#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ng0 s TRP 63 N 0.00 2.22 -0.05 -0.67 -2.14 -1.26 -4.82 118.94 112.23 1ng0 s TRP 63 Ca 0.00 -0.70 0.04 0.00 2.66 0.00 0.00 56.10 58.10 1ng0 s TRP 63 Cb 0.00 -1.93 -0.00 0.00 -3.10 0.00 0.00 33.47 28.43 1ng0 s TRP 63 CO 0.00 -0.06 -0.16 -0.06 -2.66 0.00 0.00 176.95 174.00 1ng0 s PHE 64 N -2.67 1.66 -0.25 1.66 0.40 0.11 -4.95 117.98 113.94 1ng0 s PHE 64 Ca 0.36 -0.49 -0.10 0.00 -0.60 0.00 0.00 56.93 56.09 1ng0 s PHE 64 Cb 0.01 -1.13 -0.05 0.00 0.51 0.00 0.00 43.02 42.36 1ng0 s PHE 64 CO 0.21 -0.18 0.16 0.34 0.70 0.00 0.00 175.22 176.45 1ng0 s ASP 65 N 0.11 5.98 0.26 1.36 -1.08 -1.26 -0.02 116.67 122.01 1ng0 s ASP 65 Ca -0.05 0.04 0.13 0.00 -0.52 0.00 0.00 52.55 52.15 1ng0 s ASP 65 Cb -0.12 -2.09 0.21 0.00 -1.46 0.00 0.00 42.92 39.46 1ng0 s ASP 65 CO 0.02 0.03 1.51 0.71 0.52 0.00 0.00 175.17 177.96 1ng0 h THR 66 N 5.17 1.23 0.00 1.71 1.35 -1.84 -3.50 112.91 117.03 1ng0 h THR 66 Ca -0.37 -2.36 0.00 0.00 -0.55 0.00 0.00 66.41 63.13 1ng0 h THR 66 Cb 1.18 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 1ng0 h THR 66 CO 0.62 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 177.12 1ng0 n GLY 67 N 0.80 -1.02 3.73 5.82 0.00 -1.26 -4.81 105.19 108.45 1ng0 n GLY 67 Ca 0.00 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 1ng0 n GLY 67 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ng0 s MET 68 N -1.13 4.41 -0.01 1.61 -1.94 -1.26 -4.22 119.30 116.76 1ng0 s MET 68 Ca 0.00 2.00 0.01 0.00 -1.71 0.00 0.00 55.69 55.99 1ng0 s MET 68 Cb 0.00 -3.22 0.00 0.00 2.01 0.00 0.00 34.83 33.62 1ng0 s MET 68 CO 0.00 -0.24 -0.04 0.42 -0.01 0.00 0.00 175.02 175.16 1ng0 s ILE 69 N 0.24 0.34 -0.15 2.53 1.01 0.15 -4.94 121.20 120.38 1ng0 s ILE 69 Ca 0.57 -0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.95 1ng0 s ILE 69 Cb -0.35 -0.31 -0.05 0.00 0.01 0.00 0.00 42.46 41.76 1ng0 s ILE 69 CO 0.36 0.12 0.25 -0.89 0.00 0.00 0.00 174.94 174.78 1ng0 s THR 70 N 0.15 5.33 0.03 2.92 2.01 -1.26 -1.67 115.64 123.14 1ng0 s THR 70 Ca -0.01 0.47 0.03 0.00 0.31 0.00 0.00 61.69 62.49 1ng0 s THR 70 Cb -0.05 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 1ng0 s THR 70 CO -0.00 0.44 -0.11 -0.44 -0.69 0.00 0.00 174.62 173.82 1ng0 s SER 71 N 0.16 1.24 -0.23 3.53 0.01 -0.06 -4.97 113.70 113.38 1ng0 s SER 71 Ca 0.15 -0.40 -0.27 0.00 1.31 0.00 0.00 55.95 56.75 1ng0 s SER 71 Cb -0.13 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1ng0 s SER 71 CO 0.03 -0.02 0.93 -0.47 0.41 0.00 0.00 173.24 174.13 1ng0 s TYR 72 N -0.82 3.34 0.01 2.43 5.04 -1.26 -0.90 117.35 125.18 1ng0 s TYR 72 Ca -0.01 1.31 0.11 0.00 -2.44 0.00 0.00 57.07 56.04 1ng0 s TYR 72 Cb -0.07 -3.15 -0.22 0.00 0.35 0.00 0.00 41.96 38.86 1ng0 s TYR 72 CO 0.01 -0.42 0.85 1.25 -1.34 0.00 0.00 175.55 175.90 1ng0 h LEU 73 N 9.22 0.00 0.00 6.97 5.85 -1.37 -3.46 115.31 132.53 1ng0 h LEU 73 Ca -0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1ng0 h LEU 73 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1ng0 h LEU 73 CO 0.92 1.00 0.00 0.61 -0.34 0.00 0.00 178.44 180.63 1ng0 n GLY 74 N 1.49 2.90 3.92 3.75 0.00 -1.16 -4.99 105.19 111.09 1ng0 n GLY 74 Ca -0.12 -1.71 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 1ng0 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ng0 s GLY 75 N 0.00 1.58 -0.49 -0.02 0.00 -1.26 -0.67 107.32 106.45 1ng0 s GLY 75 Ca 0.00 -0.72 -0.19 0.00 0.00 0.00 0.00 44.72 43.81 1ng0 s GLY 75 CO 0.00 -0.48 0.63 -0.12 0.00 0.00 0.00 173.10 173.12 1ng0 s PHE 76 N -2.86 3.05 -0.04 1.90 5.36 0.42 -4.78 117.98 121.03 1ng0 s PHE 76 Ca 0.51 -0.45 -0.13 0.00 -0.96 0.00 0.00 56.93 55.90 1ng0 s PHE 76 Cb -0.10 -3.49 -0.05 0.00 -0.34 0.00 0.00 43.02 39.03 1ng0 s PHE 76 CO 0.44 -1.00 0.34 -0.65 -1.46 0.00 0.00 175.22 172.88 1ng0 s GLN 77 N 2.66 3.83 -0.18 10.12 -1.52 -1.26 -3.30 119.66 130.00 1ng0 s GLN 77 Ca 0.16 0.26 0.00 0.00 -1.95 0.00 0.00 55.36 53.83 1ng0 s GLN 77 Cb -0.18 -3.23 0.04 0.00 -0.22 0.00 0.00 33.01 29.42 1ng0 s GLN 77 CO 0.13 0.67 -0.09 1.03 -0.25 0.00 0.00 175.29 176.78 1ng0 s ARG 78 N -0.93 1.86 0.06 2.91 0.52 0.34 -4.80 118.95 118.91 1ng0 s ARG 78 Ca 0.21 -0.72 -0.13 0.00 -0.52 0.00 0.00 55.73 54.57 1ng0 s ARG 78 Cb -0.15 -2.26 -0.06 0.00 0.52 0.00 0.00 34.95 32.99 1ng0 s ARG 78 CO 0.10 -0.41 0.44 0.95 0.02 0.00 0.00 175.30 176.40 1ng0 s THR 79 N 1.48 5.00 0.60 0.02 -4.23 -1.26 -1.37 115.64 115.87 1ng0 s THR 79 Ca -0.00 0.74 -0.19 0.00 -1.18 0.00 0.00 61.69 61.06 1ng0 s THR 79 Cb -0.16 -3.71 -0.03 0.00 1.34 0.00 0.00 72.50 69.94 1ng0 s THR 79 CO -0.08 0.42 1.23 0.00 -0.54 0.00 0.00 174.62 175.65 1ng0 s ALA 80 N -1.25 2.53 0.00 3.99 0.00 -1.26 -3.38 121.76 122.39 1ng0 s ALA 80 Ca 0.30 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1ng0 s ALA 80 Cb -0.16 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1ng0 s ALA 80 CO 0.16 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1ng0 n GLY 81 N 0.59 1.79 3.10 0.00 0.00 -0.15 -4.91 105.19 105.61 1ng0 n GLY 81 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 1ng0 n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ng0 s THR 82 N -0.53 0.83 -0.14 2.61 -4.23 -1.22 -4.88 115.64 108.08 1ng0 s THR 82 Ca 0.00 -1.05 -0.29 0.00 -1.18 0.00 0.00 61.69 59.17 1ng0 s THR 82 Cb 0.00 -0.81 -0.02 0.00 1.34 0.00 0.00 72.50 73.01 1ng0 s THR 82 CO 0.00 -0.20 1.28 0.42 -0.54 0.00 0.00 174.62 175.58 1ng0 s THR 83 N -1.11 4.22 0.90 3.99 -4.23 -1.26 -4.42 115.64 113.73 1ng0 s THR 83 Ca -0.04 1.49 -0.13 0.00 -1.18 0.00 0.00 61.69 61.83 1ng0 s THR 83 Cb -0.09 -3.96 0.05 0.00 1.34 0.00 0.00 72.50 69.85 1ng0 s THR 83 CO 0.01 -0.11 0.63 -0.67 -0.54 0.00 0.00 174.62 173.94 1ng0 n ASP 84 N 6.40 -1.25 -2.83 3.99 2.03 -1.26 -4.82 116.55 118.80 1ng0 n ASP 84 Ca 0.14 0.40 -0.01 0.00 0.52 0.00 0.00 54.79 55.83 1ng0 n ASP 84 Cb 0.45 -1.29 0.01 0.00 -0.72 0.00 0.00 41.12 39.57 1ng0 n ASP 84 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ng0 s SER 85 N -2.07 -0.89 0.03 1.67 1.04 -1.25 -3.10 113.70 109.13 1ng0 s SER 85 Ca 0.61 -0.78 -0.18 0.00 0.48 0.00 0.00 55.95 56.08 1ng0 s SER 85 Cb -0.24 1.15 -0.06 0.00 0.10 0.00 0.00 66.02 66.97 1ng0 s SER 85 CO 0.63 -0.06 0.53 -1.10 0.98 0.00 0.00 173.24 174.22 1ng0 s GLN 86 N 1.36 4.16 -0.11 4.02 -0.21 -0.43 -4.93 119.66 123.53 1ng0 s GLN 86 Ca 0.22 0.63 0.02 0.00 0.02 0.00 0.00 55.36 56.25 1ng0 s GLN 86 Cb 0.03 -3.27 0.01 0.00 1.00 0.00 0.00 33.01 30.79 1ng0 s GLN 86 CO -0.09 0.57 -0.18 0.08 -2.12 0.00 0.00 175.29 173.55 1ng0 s VAL 87 N -0.81 1.68 -0.13 1.09 1.01 -1.26 -1.21 120.40 120.77 1ng0 s VAL 87 Ca 0.28 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1ng0 s VAL 87 Cb -0.18 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1ng0 s VAL 87 CO 0.17 0.48 -0.15 -0.36 0.00 0.00 0.00 175.10 175.24 1ng0 s PHE 88 N 0.85 2.78 0.17 5.22 0.40 0.50 -4.96 117.98 122.93 1ng0 s PHE 88 Ca -0.09 -0.79 -0.30 0.00 -0.60 0.00 0.00 56.93 55.16 1ng0 s PHE 88 Cb -0.15 -1.84 -0.07 0.00 0.51 0.00 0.00 43.02 41.46 1ng0 s PHE 88 CO -0.00 -0.30 0.97 0.42 0.70 0.00 0.00 175.22 177.01 1ng0 s ILE 89 N 0.47 4.26 -0.78 0.64 1.01 -1.26 -0.13 121.20 125.40 1ng0 s ILE 89 Ca -0.10 2.02 -0.26 0.00 0.00 0.00 0.00 60.65 62.31 1ng0 s ILE 89 Cb -0.16 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 38.03 1ng0 s ILE 89 CO 0.05 0.38 1.55 -0.69 0.00 0.00 0.00 174.94 176.23 1ng0 s VAL 90 N -0.47 3.63 -0.05 2.92 1.01 -0.46 -4.89 120.40 122.08 1ng0 s VAL 90 Ca 0.45 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 62.14 1ng0 s VAL 90 Cb -0.25 -4.58 0.07 0.00 0.00 0.00 0.00 36.38 31.62 1ng0 s VAL 90 CO 0.31 -1.51 0.68 -0.55 0.00 0.00 0.00 175.10 174.03 1ng0 s SER 91 N 5.67 -0.66 0.40 3.32 0.15 -1.26 -4.32 113.70 117.00 1ng0 s SER 91 Ca 0.50 0.72 0.22 0.00 0.70 0.00 0.00 55.95 58.09 1ng0 s SER 91 Cb -0.07 0.55 0.49 0.00 -1.71 0.00 0.00 66.02 65.27 1ng0 s SER 91 CO 0.09 -0.61 1.64 -0.65 1.20 0.00 0.00 173.24 174.92 1ng0 h PRO 92 N 3.01 0.00 -0.38 5.44 0.11 -1.93 -3.40 132.00 134.85 1ng0 h PRO 92 Ca -0.27 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.88 1ng0 h PRO 92 Cb 1.14 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 1ng0 h PRO 92 CO 0.39 0.21 -0.21 0.00 -0.21 0.00 0.00 178.00 178.18 1ng0 n ALA 93 N -2.17 -0.21 1.50 -0.75 0.00 -1.26 -0.28 120.51 117.35 1ng0 n ALA 93 Ca 0.02 0.33 0.15 0.00 0.00 0.00 0.00 53.44 53.94 1ng0 n ALA 93 Cb 0.55 -0.07 0.71 0.00 0.00 0.00 0.00 19.45 20.64 1ng0 n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ng0 n ALA 94 N -3.73 2.65 -2.22 0.00 0.00 -1.26 -4.55 120.51 111.39 1ng0 n ALA 94 Ca 0.01 -0.22 -0.41 0.00 0.00 0.00 0.00 53.44 52.82 1ng0 n ALA 94 Cb 0.11 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 1ng0 n ALA 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ng0 s LEU 95 N -2.42 4.43 0.13 0.00 1.43 0.62 -4.91 118.68 117.96 1ng0 s LEU 95 Ca 0.32 2.07 -0.33 0.00 -1.03 0.00 0.00 54.13 55.16 1ng0 s LEU 95 Cb 0.20 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.73 1ng0 s LEU 95 CO 0.45 -0.34 1.55 -0.78 0.23 0.00 0.00 176.35 177.46 1ng0 h ASP 96 N 5.84 -1.89 0.00 2.29 -0.00 -1.88 0.15 116.42 120.92 1ng0 h ASP 96 Ca -0.43 0.25 -0.21 0.00 -0.00 0.00 0.00 57.03 56.64 1ng0 h ASP 96 Cb 1.21 0.78 -0.03 0.00 -0.00 0.00 0.00 39.33 41.30 1ng0 h ASP 96 CO 0.76 -0.39 -1.27 0.54 -0.00 0.00 0.00 179.24 178.88 1ng0 n ARG 97 N -5.36 0.55 -0.23 0.28 1.74 -1.26 -3.88 116.66 108.49 1ng0 n ARG 97 Ca -0.03 0.52 -0.01 0.00 -0.77 0.00 0.00 57.85 57.56 1ng0 n ARG 97 Cb 0.33 -1.70 0.10 0.00 -1.02 0.00 0.00 32.46 30.18 1ng0 n ARG 97 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ng0 h VAL 98 N -1.00 0.95 -0.80 1.55 2.07 -1.89 -1.15 116.25 115.98 1ng0 h VAL 98 Ca -0.32 -0.23 0.10 0.00 0.82 0.00 0.00 66.70 67.07 1ng0 h VAL 98 Cb 1.19 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 1ng0 h VAL 98 CO -0.19 0.12 0.44 1.23 0.02 0.00 0.00 177.57 179.19 1ng0 h GLY 99 N 0.66 1.23 0.70 2.17 0.00 -0.60 0.21 103.07 107.44 1ng0 h GLY 99 Ca 0.30 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1ng0 h GLY 99 CO -0.20 0.10 -0.03 -0.84 0.00 0.00 0.00 176.54 175.57 1ng0 h THR 100 N 0.73 1.12 -0.18 4.70 2.02 -1.40 -2.63 112.91 117.28 1ng0 h THR 100 Ca 0.39 -0.68 0.02 0.00 0.77 0.00 0.00 66.41 66.91 1ng0 h THR 100 Cb 0.38 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1ng0 h THR 100 CO -0.26 0.17 0.03 0.40 0.37 0.00 0.00 175.52 176.23 1ng0 h ILE 101 N -0.40 0.92 -0.27 3.11 2.04 -0.87 -2.33 117.51 119.70 1ng0 h ILE 101 Ca -0.01 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1ng0 h ILE 101 Cb 0.35 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1ng0 h ILE 101 CO 0.02 0.02 0.22 0.00 0.00 0.00 0.00 178.15 178.41 1ng0 h ALA 102 N 1.13 2.12 0.00 1.87 0.00 -0.59 -2.33 119.26 121.47 1ng0 h ALA 102 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ng0 h ALA 102 Cb 0.08 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ng0 h ALA 102 CO -0.11 -0.36 -0.01 -0.22 0.00 0.00 0.00 179.25 178.55 1ng0 h LYS 103 N 0.00 0.00 -0.16 0.00 3.64 -1.02 -0.46 116.57 118.56 1ng0 h LYS 103 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1ng0 h LYS 103 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1ng0 h LYS 103 CO -0.00 0.01 0.00 0.00 -2.27 0.00 0.00 179.45 177.19 1ng0 n ALA 104 N -2.20 2.52 -2.48 5.00 0.00 -0.88 -3.90 120.51 118.57 1ng0 n ALA 104 Ca -0.03 -0.41 -0.20 0.00 0.00 0.00 0.00 53.44 52.80 1ng0 n ALA 104 Cb 0.09 -1.10 -0.11 0.00 0.00 0.00 0.00 19.45 18.33 1ng0 n ALA 104 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ng0 s TYR 105 N -1.80 1.64 -0.12 0.00 1.51 -0.18 -3.28 117.35 115.13 1ng0 s TYR 105 Ca 0.26 -0.50 0.09 0.00 -1.01 0.00 0.00 57.07 55.91 1ng0 s TYR 105 Cb 0.13 -0.84 -0.24 0.00 -0.11 0.00 0.00 41.96 40.91 1ng0 s TYR 105 CO 0.20 0.24 0.38 0.00 -1.11 0.00 0.00 175.55 175.26 1ng0 n ALA 106 N 0.48 1.37 -2.46 3.71 0.00 0.20 -4.79 120.51 119.03 1ng0 n ALA 106 Ca -0.15 -0.89 -0.24 0.00 0.00 0.00 0.00 53.44 52.16 1ng0 n ALA 106 Cb 0.57 -0.59 -0.10 0.00 0.00 0.00 0.00 19.45 19.32 1ng0 n ALA 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ng0 s LEU 107 N -6.19 2.57 0.13 0.00 1.43 0.11 -1.24 118.68 115.50 1ng0 s LEU 107 Ca -0.12 -1.01 -0.17 0.00 -1.03 0.00 0.00 54.13 51.80 1ng0 s LEU 107 Cb 0.07 -1.08 0.04 0.00 0.03 0.00 0.00 46.19 45.26 1ng0 s LEU 107 CO 0.79 0.03 0.42 -1.66 0.23 0.00 0.00 176.35 176.17 1ng0 s TRP 108 N -2.45 -0.24 -0.11 0.29 1.48 0.12 -1.53 118.94 116.51 1ng0 s TRP 108 Ca 0.28 -0.07 -0.06 0.00 -1.06 0.00 0.00 56.10 55.20 1ng0 s TRP 108 Cb -0.05 0.29 0.05 0.00 -1.16 0.00 0.00 33.47 32.60 1ng0 s TRP 108 CO 0.14 -0.72 0.26 0.50 -4.06 0.00 0.00 176.95 173.07 1ng0 s ARG 109 N -3.80 0.23 -0.09 3.25 3.52 -0.39 -0.63 118.95 121.04 1ng0 s ARG 109 Ca 0.03 0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 55.87 1ng0 s ARG 109 Cb 0.02 -0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.29 1ng0 s ARG 109 CO -0.12 -0.15 1.02 -2.14 -0.81 0.00 0.00 175.30 173.09 1ng0 s PRO 110 N 1.20 4.44 -0.20 5.12 0.02 -1.26 -0.81 135.00 143.51 1ng0 s PRO 110 Ca -0.09 1.41 0.08 0.00 0.02 0.00 0.00 61.00 62.43 1ng0 s PRO 110 Cb -0.10 -3.53 -0.18 0.00 0.02 0.00 0.00 34.50 30.71 1ng0 s PRO 110 CO -0.08 -0.29 -0.07 1.63 -0.33 0.00 0.00 177.00 177.85 1ng0 n LYS 111 N 4.87 0.84 -3.72 5.54 4.76 0.63 -4.84 118.16 126.24 1ng0 n LYS 111 Ca 0.09 0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.47 1ng0 n LYS 111 Cb 0.49 -1.45 -0.13 0.00 -1.84 0.00 0.00 35.03 32.10 1ng0 n LYS 111 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1ng0 s HIS 112 N -2.44 -0.38 -0.34 2.13 2.46 -0.68 -4.67 115.29 111.37 1ng0 s HIS 112 Ca -0.20 0.89 0.01 0.00 0.47 0.00 0.00 55.06 56.23 1ng0 s HIS 112 Cb 0.07 0.07 0.14 0.00 -0.13 0.00 0.00 32.58 32.73 1ng0 s HIS 112 CO 0.61 -0.26 0.29 -0.46 -2.47 0.00 0.00 174.74 172.45 1ng0 s TRP 113 N 1.41 -0.02 -0.06 3.88 -0.11 -1.26 -0.59 118.94 122.20 1ng0 s TRP 113 Ca -0.08 -0.88 0.03 0.00 1.22 0.00 0.00 56.10 56.39 1ng0 s TRP 113 Cb -0.10 -0.60 0.01 0.00 -1.50 0.00 0.00 33.47 31.28 1ng0 s TRP 113 CO -0.09 -0.91 -0.13 -2.00 -4.62 0.00 0.00 176.95 169.20 1ng0 s GLU 114 N 1.63 1.66 -0.19 5.86 2.12 -0.47 -0.94 118.70 128.37 1ng0 s GLU 114 Ca 0.15 -0.44 -0.10 0.00 0.36 0.00 0.00 54.97 54.93 1ng0 s GLU 114 Cb -0.17 -1.39 -0.05 0.00 0.26 0.00 0.00 34.13 32.78 1ng0 s GLU 114 CO -0.13 0.08 0.13 0.42 -0.54 0.00 0.00 175.26 175.22 1ng0 s ILE 115 N 0.50 5.41 -0.10 -3.70 1.09 -0.34 -0.65 121.20 123.42 1ng0 s ILE 115 Ca -0.12 0.19 0.04 0.00 -1.10 0.00 0.00 60.65 59.66 1ng0 s ILE 115 Cb -0.14 -3.46 -0.00 0.00 -1.06 0.00 0.00 42.46 37.80 1ng0 s ILE 115 CO 0.03 0.45 -0.24 0.54 -0.10 0.00 0.00 174.94 175.63 1ng0 s VAL 116 N 0.25 2.08 -0.10 2.92 0.11 0.73 -1.20 120.40 125.18 1ng0 s VAL 116 Ca 0.08 -1.02 -0.16 0.00 -2.93 0.00 0.00 61.98 57.96 1ng0 s VAL 116 Cb -0.11 -1.79 -0.05 0.00 -1.53 0.00 0.00 36.38 32.90 1ng0 s VAL 116 CO -0.01 0.56 0.40 -0.47 -3.33 0.00 0.00 175.10 172.24 1ng0 s TYR 117 N 0.30 3.55 -0.12 1.54 5.04 -0.31 -1.07 117.35 126.28 1ng0 s TYR 117 Ca -0.18 0.82 0.02 0.00 -2.44 0.00 0.00 57.07 55.29 1ng0 s TYR 117 Cb -0.18 -2.41 0.01 0.00 0.35 0.00 0.00 41.96 39.73 1ng0 s TYR 117 CO 0.09 0.31 -0.17 -0.51 -1.34 0.00 0.00 175.55 173.93 1ng0 s LEU 118 N 0.15 1.81 0.80 6.97 1.43 -0.59 -4.53 118.68 124.73 1ng0 s LEU 118 Ca 0.22 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 1ng0 s LEU 118 Cb -0.15 -1.19 0.07 0.00 0.03 0.00 0.00 46.19 44.96 1ng0 s LEU 118 CO 0.09 0.02 1.09 -2.16 0.23 0.00 0.00 176.35 175.62 1ng0 s PRO 119 N 1.01 2.02 0.00 1.29 0.04 -1.25 -0.34 135.00 137.77 1ng0 s PRO 119 Ca -0.05 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1ng0 s PRO 119 Cb -0.15 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1ng0 s PRO 119 CO -0.03 -1.73 0.60 2.89 0.04 0.00 0.00 177.00 178.77 1ng0 n ARG 120 N -3.55 0.00 -4.17 4.56 1.85 0.21 -4.78 116.66 110.78 1ng0 n ARG 120 Ca 0.08 -0.45 -0.27 0.00 -1.00 0.00 0.00 57.85 56.21 1ng0 n ARG 120 Cb 0.55 -0.27 -0.05 0.00 -1.05 0.00 0.00 32.46 31.63 1ng0 n ARG 120 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ng0 s SER 122 N -4.03 6.97 0.00 0.00 0.15 -1.26 -4.89 113.70 110.64 1ng0 s SER 122 Ca 0.32 1.74 0.06 0.00 0.70 0.00 0.00 55.95 58.76 1ng0 s SER 122 Cb 0.01 -2.55 0.27 0.00 -1.71 0.00 0.00 66.02 62.05 1ng0 s SER 122 CO 0.18 -0.34 1.07 0.35 1.20 0.00 0.00 173.24 175.70 1ng0 n THR 123 N -0.44 1.13 0.13 6.45 -2.24 -1.26 -1.14 114.28 116.90 1ng0 n THR 123 Ca 0.06 0.28 0.09 0.00 -2.27 0.00 0.00 64.05 62.21 1ng0 n THR 123 Cb 0.53 -1.19 0.04 0.00 -2.10 0.00 0.00 70.33 67.62 1ng0 n THR 123 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1ng0 h GLN 124 N 0.00 0.00 -6.66 -0.78 1.08 -2.02 -3.47 115.11 103.26 1ng0 h GLN 124 Ca 0.00 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.62 1ng0 h GLN 124 Cb 0.07 0.00 0.11 0.00 -0.05 0.00 0.00 27.48 27.60 1ng0 h GLN 124 CO 0.00 0.10 0.43 2.41 -0.95 0.00 0.00 178.83 180.81 1ng0 n THR 125 N -2.90 1.90 -3.23 -0.54 -1.04 -0.29 -4.99 114.28 103.18 1ng0 n THR 125 Ca 0.00 -0.47 -0.21 0.00 -2.04 0.00 0.00 64.05 61.33 1ng0 n THR 125 Cb 0.60 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 1ng0 n THR 125 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1ng0 s ASP 126 N -0.31 5.89 0.00 8.00 1.01 -1.26 -4.84 116.67 125.16 1ng0 s ASP 126 Ca 0.57 0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.86 1ng0 s ASP 126 Cb -0.61 -1.36 0.00 0.00 1.01 0.00 0.00 42.92 41.96 1ng0 s ASP 126 CO 0.61 -0.57 0.00 0.61 0.21 0.00 0.00 175.17 176.02 1ng0 n GLY 127 N -1.86 -0.44 3.41 0.21 0.00 -1.26 -4.77 105.19 100.49 1ng0 n GLY 127 Ca 0.01 -1.71 -0.20 0.00 0.00 0.00 0.00 46.02 44.11 1ng0 n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ng0 s SER 128 N -2.59 1.99 0.12 1.61 0.01 -1.26 -1.06 113.70 112.51 1ng0 s SER 128 Ca 0.00 -1.41 0.09 0.00 1.31 0.00 0.00 55.95 55.93 1ng0 s SER 128 Cb 0.00 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.26 1ng0 s SER 128 CO 0.00 -0.69 -0.17 -0.51 0.41 0.00 0.00 173.24 172.28 1ng0 s ILE 129 N -3.45 2.92 -0.03 1.44 2.07 -0.12 -3.03 121.20 121.01 1ng0 s ILE 129 Ca 0.36 -1.47 0.03 0.00 -1.41 0.00 0.00 60.65 58.16 1ng0 s ILE 129 Cb 0.08 -2.34 -0.00 0.00 0.13 0.00 0.00 42.46 40.32 1ng0 s ILE 129 CO 0.15 0.10 -0.11 -1.61 -1.91 0.00 0.00 174.94 171.56 1ng0 s GLU 130 N -2.15 1.13 0.07 3.50 2.02 -0.21 -2.09 118.70 120.97 1ng0 s GLU 130 Ca 0.18 -0.39 0.03 0.00 0.02 0.00 0.00 54.97 54.81 1ng0 s GLU 130 Cb -0.11 -1.04 -0.03 0.00 0.10 0.00 0.00 34.13 33.05 1ng0 s GLU 130 CO 0.11 0.17 -0.09 -1.64 0.02 0.00 0.00 175.26 173.83 1ng0 s MET 131 N 0.05 0.69 -0.07 1.61 -1.94 0.32 -0.55 119.30 119.42 1ng0 s MET 131 Ca -0.01 -0.98 -0.31 0.00 -1.71 0.00 0.00 55.69 52.67 1ng0 s MET 131 Cb -0.08 -0.39 0.13 0.00 2.01 0.00 0.00 34.83 36.49 1ng0 s MET 131 CO 0.01 0.06 1.37 0.20 -0.01 0.00 0.00 175.02 176.64 1ng0 s GLY 132 N -2.08 -0.37 0.16 -0.03 0.00 -0.82 -1.26 107.32 102.92 1ng0 s GLY 132 Ca -0.01 0.61 0.11 0.00 0.00 0.00 0.00 44.72 45.43 1ng0 s GLY 132 CO -0.00 2.28 -0.25 -1.36 0.00 0.00 0.00 173.10 173.77 1ng0 s PHE 133 N -2.11 2.33 -0.16 1.90 0.08 0.16 -0.49 117.98 119.68 1ng0 s PHE 133 Ca 0.20 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 56.91 1ng0 s PHE 133 Cb 0.04 -1.20 0.02 0.00 -0.57 0.00 0.00 43.02 41.31 1ng0 s PHE 133 CO -0.04 0.43 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.79 1ng0 s LEU 134 N -2.39 2.11 0.00 -0.37 1.43 0.12 -2.68 118.68 116.88 1ng0 s LEU 134 Ca 0.18 -0.63 0.25 0.00 -1.03 0.00 0.00 54.13 52.90 1ng0 s LEU 134 Cb -0.09 -1.46 0.50 0.00 0.03 0.00 0.00 46.19 45.18 1ng0 s LEU 134 CO 0.08 0.03 1.41 0.18 0.23 0.00 0.00 176.35 178.28 1ng0 n LEU 135 N 4.42 0.76 -4.02 1.79 4.77 -1.26 -1.33 117.00 122.12 1ng0 n LEU 135 Ca -0.21 -0.15 -0.30 0.00 -0.03 0.00 0.00 56.01 55.32 1ng0 n LEU 135 Cb 0.51 -0.18 -0.16 0.00 -2.33 0.00 0.00 43.42 41.25 1ng0 n LEU 135 CO 0.26 0.16 -0.49 -0.62 -1.33 0.00 0.00 177.39 175.38 1ng0 s ASP 136 N -2.83 2.70 0.63 -1.43 2.15 -1.26 -4.83 116.67 111.81 1ng0 s ASP 136 Ca 0.15 -0.50 0.36 0.00 0.43 0.00 0.00 52.55 52.99 1ng0 s ASP 136 Cb 0.18 -1.19 2.01 0.00 -0.30 0.00 0.00 42.92 43.63 1ng0 s ASP 136 CO 0.65 -0.06 2.22 0.22 -0.17 0.00 0.00 175.17 178.04 1ng0 h TYR 137 N 8.05 0.00 0.00 -5.34 3.20 -1.86 -0.80 116.97 120.22 1ng0 h TYR 137 Ca -0.38 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.36 1ng0 h TYR 137 Cb 1.13 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 1ng0 h TYR 137 CO 0.47 0.00 -0.62 0.00 -1.64 0.00 0.00 178.16 176.37 1ng0 h ALA 138 N 1.85 0.69 -2.98 1.82 0.00 -1.95 -3.46 119.26 115.23 1ng0 h ALA 138 Ca 0.02 -0.57 -0.54 0.00 0.00 0.00 0.00 54.91 53.82 1ng0 h ALA 138 Cb 0.21 -0.10 0.12 0.00 0.00 0.00 0.00 17.79 18.02 1ng0 h ALA 138 CO -0.00 0.78 0.69 -0.51 0.00 0.00 0.00 179.25 180.21 1ng0 s ASP 139 N -6.56 5.83 0.55 0.00 1.01 -0.31 -4.97 116.67 112.22 1ng0 s ASP 139 Ca 0.02 2.90 -0.13 0.00 0.71 0.00 0.00 52.55 56.05 1ng0 s ASP 139 Cb 0.09 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.32 1ng0 s ASP 139 CO 0.75 -1.20 0.97 -0.94 0.21 0.00 0.00 175.17 174.96 1ng0 s SER 140 N -0.56 6.42 0.04 0.27 1.04 -1.26 -4.98 113.70 114.67 1ng0 s SER 140 Ca 0.62 1.42 -0.30 0.00 0.48 0.00 0.00 55.95 58.17 1ng0 s SER 140 Cb -0.43 -2.46 -0.04 0.00 0.10 0.00 0.00 66.02 63.19 1ng0 s SER 140 CO 0.55 -0.69 0.96 -0.69 0.98 0.00 0.00 173.24 174.36 1ng0 s VAL 141 N -2.84 4.73 0.24 5.02 1.01 -1.26 -4.99 120.40 122.31 1ng0 s VAL 141 Ca 0.56 2.05 -0.31 0.00 0.00 0.00 0.00 61.98 64.27 1ng0 s VAL 141 Cb -0.10 -4.31 -0.14 0.00 0.00 0.00 0.00 36.38 31.83 1ng0 s VAL 141 CO 0.42 0.22 1.35 -2.65 0.00 0.00 0.00 175.10 174.44 1ng0 n PRO 142 N 3.46 1.89 -0.00 2.72 -0.02 -1.26 -4.93 135.00 136.86 1ng0 n PRO 142 Ca 0.04 0.67 0.07 0.00 -2.02 0.00 0.00 63.50 62.27 1ng0 n PRO 142 Cb 0.50 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 1ng0 n PRO 142 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ng0 n THR 143 N 1.67 0.00 -4.32 3.45 -2.24 -1.26 -4.93 114.28 106.65 1ng0 n THR 143 Ca 0.11 -0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.47 1ng0 n THR 143 Cb 0.31 0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 69.04 1ng0 n THR 143 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ng0 s ASN 144 N -3.01 1.37 0.05 3.42 2.20 -1.26 -5.07 114.94 112.63 1ng0 s ASN 144 Ca 0.00 -1.52 -0.20 0.00 -0.94 0.00 0.00 52.86 50.20 1ng0 s ASN 144 Cb 0.10 0.35 -0.13 0.00 -2.00 0.00 0.00 41.25 39.57 1ng0 s ASN 144 CO 0.60 -0.86 1.39 0.74 -2.94 0.00 0.00 177.10 176.03 1ng0 h THR 145 N 2.27 1.32 -1.00 0.54 2.02 -1.94 -1.83 112.91 114.29 1ng0 h THR 145 Ca -0.34 -1.19 0.14 0.00 0.77 0.00 0.00 66.41 65.79 1ng0 h THR 145 Cb 1.25 1.75 -0.09 0.00 -1.74 0.00 0.00 68.15 69.32 1ng0 h THR 145 CO 0.53 0.35 0.62 -0.09 0.37 0.00 0.00 175.52 177.31 1ng0 h ARG 146 N 0.02 0.90 -0.27 6.66 2.43 -1.98 0.26 114.38 122.41 1ng0 h ARG 146 Ca 0.03 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 1ng0 h ARG 146 Cb 0.60 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1ng0 h ARG 146 CO 0.03 0.59 -0.28 1.15 -1.51 0.00 0.00 179.97 179.95 1ng0 h THR 147 N 0.93 1.31 -0.53 0.20 2.02 -1.98 -3.05 112.91 111.81 1ng0 h THR 147 Ca 0.52 -1.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 1ng0 h THR 147 Cb 0.60 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 1ng0 h THR 147 CO -0.30 0.46 0.24 -0.03 0.37 0.00 0.00 175.52 176.26 1ng0 h MET 148 N 0.38 0.74 0.00 6.66 1.85 -0.31 -2.32 114.93 121.94 1ng0 h MET 148 Ca 0.04 -0.10 0.00 0.00 -0.61 0.00 0.00 59.70 59.04 1ng0 h MET 148 Cb 0.85 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 32.73 1ng0 h MET 148 CO 0.07 0.59 0.00 0.00 -0.40 0.00 0.00 176.91 177.17 1ng0 n ALA 149 N -2.46 1.76 0.38 0.39 0.00 0.78 -1.68 120.51 119.70 1ng0 n ALA 149 Ca 0.04 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1ng0 n ALA 149 Cb 0.14 -1.17 0.10 0.00 0.00 0.00 0.00 19.45 18.51 1ng0 n ALA 149 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ng0 n SER 150 N -1.16 2.54 -4.90 0.00 7.64 -0.87 -4.91 113.62 111.94 1ng0 n SER 150 Ca 0.06 -1.73 -0.29 0.00 1.01 0.00 0.00 58.87 57.93 1ng0 n SER 150 Cb 0.06 -0.09 0.07 0.00 -1.01 0.00 0.00 64.21 63.25 1ng0 n SER 150 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ng0 s SER 151 N -1.18 4.88 0.08 6.43 1.04 -0.67 -5.00 113.70 119.27 1ng0 s SER 151 Ca 0.21 0.81 -0.31 0.00 0.48 0.00 0.00 55.95 57.15 1ng0 s SER 151 Cb 0.14 -1.45 -0.07 0.00 0.10 0.00 0.00 66.02 64.74 1ng0 s SER 151 CO 0.20 -1.65 1.32 -0.89 0.98 0.00 0.00 173.24 173.20 1ng0 s THR 152 N -3.43 3.60 -1.26 2.02 2.01 -1.09 -3.25 115.64 114.24 1ng0 s THR 152 Ca 0.60 1.13 -0.08 0.00 0.31 0.00 0.00 61.69 63.66 1ng0 s THR 152 Cb -0.11 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.68 1ng0 s THR 152 CO 0.49 0.08 1.02 -1.20 -0.69 0.00 0.00 174.62 174.32 1ng0 n SER 153 N 4.10 -5.99 -4.77 3.53 7.64 -1.26 -0.66 113.62 116.21 1ng0 n SER 153 Ca 0.11 -0.47 -0.41 0.00 1.01 0.00 0.00 58.87 59.11 1ng0 n SER 153 Cb 0.44 -4.63 -0.00 0.00 -1.01 0.00 0.00 64.21 59.00 1ng0 n SER 153 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1ng0 n PHE 154 N -4.75 2.96 -3.78 1.43 7.35 -1.20 -4.41 117.46 115.06 1ng0 n PHE 154 Ca -0.00 0.40 -0.13 0.00 -0.76 0.00 0.00 57.45 56.96 1ng0 n PHE 154 Cb 0.56 -2.55 -0.11 0.00 0.35 0.00 0.00 39.48 37.73 1ng0 n PHE 154 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1ng0 s THR 155 N -0.87 0.01 -0.09 -2.13 2.01 -0.39 -4.98 115.64 109.20 1ng0 s THR 155 Ca 0.56 -0.07 -0.12 0.00 0.31 0.00 0.00 61.69 62.37 1ng0 s THR 155 Cb -0.48 -0.41 0.03 0.00 0.01 0.00 0.00 72.50 71.65 1ng0 s THR 155 CO 0.60 -0.04 0.30 0.28 -0.69 0.00 0.00 174.62 175.08 1ng0 s THR 156 N -0.04 0.02 0.16 -0.82 -1.32 -1.26 -0.52 115.64 111.86 1ng0 s THR 156 Ca -0.02 -0.15 -0.23 0.00 -1.21 0.00 0.00 61.69 60.08 1ng0 s THR 156 Cb -0.02 -0.48 0.07 0.00 -1.51 0.00 0.00 72.50 70.55 1ng0 s THR 156 CO 0.01 -0.08 0.62 -0.55 -2.21 0.00 0.00 174.62 172.40 1ng0 s SER 157 N -0.27 -0.55 0.44 8.08 0.15 -0.89 -4.96 113.70 115.70 1ng0 s SER 157 Ca -0.04 -0.03 -0.24 0.00 0.70 0.00 0.00 55.95 56.34 1ng0 s SER 157 Cb -0.03 0.60 -0.10 0.00 -1.71 0.00 0.00 66.02 64.78 1ng0 s SER 157 CO 0.01 -0.98 1.04 0.59 1.20 0.00 0.00 173.24 175.11 1ng0 n ASN 158 N -0.38 1.41 0.28 5.45 4.13 -1.26 -0.94 115.26 123.94 1ng0 n ASN 158 Ca -0.16 1.02 0.18 0.00 1.68 0.00 0.00 54.58 57.31 1ng0 n ASN 158 Cb 0.65 -1.38 0.97 0.00 -1.54 0.00 0.00 39.78 38.48 1ng0 n ASN 158 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1ng0 h VAL 159 N 1.53 0.00 -0.37 2.41 3.04 -1.39 -0.66 116.25 120.81 1ng0 h VAL 159 Ca -0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 1ng0 h VAL 159 Cb 1.33 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 1ng0 h VAL 159 CO 0.57 0.00 0.00 -2.67 -1.01 0.00 0.00 177.57 174.46 1ng0 n TRP 160 N -2.78 0.48 -2.77 3.17 4.27 -1.26 -4.67 117.44 113.88 1ng0 n TRP 160 Ca -0.02 -0.26 -0.21 0.00 -3.89 0.00 0.00 57.50 53.11 1ng0 n TRP 160 Cb 0.09 -0.00 0.06 0.00 -1.36 0.00 0.00 31.31 30.10 1ng0 n TRP 160 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1ng0 s GLY 161 N -1.38 1.80 0.00 -1.67 0.00 -0.26 -4.68 107.32 101.14 1ng0 s GLY 161 Ca 0.36 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1ng0 s GLY 161 CO 0.29 -1.30 0.00 0.61 0.00 0.00 0.00 173.10 172.70 1ng0 n GLY 162 N -2.40 0.51 0.37 0.20 0.00 -1.25 -3.89 105.19 98.72 1ng0 n GLY 162 Ca 0.12 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.32 1ng0 n GLY 162 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ng0 h GLY 163 N 0.00 0.00 1.69 -0.02 0.00 -1.83 -0.22 103.07 102.69 1ng0 h GLY 163 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ng0 h GLY 163 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1ng0 n ASP 164 N -3.46 0.00 -0.00 0.19 8.00 -1.26 -2.97 116.55 117.05 1ng0 n ASP 164 Ca 0.04 0.08 0.14 0.00 0.71 0.00 0.00 54.79 55.75 1ng0 n ASP 164 Cb 0.51 -0.35 0.59 0.00 -0.02 0.00 0.00 41.12 41.85 1ng0 n ASP 164 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ng0 n GLY 165 N 0.98 -1.44 0.33 0.44 0.00 -0.09 -4.19 105.19 101.21 1ng0 n GLY 165 Ca 0.11 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.00 1ng0 n GLY 165 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ng0 h SER 166 N 0.01 -0.98 -0.10 1.61 0.87 -1.72 0.36 113.55 113.60 1ng0 h SER 166 Ca 0.00 0.26 0.03 0.00 -1.23 0.00 0.00 61.79 60.85 1ng0 h SER 166 Cb 0.48 0.58 -0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1ng0 h SER 166 CO 0.00 -0.29 0.08 0.77 -0.53 0.00 0.00 176.83 176.86 1ng0 h SER 167 N -0.03 0.00 0.00 6.23 4.64 -1.87 -2.38 113.55 120.14 1ng0 h SER 167 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1ng0 h SER 167 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1ng0 h SER 167 CO -0.86 0.00 0.08 -0.07 -0.87 0.00 0.00 176.83 175.10 1ng0 h LEU 168 N 0.00 0.00 -1.10 5.97 3.38 -1.20 -2.45 115.31 119.91 1ng0 h LEU 168 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ng0 h LEU 168 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ng0 h LEU 168 CO -0.00 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.46 1ng0 h LEU 169 N 0.00 0.00 -1.89 1.67 3.38 -1.56 -3.20 115.31 113.71 1ng0 h LEU 169 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ng0 h LEU 169 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ng0 h LEU 169 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1ng0 n HIS 170 N -3.09 0.00 -3.99 1.13 1.44 -0.94 -4.67 115.22 105.11 1ng0 n HIS 170 Ca 0.01 -0.24 -0.09 0.00 -2.01 0.00 0.00 57.72 55.39 1ng0 n HIS 170 Cb 0.36 -0.02 -0.01 0.00 0.12 0.00 0.00 29.99 30.43 1ng0 n HIS 170 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 1ng0 n THR 171 N -0.24 0.00 -1.00 0.61 5.66 -1.08 -5.05 114.28 113.18 1ng0 n THR 171 Ca 0.00 -0.69 0.01 0.00 -3.05 0.00 0.00 64.05 60.32 1ng0 n THR 171 Cb 0.19 -0.05 0.02 0.00 -1.55 0.00 0.00 70.33 68.94 1ng0 n THR 171 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1ng0 n SER 172 N -1.43 0.74 -4.62 1.09 7.64 -1.26 -4.91 113.62 110.87 1ng0 n SER 172 Ca -0.04 -1.70 -0.30 0.00 1.01 0.00 0.00 58.87 57.84 1ng0 n SER 172 Cb 0.19 -0.10 0.19 0.00 -1.01 0.00 0.00 64.21 63.48 1ng0 n SER 172 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1ng0 s MET 173 N -0.58 0.40 0.24 1.43 -1.94 -1.26 -4.99 119.30 112.61 1ng0 s MET 173 Ca 0.04 1.12 -0.18 0.00 -1.71 0.00 0.00 55.69 54.95 1ng0 s MET 173 Cb 0.03 -1.69 -0.08 0.00 2.01 0.00 0.00 34.83 35.10 1ng0 s MET 173 CO 0.00 -2.91 0.72 0.15 -0.01 0.00 0.00 175.02 172.97 1ng0 s LYS 174 N -4.65 4.19 0.10 2.03 1.02 -1.26 -4.97 119.74 116.19 1ng0 s LYS 174 Ca 0.66 0.82 -0.35 0.00 0.02 0.00 0.00 55.97 57.12 1ng0 s LYS 174 Cb -0.22 -2.77 -0.14 0.00 -0.52 0.00 0.00 37.83 34.17 1ng0 s LYS 174 CO 0.60 0.34 1.56 0.45 -0.92 0.00 0.00 175.35 177.38 1ng0 n SER 175 N 0.47 2.75 -3.70 2.83 2.88 -1.26 -4.95 113.62 112.64 1ng0 n SER 175 Ca -0.01 1.08 -0.10 0.00 -1.33 0.00 0.00 58.87 58.51 1ng0 n SER 175 Cb 0.52 -1.35 -0.04 0.00 -0.75 0.00 0.00 64.21 62.58 1ng0 n SER 175 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ng0 s MET 176 N 1.24 1.26 3.23 -1.46 0.23 -1.26 -5.05 119.30 117.50 1ng0 s MET 176 Ca 0.82 -0.81 0.00 0.00 -1.03 0.00 0.00 55.69 54.67 1ng0 s MET 176 Cb -0.76 0.50 0.00 0.00 -1.53 0.00 0.00 34.83 33.04 1ng0 s MET 176 CO 0.42 -0.52 0.00 0.41 -2.03 0.00 0.00 175.02 173.30 1ng0 n GLY 177 N -0.30 -0.23 0.93 3.16 0.00 -1.26 -3.55 105.19 103.94 1ng0 n GLY 177 Ca -0.12 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1ng0 n GLY 177 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ng0 n ASN 178 N 1.57 2.36 -4.75 1.61 5.03 -1.26 -4.90 115.26 114.92 1ng0 n ASN 178 Ca 0.00 -2.26 -0.41 0.00 0.87 0.00 0.00 54.58 52.78 1ng0 n ASN 178 Cb 0.00 -0.55 -0.04 0.00 -1.02 0.00 0.00 39.78 38.17 1ng0 n ASN 178 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ng0 s ALA 179 N -1.32 3.44 -0.52 5.41 0.00 -1.23 -3.81 121.76 123.73 1ng0 s ALA 179 Ca 0.14 0.99 -0.11 0.00 0.00 0.00 0.00 51.96 52.98 1ng0 s ALA 179 Cb 0.11 -3.39 0.13 0.00 0.00 0.00 0.00 23.12 19.97 1ng0 s ALA 179 CO 0.04 -0.33 0.42 0.08 0.00 0.00 0.00 175.76 175.97 1ng0 s VAL 180 N -0.79 4.52 0.17 0.00 1.01 -1.26 -4.87 120.40 119.18 1ng0 s VAL 180 Ca 0.48 -1.82 0.02 0.00 0.00 0.00 0.00 61.98 60.66 1ng0 s VAL 180 Cb -0.34 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 1ng0 s VAL 180 CO 0.42 -0.82 -0.01 0.42 0.00 0.00 0.00 175.10 175.11 1ng0 s THR 181 N 1.27 0.75 -0.17 3.92 -4.23 -1.26 -1.16 115.64 114.76 1ng0 s THR 181 Ca 0.06 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.54 1ng0 s THR 181 Cb -0.26 -2.10 0.08 0.00 1.34 0.00 0.00 72.50 71.57 1ng0 s THR 181 CO -0.01 -0.50 0.27 -0.55 -0.54 0.00 0.00 174.62 173.29 1ng0 s SER 182 N -3.18 0.65 -0.10 3.99 0.15 -0.34 -4.77 113.70 110.10 1ng0 s SER 182 Ca 0.23 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1ng0 s SER 182 Cb 0.06 0.67 -0.02 0.00 -1.71 0.00 0.00 66.02 65.01 1ng0 s SER 182 CO 0.04 -0.28 -0.11 0.00 1.20 0.00 0.00 173.24 174.09 1ng0 s ALA 183 N 2.41 2.76 -0.05 5.45 0.00 -1.26 -1.19 121.76 129.87 1ng0 s ALA 183 Ca 0.05 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 1ng0 s ALA 183 Cb -0.14 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 1ng0 s ALA 183 CO -0.11 0.38 1.17 -1.17 0.00 0.00 0.00 175.76 176.03 1ng0 s LEU 184 N -0.14 4.29 -0.58 0.00 2.96 -0.11 -4.77 118.68 120.32 1ng0 s LEU 184 Ca 0.00 1.79 -0.27 0.00 -0.22 0.00 0.00 54.13 55.44 1ng0 s LEU 184 Cb -0.13 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 1ng0 s LEU 184 CO 0.03 -0.54 1.84 -2.84 -1.32 0.00 0.00 176.35 173.52 1ng0 s PRO 185 N 2.01 2.73 0.00 0.98 0.02 -1.26 -4.48 135.00 135.00 1ng0 s PRO 185 Ca 0.55 0.71 0.30 0.00 0.02 0.00 0.00 61.00 62.58 1ng0 s PRO 185 Cb -0.24 -4.36 1.50 0.00 0.02 0.00 0.00 34.50 31.42 1ng0 s PRO 185 CO 0.22 -2.61 2.02 0.00 -0.33 0.00 0.00 177.00 176.31 1ng0 h ASP 187 N 0.20 0.10 -0.37 0.00 2.03 -1.90 -0.65 116.42 115.84 1ng0 h ASP 187 Ca 0.00 0.00 0.11 0.00 -0.73 0.00 0.00 57.03 56.41 1ng0 h ASP 187 Cb 0.26 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 38.73 1ng0 h ASP 187 CO 0.00 0.06 0.30 -0.08 -1.03 0.00 0.00 179.24 178.49 1ng0 h GLU 188 N 0.11 0.00 -0.40 4.15 4.81 -1.98 -2.39 114.58 118.90 1ng0 h GLU 188 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1ng0 h GLU 188 Cb 0.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1ng0 h GLU 188 CO -0.02 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.45 1ng0 n PHE 189 N -4.19 0.53 0.18 0.92 3.01 -0.26 -4.69 117.46 112.96 1ng0 n PHE 189 Ca 0.06 -0.46 0.10 0.00 1.01 0.00 0.00 57.45 58.15 1ng0 n PHE 189 Cb 0.47 -0.02 0.51 0.00 -0.01 0.00 0.00 39.48 40.44 1ng0 n PHE 189 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ng0 h SER 190 N 2.50 0.00 -0.01 4.37 4.64 -1.41 -1.66 113.55 121.99 1ng0 h SER 190 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ng0 h SER 190 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1ng0 h SER 190 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 1ng0 n ASN 191 N -2.22 1.21 -4.87 4.97 3.02 -1.26 -5.04 115.26 111.06 1ng0 n ASN 191 Ca -0.01 -1.13 -0.25 0.00 -0.03 0.00 0.00 54.58 53.16 1ng0 n ASN 191 Cb 0.20 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.33 1ng0 n ASN 191 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ng0 s LYS 192 N -0.20 3.15 -0.16 3.52 2.20 -0.63 -5.10 119.74 122.52 1ng0 s LYS 192 Ca 0.02 -0.81 -0.00 0.00 -0.36 0.00 0.00 55.97 54.82 1ng0 s LYS 192 Cb 0.01 -2.76 0.04 0.00 -1.51 0.00 0.00 37.83 33.61 1ng0 s LYS 192 CO 0.02 0.47 -0.08 -1.58 -0.36 0.00 0.00 175.35 173.82 1ng0 s TRP 193 N -1.85 1.89 0.21 4.03 0.52 -1.26 -4.75 118.94 117.73 1ng0 s TRP 193 Ca 0.33 -1.15 -0.06 0.00 0.02 0.00 0.00 56.10 55.24 1ng0 s TRP 193 Cb -0.10 -1.42 -0.06 0.00 -1.15 0.00 0.00 33.47 30.74 1ng0 s TRP 193 CO 0.26 -0.63 0.48 -0.06 0.02 0.00 0.00 176.95 177.02 1ng0 s PHE 194 N 1.57 3.45 -0.13 -1.98 0.40 0.20 -4.86 117.98 116.64 1ng0 s PHE 194 Ca 0.02 0.69 -0.21 0.00 -0.60 0.00 0.00 56.93 56.82 1ng0 s PHE 194 Cb -0.14 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.24 1ng0 s PHE 194 CO -0.08 0.32 0.63 0.15 0.70 0.00 0.00 175.22 176.93 1ng0 s LYS 195 N -2.92 4.33 0.04 0.44 -0.14 -1.26 -0.70 119.74 119.52 1ng0 s LYS 195 Ca 0.44 0.69 -0.30 0.00 -1.36 0.00 0.00 55.97 55.44 1ng0 s LYS 195 Cb -0.11 -3.50 -0.08 0.00 -1.68 0.00 0.00 37.83 32.46 1ng0 s LYS 195 CO 0.24 -0.04 1.63 -0.51 -0.76 0.00 0.00 175.35 175.92 1ng0 s LEU 196 N 1.22 4.36 -0.05 3.17 1.43 -0.37 -4.94 118.68 123.50 1ng0 s LEU 196 Ca 0.32 2.42 0.06 0.00 -1.03 0.00 0.00 54.13 55.90 1ng0 s LEU 196 Cb -0.16 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1ng0 s LEU 196 CO 0.13 -0.88 -0.24 -0.55 0.23 0.00 0.00 176.35 175.05 1ng0 s SER 197 N 2.52 2.89 0.00 2.29 0.15 -1.26 -4.62 113.70 115.67 1ng0 s SER 197 Ca 0.73 -0.47 0.12 0.00 0.70 0.00 0.00 55.95 57.03 1ng0 s SER 197 Cb -0.38 -0.69 0.28 0.00 -1.71 0.00 0.00 66.02 63.52 1ng0 s SER 197 CO 0.31 0.24 1.19 0.79 1.20 0.00 0.00 173.24 176.97 1ng0 n TRP 198 N 2.87 0.39 -4.21 3.44 8.01 -1.26 -4.71 117.44 121.97 1ng0 n TRP 198 Ca -0.17 -0.37 -0.25 0.00 -1.31 0.00 0.00 57.50 55.39 1ng0 n TRP 198 Cb 0.52 -0.02 -0.07 0.00 -2.01 0.00 0.00 31.31 29.73 1ng0 n TRP 198 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 1ng0 s SER 199 N -1.01 4.85 0.25 -0.99 1.04 -1.26 -5.08 113.70 111.49 1ng0 s SER 199 Ca 0.23 -0.41 -0.23 0.00 0.48 0.00 0.00 55.95 56.02 1ng0 s SER 199 Cb 0.13 -1.05 -0.09 0.00 0.10 0.00 0.00 66.02 65.11 1ng0 s SER 199 CO 0.17 0.06 0.82 -0.89 0.98 0.00 0.00 173.24 174.38 1ng0 s THR 200 N -1.87 4.38 0.30 2.02 2.01 -1.26 -5.01 115.64 116.22 1ng0 s THR 200 Ca 0.29 1.59 -0.29 0.00 0.31 0.00 0.00 61.69 63.59 1ng0 s THR 200 Cb -0.09 -3.99 -0.11 0.00 0.01 0.00 0.00 72.50 68.33 1ng0 s THR 200 CO 0.20 0.26 1.49 -2.84 -0.69 0.00 0.00 174.62 173.04 1ng0 s PRO 201 N -1.81 4.19 0.73 4.92 0.02 -1.26 -4.96 135.00 136.83 1ng0 s PRO 201 Ca 0.44 2.46 -0.15 0.00 0.02 0.00 0.00 61.00 63.77 1ng0 s PRO 201 Cb -0.19 -3.04 0.04 0.00 0.02 0.00 0.00 34.50 31.33 1ng0 s PRO 201 CO 0.23 -0.50 1.22 -1.21 -0.33 0.00 0.00 177.00 176.42 1ng0 s GLU 202 N -0.98 2.10 0.17 5.54 0.41 -1.26 -4.91 118.70 119.77 1ng0 s GLU 202 Ca 0.58 1.81 -0.10 0.00 -0.41 0.00 0.00 54.97 56.85 1ng0 s GLU 202 Cb -0.45 -1.82 0.06 0.00 -1.78 0.00 0.00 34.13 30.14 1ng0 s GLU 202 CO 0.51 -1.88 1.64 0.93 -0.49 0.00 0.00 175.26 175.97 1ng0 h GLU 203 N -0.28 1.02 0.00 1.61 4.39 -2.04 -2.81 114.58 116.47 1ng0 h GLU 203 Ca -0.48 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 58.91 1ng0 h GLU 203 Cb 1.30 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1ng0 h GLU 203 CO 0.49 0.99 0.00 0.66 -1.16 0.00 0.00 179.01 179.99 1ng0 h SER 204 N 0.91 0.00 -3.11 1.42 4.64 -2.03 -3.46 113.55 111.93 1ng0 h SER 204 Ca 0.17 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.96 1ng0 h SER 204 Cb 0.51 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.66 1ng0 h SER 204 CO 0.02 0.00 0.88 -0.70 -0.87 0.00 0.00 176.83 176.16 1ng0 s GLU 205 N -3.35 4.18 0.18 4.77 2.12 -1.06 -4.92 118.70 120.61 1ng0 s GLU 205 Ca 0.05 2.47 -0.31 0.00 0.36 0.00 0.00 54.97 57.54 1ng0 s GLU 205 Cb 0.09 -3.08 -0.10 0.00 0.26 0.00 0.00 34.13 31.31 1ng0 s GLU 205 CO 0.50 -0.60 1.49 1.21 -0.54 0.00 0.00 175.26 177.32 1ng0 s ASN 206 N 0.73 6.66 0.26 -1.70 3.84 -1.26 -4.89 114.94 118.58 1ng0 s ASN 206 Ca 0.66 2.56 -0.02 0.00 0.21 0.00 0.00 52.86 56.28 1ng0 s ASN 206 Cb -0.46 -2.60 0.54 0.00 -0.55 0.00 0.00 41.25 38.18 1ng0 s ASN 206 CO 0.40 -0.75 1.72 0.00 -2.79 0.00 0.00 177.10 175.68 1ng0 h ALA 207 N 6.29 1.18 -0.37 1.71 0.00 -1.92 0.13 119.26 126.27 1ng0 h ALA 207 Ca -0.43 0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.67 1ng0 h ALA 207 Cb 1.21 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1ng0 h ALA 207 CO 0.86 -0.24 0.25 0.45 0.00 0.00 0.00 179.25 180.58 1ng0 h HIS 208 N 0.44 0.24 0.02 0.00 3.86 -1.93 -0.37 115.15 117.40 1ng0 h HIS 208 Ca 0.46 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.68 1ng0 h HIS 208 Cb 0.75 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1ng0 h HIS 208 CO -0.16 0.13 -0.01 1.25 0.86 0.00 0.00 177.93 180.00 1ng0 h LEU 209 N 0.24 -0.02 -0.89 2.43 6.46 -1.14 -3.22 115.31 119.17 1ng0 h LEU 209 Ca 0.17 -0.62 0.11 0.00 -0.12 0.00 0.00 57.88 57.41 1ng0 h LEU 209 Cb 0.35 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.21 1ng0 h LEU 209 CO -0.03 0.63 0.53 0.74 -0.62 0.00 0.00 178.44 179.68 1ng0 h THR 210 N -0.67 0.90 -0.39 1.05 2.02 -0.92 -0.26 112.91 114.63 1ng0 h THR 210 Ca -0.00 -0.29 0.11 0.00 0.77 0.00 0.00 66.41 67.00 1ng0 h THR 210 Cb 0.64 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1ng0 h THR 210 CO 0.00 0.16 0.38 -0.78 0.37 0.00 0.00 175.52 175.65 1ng0 h ASP 211 N 0.85 0.00 1.03 4.18 3.58 -1.09 -1.45 116.42 123.51 1ng0 h ASP 211 Ca 0.44 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.88 1ng0 h ASP 211 Cb 0.43 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.48 1ng0 h ASP 211 CO -0.26 0.00 -0.06 0.71 -2.88 0.00 0.00 179.24 176.75 1ng0 h THR 212 N 0.00 0.14 0.00 2.25 1.35 -1.08 -3.22 112.91 112.36 1ng0 h THR 212 Ca 0.19 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1ng0 h THR 212 Cb 0.95 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1ng0 h THR 212 CO -0.00 0.06 -0.00 0.00 -0.25 0.00 0.00 175.52 175.32 1ng0 n TYR 213 N -3.17 0.00 -4.02 4.73 0.18 -0.59 -4.93 117.16 109.36 1ng0 n TYR 213 Ca 0.01 -0.39 -0.32 0.00 1.88 0.00 0.00 57.90 59.08 1ng0 n TYR 213 Cb 0.34 -0.04 -0.15 0.00 -0.38 0.00 0.00 39.34 39.12 1ng0 n TYR 213 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1ng0 s VAL 214 N -0.78 2.35 0.25 -3.48 1.01 -0.95 -4.84 120.40 113.96 1ng0 s VAL 214 Ca 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 59.93 1ng0 s VAL 214 Cb 0.00 -2.57 0.25 0.00 0.00 0.00 0.00 36.38 34.06 1ng0 s VAL 214 CO 0.00 -0.36 1.67 -0.65 0.00 0.00 0.00 175.10 175.76 1ng0 h PRO 215 N 7.72 0.20 -1.93 2.72 0.11 -1.83 -3.45 132.00 135.54 1ng0 h PRO 215 Ca -0.11 -0.01 0.33 0.00 0.11 0.00 0.00 66.00 66.31 1ng0 h PRO 215 Cb 1.03 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.01 1ng0 h PRO 215 CO 0.51 0.13 0.86 0.00 -0.21 0.00 0.00 178.00 179.29 1ng0 s ALA 216 N -6.05 -2.33 -0.02 -0.75 0.00 -1.26 -4.86 121.76 106.48 1ng0 s ALA 216 Ca -0.13 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.12 1ng0 s ALA 216 Cb 0.22 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 1ng0 s ALA 216 CO 0.76 -1.11 -0.23 1.03 0.00 0.00 0.00 175.76 176.21 1ng0 s ARG 217 N -2.16 1.91 -0.18 0.00 0.52 -0.44 -1.35 118.95 117.24 1ng0 s ARG 217 Ca 0.24 -0.82 -0.08 0.00 -0.52 0.00 0.00 55.73 54.55 1ng0 s ARG 217 Cb 0.01 -1.82 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 1ng0 s ARG 217 CO -0.01 0.47 0.08 0.12 0.02 0.00 0.00 175.30 175.98 1ng0 s PHE 218 N -0.48 3.30 -0.05 -0.53 5.36 0.81 -0.71 117.98 125.68 1ng0 s PHE 218 Ca 0.07 0.16 0.06 0.00 -0.96 0.00 0.00 56.93 56.26 1ng0 s PHE 218 Cb -0.09 -2.08 -0.02 0.00 -0.34 0.00 0.00 43.02 40.49 1ng0 s PHE 218 CO -0.00 0.23 -0.22 0.08 -1.46 0.00 0.00 175.22 173.84 1ng0 s VAL 219 N 0.23 2.34 -0.06 3.12 1.01 0.35 -0.37 120.40 127.02 1ng0 s VAL 219 Ca 0.05 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1ng0 s VAL 219 Cb -0.12 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 1ng0 s VAL 219 CO -0.00 0.57 -0.18 -0.69 0.00 0.00 0.00 175.10 174.80 1ng0 s VAL 220 N -0.39 1.55 0.10 2.92 1.01 -0.35 -1.94 120.40 123.30 1ng0 s VAL 220 Ca 0.03 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1ng0 s VAL 220 Cb -0.12 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1ng0 s VAL 220 CO 0.02 0.44 -0.07 -0.60 0.00 0.00 0.00 175.10 174.89 1ng0 s ARG 221 N 0.14 0.85 -0.01 2.72 3.52 0.29 -1.31 118.95 125.16 1ng0 s ARG 221 Ca -0.07 -1.34 0.01 0.00 -0.13 0.00 0.00 55.73 54.19 1ng0 s ARG 221 Cb -0.13 -0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 32.99 1ng0 s ARG 221 CO 0.03 -0.01 0.03 0.45 -0.81 0.00 0.00 175.30 175.00 1ng0 s SER 222 N -3.05 5.35 0.31 -2.12 0.15 -1.18 -1.04 113.70 112.12 1ng0 s SER 222 Ca 0.12 0.06 0.17 0.00 0.70 0.00 0.00 55.95 57.00 1ng0 s SER 222 Cb 0.05 -1.46 0.13 0.00 -1.71 0.00 0.00 66.02 63.03 1ng0 s SER 222 CO -0.04 0.28 1.46 -2.24 1.20 0.00 0.00 173.24 173.90 1ng0 h ASP 223 N 4.28 0.00 -5.01 5.45 2.03 -1.91 -3.42 116.42 117.85 1ng0 h ASP 223 Ca -0.49 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 55.71 1ng0 h ASP 223 Cb 1.18 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.49 1ng0 h ASP 223 CO 0.59 0.36 -0.16 0.12 -1.03 0.00 0.00 179.24 179.12 1ng0 s PHE 224 N -3.04 -0.27 0.24 4.15 5.36 -1.26 -4.93 117.98 118.23 1ng0 s PHE 224 Ca 0.04 0.38 -0.30 0.00 -0.96 0.00 0.00 56.93 56.10 1ng0 s PHE 224 Cb 0.07 0.18 -0.10 0.00 -0.34 0.00 0.00 43.02 42.83 1ng0 s PHE 224 CO 0.73 -0.48 1.37 -2.14 -1.46 0.00 0.00 175.22 173.25 1ng0 s PRO 225 N -1.64 4.33 0.18 10.12 0.02 -1.26 -4.80 135.00 141.95 1ng0 s PRO 225 Ca -0.11 2.19 0.03 0.00 0.02 0.00 0.00 61.00 63.14 1ng0 s PRO 225 Cb -0.03 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 1ng0 s PRO 225 CO 0.03 -0.33 0.31 0.14 -0.33 0.00 0.00 177.00 176.83 1ng0 s VAL 226 N -0.07 5.30 -0.03 3.83 -7.23 -1.26 -4.85 120.40 116.08 1ng0 s VAL 226 Ca 0.57 -0.79 -0.22 0.00 -1.81 0.00 0.00 61.98 59.73 1ng0 s VAL 226 Cb -0.39 -3.79 -0.24 0.00 0.56 0.00 0.00 36.38 32.52 1ng0 s VAL 226 CO 0.42 -0.18 1.04 0.58 -0.31 0.00 0.00 175.10 176.65 1ng0 h VAL 227 N 1.46 1.50 -3.67 1.32 2.07 -1.95 -0.37 116.25 116.61 1ng0 h VAL 227 Ca -0.50 -2.08 -0.67 0.00 0.82 0.00 0.00 66.70 64.27 1ng0 h VAL 227 Cb 1.21 2.76 -0.26 0.00 -1.52 0.00 0.00 31.29 33.47 1ng0 h VAL 227 CO 0.66 0.59 -0.78 -0.89 0.02 0.00 0.00 177.57 177.16 1ng0 s THR 228 N -3.06 2.90 0.57 2.57 2.01 -1.26 -4.55 115.64 114.82 1ng0 s THR 228 Ca -0.15 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 60.91 1ng0 s THR 228 Cb 0.02 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 1ng0 s THR 228 CO 0.78 0.56 1.26 0.00 -0.69 0.00 0.00 174.62 176.53 1ng0 s ALA 229 N -0.12 2.66 0.29 7.40 0.00 -1.26 -4.70 121.76 126.03 1ng0 s ALA 229 Ca -0.02 1.13 -0.19 0.00 0.00 0.00 0.00 51.96 52.88 1ng0 s ALA 229 Cb -0.14 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.54 1ng0 s ALA 229 CO 0.04 -1.22 0.86 0.16 0.00 0.00 0.00 175.76 175.59 1ng0 s ASP 230 N -1.34 -0.07 -0.49 0.00 1.47 -0.47 -4.97 116.67 110.80 1ng0 s ASP 230 Ca 0.75 -0.85 0.03 0.00 1.18 0.00 0.00 52.55 53.66 1ng0 s ASP 230 Cb -0.34 0.70 0.15 0.00 -0.34 0.00 0.00 42.92 43.09 1ng0 s ASP 230 CO 0.39 -1.37 0.31 -1.58 0.68 0.00 0.00 175.17 173.60 1ng0 s GLN 231 N -2.70 1.42 0.57 2.11 0.74 -1.26 -0.51 119.66 120.03 1ng0 s GLN 231 Ca 0.16 -2.29 0.29 0.00 0.05 0.00 0.00 55.36 53.57 1ng0 s GLN 231 Cb -0.04 -2.32 1.70 0.00 1.10 0.00 0.00 33.01 33.44 1ng0 s GLN 231 CO 0.08 -1.24 2.19 -1.35 -0.55 0.00 0.00 175.29 174.42 1ng0 h PRO 232 N 6.22 0.00 0.00 1.67 0.11 -1.91 -3.46 132.00 134.63 1ng0 h PRO 232 Ca 0.09 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.29 1ng0 h PRO 232 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1ng0 h PRO 232 CO 0.50 0.05 0.45 0.41 -0.21 0.00 0.00 178.00 179.20 1ng0 n GLY 233 N -1.08 0.78 3.54 -0.55 0.00 -1.26 -0.62 105.19 106.00 1ng0 n GLY 233 Ca -0.03 -1.17 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 1ng0 n GLY 233 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ng0 s HIS 234 N -2.50 2.69 -0.27 1.61 3.76 0.54 -0.43 115.29 120.70 1ng0 s HIS 234 Ca 0.19 -0.18 -0.07 0.00 -0.15 0.00 0.00 55.06 54.85 1ng0 s HIS 234 Cb -0.03 -1.46 -0.01 0.00 1.11 0.00 0.00 32.58 32.19 1ng0 s HIS 234 CO 0.07 0.37 0.07 -0.51 -0.85 0.00 0.00 174.74 173.89 1ng0 s LEU 235 N -1.90 3.57 0.08 0.89 1.43 0.16 -1.55 118.68 121.37 1ng0 s LEU 235 Ca 0.19 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.95 1ng0 s LEU 235 Cb -0.11 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1ng0 s LEU 235 CO 0.10 -0.09 -0.10 0.26 0.23 0.00 0.00 176.35 176.75 1ng0 s TRP 236 N 1.57 2.76 -0.10 0.29 0.52 -0.24 -0.92 118.94 122.83 1ng0 s TRP 236 Ca 0.05 -0.14 0.04 0.00 0.02 0.00 0.00 56.10 56.07 1ng0 s TRP 236 Cb -0.16 -1.48 -0.00 0.00 -1.15 0.00 0.00 33.47 30.68 1ng0 s TRP 236 CO 0.03 0.40 -0.24 -1.17 0.02 0.00 0.00 176.95 175.99 1ng0 s LEU 237 N -1.96 2.12 -0.23 2.99 2.96 -0.08 -0.19 118.68 124.28 1ng0 s LEU 237 Ca 0.20 -0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 1ng0 s LEU 237 Cb -0.11 -1.42 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 1ng0 s LEU 237 CO 0.12 0.16 -0.00 -0.13 -1.32 0.00 0.00 176.35 175.18 1ng0 s ARG 238 N 0.32 3.48 0.07 1.98 0.52 0.18 -0.89 118.95 124.60 1ng0 s ARG 238 Ca -0.18 -0.57 0.01 0.00 -0.52 0.00 0.00 55.73 54.46 1ng0 s ARG 238 Cb -0.18 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 1ng0 s ARG 238 CO 0.09 -0.19 -0.05 -1.54 0.02 0.00 0.00 175.30 173.62 1ng0 s SER 239 N 1.52 0.77 -0.09 0.23 1.04 -0.67 -1.37 113.70 115.14 1ng0 s SER 239 Ca 0.06 -0.91 -0.04 0.00 0.48 0.00 0.00 55.95 55.55 1ng0 s SER 239 Cb -0.15 0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.15 1ng0 s SER 239 CO -0.01 -0.47 0.18 -0.60 0.98 0.00 0.00 173.24 173.32 1ng0 s ARG 240 N -3.40 0.10 0.12 4.02 3.52 0.24 -0.67 118.95 122.87 1ng0 s ARG 240 Ca 0.05 0.50 0.00 0.00 -0.13 0.00 0.00 55.73 56.15 1ng0 s ARG 240 Cb 0.03 -0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.20 1ng0 s ARG 240 CO -0.06 -0.23 0.00 0.96 -0.81 0.00 0.00 175.30 175.17 1ng0 s ILE 241 N 1.71 0.36 -0.10 4.11 -4.36 -1.26 -0.27 121.20 121.39 1ng0 s ILE 241 Ca -0.04 -1.91 -0.01 0.00 -0.26 0.00 0.00 60.65 58.43 1ng0 s ILE 241 Cb -0.12 -1.87 -0.03 0.00 1.25 0.00 0.00 42.46 41.69 1ng0 s ILE 241 CO -0.07 -0.67 -0.05 -0.76 0.24 0.00 0.00 174.94 173.64 1ng0 s LEU 242 N -3.04 3.27 -0.04 0.37 1.43 0.01 -2.18 118.68 118.50 1ng0 s LEU 242 Ca 0.18 -0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.31 1ng0 s LEU 242 Cb 0.07 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 1ng0 s LEU 242 CO -0.02 0.30 -0.21 -0.76 0.23 0.00 0.00 176.35 175.89 1ng0 s LEU 243 N -0.43 2.31 -0.02 1.79 1.43 0.97 -1.27 118.68 123.47 1ng0 s LEU 243 Ca 0.07 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.64 1ng0 s LEU 243 Cb -0.12 -1.42 0.03 0.00 0.03 0.00 0.00 46.19 44.70 1ng0 s LEU 243 CO 0.02 0.32 0.34 -0.75 0.23 0.00 0.00 176.35 176.51 1ng0 s LYS 244 N -0.60 0.69 0.00 1.70 2.20 -0.58 0.06 119.74 123.22 1ng0 s LYS 244 Ca 0.09 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 1ng0 s LYS 244 Cb -0.11 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1ng0 s LYS 244 CO 0.00 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.21 1ng0 n GLY 245 N 1.27 -1.03 3.78 5.54 0.00 -1.26 0.07 105.19 113.55 1ng0 n GLY 245 Ca -0.21 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 1ng0 n GLY 245 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ng0 s SER 246 N -0.30 6.92 0.10 1.61 0.15 -1.26 -0.63 113.70 120.28 1ng0 s SER 246 Ca 0.00 1.09 -0.20 0.00 0.70 0.00 0.00 55.95 57.54 1ng0 s SER 246 Cb 0.00 -2.33 0.05 0.00 -1.71 0.00 0.00 66.02 62.02 1ng0 s SER 246 CO 0.00 0.15 0.48 0.68 1.20 0.00 0.00 173.24 175.75 1ng0 s VAL 247 N -0.35 0.04 -0.02 4.45 -7.23 -1.21 -4.75 120.40 111.33 1ng0 s VAL 247 Ca 0.29 -0.33 -0.30 0.00 -1.81 0.00 0.00 61.98 59.82 1ng0 s VAL 247 Cb -0.18 -1.05 -0.03 0.00 0.56 0.00 0.00 36.38 35.69 1ng0 s VAL 247 CO 0.16 -0.18 0.98 -0.55 -0.31 0.00 0.00 175.10 175.19 1ng0 s SER 248 N -2.43 7.34 0.29 4.85 0.15 -1.26 -4.49 113.70 118.15 1ng0 s SER 248 Ca -0.01 1.63 0.03 0.00 0.70 0.00 0.00 55.95 58.30 1ng0 s SER 248 Cb 0.00 -2.56 0.70 0.00 -1.71 0.00 0.00 66.02 62.45 1ng0 s SER 248 CO -0.08 -0.28 1.68 -0.65 1.20 0.00 0.00 173.24 175.11 1ng0 h PRO 249 N 6.84 0.34 0.00 5.44 0.11 -1.90 0.52 132.00 143.34 1ng0 h PRO 249 Ca -0.40 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 1ng0 h PRO 249 Cb 1.21 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ng0 h PRO 249 CO 0.77 0.22 -0.10 0.66 -0.21 0.00 0.00 178.00 179.34 1ng0 h SER 250 N 0.35 0.00 -0.06 -2.05 4.64 -1.91 -2.37 113.55 112.15 1ng0 h SER 250 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1ng0 h SER 250 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1ng0 h SER 250 CO -0.55 0.10 0.00 0.35 -0.87 0.00 0.00 176.83 175.85 1ng0 n THR 251 N -3.40 0.04 -2.81 2.95 -2.24 0.11 -4.88 114.28 104.06 1ng0 n THR 251 Ca -0.01 -0.52 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 1ng0 n THR 251 Cb 0.26 1.45 -0.04 0.00 -2.10 0.00 0.00 70.33 69.90 1ng0 n THR 251 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ng0 s ASN 252 N -1.96 6.49 0.00 3.42 3.84 -0.85 -4.96 114.94 120.92 1ng0 s ASN 252 Ca 0.29 0.10 0.00 0.00 0.21 0.00 0.00 52.86 53.45 1ng0 s ASN 252 Cb 0.20 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.45 1ng0 s ASN 252 CO 0.30 -1.08 0.47 0.18 -2.79 0.00 0.00 177.10 174.18