#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 6.67 0.00 1.61 0.15 -1.26 -4.85 113.70 116.02 1ghu s SER 59 Ca 0.00 0.52 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1ghu s SER 59 Cb 0.00 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1ghu s SER 59 CO 0.00 -1.05 0.00 -2.67 1.20 0.00 0.00 173.24 170.72 1ghu n TRP 60 N 7.28 0.00 -2.68 3.44 2.14 -1.26 -4.66 117.44 121.69 1ghu n TRP 60 Ca 0.10 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.24 1ghu n TRP 60 Cb 0.48 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.96 1ghu n TRP 60 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 1ghu s PHE 61 N -1.16 3.22 -0.38 -2.67 5.36 -1.26 -2.02 117.98 119.08 1ghu s PHE 61 Ca 0.00 1.25 0.01 0.00 -0.96 0.00 0.00 56.93 57.23 1ghu s PHE 61 Cb 0.00 -3.48 0.12 0.00 -0.34 0.00 0.00 43.02 39.32 1ghu s PHE 61 CO 0.00 -0.64 0.17 -0.06 -1.46 0.00 0.00 175.22 173.23 1ghu s PHE 62 N 3.41 2.02 -0.07 10.12 0.08 -0.80 -4.94 117.98 127.79 1ghu s PHE 62 Ca 0.43 -2.22 -0.30 0.00 0.12 0.00 0.00 56.93 54.97 1ghu s PHE 62 Cb -0.13 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.38 1ghu s PHE 62 CO 0.12 -0.83 1.11 0.20 -0.10 0.00 0.00 175.22 175.72 1ghu s GLY 63 N 0.86 2.23 -0.99 4.36 0.00 -1.26 -4.01 107.32 108.51 1ghu s GLY 63 Ca 0.14 0.51 -0.11 0.00 0.00 0.00 0.00 44.72 45.27 1ghu s GLY 63 CO -0.09 2.07 0.78 0.58 0.00 0.00 0.00 173.10 176.43 1ghu n LYS 64 N 5.08 -1.48 -4.18 2.90 2.85 -1.21 -4.80 118.16 117.32 1ghu n LYS 64 Ca 0.10 0.81 -0.34 0.00 -1.05 0.00 0.00 58.31 57.82 1ghu n LYS 64 Cb 0.47 -4.59 -0.12 0.00 -0.65 0.00 0.00 35.03 30.15 1ghu n LYS 64 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 1ghu s ILE 65 N -3.29 4.06 0.81 0.58 -1.16 -1.26 -5.02 121.20 115.93 1ghu s ILE 65 Ca 0.31 -0.29 -0.11 0.00 -0.51 0.00 0.00 60.65 60.06 1ghu s ILE 65 Cb -0.09 -2.82 0.08 0.00 0.61 0.00 0.00 42.46 40.24 1ghu s ILE 65 CO 0.82 0.45 1.10 -2.16 -2.81 0.00 0.00 174.94 172.34 1ghu s PRO 66 N 0.69 1.95 0.17 3.50 0.04 -1.26 -4.83 135.00 135.26 1ghu s PRO 66 Ca -0.00 1.14 -0.03 0.00 0.04 0.00 0.00 61.00 62.15 1ghu s PRO 66 Cb -0.14 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.57 1ghu s PRO 66 CO 0.02 -1.85 1.42 -0.09 0.04 0.00 0.00 177.00 176.54 1ghu h ARG 67 N -1.28 0.47 -0.65 4.56 2.43 -1.99 -1.56 114.38 116.36 1ghu h ARG 67 Ca -0.45 -0.38 -0.05 0.00 -0.81 0.00 0.00 59.98 58.30 1ghu h ARG 67 Cb 1.24 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.84 1ghu h ARG 67 CO 0.51 1.01 0.22 0.00 -1.51 0.00 0.00 179.97 180.20 1ghu h ALA 68 N 0.88 0.85 -0.44 2.80 0.00 -1.99 -1.10 119.26 120.26 1ghu h ALA 68 Ca -0.03 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1ghu h ALA 68 Cb 1.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1ghu h ALA 68 CO 0.13 0.50 -0.20 -0.22 0.00 0.00 0.00 179.25 179.46 1ghu h LYS 69 N 0.93 0.91 -0.67 0.00 3.64 -1.95 -2.08 116.57 117.34 1ghu h LYS 69 Ca 0.21 -0.39 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 1ghu h LYS 69 Cb 0.26 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1ghu h LYS 69 CO -0.01 1.05 0.23 0.00 -2.27 0.00 0.00 179.45 178.45 1ghu h ALA 70 N 0.84 0.87 -0.30 5.00 0.00 -1.29 -2.82 119.26 121.56 1ghu h ALA 70 Ca 0.10 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1ghu h ALA 70 Cb 0.77 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1ghu h ALA 70 CO 0.06 0.53 -0.05 0.93 0.00 0.00 0.00 179.25 180.72 1ghu h GLU 71 N 0.96 0.56 -0.97 0.00 5.08 -1.28 -1.53 114.58 117.40 1ghu h GLU 71 Ca 0.22 -0.21 0.16 0.00 -1.00 0.00 0.00 59.36 58.53 1ghu h GLU 71 Cb 0.26 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.39 1ghu h GLU 71 CO -0.01 0.74 0.61 1.49 -1.00 0.00 0.00 179.01 180.84 1ghu h GLU 72 N 0.33 0.77 0.13 2.33 4.57 -1.39 -2.42 114.58 118.89 1ghu h GLU 72 Ca 0.08 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1ghu h GLU 72 Cb 0.53 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1ghu h GLU 72 CO 0.03 0.51 -0.06 0.52 -1.18 0.00 0.00 179.01 178.82 1ghu h MET 73 N 0.79 -0.17 0.04 1.92 2.86 -1.55 -3.39 114.93 115.43 1ghu h MET 73 Ca 0.51 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 58.16 1ghu h MET 73 Cb 0.76 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1ghu h MET 73 CO -0.29 -0.11 -0.02 -0.07 1.06 0.00 0.00 176.91 177.48 1ghu h LEU 74 N -0.78 -0.04 -1.55 1.22 4.07 -1.27 -2.35 115.31 114.60 1ghu h LEU 74 Ca -0.02 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.48 1ghu h LEU 74 Cb 0.13 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1ghu h LEU 74 CO 0.03 0.45 0.26 0.77 -1.08 0.00 0.00 178.44 178.88 1ghu h SER 75 N -0.55 0.49 0.59 -0.43 4.64 -1.65 -2.86 113.55 113.78 1ghu h SER 75 Ca -0.00 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.16 1ghu h SER 75 Cb 0.50 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 1ghu h SER 75 CO 0.01 0.37 -0.63 0.11 -0.87 0.00 0.00 176.83 175.82 1ghu h LYS 76 N 0.58 0.04 -6.40 4.77 6.56 -1.69 -3.47 116.57 116.96 1ghu h LYS 76 Ca 0.15 -0.03 -0.63 0.00 -1.06 0.00 0.00 60.65 59.08 1ghu h LYS 76 Cb -0.04 0.01 0.07 0.00 -0.57 0.00 0.00 32.23 31.70 1ghu h LYS 76 CO -0.03 0.66 0.45 0.94 -2.06 0.00 0.00 179.45 179.41 1ghu n GLN 77 N -3.80 1.49 0.30 3.15 -0.06 -0.89 -4.94 117.38 112.63 1ghu n GLN 77 Ca -0.01 0.53 0.18 0.00 -2.00 0.00 0.00 57.00 55.70 1ghu n GLN 77 Cb 0.63 -2.12 0.99 0.00 -4.06 0.00 0.00 30.24 25.68 1ghu n GLN 77 CO 0.00 0.00 0.00 0.07 -0.20 0.00 0.00 177.06 176.93 1ghu h ARG 78 N 4.07 0.00 -5.93 3.69 -0.00 -1.91 -3.45 114.38 110.86 1ghu h ARG 78 Ca -0.45 0.00 -0.57 0.00 -0.00 0.00 0.00 59.98 58.96 1ghu h ARG 78 Cb 1.32 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 31.22 1ghu h ARG 78 CO 0.75 0.00 -0.04 -1.01 -0.00 0.00 0.00 179.97 179.67 1ghu s HIS 79 N -4.46 3.58 -0.67 4.08 3.76 -1.26 -5.02 115.29 115.29 1ghu s HIS 79 Ca -0.05 1.09 -0.27 0.00 -0.15 0.00 0.00 55.06 55.68 1ghu s HIS 79 Cb 0.14 -2.64 0.03 0.00 1.11 0.00 0.00 32.58 31.22 1ghu s HIS 79 CO 0.49 0.20 1.21 0.34 -0.85 0.00 0.00 174.74 176.13 1ghu s ASP 80 N 0.43 6.26 0.00 1.40 -1.08 -1.26 -2.94 116.67 119.48 1ghu s ASP 80 Ca 0.31 -0.31 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 1ghu s ASP 80 Cb -0.17 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1ghu s ASP 80 CO 0.15 -1.66 0.00 0.61 0.52 0.00 0.00 175.17 174.78 1ghu n GLY 81 N 5.26 0.79 3.64 2.66 0.00 -0.61 -4.47 105.19 112.46 1ghu n GLY 81 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.60 3.32 0.19 4.61 0.00 -1.15 -1.74 121.76 125.39 1ghu s ALA 82 Ca 0.00 0.77 0.05 0.00 0.00 0.00 0.00 51.96 52.78 1ghu s ALA 82 Cb 0.00 -3.86 -0.05 0.00 0.00 0.00 0.00 23.12 19.21 1ghu s ALA 82 CO 0.00 -1.88 -0.09 -0.59 0.00 0.00 0.00 175.76 173.20 1ghu s PHE 83 N 5.26 1.48 0.03 0.00 -0.12 -1.17 -1.30 117.98 122.17 1ghu s PHE 83 Ca 0.79 -0.74 -0.06 0.00 -0.05 0.00 0.00 56.93 56.87 1ghu s PHE 83 Cb -0.31 -0.76 -0.01 0.00 -0.63 0.00 0.00 43.02 41.31 1ghu s PHE 83 CO 0.32 0.14 0.11 -0.48 -0.05 0.00 0.00 175.22 175.26 1ghu s LEU 84 N -3.25 1.74 -0.18 -1.99 0.05 -0.89 -4.48 118.68 109.67 1ghu s LEU 84 Ca 0.21 -0.47 -0.02 0.00 0.05 0.00 0.00 54.13 53.89 1ghu s LEU 84 Cb 0.02 0.64 -0.01 0.00 -2.05 0.00 0.00 46.19 44.79 1ghu s LEU 84 CO 0.04 -0.49 -0.08 -0.63 -0.55 0.00 0.00 176.35 174.65 1ghu s ILE 85 N -2.42 3.27 0.56 1.48 1.09 -0.85 -1.31 121.20 123.00 1ghu s ILE 85 Ca -0.06 -0.55 -0.02 0.00 -1.10 0.00 0.00 60.65 58.92 1ghu s ILE 85 Cb -0.02 -2.44 0.02 0.00 -1.06 0.00 0.00 42.46 38.96 1ghu s ILE 85 CO -0.04 0.47 0.82 -0.13 -0.10 0.00 0.00 174.94 175.96 1ghu s ARG 86 N 1.01 2.69 -0.16 2.79 0.52 -0.36 -1.91 118.95 123.53 1ghu s ARG 86 Ca -0.00 -0.45 -0.00 0.00 -0.52 0.00 0.00 55.73 54.75 1ghu s ARG 86 Cb -0.15 -2.40 0.04 0.00 0.52 0.00 0.00 34.95 32.96 1ghu s ARG 86 CO -0.00 -0.70 -0.06 -2.00 0.02 0.00 0.00 175.30 172.56 1ghu s GLU 87 N -4.85 1.45 0.14 3.54 2.12 -1.26 -2.56 118.70 117.28 1ghu s GLU 87 Ca 0.55 -0.47 -0.30 0.00 0.36 0.00 0.00 54.97 55.11 1ghu s GLU 87 Cb -0.10 -1.93 -0.07 0.00 0.26 0.00 0.00 34.13 32.29 1ghu s GLU 87 CO 0.41 -0.40 1.07 -1.12 -0.54 0.00 0.00 175.26 174.67 1ghu s SER 88 N 1.65 7.32 -0.06 -1.70 0.01 -0.72 -3.33 113.70 116.86 1ghu s SER 88 Ca 0.02 1.98 -0.16 0.00 1.31 0.00 0.00 55.95 59.10 1ghu s SER 88 Cb -0.15 -2.60 -0.12 0.00 0.21 0.00 0.00 66.02 63.37 1ghu s SER 88 CO -0.08 -0.20 0.64 -0.33 0.41 0.00 0.00 173.24 173.68 1ghu h GLU 89 N 5.46 -0.23 -0.88 12.44 5.08 -2.01 -3.36 114.58 131.08 1ghu h GLU 89 Ca -0.44 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1ghu h GLU 89 Cb 1.21 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1ghu h GLU 89 CO 0.73 0.10 0.49 1.03 -1.00 0.00 0.00 179.01 180.36 1ghu h SER 90 N -0.97 1.09 -3.19 1.42 0.87 -1.99 -3.36 113.55 107.42 1ghu h SER 90 Ca -0.02 -0.09 -0.75 0.00 -1.23 0.00 0.00 61.79 59.70 1ghu h SER 90 Cb 0.44 -0.28 -0.26 0.00 -0.44 0.00 0.00 62.40 61.86 1ghu h SER 90 CO 0.04 0.87 -0.29 0.00 -0.53 0.00 0.00 176.83 176.92 1ghu s ALA 91 N -5.83 3.55 -0.02 6.23 0.00 -1.26 -5.09 121.76 119.35 1ghu s ALA 91 Ca -0.12 -2.56 -0.30 0.00 0.00 0.00 0.00 51.96 48.98 1ghu s ALA 91 Cb 0.17 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1ghu s ALA 91 CO 0.82 -1.98 1.19 -1.25 0.00 0.00 0.00 175.76 174.55 1ghu s PRO 92 N 1.46 4.39 0.00 0.00 0.04 -1.26 -2.78 135.00 136.85 1ghu s PRO 92 Ca 0.04 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1ghu s PRO 92 Cb -0.28 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1ghu s PRO 92 CO 0.01 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1ghu n GLY 93 N 3.30 0.69 3.55 0.56 0.00 -1.26 -5.06 105.19 106.97 1ghu n GLY 93 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.34 6.13 0.10 1.61 2.15 -1.12 -4.60 116.67 118.61 1ghu s ASP 94 Ca 0.00 -0.19 -0.00 0.00 0.43 0.00 0.00 52.55 52.79 1ghu s ASP 94 Cb 0.00 -2.17 -0.04 0.00 -0.30 0.00 0.00 42.92 40.41 1ghu s ASP 94 CO 0.00 -0.25 0.27 -0.36 -0.17 0.00 0.00 175.17 174.65 1ghu s PHE 95 N 1.91 3.50 -0.17 -5.34 0.40 -1.18 -1.75 117.98 115.34 1ghu s PHE 95 Ca 0.10 0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.69 1ghu s PHE 95 Cb -0.17 -1.79 0.05 0.00 0.51 0.00 0.00 43.02 41.62 1ghu s PHE 95 CO 0.11 0.53 0.01 -1.12 0.70 0.00 0.00 175.22 175.45 1ghu s SER 96 N -2.68 2.79 -0.58 1.36 0.01 -1.06 -1.12 113.70 112.42 1ghu s SER 96 Ca 0.36 -0.72 -0.28 0.00 1.31 0.00 0.00 55.95 56.62 1ghu s SER 96 Cb -0.12 -0.68 0.03 0.00 0.21 0.00 0.00 66.02 65.45 1ghu s SER 96 CO 0.28 -0.26 1.24 -0.22 0.41 0.00 0.00 173.24 174.68 1ghu s LEU 97 N 1.79 3.43 -0.83 2.44 2.96 -0.56 -1.22 118.68 126.70 1ghu s LEU 97 Ca -0.00 0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 53.84 1ghu s LEU 97 Cb -0.16 -3.13 0.11 0.00 0.50 0.00 0.00 46.19 43.51 1ghu s LEU 97 CO -0.07 -1.54 1.05 -0.44 -1.32 0.00 0.00 176.35 174.03 1ghu s SER 98 N 3.26 6.46 -0.17 3.68 0.01 -0.43 -1.53 113.70 124.98 1ghu s SER 98 Ca 0.45 -1.70 -0.02 0.00 1.31 0.00 0.00 55.95 55.99 1ghu s SER 98 Cb -0.08 -2.40 -0.01 0.00 0.21 0.00 0.00 66.02 63.74 1ghu s SER 98 CO 0.25 -1.18 -0.07 0.54 0.41 0.00 0.00 173.24 173.19 1ghu s VAL 99 N 3.09 3.37 0.01 3.43 0.11 -0.81 -2.09 120.40 127.51 1ghu s VAL 99 Ca 0.28 -0.52 -0.30 0.00 -2.93 0.00 0.00 61.98 58.51 1ghu s VAL 99 Cb -0.10 -2.48 -0.04 0.00 -1.53 0.00 0.00 36.38 32.24 1ghu s VAL 99 CO -0.03 0.48 1.09 -0.75 -3.33 0.00 0.00 175.10 172.56 1ghu s LYS 100 N 0.80 4.48 -0.12 1.54 2.36 -0.42 -1.58 119.74 126.80 1ghu s LYS 100 Ca -0.03 1.59 -0.03 0.00 -2.55 0.00 0.00 55.97 54.95 1ghu s LYS 100 Cb -0.15 -3.43 0.05 0.00 -1.05 0.00 0.00 37.83 33.25 1ghu s LYS 100 CO 0.01 -0.20 0.05 -0.06 1.55 0.00 0.00 175.35 176.71 1ghu s PHE 101 N 1.23 0.46 0.00 4.03 0.08 -1.04 -1.58 117.98 121.16 1ghu s PHE 101 Ca 0.55 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.33 1ghu s PHE 101 Cb -0.25 -0.74 0.00 0.00 -0.57 0.00 0.00 43.02 41.46 1ghu s PHE 101 CO 0.27 -0.42 0.00 0.41 -0.10 0.00 0.00 175.22 175.38 1ghu n GLY 102 N 5.20 1.63 0.00 4.36 0.00 -1.26 -3.62 105.19 111.49 1ghu n GLY 102 Ca -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1ghu n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ghu n ASN 103 N 4.81 2.39 -4.67 1.61 6.94 -1.26 -4.93 115.26 120.15 1ghu n ASN 103 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 54.58 54.24 1ghu n ASN 103 Cb 0.00 0.42 -0.09 0.00 -2.36 0.00 0.00 39.78 37.75 1ghu n ASN 103 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1ghu s ASP 104 N -1.20 5.03 -0.17 0.53 1.01 -1.24 -4.76 116.67 115.87 1ghu s ASP 104 Ca 0.00 -0.08 -0.25 0.00 0.71 0.00 0.00 52.55 52.93 1ghu s ASP 104 Cb 0.00 -1.26 -0.02 0.00 1.01 0.00 0.00 42.92 42.65 1ghu s ASP 104 CO 0.00 0.25 0.82 0.54 0.21 0.00 0.00 175.17 176.98 1ghu s VAL 105 N -1.15 4.89 -0.21 -1.27 0.11 -1.26 -2.50 120.40 119.01 1ghu s VAL 105 Ca 0.21 1.60 -0.05 0.00 -2.93 0.00 0.00 61.98 60.81 1ghu s VAL 105 Cb -0.12 -4.12 -0.02 0.00 -1.53 0.00 0.00 36.38 30.59 1ghu s VAL 105 CO 0.13 0.03 -0.02 -1.10 -3.33 0.00 0.00 175.10 170.81 1ghu s GLN 106 N 2.13 3.52 -0.60 1.54 -0.21 -0.61 -4.97 119.66 120.45 1ghu s GLN 106 Ca 0.37 -0.56 -0.12 0.00 0.02 0.00 0.00 55.36 55.07 1ghu s GLN 106 Cb -0.16 -3.05 0.15 0.00 1.00 0.00 0.00 33.01 30.94 1ghu s GLN 106 CO 0.12 -0.08 0.51 -1.01 -2.12 0.00 0.00 175.29 172.71 1ghu s HIS 107 N 1.21 3.46 0.05 0.91 3.76 -1.26 -1.93 115.29 121.49 1ghu s HIS 107 Ca 0.03 -1.83 -0.15 0.00 -0.15 0.00 0.00 55.06 52.96 1ghu s HIS 107 Cb -0.15 -3.64 -0.06 0.00 1.11 0.00 0.00 32.58 29.85 1ghu s HIS 107 CO 0.00 -0.98 0.46 -0.06 -0.85 0.00 0.00 174.74 173.30 1ghu s PHE 108 N 0.96 3.70 -0.35 1.40 0.40 -0.58 -4.98 117.98 118.53 1ghu s PHE 108 Ca 0.09 1.02 -0.16 0.00 -0.60 0.00 0.00 56.93 57.28 1ghu s PHE 108 Cb -0.23 -2.31 -0.01 0.00 0.51 0.00 0.00 43.02 40.98 1ghu s PHE 108 CO -0.02 0.58 0.41 0.15 0.70 0.00 0.00 175.22 177.05 1ghu s LYS 109 N -1.36 3.54 -0.15 0.44 -0.14 -1.26 -1.49 119.74 119.31 1ghu s LYS 109 Ca 0.28 -0.37 -0.26 0.00 -1.36 0.00 0.00 55.97 54.27 1ghu s LYS 109 Cb -0.16 -3.82 -0.02 0.00 -1.68 0.00 0.00 37.83 32.15 1ghu s LYS 109 CO 0.16 -0.59 0.84 0.08 -0.76 0.00 0.00 175.35 175.08 1ghu s VAL 110 N 2.14 4.88 -0.14 3.17 1.01 -0.27 -4.88 120.40 126.31 1ghu s VAL 110 Ca 0.14 1.66 -0.07 0.00 0.00 0.00 0.00 61.98 63.72 1ghu s VAL 110 Cb -0.16 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1ghu s VAL 110 CO 0.12 0.04 0.09 -0.76 0.00 0.00 0.00 175.10 174.60 1ghu s LEU 111 N 2.04 4.08 -0.16 3.92 1.43 -0.89 -3.12 118.68 125.98 1ghu s LEU 111 Ca 0.39 0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1ghu s LEU 111 Cb -0.17 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 1ghu s LEU 111 CO 0.13 0.31 -0.03 -0.13 0.23 0.00 0.00 176.35 176.86 1ghu s ARG 112 N -0.47 3.68 -0.52 1.70 0.52 -1.26 -1.67 118.95 120.93 1ghu s ARG 112 Ca 0.11 -0.51 -0.17 0.00 -0.52 0.00 0.00 55.73 54.63 1ghu s ARG 112 Cb -0.12 -2.93 0.08 0.00 0.52 0.00 0.00 34.95 32.51 1ghu s ARG 112 CO 0.02 0.24 0.54 0.16 0.02 0.00 0.00 175.30 176.28 1ghu s ASP 113 N 0.37 6.18 0.48 0.23 -4.77 -1.07 -4.87 116.67 113.23 1ghu s ASP 113 Ca -0.04 -1.31 0.00 0.00 -3.30 0.00 0.00 52.55 47.90 1ghu s ASP 113 Cb -0.14 -2.24 0.00 0.00 -1.09 0.00 0.00 42.92 39.45 1ghu s ASP 113 CO 0.03 -0.85 0.00 0.61 0.70 0.00 0.00 175.17 175.66 1ghu n GLY 114 N 5.22 1.30 0.00 2.12 0.00 -1.26 -4.17 105.19 108.40 1ghu n GLY 114 Ca -0.10 -0.64 -0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.00 -0.58 4.61 0.00 -2.04 -3.46 119.26 117.78 1ghu h ALA 115 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1ghu h ALA 115 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.63 1ghu h ALA 115 CO 0.00 -0.00 -0.52 0.41 0.00 0.00 0.00 179.25 179.14 1ghu n GLY 116 N 1.98 -0.15 3.00 0.00 0.00 -1.26 -5.10 105.19 103.67 1ghu n GLY 116 Ca -0.00 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 0.72 2.10 -0.35 1.61 3.01 -1.26 -4.55 119.74 121.03 1ghu s LYS 117 Ca 0.31 -2.51 -0.29 0.00 -1.01 0.00 0.00 55.97 52.47 1ghu s LYS 117 Cb 0.11 -3.44 0.02 0.00 -1.01 0.00 0.00 37.83 33.52 1ghu s LYS 117 CO -0.15 -1.11 1.11 0.71 0.51 0.00 0.00 175.35 176.42 1ghu s TYR 118 N -0.08 3.03 -0.05 3.18 1.51 -0.58 -2.61 117.35 121.76 1ghu s TYR 118 Ca 0.16 1.06 0.02 0.00 -1.01 0.00 0.00 57.07 57.30 1ghu s TYR 118 Cb -0.24 -3.87 0.02 0.00 -0.11 0.00 0.00 41.96 37.76 1ghu s TYR 118 CO -0.02 -0.97 -0.09 -0.59 -1.11 0.00 0.00 175.55 172.77 1ghu s PHE 119 N 3.90 1.13 -0.21 2.71 -0.71 -0.67 -1.64 117.98 122.49 1ghu s PHE 119 Ca 0.47 -0.38 -0.16 0.00 -1.04 0.00 0.00 56.93 55.83 1ghu s PHE 119 Cb -0.12 -0.87 -0.10 0.00 -1.21 0.00 0.00 43.02 40.72 1ghu s PHE 119 CO 0.19 -0.22 -0.18 -0.11 -1.34 0.00 0.00 175.22 173.57 1ghu n LEU 120 N 3.83 1.90 0.00 -1.99 7.94 -1.26 -2.10 117.00 125.31 1ghu n LEU 120 Ca -0.23 0.43 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1ghu n LEU 120 Cb 0.52 -0.85 0.00 0.00 0.53 0.00 0.00 43.42 43.62 1ghu n LEU 120 CO 0.25 0.05 0.02 0.79 -1.11 0.00 0.00 177.39 177.39 1ghu n TRP 121 N -4.43 0.00 0.00 1.96 8.01 -1.26 -4.89 117.44 116.83 1ghu n TRP 121 Ca -0.28 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.91 1ghu n TRP 121 Cb 0.60 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.90 1ghu n TRP 121 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.69 178.01 1ghu n VAL 122 N -0.17 0.00 -2.69 -0.99 0.24 -1.26 -5.11 118.33 108.35 1ghu n VAL 122 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1ghu n VAL 122 Cb 0.00 -0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 32.06 1ghu n VAL 122 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ghu s VAL 123 N -1.75 4.74 0.45 3.34 0.11 -1.26 -4.94 120.40 121.08 1ghu s VAL 123 Ca 0.00 2.02 -0.03 0.00 -2.93 0.00 0.00 61.98 61.04 1ghu s VAL 123 Cb 0.00 -4.29 -0.03 0.00 -1.53 0.00 0.00 36.38 30.53 1ghu s VAL 123 CO 0.00 0.18 0.71 -1.59 -3.33 0.00 0.00 175.10 171.07 1ghu s LYS 124 N 0.83 3.40 -0.19 1.54 0.00 -1.26 -4.64 119.74 119.42 1ghu s LYS 124 Ca 0.52 -0.08 -0.04 0.00 0.00 0.00 0.00 55.97 56.37 1ghu s LYS 124 Cb -0.22 -2.48 0.10 0.00 0.00 0.00 0.00 37.83 35.22 1ghu s LYS 124 CO 0.28 -0.15 0.30 -0.06 0.00 0.00 0.00 175.35 175.73 1ghu s PHE 125 N -2.61 -0.54 0.61 1.78 0.08 -0.65 -4.93 117.98 111.71 1ghu s PHE 125 Ca 0.46 0.79 0.31 0.00 0.12 0.00 0.00 56.93 58.61 1ghu s PHE 125 Cb -0.10 -0.07 1.81 0.00 -0.57 0.00 0.00 43.02 44.09 1ghu s PHE 125 CO 0.41 -0.54 2.17 -0.97 -0.10 0.00 0.00 175.22 176.19 1ghu h ASN 126 N 8.25 0.00 -2.95 1.36 -0.73 -1.85 -1.53 115.58 118.13 1ghu h ASN 126 Ca -0.17 0.00 -0.49 0.00 1.87 0.00 0.00 56.30 57.51 1ghu h ASN 126 Cb 1.14 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 39.59 1ghu h ASN 126 CO 0.21 0.00 -0.66 -0.94 -0.37 0.00 0.00 177.43 175.67 1ghu s SER 127 N -5.71 2.73 0.20 1.15 1.04 -1.26 -4.62 113.70 107.22 1ghu s SER 127 Ca -0.05 -1.22 -0.12 0.00 0.48 0.00 0.00 55.95 55.05 1ghu s SER 127 Cb 0.14 -0.16 0.23 0.00 0.10 0.00 0.00 66.02 66.34 1ghu s SER 127 CO 0.51 -0.38 1.70 -0.07 0.98 0.00 0.00 173.24 175.98 1ghu h LEU 128 N 2.25 -0.09 -0.51 2.42 3.38 -1.96 -2.89 115.31 117.91 1ghu h LEU 128 Ca -0.40 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1ghu h LEU 128 Cb 1.23 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 1ghu h LEU 128 CO 0.68 -0.02 0.21 0.78 0.09 0.00 0.00 178.44 180.17 1ghu h ASN 129 N 0.19 0.70 0.03 -0.43 2.35 -1.97 -3.09 115.58 113.36 1ghu h ASN 129 Ca 0.28 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1ghu h ASN 129 Cb 0.41 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1ghu h ASN 129 CO -0.40 0.67 -0.05 -0.33 -1.65 0.00 0.00 177.43 175.67 1ghu h GLU 130 N 0.69 -0.10 -0.09 0.81 5.08 -1.89 -1.66 114.58 117.42 1ghu h GLU 130 Ca 0.17 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1ghu h GLU 130 Cb 0.19 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ghu h GLU 130 CO -0.02 -0.07 0.05 1.25 -1.00 0.00 0.00 179.01 179.23 1ghu h LEU 131 N -0.10 0.11 -0.53 1.33 5.85 -1.62 -2.82 115.31 117.53 1ghu h LEU 131 Ca 0.01 -0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.52 1ghu h LEU 131 Cb 0.12 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1ghu h LEU 131 CO -0.04 0.15 -0.43 1.62 -0.34 0.00 0.00 178.44 179.40 1ghu h VAL 132 N 0.06 1.29 -0.42 1.05 3.04 -1.56 -2.79 116.25 116.93 1ghu h VAL 132 Ca 0.03 -1.61 -0.02 0.00 -1.01 0.00 0.00 66.70 64.09 1ghu h VAL 132 Cb 0.06 1.53 -0.02 0.00 -2.01 0.00 0.00 31.29 30.85 1ghu h VAL 132 CO -0.01 0.52 0.19 0.44 -1.01 0.00 0.00 177.57 177.70 1ghu h ASP 133 N 0.57 0.52 0.28 3.17 3.32 -1.39 -1.12 116.42 121.77 1ghu h ASP 133 Ca 0.04 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ghu h ASP 133 Cb 0.97 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1ghu h ASP 133 CO 0.09 0.46 -0.22 0.22 -1.72 0.00 0.00 179.24 178.07 1ghu h TYR 134 N 0.58 -0.57 0.00 4.55 3.20 -1.36 -3.14 116.97 120.23 1ghu h TYR 134 Ca 0.15 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1ghu h TYR 134 Cb 0.08 0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1ghu h TYR 134 CO 0.00 -0.33 0.00 0.72 -1.64 0.00 0.00 178.16 176.91 1ghu n HIS 135 N -5.34 0.00 0.21 -3.82 8.25 -1.06 -1.26 115.22 112.20 1ghu n HIS 135 Ca -0.09 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.47 1ghu n HIS 135 Cb 0.25 -0.45 0.31 0.00 1.12 0.00 0.00 29.99 31.23 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 0.00 0.00 -0.41 3.08 -1.15 -3.32 114.38 112.57 1ghu h ARG 136 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.63 1ghu h ARG 136 Cb 0.26 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.24 1ghu h ARG 136 CO 0.00 0.16 -2.47 0.43 -1.07 0.00 0.00 179.97 177.02 1ghu n SER 137 N -3.20 1.95 -4.87 7.04 7.64 -1.13 -4.53 113.62 116.52 1ghu n SER 137 Ca 0.02 0.16 -0.30 0.00 1.01 0.00 0.00 58.87 59.75 1ghu n SER 137 Cb 0.50 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 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 -2.49 4.78 0.38 0.44 2.01 -0.39 -5.07 115.64 115.29 1ghu s THR 138 Ca -0.36 0.64 -0.22 0.00 0.31 0.00 0.00 61.69 62.06 1ghu s THR 138 Cb 0.12 -3.72 -0.10 0.00 0.01 0.00 0.00 72.50 68.81 1ghu s THR 138 CO 0.51 -0.49 0.93 -0.55 -0.69 0.00 0.00 174.62 174.33 1ghu s SER 139 N -3.08 7.06 -0.08 3.53 0.15 -1.26 -4.36 113.70 115.67 1ghu s SER 139 Ca 0.51 1.71 -0.20 0.00 0.70 0.00 0.00 55.95 58.67 1ghu s SER 139 Cb -0.10 -2.54 -0.16 0.00 -1.71 0.00 0.00 66.02 61.51 1ghu s SER 139 CO 0.30 -0.25 0.75 0.58 1.20 0.00 0.00 173.24 175.83 1ghu h VAL 140 N 2.16 0.96 -3.04 4.45 2.07 -1.82 -3.41 116.25 117.61 1ghu h VAL 140 Ca -0.48 -1.37 -0.62 0.00 0.82 0.00 0.00 66.70 65.04 1ghu h VAL 140 Cb 1.18 1.69 -0.13 0.00 -1.52 0.00 0.00 31.29 32.50 1ghu h VAL 140 CO 0.63 0.28 0.50 -0.55 0.02 0.00 0.00 177.57 178.44 1ghu s SER 141 N -5.65 6.28 0.24 0.57 0.15 -1.26 -4.98 113.70 109.05 1ghu s SER 141 Ca -0.12 -0.61 -0.07 0.00 0.70 0.00 0.00 55.95 55.85 1ghu s SER 141 Cb -0.00 -2.41 0.25 0.00 -1.71 0.00 0.00 66.02 62.14 1ghu s SER 141 CO 0.47 -1.25 1.92 0.08 1.20 0.00 0.00 173.24 175.66 1ghu h ARG 142 N 9.35 1.27 0.26 5.44 -0.00 -1.97 -3.26 114.38 125.48 1ghu h ARG 142 Ca -0.27 -0.08 -0.01 0.00 -0.00 0.00 0.00 59.98 59.62 1ghu h ARG 142 Cb 1.08 -0.29 0.00 0.00 -0.00 0.00 0.00 29.97 30.76 1ghu h ARG 142 CO 1.10 0.84 -0.13 -2.95 -0.00 0.00 0.00 179.97 178.84 1ghu h ASN 143 N 1.31 -0.30 -3.17 0.08 7.08 -1.99 -3.41 115.58 115.19 1ghu h ASN 143 Ca 0.36 0.01 -0.69 0.00 -3.08 0.00 0.00 56.30 52.90 1ghu h ASN 143 Cb -0.15 0.08 -0.18 0.00 -2.08 0.00 0.00 38.32 35.99 1ghu h ASN 143 CO -0.08 -0.02 0.08 -1.10 -2.08 0.00 0.00 177.43 174.23 1ghu s GLN 144 N -2.77 3.11 -0.31 4.14 -0.21 -1.25 -5.04 119.66 117.32 1ghu s GLN 144 Ca -0.05 -0.97 -0.29 0.00 0.02 0.00 0.00 55.36 54.07 1ghu s GLN 144 Cb 0.01 -4.14 0.01 0.00 1.00 0.00 0.00 33.01 29.89 1ghu s GLN 144 CO 0.15 -1.30 1.22 -0.65 -2.12 0.00 0.00 175.29 172.59 1ghu s GLN 145 N 2.69 3.96 -0.07 2.91 -0.21 -1.23 -4.54 119.66 123.17 1ghu s GLN 145 Ca 0.15 1.16 0.05 0.00 0.02 0.00 0.00 55.36 56.74 1ghu s GLN 145 Cb -0.20 -3.83 -0.01 0.00 1.00 0.00 0.00 33.01 29.97 1ghu s GLN 145 CO 0.11 -1.06 -0.24 0.42 -2.12 0.00 0.00 175.29 172.41 1ghu s ILE 146 N 4.12 1.97 0.18 1.08 -1.09 -1.26 -5.05 121.20 121.15 1ghu s ILE 146 Ca 0.52 -1.00 0.11 0.00 -2.23 0.00 0.00 60.65 58.05 1ghu s ILE 146 Cb -0.15 -1.68 -0.04 0.00 -1.58 0.00 0.00 42.46 39.01 1ghu s ILE 146 CO 0.21 0.55 -0.22 -0.36 -1.23 0.00 0.00 174.94 173.88 1ghu s PHE 147 N 0.04 2.35 0.16 3.97 0.08 -1.26 -3.29 117.98 120.03 1ghu s PHE 147 Ca -0.09 -0.34 -0.18 0.00 0.12 0.00 0.00 56.93 56.44 1ghu s PHE 147 Cb -0.15 -1.18 -0.07 0.00 -0.57 0.00 0.00 43.02 41.04 1ghu s PHE 147 CO 0.05 0.47 0.63 -0.51 -0.10 0.00 0.00 175.22 175.77 1ghu s LEU 148 N -2.58 4.39 0.01 -0.37 1.02 -1.25 -4.01 118.68 115.88 1ghu s LEU 148 Ca 0.20 1.27 0.03 0.00 0.02 0.00 0.00 54.13 55.65 1ghu s LEU 148 Cb -0.08 -3.32 -0.01 0.00 0.02 0.00 0.00 46.19 42.79 1ghu s LEU 148 CO 0.10 0.11 -0.10 -0.13 0.02 0.00 0.00 176.35 176.35 1ghu s ARG 149 N -1.78 0.74 0.34 1.70 1.81 -0.71 -4.82 118.95 116.23 1ghu s ARG 149 Ca 0.38 -0.49 -0.27 0.00 -1.72 0.00 0.00 55.73 53.64 1ghu s ARG 149 Cb -0.17 -0.69 -0.09 0.00 -0.45 0.00 0.00 34.95 33.55 1ghu s ARG 149 CO 0.20 0.18 1.04 0.34 -0.68 0.00 0.00 175.30 176.38 1ghu s ASP 150 N -0.64 7.08 0.52 0.23 2.15 -1.26 -3.04 116.67 121.71 1ghu s ASP 150 Ca 0.01 2.07 -0.22 0.00 0.43 0.00 0.00 52.55 54.84 1ghu s ASP 150 Cb -0.05 -2.60 -0.05 0.00 -0.30 0.00 0.00 42.92 39.91 1ghu s ASP 150 CO 0.00 -0.26 1.31 0.27 -0.17 0.00 0.00 175.17 176.32 1ghu s ILE 151 N -1.46 2.32 -2.19 4.11 -4.36 -1.26 -4.88 121.20 113.49 1ghu s ILE 151 Ca 0.51 0.24 0.31 0.00 -0.26 0.00 0.00 60.65 61.45 1ghu s ILE 151 Cb -0.25 -3.12 0.78 0.00 1.25 0.00 0.00 42.46 41.11 1ghu s ILE 151 CO 0.32 -0.00 2.05 1.21 0.24 0.00 0.00 174.94 178.75