#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wln n SER 2 N 0.00 3.12 -3.62 1.61 3.41 -1.26 -4.96 113.62 111.92 1wln n SER 2 Ca 0.00 1.09 -0.29 0.00 -0.26 0.00 0.00 58.87 59.40 1wln n SER 2 Cb 0.00 -1.43 -0.14 0.00 -0.26 0.00 0.00 64.21 62.38 1wln n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wln s SER 3 N 0.89 3.60 0.65 4.04 1.04 -1.26 -5.12 113.70 117.53 1wln s SER 3 Ca 0.78 -1.90 -0.17 0.00 0.48 0.00 0.00 55.95 55.14 1wln s SER 3 Cb -0.67 -0.68 -0.04 0.00 0.10 0.00 0.00 66.02 64.73 1wln s SER 3 CO 0.38 -0.36 0.74 0.61 0.98 0.00 0.00 173.24 175.59 1wln n GLY 4 N 4.47 -0.96 3.64 7.32 0.00 -1.26 -5.02 105.19 113.38 1wln n GLY 4 Ca 0.03 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 1wln n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wln s SER 5 N -1.37 -0.69 -0.87 1.61 0.01 -1.26 -5.10 113.70 106.03 1wln s SER 5 Ca 0.71 1.22 -0.15 0.00 1.31 0.00 0.00 55.95 59.04 1wln s SER 5 Cb -0.39 1.26 0.21 0.00 0.21 0.00 0.00 66.02 67.30 1wln s SER 5 CO 0.52 -0.20 0.87 -0.44 0.41 0.00 0.00 173.24 174.40 1wln s SER 6 N 0.89 6.79 -0.33 2.44 0.01 -1.26 -4.95 113.70 117.29 1wln s SER 6 Ca -0.04 -2.65 -0.02 0.00 1.31 0.00 0.00 55.95 54.56 1wln s SER 6 Cb -0.05 -2.25 0.12 0.00 0.21 0.00 0.00 66.02 64.05 1wln s SER 6 CO -0.10 -0.64 0.16 -0.83 0.41 0.00 0.00 173.24 172.24 1wln s GLY 7 N 2.37 0.80 0.03 3.44 0.00 -1.26 -4.99 107.32 107.72 1wln s GLY 7 Ca 0.22 -1.57 -0.18 0.00 0.00 0.00 0.00 44.72 43.18 1wln s GLY 7 CO -0.09 1.96 1.16 -0.56 0.00 0.00 0.00 173.10 175.57 1wln h PRO 8 N 7.74 0.49 -3.17 2.90 0.13 -1.95 -3.26 132.00 134.88 1wln h PRO 8 Ca -0.09 -0.47 -0.43 0.00 -0.87 0.00 0.00 66.00 64.14 1wln h PRO 8 Cb 0.99 0.12 0.01 0.00 0.13 0.00 0.00 31.00 32.25 1wln h PRO 8 CO 0.39 1.11 2.66 -0.85 -0.23 0.00 0.00 178.00 181.08 1wln n GLU 9 N -4.18 2.48 0.00 0.86 0.28 -1.26 -2.37 120.64 116.45 1wln n GLU 9 Ca -0.10 -1.59 0.00 0.00 -0.16 0.00 0.00 57.16 55.32 1wln n GLU 9 Cb 0.67 -2.48 0.00 0.00 1.43 0.00 0.00 31.44 31.06 1wln n GLU 9 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1wln n LYS 10 N 3.84 0.00 -1.88 3.44 4.81 -1.25 -4.83 118.16 122.29 1wln n LYS 10 Ca 0.53 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.63 1wln n LYS 10 Cb 0.22 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.31 1wln n LYS 10 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1wln s LEU 11 N -1.68 3.51 0.16 3.14 0.05 -1.00 -1.53 118.68 121.32 1wln s LEU 11 Ca 0.00 2.13 -0.30 0.00 0.05 0.00 0.00 54.13 56.01 1wln s LEU 11 Cb 0.00 -4.57 -0.07 0.00 -2.05 0.00 0.00 46.19 39.50 1wln s LEU 11 CO 0.00 -1.59 1.12 -2.16 -0.55 0.00 0.00 176.35 173.17 1wln s PRO 12 N -3.77 4.56 0.34 1.48 0.04 -1.26 -4.36 135.00 132.03 1wln s PRO 12 Ca 0.71 1.74 0.05 0.00 0.04 0.00 0.00 61.00 63.54 1wln s PRO 12 Cb -0.24 -3.28 -0.07 0.00 0.04 0.00 0.00 34.50 30.96 1wln s PRO 12 CO 0.37 0.01 0.02 1.52 0.04 0.00 0.00 177.00 178.96 1wln s TYR 13 N -0.05 2.12 -0.25 0.56 -0.85 -1.05 0.19 117.35 118.02 1wln s TYR 13 Ca 0.51 -0.82 0.02 0.00 -0.52 0.00 0.00 57.07 56.26 1wln s TYR 13 Cb -0.30 -1.39 0.05 0.00 0.38 0.00 0.00 41.96 40.70 1wln s TYR 13 CO 0.34 0.19 -0.12 -0.51 -1.52 0.00 0.00 175.55 173.94 1wln s LEU 14 N -3.54 3.21 -0.50 -3.49 1.43 0.11 -2.09 118.68 113.81 1wln s LEU 14 Ca 0.35 -1.22 -0.18 0.00 -1.03 0.00 0.00 54.13 52.05 1wln s LEU 14 Cb 0.08 -1.55 0.06 0.00 0.03 0.00 0.00 46.19 44.81 1wln s LEU 14 CO 0.16 -0.15 0.54 0.54 0.23 0.00 0.00 176.35 177.66 1wln s VAL 15 N 1.16 5.01 0.25 -1.59 0.11 -0.56 0.20 120.40 124.97 1wln s VAL 15 Ca -0.06 -0.72 -0.29 0.00 -2.93 0.00 0.00 61.98 57.99 1wln s VAL 15 Cb -0.18 -4.24 -0.15 0.00 -1.53 0.00 0.00 36.38 30.28 1wln s VAL 15 CO -0.06 -0.73 1.00 1.21 -3.33 0.00 0.00 175.10 173.19 1wln n GLU 16 N 5.82 1.15 -4.52 1.54 2.13 0.41 -0.28 120.64 126.89 1wln n GLU 16 Ca -0.09 0.41 -0.25 0.00 0.66 0.00 0.00 57.16 57.89 1wln n GLU 16 Cb 0.45 -1.77 -0.10 0.00 0.27 0.00 0.00 31.44 30.28 1wln n GLU 16 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1wln s LEU 17 N 0.78 2.67 1.29 4.31 1.43 0.29 -4.43 118.68 125.01 1wln s LEU 17 Ca 0.63 -1.21 -0.18 0.00 -1.03 0.00 0.00 54.13 52.33 1wln s LEU 17 Cb -0.77 -0.89 0.30 0.00 0.03 0.00 0.00 46.19 44.87 1wln s LEU 17 CO 0.57 -0.27 0.76 -1.20 0.23 0.00 0.00 176.35 176.45 1wln n SER 18 N -0.75 -3.03 0.00 2.29 7.64 -0.96 -4.30 113.62 114.51 1wln n SER 18 Ca -0.05 -0.50 0.12 0.00 1.01 0.00 0.00 58.87 59.45 1wln n SER 18 Cb 0.64 -1.06 0.64 0.00 -1.01 0.00 0.00 64.21 63.41 1wln n SER 18 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1wln n PRO 19 N -4.67 0.52 -0.00 1.43 -0.04 -1.26 -2.19 135.00 128.79 1wln n PRO 19 Ca 0.07 0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.60 1wln n PRO 19 Cb 0.55 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 1wln n PRO 19 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wln n ASP 20 N -1.15 1.67 -0.17 3.54 -0.08 -1.26 -5.01 116.55 114.09 1wln n ASP 20 Ca 0.14 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 53.05 1wln n ASP 20 Cb 0.14 1.16 0.00 0.00 2.34 0.00 0.00 41.12 44.75 1wln n ASP 20 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wln n GLY 21 N 1.58 1.05 3.44 0.27 0.00 -0.93 -5.10 105.19 105.50 1wln n GLY 21 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 1wln n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wln s SER 22 N -2.46 3.01 -0.63 1.61 0.15 -1.26 -4.86 113.70 109.27 1wln s SER 22 Ca 0.00 -1.14 -0.19 0.00 0.70 0.00 0.00 55.95 55.32 1wln s SER 22 Cb 0.00 -0.21 0.11 0.00 -1.71 0.00 0.00 66.02 64.21 1wln s SER 22 CO 0.00 -0.24 0.75 1.51 1.20 0.00 0.00 173.24 176.46 1wln s ASP 23 N -3.46 6.24 1.43 5.45 1.47 -1.26 -2.27 116.67 124.27 1wln s ASP 23 Ca 0.29 -1.50 -0.22 0.00 1.18 0.00 0.00 52.55 52.30 1wln s ASP 23 Cb 0.02 -2.31 0.37 0.00 -0.34 0.00 0.00 42.92 40.65 1wln s ASP 23 CO 0.12 -1.11 0.90 -1.20 0.68 0.00 0.00 175.17 174.56 1wln n SER 24 N 6.34 -3.70 -2.54 2.11 7.64 -1.26 -4.82 113.62 117.38 1wln n SER 24 Ca -0.06 -0.73 -0.25 0.00 1.01 0.00 0.00 58.87 58.84 1wln n SER 24 Cb 0.43 -1.06 -0.09 0.00 -1.01 0.00 0.00 64.21 62.49 1wln n SER 24 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wln n ARG 25 N -5.67 2.70 -3.83 1.43 1.74 -1.26 -4.82 116.66 106.96 1wln n ARG 25 Ca 0.11 -2.04 -0.09 0.00 -0.77 0.00 0.00 57.85 55.06 1wln n ARG 25 Cb 0.59 -2.23 0.01 0.00 -1.02 0.00 0.00 32.46 29.82 1wln n ARG 25 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wln s ASP 26 N 1.08 -0.00 -0.37 0.55 1.01 -1.26 -5.13 116.67 112.55 1wln s ASP 26 Ca 0.62 -1.08 -0.18 0.00 0.71 0.00 0.00 52.55 52.62 1wln s ASP 26 Cb 0.32 0.83 0.00 0.00 1.01 0.00 0.00 42.92 45.07 1wln s ASP 26 CO -0.12 -1.63 0.50 -1.59 0.21 0.00 0.00 175.17 172.55 1wln s LYS 27 N -2.58 3.52 0.57 8.23 -2.85 -1.26 -5.05 119.74 120.33 1wln s LYS 27 Ca 0.15 -0.27 -0.16 0.00 -1.00 0.00 0.00 55.97 54.69 1wln s LYS 27 Cb -0.05 -3.84 -0.05 0.00 -2.06 0.00 0.00 37.83 31.83 1wln s LYS 27 CO 0.11 -0.69 1.05 -1.25 0.10 0.00 0.00 175.35 174.67 1wln s PRO 28 N 2.37 3.44 0.64 1.78 0.04 -1.26 -5.02 135.00 136.99 1wln s PRO 28 Ca 0.18 1.18 -0.16 0.00 0.04 0.00 0.00 61.00 62.24 1wln s PRO 28 Cb -0.16 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1wln s PRO 28 CO 0.14 -0.71 1.13 0.15 0.04 0.00 0.00 177.00 177.75 1wln s LYS 29 N -4.01 2.83 -0.07 4.56 -0.14 -1.26 -4.79 119.74 116.85 1wln s LYS 29 Ca 0.63 1.51 0.04 0.00 -1.36 0.00 0.00 55.97 56.79 1wln s LYS 29 Cb -0.15 -1.94 -0.00 0.00 -1.68 0.00 0.00 37.83 34.05 1wln s LYS 29 CO 0.35 -1.25 -0.21 -1.17 -0.76 0.00 0.00 175.35 172.31 1wln s LEU 30 N -4.65 1.97 -0.71 3.17 2.96 -1.26 -0.45 118.68 119.71 1wln s LEU 30 Ca 0.70 -0.46 0.05 0.00 -0.22 0.00 0.00 54.13 54.19 1wln s LEU 30 Cb -0.23 -1.22 0.19 0.00 0.50 0.00 0.00 46.19 45.44 1wln s LEU 30 CO 0.39 0.16 0.59 -1.22 -1.32 0.00 0.00 176.35 174.94 1wln n TYR 31 N 3.37 3.43 -1.63 5.38 4.02 0.53 -4.89 117.16 127.36 1wln n TYR 31 Ca -0.19 -4.25 -0.50 0.00 -0.01 0.00 0.00 57.90 52.95 1wln n TYR 31 Cb 0.53 -0.66 -0.05 0.00 -0.02 0.00 0.00 39.34 39.13 1wln n TYR 31 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1wln n ARG 32 N 1.72 1.62 -2.11 -0.72 5.12 -1.26 -0.71 116.66 120.31 1wln n ARG 32 Ca 0.22 0.59 -0.41 0.00 -1.93 0.00 0.00 57.85 56.32 1wln n ARG 32 Cb 0.36 -2.29 -0.00 0.00 -1.16 0.00 0.00 32.46 29.37 1wln n ARG 32 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1wln n LEU 33 N 3.27 7.74 -3.70 0.55 4.77 0.50 -4.86 117.00 125.27 1wln n LEU 33 Ca 0.18 -4.89 -0.38 0.00 -0.03 0.00 0.00 56.01 50.90 1wln n LEU 33 Cb 0.23 -1.37 -0.01 0.00 -2.33 0.00 0.00 43.42 39.94 1wln n LEU 33 CO 0.64 1.94 -0.21 0.00 -1.33 0.00 0.00 177.39 178.43 1wln n GLN 34 N 1.98 0.00 -1.03 3.23 6.02 -1.26 -4.51 117.38 121.80 1wln n GLN 34 Ca 0.57 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 57.20 1wln n GLN 34 Cb 0.27 -0.85 0.03 0.00 1.02 0.00 0.00 30.24 30.71 1wln n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wln n LEU 35 N 1.86 -5.59 0.00 1.08 4.77 -1.26 -4.72 117.00 113.14 1wln n LEU 35 Ca 0.12 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1wln n LEU 35 Cb 0.28 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1wln n LEU 35 CO 0.47 -5.78 0.00 -1.20 -1.33 0.00 0.00 177.39 169.55 1wln n SER 36 N 3.29 0.00 -4.75 -1.43 7.64 -1.26 -4.90 113.62 112.22 1wln n SER 36 Ca -0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1wln n SER 36 Cb 0.54 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 1wln n SER 36 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wln s VAL 37 N -2.52 3.04 -0.27 0.44 0.11 -1.25 -3.64 120.40 116.31 1wln s VAL 37 Ca 0.00 0.93 0.03 0.00 -2.93 0.00 0.00 61.98 60.01 1wln s VAL 37 Cb 0.00 -3.59 0.07 0.00 -1.53 0.00 0.00 36.38 31.32 1wln s VAL 37 CO 0.00 0.17 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.96 1wln s THR 38 N -0.41 2.18 -0.11 5.04 2.01 0.34 -4.88 115.64 119.82 1wln s THR 38 Ca 0.53 -1.73 -0.29 0.00 0.31 0.00 0.00 61.69 60.51 1wln s THR 38 Cb -0.37 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 1wln s THR 38 CO 0.43 -0.10 1.46 -1.61 -0.69 0.00 0.00 174.62 174.11 1wln s GLU 39 N 1.07 4.19 0.45 4.92 2.02 -1.26 0.15 118.70 130.25 1wln s GLU 39 Ca -0.06 1.91 0.04 0.00 0.02 0.00 0.00 54.97 56.88 1wln s GLU 39 Cb -0.20 -3.88 0.01 0.00 0.10 0.00 0.00 34.13 30.16 1wln s GLU 39 CO -0.05 -0.79 0.64 0.08 0.02 0.00 0.00 175.26 175.16 1wln s VAL 40 N 3.82 3.35 -0.76 2.63 1.01 0.49 -2.15 120.40 128.79 1wln s VAL 40 Ca 0.64 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1wln s VAL 40 Cb -0.27 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1wln s VAL 40 CO 0.22 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1wln n GLY 41 N -2.03 0.48 0.19 4.51 0.00 -1.11 -1.82 105.19 105.40 1wln n GLY 41 Ca 0.05 -2.11 0.08 0.00 0.00 0.00 0.00 46.02 44.03 1wln n GLY 41 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wln n THR 42 N 1.37 0.00 -3.24 2.61 -2.24 -0.30 0.19 114.28 112.66 1wln n THR 42 Ca 0.00 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.21 1wln n THR 42 Cb 0.00 1.10 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 1wln n THR 42 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1wln s GLU 43 N -2.16 3.97 -0.48 -0.78 0.41 -1.14 -4.87 118.70 113.64 1wln s GLU 43 Ca 0.10 0.55 -0.12 0.00 -0.41 0.00 0.00 54.97 55.08 1wln s GLU 43 Cb 0.12 -2.60 0.11 0.00 -1.78 0.00 0.00 34.13 29.98 1wln s GLU 43 CO 0.51 0.26 0.39 0.21 -0.49 0.00 0.00 175.26 176.14 1wln s LYS 44 N -2.72 2.75 -0.00 1.61 2.47 -1.26 -4.82 119.74 117.77 1wln s LYS 44 Ca 0.49 -1.62 -0.00 0.00 -1.56 0.00 0.00 55.97 53.28 1wln s LYS 44 Cb -0.12 -4.05 -0.00 0.00 -1.46 0.00 0.00 37.83 32.20 1wln s LYS 44 CO 0.19 -1.16 -0.00 1.19 0.16 0.00 0.00 175.35 175.73 1wln n PHE 45 N 5.07 0.02 -2.94 4.03 3.01 -1.26 -5.02 117.46 120.36 1wln n PHE 45 Ca -0.11 0.01 -0.19 0.00 1.01 0.00 0.00 57.45 58.17 1wln n PHE 45 Cb 0.41 -0.23 0.04 0.00 -0.01 0.00 0.00 39.48 39.70 1wln n PHE 45 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1wln s ASP 46 N -3.61 5.30 0.11 4.37 -1.08 -1.26 -5.02 116.67 115.48 1wln s ASP 46 Ca -0.00 -0.53 -0.12 0.00 -0.52 0.00 0.00 52.55 51.37 1wln s ASP 46 Cb 0.00 -0.27 -0.11 0.00 -1.46 0.00 0.00 42.92 41.08 1wln s ASP 46 CO 0.01 -1.11 1.38 -0.78 0.52 0.00 0.00 175.17 175.18 1wln h ASP 47 N 0.31 0.95 -2.42 -0.34 3.58 -2.00 -3.28 116.42 113.21 1wln h ASP 47 Ca -0.36 -0.55 -0.74 0.00 0.42 0.00 0.00 57.03 55.80 1wln h ASP 47 Cb 1.28 -0.27 -0.32 0.00 1.72 0.00 0.00 39.33 41.74 1wln h ASP 47 CO 0.44 1.32 0.42 0.59 -2.88 0.00 0.00 179.24 179.13 1wln n ASN 48 N -4.03 6.09 -3.07 2.28 4.13 -1.26 -5.00 115.26 114.40 1wln n ASN 48 Ca -0.05 -3.59 -0.09 0.00 1.68 0.00 0.00 54.58 52.53 1wln n ASN 48 Cb 0.64 -1.00 0.01 0.00 -1.54 0.00 0.00 39.78 37.88 1wln n ASN 48 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1wln n SER 49 N 0.36 1.35 -4.24 6.41 3.41 -1.24 -4.86 113.62 114.80 1wln n SER 49 Ca 0.36 -1.66 -0.34 0.00 -0.26 0.00 0.00 58.87 56.97 1wln n SER 49 Cb 0.32 -0.06 -0.15 0.00 -0.26 0.00 0.00 64.21 64.06 1wln n SER 49 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wln s ILE 50 N -0.78 2.95 -0.31 -1.33 1.01 -0.91 -4.99 121.20 116.83 1wln s ILE 50 Ca 0.15 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 60.04 1wln s ILE 50 Cb -0.01 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 40.14 1wln s ILE 50 CO 0.10 0.42 0.08 -1.58 0.00 0.00 0.00 174.94 173.95 1wln s GLN 51 N 1.40 2.85 -0.04 2.79 0.74 -1.26 -2.74 119.66 123.40 1wln s GLN 51 Ca 0.05 -1.02 0.05 0.00 0.05 0.00 0.00 55.36 54.49 1wln s GLN 51 Cb -0.14 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.57 1wln s GLN 51 CO -0.06 -0.54 -0.17 -0.51 -0.55 0.00 0.00 175.29 173.47 1wln s LEU 52 N 1.44 2.60 -0.21 3.68 1.43 0.50 -4.97 118.68 123.15 1wln s LEU 52 Ca 0.00 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1wln s LEU 52 Cb -0.18 -1.51 0.05 0.00 0.03 0.00 0.00 46.19 44.57 1wln s LEU 52 CO 0.02 0.34 -0.08 -0.36 0.23 0.00 0.00 176.35 176.50 1wln s PHE 53 N -0.71 2.40 0.12 0.29 0.08 -1.26 -3.56 117.98 115.34 1wln s PHE 53 Ca 0.11 -1.65 -0.16 0.00 0.12 0.00 0.00 56.93 55.35 1wln s PHE 53 Cb -0.10 -1.61 0.04 0.00 -0.57 0.00 0.00 43.02 40.77 1wln s PHE 53 CO 0.00 -0.75 0.40 0.20 -0.10 0.00 0.00 175.22 174.97 1wln s GLY 54 N 1.40 -0.27 -0.77 4.36 0.00 -1.26 -4.99 107.32 105.78 1wln s GLY 54 Ca -0.03 -0.03 -0.26 0.00 0.00 0.00 0.00 44.72 44.40 1wln s GLY 54 CO -0.07 -0.29 1.61 2.56 0.00 0.00 0.00 173.10 176.90 1wln s PRO 55 N -3.74 2.97 0.00 2.90 0.04 -1.26 -2.06 135.00 133.85 1wln s PRO 55 Ca 0.03 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1wln s PRO 55 Cb 0.02 -4.60 0.00 0.00 0.04 0.00 0.00 34.50 29.96 1wln s PRO 55 CO -0.12 -2.55 0.00 0.41 0.04 0.00 0.00 177.00 174.78 1wln n GLY 56 N 5.99 1.41 3.86 0.56 0.00 -1.26 -5.02 105.19 110.72 1wln n GLY 56 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1wln n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wln s ILE 57 N -2.00 4.68 0.51 -0.61 -1.09 -0.87 -4.87 121.20 116.95 1wln s ILE 57 Ca 0.00 0.89 0.05 0.00 -2.23 0.00 0.00 60.65 59.36 1wln s ILE 57 Cb 0.00 -3.67 0.01 0.00 -1.58 0.00 0.00 42.46 37.22 1wln s ILE 57 CO 0.00 -0.41 0.31 -1.10 -1.23 0.00 0.00 174.94 172.52 1wln s GLN 58 N -3.51 2.26 -0.07 2.79 -1.52 -1.26 -4.94 119.66 113.41 1wln s GLN 58 Ca 0.54 -2.01 -0.21 0.00 -1.95 0.00 0.00 55.36 51.73 1wln s GLN 58 Cb -0.10 -2.02 -0.16 0.00 -0.22 0.00 0.00 33.01 30.50 1wln s GLN 58 CO 0.25 -0.47 0.78 -1.00 -0.25 0.00 0.00 175.29 174.60 1wln h PRO 59 N 0.96 -0.12 -3.32 2.91 0.13 -1.93 -0.80 132.00 129.83 1wln h PRO 59 Ca -0.39 0.01 -0.74 0.00 -0.87 0.00 0.00 66.00 64.01 1wln h PRO 59 Cb 1.29 0.03 -0.33 0.00 0.13 0.00 0.00 31.00 32.13 1wln h PRO 59 CO 0.62 0.39 0.15 1.58 -0.23 0.00 0.00 178.00 180.50 1wln n HIS 60 N -4.83 4.42 0.06 1.56 -0.00 -1.26 -2.91 115.22 112.26 1wln n HIS 60 Ca -0.07 -3.94 -0.03 0.00 0.46 0.00 0.00 57.72 54.14 1wln n HIS 60 Cb 0.28 -1.32 -0.01 0.00 -0.12 0.00 0.00 29.99 28.82 1wln n HIS 60 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1wln h HIS 61 N 6.09 -0.15 -3.57 1.57 2.76 -1.55 -3.13 115.15 117.17 1wln h HIS 61 Ca 0.17 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.25 1wln h HIS 61 Cb 0.81 0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.75 1wln h HIS 61 CO 0.75 -0.10 -0.02 0.00 -1.30 0.00 0.00 177.93 177.27 1wln s ASP 63 N -3.08 2.42 -0.43 0.00 1.01 -0.26 0.19 116.67 116.52 1wln s ASP 63 Ca 0.22 -0.45 -0.25 0.00 0.71 0.00 0.00 52.55 52.77 1wln s ASP 63 Cb -0.02 -0.83 0.02 0.00 1.01 0.00 0.00 42.92 43.11 1wln s ASP 63 CO 0.12 -0.16 0.92 -0.76 0.21 0.00 0.00 175.17 175.51 1wln s LEU 64 N 1.71 4.00 -0.33 1.23 2.01 0.12 -3.56 118.68 123.86 1wln s LEU 64 Ca 0.03 0.26 -0.09 0.00 0.01 0.00 0.00 54.13 54.33 1wln s LEU 64 Cb -0.14 -3.21 0.01 0.00 0.01 0.00 0.00 46.19 42.86 1wln s LEU 64 CO -0.08 -0.99 0.16 -0.89 1.01 0.00 0.00 176.35 175.56 1wln s THR 65 N 3.67 4.40 -0.49 5.49 2.01 -1.25 0.13 115.64 129.59 1wln s THR 65 Ca 0.37 -0.70 -0.21 0.00 0.31 0.00 0.00 61.69 61.46 1wln s THR 65 Cb -0.11 -3.35 0.04 0.00 0.01 0.00 0.00 72.50 69.09 1wln s THR 65 CO 0.24 -0.07 0.73 0.21 -0.69 0.00 0.00 174.62 175.04 1wln s ASN 66 N 1.55 6.30 -0.24 3.53 2.47 -1.24 -3.24 114.94 124.07 1wln s ASN 66 Ca 0.03 -0.53 0.01 0.00 0.42 0.00 0.00 52.86 52.78 1wln s ASN 66 Cb -0.18 -2.35 0.04 0.00 -1.45 0.00 0.00 41.25 37.31 1wln s ASN 66 CO 0.05 -0.95 -0.11 -0.04 -3.72 0.00 0.00 177.10 172.34 1wln s MET 67 N 3.10 2.64 -1.47 0.43 -1.94 0.43 -4.07 119.30 118.41 1wln s MET 67 Ca 0.23 -1.09 0.00 0.00 -1.71 0.00 0.00 55.69 53.11 1wln s MET 67 Cb -0.15 -2.87 0.00 0.00 2.01 0.00 0.00 34.83 33.82 1wln s MET 67 CO 0.17 -0.43 0.00 -0.25 -0.01 0.00 0.00 175.02 174.50 1wln n ASP 68 N 4.57 -4.42 0.00 3.03 9.92 -1.26 0.94 116.55 129.33 1wln n ASP 68 Ca -0.16 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1wln n ASP 68 Cb 0.46 -3.85 0.00 0.00 -0.64 0.00 0.00 41.12 37.09 1wln n ASP 68 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wln n GLY 69 N -0.62 3.23 3.75 0.44 0.00 -1.26 -5.04 105.19 105.69 1wln n GLY 69 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1wln n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wln s VAL 70 N -2.81 3.70 0.04 1.61 1.01 0.27 -4.76 120.40 119.46 1wln s VAL 70 Ca 0.00 1.61 0.08 0.00 0.00 0.00 0.00 61.98 63.67 1wln s VAL 70 Cb 0.00 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1wln s VAL 70 CO 0.00 0.34 -0.22 -0.69 0.00 0.00 0.00 175.10 174.53 1wln s VAL 71 N -0.82 1.81 -0.05 2.92 1.01 -1.26 0.16 120.40 124.17 1wln s VAL 71 Ca 0.46 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1wln s VAL 71 Cb -0.30 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.54 1wln s VAL 71 CO 0.38 0.25 0.03 0.42 0.00 0.00 0.00 175.10 176.18 1wln s THR 72 N -0.80 0.15 -0.01 3.92 -4.23 -1.20 -0.66 115.64 112.80 1wln s THR 72 Ca 0.09 0.25 -0.30 0.00 -1.18 0.00 0.00 61.69 60.55 1wln s THR 72 Cb -0.09 -0.34 -0.05 0.00 1.34 0.00 0.00 72.50 73.36 1wln s THR 72 CO 0.02 0.22 1.28 0.54 -0.54 0.00 0.00 174.62 176.14 1wln s VAL 73 N 1.98 3.97 -0.24 2.29 0.11 0.45 -3.87 120.40 125.09 1wln s VAL 73 Ca 0.04 1.35 -0.00 0.00 -2.93 0.00 0.00 61.98 60.44 1wln s VAL 73 Cb -0.12 -3.87 0.07 0.00 -1.53 0.00 0.00 36.38 30.93 1wln s VAL 73 CO -0.04 0.02 0.00 -0.89 -3.33 0.00 0.00 175.10 170.87 1wln s THR 74 N 2.04 1.20 -0.34 5.04 2.01 -1.23 -0.90 115.64 123.46 1wln s THR 74 Ca 0.60 -1.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.15 1wln s THR 74 Cb -0.28 -1.63 0.00 0.00 0.01 0.00 0.00 72.50 70.60 1wln s THR 74 CO 0.25 -0.27 1.37 -2.16 -0.69 0.00 0.00 174.62 173.13 1wln s PRO 75 N 1.52 3.76 0.41 4.92 0.04 -1.26 -1.10 135.00 143.29 1wln s PRO 75 Ca -0.01 1.15 0.22 0.00 0.04 0.00 0.00 61.00 62.41 1wln s PRO 75 Cb -0.18 -3.95 0.59 0.00 0.04 0.00 0.00 34.50 30.99 1wln s PRO 75 CO -0.10 -1.32 1.68 0.00 0.04 0.00 0.00 177.00 177.30 1wln h ARG 76 N 9.99 0.00 -5.29 4.56 2.47 -1.27 -3.44 114.38 121.40 1wln h ARG 76 Ca -0.27 0.00 -0.47 0.00 -1.26 0.00 0.00 59.98 57.98 1wln h ARG 76 Cb 1.11 0.00 -0.27 0.00 -1.65 0.00 0.00 29.97 29.15 1wln h ARG 76 CO 1.05 0.22 -0.80 -1.12 0.56 0.00 0.00 179.97 179.88 1wln s SER 77 N -6.21 1.64 0.01 7.04 0.01 -1.18 -5.03 113.70 109.98 1wln s SER 77 Ca 0.03 -0.33 -0.21 0.00 1.31 0.00 0.00 55.95 56.75 1wln s SER 77 Cb 0.08 -0.15 -0.18 0.00 0.21 0.00 0.00 66.02 65.98 1wln s SER 77 CO 0.66 0.12 1.23 -0.03 0.41 0.00 0.00 173.24 175.64 1wln h MET 78 N 5.48 0.30 -1.03 12.44 4.05 -1.92 -3.07 114.93 131.18 1wln h MET 78 Ca -0.36 -0.21 0.27 0.00 -0.28 0.00 0.00 59.70 59.12 1wln h MET 78 Cb 1.17 0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.92 1wln h MET 78 CO 0.47 0.82 0.68 -0.44 0.23 0.00 0.00 176.91 178.67 1wln h ASP 79 N -0.17 0.35 -2.49 1.39 5.19 -1.98 -3.35 116.42 115.36 1wln h ASP 79 Ca -0.00 0.06 -0.54 0.00 -0.62 0.00 0.00 57.03 55.93 1wln h ASP 79 Cb 0.83 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.30 1wln h ASP 79 CO 0.05 0.08 1.24 0.00 -3.12 0.00 0.00 179.24 177.49 1wln s ALA 80 N -5.37 2.60 -0.19 3.45 0.00 -1.16 -4.95 121.76 116.14 1wln s ALA 80 Ca -0.08 -0.37 -0.26 0.00 0.00 0.00 0.00 51.96 51.25 1wln s ALA 80 Cb 0.24 -4.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.21 1wln s ALA 80 CO 0.80 -3.18 0.90 -1.21 0.00 0.00 0.00 175.76 173.06 1wln s GLU 81 N 6.09 4.28 -0.31 0.00 8.01 -1.26 -4.87 118.70 130.65 1wln s GLU 81 Ca 0.66 1.12 0.01 0.00 0.01 0.00 0.00 54.97 56.77 1wln s GLU 81 Cb -0.15 -3.60 0.10 0.00 -4.31 0.00 0.00 34.13 26.17 1wln s GLU 81 CO 0.26 -0.42 0.07 0.99 0.01 0.00 0.00 175.26 176.17 1wln s THR 82 N 2.47 1.43 -0.34 3.63 2.01 -1.26 -1.82 115.64 121.76 1wln s THR 82 Ca 0.40 -1.72 -0.14 0.00 0.31 0.00 0.00 61.69 60.54 1wln s THR 82 Cb -0.16 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 1wln s THR 82 CO 0.11 -0.60 0.30 -0.31 -0.69 0.00 0.00 174.62 173.42 1wln s TYR 83 N 1.34 3.22 -0.91 4.92 1.51 -0.79 -2.41 117.35 124.23 1wln s TYR 83 Ca 0.09 -0.11 -0.20 0.00 -1.01 0.00 0.00 57.07 55.83 1wln s TYR 83 Cb -0.18 -2.56 0.10 0.00 -0.11 0.00 0.00 41.96 39.21 1wln s TYR 83 CO -0.17 -0.39 1.19 0.08 -1.11 0.00 0.00 175.55 175.15 1wln s VAL 84 N 1.86 4.45 -0.08 0.71 1.01 0.27 -1.52 120.40 127.10 1wln s VAL 84 Ca 0.09 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1wln s VAL 84 Cb -0.17 -4.84 0.00 0.00 0.00 0.00 0.00 36.38 31.37 1wln s VAL 84 CO 0.11 -1.62 0.00 -0.67 0.00 0.00 0.00 175.10 172.92 1wln n ASP 85 N 7.34 -2.00 0.00 3.32 2.03 0.97 -3.35 116.55 124.86 1wln n ASP 85 Ca 0.22 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1wln n ASP 85 Cb 0.49 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1wln n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wln n GLY 86 N -1.80 0.94 2.80 0.27 0.00 -1.24 -4.96 105.19 101.20 1wln n GLY 86 Ca -0.01 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 1wln n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wln s GLN 87 N -1.16 0.94 0.41 1.61 -0.21 -1.21 -5.01 119.66 115.02 1wln s GLN 87 Ca 0.00 -0.54 -0.25 0.00 0.02 0.00 0.00 55.36 54.59 1wln s GLN 87 Cb 0.00 -2.17 -0.08 0.00 1.00 0.00 0.00 33.01 31.76 1wln s GLN 87 CO 0.00 -0.60 1.19 0.50 -2.12 0.00 0.00 175.29 174.26 1wln s ARG 88 N 1.74 4.01 0.40 2.91 3.52 -1.26 0.94 118.95 131.20 1wln s ARG 88 Ca -0.02 1.89 0.08 0.00 -0.13 0.00 0.00 55.73 57.55 1wln s ARG 88 Cb -0.17 -2.66 -0.03 0.00 -1.56 0.00 0.00 34.95 30.53 1wln s ARG 88 CO -0.07 -0.38 0.32 0.96 -0.81 0.00 0.00 175.30 175.32 1wln s ILE 89 N -1.40 2.74 -0.00 4.11 -4.36 -1.01 -4.90 121.20 116.38 1wln s ILE 89 Ca 0.58 -1.43 0.00 0.00 -0.26 0.00 0.00 60.65 59.54 1wln s ILE 89 Cb -0.32 -3.02 0.00 0.00 1.25 0.00 0.00 42.46 40.37 1wln s ILE 89 CO 0.40 -0.04 0.62 -0.24 0.24 0.00 0.00 174.94 175.93 1wln n SER 90 N -1.44 0.38 -3.44 4.36 2.88 -1.26 -4.85 113.62 110.24 1wln n SER 90 Ca 0.02 -1.26 0.02 0.00 -1.33 0.00 0.00 58.87 56.32 1wln n SER 90 Cb 0.62 -0.02 0.01 0.00 -0.75 0.00 0.00 64.21 64.07 1wln n SER 90 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1wln n GLU 91 N -0.11 0.15 -1.49 -1.46 0.28 -1.26 -5.02 120.64 111.73 1wln n GLU 91 Ca 0.00 -0.65 -0.44 0.00 -0.16 0.00 0.00 57.16 55.91 1wln n GLU 91 Cb 0.47 1.09 -0.08 0.00 1.43 0.00 0.00 31.44 34.35 1wln n GLU 91 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1wln n THR 92 N -0.79 0.06 -4.31 3.84 -1.04 -1.26 -4.70 114.28 106.08 1wln n THR 92 Ca 0.04 -0.36 -0.34 0.00 -2.04 0.00 0.00 64.05 61.35 1wln n THR 92 Cb 0.50 -1.73 -0.14 0.00 -1.82 0.00 0.00 70.33 67.14 1wln n THR 92 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1wln s THR 93 N 9.18 3.23 0.55 12.58 2.01 -0.07 -4.93 115.64 138.19 1wln s THR 93 Ca 1.12 -0.57 -0.22 0.00 0.31 0.00 0.00 61.69 62.34 1wln s THR 93 Cb -0.75 -2.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.30 1wln s THR 93 CO 0.42 0.48 1.37 0.80 -0.69 0.00 0.00 174.62 177.00 1wln n MET 94 N 4.15 1.70 -4.55 4.92 1.56 -1.26 -0.41 117.12 123.23 1wln n MET 94 Ca -0.18 0.63 -0.32 0.00 -0.27 0.00 0.00 57.70 57.56 1wln n MET 94 Cb 0.52 -2.59 -0.11 0.00 2.15 0.00 0.00 33.22 33.19 1wln n MET 94 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wln s LEU 95 N -3.50 2.95 0.03 -0.89 1.43 0.16 -4.79 118.68 114.06 1wln s LEU 95 Ca 0.72 -0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.63 1wln s LEU 95 Cb -0.41 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 1wln s LEU 95 CO 0.49 0.27 -0.17 -1.10 0.23 0.00 0.00 176.35 176.08 1wln s GLN 96 N -1.40 1.19 0.07 1.70 -0.21 -1.26 -4.54 119.66 115.21 1wln s GLN 96 Ca 0.16 -0.77 -0.36 0.00 0.02 0.00 0.00 55.36 54.41 1wln s GLN 96 Cb -0.11 -1.22 -0.15 0.00 1.00 0.00 0.00 33.01 32.53 1wln s GLN 96 CO 0.06 0.32 1.51 -1.13 -2.12 0.00 0.00 175.29 173.93 1wln n SER 97 N 2.10 2.37 0.00 5.90 3.41 -1.25 -0.80 113.62 125.34 1wln n SER 97 Ca -0.17 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 1wln n SER 97 Cb 0.54 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 1wln n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wln n GLY 98 N 3.14 2.59 3.66 5.00 0.00 0.29 -4.95 105.19 114.92 1wln n GLY 98 Ca 0.19 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 1wln n GLY 98 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wln n MET 99 N 0.00 1.82 -3.58 1.61 2.00 0.02 -4.65 117.12 114.34 1wln n MET 99 Ca 0.00 0.64 -0.33 0.00 0.00 0.00 0.00 57.70 58.01 1wln n MET 99 Cb 0.00 -2.16 -0.05 0.00 0.00 0.00 0.00 33.22 31.01 1wln n MET 99 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1wln s ARG 100 N -1.81 3.72 -0.27 0.03 0.52 -1.26 -1.55 118.95 118.31 1wln s ARG 100 Ca 0.57 0.09 0.02 0.00 -0.52 0.00 0.00 55.73 55.90 1wln s ARG 100 Cb -0.60 -2.87 0.07 0.00 0.52 0.00 0.00 34.95 32.07 1wln s ARG 100 CO 0.61 0.48 -0.04 -0.51 0.02 0.00 0.00 175.30 175.85 1wln s LEU 101 N -2.38 3.39 -0.31 2.53 1.02 0.50 -0.02 118.68 123.41 1wln s LEU 101 Ca 0.39 -1.51 -0.11 0.00 0.02 0.00 0.00 54.13 52.92 1wln s LEU 101 Cb -0.13 -1.41 -0.02 0.00 0.02 0.00 0.00 46.19 44.66 1wln s LEU 101 CO 0.21 -0.26 0.18 -1.58 0.02 0.00 0.00 176.35 174.92 1wln s GLN 102 N 1.18 3.49 -0.39 1.70 0.74 -0.58 -0.70 119.66 125.11 1wln s GLN 102 Ca -0.02 -0.63 -0.08 0.00 0.05 0.00 0.00 55.36 54.68 1wln s GLN 102 Cb -0.19 -3.64 0.06 0.00 1.10 0.00 0.00 33.01 30.34 1wln s GLN 102 CO -0.07 -0.38 0.20 -0.06 -0.55 0.00 0.00 175.29 174.42 1wln s PHE 103 N 1.67 3.32 -1.17 1.67 0.08 0.12 -1.89 117.98 121.78 1wln s PHE 103 Ca 0.06 -1.50 -0.05 0.00 0.12 0.00 0.00 56.93 55.56 1wln s PHE 103 Cb -0.17 -2.69 0.01 0.00 -0.57 0.00 0.00 43.02 39.60 1wln s PHE 103 CO 0.08 -0.80 0.68 0.41 -0.10 0.00 0.00 175.22 175.49 1wln n GLY 104 N 4.87 -0.25 4.11 4.36 0.00 -0.76 -2.44 105.19 115.08 1wln n GLY 104 Ca -0.10 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1wln n GLY 104 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wln n THR 105 N -4.36 -1.34 0.00 2.61 5.66 -1.26 -4.63 114.28 110.96 1wln n THR 105 Ca -0.05 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 1wln n THR 105 Cb 0.58 -1.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.12 1wln n THR 105 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1wln n SER 106 N -2.34 0.00 -4.43 1.09 7.64 -1.15 -5.07 113.62 109.36 1wln n SER 106 Ca -0.24 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.25 1wln n SER 106 Cb 0.59 0.22 -0.11 0.00 -1.01 0.00 0.00 64.21 63.90 1wln n SER 106 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1wln s HIS 107 N -1.73 3.21 -0.10 1.43 4.02 -1.02 -4.89 115.29 116.21 1wln s HIS 107 Ca 0.00 -0.65 0.00 0.00 1.02 0.00 0.00 55.06 55.43 1wln s HIS 107 Cb 0.00 -2.42 -0.02 0.00 -1.02 0.00 0.00 32.58 29.12 1wln s HIS 107 CO 0.00 -0.52 -0.11 0.08 1.02 0.00 0.00 174.74 175.22 1wln s VAL 108 N 1.61 3.31 -0.02 -0.90 1.01 -1.25 0.15 120.40 124.30 1wln s VAL 108 Ca 0.04 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1wln s VAL 108 Cb -0.18 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1wln s VAL 108 CO 0.07 0.55 0.07 -0.36 0.00 0.00 0.00 175.10 175.44 1wln s PHE 109 N -0.13 -0.04 -0.35 5.22 0.40 0.12 0.10 117.98 123.31 1wln s PHE 109 Ca -0.00 0.10 -0.10 0.00 -0.60 0.00 0.00 56.93 56.33 1wln s PHE 109 Cb -0.13 -0.00 0.02 0.00 0.51 0.00 0.00 43.02 43.41 1wln s PHE 109 CO 0.03 -0.08 0.18 0.21 0.70 0.00 0.00 175.22 176.26 1wln s LYS 110 N -0.26 2.98 0.06 0.44 2.20 0.61 0.19 119.74 125.97 1wln s LYS 110 Ca -0.03 -0.97 -0.30 0.00 -0.36 0.00 0.00 55.97 54.31 1wln s LYS 110 Cb -0.02 -3.66 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 1wln s LYS 110 CO 0.00 -0.61 0.97 0.12 -0.36 0.00 0.00 175.35 175.47 1wln s PHE 111 N 1.56 3.75 0.09 4.03 2.19 -0.60 -1.50 117.98 127.50 1wln s PHE 111 Ca 0.03 1.76 0.04 0.00 0.33 0.00 0.00 56.93 59.08 1wln s PHE 111 Cb -0.18 -3.08 -0.03 0.00 -1.31 0.00 0.00 43.02 38.41 1wln s PHE 111 CO 0.06 0.12 -0.11 0.08 1.83 0.00 0.00 175.22 177.20 1wln s VAL 112 N 0.42 0.97 -0.33 3.12 1.01 -0.89 0.10 120.40 124.81 1wln s VAL 112 Ca 0.49 -1.52 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1wln s VAL 112 Cb -0.22 -1.23 0.09 0.00 0.00 0.00 0.00 36.38 35.02 1wln s VAL 112 CO 0.29 -0.45 0.03 -0.62 0.00 0.00 0.00 175.10 174.35 1wln s ASP 113 N -2.20 4.66 0.00 3.32 2.15 -1.26 -2.54 116.67 120.79 1wln s ASP 113 Ca 0.03 -2.01 0.22 0.00 0.43 0.00 0.00 52.55 51.22 1wln s ASP 113 Cb -0.05 -1.56 0.96 0.00 -0.30 0.00 0.00 42.92 41.97 1wln s ASP 113 CO 0.01 -0.36 1.70 -0.81 -0.17 0.00 0.00 175.17 175.55 1wln n PRO 114 N 4.32 0.03 -0.03 4.34 -0.04 -1.24 -3.28 135.00 139.11 1wln n PRO 114 Ca 0.01 0.12 -0.11 0.00 -0.04 0.00 0.00 63.50 63.48 1wln n PRO 114 Cb 0.42 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 1wln n PRO 114 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wln h SER 115 N 0.00 0.19 -2.15 3.54 0.87 -1.59 -3.43 113.55 110.98 1wln h SER 115 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1wln h SER 115 Cb 0.36 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1wln h SER 115 CO 0.00 0.20 0.00 0.61 -0.53 0.00 0.00 176.83 177.11 1wln n GLY 116 N -0.95 2.83 3.73 5.77 0.00 -1.20 -5.04 105.19 110.33 1wln n GLY 116 Ca -0.04 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 1wln n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wln s PRO 117 N -4.57 4.52 0.56 1.61 0.04 -1.26 -4.77 135.00 131.13 1wln s PRO 117 Ca 0.00 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1wln s PRO 117 Cb 0.00 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1wln s PRO 117 CO 0.00 -0.08 0.00 0.45 0.04 0.00 0.00 177.00 177.41 1wln n SER 118 N 3.08 -8.45 -3.65 6.66 2.88 -1.26 -5.07 113.62 107.82 1wln n SER 118 Ca 0.05 1.62 0.00 0.00 -1.33 0.00 0.00 58.87 59.22 1wln n SER 118 Cb 0.46 -4.93 -0.06 0.00 -0.75 0.00 0.00 64.21 58.93 1wln n SER 118 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wln s SER 119 N -4.64 -0.20 0.00 -3.46 0.15 -1.26 -5.18 113.70 99.10 1wln s SER 119 Ca 0.00 0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1wln s SER 119 Cb 0.00 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 1wln s SER 119 CO 0.00 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.00