#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 -0.25 0.19 1.61 0.15 -1.26 -5.17 113.70 108.97 1wfo s SER 2 Ca 0.00 -0.06 0.11 0.00 0.70 0.00 0.00 55.95 56.71 1wfo s SER 2 Cb 0.00 0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 64.95 1wfo s SER 2 CO 0.00 -0.04 -0.24 -0.44 1.20 0.00 0.00 173.24 173.72 1wfo s SER 3 N 2.40 3.44 0.00 5.45 0.01 -1.26 -5.06 113.70 118.69 1wfo s SER 3 Ca 0.21 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1wfo s SER 3 Cb 0.02 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1wfo s SER 3 CO -0.19 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.20 1wfo n GLY 4 N 0.27 2.52 3.64 3.44 0.00 -1.26 -5.18 105.19 108.62 1wfo n GLY 4 Ca -0.13 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.36 1wfo n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfo s SER 5 N 0.00 -0.54 0.00 1.61 1.04 -1.26 -5.13 113.70 109.42 1wfo s SER 5 Ca 0.00 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.38 1wfo s SER 5 Cb 0.00 1.09 0.00 0.00 0.10 0.00 0.00 66.02 67.21 1wfo s SER 5 CO 0.00 -0.16 0.00 -0.24 0.98 0.00 0.00 173.24 173.82 1wfo n SER 6 N 3.04 0.00 -0.80 7.02 2.88 -1.26 -5.18 113.62 119.32 1wfo n SER 6 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1wfo n SER 6 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1wfo n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfo n GLY 7 N 0.00 2.12 3.67 0.46 0.00 -1.26 -5.17 105.19 105.01 1wfo n GLY 7 Ca 0.00 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.40 2.87 0.12 1.61 3.00 -1.26 -5.10 118.95 118.79 1wfo s ARG 8 Ca 0.00 -0.50 -0.22 0.00 0.00 0.00 0.00 55.73 55.01 1wfo s ARG 8 Cb 0.00 -2.71 -0.07 0.00 0.00 0.00 0.00 34.95 32.16 1wfo s ARG 8 CO 0.00 0.67 0.66 0.42 0.00 0.00 0.00 175.30 177.05 1wfo s ILE 9 N -0.94 4.58 0.49 1.52 1.01 -1.26 -5.08 121.20 121.51 1wfo s ILE 9 Ca 0.15 1.41 0.08 0.00 0.00 0.00 0.00 60.65 62.30 1wfo s ILE 9 Cb -0.11 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.39 1wfo s ILE 9 CO 0.05 0.52 0.54 -0.83 0.00 0.00 0.00 174.94 175.21 1wfo s GLY 10 N -1.17 2.04 0.01 6.18 0.00 -1.26 -5.14 107.32 107.97 1wfo s GLY 10 Ca 0.33 -1.79 -0.05 0.00 0.00 0.00 0.00 44.72 43.21 1wfo s GLY 10 CO 0.22 -1.70 0.08 0.99 0.00 0.00 0.00 173.10 172.69 1wfo s ASP 11 N -4.35 0.10 0.00 1.64 1.01 -1.26 -5.03 116.67 108.78 1wfo s ASP 11 Ca 0.50 -0.32 0.00 0.00 0.71 0.00 0.00 52.55 53.44 1wfo s ASP 11 Cb -0.05 0.17 0.00 0.00 1.01 0.00 0.00 42.92 44.05 1wfo s ASP 11 CO 0.31 -0.36 0.00 0.61 0.21 0.00 0.00 175.17 175.94 1wfo n GLY 12 N 1.44 0.80 3.03 0.21 0.00 -1.26 -5.02 105.19 104.39 1wfo n GLY 12 Ca -0.23 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 1wfo n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfo s SER 13 N -1.00 4.80 -0.84 1.61 0.01 -1.26 -5.04 113.70 111.98 1wfo s SER 13 Ca 0.00 -2.47 -0.25 0.00 1.31 0.00 0.00 55.95 54.53 1wfo s SER 13 Cb 0.00 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.53 1wfo s SER 13 CO 0.00 -0.37 1.64 -2.16 0.41 0.00 0.00 173.24 172.76 1wfo s PRO 14 N 0.47 3.01 0.02 12.44 0.04 -1.26 -4.94 135.00 144.78 1wfo s PRO 14 Ca 0.13 -0.33 0.05 0.00 0.04 0.00 0.00 61.00 60.89 1wfo s PRO 14 Cb -0.22 -4.81 -0.02 0.00 0.04 0.00 0.00 34.50 29.49 1wfo s PRO 14 CO -0.04 -2.63 -0.15 -1.54 0.04 0.00 0.00 177.00 172.68 1wfo s SER 15 N 6.22 1.71 0.01 6.66 1.04 -1.26 -5.12 113.70 122.96 1wfo s SER 15 Ca 0.55 -0.38 -0.30 0.00 0.48 0.00 0.00 55.95 56.29 1wfo s SER 15 Cb -0.06 -0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 1wfo s SER 15 CO 0.05 0.10 1.05 -1.38 0.98 0.00 0.00 173.24 174.04 1wfo s HIS 16 N -0.64 3.56 0.63 5.02 -3.43 -1.26 -5.03 115.29 114.15 1wfo s HIS 16 Ca 0.03 1.56 -0.14 0.00 -0.80 0.00 0.00 55.06 55.72 1wfo s HIS 16 Cb -0.07 -3.22 -0.02 0.00 -1.43 0.00 0.00 32.58 27.84 1wfo s HIS 16 CO 0.01 -0.45 1.05 -1.25 -2.00 0.00 0.00 174.74 172.10 1wfo s PRO 17 N 1.16 3.19 0.84 -0.38 0.04 -1.26 -5.05 135.00 133.55 1wfo s PRO 17 Ca 0.54 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 1wfo s PRO 17 Cb -0.23 -2.02 0.10 0.00 0.04 0.00 0.00 34.50 32.38 1wfo s PRO 17 CO 0.27 -0.90 1.11 -1.25 0.04 0.00 0.00 177.00 176.27 1wfo s PRO 18 N -4.52 1.73 0.26 0.56 0.04 -1.26 -5.01 135.00 126.81 1wfo s PRO 18 Ca 0.61 0.51 -0.29 0.00 0.04 0.00 0.00 61.00 61.86 1wfo s PRO 18 Cb -0.15 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1wfo s PRO 18 CO 0.45 -1.84 1.13 0.42 0.04 0.00 0.00 177.00 177.20 1wfo s ILE 19 N -3.20 3.46 -0.30 0.56 1.01 -1.26 -4.95 121.20 116.52 1wfo s ILE 19 Ca 0.62 1.42 -0.18 0.00 0.00 0.00 0.00 60.65 62.51 1wfo s ILE 19 Cb -0.15 -3.90 0.17 0.00 0.01 0.00 0.00 42.46 38.59 1wfo s ILE 19 CO 0.54 0.32 1.24 -0.76 0.00 0.00 0.00 174.94 176.27 1wfo s LEU 20 N -1.23 -0.08 0.12 2.97 1.43 -1.26 -5.12 118.68 115.51 1wfo s LEU 20 Ca 0.46 0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.52 1wfo s LEU 20 Cb -0.32 1.07 0.00 0.00 0.03 0.00 0.00 46.19 46.97 1wfo s LEU 20 CO 0.41 -0.01 0.26 -1.61 0.23 0.00 0.00 176.35 175.63 1wfo s GLU 21 N 2.91 1.00 0.16 1.70 2.02 -1.26 -3.81 118.70 121.42 1wfo s GLU 21 Ca -0.09 -0.99 0.06 0.00 0.02 0.00 0.00 54.97 53.96 1wfo s GLU 21 Cb -0.08 0.38 -0.04 0.00 0.10 0.00 0.00 34.13 34.49 1wfo s GLU 21 CO -0.08 -0.35 -0.12 1.03 0.02 0.00 0.00 175.26 175.76 1wfo s ARG 22 N -3.89 1.13 -0.02 1.61 0.52 -1.26 -5.05 118.95 111.99 1wfo s ARG 22 Ca 0.09 -1.46 0.03 0.00 -0.52 0.00 0.00 55.73 53.87 1wfo s ARG 22 Cb 0.04 -0.79 -0.25 0.00 0.52 0.00 0.00 34.95 34.46 1wfo s ARG 22 CO -0.07 0.12 0.77 1.15 0.02 0.00 0.00 175.30 177.28 1wfo h THR 23 N 2.82 1.03 -3.40 0.02 2.02 -2.02 -3.46 112.91 109.92 1wfo h THR 23 Ca -0.37 -2.77 -0.53 0.00 0.77 0.00 0.00 66.41 63.51 1wfo h THR 23 Cb 1.20 2.62 0.06 0.00 -1.74 0.00 0.00 68.15 70.29 1wfo h THR 23 CO 0.61 0.74 0.77 -0.76 0.37 0.00 0.00 175.52 177.25 1wfo s LEU 24 N -6.66 4.38 0.23 2.58 2.01 -1.26 -4.99 118.68 114.97 1wfo s LEU 24 Ca -0.08 2.71 -0.12 0.00 0.01 0.00 0.00 54.13 56.65 1wfo s LEU 24 Cb 0.08 -3.63 -0.07 0.00 0.01 0.00 0.00 46.19 42.57 1wfo s LEU 24 CO 0.83 -0.73 0.59 -1.81 1.01 0.00 0.00 176.35 176.23 1wfo s ASP 25 N 0.35 6.70 0.00 2.29 1.01 -1.26 -4.91 116.67 120.84 1wfo s ASP 25 Ca 0.59 1.02 0.00 0.00 0.71 0.00 0.00 52.55 54.88 1wfo s ASP 25 Cb -0.43 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1wfo s ASP 25 CO 0.44 -0.06 0.00 -0.90 0.21 0.00 0.00 175.17 174.87 1wfo n ASP 26 N 0.03 0.00 -4.02 0.27 5.68 -1.20 -5.12 116.55 112.18 1wfo n ASP 26 Ca -0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.93 1wfo n ASP 26 Cb 0.52 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.54 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 -0.88 0.00 -1.52 2.12 0.24 -1.26 -4.46 118.33 112.57 1wfo n VAL 27 Ca 0.00 -0.49 -0.30 0.00 -2.04 0.00 0.00 64.34 61.51 1wfo n VAL 27 Cb 0.00 -0.02 0.19 0.00 -1.47 0.00 0.00 33.84 32.54 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 -2.00 0.15 0.00 7.34 0.04 -1.20 -4.81 135.00 134.52 1wfo s PRO 28 Ca 0.41 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1wfo s PRO 28 Cb -0.19 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1wfo s PRO 28 CO 0.82 -2.79 0.00 0.41 0.04 0.00 0.00 177.00 175.48 1wfo n GLY 29 N -2.33 0.75 3.74 0.56 0.00 -1.22 -2.32 105.19 104.37 1wfo n GLY 29 Ca 0.12 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.49 4.59 -0.48 1.61 0.04 -1.26 -3.95 135.00 134.05 1wfo s PRO 30 Ca 0.00 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 1wfo s PRO 30 Cb 0.00 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.29 1wfo s PRO 30 CO 0.00 0.08 1.45 -1.25 0.04 0.00 0.00 177.00 177.32 1wfo s PRO 31 N -0.51 3.41 0.49 0.56 0.04 -1.26 -4.71 135.00 133.02 1wfo s PRO 31 Ca 0.49 0.74 -0.03 0.00 0.04 0.00 0.00 61.00 62.25 1wfo s PRO 31 Cb -0.30 -4.09 -0.01 0.00 0.04 0.00 0.00 34.50 30.14 1wfo s PRO 31 CO 0.36 -1.79 0.76 0.00 0.04 0.00 0.00 177.00 176.37 1wfo s MET 32 N 5.30 3.16 0.00 4.56 0.23 -1.26 -4.55 119.30 126.75 1wfo s MET 32 Ca 0.59 -0.16 0.00 0.00 -1.03 0.00 0.00 55.69 55.08 1wfo s MET 32 Cb -0.13 -2.43 0.00 0.00 -1.53 0.00 0.00 34.83 30.74 1wfo s MET 32 CO 0.29 -0.36 0.00 0.41 -2.03 0.00 0.00 175.02 173.33 1wfo n GLY 33 N -2.26 0.71 3.59 3.16 0.00 -1.26 -2.39 105.19 106.74 1wfo n GLY 33 Ca 0.02 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.42 5.01 0.04 -0.61 -1.09 -1.26 -3.80 121.20 117.06 1wfo s ILE 34 Ca 0.00 0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 59.03 1wfo s ILE 34 Cb 0.00 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 1wfo s ILE 34 CO 0.00 -0.11 0.05 -0.76 -1.23 0.00 0.00 174.94 172.89 1wfo s LEU 35 N 2.44 2.03 -0.48 2.97 1.43 -0.91 -5.01 118.68 121.15 1wfo s LEU 35 Ca 0.21 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1wfo s LEU 35 Cb -0.15 0.43 0.13 0.00 0.03 0.00 0.00 46.19 46.62 1wfo s LEU 35 CO 0.12 -0.49 0.23 -0.36 0.23 0.00 0.00 176.35 176.08 1wfo s PHE 36 N -2.70 3.41 -0.06 0.29 0.40 -1.26 -0.92 117.98 117.13 1wfo s PHE 36 Ca -0.04 -2.99 -0.26 0.00 -0.60 0.00 0.00 56.93 53.04 1wfo s PHE 36 Cb -0.01 -2.95 -0.23 0.00 0.51 0.00 0.00 43.02 40.34 1wfo s PHE 36 CO -0.05 -0.83 1.04 -1.00 0.70 0.00 0.00 175.22 175.08 1wfo h PRO 37 N 7.00 0.09 -4.86 0.24 0.13 -1.94 -3.43 132.00 129.24 1wfo h PRO 37 Ca -0.06 -0.09 -0.67 0.00 -0.87 0.00 0.00 66.00 64.31 1wfo h PRO 37 Cb 0.95 0.02 -0.37 0.00 0.13 0.00 0.00 31.00 31.73 1wfo h PRO 37 CO 0.65 0.82 -0.79 -2.00 -0.23 0.00 0.00 178.00 176.45 1wfo s GLU 38 N -3.24 2.22 -0.13 0.86 2.12 -1.13 -5.03 118.70 114.36 1wfo s GLU 38 Ca -0.17 -1.37 -0.04 0.00 0.36 0.00 0.00 54.97 53.76 1wfo s GLU 38 Cb 0.00 -2.91 0.05 0.00 0.26 0.00 0.00 34.13 31.53 1wfo s GLU 38 CO 0.71 -0.59 0.06 0.54 -0.54 0.00 0.00 175.26 175.45 1wfo s VAL 39 N 1.10 0.04 0.00 3.70 0.11 -1.26 0.25 120.40 124.34 1wfo s VAL 39 Ca -0.08 -0.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1wfo s VAL 39 Cb -0.20 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1wfo s VAL 39 CO -0.05 -0.09 0.00 0.54 -3.33 0.00 0.00 175.10 172.17 1wfo n ARG 40 N 5.24 2.70 0.00 1.54 1.74 0.49 -4.61 116.66 123.76 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 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 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 -0.19 0.00 0.23 0.55 -2.24 -1.26 -3.32 114.28 108.05 1wfo n THR 41 Ca 0.00 0.30 -0.03 0.00 -2.27 0.00 0.00 64.05 62.05 1wfo n THR 41 Cb 0.00 -0.72 0.11 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 -0.20 1.42 -3.37 4.28 -2.24 -1.26 -4.43 114.28 108.48 1wfo n THR 42 Ca 0.00 -0.62 0.02 0.00 -2.27 0.00 0.00 64.05 61.18 1wfo n THR 42 Cb 0.00 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 67.60 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 -0.08 -1.12 0.27 3.42 1.04 -1.26 -1.20 113.70 114.77 1wfo s SER 43 Ca 0.21 1.08 0.07 0.00 0.48 0.00 0.00 55.95 57.79 1wfo s SER 43 Cb 0.17 2.09 -0.06 0.00 0.10 0.00 0.00 66.02 68.32 1wfo s SER 43 CO 0.05 -0.21 -0.07 0.68 0.98 0.00 0.00 173.24 174.67 1wfo s VAL 44 N 2.83 1.64 -0.21 5.02 -7.23 0.11 0.18 120.40 122.75 1wfo s VAL 44 Ca 0.06 -2.14 -0.04 0.00 -1.81 0.00 0.00 61.98 58.05 1wfo s VAL 44 Cb -0.12 -2.38 0.11 0.00 0.56 0.00 0.00 36.38 34.55 1wfo s VAL 44 CO -0.19 -0.35 0.34 -0.60 -0.31 0.00 0.00 175.10 173.99 1wfo s ARG 45 N -3.72 0.28 0.41 4.82 3.52 0.69 0.70 118.95 125.66 1wfo s ARG 45 Ca 0.28 0.61 0.07 0.00 -0.13 0.00 0.00 55.73 56.57 1wfo s ARG 45 Cb 0.03 -0.38 -0.05 0.00 -1.56 0.00 0.00 34.95 32.99 1wfo s ARG 45 CO 0.11 -0.51 0.17 -0.48 -0.81 0.00 0.00 175.30 173.78 1wfo s LEU 46 N 2.50 3.11 0.10 -0.88 2.34 -1.01 -2.82 118.68 122.02 1wfo s LEU 46 Ca 0.07 -1.08 0.02 0.00 0.06 0.00 0.00 54.13 53.20 1wfo s LEU 46 Cb -0.14 -1.43 -0.04 0.00 -0.56 0.00 0.00 46.19 44.02 1wfo s LEU 46 CO -0.13 -0.53 -0.06 0.27 -1.06 0.00 0.00 176.35 174.84 1wfo s ILE 47 N -2.60 0.66 0.35 1.48 -0.00 -0.10 -1.96 121.20 119.05 1wfo s ILE 47 Ca 0.41 -1.93 -0.04 0.00 -0.00 0.00 0.00 60.65 59.09 1wfo s ILE 47 Cb 0.04 -1.68 0.01 0.00 -0.00 0.00 0.00 42.46 40.83 1wfo s ILE 47 CO 0.22 -0.88 0.52 -1.66 -0.00 0.00 0.00 174.94 173.14 1wfo s TRP 48 N -3.64 0.95 0.15 1.37 -2.14 0.25 -2.15 118.94 113.73 1wfo s TRP 48 Ca 0.12 -1.24 0.02 0.00 2.66 0.00 0.00 56.10 57.66 1wfo s TRP 48 Cb 0.05 0.04 -0.04 0.00 -3.10 0.00 0.00 33.47 30.42 1wfo s TRP 48 CO -0.05 -1.20 -0.04 -0.65 -2.66 0.00 0.00 176.95 172.35 1wfo s GLN 49 N -2.93 1.03 0.50 3.25 -0.21 -1.01 -4.68 119.66 115.61 1wfo s GLN 49 Ca 0.29 -1.47 -0.19 0.00 0.02 0.00 0.00 55.36 54.00 1wfo s GLN 49 Cb -0.01 -0.33 -0.08 0.00 1.00 0.00 0.00 33.01 33.59 1wfo s GLN 49 CO 0.19 -0.06 1.04 -1.25 -2.12 0.00 0.00 175.29 173.09 1wfo s PRO 50 N -3.86 3.74 -0.13 2.91 0.04 -1.26 -3.98 135.00 132.45 1wfo s PRO 50 Ca 0.19 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 1wfo s PRO 50 Cb 0.05 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1wfo s PRO 50 CO 0.01 -0.48 1.26 -1.25 0.04 0.00 0.00 177.00 176.58 1wfo s PRO 51 N -3.38 4.26 0.56 0.56 0.04 -1.26 -4.76 135.00 131.03 1wfo s PRO 51 Ca 0.66 1.68 0.39 0.00 0.04 0.00 0.00 61.00 63.78 1wfo s PRO 51 Cb -0.16 -3.72 1.51 0.00 0.04 0.00 0.00 34.50 32.17 1wfo s PRO 51 CO 0.23 -0.65 1.65 0.00 0.04 0.00 0.00 177.00 178.27 1wfo h ALA 52 N 8.06 3.27 -3.16 8.56 0.00 -1.92 -2.47 119.26 131.60 1wfo h ALA 52 Ca -0.29 -0.05 -0.66 0.00 0.00 0.00 0.00 54.91 53.92 1wfo h ALA 52 Cb 1.12 0.10 -0.39 0.00 0.00 0.00 0.00 17.79 18.62 1wfo h ALA 52 CO 0.95 -1.78 -0.47 0.00 0.00 0.00 0.00 179.25 177.94 1wfo s ALA 53 N -4.80 3.67 0.13 0.00 0.00 -1.25 -4.45 121.76 115.07 1wfo s ALA 53 Ca -0.05 -3.55 -0.05 0.00 0.00 0.00 0.00 51.96 48.31 1wfo s ALA 53 Cb 0.22 -2.37 -0.08 0.00 0.00 0.00 0.00 23.12 20.89 1wfo s ALA 53 CO 0.76 -2.08 1.32 -1.00 0.00 0.00 0.00 175.76 174.76 1wfo h PRO 54 N 6.17 0.48 -6.92 0.00 0.13 -1.74 -3.21 132.00 126.91 1wfo h PRO 54 Ca 0.04 -0.47 -0.58 0.00 -0.87 0.00 0.00 66.00 64.12 1wfo h PRO 54 Cb 0.85 0.12 -0.21 0.00 0.13 0.00 0.00 31.00 31.89 1wfo h PRO 54 CO 0.73 1.11 -0.92 0.09 -0.23 0.00 0.00 178.00 178.79 1wfo n ASN 55 N -3.80 -0.65 0.00 1.44 3.02 -1.26 -3.25 115.26 110.76 1wfo n ASN 55 Ca -0.07 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1wfo n ASN 55 Cb 0.80 -2.12 0.00 0.00 -0.61 0.00 0.00 39.78 37.85 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 -1.92 3.57 3.61 7.41 0.00 -1.26 -3.26 105.19 113.33 1wfo n GLY 56 Ca -0.16 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 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 0.46 -1.73 -0.61 -0.00 -1.26 -4.88 119.36 111.35 1wfo n ILE 57 Ca 0.00 -0.31 -0.42 0.00 -0.00 0.00 0.00 62.75 62.01 1wfo n ILE 57 Cb 0.00 -2.31 -0.02 0.00 -0.00 0.00 0.00 39.64 37.31 1wfo n ILE 57 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1wfo n ILE 58 N 6.82 0.80 -0.02 1.39 2.08 -1.26 -4.45 119.36 124.72 1wfo n ILE 58 Ca 0.28 -0.20 0.03 0.00 0.56 0.00 0.00 62.75 63.42 1wfo n ILE 58 Cb 0.39 -1.87 -0.10 0.00 -0.75 0.00 0.00 39.64 37.31 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 2.51 0.00 0.00 1.39 4.77 0.51 -4.77 117.00 121.41 1wfo n LEU 59 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1wfo n LEU 59 Cb 0.35 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1wfo n LEU 59 CO 0.64 0.09 0.00 0.00 -1.33 0.00 0.00 177.39 176.79 1wfo n ALA 60 N -2.11 0.00 -2.42 -1.18 0.00 -1.08 -3.47 120.51 110.24 1wfo n ALA 60 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 1wfo n ALA 60 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.85 1.25 -0.02 0.00 1.51 0.88 0.15 117.35 118.28 1wfo s TYR 61 Ca 0.00 -1.39 0.00 0.00 -1.01 0.00 0.00 57.07 54.67 1wfo s TYR 61 Cb 0.00 -0.47 0.02 0.00 -0.11 0.00 0.00 41.96 41.40 1wfo s TYR 61 CO 0.00 -0.82 -0.00 -1.14 -1.11 0.00 0.00 175.55 172.48 1wfo s GLN 62 N -3.77 0.19 -0.27 -0.62 0.74 0.23 0.19 119.66 116.35 1wfo s GLN 62 Ca 0.37 0.04 0.02 0.00 0.05 0.00 0.00 55.36 55.83 1wfo s GLN 62 Cb 0.04 -0.31 0.07 0.00 1.10 0.00 0.00 33.01 33.91 1wfo s GLN 62 CO 0.18 -0.07 -0.02 0.42 -0.55 0.00 0.00 175.29 175.24 1wfo s ILE 63 N 0.62 1.73 -0.26 -2.34 1.01 0.43 -0.43 121.20 121.96 1wfo s ILE 63 Ca -0.06 -1.57 -0.10 0.00 0.00 0.00 0.00 60.65 58.92 1wfo s ILE 63 Cb -0.09 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 1wfo s ILE 63 CO -0.01 -0.27 0.14 0.42 0.00 0.00 0.00 174.94 175.22 1wfo s THR 64 N 1.26 4.97 -0.04 2.92 -4.23 -0.07 -2.71 115.64 117.74 1wfo s THR 64 Ca -0.01 0.05 0.06 0.00 -1.18 0.00 0.00 61.69 60.61 1wfo s THR 64 Cb -0.19 -3.34 -0.01 0.00 1.34 0.00 0.00 72.50 70.30 1wfo s THR 64 CO -0.09 0.30 -0.21 -1.38 -0.54 0.00 0.00 174.62 172.70 1wfo s HIS 65 N 1.60 2.02 -0.19 3.99 -3.43 -1.25 -0.13 115.29 117.90 1wfo s HIS 65 Ca 0.07 -0.54 -0.27 0.00 -0.80 0.00 0.00 55.06 53.51 1wfo s HIS 65 Cb -0.15 -1.33 0.08 0.00 -1.43 0.00 0.00 32.58 29.75 1wfo s HIS 65 CO 0.08 -0.15 0.78 -0.98 -2.00 0.00 0.00 174.74 172.47 1wfo s ARG 66 N -0.18 0.84 -0.13 -0.38 1.70 -1.19 -3.66 118.95 115.95 1wfo s ARG 66 Ca -0.00 0.62 -0.29 0.00 -0.47 0.00 0.00 55.73 55.58 1wfo s ARG 66 Cb -0.11 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.60 1wfo s ARG 66 CO 0.02 -0.18 2.12 1.28 -1.08 0.00 0.00 175.30 177.46 1wfo n LEU 67 N 1.86 3.53 -0.67 -1.89 4.77 -1.26 -1.77 117.00 121.57 1wfo n LEU 67 Ca -0.15 0.49 0.51 0.00 -0.03 0.00 0.00 56.01 56.82 1wfo n LEU 67 Cb 0.56 -1.52 0.78 0.00 -2.33 0.00 0.00 43.42 40.91 1wfo n LEU 67 CO 0.11 -0.35 1.42 -3.20 -1.33 0.00 0.00 177.39 174.03 1wfo n ASN 68 N 9.94 0.02 -3.73 -1.43 2.85 0.09 -3.25 115.26 119.76 1wfo n ASN 68 Ca 0.27 1.01 -0.28 0.00 -0.11 0.00 0.00 54.58 55.46 1wfo n ASN 68 Cb 0.42 -0.50 -0.16 0.00 1.24 0.00 0.00 39.78 40.77 1wfo n ASN 68 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1wfo s THR 69 N -4.84 0.56 0.04 -0.44 -4.23 -1.26 -5.08 115.64 100.39 1wfo s THR 69 Ca -0.05 -0.66 -0.03 0.00 -1.18 0.00 0.00 61.69 59.76 1wfo s THR 69 Cb 0.26 -1.11 0.01 0.00 1.34 0.00 0.00 72.50 73.01 1wfo s THR 69 CO 0.86 -0.27 0.16 0.35 -0.54 0.00 0.00 174.62 175.18 1wfo n THR 70 N 5.03 0.00 -3.39 3.99 -2.24 -1.20 -5.01 114.28 111.46 1wfo n THR 70 Ca -0.08 -0.12 -0.16 0.00 -2.27 0.00 0.00 64.05 61.42 1wfo n THR 70 Cb 0.46 0.14 -0.09 0.00 -2.10 0.00 0.00 70.33 68.74 1wfo n THR 70 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wfo s THR 71 N -2.61 -0.43 0.17 4.28 -4.23 -1.26 -5.10 115.64 106.45 1wfo s THR 71 Ca 0.03 -0.45 0.02 0.00 -1.18 0.00 0.00 61.69 60.11 1wfo s THR 71 Cb -0.01 -0.98 -0.01 0.00 1.34 0.00 0.00 72.50 72.85 1wfo s THR 71 CO 0.01 -0.43 0.18 0.00 -0.54 0.00 0.00 174.62 173.84 1wfo n ALA 72 N 5.32 0.12 0.01 3.99 0.00 -1.26 -5.07 120.51 123.63 1wfo n ALA 72 Ca -0.02 -0.89 -0.18 0.00 0.00 0.00 0.00 53.44 52.36 1wfo n ALA 72 Cb 0.47 0.72 -0.13 0.00 0.00 0.00 0.00 19.45 20.51 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 0.99 0.43 -5.27 0.00 -1.24 -2.08 -3.48 115.58 104.93 1wfo h ASN 73 Ca -0.12 -0.85 0.17 0.00 0.71 0.00 0.00 56.30 56.21 1wfo h ASN 73 Cb 0.59 -0.14 -0.08 0.00 0.73 0.00 0.00 38.32 39.42 1wfo h ASN 73 CO 0.17 1.24 0.47 -0.89 -1.29 0.00 0.00 177.43 177.13 1wfo s THR 74 N -2.85 0.00 0.42 -3.57 2.01 -1.26 -5.17 115.64 105.23 1wfo s THR 74 Ca -0.14 -0.64 -0.10 0.00 0.31 0.00 0.00 61.69 61.13 1wfo s THR 74 Cb 0.02 -1.93 -0.06 0.00 0.01 0.00 0.00 72.50 70.54 1wfo s THR 74 CO 0.81 0.00 0.78 0.00 -0.69 0.00 0.00 174.62 175.52 1wfo s ALA 75 N -3.31 3.35 -0.82 7.40 0.00 -1.26 -5.00 121.76 122.13 1wfo s ALA 75 Ca 0.12 -0.25 -0.25 0.00 0.00 0.00 0.00 51.96 51.58 1wfo s ALA 75 Cb -0.02 -2.69 0.05 0.00 0.00 0.00 0.00 23.12 20.46 1wfo s ALA 75 CO 0.02 -0.09 1.27 0.99 0.00 0.00 0.00 175.76 177.95 1wfo s THR 76 N -2.46 3.92 -0.01 0.00 2.01 -1.24 -4.98 115.64 112.88 1wfo s THR 76 Ca 0.51 -0.13 -0.23 0.00 0.31 0.00 0.00 61.69 62.14 1wfo s THR 76 Cb -0.10 -4.92 -0.05 0.00 0.01 0.00 0.00 72.50 67.44 1wfo s THR 76 CO 0.34 -1.80 0.70 -0.69 -0.69 0.00 0.00 174.62 172.48 1wfo s VAL 77 N 5.12 4.90 -0.04 3.82 1.01 -1.26 -3.84 120.40 130.11 1wfo s VAL 77 Ca 0.36 1.46 0.04 0.00 0.00 0.00 0.00 61.98 63.84 1wfo s VAL 77 Cb -0.07 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 1wfo s VAL 77 CO 0.06 0.33 -0.15 -0.70 0.00 0.00 0.00 175.10 174.64 1wfo s GLU 78 N 0.25 1.54 -0.19 2.72 2.12 -1.10 -5.00 118.70 119.05 1wfo s GLU 78 Ca 0.36 -0.53 -0.14 0.00 0.36 0.00 0.00 54.97 55.03 1wfo s GLU 78 Cb -0.19 -1.37 -0.05 0.00 0.26 0.00 0.00 34.13 32.79 1wfo s GLU 78 CO 0.20 0.22 0.29 0.08 -0.54 0.00 0.00 175.26 175.50 1wfo s VAL 79 N 0.05 5.29 0.43 3.70 1.01 -1.26 -0.43 120.40 129.20 1wfo s VAL 79 Ca -0.03 0.50 0.08 0.00 0.00 0.00 0.00 61.98 62.53 1wfo s VAL 79 Cb -0.10 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1wfo s VAL 79 CO 0.02 0.35 0.42 -0.76 0.00 0.00 0.00 175.10 175.13 1wfo s LEU 80 N 0.78 3.36 0.84 3.92 1.43 0.51 -4.91 118.68 124.62 1wfo s LEU 80 Ca 0.15 -0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 1wfo s LEU 80 Cb -0.13 -2.05 0.10 0.00 0.03 0.00 0.00 46.19 44.14 1wfo s LEU 80 CO 0.05 -0.73 1.14 0.00 0.23 0.00 0.00 176.35 177.03 1wfo s ALA 81 N -2.49 2.23 -1.07 4.21 0.00 -1.26 -0.09 121.76 123.29 1wfo s ALA 81 Ca 0.49 -0.49 0.22 0.00 0.00 0.00 0.00 51.96 52.17 1wfo s ALA 81 Cb -0.04 -3.02 0.96 0.00 0.00 0.00 0.00 23.12 21.02 1wfo s ALA 81 CO 0.29 -1.90 1.70 -0.35 0.00 0.00 0.00 175.76 175.50 1wfo n PRO 82 N -3.50 0.06 -1.20 0.00 -0.04 -1.23 -2.68 135.00 126.40 1wfo n PRO 82 Ca 0.07 0.12 -0.14 0.00 -0.04 0.00 0.00 63.50 63.51 1wfo n PRO 82 Cb 0.59 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.46 3.85 -4.72 3.54 3.41 -1.26 -4.83 113.62 112.15 1wfo n SER 83 Ca 0.06 -3.79 -0.37 0.00 -0.26 0.00 0.00 58.87 54.52 1wfo n SER 83 Cb 0.24 -0.62 -0.07 0.00 -0.26 0.00 0.00 64.21 63.51 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 -3.43 3.55 -0.03 7.33 0.00 -1.09 -4.93 121.76 123.15 1wfo s ALA 84 Ca 0.49 -0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.16 1wfo s ALA 84 Cb 0.43 -2.50 -0.12 0.00 0.00 0.00 0.00 23.12 20.92 1wfo s ALA 84 CO 0.01 0.02 0.13 -2.13 0.00 0.00 0.00 175.76 173.78 1wfo n ARG 85 N 3.71 1.11 -4.00 0.00 3.00 -1.26 -4.94 116.66 114.28 1wfo n ARG 85 Ca -0.10 -0.05 -0.10 0.00 -0.00 0.00 0.00 57.85 57.61 1wfo n ARG 85 Cb 0.52 -1.20 -0.06 0.00 0.00 0.00 0.00 32.46 31.72 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 -2.44 1.42 -0.15 -0.14 -2.07 -1.26 -0.58 119.66 114.43 1wfo s GLN 86 Ca -0.03 -1.26 -0.13 0.00 -1.82 0.00 0.00 55.36 52.12 1wfo s GLN 86 Cb 0.04 0.43 0.04 0.00 -1.09 0.00 0.00 33.01 32.44 1wfo s GLN 86 CO 0.34 -0.57 0.40 -0.47 -1.32 0.00 0.00 175.29 173.67 1wfo s TYR 87 N -4.02 -0.48 -0.23 9.60 6.14 -0.83 -5.01 117.35 122.53 1wfo s TYR 87 Ca 0.23 1.13 -0.09 0.00 0.64 0.00 0.00 57.07 58.97 1wfo s TYR 87 Cb 0.01 0.18 -0.04 0.00 0.42 0.00 0.00 41.96 42.53 1wfo s TYR 87 CO 0.07 -0.25 0.12 0.99 0.64 0.00 0.00 175.55 177.12 1wfo s THR 88 N 0.55 5.05 -0.24 4.34 2.01 -1.26 -2.40 115.64 123.67 1wfo s THR 88 Ca -0.03 0.07 -0.10 0.00 0.31 0.00 0.00 61.69 61.94 1wfo s THR 88 Cb -0.04 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 1wfo s THR 88 CO -0.03 0.37 0.15 0.00 -0.69 0.00 0.00 174.62 174.42 1wfo s ALA 89 N 0.99 3.52 0.20 7.40 0.00 0.22 -4.96 121.76 129.12 1wfo s ALA 89 Ca 0.06 -0.95 0.10 0.00 0.00 0.00 0.00 51.96 51.17 1wfo s ALA 89 Cb -0.14 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1wfo s ALA 89 CO 0.04 -0.27 -0.20 0.95 0.00 0.00 0.00 175.76 176.28 1wfo s THR 90 N 1.22 2.09 -0.31 0.00 -4.23 -1.26 0.06 115.64 113.21 1wfo s THR 90 Ca 0.07 -2.09 -0.01 0.00 -1.18 0.00 0.00 61.69 58.48 1wfo s THR 90 Cb -0.14 -2.04 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 1wfo s THR 90 CO 0.06 -0.31 0.28 0.61 -0.54 0.00 0.00 174.62 174.71 1wfo n GLY 91 N 0.01 -0.02 3.47 3.99 0.00 -0.34 -4.96 105.19 107.34 1wfo n GLY 91 Ca -0.11 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.43 2.16 -0.18 0.99 1.43 -1.19 -5.03 118.68 113.42 1wfo s LEU 92 Ca 0.10 -1.43 -0.08 0.00 -1.03 0.00 0.00 54.13 51.69 1wfo s LEU 92 Cb -0.01 -0.35 -0.04 0.00 0.03 0.00 0.00 46.19 45.81 1wfo s LEU 92 CO 0.24 -0.66 0.08 -0.75 0.23 0.00 0.00 176.35 175.49 1wfo s LYS 93 N -3.87 4.02 0.71 1.70 2.20 -1.26 -4.18 119.74 119.06 1wfo s LYS 93 Ca 0.34 -0.31 -0.11 0.00 -0.36 0.00 0.00 55.97 55.53 1wfo s LYS 93 Cb 0.08 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 33.15 1wfo s LYS 93 CO 0.15 0.29 1.07 -1.25 -0.36 0.00 0.00 175.35 175.25 1wfo s PRO 94 N 0.33 2.82 -0.95 4.03 0.04 -1.26 -4.02 135.00 136.00 1wfo s PRO 94 Ca 0.04 0.91 -0.04 0.00 0.04 0.00 0.00 61.00 61.95 1wfo s PRO 94 Cb -0.12 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1wfo s PRO 94 CO -0.00 -1.17 0.82 0.39 0.04 0.00 0.00 177.00 177.07 1wfo n GLU 95 N -3.17 -5.47 -3.34 4.56 -0.58 0.49 -4.98 120.64 108.14 1wfo n GLU 95 Ca 0.07 0.61 -0.11 0.00 -0.42 0.00 0.00 57.16 57.31 1wfo n GLU 95 Cb 0.54 -4.95 -0.02 0.00 -0.57 0.00 0.00 31.44 26.44 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 -2.03 -1.08 -4.15 1.62 7.64 -1.26 -4.98 113.62 109.38 1wfo n SER 96 Ca -0.06 -2.40 -0.25 0.00 1.01 0.00 0.00 58.87 57.16 1wfo n SER 96 Cb 0.57 1.99 -0.16 0.00 -1.01 0.00 0.00 64.21 65.60 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 -2.68 1.41 -0.08 0.44 1.01 -1.26 -1.57 120.40 117.65 1wfo s VAL 97 Ca 0.21 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1wfo s VAL 97 Cb -0.01 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1wfo s VAL 97 CO 0.15 0.40 -0.15 -0.31 0.00 0.00 0.00 175.10 175.19 1wfo s TYR 98 N -0.22 1.77 -0.33 5.22 2.02 -0.19 -0.73 117.35 124.89 1wfo s TYR 98 Ca 0.02 -0.73 -0.19 0.00 -0.37 0.00 0.00 57.07 55.81 1wfo s TYR 98 Cb -0.09 -1.27 -0.01 0.00 -0.40 0.00 0.00 41.96 40.20 1wfo s TYR 98 CO 0.00 -0.36 0.56 -1.17 -1.57 0.00 0.00 175.55 173.02 1wfo s LEU 99 N 0.74 4.23 -0.37 -1.29 1.98 -0.73 -0.16 118.68 123.09 1wfo s LEU 99 Ca -0.12 0.20 -0.15 0.00 -2.89 0.00 0.00 54.13 51.17 1wfo s LEU 99 Cb -0.16 -2.68 -0.00 0.00 0.66 0.00 0.00 46.19 44.00 1wfo s LEU 99 CO 0.03 -0.47 0.33 -0.36 -1.89 0.00 0.00 176.35 173.99 1wfo s PHE 100 N 2.49 3.21 -0.36 5.38 0.40 0.53 -3.19 117.98 126.45 1wfo s PHE 100 Ca 0.22 -0.23 -0.11 0.00 -0.60 0.00 0.00 56.93 56.20 1wfo s PHE 100 Cb -0.15 -2.63 0.01 0.00 0.51 0.00 0.00 43.02 40.76 1wfo s PHE 100 CO 0.13 -0.48 0.21 0.50 0.70 0.00 0.00 175.22 176.27 1wfo s ARG 101 N 1.89 3.04 -0.10 0.44 3.52 0.82 0.40 118.95 128.95 1wfo s ARG 101 Ca 0.09 -0.94 -0.10 0.00 -0.13 0.00 0.00 55.73 54.65 1wfo s ARG 101 Cb -0.17 -3.72 -0.05 0.00 -1.56 0.00 0.00 34.95 29.45 1wfo s ARG 101 CO 0.11 -0.61 0.22 0.42 -0.81 0.00 0.00 175.30 174.64 1wfo s ILE 102 N 1.60 5.36 0.07 4.11 1.01 0.11 -0.89 121.20 132.57 1wfo s ILE 102 Ca 0.03 0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.97 1wfo s ILE 102 Cb -0.18 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 38.79 1wfo s ILE 102 CO 0.07 0.57 0.25 -0.89 0.00 0.00 0.00 174.94 174.94 1wfo s THR 103 N -0.79 0.11 0.24 2.92 2.01 0.43 -0.08 115.64 120.47 1wfo s THR 103 Ca 0.17 -0.92 0.09 0.00 0.31 0.00 0.00 61.69 61.34 1wfo s THR 103 Cb -0.13 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1wfo s THR 103 CO 0.06 -0.51 -0.00 0.00 -0.69 0.00 0.00 174.62 173.48 1wfo s ALA 104 N -3.27 3.17 -0.14 7.40 0.00 -1.26 0.78 121.76 128.44 1wfo s ALA 104 Ca 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 50.42 1wfo s ALA 104 Cb 0.02 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.31 1wfo s ALA 104 CO -0.08 0.33 -0.18 -1.14 0.00 0.00 0.00 175.76 174.69 1wfo s GLN 105 N -3.44 2.63 0.00 0.00 0.74 0.39 -3.52 119.66 116.46 1wfo s GLN 105 Ca 0.30 -0.70 0.00 0.00 0.05 0.00 0.00 55.36 55.01 1wfo s GLN 105 Cb -0.07 -2.24 0.00 0.00 1.10 0.00 0.00 33.01 31.80 1wfo s GLN 105 CO 0.19 -0.12 0.00 0.25 -0.55 0.00 0.00 175.29 175.07 1wfo n THR 106 N 4.38 0.00 0.35 -0.34 -2.24 0.28 0.19 114.28 116.90 1wfo n THR 106 Ca -0.19 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.73 1wfo n THR 106 Cb 0.51 0.00 0.52 0.00 -2.10 0.00 0.00 70.33 69.25 1wfo n THR 106 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1wfo h ARG 107 N 0.00 0.00 0.11 -0.78 0.11 -1.93 -3.05 114.38 108.85 1wfo h ARG 107 Ca 0.00 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.78 1wfo h ARG 107 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1wfo h ARG 107 CO 0.00 0.00 -1.55 0.87 0.10 0.00 0.00 179.97 179.39 1wfo h LYS 108 N 0.00 0.24 0.00 0.08 1.79 -1.95 -3.51 116.57 113.22 1wfo h LYS 108 Ca 0.00 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1wfo h LYS 108 Cb 0.56 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1wfo h LYS 108 CO 0.00 1.20 0.00 0.41 -1.08 0.00 0.00 179.45 179.98 1wfo n GLY 109 N 1.78 -0.13 3.28 3.86 0.00 -1.15 -4.95 105.19 107.88 1wfo n GLY 109 Ca -0.27 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.06 3.04 0.00 1.61 0.52 -1.26 -0.56 118.94 120.24 1wfo s TRP 110 Ca 0.00 -1.15 0.00 0.00 0.02 0.00 0.00 56.10 54.97 1wfo s TRP 110 Cb 0.00 -2.13 0.00 0.00 -1.15 0.00 0.00 33.47 30.19 1wfo s TRP 110 CO 0.00 -0.61 0.00 0.41 0.02 0.00 0.00 176.95 176.77 1wfo n GLY 111 N 4.77 0.60 3.44 0.98 0.00 -1.23 -4.96 105.19 108.80 1wfo n GLY 111 Ca -0.17 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.97 -4.19 1.61 4.71 -0.98 -4.81 120.64 116.01 1wfo n GLU 112 Ca 0.00 -0.24 -0.18 0.00 -0.01 0.00 0.00 57.16 56.73 1wfo n GLU 112 Cb 0.00 -1.96 -0.15 0.00 -1.01 0.00 0.00 31.44 28.32 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 -2.40 0.57 -0.24 0.62 0.00 -1.26 -4.38 121.76 114.66 1wfo s ALA 113 Ca 0.60 -0.17 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 1wfo s ALA 113 Cb -0.20 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1wfo s ALA 113 CO 0.65 0.07 0.39 0.00 0.00 0.00 0.00 175.76 176.88 1wfo s ALA 114 N 0.30 3.57 -0.24 0.00 0.00 0.88 -4.83 121.76 121.44 1wfo s ALA 114 Ca -0.04 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 1wfo s ALA 114 Cb -0.08 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 1wfo s ALA 114 CO -0.00 -0.52 0.18 -1.21 0.00 0.00 0.00 175.76 174.21 1wfo s GLU 115 N 1.78 4.06 -0.07 0.00 2.02 -1.26 0.06 118.70 125.29 1wfo s GLU 115 Ca 0.17 -0.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.91 1wfo s GLU 115 Cb -0.15 -3.56 0.03 0.00 0.10 0.00 0.00 34.13 30.55 1wfo s GLU 115 CO 0.09 0.02 -0.02 0.00 0.02 0.00 0.00 175.26 175.37 1wfo s ALA 116 N 1.17 0.78 0.13 5.21 0.00 0.16 -4.92 121.76 124.30 1wfo s ALA 116 Ca 0.08 -0.17 -0.13 0.00 0.00 0.00 0.00 51.96 51.74 1wfo s ALA 116 Cb -0.14 -0.70 -0.07 0.00 0.00 0.00 0.00 23.12 22.22 1wfo s ALA 116 CO 0.06 -0.36 0.51 -0.51 0.00 0.00 0.00 175.76 175.46 1wfo s LEU 117 N 1.70 4.34 -0.14 0.00 1.43 -1.26 0.20 118.68 124.96 1wfo s LEU 117 Ca 0.01 1.01 -0.06 0.00 -1.03 0.00 0.00 54.13 54.06 1wfo s LEU 117 Cb -0.13 -3.19 0.06 0.00 0.03 0.00 0.00 46.19 42.97 1wfo s LEU 117 CO -0.04 0.12 0.32 0.54 0.23 0.00 0.00 176.35 177.52 1wfo s VAL 118 N -1.44 -0.21 0.32 -1.59 0.11 0.78 -4.94 120.40 113.43 1wfo s VAL 118 Ca 0.36 0.17 -0.15 0.00 -2.93 0.00 0.00 61.98 59.43 1wfo s VAL 118 Cb -0.15 -0.50 -0.09 0.00 -1.53 0.00 0.00 36.38 34.12 1wfo s VAL 118 CO 0.19 0.07 0.73 -0.69 -3.33 0.00 0.00 175.10 172.07 1wfo s VAL 119 N 1.77 4.68 -0.38 2.04 1.01 -1.26 -1.02 120.40 127.24 1wfo s VAL 119 Ca -0.06 0.94 -0.14 0.00 0.00 0.00 0.00 61.98 62.72 1wfo s VAL 119 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1wfo s VAL 119 CO -0.10 -0.18 0.30 0.42 0.00 0.00 0.00 175.10 175.53 1wfo s THR 120 N -1.98 5.25 -0.04 3.92 -4.23 -0.61 -4.88 115.64 113.07 1wfo s THR 120 Ca 0.54 -0.41 -0.31 0.00 -1.18 0.00 0.00 61.69 60.33 1wfo s THR 120 Cb -0.10 -3.85 0.13 0.00 1.34 0.00 0.00 72.50 70.01 1wfo s THR 120 CO 0.17 -0.19 1.34 0.28 -0.54 0.00 0.00 174.62 175.68 1wfo s THR 121 N 1.76 0.00 -0.10 3.99 -1.32 -1.21 -0.38 115.64 118.38 1wfo s THR 121 Ca 0.07 -0.14 0.22 0.00 -1.21 0.00 0.00 61.69 60.62 1wfo s THR 121 Cb -0.18 -2.13 -0.22 0.00 -1.51 0.00 0.00 72.50 68.45 1wfo s THR 121 CO 0.11 0.00 0.65 -0.62 -2.21 0.00 0.00 174.62 172.54 1wfo n GLU 122 N -0.55 0.64 -2.82 7.08 1.02 -1.26 -4.38 120.64 120.37 1wfo n GLU 122 Ca -0.07 -0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.57 1wfo n GLU 122 Cb 0.63 -1.63 -0.03 0.00 -0.02 0.00 0.00 31.44 30.39 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 -3.40 4.35 -0.01 3.49 1.02 -1.26 -5.03 119.74 118.89 1wfo s LYS 123 Ca -0.06 1.15 -0.01 0.00 0.02 0.00 0.00 55.97 57.08 1wfo s LYS 123 Cb 0.12 -3.56 0.01 0.00 -0.52 0.00 0.00 37.83 33.88 1wfo s LYS 123 CO 0.87 -0.31 0.03 0.50 -0.92 0.00 0.00 175.35 175.51 1wfo s ARG 124 N 2.07 0.02 -0.06 1.68 3.52 -1.26 -5.04 118.95 119.87 1wfo s ARG 124 Ca 0.42 0.07 -0.03 0.00 -0.13 0.00 0.00 55.73 56.06 1wfo s ARG 124 Cb -0.17 -0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.15 1wfo s ARG 124 CO 0.14 -0.04 -0.08 0.43 -0.81 0.00 0.00 175.30 174.95 1wfo n SER 125 N 3.31 0.50 0.00 -2.12 7.64 -1.26 -5.14 113.62 116.55 1wfo n SER 125 Ca -0.15 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1wfo n SER 125 Cb 0.58 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 2.64 2.03 3.78 0.23 0.00 -1.26 -5.12 105.19 107.49 1wfo n GLY 126 Ca -0.12 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.00 0.49 -0.14 1.61 0.04 -1.26 -5.05 135.00 127.70 1wfo s PRO 127 Ca 0.00 0.04 -0.13 0.00 0.04 0.00 0.00 61.00 60.95 1wfo s PRO 127 Cb 0.00 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1wfo s PRO 127 CO 0.00 -2.59 -0.25 0.43 0.04 0.00 0.00 177.00 174.63 1wfo n SER 128 N -3.99 1.49 -4.00 6.66 7.64 -1.26 -5.05 113.62 115.11 1wfo n SER 128 Ca 0.10 0.29 -0.09 0.00 1.01 0.00 0.00 58.87 60.19 1wfo n SER 128 Cb 0.59 -0.70 -0.11 0.00 -1.01 0.00 0.00 64.21 62.99 1wfo n SER 128 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfo s SER 129 N -5.44 0.29 0.00 6.43 0.15 -1.26 -5.34 113.70 108.53 1wfo s SER 129 Ca -0.21 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1wfo s SER 129 Cb 0.03 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1wfo s SER 129 CO 0.31 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.00