#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 6.35 0.00 1.61 0.01 -1.26 -4.78 113.70 115.63 1ghu s SER 59 Ca 0.00 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1ghu s SER 59 Cb 0.00 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1ghu s SER 59 CO 0.00 -1.37 0.00 -2.67 0.41 0.00 0.00 173.24 169.61 1ghu n TRP 60 N 7.93 0.00 -4.50 2.43 2.14 -1.26 -3.86 117.44 120.32 1ghu n TRP 60 Ca 0.04 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.28 1ghu n TRP 60 Cb 0.48 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.82 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 -0.98 2.74 -0.63 -2.67 5.36 -1.26 -1.75 117.98 118.78 1ghu s PHE 61 Ca 0.00 -1.26 0.05 0.00 -0.96 0.00 0.00 56.93 54.76 1ghu s PHE 61 Cb 0.00 -1.87 0.28 0.00 -0.34 0.00 0.00 43.02 41.09 1ghu s PHE 61 CO 0.00 -0.59 0.85 1.19 -1.46 0.00 0.00 175.22 175.21 1ghu n PHE 62 N 4.18 3.77 0.00 10.12 3.01 -1.10 -4.93 117.46 132.51 1ghu n PHE 62 Ca -0.20 -4.06 0.00 0.00 1.01 0.00 0.00 57.45 54.21 1ghu n PHE 62 Cb 0.51 -0.56 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 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 0.46 3.55 2.56 1.37 0.00 -1.26 -4.40 105.19 107.47 1ghu n GLY 63 Ca 0.30 0.23 -0.27 0.00 0.00 0.00 0.00 46.02 46.29 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 0.34 0.07 1.61 2.47 -1.26 -2.73 119.74 120.24 1ghu s LYS 64 Ca 0.00 -0.72 0.05 0.00 -1.56 0.00 0.00 55.97 53.74 1ghu s LYS 64 Cb 0.00 -1.10 -0.03 0.00 -1.46 0.00 0.00 37.83 35.25 1ghu s LYS 64 CO 0.00 -1.09 -0.14 0.96 0.16 0.00 0.00 175.35 175.25 1ghu s ILE 65 N 1.80 1.08 1.13 5.43 -0.00 -1.26 -4.98 121.20 124.41 1ghu s ILE 65 Ca 0.12 -1.29 -0.15 0.00 -0.00 0.00 0.00 60.65 59.34 1ghu s ILE 65 Cb -0.18 -1.04 0.26 0.00 -0.00 0.00 0.00 42.46 41.50 1ghu s ILE 65 CO -0.23 -0.23 1.06 -2.16 -0.00 0.00 0.00 174.94 173.37 1ghu s PRO 66 N -1.72 -0.67 0.22 0.37 0.04 -1.26 -4.69 135.00 127.29 1ghu s PRO 66 Ca -0.02 0.45 -0.09 0.00 0.04 0.00 0.00 61.00 61.37 1ghu s PRO 66 Cb -0.10 -1.62 0.17 0.00 0.04 0.00 0.00 34.50 33.00 1ghu s PRO 66 CO 0.02 -3.46 1.88 -0.09 0.04 0.00 0.00 177.00 175.40 1ghu h ARG 67 N -2.41 1.07 -0.36 4.56 2.43 -2.00 -2.61 114.38 115.06 1ghu h ARG 67 Ca -0.55 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 58.49 1ghu h ARG 67 Cb 1.33 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1ghu h ARG 67 CO 0.49 0.72 0.01 0.00 -1.51 0.00 0.00 179.97 179.68 1ghu h ALA 68 N 1.28 0.48 -0.32 2.80 0.00 -2.00 -2.53 119.26 118.98 1ghu h ALA 68 Ca 0.29 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ghu h ALA 68 Cb -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1ghu h ALA 68 CO -0.06 0.24 0.03 0.87 0.00 0.00 0.00 179.25 180.33 1ghu h LYS 69 N 0.44 0.48 -0.50 0.00 1.57 -1.94 -2.16 116.57 114.47 1ghu h LYS 69 Ca 0.10 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1ghu h LYS 69 Cb 0.45 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1ghu h LYS 69 CO 0.02 0.48 0.13 0.00 -0.57 0.00 0.00 179.45 179.51 1ghu h ALA 70 N 1.57 0.65 -0.56 3.86 0.00 -1.45 -2.91 119.26 120.42 1ghu h ALA 70 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ghu h ALA 70 Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ghu h ALA 70 CO 0.00 0.34 0.32 0.93 0.00 0.00 0.00 179.25 180.85 1ghu h GLU 71 N 0.68 0.77 -0.66 0.00 5.08 -1.39 -2.86 114.58 116.20 1ghu h GLU 71 Ca 0.16 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1ghu h GLU 71 Cb 0.32 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1ghu h GLU 71 CO 0.00 0.58 0.38 0.93 -1.00 0.00 0.00 179.01 179.89 1ghu h GLU 72 N 0.76 0.69 -0.14 2.33 5.08 -1.43 -1.72 114.58 120.15 1ghu h GLU 72 Ca 0.20 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1ghu h GLU 72 Cb 0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1ghu h GLU 72 CO -0.04 0.45 0.06 0.52 -1.00 0.00 0.00 179.01 179.01 1ghu h MET 73 N 0.71 0.21 0.00 2.33 2.86 -1.54 -3.24 114.93 116.25 1ghu h MET 73 Ca 0.29 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1ghu h MET 73 Cb 0.15 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1ghu h MET 73 CO -0.16 0.29 0.00 1.28 1.06 0.00 0.00 176.91 179.38 1ghu n LEU 74 N -4.89 0.32 -0.19 1.22 4.77 -1.08 -3.42 117.00 113.73 1ghu n LEU 74 Ca -0.05 0.56 -0.03 0.00 -0.03 0.00 0.00 56.01 56.46 1ghu n LEU 74 Cb 0.11 -0.50 0.17 0.00 -2.33 0.00 0.00 43.42 40.87 1ghu n LEU 74 CO 0.34 -0.29 1.04 0.28 -1.33 0.00 0.00 177.39 177.43 1ghu h SER 75 N 0.00 0.88 -0.35 -1.43 0.02 -1.33 -2.96 113.55 108.37 1ghu h SER 75 Ca 0.00 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1ghu h SER 75 Cb 0.40 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1ghu h SER 75 CO 0.00 0.79 0.21 0.11 -1.14 0.00 0.00 176.83 176.81 1ghu h LYS 76 N 0.93 0.49 -6.26 3.45 1.57 -1.71 -3.43 116.57 111.62 1ghu h LYS 76 Ca 0.22 -0.04 -0.56 0.00 -1.87 0.00 0.00 60.65 58.39 1ghu h LYS 76 Cb 0.21 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1ghu h LYS 76 CO -0.02 0.36 1.05 -0.65 -0.57 0.00 0.00 179.45 179.62 1ghu s GLN 77 N -5.38 3.98 0.33 3.15 1.11 -1.12 -4.94 119.66 116.78 1ghu s GLN 77 Ca -0.08 1.71 0.25 0.00 0.01 0.00 0.00 55.36 57.25 1ghu s GLN 77 Cb 0.17 -3.95 0.60 0.00 -1.01 0.00 0.00 33.01 28.83 1ghu s GLN 77 CO 0.73 -1.05 1.70 0.07 0.01 0.00 0.00 175.29 176.75 1ghu h ARG 78 N 9.74 0.00 -5.98 2.91 0.11 -1.86 -3.48 114.38 115.82 1ghu h ARG 78 Ca -0.32 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.19 1ghu h ARG 78 Cb 1.14 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.16 1ghu h ARG 78 CO 0.99 0.00 -0.04 -1.01 0.10 0.00 0.00 179.97 180.01 1ghu s HIS 79 N -3.17 3.63 -0.05 4.08 3.76 -1.26 -5.00 115.29 117.27 1ghu s HIS 79 Ca 0.09 1.11 -0.30 0.00 -0.15 0.00 0.00 55.06 55.81 1ghu s HIS 79 Cb 0.09 -2.61 -0.04 0.00 1.11 0.00 0.00 32.58 31.13 1ghu s HIS 79 CO 0.63 0.28 1.39 0.16 -0.85 0.00 0.00 174.74 176.34 1ghu s ASP 80 N 0.12 6.87 0.00 1.40 -4.77 -1.26 -2.72 116.67 116.31 1ghu s ASP 80 Ca 0.30 2.01 0.00 0.00 -3.30 0.00 0.00 52.55 51.56 1ghu s ASP 80 Cb -0.17 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.11 1ghu s ASP 80 CO 0.15 -0.74 0.00 0.61 0.70 0.00 0.00 175.17 175.89 1ghu n GLY 81 N 3.68 2.98 3.68 2.12 0.00 -0.14 -4.87 105.19 112.63 1ghu n GLY 81 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.60 3.64 0.07 4.61 0.00 -1.10 -1.84 121.76 124.54 1ghu s ALA 82 Ca 0.00 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.01 1ghu s ALA 82 Cb 0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1ghu s ALA 82 CO 0.00 -1.19 -0.05 -0.59 0.00 0.00 0.00 175.76 173.93 1ghu s PHE 83 N 3.15 0.71 -0.04 0.00 -0.71 -1.16 -1.77 117.98 118.17 1ghu s PHE 83 Ca 0.72 -0.89 0.00 0.00 -1.04 0.00 0.00 56.93 55.72 1ghu s PHE 83 Cb -0.36 -0.44 0.03 0.00 -1.21 0.00 0.00 43.02 41.04 1ghu s PHE 83 CO 0.30 -0.21 0.00 -0.48 -1.34 0.00 0.00 175.22 173.49 1ghu s LEU 84 N -2.73 1.04 -0.38 -1.99 0.05 -0.55 -4.58 118.68 109.53 1ghu s LEU 84 Ca 0.06 -0.03 -0.23 0.00 0.05 0.00 0.00 54.13 53.98 1ghu s LEU 84 Cb 0.03 -0.25 0.01 0.00 -2.05 0.00 0.00 46.19 43.93 1ghu s LEU 84 CO -0.05 -0.12 0.78 -0.63 -0.55 0.00 0.00 176.35 175.78 1ghu s ILE 85 N 1.20 4.72 0.24 1.48 1.01 -0.72 -2.16 121.20 126.98 1ghu s ILE 85 Ca -0.07 0.80 -0.10 0.00 0.00 0.00 0.00 60.65 61.27 1ghu s ILE 85 Cb -0.13 -4.23 -0.07 0.00 0.01 0.00 0.00 42.46 38.03 1ghu s ILE 85 CO -0.02 -0.48 0.58 0.00 0.00 0.00 0.00 174.94 175.01 1ghu s ARG 86 N 3.13 3.83 -0.09 2.79 1.70 -0.84 -2.71 118.95 126.77 1ghu s ARG 86 Ca 0.31 0.34 -0.24 0.00 -0.47 0.00 0.00 55.73 55.67 1ghu s ARG 86 Cb -0.13 -2.61 -0.03 0.00 -0.57 0.00 0.00 34.95 31.60 1ghu s ARG 86 CO 0.18 0.29 0.74 -2.00 -1.08 0.00 0.00 175.30 173.43 1ghu s GLU 87 N -2.84 4.41 0.21 3.89 2.12 -1.10 -1.41 118.70 123.98 1ghu s GLU 87 Ca 0.48 0.93 -0.31 0.00 0.36 0.00 0.00 54.97 56.43 1ghu s GLU 87 Cb -0.11 -3.48 -0.10 0.00 0.26 0.00 0.00 34.13 30.70 1ghu s GLU 87 CO 0.21 -0.03 1.49 -1.12 -0.54 0.00 0.00 175.26 175.27 1ghu s SER 88 N 0.90 6.63 0.03 -1.70 0.01 -0.36 -4.32 113.70 114.90 1ghu s SER 88 Ca 0.38 2.63 -0.25 0.00 1.31 0.00 0.00 55.95 60.03 1ghu s SER 88 Cb -0.18 -2.61 -0.17 0.00 0.21 0.00 0.00 66.02 63.27 1ghu s SER 88 CO 0.17 -0.76 1.48 -0.08 0.41 0.00 0.00 173.24 174.47 1ghu h GLU 89 N 5.88 -0.10 -0.61 12.44 4.57 -1.89 -3.18 114.58 131.68 1ghu h GLU 89 Ca -0.44 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 57.67 1ghu h GLU 89 Cb 1.21 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.80 1ghu h GLU 89 CO 0.84 0.14 0.08 0.66 -1.18 0.00 0.00 179.01 179.56 1ghu h SER 90 N -0.34 0.97 -3.87 1.04 4.64 -1.98 -3.40 113.55 110.61 1ghu h SER 90 Ca -0.01 -0.23 -0.68 0.00 -0.47 0.00 0.00 61.79 60.40 1ghu h SER 90 Cb 0.29 -0.26 -0.36 0.00 -0.31 0.00 0.00 62.40 61.76 1ghu h SER 90 CO 0.02 0.98 -0.52 0.00 -0.87 0.00 0.00 176.83 176.44 1ghu s ALA 91 N -5.14 3.30 0.19 5.18 0.00 -1.20 -5.11 121.76 118.97 1ghu s ALA 91 Ca -0.11 -2.90 -0.30 0.00 0.00 0.00 0.00 51.96 48.64 1ghu s ALA 91 Cb 0.15 -2.41 -0.08 0.00 0.00 0.00 0.00 23.12 20.77 1ghu s ALA 91 CO 0.84 -1.93 1.21 -1.25 0.00 0.00 0.00 175.76 174.63 1ghu s PRO 92 N 0.47 4.48 0.00 0.00 0.04 -1.23 -2.84 135.00 135.93 1ghu s PRO 92 Ca 0.13 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1ghu s PRO 92 Cb -0.22 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1ghu s PRO 92 CO -0.04 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.31 1ghu n GLY 93 N 2.18 2.84 3.72 0.56 0.00 -1.26 -5.05 105.19 108.17 1ghu n GLY 93 Ca 0.04 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1ghu n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ghu s ASP 94 N 0.00 7.36 0.39 1.61 1.11 -1.13 -4.95 116.67 121.07 1ghu s ASP 94 Ca 0.00 1.75 0.08 0.00 0.18 0.00 0.00 52.55 54.56 1ghu s ASP 94 Cb 0.00 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.41 1ghu s ASP 94 CO 0.00 -0.24 0.52 -0.36 1.18 0.00 0.00 175.17 176.28 1ghu s PHE 95 N 0.71 2.89 -0.13 4.23 0.08 -1.06 -1.22 117.98 123.48 1ghu s PHE 95 Ca 0.51 -0.35 -0.05 0.00 0.12 0.00 0.00 56.93 57.16 1ghu s PHE 95 Cb -0.23 -2.24 0.06 0.00 -0.57 0.00 0.00 43.02 40.04 1ghu s PHE 95 CO 0.29 -0.27 0.27 -1.12 -0.10 0.00 0.00 175.22 174.29 1ghu s SER 96 N -4.28 0.08 -0.52 1.36 0.01 -0.50 -1.77 113.70 108.09 1ghu s SER 96 Ca 0.51 0.61 -0.29 0.00 1.31 0.00 0.00 55.95 58.10 1ghu s SER 96 Cb -0.09 0.65 0.03 0.00 0.21 0.00 0.00 66.02 66.82 1ghu s SER 96 CO 0.32 -0.21 1.16 -0.22 0.41 0.00 0.00 173.24 174.70 1ghu s LEU 97 N 2.02 3.56 -0.49 2.44 2.96 -0.60 -1.98 118.68 126.58 1ghu s LEU 97 Ca -0.03 0.32 -0.21 0.00 -0.22 0.00 0.00 54.13 54.00 1ghu s LEU 97 Cb -0.11 -3.40 0.04 0.00 0.50 0.00 0.00 46.19 43.22 1ghu s LEU 97 CO -0.09 -1.35 0.71 -0.44 -1.32 0.00 0.00 176.35 173.86 1ghu s SER 98 N 2.68 6.29 -0.14 3.68 0.01 -0.92 -1.67 113.70 123.63 1ghu s SER 98 Ca 0.46 -0.56 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 1ghu s SER 98 Cb -0.07 -2.34 0.04 0.00 0.21 0.00 0.00 66.02 63.86 1ghu s SER 98 CO 0.29 -0.93 -0.03 0.54 0.41 0.00 0.00 173.24 173.52 1ghu s VAL 99 N 3.02 0.88 -0.38 3.43 0.11 -0.87 -1.48 120.40 125.11 1ghu s VAL 99 Ca 0.22 -0.43 -0.27 0.00 -2.93 0.00 0.00 61.98 58.56 1ghu s VAL 99 Cb -0.16 -1.08 0.02 0.00 -1.53 0.00 0.00 36.38 33.63 1ghu s VAL 99 CO 0.16 0.14 1.01 -0.75 -3.33 0.00 0.00 175.10 172.34 1ghu s LYS 100 N 1.74 3.87 -0.13 1.54 2.36 -0.73 -1.33 119.74 127.06 1ghu s LYS 100 Ca 0.02 0.70 -0.01 0.00 -2.55 0.00 0.00 55.97 54.12 1ghu s LYS 100 Cb -0.15 -3.81 0.04 0.00 -1.05 0.00 0.00 37.83 32.86 1ghu s LYS 100 CO -0.07 -1.03 -0.01 0.12 1.55 0.00 0.00 175.35 175.90 1ghu s PHE 101 N 3.73 1.11 0.00 4.03 2.19 -1.08 -0.97 117.98 126.99 1ghu s PHE 101 Ca 0.42 -0.63 0.00 0.00 0.33 0.00 0.00 56.93 57.05 1ghu s PHE 101 Cb -0.11 -1.04 0.00 0.00 -1.31 0.00 0.00 43.02 40.56 1ghu s PHE 101 CO 0.21 -0.49 0.00 0.41 1.83 0.00 0.00 175.22 177.17 1ghu n GLY 102 N 5.03 1.95 0.00 13.12 0.00 -1.26 -3.88 105.19 120.15 1ghu n GLY 102 Ca -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 4.54 0.35 -4.88 1.61 0.23 -1.26 -4.90 115.26 110.95 1ghu n ASN 103 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.69 1ghu n ASN 103 Cb 0.00 0.05 -0.06 0.00 -2.08 0.00 0.00 39.78 37.69 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 -0.78 6.49 -0.46 0.53 1.01 -1.25 -5.07 116.67 117.14 1ghu s ASP 104 Ca 0.00 0.56 -0.25 0.00 0.71 0.00 0.00 52.55 53.57 1ghu s ASP 104 Cb 0.00 -2.10 0.03 0.00 1.01 0.00 0.00 42.92 41.86 1ghu s ASP 104 CO 0.00 0.32 0.90 -0.69 0.21 0.00 0.00 175.17 175.91 1ghu s VAL 105 N -1.17 4.50 -0.33 -1.27 1.01 -1.26 -2.64 120.40 119.24 1ghu s VAL 105 Ca 0.22 0.69 -0.10 0.00 0.00 0.00 0.00 61.98 62.79 1ghu s VAL 105 Cb -0.13 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 31.83 1ghu s VAL 105 CO 0.12 -0.82 0.17 -1.10 0.00 0.00 0.00 175.10 173.46 1ghu s GLN 106 N 3.68 3.17 -0.54 2.72 -0.21 -0.44 -4.87 119.66 123.18 1ghu s GLN 106 Ca 0.36 -0.83 -0.18 0.00 0.02 0.00 0.00 55.36 54.72 1ghu s GLN 106 Cb -0.10 -3.61 0.09 0.00 1.00 0.00 0.00 33.01 30.38 1ghu s GLN 106 CO 0.26 -0.51 0.60 -1.01 -2.12 0.00 0.00 175.29 172.51 1ghu s HIS 107 N 1.59 3.09 -0.22 0.91 3.76 -1.26 -2.06 115.29 121.11 1ghu s HIS 107 Ca 0.04 -0.88 -0.06 0.00 -0.15 0.00 0.00 55.06 54.00 1ghu s HIS 107 Cb -0.18 -3.70 -0.03 0.00 1.11 0.00 0.00 32.58 29.78 1ghu s HIS 107 CO 0.06 -1.09 0.04 -0.06 -0.85 0.00 0.00 174.74 172.84 1ghu s PHE 108 N 2.33 3.09 -0.13 1.40 0.08 -0.67 -4.96 117.98 119.12 1ghu s PHE 108 Ca 0.10 -0.37 -0.29 0.00 0.12 0.00 0.00 56.93 56.49 1ghu s PHE 108 Cb -0.24 -2.15 -0.02 0.00 -0.57 0.00 0.00 43.02 40.04 1ghu s PHE 108 CO 0.07 -0.24 1.15 0.15 -0.10 0.00 0.00 175.22 176.25 1ghu s LYS 109 N 1.20 4.32 -0.70 0.44 1.02 -1.26 -1.56 119.74 123.19 1ghu s LYS 109 Ca 0.04 1.55 -0.19 0.00 0.02 0.00 0.00 55.97 57.39 1ghu s LYS 109 Cb -0.14 -3.62 0.11 0.00 -0.52 0.00 0.00 37.83 33.65 1ghu s LYS 109 CO 0.02 -0.52 0.87 0.08 -0.92 0.00 0.00 175.35 174.88 1ghu s VAL 110 N 2.69 4.74 -0.02 3.17 1.01 -0.73 -4.72 120.40 126.54 1ghu s VAL 110 Ca 0.52 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.22 1ghu s VAL 110 Cb -0.21 -4.60 -0.05 0.00 0.00 0.00 0.00 36.38 31.52 1ghu s VAL 110 CO 0.16 -1.29 0.53 -0.76 0.00 0.00 0.00 175.10 173.74 1ghu s LEU 111 N 2.82 4.41 0.18 3.92 1.43 -0.76 -2.55 118.68 128.13 1ghu s LEU 111 Ca 0.19 1.06 -0.18 0.00 -1.03 0.00 0.00 54.13 54.17 1ghu s LEU 111 Cb -0.17 -2.80 -0.08 0.00 0.03 0.00 0.00 46.19 43.18 1ghu s LEU 111 CO 0.02 0.15 0.66 -0.13 0.23 0.00 0.00 176.35 177.28 1ghu s ARG 112 N -0.33 4.17 -0.16 1.70 0.52 -1.26 -0.88 118.95 122.71 1ghu s ARG 112 Ca 0.28 0.75 -0.17 0.00 -0.52 0.00 0.00 55.73 56.07 1ghu s ARG 112 Cb -0.17 -2.95 -0.14 0.00 0.52 0.00 0.00 34.95 32.21 1ghu s ARG 112 CO 0.15 0.45 0.21 0.38 0.02 0.00 0.00 175.30 176.51 1ghu h ASP 113 N 3.61 0.00 0.00 0.23 3.04 -1.92 -3.49 116.42 117.89 1ghu h ASP 113 Ca -0.48 -0.43 0.00 0.00 -3.24 0.00 0.00 57.03 52.88 1ghu h ASP 113 Cb 1.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.49 1ghu h ASP 113 CO 0.65 1.08 0.00 0.61 -2.04 0.00 0.00 179.24 179.55 1ghu n GLY 114 N 1.56 -1.64 0.21 7.15 0.00 -1.26 -5.08 105.19 106.12 1ghu n GLY 114 Ca -0.17 0.61 -0.08 0.00 0.00 0.00 0.00 46.02 46.38 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 1.72 -0.72 0.00 4.61 0.00 -2.06 -3.46 119.26 119.36 1ghu h ALA 115 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ghu h ALA 115 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ghu h ALA 115 CO 0.00 -0.68 0.00 0.41 0.00 0.00 0.00 179.25 178.98 1ghu n GLY 116 N -0.06 0.90 3.88 0.00 0.00 -1.26 -5.15 105.19 103.50 1ghu n GLY 116 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 3.74 -0.01 1.61 3.01 -1.26 -4.50 119.74 122.33 1ghu s LYS 117 Ca 0.00 0.17 0.01 0.00 -1.01 0.00 0.00 55.97 55.13 1ghu s LYS 117 Cb 0.00 -2.69 0.01 0.00 -1.01 0.00 0.00 37.83 34.14 1ghu s LYS 117 CO 0.00 0.33 -0.02 1.52 0.51 0.00 0.00 175.35 177.70 1ghu s TYR 118 N -1.82 0.25 -0.14 3.18 1.13 -0.80 -2.75 117.35 116.40 1ghu s TYR 118 Ca 0.46 -0.03 0.01 0.00 -1.41 0.00 0.00 57.07 56.10 1ghu s TYR 118 Cb -0.11 -0.22 0.02 0.00 -1.10 0.00 0.00 41.96 40.54 1ghu s TYR 118 CO 0.23 -0.04 -0.16 -0.59 -2.51 0.00 0.00 175.55 172.48 1ghu s PHE 119 N 0.25 2.23 -0.20 -3.49 -0.71 -0.06 -2.47 117.98 113.52 1ghu s PHE 119 Ca -0.02 -1.18 -0.16 0.00 -1.04 0.00 0.00 56.93 54.53 1ghu s PHE 119 Cb -0.05 -1.60 -0.08 0.00 -1.21 0.00 0.00 43.02 40.09 1ghu s PHE 119 CO -0.01 -0.61 -0.34 -0.11 -1.34 0.00 0.00 175.22 172.81 1ghu n LEU 120 N 4.47 1.91 -3.72 -1.99 7.94 -1.26 -1.83 117.00 122.51 1ghu n LEU 120 Ca -0.18 0.33 -0.29 0.00 -1.11 0.00 0.00 56.01 54.75 1ghu n LEU 120 Cb 0.51 -0.75 -0.15 0.00 0.53 0.00 0.00 43.42 43.55 1ghu n LEU 120 CO 0.23 -0.03 -0.35 0.86 -1.11 0.00 0.00 177.39 177.00 1ghu s TRP 121 N -2.76 1.36 0.00 1.96 -0.00 -1.26 -4.96 118.94 113.28 1ghu s TRP 121 Ca -0.31 -1.36 0.00 0.00 -0.00 0.00 0.00 56.10 54.43 1ghu s TRP 121 Cb 0.07 -1.39 0.00 0.00 -0.00 0.00 0.00 33.47 32.15 1ghu s TRP 121 CO 0.43 -0.78 0.00 0.28 -0.00 0.00 0.00 176.95 176.88 1ghu n VAL 122 N 4.95 0.00 -2.83 5.86 0.31 -1.26 -4.93 118.33 120.43 1ghu n VAL 122 Ca -0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.89 1ghu n VAL 122 Cb 0.44 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.31 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 0.00 4.19 0.03 2.52 -7.23 -1.26 -5.04 120.40 113.62 1ghu s VAL 123 Ca 0.00 1.92 -0.19 0.00 -1.81 0.00 0.00 61.98 61.90 1ghu s VAL 123 Cb 0.00 -4.22 -0.06 0.00 0.56 0.00 0.00 36.38 32.66 1ghu s VAL 123 CO 0.00 0.45 0.54 -1.59 -0.31 0.00 0.00 175.10 174.19 1ghu s LYS 124 N -1.31 4.18 -0.29 4.82 -2.85 -1.26 -4.41 119.74 118.61 1ghu s LYS 124 Ca 0.41 0.66 -0.25 0.00 -1.00 0.00 0.00 55.97 55.79 1ghu s LYS 124 Cb -0.24 -3.27 0.15 0.00 -2.06 0.00 0.00 37.83 32.42 1ghu s LYS 124 CO 0.29 0.57 1.19 -0.59 0.10 0.00 0.00 175.35 176.91 1ghu s PHE 125 N -0.83 -0.31 -1.36 1.78 -0.71 -1.03 -4.89 117.98 110.63 1ghu s PHE 125 Ca 0.28 0.75 -0.16 0.00 -1.04 0.00 0.00 56.93 56.76 1ghu s PHE 125 Cb -0.18 0.40 0.05 0.00 -1.21 0.00 0.00 43.02 42.07 1ghu s PHE 125 CO 0.17 -0.15 1.99 0.27 -1.34 0.00 0.00 175.22 176.16 1ghu n ASN 126 N 2.04 4.31 -3.68 1.98 0.23 -1.26 -1.90 115.26 116.98 1ghu n ASN 126 Ca -0.12 -2.87 -0.40 0.00 -0.53 0.00 0.00 54.58 50.67 1ghu n ASN 126 Cb 0.56 -1.69 0.01 0.00 -2.08 0.00 0.00 39.78 36.58 1ghu n ASN 126 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1ghu n SER 127 N 7.42 6.61 -4.30 0.53 3.41 -1.26 -4.82 113.62 121.21 1ghu n SER 127 Ca 0.50 -3.59 -0.45 0.00 -0.26 0.00 0.00 58.87 55.07 1ghu n SER 127 Cb 0.42 -1.12 -0.02 0.00 -0.26 0.00 0.00 64.21 63.23 1ghu n SER 127 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ghu s LEU 128 N -3.67 6.46 0.00 1.04 1.43 -1.26 -2.63 118.68 120.05 1ghu s LEU 128 Ca 0.37 -3.03 0.00 0.00 -1.03 0.00 0.00 54.13 50.44 1ghu s LEU 128 Cb 0.15 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1ghu s LEU 128 CO -0.05 -0.45 0.00 -3.20 0.23 0.00 0.00 176.35 172.88 1ghu n ASN 129 N 3.46 0.00 -0.18 2.29 2.85 -1.26 -4.97 115.26 117.45 1ghu n ASN 129 Ca 0.17 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.61 1ghu n ASN 129 Cb 0.43 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.53 1ghu n ASN 129 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1ghu h GLU 130 N 0.00 0.47 -0.47 1.20 4.39 -1.88 -2.85 114.58 115.45 1ghu h GLU 130 Ca 0.00 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 1ghu h GLU 130 Cb 0.00 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1ghu h GLU 130 CO 0.00 0.31 -0.09 1.25 -1.16 0.00 0.00 179.01 179.32 1ghu h LEU 131 N 0.49 0.83 0.40 1.33 5.85 -1.88 -2.71 115.31 119.62 1ghu h LEU 131 Ca 0.26 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1ghu h LEU 131 Cb 0.22 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1ghu h LEU 131 CO -0.21 0.95 -0.23 0.58 -0.34 0.00 0.00 178.44 179.19 1ghu h VAL 132 N 0.76 0.00 -0.32 1.05 2.07 -1.78 -2.73 116.25 115.30 1ghu h VAL 132 Ca 0.13 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.56 1ghu h VAL 132 Cb 0.59 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1ghu h VAL 132 CO 0.04 0.00 -0.18 0.44 0.02 0.00 0.00 177.57 177.89 1ghu h ASP 133 N -0.58 0.59 0.82 0.57 3.32 -1.60 -1.37 116.42 118.17 1ghu h ASP 133 Ca -0.05 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 1ghu h ASP 133 Cb 0.46 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1ghu h ASP 133 CO 0.06 0.78 -0.47 0.22 -1.72 0.00 0.00 179.24 178.11 1ghu h TYR 134 N 0.53 -1.24 0.00 4.55 3.20 -1.61 -3.29 116.97 119.12 1ghu h TYR 134 Ca 0.09 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1ghu h TYR 134 Cb 0.61 0.43 0.00 0.00 1.54 0.00 0.00 36.73 39.32 1ghu h TYR 134 CO 0.02 -0.72 0.00 0.72 -1.64 0.00 0.00 178.16 176.55 1ghu n HIS 135 N -5.62 0.00 -0.14 -3.82 8.25 -1.03 -3.23 115.22 109.63 1ghu n HIS 135 Ca -0.15 0.00 0.24 0.00 -0.26 0.00 0.00 57.72 57.55 1ghu n HIS 135 Cb 0.49 -0.43 0.68 0.00 1.12 0.00 0.00 29.99 31.85 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 0.07 0.00 -0.41 2.43 -1.31 -3.13 114.38 112.03 1ghu h ARG 136 Ca 0.00 -0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 1ghu h ARG 136 Cb 0.32 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 1ghu h ARG 136 CO 0.00 0.04 -2.11 0.43 -1.51 0.00 0.00 179.97 176.82 1ghu n SER 137 N -4.34 2.39 -4.88 -3.80 7.64 -1.24 -4.47 113.62 104.93 1ghu n SER 137 Ca 0.16 -0.07 -0.32 0.00 1.01 0.00 0.00 58.87 59.65 1ghu n SER 137 Cb 0.81 -0.34 -0.05 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.39 4.92 0.08 0.44 2.01 -1.20 -5.01 115.64 114.49 1ghu s THR 138 Ca -0.26 0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.91 1ghu s THR 138 Cb 0.07 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 1ghu s THR 138 CO 0.44 -0.12 0.94 -0.55 -0.69 0.00 0.00 174.62 174.64 1ghu s SER 139 N -2.45 7.44 0.13 3.53 0.15 -1.26 -4.44 113.70 116.80 1ghu s SER 139 Ca 0.48 1.72 -0.13 0.00 0.70 0.00 0.00 55.95 58.71 1ghu s SER 139 Cb -0.11 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.62 1ghu s SER 139 CO 0.22 -0.09 1.57 -0.37 1.20 0.00 0.00 173.24 175.76 1ghu h VAL 140 N 4.20 1.27 0.00 4.45 -1.51 -1.86 -3.42 116.25 119.38 1ghu h VAL 140 Ca -0.43 -1.09 -0.16 0.00 -1.23 0.00 0.00 66.70 63.79 1ghu h VAL 140 Cb 1.21 1.10 -0.03 0.00 -2.13 0.00 0.00 31.29 31.45 1ghu h VAL 140 CO 0.72 0.37 -1.56 -0.24 -1.23 0.00 0.00 177.57 175.64 1ghu n SER 141 N -4.37 1.85 -1.72 4.19 2.88 -1.26 -4.73 113.62 110.47 1ghu n SER 141 Ca -0.00 0.05 -0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1ghu n SER 141 Cb 0.32 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1ghu n SER 141 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ghu n ARG 142 N -3.16 -0.22 0.08 -1.46 1.74 -1.26 -5.05 116.66 107.33 1ghu n ARG 142 Ca -0.19 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 1ghu n ARG 142 Cb 0.66 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1ghu n ARG 142 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1ghu n ASN 143 N -0.98 -0.92 -1.04 0.55 6.94 -1.26 -4.92 115.26 113.63 1ghu n ASN 143 Ca 0.00 0.30 0.11 0.00 -0.02 0.00 0.00 54.58 54.97 1ghu n ASN 143 Cb 0.41 1.04 0.27 0.00 -2.36 0.00 0.00 39.78 39.14 1ghu n ASN 143 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ghu n GLN 144 N -2.91 2.33 -3.18 -3.83 6.02 -1.26 -5.01 117.38 109.54 1ghu n GLN 144 Ca 0.00 -2.03 -0.04 0.00 -0.01 0.00 0.00 57.00 54.91 1ghu n GLN 144 Cb 0.00 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.79 1ghu n GLN 144 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1ghu n GLN 145 N 1.19 -1.39 -2.90 -1.09 1.13 -1.26 -4.95 117.38 108.11 1ghu n GLN 145 Ca 0.19 1.40 -0.42 0.00 -1.94 0.00 0.00 57.00 56.23 1ghu n GLN 145 Cb 0.51 -5.18 -0.04 0.00 0.11 0.00 0.00 30.24 25.63 1ghu n GLN 145 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ghu s ILE 146 N -2.98 4.74 -0.04 5.09 1.09 -1.26 -4.98 121.20 122.86 1ghu s ILE 146 Ca 0.01 1.23 0.06 0.00 -1.10 0.00 0.00 60.65 60.85 1ghu s ILE 146 Cb -0.00 -4.20 -0.02 0.00 -1.06 0.00 0.00 42.46 37.18 1ghu s ILE 146 CO 0.77 -0.31 -0.23 -0.36 -0.10 0.00 0.00 174.94 174.72 1ghu s PHE 147 N 3.09 2.46 -0.33 3.97 0.08 -1.26 -3.14 117.98 122.84 1ghu s PHE 147 Ca 0.34 -0.50 -0.26 0.00 0.12 0.00 0.00 56.93 56.64 1ghu s PHE 147 Cb -0.14 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 40.75 1ghu s PHE 147 CO 0.14 -0.07 0.92 -0.51 -0.10 0.00 0.00 175.22 175.59 1ghu s LEU 148 N -0.43 4.02 0.12 -0.37 1.02 -1.19 -4.28 118.68 117.57 1ghu s LEU 148 Ca 0.04 0.73 0.09 0.00 0.02 0.00 0.00 54.13 55.02 1ghu s LEU 148 Cb -0.12 -3.27 -0.04 0.00 0.02 0.00 0.00 46.19 42.79 1ghu s LEU 148 CO 0.01 -0.78 -0.23 -0.60 0.02 0.00 0.00 176.35 174.77 1ghu s ARG 149 N 3.34 1.26 0.63 1.70 3.52 -0.76 -4.44 118.95 124.19 1ghu s ARG 149 Ca 0.38 -1.27 -0.14 0.00 -0.13 0.00 0.00 55.73 54.57 1ghu s ARG 149 Cb -0.13 -1.59 -0.02 0.00 -1.56 0.00 0.00 34.95 31.65 1ghu s ARG 149 CO 0.16 0.37 1.06 -0.51 -0.81 0.00 0.00 175.30 175.56 1ghu s ASP 150 N -2.06 5.61 0.83 -2.12 1.01 -1.26 -2.98 116.67 115.70 1ghu s ASP 150 Ca 0.11 1.76 -0.11 0.00 0.71 0.00 0.00 52.55 55.01 1ghu s ASP 150 Cb -0.10 -2.52 0.09 0.00 1.01 0.00 0.00 42.92 41.40 1ghu s ASP 150 CO 0.05 -1.28 1.09 0.27 0.21 0.00 0.00 175.17 175.51 1ghu s ILE 151 N -2.65 2.95 -2.39 0.77 -5.25 -1.25 -4.71 121.20 108.68 1ghu s ILE 151 Ca 0.62 0.31 0.29 0.00 -0.99 0.00 0.00 60.65 60.88 1ghu s ILE 151 Cb -0.15 -2.95 0.63 0.00 2.95 0.00 0.00 42.46 42.94 1ghu s ILE 151 CO 0.43 -0.40 1.85 1.21 -1.79 0.00 0.00 174.94 176.24