#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfo s SER 2 N 0.00 -0.56 -0.28 1.61 0.15 -1.26 -5.18 113.70 108.19 1wfo s SER 2 Ca 0.00 1.02 -0.32 0.00 0.70 0.00 0.00 55.95 57.35 1wfo s SER 2 Cb 0.00 1.09 0.18 0.00 -1.71 0.00 0.00 66.02 65.58 1wfo s SER 2 CO 0.00 -0.17 1.35 -0.44 1.20 0.00 0.00 173.24 175.18 1wfo s SER 3 N 0.58 -0.04 0.00 5.45 0.01 -1.26 -5.16 113.70 113.28 1wfo s SER 3 Ca -0.01 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1wfo s SER 3 Cb -0.05 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1wfo s SER 3 CO -0.08 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1wfo n GLY 4 N 0.33 2.99 0.00 3.44 0.00 -1.26 -5.15 105.19 105.54 1wfo n GLY 4 Ca 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1wfo n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfo n SER 5 N 0.00 0.00 -4.03 1.61 7.64 -1.26 -5.17 113.62 112.40 1wfo n SER 5 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1wfo n SER 5 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1wfo n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfo s SER 6 N 0.00 0.66 0.32 6.43 0.15 -1.26 -5.17 113.70 114.83 1wfo s SER 6 Ca 0.00 -0.53 0.04 0.00 0.70 0.00 0.00 55.95 56.16 1wfo s SER 6 Cb 0.00 0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.33 1wfo s SER 6 CO 0.00 -0.23 0.18 -0.83 1.20 0.00 0.00 173.24 173.56 1wfo s GLY 7 N -1.53 2.17 0.04 9.45 0.00 -1.26 -5.17 107.32 111.02 1wfo s GLY 7 Ca -0.12 -1.75 0.04 0.00 0.00 0.00 0.00 44.72 42.89 1wfo s GLY 7 CO -0.00 -1.59 -0.11 1.09 0.00 0.00 0.00 173.10 172.49 1wfo s ARG 8 N -3.74 0.70 0.14 2.90 3.03 -1.26 -5.03 118.95 115.69 1wfo s ARG 8 Ca 0.35 -0.73 0.00 0.00 2.03 0.00 0.00 55.73 57.39 1wfo s ARG 8 Cb 0.04 -0.62 0.00 0.00 -1.03 0.00 0.00 34.95 33.34 1wfo s ARG 8 CO 0.19 0.14 0.00 -0.89 -1.13 0.00 0.00 175.30 173.61 1wfo n ILE 9 N 1.75-11.61 0.00 4.99 2.08 -1.26 -5.07 119.36 110.24 1wfo n ILE 9 Ca -0.20 2.81 0.00 0.00 0.56 0.00 0.00 62.75 65.92 1wfo n ILE 9 Cb 0.55 -5.09 0.00 0.00 -0.75 0.00 0.00 39.64 34.35 1wfo n ILE 9 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1wfo n GLY 10 N 1.56 -2.09 3.84 7.39 0.00 -1.26 -5.16 105.19 109.47 1wfo n GLY 10 Ca 0.00 1.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.70 1wfo n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wfo s ASP 11 N 0.00 6.77 0.39 1.61 2.15 -1.26 -5.07 116.67 121.27 1wfo s ASP 11 Ca 0.00 1.56 0.01 0.00 0.43 0.00 0.00 52.55 54.55 1wfo s ASP 11 Cb 0.00 -2.50 -0.02 0.00 -0.30 0.00 0.00 42.92 40.11 1wfo s ASP 11 CO 0.00 -0.44 0.60 -0.83 -0.17 0.00 0.00 175.17 174.33 1wfo s GLY 12 N -2.62 1.47 -0.34 2.66 0.00 -1.26 -5.09 107.32 102.15 1wfo s GLY 12 Ca 0.59 -1.04 -0.00 0.00 0.00 0.00 0.00 44.72 44.28 1wfo s GLY 12 CO 0.22 -0.92 0.24 -0.45 0.00 0.00 0.00 173.10 172.19 1wfo s SER 13 N -4.14 2.51 0.67 1.64 0.15 -1.26 -5.14 113.70 108.14 1wfo s SER 13 Ca 0.44 -1.71 -0.12 0.00 0.70 0.00 0.00 55.95 55.27 1wfo s SER 13 Cb -0.10 -0.06 -0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1wfo s SER 13 CO 0.36 -0.33 1.06 -2.16 1.20 0.00 0.00 173.24 173.37 1wfo s PRO 14 N 1.51 3.03 0.24 5.44 0.04 -1.26 -5.08 135.00 138.92 1wfo s PRO 14 Ca 0.15 0.99 0.04 0.00 0.04 0.00 0.00 61.00 62.23 1wfo s PRO 14 Cb -0.19 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1wfo s PRO 14 CO -0.11 -1.03 -0.02 -1.12 0.04 0.00 0.00 177.00 174.76 1wfo s SER 15 N -3.61 2.02 0.20 6.66 0.01 -1.26 -5.13 113.70 112.59 1wfo s SER 15 Ca 0.59 -1.21 -0.30 0.00 1.31 0.00 0.00 55.95 56.34 1wfo s SER 15 Cb -0.14 -0.03 -0.08 0.00 0.21 0.00 0.00 66.02 65.98 1wfo s SER 15 CO 0.51 -0.48 1.04 -1.00 0.41 0.00 0.00 173.24 173.73 1wfo s HIS 16 N -3.34 3.71 0.51 2.43 3.76 -1.26 -5.02 115.29 116.09 1wfo s HIS 16 Ca 0.28 1.72 -0.19 0.00 -0.15 0.00 0.00 55.06 56.73 1wfo s HIS 16 Cb 0.05 -3.18 -0.07 0.00 1.11 0.00 0.00 32.58 30.49 1wfo s HIS 16 CO 0.09 -0.24 1.04 -1.25 -0.85 0.00 0.00 174.74 173.54 1wfo s PRO 17 N -0.71 3.68 -0.29 8.40 0.04 -1.26 -4.98 135.00 139.89 1wfo s PRO 17 Ca 0.46 1.31 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 1wfo s PRO 17 Cb -0.28 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.18 1wfo s PRO 17 CO 0.35 -0.52 1.34 -1.25 0.04 0.00 0.00 177.00 176.95 1wfo s PRO 18 N -3.48 3.91 0.11 0.56 0.04 -1.26 -4.93 135.00 129.95 1wfo s PRO 18 Ca 0.66 1.30 -0.33 0.00 0.04 0.00 0.00 61.00 62.67 1wfo s PRO 18 Cb -0.16 -3.90 -0.18 0.00 0.04 0.00 0.00 34.50 30.30 1wfo s PRO 18 CO 0.25 -1.14 0.78 -0.89 0.04 0.00 0.00 177.00 176.04 1wfo n ILE 19 N 6.22 1.10 -3.15 0.56 5.41 -1.26 -4.94 119.36 123.30 1wfo n ILE 19 Ca 0.15 -0.27 0.06 0.00 1.00 0.00 0.00 62.75 63.68 1wfo n ILE 19 Cb 0.46 -0.03 -0.02 0.00 -0.71 0.00 0.00 39.64 39.34 1wfo n ILE 19 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1wfo s LEU 20 N 1.61 -0.24 1.09 1.39 1.43 -1.26 -5.14 118.68 117.56 1wfo s LEU 20 Ca 0.76 0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.83 1wfo s LEU 20 Cb -1.07 1.20 0.09 0.00 0.03 0.00 0.00 46.19 46.44 1wfo s LEU 20 CO 0.56 -0.04 -0.12 -0.62 0.23 0.00 0.00 176.35 176.36 1wfo n GLU 21 N 5.45 -1.61 -2.36 1.70 1.02 -1.26 -4.74 120.64 118.83 1wfo n GLU 21 Ca -0.08 -0.46 -0.40 0.00 -0.02 0.00 0.00 57.16 56.19 1wfo n GLU 21 Cb 0.54 -1.57 -0.01 0.00 -0.02 0.00 0.00 31.44 30.38 1wfo n GLU 21 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1wfo n ARG 22 N -1.51 2.85 -0.07 3.49 0.00 -1.26 -4.66 116.66 115.50 1wfo n ARG 22 Ca 0.01 -3.03 -0.06 0.00 -0.00 0.00 0.00 57.85 54.77 1wfo n ARG 22 Cb 0.59 -3.50 -0.04 0.00 0.00 0.00 0.00 32.46 29.51 1wfo n ARG 22 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1wfo h THR 23 N 5.47 0.35 -2.43 5.15 2.02 -1.96 -3.48 112.91 118.03 1wfo h THR 23 Ca 0.42 -1.33 -0.44 0.00 0.77 0.00 0.00 66.41 65.83 1wfo h THR 23 Cb 0.85 0.72 0.05 0.00 -1.74 0.00 0.00 68.15 68.03 1wfo h THR 23 CO 1.48 0.12 -0.01 -0.76 0.37 0.00 0.00 175.52 176.72 1wfo s LEU 24 N -8.30 3.21 -0.17 2.58 2.01 -1.26 -5.09 118.68 111.67 1wfo s LEU 24 Ca -0.12 -0.08 -0.04 0.00 0.01 0.00 0.00 54.13 53.90 1wfo s LEU 24 Cb 0.01 -2.70 -0.03 0.00 0.01 0.00 0.00 46.19 43.49 1wfo s LEU 24 CO 0.25 -1.27 -0.03 -1.81 1.01 0.00 0.00 176.35 174.50 1wfo s ASP 25 N -4.48 4.79 0.00 2.29 1.01 -1.26 -4.87 116.67 114.14 1wfo s ASP 25 Ca 0.59 -0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.70 1wfo s ASP 25 Cb -0.09 -1.79 0.00 0.00 1.01 0.00 0.00 42.92 42.04 1wfo s ASP 25 CO 0.39 0.14 0.00 -0.90 0.21 0.00 0.00 175.17 175.01 1wfo n ASP 26 N 3.73 0.00 -4.26 0.27 5.68 -1.25 -5.14 116.55 115.58 1wfo n ASP 26 Ca -0.17 0.00 -0.34 0.00 -0.50 0.00 0.00 54.79 53.77 1wfo n ASP 26 Cb 0.52 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.59 1wfo n ASP 26 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1wfo n VAL 27 N -0.16 0.10 -1.07 2.12 0.24 -1.26 -4.49 118.33 113.81 1wfo n VAL 27 Ca 0.00 -0.32 -0.13 0.00 -2.04 0.00 0.00 64.34 61.85 1wfo n VAL 27 Cb 0.00 -0.38 0.10 0.00 -1.47 0.00 0.00 33.84 32.09 1wfo n VAL 27 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1wfo n PRO 28 N 0.00 -1.23 -2.29 7.34 -0.04 -1.23 -4.85 135.00 132.71 1wfo n PRO 28 Ca 0.04 -0.81 -0.13 0.00 -0.04 0.00 0.00 63.50 62.55 1wfo n PRO 28 Cb 0.54 -0.64 0.05 0.00 -0.04 0.00 0.00 33.50 33.41 1wfo n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wfo n GLY 29 N 0.35 1.90 3.75 0.55 0.00 -1.21 -3.22 105.19 107.32 1wfo n GLY 29 Ca 0.07 -2.19 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 1wfo n GLY 29 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfo s PRO 30 N -3.75 4.64 -0.47 1.61 0.04 -1.26 -4.35 135.00 131.45 1wfo s PRO 30 Ca 0.40 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 62.92 1wfo s PRO 30 Cb -0.03 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.30 1wfo s PRO 30 CO 0.26 0.18 1.44 -1.25 0.04 0.00 0.00 177.00 177.67 1wfo s PRO 31 N -1.09 3.43 0.46 0.56 0.04 -1.26 -4.69 135.00 132.46 1wfo s PRO 31 Ca 0.46 0.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.23 1wfo s PRO 31 Cb -0.31 -4.08 -0.02 0.00 0.04 0.00 0.00 34.50 30.13 1wfo s PRO 31 CO 0.39 -1.76 0.73 0.00 0.04 0.00 0.00 177.00 176.39 1wfo s MET 32 N 5.25 3.31 0.00 4.56 0.23 -1.25 -4.54 119.30 126.86 1wfo s MET 32 Ca 0.59 -0.11 0.00 0.00 -1.03 0.00 0.00 55.69 55.14 1wfo s MET 32 Cb -0.13 -2.46 0.00 0.00 -1.53 0.00 0.00 34.83 30.71 1wfo s MET 32 CO 0.29 -0.23 0.00 0.41 -2.03 0.00 0.00 175.02 173.47 1wfo n GLY 33 N -2.17 0.70 3.56 3.16 0.00 -1.26 -2.49 105.19 106.69 1wfo n GLY 33 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1wfo n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wfo s ILE 34 N -2.34 4.86 0.06 -0.61 -1.09 -1.26 -3.90 121.20 116.92 1wfo s ILE 34 Ca 0.00 0.56 0.02 0.00 -2.23 0.00 0.00 60.65 59.00 1wfo s ILE 34 Cb 0.00 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.73 1wfo s ILE 34 CO 0.00 -0.37 -0.07 -0.76 -1.23 0.00 0.00 174.94 172.50 1wfo s LEU 35 N 2.79 2.35 -0.51 2.97 1.43 -0.90 -5.01 118.68 121.80 1wfo s LEU 35 Ca 0.25 -0.72 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1wfo s LEU 35 Cb -0.14 -0.12 0.13 0.00 0.03 0.00 0.00 46.19 46.09 1wfo s LEU 35 CO 0.16 -0.31 0.26 -0.36 0.23 0.00 0.00 176.35 176.33 1wfo s PHE 36 N -2.25 3.37 -0.08 0.29 0.08 -1.26 -1.25 117.98 116.88 1wfo s PHE 36 Ca -0.02 -2.98 -0.24 0.00 0.12 0.00 0.00 56.93 53.81 1wfo s PHE 36 Cb -0.04 -2.97 -0.20 0.00 -0.57 0.00 0.00 43.02 39.24 1wfo s PHE 36 CO -0.02 -0.82 0.91 -1.00 -0.10 0.00 0.00 175.22 174.19 1wfo h PRO 37 N 6.94 -0.06 -4.90 0.24 0.13 -1.94 -3.43 132.00 128.99 1wfo h PRO 37 Ca -0.06 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.40 1wfo h PRO 37 Cb 0.94 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 31.78 1wfo h PRO 37 CO 0.67 0.59 -0.71 -2.00 -0.23 0.00 0.00 178.00 176.31 1wfo s GLU 38 N -3.11 2.98 -0.21 0.86 2.12 -1.11 -5.05 118.70 115.18 1wfo s GLU 38 Ca -0.15 -0.89 -0.04 0.00 0.36 0.00 0.00 54.97 54.24 1wfo s GLU 38 Cb -0.01 -3.07 0.08 0.00 0.26 0.00 0.00 34.13 31.39 1wfo s GLU 38 CO 0.59 -0.38 0.13 0.08 -0.54 0.00 0.00 175.26 175.15 1wfo s VAL 39 N 1.39 -0.15 0.00 3.70 1.01 -1.26 0.18 120.40 125.27 1wfo s VAL 39 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1wfo s VAL 39 Cb -0.16 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1wfo s VAL 39 CO -0.03 -0.36 0.00 0.54 0.00 0.00 0.00 175.10 175.25 1wfo n ARG 40 N 5.28 1.68 0.00 2.72 1.74 0.50 -4.60 116.66 123.99 1wfo n ARG 40 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1wfo n ARG 40 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 1wfo n ARG 40 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wfo n THR 41 N -0.65 0.00 -0.80 0.55 -2.24 -1.26 -3.49 114.28 106.39 1wfo n THR 41 Ca 0.00 0.54 -0.20 0.00 -2.27 0.00 0.00 64.05 62.12 1wfo n THR 41 Cb 0.00 -1.09 0.14 0.00 -2.10 0.00 0.00 70.33 67.28 1wfo n THR 41 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wfo n THR 42 N -0.70 2.80 -3.52 4.28 -2.24 -1.25 -4.18 114.28 109.48 1wfo n THR 42 Ca 0.00 -1.60 -0.00 0.00 -2.27 0.00 0.00 64.05 60.17 1wfo n THR 42 Cb 0.00 -0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 67.54 1wfo n THR 42 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1wfo s SER 43 N -0.84 -0.66 0.26 3.42 1.04 -1.26 -1.65 113.70 114.02 1wfo s SER 43 Ca 0.46 0.95 0.03 0.00 0.48 0.00 0.00 55.95 57.87 1wfo s SER 43 Cb 0.38 1.62 -0.05 0.00 0.10 0.00 0.00 66.02 68.07 1wfo s SER 43 CO 0.08 -0.14 0.05 0.68 0.98 0.00 0.00 173.24 174.89 1wfo s VAL 44 N 2.18 0.90 -0.28 5.02 -7.23 0.16 0.19 120.40 121.33 1wfo s VAL 44 Ca -0.05 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.11 1wfo s VAL 44 Cb -0.06 -2.56 0.17 0.00 0.56 0.00 0.00 36.38 34.49 1wfo s VAL 44 CO -0.17 -0.13 0.50 -0.60 -0.31 0.00 0.00 175.10 174.39 1wfo s ARG 45 N -3.93 0.48 0.41 4.82 3.52 0.49 0.30 118.95 125.03 1wfo s ARG 45 Ca 0.34 0.61 0.08 0.00 -0.13 0.00 0.00 55.73 56.63 1wfo s ARG 45 Cb 0.07 0.05 -0.02 0.00 -1.56 0.00 0.00 34.95 33.50 1wfo s ARG 45 CO 0.12 -0.80 0.38 -0.48 -0.81 0.00 0.00 175.30 173.71 1wfo s LEU 46 N 2.71 3.42 0.08 -0.88 2.34 -1.14 -2.74 118.68 122.48 1wfo s LEU 46 Ca 0.14 -0.71 0.01 0.00 0.06 0.00 0.00 54.13 53.64 1wfo s LEU 46 Cb -0.14 -2.10 -0.04 0.00 -0.56 0.00 0.00 46.19 43.35 1wfo s LEU 46 CO -0.23 -0.64 -0.06 0.27 -1.06 0.00 0.00 176.35 174.64 1wfo s ILE 47 N -2.45 0.59 0.32 1.48 -0.00 -0.38 -2.16 121.20 118.60 1wfo s ILE 47 Ca 0.48 -1.81 -0.05 0.00 -0.00 0.00 0.00 60.65 59.27 1wfo s ILE 47 Cb -0.04 -1.52 0.00 0.00 -0.00 0.00 0.00 42.46 40.91 1wfo s ILE 47 CO 0.28 -0.83 0.48 -1.66 -0.00 0.00 0.00 174.94 173.20 1wfo s TRP 48 N -3.39 0.87 0.21 1.37 -2.14 0.17 -2.11 118.94 113.91 1wfo s TRP 48 Ca 0.08 -1.15 0.05 0.00 2.66 0.00 0.00 56.10 57.74 1wfo s TRP 48 Cb 0.04 0.01 -0.05 0.00 -3.10 0.00 0.00 33.47 30.37 1wfo s TRP 48 CO -0.05 -1.11 -0.06 -0.65 -2.66 0.00 0.00 176.95 172.42 1wfo s GLN 49 N -3.25 1.27 0.49 3.25 -0.21 -1.04 -4.63 119.66 115.55 1wfo s GLN 49 Ca 0.28 -1.60 -0.20 0.00 0.02 0.00 0.00 55.36 53.86 1wfo s GLN 49 Cb -0.00 -0.75 -0.08 0.00 1.00 0.00 0.00 33.01 33.18 1wfo s GLN 49 CO 0.17 0.01 1.04 -1.25 -2.12 0.00 0.00 175.29 173.14 1wfo s PRO 50 N -3.78 3.77 -0.26 2.91 0.04 -1.26 -3.96 135.00 132.45 1wfo s PRO 50 Ca 0.24 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 1wfo s PRO 50 Cb 0.04 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1wfo s PRO 50 CO 0.06 -0.46 1.33 -1.25 0.04 0.00 0.00 177.00 176.72 1wfo s PRO 51 N -3.32 3.97 0.57 0.56 0.04 -1.26 -4.75 135.00 130.80 1wfo s PRO 51 Ca 0.67 1.38 0.43 0.00 0.04 0.00 0.00 61.00 63.51 1wfo s PRO 51 Cb -0.16 -3.87 1.55 0.00 0.04 0.00 0.00 34.50 32.06 1wfo s PRO 51 CO 0.21 -1.05 1.58 0.00 0.04 0.00 0.00 177.00 177.78 1wfo h ALA 52 N 9.22 3.52 -3.17 8.56 0.00 -1.93 -2.22 119.26 133.23 1wfo h ALA 52 Ca -0.27 -0.06 -0.66 0.00 0.00 0.00 0.00 54.91 53.93 1wfo h ALA 52 Cb 1.10 0.12 -0.39 0.00 0.00 0.00 0.00 17.79 18.62 1wfo h ALA 52 CO 1.02 -2.08 -0.47 0.00 0.00 0.00 0.00 179.25 177.71 1wfo s ALA 53 N -4.79 3.66 0.18 0.00 0.00 -1.26 -4.84 121.76 114.71 1wfo s ALA 53 Ca -0.05 -3.53 0.02 0.00 0.00 0.00 0.00 51.96 48.41 1wfo s ALA 53 Cb 0.23 -2.37 0.04 0.00 0.00 0.00 0.00 23.12 21.02 1wfo s ALA 53 CO 0.79 -2.08 1.41 -1.00 0.00 0.00 0.00 175.76 174.88 1wfo h PRO 54 N 6.22 0.24 -7.16 0.00 0.13 -1.74 -3.20 132.00 126.49 1wfo h PRO 54 Ca 0.03 -0.23 -0.62 0.00 -0.87 0.00 0.00 66.00 64.31 1wfo h PRO 54 Cb 0.85 0.06 -0.33 0.00 0.13 0.00 0.00 31.00 31.71 1wfo h PRO 54 CO 0.73 0.93 -0.93 0.27 -0.23 0.00 0.00 178.00 178.77 1wfo n ASN 55 N -3.72 -1.00 0.00 1.44 0.23 -1.26 -3.57 115.26 107.37 1wfo n ASN 55 Ca -0.04 -1.25 0.00 0.00 -0.53 0.00 0.00 54.58 52.76 1wfo n ASN 55 Cb 0.76 -1.63 0.00 0.00 -2.08 0.00 0.00 39.78 36.83 1wfo n ASN 55 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wfo n GLY 56 N -1.54 3.16 3.68 4.83 0.00 -1.26 -3.89 105.19 110.18 1wfo n GLY 56 Ca -0.02 -0.06 -0.50 0.00 0.00 0.00 0.00 46.02 45.44 1wfo n GLY 56 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wfo n ILE 57 N 0.00 0.42 -2.28 -0.61 -0.00 -1.26 -4.88 119.36 110.75 1wfo n ILE 57 Ca 0.00 -0.08 -0.42 0.00 -0.00 0.00 0.00 62.75 62.26 1wfo n ILE 57 Cb 0.00 -1.63 -0.03 0.00 -0.00 0.00 0.00 39.64 37.98 1wfo n ILE 57 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1wfo s ILE 58 N 3.42 3.45 -0.05 1.39 -1.09 -1.26 -4.30 121.20 122.76 1wfo s ILE 58 Ca 0.92 1.14 0.16 0.00 -2.23 0.00 0.00 60.65 60.64 1wfo s ILE 58 Cb -0.80 -3.73 -0.24 0.00 -1.58 0.00 0.00 42.46 36.11 1wfo s ILE 58 CO 0.53 0.14 0.31 0.18 -1.23 0.00 0.00 174.94 174.87 1wfo n LEU 59 N 3.09 0.00 0.00 2.97 4.77 0.55 -4.75 117.00 123.62 1wfo n LEU 59 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1wfo n LEU 59 Cb 0.44 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1wfo n LEU 59 CO 0.57 0.07 0.00 0.00 -1.33 0.00 0.00 177.39 176.70 1wfo n ALA 60 N -2.17 0.00 -2.43 -1.18 0.00 -1.12 -3.52 120.51 110.09 1wfo n ALA 60 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 1wfo n ALA 60 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 1wfo n ALA 60 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1wfo s TYR 61 N -3.00 1.16 -0.02 0.00 1.51 0.10 0.39 117.35 117.49 1wfo s TYR 61 Ca 0.00 -1.34 0.01 0.00 -1.01 0.00 0.00 57.07 54.73 1wfo s TYR 61 Cb 0.00 -0.43 0.02 0.00 -0.11 0.00 0.00 41.96 41.43 1wfo s TYR 61 CO 0.00 -0.79 -0.02 -1.14 -1.11 0.00 0.00 175.55 172.49 1wfo s GLN 62 N -3.87 0.36 -0.21 -0.62 0.74 0.16 0.19 119.66 116.41 1wfo s GLN 62 Ca 0.36 -0.01 0.01 0.00 0.05 0.00 0.00 55.36 55.77 1wfo s GLN 62 Cb 0.04 -0.45 0.05 0.00 1.10 0.00 0.00 33.01 33.74 1wfo s GLN 62 CO 0.16 -0.06 -0.11 0.42 -0.55 0.00 0.00 175.29 175.15 1wfo s ILE 63 N 0.64 1.79 -0.22 -2.34 1.01 0.57 -0.47 121.20 122.19 1wfo s ILE 63 Ca -0.07 -1.16 -0.05 0.00 0.00 0.00 0.00 60.65 59.38 1wfo s ILE 63 Cb -0.10 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 1wfo s ILE 63 CO -0.01 0.14 -0.01 0.42 0.00 0.00 0.00 174.94 175.49 1wfo s THR 64 N 1.32 3.71 -0.10 2.92 -4.23 -0.02 -1.95 115.64 117.30 1wfo s THR 64 Ca -0.03 -0.38 0.03 0.00 -1.18 0.00 0.00 61.69 60.14 1wfo s THR 64 Cb -0.17 -2.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 1wfo s THR 64 CO -0.08 0.41 -0.21 -1.38 -0.54 0.00 0.00 174.62 172.82 1wfo s HIS 65 N 1.36 2.60 -0.17 3.99 -3.43 -1.12 -0.04 115.29 118.49 1wfo s HIS 65 Ca 0.04 -0.88 -0.08 0.00 -0.80 0.00 0.00 55.06 53.34 1wfo s HIS 65 Cb -0.15 -1.72 0.06 0.00 -1.43 0.00 0.00 32.58 29.35 1wfo s HIS 65 CO -0.00 -0.32 0.40 -0.98 -2.00 0.00 0.00 174.74 171.84 1wfo s ARG 66 N 0.23 0.36 0.21 -0.38 1.70 -1.11 -3.07 118.95 116.89 1wfo s ARG 66 Ca -0.14 0.82 -0.30 0.00 -0.47 0.00 0.00 55.73 55.64 1wfo s ARG 66 Cb -0.17 0.04 -0.16 0.00 -0.57 0.00 0.00 34.95 34.10 1wfo s ARG 66 CO 0.07 -0.18 0.98 1.28 -1.08 0.00 0.00 175.30 176.37 1wfo n LEU 67 N 4.51 1.01 -0.00 -1.89 4.77 -1.26 -0.76 117.00 123.38 1wfo n LEU 67 Ca -0.20 1.15 0.10 0.00 -0.03 0.00 0.00 56.01 57.03 1wfo n LEU 67 Cb 0.54 -1.18 0.57 0.00 -2.33 0.00 0.00 43.42 41.02 1wfo n LEU 67 CO 0.07 -1.70 0.86 -3.20 -1.33 0.00 0.00 177.39 172.09 1wfo n ASN 68 N 1.70 0.01 -3.09 -1.43 5.15 0.36 -3.83 115.26 114.13 1wfo n ASN 68 Ca 0.14 -1.40 -0.19 0.00 -0.60 0.00 0.00 54.58 52.53 1wfo n ASN 68 Cb 0.27 -0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.49 1wfo n ASN 68 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1wfo n THR 69 N -0.80 -0.38 0.01 -0.44 -2.24 -1.26 -4.90 114.28 104.28 1wfo n THR 69 Ca 0.14 -3.65 0.00 0.00 -2.27 0.00 0.00 64.05 58.28 1wfo n THR 69 Cb 0.07 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1wfo n THR 69 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wfo n THR 70 N 0.99 0.00 -2.96 4.28 -2.24 -1.25 -5.07 114.28 108.03 1wfo n THR 70 Ca 0.19 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.96 1wfo n THR 70 Cb 0.60 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 1wfo n THR 70 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1wfo n THR 71 N -2.54 -5.00 -4.44 4.28 -2.24 -1.26 -5.03 114.28 98.06 1wfo n THR 71 Ca 0.00 0.92 -0.19 0.00 -2.27 0.00 0.00 64.05 62.51 1wfo n THR 71 Cb 0.00 -3.97 -0.04 0.00 -2.10 0.00 0.00 70.33 64.22 1wfo n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfo n ALA 72 N 1.89 0.26 -0.01 6.98 0.00 -1.26 -5.05 120.51 123.32 1wfo n ALA 72 Ca -0.09 -1.35 -0.11 0.00 0.00 0.00 0.00 53.44 51.89 1wfo n ALA 72 Cb 0.26 0.75 -0.07 0.00 0.00 0.00 0.00 19.45 20.38 1wfo n ALA 72 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1wfo h ASN 73 N 0.74 -1.31 -2.53 0.00 -1.24 -2.06 -3.45 115.58 105.73 1wfo h ASN 73 Ca -0.25 0.16 -0.05 0.00 0.71 0.00 0.00 56.30 56.87 1wfo h ASN 73 Cb 0.75 0.51 -0.01 0.00 0.73 0.00 0.00 38.32 40.30 1wfo h ASN 73 CO 0.41 -0.36 -0.05 0.35 -1.29 0.00 0.00 177.43 176.49 1wfo n THR 74 N -4.71 0.00 -4.35 -3.57 -2.24 -1.26 -5.18 114.28 92.96 1wfo n THR 74 Ca -0.04 -0.24 -0.18 0.00 -2.27 0.00 0.00 64.05 61.32 1wfo n THR 74 Cb 0.28 0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.51 1wfo n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wfo s ALA 75 N -2.12 1.95 -0.72 6.98 0.00 -1.26 -5.06 121.76 121.52 1wfo s ALA 75 Ca 0.03 -1.78 -0.27 0.00 0.00 0.00 0.00 51.96 49.94 1wfo s ALA 75 Cb 0.00 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.48 1wfo s ALA 75 CO 0.02 -0.18 1.48 0.99 0.00 0.00 0.00 175.76 178.07 1wfo s THR 76 N -3.28 3.62 0.13 0.00 2.01 -1.17 -4.93 115.64 112.01 1wfo s THR 76 Ca 0.28 0.26 -0.06 0.00 0.31 0.00 0.00 61.69 62.47 1wfo s THR 76 Cb 0.05 -4.62 -0.06 0.00 0.01 0.00 0.00 72.50 67.88 1wfo s THR 76 CO 0.09 -1.56 0.39 -0.69 -0.69 0.00 0.00 174.62 172.16 1wfo s VAL 77 N 6.80 5.14 -0.09 3.82 1.01 -1.26 -2.79 120.40 133.02 1wfo s VAL 77 Ca 0.46 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.55 1wfo s VAL 77 Cb -0.09 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.70 1wfo s VAL 77 CO 0.15 0.10 0.23 -0.70 0.00 0.00 0.00 175.10 174.88 1wfo s GLU 78 N -2.46 0.23 -0.18 2.72 2.12 -0.82 -4.98 118.70 115.33 1wfo s GLU 78 Ca 0.39 0.41 -0.16 0.00 0.36 0.00 0.00 54.97 55.97 1wfo s GLU 78 Cb -0.12 0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.24 1wfo s GLU 78 CO 0.22 -0.09 0.41 0.08 -0.54 0.00 0.00 175.26 175.34 1wfo s VAL 79 N 0.64 5.21 0.42 3.70 1.01 -1.26 -0.31 120.40 129.81 1wfo s VAL 79 Ca -0.04 0.75 0.08 0.00 0.00 0.00 0.00 61.98 62.77 1wfo s VAL 79 Cb -0.06 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1wfo s VAL 79 CO -0.04 0.29 0.36 -0.76 0.00 0.00 0.00 175.10 174.95 1wfo s LEU 80 N 1.03 3.33 0.81 3.92 1.43 0.52 -4.90 118.68 124.81 1wfo s LEU 80 Ca 0.20 -0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 1wfo s LEU 80 Cb -0.15 -1.94 0.08 0.00 0.03 0.00 0.00 46.19 44.21 1wfo s LEU 80 CO 0.08 -0.67 1.12 0.00 0.23 0.00 0.00 176.35 177.11 1wfo s ALA 81 N -2.50 2.32 -1.72 4.21 0.00 -1.26 0.01 121.76 122.81 1wfo s ALA 81 Ca 0.47 -0.39 0.23 0.00 0.00 0.00 0.00 51.96 52.28 1wfo s ALA 81 Cb -0.02 -3.05 1.29 0.00 0.00 0.00 0.00 23.12 21.34 1wfo s ALA 81 CO 0.27 -1.75 1.77 -0.35 0.00 0.00 0.00 175.76 175.70 1wfo n PRO 82 N -3.42 0.54 -1.24 0.00 -0.04 -1.23 -2.62 135.00 126.99 1wfo n PRO 82 Ca 0.07 0.04 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 1wfo n PRO 82 Cb 0.58 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.67 1wfo n PRO 82 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wfo n SER 83 N -1.14 3.26 -4.65 3.54 3.41 -1.26 -4.85 113.62 111.93 1wfo n SER 83 Ca 0.14 -3.83 -0.37 0.00 -0.26 0.00 0.00 58.87 54.55 1wfo n SER 83 Cb 0.13 -0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 63.52 1wfo n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wfo s ALA 84 N -3.41 3.59 -0.10 7.33 0.00 -1.08 -4.93 121.76 123.17 1wfo s ALA 84 Ca 0.45 -0.86 0.13 0.00 0.00 0.00 0.00 51.96 51.67 1wfo s ALA 84 Cb 0.39 -2.39 -0.19 0.00 0.00 0.00 0.00 23.12 20.93 1wfo s ALA 84 CO -0.02 -0.25 0.32 0.54 0.00 0.00 0.00 175.76 176.35 1wfo n ARG 85 N 4.42 0.74 -3.91 0.00 5.12 -1.26 -4.95 116.66 116.82 1wfo n ARG 85 Ca -0.14 -0.10 -0.09 0.00 -1.93 0.00 0.00 57.85 55.58 1wfo n ARG 85 Cb 0.52 -1.28 -0.06 0.00 -1.16 0.00 0.00 32.46 30.48 1wfo n ARG 85 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1wfo s GLN 86 N -2.80 1.27 -0.16 5.56 -2.07 -1.26 0.46 119.66 120.65 1wfo s GLN 86 Ca -0.03 -1.10 -0.10 0.00 -1.82 0.00 0.00 55.36 52.30 1wfo s GLN 86 Cb 0.08 0.43 0.05 0.00 -1.09 0.00 0.00 33.01 32.49 1wfo s GLN 86 CO 0.53 -0.49 0.39 -0.47 -1.32 0.00 0.00 175.29 173.94 1wfo s TYR 87 N -3.95 -0.55 -0.06 9.60 6.14 -0.92 -5.01 117.35 122.60 1wfo s TYR 87 Ca 0.16 1.21 -0.17 0.00 0.64 0.00 0.00 57.07 58.91 1wfo s TYR 87 Cb 0.02 0.23 -0.05 0.00 0.42 0.00 0.00 41.96 42.58 1wfo s TYR 87 CO 0.00 -0.31 0.45 0.99 0.64 0.00 0.00 175.55 177.32 1wfo s THR 88 N 1.18 5.10 -0.26 4.34 2.01 -1.26 -2.89 115.64 123.86 1wfo s THR 88 Ca -0.08 0.91 -0.03 0.00 0.31 0.00 0.00 61.69 62.80 1wfo s THR 88 Cb -0.08 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.68 1wfo s THR 88 CO -0.10 0.44 -0.02 0.00 -0.69 0.00 0.00 174.62 174.25 1wfo s ALA 89 N -0.13 2.81 0.22 7.40 0.00 0.15 -4.98 121.76 127.22 1wfo s ALA 89 Ca 0.25 -1.44 0.10 0.00 0.00 0.00 0.00 51.96 50.87 1wfo s ALA 89 Cb -0.16 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 1wfo s ALA 89 CO 0.12 -0.82 -0.14 0.95 0.00 0.00 0.00 175.76 175.87 1wfo s THR 90 N 1.38 2.87 -0.11 0.00 -4.23 -1.26 0.38 115.64 114.66 1wfo s THR 90 Ca 0.01 -1.97 -0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1wfo s THR 90 Cb -0.17 -2.45 -0.00 0.00 1.34 0.00 0.00 72.50 71.22 1wfo s THR 90 CO -0.02 -0.23 0.10 0.61 -0.54 0.00 0.00 174.62 174.53 1wfo n GLY 91 N -0.24 0.48 3.44 3.99 0.00 -0.66 -4.96 105.19 107.24 1wfo n GLY 91 Ca -0.09 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 1wfo n GLY 91 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wfo s LEU 92 N -2.70 2.54 -0.06 0.99 1.43 -1.19 -5.03 118.68 114.67 1wfo s LEU 92 Ca 0.01 -0.98 -0.17 0.00 -1.03 0.00 0.00 54.13 51.97 1wfo s LEU 92 Cb -0.00 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 45.10 1wfo s LEU 92 CO 0.07 0.04 0.44 -0.75 0.23 0.00 0.00 176.35 176.38 1wfo s LYS 93 N -3.29 4.17 0.77 1.70 2.20 -1.26 -3.74 119.74 120.28 1wfo s LYS 93 Ca 0.26 0.43 -0.11 0.00 -0.36 0.00 0.00 55.97 56.19 1wfo s LYS 93 Cb -0.05 -3.34 0.05 0.00 -1.51 0.00 0.00 37.83 32.98 1wfo s LYS 93 CO 0.13 0.40 1.09 -1.25 -0.36 0.00 0.00 175.35 175.35 1wfo s PRO 94 N -0.16 2.34 -0.94 4.03 0.04 -1.26 -4.20 135.00 134.85 1wfo s PRO 94 Ca 0.24 0.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.01 1wfo s PRO 94 Cb -0.16 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1wfo s PRO 94 CO 0.11 -1.47 0.79 0.39 0.04 0.00 0.00 177.00 176.87 1wfo n GLU 95 N -3.34 -4.79 -2.36 4.56 1.02 0.73 -4.98 120.64 111.47 1wfo n GLU 95 Ca 0.07 0.68 -0.03 0.00 -0.02 0.00 0.00 57.16 57.86 1wfo n GLU 95 Cb 0.55 -5.15 0.01 0.00 -0.02 0.00 0.00 31.44 26.84 1wfo n GLU 95 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wfo n SER 96 N -2.72 -0.94 -4.04 1.62 7.64 -1.24 -4.97 113.62 108.97 1wfo n SER 96 Ca -0.21 -1.60 -0.14 0.00 1.01 0.00 0.00 58.87 57.94 1wfo n SER 96 Cb 0.63 1.55 -0.12 0.00 -1.01 0.00 0.00 64.21 65.26 1wfo n SER 96 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wfo s VAL 97 N -2.49 0.54 -0.03 0.44 0.11 -1.26 0.53 120.40 118.24 1wfo s VAL 97 Ca 0.08 -0.90 0.04 0.00 -2.93 0.00 0.00 61.98 58.28 1wfo s VAL 97 Cb -0.02 -0.57 -0.01 0.00 -1.53 0.00 0.00 36.38 34.25 1wfo s VAL 97 CO 0.04 -0.26 -0.16 -0.31 -3.33 0.00 0.00 175.10 171.08 1wfo s TYR 98 N -1.09 1.53 -0.46 1.54 1.51 0.63 0.14 117.35 121.15 1wfo s TYR 98 Ca -0.07 -0.38 -0.21 0.00 -1.01 0.00 0.00 57.07 55.40 1wfo s TYR 98 Cb -0.08 -1.02 0.03 0.00 -0.11 0.00 0.00 41.96 40.78 1wfo s TYR 98 CO 0.00 -0.11 0.68 -1.17 -1.11 0.00 0.00 175.55 173.85 1wfo s LEU 99 N -0.10 4.51 -0.39 -1.29 1.98 0.06 -1.24 118.68 122.21 1wfo s LEU 99 Ca -0.00 -0.40 -0.19 0.00 -2.89 0.00 0.00 54.13 50.65 1wfo s LEU 99 Cb -0.09 -2.72 0.01 0.00 0.66 0.00 0.00 46.19 44.05 1wfo s LEU 99 CO 0.01 -0.84 0.53 -0.36 -1.89 0.00 0.00 176.35 173.79 1wfo s PHE 100 N 2.93 3.14 -0.32 5.38 0.40 0.55 -2.76 117.98 127.30 1wfo s PHE 100 Ca 0.23 -0.04 -0.09 0.00 -0.60 0.00 0.00 56.93 56.43 1wfo s PHE 100 Cb -0.14 -3.03 0.01 0.00 0.51 0.00 0.00 43.02 40.36 1wfo s PHE 100 CO 0.18 -0.67 0.14 0.50 0.70 0.00 0.00 175.22 176.07 1wfo s ARG 101 N 2.44 3.08 -0.11 0.44 3.52 0.94 0.37 118.95 129.63 1wfo s ARG 101 Ca 0.18 -0.88 -0.08 0.00 -0.13 0.00 0.00 55.73 54.81 1wfo s ARG 101 Cb -0.15 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 1wfo s ARG 101 CO 0.15 -0.51 0.18 0.42 -0.81 0.00 0.00 175.30 174.72 1wfo s ILE 102 N 1.55 5.44 0.10 4.11 1.01 0.11 -0.84 121.20 132.69 1wfo s ILE 102 Ca 0.03 0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.87 1wfo s ILE 102 Cb -0.18 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.85 1wfo s ILE 102 CO 0.05 0.61 0.23 -0.89 0.00 0.00 0.00 174.94 174.94 1wfo s THR 103 N -1.00 0.13 0.21 2.92 2.01 0.38 0.22 115.64 120.52 1wfo s THR 103 Ca 0.16 -1.07 0.10 0.00 0.31 0.00 0.00 61.69 61.19 1wfo s THR 103 Cb -0.13 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 1wfo s THR 103 CO 0.05 -0.58 -0.11 0.00 -0.69 0.00 0.00 174.62 173.29 1wfo s ALA 104 N -3.85 2.91 -0.15 7.40 0.00 -1.26 0.40 121.76 127.21 1wfo s ALA 104 Ca 0.05 -1.58 0.01 0.00 0.00 0.00 0.00 51.96 50.44 1wfo s ALA 104 Cb 0.04 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1wfo s ALA 104 CO -0.11 0.40 -0.18 -1.14 0.00 0.00 0.00 175.76 174.73 1wfo s GLN 105 N -3.07 2.66 0.00 0.00 0.74 0.16 -3.61 119.66 116.55 1wfo s GLN 105 Ca 0.26 -0.71 0.00 0.00 0.05 0.00 0.00 55.36 54.96 1wfo s GLN 105 Cb -0.08 -2.29 0.00 0.00 1.10 0.00 0.00 33.01 31.75 1wfo s GLN 105 CO 0.15 -0.15 0.00 0.25 -0.55 0.00 0.00 175.29 174.99 1wfo n THR 106 N 4.48 0.00 1.11 -0.34 -2.24 -0.35 0.20 114.28 117.14 1wfo n THR 106 Ca -0.19 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.70 1wfo n THR 106 Cb 0.51 0.00 0.58 0.00 -2.10 0.00 0.00 70.33 69.32 1wfo n THR 106 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1wfo n ARG 107 N 0.00 0.38 -0.12 -0.78 1.85 -1.26 -2.81 116.66 113.91 1wfo n ARG 107 Ca 0.00 0.06 -0.18 0.00 -1.00 0.00 0.00 57.85 56.73 1wfo n ARG 107 Cb 0.00 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 29.79 1wfo n ARG 107 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1wfo n LYS 108 N -1.24 0.65 0.00 2.89 4.76 -1.26 -5.09 118.16 118.87 1wfo n LYS 108 Ca 0.12 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 1wfo n LYS 108 Cb 0.16 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 1wfo n LYS 108 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfo n GLY 109 N 2.24 0.18 3.28 0.72 0.00 -1.12 -4.90 105.19 105.58 1wfo n GLY 109 Ca -0.45 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 1wfo n GLY 109 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wfo s TRP 110 N -4.00 3.26 0.00 1.61 0.52 -1.26 -1.22 118.94 117.85 1wfo s TRP 110 Ca 0.00 -1.38 0.00 0.00 0.02 0.00 0.00 56.10 54.74 1wfo s TRP 110 Cb 0.00 -2.32 0.00 0.00 -1.15 0.00 0.00 33.47 30.00 1wfo s TRP 110 CO 0.00 -0.73 0.00 0.41 0.02 0.00 0.00 176.95 176.65 1wfo n GLY 111 N 4.83 0.32 3.30 0.98 0.00 -1.24 -4.99 105.19 108.40 1wfo n GLY 111 Ca -0.12 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 1wfo n GLY 111 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wfo n GLU 112 N 0.00 -0.95 -3.86 1.61 4.07 -1.20 -4.80 120.64 115.51 1wfo n GLU 112 Ca 0.00 -0.25 -0.12 0.00 -0.06 0.00 0.00 57.16 56.72 1wfo n GLU 112 Cb 0.00 -1.69 -0.14 0.00 -0.06 0.00 0.00 31.44 29.55 1wfo n GLU 112 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wfo s ALA 113 N -2.27 0.00 -0.24 4.31 0.00 -1.26 -4.37 121.76 117.93 1wfo s ALA 113 Ca 0.54 0.03 -0.17 0.00 0.00 0.00 0.00 51.96 52.36 1wfo s ALA 113 Cb -0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1wfo s ALA 113 CO 0.67 -0.01 0.49 0.00 0.00 0.00 0.00 175.76 176.91 1wfo s ALA 114 N 0.09 3.58 -0.25 0.00 0.00 0.13 -4.83 121.76 120.48 1wfo s ALA 114 Ca -0.01 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 1wfo s ALA 114 Cb -0.01 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.23 1wfo s ALA 114 CO -0.00 -0.63 0.17 -1.21 0.00 0.00 0.00 175.76 174.08 1wfo s GLU 115 N 2.06 4.02 -0.04 0.00 2.02 -1.26 0.10 118.70 125.60 1wfo s GLU 115 Ca 0.21 -0.29 0.01 0.00 0.02 0.00 0.00 54.97 54.92 1wfo s GLU 115 Cb -0.16 -3.58 0.02 0.00 0.10 0.00 0.00 34.13 30.52 1wfo s GLU 115 CO 0.09 -0.03 -0.04 0.00 0.02 0.00 0.00 175.26 175.30 1wfo s ALA 116 N 1.31 0.61 0.05 5.21 0.00 0.16 -4.95 121.76 124.16 1wfo s ALA 116 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 1wfo s ALA 116 Cb -0.14 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1wfo s ALA 116 CO 0.07 0.01 0.23 -0.51 0.00 0.00 0.00 175.76 175.55 1wfo s LEU 117 N 0.80 4.35 -0.14 0.00 1.43 -1.26 0.21 118.68 124.07 1wfo s LEU 117 Ca -0.10 0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 53.27 1wfo s LEU 117 Cb -0.13 -2.88 0.06 0.00 0.03 0.00 0.00 46.19 43.26 1wfo s LEU 117 CO 0.00 0.19 0.34 0.54 0.23 0.00 0.00 176.35 177.65 1wfo s VAL 118 N -1.46 -0.07 0.19 -1.59 0.11 -0.38 -4.95 120.40 112.26 1wfo s VAL 118 Ca 0.33 0.13 -0.12 0.00 -2.93 0.00 0.00 61.98 59.38 1wfo s VAL 118 Cb -0.13 -0.52 -0.07 0.00 -1.53 0.00 0.00 36.38 34.13 1wfo s VAL 118 CO 0.24 0.05 0.56 -0.69 -3.33 0.00 0.00 175.10 171.93 1wfo s VAL 119 N 1.44 4.88 -0.31 2.04 1.01 -1.26 -0.27 120.40 127.94 1wfo s VAL 119 Ca -0.09 0.68 -0.12 0.00 0.00 0.00 0.00 61.98 62.46 1wfo s VAL 119 Cb -0.09 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1wfo s VAL 119 CO -0.11 0.10 0.21 0.42 0.00 0.00 0.00 175.10 175.72 1wfo s THR 120 N -1.63 5.24 -0.08 3.92 -4.23 0.19 -4.87 115.64 114.18 1wfo s THR 120 Ca 0.42 -0.07 -0.32 0.00 -1.18 0.00 0.00 61.69 60.54 1wfo s THR 120 Cb -0.13 -3.61 0.14 0.00 1.34 0.00 0.00 72.50 70.24 1wfo s THR 120 CO 0.20 0.10 1.40 0.28 -0.54 0.00 0.00 174.62 176.06 1wfo s THR 121 N 1.73 0.00 -0.13 3.99 -1.32 -1.23 -0.19 115.64 118.49 1wfo s THR 121 Ca 0.06 -0.06 0.22 0.00 -1.21 0.00 0.00 61.69 60.70 1wfo s THR 121 Cb -0.17 -2.01 -0.18 0.00 -1.51 0.00 0.00 72.50 68.64 1wfo s THR 121 CO 0.10 0.00 0.73 -0.62 -2.21 0.00 0.00 174.62 172.62 1wfo n GLU 122 N -0.50 0.63 -2.47 7.08 1.02 -1.26 -4.36 120.64 120.78 1wfo n GLU 122 Ca -0.09 -0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.60 1wfo n GLU 122 Cb 0.64 -1.68 -0.02 0.00 -0.02 0.00 0.00 31.44 30.36 1wfo n GLU 122 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1wfo s LYS 123 N -3.35 3.82 0.72 3.49 2.20 -1.26 -5.00 119.74 120.35 1wfo s LYS 123 Ca -0.05 1.01 -0.11 0.00 -0.36 0.00 0.00 55.97 56.47 1wfo s LYS 123 Cb 0.11 -3.90 0.02 0.00 -1.51 0.00 0.00 37.83 32.56 1wfo s LYS 123 CO 0.85 -1.24 1.07 0.50 -0.36 0.00 0.00 175.35 176.17 1wfo s ARG 124 N 4.33 2.73 0.04 4.03 3.52 -1.26 -5.03 118.95 127.31 1wfo s ARG 124 Ca 0.54 0.74 -0.03 0.00 -0.13 0.00 0.00 55.73 56.85 1wfo s ARG 124 Cb -0.13 -1.98 -0.01 0.00 -1.56 0.00 0.00 34.95 31.26 1wfo s ARG 124 CO 0.26 -1.19 -0.05 0.43 -0.81 0.00 0.00 175.30 173.94 1wfo n SER 125 N -3.16 1.04 0.00 -2.12 7.64 -1.26 -5.17 113.62 110.59 1wfo n SER 125 Ca 0.07 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1wfo n SER 125 Cb 0.55 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1wfo n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfo n GLY 126 N 3.16 3.06 3.75 0.23 0.00 -1.26 -5.05 105.19 109.08 1wfo n GLY 126 Ca -0.02 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 1wfo n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfo s PRO 127 N -3.07 4.65 -0.11 1.61 0.04 -1.26 -4.98 135.00 131.87 1wfo s PRO 127 Ca 0.00 1.77 -0.09 0.00 0.04 0.00 0.00 61.00 62.71 1wfo s PRO 127 Cb 0.00 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.24 1wfo s PRO 127 CO 0.00 0.21 0.23 0.77 0.04 0.00 0.00 177.00 178.25 1wfo h SER 128 N 4.10 0.00 -5.41 6.66 0.02 -2.08 -3.49 113.55 113.35 1wfo h SER 128 Ca -0.46 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 1wfo h SER 128 Cb 1.21 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 1wfo h SER 128 CO 0.68 0.67 -1.09 -0.24 -1.14 0.00 0.00 176.83 175.72 1wfo n SER 129 N -4.72 -4.74 0.00 3.07 2.88 -1.26 -5.34 113.62 103.51 1wfo n SER 129 Ca -0.04 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1wfo n SER 129 Cb 0.16 -4.25 0.00 0.00 -0.75 0.00 0.00 64.21 59.38 1wfo n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42