#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ghu n SER 59 N 0.00 -7.53 -0.04 1.61 3.41 -1.26 -3.67 113.62 106.14 1ghu n SER 59 Ca 0.00 0.89 -0.15 0.00 -0.26 0.00 0.00 58.87 59.35 1ghu n SER 59 Cb 0.00 -4.32 -0.13 0.00 -0.26 0.00 0.00 64.21 59.50 1ghu n SER 59 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1ghu h TRP 60 N 2.83 0.12 -3.40 7.33 5.08 -1.98 -3.43 115.95 122.50 1ghu h TRP 60 Ca -0.05 -0.08 -0.55 0.00 1.08 0.00 0.00 58.89 59.29 1ghu h TRP 60 Cb 0.55 -0.01 -0.04 0.00 -3.00 0.00 0.00 29.16 26.66 1ghu h TRP 60 CO 0.03 0.98 0.12 0.12 -1.28 0.00 0.00 178.44 178.41 1ghu s PHE 61 N -2.60 3.75 0.00 0.12 5.36 -1.26 -2.91 117.98 120.43 1ghu s PHE 61 Ca -0.17 1.42 0.00 0.00 -0.96 0.00 0.00 56.93 57.22 1ghu s PHE 61 Cb -0.01 -2.75 0.00 0.00 -0.34 0.00 0.00 43.02 39.92 1ghu s PHE 61 CO 0.72 0.34 0.00 1.19 -1.46 0.00 0.00 175.22 176.01 1ghu n PHE 62 N 2.57 0.00 -0.04 10.12 3.01 -1.14 -4.98 117.46 127.01 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 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 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 4.01 -0.38 3.52 1.37 0.00 -1.26 -4.96 105.19 107.50 1ghu n GLY 63 Ca 0.00 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1ghu n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ghu s LYS 64 N -2.00 3.61 0.06 1.61 1.02 -1.26 -1.70 119.74 121.09 1ghu s LYS 64 Ca 0.00 -1.37 0.08 0.00 0.02 0.00 0.00 55.97 54.70 1ghu s LYS 64 Cb 0.00 -5.22 -0.03 0.00 -0.52 0.00 0.00 37.83 32.06 1ghu s LYS 64 CO 0.00 -2.07 -0.21 0.96 -0.92 0.00 0.00 175.35 173.11 1ghu s ILE 65 N 4.18 1.72 1.03 2.17 -0.00 -1.26 -5.04 121.20 124.01 1ghu s ILE 65 Ca 0.42 -1.33 -0.16 0.00 -0.00 0.00 0.00 60.65 59.57 1ghu s ILE 65 Cb -0.01 -1.52 0.04 0.00 -0.00 0.00 0.00 42.46 40.97 1ghu s ILE 65 CO -0.09 0.13 0.03 -2.65 -0.00 0.00 0.00 174.94 172.36 1ghu n PRO 66 N 1.58 -0.83 -0.30 0.37 -0.02 -1.26 -4.74 135.00 129.79 1ghu n PRO 66 Ca -0.18 -0.22 -0.03 0.00 -2.02 0.00 0.00 63.50 61.06 1ghu n PRO 66 Cb 0.53 -1.68 0.09 0.00 -0.02 0.00 0.00 33.50 32.43 1ghu n PRO 66 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1ghu h ARG 67 N -1.71 1.02 -0.31 -0.52 2.43 -2.00 -2.16 114.38 111.13 1ghu h ARG 67 Ca -0.48 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.59 1ghu h ARG 67 Cb 1.32 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1ghu h ARG 67 CO 0.34 0.68 0.05 0.00 -1.51 0.00 0.00 179.97 179.53 1ghu h ALA 68 N 1.33 0.41 -0.63 2.80 0.00 -2.00 -2.38 119.26 118.80 1ghu h ALA 68 Ca 0.32 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ghu h ALA 68 Cb -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1ghu h ALA 68 CO -0.10 0.11 0.30 0.87 0.00 0.00 0.00 179.25 180.43 1ghu h LYS 69 N 0.33 0.89 -0.39 0.00 1.79 -1.91 -1.96 116.57 115.32 1ghu h LYS 69 Ca 0.09 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 1ghu h LYS 69 Cb 0.35 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1ghu h LYS 69 CO 0.01 0.69 0.13 0.00 -1.08 0.00 0.00 179.45 179.20 1ghu h ALA 70 N 1.44 0.51 -0.92 3.86 0.00 -1.40 -2.89 119.26 119.87 1ghu h ALA 70 Ca 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ghu h ALA 70 Cb 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1ghu h ALA 70 CO -0.03 0.15 0.52 0.93 0.00 0.00 0.00 179.25 180.82 1ghu h GLU 71 N 0.49 1.27 -0.34 0.00 5.08 -1.37 -2.84 114.58 116.87 1ghu h GLU 71 Ca 0.13 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ghu h GLU 71 Cb 0.24 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1ghu h GLU 71 CO -0.01 0.91 0.19 0.93 -1.00 0.00 0.00 179.01 180.04 1ghu h GLU 72 N 1.28 0.48 -0.34 2.33 5.08 -1.39 -1.79 114.58 120.23 1ghu h GLU 72 Ca 0.33 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1ghu h GLU 72 Cb -0.00 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1ghu h GLU 72 CO -0.06 0.40 0.23 0.52 -1.00 0.00 0.00 179.01 179.09 1ghu h MET 73 N 0.43 0.45 -0.05 2.33 2.86 -1.54 -3.26 114.93 116.16 1ghu h MET 73 Ca 0.12 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.58 1ghu h MET 73 Cb 0.06 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1ghu h MET 73 CO -0.02 0.31 -0.64 -0.07 1.06 0.00 0.00 176.91 177.54 1ghu h LEU 74 N 0.46 0.23 -1.47 1.22 3.38 -1.53 -3.23 115.31 114.38 1ghu h LEU 74 Ca 0.13 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1ghu h LEU 74 Cb -0.05 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1ghu h LEU 74 CO -0.03 0.81 0.48 -1.28 0.09 0.00 0.00 178.44 178.51 1ghu h SER 75 N 0.14 0.53 -0.95 -0.43 0.87 -1.38 -2.59 113.55 109.74 1ghu h SER 75 Ca -0.01 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1ghu h SER 75 Cb 1.16 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.98 1ghu h SER 75 CO 0.10 0.31 0.62 0.50 -0.53 0.00 0.00 176.83 177.83 1ghu h LYS 76 N 0.58 1.25 -6.71 2.24 3.64 -1.60 -3.45 116.57 112.53 1ghu h LYS 76 Ca 0.34 -0.08 -0.52 0.00 -1.27 0.00 0.00 60.65 59.11 1ghu h LYS 76 Cb 0.53 -0.28 0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1ghu h LYS 76 CO -0.12 0.84 0.69 -0.65 -2.27 0.00 0.00 179.45 177.95 1ghu s GLN 77 N -6.04 4.34 0.01 1.90 1.11 -0.98 -4.98 119.66 115.03 1ghu s GLN 77 Ca -0.13 2.15 0.21 0.00 0.01 0.00 0.00 55.36 57.61 1ghu s GLN 77 Cb 0.18 -3.16 0.90 0.00 -1.01 0.00 0.00 33.01 29.91 1ghu s GLN 77 CO 0.81 -0.32 1.67 2.89 0.01 0.00 0.00 175.29 180.36 1ghu n ARG 78 N 2.50 0.01 -3.27 2.91 0.00 -1.26 -4.94 116.66 112.61 1ghu n ARG 78 Ca 0.06 0.15 -0.39 0.00 -0.00 0.00 0.00 57.85 57.67 1ghu n ARG 78 Cb 0.42 -1.51 -0.06 0.00 -0.00 0.00 0.00 32.46 31.30 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 -3.01 3.74 -0.65 2.89 3.76 -1.26 -5.03 115.29 115.73 1ghu s HIS 79 Ca 0.10 1.20 -0.27 0.00 -0.15 0.00 0.00 55.06 55.93 1ghu s HIS 79 Cb 0.14 -2.52 0.03 0.00 1.11 0.00 0.00 32.58 31.33 1ghu s HIS 79 CO 0.39 0.48 1.21 0.34 -0.85 0.00 0.00 174.74 176.31 1ghu s ASP 80 N -0.66 6.32 0.00 1.40 -1.08 -1.26 -2.69 116.67 118.70 1ghu s ASP 80 Ca 0.29 -0.15 0.00 0.00 -0.52 0.00 0.00 52.55 52.17 1ghu s ASP 80 Cb -0.19 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 1ghu s ASP 80 CO 0.17 -1.62 0.00 0.61 0.52 0.00 0.00 175.17 174.86 1ghu n GLY 81 N 5.20 1.30 3.66 2.66 0.00 -1.10 -4.61 105.19 112.30 1ghu n GLY 81 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 3.63 0.11 4.61 0.00 -1.10 -1.42 121.76 125.60 1ghu s ALA 82 Ca 0.00 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.78 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 -1.32 -0.10 -0.59 0.00 0.00 0.00 175.76 173.75 1ghu s PHE 83 N 3.84 1.11 -0.04 0.00 -0.71 -1.17 -2.21 117.98 118.80 1ghu s PHE 83 Ca 0.67 -0.72 -0.01 0.00 -1.04 0.00 0.00 56.93 55.83 1ghu s PHE 83 Cb -0.30 -0.60 0.03 0.00 -1.21 0.00 0.00 43.02 40.95 1ghu s PHE 83 CO 0.25 0.01 0.07 -0.48 -1.34 0.00 0.00 175.22 173.73 1ghu s LEU 84 N -2.74 0.59 -0.49 -1.99 0.05 -0.47 -4.50 118.68 109.13 1ghu s LEU 84 Ca 0.10 0.12 -0.26 0.00 0.05 0.00 0.00 54.13 54.13 1ghu s LEU 84 Cb -0.00 -0.00 0.03 0.00 -2.05 0.00 0.00 46.19 44.17 1ghu s LEU 84 CO -0.00 -0.18 1.00 -0.63 -0.55 0.00 0.00 176.35 175.98 1ghu s ILE 85 N 1.59 4.35 0.37 1.48 1.01 -1.15 -2.24 121.20 126.62 1ghu s ILE 85 Ca -0.03 0.77 -0.05 0.00 0.00 0.00 0.00 60.65 61.34 1ghu s ILE 85 Cb -0.12 -4.52 -0.05 0.00 0.01 0.00 0.00 42.46 37.78 1ghu s ILE 85 CO -0.04 -0.98 0.66 0.00 0.00 0.00 0.00 174.94 174.59 1ghu s ARG 86 N 4.06 3.62 -0.02 2.79 1.70 -0.82 -2.88 118.95 127.40 1ghu s ARG 86 Ca 0.39 0.11 -0.21 0.00 -0.47 0.00 0.00 55.73 55.55 1ghu s ARG 86 Cb -0.10 -2.52 -0.05 0.00 -0.57 0.00 0.00 34.95 31.71 1ghu s ARG 86 CO 0.26 0.04 0.60 -2.00 -1.08 0.00 0.00 175.30 173.11 1ghu s GLU 87 N -4.05 4.33 0.20 3.89 2.12 -0.69 -1.48 118.70 123.02 1ghu s GLU 87 Ca 0.46 0.73 -0.31 0.00 0.36 0.00 0.00 54.97 56.21 1ghu s GLU 87 Cb -0.10 -3.36 -0.10 0.00 0.26 0.00 0.00 34.13 30.83 1ghu s GLU 87 CO 0.35 0.32 1.47 -1.12 -0.54 0.00 0.00 175.26 175.74 1ghu s SER 88 N -0.02 6.67 0.11 -1.70 0.01 -0.85 -4.21 113.70 113.71 1ghu s SER 88 Ca 0.31 2.58 -0.28 0.00 1.31 0.00 0.00 55.95 59.87 1ghu s SER 88 Cb -0.18 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.35 1ghu s SER 88 CO 0.17 -0.73 1.63 -0.33 0.41 0.00 0.00 173.24 174.39 1ghu h GLU 89 N 5.94 -0.51 -0.09 12.44 4.39 -1.91 -3.20 114.58 131.63 1ghu h GLU 89 Ca -0.44 0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.21 1ghu h GLU 89 Cb 1.21 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1ghu h GLU 89 CO 0.84 -0.34 -0.28 1.03 -1.16 0.00 0.00 179.01 179.10 1ghu h SER 90 N -0.53 0.41 -3.62 1.42 0.87 -1.98 -3.44 113.55 106.67 1ghu h SER 90 Ca 0.02 -0.60 -0.70 0.00 -1.23 0.00 0.00 61.79 59.27 1ghu h SER 90 Cb 0.54 -0.12 -0.28 0.00 -0.44 0.00 0.00 62.40 62.09 1ghu h SER 90 CO -0.13 0.94 -0.57 0.00 -0.53 0.00 0.00 176.83 176.54 1ghu s ALA 91 N -3.82 3.11 0.29 6.23 0.00 -1.21 -5.02 121.76 121.34 1ghu s ALA 91 Ca -0.14 -1.85 0.07 0.00 0.00 0.00 0.00 51.96 50.04 1ghu s ALA 91 Cb 0.04 -2.37 0.43 0.00 0.00 0.00 0.00 23.12 21.22 1ghu s ALA 91 CO 0.77 -1.42 1.68 -1.00 0.00 0.00 0.00 175.76 175.80 1ghu h PRO 92 N 8.26 0.22 0.00 0.00 0.13 -1.86 -3.01 132.00 135.74 1ghu h PRO 92 Ca -0.23 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1ghu h PRO 92 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1ghu h PRO 92 CO 0.64 0.63 0.00 0.78 -0.23 0.00 0.00 178.00 179.81 1ghu h GLY 93 N 1.28 0.00 -5.02 1.56 0.00 -1.95 -3.43 103.07 95.50 1ghu h GLY 93 Ca 0.01 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.75 1ghu h GLY 93 CO 0.07 0.00 -0.15 0.99 0.00 0.00 0.00 176.54 177.44 1ghu s ASP 94 N -5.25 6.84 0.37 0.19 1.01 -1.14 -4.79 116.67 113.90 1ghu s ASP 94 Ca -0.01 1.00 0.06 0.00 0.71 0.00 0.00 52.55 54.30 1ghu s ASP 94 Cb 0.10 -2.28 -0.07 0.00 1.01 0.00 0.00 42.92 41.68 1ghu s ASP 94 CO 0.46 0.25 0.03 -0.36 0.21 0.00 0.00 175.17 175.76 1ghu s PHE 95 N -0.76 2.29 -0.08 4.23 0.08 -0.89 -2.01 117.98 120.83 1ghu s PHE 95 Ca 0.25 -0.79 -0.03 0.00 0.12 0.00 0.00 56.93 56.48 1ghu s PHE 95 Cb -0.17 -1.57 0.05 0.00 -0.57 0.00 0.00 43.02 40.75 1ghu s PHE 95 CO 0.14 0.27 0.15 -1.12 -0.10 0.00 0.00 175.22 174.55 1ghu s SER 96 N -3.62 0.82 -0.59 1.36 0.01 -0.55 -1.43 113.70 109.70 1ghu s SER 96 Ca 0.36 0.29 -0.28 0.00 1.31 0.00 0.00 55.95 57.63 1ghu s SER 96 Cb 0.09 0.23 0.03 0.00 0.21 0.00 0.00 66.02 66.58 1ghu s SER 96 CO 0.17 -0.25 1.21 -0.22 0.41 0.00 0.00 173.24 174.56 1ghu s LEU 97 N 2.28 3.43 -0.45 2.44 2.96 -0.50 -1.94 118.68 126.90 1ghu s LEU 97 Ca 0.03 0.07 -0.21 0.00 -0.22 0.00 0.00 54.13 53.81 1ghu s LEU 97 Cb -0.12 -3.12 0.03 0.00 0.50 0.00 0.00 46.19 43.48 1ghu s LEU 97 CO -0.06 -1.52 0.67 -0.44 -1.32 0.00 0.00 176.35 173.69 1ghu s SER 98 N 3.07 6.33 -0.01 3.68 0.01 -0.95 -1.65 113.70 124.18 1ghu s SER 98 Ca 0.43 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.35 1ghu s SER 98 Cb -0.08 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1ghu s SER 98 CO 0.25 -0.82 -0.02 0.54 0.41 0.00 0.00 173.24 173.60 1ghu s VAL 99 N 2.90 0.22 -0.16 3.43 0.11 -1.07 -1.37 120.40 124.46 1ghu s VAL 99 Ca 0.23 -0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 58.91 1ghu s VAL 99 Cb -0.14 -0.22 -0.02 0.00 -1.53 0.00 0.00 36.38 34.46 1ghu s VAL 99 CO 0.19 0.09 1.39 -0.54 -3.33 0.00 0.00 175.10 172.90 1ghu s LYS 100 N 0.20 4.14 -0.52 1.54 1.02 -0.94 -1.40 119.74 123.78 1ghu s LYS 100 Ca -0.02 1.73 -0.08 0.00 0.02 0.00 0.00 55.97 57.62 1ghu s LYS 100 Cb -0.04 -3.86 0.13 0.00 -0.52 0.00 0.00 37.83 33.54 1ghu s LYS 100 CO -0.00 -0.85 0.38 -0.06 -0.92 0.00 0.00 175.35 173.90 1ghu s PHE 101 N 3.91 3.47 0.00 3.18 0.40 -0.64 -2.69 117.98 125.60 1ghu s PHE 101 Ca 0.61 -2.07 0.00 0.00 -0.60 0.00 0.00 56.93 54.87 1ghu s PHE 101 Cb -0.24 -3.46 0.00 0.00 0.51 0.00 0.00 43.02 39.83 1ghu s PHE 101 CO 0.20 -0.97 0.00 0.41 0.70 0.00 0.00 175.22 175.56 1ghu n GLY 102 N 4.58 2.01 0.00 4.36 0.00 -1.26 -3.43 105.19 111.44 1ghu n GLY 102 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1ghu n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ghu n ASN 103 N 6.25 2.49 -4.77 1.61 3.02 -1.26 -4.68 115.26 117.91 1ghu n ASN 103 Ca 0.00 -0.08 -0.39 0.00 -0.03 0.00 0.00 54.58 54.08 1ghu n ASN 103 Cb 0.00 0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 39.77 1ghu n ASN 103 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1ghu s ASP 104 N -1.15 7.24 -0.52 6.41 1.01 -1.22 -4.92 116.67 123.51 1ghu s ASP 104 Ca 0.00 1.47 -0.22 0.00 0.71 0.00 0.00 52.55 54.50 1ghu s ASP 104 Cb 0.00 -2.45 0.04 0.00 1.01 0.00 0.00 42.92 41.52 1ghu s ASP 104 CO 0.00 0.15 0.81 -0.69 0.21 0.00 0.00 175.17 175.65 1ghu s VAL 105 N -0.72 4.59 -0.24 -1.27 1.01 -1.26 -1.62 120.40 120.89 1ghu s VAL 105 Ca 0.35 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 1ghu s VAL 105 Cb -0.21 -4.42 -0.05 0.00 0.00 0.00 0.00 36.38 31.70 1ghu s VAL 105 CO 0.23 -0.94 0.14 -1.10 0.00 0.00 0.00 175.10 173.43 1ghu s GLN 106 N 3.41 4.01 -0.16 2.72 -0.21 -0.49 -4.89 119.66 124.04 1ghu s GLN 106 Ca 0.25 -0.30 -0.12 0.00 0.02 0.00 0.00 55.36 55.21 1ghu s GLN 106 Cb -0.15 -3.49 -0.05 0.00 1.00 0.00 0.00 33.01 30.33 1ghu s GLN 106 CO 0.17 0.05 0.23 -1.01 -2.12 0.00 0.00 175.29 172.61 1ghu s HIS 107 N 1.07 3.47 -0.09 0.91 3.76 -1.26 -2.59 115.29 120.54 1ghu s HIS 107 Ca 0.07 0.51 0.01 0.00 -0.15 0.00 0.00 55.06 55.50 1ghu s HIS 107 Cb -0.14 -2.24 0.02 0.00 1.11 0.00 0.00 32.58 31.33 1ghu s HIS 107 CO 0.04 0.32 -0.11 -0.06 -0.85 0.00 0.00 174.74 174.08 1ghu s PHE 108 N 0.24 1.60 -0.29 1.40 0.08 -0.66 -5.00 117.98 115.35 1ghu s PHE 108 Ca 0.14 -0.72 -0.28 0.00 0.12 0.00 0.00 56.93 56.19 1ghu s PHE 108 Cb -0.12 -1.22 0.01 0.00 -0.57 0.00 0.00 43.02 41.12 1ghu s PHE 108 CO 0.02 -0.42 1.03 0.21 -0.10 0.00 0.00 175.22 175.96 1ghu s LYS 109 N 1.15 4.11 -0.62 0.44 2.47 -1.26 -1.40 119.74 124.61 1ghu s LYS 109 Ca -0.05 1.09 -0.24 0.00 -1.56 0.00 0.00 55.97 55.20 1ghu s LYS 109 Cb -0.14 -3.71 0.05 0.00 -1.46 0.00 0.00 37.83 32.57 1ghu s LYS 109 CO -0.02 -0.80 1.03 0.08 0.16 0.00 0.00 175.35 175.79 1ghu s VAL 110 N 3.44 4.22 0.04 4.02 1.01 -0.52 -4.36 120.40 128.26 1ghu s VAL 110 Ca 0.43 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.62 1ghu s VAL 110 Cb -0.13 -4.67 -0.03 0.00 0.00 0.00 0.00 36.38 31.55 1ghu s VAL 110 CO 0.12 -1.38 -0.24 -1.48 0.00 0.00 0.00 175.10 172.12 1ghu s LEU 111 N 4.37 2.16 0.36 3.92 0.05 -1.00 -2.11 118.68 126.43 1ghu s LEU 111 Ca 0.29 -0.55 -0.06 0.00 0.05 0.00 0.00 54.13 53.86 1ghu s LEU 111 Cb -0.13 -1.16 -0.05 0.00 -2.05 0.00 0.00 46.19 42.80 1ghu s LEU 111 CO 0.16 0.23 0.66 -0.13 -0.55 0.00 0.00 176.35 176.71 1ghu s ARG 112 N -1.15 3.66 -0.07 1.48 0.52 -1.26 -1.99 118.95 120.14 1ghu s ARG 112 Ca 0.10 0.17 -0.08 0.00 -0.52 0.00 0.00 55.73 55.40 1ghu s ARG 112 Cb -0.09 -2.52 -0.03 0.00 0.52 0.00 0.00 34.95 32.83 1ghu s ARG 112 CO 0.02 0.07 -0.16 -0.40 0.02 0.00 0.00 175.30 174.85 1ghu n ASP 113 N -1.30 1.00 0.00 0.23 5.75 -1.02 -4.98 116.55 116.23 1ghu n ASP 113 Ca -0.00 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 1ghu n ASP 113 Cb 0.54 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1ghu n ASP 113 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ghu n GLY 114 N 1.92 0.48 0.07 6.12 0.00 -1.26 -4.99 105.19 107.53 1ghu n GLY 114 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.90 -0.22 -1.87 4.61 0.00 -2.02 -3.43 119.26 114.43 1ghu h ALA 115 Ca 0.00 -0.03 -0.48 0.00 0.00 0.00 0.00 54.91 54.40 1ghu h ALA 115 Cb 0.00 0.05 -0.40 0.00 0.00 0.00 0.00 17.79 17.43 1ghu h ALA 115 CO 0.00 -0.21 -1.09 0.41 0.00 0.00 0.00 179.25 178.35 1ghu n GLY 116 N 1.28 3.68 3.21 0.00 0.00 -1.26 -5.05 105.19 107.05 1ghu n GLY 116 Ca -0.02 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.75 3.16 -0.18 1.61 3.01 -1.26 -4.29 119.74 119.04 1ghu s LYS 117 Ca 0.40 -2.61 -0.28 0.00 -1.01 0.00 0.00 55.97 52.47 1ghu s LYS 117 Cb 0.36 -4.09 -0.00 0.00 -1.01 0.00 0.00 37.83 33.09 1ghu s LYS 117 CO -0.07 -1.24 0.98 0.71 0.51 0.00 0.00 175.35 176.24 1ghu s TYR 118 N -0.15 3.41 -0.05 3.18 2.02 -0.38 -2.43 117.35 122.95 1ghu s TYR 118 Ca 0.19 1.46 -0.01 0.00 -0.37 0.00 0.00 57.07 58.34 1ghu s TYR 118 Cb -0.14 -3.19 0.03 0.00 -0.40 0.00 0.00 41.96 38.26 1ghu s TYR 118 CO -0.07 -0.35 0.02 -0.59 -1.57 0.00 0.00 175.55 172.99 1ghu s PHE 119 N 2.59 0.37 -0.18 2.71 -0.71 -0.84 -1.57 117.98 120.34 1ghu s PHE 119 Ca 0.44 0.01 -0.07 0.00 -1.04 0.00 0.00 56.93 56.27 1ghu s PHE 119 Cb -0.16 -0.56 -0.09 0.00 -1.21 0.00 0.00 43.02 41.00 1ghu s PHE 119 CO 0.11 -0.21 -0.22 1.47 -1.34 0.00 0.00 175.22 175.04 1ghu n LEU 120 N 4.75 1.67 -0.01 -1.99 -0.00 -1.26 -2.37 117.00 117.79 1ghu n LEU 120 Ca -0.14 0.15 -0.01 0.00 -0.00 0.00 0.00 56.01 56.02 1ghu n LEU 120 Cb 0.50 -0.55 -0.00 0.00 -0.00 0.00 0.00 43.42 43.37 1ghu n LEU 120 CO 0.14 0.47 -0.04 -0.25 -0.00 0.00 0.00 177.39 177.72 1ghu h TRP 121 N -0.51 0.00 0.00 1.47 7.01 -1.93 -3.48 115.95 118.51 1ghu h TRP 121 Ca -0.45 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.55 1ghu h TRP 121 Cb 1.45 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.51 1ghu h TRP 121 CO -0.04 0.00 0.00 1.55 -2.79 0.00 0.00 178.44 177.16 1ghu n VAL 122 N -2.53 0.00 -2.74 2.65 3.14 -1.26 -5.14 118.33 112.45 1ghu n VAL 122 Ca -0.01 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.97 1ghu n VAL 122 Cb 0.03 -0.10 -0.06 0.00 -1.06 0.00 0.00 33.84 32.66 1ghu n VAL 122 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1ghu s VAL 123 N -1.31 4.15 0.53 1.55 0.11 -1.26 -4.96 120.40 119.21 1ghu s VAL 123 Ca 0.00 2.08 -0.09 0.00 -2.93 0.00 0.00 61.98 61.04 1ghu s VAL 123 Cb 0.00 -4.32 -0.04 0.00 -1.53 0.00 0.00 36.38 30.48 1ghu s VAL 123 CO 0.00 0.46 0.89 -1.59 -3.33 0.00 0.00 175.10 171.53 1ghu s LYS 124 N -0.93 3.63 -0.04 1.54 0.00 -1.26 -4.69 119.74 117.99 1ghu s LYS 124 Ca 0.42 0.51 -0.02 0.00 0.00 0.00 0.00 55.97 56.88 1ghu s LYS 124 Cb -0.26 -2.25 0.03 0.00 0.00 0.00 0.00 37.83 35.36 1ghu s LYS 124 CO 0.32 -0.33 0.06 -0.06 0.00 0.00 0.00 175.35 175.34 1ghu s PHE 125 N -2.85 0.02 0.41 1.78 0.08 -0.61 -4.91 117.98 111.90 1ghu s PHE 125 Ca 0.52 0.27 0.10 0.00 0.12 0.00 0.00 56.93 57.93 1ghu s PHE 125 Cb -0.11 -0.38 0.90 0.00 -0.57 0.00 0.00 43.02 42.87 1ghu s PHE 125 CO 0.45 -0.17 2.00 -2.95 -0.10 0.00 0.00 175.22 174.46 1ghu h ASN 126 N 8.07 0.47 -4.27 1.36 7.08 -1.88 -1.00 115.58 125.42 1ghu h ASN 126 Ca -0.23 0.00 -0.67 0.00 -3.08 0.00 0.00 56.30 52.32 1ghu h ASN 126 Cb 1.12 -0.10 -0.26 0.00 -2.08 0.00 0.00 38.32 37.00 1ghu h ASN 126 CO 0.25 0.31 -0.87 -0.44 -2.08 0.00 0.00 177.43 174.60 1ghu s SER 127 N -6.38 3.05 -0.84 6.14 0.01 -1.26 -4.70 113.70 109.72 1ghu s SER 127 Ca -0.08 -0.59 -0.21 0.00 1.31 0.00 0.00 55.95 56.37 1ghu s SER 127 Cb 0.19 -0.27 0.09 0.00 0.21 0.00 0.00 66.02 66.24 1ghu s SER 127 CO 0.75 0.23 1.14 -0.22 0.41 0.00 0.00 173.24 175.55 1ghu s LEU 128 N -1.30 4.39 0.00 2.44 2.96 -1.26 -2.69 118.68 123.22 1ghu s LEU 128 Ca 0.11 -1.44 0.00 0.00 -0.22 0.00 0.00 54.13 52.58 1ghu s LEU 128 Cb -0.10 -2.45 0.00 0.00 0.50 0.00 0.00 46.19 44.14 1ghu s LEU 128 CO 0.02 -1.34 0.00 -3.20 -1.32 0.00 0.00 176.35 170.51 1ghu n ASN 129 N 7.60 0.00 -0.23 3.68 5.15 -1.26 -4.94 115.26 125.26 1ghu n ASN 129 Ca 0.14 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.13 1ghu n ASN 129 Cb 0.48 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 39.86 1ghu n ASN 129 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1ghu h GLU 130 N 0.00 0.51 -0.03 1.20 4.81 -1.96 -2.31 114.58 116.79 1ghu h GLU 130 Ca 0.00 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1ghu h GLU 130 Cb 0.00 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 1ghu h GLU 130 CO 0.00 0.34 -0.25 1.25 -0.73 0.00 0.00 179.01 179.62 1ghu h LEU 131 N 0.52 -0.74 0.01 1.64 6.46 -1.86 -2.63 115.31 118.72 1ghu h LEU 131 Ca 0.34 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 58.20 1ghu h LEU 131 Cb 0.39 0.31 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1ghu h LEU 131 CO -0.29 -0.31 -0.00 1.62 -0.62 0.00 0.00 178.44 178.84 1ghu h VAL 132 N -0.37 1.32 -0.55 1.05 3.04 -1.86 -3.09 116.25 115.79 1ghu h VAL 132 Ca 0.07 -0.97 0.10 0.00 -1.01 0.00 0.00 66.70 64.89 1ghu h VAL 132 Cb 0.46 1.97 -0.03 0.00 -2.01 0.00 0.00 31.29 31.68 1ghu h VAL 132 CO -0.24 0.25 0.37 0.44 -1.01 0.00 0.00 177.57 177.38 1ghu h ASP 133 N -0.43 0.29 0.26 3.17 3.32 -1.53 -2.13 116.42 119.36 1ghu h ASP 133 Ca -0.00 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ghu h ASP 133 Cb 0.42 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1ghu h ASP 133 CO 0.00 0.17 -0.19 0.22 -1.72 0.00 0.00 179.24 177.72 1ghu h TYR 134 N 0.32 -0.51 0.00 4.55 3.20 -1.47 -3.19 116.97 119.87 1ghu h TYR 134 Ca 0.26 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1ghu h TYR 134 Cb 0.58 0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1ghu h TYR 134 CO -0.00 -0.30 0.00 0.72 -1.64 0.00 0.00 178.16 176.94 1ghu n HIS 135 N -5.32 0.00 0.12 -3.82 8.25 -0.92 -1.72 115.22 111.81 1ghu n HIS 135 Ca -0.09 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.40 1ghu n HIS 135 Cb 0.23 -0.48 0.41 0.00 1.12 0.00 0.00 29.99 31.28 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 0.24 0.03 -0.41 -0.00 -1.39 -3.33 114.38 109.52 1ghu h ARG 136 Ca 0.00 -0.05 -0.37 0.00 -0.50 0.00 0.00 59.98 59.06 1ghu h ARG 136 Cb 0.27 -0.04 -0.05 0.00 0.00 0.00 0.00 29.97 30.16 1ghu h ARG 136 CO 0.00 0.34 -2.13 0.43 0.00 0.00 0.00 179.97 178.62 1ghu n SER 137 N -4.31 1.98 -4.90 7.04 7.64 -1.14 -4.53 113.62 115.41 1ghu n SER 137 Ca -0.01 0.19 -0.28 0.00 1.01 0.00 0.00 58.87 59.78 1ghu n SER 137 Cb 0.24 -0.75 -0.03 0.00 -1.01 0.00 0.00 64.21 62.66 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 4.95 0.00 0.44 2.01 -0.70 -5.07 115.64 114.79 1ghu s THR 138 Ca -0.32 0.17 -0.23 0.00 0.31 0.00 0.00 61.69 61.62 1ghu s THR 138 Cb 0.09 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1ghu s THR 138 CO 0.61 -0.47 0.70 -0.55 -0.69 0.00 0.00 174.62 174.22 1ghu s SER 139 N -3.38 7.09 0.21 3.53 0.15 -1.26 -4.40 113.70 115.64 1ghu s SER 139 Ca 0.46 1.31 -0.03 0.00 0.70 0.00 0.00 55.95 58.39 1ghu s SER 139 Cb -0.10 -2.43 0.19 0.00 -1.71 0.00 0.00 66.02 61.97 1ghu s SER 139 CO 0.33 0.01 1.59 0.58 1.20 0.00 0.00 173.24 176.95 1ghu h VAL 140 N 4.28 1.29 -3.49 4.45 2.07 -1.86 -3.43 116.25 119.57 1ghu h VAL 140 Ca -0.44 -1.52 -0.53 0.00 0.82 0.00 0.00 66.70 65.04 1ghu h VAL 140 Cb 1.20 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1ghu h VAL 140 CO 0.72 0.49 0.39 -0.55 0.02 0.00 0.00 177.57 178.63 1ghu s SER 141 N -6.84 7.41 -0.08 0.57 0.15 -1.26 -4.97 113.70 108.68 1ghu s SER 141 Ca -0.08 1.79 -0.27 0.00 0.70 0.00 0.00 55.95 58.09 1ghu s SER 141 Cb 0.12 -2.58 -0.23 0.00 -1.71 0.00 0.00 66.02 61.62 1ghu s SER 141 CO 0.83 -0.17 1.00 -0.09 1.20 0.00 0.00 173.24 176.01 1ghu h ARG 142 N 6.03 -0.00 0.10 5.44 2.43 -2.00 -3.39 114.38 122.99 1ghu h ARG 142 Ca -0.42 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.74 1ghu h ARG 142 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1ghu h ARG 142 CO 0.74 0.74 -0.05 -0.91 -1.51 0.00 0.00 179.97 178.97 1ghu h ASN 143 N -0.76 -0.12 -4.32 -3.80 2.35 -1.98 -3.47 115.58 103.48 1ghu h ASN 143 Ca -0.00 -0.35 -0.50 0.00 -0.55 0.00 0.00 56.30 54.90 1ghu h ASN 143 Cb 0.74 0.03 0.05 0.00 0.05 0.00 0.00 38.32 39.19 1ghu h ASN 143 CO 0.00 0.50 0.41 -1.10 -1.65 0.00 0.00 177.43 175.59 1ghu s GLN 144 N -2.60 3.68 -0.77 0.81 -1.52 -1.26 -5.04 119.66 112.95 1ghu s GLN 144 Ca -0.10 0.79 -0.10 0.00 -1.95 0.00 0.00 55.36 54.00 1ghu s GLN 144 Cb -0.00 -2.09 0.20 0.00 -0.22 0.00 0.00 33.01 30.90 1ghu s GLN 144 CO 0.36 -0.50 0.67 -0.65 -0.25 0.00 0.00 175.29 174.92 1ghu s GLN 145 N -4.93 3.29 -0.04 2.91 -0.21 -1.26 -4.42 119.66 115.00 1ghu s GLN 145 Ca 0.56 -2.52 0.03 0.00 0.02 0.00 0.00 55.36 53.45 1ghu s GLN 145 Cb -0.11 -4.21 -0.03 0.00 1.00 0.00 0.00 33.01 29.67 1ghu s GLN 145 CO 0.49 -1.25 -0.12 0.42 -2.12 0.00 0.00 175.29 172.71 1ghu s ILE 146 N 0.03 3.28 0.06 1.08 -1.09 -1.26 -5.08 121.20 118.22 1ghu s ILE 146 Ca 0.18 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 57.90 1ghu s ILE 146 Cb -0.13 -2.33 -0.03 0.00 -1.58 0.00 0.00 42.46 38.39 1ghu s ILE 146 CO -0.07 0.55 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.77 1ghu s PHE 147 N -0.80 0.67 -0.18 3.97 0.08 -1.26 -3.48 117.98 116.97 1ghu s PHE 147 Ca 0.13 -0.78 -0.20 0.00 0.12 0.00 0.00 56.93 56.20 1ghu s PHE 147 Cb -0.11 -0.41 -0.03 0.00 -0.57 0.00 0.00 43.02 41.90 1ghu s PHE 147 CO 0.02 -0.19 0.57 -0.51 -0.10 0.00 0.00 175.22 175.02 1ghu s LEU 148 N -2.40 4.17 0.15 -0.37 1.02 -1.25 -4.24 118.68 115.75 1ghu s LEU 148 Ca 0.01 0.79 0.11 0.00 0.02 0.00 0.00 54.13 55.06 1ghu s LEU 148 Cb -0.00 -2.81 -0.04 0.00 0.02 0.00 0.00 46.19 43.35 1ghu s LEU 148 CO -0.04 -0.20 -0.23 -0.13 0.02 0.00 0.00 176.35 175.77 1ghu s ARG 149 N 1.61 1.55 0.39 1.70 0.52 -0.51 -4.78 118.95 119.43 1ghu s ARG 149 Ca 0.27 -1.38 -0.19 0.00 -0.52 0.00 0.00 55.73 53.91 1ghu s ARG 149 Cb -0.16 -1.94 -0.10 0.00 0.52 0.00 0.00 34.95 33.28 1ghu s ARG 149 CO 0.10 0.44 0.88 -0.51 0.02 0.00 0.00 175.30 176.23 1ghu s ASP 150 N -2.33 6.92 0.69 0.23 1.01 -1.26 -3.05 116.67 118.87 1ghu s ASP 150 Ca 0.18 1.57 -0.11 0.00 0.71 0.00 0.00 52.55 54.90 1ghu s ASP 150 Cb -0.09 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1ghu s ASP 150 CO 0.09 -0.29 1.06 0.27 0.21 0.00 0.00 175.17 176.51 1ghu s ILE 151 N -2.07 4.10 0.00 0.77 -5.25 -1.24 -4.75 121.20 112.76 1ghu s ILE 151 Ca 0.58 0.68 0.00 0.00 -0.99 0.00 0.00 60.65 60.93 1ghu s ILE 151 Cb -0.10 -3.47 0.00 0.00 2.95 0.00 0.00 42.46 41.83 1ghu s ILE 151 CO 0.15 -0.89 0.06 -0.62 -1.79 0.00 0.00 174.94 171.85