#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 -0.09 0.13 1.61 0.01 -1.26 -4.99 113.70 109.11 1wln s SER 2 Ca 0.00 0.13 -0.25 0.00 1.31 0.00 0.00 55.95 57.14 1wln s SER 2 Cb 0.00 0.12 0.07 0.00 0.21 0.00 0.00 66.02 66.41 1wln s SER 2 CO 0.00 -0.06 0.84 -0.44 0.41 0.00 0.00 173.24 174.00 1wln s SER 3 N -0.56 -0.31 0.01 2.44 0.01 -1.26 -5.12 113.70 108.91 1wln s SER 3 Ca 0.07 -0.26 0.06 0.00 1.31 0.00 0.00 55.95 57.14 1wln s SER 3 Cb -0.03 0.52 -0.02 0.00 0.21 0.00 0.00 66.02 66.70 1wln s SER 3 CO -0.10 -0.90 -0.18 -0.83 0.41 0.00 0.00 173.24 171.63 1wln s GLY 4 N -2.77 0.94 0.10 3.44 0.00 -1.26 -4.89 107.32 102.87 1wln s GLY 4 Ca 0.08 -0.87 -0.07 0.00 0.00 0.00 0.00 44.72 43.86 1wln s GLY 4 CO -0.03 -0.77 0.16 -0.45 0.00 0.00 0.00 173.10 172.01 1wln s SER 5 N -0.78 0.18 -0.40 1.64 0.15 -1.26 -5.13 113.70 108.11 1wln s SER 5 Ca 0.06 -0.77 0.02 0.00 0.70 0.00 0.00 55.95 55.96 1wln s SER 5 Cb -0.08 0.33 0.12 0.00 -1.71 0.00 0.00 66.02 64.68 1wln s SER 5 CO 0.00 -0.73 0.18 -0.55 1.20 0.00 0.00 173.24 173.34 1wln s SER 6 N -2.90 3.92 0.00 5.45 0.15 -1.26 -5.04 113.70 114.02 1wln s SER 6 Ca 0.08 -2.32 0.00 0.00 0.70 0.00 0.00 55.95 54.41 1wln s SER 6 Cb 0.05 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.28 1wln s SER 6 CO -0.09 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1wln n GLY 7 N 3.96 0.78 0.02 9.45 0.00 -1.26 -5.01 105.19 113.13 1wln n GLY 7 Ca 0.05 0.60 0.11 0.00 0.00 0.00 0.00 46.02 46.78 1wln n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wln n PRO 8 N 0.00 0.05 -0.77 1.61 -0.04 -1.26 -3.18 135.00 131.40 1wln n PRO 8 Ca 0.00 0.16 -0.15 0.00 -0.04 0.00 0.00 63.50 63.48 1wln n PRO 8 Cb 0.00 -1.57 0.06 0.00 -0.04 0.00 0.00 33.50 31.95 1wln n PRO 8 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wln n GLU 9 N -1.65 1.73 -0.79 0.54 0.28 -1.26 -3.44 120.64 116.04 1wln n GLU 9 Ca 0.05 -1.53 -0.04 0.00 -0.16 0.00 0.00 57.16 55.47 1wln n GLU 9 Cb 0.27 -1.60 -0.04 0.00 1.43 0.00 0.00 31.44 31.50 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 0.07 0.00 -4.25 3.44 2.85 -1.19 -4.86 118.16 114.23 1wln n LYS 10 Ca 0.30 -0.63 -0.18 0.00 -1.05 0.00 0.00 58.31 56.75 1wln n LYS 10 Cb 0.78 0.40 -0.11 0.00 -0.65 0.00 0.00 35.03 35.45 1wln n LYS 10 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1wln s LEU 11 N 0.00 2.40 0.16 -5.58 0.05 -1.22 -4.37 118.68 110.12 1wln s LEU 11 Ca 0.00 -0.81 -0.30 0.00 0.05 0.00 0.00 54.13 53.07 1wln s LEU 11 Cb 0.00 -0.57 -0.07 0.00 -2.05 0.00 0.00 46.19 43.49 1wln s LEU 11 CO 0.00 -0.13 1.13 -2.16 -0.55 0.00 0.00 176.35 174.63 1wln s PRO 12 N -2.66 4.55 0.27 1.48 0.04 -1.26 -4.31 135.00 133.11 1wln s PRO 12 Ca 0.09 1.74 0.04 0.00 0.04 0.00 0.00 61.00 62.92 1wln s PRO 12 Cb -0.05 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 1wln s PRO 12 CO 0.03 -0.01 -0.00 1.52 0.04 0.00 0.00 177.00 178.58 1wln s TYR 13 N 0.03 1.77 -0.28 0.56 1.13 -1.04 0.20 117.35 119.73 1wln s TYR 13 Ca 0.51 -0.87 0.01 0.00 -1.41 0.00 0.00 57.07 55.32 1wln s TYR 13 Cb -0.30 -1.06 0.05 0.00 -1.10 0.00 0.00 41.96 39.56 1wln s TYR 13 CO 0.34 0.07 -0.06 -0.51 -2.51 0.00 0.00 175.55 172.88 1wln s LEU 14 N -3.39 3.65 -0.49 -3.49 1.43 0.33 -1.90 118.68 114.82 1wln s LEU 14 Ca 0.31 -1.33 -0.20 0.00 -1.03 0.00 0.00 54.13 51.87 1wln s LEU 14 Cb 0.06 -1.63 0.05 0.00 0.03 0.00 0.00 46.19 44.70 1wln s LEU 14 CO 0.11 -0.22 0.65 0.54 0.23 0.00 0.00 176.35 177.66 1wln s VAL 15 N 1.17 4.83 0.19 -1.59 0.11 0.19 0.15 120.40 125.45 1wln s VAL 15 Ca -0.07 -0.26 -0.32 0.00 -2.93 0.00 0.00 61.98 58.40 1wln s VAL 15 Cb -0.20 -4.28 -0.16 0.00 -1.53 0.00 0.00 36.38 30.21 1wln s VAL 15 CO -0.03 -0.76 1.09 1.21 -3.33 0.00 0.00 175.10 173.28 1wln n GLU 16 N 6.28 1.08 -4.47 1.54 2.13 0.09 -0.82 120.64 126.47 1wln n GLU 16 Ca -0.05 0.38 -0.25 0.00 0.66 0.00 0.00 57.16 57.91 1wln n GLU 16 Cb 0.46 -1.83 -0.10 0.00 0.27 0.00 0.00 31.44 30.25 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 0.76 2.79 1.22 4.31 1.43 0.21 -4.49 118.68 124.90 1wln s LEU 17 Ca 0.71 -1.10 -0.18 0.00 -1.03 0.00 0.00 54.13 52.53 1wln s LEU 17 Cb -0.85 -1.13 0.25 0.00 0.03 0.00 0.00 46.19 44.49 1wln s LEU 17 CO 0.54 -0.16 0.55 -0.24 0.23 0.00 0.00 176.35 177.27 1wln n SER 18 N -0.81 -2.98 0.00 2.29 2.88 -0.84 -4.23 113.62 109.93 1wln n SER 18 Ca -0.05 -0.44 0.11 0.00 -1.33 0.00 0.00 58.87 57.17 1wln n SER 18 Cb 0.62 -0.98 0.61 0.00 -0.75 0.00 0.00 64.21 63.71 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 -3.74 0.44 -0.00 -1.46 -0.04 -1.26 -2.19 135.00 126.75 1wln n PRO 19 Ca 0.06 0.05 0.04 0.00 -0.04 0.00 0.00 63.50 63.61 1wln n PRO 19 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.21 1.49 -0.17 3.54 9.92 -1.26 -5.00 116.55 123.86 1wln n ASP 20 Ca 0.13 -0.41 0.00 0.00 -0.53 0.00 0.00 54.79 53.98 1wln n ASP 20 Cb 0.15 1.17 0.00 0.00 -0.64 0.00 0.00 41.12 41.80 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 1.54 1.05 3.44 0.44 0.00 -0.93 -5.10 105.19 105.62 1wln n GLY 21 Ca 0.00 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 1wln n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wln s SER 22 N -2.43 3.03 -0.65 1.61 1.04 -1.26 -4.85 113.70 110.19 1wln s SER 22 Ca 0.00 -1.15 -0.18 0.00 0.48 0.00 0.00 55.95 55.10 1wln s SER 22 Cb 0.00 -0.22 0.12 0.00 0.10 0.00 0.00 66.02 66.03 1wln s SER 22 CO 0.00 -0.24 0.73 1.51 0.98 0.00 0.00 173.24 176.21 1wln s ASP 23 N -3.47 6.30 1.34 7.02 -4.77 -1.26 -1.98 116.67 119.84 1wln s ASP 23 Ca 0.29 -1.69 -0.20 0.00 -3.30 0.00 0.00 52.55 47.66 1wln s ASP 23 Cb 0.02 -2.29 0.33 0.00 -1.09 0.00 0.00 42.92 39.89 1wln s ASP 23 CO 0.12 -1.02 0.83 -0.24 0.70 0.00 0.00 175.17 175.57 1wln n SER 24 N 5.94 -3.26 -2.85 2.11 2.88 -1.26 -4.83 113.62 112.36 1wln n SER 24 Ca -0.04 -0.58 -0.30 0.00 -1.33 0.00 0.00 58.87 56.61 1wln n SER 24 Cb 0.43 -1.07 -0.06 0.00 -0.75 0.00 0.00 64.21 62.77 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 -5.08 3.24 -2.01 -1.46 1.74 -1.26 -4.82 116.66 107.01 1wln n ARG 25 Ca 0.08 -2.43 -0.03 0.00 -0.77 0.00 0.00 57.85 54.70 1wln n ARG 25 Cb 0.56 -2.38 0.01 0.00 -1.02 0.00 0.00 32.46 29.63 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 1.88 -0.74 -4.36 0.55 -0.08 -1.26 -5.13 116.55 107.42 1wln n ASP 26 Ca 0.57 -1.56 -0.40 0.00 -1.51 0.00 0.00 54.79 51.89 1wln n ASP 26 Cb 0.47 1.24 -0.11 0.00 2.34 0.00 0.00 41.12 45.06 1wln n ASP 26 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1wln s LYS 27 N -2.07 2.78 0.64 -0.67 2.20 -1.26 -5.08 119.74 116.27 1wln s LYS 27 Ca 0.06 -1.14 -0.13 0.00 -0.36 0.00 0.00 55.97 54.40 1wln s LYS 27 Cb -0.01 -3.72 -0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1wln s LYS 27 CO 0.05 -0.73 1.05 -1.25 -0.36 0.00 0.00 175.35 174.11 1wln s PRO 28 N 1.53 3.19 0.66 4.03 0.04 -1.26 -5.02 135.00 138.16 1wln s PRO 28 Ca 0.02 1.07 -0.16 0.00 0.04 0.00 0.00 61.00 61.97 1wln s PRO 28 Cb -0.20 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 1wln s PRO 28 CO 0.06 -0.91 1.13 0.15 0.04 0.00 0.00 177.00 177.47 1wln s LYS 29 N -4.53 2.76 -0.11 4.56 -0.14 -1.26 -4.80 119.74 116.22 1wln s LYS 29 Ca 0.61 1.48 0.03 0.00 -1.36 0.00 0.00 55.97 56.73 1wln s LYS 29 Cb -0.15 -1.94 0.01 0.00 -1.68 0.00 0.00 37.83 34.07 1wln s LYS 29 CO 0.45 -1.30 -0.21 -1.17 -0.76 0.00 0.00 175.35 172.36 1wln s LEU 30 N -4.77 2.01 -0.82 3.17 2.96 -1.26 -0.73 118.68 119.23 1wln s LEU 30 Ca 0.69 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 1wln s LEU 30 Cb -0.22 -1.32 0.22 0.00 0.50 0.00 0.00 46.19 45.37 1wln s LEU 30 CO 0.40 0.11 0.78 -1.22 -1.32 0.00 0.00 176.35 175.11 1wln n TYR 31 N 3.74 3.72 -1.64 5.38 4.02 0.39 -4.89 117.16 127.87 1wln n TYR 31 Ca -0.20 -4.03 -0.49 0.00 -0.01 0.00 0.00 57.90 53.17 1wln n TYR 31 Cb 0.52 -0.92 -0.05 0.00 -0.02 0.00 0.00 39.34 38.87 1wln n TYR 31 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1wln n ARG 32 N 1.83 1.74 -2.48 -0.72 5.12 -1.26 -0.51 116.66 120.38 1wln n ARG 32 Ca 0.23 0.63 -0.42 0.00 -1.93 0.00 0.00 57.85 56.36 1wln n ARG 32 Cb 0.37 -2.35 0.01 0.00 -1.16 0.00 0.00 32.46 29.32 1wln n ARG 32 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1wln n LEU 33 N 3.38 6.86 -3.36 0.55 4.77 0.54 -4.86 117.00 124.88 1wln n LEU 33 Ca 0.18 -4.88 -0.32 0.00 -0.03 0.00 0.00 56.01 50.96 1wln n LEU 33 Cb 0.25 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 1wln n LEU 33 CO 0.64 1.61 -0.40 0.00 -1.33 0.00 0.00 177.39 177.92 1wln n GLN 34 N 2.62 0.00 -0.88 3.23 6.02 -1.26 -4.43 117.38 122.67 1wln n GLN 34 Ca 0.40 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 57.02 1wln n GLN 34 Cb 0.33 -0.78 0.08 0.00 1.02 0.00 0.00 30.24 30.89 1wln n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wln n LEU 35 N 1.87 -2.79 0.00 1.08 4.77 -1.26 -4.71 117.00 115.97 1wln n LEU 35 Ca 0.08 -0.05 0.11 0.00 -0.03 0.00 0.00 56.01 56.13 1wln n LEU 35 Cb 0.33 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 1wln n LEU 35 CO 0.43 -2.75 -0.15 -0.24 -1.33 0.00 0.00 177.39 173.34 1wln n SER 36 N 1.58 -5.48 -4.76 -1.43 2.88 -1.21 -4.79 113.62 100.41 1wln n SER 36 Ca -0.01 0.91 -0.37 0.00 -1.33 0.00 0.00 58.87 58.07 1wln n SER 36 Cb 0.71 -2.55 0.01 0.00 -0.75 0.00 0.00 64.21 61.63 1wln n SER 36 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wln s VAL 37 N -1.59 2.84 -0.23 2.46 0.11 -1.25 -2.74 120.40 119.99 1wln s VAL 37 Ca 0.00 0.59 -0.03 0.00 -2.93 0.00 0.00 61.98 59.60 1wln s VAL 37 Cb 0.00 -3.28 0.08 0.00 -1.53 0.00 0.00 36.38 31.65 1wln s VAL 37 CO 0.00 -0.05 0.08 -0.89 -3.33 0.00 0.00 175.10 170.92 1wln s THR 38 N -1.55 0.26 0.33 5.04 2.01 0.12 -4.88 115.64 116.96 1wln s THR 38 Ca 0.69 -0.63 -0.28 0.00 0.31 0.00 0.00 61.69 61.78 1wln s THR 38 Cb -0.30 -0.99 -0.10 0.00 0.01 0.00 0.00 72.50 71.12 1wln s THR 38 CO 0.35 -0.43 1.21 -1.61 -0.69 0.00 0.00 174.62 173.45 1wln s GLU 39 N 1.96 4.39 0.16 4.92 8.01 -1.26 0.38 118.70 137.27 1wln s GLU 39 Ca 0.04 2.01 0.09 0.00 0.01 0.00 0.00 54.97 57.12 1wln s GLU 39 Cb -0.17 -3.04 -0.04 0.00 -4.31 0.00 0.00 34.13 26.58 1wln s GLU 39 CO -0.18 -0.08 -0.20 0.08 0.01 0.00 0.00 175.26 174.89 1wln s VAL 40 N -1.20 1.93 -3.08 2.63 1.01 0.20 -1.49 120.40 120.40 1wln s VAL 40 Ca 0.49 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1wln s VAL 40 Cb -0.35 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1wln s VAL 40 CO 0.46 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1wln n GLY 41 N 0.44 0.60 0.78 4.51 0.00 -1.24 -0.06 105.19 110.21 1wln n GLY 41 Ca -0.14 -1.56 0.07 0.00 0.00 0.00 0.00 46.02 44.39 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 5.54 1.60 -4.26 2.61 -2.24 -0.17 0.20 114.28 117.56 1wln n THR 42 Ca 0.00 -1.40 -0.26 0.00 -2.27 0.00 0.00 64.05 60.13 1wln n THR 42 Cb 0.00 0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.84 2.27 -0.53 -0.78 0.41 -1.20 -4.91 118.70 112.13 1wln s GLU 43 Ca 0.32 -1.24 -0.04 0.00 -0.41 0.00 0.00 54.97 53.60 1wln s GLU 43 Cb 0.23 -2.24 0.14 0.00 -1.78 0.00 0.00 34.13 30.47 1wln s GLU 43 CO 0.13 0.42 0.35 0.21 -0.49 0.00 0.00 175.26 175.88 1wln s LYS 44 N -3.12 2.37 -0.14 1.61 2.20 -1.26 -4.76 119.74 116.64 1wln s LYS 44 Ca 0.28 -2.15 -0.09 0.00 -0.36 0.00 0.00 55.97 53.64 1wln s LYS 44 Cb -0.08 -3.72 -0.06 0.00 -1.51 0.00 0.00 37.83 32.45 1wln s LYS 44 CO 0.18 -1.14 -0.00 0.74 -0.36 0.00 0.00 175.35 174.77 1wln h PHE 45 N 7.64 0.00 -1.52 4.03 -1.00 -1.91 -3.48 116.94 120.70 1wln h PHE 45 Ca -0.08 0.00 -0.44 0.00 2.81 0.00 0.00 57.97 60.26 1wln h PHE 45 Cb 1.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.57 1wln h PHE 45 CO 0.65 0.26 -0.30 -0.51 -1.61 0.00 0.00 178.31 176.79 1wln s ASP 46 N -5.85 5.55 0.26 2.17 1.01 -1.26 -5.01 116.67 113.54 1wln s ASP 46 Ca -0.12 -0.47 0.03 0.00 0.71 0.00 0.00 52.55 52.70 1wln s ASP 46 Cb 0.01 -0.72 0.35 0.00 1.01 0.00 0.00 42.92 43.57 1wln s ASP 46 CO 0.23 -0.68 1.65 0.44 0.21 0.00 0.00 175.17 177.02 1wln h ASP 47 N 0.78 0.40 -2.25 0.27 3.32 -2.01 -3.21 116.42 113.72 1wln h ASP 47 Ca -0.41 -0.17 -0.61 0.00 0.02 0.00 0.00 57.03 55.86 1wln h ASP 47 Cb 1.27 -0.11 -0.41 0.00 0.22 0.00 0.00 39.33 40.30 1wln h ASP 47 CO 0.49 0.77 -0.52 0.59 -1.72 0.00 0.00 179.24 178.85 1wln n ASN 48 N -4.02 4.72 -4.99 6.45 3.02 -1.26 -5.05 115.26 114.13 1wln n ASN 48 Ca -0.02 -3.69 -0.21 0.00 -0.03 0.00 0.00 54.58 50.64 1wln n ASN 48 Cb 0.50 -0.60 0.03 0.00 -0.61 0.00 0.00 39.78 39.10 1wln n ASN 48 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1wln s SER 49 N -3.33 5.10 0.05 6.41 0.15 -1.22 -4.78 113.70 116.08 1wln s SER 49 Ca 0.48 -0.85 -0.10 0.00 0.70 0.00 0.00 55.95 56.18 1wln s SER 49 Cb 0.28 0.08 -0.06 0.00 -1.71 0.00 0.00 66.02 64.61 1wln s SER 49 CO -0.14 -1.13 0.38 -0.63 1.20 0.00 0.00 173.24 172.91 1wln s ILE 50 N -2.62 5.12 -0.31 6.45 1.01 -0.55 -5.02 121.20 125.28 1wln s ILE 50 Ca 0.54 0.49 -0.02 0.00 0.00 0.00 0.00 60.65 61.66 1wln s ILE 50 Cb -0.05 -3.64 0.10 0.00 0.01 0.00 0.00 42.46 38.88 1wln s ILE 50 CO 0.33 0.36 0.12 -1.58 0.00 0.00 0.00 174.94 174.18 1wln s GLN 51 N -1.70 0.53 0.09 2.79 0.74 -1.26 -3.70 119.66 117.15 1wln s GLN 51 Ca 0.30 -0.91 0.00 0.00 0.05 0.00 0.00 55.36 54.80 1wln s GLN 51 Cb -0.14 -1.67 -0.04 0.00 1.10 0.00 0.00 33.01 32.26 1wln s GLN 51 CO 0.16 -1.01 0.24 -0.51 -0.55 0.00 0.00 175.29 173.63 1wln s LEU 52 N 1.74 4.35 -0.14 3.68 1.43 0.52 -4.96 118.68 125.30 1wln s LEU 52 Ca 0.10 0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1wln s LEU 52 Cb -0.17 -2.97 0.05 0.00 0.03 0.00 0.00 46.19 43.13 1wln s LEU 52 CO -0.28 0.12 0.03 -0.36 0.23 0.00 0.00 176.35 176.10 1wln s PHE 53 N -1.59 0.72 0.17 0.29 0.08 -1.26 -3.75 117.98 112.63 1wln s PHE 53 Ca 0.35 -0.47 -0.23 0.00 0.12 0.00 0.00 56.93 56.71 1wln s PHE 53 Cb -0.12 -0.87 0.07 0.00 -0.57 0.00 0.00 43.02 41.53 1wln s PHE 53 CO 0.28 -0.47 0.61 0.20 -0.10 0.00 0.00 175.22 175.74 1wln s GLY 54 N 1.96 -0.57 -0.76 4.36 0.00 -1.26 -4.94 107.32 106.10 1wln s GLY 54 Ca 0.02 0.42 -0.26 0.00 0.00 0.00 0.00 44.72 44.90 1wln s GLY 54 CO -0.07 0.13 1.60 2.56 0.00 0.00 0.00 173.10 177.33 1wln s PRO 55 N -3.76 2.96 0.00 2.90 0.04 -1.26 -2.05 135.00 133.83 1wln s PRO 55 Ca 0.02 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 60.96 1wln s PRO 55 Cb -0.01 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.96 1wln s PRO 55 CO -0.11 -2.54 0.00 0.41 0.04 0.00 0.00 177.00 174.79 1wln n GLY 56 N 5.95 0.85 3.85 0.56 0.00 -1.26 -4.97 105.19 110.16 1wln n GLY 56 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.69 4.59 0.54 -0.61 -1.09 -0.87 -4.87 121.20 117.19 1wln s ILE 57 Ca 0.00 1.08 0.04 0.00 -2.23 0.00 0.00 60.65 59.54 1wln s ILE 57 Cb 0.00 -3.67 0.02 0.00 -1.58 0.00 0.00 42.46 37.23 1wln s ILE 57 CO 0.00 -0.47 0.26 -1.10 -1.23 0.00 0.00 174.94 172.40 1wln s GLN 58 N -3.61 2.23 -0.06 2.79 -1.52 -1.26 -4.94 119.66 113.29 1wln s GLN 58 Ca 0.57 -2.17 -0.10 0.00 -1.95 0.00 0.00 55.36 51.71 1wln s GLN 58 Cb -0.10 -1.88 -0.06 0.00 -0.22 0.00 0.00 33.01 30.75 1wln s GLN 58 CO 0.25 -0.54 0.41 -1.00 -0.25 0.00 0.00 175.29 174.15 1wln h PRO 59 N 0.96 -0.32 -3.33 2.91 0.13 -1.90 -0.43 132.00 130.01 1wln h PRO 59 Ca -0.39 0.02 -0.78 0.00 -0.87 0.00 0.00 66.00 63.98 1wln h PRO 59 Cb 1.31 0.07 -0.30 0.00 0.13 0.00 0.00 31.00 32.21 1wln h PRO 59 CO 0.63 -0.20 0.39 1.58 -0.23 0.00 0.00 178.00 180.17 1wln n HIS 60 N -5.00 4.38 0.07 1.56 -0.00 -1.26 -2.83 115.22 112.14 1wln n HIS 60 Ca -0.04 -3.68 -0.03 0.00 0.46 0.00 0.00 57.72 54.43 1wln n HIS 60 Cb 0.14 -1.46 -0.01 0.00 -0.12 0.00 0.00 29.99 28.54 1wln n HIS 60 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1wln h HIS 61 N 6.17 -0.16 -3.49 1.57 2.76 -0.68 -3.29 115.15 118.04 1wln h HIS 61 Ca 0.18 -0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.22 1wln h HIS 61 Cb 0.80 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.78 1wln h HIS 61 CO 0.80 -0.10 0.08 0.00 -1.30 0.00 0.00 177.93 177.41 1wln s ASP 63 N -3.15 1.53 -0.49 0.00 1.01 -0.56 0.58 116.67 115.60 1wln s ASP 63 Ca 0.22 -0.11 -0.24 0.00 0.71 0.00 0.00 52.55 53.13 1wln s ASP 63 Cb -0.03 -0.47 0.03 0.00 1.01 0.00 0.00 42.92 43.46 1wln s ASP 63 CO 0.15 -0.17 0.90 -0.76 0.21 0.00 0.00 175.17 175.51 1wln s LEU 64 N 1.79 4.10 -0.50 1.23 2.01 0.16 -2.67 118.68 124.79 1wln s LEU 64 Ca 0.03 -0.11 -0.19 0.00 0.01 0.00 0.00 54.13 53.87 1wln s LEU 64 Cb -0.13 -3.01 0.06 0.00 0.01 0.00 0.00 46.19 43.12 1wln s LEU 64 CO -0.05 -1.09 0.60 -0.89 1.01 0.00 0.00 176.35 175.93 1wln s THR 65 N 3.72 4.92 -0.43 5.49 2.01 -1.16 0.12 115.64 130.31 1wln s THR 65 Ca 0.33 -0.57 -0.22 0.00 0.31 0.00 0.00 61.69 61.54 1wln s THR 65 Cb -0.11 -4.28 0.02 0.00 0.01 0.00 0.00 72.50 68.14 1wln s THR 65 CO 0.23 -0.78 0.71 0.21 -0.69 0.00 0.00 174.62 174.30 1wln s ASN 66 N 2.69 6.39 -0.47 3.53 2.47 -1.11 -2.62 114.94 125.81 1wln s ASN 66 Ca 0.14 -0.14 -0.01 0.00 0.42 0.00 0.00 52.86 53.26 1wln s ASN 66 Cb -0.20 -2.35 0.13 0.00 -1.45 0.00 0.00 41.25 37.37 1wln s ASN 66 CO 0.11 -0.81 0.25 -0.04 -3.72 0.00 0.00 177.10 172.90 1wln s MET 67 N 3.01 2.08 0.00 0.43 -1.94 0.37 -3.35 119.30 119.90 1wln s MET 67 Ca 0.26 -2.12 0.00 0.00 -1.71 0.00 0.00 55.69 52.13 1wln s MET 67 Cb -0.13 -3.54 0.00 0.00 2.01 0.00 0.00 34.83 33.17 1wln s MET 67 CO 0.20 -1.09 0.00 -3.47 -0.01 0.00 0.00 175.02 170.65 1wln n ASP 68 N 4.07 -3.36 0.00 3.03 -0.08 -1.26 -1.92 116.55 117.03 1wln n ASP 68 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1wln n ASP 68 Cb 0.39 -1.79 0.00 0.00 2.34 0.00 0.00 41.12 42.06 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 -1.27 1.08 3.69 0.27 0.00 -1.26 -5.09 105.19 102.60 1wln n GLY 69 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1wln n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wln s VAL 70 N -0.89 3.97 -0.07 1.61 0.11 -0.81 -4.71 120.40 119.61 1wln s VAL 70 Ca 0.00 1.35 0.03 0.00 -2.93 0.00 0.00 61.98 60.42 1wln s VAL 70 Cb 0.00 -3.86 -0.02 0.00 -1.53 0.00 0.00 36.38 30.96 1wln s VAL 70 CO 0.00 0.02 -0.14 -0.69 -3.33 0.00 0.00 175.10 170.96 1wln s VAL 71 N 2.04 3.10 -0.10 2.04 1.01 -1.25 0.14 120.40 127.38 1wln s VAL 71 Ca 0.60 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1wln s VAL 71 Cb -0.29 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 33.89 1wln s VAL 71 CO 0.25 0.58 -0.05 0.42 0.00 0.00 0.00 175.10 176.30 1wln s THR 72 N -0.52 0.80 -0.21 3.92 -4.23 -1.08 0.56 115.64 114.87 1wln s THR 72 Ca 0.07 -0.16 -0.29 0.00 -1.18 0.00 0.00 61.69 60.13 1wln s THR 72 Cb -0.12 -0.88 -0.01 0.00 1.34 0.00 0.00 72.50 72.83 1wln s THR 72 CO 0.02 0.31 1.35 0.54 -0.54 0.00 0.00 174.62 176.30 1wln s VAL 73 N 1.80 4.10 -0.34 2.29 0.11 -0.26 -2.99 120.40 125.11 1wln s VAL 73 Ca 0.05 1.29 -0.00 0.00 -2.93 0.00 0.00 61.98 60.38 1wln s VAL 73 Cb -0.13 -3.98 0.08 0.00 -1.53 0.00 0.00 36.38 30.83 1wln s VAL 73 CO -0.07 -0.28 0.07 -0.89 -3.33 0.00 0.00 175.10 170.60 1wln s THR 74 N 4.09 2.86 -0.30 5.04 2.01 -1.09 -1.81 115.64 126.45 1wln s THR 74 Ca 0.59 -1.85 -0.29 0.00 0.31 0.00 0.00 61.69 60.45 1wln s THR 74 Cb -0.21 -2.86 -0.00 0.00 0.01 0.00 0.00 72.50 69.44 1wln s THR 74 CO 0.21 -0.41 1.35 -2.16 -0.69 0.00 0.00 174.62 172.92 1wln s PRO 75 N 1.12 3.87 -0.30 4.92 0.04 -1.26 -1.49 135.00 141.90 1wln s PRO 75 Ca 0.03 1.27 0.08 0.00 0.04 0.00 0.00 61.00 62.41 1wln s PRO 75 Cb -0.21 -3.91 0.46 0.00 0.04 0.00 0.00 34.50 30.88 1wln s PRO 75 CO -0.04 -1.18 1.33 0.54 0.04 0.00 0.00 177.00 177.69 1wln n ARG 76 N 7.42 2.61 -4.17 4.56 5.12 -0.97 -4.93 116.66 126.30 1wln n ARG 76 Ca 0.15 -3.66 -0.18 0.00 -1.93 0.00 0.00 57.85 52.24 1wln n ARG 76 Cb 0.47 -2.01 -0.12 0.00 -1.16 0.00 0.00 32.46 29.64 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 -3.12 1.54 -1.07 0.55 0.01 -1.24 -4.87 113.70 105.50 1wln s SER 77 Ca 0.47 -0.59 -0.02 0.00 1.31 0.00 0.00 55.95 57.13 1wln s SER 77 Cb 0.41 -0.04 0.29 0.00 0.21 0.00 0.00 66.02 66.89 1wln s SER 77 CO -0.00 -0.09 1.92 1.15 0.41 0.00 0.00 173.24 176.63 1wln n MET 78 N 1.36 5.28 0.00 12.44 0.00 -1.26 -4.09 117.12 130.85 1wln n MET 78 Ca -0.21 -4.46 0.00 0.00 0.00 0.00 0.00 57.70 53.02 1wln n MET 78 Cb 0.54 -2.49 0.00 0.00 0.00 0.00 0.00 33.22 31.27 1wln n MET 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1wln n ASP 79 N 0.20 0.00 -4.57 3.17 8.00 -1.26 -5.09 116.55 117.00 1wln n ASP 79 Ca 0.49 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.61 1wln n ASP 79 Cb 0.26 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1wln n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wln s ALA 80 N 0.00 2.06 -0.15 2.24 0.00 -1.26 -4.91 121.76 119.74 1wln s ALA 80 Ca 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.98 1wln s ALA 80 Cb 0.00 -4.24 -0.02 0.00 0.00 0.00 0.00 23.12 18.86 1wln s ALA 80 CO 0.00 -3.82 0.83 -1.21 0.00 0.00 0.00 175.76 171.55 1wln s GLU 81 N 7.50 4.33 -0.30 0.00 8.01 -1.26 -4.85 118.70 132.13 1wln s GLU 81 Ca 0.97 1.03 0.01 0.00 0.01 0.00 0.00 54.97 56.99 1wln s GLU 81 Cb -0.23 -3.56 0.09 0.00 -4.31 0.00 0.00 34.13 26.13 1wln s GLU 81 CO 0.29 -0.27 0.06 0.99 0.01 0.00 0.00 175.26 176.34 1wln s THR 82 N 1.95 1.33 -0.33 3.63 2.01 -1.25 -2.01 115.64 120.97 1wln s THR 82 Ca 0.39 -1.60 -0.12 0.00 0.31 0.00 0.00 61.69 60.67 1wln s THR 82 Cb -0.17 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 1wln s THR 82 CO 0.14 -0.56 0.21 -0.31 -0.69 0.00 0.00 174.62 173.41 1wln s TYR 83 N 1.40 3.21 -0.89 4.92 2.02 -0.77 -2.16 117.35 125.08 1wln s TYR 83 Ca 0.08 -0.34 -0.20 0.00 -0.37 0.00 0.00 57.07 56.24 1wln s TYR 83 Cb -0.18 -2.43 0.11 0.00 -0.40 0.00 0.00 41.96 39.06 1wln s TYR 83 CO -0.17 -0.39 1.14 0.08 -1.57 0.00 0.00 175.55 174.64 1wln s VAL 84 N 1.68 4.54 -0.15 0.71 1.01 0.27 -2.04 120.40 126.42 1wln s VAL 84 Ca 0.06 -1.24 -0.00 0.00 0.00 0.00 0.00 61.98 60.79 1wln s VAL 84 Cb -0.17 -4.80 0.00 0.00 0.00 0.00 0.00 36.38 31.40 1wln s VAL 84 CO 0.09 -1.56 0.00 -0.67 0.00 0.00 0.00 175.10 172.96 1wln n ASP 85 N 7.09 -1.47 -0.01 3.32 2.03 -0.99 -3.49 116.55 123.04 1wln n ASP 85 Ca 0.20 -0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1wln n ASP 85 Cb 0.49 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 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 -0.98 0.89 2.65 0.27 0.00 -1.25 -4.95 105.19 101.82 1wln n GLY 86 Ca -0.02 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.05 0.08 0.42 1.61 -0.21 -1.23 -5.03 119.66 112.25 1wln s GLN 87 Ca 0.00 0.02 -0.25 0.00 0.02 0.00 0.00 55.36 55.15 1wln s GLN 87 Cb 0.00 -1.59 -0.08 0.00 1.00 0.00 0.00 33.01 32.34 1wln s GLN 87 CO 0.00 -0.64 1.20 0.50 -2.12 0.00 0.00 175.29 174.24 1wln s ARG 88 N 2.18 3.93 0.21 2.91 3.52 -1.26 0.96 118.95 131.41 1wln s ARG 88 Ca 0.03 1.91 0.08 0.00 -0.13 0.00 0.00 55.73 57.62 1wln s ARG 88 Cb -0.16 -2.62 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 1wln s ARG 88 CO -0.09 -0.44 0.04 0.96 -0.81 0.00 0.00 175.30 174.95 1wln s ILE 89 N -1.41 3.81 -0.02 4.11 -4.36 -0.92 -4.89 121.20 117.53 1wln s ILE 89 Ca 0.59 -1.53 0.06 0.00 -0.26 0.00 0.00 60.65 59.51 1wln s ILE 89 Cb -0.32 -2.97 -0.10 0.00 1.25 0.00 0.00 42.46 40.32 1wln s ILE 89 CO 0.40 -0.22 0.12 -1.54 0.24 0.00 0.00 174.94 173.94 1wln n SER 90 N -0.51 3.50 -2.17 4.36 3.41 -1.26 -4.84 113.62 116.11 1wln n SER 90 Ca -0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.43 1wln n SER 90 Cb 0.57 1.18 -0.03 0.00 -0.26 0.00 0.00 64.21 65.66 1wln n SER 90 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wln n GLU 91 N -1.82 0.28 -1.50 4.33 -0.58 -1.26 -4.87 120.64 115.21 1wln n GLU 91 Ca -0.03 -1.71 -0.46 0.00 -0.42 0.00 0.00 57.16 54.53 1wln n GLU 91 Cb 0.27 1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 32.57 1wln n GLU 91 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1wln n THR 92 N -0.33 0.18 -4.12 2.62 -1.04 -1.26 -4.68 114.28 105.65 1wln n THR 92 Ca 0.03 -0.37 -0.34 0.00 -2.04 0.00 0.00 64.05 61.33 1wln n THR 92 Cb 0.33 -1.97 -0.14 0.00 -1.82 0.00 0.00 70.33 66.72 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 8.30 3.07 0.40 12.58 2.01 -0.75 -4.93 115.64 136.32 1wln s THR 93 Ca 1.07 -0.61 -0.27 0.00 0.31 0.00 0.00 61.69 62.20 1wln s THR 93 Cb -0.66 -2.36 -0.10 0.00 0.01 0.00 0.00 72.50 69.39 1wln s THR 93 CO 0.42 0.47 1.45 0.80 -0.69 0.00 0.00 174.62 177.07 1wln n MET 94 N 4.50 2.46 -4.14 4.92 1.56 -1.26 -1.10 117.12 124.06 1wln n MET 94 Ca -0.19 0.87 -0.34 0.00 -0.27 0.00 0.00 57.70 57.77 1wln n MET 94 Cb 0.51 -2.62 -0.08 0.00 2.15 0.00 0.00 33.22 33.19 1wln n MET 94 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wln s LEU 95 N -2.18 3.90 0.08 -0.89 1.43 0.19 -4.85 118.68 116.35 1wln s LEU 95 Ca 0.56 0.21 0.09 0.00 -1.03 0.00 0.00 54.13 53.97 1wln s LEU 95 Cb -0.47 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 1wln s LEU 95 CO 0.61 0.33 -0.25 -1.10 0.23 0.00 0.00 176.35 176.18 1wln s GLN 96 N -1.34 1.52 0.14 1.70 -0.21 -1.26 -4.51 119.66 115.69 1wln s GLN 96 Ca 0.18 -1.15 -0.33 0.00 0.02 0.00 0.00 55.36 54.09 1wln s GLN 96 Cb -0.12 -1.78 -0.12 0.00 1.00 0.00 0.00 33.01 31.99 1wln s GLN 96 CO 0.08 0.44 1.73 -1.13 -2.12 0.00 0.00 175.29 174.30 1wln n SER 97 N 1.47 3.68 0.00 5.90 3.41 -1.26 -1.57 113.62 125.25 1wln n SER 97 Ca -0.18 1.04 0.00 0.00 -0.26 0.00 0.00 58.87 59.47 1wln n SER 97 Cb 0.53 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 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 3.93 2.67 3.63 5.00 0.00 0.11 -4.96 105.19 115.57 1wln n GLY 98 Ca 0.18 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 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 1.13 -2.71 1.61 2.00 -0.61 -4.73 117.12 113.82 1wln n MET 99 Ca 0.00 0.42 -0.24 0.00 0.00 0.00 0.00 57.70 57.88 1wln n MET 99 Cb 0.00 -2.18 0.02 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 -2.55 2.96 -0.14 0.03 0.52 -1.26 -2.17 118.95 116.35 1wln s ARG 100 Ca 0.71 -0.30 -0.02 0.00 -0.52 0.00 0.00 55.73 55.60 1wln s ARG 100 Cb -0.45 -2.43 0.05 0.00 0.52 0.00 0.00 34.95 32.63 1wln s ARG 100 CO 0.50 -0.49 0.02 -1.17 0.02 0.00 0.00 175.30 174.19 1wln s LEU 101 N -4.76 0.84 -0.29 2.53 1.98 0.56 -2.34 118.68 117.21 1wln s LEU 101 Ca 0.51 -0.47 -0.03 0.00 -2.89 0.00 0.00 54.13 51.26 1wln s LEU 101 Cb -0.10 -0.50 0.04 0.00 0.66 0.00 0.00 46.19 46.29 1wln s LEU 101 CO 0.41 -0.26 0.00 -1.58 -1.89 0.00 0.00 176.35 173.03 1wln s GLN 102 N 1.93 2.60 -0.76 1.98 0.74 -0.86 -0.09 119.66 125.20 1wln s GLN 102 Ca 0.02 -1.15 -0.02 0.00 0.05 0.00 0.00 55.36 54.26 1wln s GLN 102 Cb -0.15 -3.17 0.19 0.00 1.10 0.00 0.00 33.01 30.98 1wln s GLN 102 CO -0.07 -0.56 0.61 -0.06 -0.55 0.00 0.00 175.29 174.67 1wln s PHE 103 N 1.30 3.65 0.00 1.67 0.08 -0.98 -1.84 117.98 121.87 1wln s PHE 103 Ca -0.03 -2.90 0.00 0.00 0.12 0.00 0.00 56.93 54.12 1wln s PHE 103 Cb -0.19 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.06 1wln s PHE 103 CO -0.01 -0.77 0.00 0.41 -0.10 0.00 0.00 175.22 174.74 1wln n GLY 104 N 2.83 1.12 3.11 4.36 0.00 -0.85 -3.97 105.19 111.79 1wln n GLY 104 Ca 0.15 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.45 0.00 0.05 2.61 -2.24 -1.26 -4.62 114.28 106.37 1wln n THR 105 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1wln n THR 105 Cb 0.26 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1wln n THR 105 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wln n SER 106 N -1.73 0.82 -4.51 3.42 7.64 -1.26 -5.02 113.62 112.98 1wln n SER 106 Ca 0.04 0.16 -0.36 0.00 1.01 0.00 0.00 58.87 59.72 1wln n SER 106 Cb 0.45 -0.21 -0.12 0.00 -1.01 0.00 0.00 64.21 63.33 1wln n SER 106 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1wln s HIS 107 N -2.00 3.14 -0.08 1.43 4.02 -1.25 -4.92 115.29 115.63 1wln s HIS 107 Ca 0.00 -0.21 -0.01 0.00 1.02 0.00 0.00 55.06 55.87 1wln s HIS 107 Cb 0.00 -2.23 -0.03 0.00 -1.02 0.00 0.00 32.58 29.30 1wln s HIS 107 CO 0.00 -0.21 -0.03 0.08 1.02 0.00 0.00 174.74 175.60 1wln s VAL 108 N 1.37 3.99 0.07 -0.90 1.01 -1.26 -2.31 120.40 122.38 1wln s VAL 108 Ca 0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 1wln s VAL 108 Cb -0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1wln s VAL 108 CO 0.05 0.60 -0.02 -0.36 0.00 0.00 0.00 175.10 175.36 1wln s PHE 109 N -0.77 0.62 -0.17 5.22 0.40 0.88 0.63 117.98 124.80 1wln s PHE 109 Ca 0.12 -1.07 0.01 0.00 -0.60 0.00 0.00 56.93 55.38 1wln s PHE 109 Cb -0.11 -0.42 0.03 0.00 0.51 0.00 0.00 43.02 43.02 1wln s PHE 109 CO 0.02 -0.36 -0.13 0.21 0.70 0.00 0.00 175.22 175.65 1wln s LYS 110 N -3.92 2.26 0.03 0.44 2.36 0.00 0.21 119.74 121.11 1wln s LYS 110 Ca 0.10 -0.66 -0.25 0.00 -2.55 0.00 0.00 55.97 52.61 1wln s LYS 110 Cb 0.08 -2.23 -0.05 0.00 -1.05 0.00 0.00 37.83 34.58 1wln s LYS 110 CO -0.08 -0.29 0.75 0.12 1.55 0.00 0.00 175.35 177.40 1wln s PHE 111 N 1.45 3.71 0.02 4.03 2.19 -0.92 -0.64 117.98 127.82 1wln s PHE 111 Ca 0.03 1.43 0.02 0.00 0.33 0.00 0.00 56.93 58.74 1wln s PHE 111 Cb -0.14 -2.81 -0.01 0.00 -1.31 0.00 0.00 43.02 38.75 1wln s PHE 111 CO -0.10 0.25 -0.07 0.08 1.83 0.00 0.00 175.22 177.20 1wln s VAL 112 N 0.07 0.56 -0.39 3.12 1.01 -0.80 0.08 120.40 124.05 1wln s VAL 112 Ca 0.38 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 1wln s VAL 112 Cb -0.20 -0.53 0.09 0.00 0.00 0.00 0.00 36.38 35.74 1wln s VAL 112 CO 0.22 -0.06 0.17 -0.62 0.00 0.00 0.00 175.10 174.81 1wln s ASP 113 N -0.74 5.26 0.43 3.32 2.15 -1.26 -2.49 116.67 123.34 1wln s ASP 113 Ca -0.02 -1.73 0.24 0.00 0.43 0.00 0.00 52.55 51.46 1wln s ASP 113 Cb -0.06 -1.84 0.69 0.00 -0.30 0.00 0.00 42.92 41.42 1wln s ASP 113 CO 0.00 -0.48 1.73 1.55 -0.17 0.00 0.00 175.17 177.80 1wln h PRO 114 N 8.12 0.00 -0.63 4.34 0.13 -1.90 -3.25 132.00 138.81 1wln h PRO 114 Ca -0.17 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.08 1wln h PRO 114 Cb 1.06 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.07 1wln h PRO 114 CO 0.67 0.18 -0.18 1.03 -0.23 0.00 0.00 178.00 179.47 1wln h SER 115 N 0.00 -0.67 -2.07 1.44 0.87 -1.86 -3.47 113.55 107.79 1wln h SER 115 Ca -0.00 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1wln h SER 115 Cb 0.89 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1wln h SER 115 CO 0.02 -0.23 0.00 0.61 -0.53 0.00 0.00 176.83 176.71 1wln n GLY 116 N -1.44 3.48 2.95 5.77 0.00 -1.23 -4.91 105.19 109.82 1wln n GLY 116 Ca 0.07 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.42 2.14 -3.02 1.61 -0.04 -1.26 -4.92 135.00 129.08 1wln n PRO 117 Ca 0.00 -2.22 -0.38 0.00 -0.04 0.00 0.00 63.50 60.86 1wln n PRO 117 Cb 0.00 -3.11 -0.06 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 s SER 118 N 4.20 7.24 -0.50 3.54 0.15 -1.26 -5.02 113.70 122.05 1wln s SER 118 Ca 0.53 1.56 0.07 0.00 0.70 0.00 0.00 55.95 58.80 1wln s SER 118 Cb 0.14 -2.47 0.19 0.00 -1.71 0.00 0.00 66.02 62.17 1wln s SER 118 CO 0.02 0.11 0.72 -0.55 1.20 0.00 0.00 173.24 174.75 1wln s SER 119 N -1.40 -1.43 0.00 5.45 0.15 -1.26 -5.23 113.70 109.99 1wln s SER 119 Ca 0.40 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.52 1wln s SER 119 Cb -0.20 1.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.97 1wln s SER 119 CO 0.24 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.22