#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 -0.11 0.01 1.61 0.01 -1.26 -5.19 113.70 108.77 1wfo s SER 2 Ca 0.00 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 1wfo s SER 2 Cb 0.00 0.25 0.11 0.00 0.21 0.00 0.00 66.02 66.59 1wfo s SER 2 CO 0.00 -0.45 1.24 -0.55 0.41 0.00 0.00 173.24 173.89 1wfo s SER 3 N -2.83 -0.07 0.33 2.44 0.15 -1.26 -5.19 113.70 107.27 1wfo s SER 3 Ca 0.12 -0.18 -0.18 0.00 0.70 0.00 0.00 55.95 56.42 1wfo s SER 3 Cb 0.02 0.21 0.04 0.00 -1.71 0.00 0.00 66.02 64.58 1wfo s SER 3 CO -0.03 -0.39 0.78 -0.83 1.20 0.00 0.00 173.24 173.97 1wfo s GLY 4 N -2.99 0.16 0.21 9.45 0.00 -1.26 -5.19 107.32 107.71 1wfo s GLY 4 Ca 0.14 -0.54 -0.23 0.00 0.00 0.00 0.00 44.72 44.09 1wfo s GLY 4 CO -0.03 -0.12 0.86 -0.45 0.00 0.00 0.00 173.10 173.35 1wfo s SER 5 N -3.02 -0.20 0.16 1.64 0.15 -1.26 -5.19 113.70 105.98 1wfo s SER 5 Ca 0.14 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1wfo s SER 5 Cb -0.05 0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 1wfo s SER 5 CO 0.09 -1.11 0.03 -0.94 1.20 0.00 0.00 173.24 172.51 1wfo s SER 6 N -2.95 0.81 0.03 5.45 1.04 -1.26 -5.17 113.70 111.65 1wfo s SER 6 Ca 0.12 -1.20 -0.28 0.00 0.48 0.00 0.00 55.95 55.07 1wfo s SER 6 Cb -0.03 0.20 0.10 0.00 0.10 0.00 0.00 66.02 66.38 1wfo s SER 6 CO 0.05 -0.65 0.85 -0.83 0.98 0.00 0.00 173.24 173.63 1wfo s GLY 7 N -3.13 -0.48 -0.29 7.32 0.00 -1.26 -5.14 107.32 104.34 1wfo s GLY 7 Ca 0.25 0.90 0.02 0.00 0.00 0.00 0.00 44.72 45.89 1wfo s GLY 7 CO 0.04 0.30 0.42 0.50 0.00 0.00 0.00 173.10 174.35 1wfo s ARG 8 N -3.22 0.43 0.29 2.90 3.00 -1.26 -5.15 118.95 115.94 1wfo s ARG 8 Ca 0.05 0.10 0.10 0.00 0.00 0.00 0.00 55.73 55.98 1wfo s ARG 8 Cb -0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 34.95 34.59 1wfo s ARG 8 CO -0.09 -1.05 -0.15 0.96 0.00 0.00 0.00 175.30 174.97 1wfo s ILE 9 N 2.51 2.25 0.20 1.52 -4.36 -1.26 -5.15 121.20 116.91 1wfo s ILE 9 Ca 0.10 -2.31 -0.08 0.00 -0.26 0.00 0.00 60.65 58.10 1wfo s ILE 9 Cb -0.12 -2.37 0.03 0.00 1.25 0.00 0.00 42.46 41.25 1wfo s ILE 9 CO -0.29 -0.36 0.42 0.61 0.24 0.00 0.00 174.94 175.56 1wfo n GLY 10 N -0.63 1.42 3.50 6.27 0.00 -1.26 -5.17 105.19 109.32 1wfo n GLY 10 Ca -0.05 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.09 -0.57 0.24 1.61 -1.08 -1.26 -5.13 116.67 108.39 1wfo s ASP 11 Ca 0.09 0.83 0.00 0.00 -0.52 0.00 0.00 52.55 52.94 1wfo s ASP 11 Cb -0.02 1.52 0.00 0.00 -1.46 0.00 0.00 42.92 42.96 1wfo s ASP 11 CO 0.06 -0.12 0.00 0.61 0.52 0.00 0.00 175.17 176.24 1wfo n GLY 12 N 4.54 -4.36 0.00 2.66 0.00 -1.26 -5.11 105.19 101.66 1wfo n GLY 12 Ca -0.13 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1wfo n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfo n SER 13 N 0.07 0.00 -0.00 1.61 7.64 -1.26 -5.06 113.62 116.61 1wfo n SER 13 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1wfo n SER 13 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1wfo n SER 13 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1wfo h PRO 14 N 0.00 -0.10 -3.97 1.43 0.13 -2.09 -3.49 132.00 123.91 1wfo h PRO 14 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wfo h PRO 14 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1wfo h PRO 14 CO 0.00 0.46 -0.32 0.45 -0.23 0.00 0.00 178.00 178.36 1wfo n SER 15 N -4.81 -4.62 -4.87 1.44 2.88 -1.26 -5.03 113.62 97.34 1wfo n SER 15 Ca -0.08 0.42 -0.31 0.00 -1.33 0.00 0.00 58.87 57.58 1wfo n SER 15 Cb 0.30 -2.91 0.01 0.00 -0.75 0.00 0.00 64.21 60.85 1wfo n SER 15 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1wfo s HIS 16 N -1.24 3.62 0.37 0.66 3.76 -1.26 -5.03 115.29 116.17 1wfo s HIS 16 Ca 0.06 1.25 -0.25 0.00 -0.15 0.00 0.00 55.06 55.97 1wfo s HIS 16 Cb -0.02 -2.69 -0.09 0.00 1.11 0.00 0.00 32.58 30.89 1wfo s HIS 16 CO 0.34 -0.66 1.06 -1.25 -0.85 0.00 0.00 174.74 173.38 1wfo s PRO 17 N -5.15 4.27 0.39 8.40 0.04 -1.26 -5.02 135.00 136.67 1wfo s PRO 17 Ca 0.54 1.58 -0.24 0.00 0.04 0.00 0.00 61.00 62.92 1wfo s PRO 17 Cb -0.11 -2.69 -0.09 0.00 0.04 0.00 0.00 34.50 31.65 1wfo s PRO 17 CO 0.53 -0.06 1.06 -1.25 0.04 0.00 0.00 177.00 177.32 1wfo s PRO 18 N -2.25 4.20 -0.16 0.56 0.04 -1.26 -5.03 135.00 131.10 1wfo s PRO 18 Ca 0.55 1.54 -0.13 0.00 0.04 0.00 0.00 61.00 63.00 1wfo s PRO 18 Cb -0.24 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.65 1wfo s PRO 18 CO 0.31 -0.12 0.26 0.42 0.04 0.00 0.00 177.00 177.91 1wfo s ILE 19 N -1.61 5.32 -0.51 0.56 1.01 -1.26 -5.04 121.20 119.68 1wfo s ILE 19 Ca 0.57 0.48 0.03 0.00 0.00 0.00 0.00 60.65 61.73 1wfo s ILE 19 Cb -0.23 -3.59 0.15 0.00 0.01 0.00 0.00 42.46 38.80 1wfo s ILE 19 CO 0.29 0.42 0.33 -0.22 0.00 0.00 0.00 174.94 175.76 1wfo s LEU 20 N 0.27 2.97 -0.42 2.97 0.20 -1.26 -4.94 118.68 118.47 1wfo s LEU 20 Ca 0.15 -3.07 0.09 0.00 0.69 0.00 0.00 54.13 51.99 1wfo s LEU 20 Cb -0.13 -1.06 0.31 0.00 -0.43 0.00 0.00 46.19 44.89 1wfo s LEU 20 CO 0.03 -0.19 0.84 -0.62 -0.29 0.00 0.00 176.35 176.12 1wfo n GLU 21 N 2.94 0.92 -2.76 1.98 1.02 -1.26 -5.01 120.64 118.47 1wfo n GLU 21 Ca 0.17 -2.69 -0.01 0.00 -0.02 0.00 0.00 57.16 54.60 1wfo n GLU 21 Cb 0.38 -1.39 0.02 0.00 -0.02 0.00 0.00 31.44 30.43 1wfo n GLU 21 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1wfo s ARG 22 N -0.98 0.35 -0.11 3.49 3.52 -1.26 -5.06 118.95 118.89 1wfo s ARG 22 Ca 0.33 -0.25 -0.03 0.00 -0.13 0.00 0.00 55.73 55.64 1wfo s ARG 22 Cb 0.29 0.01 -0.01 0.00 -1.56 0.00 0.00 34.95 33.67 1wfo s ARG 22 CO -0.10 -0.46 -0.05 1.15 -0.81 0.00 0.00 175.30 175.03 1wfo h THR 23 N 3.36 0.00 -3.04 4.11 2.02 -2.03 -3.47 112.91 113.86 1wfo h THR 23 Ca -0.00 -0.99 -0.40 0.00 0.77 0.00 0.00 66.41 65.79 1wfo h THR 23 Cb 1.19 0.00 0.22 0.00 -1.74 0.00 0.00 68.15 67.82 1wfo h THR 23 CO -0.07 0.00 -0.10 -0.76 0.37 0.00 0.00 175.52 174.97 1wfo s LEU 24 N -8.39 -0.47 -0.29 2.58 2.01 -1.26 -5.06 118.68 107.79 1wfo s LEU 24 Ca -0.04 1.18 -0.16 0.00 0.01 0.00 0.00 54.13 55.12 1wfo s LEU 24 Cb 0.01 -2.77 0.12 0.00 0.01 0.00 0.00 46.19 43.56 1wfo s LEU 24 CO 0.06 -5.04 0.87 -0.62 1.01 0.00 0.00 176.35 172.63 1wfo s ASP 25 N -2.73 -0.67 0.00 2.29 -1.08 -1.26 -5.00 116.67 108.22 1wfo s ASP 25 Ca 0.69 1.06 0.00 0.00 -0.52 0.00 0.00 52.55 53.78 1wfo s ASP 25 Cb -0.19 1.29 0.00 0.00 -1.46 0.00 0.00 42.92 42.56 1wfo s ASP 25 CO 0.62 -0.17 0.00 -0.90 0.52 0.00 0.00 175.17 175.24 1wfo n ASP 26 N 3.96 0.00 -4.13 -0.34 5.68 -1.19 -5.12 116.55 115.40 1wfo n ASP 26 Ca -0.19 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.75 1wfo n ASP 26 Cb 0.58 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.62 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 -0.25 0.08 -1.83 2.12 0.24 -1.26 -4.44 118.33 112.99 1wfo n VAL 27 Ca 0.00 -0.43 -0.32 0.00 -2.04 0.00 0.00 64.34 61.56 1wfo n VAL 27 Cb 0.00 -0.17 0.03 0.00 -1.47 0.00 0.00 33.84 32.23 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 -2.32 3.17 0.14 7.34 0.04 -1.21 -4.84 135.00 137.32 1wfo s PRO 28 Ca 0.46 1.06 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 1wfo s PRO 28 Cb -0.22 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1wfo s PRO 28 CO 0.77 -0.92 0.15 0.41 0.04 0.00 0.00 177.00 177.45 1wfo n GLY 29 N -1.54 -2.03 3.76 0.56 0.00 -1.23 -2.50 105.19 102.21 1wfo n GLY 29 Ca 0.08 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.33 4.58 -0.42 1.61 0.04 -1.26 -4.28 135.00 131.93 1wfo s PRO 30 Ca 0.09 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.57 1wfo s PRO 30 Cb -0.01 -3.08 0.01 0.00 0.04 0.00 0.00 34.50 31.46 1wfo s PRO 30 CO 0.07 0.18 1.42 -1.25 0.04 0.00 0.00 177.00 177.46 1wfo s PRO 31 N -1.61 3.55 0.43 0.56 0.04 -1.26 -4.67 135.00 132.03 1wfo s PRO 31 Ca 0.46 0.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.39 1wfo s PRO 31 Cb -0.30 -4.04 -0.03 0.00 0.04 0.00 0.00 34.50 30.18 1wfo s PRO 31 CO 0.38 -1.60 0.68 0.00 0.04 0.00 0.00 177.00 176.50 1wfo s MET 32 N 4.99 3.48 0.00 4.56 0.23 -1.25 -4.53 119.30 126.78 1wfo s MET 32 Ca 0.61 -0.07 0.00 0.00 -1.03 0.00 0.00 55.69 55.21 1wfo s MET 32 Cb -0.13 -2.50 0.00 0.00 -1.53 0.00 0.00 34.83 30.66 1wfo s MET 32 CO 0.32 -0.07 0.00 0.41 -2.03 0.00 0.00 175.02 173.65 1wfo n GLY 33 N -2.06 0.73 3.46 3.16 0.00 -1.26 -2.08 105.19 107.13 1wfo n GLY 33 Ca -0.02 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.37 4.44 0.10 -0.61 -1.09 -1.26 -3.80 121.20 116.62 1wfo s ILE 34 Ca 0.00 -0.32 0.07 0.00 -2.23 0.00 0.00 60.65 58.18 1wfo s ILE 34 Cb 0.00 -4.60 -0.03 0.00 -1.58 0.00 0.00 42.46 36.25 1wfo s ILE 34 CO 0.00 -1.29 -0.18 -0.76 -1.23 0.00 0.00 174.94 171.48 1wfo s LEU 35 N 3.75 2.32 -0.61 2.97 2.01 -0.74 -4.99 118.68 123.40 1wfo s LEU 35 Ca 0.22 -0.70 -0.00 0.00 0.01 0.00 0.00 54.13 53.65 1wfo s LEU 35 Cb -0.17 -0.76 0.15 0.00 0.01 0.00 0.00 46.19 45.42 1wfo s LEU 35 CO 0.12 -0.00 0.40 -0.36 1.01 0.00 0.00 176.35 177.51 1wfo s PHE 36 N -1.38 3.35 0.07 0.29 0.40 -1.26 -0.87 117.98 118.58 1wfo s PHE 36 Ca 0.06 -2.91 -0.15 0.00 -0.60 0.00 0.00 56.93 53.33 1wfo s PHE 36 Cb -0.09 -3.06 -0.21 0.00 0.51 0.00 0.00 43.02 40.18 1wfo s PHE 36 CO 0.04 -0.79 1.21 -1.00 0.70 0.00 0.00 175.22 175.38 1wfo h PRO 37 N 6.73 0.68 -4.43 0.24 0.13 -1.94 -3.42 132.00 129.99 1wfo h PRO 37 Ca -0.02 -0.67 -0.63 0.00 -0.87 0.00 0.00 66.00 63.81 1wfo h PRO 37 Cb 0.92 0.17 -0.38 0.00 0.13 0.00 0.00 31.00 31.84 1wfo h PRO 37 CO 0.71 1.26 -0.78 -2.00 -0.23 0.00 0.00 178.00 176.97 1wfo s GLU 38 N -3.46 1.64 -0.11 0.86 2.12 -1.10 -5.07 118.70 113.60 1wfo s GLU 38 Ca -0.11 -1.19 -0.03 0.00 0.36 0.00 0.00 54.97 54.00 1wfo s GLU 38 Cb 0.07 -2.69 0.05 0.00 0.26 0.00 0.00 34.13 31.82 1wfo s GLU 38 CO 0.90 -0.67 0.08 0.54 -0.54 0.00 0.00 175.26 175.57 1wfo s VAL 39 N 1.29 -0.12 0.00 3.70 0.11 -1.26 0.26 120.40 124.38 1wfo s VAL 39 Ca -0.03 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1wfo s VAL 39 Cb -0.19 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 1wfo s VAL 39 CO -0.08 -0.04 0.00 0.54 -3.33 0.00 0.00 175.10 172.19 1wfo n ARG 40 N 5.29 2.79 0.00 1.54 1.74 0.50 -4.48 116.66 124.05 1wfo n ARG 40 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 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 -0.17 0.00 0.08 0.55 -2.24 -1.26 -1.93 114.28 109.31 1wfo n THR 41 Ca 0.00 0.28 -0.06 0.00 -2.27 0.00 0.00 64.05 62.00 1wfo n THR 41 Cb 0.00 -0.61 0.11 0.00 -2.10 0.00 0.00 70.33 67.73 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 -0.32 1.69 -3.44 4.28 -2.24 -1.25 -4.35 114.28 108.65 1wfo n THR 42 Ca 0.00 -0.75 0.01 0.00 -2.27 0.00 0.00 64.05 61.04 1wfo n THR 42 Cb 0.00 -0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 67.55 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 -0.12 -0.80 0.29 3.42 0.01 -1.26 -1.49 113.70 113.75 1wfo s SER 43 Ca 0.24 1.00 0.04 0.00 1.31 0.00 0.00 55.95 58.55 1wfo s SER 43 Cb 0.20 1.87 -0.06 0.00 0.21 0.00 0.00 66.02 68.25 1wfo s SER 43 CO 0.06 -0.15 0.02 0.68 0.41 0.00 0.00 173.24 174.25 1wfo s VAL 44 N 2.65 1.22 -0.26 3.43 -7.23 0.18 0.19 120.40 120.58 1wfo s VAL 44 Ca -0.02 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 58.07 1wfo s VAL 44 Cb -0.09 -2.59 0.13 0.00 0.56 0.00 0.00 36.38 34.40 1wfo s VAL 44 CO -0.18 -0.16 0.51 -0.60 -0.31 0.00 0.00 175.10 174.36 1wfo s ARG 45 N -3.85 0.45 0.41 4.82 3.52 0.72 0.71 118.95 125.73 1wfo s ARG 45 Ca 0.33 1.01 0.07 0.00 -0.13 0.00 0.00 55.73 57.01 1wfo s ARG 45 Cb 0.07 0.32 -0.05 0.00 -1.56 0.00 0.00 34.95 33.73 1wfo s ARG 45 CO 0.13 -0.42 0.19 -0.48 -0.81 0.00 0.00 175.30 173.91 1wfo s LEU 46 N 2.72 3.14 -0.00 -0.88 2.34 -1.14 -2.69 118.68 122.17 1wfo s LEU 46 Ca 0.06 -1.05 0.01 0.00 0.06 0.00 0.00 54.13 53.21 1wfo s LEU 46 Cb -0.14 -1.49 -0.00 0.00 -0.56 0.00 0.00 46.19 44.01 1wfo s LEU 46 CO -0.17 -0.55 -0.03 0.27 -1.06 0.00 0.00 176.35 174.81 1wfo s ILE 47 N -2.59 0.24 0.39 1.48 -0.00 -0.05 -2.13 121.20 118.54 1wfo s ILE 47 Ca 0.42 -0.13 0.03 0.00 -0.00 0.00 0.00 60.65 60.97 1wfo s ILE 47 Cb 0.03 -0.21 -0.01 0.00 -0.00 0.00 0.00 42.46 42.27 1wfo s ILE 47 CO 0.23 0.07 0.12 -2.67 -0.00 0.00 0.00 174.94 172.69 1wfo n TRP 48 N 3.03 0.24 -4.21 1.37 2.14 0.30 -1.78 117.44 118.54 1wfo n TRP 48 Ca -0.13 -2.39 -0.12 0.00 2.07 0.00 0.00 57.50 56.93 1wfo n TRP 48 Cb 0.59 -0.04 -0.10 0.00 -0.81 0.00 0.00 31.31 30.94 1wfo n TRP 48 CO 0.00 0.00 0.00 -0.65 2.07 0.00 0.00 177.69 179.11 1wfo s GLN 49 N -3.46 0.99 0.53 -2.67 -0.21 -0.89 -4.66 119.66 109.30 1wfo s GLN 49 Ca 0.17 -1.45 -0.18 0.00 0.02 0.00 0.00 55.36 53.92 1wfo s GLN 49 Cb 0.01 -0.22 -0.06 0.00 1.00 0.00 0.00 33.01 33.74 1wfo s GLN 49 CO 0.12 -0.09 1.04 -1.25 -2.12 0.00 0.00 175.29 172.99 1wfo s PRO 50 N -3.89 3.60 -0.20 2.91 0.04 -1.26 -3.81 135.00 132.39 1wfo s PRO 50 Ca 0.19 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 62.20 1wfo s PRO 50 Cb 0.06 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1wfo s PRO 50 CO 0.00 -0.59 1.30 -1.25 0.04 0.00 0.00 177.00 176.50 1wfo s PRO 51 N -3.66 4.12 0.53 0.56 0.04 -1.26 -4.74 135.00 130.59 1wfo s PRO 51 Ca 0.65 1.55 0.43 0.00 0.04 0.00 0.00 61.00 63.68 1wfo s PRO 51 Cb -0.16 -3.81 1.64 0.00 0.04 0.00 0.00 34.50 32.21 1wfo s PRO 51 CO 0.28 -0.86 1.62 0.00 0.04 0.00 0.00 177.00 178.08 1wfo h ALA 52 N 8.66 3.48 -3.17 8.56 0.00 -1.94 -2.24 119.26 132.61 1wfo h ALA 52 Ca -0.27 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 53.96 1wfo h ALA 52 Cb 1.10 0.16 -0.39 0.00 0.00 0.00 0.00 17.79 18.66 1wfo h ALA 52 CO 0.99 -2.03 -0.46 0.00 0.00 0.00 0.00 179.25 177.75 1wfo s ALA 53 N -4.99 3.67 0.12 0.00 0.00 -1.26 -4.90 121.76 114.40 1wfo s ALA 53 Ca -0.06 -3.52 -0.08 0.00 0.00 0.00 0.00 51.96 48.30 1wfo s ALA 53 Cb 0.27 -2.40 -0.12 0.00 0.00 0.00 0.00 23.12 20.87 1wfo s ALA 53 CO 0.86 -2.09 1.30 -1.00 0.00 0.00 0.00 175.76 174.83 1wfo h PRO 54 N 6.26 0.57 -6.81 0.00 0.13 -1.79 -3.26 132.00 127.10 1wfo h PRO 54 Ca 0.03 -0.56 -0.56 0.00 -0.87 0.00 0.00 66.00 64.05 1wfo h PRO 54 Cb 0.86 0.14 -0.21 0.00 0.13 0.00 0.00 31.00 31.92 1wfo h PRO 54 CO 0.73 1.18 -0.87 0.09 -0.23 0.00 0.00 178.00 178.90 1wfo n ASN 55 N -3.83 -2.08 0.00 1.44 3.02 -1.26 -3.31 115.26 109.24 1wfo n ASN 55 Ca -0.08 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 1wfo n ASN 55 Cb 0.81 -2.50 0.00 0.00 -0.61 0.00 0.00 39.78 37.47 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 -1.58 3.35 3.66 7.41 0.00 -1.26 -3.18 105.19 113.59 1wfo n GLY 56 Ca -0.03 -0.13 -0.47 0.00 0.00 0.00 0.00 46.02 45.38 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 0.13 -2.41 -0.61 -0.00 -1.26 -4.85 119.36 110.36 1wfo n ILE 57 Ca 0.00 -0.02 -0.41 0.00 -0.00 0.00 0.00 62.75 62.31 1wfo n ILE 57 Cb 0.00 -1.51 -0.03 0.00 -0.00 0.00 0.00 39.64 38.09 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 1.60 3.74 -0.13 1.39 -1.09 -1.26 -4.43 121.20 121.02 1wfo s ILE 58 Ca 0.83 1.40 0.17 0.00 -2.23 0.00 0.00 60.65 60.81 1wfo s ILE 58 Cb -0.72 -3.89 -0.24 0.00 -1.58 0.00 0.00 42.46 36.02 1wfo s ILE 58 CO 0.43 0.19 0.16 0.18 -1.23 0.00 0.00 174.94 174.67 1wfo n LEU 59 N 2.93 0.00 0.00 2.97 4.32 0.52 -4.71 117.00 123.02 1wfo n LEU 59 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1wfo n LEU 59 Cb 0.45 0.31 0.00 0.00 -1.62 0.00 0.00 43.42 42.56 1wfo n LEU 59 CO 0.55 0.31 0.00 0.00 -1.22 0.00 0.00 177.39 177.03 1wfo n ALA 60 N -2.51 0.00 -2.44 -1.18 0.00 -1.05 -3.58 120.51 109.76 1wfo n ALA 60 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 1wfo n ALA 60 Cb 0.90 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.27 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 1.14 -0.02 0.00 1.51 0.19 0.11 117.35 117.28 1wfo s TYR 61 Ca 0.00 -1.32 0.01 0.00 -1.01 0.00 0.00 57.07 54.74 1wfo s TYR 61 Cb 0.00 -0.43 0.02 0.00 -0.11 0.00 0.00 41.96 41.44 1wfo s TYR 61 CO 0.00 -0.79 -0.01 -1.14 -1.11 0.00 0.00 175.55 172.50 1wfo s GLN 62 N -3.90 0.29 -0.26 -0.62 0.74 0.38 0.19 119.66 116.48 1wfo s GLN 62 Ca 0.36 0.02 0.01 0.00 0.05 0.00 0.00 55.36 55.80 1wfo s GLN 62 Cb 0.04 -0.41 0.07 0.00 1.10 0.00 0.00 33.01 33.81 1wfo s GLN 62 CO 0.15 -0.07 -0.03 0.42 -0.55 0.00 0.00 175.29 175.21 1wfo s ILE 63 N 0.68 1.64 -0.22 -2.34 1.01 0.76 -0.52 121.20 122.20 1wfo s ILE 63 Ca -0.07 -1.45 -0.12 0.00 0.00 0.00 0.00 60.65 59.01 1wfo s ILE 63 Cb -0.10 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 1wfo s ILE 63 CO -0.01 -0.23 0.22 0.42 0.00 0.00 0.00 174.94 175.34 1wfo s THR 64 N 1.31 5.32 -0.08 2.92 -4.23 -0.42 -1.20 115.64 119.26 1wfo s THR 64 Ca -0.02 0.33 0.04 0.00 -1.18 0.00 0.00 61.69 60.87 1wfo s THR 64 Cb -0.19 -3.56 -0.01 0.00 1.34 0.00 0.00 72.50 70.08 1wfo s THR 64 CO -0.08 0.34 -0.21 -1.38 -0.54 0.00 0.00 174.62 172.74 1wfo s HIS 65 N 1.00 2.56 0.04 3.99 -3.43 -1.24 -1.23 115.29 116.98 1wfo s HIS 65 Ca 0.11 -0.68 -0.27 0.00 -0.80 0.00 0.00 55.06 53.42 1wfo s HIS 65 Cb -0.13 -1.66 0.08 0.00 -1.43 0.00 0.00 32.58 29.43 1wfo s HIS 65 CO 0.05 -0.19 0.70 -0.98 -2.00 0.00 0.00 174.74 172.32 1wfo s ARG 66 N -0.08 1.08 -0.23 -0.38 1.70 -1.18 -3.47 118.95 116.39 1wfo s ARG 66 Ca -0.05 -0.18 -0.28 0.00 -0.47 0.00 0.00 55.73 54.76 1wfo s ARG 66 Cb -0.14 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 34.75 1wfo s ARG 66 CO 0.04 -0.43 0.97 -0.51 -1.08 0.00 0.00 175.30 174.30 1wfo s LEU 67 N -2.11 4.10 0.46 -1.89 1.43 -1.26 -0.25 118.68 119.16 1wfo s LEU 67 Ca -0.02 1.27 0.28 0.00 -1.03 0.00 0.00 54.13 54.63 1wfo s LEU 67 Cb -0.01 -3.43 1.52 0.00 0.03 0.00 0.00 46.19 44.30 1wfo s LEU 67 CO -0.04 -0.62 1.84 -1.13 0.23 0.00 0.00 176.35 176.63 1wfo h ASN 68 N 7.52 0.00 -0.07 2.29 -1.24 -1.49 -3.43 115.58 119.15 1wfo h ASN 68 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.81 1wfo h ASN 68 Cb 1.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.12 1wfo h ASN 68 CO 0.95 0.00 0.00 0.35 -1.29 0.00 0.00 177.43 177.44 1wfo n THR 69 N -2.54 0.00 -0.90 -3.57 -2.24 -1.26 -5.10 114.28 98.67 1wfo n THR 69 Ca -0.02 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.87 1wfo n THR 69 Cb 0.13 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 1wfo n THR 69 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1wfo n THR 70 N 0.00 0.00 -2.08 4.28 5.66 -1.26 -4.76 114.28 116.12 1wfo n THR 70 Ca 0.00 0.12 -0.32 0.00 -3.05 0.00 0.00 64.05 60.79 1wfo n THR 70 Cb 0.00 -0.39 0.00 0.00 -1.55 0.00 0.00 70.33 68.39 1wfo n THR 70 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1wfo s THR 71 N -2.30 4.09 0.00 1.09 2.01 -1.26 -4.99 115.64 114.27 1wfo s THR 71 Ca 0.00 0.94 0.00 0.00 0.31 0.00 0.00 61.69 62.94 1wfo s THR 71 Cb 0.00 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 69.00 1wfo s THR 71 CO 0.00 -0.63 0.00 0.00 -0.69 0.00 0.00 174.62 173.30 1wfo n ALA 72 N -2.07 0.00 0.20 7.40 0.00 -1.26 -4.95 120.51 119.83 1wfo n ALA 72 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 1wfo n ALA 72 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 -0.96 -1.34 0.00 -0.00 -2.01 -3.47 115.58 107.79 1wfo h ASN 73 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 56.30 56.38 1wfo h ASN 73 Cb 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 38.32 38.64 1wfo h ASN 73 CO 0.00 -0.46 0.00 0.35 -0.00 0.00 0.00 177.43 177.32 1wfo n THR 74 N -4.49 0.00 -4.05 -3.57 -2.24 -1.26 -5.15 114.28 93.52 1wfo n THR 74 Ca -0.08 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.36 1wfo n THR 74 Cb 0.32 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.39 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 -1.74 2.50 -0.71 6.98 0.00 -1.26 -4.94 121.76 122.59 1wfo s ALA 75 Ca 0.00 -1.37 -0.27 0.00 0.00 0.00 0.00 51.96 50.32 1wfo s ALA 75 Cb 0.00 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.72 1wfo s ALA 75 CO 0.00 -0.61 1.43 0.99 0.00 0.00 0.00 175.76 177.57 1wfo s THR 76 N 1.28 3.63 0.28 0.00 2.01 -1.23 -4.83 115.64 116.78 1wfo s THR 76 Ca 0.02 0.35 -0.09 0.00 0.31 0.00 0.00 61.69 62.27 1wfo s THR 76 Cb -0.15 -4.67 -0.07 0.00 0.01 0.00 0.00 72.50 67.63 1wfo s THR 76 CO -0.09 -1.61 0.60 0.68 -0.69 0.00 0.00 174.62 173.51 1wfo s VAL 77 N 6.61 4.91 -0.03 3.82 -7.23 -1.26 -3.73 120.40 123.49 1wfo s VAL 77 Ca 0.43 0.42 0.03 0.00 -1.81 0.00 0.00 61.98 61.06 1wfo s VAL 77 Cb -0.09 -3.67 -0.00 0.00 0.56 0.00 0.00 36.38 33.18 1wfo s VAL 77 CO 0.16 -0.22 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.90 1wfo s GLU 78 N -3.20 1.31 -0.13 4.82 2.12 -0.34 -4.95 118.70 118.33 1wfo s GLU 78 Ca 0.48 -0.46 -0.21 0.00 0.36 0.00 0.00 54.97 55.14 1wfo s GLU 78 Cb -0.11 -1.19 -0.03 0.00 0.26 0.00 0.00 34.13 33.06 1wfo s GLU 78 CO 0.25 0.19 0.63 0.08 -0.54 0.00 0.00 175.26 175.87 1wfo s VAL 79 N 0.05 5.07 0.45 3.70 1.01 -1.26 -0.17 120.40 129.25 1wfo s VAL 79 Ca -0.02 1.24 0.07 0.00 0.00 0.00 0.00 61.98 63.27 1wfo s VAL 79 Cb -0.09 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1wfo s VAL 79 CO 0.01 0.21 0.38 -0.76 0.00 0.00 0.00 175.10 174.94 1wfo s LEU 80 N 1.21 3.19 0.78 3.92 1.43 0.50 -4.90 118.68 124.82 1wfo s LEU 80 Ca 0.32 -0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 1wfo s LEU 80 Cb -0.16 -1.76 0.06 0.00 0.03 0.00 0.00 46.19 44.36 1wfo s LEU 80 CO 0.13 -0.77 1.15 0.00 0.23 0.00 0.00 176.35 177.09 1wfo s ALA 81 N -2.56 2.68 -1.50 4.21 0.00 -1.26 0.57 121.76 123.90 1wfo s ALA 81 Ca 0.45 -0.54 0.23 0.00 0.00 0.00 0.00 51.96 52.10 1wfo s ALA 81 Cb -0.02 -2.99 1.18 0.00 0.00 0.00 0.00 23.12 21.29 1wfo s ALA 81 CO 0.26 -1.54 1.75 -0.35 0.00 0.00 0.00 175.76 175.88 1wfo n PRO 82 N -3.24 0.37 -1.29 0.00 -0.04 -1.23 -2.66 135.00 126.90 1wfo n PRO 82 Ca 0.08 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.47 1wfo n PRO 82 Cb 0.60 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.68 1wfo n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfo n SER 83 N -1.25 3.72 -4.70 3.54 2.88 -1.26 -4.88 113.62 111.67 1wfo n SER 83 Ca 0.12 -3.81 -0.35 0.00 -1.33 0.00 0.00 58.87 53.50 1wfo n SER 83 Cb 0.17 -0.52 -0.09 0.00 -0.75 0.00 0.00 64.21 63.02 1wfo n SER 83 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wfo s ALA 84 N -3.44 3.59 -0.04 -1.46 0.00 -1.09 -4.95 121.76 114.37 1wfo s ALA 84 Ca 0.47 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.80 1wfo s ALA 84 Cb 0.41 -2.07 -0.11 0.00 0.00 0.00 0.00 23.12 21.35 1wfo s ALA 84 CO -0.00 0.19 0.10 -2.13 0.00 0.00 0.00 175.76 173.91 1wfo n ARG 85 N 3.47 1.48 -3.90 0.00 3.00 -1.26 -4.93 116.66 114.52 1wfo n ARG 85 Ca -0.16 -0.04 -0.09 0.00 -0.00 0.00 0.00 57.85 57.56 1wfo n ARG 85 Cb 0.52 -1.19 -0.08 0.00 0.00 0.00 0.00 32.46 31.71 1wfo n ARG 85 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1wfo s GLN 86 N -2.37 0.77 -0.06 -0.14 -2.07 -1.26 0.11 119.66 114.65 1wfo s GLN 86 Ca -0.03 -0.96 -0.04 0.00 -1.82 0.00 0.00 55.36 52.50 1wfo s GLN 86 Cb 0.04 0.31 0.02 0.00 -1.09 0.00 0.00 33.01 32.29 1wfo s GLN 86 CO 0.32 -0.23 0.14 -0.47 -1.32 0.00 0.00 175.29 173.73 1wfo s TYR 87 N -3.69 -0.15 -0.21 9.60 6.14 -0.91 -5.01 117.35 123.13 1wfo s TYR 87 Ca 0.04 0.41 -0.17 0.00 0.64 0.00 0.00 57.07 57.99 1wfo s TYR 87 Cb 0.05 -0.01 -0.04 0.00 0.42 0.00 0.00 41.96 42.38 1wfo s TYR 87 CO -0.10 -0.11 0.44 0.99 0.64 0.00 0.00 175.55 177.42 1wfo s THR 88 N 0.54 5.16 -0.32 4.34 2.01 -1.26 -2.86 115.64 123.24 1wfo s THR 88 Ca -0.04 0.79 -0.10 0.00 0.31 0.00 0.00 61.69 62.65 1wfo s THR 88 Cb -0.05 -3.77 -0.00 0.00 0.01 0.00 0.00 72.50 68.68 1wfo s THR 88 CO -0.02 0.21 0.17 0.00 -0.69 0.00 0.00 174.62 174.28 1wfo s ALA 89 N 1.53 3.30 0.23 7.40 0.00 0.22 -4.96 121.76 129.47 1wfo s ALA 89 Ca 0.21 -1.43 0.10 0.00 0.00 0.00 0.00 51.96 50.84 1wfo s ALA 89 Cb -0.15 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 1wfo s ALA 89 CO 0.09 -0.97 -0.14 0.95 0.00 0.00 0.00 175.76 175.69 1wfo s THR 90 N 1.61 2.85 -0.09 0.00 -4.23 -1.26 0.47 115.64 114.99 1wfo s THR 90 Ca 0.04 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.56 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 0.07 -0.24 0.08 0.61 -0.54 0.00 0.00 174.62 174.60 1wfo n GLY 91 N -0.26 0.48 3.47 3.99 0.00 -0.56 -4.96 105.19 107.35 1wfo n GLY 91 Ca -0.09 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.58 2.60 -0.15 0.99 1.43 -1.20 -5.03 118.68 114.73 1wfo s LEU 92 Ca 0.01 -1.04 -0.13 0.00 -1.03 0.00 0.00 54.13 51.93 1wfo s LEU 92 Cb -0.00 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 1wfo s LEU 92 CO 0.06 0.02 0.29 -0.75 0.23 0.00 0.00 176.35 176.19 1wfo s LYS 93 N -3.52 4.21 0.72 1.70 2.20 -1.26 -3.86 119.74 119.93 1wfo s LYS 93 Ca 0.30 0.09 -0.11 0.00 -0.36 0.00 0.00 55.97 55.89 1wfo s LYS 93 Cb -0.04 -3.41 0.02 0.00 -1.51 0.00 0.00 37.83 32.89 1wfo s LYS 93 CO 0.15 0.28 1.07 -1.25 -0.36 0.00 0.00 175.35 175.23 1wfo s PRO 94 N 0.35 2.75 -0.89 4.03 0.04 -1.26 -4.06 135.00 135.96 1wfo s PRO 94 Ca 0.16 0.88 -0.04 0.00 0.04 0.00 0.00 61.00 62.05 1wfo s PRO 94 Cb -0.13 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1wfo s PRO 94 CO 0.04 -1.21 0.77 0.39 0.04 0.00 0.00 177.00 177.02 1wfo n GLU 95 N -3.20 -5.13 -2.54 4.56 -0.58 -0.02 -4.96 120.64 108.78 1wfo n GLU 95 Ca 0.07 0.58 -0.06 0.00 -0.42 0.00 0.00 57.16 57.33 1wfo n GLU 95 Cb 0.54 -4.83 -0.01 0.00 -0.57 0.00 0.00 31.44 26.57 1wfo n GLU 95 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wfo n SER 96 N -1.98 -0.76 -4.09 1.62 7.64 -1.26 -4.99 113.62 109.81 1wfo n SER 96 Ca -0.08 -1.82 -0.25 0.00 1.01 0.00 0.00 58.87 57.73 1wfo n SER 96 Cb 0.57 1.36 -0.16 0.00 -1.01 0.00 0.00 64.21 64.97 1wfo n SER 96 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1wfo s VAL 97 N -2.60 1.25 -0.08 0.44 1.01 -1.26 -1.70 120.40 117.45 1wfo s VAL 97 Ca 0.11 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1wfo s VAL 97 Cb -0.01 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1wfo s VAL 97 CO 0.08 0.37 -0.21 -0.31 0.00 0.00 0.00 175.10 175.02 1wfo s TYR 98 N 0.17 2.27 -0.28 5.22 1.51 0.35 -1.16 117.35 125.42 1wfo s TYR 98 Ca -0.05 -0.86 -0.16 0.00 -1.01 0.00 0.00 57.07 54.98 1wfo s TYR 98 Cb -0.12 -1.53 -0.03 0.00 -0.11 0.00 0.00 41.96 40.17 1wfo s TYR 98 CO 0.02 -0.34 0.42 -1.17 -1.11 0.00 0.00 175.55 173.37 1wfo s LEU 99 N 0.30 4.11 -0.37 -1.29 1.98 0.66 0.59 118.68 124.66 1wfo s LEU 99 Ca -0.15 0.27 -0.12 0.00 -2.89 0.00 0.00 54.13 51.24 1wfo s LEU 99 Cb -0.16 -2.50 0.01 0.00 0.66 0.00 0.00 46.19 44.20 1wfo s LEU 99 CO 0.07 -0.26 0.24 -0.36 -1.89 0.00 0.00 176.35 174.14 1wfo s PHE 100 N 2.17 3.23 -0.38 5.38 0.40 0.50 -3.12 117.98 126.15 1wfo s PHE 100 Ca 0.17 -0.62 -0.12 0.00 -0.60 0.00 0.00 56.93 55.76 1wfo s PHE 100 Cb -0.16 -2.48 0.02 0.00 0.51 0.00 0.00 43.02 40.91 1wfo s PHE 100 CO 0.10 -0.54 0.23 0.50 0.70 0.00 0.00 175.22 176.21 1wfo s ARG 101 N 1.64 2.89 -0.11 0.44 3.52 -0.36 0.05 118.95 127.02 1wfo s ARG 101 Ca 0.04 -1.04 -0.11 0.00 -0.13 0.00 0.00 55.73 54.49 1wfo s ARG 101 Cb -0.18 -3.79 -0.05 0.00 -1.56 0.00 0.00 34.95 29.37 1wfo s ARG 101 CO 0.08 -0.70 0.23 0.42 -0.81 0.00 0.00 175.30 174.53 1wfo s ILE 102 N 1.59 5.34 0.04 4.11 1.01 0.93 -1.31 121.20 132.92 1wfo s ILE 102 Ca 0.03 0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.99 1wfo s ILE 102 Cb -0.19 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.76 1wfo s ILE 102 CO 0.08 0.53 0.25 -0.89 0.00 0.00 0.00 174.94 174.90 1wfo s THR 103 N -0.51 0.09 0.27 2.92 2.01 0.32 0.48 115.64 121.22 1wfo s THR 103 Ca 0.16 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 61.47 1wfo s THR 103 Cb -0.13 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1wfo s THR 103 CO 0.05 -0.42 0.21 0.00 -0.69 0.00 0.00 174.62 173.77 1wfo s ALA 104 N -2.43 3.62 -0.14 7.40 0.00 -1.26 0.14 121.76 129.09 1wfo s ALA 104 Ca -0.06 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.43 1wfo s ALA 104 Cb -0.01 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.87 1wfo s ALA 104 CO -0.03 0.20 -0.15 -1.14 0.00 0.00 0.00 175.76 174.65 1wfo s GLN 105 N -3.87 2.29 0.00 0.00 0.74 0.31 -3.69 119.66 115.43 1wfo s GLN 105 Ca 0.34 -0.56 0.00 0.00 0.05 0.00 0.00 55.36 55.19 1wfo s GLN 105 Cb -0.07 -2.05 0.00 0.00 1.10 0.00 0.00 33.01 31.98 1wfo s GLN 105 CO 0.25 -0.19 0.00 0.25 -0.55 0.00 0.00 175.29 175.05 1wfo n THR 106 N 4.61 0.00 1.59 -0.34 -2.24 -0.80 0.19 114.28 117.30 1wfo n THR 106 Ca -0.17 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.73 1wfo n THR 106 Cb 0.50 0.00 0.76 0.00 -2.10 0.00 0.00 70.33 69.49 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 0.80 -0.14 -0.78 1.85 -1.26 -3.12 116.66 114.01 1wfo n ARG 107 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.57 1wfo n ARG 107 Cb 0.00 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.81 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 -1.00 0.60 0.00 2.89 4.01 -1.26 -5.12 118.16 118.29 1wfo n LYS 108 Ca 0.19 0.24 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 1wfo n LYS 108 Cb 0.09 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 1wfo n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1wfo n GLY 109 N 1.45 -0.59 2.82 0.72 0.00 -1.18 -5.03 105.19 103.37 1wfo n GLY 109 Ca -0.53 0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 1.69 0.00 1.61 0.52 -1.26 -1.90 118.94 119.60 1wfo s TRP 110 Ca 0.00 -1.37 0.00 0.00 0.02 0.00 0.00 56.10 54.75 1wfo s TRP 110 Cb 0.00 -1.38 0.00 0.00 -1.15 0.00 0.00 33.47 30.94 1wfo s TRP 110 CO 0.00 -0.72 0.00 0.41 0.02 0.00 0.00 176.95 176.66 1wfo n GLY 111 N 4.86 -1.68 3.28 0.98 0.00 -1.24 -4.98 105.19 106.40 1wfo n GLY 111 Ca -0.09 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 1wfo n GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wfo n GLU 112 N 0.00 -1.18 -4.00 1.61 4.71 -1.04 -4.78 120.64 115.96 1wfo n GLU 112 Ca 0.00 -0.32 -0.12 0.00 -0.01 0.00 0.00 57.16 56.71 1wfo n GLU 112 Cb 0.00 -1.67 -0.13 0.00 -1.01 0.00 0.00 31.44 28.64 1wfo n GLU 112 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wfo s ALA 113 N -2.25 0.24 -0.29 0.62 0.00 -1.26 -4.37 121.76 114.45 1wfo s ALA 113 Ca 0.54 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 1wfo s ALA 113 Cb -0.12 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1wfo s ALA 113 CO 0.67 -0.03 0.24 0.00 0.00 0.00 0.00 175.76 176.64 1wfo s ALA 114 N -0.74 3.53 -0.27 0.00 0.00 0.18 -4.79 121.76 119.67 1wfo s ALA 114 Ca -0.06 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 50.68 1wfo s ALA 114 Cb -0.05 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.45 1wfo s ALA 114 CO -0.00 -0.67 0.25 -1.21 0.00 0.00 0.00 175.76 174.13 1wfo s GLU 115 N 1.83 3.99 -0.07 0.00 2.02 -1.26 -0.05 118.70 125.16 1wfo s GLU 115 Ca 0.09 -0.18 0.00 0.00 0.02 0.00 0.00 54.97 54.90 1wfo s GLU 115 Cb -0.16 -3.65 0.02 0.00 0.10 0.00 0.00 34.13 30.45 1wfo s GLU 115 CO 0.11 -0.19 -0.05 0.00 0.02 0.00 0.00 175.26 175.15 1wfo s ALA 116 N 1.80 0.92 0.06 5.21 0.00 0.11 -4.92 121.76 124.93 1wfo s ALA 116 Ca 0.10 -0.25 -0.16 0.00 0.00 0.00 0.00 51.96 51.65 1wfo s ALA 116 Cb -0.16 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 22.23 1wfo s ALA 116 CO 0.10 -0.24 0.49 -0.51 0.00 0.00 0.00 175.76 175.60 1wfo s LEU 117 N 1.42 4.46 -0.10 0.00 1.43 -1.26 0.19 118.68 124.82 1wfo s LEU 117 Ca -0.02 1.09 -0.04 0.00 -1.03 0.00 0.00 54.13 54.12 1wfo s LEU 117 Cb -0.13 -2.85 0.05 0.00 0.03 0.00 0.00 46.19 43.29 1wfo s LEU 117 CO -0.03 0.26 0.22 0.54 0.23 0.00 0.00 176.35 177.57 1wfo s VAL 118 N -1.18 -0.16 0.38 -1.59 0.11 0.20 -4.94 120.40 113.22 1wfo s VAL 118 Ca 0.29 0.21 -0.22 0.00 -2.93 0.00 0.00 61.98 59.33 1wfo s VAL 118 Cb -0.17 -0.36 -0.10 0.00 -1.53 0.00 0.00 36.38 34.21 1wfo s VAL 118 CO 0.17 0.09 0.92 -0.69 -3.33 0.00 0.00 175.10 172.26 1wfo s VAL 119 N 1.67 4.37 -0.57 2.04 1.01 -1.26 -0.50 120.40 127.16 1wfo s VAL 119 Ca -0.05 1.54 -0.21 0.00 0.00 0.00 0.00 61.98 63.26 1wfo s VAL 119 Cb -0.11 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 32.61 1wfo s VAL 119 CO -0.08 -0.16 0.78 0.42 0.00 0.00 0.00 175.10 176.06 1wfo s THR 120 N -1.98 4.65 -0.05 3.92 -4.23 -0.69 -4.86 115.64 112.40 1wfo s THR 120 Ca 0.57 -0.44 -0.32 0.00 -1.18 0.00 0.00 61.69 60.33 1wfo s THR 120 Cb -0.12 -4.47 0.13 0.00 1.34 0.00 0.00 72.50 69.38 1wfo s THR 120 CO 0.17 -1.08 1.35 0.28 -0.54 0.00 0.00 174.62 174.80 1wfo s THR 121 N 3.20 0.00 -0.12 3.99 -1.32 -0.81 -0.84 115.64 119.74 1wfo s THR 121 Ca 0.19 -0.13 0.22 0.00 -1.21 0.00 0.00 61.69 60.75 1wfo s THR 121 Cb -0.19 -1.97 -0.19 0.00 -1.51 0.00 0.00 72.50 68.64 1wfo s THR 121 CO 0.11 0.00 0.71 -0.62 -2.21 0.00 0.00 174.62 172.61 1wfo n GLU 122 N -0.48 0.64 -2.81 7.08 1.02 -1.26 -4.04 120.64 120.78 1wfo n GLU 122 Ca -0.09 -0.05 -0.40 0.00 -0.02 0.00 0.00 57.16 56.60 1wfo n GLU 122 Cb 0.63 -1.65 -0.05 0.00 -0.02 0.00 0.00 31.44 30.34 1wfo n GLU 122 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1wfo s LYS 123 N -3.41 4.73 -0.22 3.49 1.02 -1.26 -5.05 119.74 119.04 1wfo s LYS 123 Ca -0.05 1.38 -0.11 0.00 0.02 0.00 0.00 55.97 57.21 1wfo s LYS 123 Cb 0.12 -3.31 0.08 0.00 -0.52 0.00 0.00 37.83 34.19 1wfo s LYS 123 CO 0.86 0.42 0.53 1.03 -0.92 0.00 0.00 175.35 177.26 1wfo s ARG 124 N -0.74 0.50 0.27 1.68 1.81 -1.26 -5.08 118.95 116.13 1wfo s ARG 124 Ca 0.41 1.03 0.00 0.00 -1.72 0.00 0.00 55.73 55.46 1wfo s ARG 124 Cb -0.24 0.16 0.00 0.00 -0.45 0.00 0.00 34.95 34.42 1wfo s ARG 124 CO 0.29 -0.17 0.00 0.43 -0.68 0.00 0.00 175.30 175.17 1wfo n SER 125 N 4.55 -8.61 0.00 0.23 7.64 -1.26 -5.10 113.62 111.08 1wfo n SER 125 Ca -0.19 1.25 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1wfo n SER 125 Cb 0.55 -4.63 0.00 0.00 -1.01 0.00 0.00 64.21 59.12 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 1.08 5.42 3.56 0.23 0.00 -1.26 -5.06 105.19 109.16 1wfo n GLY 126 Ca 0.00 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 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 2.86 3.05 0.02 1.61 0.04 -1.26 -4.95 135.00 136.37 1wfo s PRO 127 Ca 0.00 -0.52 0.09 0.00 0.04 0.00 0.00 61.00 60.60 1wfo s PRO 127 Cb 0.00 -5.02 -0.02 0.00 0.04 0.00 0.00 34.50 29.50 1wfo s PRO 127 CO 0.00 -2.71 -0.25 -1.12 0.04 0.00 0.00 177.00 172.96 1wfo s SER 128 N 6.35 3.00 -0.34 6.66 0.01 -1.26 -5.09 113.70 123.03 1wfo s SER 128 Ca 0.56 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 57.30 1wfo s SER 128 Cb -0.05 -0.29 0.19 0.00 0.21 0.00 0.00 66.02 66.08 1wfo s SER 128 CO -0.01 0.26 0.75 -0.44 0.41 0.00 0.00 173.24 174.22 1wfo s SER 129 N -1.00 -1.20 0.00 2.44 0.01 -1.26 -5.28 113.70 107.41 1wfo s SER 129 Ca 0.11 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1wfo s SER 129 Cb -0.10 1.62 0.00 0.00 0.21 0.00 0.00 66.02 67.75 1wfo s SER 129 CO 0.01 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.10