#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 0.00 -3.71 1.61 3.41 -1.26 -5.19 113.62 108.48 1wfo n SER 2 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1wfo n SER 2 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1wfo n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wfo s SER 3 N 0.00 -0.16 0.00 4.04 1.04 -1.26 -5.18 113.70 112.18 1wfo s SER 3 Ca 0.00 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1wfo s SER 3 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1wfo s SER 3 CO 0.00 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1wfo n GLY 4 N -0.45 4.58 0.00 7.32 0.00 -1.26 -5.16 105.19 110.21 1wfo n GLY 4 Ca -0.07 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1wfo n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfo n SER 5 N 0.00 0.00 -3.72 1.61 2.88 -1.26 -5.19 113.62 107.94 1wfo n SER 5 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1wfo n SER 5 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1wfo n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wfo s SER 6 N 0.00 -0.15 0.00 -3.46 1.04 -1.26 -5.18 113.70 104.69 1wfo s SER 6 Ca 0.00 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1wfo s SER 6 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1wfo s SER 6 CO 0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1wfo n GLY 7 N -0.49 1.53 3.64 7.32 0.00 -1.26 -5.18 105.19 110.75 1wfo n GLY 7 Ca -0.06 0.18 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.45 0.26 0.18 1.61 3.00 -1.26 -5.18 118.95 117.12 1wfo s ARG 8 Ca 0.00 0.26 0.08 0.00 0.00 0.00 0.00 55.73 56.07 1wfo s ARG 8 Cb 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 34.95 35.03 1wfo s ARG 8 CO 0.00 -0.04 -0.16 0.96 0.00 0.00 0.00 175.30 176.06 1wfo s ILE 9 N -0.09 1.76 0.00 1.52 -5.25 -1.26 -5.05 121.20 112.83 1wfo s ILE 9 Ca 0.05 -2.05 0.00 0.00 -0.99 0.00 0.00 60.65 57.66 1wfo s ILE 9 Cb -0.04 -1.92 0.00 0.00 2.95 0.00 0.00 42.46 43.45 1wfo s ILE 9 CO -0.10 -0.46 0.00 0.61 -1.79 0.00 0.00 174.94 173.20 1wfo n GLY 10 N -0.03 1.46 3.63 6.27 0.00 -1.26 -5.18 105.19 110.09 1wfo n GLY 10 Ca -0.11 -0.75 -0.01 0.00 0.00 0.00 0.00 46.02 45.15 1wfo n GLY 10 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wfo s ASP 11 N 0.00 -0.01 0.00 1.61 -4.77 -1.26 -5.16 116.67 107.08 1wfo s ASP 11 Ca 0.00 -0.00 0.00 0.00 -3.30 0.00 0.00 52.55 49.25 1wfo s ASP 11 Cb 0.00 0.01 0.00 0.00 -1.09 0.00 0.00 42.92 41.84 1wfo s ASP 11 CO 0.00 -0.02 0.00 0.61 0.70 0.00 0.00 175.17 176.46 1wfo n GLY 12 N -0.09 1.52 3.01 2.12 0.00 -1.26 -5.15 105.19 105.34 1wfo n GLY 12 Ca 0.03 0.30 0.05 0.00 0.00 0.00 0.00 46.02 46.39 1wfo n GLY 12 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfo s SER 13 N 0.00 -0.10 0.93 1.61 1.04 -1.26 -5.17 113.70 110.75 1wfo s SER 13 Ca 0.00 -0.01 -0.13 0.00 0.48 0.00 0.00 55.95 56.29 1wfo s SER 13 Cb 0.00 0.77 0.15 0.00 0.10 0.00 0.00 66.02 67.05 1wfo s SER 13 CO 0.00 -0.02 1.15 -2.16 0.98 0.00 0.00 173.24 173.19 1wfo s PRO 14 N 2.69 0.97 0.23 4.02 0.04 -1.26 -5.08 135.00 136.61 1wfo s PRO 14 Ca 0.27 0.22 0.10 0.00 0.04 0.00 0.00 61.00 61.63 1wfo s PRO 14 Cb 0.02 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1wfo s PRO 14 CO -0.20 -2.30 -0.08 -1.54 0.04 0.00 0.00 177.00 172.92 1wfo s SER 15 N -4.08 4.25 0.57 6.66 1.04 -1.26 -5.14 113.70 115.74 1wfo s SER 15 Ca 0.65 -0.69 -0.04 0.00 0.48 0.00 0.00 55.95 56.35 1wfo s SER 15 Cb -0.14 -0.69 0.01 0.00 0.10 0.00 0.00 66.02 65.30 1wfo s SER 15 CO 0.53 0.05 0.85 -1.38 0.98 0.00 0.00 173.24 174.27 1wfo s HIS 16 N -2.10 3.18 0.52 5.02 -3.43 -1.26 -5.07 115.29 112.15 1wfo s HIS 16 Ca 0.28 0.48 -0.19 0.00 -0.80 0.00 0.00 55.06 54.84 1wfo s HIS 16 Cb -0.07 -2.69 -0.07 0.00 -1.43 0.00 0.00 32.58 28.32 1wfo s HIS 16 CO 0.17 -0.78 1.04 -1.25 -2.00 0.00 0.00 174.74 171.92 1wfo s PRO 17 N -4.90 3.67 0.92 -0.38 0.04 -1.26 -5.05 135.00 128.04 1wfo s PRO 17 Ca 0.53 1.30 -0.13 0.00 0.04 0.00 0.00 61.00 62.75 1wfo s PRO 17 Cb -0.10 -2.08 0.14 0.00 0.04 0.00 0.00 34.50 32.50 1wfo s PRO 17 CO 0.43 -0.53 1.14 -1.25 0.04 0.00 0.00 177.00 176.83 1wfo s PRO 18 N -3.51 1.07 -0.00 0.56 0.04 -1.26 -5.01 135.00 126.88 1wfo s PRO 18 Ca 0.66 0.26 -0.26 0.00 0.04 0.00 0.00 61.00 61.70 1wfo s PRO 18 Cb -0.16 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1wfo s PRO 18 CO 0.25 -2.24 0.79 0.42 0.04 0.00 0.00 177.00 176.26 1wfo s ILE 19 N -3.29 4.87 -0.25 0.56 -1.09 -1.26 -5.03 121.20 115.71 1wfo s ILE 19 Ca 0.64 1.67 -0.02 0.00 -2.23 0.00 0.00 60.65 60.71 1wfo s ILE 19 Cb -0.14 -4.14 0.13 0.00 -1.58 0.00 0.00 42.46 36.73 1wfo s ILE 19 CO 0.53 0.28 0.35 -0.22 -1.23 0.00 0.00 174.94 174.65 1wfo s LEU 20 N 0.48 -0.54 -1.25 2.97 2.96 -1.26 -5.07 118.68 116.96 1wfo s LEU 20 Ca 0.41 -0.04 -0.19 0.00 -0.22 0.00 0.00 54.13 54.08 1wfo s LEU 20 Cb -0.20 0.95 0.03 0.00 0.50 0.00 0.00 46.19 47.47 1wfo s LEU 20 CO 0.22 -0.32 1.78 -1.61 -1.32 0.00 0.00 176.35 175.10 1wfo s GLU 21 N 2.50 3.58 0.00 1.98 2.02 -1.26 -4.66 118.70 122.86 1wfo s GLU 21 Ca 0.11 -1.73 0.00 0.00 0.02 0.00 0.00 54.97 53.37 1wfo s GLU 21 Cb -0.15 -5.45 0.00 0.00 0.10 0.00 0.00 34.13 28.63 1wfo s GLU 21 CO -0.20 -2.71 0.00 0.54 0.02 0.00 0.00 175.26 172.91 1wfo n ARG 22 N 8.40 0.00 0.00 1.61 1.74 -1.26 -5.08 116.66 122.07 1wfo n ARG 22 Ca 0.47 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 1wfo n ARG 22 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 1wfo n ARG 22 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1wfo n THR 23 N 0.00 0.00 -3.18 0.55 -1.04 -1.26 -4.89 114.28 104.46 1wfo n THR 23 Ca 0.00 1.41 0.00 0.00 -2.04 0.00 0.00 64.05 63.42 1wfo n THR 23 Cb 0.00 -2.09 0.00 0.00 -1.82 0.00 0.00 70.33 66.42 1wfo n THR 23 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1wfo n LEU 24 N -2.32 0.00 -3.61 -4.42 7.99 -1.26 -5.04 117.00 108.35 1wfo n LEU 24 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 56.01 56.01 1wfo n LEU 24 Cb 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.30 1wfo n LEU 24 CO 0.00 0.00 1.08 -1.81 -1.51 0.00 0.00 177.39 175.15 1wfo s ASP 25 N 0.63 -0.05 0.27 -1.43 1.01 -1.24 -4.93 116.67 110.92 1wfo s ASP 25 Ca 0.00 -0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.16 1wfo s ASP 25 Cb 0.00 0.13 0.00 0.00 1.01 0.00 0.00 42.92 44.06 1wfo s ASP 25 CO 0.00 -0.24 0.00 0.47 0.21 0.00 0.00 175.17 175.61 1wfo n ASP 26 N -0.44 -3.47 -4.91 0.27 8.00 -1.25 -4.20 116.55 110.54 1wfo n ASP 26 Ca -0.08 0.62 -0.27 0.00 0.71 0.00 0.00 54.79 55.78 1wfo n ASP 26 Cb 0.62 -2.17 0.00 0.00 -0.02 0.00 0.00 41.12 39.56 1wfo n ASP 26 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1wfo s VAL 27 N -3.46 4.78 0.83 2.53 -7.23 -1.26 -4.34 120.40 112.25 1wfo s VAL 27 Ca 0.00 0.11 -0.12 0.00 -1.81 0.00 0.00 61.98 60.16 1wfo s VAL 27 Cb 0.00 -3.81 0.09 0.00 0.56 0.00 0.00 36.38 33.21 1wfo s VAL 27 CO 0.00 -0.78 1.11 -2.16 -0.31 0.00 0.00 175.10 172.96 1wfo s PRO 28 N -4.73 1.82 0.00 4.82 0.04 -1.19 -4.79 135.00 130.97 1wfo s PRO 28 Ca 0.47 0.54 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1wfo s PRO 28 Cb -0.10 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1wfo s PRO 28 CO 0.44 -1.78 0.00 0.41 0.04 0.00 0.00 177.00 176.11 1wfo n GLY 29 N -2.14 -0.01 3.73 0.56 0.00 -1.23 -2.74 105.19 103.36 1wfo n GLY 29 Ca 0.07 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.53 4.55 -0.46 1.61 0.04 -1.26 -3.99 135.00 134.97 1wfo s PRO 30 Ca 0.00 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 62.50 1wfo s PRO 30 Cb 0.00 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.26 1wfo s PRO 30 CO 0.00 0.00 1.44 -1.25 0.04 0.00 0.00 177.00 177.23 1wfo s PRO 31 N -0.12 3.45 0.46 0.56 0.04 -1.26 -4.72 135.00 133.40 1wfo s PRO 31 Ca 0.51 0.80 -0.01 0.00 0.04 0.00 0.00 61.00 62.34 1wfo s PRO 31 Cb -0.30 -4.07 -0.01 0.00 0.04 0.00 0.00 34.50 30.16 1wfo s PRO 31 CO 0.34 -1.73 0.70 0.00 0.04 0.00 0.00 177.00 176.35 1wfo s MET 32 N 5.20 3.15 0.00 4.56 0.23 -1.26 -4.51 119.30 126.68 1wfo s MET 32 Ca 0.59 -0.33 0.00 0.00 -1.03 0.00 0.00 55.69 54.93 1wfo s MET 32 Cb -0.13 -2.51 0.00 0.00 -1.53 0.00 0.00 34.83 30.66 1wfo s MET 32 CO 0.30 -0.27 0.00 0.41 -2.03 0.00 0.00 175.02 173.43 1wfo n GLY 33 N -2.13 1.01 3.49 3.16 0.00 -1.26 -2.35 105.19 107.10 1wfo n GLY 33 Ca 0.01 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.43 4.50 0.16 -0.61 -1.09 -1.26 -3.74 121.20 116.73 1wfo s ILE 34 Ca 0.00 -0.01 0.06 0.00 -2.23 0.00 0.00 60.65 58.48 1wfo s ILE 34 Cb 0.00 -4.50 -0.04 0.00 -1.58 0.00 0.00 42.46 36.33 1wfo s ILE 34 CO 0.00 -1.09 -0.13 -0.76 -1.23 0.00 0.00 174.94 171.73 1wfo s LEU 35 N 3.65 2.50 -0.46 2.97 2.01 -0.81 -4.99 118.68 123.55 1wfo s LEU 35 Ca 0.25 -0.95 0.04 0.00 0.01 0.00 0.00 54.13 53.48 1wfo s LEU 35 Cb -0.15 -0.54 0.12 0.00 0.01 0.00 0.00 46.19 45.63 1wfo s LEU 35 CO 0.16 -0.21 0.20 -0.36 1.01 0.00 0.00 176.35 177.15 1wfo s PHE 36 N -2.82 3.17 -0.08 0.29 0.40 -1.26 -1.12 117.98 116.55 1wfo s PHE 36 Ca 0.17 -3.02 -0.26 0.00 -0.60 0.00 0.00 56.93 53.22 1wfo s PHE 36 Cb -0.01 -2.72 -0.21 0.00 0.51 0.00 0.00 43.02 40.58 1wfo s PHE 36 CO 0.04 -0.80 0.95 -1.00 0.70 0.00 0.00 175.22 175.11 1wfo h PRO 37 N 6.85 -0.03 -4.89 0.24 0.13 -1.94 -3.43 132.00 128.93 1wfo h PRO 37 Ca -0.06 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.39 1wfo h PRO 37 Cb 0.93 0.01 -0.35 0.00 0.13 0.00 0.00 31.00 31.72 1wfo h PRO 37 CO 0.62 0.65 -0.79 -2.00 -0.23 0.00 0.00 178.00 176.26 1wfo s GLU 38 N -3.16 2.48 -0.10 0.86 2.12 -1.12 -5.06 118.70 114.72 1wfo s GLU 38 Ca -0.16 -1.20 -0.03 0.00 0.36 0.00 0.00 54.97 53.94 1wfo s GLU 38 Cb -0.01 -2.90 0.04 0.00 0.26 0.00 0.00 34.13 31.53 1wfo s GLU 38 CO 0.63 -0.49 0.08 0.54 -0.54 0.00 0.00 175.26 175.48 1wfo s VAL 39 N 1.19 -0.12 0.00 3.70 0.11 -1.26 0.26 120.40 124.28 1wfo s VAL 39 Ca -0.05 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 1wfo s VAL 39 Cb -0.18 -0.34 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 1wfo s VAL 39 CO -0.06 -0.01 0.00 0.54 -3.33 0.00 0.00 175.10 172.24 1wfo n ARG 40 N 5.29 2.73 0.00 1.54 1.74 0.46 -4.61 116.66 123.82 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 -0.19 0.00 -0.01 0.55 -2.24 -1.26 -3.29 114.28 107.84 1wfo n THR 41 Ca 0.00 0.31 -0.08 0.00 -2.27 0.00 0.00 64.05 62.02 1wfo n THR 41 Cb 0.00 -0.70 0.11 0.00 -2.10 0.00 0.00 70.33 67.64 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 -0.30 1.86 -3.34 4.28 -2.24 -1.24 -4.37 114.28 108.93 1wfo n THR 42 Ca 0.00 -0.84 0.02 0.00 -2.27 0.00 0.00 64.05 60.96 1wfo n THR 42 Cb 0.00 -0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 67.53 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 -0.14 -0.82 0.28 3.42 1.04 -1.25 -1.19 113.70 115.04 1wfo s SER 43 Ca 0.26 0.83 0.06 0.00 0.48 0.00 0.00 55.95 57.59 1wfo s SER 43 Cb 0.22 1.81 -0.06 0.00 0.10 0.00 0.00 66.02 68.09 1wfo s SER 43 CO 0.06 -0.15 -0.04 0.68 0.98 0.00 0.00 173.24 174.76 1wfo s VAL 44 N 2.73 1.54 -0.18 5.02 -7.23 0.12 0.17 120.40 122.57 1wfo s VAL 44 Ca 0.02 -2.10 -0.05 0.00 -1.81 0.00 0.00 61.98 58.04 1wfo s VAL 44 Cb -0.10 -2.48 0.09 0.00 0.56 0.00 0.00 36.38 34.45 1wfo s VAL 44 CO -0.17 -0.27 0.33 -0.60 -0.31 0.00 0.00 175.10 174.09 1wfo s ARG 45 N -3.76 0.25 0.39 4.82 3.52 0.74 0.01 118.95 124.92 1wfo s ARG 45 Ca 0.30 0.76 0.08 0.00 -0.13 0.00 0.00 55.73 56.74 1wfo s ARG 45 Cb 0.05 -0.10 -0.07 0.00 -1.56 0.00 0.00 34.95 33.26 1wfo s ARG 45 CO 0.12 -0.37 -0.00 -0.48 -0.81 0.00 0.00 175.30 173.75 1wfo s LEU 46 N 2.50 2.87 0.08 -0.88 2.34 -1.22 -2.81 118.68 121.56 1wfo s LEU 46 Ca 0.03 -1.29 0.02 0.00 0.06 0.00 0.00 54.13 52.95 1wfo s LEU 46 Cb -0.13 -0.99 -0.04 0.00 -0.56 0.00 0.00 46.19 44.47 1wfo s LEU 46 CO -0.12 -0.39 -0.07 0.27 -1.06 0.00 0.00 176.35 174.98 1wfo s ILE 47 N -2.67 0.68 0.30 1.48 -0.00 -0.28 -2.26 121.20 118.45 1wfo s ILE 47 Ca 0.35 -1.69 -0.03 0.00 -0.00 0.00 0.00 60.65 59.28 1wfo s ILE 47 Cb 0.07 -1.38 -0.01 0.00 -0.00 0.00 0.00 42.46 41.14 1wfo s ILE 47 CO 0.18 -0.72 0.39 -1.66 -0.00 0.00 0.00 174.94 173.14 1wfo s TRP 48 N -2.94 1.02 0.18 1.37 -2.14 0.38 -1.92 118.94 114.88 1wfo s TRP 48 Ca 0.06 -1.24 0.03 0.00 2.66 0.00 0.00 56.10 57.61 1wfo s TRP 48 Cb 0.01 -0.18 -0.05 0.00 -3.10 0.00 0.00 33.47 30.15 1wfo s TRP 48 CO -0.03 -0.99 -0.03 -0.65 -2.66 0.00 0.00 176.95 172.59 1wfo s GLN 49 N -3.48 1.16 0.52 3.25 -0.21 -0.99 -4.67 119.66 115.24 1wfo s GLN 49 Ca 0.31 -1.55 -0.19 0.00 0.02 0.00 0.00 55.36 53.96 1wfo s GLN 49 Cb 0.01 -0.48 -0.07 0.00 1.00 0.00 0.00 33.01 33.47 1wfo s GLN 49 CO 0.17 -0.06 1.04 -1.25 -2.12 0.00 0.00 175.29 173.08 1wfo s PRO 50 N -3.85 3.65 -0.18 2.91 0.04 -1.26 -4.02 135.00 132.29 1wfo s PRO 50 Ca 0.23 1.29 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 1wfo s PRO 50 Cb 0.05 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1wfo s PRO 50 CO 0.04 -0.55 1.28 -1.25 0.04 0.00 0.00 177.00 176.57 1wfo s PRO 51 N -3.55 4.17 0.55 0.56 0.04 -1.26 -4.77 135.00 130.74 1wfo s PRO 51 Ca 0.66 1.61 0.49 0.00 0.04 0.00 0.00 61.00 63.80 1wfo s PRO 51 Cb -0.16 -3.79 1.72 0.00 0.04 0.00 0.00 34.50 32.31 1wfo s PRO 51 CO 0.26 -0.78 1.57 0.00 0.04 0.00 0.00 177.00 178.09 1wfo h ALA 52 N 8.45 3.79 -3.14 8.56 0.00 -1.94 -1.76 119.26 133.22 1wfo h ALA 52 Ca -0.27 -0.05 -0.65 0.00 0.00 0.00 0.00 54.91 53.94 1wfo h ALA 52 Cb 1.10 0.16 -0.40 0.00 0.00 0.00 0.00 17.79 18.66 1wfo h ALA 52 CO 0.98 -2.37 -0.48 0.00 0.00 0.00 0.00 179.25 177.39 1wfo s ALA 53 N -4.90 3.73 0.15 0.00 0.00 -1.26 -4.89 121.76 114.58 1wfo s ALA 53 Ca -0.05 -3.62 -0.03 0.00 0.00 0.00 0.00 51.96 48.26 1wfo s ALA 53 Cb 0.27 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 1wfo s ALA 53 CO 0.89 -2.09 1.36 -1.00 0.00 0.00 0.00 175.76 174.92 1wfo h PRO 54 N 6.01 0.39 -6.96 0.00 0.13 -1.70 -3.26 132.00 126.61 1wfo h PRO 54 Ca 0.07 -0.38 -0.60 0.00 -0.87 0.00 0.00 66.00 64.22 1wfo h PRO 54 Cb 0.83 0.10 -0.10 0.00 0.13 0.00 0.00 31.00 31.95 1wfo h PRO 54 CO 0.73 1.04 -0.99 0.09 -0.23 0.00 0.00 178.00 178.65 1wfo n ASN 55 N -3.77 -1.65 0.00 1.44 3.02 -1.26 -3.16 115.26 109.88 1wfo n ASN 55 Ca -0.05 -1.27 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 1wfo n ASN 55 Cb 0.78 -1.76 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 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 -2.30 3.95 3.67 7.41 0.00 -1.26 -3.72 105.19 112.94 1wfo n GLY 56 Ca -0.22 -0.58 -0.48 0.00 0.00 0.00 0.00 46.02 44.74 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 0.34 -2.12 -0.61 -0.00 -1.26 -4.86 119.36 110.85 1wfo n ILE 57 Ca 0.00 -0.06 -0.42 0.00 -0.00 0.00 0.00 62.75 62.27 1wfo n ILE 57 Cb 0.00 -1.66 -0.03 0.00 -0.00 0.00 0.00 39.64 37.95 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 2.82 3.30 -0.12 1.39 -1.09 -1.26 -4.43 121.20 121.81 1wfo s ILE 58 Ca 0.88 0.85 0.17 0.00 -2.23 0.00 0.00 60.65 60.32 1wfo s ILE 58 Cb -0.73 -3.54 -0.20 0.00 -1.58 0.00 0.00 42.46 36.40 1wfo s ILE 58 CO 0.48 0.03 0.57 0.18 -1.23 0.00 0.00 174.94 174.97 1wfo n LEU 59 N 4.64 0.56 0.00 2.97 4.32 0.53 -4.63 117.00 125.39 1wfo n LEU 59 Ca 0.13 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.37 1wfo n LEU 59 Cb 0.42 0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 1wfo n LEU 59 CO 0.60 0.26 0.00 0.00 -1.22 0.00 0.00 177.39 177.03 1wfo n ALA 60 N -2.50 0.00 -2.32 -1.18 0.00 -1.15 -3.70 120.51 109.66 1wfo n ALA 60 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 1wfo n ALA 60 Cb 0.93 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.29 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 1.12 -0.03 0.00 1.51 0.13 0.07 117.35 117.14 1wfo s TYR 61 Ca 0.00 -1.33 0.01 0.00 -1.01 0.00 0.00 57.07 54.74 1wfo s TYR 61 Cb 0.00 -0.48 0.02 0.00 -0.11 0.00 0.00 41.96 41.38 1wfo s TYR 61 CO 0.00 -0.70 -0.05 -1.14 -1.11 0.00 0.00 175.55 172.55 1wfo s GLN 62 N -4.08 0.73 -0.23 -0.62 0.74 0.13 0.20 119.66 116.54 1wfo s GLN 62 Ca 0.37 -0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.67 1wfo s GLN 62 Cb 0.06 -0.74 0.05 0.00 1.10 0.00 0.00 33.01 33.48 1wfo s GLN 62 CO 0.13 -0.04 -0.08 0.42 -0.55 0.00 0.00 175.29 175.18 1wfo s ILE 63 N 0.69 1.66 -0.14 -2.34 1.01 0.23 -0.56 121.20 121.75 1wfo s ILE 63 Ca -0.09 -1.21 -0.04 0.00 0.00 0.00 0.00 60.65 59.31 1wfo s ILE 63 Cb -0.12 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 1wfo s ILE 63 CO 0.00 0.00 -0.01 0.42 0.00 0.00 0.00 174.94 175.35 1wfo s THR 64 N 1.35 4.12 -0.02 2.92 -4.23 -0.19 -1.15 115.64 118.45 1wfo s THR 64 Ca -0.05 -0.28 0.05 0.00 -1.18 0.00 0.00 61.69 60.23 1wfo s THR 64 Cb -0.18 -2.80 -0.01 0.00 1.34 0.00 0.00 72.50 70.85 1wfo s THR 64 CO -0.07 0.51 -0.16 -1.38 -0.54 0.00 0.00 174.62 172.99 1wfo s HIS 65 N 0.09 1.46 0.02 3.99 -3.43 -1.07 -0.33 115.29 116.02 1wfo s HIS 65 Ca 0.01 -0.31 -0.28 0.00 -0.80 0.00 0.00 55.06 53.68 1wfo s HIS 65 Cb -0.13 -0.95 0.08 0.00 -1.43 0.00 0.00 32.58 30.15 1wfo s HIS 65 CO 0.02 -0.05 0.71 -0.98 -2.00 0.00 0.00 174.74 172.44 1wfo s ARG 66 N -0.28 1.06 -0.43 -0.38 1.70 -1.18 -0.85 118.95 118.59 1wfo s ARG 66 Ca 0.04 -0.07 -0.28 0.00 -0.47 0.00 0.00 55.73 54.95 1wfo s ARG 66 Cb -0.07 0.50 -0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1wfo s ARG 66 CO -0.00 -0.40 1.57 -0.51 -1.08 0.00 0.00 175.30 174.88 1wfo s LEU 67 N -1.87 3.50 0.54 -1.89 1.43 -1.26 -1.15 118.68 117.99 1wfo s LEU 67 Ca -0.04 0.83 0.38 0.00 -1.03 0.00 0.00 54.13 54.27 1wfo s LEU 67 Cb -0.01 -3.35 1.57 0.00 0.03 0.00 0.00 46.19 44.44 1wfo s LEU 67 CO -0.01 -1.66 1.78 -1.13 0.23 0.00 0.00 176.35 175.57 1wfo h ASN 68 N 11.84 0.00 -2.58 2.29 -1.24 0.13 -3.35 115.58 122.67 1wfo h ASN 68 Ca -0.29 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.52 1wfo h ASN 68 Cb 1.13 0.00 -0.32 0.00 0.73 0.00 0.00 38.32 39.86 1wfo h ASN 68 CO 1.10 0.00 -0.51 0.42 -1.29 0.00 0.00 177.43 177.15 1wfo s THR 69 N -4.94 -0.48 0.00 -3.57 -4.23 -1.26 -5.07 115.64 96.09 1wfo s THR 69 Ca -0.05 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1wfo s THR 69 Cb 0.23 -0.58 0.00 0.00 1.34 0.00 0.00 72.50 73.49 1wfo s THR 69 CO 0.82 0.02 0.00 1.07 -0.54 0.00 0.00 174.62 175.99 1wfo n THR 70 N 5.36 0.00 -3.91 3.99 5.66 -1.26 -4.81 114.28 119.31 1wfo n THR 70 Ca -0.06 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.57 1wfo n THR 70 Cb 0.50 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.21 1wfo n THR 70 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wfo s THR 71 N -1.37 5.44 0.11 1.09 -4.23 -1.26 -4.97 115.64 110.45 1wfo s THR 71 Ca 0.00 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 1wfo s THR 71 Cb 0.00 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1wfo s THR 71 CO 0.00 0.62 0.00 0.00 -0.54 0.00 0.00 174.62 174.70 1wfo n ALA 72 N 2.00 -1.26 -3.53 3.99 0.00 -1.26 -4.84 120.51 115.62 1wfo n ALA 72 Ca -0.20 0.15 -0.29 0.00 0.00 0.00 0.00 53.44 53.10 1wfo n ALA 72 Cb 0.55 -0.44 -0.14 0.00 0.00 0.00 0.00 19.45 19.42 1wfo n ALA 72 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wfo s ASN 73 N -3.76 3.39 -0.13 0.00 2.47 -1.26 -5.07 114.94 110.57 1wfo s ASN 73 Ca 0.00 -1.61 -0.14 0.00 0.42 0.00 0.00 52.86 51.53 1wfo s ASN 73 Cb 0.00 -0.40 0.04 0.00 -1.45 0.00 0.00 41.25 39.43 1wfo s ASN 73 CO 0.00 -0.39 0.38 0.42 -3.72 0.00 0.00 177.10 173.78 1wfo s THR 74 N 1.72 0.00 -0.05 -5.21 -4.23 -1.26 -5.16 115.64 101.46 1wfo s THR 74 Ca 0.12 -0.04 0.03 0.00 -1.18 0.00 0.00 61.69 60.62 1wfo s THR 74 Cb -0.18 -0.55 0.01 0.00 1.34 0.00 0.00 72.50 73.12 1wfo s THR 74 CO -0.24 -0.02 -0.12 0.00 -0.54 0.00 0.00 174.62 173.70 1wfo s ALA 75 N 0.07 1.22 -0.78 3.99 0.00 -1.26 -4.58 121.76 120.41 1wfo s ALA 75 Ca -0.01 -0.44 -0.25 0.00 0.00 0.00 0.00 51.96 51.26 1wfo s ALA 75 Cb -0.03 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 22.63 1wfo s ALA 75 CO 0.01 0.15 1.23 0.99 0.00 0.00 0.00 175.76 178.13 1wfo s THR 76 N 0.47 3.95 0.08 0.00 2.01 -0.03 -4.84 115.64 117.29 1wfo s THR 76 Ca -0.11 -0.08 -0.27 0.00 0.31 0.00 0.00 61.69 61.54 1wfo s THR 76 Cb -0.14 -4.88 -0.06 0.00 0.01 0.00 0.00 72.50 67.43 1wfo s THR 76 CO 0.03 -1.76 0.84 -0.69 -0.69 0.00 0.00 174.62 172.35 1wfo s VAL 77 N 5.04 4.61 -0.02 3.82 1.01 -1.26 -2.61 120.40 130.99 1wfo s VAL 77 Ca 0.34 1.81 0.02 0.00 0.00 0.00 0.00 61.98 64.15 1wfo s VAL 77 Cb -0.09 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1wfo s VAL 77 CO 0.08 0.36 -0.06 -0.70 0.00 0.00 0.00 175.10 174.79 1wfo s GLU 78 N -0.12 0.60 -0.12 2.72 2.12 -0.30 -4.97 118.70 118.63 1wfo s GLU 78 Ca 0.42 -0.18 -0.14 0.00 0.36 0.00 0.00 54.97 55.43 1wfo s GLU 78 Cb -0.22 -0.60 -0.05 0.00 0.26 0.00 0.00 34.13 33.52 1wfo s GLU 78 CO 0.26 0.06 0.33 0.08 -0.54 0.00 0.00 175.26 175.45 1wfo s VAL 79 N 0.22 5.25 0.44 3.70 1.01 -1.26 0.75 120.40 130.50 1wfo s VAL 79 Ca -0.03 0.64 0.06 0.00 0.00 0.00 0.00 61.98 62.66 1wfo s VAL 79 Cb -0.07 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1wfo s VAL 79 CO -0.00 0.44 0.08 -0.76 0.00 0.00 0.00 175.10 174.86 1wfo s LEU 80 N 0.04 2.83 0.75 3.92 1.43 0.53 -4.92 118.68 123.26 1wfo s LEU 80 Ca 0.19 -1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 51.85 1wfo s LEU 80 Cb -0.14 -1.05 0.04 0.00 0.03 0.00 0.00 46.19 45.07 1wfo s LEU 80 CO 0.07 -0.60 1.11 0.00 0.23 0.00 0.00 176.35 177.16 1wfo s ALA 81 N -2.71 2.68 -2.00 4.21 0.00 -1.26 0.19 121.76 122.86 1wfo s ALA 81 Ca 0.31 -0.37 0.24 0.00 0.00 0.00 0.00 51.96 52.14 1wfo s ALA 81 Cb 0.06 -3.03 1.41 0.00 0.00 0.00 0.00 23.12 21.55 1wfo s ALA 81 CO 0.17 -1.39 1.78 -0.35 0.00 0.00 0.00 175.76 175.96 1wfo n PRO 82 N -3.18 0.75 -1.27 0.00 -0.04 -1.24 -2.58 135.00 127.44 1wfo n PRO 82 Ca 0.07 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.47 1wfo n PRO 82 Cb 0.58 -1.49 0.12 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 -0.99 2.94 -4.59 3.54 3.41 -1.26 -4.88 113.62 111.79 1wfo n SER 83 Ca 0.18 -3.71 -0.37 0.00 -0.26 0.00 0.00 58.87 54.71 1wfo n SER 83 Cb 0.08 -0.44 -0.11 0.00 -0.26 0.00 0.00 64.21 63.48 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 -3.26 3.49 -0.08 7.33 0.00 -1.07 -4.93 121.76 123.23 1wfo s ALA 84 Ca 0.43 -1.01 0.18 0.00 0.00 0.00 0.00 51.96 51.55 1wfo s ALA 84 Cb 0.39 -2.33 -0.26 0.00 0.00 0.00 0.00 23.12 20.91 1wfo s ALA 84 CO -0.03 -0.38 0.28 0.54 0.00 0.00 0.00 175.76 176.17 1wfo n ARG 85 N 4.69 0.79 -3.95 0.00 5.12 -1.26 -4.90 116.66 117.15 1wfo n ARG 85 Ca -0.15 -0.11 -0.09 0.00 -1.93 0.00 0.00 57.85 55.57 1wfo n ARG 85 Cb 0.52 -1.45 -0.08 0.00 -1.16 0.00 0.00 32.46 30.29 1wfo n ARG 85 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1wfo s GLN 86 N -2.97 1.00 -0.14 5.56 -2.07 -1.26 0.14 119.66 119.92 1wfo s GLN 86 Ca -0.08 -1.14 -0.07 0.00 -1.82 0.00 0.00 55.36 52.26 1wfo s GLN 86 Cb 0.09 0.34 0.06 0.00 -1.09 0.00 0.00 33.01 32.42 1wfo s GLN 86 CO 0.76 -0.34 0.33 -0.47 -1.32 0.00 0.00 175.29 174.25 1wfo s TYR 87 N -3.94 -0.51 -0.09 9.60 6.14 -0.96 -5.01 117.35 122.59 1wfo s TYR 87 Ca 0.13 1.09 -0.26 0.00 0.64 0.00 0.00 57.07 58.68 1wfo s TYR 87 Cb 0.04 0.14 -0.03 0.00 0.42 0.00 0.00 41.96 42.54 1wfo s TYR 87 CO -0.04 -0.33 0.83 0.99 0.64 0.00 0.00 175.55 177.64 1wfo s THR 88 N 1.76 4.93 -0.29 4.34 2.01 -1.26 -3.40 115.64 123.72 1wfo s THR 88 Ca -0.06 1.69 -0.07 0.00 0.31 0.00 0.00 61.69 63.56 1wfo s THR 88 Cb -0.10 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.25 1wfo s THR 88 CO -0.10 0.13 0.09 0.00 -0.69 0.00 0.00 174.62 174.04 1wfo s ALA 89 N 1.42 3.09 0.19 7.40 0.00 0.10 -4.98 121.76 128.98 1wfo s ALA 89 Ca 0.42 -1.43 0.10 0.00 0.00 0.00 0.00 51.96 51.05 1wfo s ALA 89 Cb -0.18 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1wfo s ALA 89 CO 0.18 -0.89 -0.15 0.95 0.00 0.00 0.00 175.76 175.85 1wfo s THR 90 N 1.52 2.86 -0.05 0.00 -4.23 -1.26 0.16 115.64 114.64 1wfo s THR 90 Ca 0.03 -1.85 -0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1wfo s THR 90 Cb -0.17 -2.41 -0.00 0.00 1.34 0.00 0.00 72.50 71.26 1wfo s THR 90 CO 0.03 -0.14 0.04 0.61 -0.54 0.00 0.00 174.62 174.62 1wfo n GLY 91 N 0.05 0.44 3.49 3.99 0.00 -0.33 -4.96 105.19 107.87 1wfo n GLY 91 Ca -0.11 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.24 2.69 -0.06 0.99 1.43 -1.23 -5.03 118.68 115.23 1wfo s LEU 92 Ca 0.00 -0.73 -0.25 0.00 -1.03 0.00 0.00 54.13 52.12 1wfo s LEU 92 Cb -0.00 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 1wfo s LEU 92 CO 0.03 0.11 0.77 -0.75 0.23 0.00 0.00 176.35 176.74 1wfo s LYS 93 N -2.76 4.45 0.59 1.70 2.20 -1.26 -3.74 119.74 120.92 1wfo s LYS 93 Ca 0.23 1.00 -0.15 0.00 -0.36 0.00 0.00 55.97 56.68 1wfo s LYS 93 Cb -0.08 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1wfo s LYS 93 CO 0.12 0.01 1.05 -1.25 -0.36 0.00 0.00 175.35 174.93 1wfo s PRO 94 N 0.94 3.37 -0.91 4.03 0.04 -1.26 -3.91 135.00 137.31 1wfo s PRO 94 Ca 0.41 1.15 -0.04 0.00 0.04 0.00 0.00 61.00 62.56 1wfo s PRO 94 Cb -0.18 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1wfo s PRO 94 CO 0.20 -0.76 0.78 0.39 0.04 0.00 0.00 177.00 177.64 1wfo n GLU 95 N -2.05 -5.21 -1.75 4.56 -0.58 0.22 -4.96 120.64 110.87 1wfo n GLU 95 Ca 0.08 0.59 0.00 0.00 -0.42 0.00 0.00 57.16 57.41 1wfo n GLU 95 Cb 0.53 -4.87 0.00 0.00 -0.57 0.00 0.00 31.44 26.53 1wfo n GLU 95 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wfo n SER 96 N -2.02 0.00 -3.68 1.62 2.88 -1.25 -4.96 113.62 106.20 1wfo n SER 96 Ca -0.08 -0.91 -0.29 0.00 -1.33 0.00 0.00 58.87 56.26 1wfo n SER 96 Cb 0.57 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.88 1wfo n SER 96 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1wfo s VAL 97 N -1.99 0.51 -0.20 2.46 1.01 -1.26 -2.77 120.40 118.15 1wfo s VAL 97 Ca 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 1wfo s VAL 97 Cb 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1wfo s VAL 97 CO 0.00 -0.53 0.32 -0.31 0.00 0.00 0.00 175.10 174.58 1wfo s TYR 98 N 1.83 3.39 -0.23 5.22 1.51 -0.29 0.17 117.35 128.94 1wfo s TYR 98 Ca 0.06 0.53 -0.18 0.00 -1.01 0.00 0.00 57.07 56.47 1wfo s TYR 98 Cb -0.17 -2.42 -0.03 0.00 -0.11 0.00 0.00 41.96 39.23 1wfo s TYR 98 CO -0.22 0.07 0.51 -1.17 -1.11 0.00 0.00 175.55 173.63 1wfo s LEU 99 N 1.02 4.10 -0.36 -1.29 1.98 -0.30 -0.28 118.68 123.57 1wfo s LEU 99 Ca 0.16 0.60 -0.12 0.00 -2.89 0.00 0.00 54.13 51.87 1wfo s LEU 99 Cb -0.14 -2.67 0.00 0.00 0.66 0.00 0.00 46.19 44.04 1wfo s LEU 99 CO 0.06 -0.22 0.23 -0.36 -1.89 0.00 0.00 176.35 174.17 1wfo s PHE 100 N 1.91 3.22 -0.37 5.38 0.40 0.50 -3.12 117.98 125.91 1wfo s PHE 100 Ca 0.22 -0.54 -0.12 0.00 -0.60 0.00 0.00 56.93 55.90 1wfo s PHE 100 Cb -0.15 -2.47 0.01 0.00 0.51 0.00 0.00 43.02 40.92 1wfo s PHE 100 CO 0.09 -0.49 0.23 0.50 0.70 0.00 0.00 175.22 176.24 1wfo s ARG 101 N 1.65 3.04 -0.12 0.44 3.52 0.56 0.30 118.95 128.34 1wfo s ARG 101 Ca 0.05 -0.94 -0.07 0.00 -0.13 0.00 0.00 55.73 54.63 1wfo s ARG 101 Cb -0.18 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.39 1wfo s ARG 101 CO 0.09 -0.63 0.15 0.42 -0.81 0.00 0.00 175.30 174.51 1wfo s ILE 102 N 1.62 5.49 0.13 4.11 1.01 0.63 -1.02 121.20 133.16 1wfo s ILE 102 Ca 0.04 0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.81 1wfo s ILE 102 Cb -0.19 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1wfo s ILE 102 CO 0.08 0.61 0.27 -0.89 0.00 0.00 0.00 174.94 175.00 1wfo s THR 103 N -0.93 0.10 0.21 2.92 2.01 0.28 -0.22 115.64 120.01 1wfo s THR 103 Ca 0.15 -1.15 0.11 0.00 0.31 0.00 0.00 61.69 61.11 1wfo s THR 103 Cb -0.12 -1.50 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 1wfo s THR 103 CO 0.04 -0.46 -0.23 0.00 -0.69 0.00 0.00 174.62 173.28 1wfo s ALA 104 N -3.89 2.56 -0.12 7.40 0.00 -1.26 0.19 121.76 126.64 1wfo s ALA 104 Ca 0.09 -1.68 0.03 0.00 0.00 0.00 0.00 51.96 50.40 1wfo s ALA 104 Cb 0.04 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1wfo s ALA 104 CO -0.07 0.40 -0.21 -1.14 0.00 0.00 0.00 175.76 174.74 1wfo s GLN 105 N -2.82 2.86 0.01 0.00 0.74 0.11 -3.10 119.66 117.46 1wfo s GLN 105 Ca 0.22 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 54.83 1wfo s GLN 105 Cb -0.07 -2.29 -0.00 0.00 1.10 0.00 0.00 33.01 31.75 1wfo s GLN 105 CO 0.11 0.02 0.00 0.25 -0.55 0.00 0.00 175.29 175.12 1wfo n THR 106 N 3.96 0.00 1.49 -0.34 -2.24 -0.80 0.20 114.28 116.55 1wfo n THR 106 Ca -0.20 -0.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.66 1wfo n THR 106 Cb 0.52 0.01 0.73 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.03 0.65 -0.10 -0.78 1.85 -1.26 -3.18 116.66 113.81 1wfo n ARG 107 Ca -0.00 0.02 -0.16 0.00 -1.00 0.00 0.00 57.85 56.70 1wfo n ARG 107 Cb 0.02 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 29.84 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 -1.11 0.46 -3.22 2.89 4.76 -1.26 -5.05 118.16 115.62 1wfo n LYS 108 Ca 0.17 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 1wfo n LYS 108 Cb 0.13 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1wfo n LYS 108 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wfo n GLY 109 N 2.28 -0.45 3.62 0.72 0.00 -1.19 -4.99 105.19 105.18 1wfo n GLY 109 Ca -0.36 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.93 3.26 0.00 1.61 0.52 -1.26 -1.89 118.94 118.25 1wfo s TRP 110 Ca 0.00 0.76 0.00 0.00 0.02 0.00 0.00 56.10 56.88 1wfo s TRP 110 Cb 0.00 -2.88 0.00 0.00 -1.15 0.00 0.00 33.47 29.44 1wfo s TRP 110 CO 0.00 -0.36 0.00 0.41 0.02 0.00 0.00 176.95 177.02 1wfo n GLY 111 N 4.22 0.53 3.20 0.98 0.00 -1.18 -4.99 105.19 107.96 1wfo n GLY 111 Ca -0.01 -1.53 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.33 -3.74 1.61 4.71 -1.11 -4.79 120.64 114.99 1wfo n GLU 112 Ca 0.00 -0.68 -0.14 0.00 -0.01 0.00 0.00 57.16 56.33 1wfo n GLU 112 Cb 0.00 -1.69 -0.15 0.00 -1.01 0.00 0.00 31.44 28.59 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 -2.18 -0.18 -0.28 0.62 0.00 -1.26 -4.36 121.76 114.13 1wfo s ALA 113 Ca 0.52 0.59 -0.19 0.00 0.00 0.00 0.00 51.96 52.88 1wfo s ALA 113 Cb -0.11 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1wfo s ALA 113 CO 0.55 -0.19 0.56 0.00 0.00 0.00 0.00 175.76 176.67 1wfo s ALA 114 N 1.28 3.57 -0.21 0.00 0.00 0.69 -4.84 121.76 122.25 1wfo s ALA 114 Ca -0.08 -0.63 -0.13 0.00 0.00 0.00 0.00 51.96 51.13 1wfo s ALA 114 Cb -0.12 -2.97 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 1wfo s ALA 114 CO -0.05 -0.87 0.25 -1.21 0.00 0.00 0.00 175.76 173.87 1wfo s GLU 115 N 2.42 4.14 -0.08 0.00 2.02 -1.26 -0.27 118.70 125.68 1wfo s GLU 115 Ca 0.23 -0.06 -0.00 0.00 0.02 0.00 0.00 54.97 55.15 1wfo s GLU 115 Cb -0.15 -3.51 0.03 0.00 0.10 0.00 0.00 34.13 30.59 1wfo s GLU 115 CO 0.10 0.08 -0.03 0.00 0.02 0.00 0.00 175.26 175.43 1wfo s ALA 116 N 0.97 0.89 0.02 5.21 0.00 0.15 -4.93 121.76 124.07 1wfo s ALA 116 Ca 0.12 -0.24 -0.17 0.00 0.00 0.00 0.00 51.96 51.68 1wfo s ALA 116 Cb -0.13 -0.72 -0.06 0.00 0.00 0.00 0.00 23.12 22.21 1wfo s ALA 116 CO 0.05 -0.34 0.48 -0.51 0.00 0.00 0.00 175.76 175.44 1wfo s LEU 117 N 1.64 4.48 -0.09 0.00 1.43 -1.26 0.19 118.68 125.07 1wfo s LEU 117 Ca 0.01 1.08 -0.04 0.00 -1.03 0.00 0.00 54.13 54.15 1wfo s LEU 117 Cb -0.13 -2.73 0.05 0.00 0.03 0.00 0.00 46.19 43.41 1wfo s LEU 117 CO -0.05 0.28 0.19 0.54 0.23 0.00 0.00 176.35 177.54 1wfo s VAL 118 N -0.96 -0.19 0.26 -1.59 0.11 0.62 -4.95 120.40 113.70 1wfo s VAL 118 Ca 0.26 0.25 -0.17 0.00 -2.93 0.00 0.00 61.98 59.40 1wfo s VAL 118 Cb -0.18 -0.32 -0.08 0.00 -1.53 0.00 0.00 36.38 34.26 1wfo s VAL 118 CO 0.16 0.11 0.71 -0.69 -3.33 0.00 0.00 175.10 172.05 1wfo s VAL 119 N 1.82 4.65 -0.31 2.04 1.01 -1.26 -1.14 120.40 127.21 1wfo s VAL 119 Ca -0.03 1.08 -0.15 0.00 0.00 0.00 0.00 61.98 62.88 1wfo s VAL 119 Cb -0.12 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1wfo s VAL 119 CO -0.07 0.04 0.35 0.42 0.00 0.00 0.00 175.10 175.84 1wfo s THR 120 N -1.72 5.18 -0.01 3.92 -4.23 -1.12 -4.88 115.64 112.78 1wfo s THR 120 Ca 0.47 0.24 -0.30 0.00 -1.18 0.00 0.00 61.69 60.92 1wfo s THR 120 Cb -0.14 -3.76 0.12 0.00 1.34 0.00 0.00 72.50 70.07 1wfo s THR 120 CO 0.19 0.02 1.28 0.28 -0.54 0.00 0.00 174.62 175.85 1wfo s THR 121 N 2.02 0.00 -0.13 3.99 -1.32 -1.21 0.72 115.64 119.72 1wfo s THR 121 Ca 0.13 -0.23 0.22 0.00 -1.21 0.00 0.00 61.69 60.60 1wfo s THR 121 Cb -0.16 -1.98 -0.20 0.00 -1.51 0.00 0.00 72.50 68.65 1wfo s THR 121 CO 0.11 0.00 0.72 -0.62 -2.21 0.00 0.00 174.62 172.62 1wfo n GLU 122 N -0.48 0.63 -2.99 7.08 1.02 -1.26 -4.24 120.64 120.39 1wfo n GLU 122 Ca -0.08 -0.06 -0.38 0.00 -0.02 0.00 0.00 57.16 56.61 1wfo n GLU 122 Cb 0.63 -1.65 -0.06 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 -3.45 4.48 0.49 3.49 1.02 -1.26 -5.00 119.74 119.50 1wfo s LYS 123 Ca -0.05 1.09 -0.21 0.00 0.02 0.00 0.00 55.97 56.83 1wfo s LYS 123 Cb 0.12 -3.08 -0.11 0.00 -0.52 0.00 0.00 37.83 34.24 1wfo s LYS 123 CO 0.86 0.48 0.59 -2.13 -0.92 0.00 0.00 175.35 174.23 1wfo n ARG 124 N 1.18 0.63 -3.64 1.68 0.63 -1.26 -5.00 116.66 110.89 1wfo n ARG 124 Ca -0.04 0.24 -0.02 0.00 -0.92 0.00 0.00 57.85 57.11 1wfo n ARG 124 Cb 0.50 -1.66 -0.07 0.00 0.45 0.00 0.00 32.46 31.68 1wfo n ARG 124 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1wfo s SER 125 N -1.02 -0.45 0.00 6.15 0.15 -1.26 -5.12 113.70 112.15 1wfo s SER 125 Ca 0.66 0.73 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1wfo s SER 125 Cb -0.52 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1wfo s SER 125 CO 0.56 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.50 1wfo n GLY 126 N 3.53 1.84 3.78 9.45 0.00 -1.26 -4.97 105.19 117.57 1wfo n GLY 126 Ca -0.18 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.60 0.89 0.02 1.61 0.04 -1.26 -5.09 135.00 130.61 1wfo s PRO 127 Ca 0.00 0.19 0.01 0.00 0.04 0.00 0.00 61.00 61.24 1wfo s PRO 127 Cb 0.00 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 1wfo s PRO 127 CO 0.00 -2.35 -0.04 -1.12 0.04 0.00 0.00 177.00 173.53 1wfo s SER 128 N -4.10 0.43 0.07 6.66 0.01 -1.26 -5.16 113.70 110.35 1wfo s SER 128 Ca 0.65 -0.30 -0.11 0.00 1.31 0.00 0.00 55.95 57.51 1wfo s SER 128 Cb -0.13 0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.12 1wfo s SER 128 CO 0.53 -0.12 0.24 -0.55 0.41 0.00 0.00 173.24 173.76 1wfo s SER 129 N -0.82 0.01 0.00 2.44 0.15 -1.26 -5.35 113.70 108.87 1wfo s SER 129 Ca -0.06 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1wfo s SER 129 Cb -0.06 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1wfo s SER 129 CO -0.00 -0.68 0.18 0.61 1.20 0.00 0.00 173.24 174.55