#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 6.19 0.08 1.61 1.04 -1.26 -4.84 113.70 116.51 1ghu s SER 59 Ca 0.00 -1.33 -0.13 0.00 0.48 0.00 0.00 55.95 54.97 1ghu s SER 59 Cb 0.00 -2.31 -0.23 0.00 0.10 0.00 0.00 66.02 63.57 1ghu s SER 59 CO 0.00 -1.13 1.18 4.11 0.98 0.00 0.00 173.24 178.38 1ghu h TRP 60 N 9.21 0.98 -3.37 5.02 5.08 -1.98 -3.46 115.95 127.42 1ghu h TRP 60 Ca -0.29 -0.56 -0.56 0.00 1.08 0.00 0.00 58.89 58.56 1ghu h TRP 60 Cb 1.09 -0.10 -0.04 0.00 -3.00 0.00 0.00 29.16 27.10 1ghu h TRP 60 CO 0.84 1.40 0.22 0.12 -1.28 0.00 0.00 178.44 179.74 1ghu s PHE 61 N -3.20 3.59 -0.28 0.12 5.36 -1.26 -2.85 117.98 119.46 1ghu s PHE 61 Ca -0.09 1.41 -0.02 0.00 -0.96 0.00 0.00 56.93 57.26 1ghu s PHE 61 Cb 0.07 -2.94 0.09 0.00 -0.34 0.00 0.00 43.02 39.90 1ghu s PHE 61 CO 0.92 0.02 0.10 -0.06 -1.46 0.00 0.00 175.22 174.73 1ghu s PHE 62 N 1.03 1.06 -0.50 10.12 0.08 -1.19 -4.99 117.98 123.59 1ghu s PHE 62 Ca 0.43 -1.25 -0.29 0.00 0.12 0.00 0.00 56.93 55.94 1ghu s PHE 62 Cb -0.19 -1.28 0.03 0.00 -0.57 0.00 0.00 43.02 41.00 1ghu s PHE 62 CO 0.21 -0.81 1.22 0.20 -0.10 0.00 0.00 175.22 175.94 1ghu s GLY 63 N 1.84 1.18 -0.29 4.36 0.00 -1.26 -4.11 107.32 109.05 1ghu s GLY 63 Ca 0.08 -0.52 -0.11 0.00 0.00 0.00 0.00 44.72 44.17 1ghu s GLY 63 CO -0.26 2.53 0.40 1.17 0.00 0.00 0.00 173.10 176.94 1ghu n LYS 64 N 8.10 -1.65 -4.70 2.90 3.00 -1.26 -4.93 118.16 119.62 1ghu n LYS 64 Ca 0.12 1.62 -0.26 0.00 -0.00 0.00 0.00 58.31 59.80 1ghu n LYS 64 Cb 0.49 -4.35 -0.17 0.00 0.00 0.00 0.00 35.03 31.00 1ghu n LYS 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1ghu s ILE 65 N -2.07 1.29 0.47 3.15 -1.16 -1.26 -4.98 121.20 116.65 1ghu s ILE 65 Ca 0.17 -0.58 -0.24 0.00 -0.51 0.00 0.00 60.65 59.49 1ghu s ILE 65 Cb -0.05 -1.16 -0.07 0.00 0.61 0.00 0.00 42.46 41.79 1ghu s ILE 65 CO 0.53 0.39 1.32 -2.16 -2.81 0.00 0.00 174.94 172.20 1ghu s PRO 66 N 0.55 3.58 0.27 3.50 0.04 -1.26 -4.80 135.00 136.88 1ghu s PRO 66 Ca -0.14 2.16 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 1ghu s PRO 66 Cb -0.16 -2.49 0.34 0.00 0.04 0.00 0.00 34.50 32.24 1ghu s PRO 66 CO 0.04 -0.82 1.94 -0.09 0.04 0.00 0.00 177.00 178.12 1ghu h ARG 67 N 2.05 1.22 -0.31 4.56 2.43 -1.99 -2.10 114.38 120.24 1ghu h ARG 67 Ca -0.50 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 58.56 1ghu h ARG 67 Cb 1.27 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1ghu h ARG 67 CO 0.60 0.81 0.07 0.00 -1.51 0.00 0.00 179.97 179.94 1ghu h ALA 68 N 1.42 0.41 -0.55 2.80 0.00 -2.00 -2.09 119.26 119.25 1ghu h ALA 68 Ca 0.35 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1ghu h ALA 68 Cb -0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1ghu h ALA 68 CO -0.08 0.09 0.19 -0.22 0.00 0.00 0.00 179.25 179.22 1ghu h LYS 69 N 0.34 0.82 -0.54 0.00 3.64 -1.93 -2.19 116.57 116.71 1ghu h LYS 69 Ca 0.10 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1ghu h LYS 69 Cb 0.31 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1ghu h LYS 69 CO 0.00 0.70 0.30 0.00 -2.27 0.00 0.00 179.45 178.18 1ghu h ALA 70 N 1.41 0.69 -0.55 5.00 0.00 -1.36 -2.67 119.26 121.78 1ghu h ALA 70 Ca 0.19 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1ghu h ALA 70 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ghu h ALA 70 CO -0.01 0.21 -0.02 0.93 0.00 0.00 0.00 179.25 180.35 1ghu h GLU 71 N 0.73 0.97 -0.41 0.00 5.08 -1.33 -2.77 114.58 116.84 1ghu h GLU 71 Ca 0.19 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1ghu h GLU 71 Cb 0.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1ghu h GLU 71 CO -0.03 0.97 0.05 0.93 -1.00 0.00 0.00 179.01 179.93 1ghu h GLU 72 N 0.88 0.69 -0.41 2.33 4.39 -1.42 -2.18 114.58 118.85 1ghu h GLU 72 Ca 0.16 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 1ghu h GLU 72 Cb 0.55 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1ghu h GLU 72 CO 0.03 0.74 -0.01 0.52 -1.16 0.00 0.00 179.01 179.12 1ghu h MET 73 N 0.53 0.74 -0.05 2.33 2.86 -1.55 -3.12 114.93 116.67 1ghu h MET 73 Ca 0.12 -0.24 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 1ghu h MET 73 Cb 0.39 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1ghu h MET 73 CO 0.01 0.83 -0.48 -0.07 1.06 0.00 0.00 176.91 178.26 1ghu h LEU 74 N 0.57 0.14 -1.30 1.22 3.38 -1.58 -3.13 115.31 114.62 1ghu h LEU 74 Ca 0.12 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ghu h LEU 74 Cb 0.50 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1ghu h LEU 74 CO 0.02 0.60 0.25 0.77 0.09 0.00 0.00 178.44 180.17 1ghu h SER 75 N 0.10 0.66 -0.34 -0.43 4.64 -1.44 -2.89 113.55 113.85 1ghu h SER 75 Ca 0.00 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 1ghu h SER 75 Cb 0.88 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 1ghu h SER 75 CO 0.07 0.56 0.09 0.11 -0.87 0.00 0.00 176.83 176.79 1ghu h LYS 76 N 0.73 0.63 -6.34 4.77 1.57 -1.50 -3.43 116.57 113.01 1ghu h LYS 76 Ca 0.18 -0.11 -0.54 0.00 -1.87 0.00 0.00 60.65 58.31 1ghu h LYS 76 Cb 0.08 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.30 1ghu h LYS 76 CO -0.02 0.58 1.14 -0.65 -0.57 0.00 0.00 179.45 179.93 1ghu s GLN 77 N -5.14 4.16 0.44 3.15 1.11 -1.09 -4.95 119.66 117.34 1ghu s GLN 77 Ca -0.08 2.40 0.30 0.00 0.01 0.00 0.00 55.36 57.99 1ghu s GLN 77 Cb 0.16 -3.99 1.20 0.00 -1.01 0.00 0.00 33.01 29.36 1ghu s GLN 77 CO 0.77 -0.88 1.88 0.07 0.01 0.00 0.00 175.29 177.14 1ghu h ARG 78 N 9.78 0.00 -6.41 2.91 0.11 -1.84 -3.48 114.38 115.45 1ghu h ARG 78 Ca -0.44 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.09 1ghu h ARG 78 Cb 1.21 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.25 1ghu h ARG 78 CO 0.94 0.00 -0.05 -1.01 0.10 0.00 0.00 179.97 179.95 1ghu s HIS 79 N -3.52 3.55 -0.46 4.08 3.76 -1.26 -5.05 115.29 116.38 1ghu s HIS 79 Ca 0.03 1.07 -0.28 0.00 -0.15 0.00 0.00 55.06 55.72 1ghu s HIS 79 Cb 0.09 -2.39 0.03 0.00 1.11 0.00 0.00 32.58 31.42 1ghu s HIS 79 CO 0.50 0.35 1.10 -0.51 -0.85 0.00 0.00 174.74 175.33 1ghu s ASP 80 N -1.91 6.64 0.00 1.40 1.11 -1.26 -3.07 116.67 119.57 1ghu s ASP 80 Ca 0.42 0.46 0.00 0.00 0.18 0.00 0.00 52.55 53.61 1ghu s ASP 80 Cb -0.14 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.32 1ghu s ASP 80 CO 0.20 -1.20 0.00 0.61 1.18 0.00 0.00 175.17 175.96 1ghu n GLY 81 N 4.79 2.03 3.62 0.21 0.00 -0.08 -4.74 105.19 111.01 1ghu n GLY 81 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.99 3.06 0.32 4.61 0.00 -1.13 -1.70 121.76 124.93 1ghu s ALA 82 Ca 0.00 0.72 0.05 0.00 0.00 0.00 0.00 51.96 52.72 1ghu s ALA 82 Cb 0.00 -3.96 -0.06 0.00 0.00 0.00 0.00 23.12 19.09 1ghu s ALA 82 CO 0.00 -2.31 0.02 -0.59 0.00 0.00 0.00 175.76 172.88 1ghu s PHE 83 N 6.51 2.01 -0.14 0.00 -0.71 -1.16 -1.34 117.98 123.14 1ghu s PHE 83 Ca 0.87 -0.86 -0.10 0.00 -1.04 0.00 0.00 56.93 55.80 1ghu s PHE 83 Cb -0.31 -1.28 0.05 0.00 -1.21 0.00 0.00 43.02 40.26 1ghu s PHE 83 CO 0.35 0.12 0.35 -0.48 -1.34 0.00 0.00 175.22 174.22 1ghu s LEU 84 N -3.49 0.34 -0.39 -1.99 0.05 -0.76 -4.47 118.68 107.97 1ghu s LEU 84 Ca 0.34 0.74 -0.25 0.00 0.05 0.00 0.00 54.13 55.02 1ghu s LEU 84 Cb 0.08 1.17 0.02 0.00 -2.05 0.00 0.00 46.19 45.40 1ghu s LEU 84 CO 0.15 -0.16 0.87 -0.63 -0.55 0.00 0.00 176.35 176.03 1ghu s ILE 85 N 0.82 4.62 -0.05 1.48 1.01 -1.13 -2.01 121.20 125.94 1ghu s ILE 85 Ca -0.05 0.96 -0.13 0.00 0.00 0.00 0.00 60.65 61.43 1ghu s ILE 85 Cb -0.06 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 1ghu s ILE 85 CO -0.06 -0.57 0.33 -0.60 0.00 0.00 0.00 174.94 174.04 1ghu s ARG 86 N 3.39 3.84 -0.12 2.79 3.52 -0.81 -3.15 118.95 128.41 1ghu s ARG 86 Ca 0.35 0.25 -0.25 0.00 -0.13 0.00 0.00 55.73 55.95 1ghu s ARG 86 Cb -0.12 -3.24 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 1ghu s ARG 86 CO 0.20 0.66 0.82 -2.00 -0.81 0.00 0.00 175.30 174.17 1ghu s GLU 87 N -0.89 4.36 0.11 5.12 2.12 -1.26 -1.04 118.70 127.22 1ghu s GLU 87 Ca 0.21 1.03 -0.31 0.00 0.36 0.00 0.00 54.97 56.26 1ghu s GLU 87 Cb -0.15 -3.53 -0.08 0.00 0.26 0.00 0.00 34.13 30.63 1ghu s GLU 87 CO 0.10 -0.20 1.49 -1.12 -0.54 0.00 0.00 175.26 175.00 1ghu s SER 88 N 1.05 6.72 0.03 -1.70 0.01 -0.30 -4.42 113.70 115.08 1ghu s SER 88 Ca 0.40 2.42 -0.24 0.00 1.31 0.00 0.00 55.95 59.83 1ghu s SER 88 Cb -0.17 -2.58 -0.17 0.00 0.21 0.00 0.00 66.02 63.30 1ghu s SER 88 CO 0.16 -0.76 1.47 -0.33 0.41 0.00 0.00 173.24 174.19 1ghu h GLU 89 N 7.21 0.04 -0.73 12.44 5.08 -1.93 -3.19 114.58 133.50 1ghu h GLU 89 Ca -0.42 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 57.87 1ghu h GLU 89 Cb 1.20 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1ghu h GLU 89 CO 0.90 0.31 0.23 1.03 -1.00 0.00 0.00 179.01 180.48 1ghu h SER 90 N -0.24 1.06 -3.92 1.42 0.87 -1.99 -3.39 113.55 107.36 1ghu h SER 90 Ca 0.01 -0.21 -0.70 0.00 -1.23 0.00 0.00 61.79 59.66 1ghu h SER 90 Cb 0.30 -0.28 -0.35 0.00 -0.44 0.00 0.00 62.40 61.63 1ghu h SER 90 CO 0.00 0.98 -0.41 0.00 -0.53 0.00 0.00 176.83 176.87 1ghu s ALA 91 N -5.42 3.46 0.15 6.23 0.00 -1.21 -5.10 121.76 119.87 1ghu s ALA 91 Ca -0.12 -3.03 -0.30 0.00 0.00 0.00 0.00 51.96 48.50 1ghu s ALA 91 Cb 0.15 -2.61 -0.08 0.00 0.00 0.00 0.00 23.12 20.58 1ghu s ALA 91 CO 0.84 -2.01 1.26 -1.25 0.00 0.00 0.00 175.76 174.60 1ghu s PRO 92 N 0.33 4.42 0.00 0.00 0.04 -1.22 -2.73 135.00 135.85 1ghu s PRO 92 Ca 0.14 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1ghu s PRO 92 Cb -0.21 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1ghu s PRO 92 CO -0.04 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1ghu n GLY 93 N 2.69 2.99 3.75 0.56 0.00 -1.26 -5.06 105.19 108.85 1ghu n GLY 93 Ca 0.07 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 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 0.49 7.58 0.30 1.61 -1.08 -1.10 -4.98 116.67 119.48 1ghu s ASP 94 Ca 0.00 1.97 0.08 0.00 -0.52 0.00 0.00 52.55 54.08 1ghu s ASP 94 Cb 0.00 -2.61 -0.04 0.00 -1.46 0.00 0.00 42.92 38.81 1ghu s ASP 94 CO 0.00 0.09 0.14 -0.36 0.52 0.00 0.00 175.17 175.55 1ghu s PHE 95 N -1.01 2.82 -0.10 -5.34 0.08 -1.08 -1.15 117.98 112.19 1ghu s PHE 95 Ca 0.42 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 57.18 1ghu s PHE 95 Cb -0.26 -1.49 0.04 0.00 -0.57 0.00 0.00 43.02 40.73 1ghu s PHE 95 CO 0.33 0.43 0.03 -1.12 -0.10 0.00 0.00 175.22 174.79 1ghu s SER 96 N -3.82 1.83 -0.56 1.36 0.01 -0.21 -1.40 113.70 110.91 1ghu s SER 96 Ca 0.35 -0.25 -0.28 0.00 1.31 0.00 0.00 55.95 57.09 1ghu s SER 96 Cb -0.05 -0.40 0.03 0.00 0.21 0.00 0.00 66.02 65.81 1ghu s SER 96 CO 0.23 -0.24 1.20 -0.22 0.41 0.00 0.00 173.24 174.62 1ghu s LEU 97 N 2.00 3.47 -0.71 2.44 2.96 -0.48 -1.93 118.68 126.44 1ghu s LEU 97 Ca 0.04 0.17 -0.17 0.00 -0.22 0.00 0.00 54.13 53.95 1ghu s LEU 97 Cb -0.13 -3.21 0.14 0.00 0.50 0.00 0.00 46.19 43.48 1ghu s LEU 97 CO -0.06 -1.47 0.77 -0.44 -1.32 0.00 0.00 176.35 173.84 1ghu s SER 98 N 3.00 6.41 -0.20 3.68 0.01 -0.85 -1.62 113.70 124.12 1ghu s SER 98 Ca 0.44 -1.91 -0.03 0.00 1.31 0.00 0.00 55.95 55.77 1ghu s SER 98 Cb -0.08 -2.29 -0.01 0.00 0.21 0.00 0.00 66.02 63.86 1ghu s SER 98 CO 0.26 -0.94 -0.06 -0.69 0.41 0.00 0.00 173.24 172.23 1ghu s VAL 99 N 1.92 3.36 -0.64 3.43 1.01 -0.79 -1.82 120.40 126.87 1ghu s VAL 99 Ca 0.16 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.37 1ghu s VAL 99 Cb -0.18 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.74 1ghu s VAL 99 CO -0.01 0.44 1.11 -0.75 0.00 0.00 0.00 175.10 175.89 1ghu s LYS 100 N 1.25 3.29 -0.16 2.72 2.36 -0.45 -1.30 119.74 127.45 1ghu s LYS 100 Ca 0.03 -0.25 0.00 0.00 -2.55 0.00 0.00 55.97 53.20 1ghu s LYS 100 Cb -0.14 -4.12 0.03 0.00 -1.05 0.00 0.00 37.83 32.55 1ghu s LYS 100 CO -0.02 -1.80 -0.10 0.12 1.55 0.00 0.00 175.35 175.10 1ghu s PHE 101 N 4.75 2.05 0.00 4.03 2.19 -1.05 -0.90 117.98 129.05 1ghu s PHE 101 Ca 0.33 -1.25 0.00 0.00 0.33 0.00 0.00 56.93 56.34 1ghu s PHE 101 Cb -0.11 -1.50 0.00 0.00 -1.31 0.00 0.00 43.02 40.10 1ghu s PHE 101 CO 0.18 -0.66 0.00 0.41 1.83 0.00 0.00 175.22 176.97 1ghu n GLY 102 N 4.79 1.54 2.39 13.12 0.00 -1.26 -3.80 105.19 121.96 1ghu n GLY 102 Ca -0.14 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 1ghu n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ghu n ASN 103 N 6.04 0.74 -3.65 1.61 5.15 -1.26 -4.90 115.26 119.00 1ghu n ASN 103 Ca 0.00 -2.94 -0.10 0.00 -0.60 0.00 0.00 54.58 50.95 1ghu n ASN 103 Cb 0.00 -0.38 -0.07 0.00 -0.53 0.00 0.00 39.78 38.79 1ghu n ASN 103 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1ghu s ASP 104 N -2.54 -0.84 -0.44 1.20 1.01 -1.25 -5.13 116.67 108.69 1ghu s ASP 104 Ca 0.34 1.42 -0.21 0.00 0.71 0.00 0.00 52.55 54.81 1ghu s ASP 104 Cb 0.38 1.34 0.02 0.00 1.01 0.00 0.00 42.92 45.67 1ghu s ASP 104 CO -0.04 -0.23 0.64 -0.69 0.21 0.00 0.00 175.17 175.06 1ghu s VAL 105 N 1.21 4.83 -0.30 -1.27 1.01 -1.26 -2.52 120.40 122.10 1ghu s VAL 105 Ca -0.07 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 1ghu s VAL 105 Cb -0.05 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 1ghu s VAL 105 CO -0.13 -0.60 0.11 -1.10 0.00 0.00 0.00 175.10 173.38 1ghu s GLN 106 N 2.82 3.25 -0.69 2.72 -0.21 -0.42 -4.87 119.66 122.27 1ghu s GLN 106 Ca 0.22 -0.76 -0.18 0.00 0.02 0.00 0.00 55.36 54.66 1ghu s GLN 106 Cb -0.14 -3.45 0.13 0.00 1.00 0.00 0.00 33.01 30.55 1ghu s GLN 106 CO 0.19 -0.41 0.78 -1.01 -2.12 0.00 0.00 175.29 172.72 1ghu s HIS 107 N 1.56 3.15 -0.24 0.91 3.76 -1.26 -1.88 115.29 121.29 1ghu s HIS 107 Ca 0.04 -1.21 -0.16 0.00 -0.15 0.00 0.00 55.06 53.58 1ghu s HIS 107 Cb -0.17 -4.02 -0.04 0.00 1.11 0.00 0.00 32.58 29.46 1ghu s HIS 107 CO 0.04 -1.27 0.42 -0.06 -0.85 0.00 0.00 174.74 173.02 1ghu s PHE 108 N 2.24 3.30 -0.15 1.40 0.08 -0.64 -4.88 117.98 119.33 1ghu s PHE 108 Ca 0.16 0.55 -0.29 0.00 0.12 0.00 0.00 56.93 57.46 1ghu s PHE 108 Cb -0.19 -2.59 -0.02 0.00 -0.57 0.00 0.00 43.02 39.65 1ghu s PHE 108 CO 0.01 -0.15 1.33 0.15 -0.10 0.00 0.00 175.22 176.46 1ghu s LYS 109 N 1.82 4.22 -0.55 0.44 -0.14 -1.26 -1.38 119.74 122.90 1ghu s LYS 109 Ca 0.18 1.75 -0.17 0.00 -1.36 0.00 0.00 55.97 56.37 1ghu s LYS 109 Cb -0.15 -3.80 0.10 0.00 -1.68 0.00 0.00 37.83 32.30 1ghu s LYS 109 CO 0.09 -0.73 0.58 0.08 -0.76 0.00 0.00 175.35 174.61 1ghu s VAL 110 N 3.58 5.03 0.05 3.17 1.01 -0.49 -4.46 120.40 128.29 1ghu s VAL 110 Ca 0.58 -1.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 1ghu s VAL 110 Cb -0.24 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 1ghu s VAL 110 CO 0.17 -0.92 0.20 -1.48 0.00 0.00 0.00 175.10 173.08 1ghu s LEU 111 N 2.13 4.35 -0.16 3.92 2.34 -0.73 -2.65 118.68 127.88 1ghu s LEU 111 Ca 0.08 0.27 -0.03 0.00 0.06 0.00 0.00 54.13 54.51 1ghu s LEU 111 Cb -0.26 -2.91 -0.02 0.00 -0.56 0.00 0.00 46.19 42.45 1ghu s LEU 111 CO 0.06 0.18 -0.06 -0.13 -1.06 0.00 0.00 176.35 175.34 1ghu s ARG 112 N -2.44 3.56 -0.02 1.48 0.52 -1.26 -1.69 118.95 119.11 1ghu s ARG 112 Ca 0.34 -0.57 -0.00 0.00 -0.52 0.00 0.00 55.73 54.97 1ghu s ARG 112 Cb -0.13 -2.88 -0.00 0.00 0.52 0.00 0.00 34.95 32.46 1ghu s ARG 112 CO 0.27 0.15 -0.01 0.38 0.02 0.00 0.00 175.30 176.11 1ghu h ASP 113 N 6.98 0.00 0.00 0.23 2.03 -1.90 -3.49 116.42 120.28 1ghu h ASP 113 Ca -0.32 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.98 1ghu h ASP 113 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1ghu h ASP 113 CO 0.61 0.08 0.00 0.61 -1.03 0.00 0.00 179.24 179.51 1ghu n GLY 114 N 1.88 0.79 0.00 7.15 0.00 -1.26 -4.99 105.19 108.76 1ghu n GLY 114 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ghu n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ghu n ALA 115 N -3.00 0.00 -3.23 4.61 0.00 -1.26 -4.81 120.51 112.83 1ghu n ALA 115 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.19 1ghu n ALA 115 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1ghu n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ghu n GLY 116 N 2.06 3.53 3.20 0.00 0.00 -1.26 -5.03 105.19 107.68 1ghu n GLY 116 Ca 0.00 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.75 2.61 -0.44 1.61 3.01 -1.26 -4.44 119.74 119.07 1ghu s LYS 117 Ca 0.37 -1.99 -0.24 0.00 -1.01 0.00 0.00 55.97 53.10 1ghu s LYS 117 Cb 0.20 -3.94 0.02 0.00 -1.01 0.00 0.00 37.83 33.10 1ghu s LYS 117 CO -0.09 -1.20 0.84 0.71 0.51 0.00 0.00 175.35 176.13 1ghu s TYR 118 N 0.95 2.99 -0.03 3.18 2.02 -0.37 -2.65 117.35 123.45 1ghu s TYR 118 Ca 0.09 0.33 0.03 0.00 -0.37 0.00 0.00 57.07 57.15 1ghu s TYR 118 Cb -0.23 -3.73 0.00 0.00 -0.40 0.00 0.00 41.96 37.60 1ghu s TYR 118 CO -0.02 -0.98 -0.11 -0.59 -1.57 0.00 0.00 175.55 172.27 1ghu s PHE 119 N 3.44 1.15 0.03 2.71 -0.71 -0.68 -1.69 117.98 122.23 1ghu s PHE 119 Ca 0.33 -0.29 0.00 0.00 -1.04 0.00 0.00 56.93 55.93 1ghu s PHE 119 Cb -0.12 -0.79 0.00 0.00 -1.21 0.00 0.00 43.02 40.90 1ghu s PHE 119 CO 0.23 -0.11 0.00 1.47 -1.34 0.00 0.00 175.22 175.47 1ghu n LEU 120 N 3.19 0.09 0.00 -1.99 -0.00 -1.26 -1.78 117.00 115.25 1ghu n LEU 120 Ca -0.18 0.04 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 1ghu n LEU 120 Cb 0.54 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 1ghu n LEU 120 CO 0.25 -0.29 0.00 1.87 -0.00 0.00 0.00 177.39 179.21 1ghu n TRP 121 N -2.90 0.00 0.00 1.47 -0.00 -1.26 -4.99 117.44 109.75 1ghu n TRP 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1ghu n TRP 121 Cb 0.25 -0.01 0.00 0.00 -0.00 0.00 0.00 31.31 31.55 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 -1.27 0.00 -2.79 5.87 0.31 -1.26 -5.10 118.33 114.08 1ghu n VAL 122 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1ghu n VAL 122 Cb 0.00 -0.34 -0.06 0.00 -0.91 0.00 0.00 33.84 32.53 1ghu n VAL 122 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ghu s VAL 123 N -0.22 4.22 0.39 2.52 0.11 -1.26 -5.05 120.40 121.10 1ghu s VAL 123 Ca 0.00 2.00 -0.23 0.00 -2.93 0.00 0.00 61.98 60.82 1ghu s VAL 123 Cb 0.00 -4.29 -0.10 0.00 -1.53 0.00 0.00 36.38 30.46 1ghu s VAL 123 CO 0.00 0.47 0.95 -1.59 -3.33 0.00 0.00 175.10 171.60 1ghu s LYS 124 N -0.93 4.36 -0.25 1.54 0.00 -1.26 -4.72 119.74 118.48 1ghu s LYS 124 Ca 0.41 1.22 0.01 0.00 0.00 0.00 0.00 55.97 57.61 1ghu s LYS 124 Cb -0.25 -2.43 0.06 0.00 0.00 0.00 0.00 37.83 35.22 1ghu s LYS 124 CO 0.30 0.08 -0.05 -0.06 0.00 0.00 0.00 175.35 175.62 1ghu s PHE 125 N -1.94 2.66 0.52 1.78 0.08 -0.68 -4.92 117.98 115.48 1ghu s PHE 125 Ca 0.57 -1.98 0.22 0.00 0.12 0.00 0.00 56.93 55.87 1ghu s PHE 125 Cb -0.13 -1.77 1.34 0.00 -0.57 0.00 0.00 43.02 41.89 1ghu s PHE 125 CO 0.18 -0.82 2.02 -2.95 -0.10 0.00 0.00 175.22 173.55 1ghu h ASN 126 N 7.89 0.04 -4.26 1.36 7.08 -1.85 -0.97 115.58 124.87 1ghu h ASN 126 Ca -0.17 0.00 -0.57 0.00 -3.08 0.00 0.00 56.30 52.48 1ghu h ASN 126 Cb 1.06 -0.01 -0.25 0.00 -2.08 0.00 0.00 38.32 37.05 1ghu h ASN 126 CO 0.43 0.02 -0.84 -0.55 -2.08 0.00 0.00 177.43 174.42 1ghu s SER 127 N -6.37 2.46 -0.62 6.14 0.15 -1.26 -4.66 113.70 109.53 1ghu s SER 127 Ca -0.05 -0.56 -0.25 0.00 0.70 0.00 0.00 55.95 55.78 1ghu s SER 127 Cb 0.19 -0.18 0.04 0.00 -1.71 0.00 0.00 66.02 64.36 1ghu s SER 127 CO 0.72 0.13 1.08 -0.76 1.20 0.00 0.00 173.24 175.61 1ghu s LEU 128 N -1.37 3.79 0.00 3.45 1.43 -1.26 -2.66 118.68 122.06 1ghu s LEU 128 Ca 0.07 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1ghu s LEU 128 Cb -0.09 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1ghu s LEU 128 CO 0.02 -1.46 0.00 -3.20 0.23 0.00 0.00 176.35 171.94 1ghu n ASN 129 N 8.16 0.00 -0.29 2.29 2.85 -1.26 -4.93 115.26 122.08 1ghu n ASN 129 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1ghu n ASN 129 Cb 0.48 0.00 0.13 0.00 1.24 0.00 0.00 39.78 41.63 1ghu n ASN 129 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1ghu h GLU 130 N 0.00 0.85 -0.27 1.20 4.81 -1.94 -2.39 114.58 116.84 1ghu h GLU 130 Ca 0.00 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1ghu h GLU 130 Cb 0.00 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.14 1ghu h GLU 130 CO 0.00 0.56 -0.02 1.25 -0.73 0.00 0.00 179.01 180.08 1ghu h LEU 131 N 0.88 -0.14 0.12 1.64 6.46 -1.84 -2.75 115.31 119.67 1ghu h LEU 131 Ca 0.35 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 58.17 1ghu h LEU 131 Cb 0.19 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1ghu h LEU 131 CO -0.18 -0.04 -0.06 -0.37 -0.62 0.00 0.00 178.44 177.17 1ghu h VAL 132 N 0.06 0.97 -0.25 1.05 -1.51 -1.85 -3.18 116.25 111.54 1ghu h VAL 132 Ca 0.13 -0.37 -0.06 0.00 -1.23 0.00 0.00 66.70 65.17 1ghu h VAL 132 Cb 0.18 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 30.53 1ghu h VAL 132 CO -0.23 0.09 -0.09 -0.78 -1.23 0.00 0.00 177.57 175.32 1ghu h ASP 133 N -0.34 0.39 0.85 4.19 3.58 -1.49 -1.86 116.42 121.74 1ghu h ASP 133 Ca -0.02 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.31 1ghu h ASP 133 Cb 0.27 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 41.23 1ghu h ASP 133 CO 0.03 0.52 -0.41 0.22 -2.88 0.00 0.00 179.24 176.72 1ghu h TYR 134 N 0.39 -1.06 0.00 0.28 3.20 -1.58 -3.30 116.97 114.90 1ghu h TYR 134 Ca 0.08 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1ghu h TYR 134 Cb 0.40 0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.02 1ghu h TYR 134 CO 0.01 -0.65 0.00 0.72 -1.64 0.00 0.00 178.16 176.60 1ghu n HIS 135 N -5.55 0.00 -0.09 -3.82 8.25 -1.19 -2.62 115.22 110.20 1ghu n HIS 135 Ca -0.15 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.52 1ghu n HIS 135 Cb 0.46 -0.47 0.64 0.00 1.12 0.00 0.00 29.99 31.73 1ghu n HIS 135 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1ghu h ARG 136 N 0.00 0.13 0.00 -0.41 2.43 -1.41 -2.88 114.38 112.24 1ghu h ARG 136 Ca 0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1ghu h ARG 136 Cb 0.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1ghu h ARG 136 CO 0.00 0.09 -1.21 0.43 -1.51 0.00 0.00 179.97 177.77 1ghu n SER 137 N -4.39 4.12 -4.88 -3.80 7.64 -1.21 -3.31 113.62 107.79 1ghu n SER 137 Ca 0.13 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.70 1ghu n SER 137 Cb 0.66 0.92 -0.05 0.00 -1.01 0.00 0.00 64.21 64.73 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 -2.19 4.91 0.10 0.44 2.01 -1.08 -4.90 115.64 114.94 1ghu s THR 138 Ca -0.02 0.44 -0.31 0.00 0.31 0.00 0.00 61.69 62.11 1ghu s THR 138 Cb 0.02 -3.66 -0.08 0.00 0.01 0.00 0.00 72.50 68.79 1ghu s THR 138 CO 0.15 -0.19 1.43 -0.55 -0.69 0.00 0.00 174.62 174.77 1ghu s SER 139 N -2.64 6.78 -0.02 3.53 0.15 -1.26 -4.51 113.70 115.74 1ghu s SER 139 Ca 0.48 2.35 -0.25 0.00 0.70 0.00 0.00 55.95 59.23 1ghu s SER 139 Cb -0.11 -2.58 -0.20 0.00 -1.71 0.00 0.00 66.02 61.42 1ghu s SER 139 CO 0.24 -0.70 1.21 0.58 1.20 0.00 0.00 173.24 175.77 1ghu h VAL 140 N 4.34 1.43 -2.91 4.45 2.07 -1.79 -3.47 116.25 120.38 1ghu h VAL 140 Ca -0.42 -1.39 -0.45 0.00 0.82 0.00 0.00 66.70 65.26 1ghu h VAL 140 Cb 1.20 2.28 0.05 0.00 -1.52 0.00 0.00 31.29 33.31 1ghu h VAL 140 CO 0.88 0.37 0.02 -0.94 0.02 0.00 0.00 177.57 177.93 1ghu s SER 141 N -5.92 5.32 -0.04 0.57 1.04 -1.26 -4.67 113.70 108.74 1ghu s SER 141 Ca -0.16 0.20 -0.17 0.00 0.48 0.00 0.00 55.95 56.31 1ghu s SER 141 Cb 0.02 -1.12 -0.10 0.00 0.10 0.00 0.00 66.02 64.91 1ghu s SER 141 CO 0.70 -1.14 0.70 0.03 0.98 0.00 0.00 173.24 174.52 1ghu h ARG 142 N -0.02 -0.44 0.18 4.02 2.47 -2.00 -3.42 114.38 115.18 1ghu h ARG 142 Ca -0.44 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.30 1ghu h ARG 142 Cb 1.29 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.71 1ghu h ARG 142 CO 0.55 -0.20 -0.09 -0.97 0.56 0.00 0.00 179.97 179.83 1ghu h ASN 143 N -1.06 -0.21 -4.07 7.04 -1.24 -2.01 -3.47 115.58 110.56 1ghu h ASN 143 Ca -0.05 0.01 -0.44 0.00 0.71 0.00 0.00 56.30 56.53 1ghu h ASN 143 Cb 0.44 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 1ghu h ASN 143 CO 0.08 0.17 0.34 -1.10 -1.29 0.00 0.00 177.43 175.63 1ghu s GLN 144 N -2.33 4.20 -0.21 6.67 -0.21 -1.26 -5.05 119.66 121.47 1ghu s GLN 144 Ca -0.04 1.11 -0.26 0.00 0.02 0.00 0.00 55.36 56.19 1ghu s GLN 144 Cb 0.00 -2.18 -0.00 0.00 1.00 0.00 0.00 33.01 31.83 1ghu s GLN 144 CO 0.11 -0.05 0.90 1.14 -2.12 0.00 0.00 175.29 175.27 1ghu s GLN 145 N -3.25 4.25 -0.25 2.91 -2.07 -1.26 -4.16 119.66 115.83 1ghu s GLN 145 Ca 0.62 1.11 0.02 0.00 -1.82 0.00 0.00 55.36 55.28 1ghu s GLN 145 Cb -0.09 -3.62 0.06 0.00 -1.09 0.00 0.00 33.01 28.28 1ghu s GLN 145 CO 0.15 -0.48 -0.06 0.42 -1.32 0.00 0.00 175.29 173.99 1ghu s ILE 146 N 2.69 1.77 -0.32 3.63 1.09 -1.26 -4.98 121.20 123.82 1ghu s ILE 146 Ca 0.39 -1.45 -0.02 0.00 -1.10 0.00 0.00 60.65 58.47 1ghu s ILE 146 Cb -0.16 -2.02 0.06 0.00 -1.06 0.00 0.00 42.46 39.28 1ghu s ILE 146 CO 0.09 -0.14 0.05 -0.36 -0.10 0.00 0.00 174.94 174.48 1ghu s PHE 147 N 1.27 3.32 0.89 3.97 0.08 -1.26 -2.67 117.98 123.58 1ghu s PHE 147 Ca -0.05 -1.93 -0.12 0.00 0.12 0.00 0.00 56.93 54.95 1ghu s PHE 147 Cb -0.19 -2.32 0.13 0.00 -0.57 0.00 0.00 43.02 40.06 1ghu s PHE 147 CO -0.07 -0.82 1.15 -0.48 -0.10 0.00 0.00 175.22 174.90 1ghu s LEU 148 N 1.25 2.12 -0.27 -0.37 0.05 -1.09 -4.27 118.68 116.10 1ghu s LEU 148 Ca -0.02 0.90 -0.23 0.00 0.05 0.00 0.00 54.13 54.83 1ghu s LEU 148 Cb -0.20 -3.25 0.07 0.00 -2.05 0.00 0.00 46.19 40.76 1ghu s LEU 148 CO -0.01 -2.43 0.72 -0.60 -0.55 0.00 0.00 176.35 173.47 1ghu s ARG 149 N -5.36 0.82 1.11 1.48 3.00 -0.69 -4.64 118.95 114.67 1ghu s ARG 149 Ca 0.64 1.04 -0.15 0.00 -1.00 0.00 0.00 55.73 56.26 1ghu s ARG 149 Cb -0.14 0.36 0.25 0.00 0.00 0.00 0.00 34.95 35.42 1ghu s ARG 149 CO 0.52 -0.11 1.07 0.34 0.00 0.00 0.00 175.30 177.13 1ghu s ASP 150 N 0.60 1.60 0.69 -2.12 -1.08 -1.26 -2.99 116.67 112.11 1ghu s ASP 150 Ca -0.02 1.06 -0.13 0.00 -0.52 0.00 0.00 52.55 52.94 1ghu s ASP 150 Cb -0.05 -1.63 0.01 0.00 -1.46 0.00 0.00 42.92 39.79 1ghu s ASP 150 CO -0.03 -3.75 1.09 0.27 0.52 0.00 0.00 175.17 173.28 1ghu s ILE 151 N -2.85 3.39 -2.08 4.11 -4.36 -1.26 -4.65 121.20 113.50 1ghu s ILE 151 Ca 0.68 0.57 0.31 0.00 -0.26 0.00 0.00 60.65 61.95 1ghu s ILE 151 Cb -0.17 -3.09 0.85 0.00 1.25 0.00 0.00 42.46 41.29 1ghu s ILE 151 CO 0.59 -0.47 2.15 1.21 0.24 0.00 0.00 174.94 178.65