#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfo n SER 2 N 0.00 -5.98 -3.63 1.61 7.64 -1.26 -5.09 113.62 106.91 1wfo n SER 2 Ca 0.00 1.18 -0.03 0.00 1.01 0.00 0.00 58.87 61.03 1wfo n SER 2 Cb 0.00 -3.17 -0.02 0.00 -1.01 0.00 0.00 64.21 60.01 1wfo n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfo s SER 3 N -4.21 -0.06 0.00 6.43 1.04 -1.26 -5.19 113.70 110.46 1wfo s SER 3 Ca 0.00 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1wfo s SER 3 Cb 0.00 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1wfo s SER 3 CO 0.00 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1wfo n GLY 4 N -0.04 3.00 3.64 7.32 0.00 -1.26 -5.18 105.19 112.67 1wfo n GLY 4 Ca 0.04 -1.05 -0.04 0.00 0.00 0.00 0.00 46.02 44.96 1wfo n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfo s SER 5 N 0.00 -0.14 -0.20 1.61 0.15 -1.26 -5.19 113.70 108.68 1wfo s SER 5 Ca 0.00 0.24 -0.35 0.00 0.70 0.00 0.00 55.95 56.53 1wfo s SER 5 Cb 0.00 0.23 0.14 0.00 -1.71 0.00 0.00 66.02 64.68 1wfo s SER 5 CO 0.00 -0.07 1.23 -0.94 1.20 0.00 0.00 173.24 174.66 1wfo s SER 6 N -0.24 -0.12 0.00 5.45 1.04 -1.26 -5.19 113.70 113.38 1wfo s SER 6 Ca 0.06 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1wfo s SER 6 Cb -0.04 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1wfo s SER 6 CO -0.11 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1wfo n GLY 7 N -0.09 1.07 3.21 7.32 0.00 -1.26 -5.19 105.19 110.26 1wfo n GLY 7 Ca 0.01 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 1wfo n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfo s ARG 8 N -1.50 1.04 0.75 1.61 1.81 -1.26 -5.16 118.95 116.24 1wfo s ARG 8 Ca 0.00 -1.50 -0.11 0.00 -1.72 0.00 0.00 55.73 52.41 1wfo s ARG 8 Cb 0.00 -0.13 0.05 0.00 -0.45 0.00 0.00 34.95 34.42 1wfo s ARG 8 CO 0.00 -0.16 1.12 0.96 -0.68 0.00 0.00 175.30 176.54 1wfo s ILE 9 N -3.76 2.63 0.00 1.52 -4.36 -1.26 -5.09 121.20 110.87 1wfo s ILE 9 Ca 0.23 0.13 0.00 0.00 -0.26 0.00 0.00 60.65 60.75 1wfo s ILE 9 Cb 0.06 -3.19 0.00 0.00 1.25 0.00 0.00 42.46 40.59 1wfo s ILE 9 CO 0.03 -0.24 0.00 0.61 0.24 0.00 0.00 174.94 175.58 1wfo n GLY 10 N -3.12 5.75 0.00 6.27 0.00 -1.26 -5.18 105.19 107.65 1wfo n GLY 10 Ca 0.07 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1wfo n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wfo n ASP 11 N 0.00 0.00 0.00 1.61 5.68 -1.26 -5.18 116.55 117.40 1wfo n ASP 11 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1wfo n ASP 11 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1wfo n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wfo n GLY 12 N -0.06 4.43 2.78 6.12 0.00 -1.26 -5.13 105.19 112.07 1wfo n GLY 12 Ca 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 46.02 44.96 1wfo n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfo s SER 13 N 0.00 -0.54 0.32 1.61 0.15 -1.26 -5.15 113.70 108.83 1wfo s SER 13 Ca 0.00 -0.44 -0.27 0.00 0.70 0.00 0.00 55.95 55.94 1wfo s SER 13 Cb 0.00 0.70 -0.09 0.00 -1.71 0.00 0.00 66.02 64.92 1wfo s SER 13 CO 0.00 -0.04 1.07 -2.16 1.20 0.00 0.00 173.24 173.31 1wfo s PRO 14 N 1.50 4.46 -0.35 5.44 0.04 -1.26 -5.03 135.00 139.80 1wfo s PRO 14 Ca 0.19 1.67 0.03 0.00 0.04 0.00 0.00 61.00 62.94 1wfo s PRO 14 Cb 0.06 -2.94 0.16 0.00 0.04 0.00 0.00 34.50 31.82 1wfo s PRO 14 CO -0.12 0.09 0.42 0.45 0.04 0.00 0.00 177.00 177.88 1wfo s SER 15 N -1.17 0.61 0.02 6.66 0.15 -1.26 -5.14 113.70 113.57 1wfo s SER 15 Ca 0.49 -1.13 0.01 0.00 0.70 0.00 0.00 55.95 56.02 1wfo s SER 15 Cb -0.28 0.90 -0.02 0.00 -1.71 0.00 0.00 66.02 64.91 1wfo s SER 15 CO 0.35 -0.28 -0.03 -1.00 1.20 0.00 0.00 173.24 173.48 1wfo s HIS 16 N 1.81 0.30 0.84 3.44 3.76 -1.26 -5.16 115.29 119.01 1wfo s HIS 16 Ca 0.15 -0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 54.54 1wfo s HIS 16 Cb -0.13 -0.20 0.09 0.00 1.11 0.00 0.00 32.58 33.46 1wfo s HIS 16 CO -0.12 -0.12 1.11 -1.25 -0.85 0.00 0.00 174.74 173.51 1wfo s PRO 17 N -1.12 1.77 0.12 8.40 0.04 -1.26 -5.00 135.00 137.95 1wfo s PRO 17 Ca -0.11 0.52 -0.30 0.00 0.04 0.00 0.00 61.00 61.16 1wfo s PRO 17 Cb -0.08 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1wfo s PRO 17 CO -0.01 -1.82 1.14 -1.25 0.04 0.00 0.00 177.00 175.11 1wfo s PRO 18 N -5.19 4.52 0.17 0.56 0.04 -1.26 -4.99 135.00 128.85 1wfo s PRO 18 Ca 0.62 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 63.09 1wfo s PRO 18 Cb -0.15 -3.31 -0.09 0.00 0.04 0.00 0.00 34.50 31.00 1wfo s PRO 18 CO 0.54 -0.08 1.38 0.42 0.04 0.00 0.00 177.00 179.30 1wfo s ILE 19 N 0.35 3.12 -0.20 0.56 1.01 -1.26 -5.00 121.20 119.78 1wfo s ILE 19 Ca 0.53 0.86 -0.04 0.00 0.00 0.00 0.00 60.65 62.01 1wfo s ILE 19 Cb -0.29 -3.55 0.10 0.00 0.01 0.00 0.00 42.46 38.72 1wfo s ILE 19 CO 0.32 0.10 0.25 -0.22 0.00 0.00 0.00 174.94 175.40 1wfo s LEU 20 N 0.43 -0.22 0.03 2.97 0.20 -1.26 -5.14 118.68 115.68 1wfo s LEU 20 Ca 0.61 -0.04 0.05 0.00 0.69 0.00 0.00 54.13 55.44 1wfo s LEU 20 Cb -0.38 0.55 -0.02 0.00 -0.43 0.00 0.00 46.19 45.91 1wfo s LEU 20 CO 0.35 -0.31 -0.14 -1.83 -0.29 0.00 0.00 176.35 174.13 1wfo s GLU 21 N 2.38 0.96 0.01 1.98 -1.05 -1.26 -5.00 118.70 116.71 1wfo s GLU 21 Ca 0.07 -0.69 -0.01 0.00 -0.15 0.00 0.00 54.97 54.19 1wfo s GLU 21 Cb -0.15 -0.96 0.00 0.00 -0.44 0.00 0.00 34.13 32.59 1wfo s GLU 21 CO -0.12 0.24 0.01 0.54 0.95 0.00 0.00 175.26 176.88 1wfo n ARG 22 N 2.08 -4.47 0.19 -4.83 3.00 -1.26 -4.95 116.66 106.43 1wfo n ARG 22 Ca -0.17 3.31 -0.11 0.00 -0.01 0.00 0.00 57.85 60.88 1wfo n ARG 22 Cb 0.55 -4.17 -0.06 0.00 0.00 0.00 0.00 32.46 28.78 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 3.67 0.25 -3.53 0.55 2.02 -2.05 -3.44 112.91 110.39 1wfo h THR 23 Ca -0.03 -0.65 -0.53 0.00 0.77 0.00 0.00 66.41 65.98 1wfo h THR 23 Cb 0.06 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 1wfo h THR 23 CO 0.00 0.06 0.15 -0.76 0.37 0.00 0.00 175.52 175.33 1wfo s LEU 24 N -9.22 4.50 0.88 2.58 1.43 -1.26 -5.05 118.68 112.53 1wfo s LEU 24 Ca -0.11 1.55 -0.12 0.00 -1.03 0.00 0.00 54.13 54.43 1wfo s LEU 24 Cb 0.01 -3.38 0.12 0.00 0.03 0.00 0.00 46.19 42.97 1wfo s LEU 24 CO 0.36 0.15 1.10 -1.81 0.23 0.00 0.00 176.35 176.38 1wfo s ASP 25 N -1.32 3.75 0.00 2.29 1.11 -1.26 -5.06 116.67 116.18 1wfo s ASP 25 Ca 0.38 1.29 0.00 0.00 0.18 0.00 0.00 52.55 54.40 1wfo s ASP 25 Cb -0.21 -1.97 0.00 0.00 1.07 0.00 0.00 42.92 41.81 1wfo s ASP 25 CO 0.24 -2.44 0.00 -0.90 1.18 0.00 0.00 175.17 173.25 1wfo n ASP 26 N -3.73 0.00 -4.05 0.27 5.68 -1.22 -5.13 116.55 108.37 1wfo n ASP 26 Ca 0.07 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 54.00 1wfo n ASP 26 Cb 0.57 0.00 0.04 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 -0.24 0.02 -1.53 2.12 0.24 -1.26 -4.53 118.33 113.15 1wfo n VAL 27 Ca 0.00 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.34 61.52 1wfo n VAL 27 Cb 0.00 -0.04 0.16 0.00 -1.47 0.00 0.00 33.84 32.50 1wfo n VAL 27 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wfo s PRO 28 N -1.99 0.60 0.00 7.34 0.04 -1.23 -4.85 135.00 134.91 1wfo s PRO 28 Ca 0.43 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1wfo s PRO 28 Cb -0.22 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1wfo s PRO 28 CO 0.80 -2.52 0.00 0.41 0.04 0.00 0.00 177.00 175.73 1wfo n GLY 29 N -2.28 0.52 3.75 0.56 0.00 -1.24 -2.97 105.19 103.52 1wfo n GLY 29 Ca 0.09 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.31 4.61 -0.48 1.61 0.04 -1.26 -4.11 135.00 134.09 1wfo s PRO 30 Ca 0.00 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 1wfo s PRO 30 Cb 0.00 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.31 1wfo s PRO 30 CO 0.00 0.12 1.45 -1.25 0.04 0.00 0.00 177.00 177.36 1wfo s PRO 31 N -0.75 3.41 0.57 0.56 0.04 -1.26 -4.70 135.00 132.86 1wfo s PRO 31 Ca 0.48 0.75 -0.02 0.00 0.04 0.00 0.00 61.00 62.25 1wfo s PRO 31 Cb -0.30 -4.09 0.03 0.00 0.04 0.00 0.00 34.50 30.17 1wfo s PRO 31 CO 0.37 -1.79 0.82 0.00 0.04 0.00 0.00 177.00 176.45 1wfo s MET 32 N 5.30 2.66 0.00 4.56 0.23 -1.25 -4.53 119.30 126.27 1wfo s MET 32 Ca 0.59 -0.46 0.00 0.00 -1.03 0.00 0.00 55.69 54.79 1wfo s MET 32 Cb -0.13 -2.40 0.00 0.00 -1.53 0.00 0.00 34.83 30.77 1wfo s MET 32 CO 0.29 -0.72 0.00 0.41 -2.03 0.00 0.00 175.02 172.97 1wfo n GLY 33 N -2.45 0.54 3.55 3.16 0.00 -1.26 -2.44 105.19 106.29 1wfo n GLY 33 Ca 0.06 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.79 5.00 0.06 -0.61 -1.09 -1.26 -3.91 121.20 116.60 1wfo s ILE 34 Ca 0.00 0.30 0.03 0.00 -2.23 0.00 0.00 60.65 58.75 1wfo s ILE 34 Cb 0.00 -3.99 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 1wfo s ILE 34 CO 0.00 -0.26 -0.10 -0.76 -1.23 0.00 0.00 174.94 172.59 1wfo s LEU 35 N 2.43 2.30 -0.55 2.97 1.43 -0.76 -5.01 118.68 121.48 1wfo s LEU 35 Ca 0.19 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1wfo s LEU 35 Cb -0.15 -0.26 0.14 0.00 0.03 0.00 0.00 46.19 45.95 1wfo s LEU 35 CO 0.14 -0.20 0.34 -0.36 0.23 0.00 0.00 176.35 176.50 1wfo s PHE 36 N -1.63 3.39 -0.08 0.29 0.08 -1.26 -1.29 117.98 117.49 1wfo s PHE 36 Ca -0.05 -2.82 -0.25 0.00 0.12 0.00 0.00 56.93 53.93 1wfo s PHE 36 Cb -0.08 -3.09 -0.21 0.00 -0.57 0.00 0.00 43.02 39.07 1wfo s PHE 36 CO 0.00 -0.84 0.94 -1.00 -0.10 0.00 0.00 175.22 174.23 1wfo h PRO 37 N 7.05 -0.04 -4.91 0.24 0.13 -1.94 -3.43 132.00 129.10 1wfo h PRO 37 Ca -0.05 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.41 1wfo h PRO 37 Cb 0.95 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 31.78 1wfo h PRO 37 CO 0.69 0.64 -0.73 -2.00 -0.23 0.00 0.00 178.00 176.37 1wfo s GLU 38 N -3.15 2.95 -0.09 0.86 2.12 -1.11 -5.06 118.70 115.22 1wfo s GLU 38 Ca -0.16 -0.91 -0.03 0.00 0.36 0.00 0.00 54.97 54.23 1wfo s GLU 38 Cb -0.01 -3.03 0.04 0.00 0.26 0.00 0.00 34.13 31.40 1wfo s GLU 38 CO 0.62 -0.37 0.09 0.08 -0.54 0.00 0.00 175.26 175.14 1wfo s VAL 39 N 1.37 -0.13 0.00 3.70 1.01 -1.26 0.16 120.40 125.25 1wfo s VAL 39 Ca 0.01 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1wfo s VAL 39 Cb -0.16 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1wfo s VAL 39 CO -0.04 0.02 0.00 0.54 0.00 0.00 0.00 175.10 175.63 1wfo n ARG 40 N 5.30 2.36 0.00 2.72 1.74 0.57 -4.71 116.66 124.65 1wfo n ARG 40 Ca -0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1wfo n ARG 40 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 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 -0.27 0.00 -0.09 0.55 -2.24 -1.26 -3.64 114.28 107.33 1wfo n THR 41 Ca 0.00 0.35 -0.06 0.00 -2.27 0.00 0.00 64.05 62.07 1wfo n THR 41 Cb 0.00 -0.74 0.14 0.00 -2.10 0.00 0.00 70.33 67.62 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 -0.40 1.87 -3.64 4.28 -2.24 -1.25 -4.27 114.28 108.64 1wfo n THR 42 Ca 0.00 -0.89 -0.09 0.00 -2.27 0.00 0.00 64.05 60.80 1wfo n THR 42 Cb 0.00 -0.60 -0.07 0.00 -2.10 0.00 0.00 70.33 67.56 1wfo n THR 42 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wfo s SER 43 N -0.26 -0.66 0.23 3.42 0.01 -1.26 -1.42 113.70 113.75 1wfo s SER 43 Ca 0.29 1.18 -0.05 0.00 1.31 0.00 0.00 55.95 58.68 1wfo s SER 43 Cb 0.24 1.23 -0.03 0.00 0.21 0.00 0.00 66.02 67.67 1wfo s SER 43 CO 0.07 -0.20 0.27 0.68 0.41 0.00 0.00 173.24 174.47 1wfo s VAL 44 N 0.80 0.00 -0.29 3.43 -7.23 0.21 0.21 120.40 117.53 1wfo s VAL 44 Ca -0.03 -1.77 -0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1wfo s VAL 44 Cb -0.05 -2.40 0.18 0.00 0.56 0.00 0.00 36.38 34.67 1wfo s VAL 44 CO -0.09 0.00 0.55 -0.60 -0.31 0.00 0.00 175.10 174.65 1wfo s ARG 45 N -4.05 0.52 0.41 4.82 3.52 0.43 -0.16 118.95 124.45 1wfo s ARG 45 Ca 0.33 0.82 0.08 0.00 -0.13 0.00 0.00 55.73 56.82 1wfo s ARG 45 Cb 0.04 0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.68 1wfo s ARG 45 CO 0.12 -0.70 0.34 -0.48 -0.81 0.00 0.00 175.30 173.77 1wfo s LEU 46 N 2.78 3.37 0.01 -0.88 2.34 -1.16 -2.74 118.68 122.39 1wfo s LEU 46 Ca 0.17 -0.77 0.01 0.00 0.06 0.00 0.00 54.13 53.60 1wfo s LEU 46 Cb -0.14 -1.98 -0.01 0.00 -0.56 0.00 0.00 46.19 43.50 1wfo s LEU 46 CO -0.21 -0.61 -0.04 0.27 -1.06 0.00 0.00 176.35 174.70 1wfo s ILE 47 N -2.48 0.31 0.41 1.48 -0.00 -0.41 -2.44 121.20 118.07 1wfo s ILE 47 Ca 0.46 -0.33 0.04 0.00 -0.00 0.00 0.00 60.65 60.82 1wfo s ILE 47 Cb -0.02 -0.30 -0.02 0.00 -0.00 0.00 0.00 42.46 42.12 1wfo s ILE 47 CO 0.27 -0.02 0.15 -1.66 -0.00 0.00 0.00 174.94 173.68 1wfo s TRP 48 N -0.36 1.78 0.15 1.37 -2.14 0.88 -1.83 118.94 118.79 1wfo s TRP 48 Ca -0.01 -1.36 0.03 0.00 2.66 0.00 0.00 56.10 57.42 1wfo s TRP 48 Cb -0.03 -1.10 -0.04 0.00 -3.10 0.00 0.00 33.47 29.19 1wfo s TRP 48 CO -0.00 -0.39 -0.06 -0.65 -2.66 0.00 0.00 176.95 173.19 1wfo s GLN 49 N -3.66 1.04 0.56 3.25 -0.21 -1.02 -4.68 119.66 114.94 1wfo s GLN 49 Ca 0.25 -1.46 -0.17 0.00 0.02 0.00 0.00 55.36 53.99 1wfo s GLN 49 Cb 0.02 -0.44 -0.05 0.00 1.00 0.00 0.00 33.01 33.53 1wfo s GLN 49 CO 0.16 -0.01 1.05 -1.25 -2.12 0.00 0.00 175.29 173.12 1wfo s PRO 50 N -3.82 3.51 -0.13 2.91 0.04 -1.26 -3.94 135.00 132.31 1wfo s PRO 50 Ca 0.18 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.15 1wfo s PRO 50 Cb 0.04 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1wfo s PRO 50 CO 0.01 -0.66 1.26 -1.25 0.04 0.00 0.00 177.00 176.40 1wfo s PRO 51 N -3.85 4.26 0.56 0.56 0.04 -1.26 -4.74 135.00 130.57 1wfo s PRO 51 Ca 0.64 1.68 0.42 0.00 0.04 0.00 0.00 61.00 63.78 1wfo s PRO 51 Cb -0.15 -3.72 1.56 0.00 0.04 0.00 0.00 34.50 32.23 1wfo s PRO 51 CO 0.32 -0.65 1.63 0.00 0.04 0.00 0.00 177.00 178.35 1wfo h ALA 52 N 8.04 3.42 -3.14 8.56 0.00 -1.94 -2.32 119.26 131.89 1wfo h ALA 52 Ca -0.29 -0.05 -0.66 0.00 0.00 0.00 0.00 54.91 53.91 1wfo h ALA 52 Cb 1.12 0.11 -0.39 0.00 0.00 0.00 0.00 17.79 18.63 1wfo h ALA 52 CO 0.95 -1.94 -0.46 0.00 0.00 0.00 0.00 179.25 177.80 1wfo s ALA 53 N -4.82 3.72 0.16 0.00 0.00 -1.26 -4.89 121.76 114.66 1wfo s ALA 53 Ca -0.05 -3.58 -0.01 0.00 0.00 0.00 0.00 51.96 48.32 1wfo s ALA 53 Cb 0.23 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.96 1wfo s ALA 53 CO 0.79 -2.09 1.37 -1.00 0.00 0.00 0.00 175.76 174.84 1wfo h PRO 54 N 6.13 0.35 -7.18 0.00 0.13 -1.81 -3.28 132.00 126.34 1wfo h PRO 54 Ca 0.05 -0.34 -0.63 0.00 -0.87 0.00 0.00 66.00 64.22 1wfo h PRO 54 Cb 0.84 0.09 -0.36 0.00 0.13 0.00 0.00 31.00 31.70 1wfo h PRO 54 CO 0.73 1.01 -0.92 0.09 -0.23 0.00 0.00 178.00 178.68 1wfo n ASN 55 N -3.76 -1.36 0.00 1.44 3.02 -1.26 -3.55 115.26 109.79 1wfo n ASN 55 Ca -0.05 -1.25 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 1wfo n ASN 55 Cb 0.78 -1.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 1wfo n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wfo n GLY 56 N -1.33 3.30 3.59 7.41 0.00 -1.26 -3.39 105.19 113.51 1wfo n GLY 56 Ca 0.04 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1wfo n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wfo s ILE 57 N -0.20 3.12 0.18 -0.61 1.09 -1.26 -4.88 121.20 118.64 1wfo s ILE 57 Ca 0.00 0.12 -0.33 0.00 -1.10 0.00 0.00 60.65 59.33 1wfo s ILE 57 Cb 0.00 -3.18 -0.14 0.00 -1.06 0.00 0.00 42.46 38.08 1wfo s ILE 57 CO 0.00 -0.13 1.46 -0.38 -0.10 0.00 0.00 174.94 175.80 1wfo n ILE 58 N 7.71 0.36 -0.02 2.92 2.08 -1.26 -4.49 119.36 126.65 1wfo n ILE 58 Ca 0.29 -0.09 0.04 0.00 0.56 0.00 0.00 62.75 63.55 1wfo n ILE 58 Cb 0.47 -1.38 -0.12 0.00 -0.75 0.00 0.00 39.64 37.86 1wfo n ILE 58 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1wfo n LEU 59 N 2.80 0.00 0.00 1.39 4.77 0.47 -4.76 117.00 121.68 1wfo n LEU 59 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1wfo n LEU 59 Cb 0.28 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1wfo n LEU 59 CO 0.63 0.10 0.00 0.00 -1.33 0.00 0.00 177.39 176.79 1wfo n ALA 60 N -2.19 0.00 -2.32 -1.18 0.00 -1.15 -3.49 120.51 110.18 1wfo n ALA 60 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 1wfo n ALA 60 Cb 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.93 1.28 -0.02 0.00 1.51 0.41 0.53 117.35 118.12 1wfo s TYR 61 Ca 0.00 -1.42 0.01 0.00 -1.01 0.00 0.00 57.07 54.66 1wfo s TYR 61 Cb 0.00 -0.53 0.01 0.00 -0.11 0.00 0.00 41.96 41.33 1wfo s TYR 61 CO 0.00 -0.75 -0.04 -1.14 -1.11 0.00 0.00 175.55 172.51 1wfo s GLN 62 N -3.89 0.56 -0.12 -0.62 0.74 0.18 0.18 119.66 116.70 1wfo s GLN 62 Ca 0.38 -0.11 0.00 0.00 0.05 0.00 0.00 55.36 55.69 1wfo s GLN 62 Cb 0.05 -0.59 0.02 0.00 1.10 0.00 0.00 33.01 33.59 1wfo s GLN 62 CO 0.17 -0.01 -0.10 0.42 -0.55 0.00 0.00 175.29 175.22 1wfo s ILE 63 N 0.49 1.17 -0.08 -2.34 1.01 0.22 -0.72 121.20 120.96 1wfo s ILE 63 Ca -0.06 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.23 1wfo s ILE 63 Cb -0.09 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 1wfo s ILE 63 CO -0.00 0.39 -0.19 0.42 0.00 0.00 0.00 174.94 175.55 1wfo s THR 64 N 1.53 2.56 -0.11 2.92 -4.23 -0.78 -0.43 115.64 117.11 1wfo s THR 64 Ca 0.03 -0.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.69 1wfo s THR 64 Cb -0.13 -2.00 -0.01 0.00 1.34 0.00 0.00 72.50 71.70 1wfo s THR 64 CO -0.07 0.56 -0.19 -1.38 -0.54 0.00 0.00 174.62 172.99 1wfo s HIS 65 N -0.05 2.66 -0.22 3.99 -3.43 -1.15 -1.52 115.29 115.58 1wfo s HIS 65 Ca -0.05 -0.82 -0.16 0.00 -0.80 0.00 0.00 55.06 53.23 1wfo s HIS 65 Cb -0.14 -1.76 0.06 0.00 -1.43 0.00 0.00 32.58 29.31 1wfo s HIS 65 CO 0.04 -0.29 0.55 -0.98 -2.00 0.00 0.00 174.74 172.06 1wfo s ARG 66 N 0.26 0.59 0.32 -0.38 1.70 -1.04 -3.07 118.95 117.34 1wfo s ARG 66 Ca -0.13 0.90 -0.29 0.00 -0.47 0.00 0.00 55.73 55.73 1wfo s ARG 66 Cb -0.17 0.17 -0.11 0.00 -0.57 0.00 0.00 34.95 34.28 1wfo s ARG 66 CO 0.07 -0.12 1.51 -0.51 -1.08 0.00 0.00 175.30 175.17 1wfo s LEU 67 N 0.96 4.35 0.00 -1.89 1.43 -1.26 0.06 118.68 122.33 1wfo s LEU 67 Ca -0.05 2.91 0.25 0.00 -1.03 0.00 0.00 54.13 56.21 1wfo s LEU 67 Cb -0.05 -3.65 1.49 0.00 0.03 0.00 0.00 46.19 44.01 1wfo s LEU 67 CO -0.09 -0.83 1.91 -3.20 0.23 0.00 0.00 176.35 174.37 1wfo n ASN 68 N 1.51 0.00 -3.28 2.29 5.15 0.19 -4.02 115.26 117.10 1wfo n ASN 68 Ca 0.05 -1.04 -0.24 0.00 -0.60 0.00 0.00 54.58 52.75 1wfo n ASN 68 Cb 0.39 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.56 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 -0.93 -0.99 -3.60 -0.44 -2.24 -1.26 -5.05 114.28 99.77 1wfo n THR 69 Ca 0.19 -3.22 -0.07 0.00 -2.27 0.00 0.00 64.05 58.68 1wfo n THR 69 Cb 0.09 -1.36 0.02 0.00 -2.10 0.00 0.00 70.33 66.98 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 2.59 0.00 1.85 4.28 -2.24 -1.26 -5.00 114.28 114.50 1wfo n THR 70 Ca 0.27 -0.75 0.13 0.00 -2.27 0.00 0.00 64.05 61.42 1wfo n THR 70 Cb 0.50 0.73 0.75 0.00 -2.10 0.00 0.00 70.33 70.22 1wfo n THR 70 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1wfo n THR 71 N -0.40 0.00 0.00 4.28 -1.04 -1.26 -4.93 114.28 110.94 1wfo n THR 71 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1wfo n THR 71 Cb 0.44 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 1wfo n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wfo n ALA 72 N -0.93 0.00 0.00 2.41 0.00 -1.26 -4.80 120.51 115.93 1wfo n ALA 72 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1wfo n ALA 72 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1wfo n ALA 72 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wfo n ASN 73 N 5.07 0.00 -3.67 0.00 5.15 -1.26 -4.65 115.26 115.91 1wfo n ASN 73 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 1wfo n ASN 73 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 1wfo n ASN 73 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1wfo s THR 74 N 0.00 0.00 -0.06 -0.44 2.01 -1.26 -5.16 115.64 110.72 1wfo s THR 74 Ca 0.00 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1wfo s THR 74 Cb 0.00 -1.57 0.01 0.00 0.01 0.00 0.00 72.50 70.95 1wfo s THR 74 CO 0.00 0.00 -0.12 0.00 -0.69 0.00 0.00 174.62 173.81 1wfo s ALA 75 N -3.76 1.21 -0.68 7.40 0.00 -1.26 -4.95 121.76 119.71 1wfo s ALA 75 Ca 0.07 -0.39 -0.26 0.00 0.00 0.00 0.00 51.96 51.38 1wfo s ALA 75 Cb -0.03 -0.55 -0.08 0.00 0.00 0.00 0.00 23.12 22.45 1wfo s ALA 75 CO -0.02 0.11 2.24 0.99 0.00 0.00 0.00 175.76 179.08 1wfo s THR 76 N 0.67 3.14 0.31 0.00 2.01 -1.18 -4.81 115.64 115.78 1wfo s THR 76 Ca -0.14 -0.03 -0.22 0.00 0.31 0.00 0.00 61.69 61.61 1wfo s THR 76 Cb -0.16 -3.33 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 1wfo s THR 76 CO 0.03 -0.32 0.85 -0.69 -0.69 0.00 0.00 174.62 173.81 1wfo s VAL 77 N 12.24 4.42 -0.03 3.82 1.01 -1.26 -2.92 120.40 137.67 1wfo s VAL 77 Ca 0.86 1.48 -0.01 0.00 0.00 0.00 0.00 61.98 64.31 1wfo s VAL 77 Cb -0.13 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1wfo s VAL 77 CO 0.14 0.03 0.07 -0.70 0.00 0.00 0.00 175.10 174.64 1wfo s GLU 78 N -2.36 0.04 -0.13 2.72 2.12 0.43 -4.97 118.70 116.55 1wfo s GLU 78 Ca 0.51 0.18 -0.16 0.00 0.36 0.00 0.00 54.97 55.86 1wfo s GLU 78 Cb -0.15 -0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.09 1wfo s GLU 78 CO 0.20 -0.09 0.38 0.08 -0.54 0.00 0.00 175.26 175.28 1wfo s VAL 79 N 0.62 5.24 0.45 3.70 1.01 -1.26 0.71 120.40 130.87 1wfo s VAL 79 Ca -0.05 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.73 1wfo s VAL 79 Cb -0.07 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1wfo s VAL 79 CO -0.02 0.38 0.22 -0.76 0.00 0.00 0.00 175.10 174.92 1wfo s LEU 80 N 0.43 2.97 0.78 3.92 1.43 0.49 -4.92 118.68 123.77 1wfo s LEU 80 Ca 0.21 -1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 52.04 1wfo s LEU 80 Cb -0.14 -1.36 0.06 0.00 0.03 0.00 0.00 46.19 44.77 1wfo s LEU 80 CO 0.07 -0.70 1.13 0.00 0.23 0.00 0.00 176.35 177.08 1wfo s ALA 81 N -2.65 2.61 -1.90 4.21 0.00 -1.26 -0.45 121.76 122.31 1wfo s ALA 81 Ca 0.37 -0.45 0.24 0.00 0.00 0.00 0.00 51.96 52.11 1wfo s ALA 81 Cb 0.02 -3.01 1.38 0.00 0.00 0.00 0.00 23.12 21.50 1wfo s ALA 81 CO 0.21 -1.53 1.79 -0.35 0.00 0.00 0.00 175.76 175.88 1wfo n PRO 82 N -3.25 0.67 -1.24 0.00 -0.04 -1.23 -2.58 135.00 127.33 1wfo n PRO 82 Ca 0.07 0.01 -0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1wfo n PRO 82 Cb 0.59 -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 -1.05 2.87 -4.47 3.54 3.41 -1.26 -4.84 113.62 111.81 1wfo n SER 83 Ca 0.17 -3.71 -0.40 0.00 -0.26 0.00 0.00 58.87 54.67 1wfo n SER 83 Cb 0.10 -0.45 -0.11 0.00 -0.26 0.00 0.00 64.21 63.49 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 -3.24 3.39 -0.10 7.33 0.00 -1.07 -4.91 121.76 123.16 1wfo s ALA 84 Ca 0.42 -1.45 0.21 0.00 0.00 0.00 0.00 51.96 51.14 1wfo s ALA 84 Cb 0.38 -2.56 -0.26 0.00 0.00 0.00 0.00 23.12 20.68 1wfo s ALA 84 CO -0.03 -1.03 0.49 0.54 0.00 0.00 0.00 175.76 175.73 1wfo n ARG 85 N 5.05 0.66 -4.01 0.00 5.12 -1.26 -4.94 116.66 117.27 1wfo n ARG 85 Ca -0.13 -0.08 -0.09 0.00 -1.93 0.00 0.00 57.85 55.62 1wfo n ARG 85 Cb 0.49 -1.58 -0.08 0.00 -1.16 0.00 0.00 32.46 30.12 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 -3.23 0.97 -0.10 5.56 -2.07 -1.26 -0.08 119.66 119.45 1wfo s GLN 86 Ca -0.07 -1.22 -0.08 0.00 -1.82 0.00 0.00 55.36 52.16 1wfo s GLN 86 Cb 0.11 0.31 0.03 0.00 -1.09 0.00 0.00 33.01 32.37 1wfo s GLN 86 CO 0.87 -0.31 0.26 -0.47 -1.32 0.00 0.00 175.29 174.32 1wfo s TYR 87 N -3.97 -0.29 -0.15 9.60 6.14 -1.02 -5.02 117.35 122.64 1wfo s TYR 87 Ca 0.16 0.71 -0.16 0.00 0.64 0.00 0.00 57.07 58.42 1wfo s TYR 87 Cb 0.05 0.09 -0.04 0.00 0.42 0.00 0.00 41.96 42.48 1wfo s TYR 87 CO -0.03 -0.15 0.39 0.99 0.64 0.00 0.00 175.55 177.40 1wfo s THR 88 N 0.29 5.24 -0.27 4.34 2.01 -1.26 -3.01 115.64 122.97 1wfo s THR 88 Ca -0.01 0.76 -0.04 0.00 0.31 0.00 0.00 61.69 62.71 1wfo s THR 88 Cb -0.03 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1wfo s THR 88 CO -0.01 0.34 0.01 0.00 -0.69 0.00 0.00 174.62 174.28 1wfo s ALA 89 N 0.64 2.89 0.34 7.40 0.00 0.78 -4.98 121.76 128.84 1wfo s ALA 89 Ca 0.21 -1.45 0.10 0.00 0.00 0.00 0.00 51.96 50.82 1wfo s ALA 89 Cb -0.14 -1.93 -0.06 0.00 0.00 0.00 0.00 23.12 20.99 1wfo s ALA 89 CO 0.07 -0.86 -0.10 0.95 0.00 0.00 0.00 175.76 175.83 1wfo s THR 90 N 1.42 2.27 -0.44 0.00 -4.23 -1.26 0.65 115.64 114.04 1wfo s THR 90 Ca 0.02 -2.21 -0.00 0.00 -1.18 0.00 0.00 61.69 58.31 1wfo s THR 90 Cb -0.17 -2.63 -0.00 0.00 1.34 0.00 0.00 72.50 71.04 1wfo s THR 90 CO -0.01 -0.21 0.37 0.61 -0.54 0.00 0.00 174.62 174.84 1wfo n GLY 91 N -0.79 0.14 3.48 3.99 0.00 -0.51 -4.94 105.19 106.56 1wfo n GLY 91 Ca -0.05 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.68 2.62 -0.08 0.99 1.43 -1.18 -5.03 118.68 113.75 1wfo s LEU 92 Ca 0.02 -0.98 -0.17 0.00 -1.03 0.00 0.00 54.13 51.97 1wfo s LEU 92 Cb -0.00 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 45.01 1wfo s LEU 92 CO 0.28 0.05 0.44 -0.75 0.23 0.00 0.00 176.35 176.59 1wfo s LYS 93 N -3.42 4.20 0.77 1.70 2.20 -1.26 -3.80 119.74 120.12 1wfo s LYS 93 Ca 0.29 0.41 -0.11 0.00 -0.36 0.00 0.00 55.97 56.20 1wfo s LYS 93 Cb -0.05 -3.36 0.05 0.00 -1.51 0.00 0.00 37.83 32.95 1wfo s LYS 93 CO 0.15 0.35 1.09 -1.25 -0.36 0.00 0.00 175.35 175.32 1wfo s PRO 94 N 0.01 2.36 -1.07 4.03 0.04 -1.26 -4.04 135.00 135.06 1wfo s PRO 94 Ca 0.24 0.74 -0.05 0.00 0.04 0.00 0.00 61.00 61.97 1wfo s PRO 94 Cb -0.16 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1wfo s PRO 94 CO 0.11 -1.45 0.92 0.39 0.04 0.00 0.00 177.00 177.01 1wfo n GLU 95 N -3.34 -6.19 -3.91 4.56 -0.58 1.00 -4.98 120.64 107.20 1wfo n GLU 95 Ca 0.07 0.68 -0.11 0.00 -0.42 0.00 0.00 57.16 57.38 1wfo n GLU 95 Cb 0.55 -5.26 0.00 0.00 -0.57 0.00 0.00 31.44 26.17 1wfo n GLU 95 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1wfo s SER 96 N -3.52 0.37 -0.04 1.62 0.01 -1.24 -4.97 113.70 105.93 1wfo s SER 96 Ca 0.34 -1.29 0.06 0.00 1.31 0.00 0.00 55.95 56.36 1wfo s SER 96 Cb -0.15 0.79 -0.01 0.00 0.21 0.00 0.00 66.02 66.86 1wfo s SER 96 CO 0.60 -1.56 -0.21 0.68 0.41 0.00 0.00 173.24 173.15 1wfo s VAL 97 N -2.52 1.73 -0.15 3.43 -7.23 -1.26 0.38 120.40 114.79 1wfo s VAL 97 Ca 0.21 -0.91 0.01 0.00 -1.81 0.00 0.00 61.98 59.49 1wfo s VAL 97 Cb -0.03 -1.46 0.02 0.00 0.56 0.00 0.00 36.38 35.47 1wfo s VAL 97 CO 0.15 0.49 -0.17 -0.31 -0.31 0.00 0.00 175.10 174.94 1wfo s TYR 98 N -0.25 2.38 0.27 2.82 1.51 0.12 -0.64 117.35 123.56 1wfo s TYR 98 Ca 0.01 -1.29 -0.29 0.00 -1.01 0.00 0.00 57.07 54.49 1wfo s TYR 98 Cb -0.11 -1.68 -0.09 0.00 -0.11 0.00 0.00 41.96 39.97 1wfo s TYR 98 CO 0.01 -0.65 0.97 -1.17 -1.11 0.00 0.00 175.55 173.59 1wfo s LEU 99 N 1.21 4.56 -0.26 -1.29 2.96 0.11 -1.32 118.68 124.66 1wfo s LEU 99 Ca 0.00 1.97 0.03 0.00 -0.22 0.00 0.00 54.13 55.91 1wfo s LEU 99 Cb -0.14 -3.71 0.06 0.00 0.50 0.00 0.00 46.19 42.90 1wfo s LEU 99 CO -0.08 0.06 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.54 1wfo s PHE 100 N -1.28 3.19 -0.44 5.38 0.40 0.54 -2.48 117.98 123.29 1wfo s PHE 100 Ca 0.44 -2.28 -0.16 0.00 -0.60 0.00 0.00 56.93 54.33 1wfo s PHE 100 Cb -0.25 -1.90 0.04 0.00 0.51 0.00 0.00 43.02 41.42 1wfo s PHE 100 CO 0.31 -0.87 0.38 0.50 0.70 0.00 0.00 175.22 176.24 1wfo s ARG 101 N 1.13 3.00 -0.11 0.44 3.52 -0.58 -0.36 118.95 126.00 1wfo s ARG 101 Ca -0.09 -1.10 -0.09 0.00 -0.13 0.00 0.00 55.73 54.32 1wfo s ARG 101 Cb -0.20 -4.04 -0.05 0.00 -1.56 0.00 0.00 34.95 29.10 1wfo s ARG 101 CO -0.05 -0.90 0.21 0.42 -0.81 0.00 0.00 175.30 174.16 1wfo s ILE 102 N 1.79 5.38 0.09 4.11 1.01 -0.06 -1.87 121.20 131.66 1wfo s ILE 102 Ca 0.06 0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.97 1wfo s ILE 102 Cb -0.21 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.78 1wfo s ILE 102 CO 0.09 0.57 0.23 -0.89 0.00 0.00 0.00 174.94 174.95 1wfo s THR 103 N -0.75 0.12 0.21 2.92 2.01 0.11 -0.77 115.64 119.49 1wfo s THR 103 Ca 0.16 -1.03 0.10 0.00 0.31 0.00 0.00 61.69 61.23 1wfo s THR 103 Cb -0.13 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1wfo s THR 103 CO 0.05 -0.57 -0.12 0.00 -0.69 0.00 0.00 174.62 173.29 1wfo s ALA 104 N -3.71 2.88 -0.14 7.40 0.00 -1.26 0.51 121.76 127.42 1wfo s ALA 104 Ca 0.04 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.43 1wfo s ALA 104 Cb 0.04 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1wfo s ALA 104 CO -0.10 0.40 -0.21 -1.14 0.00 0.00 0.00 175.76 174.71 1wfo s GLN 105 N -3.02 2.93 0.00 0.00 0.74 0.19 -3.51 119.66 116.98 1wfo s GLN 105 Ca 0.26 -0.82 0.00 0.00 0.05 0.00 0.00 55.36 54.85 1wfo s GLN 105 Cb -0.08 -2.40 0.00 0.00 1.10 0.00 0.00 33.01 31.63 1wfo s GLN 105 CO 0.15 -0.06 0.00 0.25 -0.55 0.00 0.00 175.29 175.08 1wfo n THR 106 N 4.19 0.00 0.80 -0.34 -2.24 -0.41 0.18 114.28 116.46 1wfo n THR 106 Ca -0.20 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1wfo n THR 106 Cb 0.51 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 69.21 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 0.10 -0.11 -0.78 1.85 -1.26 -3.05 116.66 113.41 1wfo n ARG 107 Ca 0.00 0.13 -0.24 0.00 -1.00 0.00 0.00 57.85 56.74 1wfo n ARG 107 Cb 0.00 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 29.80 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 -1.43 0.63 0.00 2.89 4.76 -1.26 -5.09 118.16 118.66 1wfo n LYS 108 Ca 0.07 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 1wfo n LYS 108 Cb 0.22 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 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 1.69 -0.19 3.46 0.72 0.00 -1.17 -4.94 105.19 104.77 1wfo n GLY 109 Ca -0.45 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 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 3.10 0.00 1.61 0.52 -1.26 -1.29 118.94 117.62 1wfo s TRP 110 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 56.10 55.76 1wfo s TRP 110 Cb 0.00 -2.25 0.00 0.00 -1.15 0.00 0.00 33.47 30.07 1wfo s TRP 110 CO 0.00 -0.33 0.00 0.41 0.02 0.00 0.00 176.95 177.05 1wfo n GLY 111 N 4.90 0.18 3.16 0.98 0.00 -1.23 -4.97 105.19 108.22 1wfo n GLY 111 Ca -0.16 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.23 -3.81 1.61 2.13 -1.16 -4.79 120.64 113.38 1wfo n GLU 112 Ca 0.00 -0.35 -0.14 0.00 0.66 0.00 0.00 57.16 57.33 1wfo n GLU 112 Cb 0.00 -1.47 -0.15 0.00 0.27 0.00 0.00 31.44 30.09 1wfo n GLU 112 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wfo s ALA 113 N -2.15 0.05 -0.30 4.31 0.00 -1.26 -4.49 121.76 117.93 1wfo s ALA 113 Ca 0.48 0.18 -0.18 0.00 0.00 0.00 0.00 51.96 52.44 1wfo s ALA 113 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 1wfo s ALA 113 CO 0.62 -0.07 0.51 0.00 0.00 0.00 0.00 175.76 176.82 1wfo s ALA 114 N 0.65 3.54 -0.26 0.00 0.00 0.05 -4.84 121.76 120.90 1wfo s ALA 114 Ca -0.05 -0.78 -0.14 0.00 0.00 0.00 0.00 51.96 50.98 1wfo s ALA 114 Cb -0.08 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1wfo s ALA 114 CO -0.02 -0.93 0.33 -1.21 0.00 0.00 0.00 175.76 173.93 1wfo s GLU 115 N 2.34 4.03 -0.09 0.00 2.02 -1.25 -0.88 118.70 124.87 1wfo s GLU 115 Ca 0.20 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.16 1wfo s GLU 115 Cb -0.15 -3.63 0.02 0.00 0.10 0.00 0.00 34.13 30.47 1wfo s GLU 115 CO 0.11 -0.20 -0.08 0.00 0.02 0.00 0.00 175.26 175.11 1wfo s ALA 116 N 1.82 1.21 0.11 5.21 0.00 0.52 -4.89 121.76 125.75 1wfo s ALA 116 Ca 0.13 -0.45 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 1wfo s ALA 116 Cb -0.15 -0.78 -0.06 0.00 0.00 0.00 0.00 23.12 22.13 1wfo s ALA 116 CO 0.09 -0.26 0.43 -0.51 0.00 0.00 0.00 175.76 175.51 1wfo s LEU 117 N 1.42 4.31 -0.12 0.00 1.43 -1.26 0.20 118.68 124.66 1wfo s LEU 117 Ca -0.01 0.80 -0.06 0.00 -1.03 0.00 0.00 54.13 53.83 1wfo s LEU 117 Cb -0.13 -3.15 0.05 0.00 0.03 0.00 0.00 46.19 42.99 1wfo s LEU 117 CO -0.05 0.12 0.28 0.54 0.23 0.00 0.00 176.35 177.47 1wfo s VAL 118 N -1.50 -0.14 0.18 -1.59 0.11 -0.43 -4.94 120.40 112.10 1wfo s VAL 118 Ca 0.37 0.17 -0.18 0.00 -2.93 0.00 0.00 61.98 59.40 1wfo s VAL 118 Cb -0.13 -0.44 -0.08 0.00 -1.53 0.00 0.00 36.38 34.20 1wfo s VAL 118 CO 0.20 0.07 0.65 -0.69 -3.33 0.00 0.00 175.10 172.00 1wfo s VAL 119 N 1.57 4.68 -0.32 2.04 1.01 -1.26 0.11 120.40 128.23 1wfo s VAL 119 Ca -0.07 1.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.91 1wfo s VAL 119 Cb -0.10 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1wfo s VAL 119 CO -0.09 0.25 0.21 0.42 0.00 0.00 0.00 175.10 175.89 1wfo s THR 120 N -1.47 5.16 -0.06 3.92 -4.23 0.16 -4.86 115.64 114.26 1wfo s THR 120 Ca 0.40 -0.18 -0.32 0.00 -1.18 0.00 0.00 61.69 60.41 1wfo s THR 120 Cb -0.16 -3.61 0.13 0.00 1.34 0.00 0.00 72.50 70.20 1wfo s THR 120 CO 0.20 0.05 1.33 0.28 -0.54 0.00 0.00 174.62 175.95 1wfo s THR 121 N 1.71 0.00 -0.45 3.99 -1.32 -1.24 -0.00 115.64 118.33 1wfo s THR 121 Ca 0.06 -0.13 -0.11 0.00 -1.21 0.00 0.00 61.69 60.29 1wfo s THR 121 Cb -0.17 -1.88 0.09 0.00 -1.51 0.00 0.00 72.50 69.02 1wfo s THR 121 CO 0.10 0.00 0.32 -1.61 -2.21 0.00 0.00 174.62 171.22 1wfo s GLU 122 N -2.29 2.71 -0.31 7.08 2.02 -1.26 -4.51 118.70 122.14 1wfo s GLU 122 Ca 0.14 -1.49 0.02 0.00 0.02 0.00 0.00 54.97 53.66 1wfo s GLU 122 Cb 0.05 -3.93 0.08 0.00 0.10 0.00 0.00 34.13 30.43 1wfo s GLU 122 CO -0.05 -1.03 -0.00 0.21 0.02 0.00 0.00 175.26 174.41 1wfo s LYS 123 N 1.48 2.03 -0.94 1.61 2.20 -1.26 -5.05 119.74 119.82 1wfo s LYS 123 Ca 0.04 -1.54 -0.22 0.00 -0.36 0.00 0.00 55.97 53.88 1wfo s LYS 123 Cb -0.24 -3.13 0.08 0.00 -1.51 0.00 0.00 37.83 33.03 1wfo s LYS 123 CO 0.03 -0.75 1.29 0.50 -0.36 0.00 0.00 175.35 176.07 1wfo s ARG 124 N 1.08 3.52 -0.02 4.03 3.00 -1.26 -4.71 118.95 124.58 1wfo s ARG 124 Ca -0.00 -1.21 -0.04 0.00 -1.00 0.00 0.00 55.73 53.48 1wfo s ARG 124 Cb -0.20 -5.02 -0.01 0.00 0.00 0.00 0.00 34.95 29.72 1wfo s ARG 124 CO -0.05 -2.04 -0.07 0.45 0.00 0.00 0.00 175.30 173.59 1wfo n SER 125 N 8.11 0.58 0.00 -2.12 2.88 -1.26 -5.16 113.62 116.64 1wfo n SER 125 Ca 0.24 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1wfo n SER 125 Cb 0.50 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1wfo n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfo n GLY 126 N 2.40 1.15 3.12 0.46 0.00 -1.26 -5.10 105.19 105.96 1wfo n GLY 126 Ca -0.03 -2.26 -0.25 0.00 0.00 0.00 0.00 46.02 43.48 1wfo n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfo n PRO 127 N -1.11 -1.94 -3.73 1.61 -0.04 -1.26 -5.10 135.00 123.43 1wfo n PRO 127 Ca 0.00 -1.61 -0.04 0.00 -0.04 0.00 0.00 63.50 61.81 1wfo n PRO 127 Cb 0.00 -1.27 -0.01 0.00 -0.04 0.00 0.00 33.50 32.18 1wfo n PRO 127 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wfo s SER 128 N -4.57 -0.20 -0.08 3.54 0.01 -1.26 -5.08 113.70 106.06 1wfo s SER 128 Ca 0.62 -0.37 -0.07 0.00 1.31 0.00 0.00 55.95 57.44 1wfo s SER 128 Cb -0.04 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 1wfo s SER 128 CO 0.45 -0.90 0.27 0.28 0.41 0.00 0.00 173.24 173.75 1wfo h SER 129 N 2.00 -0.16 0.00 2.44 0.02 -2.08 -3.58 113.55 112.19 1wfo h SER 129 Ca -0.24 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1wfo h SER 129 Cb 1.23 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1wfo h SER 129 CO 0.26 0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.89