#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 6.55 0.00 1.61 0.15 -1.26 -4.89 113.70 115.86 1ghu s SER 59 Ca 0.00 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.12 1ghu s SER 59 Cb 0.00 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 1ghu s SER 59 CO 0.00 -0.56 0.00 -2.67 1.20 0.00 0.00 173.24 171.21 1ghu n TRP 60 N 6.06 0.00 -2.98 3.44 2.14 -1.26 -4.47 117.44 120.38 1ghu n TRP 60 Ca 0.01 0.00 -0.40 0.00 2.07 0.00 0.00 57.50 59.18 1ghu n TRP 60 Cb 0.48 0.19 -0.05 0.00 -0.81 0.00 0.00 31.31 31.12 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 -1.85 3.82 0.00 -2.67 5.36 -1.26 -1.90 117.98 119.48 1ghu s PHE 61 Ca 0.00 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 1ghu s PHE 61 Cb 0.00 -2.80 0.00 0.00 -0.34 0.00 0.00 43.02 39.88 1ghu s PHE 61 CO 0.00 0.38 0.00 1.19 -1.46 0.00 0.00 175.22 175.33 1ghu n PHE 62 N 2.25 0.00 0.00 10.12 3.01 -1.05 -4.98 117.46 126.81 1ghu n PHE 62 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1ghu n PHE 62 Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 1ghu n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ghu n GLY 63 N 3.25 0.06 2.69 1.37 0.00 -1.26 -5.04 105.19 106.26 1ghu n GLY 63 Ca 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 46.02 46.25 1ghu n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ghu n LYS 64 N 0.00 -1.01 -4.33 1.61 3.00 -1.26 -4.92 118.16 111.24 1ghu n LYS 64 Ca 0.00 1.26 -0.24 0.00 -0.00 0.00 0.00 58.31 59.33 1ghu n LYS 64 Cb 0.00 -4.77 -0.13 0.00 0.00 0.00 0.00 35.03 30.13 1ghu n LYS 64 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1ghu s ILE 65 N -3.00 1.71 0.94 3.15 -4.36 -1.25 -4.96 121.20 113.42 1ghu s ILE 65 Ca 0.00 -1.50 -0.13 0.00 -0.26 0.00 0.00 60.65 58.76 1ghu s ILE 65 Cb -0.00 -1.54 0.15 0.00 1.25 0.00 0.00 42.46 42.32 1ghu s ILE 65 CO 0.57 -0.02 1.15 -2.16 0.24 0.00 0.00 174.94 174.72 1ghu s PRO 66 N -1.81 0.92 0.15 0.37 0.04 -1.26 -4.69 135.00 128.72 1ghu s PRO 66 Ca 0.07 0.20 -0.13 0.00 0.04 0.00 0.00 61.00 61.18 1ghu s PRO 66 Cb -0.10 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.65 1ghu s PRO 66 CO 0.04 -2.33 1.64 -0.09 0.04 0.00 0.00 177.00 176.29 1ghu h ARG 67 N -1.59 0.84 -0.55 4.56 2.43 -1.99 -2.65 114.38 115.43 1ghu h ARG 67 Ca -0.49 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 58.40 1ghu h ARG 67 Cb 1.32 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1ghu h ARG 67 CO 0.58 0.84 0.16 0.00 -1.51 0.00 0.00 179.97 180.04 1ghu h ALA 68 N 0.97 0.72 -0.57 2.80 0.00 -1.99 -1.28 119.26 119.91 1ghu h ALA 68 Ca 0.15 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1ghu h ALA 68 Cb 0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ghu h ALA 68 CO 0.01 0.39 0.04 -0.22 0.00 0.00 0.00 179.25 179.47 1ghu h LYS 69 N 0.77 0.95 -0.26 0.00 3.11 -1.96 -2.09 116.57 117.09 1ghu h LYS 69 Ca 0.18 -0.26 -0.02 0.00 -2.81 0.00 0.00 60.65 57.73 1ghu h LYS 69 Cb 0.29 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.41 1ghu h LYS 69 CO -0.00 0.92 0.08 0.00 -2.81 0.00 0.00 179.45 177.64 1ghu h ALA 70 N 1.15 0.34 -0.88 5.00 0.00 -1.40 -2.42 119.26 121.06 1ghu h ALA 70 Ca 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ghu h ALA 70 Cb 0.47 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1ghu h ALA 70 CO 0.02 -0.04 0.54 0.93 0.00 0.00 0.00 179.25 180.71 1ghu h GLU 71 N 0.26 1.18 0.54 0.00 5.08 -1.29 -2.74 114.58 117.60 1ghu h GLU 71 Ca 0.08 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1ghu h GLU 71 Cb 0.23 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1ghu h GLU 71 CO -0.00 0.81 -0.33 1.49 -1.00 0.00 0.00 179.01 179.98 1ghu h GLU 72 N 1.20 -0.79 -0.36 2.33 4.22 -1.39 -2.40 114.58 117.39 1ghu h GLU 72 Ca 0.32 0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.85 1ghu h GLU 72 Cb -0.08 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1ghu h GLU 72 CO -0.06 -0.53 0.12 1.98 -2.18 0.00 0.00 179.01 178.34 1ghu h MET 73 N -0.82 0.26 -0.05 1.92 4.05 -1.47 -3.05 114.93 115.76 1ghu h MET 73 Ca -0.06 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.25 1ghu h MET 73 Cb 0.67 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 1ghu h MET 73 CO 0.07 0.17 -0.38 -0.07 0.23 0.00 0.00 176.91 176.93 1ghu h LEU 74 N 0.27 0.10 -1.43 3.39 3.38 -1.58 -3.14 115.31 116.29 1ghu h LEU 74 Ca 0.17 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1ghu h LEU 74 Cb 0.15 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1ghu h LEU 74 CO -0.17 0.48 0.00 -1.28 0.09 0.00 0.00 178.44 177.56 1ghu h SER 75 N 0.08 0.34 -0.59 -0.43 0.87 -1.33 -3.10 113.55 109.40 1ghu h SER 75 Ca 0.01 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 1ghu h SER 75 Cb 0.72 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 1ghu h SER 75 CO 0.05 0.40 0.26 0.11 -0.53 0.00 0.00 176.83 177.12 1ghu h LYS 76 N 0.36 0.90 -6.92 2.24 1.79 -1.48 -3.46 116.57 109.99 1ghu h LYS 76 Ca 0.08 -0.13 -0.54 0.00 -2.18 0.00 0.00 60.65 57.88 1ghu h LYS 76 Cb 0.24 -0.16 0.10 0.00 -1.58 0.00 0.00 32.23 30.83 1ghu h LYS 76 CO 0.01 0.72 0.78 -0.65 -1.08 0.00 0.00 179.45 179.23 1ghu s GLN 77 N -5.44 4.13 0.52 3.15 1.11 -1.17 -4.98 119.66 116.99 1ghu s GLN 77 Ca -0.10 2.54 0.31 0.00 0.01 0.00 0.00 55.36 58.12 1ghu s GLN 77 Cb 0.16 -2.98 1.25 0.00 -1.01 0.00 0.00 33.01 30.43 1ghu s GLN 77 CO 0.80 -0.52 1.94 0.07 0.01 0.00 0.00 175.29 177.59 1ghu h ARG 78 N 3.24 0.00 -6.38 2.91 0.11 -1.90 -3.48 114.38 108.89 1ghu h ARG 78 Ca -0.50 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.03 1ghu h ARG 78 Cb 1.24 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.28 1ghu h ARG 78 CO 0.66 0.05 -0.04 -1.01 0.10 0.00 0.00 179.97 179.73 1ghu s HIS 79 N -3.67 3.61 -0.33 4.08 3.76 -1.26 -5.05 115.29 116.43 1ghu s HIS 79 Ca 0.01 1.13 -0.29 0.00 -0.15 0.00 0.00 55.06 55.76 1ghu s HIS 79 Cb 0.09 -2.42 0.01 0.00 1.11 0.00 0.00 32.58 31.37 1ghu s HIS 79 CO 0.57 0.40 1.19 0.16 -0.85 0.00 0.00 174.74 176.21 1ghu s ASP 80 N -1.72 6.78 0.00 1.40 -4.77 -1.26 -2.96 116.67 114.13 1ghu s ASP 80 Ca 0.39 1.05 0.00 0.00 -3.30 0.00 0.00 52.55 50.69 1ghu s ASP 80 Cb -0.15 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.14 1ghu s ASP 80 CO 0.20 -1.02 0.00 0.61 0.70 0.00 0.00 175.17 175.66 1ghu n GLY 81 N 4.20 0.70 3.62 2.12 0.00 -0.85 -4.05 105.19 110.93 1ghu n GLY 81 Ca 0.13 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.27 3.17 0.18 4.61 0.00 -1.16 -1.81 121.76 124.49 1ghu s ALA 82 Ca 0.00 0.43 0.10 0.00 0.00 0.00 0.00 51.96 52.49 1ghu s ALA 82 Cb 0.00 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.18 1ghu s ALA 82 CO 0.00 -2.13 -0.20 -0.59 0.00 0.00 0.00 175.76 172.85 1ghu s PHE 83 N 5.64 1.98 -0.01 0.00 -0.71 -1.19 -1.55 117.98 122.14 1ghu s PHE 83 Ca 0.74 -0.43 -0.03 0.00 -1.04 0.00 0.00 56.93 56.17 1ghu s PHE 83 Cb -0.25 -0.97 0.00 0.00 -1.21 0.00 0.00 43.02 40.59 1ghu s PHE 83 CO 0.31 0.41 0.06 -0.48 -1.34 0.00 0.00 175.22 174.18 1ghu s LEU 84 N -2.76 1.81 -0.27 -1.99 0.05 -0.52 -4.44 118.68 110.56 1ghu s LEU 84 Ca 0.18 -0.05 -0.16 0.00 0.05 0.00 0.00 54.13 54.15 1ghu s LEU 84 Cb -0.06 0.29 -0.03 0.00 -2.05 0.00 0.00 46.19 44.33 1ghu s LEU 84 CO 0.08 -0.14 0.43 -0.63 -0.55 0.00 0.00 176.35 175.53 1ghu s ILE 85 N -0.53 5.13 0.21 1.48 1.09 -0.80 -1.34 121.20 126.45 1ghu s ILE 85 Ca -0.06 0.64 0.05 0.00 -1.10 0.00 0.00 60.65 60.19 1ghu s ILE 85 Cb -0.04 -3.76 -0.03 0.00 -1.06 0.00 0.00 42.46 37.57 1ghu s ILE 85 CO 0.00 0.11 0.25 0.00 -0.10 0.00 0.00 174.94 175.20 1ghu s ARG 86 N 2.16 3.16 -0.15 2.79 1.70 -0.84 -2.53 118.95 125.24 1ghu s ARG 86 Ca 0.17 -0.86 -0.20 0.00 -0.47 0.00 0.00 55.73 54.37 1ghu s ARG 86 Cb -0.16 -2.74 -0.03 0.00 -0.57 0.00 0.00 34.95 31.45 1ghu s ARG 86 CO 0.10 0.45 0.57 -2.00 -1.08 0.00 0.00 175.30 173.34 1ghu s GLU 87 N -3.64 4.28 0.32 3.89 2.12 -1.26 -1.29 118.70 123.12 1ghu s GLU 87 Ca 0.33 0.57 -0.29 0.00 0.36 0.00 0.00 54.97 55.94 1ghu s GLU 87 Cb -0.09 -3.51 -0.10 0.00 0.26 0.00 0.00 34.13 30.68 1ghu s GLU 87 CO 0.26 -0.05 1.35 0.45 -0.54 0.00 0.00 175.26 176.73 1ghu s SER 88 N 0.95 6.69 -0.03 -1.70 0.15 -0.56 -3.87 113.70 115.33 1ghu s SER 88 Ca 0.28 2.74 -0.24 0.00 0.70 0.00 0.00 55.95 59.43 1ghu s SER 88 Cb -0.16 -2.65 -0.18 0.00 -1.71 0.00 0.00 66.02 61.33 1ghu s SER 88 CO 0.11 -0.61 1.08 -0.33 1.20 0.00 0.00 173.24 174.70 1ghu h GLU 89 N 3.58 -0.19 -0.67 5.44 4.39 -1.89 -3.22 114.58 122.02 1ghu h GLU 89 Ca -0.49 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.19 1ghu h GLU 89 Cb 1.23 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.89 1ghu h GLU 89 CO 0.67 0.24 0.28 1.03 -1.16 0.00 0.00 179.01 180.07 1ghu h SER 90 N -0.72 0.90 -3.84 1.42 0.87 -1.99 -3.39 113.55 106.80 1ghu h SER 90 Ca -0.02 -0.12 -0.66 0.00 -1.23 0.00 0.00 61.79 59.76 1ghu h SER 90 Cb 0.52 -0.23 -0.39 0.00 -0.44 0.00 0.00 62.40 61.85 1ghu h SER 90 CO 0.03 0.79 -0.66 0.00 -0.53 0.00 0.00 176.83 176.47 1ghu s ALA 91 N -5.47 3.06 0.52 6.23 0.00 -1.24 -5.02 121.76 119.84 1ghu s ALA 91 Ca -0.11 -2.74 0.20 0.00 0.00 0.00 0.00 51.96 49.31 1ghu s ALA 91 Cb 0.16 -2.11 1.31 0.00 0.00 0.00 0.00 23.12 22.48 1ghu s ALA 91 CO 0.81 -1.80 2.07 -1.35 0.00 0.00 0.00 175.76 175.49 1ghu h PRO 92 N 7.39 0.03 -1.88 0.00 0.11 -1.76 -2.93 132.00 132.96 1ghu h PRO 92 Ca -0.06 -0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.66 1ghu h PRO 92 Cb 0.99 -0.01 -0.14 0.00 0.11 0.00 0.00 31.00 31.95 1ghu h PRO 92 CO 0.59 0.02 0.26 0.41 -0.21 0.00 0.00 178.00 179.07 1ghu n GLY 93 N -1.59 4.00 3.64 -0.55 0.00 -1.26 -4.78 105.19 104.65 1ghu n GLY 93 Ca 0.04 -1.50 -0.04 0.00 0.00 0.00 0.00 46.02 44.51 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 0.63 -1.04 0.54 1.61 -1.08 -1.11 -4.61 116.67 111.62 1ghu s ASP 94 Ca 0.51 1.54 0.04 0.00 -0.52 0.00 0.00 52.55 54.12 1ghu s ASP 94 Cb 0.32 1.81 0.05 0.00 -1.46 0.00 0.00 42.92 43.64 1ghu s ASP 94 CO -0.12 -0.23 0.75 -0.36 0.52 0.00 0.00 175.17 175.73 1ghu s PHE 95 N 2.22 2.47 -0.18 -5.34 0.40 -0.98 -1.50 117.98 115.06 1ghu s PHE 95 Ca -0.08 -0.26 -0.04 0.00 -0.60 0.00 0.00 56.93 55.95 1ghu s PHE 95 Cb -0.08 -2.61 0.09 0.00 0.51 0.00 0.00 43.02 40.93 1ghu s PHE 95 CO -0.20 -0.90 0.29 -1.12 0.70 0.00 0.00 175.22 173.99 1ghu s SER 96 N -4.48 0.56 -0.52 1.36 0.01 -0.41 -1.60 113.70 108.61 1ghu s SER 96 Ca 0.59 0.33 -0.29 0.00 1.31 0.00 0.00 55.95 57.88 1ghu s SER 96 Cb -0.09 0.76 0.03 0.00 0.21 0.00 0.00 66.02 66.93 1ghu s SER 96 CO 0.38 -0.28 1.16 -0.22 0.41 0.00 0.00 173.24 174.70 1ghu s LEU 97 N 2.44 3.56 -0.38 2.44 2.96 -0.43 -1.99 118.68 127.28 1ghu s LEU 97 Ca 0.05 0.34 -0.17 0.00 -0.22 0.00 0.00 54.13 54.12 1ghu s LEU 97 Cb -0.14 -3.41 0.01 0.00 0.50 0.00 0.00 46.19 43.15 1ghu s LEU 97 CO -0.11 -1.34 0.46 -0.44 -1.32 0.00 0.00 176.35 173.59 1ghu s SER 98 N 2.67 6.24 -0.09 3.68 0.01 -0.45 -1.64 113.70 124.12 1ghu s SER 98 Ca 0.46 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.40 1ghu s SER 98 Cb -0.07 -2.24 -0.00 0.00 0.21 0.00 0.00 66.02 63.92 1ghu s SER 98 CO 0.30 -0.51 -0.23 -0.69 0.41 0.00 0.00 173.24 172.51 1ghu s VAL 99 N 2.24 1.95 -0.69 3.43 1.01 -1.01 -1.44 120.40 125.90 1ghu s VAL 99 Ca 0.15 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.89 1ghu s VAL 99 Cb -0.16 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.55 1ghu s VAL 99 CO 0.14 0.54 1.44 -0.75 0.00 0.00 0.00 175.10 176.47 1ghu s LYS 100 N 0.27 3.06 0.00 2.72 2.47 -0.59 -1.59 119.74 126.08 1ghu s LYS 100 Ca -0.15 0.06 0.00 0.00 -1.56 0.00 0.00 55.97 54.31 1ghu s LYS 100 Cb -0.17 -4.23 0.00 0.00 -1.46 0.00 0.00 37.83 31.98 1ghu s LYS 100 CO 0.07 -2.27 0.00 1.19 0.16 0.00 0.00 175.35 174.50 1ghu n PHE 101 N 10.27 -3.38 -2.01 4.03 3.01 -0.61 -2.00 117.46 126.76 1ghu n PHE 101 Ca 0.09 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.13 1ghu n PHE 101 Cb 0.50 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.94 1ghu n PHE 101 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1ghu s GLY 102 N -2.55 0.58 0.00 1.37 0.00 -1.26 -3.60 107.32 101.86 1ghu s GLY 102 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.69 1ghu s GLY 102 CO 0.00 3.33 0.00 -2.01 0.00 0.00 0.00 173.10 174.42 1ghu n ASN 103 N 11.17 0.00 -3.84 1.64 5.15 -1.26 -4.98 115.26 123.15 1ghu n ASN 103 Ca 0.22 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 54.09 1ghu n ASN 103 Cb 0.49 -0.15 -0.12 0.00 -0.53 0.00 0.00 39.78 39.47 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 -1.28 -0.09 -0.38 1.20 1.01 -1.24 -5.13 116.67 110.76 1ghu s ASP 104 Ca 0.00 0.13 -0.21 0.00 0.71 0.00 0.00 52.55 53.18 1ghu s ASP 104 Cb 0.00 0.28 0.01 0.00 1.01 0.00 0.00 42.92 44.21 1ghu s ASP 104 CO 0.00 -0.16 0.66 -0.69 0.21 0.00 0.00 175.17 175.19 1ghu s VAL 105 N -0.42 4.85 -0.23 -1.27 1.01 -1.26 -1.58 120.40 121.51 1ghu s VAL 105 Ca -0.05 0.51 -0.16 0.00 0.00 0.00 0.00 61.98 62.29 1ghu s VAL 105 Cb -0.03 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1ghu s VAL 105 CO 0.01 -0.40 0.39 -1.10 0.00 0.00 0.00 175.10 174.00 1ghu s GLN 106 N 2.79 4.11 -0.22 2.72 -0.21 -0.62 -4.91 119.66 123.32 1ghu s GLN 106 Ca 0.25 0.15 -0.10 0.00 0.02 0.00 0.00 55.36 55.67 1ghu s GLN 106 Cb -0.14 -3.59 -0.05 0.00 1.00 0.00 0.00 33.01 30.23 1ghu s GLN 106 CO 0.16 -0.15 0.14 -1.01 -2.12 0.00 0.00 175.29 172.32 1ghu s HIS 107 N 1.66 3.35 -0.13 0.91 3.76 -1.26 -2.41 115.29 121.16 1ghu s HIS 107 Ca 0.18 0.25 0.02 0.00 -0.15 0.00 0.00 55.06 55.36 1ghu s HIS 107 Cb -0.15 -2.22 0.00 0.00 1.11 0.00 0.00 32.58 31.32 1ghu s HIS 107 CO 0.09 0.15 -0.21 -0.06 -0.85 0.00 0.00 174.74 173.86 1ghu s PHE 108 N 0.76 2.66 -0.27 1.40 0.08 -0.65 -5.01 117.98 116.95 1ghu s PHE 108 Ca 0.08 -1.19 -0.29 0.00 0.12 0.00 0.00 56.93 55.65 1ghu s PHE 108 Cb -0.12 -1.80 -0.00 0.00 -0.57 0.00 0.00 43.02 40.53 1ghu s PHE 108 CO 0.02 -0.52 1.26 0.15 -0.10 0.00 0.00 175.22 176.03 1ghu s LYS 109 N 0.66 4.01 -0.72 0.44 1.02 -1.26 -1.32 119.74 122.57 1ghu s LYS 109 Ca -0.10 1.32 -0.24 0.00 0.02 0.00 0.00 55.97 56.97 1ghu s LYS 109 Cb -0.16 -3.83 0.06 0.00 -0.52 0.00 0.00 37.83 33.38 1ghu s LYS 109 CO 0.02 -0.99 1.10 0.08 -0.92 0.00 0.00 175.35 174.64 1ghu s VAL 110 N 4.07 4.13 0.15 3.17 1.01 -0.63 -4.38 120.40 127.93 1ghu s VAL 110 Ca 0.54 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.04 1ghu s VAL 110 Cb -0.17 -4.79 -0.07 0.00 0.00 0.00 0.00 36.38 31.35 1ghu s VAL 110 CO 0.20 -1.62 0.90 -0.76 0.00 0.00 0.00 175.10 173.81 1ghu s LEU 111 N 4.58 4.56 -0.21 3.92 1.43 -0.59 -2.32 118.68 130.06 1ghu s LEU 111 Ca 0.28 1.77 -0.03 0.00 -1.03 0.00 0.00 54.13 55.13 1ghu s LEU 111 Cb -0.12 -3.50 -0.00 0.00 0.03 0.00 0.00 46.19 42.60 1ghu s LEU 111 CO 0.10 0.07 -0.07 -0.13 0.23 0.00 0.00 176.35 176.54 1ghu s ARG 112 N -0.60 3.32 -0.05 1.70 0.52 -1.26 -1.32 118.95 121.26 1ghu s ARG 112 Ca 0.42 -0.66 -0.02 0.00 -0.52 0.00 0.00 55.73 54.95 1ghu s ARG 112 Cb -0.24 -2.91 -0.01 0.00 0.52 0.00 0.00 34.95 32.31 1ghu s ARG 112 CO 0.29 -0.17 -0.04 0.38 0.02 0.00 0.00 175.30 175.78 1ghu h ASP 113 N 7.99 0.00 0.00 0.23 2.03 -1.91 -3.48 116.42 121.28 1ghu h ASP 113 Ca -0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 1ghu h ASP 113 Cb 1.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1ghu h ASP 113 CO 0.61 0.24 0.00 0.61 -1.03 0.00 0.00 179.24 179.67 1ghu n GLY 114 N 1.80 1.13 0.00 7.15 0.00 -1.26 -4.97 105.19 109.04 1ghu n GLY 114 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.06 4.61 0.00 -1.26 -4.78 120.51 113.02 1ghu n ALA 115 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1ghu n ALA 115 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 2.71 5.41 3.30 0.00 0.00 -1.26 -5.00 105.19 110.34 1ghu n GLY 116 Ca 0.00 -2.76 -0.45 0.00 0.00 0.00 0.00 46.02 42.81 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 -3.23 3.64 -0.31 1.61 -0.14 -1.26 -4.15 119.74 115.90 1ghu s LYS 117 Ca 0.44 -2.70 -0.27 0.00 -1.36 0.00 0.00 55.97 52.08 1ghu s LYS 117 Cb 0.22 -4.37 0.01 0.00 -1.68 0.00 0.00 37.83 32.01 1ghu s LYS 117 CO -0.09 -1.27 0.95 0.71 -0.76 0.00 0.00 175.35 174.90 1ghu s TYR 118 N -0.30 3.18 -0.14 3.18 2.02 -0.33 -2.74 117.35 122.22 1ghu s TYR 118 Ca 0.21 1.05 -0.02 0.00 -0.37 0.00 0.00 57.07 57.94 1ghu s TYR 118 Cb -0.11 -3.48 0.05 0.00 -0.40 0.00 0.00 41.96 38.02 1ghu s TYR 118 CO -0.08 -0.67 0.03 -0.59 -1.57 0.00 0.00 175.55 172.66 1ghu s PHE 119 N 3.34 0.79 -0.14 2.71 -0.71 -0.43 -1.68 117.98 121.86 1ghu s PHE 119 Ca 0.40 -0.52 -0.17 0.00 -1.04 0.00 0.00 56.93 55.60 1ghu s PHE 119 Cb -0.13 -0.90 -0.25 0.00 -1.21 0.00 0.00 43.02 40.53 1ghu s PHE 119 CO 0.14 -0.48 0.46 1.37 -1.34 0.00 0.00 175.22 175.36 1ghu h LEU 120 N 8.30 0.25 0.00 -1.99 -0.00 -1.83 -1.57 115.31 118.47 1ghu h LEU 120 Ca -0.17 -0.78 0.00 0.00 -0.00 0.00 0.00 57.88 56.92 1ghu h LEU 120 Cb 1.13 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 1ghu h LEU 120 CO 0.30 1.57 0.00 0.79 -0.00 0.00 0.00 178.44 181.10 1ghu n TRP 121 N -4.06 0.00 0.09 0.17 7.02 -1.26 -4.87 117.44 114.53 1ghu n TRP 121 Ca -0.27 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.21 1ghu n TRP 121 Cb 0.83 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.72 1ghu n TRP 121 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1ghu n VAL 122 N -0.36 0.00 -2.68 -0.99 0.31 -1.26 -5.11 118.33 108.24 1ghu n VAL 122 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1ghu n VAL 122 Cb 0.00 -0.47 -0.03 0.00 -0.91 0.00 0.00 33.84 32.43 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 -2.00 4.77 0.47 2.52 0.11 -1.26 -4.89 120.40 120.12 1ghu s VAL 123 Ca 0.00 2.00 -0.05 0.00 -2.93 0.00 0.00 61.98 61.00 1ghu s VAL 123 Cb 0.00 -4.28 -0.04 0.00 -1.53 0.00 0.00 36.38 30.53 1ghu s VAL 123 CO 0.00 0.12 0.78 -1.59 -3.33 0.00 0.00 175.10 171.07 1ghu s LYS 124 N 1.28 3.55 -0.06 1.54 0.00 -1.26 -4.54 119.74 120.24 1ghu s LYS 124 Ca 0.52 0.20 -0.03 0.00 0.00 0.00 0.00 55.97 56.66 1ghu s LYS 124 Cb -0.21 -2.39 0.04 0.00 0.00 0.00 0.00 37.83 35.27 1ghu s LYS 124 CO 0.26 -0.18 0.11 -0.06 0.00 0.00 0.00 175.35 175.47 1ghu s PHE 125 N -2.71 -0.07 0.24 1.78 0.08 -0.68 -4.87 117.98 111.75 1ghu s PHE 125 Ca 0.47 0.43 -0.07 0.00 0.12 0.00 0.00 56.93 57.89 1ghu s PHE 125 Cb -0.10 -0.33 0.27 0.00 -0.57 0.00 0.00 43.02 42.29 1ghu s PHE 125 CO 0.44 -0.22 1.88 -0.91 -0.10 0.00 0.00 175.22 176.31 1ghu h ASN 126 N 8.23 0.94 -3.26 1.36 2.35 -1.89 -0.85 115.58 122.46 1ghu h ASN 126 Ca -0.17 -0.01 -0.64 0.00 -0.55 0.00 0.00 56.30 54.93 1ghu h ASN 126 Cb 1.12 -0.21 -0.16 0.00 0.05 0.00 0.00 38.32 39.12 1ghu h ASN 126 CO 0.19 0.65 -0.75 -0.55 -1.65 0.00 0.00 177.43 175.32 1ghu s SER 127 N -5.90 4.15 0.49 5.81 0.15 -1.26 -4.68 113.70 112.47 1ghu s SER 127 Ca -0.13 -0.56 0.21 0.00 0.70 0.00 0.00 55.95 56.18 1ghu s SER 127 Cb 0.17 -0.68 1.27 0.00 -1.71 0.00 0.00 66.02 65.07 1ghu s SER 127 CO 0.80 0.13 2.05 -0.07 1.20 0.00 0.00 173.24 177.34 1ghu h LEU 128 N 3.21 0.00 -1.09 3.45 3.38 -1.93 -2.82 115.31 119.52 1ghu h LEU 128 Ca -0.48 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.52 1ghu h LEU 128 Cb 1.19 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 1ghu h LEU 128 CO 0.52 0.14 0.62 -1.13 0.09 0.00 0.00 178.44 178.68 1ghu h ASN 129 N 0.00 1.04 -0.23 -0.43 -0.73 -1.99 -1.49 115.58 111.75 1ghu h ASN 129 Ca -0.00 -0.02 -0.11 0.00 1.87 0.00 0.00 56.30 58.04 1ghu h ASN 129 Cb 0.31 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.65 1ghu h ASN 129 CO 0.02 0.72 -0.29 -0.33 -0.37 0.00 0.00 177.43 177.18 1ghu h GLU 130 N 1.21 0.60 -0.41 6.67 4.39 -1.92 -2.80 114.58 122.32 1ghu h GLU 130 Ca 0.37 -0.34 0.02 0.00 0.34 0.00 0.00 59.36 59.74 1ghu h GLU 130 Cb -0.03 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1ghu h GLU 130 CO -0.10 0.94 0.24 1.25 -1.16 0.00 0.00 179.01 180.19 1ghu h LEU 131 N 0.30 0.40 -0.08 1.33 6.46 -1.48 -2.60 115.31 119.64 1ghu h LEU 131 Ca 0.03 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 1ghu h LEU 131 Cb 0.86 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.71 1ghu h LEU 131 CO 0.07 0.29 -0.04 1.62 -0.62 0.00 0.00 178.44 179.76 1ghu h VAL 132 N 0.50 1.32 -0.75 1.05 3.04 -1.38 -3.04 116.25 117.00 1ghu h VAL 132 Ca 0.16 -1.04 0.10 0.00 -1.01 0.00 0.00 66.70 64.91 1ghu h VAL 132 Cb 0.00 1.86 -0.05 0.00 -2.01 0.00 0.00 31.29 31.09 1ghu h VAL 132 CO -0.07 0.29 0.49 -0.78 -1.01 0.00 0.00 177.57 176.49 1ghu h ASP 133 N -0.21 0.59 0.25 3.17 3.58 -1.60 -2.25 116.42 119.95 1ghu h ASP 133 Ca 0.02 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.49 1ghu h ASP 133 Cb 0.48 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 1ghu h ASP 133 CO 0.01 0.35 -0.32 0.22 -2.88 0.00 0.00 179.24 176.62 1ghu h TYR 134 N 0.66 -0.87 0.00 0.28 3.20 -1.44 -3.16 116.97 115.63 1ghu h TYR 134 Ca 0.34 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.23 1ghu h TYR 134 Cb 0.47 0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.09 1ghu h TYR 134 CO -0.00 -0.45 0.00 0.72 -1.64 0.00 0.00 178.16 176.79 1ghu n HIS 135 N -5.43 0.00 0.17 -3.82 8.25 -1.10 -1.24 115.22 112.05 1ghu n HIS 135 Ca -0.08 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.41 1ghu n HIS 135 Cb 0.34 -0.46 0.26 0.00 1.12 0.00 0.00 29.99 31.25 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 0.02 -0.41 3.08 -1.37 -3.37 114.38 112.33 1ghu h ARG 136 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 1ghu h ARG 136 Cb 0.31 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 1ghu h ARG 136 CO 0.00 0.46 -2.35 0.43 -1.07 0.00 0.00 179.97 177.43 1ghu n SER 137 N -3.57 2.00 -4.80 7.04 7.64 -1.14 -4.87 113.62 115.92 1ghu n SER 137 Ca -0.00 0.03 -0.37 0.00 1.01 0.00 0.00 58.87 59.53 1ghu n SER 137 Cb 0.56 -0.58 -0.06 0.00 -1.01 0.00 0.00 64.21 63.12 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 -2.52 4.55 -0.10 0.44 2.01 -0.37 -5.06 115.64 114.58 1ghu s THR 138 Ca -0.33 1.38 -0.30 0.00 0.31 0.00 0.00 61.69 62.75 1ghu s THR 138 Cb 0.09 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1ghu s THR 138 CO 0.61 0.35 1.39 -0.55 -0.69 0.00 0.00 174.62 175.73 1ghu s SER 139 N -1.43 6.86 0.38 3.53 0.15 -1.26 -4.38 113.70 117.55 1ghu s SER 139 Ca 0.39 1.91 0.06 0.00 0.70 0.00 0.00 55.95 59.01 1ghu s SER 139 Cb -0.19 -2.54 0.78 0.00 -1.71 0.00 0.00 66.02 62.36 1ghu s SER 139 CO 0.22 -0.79 1.99 1.62 1.20 0.00 0.00 173.24 177.48 1ghu h VAL 140 N 5.40 1.05 0.00 4.45 3.04 -1.77 -3.22 116.25 125.20 1ghu h VAL 140 Ca -0.32 -0.24 -0.17 0.00 -1.01 0.00 0.00 66.70 64.96 1ghu h VAL 140 Cb 1.14 0.29 -0.02 0.00 -2.01 0.00 0.00 31.29 30.68 1ghu h VAL 140 CO 0.95 0.13 -0.79 -1.28 -1.01 0.00 0.00 177.57 175.57 1ghu h SER 141 N 0.70 0.00 0.00 3.17 0.87 -1.78 -3.50 113.55 113.02 1ghu h SER 141 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1ghu h SER 141 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1ghu h SER 141 CO -0.08 0.79 0.00 0.54 -0.53 0.00 0.00 176.83 177.55 1ghu n ARG 142 N -3.33 0.00 0.09 2.24 1.74 -1.22 -4.53 116.66 111.65 1ghu n ARG 142 Ca 0.01 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.96 1ghu n ARG 142 Cb 0.84 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 32.20 1ghu n ARG 142 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1ghu h ASN 143 N 0.00 -0.20 -4.13 0.55 2.35 -1.95 -3.44 115.58 108.76 1ghu h ASN 143 Ca 0.00 -0.26 -0.46 0.00 -0.55 0.00 0.00 56.30 55.03 1ghu h ASN 143 Cb 0.00 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1ghu h ASN 143 CO 0.00 0.18 0.36 -1.10 -1.65 0.00 0.00 177.43 175.21 1ghu s GLN 144 N -4.60 4.06 -0.98 0.81 -0.21 -1.26 -5.02 119.66 112.46 1ghu s GLN 144 Ca -0.14 1.05 -0.18 0.00 0.02 0.00 0.00 55.36 56.11 1ghu s GLN 144 Cb 0.02 -2.15 0.14 0.00 1.00 0.00 0.00 33.01 32.02 1ghu s GLN 144 CO 0.59 -0.17 1.17 -0.65 -2.12 0.00 0.00 175.29 174.11 1ghu s GLN 145 N -3.62 3.70 -0.03 2.91 -0.21 -1.26 -4.45 119.66 116.70 1ghu s GLN 145 Ca 0.61 -1.95 0.03 0.00 0.02 0.00 0.00 55.36 54.08 1ghu s GLN 145 Cb -0.10 -4.93 -0.03 0.00 1.00 0.00 0.00 33.01 28.95 1ghu s GLN 145 CO 0.22 -1.76 -0.12 0.42 -2.12 0.00 0.00 175.29 171.94 1ghu s ILE 146 N 2.38 3.25 -0.04 1.08 -1.09 -1.26 -5.07 121.20 120.45 1ghu s ILE 146 Ca 0.34 -0.74 -0.09 0.00 -2.23 0.00 0.00 60.65 57.92 1ghu s ILE 146 Cb -0.05 -2.32 0.02 0.00 -1.58 0.00 0.00 42.46 38.53 1ghu s ILE 146 CO -0.08 0.53 0.22 -0.36 -1.23 0.00 0.00 174.94 174.02 1ghu s PHE 147 N -0.82 -0.14 -0.30 3.97 0.08 -1.26 -3.01 117.98 116.50 1ghu s PHE 147 Ca 0.13 0.29 -0.26 0.00 0.12 0.00 0.00 56.93 57.21 1ghu s PHE 147 Cb -0.11 0.04 0.01 0.00 -0.57 0.00 0.00 43.02 42.39 1ghu s PHE 147 CO 0.03 -0.24 0.91 -0.51 -0.10 0.00 0.00 175.22 175.31 1ghu s LEU 148 N -0.73 4.03 -0.09 -0.37 1.02 -1.26 -4.11 118.68 117.17 1ghu s LEU 148 Ca -0.08 0.87 -0.01 0.00 0.02 0.00 0.00 54.13 54.93 1ghu s LEU 148 Cb -0.05 -3.28 -0.03 0.00 0.02 0.00 0.00 46.19 42.85 1ghu s LEU 148 CO 0.02 -0.71 -0.04 -0.13 0.02 0.00 0.00 176.35 175.50 1ghu s ARG 149 N 3.22 3.03 0.35 1.70 1.81 -0.75 -4.84 118.95 123.47 1ghu s ARG 149 Ca 0.38 -0.51 -0.27 0.00 -1.72 0.00 0.00 55.73 53.62 1ghu s ARG 149 Cb -0.14 -2.72 -0.09 0.00 -0.45 0.00 0.00 34.95 31.56 1ghu s ARG 149 CO 0.13 0.57 1.10 0.34 -0.68 0.00 0.00 175.30 176.76 1ghu s ASP 150 N -0.54 6.92 0.78 0.23 2.15 -1.26 -3.18 116.67 121.77 1ghu s ASP 150 Ca 0.08 2.22 -0.13 0.00 0.43 0.00 0.00 52.55 55.15 1ghu s ASP 150 Cb -0.12 -2.61 0.06 0.00 -0.30 0.00 0.00 42.92 39.96 1ghu s ASP 150 CO 0.02 -0.38 1.17 0.27 -0.17 0.00 0.00 175.17 176.08 1ghu s ILE 151 N -1.38 2.43 -2.51 4.11 -4.36 -1.26 -4.91 121.20 113.31 1ghu s ILE 151 Ca 0.52 0.18 0.28 0.00 -0.26 0.00 0.00 60.65 61.37 1ghu s ILE 151 Cb -0.28 -2.60 0.55 0.00 1.25 0.00 0.00 42.46 41.37 1ghu s ILE 151 CO 0.36 -0.14 1.74 1.21 0.24 0.00 0.00 174.94 178.35