#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9j s SER 2 N 0.00 -0.35 0.11 1.61 0.01 -1.26 -5.19 113.70 108.64 2e9j s SER 2 Ca 0.00 -0.31 -0.25 0.00 1.31 0.00 0.00 55.95 56.70 2e9j s SER 2 Cb 0.00 0.60 0.08 0.00 0.21 0.00 0.00 66.02 66.91 2e9j s SER 2 CO 0.00 -1.06 1.12 -0.94 0.41 0.00 0.00 173.24 172.77 2e9j s SER 3 N -2.82 -0.01 0.29 2.44 1.04 -1.26 -5.19 113.70 108.19 2e9j s SER 3 Ca 0.07 -0.49 -0.07 0.00 0.48 0.00 0.00 55.95 55.94 2e9j s SER 3 Cb -0.03 0.38 -0.00 0.00 0.10 0.00 0.00 66.02 66.47 2e9j s SER 3 CO -0.02 -0.75 0.45 -0.83 0.98 0.00 0.00 173.24 173.08 2e9j s GLY 4 N -3.45 1.02 0.25 7.32 0.00 -1.26 -5.18 107.32 106.02 2e9j s GLY 4 Ca 0.23 -1.22 -0.16 0.00 0.00 0.00 0.00 44.72 43.56 2e9j s GLY 4 CO 0.03 -0.85 0.55 -0.45 0.00 0.00 0.00 173.10 172.38 2e9j s SER 5 N -3.13 -0.15 0.15 1.64 0.15 -1.26 -5.18 113.70 105.91 2e9j s SER 5 Ca 0.27 -0.80 0.05 0.00 0.70 0.00 0.00 55.95 56.17 2e9j s SER 5 Cb 0.00 0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 2e9j s SER 5 CO 0.14 -1.20 -0.10 -0.55 1.20 0.00 0.00 173.24 172.73 2e9j s SER 6 N -2.98 1.81 -0.32 5.45 0.15 -1.26 -5.13 113.70 111.42 2e9j s SER 6 Ca 0.18 -1.00 -0.03 0.00 0.70 0.00 0.00 55.95 55.81 2e9j s SER 6 Cb -0.02 -0.02 0.19 0.00 -1.71 0.00 0.00 66.02 64.46 2e9j s SER 6 CO 0.08 -0.32 0.85 -0.83 1.20 0.00 0.00 173.24 174.22 2e9j s GLY 7 N -3.11 -1.21 -0.02 9.45 0.00 -1.26 -5.16 107.32 106.02 2e9j s GLY 7 Ca 0.16 1.32 0.02 0.00 0.00 0.00 0.00 44.72 46.22 2e9j s GLY 7 CO 0.01 3.96 -0.07 0.50 0.00 0.00 0.00 173.10 177.50 2e9j s ARG 8 N 2.53 0.69 -0.26 2.90 0.52 -1.26 -5.14 118.95 118.93 2e9j s ARG 8 Ca 0.18 -0.22 -0.27 0.00 -0.52 0.00 0.00 55.73 54.90 2e9j s ARG 8 Cb -0.03 -0.67 0.15 0.00 0.52 0.00 0.00 34.95 34.91 2e9j s ARG 8 CO -0.19 0.09 1.19 -1.12 0.02 0.00 0.00 175.30 175.28 2e9j s SER 9 N 0.16 -0.26 0.57 0.23 0.01 -1.26 -5.18 113.70 107.97 2e9j s SER 9 Ca -0.02 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.68 2e9j s SER 9 Cb -0.07 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2e9j s SER 9 CO -0.00 -0.14 0.00 -0.81 0.41 0.00 0.00 173.24 172.70 2e9j n PRO 10 N 1.50 -0.16 -3.74 12.44 -0.04 -1.26 -5.04 135.00 138.70 2e9j n PRO 10 Ca -0.10 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.07 2e9j n PRO 10 Cb 0.57 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.90 2e9j n PRO 10 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2e9j s PHE 11 N -0.57 2.13 0.24 0.54 -0.71 -1.26 -5.10 117.98 113.26 2e9j s PHE 11 Ca 0.00 -2.52 0.01 0.00 -1.04 0.00 0.00 56.93 53.38 2e9j s PHE 11 Cb 0.00 -2.00 -0.04 0.00 -1.21 0.00 0.00 43.02 39.77 2e9j s PHE 11 CO 0.00 -0.77 0.16 0.15 -1.34 0.00 0.00 175.22 173.41 2e9j s LYS 12 N 0.25 1.38 0.60 1.99 3.01 -1.26 -5.14 119.74 120.57 2e9j s LYS 12 Ca 0.18 -1.75 -0.19 0.00 -1.01 0.00 0.00 55.97 53.20 2e9j s LYS 12 Cb -0.24 0.16 -0.05 0.00 -1.01 0.00 0.00 37.83 36.70 2e9j s LYS 12 CO -0.00 -0.43 1.03 1.55 0.51 0.00 0.00 175.35 178.00 2e9j n VAL 13 N -0.40 3.80 -3.90 3.17 3.14 -1.26 -4.99 118.33 117.90 2e9j n VAL 13 Ca 0.03 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.55 2e9j n VAL 13 Cb 0.65 -1.22 -0.14 0.00 -1.06 0.00 0.00 33.84 32.07 2e9j n VAL 13 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2e9j s LYS 14 N -2.80 2.78 0.38 1.45 3.01 -1.26 -5.11 119.74 118.19 2e9j s LYS 14 Ca 0.76 -1.03 0.07 0.00 -1.01 0.00 0.00 55.97 54.76 2e9j s LYS 14 Cb -0.42 -3.13 -0.00 0.00 -1.01 0.00 0.00 37.83 33.27 2e9j s LYS 14 CO 0.47 -0.47 0.51 0.14 0.51 0.00 0.00 175.35 176.50 2e9j s VAL 15 N 1.35 3.51 0.40 3.17 -7.23 -1.26 -5.06 120.40 115.28 2e9j s VAL 15 Ca -0.01 -1.02 -0.24 0.00 -1.81 0.00 0.00 61.98 58.90 2e9j s VAL 15 Cb -0.18 -3.20 -0.12 0.00 0.56 0.00 0.00 36.38 33.45 2e9j s VAL 15 CO -0.02 -0.08 0.84 0.18 -0.31 0.00 0.00 175.10 175.71 2e9j n LEU 16 N -1.72 1.50 -4.77 1.32 4.77 -1.26 -4.93 117.00 111.91 2e9j n LEU 16 Ca 0.04 1.01 -0.35 0.00 -0.03 0.00 0.00 56.01 56.68 2e9j n LEU 16 Cb 0.59 -1.25 0.01 0.00 -2.33 0.00 0.00 43.42 40.44 2e9j n LEU 16 CO 0.41 -2.00 0.77 -2.16 -1.33 0.00 0.00 177.39 173.08 2e9j s PRO 17 N -1.78 3.24 0.29 3.23 0.04 -1.26 -4.95 135.00 133.80 2e9j s PRO 17 Ca 0.63 1.56 0.04 0.00 0.04 0.00 0.00 61.00 63.26 2e9j s PRO 17 Cb -0.60 -1.99 0.44 0.00 0.04 0.00 0.00 34.50 32.38 2e9j s PRO 17 CO 0.57 -0.93 1.72 1.15 0.04 0.00 0.00 177.00 179.55 2e9j h THR 18 N 0.94 1.27 -4.40 1.26 2.02 -1.95 -3.44 112.91 108.61 2e9j h THR 18 Ca -0.49 -1.31 -0.49 0.00 0.77 0.00 0.00 66.41 64.89 2e9j h THR 18 Cb 1.26 1.44 0.10 0.00 -1.74 0.00 0.00 68.15 69.20 2e9j h THR 18 CO 0.56 0.41 0.38 -0.72 0.37 0.00 0.00 175.52 176.52 2e9j s TYR 19 N -4.41 3.06 -0.15 3.16 1.13 -1.26 -4.63 117.35 114.26 2e9j s TYR 19 Ca -0.06 1.06 -0.07 0.00 -1.41 0.00 0.00 57.07 56.59 2e9j s TYR 19 Cb 0.14 -3.13 0.06 0.00 -1.10 0.00 0.00 41.96 37.93 2e9j s TYR 19 CO 0.78 -1.51 0.35 -0.51 -2.51 0.00 0.00 175.55 172.15 2e9j s ASP 20 N -4.17 -0.29 -0.06 -0.18 1.01 0.05 -4.93 116.67 108.09 2e9j s ASP 20 Ca 0.60 0.78 -0.17 0.00 0.71 0.00 0.00 52.55 54.46 2e9j s ASP 20 Cb -0.13 0.77 -0.12 0.00 1.01 0.00 0.00 42.92 44.45 2e9j s ASP 20 CO 0.53 -0.20 0.66 0.00 0.21 0.00 0.00 175.17 176.37 2e9j h ALA 21 N 7.49 -0.24 -0.21 5.23 0.00 -1.85 -3.21 119.26 126.46 2e9j h ALA 21 Ca -0.31 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.47 2e9j h ALA 21 Cb 1.15 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2e9j h ALA 21 CO 0.26 -0.27 0.49 1.03 0.00 0.00 0.00 179.25 180.75 2e9j h SER 22 N -0.96 0.00 -0.09 0.00 0.87 -1.91 0.50 113.55 111.97 2e9j h SER 22 Ca -0.02 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2e9j h SER 22 Cb 0.45 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2e9j h SER 22 CO 0.04 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.63 2e9j n LYS 23 N -3.18 1.62 -4.64 2.24 4.76 -1.21 -4.77 118.16 112.99 2e9j n LYS 23 Ca 0.03 -0.50 -0.33 0.00 -2.87 0.00 0.00 58.31 54.64 2e9j n LYS 23 Cb 0.59 -1.62 -0.15 0.00 -1.84 0.00 0.00 35.03 32.01 2e9j n LYS 23 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2e9j s VAL 24 N -1.28 2.72 -0.04 -0.18 1.01 0.18 -3.85 120.40 118.95 2e9j s VAL 24 Ca 0.09 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.32 2e9j s VAL 24 Cb 0.07 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.32 2e9j s VAL 24 CO 0.03 0.52 -0.07 0.42 0.00 0.00 0.00 175.10 175.99 2e9j s THR 25 N 0.67 0.72 0.03 3.92 -4.23 -1.21 -4.99 115.64 110.55 2e9j s THR 25 Ca -0.08 -0.27 0.05 0.00 -1.18 0.00 0.00 61.69 60.22 2e9j s THR 25 Cb -0.16 -0.68 -0.03 0.00 1.34 0.00 0.00 72.50 72.97 2e9j s THR 25 CO 0.02 0.25 -0.12 0.00 -0.54 0.00 0.00 174.62 174.23 2e9j s ALA 26 N 0.57 2.81 0.01 3.99 0.00 -1.26 -1.88 121.76 126.00 2e9j s ALA 26 Ca -0.09 -1.12 -0.11 0.00 0.00 0.00 0.00 51.96 50.64 2e9j s ALA 26 Cb -0.12 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.09 2e9j s ALA 26 CO 0.01 0.60 0.23 -1.12 0.00 0.00 0.00 175.76 175.48 2e9j s SER 27 N -1.51 -0.06 0.00 0.00 0.01 -0.79 -5.01 113.70 106.35 2e9j s SER 27 Ca 0.16 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2e9j s SER 27 Cb -0.11 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.41 2e9j s SER 27 CO 0.07 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2e9j n GLY 28 N 1.04 0.59 0.21 3.44 0.00 -1.26 -2.31 105.19 106.90 2e9j n GLY 28 Ca -0.21 -1.84 -0.06 0.00 0.00 0.00 0.00 46.02 43.92 2e9j n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9j h PRO 29 N 6.19 0.44 0.00 1.61 0.13 -1.99 -2.87 132.00 135.51 2e9j h PRO 29 Ca 0.00 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2e9j h PRO 29 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2e9j h PRO 29 CO 0.00 0.79 0.00 0.78 -0.23 0.00 0.00 178.00 179.34 2e9j h GLY 30 N 1.15 0.00 -0.53 1.56 0.00 -1.89 -1.66 103.07 101.70 2e9j h GLY 30 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 2e9j h GLY 30 CO 0.08 0.00 -0.25 1.04 0.00 0.00 0.00 176.54 177.40 2e9j n LEU 31 N -2.99 2.39 -4.61 3.11 4.77 -1.10 -4.97 117.00 113.60 2e9j n LEU 31 Ca -0.02 -3.34 -0.43 0.00 -0.03 0.00 0.00 56.01 52.19 2e9j n LEU 31 Cb 0.11 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 2e9j n LEU 31 CO 0.20 0.99 1.37 -0.55 -1.33 0.00 0.00 177.39 178.07 2e9j s SER 32 N -2.95 6.20 0.54 -1.43 0.15 -0.62 -4.85 113.70 110.73 2e9j s SER 32 Ca 0.34 1.22 0.22 0.00 0.70 0.00 0.00 55.95 58.43 2e9j s SER 32 Cb 0.31 -2.53 1.39 0.00 -1.71 0.00 0.00 66.02 63.48 2e9j s SER 32 CO -0.02 -1.48 2.08 0.77 1.20 0.00 0.00 173.24 175.80 2e9j h SER 33 N 11.45 0.00 -0.03 5.45 4.64 -1.90 -0.08 113.55 133.08 2e9j h SER 33 Ca -0.31 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.96 2e9j h SER 33 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 2e9j h SER 33 CO 1.04 0.00 -0.11 1.88 -0.87 0.00 0.00 176.83 178.77 2e9j h TYR 34 N 0.00 0.32 0.00 4.77 -1.99 -1.96 -3.45 116.97 114.65 2e9j h TYR 34 Ca 0.12 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.81 2e9j h TYR 34 Cb 0.50 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.14 2e9j h TYR 34 CO 0.00 0.41 0.00 0.41 -0.00 0.00 0.00 178.16 178.98 2e9j n GLY 35 N -0.86 4.34 3.33 3.88 0.00 -0.04 -4.97 105.19 110.87 2e9j n GLY 35 Ca -0.00 -1.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.24 2e9j n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2e9j s VAL 36 N -2.09 2.03 -0.09 1.61 -7.23 -0.60 -4.73 120.40 109.30 2e9j s VAL 36 Ca 0.00 -1.48 -0.30 0.00 -1.81 0.00 0.00 61.98 58.39 2e9j s VAL 36 Cb 0.00 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 2e9j s VAL 36 CO 0.00 0.20 1.52 -2.16 -0.31 0.00 0.00 175.10 174.35 2e9j s PRO 37 N -1.55 4.20 1.18 4.82 0.04 -1.26 -0.18 135.00 142.25 2e9j s PRO 37 Ca 0.11 2.01 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 2e9j s PRO 37 Cb -0.10 -3.90 0.29 0.00 0.04 0.00 0.00 34.50 30.83 2e9j s PRO 37 CO 0.03 -0.79 1.03 0.00 0.04 0.00 0.00 177.00 177.31 2e9j s ALA 38 N 3.79 -0.31 -1.19 8.56 0.00 -1.13 -3.18 121.76 128.29 2e9j s ALA 38 Ca 0.67 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 2e9j s ALA 38 Cb -0.30 -3.16 0.15 0.00 0.00 0.00 0.00 23.12 19.82 2e9j s ALA 38 CO 0.25 -3.82 0.38 0.43 0.00 0.00 0.00 175.76 172.99 2e9j n SER 39 N -4.92 -1.33 -3.76 0.00 7.64 -1.12 -4.86 113.62 105.27 2e9j n SER 39 Ca 0.05 -0.70 -0.20 0.00 1.01 0.00 0.00 58.87 59.03 2e9j n SER 39 Cb 0.56 -1.19 -0.17 0.00 -1.01 0.00 0.00 64.21 62.40 2e9j n SER 39 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2e9j s LEU 40 N -5.61 0.68 -0.67 -3.43 1.98 -1.19 -5.03 118.68 105.40 2e9j s LEU 40 Ca 0.53 -0.01 -0.26 0.00 -2.89 0.00 0.00 54.13 51.49 2e9j s LEU 40 Cb -0.31 -0.27 -0.03 0.00 0.66 0.00 0.00 46.19 46.25 2e9j s LEU 40 CO 0.65 -0.17 1.88 -2.16 -1.89 0.00 0.00 176.35 174.65 2e9j s PRO 41 N 1.66 2.61 0.01 0.98 0.04 -1.26 -4.44 135.00 134.60 2e9j s PRO 41 Ca -0.01 0.43 0.03 0.00 0.04 0.00 0.00 61.00 61.49 2e9j s PRO 41 Cb -0.13 -4.52 -0.04 0.00 0.04 0.00 0.00 34.50 29.85 2e9j s PRO 41 CO -0.03 -2.87 -0.03 0.54 0.04 0.00 0.00 177.00 174.65 2e9j s VAL 42 N 9.29 3.91 -0.00 -0.36 0.11 -1.12 -4.91 120.40 127.31 2e9j s VAL 42 Ca 0.68 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 2e9j s VAL 42 Cb -0.11 -2.73 0.00 0.00 -1.53 0.00 0.00 36.38 32.00 2e9j s VAL 42 CO 0.16 0.36 -0.01 1.51 -3.33 0.00 0.00 175.10 173.79 2e9j s ASP 43 N -1.56 0.16 0.37 3.54 -4.77 -1.26 -1.36 116.67 111.80 2e9j s ASP 43 Ca 0.19 -0.02 0.05 0.00 -3.30 0.00 0.00 52.55 49.47 2e9j s ASP 43 Cb -0.11 -0.03 0.05 0.00 -1.09 0.00 0.00 42.92 41.74 2e9j s ASP 43 CO 0.10 0.01 0.40 2.22 0.70 0.00 0.00 175.17 178.60 2e9j n PHE 44 N 3.13 -1.74 -4.27 2.11 -1.74 -1.11 -4.46 117.46 109.38 2e9j n PHE 44 Ca -0.13 -1.47 -0.19 0.00 -0.56 0.00 0.00 57.45 55.09 2e9j n PHE 44 Cb 0.59 -0.33 -0.16 0.00 1.52 0.00 0.00 39.48 41.10 2e9j n PHE 44 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2e9j s ALA 45 N -2.49 0.72 -0.38 1.98 0.00 -0.98 -3.15 121.76 117.47 2e9j s ALA 45 Ca 0.31 -0.20 -0.07 0.00 0.00 0.00 0.00 51.96 52.00 2e9j s ALA 45 Cb -0.02 -0.33 0.06 0.00 0.00 0.00 0.00 23.12 22.83 2e9j s ALA 45 CO 0.20 0.08 0.19 0.42 0.00 0.00 0.00 175.76 176.64 2e9j s ILE 46 N 0.44 3.97 -0.28 0.00 1.01 0.12 -1.88 121.20 124.57 2e9j s ILE 46 Ca -0.06 -1.33 -0.11 0.00 0.00 0.00 0.00 60.65 59.15 2e9j s ILE 46 Cb -0.10 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 2e9j s ILE 46 CO 0.00 -0.38 0.19 1.51 0.00 0.00 0.00 174.94 176.27 2e9j s ASP 47 N 1.77 6.03 -0.16 3.58 -4.77 -0.79 -2.38 116.67 119.95 2e9j s ASP 47 Ca 0.01 -0.00 -0.01 0.00 -3.30 0.00 0.00 52.55 49.26 2e9j s ASP 47 Cb -0.21 -2.12 -0.01 0.00 -1.09 0.00 0.00 42.92 39.49 2e9j s ASP 47 CO 0.02 -0.05 -0.13 0.00 0.70 0.00 0.00 175.17 175.71 2e9j s ALA 48 N 1.75 2.58 -0.22 2.11 0.00 -1.26 -3.30 121.76 123.42 2e9j s ALA 48 Ca 0.07 -1.02 -0.17 0.00 0.00 0.00 0.00 51.96 50.84 2e9j s ALA 48 Cb -0.16 -1.30 -0.13 0.00 0.00 0.00 0.00 23.12 21.53 2e9j s ALA 48 CO 0.11 -0.03 -0.13 0.54 0.00 0.00 0.00 175.76 176.26 2e9j n ARG 49 N 4.04 0.56 -0.60 0.00 5.12 -1.25 -4.60 116.66 119.93 2e9j n ARG 49 Ca -0.19 0.40 0.04 0.00 -1.93 0.00 0.00 57.85 56.18 2e9j n ARG 49 Cb 0.52 -1.60 0.20 0.00 -1.16 0.00 0.00 32.46 30.42 2e9j n ARG 49 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2e9j n ASP 50 N -4.39 2.00 0.10 0.55 8.00 -1.26 -4.61 116.55 116.94 2e9j n ASP 50 Ca -0.36 -3.78 0.10 0.00 0.71 0.00 0.00 54.79 51.46 2e9j n ASP 50 Cb 0.69 -0.55 -0.01 0.00 -0.02 0.00 0.00 41.12 41.24 2e9j n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9j h ALA 51 N 0.92 0.53 -0.84 2.24 0.00 -1.73 -3.33 119.26 117.05 2e9j h ALA 51 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2e9j h ALA 51 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2e9j h ALA 51 CO 0.10 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.87 2e9j n GLY 52 N 1.20 2.77 3.31 0.00 0.00 -1.26 -0.77 105.19 110.43 2e9j n GLY 52 Ca -0.01 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 2e9j n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e9j s GLU 53 N 0.00 1.96 -0.21 1.61 2.56 -1.26 -4.95 118.70 118.41 2e9j s GLU 53 Ca 0.00 -0.95 -0.28 0.00 0.00 0.00 0.00 54.97 53.73 2e9j s GLU 53 Cb 0.00 -1.95 0.14 0.00 2.00 0.00 0.00 34.13 34.31 2e9j s GLU 53 CO 0.00 0.53 1.07 0.20 -0.56 0.00 0.00 175.26 176.50 2e9j s GLY 54 N -0.77 -0.16 -0.49 -1.50 0.00 -1.26 -4.53 107.32 98.61 2e9j s GLY 54 Ca 0.10 2.37 -0.32 0.00 0.00 0.00 0.00 44.72 46.87 2e9j s GLY 54 CO -0.00 1.30 2.33 -0.10 0.00 0.00 0.00 173.10 176.62 2e9j n LEU 55 N 1.13 1.90 -4.77 0.66 0.00 -1.26 -4.35 117.00 110.31 2e9j n LEU 55 Ca -0.10 0.15 -0.39 0.00 0.00 0.00 0.00 56.01 55.67 2e9j n LEU 55 Cb 0.57 -1.29 -0.06 0.00 0.00 0.00 0.00 43.42 42.65 2e9j n LEU 55 CO 0.11 -0.93 0.39 -0.22 0.00 0.00 0.00 177.39 176.74 2e9j s LEU 56 N 8.79 4.49 -0.01 -1.96 2.96 -1.26 -2.34 118.68 129.35 2e9j s LEU 56 Ca 1.11 1.38 0.03 0.00 -0.22 0.00 0.00 54.13 56.44 2e9j s LEU 56 Cb -0.75 -3.10 -0.01 0.00 0.50 0.00 0.00 46.19 42.84 2e9j s LEU 56 CO 0.43 0.13 -0.11 0.00 -1.32 0.00 0.00 176.35 175.48 2e9j s ALA 57 N -0.53 0.96 -0.33 5.97 0.00 -1.13 -5.05 121.76 121.65 2e9j s ALA 57 Ca 0.34 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.80 2e9j s ALA 57 Cb -0.20 -0.28 0.05 0.00 0.00 0.00 0.00 23.12 22.70 2e9j s ALA 57 CO 0.21 0.21 0.07 0.08 0.00 0.00 0.00 175.76 176.33 2e9j s VAL 58 N -0.13 3.34 -0.26 0.00 1.01 -1.26 -3.49 120.40 119.60 2e9j s VAL 58 Ca 0.02 -1.37 -0.05 0.00 0.00 0.00 0.00 61.98 60.58 2e9j s VAL 58 Cb -0.06 -2.96 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 2e9j s VAL 58 CO -0.00 -0.21 0.02 -1.58 0.00 0.00 0.00 175.10 173.33 2e9j s GLN 59 N 1.30 3.25 -0.08 2.72 -0.44 -1.25 -5.04 119.66 120.12 2e9j s GLN 59 Ca -0.02 -0.73 0.03 0.00 -2.50 0.00 0.00 55.36 52.14 2e9j s GLN 59 Cb -0.20 -3.19 0.01 0.00 -1.64 0.00 0.00 33.01 27.98 2e9j s GLN 59 CO 0.00 -0.31 -0.18 0.42 0.50 0.00 0.00 175.29 175.72 2e9j s ILE 60 N 1.49 1.58 0.06 -2.34 1.01 -1.26 -1.89 121.20 119.85 2e9j s ILE 60 Ca 0.04 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2e9j s ILE 60 Cb -0.16 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 2e9j s ILE 60 CO -0.00 0.45 -0.07 0.42 0.00 0.00 0.00 174.94 175.74 2e9j s THR 61 N 0.49 0.57 0.32 2.92 -4.23 -0.68 -3.14 115.64 111.89 2e9j s THR 61 Ca -0.16 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 58.97 2e9j s THR 61 Cb -0.17 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.69 2e9j s THR 61 CO 0.06 -0.57 0.13 -0.90 -0.54 0.00 0.00 174.62 172.80 2e9j n ASP 62 N 0.91 2.43 0.07 3.99 5.68 -1.23 -1.78 116.55 126.61 2e9j n ASP 62 Ca -0.19 -2.24 0.21 0.00 -0.50 0.00 0.00 54.79 52.07 2e9j n ASP 62 Cb 0.57 0.09 0.73 0.00 -1.14 0.00 0.00 41.12 41.37 2e9j n ASP 62 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 2e9j h GLN 63 N 0.00 0.00 0.00 0.11 -0.00 -1.92 0.70 115.11 114.00 2e9j h GLN 63 Ca -0.23 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.34 2e9j h GLN 63 Cb 0.77 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.24 2e9j h GLN 63 CO 0.37 0.00 -0.57 1.49 -0.00 0.00 0.00 178.83 180.12 2e9j h GLU 64 N 0.00 0.00 0.00 0.06 4.57 -1.94 -3.48 114.58 113.80 2e9j h GLU 64 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 2e9j h GLU 64 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2e9j h GLU 64 CO -0.00 0.31 0.00 0.41 -1.18 0.00 0.00 179.01 178.55 2e9j n GLY 65 N 1.22 0.67 3.89 1.92 0.00 0.24 -5.05 105.19 108.08 2e9j n GLY 65 Ca 0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2e9j n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e9j s LYS 66 N -0.35 3.69 0.15 1.61 -2.85 -1.26 -4.77 119.74 115.95 2e9j s LYS 66 Ca 0.00 0.09 -0.31 0.00 -1.00 0.00 0.00 55.97 54.75 2e9j s LYS 66 Cb 0.00 -2.66 -0.08 0.00 -2.06 0.00 0.00 37.83 33.03 2e9j s LYS 66 CO 0.00 0.26 1.34 -1.25 0.10 0.00 0.00 175.35 175.80 2e9j s PRO 67 N -3.26 4.36 0.08 1.78 0.04 -1.26 -3.56 135.00 133.18 2e9j s PRO 67 Ca 0.45 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.55 2e9j s PRO 67 Cb -0.11 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 2e9j s PRO 67 CO 0.27 -0.34 0.11 0.15 0.04 0.00 0.00 177.00 177.23 2e9j s LYS 68 N 0.53 3.01 -0.09 4.56 -0.14 -1.19 -5.05 119.74 121.38 2e9j s LYS 68 Ca 0.60 -0.63 -0.30 0.00 -1.36 0.00 0.00 55.97 54.29 2e9j s LYS 68 Cb -0.36 -2.80 -0.04 0.00 -1.68 0.00 0.00 37.83 32.95 2e9j s LYS 68 CO 0.34 0.58 1.43 0.50 -0.76 0.00 0.00 175.35 177.44 2e9j s ARG 69 N -2.42 4.23 0.03 1.68 3.52 -1.26 -4.85 118.95 119.88 2e9j s ARG 69 Ca 0.31 1.91 0.03 0.00 -0.13 0.00 0.00 55.73 57.85 2e9j s ARG 69 Cb -0.12 -3.81 -0.02 0.00 -1.56 0.00 0.00 34.95 29.44 2e9j s ARG 69 CO 0.23 -0.73 -0.09 0.00 -0.81 0.00 0.00 175.30 173.91 2e9j s ALA 70 N 3.47 0.71 -0.06 6.12 0.00 -1.26 -4.31 121.76 126.42 2e9j s ALA 70 Ca 0.63 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.83 2e9j s ALA 70 Cb -0.28 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2e9j s ALA 70 CO 0.22 0.07 0.21 0.42 0.00 0.00 0.00 175.76 176.69 2e9j s ILE 71 N -0.99 5.38 -0.25 0.00 1.01 0.68 -4.97 121.20 122.05 2e9j s ILE 71 Ca -0.04 0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.80 2e9j s ILE 71 Cb -0.08 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 2e9j s ILE 71 CO 0.01 0.53 0.07 0.54 0.00 0.00 0.00 174.94 176.09 2e9j s VAL 72 N -1.12 4.32 -0.25 2.92 0.11 -1.26 -1.49 120.40 123.63 2e9j s VAL 72 Ca 0.20 -0.17 -0.11 0.00 -2.93 0.00 0.00 61.98 58.97 2e9j s VAL 72 Cb -0.13 -3.03 -0.05 0.00 -1.53 0.00 0.00 36.38 31.64 2e9j s VAL 72 CO 0.09 0.33 0.17 -2.28 -3.33 0.00 0.00 175.10 170.09 2e9j s HIS 73 N 1.62 3.29 -0.29 1.54 2.46 0.15 -5.00 115.29 119.05 2e9j s HIS 73 Ca 0.06 0.20 -0.02 0.00 0.47 0.00 0.00 55.06 55.77 2e9j s HIS 73 Cb -0.15 -2.31 0.04 0.00 -0.13 0.00 0.00 32.58 30.03 2e9j s HIS 73 CO 0.04 -0.01 -0.02 0.16 -2.47 0.00 0.00 174.74 172.44 2e9j s ASP 74 N 1.29 4.74 -0.05 9.88 -4.77 -1.26 -2.44 116.67 124.06 2e9j s ASP 74 Ca 0.08 -1.16 0.15 0.00 -3.30 0.00 0.00 52.55 48.32 2e9j s ASP 74 Cb -0.14 -1.70 -0.21 0.00 -1.09 0.00 0.00 42.92 39.77 2e9j s ASP 74 CO 0.07 -0.22 0.58 0.59 0.70 0.00 0.00 175.17 176.89 2e9j n ASN 75 N 4.64 0.67 -2.73 2.11 3.02 -1.26 -4.97 115.26 116.74 2e9j n ASN 75 Ca -0.14 0.31 -0.18 0.00 -0.03 0.00 0.00 54.58 54.55 2e9j n ASN 75 Cb 0.44 0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.88 2e9j n ASN 75 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2e9j n LYS 76 N -2.92 -2.82 0.00 3.52 4.76 -1.26 -4.78 118.16 114.65 2e9j n LYS 76 Ca -0.18 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 55.94 2e9j n LYS 76 Cb 1.00 -5.35 0.00 0.00 -1.84 0.00 0.00 35.03 28.84 2e9j n LYS 76 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2e9j n ASP 77 N -2.05 0.16 0.00 4.39 2.03 -1.26 -4.98 116.55 114.83 2e9j n ASP 77 Ca -0.13 -0.41 0.00 0.00 0.52 0.00 0.00 54.79 54.77 2e9j n ASP 77 Cb 0.61 0.85 0.00 0.00 -0.72 0.00 0.00 41.12 41.86 2e9j n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2e9j n GLY 78 N 0.90 1.00 3.62 0.27 0.00 -1.26 -5.15 105.19 104.57 2e9j n GLY 78 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2e9j n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e9j s THR 79 N -1.00 0.00 -0.19 2.61 -4.23 -1.26 -4.30 115.64 107.27 2e9j s THR 79 Ca 0.00 -1.36 -0.08 0.00 -1.18 0.00 0.00 61.69 59.06 2e9j s THR 79 Cb 0.00 -2.69 0.07 0.00 1.34 0.00 0.00 72.50 71.22 2e9j s THR 79 CO 0.00 0.00 0.43 -0.31 -0.54 0.00 0.00 174.62 174.20 2e9j s TYR 80 N -2.85 -0.71 0.08 3.99 2.02 -1.00 -4.29 117.35 114.60 2e9j s TYR 80 Ca 0.24 1.43 0.07 0.00 -0.37 0.00 0.00 57.07 58.44 2e9j s TYR 80 Cb -0.02 0.30 -0.04 0.00 -0.40 0.00 0.00 41.96 41.80 2e9j s TYR 80 CO 0.16 -0.42 -0.11 0.00 -1.57 0.00 0.00 175.55 173.62 2e9j s ALA 81 N 1.98 2.91 -0.07 3.71 0.00 -1.02 0.11 121.76 129.38 2e9j s ALA 81 Ca -0.06 -1.21 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 2e9j s ALA 81 Cb -0.10 -0.90 0.04 0.00 0.00 0.00 0.00 23.12 22.16 2e9j s ALA 81 CO -0.13 0.63 0.13 0.08 0.00 0.00 0.00 175.76 176.47 2e9j s VAL 82 N -1.15 -0.21 -0.12 0.00 1.01 -1.19 0.29 120.40 119.04 2e9j s VAL 82 Ca 0.20 0.35 -0.07 0.00 0.00 0.00 0.00 61.98 62.47 2e9j s VAL 82 Cb -0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2e9j s VAL 82 CO 0.12 0.15 0.13 -0.89 0.00 0.00 0.00 175.10 174.61 2e9j s THR 83 N 2.15 5.44 -0.12 3.92 2.01 -0.56 -2.77 115.64 125.71 2e9j s THR 83 Ca 0.02 0.18 -0.10 0.00 0.31 0.00 0.00 61.69 62.11 2e9j s THR 83 Cb -0.12 -3.37 0.04 0.00 0.01 0.00 0.00 72.50 69.06 2e9j s THR 83 CO -0.05 0.62 0.32 -0.72 -0.69 0.00 0.00 174.62 174.09 2e9j s TYR 84 N -1.02 -0.38 -0.41 4.92 -0.85 -0.46 -0.23 117.35 118.92 2e9j s TYR 84 Ca 0.15 0.90 -0.07 0.00 -0.52 0.00 0.00 57.07 57.52 2e9j s TYR 84 Cb -0.12 0.13 0.08 0.00 0.38 0.00 0.00 41.96 42.43 2e9j s TYR 84 CO 0.04 -0.21 0.22 0.42 -1.52 0.00 0.00 175.55 174.51 2e9j s ILE 85 N 0.56 3.93 -0.96 -3.49 1.01 -1.26 -2.81 121.20 118.19 2e9j s ILE 85 Ca -0.03 -1.52 -0.24 0.00 0.00 0.00 0.00 60.65 58.86 2e9j s ILE 85 Cb -0.05 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 2e9j s ILE 85 CO -0.03 -0.50 1.94 -2.16 0.00 0.00 0.00 174.94 174.19 2e9j s PRO 86 N 1.36 2.55 0.02 2.79 0.04 -1.26 -4.81 135.00 135.67 2e9j s PRO 86 Ca 0.03 -0.46 -0.27 0.00 0.04 0.00 0.00 61.00 60.34 2e9j s PRO 86 Cb -0.23 -5.10 -0.16 0.00 0.04 0.00 0.00 34.50 29.06 2e9j s PRO 86 CO 0.01 -3.49 1.21 -0.44 0.04 0.00 0.00 177.00 174.32 2e9j h ASP 87 N 10.98 -0.66 -4.08 6.66 5.19 -1.97 -2.96 116.42 129.59 2e9j h ASP 87 Ca 0.12 -0.04 -0.45 0.00 -0.62 0.00 0.00 57.03 56.04 2e9j h ASP 87 Cb 0.99 0.17 0.14 0.00 0.18 0.00 0.00 39.33 40.82 2e9j h ASP 87 CO 1.21 -0.30 0.27 -0.54 -3.12 0.00 0.00 179.24 176.77 2e9j s LYS 88 N -4.83 0.69 -0.05 3.56 1.02 -1.26 -4.70 119.74 114.17 2e9j s LYS 88 Ca -0.14 0.21 0.05 0.00 0.02 0.00 0.00 55.97 56.10 2e9j s LYS 88 Cb 0.02 -1.79 -0.00 0.00 -0.52 0.00 0.00 37.83 35.53 2e9j s LYS 88 CO 0.48 -2.48 -0.20 0.95 -0.92 0.00 0.00 175.35 173.18 2e9j s THR 89 N -3.26 1.68 0.00 2.17 -4.23 -1.26 -4.92 115.64 105.82 2e9j s THR 89 Ca 0.66 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 2e9j s THR 89 Cb -0.14 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.26 2e9j s THR 89 CO 0.54 0.48 0.00 0.61 -0.54 0.00 0.00 174.62 175.71 2e9j n GLY 90 N 3.16 -0.10 3.47 3.99 0.00 -1.26 -4.98 105.19 109.46 2e9j n GLY 90 Ca -0.18 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 2e9j n GLY 90 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2e9j s ARG 91 N 0.00 2.41 -0.10 1.61 1.70 -1.26 -3.32 118.95 119.99 2e9j s ARG 91 Ca 0.00 -0.76 0.02 0.00 -0.47 0.00 0.00 55.73 54.53 2e9j s ARG 91 Cb 0.00 -2.33 0.01 0.00 -0.57 0.00 0.00 34.95 32.06 2e9j s ARG 91 CO 0.00 0.61 -0.16 0.71 -1.08 0.00 0.00 175.30 175.37 2e9j s TYR 92 N -0.77 1.97 -0.18 5.89 2.02 -0.72 -3.02 117.35 122.54 2e9j s TYR 92 Ca 0.12 -0.86 -0.03 0.00 -0.37 0.00 0.00 57.07 55.93 2e9j s TYR 92 Cb -0.11 -1.40 -0.02 0.00 -0.40 0.00 0.00 41.96 40.04 2e9j s TYR 92 CO 0.02 -0.42 -0.05 1.41 -1.57 0.00 0.00 175.55 174.94 2e9j s MET 93 N 0.77 3.53 -0.13 -0.62 -2.45 -0.74 -2.70 119.30 116.97 2e9j s MET 93 Ca -0.11 -0.58 0.02 0.00 -1.25 0.00 0.00 55.69 53.77 2e9j s MET 93 Cb -0.16 -2.92 0.01 0.00 1.25 0.00 0.00 34.83 33.02 2e9j s MET 93 CO 0.02 0.08 -0.19 0.42 1.05 0.00 0.00 175.02 176.40 2e9j s ILE 94 N 0.77 1.80 -0.53 10.11 1.01 -1.16 -1.69 121.20 131.51 2e9j s ILE 94 Ca -0.02 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 2e9j s ILE 94 Cb -0.15 -1.62 0.14 0.00 0.01 0.00 0.00 42.46 40.85 2e9j s ILE 94 CO 0.02 0.50 0.34 -0.83 0.00 0.00 0.00 174.94 174.96 2e9j s GLY 95 N 0.93 2.29 0.01 6.18 0.00 -0.79 -0.91 107.32 115.02 2e9j s GLY 95 Ca -0.06 -2.96 -0.29 0.00 0.00 0.00 0.00 44.72 41.40 2e9j s GLY 95 CO -0.02 1.07 0.95 0.14 0.00 0.00 0.00 173.10 175.23 2e9j s VAL 96 N 0.42 4.84 0.07 1.40 1.01 -1.26 -3.79 120.40 123.09 2e9j s VAL 96 Ca 0.13 2.00 0.06 0.00 0.00 0.00 0.00 61.98 64.18 2e9j s VAL 96 Cb -0.21 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 2e9j s VAL 96 CO -0.04 0.19 -0.16 0.42 0.00 0.00 0.00 175.10 175.52 2e9j s THR 97 N 0.85 1.27 -0.08 3.92 -4.23 -1.23 -3.10 115.64 113.04 2e9j s THR 97 Ca 0.50 -1.32 -0.03 0.00 -1.18 0.00 0.00 61.69 59.66 2e9j s THR 97 Cb -0.21 -1.19 0.04 0.00 1.34 0.00 0.00 72.50 72.48 2e9j s THR 97 CO 0.27 -0.15 0.07 -0.47 -0.54 0.00 0.00 174.62 173.81 2e9j s TYR 98 N -1.18 0.12 -1.13 3.99 5.04 0.42 -2.84 117.35 121.76 2e9j s TYR 98 Ca 0.01 0.07 -0.04 0.00 -2.44 0.00 0.00 57.07 54.67 2e9j s TYR 98 Cb -0.10 -0.55 0.00 0.00 0.35 0.00 0.00 41.96 41.66 2e9j s TYR 98 CO 0.03 -0.29 0.97 0.41 -1.34 0.00 0.00 175.55 175.33 2e9j n GLY 99 N 5.29 -0.32 2.36 8.97 0.00 -0.99 -2.24 105.19 118.25 2e9j n GLY 99 Ca -0.04 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 2e9j n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e9j n GLY 100 N -1.50 0.36 2.75 -0.02 0.00 -1.26 -4.94 105.19 100.57 2e9j n GLY 100 Ca -0.11 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 2e9j n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2e9j s ASP 101 N -2.47 1.05 -0.01 1.61 1.11 -0.95 -5.13 116.67 111.88 2e9j s ASP 101 Ca 0.00 0.14 -0.28 0.00 0.18 0.00 0.00 52.55 52.59 2e9j s ASP 101 Cb 0.00 0.07 -0.03 0.00 1.07 0.00 0.00 42.92 44.03 2e9j s ASP 101 CO 0.00 -0.26 0.90 1.51 1.18 0.00 0.00 175.17 178.50 2e9j s ASP 102 N 2.23 7.27 0.74 0.27 1.47 -1.26 -0.44 116.67 126.95 2e9j s ASP 102 Ca 0.04 1.53 -0.15 0.00 1.18 0.00 0.00 52.55 55.15 2e9j s ASP 102 Cb -0.12 -2.53 0.04 0.00 -0.34 0.00 0.00 42.92 39.97 2e9j s ASP 102 CO -0.05 -0.20 1.22 2.30 0.68 0.00 0.00 175.17 179.11 2e9j n ILE 103 N 3.76 3.28 0.98 2.11 -5.35 -1.18 -4.85 119.36 118.10 2e9j n ILE 103 Ca 0.04 -0.34 0.05 0.00 -0.27 0.00 0.00 62.75 62.23 2e9j n ILE 103 Cb 0.51 -1.31 0.32 0.00 -1.74 0.00 0.00 39.64 37.43 2e9j n ILE 103 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2e9j n PRO 104 N -2.59 0.49 -0.03 6.28 -0.04 -1.26 -2.15 135.00 135.70 2e9j n PRO 104 Ca 0.14 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.61 2e9j n PRO 104 Cb 0.49 -1.35 -0.14 0.00 -0.04 0.00 0.00 33.50 32.47 2e9j n PRO 104 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2e9j n LEU 105 N -0.85 0.26 -4.85 1.53 7.99 -1.26 -4.95 117.00 114.86 2e9j n LEU 105 Ca 0.08 0.11 -0.32 0.00 -0.01 0.00 0.00 56.01 55.88 2e9j n LEU 105 Cb 0.04 0.19 -0.04 0.00 -0.11 0.00 0.00 43.42 43.50 2e9j n LEU 105 CO 0.06 0.21 0.56 -0.94 -1.51 0.00 0.00 177.39 175.77 2e9j s SER 106 N -5.22 6.65 1.18 -1.43 1.04 -0.91 -4.37 113.70 110.63 2e9j s SER 106 Ca -0.07 1.40 -0.15 0.00 0.48 0.00 0.00 55.95 57.61 2e9j s SER 106 Cb 0.10 -2.43 0.22 0.00 0.10 0.00 0.00 66.02 64.00 2e9j s SER 106 CO 0.85 -0.44 0.77 -0.81 0.98 0.00 0.00 173.24 174.60 2e9j n PRO 107 N -1.19 -2.53 -5.22 4.02 -0.04 -1.26 -4.93 135.00 123.84 2e9j n PRO 107 Ca 0.05 -1.24 -0.32 0.00 -0.04 0.00 0.00 63.50 61.95 2e9j n PRO 107 Cb 0.54 -1.16 -0.17 0.00 -0.04 0.00 0.00 33.50 32.67 2e9j n PRO 107 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2e9j s TYR 108 N -2.40 2.52 -0.26 0.54 1.51 -0.09 -4.92 117.35 114.25 2e9j s TYR 108 Ca 0.50 -0.92 -0.15 0.00 -1.01 0.00 0.00 57.07 55.50 2e9j s TYR 108 Cb -0.05 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 2e9j s TYR 108 CO 0.39 -0.34 0.36 1.03 -1.11 0.00 0.00 175.55 175.87 2e9j s ARG 109 N 0.15 4.04 0.03 -0.62 1.81 -1.26 -3.00 118.95 120.10 2e9j s ARG 109 Ca -0.13 0.03 0.00 0.00 -1.72 0.00 0.00 55.73 53.91 2e9j s ARG 109 Cb -0.16 -3.63 -0.02 0.00 -0.45 0.00 0.00 34.95 30.68 2e9j s ARG 109 CO 0.07 -0.22 -0.03 0.42 -0.68 0.00 0.00 175.30 174.86 2e9j s ILE 110 N 1.89 0.16 -0.05 1.52 1.01 -1.10 -4.81 121.20 119.82 2e9j s ILE 110 Ca 0.15 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 59.74 2e9j s ILE 110 Cb -0.16 -0.50 0.01 0.00 0.01 0.00 0.00 42.46 41.83 2e9j s ILE 110 CO 0.09 -0.58 -0.11 -0.13 0.00 0.00 0.00 174.94 174.22 2e9j s ARG 111 N -1.89 1.44 -0.25 2.79 0.52 -1.26 -1.75 118.95 118.54 2e9j s ARG 111 Ca -0.12 -0.35 -0.21 0.00 -0.52 0.00 0.00 55.73 54.53 2e9j s ARG 111 Cb -0.07 -1.23 -0.02 0.00 0.52 0.00 0.00 34.95 34.15 2e9j s ARG 111 CO -0.02 0.03 0.67 0.00 0.02 0.00 0.00 175.30 176.00 2e9j s ALA 112 N 0.60 3.62 -0.51 2.13 0.00 -1.21 -1.55 121.76 124.83 2e9j s ALA 112 Ca -0.12 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 2e9j s ALA 112 Cb -0.14 -3.09 0.11 0.00 0.00 0.00 0.00 23.12 20.00 2e9j s ALA 112 CO 0.03 -0.84 0.46 0.95 0.00 0.00 0.00 175.76 176.36 2e9j s THR 113 N 2.58 5.16 -0.22 0.00 -4.23 0.75 -4.45 115.64 115.22 2e9j s THR 113 Ca 0.28 -1.38 -0.24 0.00 -1.18 0.00 0.00 61.69 59.17 2e9j s THR 113 Cb -0.15 -4.24 -0.01 0.00 1.34 0.00 0.00 72.50 69.44 2e9j s THR 113 CO 0.08 -0.77 0.81 0.00 -0.54 0.00 0.00 174.62 174.20 2e9j s GLN 114 N 1.60 4.21 -0.31 3.99 -2.07 -1.26 -2.85 119.66 122.96 2e9j s GLN 114 Ca 0.03 0.92 0.03 0.00 -1.82 0.00 0.00 55.36 54.52 2e9j s GLN 114 Cb -0.28 -3.63 0.09 0.00 -1.09 0.00 0.00 33.01 28.10 2e9j s GLN 114 CO 0.04 -0.46 0.03 0.95 -1.32 0.00 0.00 175.29 174.53 2e9j s THR 115 N 2.63 1.90 -0.30 3.63 -4.23 -1.26 -4.88 115.64 113.12 2e9j s THR 115 Ca 0.35 -1.94 -0.08 0.00 -1.18 0.00 0.00 61.69 58.83 2e9j s THR 115 Cb -0.16 -2.33 0.01 0.00 1.34 0.00 0.00 72.50 71.36 2e9j s THR 115 CO 0.09 -0.49 0.39 0.61 -0.54 0.00 0.00 174.62 174.67 2e9j n GLY 116 N 4.44 -1.05 0.22 3.99 0.00 -1.26 -4.96 105.19 106.57 2e9j n GLY 116 Ca -0.01 0.65 -0.15 0.00 0.00 0.00 0.00 46.02 46.51 2e9j n GLY 116 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2e9j h ASP 117 N 1.07 -0.42 -3.35 1.61 3.58 -2.02 -3.41 116.42 113.48 2e9j h ASP 117 Ca 0.00 -0.03 -0.55 0.00 0.42 0.00 0.00 57.03 56.88 2e9j h ASP 117 Cb 0.69 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.83 2e9j h ASP 117 CO 0.14 -0.25 0.43 0.00 -2.88 0.00 0.00 179.24 176.68 2e9j s ALA 118 N -5.87 3.25 -2.09 -0.78 0.00 -1.26 -5.17 121.76 109.84 2e9j s ALA 118 Ca -0.15 0.47 0.31 0.00 0.00 0.00 0.00 51.96 52.59 2e9j s ALA 118 Cb 0.04 -3.36 1.76 0.00 0.00 0.00 0.00 23.12 21.55 2e9j s ALA 118 CO 0.62 -0.36 2.14 0.43 0.00 0.00 0.00 175.76 178.59