#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 4.61 0.21 1.61 1.04 -1.26 -4.96 113.70 114.95 1wln s SER 2 Ca 0.00 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1wln s SER 2 Cb 0.00 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.53 1wln s SER 2 CO 0.00 0.22 0.00 -1.20 0.98 0.00 0.00 173.24 173.24 1wln n SER 3 N 3.18 0.12 0.00 7.02 7.64 -1.26 -5.15 113.62 125.17 1wln n SER 3 Ca -0.18 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1wln n SER 3 Cb 0.53 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 1wln n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wln n GLY 4 N 1.99 2.70 3.90 0.23 0.00 -1.26 -5.17 105.19 107.59 1wln n GLY 4 Ca 0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 5.00 -0.27 1.61 0.01 -1.26 -5.05 113.70 113.74 1wln s SER 5 Ca 0.00 0.81 -0.02 0.00 1.31 0.00 0.00 55.95 58.05 1wln s SER 5 Cb 0.00 -1.50 0.12 0.00 0.21 0.00 0.00 66.02 64.85 1wln s SER 5 CO 0.00 -1.56 0.24 -0.55 0.41 0.00 0.00 173.24 171.78 1wln s SER 6 N -4.46 2.04 0.25 2.44 0.15 -1.26 -5.03 113.70 107.84 1wln s SER 6 Ca 0.59 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1wln s SER 6 Cb -0.11 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1wln s SER 6 CO 0.48 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1wln n GLY 7 N 5.30 1.13 0.22 9.45 0.00 -1.26 -5.00 105.19 115.02 1wln n GLY 7 Ca -0.04 -2.01 0.10 0.00 0.00 0.00 0.00 46.02 44.08 1wln n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wln h PRO 8 N 0.00 0.00 -1.47 1.61 0.13 -2.01 -3.18 132.00 127.08 1wln h PRO 8 Ca 0.00 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.42 1wln h PRO 8 Cb 0.00 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 30.83 1wln h PRO 8 CO 0.00 0.18 0.74 -0.85 -0.23 0.00 0.00 178.00 177.84 1wln n GLU 9 N -3.23 2.83 -0.97 0.86 0.28 -1.26 -4.15 120.64 115.00 1wln n GLU 9 Ca 0.01 -3.54 -0.05 0.00 -0.16 0.00 0.00 57.16 53.43 1wln n GLU 9 Cb 0.49 -2.28 -0.04 0.00 1.43 0.00 0.00 31.44 31.04 1wln n GLU 9 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1wln n LYS 10 N -0.71 0.07 -3.61 3.44 5.02 -1.20 -4.96 118.16 116.22 1wln n LYS 10 Ca 0.56 -0.76 -0.27 0.00 -2.02 0.00 0.00 58.31 55.82 1wln n LYS 10 Cb 0.49 0.49 -0.03 0.00 -0.02 0.00 0.00 35.03 35.96 1wln n LYS 10 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wln s LEU 11 N -0.21 4.18 0.36 -0.35 1.43 -1.26 -3.47 118.68 119.37 1wln s LEU 11 Ca 0.00 0.46 -0.26 0.00 -1.03 0.00 0.00 54.13 53.30 1wln s LEU 11 Cb 0.02 -3.24 -0.09 0.00 0.03 0.00 0.00 46.19 42.91 1wln s LEU 11 CO -0.01 -0.09 1.06 -2.16 0.23 0.00 0.00 176.35 175.39 1wln s PRO 12 N -3.45 4.33 0.13 1.29 0.04 -1.26 -4.31 135.00 131.77 1wln s PRO 12 Ca 0.39 1.60 0.02 0.00 0.04 0.00 0.00 61.00 63.05 1wln s PRO 12 Cb -0.11 -2.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 1wln s PRO 12 CO 0.30 -0.01 -0.04 1.52 0.04 0.00 0.00 177.00 178.80 1wln s TYR 13 N -1.49 1.02 -0.29 0.56 1.13 -1.08 0.19 117.35 117.39 1wln s TYR 13 Ca 0.53 -0.96 0.01 0.00 -1.41 0.00 0.00 57.07 55.25 1wln s TYR 13 Cb -0.25 -0.58 0.06 0.00 -1.10 0.00 0.00 41.96 40.09 1wln s TYR 13 CO 0.32 -0.18 -0.05 -0.51 -2.51 0.00 0.00 175.55 172.63 1wln s LEU 14 N -3.10 3.80 -0.52 -3.49 1.43 -0.88 -1.99 118.68 113.93 1wln s LEU 14 Ca 0.17 -1.45 -0.20 0.00 -1.03 0.00 0.00 54.13 51.61 1wln s LEU 14 Cb 0.06 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.71 1wln s LEU 14 CO -0.01 -0.25 0.68 0.54 0.23 0.00 0.00 176.35 177.54 1wln s VAL 15 N 1.13 4.79 0.13 -1.59 0.11 -0.09 -3.21 120.40 121.67 1wln s VAL 15 Ca -0.05 -0.37 -0.35 0.00 -2.93 0.00 0.00 61.98 58.28 1wln s VAL 15 Cb -0.20 -4.34 -0.16 0.00 -1.53 0.00 0.00 36.38 30.14 1wln s VAL 15 CO -0.04 -0.87 1.25 1.21 -3.33 0.00 0.00 175.10 173.33 1wln n GLU 16 N 6.39 1.14 -4.46 1.54 2.13 -0.91 -0.90 120.64 125.58 1wln n GLU 16 Ca -0.05 0.41 -0.25 0.00 0.66 0.00 0.00 57.16 57.93 1wln n GLU 16 Cb 0.46 -1.98 -0.10 0.00 0.27 0.00 0.00 31.44 30.09 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 0.57 2.81 1.14 4.31 1.43 0.35 -4.59 118.68 124.70 1wln s LEU 17 Ca 0.79 -1.09 -0.18 0.00 -1.03 0.00 0.00 54.13 52.62 1wln s LEU 17 Cb -0.91 -1.16 0.15 0.00 0.03 0.00 0.00 46.19 44.31 1wln s LEU 17 CO 0.49 -0.17 0.18 -1.20 0.23 0.00 0.00 176.35 175.88 1wln n SER 18 N -0.83 -2.55 0.00 2.29 7.64 0.15 -3.76 113.62 116.56 1wln n SER 18 Ca -0.05 -0.23 0.11 0.00 1.01 0.00 0.00 58.87 59.72 1wln n SER 18 Cb 0.62 -0.94 0.63 0.00 -1.01 0.00 0.00 64.21 63.51 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 -2.49 0.49 0.00 1.43 -0.04 -1.26 -1.97 135.00 131.16 1wln n PRO 19 Ca 0.02 0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 1wln n PRO 19 Cb 0.57 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.17 0.90 -0.23 3.54 8.00 -1.26 -4.92 116.55 121.41 1wln n ASP 20 Ca 0.14 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1wln n ASP 20 Cb 0.14 0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 1wln n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wln n GLY 21 N 0.95 1.00 3.47 0.44 0.00 -0.83 -5.10 105.19 105.12 1wln n GLY 21 Ca 0.03 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 1wln n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wln s SER 22 N -2.54 3.57 -0.64 1.61 0.01 -1.26 -4.84 113.70 109.62 1wln s SER 22 Ca 0.00 -1.02 0.05 0.00 1.31 0.00 0.00 55.95 56.30 1wln s SER 22 Cb 0.00 -0.30 0.20 0.00 0.21 0.00 0.00 66.02 66.14 1wln s SER 22 CO 0.00 0.05 0.58 -0.90 0.41 0.00 0.00 173.24 173.38 1wln n ASP 23 N -0.55 2.83 -2.79 2.44 5.68 -1.26 0.31 116.55 123.21 1wln n ASP 23 Ca -0.06 -3.20 -0.10 0.00 -0.50 0.00 0.00 54.79 50.93 1wln n ASP 23 Cb 0.60 -0.70 0.06 0.00 -1.14 0.00 0.00 41.12 39.93 1wln n ASP 23 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1wln n SER 24 N 1.58 -0.46 -2.94 -1.12 3.41 -1.26 -4.96 113.62 107.87 1wln n SER 24 Ca 0.25 -2.90 -0.13 0.00 -0.26 0.00 0.00 58.87 55.82 1wln n SER 24 Cb 0.39 0.42 0.02 0.00 -0.26 0.00 0.00 64.21 64.79 1wln n SER 24 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wln n ARG 25 N -0.07 1.03 -0.99 4.33 5.12 -1.26 -5.12 116.66 119.71 1wln n ARG 25 Ca 0.08 -2.86 0.13 0.00 -1.93 0.00 0.00 57.85 53.27 1wln n ARG 25 Cb 0.77 -1.31 -0.03 0.00 -1.16 0.00 0.00 32.46 30.73 1wln n ARG 25 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1wln n ASP 26 N 0.16 -5.88 -4.61 0.55 2.03 -1.26 -4.57 116.55 102.96 1wln n ASP 26 Ca 0.15 0.41 -0.43 0.00 0.52 0.00 0.00 54.79 55.44 1wln n ASP 26 Cb 0.72 -3.01 -0.03 0.00 -0.72 0.00 0.00 41.12 38.08 1wln n ASP 26 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1wln s LYS 27 N -1.90 3.44 0.79 -0.67 3.01 -1.26 -4.96 119.74 118.19 1wln s LYS 27 Ca 0.00 1.78 -0.11 0.00 -1.01 0.00 0.00 55.97 56.63 1wln s LYS 27 Cb 0.00 -4.22 0.07 0.00 -1.01 0.00 0.00 37.83 32.67 1wln s LYS 27 CO 0.00 -1.74 1.09 -1.25 0.51 0.00 0.00 175.35 173.97 1wln s PRO 28 N 5.56 2.14 0.61 -1.68 0.04 -1.26 -5.02 135.00 135.39 1wln s PRO 28 Ca 0.86 0.66 -0.17 0.00 0.04 0.00 0.00 61.00 62.38 1wln s PRO 28 Cb -0.28 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1wln s PRO 28 CO 0.34 -1.59 1.15 0.15 0.04 0.00 0.00 177.00 177.09 1wln s LYS 29 N -5.15 2.96 0.07 4.56 -0.14 -1.26 -4.84 119.74 115.94 1wln s LYS 29 Ca 0.61 1.60 0.05 0.00 -1.36 0.00 0.00 55.97 56.86 1wln s LYS 29 Cb -0.14 -1.95 -0.03 0.00 -1.68 0.00 0.00 37.83 34.02 1wln s LYS 29 CO 0.54 -1.16 -0.14 -1.17 -0.76 0.00 0.00 175.35 172.66 1wln s LEU 30 N -4.35 2.29 -0.28 3.17 1.98 -1.26 -2.13 118.68 118.09 1wln s LEU 30 Ca 0.72 -0.63 -0.01 0.00 -2.89 0.00 0.00 54.13 51.32 1wln s LEU 30 Cb -0.25 -0.49 0.14 0.00 0.66 0.00 0.00 46.19 46.25 1wln s LEU 30 CO 0.35 -0.09 0.32 -0.31 -1.89 0.00 0.00 176.35 174.72 1wln s TYR 31 N -1.38 -0.59 -0.34 5.38 2.02 -1.20 -4.97 117.35 116.28 1wln s TYR 31 Ca -0.01 0.06 -0.29 0.00 -0.37 0.00 0.00 57.07 56.46 1wln s TYR 31 Cb -0.09 -0.34 -0.00 0.00 -0.40 0.00 0.00 41.96 41.12 1wln s TYR 31 CO 0.02 -0.88 1.47 1.03 -1.57 0.00 0.00 175.55 175.62 1wln s ARG 32 N 2.41 3.66 -0.98 -0.62 0.52 -1.26 -2.08 118.95 120.61 1wln s ARG 32 Ca 0.10 1.20 -0.24 0.00 -0.52 0.00 0.00 55.73 56.27 1wln s ARG 32 Cb -0.14 -4.01 -0.01 0.00 0.52 0.00 0.00 34.95 31.30 1wln s ARG 32 CO -0.29 -1.45 1.78 -0.51 0.02 0.00 0.00 175.30 174.85 1wln s LEU 33 N 5.32 3.29 0.72 2.53 1.43 0.50 -4.95 118.68 127.52 1wln s LEU 33 Ca 0.64 -1.09 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 1wln s LEU 33 Cb -0.17 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.50 1wln s LEU 33 CO 0.30 -2.31 1.07 -1.10 0.23 0.00 0.00 176.35 174.54 1wln s GLN 34 N 6.19 2.69 0.83 1.70 -0.21 -1.26 -4.18 119.66 125.41 1wln s GLN 34 Ca 0.62 1.09 -0.17 0.00 0.02 0.00 0.00 55.36 56.91 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 -1.30 -0.56 1.28 -2.12 0.00 0.00 175.29 172.57 1wln n LEU 35 N -3.16 -5.16 0.00 2.90 4.77 -1.26 -4.72 117.00 110.37 1wln n LEU 35 Ca 0.08 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1wln n LEU 35 Cb 0.53 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1wln n LEU 35 CO 0.54 -5.59 0.00 -1.20 -1.33 0.00 0.00 177.39 169.80 1wln n SER 36 N 3.10 0.00 -4.77 -1.43 7.64 -1.26 -4.94 113.62 111.97 1wln n SER 36 Ca 0.02 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.53 1wln n SER 36 Cb 0.53 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.74 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 -2.71 2.89 -0.28 0.44 0.11 -1.26 -4.01 120.40 115.58 1wln s VAL 37 Ca 0.00 0.61 -0.01 0.00 -2.93 0.00 0.00 61.98 59.65 1wln s VAL 37 Cb 0.00 -3.28 0.09 0.00 -1.53 0.00 0.00 36.38 31.65 1wln s VAL 37 CO 0.00 -0.06 0.07 -0.89 -3.33 0.00 0.00 175.10 170.89 1wln s THR 38 N -1.58 0.86 0.21 5.04 2.01 0.34 -4.90 115.64 117.63 1wln s THR 38 Ca 0.70 -1.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 1wln s THR 38 Cb -0.29 -1.54 -0.08 0.00 0.01 0.00 0.00 72.50 70.59 1wln s THR 38 CO 0.34 -0.52 1.17 -1.61 -0.69 0.00 0.00 174.62 173.31 1wln s GLU 39 N 1.65 4.53 0.39 4.92 8.01 -1.26 0.16 118.70 137.09 1wln s GLU 39 Ca 0.06 1.86 0.08 0.00 0.01 0.00 0.00 54.97 56.97 1wln s GLU 39 Cb -0.17 -3.22 -0.05 0.00 -4.31 0.00 0.00 34.13 26.37 1wln s GLU 39 CO -0.20 -0.00 0.16 0.08 0.01 0.00 0.00 175.26 175.31 1wln s VAL 40 N -0.39 2.54 -1.56 2.63 1.01 0.51 -1.94 120.40 123.20 1wln s VAL 40 Ca 0.50 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1wln s VAL 40 Cb -0.32 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1wln s VAL 40 CO 0.38 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1wln n GLY 41 N -1.20 0.40 0.47 4.51 0.00 -0.99 -0.89 105.19 107.49 1wln n GLY 41 Ca -0.02 -1.76 0.04 0.00 0.00 0.00 0.00 46.02 44.29 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 2.81 0.83 -3.56 2.61 -2.24 -0.36 0.18 114.28 114.55 1wln n THR 42 Ca 0.00 -0.91 -0.23 0.00 -2.27 0.00 0.00 64.05 60.64 1wln n THR 42 Cb 0.00 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 -0.95 2.38 -0.22 -0.78 0.41 -1.21 -4.81 118.70 113.51 1wln s GLU 43 Ca 0.17 -1.74 -0.00 0.00 -0.41 0.00 0.00 54.97 52.98 1wln s GLU 43 Cb 0.09 -2.34 0.06 0.00 -1.78 0.00 0.00 34.13 30.16 1wln s GLU 43 CO 0.12 -0.51 -0.03 0.21 -0.49 0.00 0.00 175.26 174.56 1wln s LYS 44 N -4.31 1.34 -0.03 1.61 2.36 -1.26 -4.62 119.74 114.83 1wln s LYS 44 Ca 0.46 -0.82 -0.03 0.00 -2.55 0.00 0.00 55.97 53.02 1wln s LYS 44 Cb -0.04 -2.45 -0.01 0.00 -1.05 0.00 0.00 37.83 34.29 1wln s LYS 44 CO 0.28 -0.61 -0.07 1.19 1.55 0.00 0.00 175.35 177.69 1wln n PHE 45 N 4.78 0.00 -0.88 4.03 3.01 -1.26 -5.05 117.46 122.08 1wln n PHE 45 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1wln n PHE 45 Cb 0.45 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 1wln n PHE 45 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1wln n ASP 46 N -2.94 0.00 0.02 4.37 -0.08 -1.26 -5.01 116.55 111.66 1wln n ASP 46 Ca -0.03 -0.84 -0.19 0.00 -1.51 0.00 0.00 54.79 52.23 1wln n ASP 46 Cb 0.10 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.42 1wln n ASP 46 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1wln h ASP 47 N 0.00 0.41 -2.30 1.67 1.82 -1.96 -3.36 116.42 112.69 1wln h ASP 47 Ca 0.00 -0.92 -0.64 0.00 -0.39 0.00 0.00 57.03 55.08 1wln h ASP 47 Cb 0.00 -0.13 -0.39 0.00 0.68 0.00 0.00 39.33 39.49 1wln h ASP 47 CO 0.00 1.29 -0.25 0.59 -1.61 0.00 0.00 179.24 179.27 1wln n ASN 48 N -4.22 4.95 -4.86 2.28 4.13 -1.26 -5.05 115.26 111.23 1wln n ASN 48 Ca -0.13 -3.62 -0.32 0.00 1.68 0.00 0.00 54.58 52.19 1wln n ASN 48 Cb 0.74 -0.74 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 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 -2.78 6.73 -0.32 6.41 1.04 -1.26 -4.92 113.70 118.60 1wln s SER 49 Ca 0.44 1.16 -0.29 0.00 0.48 0.00 0.00 55.95 57.74 1wln s SER 49 Cb 0.22 -2.32 -0.00 0.00 0.10 0.00 0.00 66.02 64.02 1wln s SER 49 CO -0.09 -0.15 1.38 -0.63 0.98 0.00 0.00 173.24 174.73 1wln s ILE 50 N -1.91 4.00 -0.29 -1.02 1.01 -0.82 -4.98 121.20 117.20 1wln s ILE 50 Ca 0.51 1.10 -0.07 0.00 0.00 0.00 0.00 60.65 62.20 1wln s ILE 50 Cb -0.11 -4.10 0.01 0.00 0.01 0.00 0.00 42.46 38.27 1wln s ILE 50 CO 0.19 -0.53 0.07 -1.58 0.00 0.00 0.00 174.94 173.09 1wln s GLN 51 N 4.47 3.14 0.30 2.79 0.74 -1.26 -2.34 119.66 127.51 1wln s GLN 51 Ca 0.60 -0.82 0.05 0.00 0.05 0.00 0.00 55.36 55.24 1wln s GLN 51 Cb -0.17 -3.35 -0.06 0.00 1.10 0.00 0.00 33.01 30.53 1wln s GLN 51 CO 0.27 -0.41 0.00 -0.51 -0.55 0.00 0.00 175.29 174.08 1wln s LEU 52 N 1.50 2.35 -0.11 3.68 1.43 0.49 -4.97 118.68 123.05 1wln s LEU 52 Ca 0.03 -1.28 -0.04 0.00 -1.03 0.00 0.00 54.13 51.80 1wln s LEU 52 Cb -0.17 -0.50 0.05 0.00 0.03 0.00 0.00 46.19 45.60 1wln s LEU 52 CO 0.02 -0.48 0.22 -0.36 0.23 0.00 0.00 176.35 175.98 1wln s PHE 53 N -3.16 -0.32 0.12 0.29 0.08 -1.26 -3.58 117.98 110.14 1wln s PHE 53 Ca 0.33 0.81 -0.24 0.00 0.12 0.00 0.00 56.93 57.95 1wln s PHE 53 Cb 0.06 -0.09 0.07 0.00 -0.57 0.00 0.00 43.02 42.49 1wln s PHE 53 CO 0.13 -0.30 0.60 0.20 -0.10 0.00 0.00 175.22 175.76 1wln s GLY 54 N 2.12 -0.59 -0.97 4.36 0.00 -1.26 -5.04 107.32 105.94 1wln s GLY 54 Ca -0.01 0.62 -0.24 0.00 0.00 0.00 0.00 44.72 45.10 1wln s GLY 54 CO -0.08 0.29 1.70 2.56 0.00 0.00 0.00 173.10 177.57 1wln s PRO 55 N -3.24 3.08 0.00 2.90 0.04 -1.26 -1.92 135.00 134.60 1wln s PRO 55 Ca -0.01 -0.73 0.00 0.00 0.04 0.00 0.00 61.00 60.30 1wln s PRO 55 Cb -0.01 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.32 1wln s PRO 55 CO -0.08 -2.79 0.00 0.41 0.04 0.00 0.00 177.00 174.57 1wln n GLY 56 N 6.84 0.43 3.83 0.56 0.00 -1.26 -4.91 105.19 110.68 1wln n GLY 56 Ca 0.37 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.01 4.40 0.50 -0.61 -1.09 -0.81 -4.88 121.20 117.69 1wln s ILE 57 Ca 0.00 1.30 0.05 0.00 -2.23 0.00 0.00 60.65 59.77 1wln s ILE 57 Cb 0.00 -3.64 -0.00 0.00 -1.58 0.00 0.00 42.46 37.24 1wln s ILE 57 CO 0.00 -0.51 0.24 -1.10 -1.23 0.00 0.00 174.94 172.33 1wln s GLN 58 N -3.68 2.24 -0.07 2.79 -1.52 -1.26 -4.90 119.66 113.25 1wln s GLN 58 Ca 0.61 -2.06 -0.21 0.00 -1.95 0.00 0.00 55.36 51.76 1wln s GLN 58 Cb -0.10 -1.93 -0.16 0.00 -0.22 0.00 0.00 33.01 30.60 1wln s GLN 58 CO 0.24 -0.40 0.77 -1.00 -0.25 0.00 0.00 175.29 174.65 1wln h PRO 59 N 1.10 -0.13 -3.28 2.91 0.13 -1.92 -0.94 132.00 129.88 1wln h PRO 59 Ca -0.40 0.01 -0.76 0.00 -0.87 0.00 0.00 66.00 63.98 1wln h PRO 59 Cb 1.29 0.03 -0.31 0.00 0.13 0.00 0.00 31.00 32.14 1wln h PRO 59 CO 0.65 0.38 0.27 1.58 -0.23 0.00 0.00 178.00 180.65 1wln n HIS 60 N -4.83 4.28 0.00 1.56 -0.00 -1.26 -3.12 115.22 111.85 1wln n HIS 60 Ca -0.07 -3.76 0.00 0.00 0.46 0.00 0.00 57.72 54.34 1wln n HIS 60 Cb 0.28 -1.36 0.00 0.00 -0.12 0.00 0.00 29.99 28.79 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 2.19 0.00 -3.94 1.57 -0.00 -0.07 -3.20 115.22 111.76 1wln n HIS 61 Ca 0.24 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.32 1wln n HIS 61 Cb 0.37 -0.45 -0.07 0.00 -0.12 0.00 0.00 29.99 29.73 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 -2.97 3.38 -0.39 0.00 1.01 0.02 0.19 116.67 117.91 1wln s ASP 63 Ca 0.17 -0.85 -0.25 0.00 0.71 0.00 0.00 52.55 52.34 1wln s ASP 63 Cb 0.02 -1.33 0.02 0.00 1.01 0.00 0.00 42.92 42.65 1wln s ASP 63 CO 0.01 -0.11 0.89 -0.76 0.21 0.00 0.00 175.17 175.41 1wln s LEU 64 N 1.34 4.04 -0.19 1.23 2.01 0.42 -3.62 118.68 123.91 1wln s LEU 64 Ca -0.00 0.38 -0.02 0.00 0.01 0.00 0.00 54.13 54.51 1wln s LEU 64 Cb -0.16 -3.18 -0.00 0.00 0.01 0.00 0.00 46.19 42.87 1wln s LEU 64 CO -0.09 -0.88 -0.11 -0.89 1.01 0.00 0.00 176.35 175.39 1wln s THR 65 N 3.45 2.89 -0.48 5.49 2.01 -1.26 0.13 115.64 127.87 1wln s THR 65 Ca 0.36 -0.67 -0.19 0.00 0.31 0.00 0.00 61.69 61.50 1wln s THR 65 Cb -0.12 -2.27 0.05 0.00 0.01 0.00 0.00 72.50 70.17 1wln s THR 65 CO 0.20 0.48 0.59 0.21 -0.69 0.00 0.00 174.62 175.41 1wln s ASN 66 N 1.19 6.23 -0.37 3.53 2.47 -1.25 -3.30 114.94 123.43 1wln s ASN 66 Ca 0.02 -0.83 0.03 0.00 0.42 0.00 0.00 52.86 52.50 1wln s ASN 66 Cb -0.14 -2.28 0.11 0.00 -1.45 0.00 0.00 41.25 37.48 1wln s ASN 66 CO -0.04 -0.82 0.10 -0.04 -3.72 0.00 0.00 177.10 172.57 1wln s MET 67 N 2.53 1.62 -0.66 0.43 -1.94 0.46 -4.46 119.30 117.29 1wln s MET 67 Ca 0.15 -1.96 -0.03 0.00 -1.71 0.00 0.00 55.69 52.14 1wln s MET 67 Cb -0.18 -3.28 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 1wln s MET 67 CO 0.13 -0.98 0.58 -3.47 -0.01 0.00 0.00 175.02 171.27 1wln n ASP 68 N 4.17 -5.09 -1.80 3.03 -0.08 -1.26 -2.72 116.55 112.81 1wln n ASP 68 Ca 0.03 -0.41 -0.13 0.00 -1.51 0.00 0.00 54.79 52.77 1wln n ASP 68 Cb 0.41 -3.57 -0.04 0.00 2.34 0.00 0.00 41.12 40.26 1wln n ASP 68 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wln n GLY 69 N -1.34 0.59 3.15 0.27 0.00 -1.26 -4.92 105.19 101.67 1wln n GLY 69 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.34 1.46 -0.03 1.61 1.01 -1.10 -5.05 120.40 115.95 1wln s VAL 70 Ca 0.00 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.28 1wln s VAL 70 Cb 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 1wln s VAL 70 CO 0.00 0.42 -0.18 -0.69 0.00 0.00 0.00 175.10 174.65 1wln s VAL 71 N -0.07 1.44 -0.10 2.92 1.01 -1.26 0.18 120.40 124.52 1wln s VAL 71 Ca -0.02 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 1wln s VAL 71 Cb -0.11 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.08 1wln s VAL 71 CO 0.02 0.41 -0.05 0.42 0.00 0.00 0.00 175.10 175.90 1wln s THR 72 N -0.13 0.83 0.02 3.92 -4.23 -1.21 0.02 115.64 114.86 1wln s THR 72 Ca -0.00 -0.17 -0.30 0.00 -1.18 0.00 0.00 61.69 60.04 1wln s THR 72 Cb -0.10 -0.89 -0.06 0.00 1.34 0.00 0.00 72.50 72.79 1wln s THR 72 CO 0.01 0.33 1.50 0.54 -0.54 0.00 0.00 174.62 176.47 1wln s VAL 73 N 1.76 3.47 -0.24 2.29 0.11 0.28 -4.16 120.40 123.91 1wln s VAL 73 Ca 0.04 0.87 -0.00 0.00 -2.93 0.00 0.00 61.98 59.96 1wln s VAL 73 Cb -0.13 -3.56 0.07 0.00 -1.53 0.00 0.00 36.38 31.23 1wln s VAL 73 CO -0.07 -0.01 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.79 1wln s THR 74 N 2.57 1.28 -0.33 5.04 2.01 -1.24 -0.10 115.64 124.88 1wln s THR 74 Ca 0.68 -1.17 -0.29 0.00 0.31 0.00 0.00 61.69 61.22 1wln s THR 74 Cb -0.34 -1.67 0.00 0.00 0.01 0.00 0.00 72.50 70.50 1wln s THR 74 CO 0.28 -0.22 1.36 -2.16 -0.69 0.00 0.00 174.62 173.19 1wln s PRO 75 N 1.49 3.80 0.44 4.92 0.04 -1.26 -0.80 135.00 143.63 1wln s PRO 75 Ca -0.02 1.19 0.25 0.00 0.04 0.00 0.00 61.00 62.46 1wln s PRO 75 Cb -0.18 -3.94 0.79 0.00 0.04 0.00 0.00 34.50 31.21 1wln s PRO 75 CO -0.09 -1.27 1.77 0.00 0.04 0.00 0.00 177.00 177.45 1wln h ARG 76 N 9.84 0.00 -5.19 4.56 2.47 -1.28 -3.44 114.38 121.35 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 1.10 0.00 -0.29 0.00 -1.65 0.00 0.00 29.97 29.14 1wln h ARG 76 CO 1.05 0.18 -0.81 -1.12 0.56 0.00 0.00 179.97 179.83 1wln s SER 77 N -6.13 1.55 0.06 7.04 0.01 -1.19 -5.04 113.70 109.99 1wln s SER 77 Ca 0.02 -0.24 -0.18 0.00 1.31 0.00 0.00 55.95 56.87 1wln s SER 77 Cb 0.09 -0.17 -0.13 0.00 0.21 0.00 0.00 66.02 66.01 1wln s SER 77 CO 0.64 0.16 1.34 0.24 0.41 0.00 0.00 173.24 176.03 1wln h MET 78 N 5.81 0.52 -1.01 12.44 2.86 -1.92 -3.01 114.93 130.62 1wln h MET 78 Ca -0.34 -0.31 0.25 0.00 -2.06 0.00 0.00 59.70 57.24 1wln h MET 78 Cb 1.16 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.77 1wln h MET 78 CO 0.49 0.91 0.65 -0.44 1.06 0.00 0.00 176.91 179.58 1wln h ASP 79 N 0.18 0.45 -2.38 1.22 3.32 -1.98 -3.36 116.42 113.87 1wln h ASP 79 Ca 0.02 0.07 -0.54 0.00 0.02 0.00 0.00 57.03 56.60 1wln h ASP 79 Cb 0.86 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 1wln h ASP 79 CO 0.07 0.12 1.32 0.00 -1.72 0.00 0.00 179.24 179.02 1wln s ALA 80 N -5.49 2.56 -0.35 3.45 0.00 -1.14 -4.93 121.76 115.85 1wln s ALA 80 Ca -0.09 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 1wln s ALA 80 Cb 0.25 -4.13 0.02 0.00 0.00 0.00 0.00 23.12 19.25 1wln s ALA 80 CO 0.79 -3.18 1.13 -1.21 0.00 0.00 0.00 175.76 173.29 1wln s GLU 81 N 6.28 3.96 -0.29 0.00 8.01 -1.26 -4.89 118.70 130.50 1wln s GLU 81 Ca 0.76 0.98 0.03 0.00 0.01 0.00 0.00 54.97 56.75 1wln s GLU 81 Cb -0.18 -3.80 0.08 0.00 -4.31 0.00 0.00 34.13 25.91 1wln s GLU 81 CO 0.29 -1.05 -0.03 0.99 0.01 0.00 0.00 175.26 175.46 1wln s THR 82 N 3.96 2.11 -0.30 3.63 2.01 -1.26 0.47 115.64 126.26 1wln s THR 82 Ca 0.48 -1.89 -0.08 0.00 0.31 0.00 0.00 61.69 60.51 1wln s THR 82 Cb -0.12 -2.38 -0.00 0.00 0.01 0.00 0.00 72.50 70.01 1wln s THR 82 CO 0.20 -0.29 0.12 -0.31 -0.69 0.00 0.00 174.62 173.65 1wln s TYR 83 N 1.06 3.16 -0.90 4.92 2.02 -0.91 -1.86 117.35 124.85 1wln s TYR 83 Ca 0.00 -0.73 -0.20 0.00 -0.37 0.00 0.00 57.07 55.76 1wln s TYR 83 Cb -0.19 -2.31 0.10 0.00 -0.40 0.00 0.00 41.96 39.16 1wln s TYR 83 CO -0.07 -0.50 1.17 0.08 -1.57 0.00 0.00 175.55 174.66 1wln s VAL 84 N 1.57 4.48 -0.44 0.71 1.01 0.38 -1.48 120.40 126.63 1wln s VAL 84 Ca 0.04 -1.19 -0.00 0.00 0.00 0.00 0.00 61.98 60.83 1wln s VAL 84 Cb -0.17 -4.82 0.00 0.00 0.00 0.00 0.00 36.38 31.39 1wln s VAL 84 CO 0.05 -1.59 0.04 -0.67 0.00 0.00 0.00 175.10 172.93 1wln n ASP 85 N 7.25 -2.37 0.00 3.32 -0.08 0.70 -3.07 116.55 122.31 1wln n ASP 85 Ca 0.21 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 1wln n ASP 85 Cb 0.49 -1.62 0.00 0.00 2.34 0.00 0.00 41.12 42.33 1wln n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wln n GLY 86 N -0.99 0.68 2.89 0.27 0.00 -1.25 -4.95 105.19 101.86 1wln n GLY 86 Ca -0.05 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.32 1.42 0.15 1.61 -0.21 -1.17 -5.02 119.66 115.12 1wln s GLN 87 Ca 0.00 -0.79 -0.30 0.00 0.02 0.00 0.00 55.36 54.28 1wln s GLN 87 Cb 0.00 -2.39 -0.08 0.00 1.00 0.00 0.00 33.01 31.54 1wln s GLN 87 CO 0.00 -0.57 1.26 0.50 -2.12 0.00 0.00 175.29 174.36 1wln s ARG 88 N 1.52 4.42 0.44 2.91 3.52 -1.26 0.14 118.95 130.64 1wln s ARG 88 Ca -0.04 1.94 0.06 0.00 -0.13 0.00 0.00 55.73 57.57 1wln s ARG 88 Cb -0.18 -3.25 0.01 0.00 -1.56 0.00 0.00 34.95 29.97 1wln s ARG 88 CO -0.07 -0.23 0.60 0.96 -0.81 0.00 0.00 175.30 175.76 1wln s ILE 89 N 0.41 3.14 -0.00 4.11 -4.36 -0.78 -4.92 121.20 118.81 1wln s ILE 89 Ca 0.57 -0.90 0.00 0.00 -0.26 0.00 0.00 60.65 60.06 1wln s ILE 89 Cb -0.34 -3.09 0.00 0.00 1.25 0.00 0.00 42.46 40.29 1wln s ILE 89 CO 0.34 -0.04 0.63 -1.20 0.24 0.00 0.00 174.94 174.92 1wln n SER 90 N -1.93 0.42 -2.46 4.36 7.64 -1.26 -4.85 113.62 115.54 1wln n SER 90 Ca 0.06 -1.27 0.02 0.00 1.01 0.00 0.00 58.87 58.69 1wln n SER 90 Cb 0.59 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.78 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 0.08 -1.53 1.43 0.28 -1.26 -5.01 120.64 114.50 1wln n GLU 91 Ca 0.00 -0.37 -0.40 0.00 -0.16 0.00 0.00 57.16 56.24 1wln n GLU 91 Cb 0.46 0.63 -0.06 0.00 1.43 0.00 0.00 31.44 33.90 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 -0.47 0.02 -4.48 3.84 -1.04 -1.25 -4.61 114.28 106.27 1wln n THR 92 Ca 0.02 -0.56 -0.34 0.00 -2.04 0.00 0.00 64.05 61.14 1wln n THR 92 Cb 0.29 -2.24 -0.12 0.00 -1.82 0.00 0.00 70.33 66.45 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 10.59 3.77 0.64 12.58 2.01 0.86 -4.89 115.64 141.20 1wln s THR 93 Ca 1.06 -0.41 -0.18 0.00 0.31 0.00 0.00 61.69 62.47 1wln s THR 93 Cb -0.47 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.40 1wln s THR 93 CO 0.34 0.52 1.28 -0.04 -0.69 0.00 0.00 174.62 176.03 1wln s MET 94 N 0.16 2.61 0.06 4.92 -1.94 -1.26 0.98 119.30 124.83 1wln s MET 94 Ca -0.02 2.03 0.08 0.00 -1.71 0.00 0.00 55.69 56.06 1wln s MET 94 Cb -0.14 -1.86 -0.03 0.00 2.01 0.00 0.00 34.83 34.81 1wln s MET 94 CO 0.03 -1.55 -0.19 -0.51 -0.01 0.00 0.00 175.02 172.80 1wln s LEU 95 N -4.33 2.60 0.03 -0.03 1.43 0.10 -4.72 118.68 113.76 1wln s LEU 95 Ca 0.82 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1wln s LEU 95 Cb -0.37 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 1wln s LEU 95 CO 0.39 0.24 -0.10 -1.10 0.23 0.00 0.00 176.35 176.00 1wln s GLN 96 N -1.60 0.69 0.09 1.70 -0.21 -1.26 -4.61 119.66 114.46 1wln s GLN 96 Ca 0.15 -0.63 -0.35 0.00 0.02 0.00 0.00 55.36 54.55 1wln s GLN 96 Cb -0.10 -0.62 -0.15 0.00 1.00 0.00 0.00 33.01 33.14 1wln s GLN 96 CO 0.06 0.15 1.55 -1.13 -2.12 0.00 0.00 175.29 173.80 1wln n SER 97 N 2.00 2.68 0.00 5.90 3.41 -1.26 -1.08 113.62 125.27 1wln n SER 97 Ca -0.18 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 1wln n SER 97 Cb 0.55 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 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 3.32 2.98 3.64 5.00 0.00 0.18 -4.95 105.19 115.36 1wln n GLY 98 Ca 0.19 -0.84 -0.45 0.00 0.00 0.00 0.00 46.02 44.91 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 1.69 -3.22 1.61 2.00 -0.24 -4.68 117.12 114.29 1wln n MET 99 Ca 0.00 0.60 -0.28 0.00 0.00 0.00 0.00 57.70 58.02 1wln n MET 99 Cb 0.00 -2.13 -0.03 0.00 0.00 0.00 0.00 33.22 31.06 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 -1.00 3.63 -0.21 0.03 0.52 -1.26 -1.97 118.95 118.68 1wln s ARG 100 Ca 0.64 0.05 -0.02 0.00 -0.52 0.00 0.00 55.73 55.88 1wln s ARG 100 Cb -0.69 -2.59 0.07 0.00 0.52 0.00 0.00 34.95 32.26 1wln s ARG 100 CO 0.55 0.14 0.04 -0.51 0.02 0.00 0.00 175.30 175.54 1wln s LEU 101 N -3.78 1.42 -0.43 2.53 1.02 0.50 -0.21 118.68 119.73 1wln s LEU 101 Ca 0.45 -0.96 -0.13 0.00 0.02 0.00 0.00 54.13 53.51 1wln s LEU 101 Cb -0.10 -0.68 0.06 0.00 0.02 0.00 0.00 46.19 45.49 1wln s LEU 101 CO 0.32 -0.31 0.31 -1.58 0.02 0.00 0.00 176.35 175.10 1wln s GLN 102 N 1.79 2.83 -0.70 1.70 0.74 -0.55 0.53 119.66 125.99 1wln s GLN 102 Ca -0.00 -1.30 -0.19 0.00 0.05 0.00 0.00 55.36 53.91 1wln s GLN 102 Cb -0.17 -3.93 0.11 0.00 1.10 0.00 0.00 33.01 30.12 1wln s GLN 102 CO -0.10 -0.91 0.87 -0.06 -0.55 0.00 0.00 175.29 174.53 1wln s PHE 103 N 1.56 3.00 0.00 1.67 0.08 0.03 -2.13 117.98 122.19 1wln s PHE 103 Ca 0.03 -1.03 0.00 0.00 0.12 0.00 0.00 56.93 56.05 1wln s PHE 103 Cb -0.22 -4.13 0.00 0.00 -0.57 0.00 0.00 43.02 38.10 1wln s PHE 103 CO 0.06 -1.41 0.00 0.41 -0.10 0.00 0.00 175.22 174.18 1wln n GLY 104 N 5.24 0.87 0.00 4.36 0.00 0.18 -4.11 105.19 111.72 1wln n GLY 104 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 0.00 0.00 2.61 5.66 -1.26 -4.75 114.28 116.54 1wln n THR 105 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1wln n THR 105 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1wln n THR 105 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1wln n SER 106 N 0.00 0.00 -4.55 1.09 2.88 -1.26 -5.06 113.62 106.72 1wln n SER 106 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 1wln n SER 106 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1wln n SER 106 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1wln s HIS 107 N -0.85 3.19 0.07 0.66 4.02 -1.26 -4.39 115.29 116.73 1wln s HIS 107 Ca 0.00 -0.03 0.08 0.00 1.02 0.00 0.00 55.06 56.14 1wln s HIS 107 Cb 0.00 -2.36 -0.03 0.00 -1.02 0.00 0.00 32.58 29.17 1wln s HIS 107 CO 0.00 -0.22 -0.22 0.08 1.02 0.00 0.00 174.74 175.40 1wln s VAL 108 N 1.73 1.78 0.03 -0.90 1.01 -1.25 -0.79 120.40 122.01 1wln s VAL 108 Ca 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.66 1wln s VAL 108 Cb -0.16 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1wln s VAL 108 CO 0.09 0.12 -0.04 -0.36 0.00 0.00 0.00 175.10 174.92 1wln s PHE 109 N -0.95 0.33 -0.22 5.22 0.40 0.19 0.13 117.98 123.08 1wln s PHE 109 Ca 0.08 -0.56 -0.02 0.00 -0.60 0.00 0.00 56.93 55.83 1wln s PHE 109 Cb -0.09 -0.23 0.01 0.00 0.51 0.00 0.00 43.02 43.21 1wln s PHE 109 CO 0.03 -0.19 -0.08 0.21 0.70 0.00 0.00 175.22 175.90 1wln s LYS 110 N -1.64 3.16 0.04 0.44 2.36 -0.07 0.19 119.74 124.21 1wln s LYS 110 Ca -0.14 -0.76 -0.23 0.00 -2.55 0.00 0.00 55.97 52.30 1wln s LYS 110 Cb -0.09 -2.92 -0.06 0.00 -1.05 0.00 0.00 37.83 33.71 1wln s LYS 110 CO -0.01 -0.26 0.67 0.12 1.55 0.00 0.00 175.35 177.42 1wln s PHE 111 N 1.40 3.74 0.04 4.03 2.19 -0.83 -0.91 117.98 127.64 1wln s PHE 111 Ca 0.04 1.36 0.03 0.00 0.33 0.00 0.00 56.93 58.69 1wln s PHE 111 Cb -0.15 -2.69 -0.02 0.00 -1.31 0.00 0.00 43.02 38.85 1wln s PHE 111 CO -0.05 0.37 -0.09 0.08 1.83 0.00 0.00 175.22 177.35 1wln s VAL 112 N -0.35 0.68 -0.36 3.12 1.01 -0.84 0.51 120.40 124.17 1wln s VAL 112 Ca 0.34 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1wln s VAL 112 Cb -0.20 -0.68 0.09 0.00 0.00 0.00 0.00 36.38 35.59 1wln s VAL 112 CO 0.20 -0.22 0.11 -0.62 0.00 0.00 0.00 175.10 174.58 1wln s ASP 113 N -1.28 5.06 0.00 3.32 2.15 -1.26 -2.65 116.67 122.01 1wln s ASP 113 Ca -0.05 -1.81 0.22 0.00 0.43 0.00 0.00 52.55 51.34 1wln s ASP 113 Cb -0.08 -1.76 1.02 0.00 -0.30 0.00 0.00 42.92 41.80 1wln s ASP 113 CO 0.01 -0.43 1.71 -0.81 -0.17 0.00 0.00 175.17 175.48 1wln n PRO 114 N 4.55 0.13 -0.10 4.34 -0.04 -1.26 -3.26 135.00 139.35 1wln n PRO 114 Ca -0.05 0.10 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 1wln n PRO 114 Cb 0.42 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.40 0.00 3.54 0.87 -1.87 -3.44 113.55 113.04 1wln h SER 115 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1wln h SER 115 Cb 0.31 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1wln h SER 115 CO 0.00 0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.22 1wln n GLY 116 N -1.12 1.20 3.69 5.77 0.00 -1.20 -5.02 105.19 108.51 1wln n GLY 116 Ca -0.01 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 3.74 4.35 0.29 1.61 0.04 -1.26 -4.68 135.00 139.09 1wln s PRO 117 Ca 0.00 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1wln s PRO 117 Cb 0.00 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1wln s PRO 117 CO 0.00 -0.46 0.00 0.45 0.04 0.00 0.00 177.00 177.03 1wln n SER 118 N 5.23 -2.63 -4.95 6.66 2.88 -1.26 -4.86 113.62 114.68 1wln n SER 118 Ca 0.11 0.57 -0.24 0.00 -1.33 0.00 0.00 58.87 57.99 1wln n SER 118 Cb 0.46 2.63 -0.02 0.00 -0.75 0.00 0.00 64.21 66.53 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 -2.00 6.33 0.00 -3.46 0.15 -1.26 -5.13 113.70 108.33 1wln s SER 119 Ca 0.00 0.28 0.17 0.00 0.70 0.00 0.00 55.95 57.09 1wln s SER 119 Cb 0.00 -1.95 0.13 0.00 -1.71 0.00 0.00 66.02 62.49 1wln s SER 119 CO 0.00 -0.13 1.02 0.61 1.20 0.00 0.00 173.24 175.94