 174.80 1s64 s HIS 316 N -2.79 3.45 0.54 3.44 3.76 -1.26 -4.68 115.29 117.74 1s64 s HIS 316 Ca 0.30 1.37 -0.15 0.00 -0.15 0.00 0.00 55.06 56.43 1s64 s HIS 316 Cb 0.02 -3.42 -0.07 0.00 1.11 0.00 0.00 32.58 30.22 1s64 s HIS 316 CO 0.13 -1.21 0.99 -1.25 -0.85 0.00 0.00 174.74 172.56 1s64 s PRO 317 N 0.36 3.86 0.16 8.40 0.04 -1.26 -4.55 135.00 142.01 1s64 s PRO 317 Ca 0.55 0.89 -0.07 0.00 0.04 0.00 0.00 61.00 62.41 1s64 s PRO 317 Cb -0.31 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 1s64 s PRO 317 CO 0.33 -0.34 0.25 0.16 0.04 0.00 0.00 177.00 177.43 1s64 s ASP 318 N -3.36 0.09 0.19 6.66 1.47 -1.10 -4.95 116.67 115.68 1s64 s ASP 318 Ca 0.58 -0.94 -0.11 0.00 1.18 0.00 0.00 52.55 53.25 1s64 s ASP 318 Cb -0.10 0.41 0.18 0.00 -0.34 0.00 0.00 42.92 43.07 1s64 s ASP 318 CO 0.37 -0.87 1.80 0.00 0.68 0.00 0.00 175.17 177.15 1s64 h ALA 319 N 2.59 0.76 0.03 2.11 0.00 -1.97 -1.21 119.26 121.57 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 1.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1s64 h ALA 319 CO 0.50 -0.02 -0.01 1.25 0.00 0.00 0.00 179.25 180.97 1s64 h LEU 320 N 0.60 -0.03 -0.95 0.00 6.46 -1.95 -0.71 115.31 118.72 1s64 h LEU 320 Ca 0.26 -0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.94 1s64 h LEU 320 Cb 0.15 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1s64 h LEU 320 CO -0.16 -0.01 -0.32 0.45 -0.62 0.00 0.00 178.44 177.77 1s64 h HIS 321 N -0.04 0.00 -0.16 1.25 3.86 -1.76 -0.71 115.15 117.59 1s64 h HIS 321 Ca -0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1s64 h HIS 321 Cb 0.03 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1s64 h HIS 321 CO -0.08 0.32 -0.09 0.00 0.86 0.00 0.00 177.93 178.95 1s64 h ALA 322 N 1.68 0.23 -0.09 2.45 0.00 -0.95 0.68 119.26 123.25 1s64 h ALA 322 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1s64 h ALA 322 Cb 0.87 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1s64 h ALA 322 CO 0.04 0.06 0.00 -0.92 0.00 0.00 0.00 179.25 178.43 1s64 h TYR 323 N 0.02 0.18 -0.04 0.00 3.20 -0.93 -2.04 116.97 117.36 1s64 h TYR 323 Ca 0.03 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1s64 h TYR 323 Cb 0.58 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1s64 h TYR 323 CO 0.07 0.41 -0.44 0.74 -1.64 0.00 0.00 178.16 177.30 1s64 h PHE 324 N -0.11 0.10 -0.50 -3.82 -1.00 -1.17 -0.56 116.94 109.87 1s64 h PHE 324 Ca 0.03 -0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 1s64 h PHE 324 Cb 0.34 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.86 1s64 h PHE 324 CO 0.03 0.51 0.07 0.78 -1.61 0.00 0.00 178.31 178.09 1s64 h GLY 325 N 1.31 0.91 1.02 -1.45 0.00 -0.78 0.19 103.07 104.27 1s64 h GLY 325 Ca 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.65 1s64 h GLY 325 CO 0.06 0.57 0.06 -2.22 0.00 0.00 0.00 176.54 175.01 1s64 h ILE 326 N 0.72 1.26 -0.09 2.60 2.04 -1.02 -1.21 117.51 121.80 1s64 h ILE 326 Ca 0.15 -1.01 -0.08 0.00 1.00 0.00 0.00 64.86 64.92 1s64 h ILE 326 Cb 0.41 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1s64 h ILE 326 CO 0.01 0.37 -0.32 0.00 0.00 0.00 0.00 178.15 178.21 1s64 h GLY 328 N 1.06 0.80 1.10 0.00 0.00 -0.12 -1.96 103.07 103.96 1s64 h GLY 328 Ca 0.02 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1s64 h GLY 328 CO 0.05 0.52 0.28 1.41 0.00 0.00 0.00 176.54 178.80 1s64 h LEU 329 N 0.59 1.05 -1.37 3.11 4.07 -0.84 -2.77 115.31 119.15 1s64 h LEU 329 Ca 0.13 -0.17 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 1s64 h LEU 329 Cb 0.44 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.88 1s64 h LEU 329 CO 0.02 0.94 0.33 -1.28 -1.08 0.00 0.00 178.44 177.38 1s64 h SER 330 N 1.10 0.67 0.04 -0.43 0.87 -0.61 -1.70 113.55 113.49 1s64 h SER 330 Ca 0.25 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1s64 h SER 330 Cb 0.24 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1s64 h SER 330 CO -0.02 0.52 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.72 1s64 h LEU 331 N 0.77 0.00 -2.81 2.23 4.07 -1.06 0.12 115.31 118.64 1s64 h LEU 331 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1s64 h LEU 331 Cb -0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1s64 h LEU 331 CO -0.04 0.01 0.00 0.23 -1.08 0.00 0.00 178.44 177.57 1s64 n MET 332 N -3.87 2.86 -3.17 1.13 2.81 -0.66 -4.98 117.12 111.24 1s64 n MET 332 Ca -0.03 -2.66 -0.07 0.00 -1.81 0.00 0.00 57.70 53.13 1s64 n MET 332 Cb 0.10 -1.59 0.03 0.00 -0.71 0.00 0.00 33.22 31.04 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 1.53 -1.66 -2.58 0.03 1.02 0.43 -4.98 120.64 114.42 1s64 n GLU 333 Ca 0.24 1.22 -0.36 0.00 -0.02 0.00 0.00 57.16 58.23 1s64 n GLU 333 Cb 0.64 -5.66 -0.04 0.00 -0.02 0.00 0.00 31.44 26.36 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 -3.65 4.23 0.03 3.49 2.56 -1.08 -4.98 118.70 119.29 1s64 s GLU 334 Ca 0.18 1.48 -0.30 0.00 0.00 0.00 0.00 54.97 56.33 1s64 s GLU 334 Cb -0.03 -2.57 -0.06 0.00 2.00 0.00 0.00 34.13 33.47 1s64 s GLU 334 CO 0.75 -0.08 1.30 0.45 -0.56 0.00 0.00 175.26 177.13 1s64 s SER 335 N -1.58 6.95 0.00 -1.70 0.15 -1.26 -2.93 113.70 113.33 1s64 s SER 335 Ca 0.57 2.07 0.00 0.00 0.70 0.00 0.00 55.95 59.29 1s64 s SER 335 Cb -0.21 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1s64 s SER 335 CO 0.27 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1s64 n GLY 336 N 3.45 0.61 3.21 9.45 0.00 -1.26 -5.06 105.19 115.59 1s64 n GLY 336 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.44 1.98 0.74 -0.61 1.01 -1.15 -4.71 121.20 116.03 1s64 s ILE 337 Ca 0.00 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.53 1s64 s ILE 337 Cb 0.00 -1.71 0.04 0.00 0.01 0.00 0.00 42.46 40.80 1s64 s ILE 337 CO 0.00 0.54 1.14 0.00 0.00 0.00 0.00 174.94 176.63 1s64 s LYS 339 N -4.26 3.89 0.05 0.00 2.20 -1.26 -4.83 119.74 115.52 1s64 s LYS 339 Ca 0.68 1.85 0.02 0.00 -0.36 0.00 0.00 55.97 58.17 1s64 s LYS 339 Cb -0.23 -2.56 -0.04 0.00 -1.51 0.00 0.00 37.83 33.49 1s64 s LYS 339 CO 0.48 -0.46 0.05 0.54 -0.36 0.00 0.00 175.35 175.60 1s64 s VAL 340 N -1.45 4.42 -0.51 4.02 0.11 -1.26 -1.17 120.40 124.56 1s64 s VAL 340 Ca 0.60 -0.69 -0.21 0.00 -2.93 0.00 0.00 61.98 58.74 1s64 s VAL 340 Cb -0.31 -3.07 0.05 0.00 -1.53 0.00 0.00 36.38 31.51 1s64 s VAL 340 CO 0.38 0.22 0.75 -2.28 -3.33 0.00 0.00 175.10 170.84 1s64 s HIS 341 N -1.28 2.95 0.24 1.54 2.46 0.69 -4.74 115.29 117.17 1s64 s HIS 341 Ca 0.25 -0.24 -0.05 0.00 0.47 0.00 0.00 55.06 55.49 1s64 s HIS 341 Cb -0.12 -3.71 0.35 0.00 -0.13 0.00 0.00 32.58 28.96 1s64 s HIS 341 CO 0.17 -1.12 1.84 -1.00 -2.47 0.00 0.00 174.74 172.16 1s64 h PRO 342 N 9.09 0.88 -0.05 2.88 0.13 -1.93 -0.04 132.00 142.96 1s64 h PRO 342 Ca -0.27 -0.05 -0.22 0.00 -0.87 0.00 0.00 66.00 64.59 1s64 h PRO 342 Cb 1.09 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1s64 h PRO 342 CO 1.00 0.58 -0.86 0.00 -0.23 0.00 0.00 178.00 178.49 1s64 h ALA 343 N 1.41 0.39 0.00 -0.56 0.00 -1.92 -3.29 119.26 115.30 1s64 h ALA 343 Ca 0.38 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1s64 h ALA 343 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1s64 h ALA 343 CO -0.19 0.76 -0.70 1.25 0.00 0.00 0.00 179.25 180.36 1s64 h LEU 344 N 0.33 0.00 -0.93 0.00 5.85 -1.91 -3.47 115.31 115.18 1s64 h LEU 344 Ca -0.07 -0.16 -0.34 0.00 0.84 0.00 0.00 57.88 58.15 1s64 h LEU 344 Cb 1.48 0.00 0.12 0.00 0.37 0.00 0.00 40.66 42.63 1s64 h LEU 344 CO 0.16 0.08 -0.59 -3.20 -0.34 0.00 0.00 178.44 174.55 1s64 n ASN 345 N -2.27 -5.54 -4.18 1.25 5.15 -0.04 -5.02 115.26 104.61 1s64 n ASN 345 Ca 0.02 -0.47 -0.11 0.00 -0.60 0.00 0.00 54.58 53.42 1s64 n ASN 345 Cb 0.47 -4.41 -0.10 0.00 -0.53 0.00 0.00 39.78 35.21 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 -3.28 0.03 0.69 3.44 -7.23 -1.23 -4.98 120.40 107.84 1s64 s VAL 346 Ca 0.47 -1.97 -0.14 0.00 -1.81 0.00 0.00 61.98 58.53 1s64 s VAL 346 Cb -0.21 -2.36 0.01 0.00 0.56 0.00 0.00 36.38 34.39 1s64 s VAL 346 CO 0.63 -0.15 1.11 -0.94 -0.31 0.00 0.00 175.10 175.44 1s64 s SER 347 N -3.12 4.92 0.45 4.85 1.04 -1.26 -0.22 113.70 120.35 1s64 s SER 347 Ca 0.34 1.98 0.16 0.00 0.48 0.00 0.00 55.95 58.92 1s64 s SER 347 Cb 0.07 -2.55 1.04 0.00 0.10 0.00 0.00 66.02 64.68 1s64 s SER 347 CO 0.09 -1.76 1.99 0.71 0.98 0.00 0.00 173.24 175.24 1s64 h THR 348 N -0.24 1.06 -0.29 2.02 1.35 -1.43 -0.89 112.91 114.49 1s64 h THR 348 Ca -0.46 -0.69 0.04 0.00 -0.55 0.00 0.00 66.41 64.75 1s64 h THR 348 Cb 1.25 1.38 -0.03 0.00 -1.73 0.00 0.00 68.15 69.01 1s64 h THR 348 CO 0.53 0.19 0.08 -0.09 -0.25 0.00 0.00 175.52 175.98 1s64 h ARG 349 N 0.00 0.19 -0.54 4.72 2.43 -1.91 0.22 114.38 119.48 1s64 h ARG 349 Ca -0.00 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1s64 h ARG 349 Cb 0.36 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1s64 h ARG 349 CO 0.03 0.13 0.15 1.15 -1.51 0.00 0.00 179.97 179.91 1s64 h THR 350 N 0.20 1.24 -0.24 0.20 2.02 -1.62 -0.31 112.91 114.39 1s64 h THR 350 Ca 0.13 -0.84 -0.08 0.00 0.77 0.00 0.00 66.41 66.40 1s64 h THR 350 Cb 0.12 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1s64 h THR 350 CO -0.15 0.31 -0.18 0.77 0.37 0.00 0.00 175.52 176.64 1s64 h SER 351 N 0.76 0.41 -0.29 4.18 4.64 -0.75 -0.84 113.55 121.66 1s64 h SER 351 Ca 0.17 -0.11 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 1s64 h SER 351 Cb 0.31 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1s64 h SER 351 CO -0.00 0.61 -0.49 -0.33 -0.87 0.00 0.00 176.83 175.75 1s64 h GLU 352 N 0.39 0.87 -0.62 4.77 5.08 -0.30 -0.52 114.58 124.24 1s64 h GLU 352 Ca 0.07 -0.52 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 1s64 h GLU 352 Cb 0.54 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1s64 h GLU 352 CO 0.03 1.16 0.24 -0.09 -1.00 0.00 0.00 179.01 179.35 1s64 h ARG 353 N 0.68 0.91 -0.31 2.33 1.12 -0.65 -1.22 114.38 117.25 1s64 h ARG 353 Ca 0.03 -0.15 -0.12 0.00 -1.11 0.00 0.00 59.98 58.63 1s64 h ARG 353 Cb 1.09 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.88 1s64 h ARG 353 CO 0.11 0.75 -0.29 1.25 -3.11 0.00 0.00 179.97 178.69 1s64 h LEU 354 N 0.90 0.65 -0.92 3.80 5.85 -0.87 -1.04 115.31 123.68 1s64 h LEU 354 Ca 0.21 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1s64 h LEU 354 Cb 0.19 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1s64 h LEU 354 CO -0.02 0.91 0.35 -0.09 -0.34 0.00 0.00 178.44 179.25 1s64 h ARG 355 N 0.55 1.13 0.16 1.25 9.65 -0.31 -0.94 114.38 125.86 1s64 h ARG 355 Ca 0.07 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 1s64 h ARG 355 Cb 0.77 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 1s64 h ARG 355 CO 0.06 0.88 -0.08 -0.44 2.80 0.00 0.00 179.97 183.20 1s64 h ASP 356 N 1.11 -0.18 -0.99 -3.80 3.32 -0.77 -2.18 116.42 112.92 1s64 h ASP 356 Ca 0.26 -0.22 0.17 0.00 0.02 0.00 0.00 57.03 57.27 1s64 h ASP 356 Cb 0.15 0.05 -0.09 0.00 0.22 0.00 0.00 39.33 39.65 1s64 h ASP 356 CO -0.03 0.13 0.61 -0.07 -1.72 0.00 0.00 179.24 178.16 1s64 h LEU 357 N -0.51 0.77 -0.23 1.55 3.38 -0.98 -0.57 115.31 118.72 1s64 h LEU 357 Ca -0.02 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1s64 h LEU 357 Cb 0.39 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1s64 h LEU 357 CO 0.04 0.32 0.09 0.45 0.09 0.00 0.00 178.44 179.43 1s64 h HIS 358 N 0.78 0.36 -0.75 1.13 3.86 -0.98 -2.02 115.15 117.52 1s64 h HIS 358 Ca 0.54 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.68 1s64 h HIS 358 Cb 0.82 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.15 1s64 h HIS 358 CO -0.00 0.39 0.33 0.37 0.86 0.00 0.00 177.93 179.87 1s64 h GLN 359 N 0.22 1.10 -0.09 2.45 -0.00 -0.60 -2.13 115.11 116.06 1s64 h GLN 359 Ca 0.08 -0.18 -0.07 0.00 -0.00 0.00 0.00 58.65 58.48 1s64 h GLN 359 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.46 1s64 h GLN 359 CO -0.01 0.87 -0.29 0.66 0.00 0.00 0.00 178.83 180.07 1s64 h SER 360 N 1.08 0.16 0.71 -0.69 4.64 -0.99 -1.32 113.55 117.15 1s64 h SER 360 Ca 0.26 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 1s64 h SER 360 Cb 0.16 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1s64 h SER 360 CO -0.03 0.45 -0.23 -0.50 -0.87 0.00 0.00 176.83 175.65 1s64 h TRP 361 N 0.15 0.00 -0.91 4.77 6.55 -0.71 -3.37 115.95 122.43 1s64 h TRP 361 Ca 0.02 0.00 -0.52 0.00 0.95 0.00 0.00 58.89 59.35 1s64 h TRP 361 Cb 0.59 0.00 -0.08 0.00 -0.86 0.00 0.00 29.16 28.81 1s64 h TRP 361 CO 0.01 0.23 1.40 0.15 -1.05 0.00 0.00 178.44 179.18 1s64 s LYS 362 N -3.84 3.31 0.00 0.49 3.01 -0.50 -5.11 119.74 117.10 1s64 s LYS 362 Ca -0.01 -1.08 0.00 0.00 -1.01 0.00 0.00 55.97 53.87 1s64 s LYS 362 Cb 0.11 -5.31 0.00 0.00 -1.01 0.00 0.00 37.83 31.62 1s64 s LYS 362 CO 0.63 -2.66 0.00 0.25 0.51 0.00 0.00 175.35 174.08