#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ghu s SER 59 N 0.00 6.30 0.28 1.61 0.15 -1.26 -4.53 113.70 116.25 1ghu s SER 59 Ca 0.00 -0.39 -0.03 0.00 0.70 0.00 0.00 55.95 56.23 1ghu s SER 59 Cb 0.00 -2.48 0.39 0.00 -1.71 0.00 0.00 66.02 62.22 1ghu s SER 59 CO 0.00 -1.42 1.90 4.11 1.20 0.00 0.00 173.24 179.03 1ghu h TRP 60 N 9.52 1.02 -3.30 3.44 5.08 -1.99 -3.42 115.95 126.30 1ghu h TRP 60 Ca -0.27 -0.02 -0.57 0.00 1.08 0.00 0.00 58.89 59.11 1ghu h TRP 60 Cb 1.07 -0.33 -0.06 0.00 -3.00 0.00 0.00 29.16 26.84 1ghu h TRP 60 CO 0.98 0.71 0.42 0.12 -1.28 0.00 0.00 178.44 179.39 1ghu s PHE 61 N -5.67 3.46 0.00 0.12 5.36 -1.26 -2.44 117.98 117.55 1ghu s PHE 61 Ca -0.11 1.36 0.00 0.00 -0.96 0.00 0.00 56.93 57.22 1ghu s PHE 61 Cb 0.17 -3.05 0.00 0.00 -0.34 0.00 0.00 43.02 39.80 1ghu s PHE 61 CO 0.80 -0.21 0.00 1.19 -1.46 0.00 0.00 175.22 175.55 1ghu n PHE 62 N 5.03 0.00 0.00 10.12 3.01 -1.25 -5.03 117.46 129.34 1ghu n PHE 62 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1ghu n PHE 62 Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 1ghu n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ghu n GLY 63 N 2.84 -1.73 2.51 1.37 0.00 -1.26 -5.10 105.19 103.83 1ghu n GLY 63 Ca 0.00 0.78 -0.28 0.00 0.00 0.00 0.00 46.02 46.52 1ghu n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ghu s LYS 64 N 0.00 0.41 0.13 1.61 2.20 -1.26 -2.58 119.74 120.24 1ghu s LYS 64 Ca 0.00 -0.96 0.07 0.00 -0.36 0.00 0.00 55.97 54.71 1ghu s LYS 64 Cb 0.00 -1.20 -0.04 0.00 -1.51 0.00 0.00 37.83 35.09 1ghu s LYS 64 CO 0.00 -1.13 -0.16 0.96 -0.36 0.00 0.00 175.35 174.66 1ghu s ILE 65 N 1.52 1.47 0.98 5.43 -4.36 -1.25 -4.94 121.20 120.04 1ghu s ILE 65 Ca 0.14 -1.71 -0.16 0.00 -0.26 0.00 0.00 60.65 58.66 1ghu s ILE 65 Cb -0.20 -1.57 0.20 0.00 1.25 0.00 0.00 42.46 42.14 1ghu s ILE 65 CO -0.15 -0.34 1.27 -2.16 0.24 0.00 0.00 174.94 173.80 1ghu s PRO 66 N -2.54 0.53 0.19 0.37 0.04 -1.26 -4.62 135.00 127.70 1ghu s PRO 66 Ca 0.09 -0.27 -0.12 0.00 0.04 0.00 0.00 61.00 60.75 1ghu s PRO 66 Cb -0.06 -1.82 0.10 0.00 0.04 0.00 0.00 34.50 32.76 1ghu s PRO 66 CO 0.04 -2.51 1.80 -0.09 0.04 0.00 0.00 177.00 176.28 1ghu h ARG 67 N -1.71 0.89 -0.22 4.56 2.43 -1.96 -2.90 114.38 115.46 1ghu h ARG 67 Ca -0.45 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 58.60 1ghu h ARG 67 Cb 1.26 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1ghu h ARG 67 CO 0.42 0.67 0.05 0.00 -1.51 0.00 0.00 179.97 179.59 1ghu h ALA 68 N 1.17 0.30 -0.53 2.80 0.00 -1.99 -2.01 119.26 119.00 1ghu h ALA 68 Ca 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ghu h ALA 68 Cb 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1ghu h ALA 68 CO -0.04 -0.05 0.23 0.87 0.00 0.00 0.00 179.25 180.27 1ghu h LYS 69 N 0.18 0.74 -0.54 0.00 1.79 -1.97 -2.06 116.57 114.72 1ghu h LYS 69 Ca 0.07 -0.10 -0.10 0.00 -2.18 0.00 0.00 60.65 58.35 1ghu h LYS 69 Cb 0.29 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 1ghu h LYS 69 CO 0.00 0.60 -0.03 0.00 -1.08 0.00 0.00 179.45 178.93 1ghu h ALA 70 N 1.52 0.73 -0.75 3.86 0.00 -1.47 -2.97 119.26 120.18 1ghu h ALA 70 Ca 0.18 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1ghu h ALA 70 Cb 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1ghu h ALA 70 CO -0.02 0.58 0.25 0.93 0.00 0.00 0.00 179.25 181.00 1ghu h GLU 71 N 0.85 1.16 -0.08 0.00 5.08 -1.32 -2.79 114.58 117.49 1ghu h GLU 71 Ca 0.15 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1ghu h GLU 71 Cb 0.58 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1ghu h GLU 71 CO 0.03 0.97 0.05 0.93 -1.00 0.00 0.00 179.01 179.99 1ghu h GLU 72 N 1.11 0.10 -0.02 2.33 5.08 -1.40 -2.00 114.58 119.79 1ghu h GLU 72 Ca 0.25 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1ghu h GLU 72 Cb 0.28 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1ghu h GLU 72 CO -0.01 0.10 0.01 0.52 -1.00 0.00 0.00 179.01 178.63 1ghu h MET 73 N 0.08 0.03 0.00 2.33 2.86 -1.60 -3.30 114.93 115.31 1ghu h MET 73 Ca 0.03 -0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 1ghu h MET 73 Cb 0.02 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1ghu h MET 73 CO -0.01 0.13 -0.36 -0.07 1.06 0.00 0.00 176.91 177.67 1ghu h LEU 74 N -0.09 0.00 -1.21 1.22 4.07 -1.55 -3.11 115.31 114.64 1ghu h LEU 74 Ca 0.01 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.99 1ghu h LEU 74 Cb 0.11 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 1ghu h LEU 74 CO -0.00 0.36 0.54 -1.28 -1.08 0.00 0.00 178.44 176.98 1ghu h SER 75 N 0.00 0.90 0.01 -0.43 0.87 -1.44 -2.78 113.55 110.68 1ghu h SER 75 Ca -0.00 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 1ghu h SER 75 Cb 0.73 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1ghu h SER 75 CO 0.05 0.63 -0.11 0.11 -0.53 0.00 0.00 176.83 176.98 1ghu h LYS 76 N 1.05 0.23 -6.31 2.24 1.57 -1.63 -3.44 116.57 110.28 1ghu h LYS 76 Ca 0.32 -0.05 -0.54 0.00 -1.87 0.00 0.00 60.65 58.51 1ghu h LYS 76 Cb -0.03 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1ghu h LYS 76 CO -0.08 0.34 1.12 -0.65 -0.57 0.00 0.00 179.45 179.61 1ghu s GLN 77 N -4.77 4.17 0.56 3.15 1.11 -1.05 -4.95 119.66 117.89 1ghu s GLN 77 Ca -0.05 2.33 0.35 0.00 0.01 0.00 0.00 55.36 57.99 1ghu s GLN 77 Cb 0.16 -3.99 1.49 0.00 -1.01 0.00 0.00 33.01 29.65 1ghu s GLN 77 CO 0.73 -0.86 2.03 0.07 0.01 0.00 0.00 175.29 177.26 1ghu h ARG 78 N 9.70 0.00 -5.94 2.91 0.11 -1.86 -3.47 114.38 115.83 1ghu h ARG 78 Ca -0.43 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.08 1ghu h ARG 78 Cb 1.20 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.21 1ghu h ARG 78 CO 0.95 0.00 -0.04 -1.01 0.10 0.00 0.00 179.97 179.96 1ghu s HIS 79 N -3.72 3.59 -0.09 4.08 3.76 -1.26 -5.04 115.29 116.61 1ghu s HIS 79 Ca 0.00 1.09 -0.30 0.00 -0.15 0.00 0.00 55.06 55.70 1ghu s HIS 79 Cb 0.09 -2.62 -0.03 0.00 1.11 0.00 0.00 32.58 31.13 1ghu s HIS 79 CO 0.53 0.23 1.26 0.34 -0.85 0.00 0.00 174.74 176.25 1ghu s ASP 80 N 0.33 6.98 0.00 1.40 2.15 -1.26 -2.93 116.67 123.34 1ghu s ASP 80 Ca 0.30 1.82 0.00 0.00 0.43 0.00 0.00 52.55 55.11 1ghu s ASP 80 Cb -0.17 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1ghu s ASP 80 CO 0.15 -0.67 0.00 0.61 -0.17 0.00 0.00 175.17 175.08 1ghu n GLY 81 N 3.51 0.61 3.60 2.66 0.00 -0.45 -4.70 105.19 110.42 1ghu n GLY 81 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1ghu n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ghu s ALA 82 N -2.06 2.87 0.28 4.61 0.00 -1.15 -1.46 121.76 124.85 1ghu s ALA 82 Ca 0.00 0.12 0.12 0.00 0.00 0.00 0.00 51.96 52.20 1ghu s ALA 82 Cb 0.00 -4.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.06 1ghu s ALA 82 CO 0.00 -2.64 -0.19 -0.59 0.00 0.00 0.00 175.76 172.34 1ghu s PHE 83 N 6.67 2.32 -0.00 0.00 -0.71 -1.10 -1.72 117.98 123.44 1ghu s PHE 83 Ca 0.75 -0.32 -0.02 0.00 -1.04 0.00 0.00 56.93 56.29 1ghu s PHE 83 Cb -0.20 -1.01 -0.00 0.00 -1.21 0.00 0.00 43.02 40.60 1ghu s PHE 83 CO 0.33 0.71 0.04 -0.48 -1.34 0.00 0.00 175.22 174.48 1ghu s LEU 84 N -3.52 1.91 -0.34 -1.99 0.05 -0.73 -4.46 118.68 109.59 1ghu s LEU 84 Ca 0.30 -0.18 -0.15 0.00 0.05 0.00 0.00 54.13 54.15 1ghu s LEU 84 Cb -0.05 0.26 -0.01 0.00 -2.05 0.00 0.00 46.19 44.33 1ghu s LEU 84 CO 0.15 -0.20 0.37 -0.63 -0.55 0.00 0.00 176.35 175.50 1ghu s ILE 85 N -0.81 5.16 0.12 1.48 1.09 -1.02 -1.42 121.20 125.79 1ghu s ILE 85 Ca -0.09 0.06 0.03 0.00 -1.10 0.00 0.00 60.65 59.55 1ghu s ILE 85 Cb -0.05 -3.83 -0.04 0.00 -1.06 0.00 0.00 42.46 37.48 1ghu s ILE 85 CO -0.00 -0.10 0.18 0.00 -0.10 0.00 0.00 174.94 174.92 1ghu s ARG 86 N 2.04 3.16 0.20 2.79 1.70 -0.77 -3.83 118.95 124.24 1ghu s ARG 86 Ca 0.12 -0.66 -0.26 0.00 -0.47 0.00 0.00 55.73 54.47 1ghu s ARG 86 Cb -0.16 -2.84 -0.08 0.00 -0.57 0.00 0.00 34.95 31.29 1ghu s ARG 86 CO 0.12 0.54 0.81 -2.00 -1.08 0.00 0.00 175.30 173.69 1ghu s GLU 87 N -2.83 4.59 0.00 3.89 2.12 -1.06 -1.23 118.70 124.17 1ghu s GLU 87 Ca 0.32 1.20 0.10 0.00 0.36 0.00 0.00 54.97 56.96 1ghu s GLU 87 Cb -0.11 -3.19 0.59 0.00 0.26 0.00 0.00 34.13 31.68 1ghu s GLU 87 CO 0.25 0.52 1.02 0.43 -0.54 0.00 0.00 175.26 176.94 1ghu n SER 88 N 1.40 0.00 0.00 -1.70 7.64 -0.78 -3.94 113.62 116.24 1ghu n SER 88 Ca -0.04 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.46 1ghu n SER 88 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1ghu n SER 88 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ghu n GLU 89 N -0.95 0.00 -0.21 1.43 2.13 -1.26 -4.27 120.64 117.50 1ghu n GLU 89 Ca 0.07 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.83 1ghu n GLU 89 Cb 0.03 0.00 0.08 0.00 0.27 0.00 0.00 31.44 31.82 1ghu n GLU 89 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1ghu h SER 90 N 0.00 1.00 -3.57 4.31 0.02 -1.98 -3.40 113.55 109.93 1ghu h SER 90 Ca 0.00 -0.22 -0.69 0.00 -0.84 0.00 0.00 61.79 60.04 1ghu h SER 90 Cb 0.00 -0.26 -0.34 0.00 0.14 0.00 0.00 62.40 61.94 1ghu h SER 90 CO 0.00 0.98 -0.59 0.00 -1.14 0.00 0.00 176.83 176.08 1ghu s ALA 91 N -5.21 3.06 0.45 3.77 0.00 -1.26 -5.02 121.76 117.54 1ghu s ALA 91 Ca -0.11 -2.30 0.12 0.00 0.00 0.00 0.00 51.96 49.66 1ghu s ALA 91 Cb 0.15 -2.28 1.03 0.00 0.00 0.00 0.00 23.12 22.02 1ghu s ALA 91 CO 0.84 -1.64 2.06 -1.35 0.00 0.00 0.00 175.76 175.66 1ghu h PRO 92 N 8.03 0.35 -1.89 0.00 0.11 -1.94 -3.00 132.00 133.66 1ghu h PRO 92 Ca -0.15 -0.02 -0.34 0.00 0.11 0.00 0.00 66.00 65.60 1ghu h PRO 92 Cb 1.05 -0.08 -0.13 0.00 0.11 0.00 0.00 31.00 31.96 1ghu h PRO 92 CO 0.65 0.23 0.17 0.41 -0.21 0.00 0.00 178.00 179.24 1ghu n GLY 93 N -1.51 3.79 3.64 -0.55 0.00 -1.26 -4.82 105.19 104.48 1ghu n GLY 93 Ca 0.04 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.60 1ghu n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ghu s ASP 94 N 0.87 -0.89 0.50 1.61 -1.08 -1.13 -4.51 116.67 112.05 1ghu s ASP 94 Ca 0.49 1.49 0.05 0.00 -0.52 0.00 0.00 52.55 54.07 1ghu s ASP 94 Cb 0.30 1.41 0.01 0.00 -1.46 0.00 0.00 42.92 43.18 1ghu s ASP 94 CO -0.10 -0.24 0.28 -0.36 0.52 0.00 0.00 175.17 175.27 1ghu s PHE 95 N 1.28 1.94 -0.19 -5.34 0.40 -1.09 -1.87 117.98 113.11 1ghu s PHE 95 Ca -0.07 -0.79 -0.07 0.00 -0.60 0.00 0.00 56.93 55.40 1ghu s PHE 95 Cb -0.05 -1.88 0.08 0.00 0.51 0.00 0.00 43.02 41.68 1ghu s PHE 95 CO -0.14 -0.18 0.40 -1.12 0.70 0.00 0.00 175.22 174.88 1ghu s SER 96 N -4.12 -0.23 -0.36 1.36 0.01 -0.37 -1.30 113.70 108.70 1ghu s SER 96 Ca 0.31 0.94 -0.29 0.00 1.31 0.00 0.00 55.95 58.22 1ghu s SER 96 Cb -0.00 1.21 0.02 0.00 0.21 0.00 0.00 66.02 67.45 1ghu s SER 96 CO 0.18 -0.23 1.10 -0.22 0.41 0.00 0.00 173.24 174.48 1ghu s LEU 97 N 2.43 3.86 -0.62 2.44 2.96 -0.54 -1.85 118.68 127.35 1ghu s LEU 97 Ca -0.03 0.92 -0.16 0.00 -0.22 0.00 0.00 54.13 54.64 1ghu s LEU 97 Cb -0.11 -3.54 0.15 0.00 0.50 0.00 0.00 46.19 43.18 1ghu s LEU 97 CO -0.12 -0.97 0.61 -0.44 -1.32 0.00 0.00 176.35 174.10 1ghu s SER 98 N 1.87 6.33 -0.19 3.68 0.01 -0.50 -1.48 113.70 123.42 1ghu s SER 98 Ca 0.46 -1.94 -0.04 0.00 1.31 0.00 0.00 55.95 55.74 1ghu s SER 98 Cb -0.11 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.87 1ghu s SER 98 CO 0.19 -0.84 -0.03 0.54 0.41 0.00 0.00 173.24 173.51 1ghu s VAL 99 N 1.48 3.70 0.26 3.43 0.11 -0.98 -1.77 120.40 126.62 1ghu s VAL 99 Ca 0.08 -0.41 -0.30 0.00 -2.93 0.00 0.00 61.98 58.43 1ghu s VAL 99 Cb -0.24 -2.65 -0.09 0.00 -1.53 0.00 0.00 36.38 31.87 1ghu s VAL 99 CO 0.01 0.45 1.05 -0.75 -3.33 0.00 0.00 175.10 172.52 1ghu s LYS 100 N 0.92 4.71 0.22 1.54 2.36 -0.70 -1.26 119.74 127.52 1ghu s LYS 100 Ca -0.00 1.70 -0.01 0.00 -2.55 0.00 0.00 55.97 55.11 1ghu s LYS 100 Cb -0.15 -3.22 -0.04 0.00 -1.05 0.00 0.00 37.83 33.38 1ghu s LYS 100 CO 0.01 0.31 0.16 0.12 1.55 0.00 0.00 175.35 177.51 1ghu s PHE 101 N -1.15 1.17 -0.07 4.03 5.36 -0.68 -1.34 117.98 125.30 1ghu s PHE 101 Ca 0.43 -1.37 -0.29 0.00 -0.96 0.00 0.00 56.93 54.74 1ghu s PHE 101 Cb -0.30 -0.53 -0.07 0.00 -0.34 0.00 0.00 43.02 41.78 1ghu s PHE 101 CO 0.38 -0.68 2.06 0.20 -1.46 0.00 0.00 175.22 175.72 1ghu s GLY 102 N -3.17 1.07 0.00 13.12 0.00 -1.26 -2.68 107.32 114.40 1ghu s GLY 102 Ca 0.38 1.09 0.00 0.00 0.00 0.00 0.00 44.72 46.19 1ghu s GLY 102 CO 0.13 3.60 0.00 0.70 0.00 0.00 0.00 173.10 177.53 1ghu n ASN 103 N 9.24 0.00 -3.78 1.64 4.13 -1.26 -5.00 115.26 120.23 1ghu n ASN 103 Ca 0.24 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.37 1ghu n ASN 103 Cb 0.43 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.56 1ghu n ASN 103 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1ghu s ASP 104 N -0.43 -0.28 -0.34 6.41 1.01 -1.09 -5.13 116.67 116.82 1ghu s ASP 104 Ca 0.00 0.54 -0.17 0.00 0.71 0.00 0.00 52.55 53.63 1ghu s ASP 104 Cb 0.00 0.56 -0.01 0.00 1.01 0.00 0.00 42.92 44.48 1ghu s ASP 104 CO 0.00 -0.11 0.45 -0.69 0.21 0.00 0.00 175.17 175.03 1ghu s VAL 105 N 0.09 5.08 -0.34 -1.27 1.01 -1.26 -1.69 120.40 122.02 1ghu s VAL 105 Ca -0.01 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 1ghu s VAL 105 Cb -0.02 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1ghu s VAL 105 CO 0.00 -0.13 0.48 -1.10 0.00 0.00 0.00 175.10 174.36 1ghu s GLN 106 N 2.24 3.65 -0.35 2.72 -0.21 -0.39 -4.91 119.66 122.40 1ghu s GLN 106 Ca 0.16 -0.17 -0.14 0.00 0.02 0.00 0.00 55.36 55.23 1ghu s GLN 106 Cb -0.16 -3.79 -0.01 0.00 1.00 0.00 0.00 33.01 30.05 1ghu s GLN 106 CO 0.12 -0.59 0.31 -1.01 -2.12 0.00 0.00 175.29 172.00 1ghu s HIS 107 N 2.31 3.22 -0.13 0.91 3.76 -1.26 -2.32 115.29 121.77 1ghu s HIS 107 Ca 0.17 -0.17 -0.01 0.00 -0.15 0.00 0.00 55.06 54.89 1ghu s HIS 107 Cb -0.16 -2.60 -0.02 0.00 1.11 0.00 0.00 32.58 30.91 1ghu s HIS 107 CO 0.13 -0.44 -0.08 -0.06 -0.85 0.00 0.00 174.74 173.44 1ghu s PHE 108 N 1.88 2.92 -0.26 1.40 0.08 -0.55 -5.01 117.98 118.44 1ghu s PHE 108 Ca 0.09 -0.40 -0.24 0.00 0.12 0.00 0.00 56.93 56.49 1ghu s PHE 108 Cb -0.17 -1.87 -0.00 0.00 -0.57 0.00 0.00 43.02 40.40 1ghu s PHE 108 CO 0.11 -0.06 0.83 0.21 -0.10 0.00 0.00 175.22 176.21 1ghu s LYS 109 N 0.19 4.14 -0.43 0.44 2.20 -1.26 -1.47 119.74 123.55 1ghu s LYS 109 Ca -0.05 0.88 -0.23 0.00 -0.36 0.00 0.00 55.97 56.21 1ghu s LYS 109 Cb -0.14 -3.66 0.02 0.00 -1.51 0.00 0.00 37.83 32.54 1ghu s LYS 109 CO 0.04 -0.56 0.77 0.08 -0.36 0.00 0.00 175.35 175.32 1ghu s VAL 110 N 2.88 4.68 -0.19 4.02 1.01 -0.42 -4.69 120.40 127.70 1ghu s VAL 110 Ca 0.35 0.49 -0.16 0.00 0.00 0.00 0.00 61.98 62.65 1ghu s VAL 110 Cb -0.15 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1ghu s VAL 110 CO 0.08 -0.65 0.42 -0.76 0.00 0.00 0.00 175.10 174.20 1ghu s LEU 111 N 3.21 4.18 0.16 3.92 1.43 -0.89 -2.68 118.68 128.02 1ghu s LEU 111 Ca 0.30 0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 53.95 1ghu s LEU 111 Cb -0.12 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 1ghu s LEU 111 CO 0.21 -0.07 0.37 -0.13 0.23 0.00 0.00 176.35 176.97 1ghu s ARG 112 N 1.21 3.57 -0.10 1.70 0.52 -1.26 -1.78 118.95 122.81 1ghu s ARG 112 Ca 0.21 -0.21 -0.26 0.00 -0.52 0.00 0.00 55.73 54.95 1ghu s ARG 112 Cb -0.15 -2.85 -0.28 0.00 0.52 0.00 0.00 34.95 32.19 1ghu s ARG 112 CO 0.08 0.44 0.84 0.38 0.02 0.00 0.00 175.30 177.06 1ghu h ASP 113 N 2.49 0.19 0.00 0.23 2.03 -1.92 -3.49 116.42 115.95 1ghu h ASP 113 Ca -0.47 -0.97 0.00 0.00 -0.73 0.00 0.00 57.03 54.87 1ghu h ASP 113 Cb 1.17 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.61 1ghu h ASP 113 CO 0.71 1.15 0.00 0.61 -1.03 0.00 0.00 179.24 180.68 1ghu n GLY 114 N 1.59 -1.88 0.15 7.15 0.00 -1.26 -5.03 105.19 105.91 1ghu n GLY 114 Ca -0.11 0.64 -0.05 0.00 0.00 0.00 0.00 46.02 46.49 1ghu n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ghu h ALA 115 N 0.00 -0.57 0.00 4.61 0.00 -2.03 -3.48 119.26 117.80 1ghu h ALA 115 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ghu h ALA 115 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ghu h ALA 115 CO 0.00 -0.54 0.00 0.41 0.00 0.00 0.00 179.25 179.12 1ghu n GLY 116 N 0.34 -1.93 2.64 0.00 0.00 -1.26 -5.14 105.19 99.84 1ghu n GLY 116 Ca -0.04 0.97 -0.27 0.00 0.00 0.00 0.00 46.02 46.67 1ghu n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ghu s LYS 117 N 0.00 0.26 -0.28 1.61 -0.14 -1.26 -4.71 119.74 115.23 1ghu s LYS 117 Ca 0.00 -0.30 -0.17 0.00 -1.36 0.00 0.00 55.97 54.14 1ghu s LYS 117 Cb 0.00 -1.79 -0.02 0.00 -1.68 0.00 0.00 37.83 34.33 1ghu s LYS 117 CO 0.00 -0.74 0.49 0.71 -0.76 0.00 0.00 175.35 175.05 1ghu s TYR 118 N 2.04 3.24 -0.22 3.18 1.51 -0.55 -3.22 117.35 123.33 1ghu s TYR 118 Ca 0.03 0.51 0.00 0.00 -1.01 0.00 0.00 57.07 56.60 1ghu s TYR 118 Cb -0.16 -2.74 0.06 0.00 -0.11 0.00 0.00 41.96 39.01 1ghu s TYR 118 CO -0.14 -0.32 -0.04 -0.59 -1.11 0.00 0.00 175.55 173.34 1ghu s PHE 119 N 2.29 2.14 -0.23 2.71 -0.71 -0.73 -2.11 117.98 121.34 1ghu s PHE 119 Ca 0.20 -1.56 -0.16 0.00 -1.04 0.00 0.00 56.93 54.37 1ghu s PHE 119 Cb -0.16 -1.48 -0.10 0.00 -1.21 0.00 0.00 43.02 40.08 1ghu s PHE 119 CO 0.10 -0.74 -0.28 -0.11 -1.34 0.00 0.00 175.22 172.86 1ghu n LEU 120 N 4.74 1.93 0.00 -1.99 0.00 -1.26 -2.10 117.00 118.33 1ghu n LEU 120 Ca -0.12 0.37 0.00 0.00 0.00 0.00 0.00 56.01 56.27 1ghu n LEU 120 Cb 0.45 -0.81 0.00 0.00 0.00 0.00 0.00 43.42 43.05 1ghu n LEU 120 CO 0.17 0.16 0.00 1.87 0.00 0.00 0.00 177.39 179.60 1ghu n TRP 121 N -4.37 0.00 0.11 1.96 -0.00 -1.26 -4.95 117.44 108.93 1ghu n TRP 121 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.16 1ghu n TRP 121 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.00 1ghu n TRP 121 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1ghu n VAL 122 N 0.00 0.41 -2.67 5.87 0.31 -1.26 -5.06 118.33 115.93 1ghu n VAL 122 Ca 0.00 0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 64.04 1ghu n VAL 122 Cb 0.00 -0.85 -0.03 0.00 -0.91 0.00 0.00 33.84 32.05 1ghu n VAL 122 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1ghu s VAL 123 N -1.97 4.76 0.03 2.52 -7.23 -1.26 -5.02 120.40 112.23 1ghu s VAL 123 Ca 0.00 1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 61.86 1ghu s VAL 123 Cb 0.00 -4.28 -0.04 0.00 0.56 0.00 0.00 36.38 32.63 1ghu s VAL 123 CO 0.00 0.11 0.97 -0.75 -0.31 0.00 0.00 175.10 175.12 1ghu s LYS 124 N 1.34 4.60 0.14 4.82 2.20 -1.26 -4.80 119.74 126.77 1ghu s LYS 124 Ca 0.52 1.43 0.04 0.00 -0.36 0.00 0.00 55.97 57.60 1ghu s LYS 124 Cb -0.21 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1ghu s LYS 124 CO 0.25 0.03 0.13 -0.06 -0.36 0.00 0.00 175.35 175.34 1ghu s PHE 125 N 0.69 3.19 -0.07 4.03 0.08 -0.90 -5.01 117.98 120.00 1ghu s PHE 125 Ca 0.50 0.03 -0.19 0.00 0.12 0.00 0.00 56.93 57.38 1ghu s PHE 125 Cb -0.22 -1.56 -0.15 0.00 -0.57 0.00 0.00 43.02 40.52 1ghu s PHE 125 CO 0.29 0.52 0.75 -0.97 -0.10 0.00 0.00 175.22 175.71 1ghu h ASN 126 N 2.68 -0.14 -1.90 1.36 -1.24 -1.88 -1.47 115.58 112.98 1ghu h ASN 126 Ca -0.47 -0.39 -0.61 0.00 0.71 0.00 0.00 56.30 55.54 1ghu h ASN 126 Cb 1.19 0.04 -0.13 0.00 0.73 0.00 0.00 38.32 40.14 1ghu h ASN 126 CO 0.65 0.46 -0.63 -0.94 -1.29 0.00 0.00 177.43 175.68 1ghu s SER 127 N -5.57 3.69 0.31 1.15 1.04 -1.26 -4.04 113.70 109.02 1ghu s SER 127 Ca -0.12 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.01 1ghu s SER 127 Cb -0.00 -0.35 0.49 0.00 0.10 0.00 0.00 66.02 66.26 1ghu s SER 127 CO 0.44 -0.37 1.89 -0.07 0.98 0.00 0.00 173.24 176.11 1ghu h LEU 128 N 1.90 0.72 -1.04 2.42 3.38 -1.94 -2.82 115.31 117.92 1ghu h LEU 128 Ca -0.43 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 1ghu h LEU 128 Cb 1.24 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1ghu h LEU 128 CO 0.76 0.67 0.33 -0.55 0.09 0.00 0.00 178.44 179.73 1ghu h ASN 129 N 0.78 0.91 -0.36 -0.43 7.08 -1.99 -2.26 115.58 119.31 1ghu h ASN 129 Ca 0.18 -0.10 -0.01 0.00 -3.08 0.00 0.00 56.30 53.29 1ghu h ASN 129 Cb 0.18 -0.23 -0.02 0.00 -2.08 0.00 0.00 38.32 36.17 1ghu h ASN 129 CO -0.01 0.78 0.17 -0.33 -2.08 0.00 0.00 177.43 175.96 1ghu h GLU 130 N 1.00 0.51 -0.56 4.14 4.39 -1.95 -1.34 114.58 120.76 1ghu h GLU 130 Ca 0.24 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.94 1ghu h GLU 130 Cb 0.12 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 1ghu h GLU 130 CO -0.03 0.46 0.26 1.25 -1.16 0.00 0.00 179.01 179.78 1ghu h LEU 131 N 0.44 0.33 0.89 1.33 5.85 -1.49 -2.71 115.31 119.94 1ghu h LEU 131 Ca 0.12 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1ghu h LEU 131 Cb 0.11 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.15 1ghu h LEU 131 CO -0.02 0.21 -0.43 0.58 -0.34 0.00 0.00 178.44 178.45 1ghu h VAL 132 N 0.48 0.00 -0.16 1.05 2.07 -1.39 -3.21 116.25 115.09 1ghu h VAL 132 Ca 0.26 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.83 1ghu h VAL 132 Cb 0.24 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1ghu h VAL 132 CO -0.22 0.00 0.11 -2.24 0.02 0.00 0.00 177.57 175.24 1ghu h ASP 133 N -1.19 0.00 0.43 0.57 3.04 -1.26 -2.27 116.42 115.74 1ghu h ASP 133 Ca -0.12 -0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.65 1ghu h ASP 133 Cb 0.91 -0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.21 1ghu h ASP 133 CO 0.20 0.00 -0.21 0.22 -2.04 0.00 0.00 179.24 177.42 1ghu h TYR 134 N 0.00 -0.53 0.00 4.15 3.20 -1.59 -3.32 116.97 118.87 1ghu h TYR 134 Ca 0.07 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1ghu h TYR 134 Cb 0.29 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1ghu h TYR 134 CO -0.00 -0.22 0.00 0.72 -1.64 0.00 0.00 178.16 177.02 1ghu n HIS 135 N -5.24 0.00 -0.34 -3.82 8.25 -1.02 -2.88 115.22 110.16 1ghu n HIS 135 Ca -0.11 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.54 1ghu n HIS 135 Cb 0.29 -0.45 0.40 0.00 1.12 0.00 0.00 29.99 31.35 1ghu n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ghu h ARG 136 N 0.00 0.55 0.00 -0.41 -0.00 -1.52 -2.94 114.38 110.06 1ghu h ARG 136 Ca 0.00 -0.03 -0.25 0.00 -0.50 0.00 0.00 59.98 59.20 1ghu h ARG 136 Cb 0.26 -0.12 -0.05 0.00 0.00 0.00 0.00 29.97 30.06 1ghu h ARG 136 CO 0.00 0.36 -1.94 0.43 0.00 0.00 0.00 179.97 178.83 1ghu n SER 137 N -4.84 1.62 -4.85 7.04 7.64 -1.23 -3.97 113.62 115.02 1ghu n SER 137 Ca 0.27 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.81 1ghu n SER 137 Cb 0.76 0.85 -0.06 0.00 -1.01 0.00 0.00 64.21 64.76 1ghu n SER 137 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ghu s THR 138 N -2.34 4.86 -0.13 0.44 2.01 -1.14 -4.97 115.64 114.36 1ghu s THR 138 Ca -0.07 0.72 -0.29 0.00 0.31 0.00 0.00 61.69 62.36 1ghu s THR 138 Cb 0.04 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 1ghu s THR 138 CO 0.56 0.09 1.13 -0.55 -0.69 0.00 0.00 174.62 175.16 1ghu s SER 139 N -2.00 7.09 0.34 3.53 0.15 -1.26 -4.46 113.70 117.08 1ghu s SER 139 Ca 0.43 1.61 0.11 0.00 0.70 0.00 0.00 55.95 58.80 1ghu s SER 139 Cb -0.13 -2.55 0.60 0.00 -1.71 0.00 0.00 66.02 62.23 1ghu s SER 139 CO 0.20 -0.61 1.77 1.62 1.20 0.00 0.00 173.24 177.41 1ghu h VAL 140 N 5.25 1.30 0.22 4.45 3.04 -1.86 -3.37 116.25 125.27 1ghu h VAL 140 Ca -0.28 -1.44 -0.29 0.00 -1.01 0.00 0.00 66.70 63.68 1ghu h VAL 140 Cb 1.12 1.73 0.03 0.00 -2.01 0.00 0.00 31.29 32.17 1ghu h VAL 140 CO 0.92 0.42 -1.28 0.28 -1.01 0.00 0.00 177.57 176.89 1ghu h SER 141 N 0.06 0.75 -4.14 3.17 0.02 -1.85 -3.49 113.55 108.09 1ghu h SER 141 Ca 0.00 -0.92 -0.16 0.00 -0.84 0.00 0.00 61.79 59.87 1ghu h SER 141 Cb 0.75 -0.24 0.10 0.00 0.14 0.00 0.00 62.40 63.14 1ghu h SER 141 CO 0.06 1.62 -0.44 0.54 -1.14 0.00 0.00 176.83 177.46 1ghu n ARG 142 N -3.84 -2.68 0.00 3.45 5.12 -1.26 -4.95 116.66 112.51 1ghu n ARG 142 Ca -0.16 0.47 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 1ghu n ARG 142 Cb 1.02 -4.16 0.00 0.00 -1.16 0.00 0.00 32.46 28.16 1ghu n ARG 142 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1ghu n ASN 143 N -2.28 0.00 -4.96 0.55 5.15 -1.26 -5.14 115.26 107.32 1ghu n ASN 143 Ca -0.11 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.65 1ghu n ASN 143 Cb 0.58 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.83 1ghu n ASN 143 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1ghu s GLN 144 N 0.00 3.21 -0.79 1.20 -0.21 -1.26 -5.06 119.66 116.75 1ghu s GLN 144 Ca 0.00 -0.63 -0.26 0.00 0.02 0.00 0.00 55.36 54.49 1ghu s GLN 144 Cb 0.00 -2.69 0.03 0.00 1.00 0.00 0.00 33.01 31.35 1ghu s GLN 144 CO 0.00 -0.01 1.32 1.14 -2.12 0.00 0.00 175.29 175.62 1ghu s GLN 145 N -4.33 3.25 -0.51 2.91 -2.07 -1.26 -4.67 119.66 112.98 1ghu s GLN 145 Ca 0.44 -0.38 -0.14 0.00 -1.82 0.00 0.00 55.36 53.46 1ghu s GLN 145 Cb -0.10 -4.39 0.12 0.00 -1.09 0.00 0.00 33.01 27.55 1ghu s GLN 145 CO 0.35 -2.17 0.43 0.42 -1.32 0.00 0.00 175.29 172.99 1ghu s ILE 146 N 5.67 4.86 -0.18 3.63 1.09 -1.26 -5.01 121.20 130.01 1ghu s ILE 146 Ca 0.38 -1.54 -0.04 0.00 -1.10 0.00 0.00 60.65 58.35 1ghu s ILE 146 Cb -0.07 -4.11 -0.02 0.00 -1.06 0.00 0.00 42.46 37.20 1ghu s ILE 146 CO 0.11 -0.80 -0.04 -0.36 -0.10 0.00 0.00 174.94 173.75 1ghu s PHE 147 N 1.52 2.98 -0.09 3.97 0.08 -1.26 -3.34 117.98 121.84 1ghu s PHE 147 Ca 0.04 -0.52 -0.30 0.00 0.12 0.00 0.00 56.93 56.27 1ghu s PHE 147 Cb -0.28 -2.01 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 1ghu s PHE 147 CO 0.02 -0.22 1.39 -0.51 -0.10 0.00 0.00 175.22 175.80 1ghu s LEU 148 N 0.77 4.25 0.14 -0.37 1.02 -1.11 -4.29 118.68 119.09 1ghu s LEU 148 Ca -0.02 1.93 0.07 0.00 0.02 0.00 0.00 54.13 56.14 1ghu s LEU 148 Cb -0.15 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.48 1ghu s LEU 148 CO 0.02 -0.78 -0.17 -0.13 0.02 0.00 0.00 176.35 175.31 1ghu s ARG 149 N 3.30 1.15 0.42 1.70 1.81 -0.54 -4.56 118.95 122.23 1ghu s ARG 149 Ca 0.61 -1.30 -0.23 0.00 -1.72 0.00 0.00 55.73 53.09 1ghu s ARG 149 Cb -0.27 -1.16 -0.09 0.00 -0.45 0.00 0.00 34.95 32.98 1ghu s ARG 149 CO 0.21 0.24 1.04 -0.51 -0.68 0.00 0.00 175.30 175.60 1ghu s ASP 150 N -2.47 6.66 0.73 0.23 1.01 -1.26 -2.72 116.67 118.85 1ghu s ASP 150 Ca 0.12 1.99 -0.12 0.00 0.71 0.00 0.00 52.55 55.24 1ghu s ASP 150 Cb -0.06 -2.58 0.04 0.00 1.01 0.00 0.00 42.92 41.33 1ghu s ASP 150 CO 0.05 -0.56 1.10 0.27 0.21 0.00 0.00 175.17 176.24 1ghu s ILE 151 N -1.77 3.24 -2.52 0.77 -0.00 -1.26 -4.79 121.20 114.86 1ghu s ILE 151 Ca 0.61 0.47 0.28 0.00 -0.00 0.00 0.00 60.65 62.00 1ghu s ILE 151 Cb -0.20 -2.96 0.54 0.00 -0.00 0.00 0.00 42.46 39.85 1ghu s ILE 151 CO 0.25 -0.46 1.73 1.21 -0.00 0.00 0.00 174.94 177.66