#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 0.00 1.61 1.04 -1.26 -4.57 113.70 116.71 1ghu s SER 59 Ca 0.00 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1ghu s SER 59 Cb 0.00 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1ghu s SER 59 CO 0.00 -1.47 0.00 -2.67 0.98 0.00 0.00 173.24 170.08 1ghu n TRP 60 N 7.83 0.00 -2.74 5.02 2.14 -1.26 -4.90 117.44 123.52 1ghu n TRP 60 Ca -0.02 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.13 1ghu n TRP 60 Cb 0.46 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.93 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 -1.00 3.60 0.00 -2.67 5.36 -1.26 -2.41 117.98 119.59 1ghu s PHE 61 Ca 0.00 1.61 0.00 0.00 -0.96 0.00 0.00 56.93 57.58 1ghu s PHE 61 Cb 0.00 -3.11 0.00 0.00 -0.34 0.00 0.00 43.02 39.57 1ghu s PHE 61 CO 0.00 -0.07 0.00 1.19 -1.46 0.00 0.00 175.22 174.88 1ghu n PHE 62 N 4.27 0.00 0.00 10.12 3.01 -1.04 -4.98 117.46 128.84 1ghu n PHE 62 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1ghu n PHE 62 Cb 0.50 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 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 2.06 -1.58 2.42 1.37 0.00 -1.26 -5.04 105.19 103.16 1ghu n GLY 63 Ca 0.00 0.77 -0.27 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 0.88 0.08 1.61 2.20 -1.26 -2.80 119.74 120.45 1ghu s LYS 64 Ca 0.00 -1.98 0.04 0.00 -0.36 0.00 0.00 55.97 53.66 1ghu s LYS 64 Cb 0.00 -1.46 -0.04 0.00 -1.51 0.00 0.00 37.83 34.82 1ghu s LYS 64 CO 0.00 -1.35 0.03 0.96 -0.36 0.00 0.00 175.35 174.64 1ghu s ILE 65 N 0.23 4.24 0.96 5.43 -4.36 -1.26 -4.95 121.20 121.48 1ghu s ILE 65 Ca 0.29 -0.87 -0.12 0.00 -0.26 0.00 0.00 60.65 59.69 1ghu s ILE 65 Cb -0.02 -3.02 0.16 0.00 1.25 0.00 0.00 42.46 40.83 1ghu s ILE 65 CO -0.15 0.14 1.10 -2.16 0.24 0.00 0.00 174.94 174.11 1ghu s PRO 66 N -2.30 0.77 0.23 0.37 0.04 -1.26 -4.70 135.00 128.15 1ghu s PRO 66 Ca 0.27 0.49 -0.07 0.00 0.04 0.00 0.00 61.00 61.72 1ghu s PRO 66 Cb -0.12 -1.78 0.19 0.00 0.04 0.00 0.00 34.50 32.83 1ghu s PRO 66 CO 0.19 -2.49 1.83 -0.09 0.04 0.00 0.00 177.00 176.49 1ghu h ARG 67 N -1.72 1.23 -0.62 4.56 2.43 -2.00 -2.49 114.38 115.77 1ghu h ARG 67 Ca -0.53 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 58.41 1ghu h ARG 67 Cb 1.32 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 1ghu h ARG 67 CO 0.59 0.92 0.12 0.00 -1.51 0.00 0.00 179.97 180.08 1ghu h ALA 68 N 1.24 0.82 -0.48 2.80 0.00 -1.99 -2.15 119.26 119.50 1ghu h ALA 68 Ca 0.30 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1ghu h ALA 68 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ghu h ALA 68 CO -0.04 0.56 0.06 -0.22 0.00 0.00 0.00 179.25 179.60 1ghu h LYS 69 N 0.92 0.75 0.21 0.00 1.63 -1.93 -1.89 116.57 116.27 1ghu h LYS 69 Ca 0.19 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1ghu h LYS 69 Cb 0.41 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1ghu h LYS 69 CO 0.01 0.73 -0.10 0.00 -3.45 0.00 0.00 179.45 176.64 1ghu h ALA 70 N 1.35 -0.28 -0.85 5.00 0.00 -1.42 -2.97 119.26 120.08 1ghu h ALA 70 Ca 0.15 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.08 1ghu h ALA 70 Cb 0.36 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1ghu h ALA 70 CO 0.01 -0.56 0.56 0.93 0.00 0.00 0.00 179.25 180.18 1ghu h GLU 71 N -0.47 0.57 0.01 0.00 5.08 -1.42 -2.72 114.58 115.63 1ghu h GLU 71 Ca -0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1ghu h GLU 71 Cb 0.35 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1ghu h GLU 71 CO 0.05 0.38 -0.00 1.49 -1.00 0.00 0.00 179.01 179.92 1ghu h GLU 72 N 0.59 -0.01 0.07 2.33 4.81 -1.35 -2.05 114.58 118.97 1ghu h GLU 72 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1ghu h GLU 72 Cb 0.80 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1ghu h GLU 72 CO -0.18 0.03 -0.08 0.52 -0.73 0.00 0.00 179.01 178.58 1ghu h MET 73 N -0.05 -0.16 -0.24 1.92 2.86 -1.35 -3.22 114.93 114.69 1ghu h MET 73 Ca -0.00 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1ghu h MET 73 Cb 0.05 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1ghu h MET 73 CO 0.00 -0.11 -0.13 -0.07 1.06 0.00 0.00 176.91 177.67 1ghu h LEU 74 N -0.17 0.37 -1.46 1.22 -0.00 -1.57 -3.06 115.31 110.65 1ghu h LEU 74 Ca 0.01 -0.09 0.15 0.00 -0.00 0.00 0.00 57.88 57.95 1ghu h LEU 74 Cb 0.17 -0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 40.67 1ghu h LEU 74 CO -0.03 0.54 0.54 -1.28 -0.00 0.00 0.00 178.44 178.21 1ghu h SER 75 N 0.37 0.49 -0.83 -0.43 0.87 -1.38 -2.29 113.55 110.35 1ghu h SER 75 Ca 0.07 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1ghu h SER 75 Cb 0.45 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 1ghu h SER 75 CO 0.03 0.25 0.48 0.11 -0.53 0.00 0.00 176.83 177.16 1ghu h LYS 76 N 0.52 1.14 -6.28 2.24 1.79 -1.56 -3.44 116.57 110.98 1ghu h LYS 76 Ca 0.41 -0.12 -0.55 0.00 -2.18 0.00 0.00 60.65 58.21 1ghu h LYS 76 Cb 0.84 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 1ghu h LYS 76 CO -0.16 0.82 0.89 -0.65 -1.08 0.00 0.00 179.45 179.27 1ghu s GLN 77 N -5.91 4.25 0.00 3.15 1.11 -0.86 -4.96 119.66 116.44 1ghu s GLN 77 Ca -0.13 1.90 0.16 0.00 0.01 0.00 0.00 55.36 57.30 1ghu s GLN 77 Cb 0.16 -3.71 0.74 0.00 -1.01 0.00 0.00 33.01 29.18 1ghu s GLN 77 CO 0.81 -0.66 1.51 2.89 0.01 0.00 0.00 175.29 179.85 1ghu n ARG 78 N 6.08 0.07 -3.31 2.91 0.00 -1.26 -4.95 116.66 116.19 1ghu n ARG 78 Ca 0.14 0.19 -0.37 0.00 -0.00 0.00 0.00 57.85 57.82 1ghu n ARG 78 Cb 0.44 -1.50 -0.06 0.00 -0.00 0.00 0.00 32.46 31.34 1ghu n ARG 78 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1ghu s HIS 79 N -2.87 3.70 -0.29 2.89 3.76 -1.26 -4.99 115.29 116.23 1ghu s HIS 79 Ca 0.10 1.17 -0.29 0.00 -0.15 0.00 0.00 55.06 55.89 1ghu s HIS 79 Cb 0.11 -2.43 0.01 0.00 1.11 0.00 0.00 32.58 31.37 1ghu s HIS 79 CO 0.28 0.50 1.14 -0.51 -0.85 0.00 0.00 174.74 175.30 1ghu s ASP 80 N -1.43 6.89 0.00 1.40 1.11 -1.26 -3.21 116.67 120.16 1ghu s ASP 80 Ca 0.34 1.17 0.00 0.00 0.18 0.00 0.00 52.55 54.24 1ghu s ASP 80 Cb -0.17 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.28 1ghu s ASP 80 CO 0.19 -0.90 0.00 0.61 1.18 0.00 0.00 175.17 176.25 1ghu n GLY 81 N 3.90 0.66 3.65 0.21 0.00 -0.30 -4.66 105.19 108.64 1ghu n GLY 81 Ca 0.13 0.00 -0.42 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 -2.00 3.43 0.11 4.61 0.00 -1.14 -1.42 121.76 125.35 1ghu s ALA 82 Ca 0.00 0.88 0.05 0.00 0.00 0.00 0.00 51.96 52.88 1ghu s ALA 82 Cb 0.00 -3.83 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 1ghu s ALA 82 CO 0.00 -1.72 -0.12 -0.59 0.00 0.00 0.00 175.76 173.34 1ghu s PHE 83 N 4.85 1.20 -0.10 0.00 -0.71 -1.18 -1.29 117.98 120.76 1ghu s PHE 83 Ca 0.79 -0.61 -0.09 0.00 -1.04 0.00 0.00 56.93 55.97 1ghu s PHE 83 Cb -0.33 -0.64 0.03 0.00 -1.21 0.00 0.00 43.02 40.87 1ghu s PHE 83 CO 0.32 0.06 0.27 -0.48 -1.34 0.00 0.00 175.22 174.05 1ghu s LEU 84 N -2.45 0.90 -0.26 -1.99 0.05 -1.04 -4.49 118.68 109.39 1ghu s LEU 84 Ca 0.07 0.55 -0.16 0.00 0.05 0.00 0.00 54.13 54.64 1ghu s LEU 84 Cb -0.04 0.91 -0.03 0.00 -2.05 0.00 0.00 46.19 44.98 1ghu s LEU 84 CO 0.01 -0.10 0.43 -0.63 -0.55 0.00 0.00 176.35 175.51 1ghu s ILE 85 N 0.27 5.14 0.02 1.48 1.09 -1.01 -1.61 121.20 126.58 1ghu s ILE 85 Ca -0.01 0.71 0.01 0.00 -1.10 0.00 0.00 60.65 60.26 1ghu s ILE 85 Cb -0.03 -3.75 -0.04 0.00 -1.06 0.00 0.00 42.46 37.58 1ghu s ILE 85 CO -0.01 0.14 0.05 0.00 -0.10 0.00 0.00 174.94 175.02 1ghu s ARG 86 N 2.06 2.90 0.04 2.79 1.70 -0.85 -2.50 118.95 125.08 1ghu s ARG 86 Ca 0.18 -0.59 -0.30 0.00 -0.47 0.00 0.00 55.73 54.55 1ghu s ARG 86 Cb -0.16 -2.75 -0.04 0.00 -0.57 0.00 0.00 34.95 31.44 1ghu s ARG 86 CO 0.09 0.62 0.98 -2.00 -1.08 0.00 0.00 175.30 173.91 1ghu s GLU 87 N -1.84 4.60 0.22 3.89 2.12 -1.12 -1.24 118.70 125.32 1ghu s GLU 87 Ca 0.23 1.44 -0.31 0.00 0.36 0.00 0.00 54.97 56.69 1ghu s GLU 87 Cb -0.12 -3.43 -0.10 0.00 0.26 0.00 0.00 34.13 30.74 1ghu s GLU 87 CO 0.15 0.02 1.55 0.45 -0.54 0.00 0.00 175.26 176.89 1ghu s SER 88 N 0.71 6.55 -0.00 -1.70 0.15 -0.64 -4.28 113.70 114.48 1ghu s SER 88 Ca 0.51 2.72 -0.25 0.00 0.70 0.00 0.00 55.95 59.63 1ghu s SER 88 Cb -0.22 -2.61 -0.18 0.00 -1.71 0.00 0.00 66.02 61.30 1ghu s SER 88 CO 0.29 -0.82 1.25 -0.33 1.20 0.00 0.00 173.24 174.83 1ghu h GLU 89 N 5.92 -0.17 -0.35 5.44 4.39 -1.90 -3.26 114.58 124.65 1ghu h GLU 89 Ca -0.44 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.20 1ghu h GLU 89 Cb 1.21 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1ghu h GLU 89 CO 0.86 0.20 -0.06 1.03 -1.16 0.00 0.00 179.01 179.88 1ghu h SER 90 N -0.59 0.55 -3.66 1.42 0.87 -1.99 -3.40 113.55 106.75 1ghu h SER 90 Ca -0.02 -0.13 -0.68 0.00 -1.23 0.00 0.00 61.79 59.73 1ghu h SER 90 Cb 0.46 -0.15 -0.37 0.00 -0.44 0.00 0.00 62.40 61.90 1ghu h SER 90 CO 0.03 0.66 -0.59 0.00 -0.53 0.00 0.00 176.83 176.41 1ghu s ALA 91 N -4.87 3.13 0.43 6.23 0.00 -1.23 -5.02 121.76 120.43 1ghu s ALA 91 Ca -0.08 -2.66 0.09 0.00 0.00 0.00 0.00 51.96 49.31 1ghu s ALA 91 Cb 0.15 -2.29 0.92 0.00 0.00 0.00 0.00 23.12 21.90 1ghu s ALA 91 CO 0.78 -1.81 2.07 -1.35 0.00 0.00 0.00 175.76 175.45 1ghu h PRO 92 N 7.72 0.46 -1.92 0.00 0.11 -1.79 -3.01 132.00 133.56 1ghu h PRO 92 Ca -0.09 -0.03 -0.36 0.00 0.11 0.00 0.00 66.00 65.63 1ghu h PRO 92 Cb 1.02 -0.10 -0.13 0.00 0.11 0.00 0.00 31.00 31.89 1ghu h PRO 92 CO 0.65 0.30 0.17 0.41 -0.21 0.00 0.00 178.00 179.32 1ghu n GLY 93 N -1.49 3.85 3.47 -0.55 0.00 -1.26 -4.83 105.19 104.38 1ghu n GLY 93 Ca 0.02 -1.48 -0.07 0.00 0.00 0.00 0.00 46.02 44.49 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 0.85 -0.74 0.54 1.61 2.15 -1.14 -4.49 116.67 115.46 1ghu s ASP 94 Ca 0.53 1.26 0.01 0.00 0.43 0.00 0.00 52.55 54.78 1ghu s ASP 94 Cb 0.32 1.35 0.03 0.00 -0.30 0.00 0.00 42.92 44.32 1ghu s ASP 94 CO -0.12 -0.22 0.77 -0.36 -0.17 0.00 0.00 175.17 175.07 1ghu s PHE 95 N 1.93 2.92 -0.19 -5.34 0.40 -1.08 -1.62 117.98 115.01 1ghu s PHE 95 Ca -0.08 0.05 -0.05 0.00 -0.60 0.00 0.00 56.93 56.26 1ghu s PHE 95 Cb -0.08 -2.70 0.10 0.00 0.51 0.00 0.00 43.02 40.85 1ghu s PHE 95 CO -0.16 -0.81 0.34 -1.12 0.70 0.00 0.00 175.22 174.16 1ghu s SER 96 N -4.39 0.28 -0.41 1.36 0.01 -0.37 -1.62 113.70 108.56 1ghu s SER 96 Ca 0.56 0.49 -0.28 0.00 1.31 0.00 0.00 55.95 58.03 1ghu s SER 96 Cb -0.10 0.97 0.02 0.00 0.21 0.00 0.00 66.02 67.12 1ghu s SER 96 CO 0.39 -0.27 1.07 -0.22 0.41 0.00 0.00 173.24 174.62 1ghu s LEU 97 N 2.50 3.82 -1.08 2.44 2.96 -0.68 -2.01 118.68 126.64 1ghu s LEU 97 Ca 0.05 0.65 -0.13 0.00 -0.22 0.00 0.00 54.13 54.48 1ghu s LEU 97 Cb -0.14 -3.48 0.21 0.00 0.50 0.00 0.00 46.19 43.29 1ghu s LEU 97 CO -0.12 -1.05 1.18 -0.44 -1.32 0.00 0.00 176.35 174.60 1ghu s SER 98 N 2.09 7.04 -0.29 3.68 0.01 -0.63 -1.80 113.70 123.80 1ghu s SER 98 Ca 0.45 -3.00 -0.07 0.00 1.31 0.00 0.00 55.95 54.64 1ghu s SER 98 Cb -0.10 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1ghu s SER 98 CO 0.24 -0.62 0.08 0.54 0.41 0.00 0.00 173.24 173.89 1ghu s VAL 99 N 0.61 4.03 0.37 3.43 0.11 -0.95 -2.49 120.40 125.50 1ghu s VAL 99 Ca 0.34 -0.61 -0.25 0.00 -2.93 0.00 0.00 61.98 58.53 1ghu s VAL 99 Cb -0.07 -3.04 -0.10 0.00 -1.53 0.00 0.00 36.38 31.65 1ghu s VAL 99 CO -0.05 0.12 1.00 -0.75 -3.33 0.00 0.00 175.10 172.09 1ghu s LYS 100 N 1.52 4.35 -0.28 1.54 2.20 -0.41 -1.54 119.74 127.12 1ghu s LYS 100 Ca 0.03 1.41 -0.00 0.00 -0.36 0.00 0.00 55.97 57.05 1ghu s LYS 100 Cb -0.17 -2.63 0.14 0.00 -1.51 0.00 0.00 37.83 33.67 1ghu s LYS 100 CO 0.03 0.05 0.33 0.12 -0.36 0.00 0.00 175.35 175.52 1ghu s PHE 101 N -1.68 -0.64 0.00 4.03 2.19 -1.08 -1.15 117.98 119.65 1ghu s PHE 101 Ca 0.55 0.07 0.00 0.00 0.33 0.00 0.00 56.93 57.88 1ghu s PHE 101 Cb -0.20 -0.33 0.00 0.00 -1.31 0.00 0.00 43.02 41.19 1ghu s PHE 101 CO 0.25 -0.91 0.00 0.41 1.83 0.00 0.00 175.22 176.80 1ghu n GLY 102 N 5.33 1.29 0.00 13.12 0.00 -1.26 -4.15 105.19 119.51 1ghu n GLY 102 Ca -0.02 -0.60 0.03 0.00 0.00 0.00 0.00 46.02 45.44 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 3.04 0.93 -4.41 1.61 0.23 -1.26 -4.87 115.26 110.52 1ghu n ASN 103 Ca 0.00 -0.54 -0.31 0.00 -0.53 0.00 0.00 54.58 53.20 1ghu n ASN 103 Cb 0.00 1.07 -0.14 0.00 -2.08 0.00 0.00 39.78 38.63 1ghu n ASN 103 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1ghu s ASP 104 N -1.91 3.62 -0.42 0.53 1.01 -1.26 -5.09 116.67 113.15 1ghu s ASP 104 Ca 0.02 -0.38 -0.20 0.00 0.71 0.00 0.00 52.55 52.70 1ghu s ASP 104 Cb 0.05 -0.59 0.02 0.00 1.01 0.00 0.00 42.92 43.42 1ghu s ASP 104 CO 0.30 0.30 0.59 -0.69 0.21 0.00 0.00 175.17 175.88 1ghu s VAL 105 N -0.77 4.90 -0.37 -1.27 1.01 -1.26 -2.64 120.40 120.01 1ghu s VAL 105 Ca 0.12 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 1ghu s VAL 105 Cb -0.10 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.15 1ghu s VAL 105 CO 0.02 -0.50 0.23 -1.58 0.00 0.00 0.00 175.10 173.26 1ghu s GLN 106 N 2.63 3.10 -0.45 2.72 2.00 -0.59 -4.92 119.66 124.14 1ghu s GLN 106 Ca 0.20 -0.91 -0.19 0.00 -2.00 0.00 0.00 55.36 52.47 1ghu s GLN 106 Cb -0.15 -3.78 0.03 0.00 0.80 0.00 0.00 33.01 29.91 1ghu s GLN 106 CO 0.17 -0.61 0.54 -1.01 -0.50 0.00 0.00 175.29 173.88 1ghu s HIS 107 N 1.63 3.12 -0.18 1.67 3.76 -1.26 -2.24 115.29 121.79 1ghu s HIS 107 Ca 0.04 -0.36 -0.08 0.00 -0.15 0.00 0.00 55.06 54.52 1ghu s HIS 107 Cb -0.18 -3.18 -0.04 0.00 1.11 0.00 0.00 32.58 30.28 1ghu s HIS 107 CO 0.08 -0.83 0.07 -0.06 -0.85 0.00 0.00 174.74 173.15 1ghu s PHE 108 N 2.42 3.28 -0.31 1.40 0.08 -0.75 -4.98 117.98 119.12 1ghu s PHE 108 Ca 0.15 0.13 -0.29 0.00 0.12 0.00 0.00 56.93 57.04 1ghu s PHE 108 Cb -0.17 -2.08 0.01 0.00 -0.57 0.00 0.00 43.02 40.21 1ghu s PHE 108 CO 0.14 0.20 1.20 -1.59 -0.10 0.00 0.00 175.22 175.07 1ghu s LYS 109 N 0.29 3.98 -0.45 0.44 -2.85 -1.26 -1.68 119.74 118.21 1ghu s LYS 109 Ca 0.04 1.15 -0.25 0.00 -1.00 0.00 0.00 55.97 55.91 1ghu s LYS 109 Cb -0.12 -3.82 0.03 0.00 -2.06 0.00 0.00 37.83 31.86 1ghu s LYS 109 CO -0.00 -1.03 0.90 0.08 0.10 0.00 0.00 175.35 175.40 1ghu s VAL 110 N 4.04 4.51 -0.02 1.79 1.01 -0.64 -4.81 120.40 126.29 1ghu s VAL 110 Ca 0.51 0.72 -0.19 0.00 0.00 0.00 0.00 61.98 63.02 1ghu s VAL 110 Cb -0.14 -4.41 -0.05 0.00 0.00 0.00 0.00 36.38 31.78 1ghu s VAL 110 CO 0.20 -0.79 0.52 -0.76 0.00 0.00 0.00 175.10 174.27 1ghu s LEU 111 N 3.65 4.41 -0.20 3.92 1.43 -0.93 -2.62 118.68 128.34 1ghu s LEU 111 Ca 0.36 1.06 -0.01 0.00 -1.03 0.00 0.00 54.13 54.50 1ghu s LEU 111 Cb -0.11 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.33 1ghu s LEU 111 CO 0.25 0.15 -0.13 -0.13 0.23 0.00 0.00 176.35 176.73 1ghu s ARG 112 N -0.33 3.08 -0.04 1.70 0.52 -1.26 -1.14 118.95 121.47 1ghu s ARG 112 Ca 0.28 -0.80 -0.00 0.00 -0.52 0.00 0.00 55.73 54.69 1ghu s ARG 112 Cb -0.17 -2.78 -0.00 0.00 0.52 0.00 0.00 34.95 32.52 1ghu s ARG 112 CO 0.15 -0.24 0.01 0.38 0.02 0.00 0.00 175.30 175.61 1ghu h ASP 113 N 8.00 -0.00 0.00 0.23 2.03 -1.90 -3.47 116.42 121.31 1ghu h ASP 113 Ca -0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 1ghu h ASP 113 Cb 1.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1ghu h ASP 113 CO 0.61 0.19 0.00 0.61 -1.03 0.00 0.00 179.24 179.63 1ghu n GLY 114 N 1.90 0.94 0.01 7.15 0.00 -1.26 -4.99 105.19 108.95 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 h ALA 115 N -2.00 -0.01 -1.13 4.61 0.00 -2.02 -3.46 119.26 115.26 1ghu h ALA 115 Ca 0.00 -0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.51 1ghu h ALA 115 Cb 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.51 1ghu h ALA 115 CO 0.00 -0.01 -0.82 0.41 0.00 0.00 0.00 179.25 178.83 1ghu n GLY 116 N 1.92 1.52 3.31 0.00 0.00 -1.26 -5.03 105.19 105.65 1ghu n GLY 116 Ca -0.00 -0.77 -0.45 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.27 2.90 -0.54 1.61 3.01 -1.26 -4.69 119.74 120.50 1ghu s LYS 117 Ca 0.33 -1.64 -0.26 0.00 -1.01 0.00 0.00 55.97 53.40 1ghu s LYS 117 Cb 0.19 -4.20 0.03 0.00 -1.01 0.00 0.00 37.83 32.84 1ghu s LYS 117 CO -0.17 -1.24 1.03 0.71 0.51 0.00 0.00 175.35 176.19 1ghu s TYR 118 N 1.57 2.75 -0.26 3.18 2.02 -0.80 -2.94 117.35 122.87 1ghu s TYR 118 Ca 0.04 0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 56.93 1ghu s TYR 118 Cb -0.28 -4.22 0.03 0.00 -0.40 0.00 0.00 41.96 37.09 1ghu s TYR 118 CO 0.03 -1.39 -0.04 -0.59 -1.57 0.00 0.00 175.55 172.00 1ghu s PHE 119 N 4.27 3.09 -0.11 2.71 -0.71 -0.29 -1.97 117.98 124.96 1ghu s PHE 119 Ca 0.36 -1.52 -0.05 0.00 -1.04 0.00 0.00 56.93 54.69 1ghu s PHE 119 Cb -0.10 -2.08 -0.05 0.00 -1.21 0.00 0.00 43.02 39.57 1ghu s PHE 119 CO 0.23 -0.72 -0.14 -0.11 -1.34 0.00 0.00 175.22 173.14 1ghu n LEU 120 N 4.69 1.02 0.00 -1.99 7.94 -1.26 -2.18 117.00 125.22 1ghu n LEU 120 Ca -0.16 0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 1ghu n LEU 120 Cb 0.47 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.09 1ghu n LEU 120 CO 0.27 0.28 0.00 1.87 -1.11 0.00 0.00 177.39 178.70 1ghu n TRP 121 N -3.42 0.00 0.17 1.96 -0.00 -1.26 -4.97 117.44 109.92 1ghu n TRP 121 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.28 1ghu n TRP 121 Cb 0.66 -0.10 0.00 0.00 -0.00 0.00 0.00 31.31 31.87 1ghu n TRP 121 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 177.69 179.24 1ghu n VAL 122 N -1.74 0.00 -2.10 5.87 3.14 -1.26 -5.14 118.33 117.09 1ghu n VAL 122 Ca 0.00 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 1ghu n VAL 122 Cb 0.00 -0.33 -0.01 0.00 -1.06 0.00 0.00 33.84 32.44 1ghu n VAL 122 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1ghu s VAL 123 N -1.96 4.54 0.15 1.55 -7.23 -1.26 -5.05 120.40 111.13 1ghu s VAL 123 Ca 0.00 1.02 -0.30 0.00 -1.81 0.00 0.00 61.98 60.89 1ghu s VAL 123 Cb 0.00 -3.75 -0.07 0.00 0.56 0.00 0.00 36.38 33.13 1ghu s VAL 123 CO 0.00 -0.88 0.96 -0.54 -0.31 0.00 0.00 175.10 174.33 1ghu s LYS 124 N -4.60 4.74 -0.34 4.82 -0.14 -1.26 -4.56 119.74 118.40 1ghu s LYS 124 Ca 0.57 1.47 0.02 0.00 -1.36 0.00 0.00 55.97 56.68 1ghu s LYS 124 Cb -0.11 -3.35 0.10 0.00 -1.68 0.00 0.00 37.83 32.79 1ghu s LYS 124 CO 0.43 0.29 0.08 -0.06 -0.76 0.00 0.00 175.35 175.32 1ghu s PHE 125 N -0.30 2.97 0.22 3.18 0.08 -0.83 -5.01 117.98 118.29 1ghu s PHE 125 Ca 0.46 -2.54 -0.09 0.00 0.12 0.00 0.00 56.93 54.87 1ghu s PHE 125 Cb -0.24 -2.47 0.19 0.00 -0.57 0.00 0.00 43.02 39.93 1ghu s PHE 125 CO 0.31 -0.91 1.88 -2.95 -0.10 0.00 0.00 175.22 173.44 1ghu h ASN 126 N 7.73 0.99 -3.09 1.36 7.08 -1.88 -2.14 115.58 125.63 1ghu h ASN 126 Ca -0.07 -0.05 -0.55 0.00 -3.08 0.00 0.00 56.30 52.55 1ghu h ASN 126 Cb 1.01 -0.25 -0.02 0.00 -2.08 0.00 0.00 38.32 36.98 1ghu h ASN 126 CO 0.51 0.74 -0.27 -0.44 -2.08 0.00 0.00 177.43 175.89 1ghu s SER 127 N -6.02 6.45 0.32 6.14 0.01 -1.26 -4.28 113.70 115.06 1ghu s SER 127 Ca -0.13 0.58 0.03 0.00 1.31 0.00 0.00 55.95 57.74 1ghu s SER 127 Cb 0.16 -2.09 0.53 0.00 0.21 0.00 0.00 66.02 64.84 1ghu s SER 127 CO 0.80 -0.04 1.83 0.25 0.41 0.00 0.00 173.24 176.49 1ghu h LEU 128 N 2.27 0.52 -1.13 2.44 5.85 -1.91 -2.86 115.31 120.49 1ghu h LEU 128 Ca -0.47 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.09 1ghu h LEU 128 Cb 1.18 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1ghu h LEU 128 CO 0.69 0.63 0.09 -1.13 -0.34 0.00 0.00 178.44 178.38 1ghu h ASN 129 N 0.51 0.65 -0.11 1.25 -1.24 -1.97 -1.96 115.58 112.72 1ghu h ASN 129 Ca 0.10 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1ghu h ASN 129 Cb 0.41 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 1ghu h ASN 129 CO 0.02 0.67 0.07 -0.33 -1.29 0.00 0.00 177.43 176.57 1ghu h GLU 130 N 0.68 0.14 0.03 6.67 5.08 -1.89 -1.41 114.58 123.88 1ghu h GLU 130 Ca 0.15 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1ghu h GLU 130 Cb 0.29 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1ghu h GLU 130 CO 0.00 0.10 -0.01 1.25 -1.00 0.00 0.00 179.01 179.35 1ghu h LEU 131 N 0.14 -0.03 0.93 1.33 5.85 -1.49 -2.71 115.31 119.33 1ghu h LEU 131 Ca 0.04 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1ghu h LEU 131 Cb -0.01 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.04 1ghu h LEU 131 CO -0.01 0.02 -0.45 0.58 -0.34 0.00 0.00 178.44 178.24 1ghu h VAL 132 N -0.08 0.00 -0.24 1.05 2.07 -1.43 -3.05 116.25 114.57 1ghu h VAL 132 Ca -0.00 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1ghu h VAL 132 Cb 0.07 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1ghu h VAL 132 CO 0.01 0.00 0.16 -0.78 0.02 0.00 0.00 177.57 176.98 1ghu h ASP 133 N -1.32 0.20 0.34 0.57 3.58 -1.36 -1.79 116.42 116.64 1ghu h ASP 133 Ca -0.13 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 1ghu h ASP 133 Cb 0.96 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1ghu h ASP 133 CO 0.21 0.14 -0.16 0.22 -2.88 0.00 0.00 179.24 176.77 1ghu h TYR 134 N 0.24 -0.42 0.00 0.28 3.20 -1.57 -3.30 116.97 115.40 1ghu h TYR 134 Ca 0.10 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1ghu h TYR 134 Cb 0.10 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1ghu h TYR 134 CO -0.00 -0.17 0.00 0.72 -1.64 0.00 0.00 178.16 177.07 1ghu n HIS 135 N -5.23 0.00 -0.34 -3.82 8.25 -0.98 -3.09 115.22 110.02 1ghu n HIS 135 Ca -0.10 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.54 1ghu n HIS 135 Cb 0.24 -0.43 0.39 0.00 1.12 0.00 0.00 29.99 31.32 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 0.50 0.00 -0.41 -0.00 -1.41 -2.75 114.38 110.31 1ghu h ARG 136 Ca 0.00 -0.03 -0.26 0.00 -0.50 0.00 0.00 59.98 59.19 1ghu h ARG 136 Cb 0.25 -0.11 -0.05 0.00 0.00 0.00 0.00 29.97 30.06 1ghu h ARG 136 CO 0.00 0.33 -1.96 0.43 0.00 0.00 0.00 179.97 178.77 1ghu n SER 137 N -4.93 1.89 -4.85 7.04 7.64 -1.24 -3.82 113.62 115.35 1ghu n SER 137 Ca 0.27 -0.03 -0.34 0.00 1.01 0.00 0.00 58.87 59.79 1ghu n SER 137 Cb 0.78 0.52 -0.06 0.00 -1.01 0.00 0.00 64.21 64.44 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 4.83 0.26 0.44 2.01 -1.18 -4.93 115.64 114.73 1ghu s THR 138 Ca -0.12 0.77 -0.28 0.00 0.31 0.00 0.00 61.69 62.37 1ghu s THR 138 Cb 0.05 -3.69 -0.09 0.00 0.01 0.00 0.00 72.50 68.78 1ghu s THR 138 CO 0.52 0.07 0.92 -0.94 -0.69 0.00 0.00 174.62 174.50 1ghu s SER 139 N -2.01 7.53 0.00 3.53 1.04 -1.26 -4.39 113.70 118.14 1ghu s SER 139 Ca 0.44 1.88 -0.25 0.00 0.48 0.00 0.00 55.95 58.50 1ghu s SER 139 Cb -0.13 -2.59 -0.18 0.00 0.10 0.00 0.00 66.02 63.22 1ghu s SER 139 CO 0.20 0.10 1.32 0.58 0.98 0.00 0.00 173.24 176.42 1ghu h VAL 140 N 3.00 1.10 -3.35 5.02 2.07 -1.86 -3.44 116.25 118.78 1ghu h VAL 140 Ca -0.46 -0.79 -0.56 0.00 0.82 0.00 0.00 66.70 65.71 1ghu h VAL 140 Cb 1.20 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.51 1ghu h VAL 140 CO 0.67 0.19 0.05 -0.55 0.02 0.00 0.00 177.57 177.95 1ghu s SER 141 N -5.42 7.01 -1.30 0.57 0.15 -1.26 -4.90 113.70 108.55 1ghu s SER 141 Ca -0.15 1.21 -0.10 0.00 0.70 0.00 0.00 55.95 57.61 1ghu s SER 141 Cb 0.02 -2.40 0.15 0.00 -1.71 0.00 0.00 66.02 62.09 1ghu s SER 141 CO 0.63 -0.01 1.91 0.54 1.20 0.00 0.00 173.24 177.51 1ghu n ARG 142 N 3.21 3.53 0.00 5.44 5.12 -1.26 -4.13 116.66 128.57 1ghu n ARG 142 Ca -0.04 -3.43 0.00 0.00 -1.93 0.00 0.00 57.85 52.45 1ghu n ARG 142 Cb 0.51 -2.97 0.00 0.00 -1.16 0.00 0.00 32.46 28.84 1ghu n ARG 142 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1ghu n ASN 143 N 4.16 0.00 -4.84 0.55 6.94 -1.26 -5.12 115.26 115.69 1ghu n ASN 143 Ca 0.41 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.60 1ghu n ASN 143 Cb 0.37 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.73 1ghu n ASN 143 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1ghu s GLN 144 N 0.00 3.74 -0.20 -3.83 -1.52 -1.26 -5.08 119.66 111.52 1ghu s GLN 144 Ca 0.00 0.11 -0.29 0.00 -1.95 0.00 0.00 55.36 53.23 1ghu s GLN 144 Cb 0.00 -3.24 -0.02 0.00 -0.22 0.00 0.00 33.01 29.54 1ghu s GLN 144 CO 0.00 0.67 1.38 1.14 -0.25 0.00 0.00 175.29 178.23 1ghu s GLN 145 N -0.84 4.06 -0.47 2.91 -2.07 -1.26 -4.28 119.66 117.71 1ghu s GLN 145 Ca 0.18 1.61 0.04 0.00 -1.82 0.00 0.00 55.36 55.37 1ghu s GLN 145 Cb -0.14 -3.87 0.12 0.00 -1.09 0.00 0.00 33.01 28.03 1ghu s GLN 145 CO 0.08 -0.94 0.21 0.42 -1.32 0.00 0.00 175.29 173.73 1ghu s ILE 146 N 4.11 2.37 -0.28 3.63 -1.09 -1.26 -5.02 121.20 123.65 1ghu s ILE 146 Ca 0.60 -3.00 -0.11 0.00 -2.23 0.00 0.00 60.65 55.91 1ghu s ILE 146 Cb -0.22 -2.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.94 1ghu s ILE 146 CO 0.21 -0.76 0.18 -0.36 -1.23 0.00 0.00 174.94 172.98 1ghu s PHE 147 N 0.06 3.21 -0.01 3.97 0.08 -1.26 -3.09 117.98 120.94 1ghu s PHE 147 Ca 0.16 0.06 -0.30 0.00 0.12 0.00 0.00 56.93 56.96 1ghu s PHE 147 Cb -0.24 -2.37 -0.04 0.00 -0.57 0.00 0.00 43.02 39.79 1ghu s PHE 147 CO -0.02 -0.19 1.24 -0.51 -0.10 0.00 0.00 175.22 175.65 1ghu s LEU 148 N 1.75 4.31 0.02 -0.37 1.02 -1.04 -4.09 118.68 120.27 1ghu s LEU 148 Ca 0.07 1.93 0.05 0.00 0.02 0.00 0.00 54.13 56.20 1ghu s LEU 148 Cb -0.16 -3.56 -0.02 0.00 0.02 0.00 0.00 46.19 42.47 1ghu s LEU 148 CO 0.10 -0.58 -0.15 -0.13 0.02 0.00 0.00 176.35 175.61 1ghu s ARG 149 N 1.95 1.06 0.44 1.70 1.81 -0.51 -4.50 118.95 120.90 1ghu s ARG 149 Ca 0.58 -0.67 -0.23 0.00 -1.72 0.00 0.00 55.73 53.70 1ghu s ARG 149 Cb -0.27 -1.06 -0.08 0.00 -0.45 0.00 0.00 34.95 33.09 1ghu s ARG 149 CO 0.25 0.27 1.11 0.16 -0.68 0.00 0.00 175.30 176.41 1ghu s ASP 150 N -0.80 6.38 0.55 0.23 1.47 -1.26 -3.07 116.67 120.17 1ghu s ASP 150 Ca 0.04 2.16 -0.19 0.00 1.18 0.00 0.00 52.55 55.74 1ghu s ASP 150 Cb -0.07 -2.59 -0.06 0.00 -0.34 0.00 0.00 42.92 39.86 1ghu s ASP 150 CO 0.01 -0.76 1.14 0.27 0.68 0.00 0.00 175.17 176.50 1ghu s ILE 151 N -1.64 3.12 -2.08 2.11 -4.36 -1.26 -4.84 121.20 112.24 1ghu s ILE 151 Ca 0.62 0.69 0.31 0.00 -0.26 0.00 0.00 60.65 62.02 1ghu s ILE 151 Cb -0.25 -3.28 0.85 0.00 1.25 0.00 0.00 42.46 41.04 1ghu s ILE 151 CO 0.30 -0.16 2.15 1.21 0.24 0.00 0.00 174.94 178.69