#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 -0.11 -4.01 1.61 2.88 -1.26 -5.11 113.62 107.63 1wln n SER 2 Ca 0.00 0.39 -0.36 0.00 -1.33 0.00 0.00 58.87 57.57 1wln n SER 2 Cb 0.00 0.31 0.03 0.00 -0.75 0.00 0.00 64.21 63.80 1wln n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wln n SER 3 N -3.29 -5.24 -3.64 -3.46 3.41 -1.26 -4.99 113.62 95.15 1wln n SER 3 Ca 0.00 0.32 -0.01 0.00 -0.26 0.00 0.00 58.87 58.92 1wln n SER 3 Cb 0.00 -0.77 -0.00 0.00 -0.26 0.00 0.00 64.21 63.18 1wln n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wln s GLY 4 N -0.98 -0.23 0.16 5.00 0.00 -1.26 -5.18 107.32 104.83 1wln s GLY 4 Ca 0.44 0.25 -0.02 0.00 0.00 0.00 0.00 44.72 45.39 1wln s GLY 4 CO 0.77 0.93 0.11 -0.45 0.00 0.00 0.00 173.10 174.46 1wln s SER 5 N -3.11 0.21 -0.29 1.64 0.15 -1.26 -5.14 113.70 105.90 1wln s SER 5 Ca 0.16 -1.25 0.03 0.00 0.70 0.00 0.00 55.95 55.59 1wln s SER 5 Cb 0.01 0.35 0.17 0.00 -1.71 0.00 0.00 66.02 64.84 1wln s SER 5 CO 0.00 -0.80 0.47 -0.94 1.20 0.00 0.00 173.24 173.18 1wln s SER 6 N -3.09 -0.35 -0.29 5.45 1.04 -1.26 -5.10 113.70 110.10 1wln s SER 6 Ca 0.30 -0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.63 1wln s SER 6 Cb 0.07 1.45 0.17 0.00 0.10 0.00 0.00 66.02 67.81 1wln s SER 6 CO 0.06 -0.33 0.47 -0.83 0.98 0.00 0.00 173.24 173.59 1wln s GLY 7 N 2.65 -0.82 0.39 7.32 0.00 -1.26 -5.00 107.32 110.60 1wln s GLY 7 Ca 0.10 0.51 0.21 0.00 0.00 0.00 0.00 44.72 45.54 1wln s GLY 7 CO -0.28 3.28 1.69 -0.56 0.00 0.00 0.00 173.10 177.23 1wln h PRO 8 N 8.09 0.00 -0.59 2.90 0.13 -2.01 -2.79 132.00 137.73 1wln h PRO 8 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 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 0.22 0.29 0.00 -0.85 -0.23 0.00 0.00 178.00 177.43 1wln n GLU 9 N -3.31 2.22 -2.68 0.86 0.28 -1.26 -3.81 120.64 112.95 1wln n GLU 9 Ca 0.01 -1.24 -0.08 0.00 -0.16 0.00 0.00 57.16 55.69 1wln n GLU 9 Cb 0.53 -1.56 0.04 0.00 1.43 0.00 0.00 31.44 31.89 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 0.33 1.19 -4.06 3.44 5.02 -1.05 -5.00 118.16 118.03 1wln n LYS 10 Ca 0.11 -3.09 -0.28 0.00 -2.02 0.00 0.00 58.31 53.02 1wln n LYS 10 Cb 0.47 -1.12 -0.06 0.00 -0.02 0.00 0.00 35.03 34.30 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 -3.18 3.82 0.29 -0.35 1.43 -1.25 -2.71 118.68 116.73 1wln s LEU 11 Ca 0.26 -0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 53.01 1wln s LEU 11 Cb 0.44 -2.46 -0.09 0.00 0.03 0.00 0.00 46.19 44.11 1wln s LEU 11 CO 0.02 0.12 1.07 -2.16 0.23 0.00 0.00 176.35 175.63 1wln s PRO 12 N -2.76 4.60 0.16 1.29 0.04 -1.25 -4.18 135.00 132.89 1wln s PRO 12 Ca 0.30 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 1wln s PRO 12 Cb -0.11 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1wln s PRO 12 CO 0.23 0.19 0.08 1.52 0.04 0.00 0.00 177.00 179.06 1wln s TYR 13 N -1.24 0.99 -0.24 0.56 -0.85 -0.88 0.17 117.35 115.87 1wln s TYR 13 Ca 0.46 -1.27 -0.02 0.00 -0.52 0.00 0.00 57.07 55.72 1wln s TYR 13 Cb -0.30 -0.53 0.02 0.00 0.38 0.00 0.00 41.96 41.53 1wln s TYR 13 CO 0.38 -0.54 -0.06 -0.51 -1.52 0.00 0.00 175.55 173.30 1wln s LEU 14 N -3.10 3.08 -0.46 -3.49 1.43 -0.70 -0.16 118.68 115.28 1wln s LEU 14 Ca 0.29 -0.77 -0.14 0.00 -1.03 0.00 0.00 54.13 52.48 1wln s LEU 14 Cb 0.07 -1.67 0.07 0.00 0.03 0.00 0.00 46.19 44.69 1wln s LEU 14 CO 0.05 -0.10 0.36 0.54 0.23 0.00 0.00 176.35 177.44 1wln s VAL 15 N 1.35 5.08 0.08 -1.59 0.11 0.42 -2.91 120.40 122.96 1wln s VAL 15 Ca 0.02 -1.07 -0.36 0.00 -2.93 0.00 0.00 61.98 57.64 1wln s VAL 15 Cb -0.16 -4.02 -0.18 0.00 -1.53 0.00 0.00 36.38 30.49 1wln s VAL 15 CO -0.05 -0.54 0.98 1.21 -3.33 0.00 0.00 175.10 173.37 1wln n GLU 16 N 5.16 0.28 -4.12 1.54 2.13 -0.99 -2.11 120.64 122.52 1wln n GLU 16 Ca -0.12 0.10 -0.23 0.00 0.66 0.00 0.00 57.16 57.58 1wln n GLU 16 Cb 0.44 -1.49 -0.06 0.00 0.27 0.00 0.00 31.44 30.60 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 0.85 3.38 1.18 4.31 1.43 -0.37 -4.70 118.68 124.77 1wln s LEU 17 Ca 0.81 -0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 53.14 1wln s LEU 17 Cb -1.10 -1.90 0.21 0.00 0.03 0.00 0.00 46.19 43.44 1wln s LEU 17 CO 0.55 -0.17 0.46 -0.24 0.23 0.00 0.00 176.35 177.18 1wln n SER 18 N -1.11 -2.42 0.00 2.29 2.88 0.36 -4.62 113.62 111.00 1wln n SER 18 Ca -0.05 -0.25 0.12 0.00 -1.33 0.00 0.00 58.87 57.36 1wln n SER 18 Cb 0.60 -1.05 0.70 0.00 -0.75 0.00 0.00 64.21 63.72 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 -3.48 0.75 -0.00 -1.46 -0.04 -1.26 -2.02 135.00 127.50 1wln n PRO 19 Ca 0.03 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.51 1wln n PRO 19 Cb 0.57 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.99 1.15 -0.04 3.54 9.92 -1.26 -5.00 116.55 123.87 1wln n ASP 20 Ca 0.18 -0.47 0.00 0.00 -0.53 0.00 0.00 54.79 53.96 1wln n ASP 20 Cb 0.08 1.08 0.00 0.00 -0.64 0.00 0.00 41.12 41.64 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 1.41 1.14 3.40 0.44 0.00 -0.86 -5.12 105.19 105.61 1wln n GLY 21 Ca 0.01 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.09 3.22 -0.48 1.61 0.01 -1.26 -4.83 113.70 109.89 1wln s SER 22 Ca 0.00 -0.86 -0.15 0.00 1.31 0.00 0.00 55.95 56.25 1wln s SER 22 Cb 0.00 -0.23 0.08 0.00 0.21 0.00 0.00 66.02 66.08 1wln s SER 22 CO 0.00 0.08 0.39 1.51 0.41 0.00 0.00 173.24 175.63 1wln s ASP 23 N -2.67 6.09 0.00 2.44 1.47 -1.26 0.14 116.67 122.88 1wln s ASP 23 Ca 0.19 -1.42 0.00 0.00 1.18 0.00 0.00 52.55 52.50 1wln s ASP 23 Cb -0.07 -2.16 0.00 0.00 -0.34 0.00 0.00 42.92 40.34 1wln s ASP 23 CO 0.09 -0.66 0.00 -0.24 0.68 0.00 0.00 175.17 175.03 1wln n SER 24 N 5.17 0.00 -2.79 2.11 2.88 -1.26 -5.03 113.62 114.70 1wln n SER 24 Ca -0.12 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1wln n SER 24 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1wln n SER 24 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wln n ARG 25 N 0.00 -1.11 -0.90 -1.46 1.74 -1.26 -4.64 116.66 109.04 1wln n ARG 25 Ca 0.00 1.34 0.12 0.00 -0.77 0.00 0.00 57.85 58.54 1wln n ARG 25 Cb 0.00 -5.05 -0.03 0.00 -1.02 0.00 0.00 32.46 26.36 1wln n ARG 25 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wln n ASP 26 N -1.63 -5.23 -4.62 0.55 2.03 -1.26 -4.36 116.55 102.04 1wln n ASP 26 Ca 0.00 0.37 -0.43 0.00 0.52 0.00 0.00 54.79 55.25 1wln n ASP 26 Cb 0.50 -2.90 -0.03 0.00 -0.72 0.00 0.00 41.12 37.97 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 -1.84 3.56 0.87 -0.67 1.02 -1.26 -4.97 119.74 116.45 1wln s LYS 27 Ca 0.00 1.85 -0.12 0.00 0.02 0.00 0.00 55.97 57.72 1wln s LYS 27 Cb 0.00 -4.18 0.11 0.00 -0.52 0.00 0.00 37.83 33.24 1wln s LYS 27 CO 0.00 -1.60 1.12 -1.25 -0.92 0.00 0.00 175.35 172.70 1wln s PRO 28 N 5.33 1.47 0.62 -1.68 0.04 -1.26 -5.01 135.00 134.51 1wln s PRO 28 Ca 0.84 0.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.12 1wln s PRO 28 Cb -0.29 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1wln s PRO 28 CO 0.34 -1.99 1.16 0.15 0.04 0.00 0.00 177.00 176.69 1wln s LYS 29 N -5.24 2.88 0.11 4.56 1.02 -1.26 -4.85 119.74 116.95 1wln s LYS 29 Ca 0.63 1.62 0.05 0.00 0.02 0.00 0.00 55.97 58.28 1wln s LYS 29 Cb -0.15 -1.94 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1wln s LYS 29 CO 0.54 -1.23 -0.12 -1.17 -0.92 0.00 0.00 175.35 172.45 1wln s LEU 30 N -4.43 2.39 -0.27 3.17 1.98 -1.26 -2.34 118.68 117.91 1wln s LEU 30 Ca 0.72 -0.79 0.00 0.00 -2.89 0.00 0.00 54.13 51.17 1wln s LEU 30 Cb -0.25 -0.42 0.16 0.00 0.66 0.00 0.00 46.19 46.33 1wln s LEU 30 CO 0.36 -0.20 0.42 -0.31 -1.89 0.00 0.00 176.35 174.74 1wln s TYR 31 N -2.22 -1.05 0.17 5.38 2.02 -1.15 -4.96 117.35 115.55 1wln s TYR 31 Ca 0.06 0.67 -0.30 0.00 -0.37 0.00 0.00 57.07 57.13 1wln s TYR 31 Cb -0.04 -0.00 -0.08 0.00 -0.40 0.00 0.00 41.96 41.44 1wln s TYR 31 CO 0.01 -0.89 1.19 1.03 -1.57 0.00 0.00 175.55 175.33 1wln s ARG 32 N 2.59 4.49 -1.13 -0.62 0.52 -1.26 -1.73 118.95 121.81 1wln s ARG 32 Ca 0.12 1.85 -0.09 0.00 -0.52 0.00 0.00 55.73 57.09 1wln s ARG 32 Cb -0.14 -3.26 0.27 0.00 0.52 0.00 0.00 34.95 32.35 1wln s ARG 32 CO -0.24 -0.10 1.26 1.28 0.02 0.00 0.00 175.30 177.52 1wln n LEU 33 N 2.69 5.70 -4.76 2.53 4.77 0.46 -4.95 117.00 123.44 1wln n LEU 33 Ca 0.05 -4.99 -0.34 0.00 -0.03 0.00 0.00 56.01 50.71 1wln n LEU 33 Cb 0.45 -1.46 0.05 0.00 -2.33 0.00 0.00 43.42 40.13 1wln n LEU 33 CO 0.56 1.34 0.76 -1.10 -1.33 0.00 0.00 177.39 177.61 1wln s GLN 34 N -1.15 2.81 -0.45 3.23 -0.21 -1.26 -4.41 119.66 118.21 1wln s GLN 34 Ca 0.33 1.51 -0.38 0.00 0.02 0.00 0.00 55.36 56.83 1wln s GLN 34 Cb -0.06 -1.94 -0.15 0.00 1.00 0.00 0.00 33.01 31.86 1wln s GLN 34 CO -0.03 -1.26 2.21 1.28 -2.12 0.00 0.00 175.29 175.36 1wln n LEU 35 N -2.21 1.44 0.00 2.90 4.77 -1.26 -4.66 117.00 117.97 1wln n LEU 35 Ca 0.11 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1wln n LEU 35 Cb 0.51 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1wln n LEU 35 CO 0.46 -0.77 0.00 -1.54 -1.33 0.00 0.00 177.39 174.22 1wln n SER 36 N 9.05 0.00 -4.32 -1.43 3.41 -1.26 -4.99 113.62 114.08 1wln n SER 36 Ca 0.48 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.71 1wln n SER 36 Cb 0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.94 1wln n SER 36 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wln s VAL 37 N -2.69 4.00 -0.52 -3.33 0.11 -1.26 -3.46 120.40 113.25 1wln s VAL 37 Ca 0.00 -0.92 -0.16 0.00 -2.93 0.00 0.00 61.98 57.97 1wln s VAL 37 Cb 0.00 -3.19 0.11 0.00 -1.53 0.00 0.00 36.38 31.78 1wln s VAL 37 CO 0.00 -0.10 0.48 -0.89 -3.33 0.00 0.00 175.10 171.26 1wln s THR 38 N 1.47 5.20 -0.36 5.04 2.01 -1.08 -4.75 115.64 123.16 1wln s THR 38 Ca 0.00 -1.34 -0.29 0.00 0.31 0.00 0.00 61.69 60.37 1wln s THR 38 Cb -0.19 -4.28 -0.00 0.00 0.01 0.00 0.00 72.50 68.04 1wln s THR 38 CO 0.03 -0.79 1.51 -1.61 -0.69 0.00 0.00 174.62 173.07 1wln s GLU 39 N 1.65 3.58 0.23 4.92 8.01 -1.26 -1.22 118.70 134.61 1wln s GLU 39 Ca 0.04 1.15 -0.13 0.00 0.01 0.00 0.00 54.97 56.04 1wln s GLU 39 Cb -0.28 -4.05 -0.08 0.00 -4.31 0.00 0.00 34.13 25.42 1wln s GLU 39 CO 0.04 -1.56 0.60 0.08 0.01 0.00 0.00 175.26 174.43 1wln s VAL 40 N 5.62 4.84 0.00 2.63 1.01 0.50 -3.36 120.40 131.63 1wln s VAL 40 Ca 0.66 0.71 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1wln s VAL 40 Cb -0.17 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1wln s VAL 40 CO 0.32 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1wln n GLY 41 N 0.12 -0.03 0.00 4.51 0.00 -1.17 0.18 105.19 108.80 1wln n GLY 41 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 0.13 -4.25 2.61 -2.24 0.34 0.14 114.28 111.02 1wln n THR 42 Ca 0.00 -0.51 -0.23 0.00 -2.27 0.00 0.00 64.05 61.04 1wln n THR 42 Cb 0.00 1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.13 2.44 -0.14 -0.78 0.41 -1.22 -4.88 118.70 114.39 1wln s GLU 43 Ca 0.00 -1.31 -0.06 0.00 -0.41 0.00 0.00 54.97 53.18 1wln s GLU 43 Cb 0.00 -2.26 -0.04 0.00 -1.78 0.00 0.00 34.13 30.05 1wln s GLU 43 CO 0.00 0.38 0.07 0.21 -0.49 0.00 0.00 175.26 175.43 1wln s LYS 44 N -3.66 3.62 0.13 1.61 2.20 -1.26 -4.80 119.74 117.58 1wln s LYS 44 Ca 0.31 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1wln s LYS 44 Cb -0.07 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1wln s LYS 44 CO 0.21 0.51 0.00 1.19 -0.36 0.00 0.00 175.35 176.90 1wln n PHE 45 N 2.79 -1.06 -4.07 4.03 3.01 -1.26 -5.10 117.46 115.79 1wln n PHE 45 Ca -0.18 0.19 -0.28 0.00 1.01 0.00 0.00 57.45 58.19 1wln n PHE 45 Cb 0.53 0.41 -0.06 0.00 -0.01 0.00 0.00 39.48 40.36 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 -5.13 5.50 0.33 4.37 2.15 -1.26 -5.00 116.67 117.63 1wln s ASP 46 Ca 0.00 -0.08 0.04 0.00 0.43 0.00 0.00 52.55 52.94 1wln s ASP 46 Cb 0.00 -1.45 0.67 0.00 -0.30 0.00 0.00 42.92 41.84 1wln s ASP 46 CO 0.00 0.12 1.91 0.44 -0.17 0.00 0.00 175.17 177.47 1wln h ASP 47 N 2.81 0.76 -2.42 -0.34 3.32 -1.99 -2.67 116.42 115.90 1wln h ASP 47 Ca -0.47 0.02 -0.70 0.00 0.02 0.00 0.00 57.03 55.90 1wln h ASP 47 Cb 1.18 -0.14 -0.35 0.00 0.22 0.00 0.00 39.33 40.24 1wln h ASP 47 CO 0.64 0.46 0.09 0.59 -1.72 0.00 0.00 179.24 179.31 1wln n ASN 48 N -4.51 5.38 -4.52 6.45 3.02 -1.26 -5.02 115.26 114.80 1wln n ASN 48 Ca 0.14 -3.55 -0.26 0.00 -0.03 0.00 0.00 54.58 50.89 1wln n ASN 48 Cb 0.28 -0.91 -0.10 0.00 -0.61 0.00 0.00 39.78 38.45 1wln n ASN 48 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wln s SER 49 N -2.31 3.91 -0.04 6.41 1.04 -1.01 -4.56 113.70 117.15 1wln s SER 49 Ca 0.39 -0.76 -0.18 0.00 0.48 0.00 0.00 55.95 55.89 1wln s SER 49 Cb 0.16 -0.51 -0.05 0.00 0.10 0.00 0.00 66.02 65.72 1wln s SER 49 CO -0.03 0.08 0.49 -0.63 0.98 0.00 0.00 173.24 174.13 1wln s ILE 50 N -1.93 5.03 -0.28 -1.02 1.01 -1.22 -4.98 121.20 117.82 1wln s ILE 50 Ca 0.25 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.91 1wln s ILE 50 Cb -0.07 -3.81 0.08 0.00 0.01 0.00 0.00 42.46 38.66 1wln s ILE 50 CO 0.14 0.45 0.04 -1.58 0.00 0.00 0.00 174.94 173.99 1wln s GLN 51 N -0.27 1.07 0.40 2.79 0.74 -1.26 -3.02 119.66 120.11 1wln s GLN 51 Ca 0.26 -1.09 0.08 0.00 0.05 0.00 0.00 55.36 54.66 1wln s GLN 51 Cb -0.17 -2.37 -0.02 0.00 1.10 0.00 0.00 33.01 31.56 1wln s GLN 51 CO 0.14 -0.83 0.38 -0.51 -0.55 0.00 0.00 175.29 173.92 1wln s LEU 52 N 1.47 3.47 -0.15 3.68 2.01 0.36 -4.96 118.68 124.57 1wln s LEU 52 Ca 0.04 -0.65 -0.04 0.00 0.01 0.00 0.00 54.13 53.49 1wln s LEU 52 Cb -0.18 -2.17 0.07 0.00 0.01 0.00 0.00 46.19 43.92 1wln s LEU 52 CO -0.15 -0.60 0.16 -0.36 1.01 0.00 0.00 176.35 176.41 1wln s PHE 53 N -2.42 -0.10 0.15 0.29 0.08 -1.26 -3.92 117.98 110.80 1wln s PHE 53 Ca 0.47 0.17 -0.19 0.00 0.12 0.00 0.00 56.93 57.51 1wln s PHE 53 Cb -0.05 -0.44 0.05 0.00 -0.57 0.00 0.00 43.02 42.01 1wln s PHE 53 CO 0.28 -0.47 0.50 0.20 -0.10 0.00 0.00 175.22 175.63 1wln s GLY 54 N 2.26 -0.38 -0.69 4.36 0.00 -1.26 -4.93 107.32 106.68 1wln s GLY 54 Ca 0.04 0.12 -0.27 0.00 0.00 0.00 0.00 44.72 44.62 1wln s GLY 54 CO -0.09 -0.12 1.57 2.56 0.00 0.00 0.00 173.10 177.01 1wln s PRO 55 N -3.79 2.92 0.00 2.90 0.04 -1.26 -2.14 135.00 133.67 1wln s PRO 55 Ca 0.03 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1wln s PRO 55 Cb 0.00 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1wln s PRO 55 CO -0.11 -2.45 0.00 0.41 0.04 0.00 0.00 177.00 174.89 1wln n GLY 56 N 5.60 1.14 3.87 0.56 0.00 -1.26 -4.97 105.19 110.14 1wln n GLY 56 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.86 4.84 0.53 -0.61 -1.09 -0.91 -4.78 121.20 117.32 1wln s ILE 57 Ca 0.00 0.56 0.03 0.00 -2.23 0.00 0.00 60.65 59.00 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 -0.29 0.17 -1.10 -1.23 0.00 0.00 174.94 172.48 1wln s GLN 58 N -3.33 2.23 -0.06 2.79 -1.52 -1.26 -4.93 119.66 113.57 1wln s GLN 58 Ca 0.50 -2.27 -0.11 0.00 -1.95 0.00 0.00 55.36 51.53 1wln s GLN 58 Cb -0.11 -1.75 -0.06 0.00 -0.22 0.00 0.00 33.01 30.87 1wln s GLN 58 CO 0.25 -0.49 0.43 -1.00 -0.25 0.00 0.00 175.29 174.23 1wln h PRO 59 N 1.08 -0.31 -3.29 2.91 0.13 -1.92 0.99 132.00 131.58 1wln h PRO 59 Ca -0.41 0.02 -0.80 0.00 -0.87 0.00 0.00 66.00 63.94 1wln h PRO 59 Cb 1.32 0.07 -0.28 0.00 0.13 0.00 0.00 31.00 32.23 1wln h PRO 59 CO 0.67 -0.16 0.55 1.58 -0.23 0.00 0.00 178.00 180.40 1wln n HIS 60 N -4.99 4.10 0.00 1.56 -0.00 -1.26 -3.03 115.22 111.61 1wln n HIS 60 Ca -0.05 -3.43 0.00 0.00 -0.00 0.00 0.00 57.72 54.24 1wln n HIS 60 Cb 0.15 -1.50 0.00 0.00 -0.00 0.00 0.00 29.99 28.63 1wln n HIS 60 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1wln n HIS 61 N 2.13 0.00 -3.97 1.57 -0.00 0.46 -3.01 115.22 112.40 1wln n HIS 61 Ca 0.25 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.31 1wln n HIS 61 Cb 0.37 -0.46 -0.02 0.00 -0.12 0.00 0.00 29.99 29.76 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 -3.12 2.10 -0.60 0.00 1.11 -0.50 0.19 116.67 115.84 1wln s ASP 63 Ca 0.23 -0.32 -0.19 0.00 0.18 0.00 0.00 52.55 52.46 1wln s ASP 63 Cb -0.02 -0.87 0.10 0.00 1.07 0.00 0.00 42.92 43.21 1wln s ASP 63 CO 0.15 -0.07 0.72 -0.76 1.18 0.00 0.00 175.17 176.39 1wln s LEU 64 N 1.37 5.37 -0.17 1.23 1.43 -0.36 -3.25 118.68 124.30 1wln s LEU 64 Ca -0.01 -1.45 -0.08 0.00 -1.03 0.00 0.00 54.13 51.56 1wln s LEU 64 Cb -0.14 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 1wln s LEU 64 CO -0.05 -1.12 0.11 -0.89 0.23 0.00 0.00 176.35 174.63 1wln s THR 65 N 2.71 5.20 -0.37 5.49 2.01 -1.26 -2.64 115.64 126.78 1wln s THR 65 Ca 0.12 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.11 1wln s THR 65 Cb -0.24 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 68.97 1wln s THR 65 CO 0.06 0.50 0.22 0.21 -0.69 0.00 0.00 174.62 174.92 1wln s ASN 66 N -0.09 5.78 -0.35 3.53 3.84 -1.22 -3.23 114.94 123.19 1wln s ASN 66 Ca 0.09 -0.91 0.04 0.00 0.21 0.00 0.00 52.86 52.28 1wln s ASN 66 Cb -0.12 -2.04 0.10 0.00 -0.55 0.00 0.00 41.25 38.64 1wln s ASN 66 CO 0.00 -0.37 0.06 -0.04 -2.79 0.00 0.00 177.10 173.97 1wln s MET 67 N 1.58 1.52 -0.97 0.43 -1.94 0.50 -4.49 119.30 115.93 1wln s MET 67 Ca 0.03 -1.89 -0.05 0.00 -1.71 0.00 0.00 55.69 52.07 1wln s MET 67 Cb -0.19 -3.23 -0.06 0.00 2.01 0.00 0.00 34.83 33.36 1wln s MET 67 CO 0.07 -0.95 0.86 -0.25 -0.01 0.00 0.00 175.02 174.74 1wln n ASP 68 N 4.25 -6.73 -2.20 3.03 9.92 -1.26 -2.16 116.55 121.40 1wln n ASP 68 Ca 0.04 -0.58 -0.16 0.00 -0.53 0.00 0.00 54.79 53.56 1wln n ASP 68 Cb 0.42 -5.11 -0.02 0.00 -0.64 0.00 0.00 41.12 35.76 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 -1.33 -0.03 3.06 0.44 0.00 -1.26 -4.94 105.19 101.13 1wln n GLY 69 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.68 1.28 -0.02 1.61 1.01 -0.92 -4.97 120.40 115.72 1wln s VAL 70 Ca 0.00 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.47 1wln s VAL 70 Cb 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1wln s VAL 70 CO 0.00 0.39 -0.22 -0.69 0.00 0.00 0.00 175.10 174.58 1wln s VAL 71 N 0.51 1.72 -0.07 2.92 1.01 -1.26 0.19 120.40 125.42 1wln s VAL 71 Ca -0.13 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 1wln s VAL 71 Cb -0.15 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.83 1wln s VAL 71 CO 0.04 0.49 0.03 0.42 0.00 0.00 0.00 175.10 176.08 1wln s THR 72 N -0.45 0.16 -0.07 3.92 -4.23 -1.20 -1.05 115.64 112.71 1wln s THR 72 Ca 0.07 0.20 -0.30 0.00 -1.18 0.00 0.00 61.69 60.48 1wln s THR 72 Cb -0.09 -0.40 -0.05 0.00 1.34 0.00 0.00 72.50 73.30 1wln s THR 72 CO -0.00 0.17 1.51 0.54 -0.54 0.00 0.00 174.62 176.30 1wln s VAL 73 N 2.06 3.76 -0.28 2.29 0.11 -0.35 -4.18 120.40 123.81 1wln s VAL 73 Ca 0.05 0.97 0.02 0.00 -2.93 0.00 0.00 61.98 60.09 1wln s VAL 73 Cb -0.13 -3.63 0.07 0.00 -1.53 0.00 0.00 36.38 31.17 1wln s VAL 73 CO -0.05 -0.07 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.72 1wln s THR 74 N 3.58 1.97 -0.11 5.04 2.01 -1.20 -1.33 115.64 125.61 1wln s THR 74 Ca 0.67 -1.69 -0.30 0.00 0.31 0.00 0.00 61.69 60.68 1wln s THR 74 Cb -0.30 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 1wln s THR 74 CO 0.25 -0.22 1.25 -2.16 -0.69 0.00 0.00 174.62 173.05 1wln s PRO 75 N 1.15 4.29 -0.20 4.92 0.04 -1.26 -1.41 135.00 142.53 1wln s PRO 75 Ca -0.02 1.69 0.14 0.00 0.04 0.00 0.00 61.00 62.85 1wln s PRO 75 Cb -0.19 -3.67 0.42 0.00 0.04 0.00 0.00 34.50 31.10 1wln s PRO 75 CO -0.07 -0.59 1.29 0.54 0.04 0.00 0.00 177.00 178.21 1wln n ARG 76 N 5.92 1.78 -3.84 4.56 5.12 -0.46 -4.90 116.66 124.84 1wln n ARG 76 Ca 0.13 -2.97 -0.24 0.00 -1.93 0.00 0.00 57.85 52.83 1wln n ARG 76 Cb 0.45 -1.67 -0.17 0.00 -1.16 0.00 0.00 32.46 29.91 1wln n ARG 76 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wln s SER 77 N -2.74 1.77 -1.31 0.55 0.01 -1.16 -4.86 113.70 105.96 1wln s SER 77 Ca 0.38 -0.16 -0.10 0.00 1.31 0.00 0.00 55.95 57.38 1wln s SER 77 Cb 0.35 -0.58 -0.07 0.00 0.21 0.00 0.00 66.02 65.93 1wln s SER 77 CO 0.00 -0.16 2.51 0.23 0.41 0.00 0.00 173.24 176.23 1wln n MET 78 N 5.03 2.89 0.00 12.44 2.81 -1.26 -2.50 117.12 136.53 1wln n MET 78 Ca -0.10 -1.99 0.00 0.00 -1.81 0.00 0.00 57.70 53.80 1wln n MET 78 Cb 0.50 -2.77 0.00 0.00 -0.71 0.00 0.00 33.22 30.24 1wln n MET 78 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1wln n ASP 79 N 4.45 0.00 -4.61 7.83 -0.08 -1.26 -5.10 116.55 117.78 1wln n ASP 79 Ca 0.62 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 53.47 1wln n ASP 79 Cb 0.23 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.67 1wln n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wln s ALA 80 N 0.00 2.91 -0.19 -1.67 0.00 -1.04 -4.94 121.76 116.83 1wln s ALA 80 Ca 0.00 0.63 -0.22 0.00 0.00 0.00 0.00 51.96 52.37 1wln s ALA 80 Cb 0.00 -4.01 -0.02 0.00 0.00 0.00 0.00 23.12 19.09 1wln s ALA 80 CO 0.00 -2.53 0.70 -1.21 0.00 0.00 0.00 175.76 172.71 1wln s GLU 81 N 5.77 4.23 -0.33 0.00 2.02 -1.26 -4.86 118.70 124.26 1wln s GLU 81 Ca 0.90 0.74 0.03 0.00 0.02 0.00 0.00 54.97 56.66 1wln s GLU 81 Cb -0.30 -3.58 0.10 0.00 0.10 0.00 0.00 34.13 30.45 1wln s GLU 81 CO 0.35 -0.29 0.05 0.99 0.02 0.00 0.00 175.26 176.38 1wln s THR 82 N 2.06 1.96 -0.37 3.63 2.01 -1.26 0.02 115.64 123.69 1wln s THR 82 Ca 0.32 -2.09 -0.14 0.00 0.31 0.00 0.00 61.69 60.09 1wln s THR 82 Cb -0.16 -2.43 -0.00 0.00 0.01 0.00 0.00 72.50 69.92 1wln s THR 82 CO 0.11 -0.58 0.28 -0.31 -0.69 0.00 0.00 174.62 173.43 1wln s TYR 83 N 1.07 3.23 -0.89 4.92 2.02 0.50 -2.04 117.35 126.17 1wln s TYR 83 Ca 0.09 -0.34 -0.20 0.00 -0.37 0.00 0.00 57.07 56.26 1wln s TYR 83 Cb -0.19 -2.55 0.11 0.00 -0.40 0.00 0.00 41.96 38.93 1wln s TYR 83 CO -0.11 -0.46 1.14 0.08 -1.57 0.00 0.00 175.55 174.62 1wln s VAL 84 N 1.75 4.54 0.00 0.71 1.01 0.21 -1.66 120.40 126.96 1wln s VAL 84 Ca 0.06 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1wln s VAL 84 Cb -0.18 -4.80 0.00 0.00 0.00 0.00 0.00 36.38 31.40 1wln s VAL 84 CO 0.11 -1.56 0.00 -0.67 0.00 0.00 0.00 175.10 172.98 1wln n ASP 85 N 7.10 -1.97 0.00 3.32 -0.08 0.71 -3.39 116.55 122.24 1wln n ASP 85 Ca 0.19 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 1wln n ASP 85 Cb 0.49 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 43.45 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 -1.98 0.93 2.79 0.27 0.00 -1.24 -4.97 105.19 100.99 1wln n GLY 86 Ca 0.00 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.21 0.93 0.39 1.61 -0.21 -1.22 -5.02 119.66 114.93 1wln s GLN 87 Ca 0.00 -0.54 -0.26 0.00 0.02 0.00 0.00 55.36 54.58 1wln s GLN 87 Cb 0.00 -2.18 -0.09 0.00 1.00 0.00 0.00 33.01 31.74 1wln s GLN 87 CO 0.00 -0.61 1.20 0.50 -2.12 0.00 0.00 175.29 174.26 1wln s ARG 88 N 1.74 4.11 0.49 2.91 3.52 -1.26 0.67 118.95 131.14 1wln s ARG 88 Ca -0.02 1.93 0.08 0.00 -0.13 0.00 0.00 55.73 57.59 1wln s ARG 88 Cb -0.17 -2.77 0.03 0.00 -1.56 0.00 0.00 34.95 30.48 1wln s ARG 88 CO -0.07 -0.30 0.52 0.96 -0.81 0.00 0.00 175.30 175.60 1wln s ILE 89 N -1.34 2.28 0.00 4.11 -4.36 -0.86 -4.90 121.20 116.12 1wln s ILE 89 Ca 0.55 -1.25 0.00 0.00 -0.26 0.00 0.00 60.65 59.69 1wln s ILE 89 Cb -0.33 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 40.85 1wln s ILE 89 CO 0.42 0.00 0.69 -1.54 0.24 0.00 0.00 174.94 174.75 1wln n SER 90 N -1.83 0.00 0.00 4.36 3.41 -1.26 -4.85 113.62 113.45 1wln n SER 90 Ca 0.06 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1wln n SER 90 Cb 0.62 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1wln n SER 90 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1wln n GLU 91 N 0.00 -2.30 -1.50 4.33 0.28 -1.26 -5.01 120.64 115.18 1wln n GLU 91 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.57 1wln n GLU 91 Cb 0.58 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.38 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 0.77 0.07 -4.22 3.84 -1.04 -1.25 -4.64 114.28 107.81 1wln n THR 92 Ca 0.00 -0.41 -0.34 0.00 -2.04 0.00 0.00 64.05 61.26 1wln n THR 92 Cb 0.00 -1.90 -0.15 0.00 -1.82 0.00 0.00 70.33 66.46 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 9.40 2.72 0.62 12.58 2.01 -0.44 -4.92 115.64 137.61 1wln s THR 93 Ca 1.10 -0.73 -0.18 0.00 0.31 0.00 0.00 61.69 62.19 1wln s THR 93 Cb -0.66 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 1wln s THR 93 CO 0.40 0.49 0.78 0.23 -0.69 0.00 0.00 174.62 175.83 1wln n MET 94 N 4.43 0.67 -4.49 4.92 2.81 -1.26 -1.21 117.12 122.98 1wln n MET 94 Ca -0.19 0.27 -0.30 0.00 -1.81 0.00 0.00 57.70 55.66 1wln n MET 94 Cb 0.51 -1.99 -0.12 0.00 -0.71 0.00 0.00 33.22 30.91 1wln n MET 94 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wln s LEU 95 N -1.07 2.54 0.05 4.03 1.43 -0.22 -4.78 118.68 120.65 1wln s LEU 95 Ca 0.73 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 53.32 1wln s LEU 95 Cb -0.41 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1wln s LEU 95 CO 0.50 0.21 -0.17 -1.10 0.23 0.00 0.00 176.35 176.02 1wln s GLN 96 N -1.83 1.11 0.16 1.70 -0.21 -1.26 -4.69 119.66 114.64 1wln s GLN 96 Ca 0.15 -0.86 -0.34 0.00 0.02 0.00 0.00 55.36 54.34 1wln s GLN 96 Cb -0.10 -1.18 -0.13 0.00 1.00 0.00 0.00 33.01 32.60 1wln s GLN 96 CO 0.07 0.29 1.62 -1.13 -2.12 0.00 0.00 175.29 174.02 1wln n SER 97 N 1.81 3.28 0.00 5.90 3.41 -1.26 -1.31 113.62 125.45 1wln n SER 97 Ca -0.18 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 1wln n SER 97 Cb 0.54 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 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 3.56 2.88 3.54 5.00 0.00 0.31 -4.95 105.19 115.54 1wln n GLY 98 Ca 0.17 -0.60 -0.46 0.00 0.00 0.00 0.00 46.02 45.14 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 1.01 -3.25 1.61 2.81 -0.43 -4.60 117.12 114.26 1wln n MET 99 Ca 0.00 0.35 -0.39 0.00 -1.81 0.00 0.00 57.70 55.86 1wln n MET 99 Cb 0.00 -1.64 -0.06 0.00 -0.71 0.00 0.00 33.22 30.81 1wln n MET 99 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1wln s ARG 100 N -1.34 4.22 -0.27 0.03 0.52 -1.26 -1.22 118.95 119.64 1wln s ARG 100 Ca 0.61 0.77 -0.04 0.00 -0.52 0.00 0.00 55.73 56.55 1wln s ARG 100 Cb -0.77 -3.23 0.02 0.00 0.52 0.00 0.00 34.95 31.49 1wln s ARG 100 CO 0.58 0.63 -0.00 -0.51 0.02 0.00 0.00 175.30 176.02 1wln s LEU 101 N -1.13 3.48 -0.20 2.53 2.01 0.55 -0.21 118.68 125.72 1wln s LEU 101 Ca 0.30 -0.83 0.01 0.00 0.01 0.00 0.00 54.13 53.61 1wln s LEU 101 Cb -0.20 -1.75 0.03 0.00 0.01 0.00 0.00 46.19 44.28 1wln s LEU 101 CO 0.20 -0.16 -0.17 -1.58 1.01 0.00 0.00 176.35 175.65 1wln s GLN 102 N 1.39 2.88 -0.40 1.70 0.74 -0.67 0.21 119.66 125.51 1wln s GLN 102 Ca 0.01 -0.91 -0.03 0.00 0.05 0.00 0.00 55.36 54.47 1wln s GLN 102 Cb -0.17 -2.67 0.10 0.00 1.10 0.00 0.00 33.01 31.37 1wln s GLN 102 CO -0.02 -0.28 0.19 -0.06 -0.55 0.00 0.00 175.29 174.58 1wln s PHE 103 N 1.27 3.54 -0.77 1.67 0.08 -1.04 -0.37 117.98 122.36 1wln s PHE 103 Ca 0.03 -2.30 -0.02 0.00 0.12 0.00 0.00 56.93 54.76 1wln s PHE 103 Cb -0.14 -3.11 0.00 0.00 -0.57 0.00 0.00 43.02 39.20 1wln s PHE 103 CO -0.11 -0.95 0.23 0.41 -0.10 0.00 0.00 175.22 174.70 1wln n GLY 104 N 4.62 0.07 4.19 4.36 0.00 0.10 -3.35 105.19 115.19 1wln n GLY 104 Ca -0.04 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.88 -1.12 0.08 2.61 5.66 -1.26 -4.72 114.28 111.65 1wln n THR 105 Ca -0.07 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.45 1wln n THR 105 Cb 0.57 -1.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.27 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 -2.60 -0.01 -4.26 1.09 2.88 -1.21 -5.03 113.62 104.48 1wln n SER 106 Ca -0.28 0.28 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1wln n SER 106 Cb 0.64 0.20 -0.11 0.00 -0.75 0.00 0.00 64.21 64.19 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 -2.00 3.33 -0.15 0.66 4.02 -1.24 -5.00 115.29 114.91 1wln s HIS 107 Ca 0.00 -1.56 -0.12 0.00 1.02 0.00 0.00 55.06 54.40 1wln s HIS 107 Cb 0.00 -2.71 -0.05 0.00 -1.02 0.00 0.00 32.58 28.80 1wln s HIS 107 CO 0.00 -0.81 0.24 0.08 1.02 0.00 0.00 174.74 175.27 1wln s VAL 108 N 1.39 5.34 0.38 -0.90 1.01 -1.25 -2.48 120.40 123.88 1wln s VAL 108 Ca 0.02 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.47 1wln s VAL 108 Cb -0.22 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1wln s VAL 108 CO 0.02 0.46 0.16 -0.36 0.00 0.00 0.00 175.10 175.38 1wln s PHE 109 N 0.03 1.76 -0.14 5.22 0.08 0.57 -1.23 117.98 124.26 1wln s PHE 109 Ca 0.15 -1.36 -0.04 0.00 0.12 0.00 0.00 56.93 55.81 1wln s PHE 109 Cb -0.13 -1.04 0.05 0.00 -0.57 0.00 0.00 43.02 41.33 1wln s PHE 109 CO 0.03 -0.42 0.06 0.21 -0.10 0.00 0.00 175.22 175.00 1wln s LYS 110 N -3.68 0.23 0.30 0.44 2.20 -0.90 0.21 119.74 118.53 1wln s LYS 110 Ca 0.29 -0.06 -0.28 0.00 -0.36 0.00 0.00 55.97 55.56 1wln s LYS 110 Cb 0.03 -1.59 -0.09 0.00 -1.51 0.00 0.00 37.83 34.66 1wln s LYS 110 CO 0.17 -0.57 0.99 0.12 -0.36 0.00 0.00 175.35 175.70 1wln s PHE 111 N 2.06 3.71 0.08 4.03 2.19 -0.36 -0.43 117.98 129.27 1wln s PHE 111 Ca 0.02 1.79 0.02 0.00 0.33 0.00 0.00 56.93 59.10 1wln s PHE 111 Cb -0.15 -3.03 -0.04 0.00 -1.31 0.00 0.00 43.02 38.49 1wln s PHE 111 CO -0.07 0.04 -0.08 0.54 1.83 0.00 0.00 175.22 177.48 1wln s VAL 112 N -1.40 0.71 -0.36 3.12 0.11 0.77 0.11 120.40 123.45 1wln s VAL 112 Ca 0.47 -1.65 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 1wln s VAL 112 Cb -0.24 -1.33 0.13 0.00 -1.53 0.00 0.00 36.38 33.41 1wln s VAL 112 CO 0.30 -0.68 0.19 -0.62 -3.33 0.00 0.00 175.10 170.96 1wln s ASP 113 N -2.53 3.47 0.00 3.54 2.15 -1.26 -2.08 116.67 119.97 1wln s ASP 113 Ca 0.05 -2.12 0.23 0.00 0.43 0.00 0.00 52.55 51.14 1wln s ASP 113 Cb -0.01 -0.70 1.19 0.00 -0.30 0.00 0.00 42.92 43.11 1wln s ASP 113 CO -0.02 -0.33 1.75 -0.81 -0.17 0.00 0.00 175.17 175.58 1wln n PRO 114 N 4.18 0.39 -0.16 4.34 -0.04 -1.26 -3.05 135.00 139.41 1wln n PRO 114 Ca 0.06 0.06 -0.05 0.00 -0.04 0.00 0.00 63.50 63.53 1wln n PRO 114 Cb 0.38 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.86 -4.06 3.54 0.87 -1.82 -3.45 113.55 109.48 1wln h SER 115 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1wln h SER 115 Cb 0.18 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1wln h SER 115 CO 0.00 0.86 -0.53 0.61 -0.53 0.00 0.00 176.83 177.24 1wln n GLY 116 N -0.73 -4.00 3.73 5.77 0.00 -1.17 -4.89 105.19 103.89 1wln n GLY 116 Ca 0.04 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 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 -4.42 4.54 -0.11 1.61 0.04 -1.26 -4.97 135.00 130.42 1wln s PRO 117 Ca 0.00 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 62.67 1wln s PRO 117 Cb 0.00 -3.30 -0.09 0.00 0.04 0.00 0.00 34.50 31.15 1wln s PRO 117 CO 0.00 -0.04 0.28 1.03 0.04 0.00 0.00 177.00 178.30 1wln h SER 118 N 5.66 0.00 -4.38 6.66 0.87 -2.02 -3.50 113.55 116.84 1wln h SER 118 Ca -0.43 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 59.77 1wln h SER 118 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1wln h SER 118 CO 0.75 0.68 -0.94 -1.20 -0.53 0.00 0.00 176.83 175.60 1wln n SER 119 N -4.72 -8.92 0.00 6.23 7.64 -1.26 -5.34 113.62 107.25 1wln n SER 119 Ca -0.04 1.34 0.00 0.00 1.01 0.00 0.00 58.87 61.19 1wln n SER 119 Cb 0.17 -4.97 0.00 0.00 -1.01 0.00 0.00 64.21 58.40 1wln n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64