#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oyn s LEU 1 N 0.00 2.43 -0.05 -3.43 0.05 -1.26 -5.15 118.68 111.28 2oyn s LEU 1 Ca 0.00 -0.85 0.03 0.00 0.05 0.00 0.00 54.13 53.36 2oyn s LEU 1 Cb 0.00 -0.27 0.00 0.00 -2.05 0.00 0.00 46.19 43.87 2oyn s LEU 1 CO 0.00 -0.29 -0.15 -0.69 -0.55 0.00 0.00 176.35 174.67 2oyn s VAL 2 N -2.66 1.26 -0.10 1.48 1.01 -1.26 -5.11 120.40 115.02 2oyn s VAL 2 Ca 0.07 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 2oyn s VAL 2 Cb -0.01 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 2oyn s VAL 2 CO -0.01 0.37 -0.02 -0.54 0.00 0.00 0.00 175.10 174.91 2oyn s LYS 3 N 0.24 3.11 0.03 2.72 1.02 -1.26 -5.01 119.74 120.59 2oyn s LYS 3 Ca -0.07 -0.45 0.05 0.00 0.02 0.00 0.00 55.97 55.52 2oyn s LYS 3 Cb -0.12 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.37 2oyn s LYS 3 CO 0.03 0.59 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.39 2oyn s LEU 4 N -0.58 2.15 -0.05 3.17 1.43 -1.26 -0.34 118.68 123.19 2oyn s LEU 4 Ca 0.09 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 2oyn s LEU 4 Cb -0.12 -0.67 0.01 0.00 0.03 0.00 0.00 46.19 45.44 2oyn s LEU 4 CO 0.02 0.07 -0.09 -0.32 0.23 0.00 0.00 176.35 176.26 2oyn s MET 5 N -1.04 1.31 -0.16 1.70 1.75 -0.14 -4.98 119.30 117.74 2oyn s MET 5 Ca 0.03 -0.30 0.02 0.00 -1.25 0.00 0.00 55.69 54.18 2oyn s MET 5 Cb -0.08 -1.15 0.01 0.00 2.84 0.00 0.00 34.83 36.46 2oyn s MET 5 CO 0.01 0.01 -0.21 0.42 -0.65 0.00 0.00 175.02 174.61 2oyn s ILE 6 N 0.65 2.08 -0.07 10.11 1.01 -1.26 -0.78 121.20 132.93 2oyn s ILE 6 Ca -0.12 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.62 2oyn s ILE 6 Cb -0.14 -1.85 -0.00 0.00 0.01 0.00 0.00 42.46 40.48 2oyn s ILE 6 CO 0.02 0.54 -0.23 -0.63 0.00 0.00 0.00 174.94 174.65 2oyn s ILE 7 N 1.03 1.91 0.23 2.92 1.01 -0.34 -4.96 121.20 123.00 2oyn s ILE 7 Ca -0.02 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.38 2oyn s ILE 7 Cb -0.14 -1.64 -0.09 0.00 0.01 0.00 0.00 42.46 40.60 2oyn s ILE 7 CO -0.07 0.53 0.91 -1.61 0.00 0.00 0.00 174.94 174.70 2oyn s GLU 8 N 0.14 4.79 0.01 2.79 2.02 -1.26 -1.65 118.70 125.54 2oyn s GLU 8 Ca -0.11 1.42 0.02 0.00 0.02 0.00 0.00 54.97 56.32 2oyn s GLU 8 Cb -0.15 -3.26 -0.01 0.00 0.10 0.00 0.00 34.13 30.80 2oyn s GLU 8 CO 0.06 0.52 -0.07 0.20 0.02 0.00 0.00 175.26 175.99 2oyn s GLY 9 N -1.19 0.37 -0.14 -1.39 0.00 0.11 -4.55 107.32 100.53 2oyn s GLY 9 Ca 0.40 -0.39 -0.16 0.00 0.00 0.00 0.00 44.72 44.57 2oyn s GLY 9 CO 0.31 -0.37 0.39 1.85 0.00 0.00 0.00 173.10 175.27 2oyn s GLU 10 N -0.49 4.30 0.05 2.90 2.12 -0.03 -1.02 118.70 126.53 2oyn s GLU 10 Ca -0.00 0.27 -0.31 0.00 0.36 0.00 0.00 54.97 55.30 2oyn s GLU 10 Cb -0.04 -3.44 -0.07 0.00 0.26 0.00 0.00 34.13 30.84 2oyn s GLU 10 CO -0.00 0.19 1.57 0.08 -0.54 0.00 0.00 175.26 176.55 2oyn s VAL 11 N 0.59 3.25 0.30 3.70 1.01 0.49 -0.31 120.40 129.43 2oyn s VAL 11 Ca 0.21 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.90 2oyn s VAL 11 Cb -0.14 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 2oyn s VAL 11 CO 0.07 -0.00 0.09 0.68 0.00 0.00 0.00 175.10 175.94 2oyn s VAL 12 N 2.53 0.74 -0.02 2.92 -7.23 -0.65 -0.74 120.40 117.95 2oyn s VAL 12 Ca 0.70 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.92 2oyn s VAL 12 Cb -0.37 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 2oyn s VAL 12 CO 0.30 0.00 -0.16 -0.55 -0.31 0.00 0.00 175.10 174.39 2oyn s SER 13 N -3.41 3.92 0.00 4.85 0.15 -1.26 -4.06 113.70 113.89 2oyn s SER 13 Ca 0.36 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2oyn s SER 13 Cb 0.07 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 2oyn s SER 13 CO 0.15 0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.52 2oyn n GLY 14 N 2.11 1.18 1.45 9.45 0.00 -1.26 -5.03 105.19 113.09 2oyn n GLY 14 Ca -0.17 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 2oyn n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oyn n LEU 15 N 0.00 4.66 0.00 0.99 4.77 -1.26 -4.93 117.00 121.23 2oyn n LEU 15 Ca 0.00 -4.01 0.00 0.00 -0.03 0.00 0.00 56.01 51.97 2oyn n LEU 15 Cb 0.00 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 2oyn n LEU 15 CO 0.00 1.44 0.00 0.61 -1.33 0.00 0.00 177.39 178.11 2oyn n GLY 16 N -1.04 0.56 0.21 -0.72 0.00 -1.26 -4.97 105.19 97.98 2oyn n GLY 16 Ca 0.39 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 2oyn n GLY 16 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2oyn h GLU 17 N 0.83 0.54 -0.15 1.61 3.07 -1.99 -3.21 114.58 115.28 2oyn h GLU 17 Ca 0.00 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.69 2oyn h GLU 17 Cb 0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 2oyn h GLU 17 CO 0.00 0.36 -0.51 0.78 -1.40 0.00 0.00 179.01 178.24 2oyn h GLY 18 N 0.56 0.45 2.00 -3.84 0.00 -1.93 -1.60 103.07 98.71 2oyn h GLY 18 Ca 0.23 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2oyn h GLY 18 CO -0.14 0.45 -0.10 0.07 0.00 0.00 0.00 176.54 176.82 2oyn h ARG 19 N 0.33 0.00 0.25 4.80 0.11 -1.75 0.93 114.38 119.05 2oyn h ARG 19 Ca 0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.08 2oyn h ARG 19 Cb 1.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.09 2oyn h ARG 19 CO 0.09 0.10 -0.12 -0.92 0.10 0.00 0.00 179.97 179.21 2oyn h TYR 20 N 0.00 -0.32 -0.91 4.08 3.20 -1.33 -3.06 116.97 118.63 2oyn h TYR 20 Ca -0.00 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2oyn h TYR 20 Cb 0.23 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 2oyn h TYR 20 CO 0.00 -0.19 0.60 0.74 -1.64 0.00 0.00 178.16 177.67 2oyn h PHE 21 N -1.09 1.13 0.00 -3.82 0.04 -1.19 -1.21 116.94 110.80 2oyn h PHE 21 Ca -0.03 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2oyn h PHE 21 Cb 0.27 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.04 2oyn h PHE 21 CO 0.00 0.69 0.00 1.28 -0.60 0.00 0.00 178.31 179.68 2oyn n LEU 22 N -4.42 0.00 0.15 1.54 7.99 0.31 -1.88 117.00 120.68 2oyn n LEU 22 Ca 0.11 0.44 0.13 0.00 -0.01 0.00 0.00 56.01 56.68 2oyn n LEU 22 Cb 0.05 -0.44 0.31 0.00 -0.11 0.00 0.00 43.42 43.23 2oyn n LEU 22 CO 0.36 -0.08 0.83 0.77 -1.51 0.00 0.00 177.39 177.76 2oyn h SER 23 N 0.00 0.00 -2.93 -1.43 4.64 -1.10 -3.42 113.55 109.31 2oyn h SER 23 Ca 0.00 -0.01 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2oyn h SER 23 Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 2oyn h SER 23 CO 0.00 0.00 0.85 -0.76 -0.87 0.00 0.00 176.83 176.06 2oyn s LEU 24 N -5.15 4.25 0.29 5.97 1.43 -0.79 -4.93 118.68 119.75 2oyn s LEU 24 Ca 0.09 1.87 0.03 0.00 -1.03 0.00 0.00 54.13 55.10 2oyn s LEU 24 Cb 0.10 -3.55 0.63 0.00 0.03 0.00 0.00 46.19 43.40 2oyn s LEU 24 CO 0.63 -0.72 1.80 -0.65 0.23 0.00 0.00 176.35 177.64 2oyn h PRO 25 N 8.06 0.85 -0.73 1.29 0.11 -1.88 -0.89 132.00 138.80 2oyn h PRO 25 Ca -0.32 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2oyn h PRO 25 Cb 1.14 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 2oyn h PRO 25 CO 0.93 0.56 0.47 -1.35 -0.21 0.00 0.00 178.00 178.40 2oyn h PRO 26 N 0.87 0.97 -0.10 1.05 0.11 -1.95 0.13 132.00 133.08 2oyn h PRO 26 Ca 0.53 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.52 2oyn h PRO 26 Cb 0.68 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 2oyn h PRO 26 CO -0.32 0.66 -0.15 1.88 -0.21 0.00 0.00 178.00 179.86 2oyn h TYR 27 N 1.00 0.35 -0.43 0.65 0.05 -1.66 -2.20 116.97 114.73 2oyn h TYR 27 Ca 0.27 -0.12 0.08 0.00 0.05 0.00 0.00 58.73 59.01 2oyn h TYR 27 Cb -0.09 -0.07 -0.07 0.00 1.01 0.00 0.00 36.73 37.51 2oyn h TYR 27 CO 0.00 0.74 -0.04 0.87 -1.05 0.00 0.00 178.16 178.68 2oyn h LYS 28 N -0.15 0.06 -0.27 4.88 1.57 -0.87 -1.05 116.57 120.74 2oyn h LYS 28 Ca 0.01 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2oyn h LYS 28 Cb 0.70 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2oyn h LYS 28 CO 0.03 0.04 -0.04 1.05 -0.57 0.00 0.00 179.45 179.96 2oyn h GLU 29 N 0.06 0.50 -0.29 3.15 4.11 -0.79 -2.00 114.58 119.32 2oyn h GLU 29 Ca 0.21 -0.18 -0.10 0.00 0.07 0.00 0.00 59.36 59.36 2oyn h GLU 29 Cb 0.31 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2oyn h GLU 29 CO -0.39 0.70 -0.24 0.97 0.07 0.00 0.00 179.01 180.12 2oyn h ILE 30 N 0.26 1.27 -0.41 -1.06 6.09 -1.26 -1.62 117.51 120.77 2oyn h ILE 30 Ca 0.07 -1.27 -0.06 0.00 -1.37 0.00 0.00 64.86 62.22 2oyn h ILE 30 Cb 0.50 1.31 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 2oyn h ILE 30 CO 0.02 0.41 0.00 -0.26 -3.07 0.00 0.00 178.15 175.26 2oyn h PHE 31 N 0.48 0.79 -0.58 2.19 0.04 -1.12 -1.64 116.94 117.10 2oyn h PHE 31 Ca 0.07 -0.13 0.07 0.00 2.80 0.00 0.00 57.97 60.77 2oyn h PHE 31 Cb 0.67 -0.21 -0.06 0.00 2.20 0.00 0.00 35.95 38.56 2oyn h PHE 31 CO 0.02 0.79 0.27 -0.22 -0.60 0.00 0.00 178.31 178.58 2oyn h LYS 32 N 0.55 0.49 -0.31 1.51 3.64 -1.16 -0.15 116.57 121.15 2oyn h LYS 32 Ca 0.12 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2oyn h LYS 32 Cb 0.47 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2oyn h LYS 32 CO 0.02 0.32 0.11 0.87 -2.27 0.00 0.00 179.45 178.51 2oyn h LYS 33 N 0.51 0.47 -0.34 1.90 1.79 -1.05 0.63 116.57 120.47 2oyn h LYS 33 Ca 0.27 -0.09 -0.11 0.00 -2.18 0.00 0.00 60.65 58.54 2oyn h LYS 33 Cb 0.24 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 2oyn h LYS 33 CO -0.22 0.50 -0.23 0.82 -1.08 0.00 0.00 179.45 179.24 2oyn h ILE 34 N 0.35 1.29 0.00 1.86 2.04 -1.13 -3.37 117.51 118.55 2oyn h ILE 34 Ca 0.10 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 2oyn h ILE 34 Cb 0.21 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2oyn h ILE 34 CO -0.01 0.45 -1.72 0.18 0.00 0.00 0.00 178.15 177.05 2oyn n LEU 35 N -4.27 0.00 0.00 1.44 4.77 -0.08 -4.99 117.00 113.87 2oyn n LEU 35 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2oyn n LEU 35 Cb 0.44 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2oyn n LEU 35 CO 0.44 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2oyn n GLY 36 N 1.64 0.60 3.17 -0.72 0.00 0.21 -5.03 105.19 105.07 2oyn n GLY 36 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2oyn n GLY 36 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2oyn s PHE 37 N -2.34 1.00 -0.39 1.61 -0.12 -1.25 -5.05 117.98 111.44 2oyn s PHE 37 Ca 0.00 -0.74 -0.21 0.00 -0.05 0.00 0.00 56.93 55.94 2oyn s PHE 37 Cb 0.00 -0.55 0.01 0.00 -0.63 0.00 0.00 43.02 41.85 2oyn s PHE 37 CO 0.00 -0.04 0.65 -1.21 -0.05 0.00 0.00 175.22 174.56 2oyn s GLU 38 N -3.14 3.50 0.41 1.99 2.02 -1.26 -3.61 118.70 118.62 2oyn s GLU 38 Ca 0.08 -0.13 -0.25 0.00 0.02 0.00 0.00 54.97 54.69 2oyn s GLU 38 Cb -0.00 -3.87 -0.08 0.00 0.10 0.00 0.00 34.13 30.27 2oyn s GLU 38 CO -0.01 -0.87 1.22 -1.25 0.02 0.00 0.00 175.26 174.37 2oyn s PRO 39 N 2.78 3.97 0.46 0.39 0.05 -1.26 -4.39 135.00 137.00 2oyn s PRO 39 Ca 0.24 1.95 -0.24 0.00 0.05 0.00 0.00 61.00 63.01 2oyn s PRO 39 Cb -0.14 -2.67 -0.09 0.00 0.05 0.00 0.00 34.50 31.65 2oyn s PRO 39 CO 0.17 -0.43 1.18 0.98 0.05 0.00 0.00 177.00 178.95 2oyn n TYR 40 N 0.01 1.76 -2.42 0.56 9.36 0.10 -4.87 117.16 121.67 2oyn n TYR 40 Ca 0.05 0.50 -0.38 0.00 3.32 0.00 0.00 57.90 61.38 2oyn n TYR 40 Cb 0.46 -2.31 -0.03 0.00 -0.63 0.00 0.00 39.34 36.83 2oyn n TYR 40 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 2oyn s GLU 41 N -2.31 3.45 0.00 2.98 2.02 -1.26 -4.77 118.70 118.80 2oyn s GLU 41 Ca 0.65 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 54.23 2oyn s GLU 41 Cb -0.50 -5.38 0.00 0.00 0.10 0.00 0.00 34.13 28.35 2oyn s GLU 41 CO 0.55 -2.68 0.00 0.41 0.02 0.00 0.00 175.26 173.57 2oyn n GLY 42 N 6.07 0.66 3.08 -1.39 0.00 -1.26 -4.36 105.19 107.99 2oyn n GLY 42 Ca 0.43 -1.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 2oyn n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2oyn s THR 43 N -2.00 1.03 -0.33 2.61 -4.23 -1.26 -4.73 115.64 106.73 2oyn s THR 43 Ca 0.00 -0.54 -0.24 0.00 -1.18 0.00 0.00 61.69 59.74 2oyn s THR 43 Cb 0.00 -0.87 0.01 0.00 1.34 0.00 0.00 72.50 72.97 2oyn s THR 43 CO 0.00 0.30 0.81 -0.22 -0.54 0.00 0.00 174.62 174.97 2oyn s LEU 44 N -0.16 4.08 0.04 4.79 2.96 0.39 -4.82 118.68 125.96 2oyn s LEU 44 Ca 0.02 0.59 -0.27 0.00 -0.22 0.00 0.00 54.13 54.25 2oyn s LEU 44 Cb -0.07 -3.10 -0.05 0.00 0.50 0.00 0.00 46.19 43.48 2oyn s LEU 44 CO 0.00 -0.68 0.86 0.20 -1.32 0.00 0.00 176.35 175.41 2oyn s ASN 45 N 1.71 7.30 -0.02 3.68 -0.87 -1.26 -1.17 114.94 124.32 2oyn s ASN 45 Ca 0.33 1.56 0.04 0.00 -1.57 0.00 0.00 52.86 53.22 2oyn s ASN 45 Cb -0.14 -2.52 -0.00 0.00 -0.02 0.00 0.00 41.25 38.57 2oyn s ASN 45 CO 0.14 -0.09 -0.12 -0.76 -2.57 0.00 0.00 177.10 173.70 2oyn s LEU 46 N 0.31 1.93 -0.29 0.60 1.43 0.05 -1.64 118.68 121.08 2oyn s LEU 46 Ca 0.44 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 53.20 2oyn s LEU 46 Cb -0.21 -0.67 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 2oyn s LEU 46 CO 0.25 0.13 0.16 -0.75 0.23 0.00 0.00 176.35 176.37 2oyn s LYS 47 N -0.09 3.69 0.36 1.70 2.20 0.57 -1.02 119.74 127.14 2oyn s LYS 47 Ca 0.01 -0.49 0.05 0.00 -0.36 0.00 0.00 55.97 55.19 2oyn s LYS 47 Cb -0.07 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 2oyn s LYS 47 CO 0.00 -0.27 0.51 -0.51 -0.36 0.00 0.00 175.35 174.72 2oyn s LEU 48 N 1.69 3.92 0.00 5.43 1.43 0.39 -0.85 118.68 130.68 2oyn s LEU 48 Ca 0.06 -0.07 0.21 0.00 -1.03 0.00 0.00 54.13 53.30 2oyn s LEU 48 Cb -0.16 -2.85 0.58 0.00 0.03 0.00 0.00 46.19 43.79 2oyn s LEU 48 CO 0.08 -0.48 1.46 -0.90 0.23 0.00 0.00 176.35 176.75 2oyn n ASP 49 N -1.73 2.42 -4.03 2.29 5.68 -1.26 -4.85 116.55 115.07 2oyn n ASP 49 Ca -0.00 -1.86 -0.08 0.00 -0.50 0.00 0.00 54.79 52.35 2oyn n ASP 49 Cb 0.58 -0.19 -0.10 0.00 -1.14 0.00 0.00 41.12 40.27 2oyn n ASP 49 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2oyn s ARG 50 N -1.62 0.61 0.48 0.11 0.52 -1.26 -5.14 118.95 112.65 2oyn s ARG 50 Ca 0.34 -1.08 -0.24 0.00 -0.52 0.00 0.00 55.73 54.24 2oyn s ARG 50 Cb 0.19 0.22 -0.07 0.00 0.52 0.00 0.00 34.95 35.81 2oyn s ARG 50 CO 0.27 -0.13 1.32 -1.21 0.02 0.00 0.00 175.30 175.57 2oyn s GLU 51 N -3.55 3.57 -0.20 3.54 2.02 -1.26 -4.50 118.70 118.32 2oyn s GLU 51 Ca 0.03 2.16 -0.07 0.00 0.02 0.00 0.00 54.97 57.11 2oyn s GLU 51 Cb 0.05 -2.48 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 2oyn s GLU 51 CO -0.09 -0.82 0.05 0.12 0.02 0.00 0.00 175.26 174.54 2oyn s PHE 52 N -1.32 3.14 -0.35 1.61 5.36 0.24 -4.90 117.98 121.76 2oyn s PHE 52 Ca 0.64 -0.17 -0.01 0.00 -0.96 0.00 0.00 56.93 56.43 2oyn s PHE 52 Cb -0.38 -2.11 0.09 0.00 -0.34 0.00 0.00 43.02 40.27 2oyn s PHE 52 CO 0.47 -0.07 0.10 0.34 -1.46 0.00 0.00 175.22 174.60 2oyn s ASP 53 N 0.82 5.01 0.64 6.13 2.15 -1.26 -4.01 116.67 126.15 2oyn s ASP 53 Ca 0.03 -1.79 0.40 0.00 0.43 0.00 0.00 52.55 51.62 2oyn s ASP 53 Cb -0.14 -1.74 2.22 0.00 -0.30 0.00 0.00 42.92 42.96 2oyn s ASP 53 CO 0.02 -0.41 2.32 -0.29 -0.17 0.00 0.00 175.17 176.65 2oyn h ILE 54 N 6.46 0.14 0.00 4.11 2.10 -1.97 -2.25 117.51 126.10 2oyn h ILE 54 Ca -0.14 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.75 2oyn h ILE 54 Cb 1.05 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 2oyn h ILE 54 CO 0.60 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 178.27 2oyn n ASN 55 N -3.28 0.16 0.00 2.19 3.02 -1.26 -1.60 115.26 114.50 2oyn n ASN 55 Ca -0.03 0.53 0.15 0.00 -0.03 0.00 0.00 54.58 55.21 2oyn n ASN 55 Cb 0.09 -0.57 0.88 0.00 -0.61 0.00 0.00 39.78 39.56 2oyn n ASN 55 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2oyn n LYS 56 N -1.67 0.83 -4.47 3.52 5.02 -0.84 -4.87 118.16 115.68 2oyn n LYS 56 Ca 0.04 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 2oyn n LYS 56 Cb 0.23 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.63 2oyn n LYS 56 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2oyn s PHE 57 N -2.14 2.06 -1.14 2.13 0.08 -0.62 -1.47 117.98 116.87 2oyn s PHE 57 Ca 0.42 -0.79 -0.17 0.00 0.12 0.00 0.00 56.93 56.51 2oyn s PHE 57 Cb 0.21 -1.29 0.12 0.00 -0.57 0.00 0.00 43.02 41.50 2oyn s PHE 57 CO 0.38 0.21 1.44 0.15 -0.10 0.00 0.00 175.22 177.30 2oyn s LYS 58 N -3.78 3.90 0.56 0.44 1.02 -1.26 -4.48 119.74 116.13 2oyn s LYS 58 Ca 0.33 -2.08 -0.05 0.00 0.02 0.00 0.00 55.97 54.19 2oyn s LYS 58 Cb 0.07 -5.18 0.01 0.00 -0.52 0.00 0.00 37.83 32.20 2oyn s LYS 58 CO 0.14 -1.94 0.85 1.52 -0.92 0.00 0.00 175.35 175.01 2oyn s TYR 59 N 2.86 3.25 -0.13 3.18 -0.85 -1.26 -4.88 117.35 119.52 2oyn s TYR 59 Ca 0.43 0.56 -0.02 0.00 -0.52 0.00 0.00 57.07 57.52 2oyn s TYR 59 Cb -0.01 -2.65 -0.03 0.00 0.38 0.00 0.00 41.96 39.65 2oyn s TYR 59 CO -0.01 -0.72 -0.05 0.42 -1.52 0.00 0.00 175.55 173.67 2oyn s ILE 60 N -2.90 3.84 -0.14 -3.49 1.09 0.46 -4.89 121.20 115.18 2oyn s ILE 60 Ca 0.53 -0.39 -0.05 0.00 -1.10 0.00 0.00 60.65 59.64 2oyn s ILE 60 Cb -0.10 -2.65 -0.03 0.00 -1.06 0.00 0.00 42.46 38.61 2oyn s ILE 60 CO 0.44 0.53 0.02 -0.70 -0.10 0.00 0.00 174.94 175.13 2oyn s GLU 61 N -0.04 3.52 0.60 2.79 2.12 -1.26 -0.04 118.70 126.39 2oyn s GLU 61 Ca 0.01 -0.39 0.05 0.00 0.36 0.00 0.00 54.97 55.00 2oyn s GLU 61 Cb -0.13 -2.99 0.08 0.00 0.26 0.00 0.00 34.13 31.35 2oyn s GLU 61 CO 0.03 0.46 0.83 0.95 -0.54 0.00 0.00 175.26 176.98 2oyn s THR 62 N -0.18 2.33 0.13 -1.70 -4.23 0.51 -4.95 115.64 107.56 2oyn s THR 62 Ca 0.06 -0.81 0.05 0.00 -1.18 0.00 0.00 61.69 59.81 2oyn s THR 62 Cb -0.12 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 2oyn s THR 62 CO 0.02 0.00 0.07 -1.61 -0.54 0.00 0.00 174.62 172.55 2oyn s GLU 63 N -4.80 2.73 0.72 3.99 2.02 -1.26 -4.10 118.70 117.99 2oyn s GLU 63 Ca 0.62 -0.86 -0.16 0.00 0.02 0.00 0.00 54.97 54.59 2oyn s GLU 63 Cb -0.07 -2.59 0.03 0.00 0.10 0.00 0.00 34.13 31.60 2oyn s GLU 63 CO 0.40 0.51 1.26 -0.51 0.02 0.00 0.00 175.26 176.94 2oyn s ASP 64 N -2.72 4.15 0.24 -0.19 1.01 -1.26 -3.83 116.67 114.07 2oyn s ASP 64 Ca 0.29 2.53 -0.15 0.00 0.71 0.00 0.00 52.55 55.92 2oyn s ASP 64 Cb -0.11 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.22 2oyn s ASP 64 CO 0.21 -2.31 0.53 0.72 0.21 0.00 0.00 175.17 174.53 2oyn s PHE 65 N -1.70 0.15 -0.05 4.23 -0.12 -0.11 -4.89 117.98 115.48 2oyn s PHE 65 Ca 0.79 -0.53 0.06 0.00 -0.05 0.00 0.00 56.93 57.20 2oyn s PHE 65 Cb -0.34 0.33 -0.02 0.00 -0.63 0.00 0.00 43.02 42.36 2oyn s PHE 65 CO 0.44 -1.01 -0.23 -2.00 -0.05 0.00 0.00 175.22 172.37 2oyn s GLU 66 N -3.96 2.44 -0.11 1.99 2.12 -1.26 -0.04 118.70 119.87 2oyn s GLU 66 Ca 0.17 -0.88 -0.07 0.00 0.36 0.00 0.00 54.97 54.56 2oyn s GLU 66 Cb -0.02 -2.17 0.04 0.00 0.26 0.00 0.00 34.13 32.24 2oyn s GLU 66 CO 0.06 0.47 0.27 0.12 -0.54 0.00 0.00 175.26 175.63 2oyn s PHE 67 N -0.36 -0.35 -0.94 5.30 5.36 -0.50 -4.85 117.98 121.64 2oyn s PHE 67 Ca 0.03 0.83 -0.05 0.00 -0.96 0.00 0.00 56.93 56.77 2oyn s PHE 67 Cb -0.12 0.09 0.05 0.00 -0.34 0.00 0.00 43.02 42.69 2oyn s PHE 67 CO 0.02 -0.22 0.23 0.09 -1.46 0.00 0.00 175.22 173.88 2oyn n ASN 68 N 3.90 -2.92 0.00 6.13 3.02 -1.26 -2.18 115.26 121.94 2oyn n ASN 68 Ca -0.22 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 2oyn n ASN 68 Cb 0.55 -2.50 0.00 0.00 -0.61 0.00 0.00 39.78 37.22 2oyn n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2oyn n GLY 69 N -0.89 0.71 3.42 7.41 0.00 -1.26 -5.06 105.19 109.52 2oyn n GLY 69 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2oyn n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oyn s LYS 70 N -0.67 1.72 -0.06 1.61 -2.85 -0.93 -5.12 119.74 113.45 2oyn s LYS 70 Ca 0.00 -1.18 -0.23 0.00 -1.00 0.00 0.00 55.97 53.56 2oyn s LYS 70 Cb 0.00 -2.03 -0.04 0.00 -2.06 0.00 0.00 37.83 33.70 2oyn s LYS 70 CO 0.00 0.49 0.69 1.03 0.10 0.00 0.00 175.35 177.65 2oyn s ARG 71 N -1.79 4.43 0.07 1.78 1.81 -1.26 -1.41 118.95 122.58 2oyn s ARG 71 Ca 0.15 0.86 0.09 0.00 -1.72 0.00 0.00 55.73 55.10 2oyn s ARG 71 Cb -0.10 -3.44 -0.03 0.00 -0.45 0.00 0.00 34.95 30.93 2oyn s ARG 71 CO 0.06 0.09 -0.24 -0.06 -0.68 0.00 0.00 175.30 174.47 2oyn s PHE 72 N 0.72 2.08 0.09 -0.53 0.08 0.94 -5.00 117.98 116.36 2oyn s PHE 72 Ca 0.37 -0.39 0.04 0.00 0.12 0.00 0.00 56.93 57.06 2oyn s PHE 72 Cb -0.18 -1.20 -0.04 0.00 -0.57 0.00 0.00 43.02 41.03 2oyn s PHE 72 CO 0.18 0.17 0.06 -0.06 -0.10 0.00 0.00 175.22 175.47 2oyn s PHE 73 N -0.91 3.13 0.88 0.36 0.08 -1.26 -0.93 117.98 119.32 2oyn s PHE 73 Ca 0.10 0.04 -0.11 0.00 0.12 0.00 0.00 56.93 57.09 2oyn s PHE 73 Cb -0.10 -1.59 0.12 0.00 -0.57 0.00 0.00 43.02 40.89 2oyn s PHE 73 CO 0.03 0.51 1.15 0.20 -0.10 0.00 0.00 175.22 177.01 2oyn s GLY 74 N -2.39 1.75 0.20 4.36 0.00 -1.25 -4.79 107.32 105.21 2oyn s GLY 74 Ca 0.28 0.58 0.09 0.00 0.00 0.00 0.00 44.72 45.67 2oyn s GLY 74 CO 0.21 0.98 -0.18 -1.34 0.00 0.00 0.00 173.10 172.78 2oyn s VAL 75 N -2.62 1.96 -0.11 1.40 -7.23 -1.26 -2.56 120.40 109.97 2oyn s VAL 75 Ca 0.67 -2.13 -0.15 0.00 -1.81 0.00 0.00 61.98 58.56 2oyn s VAL 75 Cb -0.23 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 2oyn s VAL 75 CO 0.57 -0.42 0.35 -0.54 -0.31 0.00 0.00 175.10 174.74 2oyn s LYS 76 N -3.25 4.15 -0.06 4.82 1.02 0.26 -0.36 119.74 126.31 2oyn s LYS 76 Ca 0.21 0.23 0.02 0.00 0.02 0.00 0.00 55.97 56.46 2oyn s LYS 76 Cb -0.04 -3.37 0.01 0.00 -0.52 0.00 0.00 37.83 33.92 2oyn s LYS 76 CO 0.09 0.36 -0.13 0.08 -0.92 0.00 0.00 175.35 174.83 2oyn s VAL 77 N 0.06 1.15 -0.18 3.17 1.01 0.94 -1.40 120.40 125.15 2oyn s VAL 77 Ca 0.20 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2oyn s VAL 77 Cb -0.14 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 35.23 2oyn s VAL 77 CO 0.07 0.36 -0.07 -0.22 0.00 0.00 0.00 175.10 175.24 2oyn s LEU 78 N 0.60 1.91 0.39 3.92 2.96 -0.06 -0.40 118.68 128.00 2oyn s LEU 78 Ca -0.14 -0.79 -0.27 0.00 -0.22 0.00 0.00 54.13 52.71 2oyn s LEU 78 Cb -0.15 -1.04 -0.10 0.00 0.50 0.00 0.00 46.19 45.40 2oyn s LEU 78 CO 0.04 -0.18 1.44 -2.84 -1.32 0.00 0.00 176.35 173.49 2oyn s PRO 79 N 1.54 4.01 0.21 0.98 0.02 -1.26 -0.90 135.00 139.60 2oyn s PRO 79 Ca -0.01 2.47 -0.04 0.00 0.02 0.00 0.00 61.00 63.44 2oyn s PRO 79 Cb -0.16 -2.88 -0.03 0.00 0.02 0.00 0.00 34.50 31.45 2oyn s PRO 79 CO -0.08 -0.57 0.23 0.96 -0.33 0.00 0.00 177.00 177.21 2oyn s ILE 80 N -1.15 0.00 -0.05 2.83 -4.36 -0.39 -4.70 121.20 113.37 2oyn s ILE 80 Ca 0.55 -1.83 -0.02 0.00 -0.26 0.00 0.00 60.65 59.09 2oyn s ILE 80 Cb -0.45 -2.41 -0.04 0.00 1.25 0.00 0.00 42.46 40.82 2oyn s ILE 80 CO 0.59 -0.01 0.05 -0.54 0.24 0.00 0.00 174.94 175.28 2oyn s LYS 81 N -4.12 3.06 -0.20 0.37 -0.14 -0.48 -1.27 119.74 116.95 2oyn s LYS 81 Ca 0.34 -0.41 -0.08 0.00 -1.36 0.00 0.00 55.97 54.46 2oyn s LYS 81 Cb 0.05 -2.86 -0.04 0.00 -1.68 0.00 0.00 37.83 33.30 2oyn s LYS 81 CO 0.11 0.69 0.08 0.42 -0.76 0.00 0.00 175.35 175.88 2oyn s ILE 82 N -1.03 4.77 -0.25 2.17 1.01 0.13 0.07 121.20 128.07 2oyn s ILE 82 Ca 0.17 -0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.74 2oyn s ILE 82 Cb -0.12 -3.17 -0.00 0.00 0.01 0.00 0.00 42.46 39.18 2oyn s ILE 82 CO 0.07 0.42 -0.00 -0.76 0.00 0.00 0.00 174.94 174.67 2oyn s LEU 83 N 0.72 3.24 -0.24 2.97 1.43 0.13 -0.70 118.68 126.23 2oyn s LEU 83 Ca 0.04 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2oyn s LEU 83 Cb -0.13 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.38 2oyn s LEU 83 CO 0.02 -0.08 0.01 -0.63 0.23 0.00 0.00 176.35 175.90 2oyn s ILE 84 N 1.47 1.04 0.00 -0.59 1.01 -0.74 -1.89 121.20 121.51 2oyn s ILE 84 Ca 0.04 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.66 2oyn s ILE 84 Cb -0.15 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.81 2oyn s ILE 84 CO -0.01 -0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.27 2oyn n GLY 85 N 4.84 3.15 1.38 6.18 0.00 -1.26 -1.65 105.19 117.83 2oyn n GLY 85 Ca -0.08 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.87 2oyn n GLY 85 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2oyn n ASN 86 N 5.96 4.01 -4.86 1.61 6.94 -1.26 -4.95 115.26 122.71 2oyn n ASN 86 Ca 0.00 -2.10 -0.27 0.00 -0.02 0.00 0.00 54.58 52.19 2oyn n ASN 86 Cb 0.00 -0.50 -0.04 0.00 -2.36 0.00 0.00 39.78 36.88 2oyn n ASN 86 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2oyn s LYS 87 N -1.23 3.15 0.09 -3.83 -0.14 -0.66 -5.13 119.74 111.99 2oyn s LYS 87 Ca 0.48 -0.73 0.06 0.00 -1.36 0.00 0.00 55.97 54.43 2oyn s LYS 87 Cb 0.27 -2.80 -0.03 0.00 -1.68 0.00 0.00 37.83 33.58 2oyn s LYS 87 CO 0.30 0.51 -0.16 0.15 -0.76 0.00 0.00 175.35 175.39 2oyn s LYS 88 N -3.10 0.94 -0.02 1.68 1.02 -1.26 -1.80 119.74 117.20 2oyn s LYS 88 Ca 0.33 -1.05 0.01 0.00 0.02 0.00 0.00 55.97 55.27 2oyn s LYS 88 Cb -0.11 -1.03 0.01 0.00 -0.52 0.00 0.00 37.83 36.19 2oyn s LYS 88 CO 0.26 0.23 -0.03 0.42 -0.92 0.00 0.00 175.35 175.30 2oyn s ILE 89 N -1.31 0.37 0.33 2.17 1.09 0.12 -4.94 121.20 119.03 2oyn s ILE 89 Ca 0.02 -0.09 -0.29 0.00 -1.10 0.00 0.00 60.65 59.19 2oyn s ILE 89 Cb -0.10 -0.38 -0.11 0.00 -1.06 0.00 0.00 42.46 40.81 2oyn s ILE 89 CO 0.03 0.16 1.49 -1.81 -0.10 0.00 0.00 174.94 174.70 2oyn s ASP 90 N 0.57 6.44 0.00 3.58 1.01 -1.26 0.21 116.67 127.21 2oyn s ASP 90 Ca -0.06 2.93 0.00 0.00 0.71 0.00 0.00 52.55 56.13 2oyn s ASP 90 Cb -0.10 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.18 2oyn s ASP 90 CO -0.01 -0.82 0.00 0.61 0.21 0.00 0.00 175.17 175.17 2oyn n GLY 91 N 1.16 2.89 3.45 0.21 0.00 -0.40 -4.24 105.19 108.26 2oyn n GLY 91 Ca 0.03 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 2oyn n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oyn s ALA 92 N -1.23 -1.51 -0.00 4.61 0.00 -0.55 -1.26 121.76 121.82 2oyn s ALA 92 Ca 0.00 1.11 -0.23 0.00 0.00 0.00 0.00 51.96 52.84 2oyn s ALA 92 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 2oyn s ALA 92 CO 0.00 -0.34 0.68 0.42 0.00 0.00 0.00 175.76 176.52 2oyn s ILE 93 N -1.11 4.88 -0.11 0.00 1.01 -0.08 -0.89 121.20 124.90 2oyn s ILE 93 Ca -0.11 1.42 0.03 0.00 0.00 0.00 0.00 60.65 62.00 2oyn s ILE 93 Cb -0.02 -4.02 0.01 0.00 0.01 0.00 0.00 42.46 38.44 2oyn s ILE 93 CO 0.08 0.36 -0.22 -0.69 0.00 0.00 0.00 174.94 174.47 2oyn s VAL 94 N 0.11 1.97 -0.05 2.92 1.01 -0.58 -0.88 120.40 124.90 2oyn s VAL 94 Ca 0.35 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.41 2oyn s VAL 94 Cb -0.19 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.47 2oyn s VAL 94 CO 0.19 0.54 -0.14 -0.69 0.00 0.00 0.00 175.10 175.00 2oyn s VAL 95 N 0.58 1.21 0.52 2.92 1.01 -0.49 -4.25 120.40 121.89 2oyn s VAL 95 Ca -0.14 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.06 2oyn s VAL 95 Cb -0.17 -1.07 -0.07 0.00 0.00 0.00 0.00 36.38 35.08 2oyn s VAL 95 CO 0.04 0.36 1.12 -2.65 0.00 0.00 0.00 175.10 173.98 2oyn n PRO 96 N 3.44 1.38 0.22 2.72 -0.02 -1.26 -0.58 135.00 140.90 2oyn n PRO 96 Ca -0.20 0.51 0.07 0.00 -2.02 0.00 0.00 63.50 61.86 2oyn n PRO 96 Cb 0.53 -2.28 0.51 0.00 -0.02 0.00 0.00 33.50 32.24 2oyn n PRO 96 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2oyn h LYS 97 N 1.24 0.00 -5.21 -0.52 2.10 -1.81 -3.40 116.57 108.97 2oyn h LYS 97 Ca -0.48 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.50 2oyn h LYS 97 Cb 1.33 0.00 -0.34 0.00 -0.90 0.00 0.00 32.23 32.32 2oyn h LYS 97 CO 0.55 0.25 -0.87 0.15 -2.00 0.00 0.00 179.45 177.53 2oyn s LYS 98 N -4.21 2.96 0.03 0.07 1.02 -1.26 -4.98 119.74 113.37 2oyn s LYS 98 Ca -0.03 -0.84 0.01 0.00 0.02 0.00 0.00 55.97 55.14 2oyn s LYS 98 Cb 0.14 -2.34 -0.02 0.00 -0.52 0.00 0.00 37.83 35.09 2oyn s LYS 98 CO 0.67 0.05 -0.05 0.95 -0.92 0.00 0.00 175.35 176.05 2oyn s THR 99 N 0.65 0.33 -0.88 2.17 -4.23 -1.26 -5.04 115.64 107.39 2oyn s THR 99 Ca -0.11 -0.87 0.18 0.00 -1.18 0.00 0.00 61.69 59.71 2oyn s THR 99 Cb -0.16 -0.42 0.16 0.00 1.34 0.00 0.00 72.50 73.42 2oyn s THR 99 CO 0.02 -0.35 1.57 -1.22 -0.54 0.00 0.00 174.62 174.09 2oyn n TYR 100 N 1.76 0.19 -3.61 3.99 4.01 -1.26 -4.87 117.16 117.37 2oyn n TYR 100 Ca -0.22 0.07 -0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2oyn n TYR 100 Cb 0.55 -0.62 -0.01 0.00 -0.31 0.00 0.00 39.34 38.95 2oyn n TYR 100 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2oyn s HIS 101 N -3.07 -0.02 0.27 -0.72 -3.43 -1.26 -5.16 115.29 101.90 2oyn s HIS 101 Ca 0.07 0.01 -0.28 0.00 -0.80 0.00 0.00 55.06 54.06 2oyn s HIS 101 Cb 0.10 0.51 -0.09 0.00 -1.43 0.00 0.00 32.58 31.67 2oyn s HIS 101 CO 0.33 -0.05 0.93 0.45 -2.00 0.00 0.00 174.74 174.40 2oyn s SER 102 N -2.41 7.51 0.24 7.38 0.15 -1.26 -5.07 113.70 120.24 2oyn s SER 102 Ca 0.13 1.89 0.10 0.00 0.70 0.00 0.00 55.95 58.76 2oyn s SER 102 Cb 0.02 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 2oyn s SER 102 CO -0.04 0.07 -0.08 -0.55 1.20 0.00 0.00 173.24 173.84 2oyn s SER 103 N -1.36 4.21 0.00 5.45 0.15 -1.26 -4.80 113.70 116.10 2oyn s SER 103 Ca 0.45 -0.71 0.29 0.00 0.70 0.00 0.00 55.95 56.68 2oyn s SER 103 Cb -0.23 -0.67 1.36 0.00 -1.71 0.00 0.00 66.02 64.77 2oyn s SER 103 CO 0.28 0.05 1.93 -1.84 1.20 0.00 0.00 173.24 174.86 2oyn n GLU 104 N -0.47 0.98 -3.97 5.44 0.00 -1.26 -0.59 120.64 120.77 2oyn n GLU 104 Ca -0.08 -0.33 -0.35 0.00 0.00 0.00 0.00 57.16 56.40 2oyn n GLU 104 Cb 0.58 -1.49 -0.10 0.00 0.00 0.00 0.00 31.44 30.43 2oyn n GLU 104 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2oyn s ILE 105 N -2.25 4.85 0.27 3.84 -1.09 -1.26 -0.46 121.20 125.10 2oyn s ILE 105 Ca 0.36 -0.01 0.12 0.00 -2.23 0.00 0.00 60.65 58.88 2oyn s ILE 105 Cb 0.21 -3.19 -0.05 0.00 -1.58 0.00 0.00 42.46 37.85 2oyn s ILE 105 CO 0.42 0.45 -0.20 0.27 -1.23 0.00 0.00 174.94 174.65 2oyn s ILE 106 N 0.40 2.47 -0.09 2.92 -4.36 -0.19 -4.95 121.20 117.39 2oyn s ILE 106 Ca 0.04 -2.39 0.03 0.00 -0.26 0.00 0.00 60.65 58.07 2oyn s ILE 106 Cb -0.12 -2.29 -0.01 0.00 1.25 0.00 0.00 42.46 41.29 2oyn s ILE 106 CO 0.00 -0.39 -0.20 -1.61 0.24 0.00 0.00 174.94 172.98 2oyn s GLU 107 N -3.47 2.98 0.07 0.37 2.02 -1.26 -0.77 118.70 118.63 2oyn s GLU 107 Ca 0.29 -0.81 0.09 0.00 0.02 0.00 0.00 54.97 54.57 2oyn s GLU 107 Cb -0.05 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 2oyn s GLU 107 CO 0.15 0.28 -0.25 0.96 0.02 0.00 0.00 175.26 176.42 2oyn s ILE 108 N 0.12 2.31 0.16 -1.63 -4.36 -0.31 -1.52 121.20 115.97 2oyn s ILE 108 Ca -0.10 -1.44 0.08 0.00 -0.26 0.00 0.00 60.65 58.93 2oyn s ILE 108 Cb -0.16 -1.95 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 2oyn s ILE 108 CO 0.06 0.29 -0.08 0.27 0.24 0.00 0.00 174.94 175.72 2oyn s ILE 109 N -0.89 3.34 0.15 8.37 -4.36 -0.07 -0.46 121.20 127.28 2oyn s ILE 109 Ca 0.13 -1.52 -0.19 0.00 -0.26 0.00 0.00 60.65 58.81 2oyn s ILE 109 Cb -0.10 -2.64 0.05 0.00 1.25 0.00 0.00 42.46 41.02 2oyn s ILE 109 CO 0.04 -0.06 0.51 0.00 0.24 0.00 0.00 174.94 175.67 2oyn s ALA 110 N -1.60 -1.22 -2.00 2.27 0.00 -1.26 -1.48 121.76 116.48 2oyn s ALA 110 Ca 0.25 0.14 0.13 0.00 0.00 0.00 0.00 51.96 52.48 2oyn s ALA 110 Cb -0.09 0.80 0.78 0.00 0.00 0.00 0.00 23.12 24.61 2oyn s ALA 110 CO 0.15 -0.73 1.48 -0.35 0.00 0.00 0.00 175.76 176.31 2oyn n PRO 111 N -0.31 0.97 -4.06 0.00 -0.04 -1.26 0.03 135.00 130.32 2oyn n PRO 111 Ca -0.15 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.23 2oyn n PRO 111 Cb 0.64 -1.21 -0.10 0.00 -0.04 0.00 0.00 33.50 32.79 2oyn n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2oyn s MET 112 N -2.00 0.70 -0.47 0.54 0.23 -1.26 -4.31 119.30 112.72 2oyn s MET 112 Ca 0.20 -1.21 -0.29 0.00 -1.03 0.00 0.00 55.69 53.36 2oyn s MET 112 Cb 0.09 0.24 0.03 0.00 -1.53 0.00 0.00 34.83 33.65 2oyn s MET 112 CO 0.15 -0.16 1.19 0.21 -2.03 0.00 0.00 175.02 174.39 2oyn s LYS 113 N -3.93 3.69 0.16 3.16 2.20 -1.26 -4.68 119.74 119.09 2oyn s LYS 113 Ca 0.09 0.63 -0.09 0.00 -0.36 0.00 0.00 55.97 56.24 2oyn s LYS 113 Cb 0.07 -3.93 0.02 0.00 -1.51 0.00 0.00 37.83 32.48 2oyn s LYS 113 CO -0.08 -1.43 1.52 -0.07 -0.36 0.00 0.00 175.35 174.92 2oyn h LEU 114 N 11.44 0.93 -0.80 5.43 3.38 -1.98 -0.98 115.31 132.74 2oyn h LEU 114 Ca -0.24 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 57.39 2oyn h LEU 114 Cb 1.07 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 2oyn h LEU 114 CO 1.12 1.18 0.48 0.03 0.09 0.00 0.00 178.44 181.35 2oyn h ARG 115 N 0.73 0.84 0.05 1.13 3.08 -1.90 -0.53 114.38 117.79 2oyn h ARG 115 Ca 0.07 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2oyn h ARG 115 Cb 0.92 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2oyn h ARG 115 CO 0.09 0.56 -0.03 1.49 -1.07 0.00 0.00 179.97 181.01 2oyn h GLU 116 N 0.87 -0.07 -0.81 0.04 4.81 -1.82 0.15 114.58 117.75 2oyn h GLU 116 Ca 0.36 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.65 2oyn h GLU 116 Cb 0.21 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 2oyn h GLU 116 CO -0.19 0.53 0.53 0.37 -0.73 0.00 0.00 179.01 179.52 2oyn h GLN 117 N -0.76 0.88 -0.12 1.92 5.75 -1.13 -3.20 115.11 118.45 2oyn h GLN 117 Ca -0.01 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2oyn h GLN 117 Cb 0.63 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.98 2oyn h GLN 117 CO 0.01 0.58 0.00 1.19 -2.65 0.00 0.00 178.83 177.97 2oyn n PHE 118 N -4.48 0.16 -3.74 3.99 3.72 -0.21 -5.01 117.46 111.89 2oyn n PHE 118 Ca 0.12 -0.48 -0.23 0.00 -0.05 0.00 0.00 57.45 56.81 2oyn n PHE 118 Cb 0.19 -0.04 0.02 0.00 -0.94 0.00 0.00 39.48 38.71 2oyn n PHE 118 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2oyn n ASN 119 N -0.12 -1.33 -4.73 4.37 5.15 0.41 -4.96 115.26 114.06 2oyn n ASN 119 Ca 0.04 -0.87 -0.39 0.00 -0.60 0.00 0.00 54.58 52.76 2oyn n ASN 119 Cb 0.31 -3.82 -0.05 0.00 -0.53 0.00 0.00 39.78 35.68 2oyn n ASN 119 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2oyn s LEU 120 N -6.70 4.34 0.31 1.20 1.43 -0.55 -5.03 118.68 113.68 2oyn s LEU 120 Ca 0.04 1.07 0.11 0.00 -1.03 0.00 0.00 54.13 54.31 2oyn s LEU 120 Cb -0.01 -2.91 -0.05 0.00 0.03 0.00 0.00 46.19 43.24 2oyn s LEU 120 CO 0.83 -0.00 -0.12 -0.54 0.23 0.00 0.00 176.35 176.74 2oyn s LYS 121 N 0.40 1.83 0.20 1.70 1.02 -1.26 -4.75 119.74 118.88 2oyn s LYS 121 Ca 0.32 -1.79 -0.32 0.00 0.02 0.00 0.00 55.97 54.19 2oyn s LYS 121 Cb -0.17 -1.80 -0.14 0.00 -0.52 0.00 0.00 37.83 35.20 2oyn s LYS 121 CO 0.15 0.25 1.51 -0.25 -0.92 0.00 0.00 175.35 176.09 2oyn n ASP 122 N -0.74 2.99 0.00 2.83 9.92 -1.26 -1.73 116.55 128.55 2oyn n ASP 122 Ca -0.05 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.32 2oyn n ASP 122 Cb 0.61 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 2oyn n ASP 122 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2oyn n GLY 123 N 2.80 3.07 3.76 0.44 0.00 0.08 -4.97 105.19 110.37 2oyn n GLY 123 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2oyn n GLY 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oyn s ASP 124 N -0.45 5.60 -0.12 1.61 1.01 -0.71 -4.69 116.67 118.93 2oyn s ASP 124 Ca 0.00 2.76 -0.01 0.00 0.71 0.00 0.00 52.55 56.01 2oyn s ASP 124 Cb 0.00 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 2oyn s ASP 124 CO 0.00 -1.35 -0.07 -0.69 0.21 0.00 0.00 175.17 173.27 2oyn s VAL 125 N -1.29 3.60 0.44 -1.27 1.01 -1.26 -0.38 120.40 121.25 2oyn s VAL 125 Ca 0.67 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.20 2oyn s VAL 125 Cb -0.40 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 2oyn s VAL 125 CO 0.49 0.53 0.13 0.27 0.00 0.00 0.00 175.10 176.52 2oyn s ILE 126 N 0.01 0.56 0.12 2.22 -4.36 -0.19 -4.96 121.20 114.60 2oyn s ILE 126 Ca -0.01 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.44 2oyn s ILE 126 Cb -0.14 -2.23 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 2oyn s ILE 126 CO 0.03 0.00 -0.15 -0.54 0.24 0.00 0.00 174.94 174.53 2oyn s LYS 127 N -3.68 1.02 0.07 0.37 1.02 -0.79 -0.71 119.74 117.04 2oyn s LYS 127 Ca 0.18 -1.22 0.07 0.00 0.02 0.00 0.00 55.97 55.02 2oyn s LYS 127 Cb 0.01 -0.94 -0.03 0.00 -0.52 0.00 0.00 37.83 36.35 2oyn s LYS 127 CO 0.13 0.19 -0.18 0.96 -0.92 0.00 0.00 175.35 175.53 2oyn s ILE 128 N -2.00 1.44 -0.08 2.17 -4.36 -0.66 0.18 121.20 117.89 2oyn s ILE 128 Ca 0.08 -1.30 0.04 0.00 -0.26 0.00 0.00 60.65 59.21 2oyn s ILE 128 Cb -0.06 -1.31 0.00 0.00 1.25 0.00 0.00 42.46 42.35 2oyn s ILE 128 CO 0.03 -0.03 -0.22 -0.22 0.24 0.00 0.00 174.94 174.75 2oyn s LEU 129 N -1.55 2.00 -0.10 0.37 0.20 0.11 -1.19 118.68 118.51 2oyn s LEU 129 Ca 0.04 -0.49 0.02 0.00 0.69 0.00 0.00 54.13 54.38 2oyn s LEU 129 Cb -0.09 -1.27 -0.01 0.00 -0.43 0.00 0.00 46.19 44.38 2oyn s LEU 129 CO 0.03 0.15 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.44 2oyn s ILE 130 N 0.31 2.75 -0.17 6.68 1.01 0.04 -1.38 121.20 130.44 2oyn s ILE 130 Ca -0.15 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 2oyn s ILE 130 Cb -0.17 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 2oyn s ILE 130 CO 0.07 0.55 -0.02 -0.75 0.00 0.00 0.00 174.94 174.79 2oyn s LYS 131 N 0.07 3.72 0.00 2.79 2.20 -1.26 -0.97 119.74 126.29 2oyn s LYS 131 Ca -0.07 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 2oyn s LYS 131 Cb -0.15 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 2oyn s LYS 131 CO 0.05 0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.67 2oyn n GLY 132 N 3.63 -0.68 0.72 5.54 0.00 0.53 -4.98 105.19 109.95 2oyn n GLY 132 Ca -0.17 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.10 2oyn n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2oyn n ASP 133 N -1.00 -0.36 0.31 1.61 5.68 -1.26 -4.88 116.55 116.65 2oyn n ASP 133 Ca 0.00 -1.37 0.21 0.00 -0.50 0.00 0.00 54.79 53.13 2oyn n ASP 133 Cb 0.00 0.63 1.10 0.00 -1.14 0.00 0.00 41.12 41.71 2oyn n ASP 133 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2oyn h LYS 134 N 0.00 0.00 -0.48 0.11 2.10 -1.48 -1.16 116.57 115.67 2oyn h LYS 134 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2oyn h LYS 134 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2oyn h LYS 134 CO 0.08 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.28 2oyn n ASP 135 N -2.98 3.31 -0.08 7.07 8.00 -1.26 -4.84 116.55 125.77 2oyn n ASP 135 Ca -0.02 -1.97 0.01 0.00 0.71 0.00 0.00 54.79 53.52 2oyn n ASP 135 Cb 0.09 -0.32 0.01 0.00 -0.02 0.00 0.00 41.12 40.88 2oyn n ASP 135 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19