#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 3.61 -0.09 1.61 1.04 -1.26 -5.10 113.70 113.50 2e9j s SER 2 Ca 0.00 -1.65 -0.11 0.00 0.48 0.00 0.00 55.95 54.67 2e9j s SER 2 Cb 0.00 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 2e9j s SER 2 CO 0.00 -0.86 -0.22 -1.20 0.98 0.00 0.00 173.24 171.94 2e9j n SER 3 N -1.26 1.43 0.00 7.02 7.64 -1.26 -5.12 113.62 122.06 2e9j n SER 3 Ca -0.14 0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2e9j n SER 3 Cb 0.66 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2e9j n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e9j n GLY 4 N 1.97 -1.44 3.41 0.23 0.00 -1.26 -5.01 105.19 103.09 2e9j n GLY 4 Ca -0.09 -1.55 -0.22 0.00 0.00 0.00 0.00 46.02 44.16 2e9j n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9j s SER 5 N -4.00 2.16 0.10 1.61 0.01 -1.26 -5.18 113.70 107.14 2e9j s SER 5 Ca 0.00 -1.65 0.01 0.00 1.31 0.00 0.00 55.95 55.62 2e9j s SER 5 Cb 0.00 0.47 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 2e9j s SER 5 CO 0.00 -0.94 -0.03 -0.55 0.41 0.00 0.00 173.24 172.13 2e9j s SER 6 N -3.48 0.89 0.57 2.44 0.15 -1.26 -5.17 113.70 107.84 2e9j s SER 6 Ca 0.31 -1.06 0.05 0.00 0.70 0.00 0.00 55.95 55.95 2e9j s SER 6 Cb 0.03 0.15 0.10 0.00 -1.71 0.00 0.00 66.02 64.59 2e9j s SER 6 CO 0.18 -0.55 0.76 0.61 1.20 0.00 0.00 173.24 175.44 2e9j n GLY 7 N -0.05 1.46 3.28 9.45 0.00 -1.26 -5.14 105.19 112.93 2e9j n GLY 7 Ca -0.11 -2.14 -0.17 0.00 0.00 0.00 0.00 46.02 43.60 2e9j n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e9j s ARG 8 N -4.44 1.54 -0.59 1.61 0.52 -1.26 -5.11 118.95 111.21 2e9j s ARG 8 Ca 0.54 -1.87 0.05 0.00 -0.52 0.00 0.00 55.73 53.94 2e9j s ARG 8 Cb -0.04 0.16 0.20 0.00 0.52 0.00 0.00 34.95 35.79 2e9j s ARG 8 CO 0.35 -0.50 0.54 0.43 0.02 0.00 0.00 175.30 176.13 2e9j n SER 9 N -0.95 2.16 -4.76 0.23 7.64 -1.26 -5.11 113.62 111.56 2e9j n SER 9 Ca 0.04 -3.04 -0.31 0.00 1.01 0.00 0.00 58.87 56.56 2e9j n SER 9 Cb 0.64 -0.68 0.10 0.00 -1.01 0.00 0.00 64.21 63.26 2e9j n SER 9 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2e9j s PRO 10 N -1.40 2.18 -0.15 1.43 0.04 -1.26 -5.08 135.00 130.77 2e9j s PRO 10 Ca 0.32 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 2e9j s PRO 10 Cb 0.05 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.79 2e9j s PRO 10 CO -0.13 -1.69 0.80 -0.59 0.04 0.00 0.00 177.00 175.43 2e9j s PHE 11 N -2.90 -0.60 -0.46 0.56 -0.71 -1.26 -5.12 117.98 107.48 2e9j s PHE 11 Ca 0.61 1.20 0.03 0.00 -1.04 0.00 0.00 56.93 57.73 2e9j s PHE 11 Cb -0.17 0.38 0.12 0.00 -1.21 0.00 0.00 43.02 42.14 2e9j s PHE 11 CO 0.56 -0.46 0.20 0.21 -1.34 0.00 0.00 175.22 174.40 2e9j s LYS 12 N -0.66 1.86 -0.19 1.99 2.36 -1.26 -5.07 119.74 118.76 2e9j s LYS 12 Ca -0.05 -2.34 -0.01 0.00 -2.55 0.00 0.00 55.97 51.02 2e9j s LYS 12 Cb -0.02 -3.33 0.00 0.00 -1.05 0.00 0.00 37.83 33.44 2e9j s LYS 12 CO 0.04 -1.06 -0.12 0.14 1.55 0.00 0.00 175.35 175.91 2e9j s VAL 13 N 0.18 2.80 -1.12 4.02 -7.23 -1.26 -5.05 120.40 112.76 2e9j s VAL 13 Ca 0.15 -0.70 -0.07 0.00 -1.81 0.00 0.00 61.98 59.55 2e9j s VAL 13 Cb -0.23 -2.23 0.28 0.00 0.56 0.00 0.00 36.38 34.77 2e9j s VAL 13 CO -0.03 0.49 1.39 0.29 -0.31 0.00 0.00 175.10 176.93 2e9j n LYS 14 N 4.49 4.06 -4.58 4.82 5.02 -1.26 -4.98 118.16 125.72 2e9j n LYS 14 Ca -0.19 -4.41 -0.27 0.00 -2.02 0.00 0.00 58.31 51.41 2e9j n LYS 14 Cb 0.51 -2.58 -0.08 0.00 -0.02 0.00 0.00 35.03 32.85 2e9j n LYS 14 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2e9j s VAL 15 N -1.84 0.90 -0.02 -0.18 -7.23 -1.26 -5.16 120.40 105.61 2e9j s VAL 15 Ca 0.32 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.50 2e9j s VAL 15 Cb -0.00 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 2e9j s VAL 15 CO 0.03 0.00 0.01 -1.48 -0.31 0.00 0.00 175.10 173.35 2e9j s LEU 16 N -3.67 3.55 0.85 1.32 2.34 -1.26 -5.11 118.68 116.69 2e9j s LEU 16 Ca 0.21 0.04 -0.11 0.00 0.06 0.00 0.00 54.13 54.32 2e9j s LEU 16 Cb 0.03 -1.99 0.10 0.00 -0.56 0.00 0.00 46.19 43.78 2e9j s LEU 16 CO 0.12 0.30 1.09 -2.16 -1.06 0.00 0.00 176.35 174.64 2e9j s PRO 17 N -1.41 1.61 0.09 1.48 0.04 -1.26 -4.98 135.00 130.57 2e9j s PRO 17 Ca 0.18 0.94 0.22 0.00 0.04 0.00 0.00 61.00 62.39 2e9j s PRO 17 Cb -0.11 -1.84 -0.16 0.00 0.04 0.00 0.00 34.50 32.42 2e9j s PRO 17 CO 0.09 -2.03 0.76 2.41 0.04 0.00 0.00 177.00 178.27 2e9j n THR 18 N -3.75 0.38 -2.23 1.26 -1.04 -1.26 -4.94 114.28 102.70 2e9j n THR 18 Ca 0.08 -0.54 -0.36 0.00 -2.04 0.00 0.00 64.05 61.18 2e9j n THR 18 Cb 0.54 -0.20 -0.00 0.00 -1.82 0.00 0.00 70.33 68.85 2e9j n THR 18 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2e9j s TYR 19 N -3.40 2.77 -0.18 -1.42 -0.85 -1.26 -4.29 117.35 108.72 2e9j s TYR 19 Ca -0.04 1.53 -0.04 0.00 -0.52 0.00 0.00 57.07 58.00 2e9j s TYR 19 Cb 0.11 -3.38 0.09 0.00 0.38 0.00 0.00 41.96 39.17 2e9j s TYR 19 CO 0.85 -1.62 0.27 -0.51 -1.52 0.00 0.00 175.55 173.02 2e9j s ASP 20 N -1.47 0.70 0.21 -0.18 1.01 -1.24 -4.92 116.67 110.77 2e9j s ASP 20 Ca 0.67 0.23 -0.10 0.00 0.71 0.00 0.00 52.55 54.06 2e9j s ASP 20 Cb -0.28 0.68 0.25 0.00 1.01 0.00 0.00 42.92 44.58 2e9j s ASP 20 CO 0.33 -0.28 1.77 0.00 0.21 0.00 0.00 175.17 177.19 2e9j h ALA 21 N 8.27 0.81 -1.06 5.23 0.00 -1.86 -0.77 119.26 129.88 2e9j h ALA 21 Ca -0.16 0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.09 2e9j h ALA 21 Cb 1.14 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 2e9j h ALA 21 CO 0.22 -0.11 0.73 0.77 0.00 0.00 0.00 179.25 180.85 2e9j h SER 22 N 0.50 0.20 -0.30 0.00 0.02 -1.92 0.46 113.55 112.51 2e9j h SER 22 Ca 0.30 0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 61.12 2e9j h SER 22 Cb 0.30 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.75 2e9j h SER 22 CO -0.25 0.04 0.21 0.29 -1.14 0.00 0.00 176.83 175.98 2e9j n LYS 23 N -4.39 1.40 -4.01 3.45 4.76 -0.30 -4.77 118.16 114.29 2e9j n LYS 23 Ca 0.24 -0.91 -0.30 0.00 -2.87 0.00 0.00 58.31 54.47 2e9j n LYS 23 Cb 1.02 -1.36 -0.16 0.00 -1.84 0.00 0.00 35.03 32.69 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 -1.07 1.57 0.09 -0.18 1.01 0.16 -3.63 120.40 118.35 2e9j s VAL 24 Ca 0.17 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2e9j s VAL 24 Cb 0.14 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2e9j s VAL 24 CO 0.03 0.40 -0.07 0.42 0.00 0.00 0.00 175.10 175.88 2e9j s THR 25 N 1.48 0.70 0.04 3.92 -4.23 -1.24 -4.89 115.64 111.42 2e9j s THR 25 Ca 0.04 -1.70 0.02 0.00 -1.18 0.00 0.00 61.69 58.87 2e9j s THR 25 Cb -0.13 -1.40 -0.02 0.00 1.34 0.00 0.00 72.50 72.28 2e9j s THR 25 CO -0.10 -0.72 -0.08 0.00 -0.54 0.00 0.00 174.62 173.18 2e9j s ALA 26 N -2.96 0.58 -0.12 3.99 0.00 -1.26 -1.85 121.76 120.14 2e9j s ALA 26 Ca 0.06 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 51.13 2e9j s ALA 26 Cb 0.01 0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.22 2e9j s ALA 26 CO -0.03 -0.03 0.31 -1.12 0.00 0.00 0.00 175.76 174.89 2e9j s SER 27 N -1.65 -0.33 0.00 0.00 0.01 -1.02 -4.99 113.70 105.71 2e9j s SER 27 Ca -0.09 0.64 0.00 0.00 1.31 0.00 0.00 55.95 57.81 2e9j s SER 27 Cb -0.09 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.75 2e9j s SER 27 CO 0.00 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2e9j n GLY 28 N 3.26 -0.84 0.20 3.44 0.00 -1.26 -3.29 105.19 106.70 2e9j n GLY 28 Ca -0.16 -1.52 -0.04 0.00 0.00 0.00 0.00 46.02 44.30 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 2.77 0.35 -0.60 1.61 0.13 -1.99 -2.95 132.00 131.32 2e9j h PRO 29 Ca 0.00 -0.18 0.14 0.00 -0.87 0.00 0.00 66.00 65.08 2e9j h PRO 29 Cb 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2e9j h PRO 29 CO 0.00 0.73 0.42 0.78 -0.23 0.00 0.00 178.00 179.70 2e9j h GLY 30 N 1.21 0.36 -1.56 1.56 0.00 -1.86 -0.91 103.07 101.87 2e9j h GLY 30 Ca 0.02 -0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.15 2e9j h GLY 30 CO 0.08 0.04 -0.19 1.04 0.00 0.00 0.00 176.54 177.50 2e9j n LEU 31 N -4.44 3.56 -4.66 3.11 4.77 -1.16 -4.99 117.00 113.20 2e9j n LEU 31 Ca 0.11 -3.72 -0.42 0.00 -0.03 0.00 0.00 56.01 51.95 2e9j n LEU 31 Cb 0.51 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 2e9j n LEU 31 CO 0.35 1.23 1.42 -0.55 -1.33 0.00 0.00 177.39 178.50 2e9j s SER 32 N -2.73 6.61 0.25 -1.43 0.15 -0.35 -4.87 113.70 111.33 2e9j s SER 32 Ca 0.42 2.37 -0.02 0.00 0.70 0.00 0.00 55.95 59.41 2e9j s SER 32 Cb 0.38 -2.54 0.29 0.00 -1.71 0.00 0.00 66.02 62.45 2e9j s SER 32 CO -0.01 -0.95 1.71 0.77 1.20 0.00 0.00 173.24 175.96 2e9j h SER 33 N 9.65 0.75 -0.37 5.45 4.64 -1.89 -2.67 113.55 129.10 2e9j h SER 33 Ca -0.42 -0.21 0.02 0.00 -0.47 0.00 0.00 61.79 60.70 2e9j h SER 33 Cb 1.19 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 2e9j h SER 33 CO 0.95 0.87 0.24 0.22 -0.87 0.00 0.00 176.83 178.24 2e9j h TYR 34 N 0.69 0.41 0.00 4.77 5.03 -1.96 -3.45 116.97 122.46 2e9j h TYR 34 Ca 0.12 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.44 2e9j h TYR 34 Cb 0.56 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.70 2e9j h TYR 34 CO 0.03 0.25 0.00 0.41 -1.32 0.00 0.00 178.16 177.52 2e9j n GLY 35 N -1.50 4.09 3.39 1.82 0.00 -1.01 -4.95 105.19 107.04 2e9j n GLY 35 Ca 0.03 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.25 2.28 -0.05 1.61 -7.23 -0.90 -4.81 120.40 109.04 2e9j s VAL 36 Ca 0.00 -1.67 -0.30 0.00 -1.81 0.00 0.00 61.98 58.20 2e9j s VAL 36 Cb 0.00 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 2e9j s VAL 36 CO 0.00 0.14 1.49 -2.16 -0.31 0.00 0.00 175.10 174.26 2e9j s PRO 37 N -1.91 4.23 1.00 4.82 0.04 -1.26 0.08 135.00 142.00 2e9j s PRO 37 Ca 0.14 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.08 2e9j s PRO 37 Cb -0.10 -3.76 0.17 0.00 0.04 0.00 0.00 34.50 30.85 2e9j s PRO 37 CO 0.06 -0.71 1.01 0.00 0.04 0.00 0.00 177.00 177.39 2e9j n ALA 38 N 6.26 -1.64 -4.37 8.56 0.00 -1.22 -2.99 120.51 125.11 2e9j n ALA 38 Ca 0.15 -0.75 -0.37 0.00 0.00 0.00 0.00 53.44 52.47 2e9j n ALA 38 Cb 0.43 -2.09 -0.07 0.00 0.00 0.00 0.00 19.45 17.73 2e9j n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2e9j n SER 39 N -4.09 -1.41 -3.65 0.00 2.88 -0.76 -4.92 113.62 101.67 2e9j n SER 39 Ca 0.09 -1.18 -0.21 0.00 -1.33 0.00 0.00 58.87 56.23 2e9j n SER 39 Cb 0.53 -1.99 -0.18 0.00 -0.75 0.00 0.00 64.21 61.82 2e9j n SER 39 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2e9j s LEU 40 N -7.26 0.17 -0.67 2.46 1.98 -1.16 -5.02 118.68 109.19 2e9j s LEU 40 Ca 0.55 -0.08 -0.26 0.00 -2.89 0.00 0.00 54.13 51.46 2e9j s LEU 40 Cb -0.32 -0.14 -0.03 0.00 0.66 0.00 0.00 46.19 46.37 2e9j s LEU 40 CO 0.99 -0.27 1.88 -2.16 -1.89 0.00 0.00 176.35 174.89 2e9j s PRO 41 N 2.17 2.61 -0.05 0.98 0.04 -1.26 -4.40 135.00 135.09 2e9j s PRO 41 Ca 0.04 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.53 2e9j s PRO 41 Cb -0.13 -4.52 -0.03 0.00 0.04 0.00 0.00 34.50 29.86 2e9j s PRO 41 CO -0.05 -2.86 -0.02 0.54 0.04 0.00 0.00 177.00 174.65 2e9j s VAL 42 N 9.29 4.05 0.04 -0.36 0.11 -0.99 -4.85 120.40 127.69 2e9j s VAL 42 Ca 0.68 -0.46 0.05 0.00 -2.93 0.00 0.00 61.98 59.32 2e9j s VAL 42 Cb -0.11 -2.73 -0.02 0.00 -1.53 0.00 0.00 36.38 31.98 2e9j s VAL 42 CO 0.17 0.51 -0.16 1.51 -3.33 0.00 0.00 175.10 173.80 2e9j s ASP 43 N -1.13 1.87 0.27 3.54 -4.77 -1.26 -1.63 116.67 113.57 2e9j s ASP 43 Ca 0.15 -0.48 0.02 0.00 -3.30 0.00 0.00 52.55 48.95 2e9j s ASP 43 Cb -0.11 -0.13 0.02 0.00 -1.09 0.00 0.00 42.92 41.61 2e9j s ASP 43 CO 0.05 0.06 0.17 2.22 0.70 0.00 0.00 175.17 178.37 2e9j n PHE 44 N 1.87 -0.77 -3.90 2.11 -1.74 -1.15 -4.27 117.46 109.60 2e9j n PHE 44 Ca -0.18 -1.19 -0.20 0.00 -0.56 0.00 0.00 57.45 55.32 2e9j n PHE 44 Cb 0.54 -0.22 -0.17 0.00 1.52 0.00 0.00 39.48 41.16 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 -2.41 0.53 -0.57 1.98 0.00 -1.21 -3.35 121.76 116.74 2e9j s ALA 45 Ca 0.13 0.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.91 2e9j s ALA 45 Cb -0.01 -0.52 0.09 0.00 0.00 0.00 0.00 23.12 22.68 2e9j s ALA 45 CO 0.08 -0.24 0.67 0.42 0.00 0.00 0.00 175.76 176.70 2e9j s ILE 46 N 1.44 4.85 -0.34 0.00 1.01 0.66 -2.45 121.20 126.38 2e9j s ILE 46 Ca -0.03 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.51 2e9j s ILE 46 Cb -0.13 -4.43 0.00 0.00 0.01 0.00 0.00 42.46 37.91 2e9j s ILE 46 CO -0.03 -1.03 0.69 -1.81 0.00 0.00 0.00 174.94 172.77 2e9j s ASP 47 N 3.38 6.51 -0.17 3.58 1.11 -0.77 -3.04 116.67 127.27 2e9j s ASP 47 Ca 0.12 0.34 -0.01 0.00 0.18 0.00 0.00 52.55 53.17 2e9j s ASP 47 Cb -0.23 -2.36 -0.01 0.00 1.07 0.00 0.00 42.92 41.39 2e9j s ASP 47 CO 0.07 -0.61 -0.11 0.00 1.18 0.00 0.00 175.17 175.71 2e9j s ALA 48 N 2.82 2.65 -0.19 5.23 0.00 -1.23 -3.66 121.76 127.38 2e9j s ALA 48 Ca 0.27 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 51.07 2e9j s ALA 48 Cb -0.14 -1.37 -0.08 0.00 0.00 0.00 0.00 23.12 21.52 2e9j s ALA 48 CO 0.14 -0.04 -0.21 0.54 0.00 0.00 0.00 175.76 176.19 2e9j n ARG 49 N 4.06 0.52 -0.69 0.00 1.74 -1.26 -4.67 116.66 116.36 2e9j n ARG 49 Ca -0.18 0.38 0.06 0.00 -0.77 0.00 0.00 57.85 57.33 2e9j n ARG 49 Cb 0.52 -1.57 0.19 0.00 -1.02 0.00 0.00 32.46 30.57 2e9j n ARG 49 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2e9j n ASP 50 N -4.47 1.64 -0.33 0.55 9.92 -1.26 -4.73 116.55 117.87 2e9j n ASP 50 Ca -0.22 -3.70 0.01 0.00 -0.53 0.00 0.00 54.79 50.35 2e9j n ASP 50 Cb 0.53 -0.50 0.02 0.00 -0.64 0.00 0.00 41.12 40.53 2e9j n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2e9j n ALA 51 N -0.95 2.54 -0.10 2.24 0.00 -1.24 -4.36 120.51 118.64 2e9j n ALA 51 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2e9j n ALA 51 Cb 0.74 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2e9j n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2e9j n GLY 52 N 0.32 0.86 3.26 0.00 0.00 -1.26 -3.71 105.19 104.65 2e9j n GLY 52 Ca 0.02 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 3.21 0.26 1.61 2.56 -1.26 -4.91 118.70 120.17 2e9j s GLU 53 Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 54.97 54.04 2e9j s GLU 53 Cb 0.00 -2.65 0.01 0.00 2.00 0.00 0.00 34.13 33.50 2e9j s GLU 53 CO 0.00 -0.01 0.62 0.20 -0.56 0.00 0.00 175.26 175.51 2e9j s GLY 54 N 0.89 0.14 -0.57 -1.50 0.00 -1.26 -4.57 107.32 100.44 2e9j s GLY 54 Ca -0.04 -0.51 -0.28 0.00 0.00 0.00 0.00 44.72 43.90 2e9j s GLY 54 CO -0.01 -0.29 1.16 -2.27 0.00 0.00 0.00 173.10 171.68 2e9j s LEU 55 N -2.95 3.54 0.31 0.66 0.20 -1.26 -4.81 118.68 114.36 2e9j s LEU 55 Ca 0.15 0.07 -0.28 0.00 0.69 0.00 0.00 54.13 54.76 2e9j s LEU 55 Cb -0.04 -3.14 -0.09 0.00 -0.43 0.00 0.00 46.19 42.49 2e9j s LEU 55 CO 0.07 -1.44 1.04 -0.22 -0.29 0.00 0.00 176.35 175.51 2e9j s LEU 56 N 4.81 4.45 0.00 -0.68 2.96 -1.26 -2.83 118.68 126.13 2e9j s LEU 56 Ca 0.42 2.10 0.01 0.00 -0.22 0.00 0.00 54.13 56.43 2e9j s LEU 56 Cb -0.08 -3.80 -0.00 0.00 0.50 0.00 0.00 46.19 42.80 2e9j s LEU 56 CO 0.25 -0.16 -0.03 0.00 -1.32 0.00 0.00 176.35 175.09 2e9j s ALA 57 N -1.34 0.24 -0.16 5.97 0.00 -0.80 -5.03 121.76 120.65 2e9j s ALA 57 Ca 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2e9j s ALA 57 Cb -0.27 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 22.85 2e9j s ALA 57 CO 0.34 0.04 -0.10 0.08 0.00 0.00 0.00 175.76 176.12 2e9j s VAL 58 N -0.25 1.37 -0.26 0.00 1.01 -1.26 -2.51 120.40 118.50 2e9j s VAL 58 Ca -0.01 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2e9j s VAL 58 Cb -0.02 -1.41 0.05 0.00 0.00 0.00 0.00 36.38 35.00 2e9j s VAL 58 CO -0.00 0.29 -0.08 -1.10 0.00 0.00 0.00 175.10 174.21 2e9j s GLN 59 N 1.54 2.50 -0.05 2.72 -0.21 -1.21 -5.03 119.66 119.93 2e9j s GLN 59 Ca 0.02 -1.19 0.01 0.00 0.02 0.00 0.00 55.36 54.23 2e9j s GLN 59 Cb -0.14 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 30.89 2e9j s GLN 59 CO -0.09 -0.51 -0.06 0.42 -2.12 0.00 0.00 175.29 172.93 2e9j s ILE 60 N 1.21 3.73 0.25 1.08 1.01 -1.26 -1.06 121.20 126.16 2e9j s ILE 60 Ca -0.04 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.07 2e9j s ILE 60 Cb -0.18 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 2e9j s ILE 60 CO -0.05 0.55 0.23 0.42 0.00 0.00 0.00 174.94 176.10 2e9j s THR 61 N -0.86 0.00 0.32 2.92 -4.23 -0.91 -3.42 115.64 109.46 2e9j s THR 61 Ca 0.14 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 58.76 2e9j s THR 61 Cb -0.11 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.27 2e9j s THR 61 CO 0.03 0.00 0.19 -0.90 -0.54 0.00 0.00 174.62 173.40 2e9j n ASP 62 N -0.72 2.18 -0.32 3.99 5.68 -1.19 -3.06 116.55 123.11 2e9j n ASP 62 Ca 0.03 -2.14 0.12 0.00 -0.50 0.00 0.00 54.79 52.30 2e9j n ASP 62 Cb 0.64 0.02 0.34 0.00 -1.14 0.00 0.00 41.12 40.98 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 0.74 0.00 0.11 3.07 -1.86 0.18 115.11 117.36 2e9j h GLN 63 Ca -0.21 -0.04 -0.07 0.00 0.09 0.00 0.00 58.65 58.42 2e9j h GLN 63 Cb 0.74 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 2e9j h GLN 63 CO 0.34 0.49 -0.35 1.49 0.09 0.00 0.00 178.83 180.89 2e9j h GLU 64 N 0.77 0.00 -0.15 0.06 4.81 -1.95 -3.48 114.58 114.64 2e9j h GLU 64 Ca 0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 2e9j h GLU 64 Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2e9j h GLU 64 CO -0.28 0.31 0.00 0.41 -0.73 0.00 0.00 179.01 178.72 2e9j n GLY 65 N 1.18 1.24 3.92 1.92 0.00 0.63 -5.10 105.19 108.99 2e9j n GLY 65 Ca 0.02 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 2e9j n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e9j s LYS 66 N -1.51 3.55 0.15 1.61 -0.14 -1.26 -4.75 119.74 117.38 2e9j s LYS 66 Ca 0.00 -0.25 -0.31 0.00 -1.36 0.00 0.00 55.97 54.05 2e9j s LYS 66 Cb 0.00 -2.78 -0.08 0.00 -1.68 0.00 0.00 37.83 33.29 2e9j s LYS 66 CO 0.00 0.34 1.33 -1.25 -0.76 0.00 0.00 175.35 175.01 2e9j s PRO 67 N -3.44 4.36 0.09 -1.68 0.04 -1.26 -3.16 135.00 129.95 2e9j s PRO 67 Ca 0.40 2.04 0.09 0.00 0.04 0.00 0.00 61.00 63.56 2e9j s PRO 67 Cb -0.11 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 2e9j s PRO 67 CO 0.30 -0.33 -0.20 0.15 0.04 0.00 0.00 177.00 176.96 2e9j s LYS 68 N 0.49 1.84 -0.06 4.56 -0.14 -1.22 -5.01 119.74 120.21 2e9j s LYS 68 Ca 0.60 -1.13 -0.30 0.00 -1.36 0.00 0.00 55.97 53.79 2e9j s LYS 68 Cb -0.36 -2.11 -0.05 0.00 -1.68 0.00 0.00 37.83 33.63 2e9j s LYS 68 CO 0.34 0.50 1.61 0.50 -0.76 0.00 0.00 175.35 177.54 2e9j s ARG 69 N -1.83 4.19 -0.09 1.68 3.52 -1.26 -4.82 118.95 120.34 2e9j s ARG 69 Ca 0.16 2.14 0.01 0.00 -0.13 0.00 0.00 55.73 57.91 2e9j s ARG 69 Cb -0.10 -3.94 0.02 0.00 -1.56 0.00 0.00 34.95 29.37 2e9j s ARG 69 CO 0.07 -0.82 -0.10 0.00 -0.81 0.00 0.00 175.30 173.64 2e9j s ALA 70 N 3.88 1.35 0.20 6.12 0.00 -1.26 -4.40 121.76 127.65 2e9j s ALA 70 Ca 0.71 -0.52 -0.17 0.00 0.00 0.00 0.00 51.96 51.98 2e9j s ALA 70 Cb -0.32 -0.76 -0.08 0.00 0.00 0.00 0.00 23.12 21.96 2e9j s ALA 70 CO 0.28 -0.16 0.66 0.42 0.00 0.00 0.00 175.76 176.97 2e9j s ILE 71 N 1.19 4.68 -0.19 0.00 1.01 -0.71 -4.98 121.20 122.20 2e9j s ILE 71 Ca -0.04 1.10 -0.04 0.00 0.00 0.00 0.00 60.65 61.67 2e9j s ILE 71 Cb -0.14 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 2e9j s ILE 71 CO -0.03 0.19 -0.03 0.54 0.00 0.00 0.00 174.94 175.62 2e9j s VAL 72 N -1.53 3.77 -0.12 2.92 0.11 -1.26 -2.80 120.40 121.48 2e9j s VAL 72 Ca 0.42 -0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 59.08 2e9j s VAL 72 Cb -0.16 -2.68 -0.02 0.00 -1.53 0.00 0.00 36.38 31.99 2e9j s VAL 72 CO 0.20 0.45 -0.09 -2.28 -3.33 0.00 0.00 175.10 170.05 2e9j s HIS 73 N 0.85 2.89 -0.21 1.54 2.46 -0.10 -5.02 115.29 117.70 2e9j s HIS 73 Ca -0.00 -0.40 -0.03 0.00 0.47 0.00 0.00 55.06 55.10 2e9j s HIS 73 Cb -0.14 -1.85 -0.01 0.00 -0.13 0.00 0.00 32.58 30.45 2e9j s HIS 73 CO 0.02 -0.05 -0.07 0.16 -2.47 0.00 0.00 174.74 172.33 2e9j s ASP 74 N 0.12 4.13 -0.14 9.88 -4.77 -1.26 -3.43 116.67 121.19 2e9j s ASP 74 Ca -0.04 -0.42 0.09 0.00 -3.30 0.00 0.00 52.55 48.88 2e9j s ASP 74 Cb -0.14 -1.69 -0.15 0.00 -1.09 0.00 0.00 42.92 39.85 2e9j s ASP 74 CO 0.04 0.00 -0.01 0.59 0.70 0.00 0.00 175.17 176.49 2e9j n ASN 75 N 4.64 2.04 -2.79 2.11 3.02 -1.26 -5.01 115.26 118.00 2e9j n ASN 75 Ca -0.19 -0.02 -0.21 0.00 -0.03 0.00 0.00 54.58 54.13 2e9j n ASN 75 Cb 0.51 0.53 0.03 0.00 -0.61 0.00 0.00 39.78 40.24 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 -2.62 -4.42 -0.69 3.52 4.76 -1.26 -4.88 118.16 112.57 2e9j n LYS 76 Ca -0.23 0.86 0.05 0.00 -2.87 0.00 0.00 58.31 56.12 2e9j n LYS 76 Cb 0.89 -5.60 0.11 0.00 -1.84 0.00 0.00 35.03 28.60 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 -2.21 1.37 0.00 4.39 2.03 -1.26 -4.94 116.55 115.93 2e9j n ASP 77 Ca -0.12 -2.89 0.00 0.00 0.52 0.00 0.00 54.79 52.31 2e9j n ASP 77 Cb 0.62 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 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 -0.58 0.67 3.34 0.27 0.00 -1.26 -5.03 105.19 102.59 2e9j n GLY 78 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.10 0.32 -0.16 2.61 -4.23 -1.26 -3.51 115.64 107.30 2e9j s THR 79 Ca 0.00 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 2e9j s THR 79 Cb 0.00 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.37 2e9j s THR 79 CO 0.00 0.00 0.42 -0.31 -0.54 0.00 0.00 174.62 174.19 2e9j s TYR 80 N -3.60 -0.49 -0.04 3.99 2.02 -1.17 -4.35 117.35 113.71 2e9j s TYR 80 Ca 0.36 1.16 0.07 0.00 -0.37 0.00 0.00 57.07 58.28 2e9j s TYR 80 Cb 0.05 0.18 -0.01 0.00 -0.40 0.00 0.00 41.96 41.77 2e9j s TYR 80 CO 0.18 -0.24 -0.25 0.00 -1.57 0.00 0.00 175.55 173.66 2e9j s ALA 81 N 0.41 2.12 -0.08 3.71 0.00 -1.22 -0.25 121.76 126.45 2e9j s ALA 81 Ca -0.02 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 2e9j s ALA 81 Cb -0.04 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.51 2e9j s ALA 81 CO -0.02 0.46 -0.03 0.08 0.00 0.00 0.00 175.76 176.26 2e9j s VAL 82 N -0.38 0.58 0.06 0.00 1.01 -1.21 -0.93 120.40 119.54 2e9j s VAL 82 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 2e9j s VAL 82 Cb -0.12 -0.69 -0.06 0.00 0.00 0.00 0.00 36.38 35.52 2e9j s VAL 82 CO 0.01 0.29 0.38 -0.89 0.00 0.00 0.00 175.10 174.89 2e9j s THR 83 N 1.80 5.12 -0.17 3.92 2.01 -1.12 -2.95 115.64 124.24 2e9j s THR 83 Ca 0.04 0.45 -0.12 0.00 0.31 0.00 0.00 61.69 62.36 2e9j s THR 83 Cb -0.13 -3.64 0.05 0.00 0.01 0.00 0.00 72.50 68.80 2e9j s THR 83 CO -0.06 0.33 0.44 -0.72 -0.69 0.00 0.00 174.62 173.92 2e9j s TYR 84 N -1.35 -0.57 -0.40 4.92 -0.85 -0.65 -1.73 117.35 116.72 2e9j s TYR 84 Ca 0.31 1.28 -0.05 0.00 -0.52 0.00 0.00 57.07 58.09 2e9j s TYR 84 Cb -0.14 0.24 0.09 0.00 0.38 0.00 0.00 41.96 42.53 2e9j s TYR 84 CO 0.17 -0.30 0.20 0.42 -1.52 0.00 0.00 175.55 174.52 2e9j s ILE 85 N 0.88 3.57 -0.49 -3.49 1.01 -1.26 -2.34 121.20 119.08 2e9j s ILE 85 Ca -0.05 -1.76 -0.27 0.00 0.00 0.00 0.00 60.65 58.56 2e9j s ILE 85 Cb -0.06 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 2e9j s ILE 85 CO -0.07 -0.57 1.79 -2.16 0.00 0.00 0.00 174.94 173.93 2e9j s PRO 86 N 1.25 2.98 -0.21 2.79 0.04 -1.26 -4.84 135.00 135.74 2e9j s PRO 86 Ca 0.05 0.93 -0.18 0.00 0.04 0.00 0.00 61.00 61.84 2e9j s PRO 86 Cb -0.23 -4.28 -0.15 0.00 0.04 0.00 0.00 34.50 29.88 2e9j s PRO 86 CO -0.02 -2.30 0.01 -0.25 0.04 0.00 0.00 177.00 174.49 2e9j n ASP 87 N 11.47 1.87 -4.54 6.66 9.92 -1.26 -1.83 116.55 138.84 2e9j n ASP 87 Ca 0.21 0.44 -0.41 0.00 -0.53 0.00 0.00 54.79 54.49 2e9j n ASP 87 Cb 0.50 -0.91 -0.03 0.00 -0.64 0.00 0.00 41.12 40.03 2e9j n ASP 87 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2e9j s LYS 88 N -2.40 3.44 0.98 -1.24 3.01 -1.26 -4.83 119.74 117.45 2e9j s LYS 88 Ca -0.28 -0.87 -0.15 0.00 -1.01 0.00 0.00 55.97 53.65 2e9j s LYS 88 Cb 0.07 -4.91 -0.02 0.00 -1.01 0.00 0.00 37.83 31.96 2e9j s LYS 88 CO 0.50 -2.14 -0.06 0.25 0.51 0.00 0.00 175.35 174.41 2e9j n THR 89 N 6.59 0.00 0.00 2.17 -2.24 -1.26 -4.72 114.28 114.82 2e9j n THR 89 Ca 0.21 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2e9j n THR 89 Cb 0.50 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 2e9j n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2e9j n GLY 90 N 2.21 0.26 3.74 3.38 0.00 -1.26 -4.92 105.19 108.60 2e9j n GLY 90 Ca 0.03 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 2e9j n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e9j s ARG 91 N 0.00 2.94 -0.19 1.61 3.00 -1.26 -2.89 118.95 122.16 2e9j s ARG 91 Ca 0.00 -0.54 -0.00 0.00 0.00 0.00 0.00 55.73 55.19 2e9j s ARG 91 Cb 0.00 -2.78 0.05 0.00 0.00 0.00 0.00 34.95 32.22 2e9j s ARG 91 CO 0.00 0.64 -0.04 0.71 0.00 0.00 0.00 175.30 176.61 2e9j s TYR 92 N -1.14 1.85 -0.25 -0.53 2.02 0.71 -2.78 117.35 117.22 2e9j s TYR 92 Ca 0.21 -1.29 -0.12 0.00 -0.37 0.00 0.00 57.07 55.50 2e9j s TYR 92 Cb -0.12 -1.37 -0.05 0.00 -0.40 0.00 0.00 41.96 40.03 2e9j s TYR 92 CO 0.12 -0.67 0.23 1.41 -1.57 0.00 0.00 175.55 175.06 2e9j s MET 93 N 1.58 4.04 -0.18 -0.62 1.75 -1.17 -2.59 119.30 122.11 2e9j s MET 93 Ca -0.02 -0.19 -0.02 0.00 -1.25 0.00 0.00 55.69 54.22 2e9j s MET 93 Cb -0.17 -3.59 -0.00 0.00 2.84 0.00 0.00 34.83 33.91 2e9j s MET 93 CO -0.07 -0.07 -0.10 0.42 -0.65 0.00 0.00 175.02 174.55 2e9j s ILE 94 N 1.43 2.98 -0.69 10.11 1.01 -1.08 -2.13 121.20 132.83 2e9j s ILE 94 Ca 0.10 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 2e9j s ILE 94 Cb -0.15 -2.31 0.18 0.00 0.01 0.00 0.00 42.46 40.19 2e9j s ILE 94 CO 0.08 0.48 0.53 -0.83 0.00 0.00 0.00 174.94 175.19 2e9j s GLY 95 N 1.11 2.59 -0.23 6.18 0.00 -0.23 -1.33 107.32 115.41 2e9j s GLY 95 Ca 0.01 -3.34 -0.29 0.00 0.00 0.00 0.00 44.72 41.10 2e9j s GLY 95 CO -0.03 1.14 1.03 0.14 0.00 0.00 0.00 173.10 175.38 2e9j s VAL 96 N -0.16 4.69 -0.02 1.40 1.01 -1.26 -3.29 120.40 122.76 2e9j s VAL 96 Ca 0.18 2.02 0.06 0.00 0.00 0.00 0.00 61.98 64.25 2e9j s VAL 96 Cb -0.18 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 31.87 2e9j s VAL 96 CO -0.05 -0.17 -0.21 0.42 0.00 0.00 0.00 175.10 175.09 2e9j s THR 97 N 3.16 2.51 -0.09 3.92 -4.23 -1.05 -2.98 115.64 116.89 2e9j s THR 97 Ca 0.44 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.97 2e9j s THR 97 Cb -0.15 -1.94 0.01 0.00 1.34 0.00 0.00 72.50 71.76 2e9j s THR 97 CO 0.06 0.54 -0.14 -0.47 -0.54 0.00 0.00 174.62 174.07 2e9j s TYR 98 N -0.71 1.78 -1.52 3.99 5.04 0.02 -1.91 117.35 124.06 2e9j s TYR 98 Ca 0.11 -0.75 -0.08 0.00 -2.44 0.00 0.00 57.07 53.91 2e9j s TYR 98 Cb -0.10 -1.29 0.07 0.00 0.35 0.00 0.00 41.96 40.99 2e9j s TYR 98 CO 0.01 -0.38 0.66 0.41 -1.34 0.00 0.00 175.55 174.90 2e9j n GLY 99 N 3.99 -0.35 2.65 8.97 0.00 -1.13 -0.43 105.19 118.88 2e9j n GLY 99 Ca -0.20 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.72 -0.33 3.00 -0.02 0.00 -1.26 -4.99 105.19 99.86 2e9j n GLY 100 Ca -0.13 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.57 0.39 0.19 1.61 1.11 0.42 -5.14 116.67 112.70 2e9j s ASP 101 Ca 0.17 0.49 -0.31 0.00 0.18 0.00 0.00 52.55 53.08 2e9j s ASP 101 Cb -0.07 0.81 -0.09 0.00 1.07 0.00 0.00 42.92 44.63 2e9j s ASP 101 CO 0.21 -0.26 1.44 1.51 1.18 0.00 0.00 175.17 179.25 2e9j s ASP 102 N 2.45 6.71 0.57 0.27 1.47 -1.26 -0.80 116.67 126.08 2e9j s ASP 102 Ca 0.03 2.55 -0.19 0.00 1.18 0.00 0.00 52.55 56.12 2e9j s ASP 102 Cb -0.13 -2.61 -0.05 0.00 -0.34 0.00 0.00 42.92 39.80 2e9j s ASP 102 CO -0.11 -0.70 1.15 0.27 0.68 0.00 0.00 175.17 176.46 2e9j s ILE 103 N 0.51 3.04 -2.00 2.11 -4.36 -1.16 -4.89 121.20 114.45 2e9j s ILE 103 Ca 0.63 0.63 0.11 0.00 -0.26 0.00 0.00 60.65 61.76 2e9j s ILE 103 Cb -0.41 -3.24 0.32 0.00 1.25 0.00 0.00 42.46 40.39 2e9j s ILE 103 CO 0.37 -0.15 1.11 -0.81 0.24 0.00 0.00 174.94 175.69 2e9j n PRO 104 N -1.46 0.49 -0.02 0.37 -0.04 -1.26 -2.01 135.00 131.07 2e9j n PRO 104 Ca 0.12 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.67 2e9j n PRO 104 Cb 0.51 -1.36 -0.16 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.86 0.00 -4.93 1.53 7.99 -1.26 -4.98 117.00 114.49 2e9j n LEU 105 Ca 0.08 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 55.84 2e9j n LEU 105 Cb 0.04 0.04 -0.00 0.00 -0.11 0.00 0.00 43.42 43.38 2e9j n LEU 105 CO 0.06 0.04 0.29 -0.44 -1.51 0.00 0.00 177.39 175.83 2e9j s SER 106 N -4.44 6.18 1.23 -1.43 0.01 -0.85 -4.49 113.70 109.90 2e9j s SER 106 Ca -0.08 0.57 -0.19 0.00 1.31 0.00 0.00 55.95 57.56 2e9j s SER 106 Cb 0.13 -2.00 0.28 0.00 0.21 0.00 0.00 66.02 64.64 2e9j s SER 106 CO 0.85 -0.48 1.02 -0.81 0.41 0.00 0.00 173.24 174.22 2e9j n PRO 107 N -2.01 -3.01 -4.28 12.44 -0.04 -1.26 -4.90 135.00 131.94 2e9j n PRO 107 Ca -0.02 -1.63 -0.32 0.00 -0.04 0.00 0.00 63.50 61.50 2e9j n PRO 107 Cb 0.56 -1.52 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.84 2.50 0.05 0.54 1.51 -0.44 -4.94 117.35 113.72 2e9j s TYR 108 Ca 0.66 -1.37 -0.26 0.00 -1.01 0.00 0.00 57.07 55.09 2e9j s TYR 108 Cb -0.07 -1.75 -0.05 0.00 -0.11 0.00 0.00 41.96 39.98 2e9j s TYR 108 CO 0.51 -0.68 0.80 -0.98 -1.11 0.00 0.00 175.55 174.09 2e9j s ARG 109 N 1.18 4.53 -0.07 -0.62 3.03 -1.26 -2.64 118.95 123.09 2e9j s ARG 109 Ca 0.00 1.13 -0.18 0.00 2.03 0.00 0.00 55.73 58.71 2e9j s ARG 109 Cb -0.14 -3.37 0.04 0.00 -1.03 0.00 0.00 34.95 30.45 2e9j s ARG 109 CO -0.08 0.25 0.42 0.42 -1.13 0.00 0.00 175.30 175.18 2e9j s ILE 110 N 0.02 0.03 -0.06 4.99 1.01 -1.07 -4.79 121.20 121.34 2e9j s ILE 110 Ca 0.40 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.82 2e9j s ILE 110 Cb -0.21 -0.69 0.02 0.00 0.01 0.00 0.00 42.46 41.59 2e9j s ILE 110 CO 0.24 -0.13 -0.07 -0.13 0.00 0.00 0.00 174.94 174.85 2e9j s ARG 111 N -0.84 1.16 -0.24 2.79 0.52 -1.26 -0.21 118.95 120.88 2e9j s ARG 111 Ca -0.09 -0.21 -0.27 0.00 -0.52 0.00 0.00 55.73 54.64 2e9j s ARG 111 Cb -0.04 -1.08 0.00 0.00 0.52 0.00 0.00 34.95 34.35 2e9j s ARG 111 CO 0.04 -0.06 0.95 0.00 0.02 0.00 0.00 175.30 176.25 2e9j s ALA 112 N 0.92 3.67 -0.81 2.13 0.00 -1.14 -2.13 121.76 124.40 2e9j s ALA 112 Ca -0.11 0.04 -0.24 0.00 0.00 0.00 0.00 51.96 51.65 2e9j s ALA 112 Cb -0.15 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.59 2e9j s ALA 112 CO 0.01 -1.00 1.24 0.95 0.00 0.00 0.00 175.76 176.95 2e9j s THR 113 N 3.05 4.00 -0.28 0.00 -4.23 0.11 -4.37 115.64 113.93 2e9j s THR 113 Ca 0.40 -0.24 -0.29 0.00 -1.18 0.00 0.00 61.69 60.38 2e9j s THR 113 Cb -0.15 -4.89 -0.02 0.00 1.34 0.00 0.00 72.50 68.78 2e9j s THR 113 CO 0.07 -1.76 1.69 -1.58 -0.54 0.00 0.00 174.62 172.50 2e9j s GLN 114 N 4.89 3.58 -0.26 3.99 -0.44 -1.26 -3.38 119.66 126.78 2e9j s GLN 114 Ca 0.35 1.53 -0.09 0.00 -2.50 0.00 0.00 55.36 54.64 2e9j s GLN 114 Cb -0.08 -4.11 0.11 0.00 -1.64 0.00 0.00 33.01 27.29 2e9j s GLN 114 CO 0.05 -1.56 0.56 0.99 0.50 0.00 0.00 175.29 175.84 2e9j s THR 115 N 5.97 -0.75 0.00 -0.34 2.01 -1.26 -5.04 115.64 116.22 2e9j s THR 115 Ca 0.75 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.81 2e9j s THR 115 Cb -0.23 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.41 2e9j s THR 115 CO 0.32 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 2e9j n GLY 116 N 5.28 1.35 4.16 4.40 0.00 -1.26 -4.92 105.19 114.20 2e9j n GLY 116 Ca -0.12 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 2e9j n GLY 116 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2e9j n ASP 117 N 0.00 -2.74 -4.41 1.61 2.03 -1.26 -4.91 116.55 106.87 2e9j n ASP 117 Ca 0.00 -1.00 -0.41 0.00 0.52 0.00 0.00 54.79 53.90 2e9j n ASP 117 Cb 0.00 -2.86 -0.11 0.00 -0.72 0.00 0.00 41.12 37.43 2e9j n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e9j s ALA 118 N -3.44 3.34 -1.47 -1.67 0.00 -1.26 -5.25 121.76 112.01 2e9j s ALA 118 Ca 0.58 -1.70 0.12 0.00 0.00 0.00 0.00 51.96 50.96 2e9j s ALA 118 Cb -0.31 -2.67 0.09 0.00 0.00 0.00 0.00 23.12 20.23 2e9j s ALA 118 CO 0.92 -1.38 0.87 -1.13 0.00 0.00 0.00 175.76 175.04