#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o1c s VAL 5 N 0.00 2.27 0.25 -0.18 1.01 -1.26 -4.96 120.40 117.54 2o1c s VAL 5 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 2o1c s VAL 5 Cb 0.00 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 2o1c s VAL 5 CO 0.00 -0.02 1.13 -0.31 0.00 0.00 0.00 175.10 175.90 2o1c s TYR 6 N -1.40 3.53 0.43 5.22 2.02 -1.26 -5.01 117.35 120.87 2o1c s TYR 6 Ca 0.74 1.62 -0.25 0.00 -0.37 0.00 0.00 57.07 58.81 2o1c s TYR 6 Cb -0.37 -3.33 -0.08 0.00 -0.40 0.00 0.00 41.96 37.78 2o1c s TYR 6 CO 0.42 -0.74 1.32 0.15 -1.57 0.00 0.00 175.55 175.13 2o1c s LYS 7 N -1.11 3.84 0.03 -0.62 1.02 -0.35 -5.00 119.74 117.54 2o1c s LYS 7 Ca 0.47 2.18 -0.18 0.00 0.02 0.00 0.00 55.97 58.46 2o1c s LYS 7 Cb -0.32 -2.67 -0.06 0.00 -0.52 0.00 0.00 37.83 34.26 2o1c s LYS 7 CO 0.40 -0.61 0.51 1.03 -0.92 0.00 0.00 175.35 175.76 2o1c s ARG 8 N -2.36 4.12 -0.09 1.68 1.81 -1.26 -4.47 118.95 118.37 2o1c s ARG 8 Ca 0.59 0.61 0.01 0.00 -1.72 0.00 0.00 55.73 55.22 2o1c s ARG 8 Cb -0.38 -3.25 0.12 0.00 -0.45 0.00 0.00 34.95 30.99 2o1c s ARG 8 CO 0.49 0.61 1.32 -0.35 -0.68 0.00 0.00 175.30 176.69 2o1c n PRO 9 N 1.95 1.26 -4.28 3.54 -0.04 -1.26 -4.56 135.00 131.61 2o1c n PRO 9 Ca -0.11 -0.59 -0.27 0.00 -0.04 0.00 0.00 63.50 62.48 2o1c n PRO 9 Cb 0.51 -1.23 -0.17 0.00 -0.04 0.00 0.00 33.50 32.57 2o1c n PRO 9 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2o1c s VAL 10 N -0.69 1.28 0.20 0.52 1.01 -1.26 -1.48 120.40 119.97 2o1c s VAL 10 Ca 0.11 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 2o1c s VAL 10 Cb 0.09 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 2o1c s VAL 10 CO 0.02 0.40 0.24 -0.94 0.00 0.00 0.00 175.10 174.82 2o1c s SER 11 N 1.17 0.08 0.20 3.32 1.04 0.66 -0.93 113.70 119.24 2o1c s SER 11 Ca -0.04 -1.17 0.11 0.00 0.48 0.00 0.00 55.95 55.32 2o1c s SER 11 Cb -0.14 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 2o1c s SER 11 CO -0.03 -0.92 -0.22 0.27 0.98 0.00 0.00 173.24 173.32 2o1c s ILE 12 N -4.08 2.21 -0.07 -1.02 -5.25 -0.07 -0.57 121.20 112.35 2o1c s ILE 12 Ca 0.30 -2.06 0.01 0.00 -0.99 0.00 0.00 60.65 57.91 2o1c s ILE 12 Cb 0.04 -2.07 0.02 0.00 2.95 0.00 0.00 42.46 43.40 2o1c s ILE 12 CO 0.09 -0.22 -0.08 -0.22 -1.79 0.00 0.00 174.94 172.72 2o1c s LEU 13 N -2.80 1.32 -0.33 0.37 2.96 -0.08 -2.67 118.68 117.46 2o1c s LEU 13 Ca 0.21 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2o1c s LEU 13 Cb -0.07 -0.69 0.07 0.00 0.50 0.00 0.00 46.19 46.00 2o1c s LEU 13 CO 0.10 -0.06 0.05 -0.69 -1.32 0.00 0.00 176.35 174.43 2o1c s VAL 14 N 1.16 2.93 -0.65 1.68 1.01 0.32 -0.73 120.40 126.12 2o1c s VAL 14 Ca -0.06 -1.67 -0.27 0.00 0.00 0.00 0.00 61.98 59.97 2o1c s VAL 14 Cb -0.14 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.44 2o1c s VAL 14 CO -0.02 -0.30 1.33 -0.69 0.00 0.00 0.00 175.10 175.43 2o1c s VAL 15 N 1.18 3.78 -0.10 2.92 1.01 -0.21 -2.50 120.40 126.47 2o1c s VAL 15 Ca -0.00 0.57 -0.21 0.00 0.00 0.00 0.00 61.98 62.33 2o1c s VAL 15 Cb -0.20 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.44 2o1c s VAL 15 CO -0.03 -1.51 0.61 -0.63 0.00 0.00 0.00 175.10 173.54 2o1c s ILE 16 N 5.88 5.10 0.10 2.22 1.01 -1.26 -1.07 121.20 133.18 2o1c s ILE 16 Ca 0.43 1.24 -0.06 0.00 0.00 0.00 0.00 60.65 62.26 2o1c s ILE 16 Cb -0.09 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 2o1c s ILE 16 CO 0.20 0.27 0.15 -0.72 0.00 0.00 0.00 174.94 174.83 2o1c s TYR 17 N 0.84 0.38 -0.14 3.97 1.13 -0.55 -1.43 117.35 121.55 2o1c s TYR 17 Ca 0.32 -0.81 -0.18 0.00 -1.41 0.00 0.00 57.07 55.00 2o1c s TYR 17 Cb -0.17 -0.18 -0.04 0.00 -1.10 0.00 0.00 41.96 40.47 2o1c s TYR 17 CO 0.14 -0.55 0.46 0.00 -2.51 0.00 0.00 175.55 173.10 2o1c s ALA 18 N -3.92 3.50 0.36 9.51 0.00 -0.08 -0.96 121.76 130.17 2o1c s ALA 18 Ca 0.11 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 51.84 2o1c s ALA 18 Cb 0.05 -2.66 0.70 0.00 0.00 0.00 0.00 23.12 21.22 2o1c s ALA 18 CO -0.07 -0.09 1.99 0.37 0.00 0.00 0.00 175.76 177.96 2o1c h GLN 19 N 6.89 0.76 0.15 0.00 5.75 0.34 0.23 115.11 129.23 2o1c h GLN 19 Ca -0.39 -0.05 -0.23 0.00 -0.15 0.00 0.00 58.65 57.83 2o1c h GLN 19 Cb 1.17 -0.17 0.02 0.00 1.07 0.00 0.00 27.48 29.57 2o1c h GLN 19 CO 0.75 0.51 -1.05 0.38 -2.65 0.00 0.00 178.83 176.77 2o1c h ASP 20 N 0.79 0.49 0.44 -0.69 2.03 -1.78 -3.37 116.42 114.33 2o1c h ASP 20 Ca 0.27 -0.92 -0.10 0.00 -0.73 0.00 0.00 57.03 55.55 2o1c h ASP 20 Cb 0.09 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 38.41 2o1c h ASP 20 CO -0.08 1.49 -1.64 0.35 -1.03 0.00 0.00 179.24 178.33 2o1c n THR 21 N -4.03 0.68 -1.55 1.15 -2.24 -1.23 -4.97 114.28 102.09 2o1c n THR 21 Ca -0.17 -0.62 -0.15 0.00 -2.27 0.00 0.00 64.05 60.84 2o1c n THR 21 Cb 0.87 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 68.69 2o1c n THR 21 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2o1c n LYS 22 N -2.61 -1.08 -2.58 -0.78 4.76 0.07 -5.02 118.16 110.92 2o1c n LYS 22 Ca -0.09 1.00 -0.35 0.00 -2.87 0.00 0.00 58.31 56.00 2o1c n LYS 22 Cb 0.72 -5.17 -0.04 0.00 -1.84 0.00 0.00 35.03 28.70 2o1c n LYS 22 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2o1c s ARG 23 N -3.48 4.00 -0.13 1.97 0.52 -1.26 -4.14 118.95 116.43 2o1c s ARG 23 Ca 0.00 1.39 -0.04 0.00 -0.52 0.00 0.00 55.73 56.55 2o1c s ARG 23 Cb 0.00 -2.29 -0.03 0.00 0.52 0.00 0.00 34.95 33.15 2o1c s ARG 23 CO 0.00 -0.26 0.02 0.08 0.02 0.00 0.00 175.30 175.16 2o1c s VAL 24 N -1.88 4.47 -0.23 3.52 1.01 0.21 -0.91 120.40 126.60 2o1c s VAL 24 Ca 0.63 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 62.15 2o1c s VAL 24 Cb -0.18 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.27 2o1c s VAL 24 CO 0.22 0.54 1.02 -0.22 0.00 0.00 0.00 175.10 176.65 2o1c s LEU 25 N -0.24 4.10 -0.04 3.92 2.96 -0.51 -1.33 118.68 127.54 2o1c s LEU 25 Ca 0.06 1.35 0.07 0.00 -0.22 0.00 0.00 54.13 55.39 2o1c s LEU 25 Cb -0.12 -3.50 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 2o1c s LEU 25 CO 0.02 -0.64 -0.25 -0.04 -1.32 0.00 0.00 176.35 174.12 2o1c s MET 26 N 3.11 2.36 -0.03 1.98 -1.94 0.11 -4.34 119.30 120.55 2o1c s MET 26 Ca 0.43 -0.89 0.06 0.00 -1.71 0.00 0.00 55.69 53.58 2o1c s MET 26 Cb -0.15 -2.08 -0.01 0.00 2.01 0.00 0.00 34.83 34.60 2o1c s MET 26 CO 0.07 0.43 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.78 2o1c s LEU 27 N -0.29 2.02 -0.33 -0.03 1.43 1.00 -0.79 118.68 121.68 2o1c s LEU 27 Ca 0.01 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.47 2o1c s LEU 27 Cb -0.12 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 44.96 2o1c s LEU 27 CO 0.02 0.23 0.74 -1.58 0.23 0.00 0.00 176.35 175.99 2o1c s GLN 28 N -0.29 3.84 0.61 1.70 0.74 -0.48 -0.43 119.66 125.35 2o1c s GLN 28 Ca 0.03 0.36 -0.18 0.00 0.05 0.00 0.00 55.36 55.62 2o1c s GLN 28 Cb -0.10 -3.77 -0.02 0.00 1.10 0.00 0.00 33.01 30.21 2o1c s GLN 28 CO 0.01 -0.73 1.18 1.03 -0.55 0.00 0.00 175.29 176.23 2o1c s ARG 29 N 2.91 2.90 0.16 1.67 0.52 -0.42 -0.42 118.95 126.27 2o1c s ARG 29 Ca 0.30 1.71 0.22 0.00 -0.52 0.00 0.00 55.73 57.44 2o1c s ARG 29 Cb -0.14 -1.93 -0.07 0.00 0.52 0.00 0.00 34.95 33.33 2o1c s ARG 29 CO 0.14 -1.23 0.93 2.89 0.02 0.00 0.00 175.30 178.05 2o1c n ARG 30 N -1.81 0.62 0.09 3.54 1.85 -1.26 -3.36 116.66 116.33 2o1c n ARG 30 Ca 0.13 0.06 -0.23 0.00 -1.00 0.00 0.00 57.85 56.81 2o1c n ARG 30 Cb 0.50 -1.77 -0.15 0.00 -1.05 0.00 0.00 32.46 29.99 2o1c n ARG 30 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 2o1c h ASP 31 N 0.00 0.65 -3.63 2.89 3.04 -1.93 -3.40 116.42 114.04 2o1c h ASP 31 Ca -0.00 -0.88 -0.62 0.00 -3.24 0.00 0.00 57.03 52.29 2o1c h ASP 31 Cb 1.01 -0.21 -0.40 0.00 -1.04 0.00 0.00 39.33 38.68 2o1c h ASP 31 CO 0.00 1.73 -0.72 -0.62 -2.04 0.00 0.00 179.24 177.59 2o1c s ASP 32 N -7.33 4.00 0.00 4.15 -1.08 -1.26 -4.99 116.67 110.16 2o1c s ASP 32 Ca -0.13 -2.44 0.01 0.00 -0.52 0.00 0.00 52.55 49.47 2o1c s ASP 32 Cb 0.05 -1.20 0.04 0.00 -1.46 0.00 0.00 42.92 40.36 2o1c s ASP 32 CO 0.88 -0.30 1.03 -2.65 0.52 0.00 0.00 175.17 174.64 2o1c n PRO 33 N 3.82 0.00 0.00 4.34 -0.02 -1.21 -0.74 135.00 141.18 2o1c n PRO 33 Ca 0.05 0.48 0.13 0.00 -2.02 0.00 0.00 63.50 62.14 2o1c n PRO 33 Cb 0.36 -1.50 0.37 0.00 -0.02 0.00 0.00 33.50 32.71 2o1c n PRO 33 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2o1c n ASP 34 N -1.50 0.72 -4.30 2.55 8.00 -1.26 -4.76 116.55 116.00 2o1c n ASP 34 Ca 0.00 -0.55 -0.45 0.00 0.71 0.00 0.00 54.79 54.50 2o1c n ASP 34 Cb 0.01 0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.18 2o1c n ASP 34 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2o1c s PHE 35 N -2.70 3.28 -0.02 1.24 2.19 0.08 -4.77 117.98 117.27 2o1c s PHE 35 Ca 0.19 -1.36 -0.09 0.00 0.33 0.00 0.00 56.93 56.01 2o1c s PHE 35 Cb 0.19 -3.70 -0.05 0.00 -1.31 0.00 0.00 43.02 38.15 2o1c s PHE 35 CO 0.58 -1.00 0.27 -1.58 1.83 0.00 0.00 175.22 175.32 2o1c s TRP 36 N 1.56 3.62 0.18 10.12 0.52 -1.26 -1.31 118.94 132.37 2o1c s TRP 36 Ca 0.04 0.66 -0.16 0.00 0.02 0.00 0.00 56.10 56.65 2o1c s TRP 36 Cb -0.29 -2.05 0.03 0.00 -1.15 0.00 0.00 33.47 30.01 2o1c s TRP 36 CO 0.03 0.65 0.47 1.14 0.02 0.00 0.00 176.95 179.25 2o1c s GLN 37 N -1.43 1.28 1.24 4.98 -2.07 0.43 -4.14 119.66 119.95 2o1c s GLN 37 Ca 0.24 -0.86 -0.21 0.00 -1.82 0.00 0.00 55.36 52.71 2o1c s GLN 37 Cb -0.14 0.49 0.31 0.00 -1.09 0.00 0.00 33.01 32.58 2o1c s GLN 37 CO 0.12 -0.53 1.12 -1.12 -1.32 0.00 0.00 175.29 173.57 2o1c s SER 38 N -2.87 0.61 0.17 12.60 0.01 -1.26 -0.00 113.70 122.96 2o1c s SER 38 Ca 0.09 0.50 -0.32 0.00 1.31 0.00 0.00 55.95 57.53 2o1c s SER 38 Cb 0.00 -0.63 -0.10 0.00 0.21 0.00 0.00 66.02 65.50 2o1c s SER 38 CO -0.05 -4.30 1.63 -0.69 0.41 0.00 0.00 173.24 170.25 2o1c s VAL 39 N -3.05 2.50 0.13 3.43 1.01 -1.04 -4.84 120.40 118.54 2o1c s VAL 39 Ca 0.72 0.32 0.02 0.00 0.00 0.00 0.00 61.98 63.04 2o1c s VAL 39 Cb -0.07 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2o1c s VAL 39 CO 0.56 0.02 -0.04 0.42 0.00 0.00 0.00 175.10 176.05 2o1c s THR 40 N 1.37 0.72 0.00 3.92 -4.23 -1.26 -0.52 115.64 115.64 2o1c s THR 40 Ca 0.72 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 2o1c s THR 40 Cb -0.45 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.54 2o1c s THR 40 CO 0.32 -0.72 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 2o1c n GLY 41 N -0.12 0.59 3.79 3.99 0.00 -1.09 -4.99 105.19 107.35 2o1c n GLY 41 Ca -0.10 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 2o1c n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2o1c s SER 42 N 0.00 6.70 -0.38 1.61 0.01 -1.26 -0.89 113.70 119.49 2o1c s SER 42 Ca 0.00 1.95 -0.24 0.00 1.31 0.00 0.00 55.95 58.98 2o1c s SER 42 Cb 0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.67 2o1c s SER 42 CO 0.00 -0.53 0.80 -0.69 0.41 0.00 0.00 173.24 173.23 2o1c s VAL 43 N -1.81 4.70 0.63 3.43 1.01 -0.11 -4.82 120.40 123.43 2o1c s VAL 43 Ca 0.60 0.87 -0.11 0.00 0.00 0.00 0.00 61.98 63.34 2o1c s VAL 43 Cb -0.19 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 2o1c s VAL 43 CO 0.23 -0.49 1.03 -1.61 0.00 0.00 0.00 175.10 174.27 2o1c s GLU 44 N 3.18 3.49 0.23 2.72 0.41 -1.26 -4.85 118.70 122.62 2o1c s GLU 44 Ca 0.32 0.69 -0.31 0.00 -0.41 0.00 0.00 54.97 55.26 2o1c s GLU 44 Cb -0.13 -2.08 -0.13 0.00 -1.78 0.00 0.00 34.13 30.01 2o1c s GLU 44 CO 0.18 -0.63 1.43 0.39 -0.49 0.00 0.00 175.26 176.14 2o1c n GLU 45 N -2.78 2.07 -0.71 1.61 1.02 -1.26 -1.72 120.64 118.88 2o1c n GLU 45 Ca 0.06 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 2o1c n GLU 45 Cb 0.55 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 2o1c n GLU 45 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2o1c n GLY 46 N 2.28 0.78 3.51 0.62 0.00 -1.26 -5.04 105.19 106.08 2o1c n GLY 46 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 2o1c n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2o1c s GLU 47 N -0.29 2.67 0.64 1.61 2.02 -0.70 -5.11 118.70 119.53 2o1c s GLU 47 Ca 0.00 -0.64 -0.08 0.00 0.02 0.00 0.00 54.97 54.27 2o1c s GLU 47 Cb 0.00 -2.48 0.01 0.00 0.10 0.00 0.00 34.13 31.76 2o1c s GLU 47 CO 0.00 0.61 0.98 0.95 0.02 0.00 0.00 175.26 177.82 2o1c s THR 48 N -0.67 3.64 0.14 3.63 -4.23 -1.26 -4.71 115.64 112.17 2o1c s THR 48 Ca 0.10 0.23 -0.19 0.00 -1.18 0.00 0.00 61.69 60.65 2o1c s THR 48 Cb -0.11 -3.48 -0.02 0.00 1.34 0.00 0.00 72.50 70.22 2o1c s THR 48 CO 0.01 -0.56 1.74 0.00 -0.54 0.00 0.00 174.62 175.27 2o1c h ALA 49 N -0.37 0.26 -0.88 3.99 0.00 -1.98 0.29 119.26 120.57 2o1c h ALA 49 Ca -0.45 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.55 2o1c h ALA 49 Cb 1.25 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 2o1c h ALA 49 CO 0.62 -0.36 0.56 -1.35 0.00 0.00 0.00 179.25 178.72 2o1c h PRO 50 N 0.16 1.01 -0.76 0.00 0.11 -1.99 0.84 132.00 131.37 2o1c h PRO 50 Ca 0.11 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.18 2o1c h PRO 50 Cb 0.11 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 30.95 2o1c h PRO 50 CO -0.14 0.67 0.49 1.96 -0.21 0.00 0.00 178.00 180.77 2o1c h GLN 51 N 1.04 0.95 -0.33 1.05 4.20 -1.82 -1.29 115.11 118.91 2o1c h GLN 51 Ca 0.37 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.98 2o1c h GLN 51 Cb 0.12 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2o1c h GLN 51 CO -0.15 0.63 0.01 0.00 -0.67 0.00 0.00 178.83 178.65 2o1c h ALA 52 N 1.30 0.44 -0.38 3.87 0.00 -0.35 -1.92 119.26 122.23 2o1c h ALA 52 Ca 0.29 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2o1c h ALA 52 Cb -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2o1c h ALA 52 CO -0.09 0.18 0.22 0.00 0.00 0.00 0.00 179.25 179.57 2o1c h ALA 53 N 0.86 0.48 -0.55 0.00 0.00 -0.66 0.48 119.26 119.87 2o1c h ALA 53 Ca 0.10 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2o1c h ALA 53 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2o1c h ALA 53 CO 0.01 -0.12 0.12 0.52 0.00 0.00 0.00 179.25 179.78 2o1c h MET 54 N 0.45 0.90 -0.37 0.00 2.07 -1.22 -1.41 114.93 115.35 2o1c h MET 54 Ca 0.15 -0.22 -0.00 0.00 -2.07 0.00 0.00 59.70 57.56 2o1c h MET 54 Cb 0.01 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.61 2o1c h MET 54 CO -0.07 0.85 0.22 -0.09 1.07 0.00 0.00 176.91 178.89 2o1c h ARG 55 N 0.79 0.50 -0.46 1.72 2.43 -1.03 -1.99 114.38 116.34 2o1c h ARG 55 Ca 0.17 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 2o1c h ARG 55 Cb 0.37 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2o1c h ARG 55 CO 0.00 0.37 -0.04 0.93 -1.51 0.00 0.00 179.97 179.73 2o1c h GLU 56 N 0.48 0.78 -0.45 0.20 4.39 -0.80 0.53 114.58 119.71 2o1c h GLU 56 Ca 0.13 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2o1c h GLU 56 Cb 0.00 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2o1c h GLU 56 CO -0.02 0.82 0.26 0.28 -1.16 0.00 0.00 179.01 179.18 2o1c h VAL 57 N 0.72 1.15 -0.34 3.13 2.07 -1.16 0.95 116.25 122.78 2o1c h VAL 57 Ca 0.14 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 2o1c h VAL 57 Cb 0.50 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2o1c h VAL 57 CO 0.03 0.16 0.06 0.50 0.02 0.00 0.00 177.57 178.33 2o1c h LYS 58 N 0.60 0.56 -0.22 1.57 3.64 -1.02 -2.47 116.57 119.22 2o1c h LYS 58 Ca 0.16 -0.15 -0.19 0.00 -1.27 0.00 0.00 60.65 59.21 2o1c h LYS 58 Cb 0.02 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2o1c h LYS 58 CO -0.03 0.63 -0.59 0.93 -2.27 0.00 0.00 179.45 178.12 2o1c h GLU 59 N 0.40 0.80 0.05 1.90 5.08 -0.83 -1.87 114.58 120.11 2o1c h GLU 59 Ca 0.10 -0.56 -0.29 0.00 -1.00 0.00 0.00 59.36 57.61 2o1c h GLU 59 Cb 0.34 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2o1c h GLU 59 CO 0.01 1.18 -1.60 0.93 -1.00 0.00 0.00 179.01 178.53 2o1c h GLU 60 N 0.54 0.11 0.00 2.33 5.08 -0.87 -3.41 114.58 118.37 2o1c h GLU 60 Ca -0.01 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2o1c h GLU 60 Cb 1.21 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2o1c h GLU 60 CO 0.13 0.85 0.00 1.33 -1.00 0.00 0.00 179.01 180.31 2o1c n VAL 61 N -3.27 0.37 -3.36 3.13 0.24 -0.95 -3.34 118.33 111.15 2o1c n VAL 61 Ca -0.17 -0.41 -0.24 0.00 -2.04 0.00 0.00 64.34 61.48 2o1c n VAL 61 Cb 1.03 0.90 0.03 0.00 -1.47 0.00 0.00 33.84 34.33 2o1c n VAL 61 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2o1c n THR 62 N -0.19 -1.80 -3.75 3.34 -1.04 -0.70 -4.13 114.28 106.01 2o1c n THR 62 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 2o1c n THR 62 Cb 0.35 -2.89 -0.12 0.00 -1.82 0.00 0.00 70.33 65.84 2o1c n THR 62 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2o1c s ILE 63 N -3.14 4.25 -0.69 12.58 1.01 -1.19 -4.96 121.20 129.06 2o1c s ILE 63 Ca 0.44 -0.30 -0.20 0.00 0.00 0.00 0.00 60.65 60.59 2o1c s ILE 63 Cb -0.21 -3.04 0.10 0.00 0.01 0.00 0.00 42.46 39.32 2o1c s ILE 63 CO 0.54 0.27 0.89 -0.62 0.00 0.00 0.00 174.94 176.02 2o1c s ASP 64 N 1.59 6.28 0.13 3.58 -1.08 -1.26 -2.92 116.67 122.99 2o1c s ASP 64 Ca 0.06 -1.42 -0.18 0.00 -0.52 0.00 0.00 52.55 50.48 2o1c s ASP 64 Cb -0.16 -2.36 -0.03 0.00 -1.46 0.00 0.00 42.92 38.91 2o1c s ASP 64 CO 0.03 -1.22 1.78 0.58 0.52 0.00 0.00 175.17 176.86 2o1c h VAL 65 N 5.88 1.02 -0.17 1.11 2.07 -1.93 0.87 116.25 125.11 2o1c h VAL 65 Ca -0.19 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2o1c h VAL 65 Cb 1.07 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2o1c h VAL 65 CO 1.12 0.05 0.02 0.58 0.02 0.00 0.00 177.57 179.37 2o1c h VAL 66 N 0.30 1.23 -0.60 2.57 2.07 -1.92 0.87 116.25 120.77 2o1c h VAL 66 Ca 0.10 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 2o1c h VAL 66 Cb 0.00 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2o1c h VAL 66 CO -0.05 0.23 0.31 0.00 0.02 0.00 0.00 177.57 178.07 2o1c h ALA 67 N 0.80 1.42 -0.00 1.67 0.00 -1.89 -1.26 119.26 120.00 2o1c h ALA 67 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2o1c h ALA 67 Cb 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2o1c h ALA 67 CO 0.00 0.47 -0.06 0.39 0.00 0.00 0.00 179.25 180.05 2o1c n GLU 68 N -4.37 0.88 -3.86 0.00 1.02 0.27 -4.94 120.64 109.64 2o1c n GLU 68 Ca 0.05 -0.26 -0.29 0.00 -0.02 0.00 0.00 57.16 56.65 2o1c n GLU 68 Cb 0.11 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.07 2o1c n GLU 68 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2o1c n GLN 69 N -0.83 -5.79 -2.37 3.49 7.27 -0.46 -5.01 117.38 113.68 2o1c n GLN 69 Ca 0.17 0.63 -0.24 0.00 0.07 0.00 0.00 57.00 57.63 2o1c n GLN 69 Cb 0.25 -5.52 0.05 0.00 2.41 0.00 0.00 30.24 27.43 2o1c n GLN 69 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2o1c s LEU 70 N -7.24 3.01 -0.28 1.69 1.43 0.18 -5.03 118.68 112.44 2o1c s LEU 70 Ca 0.60 0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 54.05 2o1c s LEU 70 Cb -0.30 -3.09 0.05 0.00 0.03 0.00 0.00 46.19 42.88 2o1c s LEU 70 CO 0.82 -1.38 -0.04 0.42 0.23 0.00 0.00 176.35 176.39 2o1c s THR 71 N -3.06 2.75 -0.32 5.49 -4.23 -1.26 -4.68 115.64 110.32 2o1c s THR 71 Ca 0.58 -1.38 -0.29 0.00 -1.18 0.00 0.00 61.69 59.42 2o1c s THR 71 Cb -0.11 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.19 2o1c s THR 71 CO 0.43 -0.03 1.23 -0.22 -0.54 0.00 0.00 174.62 175.49 2o1c s LEU 72 N 1.23 3.86 -0.18 4.79 2.96 -1.26 -4.48 118.68 125.60 2o1c s LEU 72 Ca -0.05 1.09 -0.17 0.00 -0.22 0.00 0.00 54.13 54.78 2o1c s LEU 72 Cb -0.19 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 2o1c s LEU 72 CO -0.03 -1.05 0.45 -0.63 -1.32 0.00 0.00 176.35 173.77 2o1c s ILE 73 N 4.22 5.17 -0.37 6.68 1.01 0.29 -4.96 121.20 133.25 2o1c s ILE 73 Ca 0.53 0.83 -0.26 0.00 0.00 0.00 0.00 60.65 61.75 2o1c s ILE 73 Cb -0.15 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.56 2o1c s ILE 73 CO 0.22 0.24 0.92 -0.62 0.00 0.00 0.00 174.94 175.70 2o1c s ASP 74 N 0.99 6.67 0.00 3.58 -1.08 -1.26 -0.97 116.67 124.59 2o1c s ASP 74 Ca 0.22 0.56 0.21 0.00 -0.52 0.00 0.00 52.55 53.02 2o1c s ASP 74 Cb -0.15 -2.46 0.96 0.00 -1.46 0.00 0.00 42.92 39.81 2o1c s ASP 74 CO 0.09 -0.86 1.67 0.00 0.52 0.00 0.00 175.17 176.59 2o1c n GLN 76 N -1.41 -4.18 -3.86 0.00 6.02 -1.26 -4.99 117.38 107.70 2o1c n GLN 76 Ca 0.07 0.51 -0.17 0.00 -0.01 0.00 0.00 57.00 57.40 2o1c n GLN 76 Cb 0.21 -4.94 -0.16 0.00 1.02 0.00 0.00 30.24 26.37 2o1c n GLN 76 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2o1c s ARG 77 N -6.37 0.18 -0.06 -1.09 1.81 -1.26 -5.06 118.95 107.10 2o1c s ARG 77 Ca 0.14 0.13 0.02 0.00 -1.72 0.00 0.00 55.73 54.29 2o1c s ARG 77 Cb -0.07 -0.41 0.02 0.00 -0.45 0.00 0.00 34.95 34.03 2o1c s ARG 77 CO 0.86 -0.16 -0.09 0.99 -0.68 0.00 0.00 175.30 176.22 2o1c s THR 78 N 1.10 0.88 0.27 0.02 2.01 -1.26 -1.14 115.64 117.51 2o1c s THR 78 Ca -0.09 -0.32 0.07 0.00 0.31 0.00 0.00 61.69 61.66 2o1c s THR 78 Cb -0.13 -0.84 -0.06 0.00 0.01 0.00 0.00 72.50 71.48 2o1c s THR 78 CO -0.02 0.30 -0.08 0.68 -0.69 0.00 0.00 174.62 174.81 2o1c s VAL 79 N 0.79 1.70 -0.04 3.82 -7.23 -0.46 -4.96 120.40 114.02 2o1c s VAL 79 Ca -0.13 -2.15 0.04 0.00 -1.81 0.00 0.00 61.98 57.93 2o1c s VAL 79 Cb -0.15 -2.40 -0.00 0.00 0.56 0.00 0.00 36.38 34.39 2o1c s VAL 79 CO 0.02 -0.34 -0.15 -0.70 -0.31 0.00 0.00 175.10 173.62 2o1c s GLU 80 N -3.71 1.57 0.07 4.82 2.12 -1.26 -0.49 118.70 121.82 2o1c s GLU 80 Ca 0.29 -0.53 -0.01 0.00 0.36 0.00 0.00 54.97 55.08 2o1c s GLU 80 Cb 0.03 -1.38 -0.04 0.00 0.26 0.00 0.00 34.13 33.00 2o1c s GLU 80 CO 0.11 0.21 -0.03 -0.59 -0.54 0.00 0.00 175.26 174.43 2o1c s PHE 81 N 0.08 0.62 0.02 5.30 -0.12 -0.21 -4.97 117.98 118.70 2o1c s PHE 81 Ca -0.04 -1.06 -0.30 0.00 -0.05 0.00 0.00 56.93 55.48 2o1c s PHE 81 Cb -0.11 -0.42 -0.06 0.00 -0.63 0.00 0.00 43.02 41.80 2o1c s PHE 81 CO 0.02 -0.35 1.36 -2.00 -0.05 0.00 0.00 175.22 174.19 2o1c s GLU 82 N -3.92 4.31 0.19 1.99 2.56 -1.26 -0.73 118.70 121.84 2o1c s GLU 82 Ca 0.09 1.93 -0.31 0.00 0.00 0.00 0.00 54.97 56.68 2o1c s GLU 82 Cb 0.07 -3.51 -0.10 0.00 2.00 0.00 0.00 34.13 32.60 2o1c s GLU 82 CO -0.08 -0.51 1.55 0.42 -0.56 0.00 0.00 175.26 176.08 2o1c s ILE 83 N 2.07 2.58 0.14 -3.70 1.01 0.37 -4.91 121.20 118.76 2o1c s ILE 83 Ca 0.63 0.43 -0.35 0.00 0.00 0.00 0.00 60.65 61.36 2o1c s ILE 83 Cb -0.31 -3.27 -0.16 0.00 0.01 0.00 0.00 42.46 38.72 2o1c s ILE 83 CO 0.27 0.04 1.28 0.49 0.00 0.00 0.00 174.94 177.01 2o1c n PHE 84 N 3.60 1.48 -0.29 3.97 3.72 -1.26 -4.80 117.46 123.88 2o1c n PHE 84 Ca 0.12 0.63 0.07 0.00 -0.05 0.00 0.00 57.45 58.22 2o1c n PHE 84 Cb 0.39 -2.32 0.22 0.00 -0.94 0.00 0.00 39.48 36.82 2o1c n PHE 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2o1c h SER 85 N 4.08 0.53 0.43 4.37 4.64 -1.99 -0.63 113.55 124.97 2o1c h SER 85 Ca -0.45 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2o1c h SER 85 Cb 1.33 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2o1c h SER 85 CO 0.75 0.22 0.00 0.00 -0.87 0.00 0.00 176.83 176.93 2o1c n HIS 86 N -4.87 0.00 0.21 4.77 1.44 -1.26 -2.99 115.22 112.52 2o1c n HIS 86 Ca 0.17 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.90 2o1c n HIS 86 Cb 0.43 -0.31 0.01 0.00 0.12 0.00 0.00 29.99 30.24 2o1c n HIS 86 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2o1c n LEU 87 N -1.31 1.18 0.12 2.39 4.32 -0.30 -4.79 117.00 118.61 2o1c n LEU 87 Ca 0.09 -0.90 -0.03 0.00 -0.02 0.00 0.00 56.01 55.16 2o1c n LEU 87 Cb 0.17 0.00 0.09 0.00 -1.62 0.00 0.00 43.42 42.07 2o1c n LEU 87 CO 0.16 0.25 0.40 -0.09 -1.22 0.00 0.00 177.39 176.90 2o1c h ARG 88 N 0.79 0.00 0.00 3.23 2.43 -1.31 -3.10 114.38 116.42 2o1c h ARG 88 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2o1c h ARG 88 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2o1c h ARG 88 CO 0.00 0.71 0.00 -2.39 -1.51 0.00 0.00 179.97 176.78 2o1c n HIS 89 N -3.65 0.00 1.61 2.20 1.44 -1.26 -1.54 115.22 114.01 2o1c n HIS 89 Ca -0.01 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.85 2o1c n HIS 89 Cb 0.71 -0.09 0.65 0.00 0.12 0.00 0.00 29.99 31.38 2o1c n HIS 89 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2o1c n ARG 90 N -1.09 1.29 -4.28 -1.40 5.12 -1.17 -4.83 116.66 110.30 2o1c n ARG 90 Ca 0.13 -0.56 -0.23 0.00 -1.93 0.00 0.00 57.85 55.25 2o1c n ARG 90 Cb 0.09 -1.49 -0.07 0.00 -1.16 0.00 0.00 32.46 29.83 2o1c n ARG 90 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2o1c s TYR 91 N -2.09 2.72 0.66 -1.55 1.51 -0.59 -1.21 117.35 116.79 2o1c s TYR 91 Ca 0.39 -0.21 -0.17 0.00 -1.01 0.00 0.00 57.07 56.07 2o1c s TYR 91 Cb 0.21 -1.22 -0.02 0.00 -0.11 0.00 0.00 41.96 40.82 2o1c s TYR 91 CO 0.37 0.60 0.95 0.00 -1.11 0.00 0.00 175.55 176.37 2o1c n ALA 92 N -0.80 -0.07 -1.62 3.71 0.00 -1.26 -4.82 120.51 115.65 2o1c n ALA 92 Ca -0.07 -0.09 -0.48 0.00 0.00 0.00 0.00 53.44 52.79 2o1c n ALA 92 Cb 0.58 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.89 2o1c n ALA 92 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2o1c n PRO 93 N -1.40 1.59 0.00 0.00 -0.02 -1.26 -1.51 135.00 132.40 2o1c n PRO 93 Ca 0.13 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2o1c n PRO 93 Cb 0.49 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2o1c n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o1c n GLY 94 N 2.54 1.90 3.67 -1.23 0.00 -1.26 -5.03 105.19 105.78 2o1c n GLY 94 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2o1c n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o1c s VAL 95 N -2.33 4.69 0.00 1.61 1.01 -0.57 -4.85 120.40 119.96 2o1c s VAL 95 Ca 0.00 2.00 0.00 0.00 0.00 0.00 0.00 61.98 63.98 2o1c s VAL 95 Cb 0.00 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2o1c s VAL 95 CO 0.00 -0.09 0.00 0.35 0.00 0.00 0.00 175.10 175.36 2o1c n THR 96 N 4.96 0.00 -4.14 3.92 -2.24 -1.26 -4.88 114.28 110.64 2o1c n THR 96 Ca 0.11 -0.02 -0.35 0.00 -2.27 0.00 0.00 64.05 61.52 2o1c n THR 96 Cb 0.47 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.88 2o1c n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2o1c s ARG 97 N -0.80 3.71 -0.08 -0.78 1.81 -1.26 -0.48 118.95 121.06 2o1c s ARG 97 Ca 0.00 -0.37 0.02 0.00 -1.72 0.00 0.00 55.73 53.66 2o1c s ARG 97 Cb 0.00 -3.08 -0.02 0.00 -0.45 0.00 0.00 34.95 31.40 2o1c s ARG 97 CO 0.00 0.38 -0.14 1.21 -0.68 0.00 0.00 175.30 176.07 2o1c s ASN 98 N 0.04 3.99 -0.18 0.23 2.47 0.10 -4.84 114.94 116.75 2o1c s ASN 98 Ca 0.04 -0.26 -0.05 0.00 0.42 0.00 0.00 52.86 53.01 2o1c s ASN 98 Cb -0.12 -1.17 -0.03 0.00 -1.45 0.00 0.00 41.25 38.48 2o1c s ASN 98 CO 0.01 0.27 0.00 -0.89 -3.72 0.00 0.00 177.10 172.77 2o1c s THR 99 N -0.27 4.10 -0.10 -5.21 2.01 -0.55 -1.05 115.64 114.57 2o1c s THR 99 Ca 0.02 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.77 2o1c s THR 99 Cb -0.13 -2.84 0.01 0.00 0.01 0.00 0.00 72.50 69.56 2o1c s THR 99 CO 0.03 0.45 -0.17 -0.70 -0.69 0.00 0.00 174.62 173.54 2o1c s GLU 100 N 0.71 2.29 -0.01 4.92 2.12 0.36 -0.25 118.70 128.84 2o1c s GLU 100 Ca 0.00 -0.60 -0.09 0.00 0.36 0.00 0.00 54.97 54.64 2o1c s GLU 100 Cb -0.14 -1.87 -0.05 0.00 0.26 0.00 0.00 34.13 32.33 2o1c s GLU 100 CO 0.02 0.01 0.29 -1.12 -0.54 0.00 0.00 175.26 173.92 2o1c s SER 101 N 0.77 6.58 -0.11 -1.70 0.01 0.26 -1.35 113.70 118.16 2o1c s SER 101 Ca -0.11 0.68 -0.06 0.00 1.31 0.00 0.00 55.95 57.77 2o1c s SER 101 Cb -0.16 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 2o1c s SER 101 CO 0.02 0.30 0.10 0.26 0.41 0.00 0.00 173.24 174.33 2o1c s TRP 102 N -1.19 3.47 0.04 2.43 0.51 -0.30 -0.90 118.94 123.01 2o1c s TRP 102 Ca 0.24 0.43 -0.00 0.00 -2.12 0.00 0.00 56.10 54.65 2o1c s TRP 102 Cb -0.14 -1.90 -0.03 0.00 -0.81 0.00 0.00 33.47 30.59 2o1c s TRP 102 CO 0.13 0.66 -0.04 -0.06 -0.51 0.00 0.00 176.95 177.13 2o1c s PHE 103 N -0.97 0.48 0.16 -1.98 0.40 0.09 -1.60 117.98 114.57 2o1c s PHE 103 Ca 0.14 -0.84 0.07 0.00 -0.60 0.00 0.00 56.93 55.70 2o1c s PHE 103 Cb -0.12 -0.34 -0.04 0.00 0.51 0.00 0.00 43.02 43.03 2o1c s PHE 103 CO 0.03 -0.28 -0.14 0.00 0.70 0.00 0.00 175.22 175.53 2o1c s LEU 105 N -2.95 -0.23 -0.30 0.00 2.96 -0.23 -0.54 118.68 117.38 2o1c s LEU 105 Ca 0.17 0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 54.04 2o1c s LEU 105 Cb -0.02 0.57 -0.03 0.00 0.50 0.00 0.00 46.19 47.21 2o1c s LEU 105 CO 0.05 -0.29 0.34 0.00 -1.32 0.00 0.00 176.35 175.13 2o1c s ALA 106 N 2.38 3.53 0.26 5.97 0.00 -1.26 -1.48 121.76 131.16 2o1c s ALA 106 Ca 0.06 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 2o1c s ALA 106 Cb -0.14 -2.73 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 2o1c s ALA 106 CO -0.11 -0.82 0.67 -0.51 0.00 0.00 0.00 175.76 174.98 2o1c s LEU 107 N 2.01 4.18 0.37 0.00 1.43 -0.13 -4.79 118.68 121.75 2o1c s LEU 107 Ca 0.13 1.20 0.06 0.00 -1.03 0.00 0.00 54.13 54.48 2o1c s LEU 107 Cb -0.16 -3.79 0.73 0.00 0.03 0.00 0.00 46.19 43.00 2o1c s LEU 107 CO 0.11 -0.09 1.97 1.55 0.23 0.00 0.00 176.35 180.12 2o1c h PRO 108 N 2.72 0.55 -4.00 1.29 0.13 -1.95 0.72 132.00 131.46 2o1c h PRO 108 Ca -0.48 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 64.47 2o1c h PRO 108 Cb 1.18 -0.11 -0.14 0.00 0.13 0.00 0.00 31.00 32.07 2o1c h PRO 108 CO 0.66 0.46 -0.42 -1.01 -0.23 0.00 0.00 178.00 177.46 2o1c s HIS 109 N -5.27 0.44 0.66 1.56 3.76 -1.26 -3.41 115.29 111.77 2o1c s HIS 109 Ca -0.08 -0.84 -0.17 0.00 -0.15 0.00 0.00 55.06 53.83 2o1c s HIS 109 Cb 0.17 -0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.69 2o1c s HIS 109 CO 0.75 -0.61 1.19 -1.21 -0.85 0.00 0.00 174.74 174.01 2o1c s GLU 110 N -3.96 2.61 0.11 1.40 2.02 -1.26 -4.83 118.70 114.79 2o1c s GLU 110 Ca 0.15 1.73 -0.12 0.00 0.02 0.00 0.00 54.97 56.75 2o1c s GLU 110 Cb 0.05 -1.89 0.02 0.00 0.10 0.00 0.00 34.13 32.40 2o1c s GLU 110 CO -0.03 -1.47 0.30 -0.98 0.02 0.00 0.00 175.26 173.10 2o1c s ARG 111 N -3.69 0.96 0.24 1.61 1.70 -1.26 -5.13 118.95 113.38 2o1c s ARG 111 Ca 0.75 -0.82 -0.31 0.00 -0.47 0.00 0.00 55.73 54.87 2o1c s ARG 111 Cb -0.28 0.41 -0.11 0.00 -0.57 0.00 0.00 34.95 34.39 2o1c s ARG 111 CO 0.39 -0.34 1.65 -1.14 -1.08 0.00 0.00 175.30 174.78 2o1c s GLN 112 N -3.81 4.13 -0.16 3.89 2.00 -1.26 -4.99 119.66 119.47 2o1c s GLN 112 Ca 0.04 2.57 -0.04 0.00 -2.00 0.00 0.00 55.36 55.93 2o1c s GLN 112 Cb 0.03 -3.06 -0.03 0.00 0.80 0.00 0.00 33.01 30.76 2o1c s GLN 112 CO -0.11 -0.69 -0.04 0.42 -0.50 0.00 0.00 175.29 174.37 2o1c s ILE 113 N 0.67 3.82 -0.58 -2.34 -1.09 -1.26 -5.05 121.20 115.36 2o1c s ILE 113 Ca 0.69 -0.38 -0.20 0.00 -2.23 0.00 0.00 60.65 58.53 2o1c s ILE 113 Cb -0.48 -2.68 0.08 0.00 -1.58 0.00 0.00 42.46 37.81 2o1c s ILE 113 CO 0.39 0.49 0.75 -0.69 -1.23 0.00 0.00 174.94 174.64 2o1c s VAL 114 N 0.47 4.72 -0.01 2.92 1.01 -1.26 -5.04 120.40 123.21 2o1c s VAL 114 Ca -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2o1c s VAL 114 Cb -0.14 -4.49 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 2o1c s VAL 114 CO 0.03 -1.12 0.02 0.72 0.00 0.00 0.00 175.10 174.75 2o1c s PHE 115 N 2.99 3.14 0.00 5.22 -0.71 -1.26 -3.41 117.98 123.95 2o1c s PHE 115 Ca 0.15 0.13 0.00 0.00 -1.04 0.00 0.00 56.93 56.17 2o1c s PHE 115 Cb -0.21 -1.70 0.00 0.00 -1.21 0.00 0.00 43.02 39.89 2o1c s PHE 115 CO 0.09 0.49 0.12 -2.37 -1.34 0.00 0.00 175.22 172.20 2o1c n THR 116 N 1.43 0.00 -0.60 -4.49 5.66 -1.21 -4.80 114.28 110.27 2o1c n THR 116 Ca -0.15 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 2o1c n THR 116 Cb 0.53 1.32 0.00 0.00 -1.55 0.00 0.00 70.33 70.63 2o1c n THR 116 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2o1c n GLU 117 N -0.19 -0.11 -4.60 1.09 1.02 -1.26 -5.07 120.64 111.52 2o1c n GLU 117 Ca 0.00 -0.16 -0.28 0.00 -0.02 0.00 0.00 57.16 56.70 2o1c n GLU 117 Cb 0.08 -0.63 -0.10 0.00 -0.02 0.00 0.00 31.44 30.76 2o1c n GLU 117 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2o1c s HIS 118 N -0.03 2.46 -0.14 -0.32 3.76 -1.26 -4.41 115.29 115.34 2o1c s HIS 118 Ca 0.00 -0.69 0.18 0.00 -0.15 0.00 0.00 55.06 54.40 2o1c s HIS 118 Cb 0.00 -1.78 -0.12 0.00 1.11 0.00 0.00 32.58 31.79 2o1c s HIS 118 CO 0.00 0.41 0.83 1.28 -0.85 0.00 0.00 174.74 176.41 2o1c n LEU 119 N -1.02 0.80 -3.61 0.89 4.77 0.44 -4.94 117.00 114.33 2o1c n LEU 119 Ca -0.06 0.34 -0.04 0.00 -0.03 0.00 0.00 56.01 56.22 2o1c n LEU 119 Cb 0.67 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.80 2o1c n LEU 119 CO 0.48 0.08 0.84 0.00 -1.33 0.00 0.00 177.39 177.46 2o1c s ALA 120 N -3.03 -1.91 0.06 -1.18 0.00 -1.26 -4.99 121.76 109.45 2o1c s ALA 120 Ca -0.03 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2o1c s ALA 120 Cb 0.09 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 2o1c s ALA 120 CO 0.81 -0.84 -0.05 1.52 0.00 0.00 0.00 175.76 177.21 2o1c s TYR 121 N -2.88 0.62 -0.01 0.00 1.13 -1.26 -1.39 117.35 113.57 2o1c s TYR 121 Ca 0.10 -0.88 -0.02 0.00 -1.41 0.00 0.00 57.07 54.85 2o1c s TYR 121 Cb 0.00 -0.40 -0.00 0.00 -1.10 0.00 0.00 41.96 40.45 2o1c s TYR 121 CO -0.04 -0.25 0.04 0.15 -2.51 0.00 0.00 175.55 172.94 2o1c s LYS 122 N -3.30 0.18 -0.31 -3.49 1.02 0.03 -5.00 119.74 108.87 2o1c s LYS 122 Ca 0.04 -0.17 -0.17 0.00 0.02 0.00 0.00 55.97 55.68 2o1c s LYS 122 Cb 0.03 0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.39 2o1c s LYS 122 CO -0.06 -0.03 0.47 -1.58 -0.92 0.00 0.00 175.35 173.23 2o1c s TRP 123 N -0.55 3.22 0.09 3.18 0.52 -1.26 -0.71 118.94 123.43 2o1c s TRP 123 Ca -0.06 0.33 0.07 0.00 0.02 0.00 0.00 56.10 56.46 2o1c s TRP 123 Cb -0.04 -2.77 -0.03 0.00 -1.15 0.00 0.00 33.47 29.48 2o1c s TRP 123 CO -0.00 -0.39 -0.19 -0.51 0.02 0.00 0.00 176.95 175.87 2o1c s LEU 124 N 2.26 2.28 0.58 2.99 1.43 -0.44 -4.89 118.68 122.90 2o1c s LEU 124 Ca 0.18 -0.66 -0.20 0.00 -1.03 0.00 0.00 54.13 52.42 2o1c s LEU 124 Cb -0.16 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 2o1c s LEU 124 CO 0.11 0.04 1.31 1.51 0.23 0.00 0.00 176.35 179.55 2o1c s ASP 125 N -1.81 5.09 0.16 2.29 1.47 -1.26 0.64 116.67 123.24 2o1c s ASP 125 Ca 0.05 2.65 -0.20 0.00 1.18 0.00 0.00 52.55 56.23 2o1c s ASP 125 Cb -0.10 -2.62 0.06 0.00 -0.34 0.00 0.00 42.92 39.92 2o1c s ASP 125 CO 0.04 -1.68 1.65 0.00 0.68 0.00 0.00 175.17 175.85 2o1c h ALA 126 N 1.12 0.08 -0.44 2.11 0.00 -1.94 -0.43 119.26 119.76 2o1c h ALA 126 Ca -0.51 0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.57 2o1c h ALA 126 Cb 1.31 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 2o1c h ALA 126 CO 0.56 -0.55 0.15 -1.35 0.00 0.00 0.00 179.25 178.06 2o1c h PRO 127 N -0.12 0.31 -0.51 0.00 0.11 -1.95 0.16 132.00 130.01 2o1c h PRO 127 Ca 0.16 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.33 2o1c h PRO 127 Cb 0.37 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 31.34 2o1c h PRO 127 CO -0.39 0.21 0.13 0.00 -0.21 0.00 0.00 178.00 177.74 2o1c h ALA 128 N 1.29 0.59 -0.30 -0.75 0.00 -1.75 0.13 119.26 118.47 2o1c h ALA 128 Ca 0.21 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2o1c h ALA 128 Cb 0.20 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2o1c h ALA 128 CO -0.21 -0.27 0.18 0.00 0.00 0.00 0.00 179.25 178.95 2o1c h ALA 129 N 1.38 0.38 -0.63 0.00 0.00 -0.43 -0.86 119.26 119.11 2o1c h ALA 129 Ca 0.25 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2o1c h ALA 129 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2o1c h ALA 129 CO -0.30 -0.12 0.21 0.00 0.00 0.00 0.00 179.25 179.03 2o1c h ALA 130 N 1.07 1.18 -0.01 0.00 0.00 -0.15 -2.65 119.26 118.71 2o1c h ALA 130 Ca 0.11 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 2o1c h ALA 130 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2o1c h ALA 130 CO -0.02 0.57 -0.72 0.00 0.00 0.00 0.00 179.25 179.09 2o1c h ALA 131 N 1.31 0.79 0.00 0.00 0.00 -0.52 -3.33 119.26 117.51 2o1c h ALA 131 Ca 0.21 -0.64 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 2o1c h ALA 131 Cb 0.25 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.95 2o1c h ALA 131 CO -0.01 0.87 -1.03 1.25 0.00 0.00 0.00 179.25 180.33 2o1c h LEU 132 N 0.04 0.84 -9.98 0.00 5.85 -0.88 -3.46 115.31 107.73 2o1c h LEU 132 Ca -0.01 -0.67 -0.53 0.00 0.84 0.00 0.00 57.88 57.50 2o1c h LEU 132 Cb 1.27 -0.26 0.10 0.00 0.37 0.00 0.00 40.66 42.14 2o1c h LEU 132 CO 0.10 1.48 0.65 0.28 -0.34 0.00 0.00 178.44 180.60 2o1c s THR 133 N -3.31 2.35 -0.15 1.05 -1.32 -1.02 -4.66 115.64 108.58 2o1c s THR 133 Ca -0.09 0.30 0.22 0.00 -1.21 0.00 0.00 61.69 60.91 2o1c s THR 133 Cb 0.07 -3.17 0.24 0.00 -1.51 0.00 0.00 72.50 68.12 2o1c s THR 133 CO 0.91 0.04 1.65 0.11 -2.21 0.00 0.00 174.62 175.12 2o1c h LYS 134 N 2.39 0.00 -5.80 7.08 1.57 -1.86 -3.45 116.57 116.50 2o1c h LYS 134 Ca -0.50 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.68 2o1c h LYS 134 Cb 1.26 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.48 2o1c h LYS 134 CO 0.61 0.21 0.47 0.45 -0.57 0.00 0.00 179.45 180.62 2o1c s SER 135 N -6.22 6.80 0.33 0.86 0.15 -1.26 -4.94 113.70 109.42 2o1c s SER 135 Ca 0.04 0.97 0.02 0.00 0.70 0.00 0.00 55.95 57.68 2o1c s SER 135 Cb 0.07 -2.43 0.58 0.00 -1.71 0.00 0.00 66.02 62.54 2o1c s SER 135 CO 0.67 -0.54 1.92 4.11 1.20 0.00 0.00 173.24 180.60 2o1c h TRP 136 N 7.77 0.70 -0.39 3.44 5.08 -1.97 -1.38 115.95 129.19 2o1c h TRP 136 Ca -0.23 -0.03 -0.13 0.00 1.08 0.00 0.00 58.89 59.58 2o1c h TRP 136 Cb 1.09 -0.22 -0.01 0.00 -3.00 0.00 0.00 29.16 27.03 2o1c h TRP 136 CO 0.76 0.55 -0.25 0.66 -1.28 0.00 0.00 178.44 178.88 2o1c h SER 137 N 0.69 0.89 -0.61 0.11 4.64 -1.99 0.20 113.55 117.49 2o1c h SER 137 Ca 0.17 -0.43 0.02 0.00 -0.47 0.00 0.00 61.79 61.08 2o1c h SER 137 Cb 0.16 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.96 2o1c h SER 137 CO -0.01 1.13 0.38 -1.13 -0.87 0.00 0.00 176.83 176.32 2o1c h ASN 138 N 0.66 0.63 -0.19 4.97 -0.00 -1.90 0.70 115.58 120.45 2o1c h ASN 138 Ca 0.08 -0.00 0.02 0.00 -0.00 0.00 0.00 56.30 56.39 2o1c h ASN 138 Cb 0.82 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.98 2o1c h ASN 138 CO 0.07 0.44 0.07 -0.09 -0.00 0.00 0.00 177.43 177.92 2o1c h ARG 139 N 0.75 0.16 -0.62 6.67 2.43 -1.09 -1.76 114.38 120.91 2o1c h ARG 139 Ca 0.24 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 2o1c h ARG 139 Cb -0.01 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2o1c h ARG 139 CO -0.09 0.10 0.16 0.37 -1.51 0.00 0.00 179.97 179.01 2o1c h GLN 140 N 0.16 0.99 -0.48 0.20 4.15 -0.56 -1.83 115.11 117.74 2o1c h GLN 140 Ca 0.08 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 2o1c h GLN 140 Cb 0.04 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 2o1c h GLN 140 CO -0.08 0.89 0.28 0.00 -1.93 0.00 0.00 178.83 177.99 2o1c h ALA 141 N 1.05 0.62 -0.67 3.38 0.00 -0.75 -1.13 119.26 121.76 2o1c h ALA 141 Ca 0.20 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2o1c h ALA 141 Cb 0.34 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2o1c h ALA 141 CO -0.00 0.12 0.44 0.82 0.00 0.00 0.00 179.25 180.64 2o1c h ILE 142 N 0.64 1.17 -0.30 0.00 2.04 -1.14 -0.82 117.51 119.10 2o1c h ILE 142 Ca 0.17 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2o1c h ILE 142 Cb 0.02 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 2o1c h ILE 142 CO -0.03 0.17 0.16 -0.33 0.00 0.00 0.00 178.15 178.12 2o1c h GLU 143 N 0.91 0.41 -0.18 2.37 5.08 -1.07 -0.25 114.58 121.86 2o1c h GLU 143 Ca 0.25 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 2o1c h GLU 143 Cb -0.11 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2o1c h GLU 143 CO -0.05 0.35 -0.33 0.37 -1.00 0.00 0.00 179.01 178.35 2o1c h GLN 144 N 0.36 0.55 -0.00 2.33 4.15 -1.09 0.35 115.11 121.76 2o1c h GLN 144 Ca 0.10 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 59.18 2o1c h GLN 144 Cb 0.06 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.79 2o1c h GLN 144 CO -0.02 0.95 -0.70 1.19 -1.93 0.00 0.00 178.83 178.33 2o1c n PHE 145 N -4.32 0.00 0.04 3.99 3.72 -0.33 -3.20 117.46 117.35 2o1c n PHE 145 Ca -0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.33 2o1c n PHE 145 Cb 0.50 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.03 2o1c n PHE 145 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2o1c n VAL 146 N -0.99 1.24 0.11 -4.37 0.31 -0.28 -4.57 118.33 109.78 2o1c n VAL 146 Ca 0.05 0.38 -0.13 0.00 -0.01 0.00 0.00 64.34 64.62 2o1c n VAL 146 Cb 0.32 -1.64 -0.08 0.00 -0.91 0.00 0.00 33.84 31.52 2o1c n VAL 146 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2o1c h ILE 147 N -0.09 0.89 -0.02 2.52 2.04 -1.00 -3.18 117.51 118.67 2o1c h ILE 147 Ca 0.00 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2o1c h ILE 147 Cb 0.09 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2o1c h ILE 147 CO 0.00 0.12 -0.06 0.59 0.00 0.00 0.00 178.15 178.80 2o1c n ASN 148 N -5.08 1.99 0.00 1.72 3.02 0.12 -5.04 115.26 111.99 2o1c n ASN 148 Ca -0.09 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 2o1c n ASN 148 Cb 0.22 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 2o1c n ASN 148 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64