#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wln s SER 2 N 0.00 -0.53 0.20 1.61 0.01 -1.26 -5.02 113.70 108.72 1wln s SER 2 Ca 0.00 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1wln s SER 2 Cb 0.00 1.50 0.00 0.00 0.21 0.00 0.00 66.02 67.73 1wln s SER 2 CO 0.00 -0.29 0.00 -0.24 0.41 0.00 0.00 173.24 173.12 1wln n SER 3 N 5.04 0.22 0.00 2.44 2.88 -1.26 -5.18 113.62 117.76 1wln n SER 3 Ca 0.05 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1wln n SER 3 Cb 0.52 0.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.13 1wln n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wln n GLY 4 N 2.17 1.93 3.52 0.46 0.00 -1.26 -5.10 105.19 106.91 1wln n GLY 4 Ca 0.00 -2.20 -0.25 0.00 0.00 0.00 0.00 46.02 43.57 1wln n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wln s SER 5 N 0.00 3.94 -0.27 1.61 0.15 -1.26 -5.10 113.70 112.77 1wln s SER 5 Ca 0.00 -0.79 -0.02 0.00 0.70 0.00 0.00 55.95 55.84 1wln s SER 5 Cb 0.00 -0.52 0.12 0.00 -1.71 0.00 0.00 66.02 63.91 1wln s SER 5 CO 0.00 0.07 0.26 -0.44 1.20 0.00 0.00 173.24 174.32 1wln s SER 6 N -3.18 1.84 -0.43 5.45 0.01 -1.26 -5.01 113.70 111.12 1wln s SER 6 Ca 0.27 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1wln s SER 6 Cb -0.07 0.37 0.20 0.00 0.21 0.00 0.00 66.02 66.74 1wln s SER 6 CO 0.15 -0.38 0.91 -0.83 0.41 0.00 0.00 173.24 173.50 1wln s GLY 7 N 2.32 -1.59 0.31 3.44 0.00 -1.26 -4.99 107.32 105.55 1wln s GLY 7 Ca 0.09 0.12 0.26 0.00 0.00 0.00 0.00 44.72 45.18 1wln s GLY 7 CO -0.28 3.99 1.76 -0.56 0.00 0.00 0.00 173.10 178.01 1wln h PRO 8 N 4.68 0.00 -0.10 2.90 0.13 -2.01 -2.54 132.00 135.05 1wln h PRO 8 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1wln h PRO 8 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1wln h PRO 8 CO -0.05 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 176.87 1wln n GLU 9 N -2.48 1.64 -3.09 0.86 0.28 -1.26 -4.10 120.64 112.48 1wln n GLU 9 Ca 0.03 -0.94 -0.16 0.00 -0.16 0.00 0.00 57.16 55.93 1wln n GLU 9 Cb 0.35 -1.42 -0.01 0.00 1.43 0.00 0.00 31.44 31.80 1wln n GLU 9 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1wln n LYS 10 N 0.16 0.96 -3.95 3.44 2.85 -0.96 -4.99 118.16 115.67 1wln n LYS 10 Ca 0.17 -3.06 -0.26 0.00 -1.05 0.00 0.00 58.31 54.11 1wln n LYS 10 Cb 0.31 -1.55 -0.03 0.00 -0.65 0.00 0.00 35.03 33.11 1wln n LYS 10 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1wln s LEU 11 N -2.31 4.32 0.23 -5.58 1.43 -1.24 -3.20 118.68 112.32 1wln s LEU 11 Ca 0.36 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.32 1wln s LEU 11 Cb 0.33 -2.90 -0.09 0.00 0.03 0.00 0.00 46.19 43.57 1wln s LEU 11 CO -0.08 0.05 1.10 -2.16 0.23 0.00 0.00 176.35 175.49 1wln s PRO 12 N -3.24 4.62 0.19 1.29 0.04 -1.26 -4.22 135.00 132.41 1wln s PRO 12 Ca 0.34 1.76 0.04 0.00 0.04 0.00 0.00 61.00 63.18 1wln s PRO 12 Cb -0.11 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 1wln s PRO 12 CO 0.28 0.14 -0.04 1.52 0.04 0.00 0.00 177.00 178.94 1wln s TYR 13 N -0.67 1.42 -0.30 0.56 1.13 -0.88 0.19 117.35 118.80 1wln s TYR 13 Ca 0.47 -0.86 -0.01 0.00 -1.41 0.00 0.00 57.07 55.26 1wln s TYR 13 Cb -0.31 -0.78 0.05 0.00 -1.10 0.00 0.00 41.96 39.82 1wln s TYR 13 CO 0.38 0.00 -0.01 -0.51 -2.51 0.00 0.00 175.55 172.90 1wln s LEU 14 N -3.24 3.90 -0.56 -3.49 1.43 -0.81 -1.45 118.68 114.45 1wln s LEU 14 Ca 0.23 -1.33 -0.20 0.00 -1.03 0.00 0.00 54.13 51.81 1wln s LEU 14 Cb 0.04 -1.70 0.07 0.00 0.03 0.00 0.00 46.19 44.64 1wln s LEU 14 CO 0.05 -0.26 0.74 0.54 0.23 0.00 0.00 176.35 177.64 1wln s VAL 15 N 1.23 4.72 0.12 -1.59 0.11 0.63 -2.80 120.40 122.82 1wln s VAL 15 Ca -0.05 -0.58 -0.35 0.00 -2.93 0.00 0.00 61.98 58.08 1wln s VAL 15 Cb -0.20 -4.45 -0.17 0.00 -1.53 0.00 0.00 36.38 30.03 1wln s VAL 15 CO -0.02 -1.05 1.10 1.21 -3.33 0.00 0.00 175.10 173.02 1wln n GLU 16 N 6.59 0.77 -4.45 1.54 2.13 -0.92 -1.21 120.64 125.09 1wln n GLU 16 Ca -0.06 0.28 -0.25 0.00 0.66 0.00 0.00 57.16 57.78 1wln n GLU 16 Cb 0.45 -1.75 -0.10 0.00 0.27 0.00 0.00 31.44 30.31 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 0.73 2.81 1.11 4.31 1.43 0.38 -4.62 118.68 124.84 1wln s LEU 17 Ca 0.78 -1.07 -0.17 0.00 -1.03 0.00 0.00 54.13 52.64 1wln s LEU 17 Cb -0.97 -1.17 0.16 0.00 0.03 0.00 0.00 46.19 44.23 1wln s LEU 17 CO 0.53 -0.16 0.20 -0.24 0.23 0.00 0.00 176.35 176.91 1wln n SER 18 N -0.82 -2.79 0.00 2.29 2.88 -0.06 -4.06 113.62 111.06 1wln n SER 18 Ca -0.05 -0.30 0.11 0.00 -1.33 0.00 0.00 58.87 57.30 1wln n SER 18 Cb 0.62 -0.88 0.58 0.00 -0.75 0.00 0.00 64.21 63.78 1wln n SER 18 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1wln n PRO 19 N -2.29 0.33 -0.00 -1.46 -0.04 -1.26 -2.14 135.00 128.14 1wln n PRO 19 Ca 0.04 0.07 0.05 0.00 -0.04 0.00 0.00 63.50 63.62 1wln n PRO 19 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 1wln n PRO 19 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wln n ASP 20 N -1.28 0.72 -0.24 3.54 9.92 -1.26 -4.94 116.55 123.01 1wln n ASP 20 Ca 0.11 -0.66 0.00 0.00 -0.53 0.00 0.00 54.79 53.71 1wln n ASP 20 Cb 0.18 1.05 0.00 0.00 -0.64 0.00 0.00 41.12 41.71 1wln n ASP 20 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wln n GLY 21 N 1.32 0.93 3.41 0.44 0.00 -0.91 -5.10 105.19 105.27 1wln n GLY 21 Ca 0.01 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.36 2.97 -0.50 1.61 0.15 -1.26 -4.84 113.70 109.46 1wln s SER 22 Ca 0.00 -1.06 -0.23 0.00 0.70 0.00 0.00 55.95 55.36 1wln s SER 22 Cb 0.00 -0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.15 1wln s SER 22 CO 0.00 -0.14 0.81 1.51 1.20 0.00 0.00 173.24 176.62 1wln s ASP 23 N -3.41 6.34 1.29 5.45 1.47 -1.26 -0.88 116.67 125.67 1wln s ASP 23 Ca 0.26 -0.37 -0.20 0.00 1.18 0.00 0.00 52.55 53.43 1wln s ASP 23 Cb -0.01 -2.38 0.31 0.00 -0.34 0.00 0.00 42.92 40.49 1wln s ASP 23 CO 0.11 -1.03 0.69 -0.24 0.68 0.00 0.00 175.17 175.38 1wln n SER 24 N 6.89 -3.73 -1.25 2.11 2.88 -1.26 -4.87 113.62 114.39 1wln n SER 24 Ca 0.00 -0.69 0.07 0.00 -1.33 0.00 0.00 58.87 56.92 1wln n SER 24 Cb 0.47 -0.91 0.26 0.00 -0.75 0.00 0.00 64.21 63.28 1wln n SER 24 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1wln n ARG 25 N -4.25 3.06 -3.51 -1.46 1.85 -1.26 -4.90 116.66 106.19 1wln n ARG 25 Ca 0.11 -2.08 -0.17 0.00 -1.00 0.00 0.00 57.85 54.71 1wln n ARG 25 Cb 0.49 -1.75 -0.04 0.00 -1.05 0.00 0.00 32.46 30.10 1wln n ARG 25 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1wln n ASP 26 N 0.72 1.61 -4.50 2.89 8.00 -1.26 -5.11 116.55 118.90 1wln n ASP 26 Ca 0.19 -2.34 -0.43 0.00 0.71 0.00 0.00 54.79 52.93 1wln n ASP 26 Cb 0.70 0.51 -0.08 0.00 -0.02 0.00 0.00 41.12 42.23 1wln n ASP 26 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1wln s LYS 27 N -3.00 3.23 0.73 -1.24 1.02 -1.26 -5.06 119.74 114.17 1wln s LYS 27 Ca 0.09 -0.59 -0.11 0.00 0.02 0.00 0.00 55.97 55.38 1wln s LYS 27 Cb 0.00 -3.93 0.03 0.00 -0.52 0.00 0.00 37.83 33.41 1wln s LYS 27 CO 0.06 -0.84 1.07 -1.25 -0.92 0.00 0.00 175.35 173.48 1wln s PRO 28 N 2.29 2.61 0.64 -1.68 0.04 -1.26 -5.02 135.00 132.62 1wln s PRO 28 Ca 0.15 0.83 -0.16 0.00 0.04 0.00 0.00 61.00 61.86 1wln s PRO 28 Cb -0.16 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 1wln s PRO 28 CO 0.14 -1.30 1.14 0.15 0.04 0.00 0.00 177.00 177.18 1wln s LYS 29 N -5.09 2.82 -0.01 4.56 -0.14 -1.26 -4.83 119.74 115.79 1wln s LYS 29 Ca 0.59 1.54 0.03 0.00 -1.36 0.00 0.00 55.97 56.78 1wln s LYS 29 Cb -0.14 -1.94 -0.01 0.00 -1.68 0.00 0.00 37.83 34.06 1wln s LYS 29 CO 0.55 -1.26 -0.12 -1.17 -0.76 0.00 0.00 175.35 172.59 1wln s LEU 30 N -4.61 1.98 -0.33 3.17 2.96 -1.26 -2.17 118.68 118.43 1wln s LEU 30 Ca 0.70 -0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 54.40 1wln s LEU 30 Cb -0.24 -0.61 0.11 0.00 0.50 0.00 0.00 46.19 45.95 1wln s LEU 30 CO 0.38 0.13 0.13 -0.31 -1.32 0.00 0.00 176.35 175.36 1wln s TYR 31 N -0.20 1.73 -0.34 5.38 2.02 -1.12 -4.94 117.35 119.88 1wln s TYR 31 Ca 0.03 -1.86 -0.29 0.00 -0.37 0.00 0.00 57.07 54.58 1wln s TYR 31 Cb -0.05 -1.72 -0.01 0.00 -0.40 0.00 0.00 41.96 39.77 1wln s TYR 31 CO -0.00 -0.86 1.67 1.03 -1.57 0.00 0.00 175.55 175.82 1wln s ARG 32 N 1.37 3.46 -0.98 -0.62 0.52 -1.26 -1.93 118.95 119.50 1wln s ARG 32 Ca 0.12 1.33 -0.24 0.00 -0.52 0.00 0.00 55.73 56.42 1wln s ARG 32 Cb -0.19 -4.13 -0.01 0.00 0.52 0.00 0.00 34.95 31.14 1wln s ARG 32 CO -0.19 -1.71 1.78 -0.51 0.02 0.00 0.00 175.30 174.69 1wln s LEU 33 N 6.28 3.29 0.70 2.53 1.43 0.50 -4.95 118.68 128.47 1wln s LEU 33 Ca 0.74 -1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 1wln s LEU 33 Cb -0.20 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.47 1wln s LEU 33 CO 0.33 -2.31 1.08 -1.10 0.23 0.00 0.00 176.35 174.58 1wln s GLN 34 N 6.19 2.72 0.90 1.70 -0.21 -1.26 -4.25 119.66 125.45 1wln s GLN 34 Ca 0.62 1.15 -0.17 0.00 0.02 0.00 0.00 55.36 56.98 1wln s GLN 34 Cb -0.04 -1.95 -0.15 0.00 1.00 0.00 0.00 33.01 31.87 1wln s GLN 34 CO -0.02 -1.29 -0.66 1.28 -2.12 0.00 0.00 175.29 172.48 1wln n LEU 35 N -2.97 -5.51 0.00 2.90 4.77 -1.26 -4.73 117.00 110.19 1wln n LEU 35 Ca 0.09 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1wln n LEU 35 Cb 0.53 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1wln n LEU 35 CO 0.52 -5.78 0.00 -1.20 -1.33 0.00 0.00 177.39 169.61 1wln n SER 36 N 3.26 0.00 -4.76 -1.43 7.64 -1.26 -4.91 113.62 112.16 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 -2.64 3.21 -0.30 0.44 0.11 -1.26 -4.07 120.40 115.88 1wln s VAL 37 Ca 0.00 1.16 0.03 0.00 -2.93 0.00 0.00 61.98 60.24 1wln s VAL 37 Cb 0.00 -3.74 0.08 0.00 -1.53 0.00 0.00 36.38 31.20 1wln s VAL 37 CO 0.00 0.25 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.12 1wln s THR 38 N -0.83 2.09 0.28 5.04 2.01 0.36 -4.89 115.64 119.70 1wln s THR 38 Ca 0.49 -1.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.23 1wln s THR 38 Cb -0.35 -2.42 -0.10 0.00 0.01 0.00 0.00 72.50 69.65 1wln s THR 38 CO 0.44 -0.38 1.15 -1.61 -0.69 0.00 0.00 174.62 173.52 1wln s GLU 39 N 1.05 4.57 0.39 4.92 8.01 -1.26 0.12 118.70 136.50 1wln s GLU 39 Ca 0.03 1.89 0.08 0.00 0.01 0.00 0.00 54.97 56.98 1wln s GLU 39 Cb -0.19 -3.17 -0.05 0.00 -4.31 0.00 0.00 34.13 26.40 1wln s GLU 39 CO -0.08 0.11 0.13 0.08 0.01 0.00 0.00 175.26 175.51 1wln s VAL 40 N -1.06 2.47 -1.76 2.63 1.01 0.50 -2.12 120.40 122.07 1wln s VAL 40 Ca 0.46 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1wln s VAL 40 Cb -0.33 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1wln s VAL 40 CO 0.43 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1wln n GLY 41 N -1.15 0.47 0.01 4.51 0.00 -1.14 -1.56 105.19 106.34 1wln n GLY 41 Ca -0.02 -1.94 0.08 0.00 0.00 0.00 0.00 46.02 44.14 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 3.17 0.00 -2.09 2.61 -2.24 -0.56 0.18 114.28 115.36 1wln n THR 42 Ca 0.00 -0.32 -0.31 0.00 -2.27 0.00 0.00 64.05 61.14 1wln n THR 42 Cb 0.00 0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 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 -3.03 3.74 -0.47 -0.78 0.41 -1.21 -4.82 118.70 112.54 1wln s GLU 43 Ca -0.03 0.84 -0.04 0.00 -0.41 0.00 0.00 54.97 55.32 1wln s GLU 43 Cb 0.11 -2.10 0.12 0.00 -1.78 0.00 0.00 34.13 30.48 1wln s GLU 43 CO 0.70 -0.45 0.29 0.21 -0.49 0.00 0.00 175.26 175.51 1wln s LYS 44 N -4.72 2.23 -0.15 1.61 2.47 -1.26 -4.77 119.74 115.14 1wln s LYS 44 Ca 0.57 -1.95 -0.12 0.00 -1.56 0.00 0.00 55.97 52.91 1wln s LYS 44 Cb -0.11 -3.70 -0.08 0.00 -1.46 0.00 0.00 37.83 32.49 1wln s LYS 44 CO 0.45 -1.12 -0.02 0.74 0.16 0.00 0.00 175.35 175.55 1wln h PHE 45 N 7.95 0.00 -2.04 4.03 -1.00 -1.95 -3.48 116.94 120.45 1wln h PHE 45 Ca -0.12 0.00 -0.49 0.00 2.81 0.00 0.00 57.97 60.17 1wln h PHE 45 Cb 1.04 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.56 1wln h PHE 45 CO 0.61 0.41 -0.47 0.34 -1.61 0.00 0.00 178.31 177.59 1wln s ASP 46 N -6.01 5.63 0.25 2.17 2.15 -1.26 -5.01 116.67 114.60 1wln s ASP 46 Ca -0.17 -0.26 -0.04 0.00 0.43 0.00 0.00 52.55 52.51 1wln s ASP 46 Cb 0.03 -1.33 0.30 0.00 -0.30 0.00 0.00 42.92 41.62 1wln s ASP 46 CO 0.30 -0.18 1.82 -0.78 -0.17 0.00 0.00 175.17 176.16 1wln h ASP 47 N 1.30 0.92 -2.29 -0.34 3.58 -2.01 -3.06 116.42 114.53 1wln h ASP 47 Ca -0.48 -0.15 -0.66 0.00 0.42 0.00 0.00 57.03 56.16 1wln h ASP 47 Cb 1.24 -0.24 -0.37 0.00 1.72 0.00 0.00 39.33 41.68 1wln h ASP 47 CO 0.59 0.85 -0.08 0.59 -2.88 0.00 0.00 179.24 178.31 1wln n ASN 48 N -4.28 5.40 -4.96 2.28 4.13 -1.26 -5.03 115.26 111.53 1wln n ASN 48 Ca 0.06 -3.67 -0.21 0.00 1.68 0.00 0.00 54.58 52.44 1wln n ASN 48 Cb 0.20 -0.77 0.02 0.00 -1.54 0.00 0.00 39.78 37.68 1wln n ASN 48 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1wln s SER 49 N -2.72 5.06 -0.27 6.41 1.04 -1.16 -4.95 113.70 117.12 1wln s SER 49 Ca 0.45 -0.85 -0.15 0.00 0.48 0.00 0.00 55.95 55.87 1wln s SER 49 Cb 0.24 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 1wln s SER 49 CO -0.12 -1.03 0.39 -0.63 0.98 0.00 0.00 173.24 172.83 1wln s ILE 50 N -2.60 5.16 -0.44 -1.02 1.01 -0.90 -5.02 121.20 117.38 1wln s ILE 50 Ca 0.51 0.57 -0.04 0.00 0.00 0.00 0.00 60.65 61.70 1wln s ILE 50 Cb -0.05 -3.73 0.12 0.00 0.01 0.00 0.00 42.46 38.81 1wln s ILE 50 CO 0.31 0.12 0.25 -1.58 0.00 0.00 0.00 174.94 174.05 1wln s GLN 51 N 2.11 2.12 -0.04 2.79 0.74 -1.26 -2.87 119.66 123.26 1wln s GLN 51 Ca 0.16 -1.90 -0.02 0.00 0.05 0.00 0.00 55.36 53.64 1wln s GLN 51 Cb -0.16 -3.64 -0.04 0.00 1.10 0.00 0.00 33.01 30.27 1wln s GLN 51 CO 0.10 -1.10 0.09 -0.51 -0.55 0.00 0.00 175.29 173.32 1wln s LEU 52 N 1.02 4.01 -0.19 3.68 1.43 0.49 -4.96 118.68 124.15 1wln s LEU 52 Ca 0.09 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1wln s LEU 52 Cb -0.23 -2.21 0.05 0.00 0.03 0.00 0.00 46.19 43.83 1wln s LEU 52 CO -0.04 0.31 -0.03 -0.36 0.23 0.00 0.00 176.35 176.47 1wln s PHE 53 N -1.13 1.68 0.14 0.29 0.08 -1.26 -3.49 117.98 114.29 1wln s PHE 53 Ca 0.21 -1.19 -0.20 0.00 0.12 0.00 0.00 56.93 55.86 1wln s PHE 53 Cb -0.12 -1.29 0.06 0.00 -0.57 0.00 0.00 43.02 41.09 1wln s PHE 53 CO 0.11 -0.65 0.52 0.20 -0.10 0.00 0.00 175.22 175.29 1wln s GLY 54 N 1.64 -0.48 -0.62 4.36 0.00 -1.26 -5.08 107.32 105.88 1wln s GLY 54 Ca -0.02 0.28 -0.27 0.00 0.00 0.00 0.00 44.72 44.71 1wln s GLY 54 CO -0.07 -0.02 1.53 2.56 0.00 0.00 0.00 173.10 177.10 1wln s PRO 55 N -3.73 3.04 0.00 2.90 0.04 -1.26 -2.33 135.00 133.66 1wln s PRO 55 Ca 0.02 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1wln s PRO 55 Cb 0.00 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.31 1wln s PRO 55 CO -0.12 -2.26 0.00 0.41 0.04 0.00 0.00 177.00 175.06 1wln n GLY 56 N 5.45 1.61 3.93 0.56 0.00 -1.26 -5.02 105.19 110.46 1wln n GLY 56 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 5.31 0.49 -0.61 -1.09 -0.98 -4.73 121.20 117.59 1wln s ILE 57 Ca 0.00 -0.47 0.06 0.00 -2.23 0.00 0.00 60.65 58.00 1wln s ILE 57 Cb 0.00 -3.69 -0.00 0.00 -1.58 0.00 0.00 42.46 37.18 1wln s ILE 57 CO 0.00 -0.02 0.27 -1.10 -1.23 0.00 0.00 174.94 172.86 1wln s GLN 58 N -2.96 2.26 -0.08 2.79 -1.52 -1.26 -4.94 119.66 113.95 1wln s GLN 58 Ca 0.36 -1.98 -0.27 0.00 -1.95 0.00 0.00 55.36 51.52 1wln s GLN 58 Cb -0.12 -2.00 -0.22 0.00 -0.22 0.00 0.00 33.01 30.45 1wln s GLN 58 CO 0.28 -0.38 0.98 -1.00 -0.25 0.00 0.00 175.29 174.92 1wln h PRO 59 N 1.08 -0.02 -3.28 2.91 0.13 -1.93 -1.48 132.00 129.42 1wln h PRO 59 Ca -0.40 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.00 1wln h PRO 59 Cb 1.29 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.09 1wln h PRO 59 CO 0.64 0.71 0.09 1.58 -0.23 0.00 0.00 178.00 180.79 1wln n HIS 60 N -4.74 4.29 0.00 1.56 -0.00 -1.26 -3.22 115.22 111.86 1wln n HIS 60 Ca -0.09 -3.96 0.00 0.00 0.46 0.00 0.00 57.72 54.13 1wln n HIS 60 Cb 0.36 -1.26 0.00 0.00 -0.12 0.00 0.00 29.99 28.97 1wln n HIS 60 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1wln n HIS 61 N 2.22 0.00 -3.96 1.57 -0.00 -0.60 -3.26 115.22 111.20 1wln n HIS 61 Ca 0.23 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.32 1wln n HIS 61 Cb 0.37 -0.47 -0.05 0.00 -0.12 0.00 0.00 29.99 29.72 1wln n HIS 61 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wln s ASP 63 N -2.99 2.35 -0.34 0.00 1.01 -0.06 0.19 116.67 116.82 1wln s ASP 63 Ca 0.20 -0.38 -0.22 0.00 0.71 0.00 0.00 52.55 52.85 1wln s ASP 63 Cb -0.00 -0.99 0.00 0.00 1.01 0.00 0.00 42.92 42.94 1wln s ASP 63 CO 0.06 -0.06 0.74 -0.76 0.21 0.00 0.00 175.17 175.36 1wln s LEU 64 N 1.42 4.14 -0.22 1.23 2.01 0.33 -3.26 118.68 124.33 1wln s LEU 64 Ca 0.01 0.40 -0.02 0.00 0.01 0.00 0.00 54.13 54.53 1wln s LEU 64 Cb -0.13 -2.98 0.01 0.00 0.01 0.00 0.00 46.19 43.10 1wln s LEU 64 CO -0.07 -0.66 -0.10 -0.89 1.01 0.00 0.00 176.35 175.65 1wln s THR 65 N 2.95 2.81 -0.50 5.49 2.01 -1.26 0.14 115.64 127.29 1wln s THR 65 Ca 0.30 -0.81 -0.20 0.00 0.31 0.00 0.00 61.69 61.29 1wln s THR 65 Cb -0.14 -2.31 0.05 0.00 0.01 0.00 0.00 72.50 70.11 1wln s THR 65 CO 0.15 0.38 0.67 0.21 -0.69 0.00 0.00 174.62 175.34 1wln s ASN 66 N 1.37 6.26 -0.40 3.53 2.47 -1.25 -3.21 114.94 123.70 1wln s ASN 66 Ca 0.04 -0.70 0.03 0.00 0.42 0.00 0.00 52.86 52.64 1wln s ASN 66 Cb -0.15 -2.32 0.11 0.00 -1.45 0.00 0.00 41.25 37.45 1wln s ASN 66 CO -0.07 -0.91 0.13 -0.04 -3.72 0.00 0.00 177.10 172.50 1wln s MET 67 N 2.85 1.70 -0.49 0.43 -1.94 0.50 -4.52 119.30 117.84 1wln s MET 67 Ca 0.19 -2.06 -0.01 0.00 -1.71 0.00 0.00 55.69 52.10 1wln s MET 67 Cb -0.17 -3.31 -0.01 0.00 2.01 0.00 0.00 34.83 33.36 1wln s MET 67 CO 0.14 -1.00 0.45 -0.25 -0.01 0.00 0.00 175.02 174.36 1wln n ASP 68 N 4.02 -5.52 -2.10 3.03 9.92 -1.26 -3.01 116.55 121.63 1wln n ASP 68 Ca 0.04 -0.10 -0.06 0.00 -0.53 0.00 0.00 54.79 54.13 1wln n ASP 68 Cb 0.40 -3.65 -0.01 0.00 -0.64 0.00 0.00 41.12 37.21 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 -1.46 -0.18 3.02 0.44 0.00 -1.26 -4.89 105.19 100.87 1wln n GLY 69 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.10 0.95 -0.02 1.61 1.01 -1.16 -5.06 120.40 115.63 1wln s VAL 70 Ca 0.00 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1wln s VAL 70 Cb 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1wln s VAL 70 CO 0.00 0.29 -0.19 -0.69 0.00 0.00 0.00 175.10 174.51 1wln s VAL 71 N 0.29 1.55 -0.07 2.92 1.01 -1.26 0.19 120.40 125.03 1wln s VAL 71 Ca -0.06 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1wln s VAL 71 Cb -0.11 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1wln s VAL 71 CO 0.01 0.44 -0.04 0.42 0.00 0.00 0.00 175.10 175.93 1wln s THR 72 N -0.37 0.61 -0.01 3.92 -4.23 -1.20 0.45 115.64 114.81 1wln s THR 72 Ca 0.05 -0.10 -0.30 0.00 -1.18 0.00 0.00 61.69 60.16 1wln s THR 72 Cb -0.08 -0.67 -0.05 0.00 1.34 0.00 0.00 72.50 73.03 1wln s THR 72 CO -0.00 0.27 1.43 0.54 -0.54 0.00 0.00 174.62 176.32 1wln s VAL 73 N 1.36 3.69 -0.29 2.29 0.11 -0.18 -3.98 120.40 123.39 1wln s VAL 73 Ca -0.04 1.05 0.02 0.00 -2.93 0.00 0.00 61.98 60.09 1wln s VAL 73 Cb -0.13 -3.67 0.08 0.00 -1.53 0.00 0.00 36.38 31.12 1wln s VAL 73 CO -0.03 -0.01 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.83 1wln s THR 74 N 2.58 1.89 -0.31 5.04 2.01 -1.20 -1.58 115.64 124.06 1wln s THR 74 Ca 0.65 -1.75 -0.29 0.00 0.31 0.00 0.00 61.69 60.61 1wln s THR 74 Cb -0.32 -2.22 -0.00 0.00 0.01 0.00 0.00 72.50 69.97 1wln s THR 74 CO 0.26 -0.33 1.36 -2.16 -0.69 0.00 0.00 174.62 173.06 1wln s PRO 75 N 1.17 3.84 0.37 4.92 0.04 -1.26 -0.88 135.00 143.20 1wln s PRO 75 Ca 0.01 1.23 0.20 0.00 0.04 0.00 0.00 61.00 62.48 1wln s PRO 75 Cb -0.19 -3.92 0.29 0.00 0.04 0.00 0.00 34.50 30.72 1wln s PRO 75 CO -0.09 -1.22 1.56 0.00 0.04 0.00 0.00 177.00 177.29 1wln h ARG 76 N 9.71 0.00 -4.91 4.56 2.47 -1.30 -3.44 114.38 121.47 1wln h ARG 76 Ca -0.27 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 57.92 1wln h ARG 76 Cb 1.10 0.00 -0.32 0.00 -1.65 0.00 0.00 29.97 29.10 1wln h ARG 76 CO 1.04 0.26 -0.82 -1.12 0.56 0.00 0.00 179.97 179.89 1wln s SER 77 N -6.31 1.94 0.24 7.04 0.01 -1.20 -5.02 113.70 110.38 1wln s SER 77 Ca 0.05 -0.32 -0.01 0.00 1.31 0.00 0.00 55.95 56.98 1wln s SER 77 Cb 0.07 -0.70 0.27 0.00 0.21 0.00 0.00 66.02 65.86 1wln s SER 77 CO 0.70 0.09 1.64 0.24 0.41 0.00 0.00 173.24 176.33 1wln h MET 78 N 6.58 0.60 -0.97 12.44 2.86 -1.92 -2.82 114.93 131.69 1wln h MET 78 Ca -0.31 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.07 1wln h MET 78 Cb 1.18 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.78 1wln h MET 78 CO 0.48 0.83 0.62 -0.44 1.06 0.00 0.00 176.91 179.47 1wln h ASP 79 N 0.52 1.14 -1.49 1.22 5.19 -1.98 -3.38 116.42 117.63 1wln h ASP 79 Ca 0.06 -0.04 -0.40 0.00 -0.62 0.00 0.00 57.03 56.03 1wln h ASP 79 Cb 0.78 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1wln h ASP 79 CO 0.06 0.84 1.28 0.00 -3.12 0.00 0.00 179.24 178.30 1wln s ALA 80 N -6.07 1.66 -0.05 3.45 0.00 -1.07 -4.89 121.76 114.79 1wln s ALA 80 Ca -0.13 -0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.14 1wln s ALA 80 Cb 0.18 -4.38 -0.05 0.00 0.00 0.00 0.00 23.12 18.86 1wln s ALA 80 CO 0.82 -4.53 1.63 -1.21 0.00 0.00 0.00 175.76 172.47 1wln s GLU 81 N 7.92 4.19 -0.22 0.00 8.01 -1.26 -4.87 118.70 132.46 1wln s GLU 81 Ca 0.86 2.16 -0.00 0.00 0.01 0.00 0.00 54.97 58.00 1wln s GLU 81 Cb -0.14 -3.96 0.06 0.00 -4.31 0.00 0.00 34.13 25.78 1wln s GLU 81 CO 0.20 -0.83 -0.03 0.99 0.01 0.00 0.00 175.26 175.60 1wln s THR 82 N 3.94 1.24 -0.23 3.63 2.01 -1.26 -2.44 115.64 122.53 1wln s THR 82 Ca 0.72 -1.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 1wln s THR 82 Cb -0.33 -1.57 0.00 0.00 0.01 0.00 0.00 72.50 70.62 1wln s THR 82 CO 0.29 -0.12 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.73 1wln s TYR 83 N 1.53 2.98 -0.85 4.92 2.02 -0.93 -2.16 117.35 124.86 1wln s TYR 83 Ca -0.04 -1.18 -0.18 0.00 -0.37 0.00 0.00 57.07 55.30 1wln s TYR 83 Cb -0.18 -2.08 0.14 0.00 -0.40 0.00 0.00 41.96 39.44 1wln s TYR 83 CO -0.07 -0.63 0.99 0.08 -1.57 0.00 0.00 175.55 174.36 1wln s VAL 84 N 1.42 4.91 0.00 0.71 1.01 0.35 -0.51 120.40 128.29 1wln s VAL 84 Ca 0.04 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.39 1wln s VAL 84 Cb -0.15 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.56 1wln s VAL 84 CO -0.04 -1.36 0.00 -0.67 0.00 0.00 0.00 175.10 173.03 1wln n ASP 85 N 6.03 -1.70 -0.16 3.32 2.03 0.21 -3.45 116.55 122.83 1wln n ASP 85 Ca 0.16 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.45 1wln n ASP 85 Cb 0.48 -0.48 -0.01 0.00 -0.72 0.00 0.00 41.12 40.38 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 -0.61 0.55 2.93 0.27 0.00 -1.25 -4.93 105.19 102.15 1wln n GLY 86 Ca 0.00 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.95 1.66 0.67 1.61 -0.21 -1.22 -5.03 119.66 115.17 1wln s GLN 87 Ca 0.00 -0.58 -0.16 0.00 0.02 0.00 0.00 55.36 54.65 1wln s GLN 87 Cb 0.00 -2.08 0.00 0.00 1.00 0.00 0.00 33.01 31.94 1wln s GLN 87 CO 0.00 -0.40 1.14 0.50 -2.12 0.00 0.00 175.29 174.41 1wln s ARG 88 N 1.57 2.68 0.35 2.91 3.52 -1.26 0.13 118.95 128.85 1wln s ARG 88 Ca 0.01 1.53 0.09 0.00 -0.13 0.00 0.00 55.73 57.22 1wln s ARG 88 Cb -0.15 -1.92 -0.07 0.00 -1.56 0.00 0.00 34.95 31.25 1wln s ARG 88 CO -0.08 -1.37 -0.07 0.96 -0.81 0.00 0.00 175.30 173.93 1wln s ILE 89 N -2.16 2.12 -0.00 4.11 -4.36 -0.92 -4.83 121.20 115.16 1wln s ILE 89 Ca 0.70 -2.15 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 1wln s ILE 89 Cb -0.23 -2.71 0.00 0.00 1.25 0.00 0.00 42.46 40.77 1wln s ILE 89 CO 0.41 -0.16 0.63 -1.20 0.24 0.00 0.00 174.94 174.85 1wln n SER 90 N -0.81 0.46 -2.48 4.36 7.64 -1.26 -4.89 113.62 116.65 1wln n SER 90 Ca -0.05 -1.26 0.02 0.00 1.01 0.00 0.00 58.87 58.59 1wln n SER 90 Cb 0.64 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.84 1wln n SER 90 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1wln n GLU 91 N -0.12 0.01 -1.47 1.43 0.28 -1.26 -5.02 120.64 114.48 1wln n GLU 91 Ca 0.00 -0.26 -0.47 0.00 -0.16 0.00 0.00 57.16 56.27 1wln n GLU 91 Cb 0.45 0.51 -0.07 0.00 1.43 0.00 0.00 31.44 33.75 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 -0.48 0.12 -3.95 3.84 -1.04 -1.25 -4.71 114.28 106.81 1wln n THR 92 Ca 0.03 -0.33 -0.35 0.00 -2.04 0.00 0.00 64.05 61.37 1wln n THR 92 Cb 0.28 -1.73 -0.14 0.00 -1.82 0.00 0.00 70.33 66.92 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 8.42 3.07 0.31 12.58 2.01 -0.61 -4.91 115.64 136.50 1wln s THR 93 Ca 1.11 -0.69 -0.28 0.00 0.31 0.00 0.00 61.69 62.13 1wln s THR 93 Cb -0.77 -2.43 -0.13 0.00 0.01 0.00 0.00 72.50 69.18 1wln s THR 93 CO 0.45 0.38 1.17 0.80 -0.69 0.00 0.00 174.62 176.72 1wln n MET 94 N 4.74 1.75 -4.29 4.92 1.56 -1.26 -1.01 117.12 123.54 1wln n MET 94 Ca -0.18 0.62 -0.33 0.00 -0.27 0.00 0.00 57.70 57.53 1wln n MET 94 Cb 0.50 -2.11 -0.09 0.00 2.15 0.00 0.00 33.22 33.67 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 -0.25 3.56 0.12 -0.89 1.43 0.17 -4.83 118.68 118.00 1wln s LEU 95 Ca 0.58 0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.78 1wln s LEU 95 Cb -0.64 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1wln s LEU 95 CO 0.60 0.30 -0.14 -1.10 0.23 0.00 0.00 176.35 176.24 1wln s GLN 96 N -1.42 1.03 0.10 1.70 -0.21 -1.26 -4.55 119.66 115.05 1wln s GLN 96 Ca 0.18 -1.24 -0.31 0.00 0.02 0.00 0.00 55.36 54.02 1wln s GLN 96 Cb -0.12 -0.91 -0.10 0.00 1.00 0.00 0.00 33.01 32.89 1wln s GLN 96 CO 0.09 0.18 1.76 -1.54 -2.12 0.00 0.00 175.29 173.65 1wln s SER 97 N -2.45 6.50 0.00 5.90 1.04 -1.26 -1.73 113.70 121.70 1wln s SER 97 Ca 0.09 2.65 0.00 0.00 0.48 0.00 0.00 55.95 59.17 1wln s SER 97 Cb -0.05 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1wln s SER 97 CO 0.03 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1wln n GLY 98 N 4.14 2.46 3.68 7.32 0.00 0.22 -4.95 105.19 118.05 1wln n GLY 98 Ca 0.17 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.31 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 2.14 -2.78 1.61 2.00 -0.71 -4.68 117.12 114.71 1wln n MET 99 Ca 0.00 0.76 -0.26 0.00 0.00 0.00 0.00 57.70 58.20 1wln n MET 99 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 33.22 30.79 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 -0.50 3.42 -0.20 0.03 0.52 -1.26 -1.72 118.95 119.23 1wln s ARG 100 Ca 0.67 0.01 -0.04 0.00 -0.52 0.00 0.00 55.73 55.85 1wln s ARG 100 Cb -0.62 -2.44 0.07 0.00 0.52 0.00 0.00 34.95 32.48 1wln s ARG 100 CO 0.50 -0.20 0.09 -0.51 0.02 0.00 0.00 175.30 175.20 1wln s LEU 101 N -4.67 0.58 -0.32 2.53 1.43 0.53 0.65 118.68 119.40 1wln s LEU 101 Ca 0.47 -0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 52.60 1wln s LEU 101 Cb -0.10 -0.34 -0.02 0.00 0.03 0.00 0.00 46.19 45.76 1wln s LEU 101 CO 0.43 -0.36 0.40 -1.58 0.23 0.00 0.00 176.35 175.46 1wln s GLN 102 N 2.07 3.71 -0.38 1.70 0.74 0.34 0.35 119.66 128.19 1wln s GLN 102 Ca 0.03 -0.23 -0.07 0.00 0.05 0.00 0.00 55.36 55.14 1wln s GLN 102 Cb -0.16 -3.76 0.07 0.00 1.10 0.00 0.00 33.01 30.25 1wln s GLN 102 CO -0.15 -0.48 0.18 -0.06 -0.55 0.00 0.00 175.29 174.23 1wln s PHE 103 N 2.11 3.34 -0.86 1.67 0.08 0.18 -2.18 117.98 122.31 1wln s PHE 103 Ca 0.14 -1.63 -0.03 0.00 0.12 0.00 0.00 56.93 55.53 1wln s PHE 103 Cb -0.16 -2.68 0.00 0.00 -0.57 0.00 0.00 43.02 39.61 1wln s PHE 103 CO 0.11 -0.82 0.35 0.41 -0.10 0.00 0.00 175.22 175.17 1wln n GLY 104 N 4.81 0.02 4.08 4.36 0.00 -1.02 -1.86 105.19 115.57 1wln n GLY 104 Ca -0.10 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 1wln n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wln n THR 105 N -3.94 -1.76 0.00 2.61 -2.24 -1.26 -4.54 114.28 103.15 1wln n THR 105 Ca -0.06 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1wln n THR 105 Cb 0.57 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 1wln n THR 105 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1wln n SER 106 N -2.06 0.00 -4.31 3.42 3.41 -1.22 -5.05 113.62 107.81 1wln n SER 106 Ca -0.17 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 57.98 1wln n SER 106 Cb 0.54 0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.59 1wln n SER 106 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1wln s HIS 107 N -1.39 3.56 -0.13 7.33 4.02 -0.78 -4.68 115.29 123.22 1wln s HIS 107 Ca 0.00 -1.79 -0.10 0.00 1.02 0.00 0.00 55.06 54.19 1wln s HIS 107 Cb 0.00 -3.77 -0.05 0.00 -1.02 0.00 0.00 32.58 27.75 1wln s HIS 107 CO 0.00 -0.99 0.22 0.08 1.02 0.00 0.00 174.74 175.06 1wln s VAL 108 N 0.70 5.36 0.07 -0.90 1.01 -1.26 0.47 120.40 125.86 1wln s VAL 108 Ca 0.12 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1wln s VAL 108 Cb -0.18 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1wln s VAL 108 CO -0.04 0.52 -0.08 -0.36 0.00 0.00 0.00 175.10 175.14 1wln s PHE 109 N -0.40 0.83 -0.19 5.22 0.40 0.16 0.14 117.98 124.13 1wln s PHE 109 Ca 0.15 -0.69 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 1wln s PHE 109 Cb -0.13 -0.48 0.02 0.00 0.51 0.00 0.00 43.02 42.94 1wln s PHE 109 CO 0.04 -0.10 -0.16 0.21 0.70 0.00 0.00 175.22 175.91 1wln s LYS 110 N -2.66 3.03 0.00 0.44 2.36 -0.35 0.20 119.74 122.75 1wln s LYS 110 Ca 0.01 -0.82 -0.23 0.00 -2.55 0.00 0.00 55.97 52.38 1wln s LYS 110 Cb -0.03 -2.67 -0.05 0.00 -1.05 0.00 0.00 37.83 34.03 1wln s LYS 110 CO -0.02 -0.23 0.69 0.12 1.55 0.00 0.00 175.35 177.46 1wln s PHE 111 N 1.32 3.68 0.01 4.03 2.19 -0.70 -0.27 117.98 128.24 1wln s PHE 111 Ca 0.04 1.32 0.03 0.00 0.33 0.00 0.00 56.93 58.66 1wln s PHE 111 Cb -0.14 -2.74 -0.01 0.00 -1.31 0.00 0.00 43.02 38.82 1wln s PHE 111 CO -0.11 0.26 -0.11 0.08 1.83 0.00 0.00 175.22 177.18 1wln s VAL 112 N 0.09 0.83 -0.36 3.12 1.01 -0.53 0.69 120.40 125.25 1wln s VAL 112 Ca 0.36 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1wln s VAL 112 Cb -0.19 -0.74 0.08 0.00 0.00 0.00 0.00 36.38 35.53 1wln s VAL 112 CO 0.20 0.07 0.12 -0.62 0.00 0.00 0.00 175.10 174.87 1wln s ASP 113 N -0.67 5.14 0.16 3.32 2.15 -1.26 -2.08 116.67 123.42 1wln s ASP 113 Ca 0.01 -1.64 0.24 0.00 0.43 0.00 0.00 52.55 51.59 1wln s ASP 113 Cb -0.06 -1.79 0.91 0.00 -0.30 0.00 0.00 42.92 41.68 1wln s ASP 113 CO 0.00 -0.41 1.73 -0.81 -0.17 0.00 0.00 175.17 175.51 1wln n PRO 114 N 4.63 0.15 -0.05 4.34 -0.04 -1.26 -3.26 135.00 139.52 1wln n PRO 114 Ca -0.07 0.25 -0.10 0.00 -0.04 0.00 0.00 63.50 63.54 1wln n PRO 114 Cb 0.42 -1.73 -0.04 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.25 -1.69 3.54 0.87 -1.85 -3.47 113.55 111.20 1wln h SER 115 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1wln h SER 115 Cb 0.49 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1wln h SER 115 CO 0.00 0.22 0.00 0.61 -0.53 0.00 0.00 176.83 177.13 1wln n GLY 116 N -1.04 3.66 3.03 5.77 0.00 -1.20 -4.92 105.19 110.49 1wln n GLY 116 Ca -0.03 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 1wln n GLY 116 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wln n PRO 117 N -0.55 2.19 -2.94 1.61 -0.04 -1.26 -4.51 135.00 129.50 1wln n PRO 117 Ca 0.00 -2.31 -0.03 0.00 -0.04 0.00 0.00 63.50 61.11 1wln n PRO 117 Cb 0.00 -3.18 0.00 0.00 -0.04 0.00 0.00 33.50 30.29 1wln n PRO 117 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wln n SER 118 N 7.56 -7.38 -1.34 3.54 2.88 -1.26 -4.77 113.62 112.85 1wln n SER 118 Ca 0.50 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.94 1wln n SER 118 Cb 0.41 -3.84 0.00 0.00 -0.75 0.00 0.00 64.21 60.03 1wln n SER 118 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wln n SER 119 N 0.75 -7.35 0.00 -3.46 2.88 -1.26 -5.29 113.62 99.89 1wln n SER 119 Ca 0.01 1.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1wln n SER 119 Cb 0.26 -4.00 0.00 0.00 -0.75 0.00 0.00 64.21 59.72 1wln n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42