#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 0.06 -0.05 1.61 0.15 -1.26 -5.06 113.70 109.15 2e9j s SER 2 Ca 0.00 0.47 -0.09 0.00 0.70 0.00 0.00 55.95 57.03 2e9j s SER 2 Cb 0.00 0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 64.69 2e9j s SER 2 CO 0.00 -0.19 -0.17 -1.20 1.20 0.00 0.00 173.24 172.88 2e9j n SER 3 N 4.64 1.38 0.00 5.45 7.64 -1.26 -5.15 113.62 126.32 2e9j n SER 3 Ca -0.18 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2e9j n SER 3 Cb 0.51 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 2.38 0.04 3.88 0.23 0.00 -1.26 -5.14 105.19 105.32 2e9j n GLY 4 Ca -0.07 -2.29 -0.02 0.00 0.00 0.00 0.00 46.02 43.64 2e9j n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e9j s SER 5 N -2.35 -0.01 0.31 1.61 1.04 -1.26 -5.19 113.70 107.84 2e9j s SER 5 Ca 0.00 -0.57 0.04 0.00 0.48 0.00 0.00 55.95 55.89 2e9j s SER 5 Cb 0.00 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 2e9j s SER 5 CO 0.00 -0.87 0.29 -0.55 0.98 0.00 0.00 173.24 173.10 2e9j s SER 6 N -3.41 1.23 0.26 7.02 0.15 -1.26 -5.19 113.70 112.51 2e9j s SER 6 Ca 0.22 -1.63 -0.18 0.00 0.70 0.00 0.00 55.95 55.06 2e9j s SER 6 Cb -0.02 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.85 2e9j s SER 6 CO 0.04 -1.07 0.62 -0.83 1.20 0.00 0.00 173.24 173.20 2e9j s GLY 7 N -3.30 0.09 -0.21 9.45 0.00 -1.26 -5.18 107.32 106.91 2e9j s GLY 7 Ca 0.38 -0.46 -0.31 0.00 0.00 0.00 0.00 44.72 44.33 2e9j s GLY 7 CO 0.23 -0.27 1.19 1.09 0.00 0.00 0.00 173.10 175.34 2e9j s ARG 8 N -3.94 0.32 -0.30 2.90 1.70 -1.26 -5.16 118.95 113.21 2e9j s ARG 8 Ca 0.14 -0.00 -0.06 0.00 -0.47 0.00 0.00 55.73 55.34 2e9j s ARG 8 Cb -0.04 0.15 0.18 0.00 -0.57 0.00 0.00 34.95 34.67 2e9j s ARG 8 CO 0.06 -0.12 0.73 -1.12 -1.08 0.00 0.00 175.30 173.77 2e9j s SER 9 N -1.49 -1.11 1.23 -2.89 0.01 -1.26 -5.17 113.70 103.02 2e9j s SER 9 Ca 0.06 0.83 -0.20 0.00 1.31 0.00 0.00 55.95 57.95 2e9j s SER 9 Cb -0.01 1.98 0.30 0.00 0.21 0.00 0.00 66.02 68.50 2e9j s SER 9 CO -0.04 -0.21 1.11 -2.16 0.41 0.00 0.00 173.24 172.35 2e9j s PRO 10 N 2.86 -1.44 0.15 12.44 0.04 -1.26 -5.10 135.00 142.69 2e9j s PRO 10 Ca 0.11 -0.15 -0.01 0.00 0.04 0.00 0.00 61.00 61.00 2e9j s PRO 10 Cb -0.13 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 2e9j s PRO 10 CO -0.18 -3.84 0.07 -0.06 0.04 0.00 0.00 177.00 173.02 2e9j s PHE 11 N -3.02 0.94 0.03 0.56 0.40 -1.26 -5.17 117.98 110.46 2e9j s PHE 11 Ca 0.72 -1.24 -0.28 0.00 -0.60 0.00 0.00 56.93 55.52 2e9j s PHE 11 Cb -0.08 -0.51 0.10 0.00 0.51 0.00 0.00 43.02 43.03 2e9j s PHE 11 CO 0.56 -0.52 1.23 -1.59 0.70 0.00 0.00 175.22 175.60 2e9j s LYS 12 N -4.06 0.59 -0.23 0.44 0.00 -1.26 -5.12 119.74 110.09 2e9j s LYS 12 Ca 0.27 -0.36 -0.42 0.00 0.00 0.00 0.00 55.97 55.46 2e9j s LYS 12 Cb 0.07 0.18 -0.19 0.00 0.00 0.00 0.00 37.83 37.89 2e9j s LYS 12 CO 0.04 -0.27 1.28 0.28 0.00 0.00 0.00 175.35 176.67 2e9j n VAL 13 N -0.69 0.00 -4.65 1.79 0.31 -1.26 -4.94 118.33 108.89 2e9j n VAL 13 Ca -0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.08 2e9j n VAL 13 Cb 0.60 -0.23 -0.15 0.00 -0.91 0.00 0.00 33.84 33.15 2e9j n VAL 13 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2e9j s LYS 14 N 1.40 1.19 0.24 5.55 -0.14 -1.26 -5.15 119.74 121.57 2e9j s LYS 14 Ca 0.94 -0.50 0.07 0.00 -1.36 0.00 0.00 55.97 55.12 2e9j s LYS 14 Cb -1.33 -1.14 -0.05 0.00 -1.68 0.00 0.00 37.83 33.63 2e9j s LYS 14 CO 0.66 0.28 -0.10 0.14 -0.76 0.00 0.00 175.35 175.58 2e9j s VAL 15 N -0.26 1.64 0.33 3.17 -7.23 -1.26 -5.12 120.40 111.68 2e9j s VAL 15 Ca 0.04 -2.16 -0.29 0.00 -1.81 0.00 0.00 61.98 57.76 2e9j s VAL 15 Cb -0.06 -2.23 -0.11 0.00 0.56 0.00 0.00 36.38 34.54 2e9j s VAL 15 CO -0.00 -0.46 1.48 -1.48 -0.31 0.00 0.00 175.10 174.33 2e9j s LEU 16 N -3.37 4.35 0.63 1.32 0.05 -1.26 -4.98 118.68 115.43 2e9j s LEU 16 Ca 0.26 2.92 -0.16 0.00 0.05 0.00 0.00 54.13 57.20 2e9j s LEU 16 Cb 0.02 -3.65 -0.01 0.00 -2.05 0.00 0.00 46.19 40.49 2e9j s LEU 16 CO 0.09 -0.81 1.11 -2.16 -0.55 0.00 0.00 176.35 174.03 2e9j s PRO 17 N -1.44 2.93 0.18 1.48 0.04 -1.26 -4.97 135.00 131.97 2e9j s PRO 17 Ca 0.56 1.44 0.03 0.00 0.04 0.00 0.00 61.00 63.06 2e9j s PRO 17 Cb -0.45 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.18 2e9j s PRO 17 CO 0.55 -1.15 1.42 1.15 0.04 0.00 0.00 177.00 179.01 2e9j h THR 18 N 0.30 1.47 -4.28 1.26 2.02 -1.93 -3.45 112.91 108.29 2e9j h THR 18 Ca -0.47 -2.47 -0.52 0.00 0.77 0.00 0.00 66.41 63.72 2e9j h THR 18 Cb 1.25 2.35 0.16 0.00 -1.74 0.00 0.00 68.15 70.17 2e9j h THR 18 CO 0.55 0.72 0.29 -0.72 0.37 0.00 0.00 175.52 176.73 2e9j s TYR 19 N -3.34 2.19 -0.23 3.16 -0.85 -1.26 -4.71 117.35 112.31 2e9j s TYR 19 Ca -0.03 1.65 -0.03 0.00 -0.52 0.00 0.00 57.07 58.14 2e9j s TYR 19 Cb 0.11 -3.19 0.12 0.00 0.38 0.00 0.00 41.96 39.38 2e9j s TYR 19 CO 0.82 -2.22 0.35 -0.51 -1.52 0.00 0.00 175.55 172.47 2e9j s ASP 20 N -3.00 0.43 0.15 -0.18 1.01 0.12 -4.94 116.67 110.26 2e9j s ASP 20 Ca 0.64 0.20 -0.17 0.00 0.71 0.00 0.00 52.55 53.94 2e9j s ASP 20 Cb -0.20 0.98 0.01 0.00 1.01 0.00 0.00 42.92 44.72 2e9j s ASP 20 CO 0.55 -0.30 1.80 0.00 0.21 0.00 0.00 175.17 177.43 2e9j h ALA 21 N 8.21 0.45 -0.89 5.23 0.00 -1.82 -1.90 119.26 128.54 2e9j h ALA 21 Ca -0.19 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 54.95 2e9j h ALA 21 Cb 1.15 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2e9j h ALA 21 CO 0.26 -0.12 0.62 0.77 0.00 0.00 0.00 179.25 180.79 2e9j h SER 22 N 0.45 0.10 -0.25 0.00 0.02 -1.92 0.39 113.55 112.35 2e9j h SER 22 Ca 0.14 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.98 2e9j h SER 22 Cb -0.02 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.44 2e9j h SER 22 CO -0.05 0.04 0.15 0.29 -1.14 0.00 0.00 176.83 176.11 2e9j n LYS 23 N -4.34 1.46 -4.59 3.45 4.76 -0.71 -4.78 118.16 113.40 2e9j n LYS 23 Ca 0.19 -0.82 -0.33 0.00 -2.87 0.00 0.00 58.31 54.48 2e9j n LYS 23 Cb 0.89 -1.38 -0.15 0.00 -1.84 0.00 0.00 35.03 32.55 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 -0.99 2.79 0.14 -0.18 1.01 0.14 -3.71 120.40 119.60 2e9j s VAL 24 Ca 0.15 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.44 2e9j s VAL 24 Cb 0.13 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2e9j s VAL 24 CO 0.03 0.51 -0.11 0.42 0.00 0.00 0.00 175.10 175.96 2e9j s THR 25 N 0.70 1.17 0.02 3.92 -4.23 -1.23 -4.94 115.64 111.05 2e9j s THR 25 Ca -0.07 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.46 2e9j s THR 25 Cb -0.16 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.90 2e9j s THR 25 CO 0.02 -0.69 -0.04 0.00 -0.54 0.00 0.00 174.62 173.37 2e9j s ALA 26 N -3.11 0.22 -0.01 3.99 0.00 -1.26 -1.91 121.76 119.67 2e9j s ALA 26 Ca 0.15 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.48 2e9j s ALA 26 Cb 0.01 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.24 2e9j s ALA 26 CO 0.01 -0.09 0.23 -1.12 0.00 0.00 0.00 175.76 174.79 2e9j s SER 27 N -1.19 -0.09 0.00 0.00 0.01 -0.81 -4.99 113.70 106.62 2e9j s SER 27 Ca -0.11 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2e9j s SER 27 Cb -0.08 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.42 2e9j s SER 27 CO -0.01 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.85 2e9j n GLY 28 N 1.41 0.58 0.24 3.44 0.00 -1.26 -1.87 105.19 107.72 2e9j n GLY 28 Ca -0.22 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 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 6.08 0.71 -0.90 1.61 0.13 -1.98 -2.89 132.00 134.75 2e9j h PRO 29 Ca 0.00 -0.37 0.21 0.00 -0.87 0.00 0.00 66.00 64.97 2e9j h PRO 29 Cb 0.00 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.08 2e9j h PRO 29 CO 0.00 0.99 0.60 0.78 -0.23 0.00 0.00 178.00 180.14 2e9j h GLY 30 N 0.95 0.84 -1.92 1.56 0.00 -1.86 0.11 103.07 102.75 2e9j h GLY 30 Ca 0.05 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 2e9j h GLY 30 CO 0.09 -0.01 0.01 1.04 0.00 0.00 0.00 176.54 177.66 2e9j n LEU 31 N -4.50 4.16 -4.66 3.11 4.77 -1.18 -4.97 117.00 113.71 2e9j n LEU 31 Ca 0.19 -3.36 -0.42 0.00 -0.03 0.00 0.00 56.01 52.39 2e9j n LEU 31 Cb 0.71 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2e9j n LEU 31 CO 0.31 0.93 1.55 -0.55 -1.33 0.00 0.00 177.39 178.30 2e9j s SER 32 N -2.14 6.48 0.24 -1.43 0.15 0.39 -4.87 113.70 112.51 2e9j s SER 32 Ca 0.44 2.62 -0.04 0.00 0.70 0.00 0.00 55.95 59.67 2e9j s SER 32 Cb 0.38 -2.54 0.28 0.00 -1.71 0.00 0.00 66.02 62.43 2e9j s SER 32 CO 0.05 -1.03 1.77 -1.28 1.20 0.00 0.00 173.24 173.95 2e9j h SER 33 N 10.19 0.89 -0.43 5.45 0.87 -1.89 -2.49 113.55 126.14 2e9j h SER 33 Ca -0.48 -0.18 0.03 0.00 -1.23 0.00 0.00 61.79 59.93 2e9j h SER 33 Cb 1.23 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 2e9j h SER 33 CO 0.94 0.88 0.29 1.88 -0.53 0.00 0.00 176.83 180.29 2e9j h TYR 34 N 0.90 0.47 0.00 2.24 0.05 -1.96 -3.44 116.97 115.23 2e9j h TYR 34 Ca 0.19 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.98 2e9j h TYR 34 Cb 0.36 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.94 2e9j h TYR 34 CO 0.02 0.28 0.00 0.41 -1.05 0.00 0.00 178.16 177.82 2e9j n GLY 35 N -1.49 4.06 3.44 3.88 0.00 -0.94 -4.91 105.19 109.23 2e9j n GLY 35 Ca 0.04 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.28 2.60 -0.10 1.61 -7.23 -0.88 -4.81 120.40 109.32 2e9j s VAL 36 Ca 0.00 -1.54 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 2e9j s VAL 36 Cb 0.00 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 2e9j s VAL 36 CO 0.00 0.14 1.53 -2.16 -0.31 0.00 0.00 175.10 174.30 2e9j s PRO 37 N -1.98 4.17 0.99 4.82 0.04 -1.26 -0.59 135.00 141.19 2e9j s PRO 37 Ca 0.16 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 2e9j s PRO 37 Cb -0.10 -3.92 0.13 0.00 0.04 0.00 0.00 34.50 30.65 2e9j s PRO 37 CO 0.08 -0.83 0.78 0.00 0.04 0.00 0.00 177.00 177.07 2e9j n ALA 38 N 7.06 -2.03 -4.38 8.56 0.00 -0.96 -2.86 120.51 125.90 2e9j n ALA 38 Ca 0.16 -0.74 -0.37 0.00 0.00 0.00 0.00 53.44 52.49 2e9j n ALA 38 Cb 0.44 -1.98 -0.07 0.00 0.00 0.00 0.00 19.45 17.84 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 -3.20 -1.35 -3.70 0.00 2.88 -1.04 -4.92 113.62 102.29 2e9j n SER 39 Ca 0.08 -1.19 -0.17 0.00 -1.33 0.00 0.00 58.87 56.26 2e9j n SER 39 Cb 0.54 -1.96 -0.16 0.00 -0.75 0.00 0.00 64.21 61.88 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 -7.27 0.31 -0.54 2.46 1.98 -1.13 -5.04 118.68 109.45 2e9j s LEU 40 Ca 0.55 0.20 -0.27 0.00 -2.89 0.00 0.00 54.13 51.72 2e9j s LEU 40 Cb -0.32 0.10 -0.02 0.00 0.66 0.00 0.00 46.19 46.61 2e9j s LEU 40 CO 0.99 -0.21 1.82 -2.16 -1.89 0.00 0.00 176.35 174.90 2e9j s PRO 41 N 1.87 2.83 -0.00 0.98 0.04 -1.26 -4.47 135.00 134.99 2e9j s PRO 41 Ca -0.00 0.80 0.05 0.00 0.04 0.00 0.00 61.00 61.89 2e9j s PRO 41 Cb -0.12 -4.33 -0.03 0.00 0.04 0.00 0.00 34.50 30.06 2e9j s PRO 41 CO -0.04 -2.48 -0.14 0.54 0.04 0.00 0.00 177.00 174.92 2e9j s VAL 42 N 8.40 3.11 0.04 -0.36 0.11 -1.02 -4.91 120.40 125.77 2e9j s VAL 42 Ca 0.69 -0.91 0.03 0.00 -2.93 0.00 0.00 61.98 58.86 2e9j s VAL 42 Cb -0.15 -2.29 -0.02 0.00 -1.53 0.00 0.00 36.38 32.40 2e9j s VAL 42 CO 0.24 0.45 -0.08 1.51 -3.33 0.00 0.00 175.10 173.89 2e9j s ASP 43 N -1.17 0.94 0.42 3.54 1.47 -1.26 -1.46 116.67 119.16 2e9j s ASP 43 Ca 0.14 -0.49 0.03 0.00 1.18 0.00 0.00 52.55 53.42 2e9j s ASP 43 Cb -0.11 0.01 0.03 0.00 -0.34 0.00 0.00 42.92 42.51 2e9j s ASP 43 CO 0.04 -0.14 0.25 2.22 0.68 0.00 0.00 175.17 178.22 2e9j n PHE 44 N 1.68 -0.38 -4.09 2.11 -1.74 -1.11 -4.03 117.46 109.90 2e9j n PHE 44 Ca -0.21 -1.86 -0.25 0.00 -0.56 0.00 0.00 57.45 54.57 2e9j n PHE 44 Cb 0.55 -0.33 -0.17 0.00 1.52 0.00 0.00 39.48 41.05 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 -2.64 1.16 -0.55 1.98 0.00 -0.78 -3.24 121.76 117.69 2e9j s ALA 45 Ca 0.19 -0.41 -0.18 0.00 0.00 0.00 0.00 51.96 51.56 2e9j s ALA 45 Cb -0.01 -0.75 0.09 0.00 0.00 0.00 0.00 23.12 22.45 2e9j s ALA 45 CO 0.12 -0.24 0.63 0.42 0.00 0.00 0.00 175.76 176.69 2e9j s ILE 46 N 1.38 4.91 -0.29 0.00 1.01 0.68 -1.92 121.20 126.98 2e9j s ILE 46 Ca -0.02 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.57 2e9j s ILE 46 Cb -0.14 -4.39 -0.03 0.00 0.01 0.00 0.00 42.46 37.91 2e9j s ILE 46 CO -0.04 -0.97 0.35 1.51 0.00 0.00 0.00 174.94 175.80 2e9j s ASP 47 N 3.28 6.20 -0.18 3.58 -4.77 -0.80 -2.56 116.67 121.42 2e9j s ASP 47 Ca 0.11 0.10 -0.03 0.00 -3.30 0.00 0.00 52.55 49.43 2e9j s ASP 47 Cb -0.23 -2.20 -0.02 0.00 -1.09 0.00 0.00 42.92 39.38 2e9j s ASP 47 CO 0.07 -0.22 -0.06 0.00 0.70 0.00 0.00 175.17 175.67 2e9j s ALA 48 N 2.03 2.84 -0.20 2.11 0.00 -1.26 -3.53 121.76 123.76 2e9j s ALA 48 Ca 0.13 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 50.95 2e9j s ALA 48 Cb -0.16 -1.55 -0.09 0.00 0.00 0.00 0.00 23.12 21.32 2e9j s ALA 48 CO 0.11 -0.06 -0.19 0.54 0.00 0.00 0.00 175.76 176.16 2e9j n ARG 49 N 4.08 0.53 -1.00 0.00 5.12 -1.26 -4.66 116.66 119.46 2e9j n ARG 49 Ca -0.18 0.39 -0.00 0.00 -1.93 0.00 0.00 57.85 56.13 2e9j n ARG 49 Cb 0.52 -1.58 0.15 0.00 -1.16 0.00 0.00 32.46 30.39 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 -4.46 2.27 0.05 0.55 8.00 -1.26 -4.67 116.55 117.04 2e9j n ASP 50 Ca -0.24 -3.68 0.09 0.00 0.71 0.00 0.00 54.79 51.67 2e9j n ASP 50 Cb 0.56 -0.47 -0.07 0.00 -0.02 0.00 0.00 41.12 41.11 2e9j n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9j n ALA 51 N -0.90 2.51 -0.64 2.24 0.00 -1.24 -4.21 120.51 118.27 2e9j n ALA 51 Ca 0.23 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2e9j n ALA 51 Cb 0.78 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 1.25 1.42 3.41 0.00 0.00 -1.26 0.14 105.19 110.15 2e9j n GLY 52 Ca -0.04 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 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 2.04 -0.19 1.61 2.12 -1.26 -4.92 118.70 118.10 2e9j s GLU 53 Ca 0.00 -0.99 -0.31 0.00 0.36 0.00 0.00 54.97 54.03 2e9j s GLU 53 Cb 0.00 -2.12 0.15 0.00 0.26 0.00 0.00 34.13 32.41 2e9j s GLU 53 CO 0.00 0.54 1.16 0.20 -0.54 0.00 0.00 175.26 176.62 2e9j s GLY 54 N -1.20 -0.20 -0.34 -1.50 0.00 -1.26 -4.51 107.32 98.32 2e9j s GLY 54 Ca 0.13 2.01 -0.34 0.00 0.00 0.00 0.00 44.72 46.52 2e9j s GLY 54 CO 0.03 0.82 2.21 -0.10 0.00 0.00 0.00 173.10 176.06 2e9j n LEU 55 N 0.30 2.30 -4.78 0.66 7.94 -1.26 -4.36 117.00 117.81 2e9j n LEU 55 Ca -0.04 0.34 -0.38 0.00 -1.11 0.00 0.00 56.01 54.82 2e9j n LEU 55 Cb 0.59 -1.32 -0.06 0.00 0.53 0.00 0.00 43.42 43.16 2e9j n LEU 55 CO 0.11 -0.75 0.21 -0.22 -1.11 0.00 0.00 177.39 175.62 2e9j s LEU 56 N 7.68 4.42 0.03 -1.96 2.96 -1.26 -0.68 118.68 129.88 2e9j s LEU 56 Ca 1.08 1.04 0.03 0.00 -0.22 0.00 0.00 54.13 56.07 2e9j s LEU 56 Cb -0.75 -2.77 -0.02 0.00 0.50 0.00 0.00 46.19 43.15 2e9j s LEU 56 CO 0.46 0.17 -0.09 0.00 -1.32 0.00 0.00 176.35 175.56 2e9j s ALA 57 N -0.41 0.75 -0.16 5.97 0.00 -1.04 -5.02 121.76 121.84 2e9j s ALA 57 Ca 0.27 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.55 2e9j s ALA 57 Cb -0.17 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.91 2e9j s ALA 57 CO 0.15 0.08 -0.16 0.08 0.00 0.00 0.00 175.76 175.92 2e9j s VAL 58 N -0.97 1.73 -0.28 0.00 1.01 -1.26 -3.05 120.40 117.58 2e9j s VAL 58 Ca -0.04 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2e9j s VAL 58 Cb -0.08 -1.61 0.06 0.00 0.00 0.00 0.00 36.38 34.75 2e9j s VAL 58 CO 0.01 0.46 -0.05 -1.10 0.00 0.00 0.00 175.10 174.42 2e9j s GLN 59 N 1.42 2.25 -0.09 2.72 1.11 -1.20 -5.02 119.66 120.85 2e9j s GLN 59 Ca 0.05 -1.37 0.02 0.00 0.01 0.00 0.00 55.36 54.07 2e9j s GLN 59 Cb -0.13 -3.03 -0.02 0.00 -1.01 0.00 0.00 33.01 28.82 2e9j s GLN 59 CO -0.11 -0.63 -0.16 0.42 0.01 0.00 0.00 175.29 174.82 2e9j s ILE 60 N 1.14 2.79 0.23 1.08 1.01 -1.26 -0.68 121.20 125.51 2e9j s ILE 60 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2e9j s ILE 60 Cb -0.20 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 2e9j s ILE 60 CO -0.04 0.56 0.12 0.42 0.00 0.00 0.00 174.94 175.99 2e9j s THR 61 N -0.06 0.25 0.48 2.92 -4.23 -0.91 -3.62 115.64 110.47 2e9j s THR 61 Ca -0.04 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.55 2e9j s THR 61 Cb -0.14 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.17 2e9j s THR 61 CO 0.04 0.00 0.55 -0.62 -0.54 0.00 0.00 174.62 174.05 2e9j s ASP 62 N -3.23 5.16 0.30 3.99 2.15 -0.89 -2.76 116.67 121.39 2e9j s ASP 62 Ca 0.38 -0.77 0.04 0.00 0.43 0.00 0.00 52.55 52.64 2e9j s ASP 62 Cb 0.07 -0.19 0.77 0.00 -0.30 0.00 0.00 42.92 43.27 2e9j s ASP 62 CO 0.13 -0.95 1.63 0.06 -0.17 0.00 0.00 175.17 175.87 2e9j h GLN 63 N 0.64 0.17 0.00 4.34 3.07 -1.85 0.77 115.11 122.25 2e9j h GLN 63 Ca -0.37 -0.01 -0.10 0.00 0.09 0.00 0.00 58.65 58.26 2e9j h GLN 63 Cb 1.28 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.79 2e9j h GLN 63 CO 0.49 0.11 -0.60 1.49 0.09 0.00 0.00 178.83 180.42 2e9j h GLU 64 N 0.17 0.00 0.00 0.06 4.57 -1.94 -3.48 114.58 113.96 2e9j h GLU 64 Ca 0.58 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.76 2e9j h GLU 64 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2e9j h GLU 64 CO -0.70 0.41 0.00 0.41 -1.18 0.00 0.00 179.01 177.96 2e9j n GLY 65 N 1.24 0.92 3.91 1.92 0.00 0.27 -5.13 105.19 108.32 2e9j n GLY 65 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 0.16 3.52 0.29 1.61 1.02 -1.26 -4.68 119.74 120.41 2e9j s LYS 66 Ca 0.00 -0.28 -0.29 0.00 0.02 0.00 0.00 55.97 55.42 2e9j s LYS 66 Cb 0.00 -2.94 -0.10 0.00 -0.52 0.00 0.00 37.83 34.27 2e9j s LYS 66 CO 0.00 0.54 1.24 -1.25 -0.92 0.00 0.00 175.35 174.96 2e9j s PRO 67 N -2.61 4.45 0.21 -1.68 0.04 -1.26 -2.10 135.00 132.04 2e9j s PRO 67 Ca 0.38 2.06 0.09 0.00 0.04 0.00 0.00 61.00 63.57 2e9j s PRO 67 Cb -0.12 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 2e9j s PRO 67 CO 0.26 -0.08 -0.18 0.15 0.04 0.00 0.00 177.00 177.20 2e9j s LYS 68 N -1.36 1.41 -0.21 4.56 -0.14 -1.24 -4.96 119.74 117.81 2e9j s LYS 68 Ca 0.49 -1.56 -0.29 0.00 -1.36 0.00 0.00 55.97 53.25 2e9j s LYS 68 Cb -0.37 -1.43 0.01 0.00 -1.68 0.00 0.00 37.83 34.36 2e9j s LYS 68 CO 0.46 0.27 1.05 0.50 -0.76 0.00 0.00 175.35 176.88 2e9j s ARG 69 N -3.20 4.28 -0.03 1.68 3.52 -1.26 -4.89 118.95 119.05 2e9j s ARG 69 Ca 0.22 1.38 0.06 0.00 -0.13 0.00 0.00 55.73 57.26 2e9j s ARG 69 Cb -0.04 -3.63 -0.01 0.00 -1.56 0.00 0.00 34.95 29.70 2e9j s ARG 69 CO 0.09 -0.59 -0.20 0.00 -0.81 0.00 0.00 175.30 173.78 2e9j s ALA 70 N 3.06 1.73 0.06 6.12 0.00 -1.26 -4.17 121.76 127.29 2e9j s ALA 70 Ca 0.45 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.57 2e9j s ALA 70 Cb -0.16 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 2e9j s ALA 70 CO 0.08 0.39 0.05 0.42 0.00 0.00 0.00 175.76 176.70 2e9j s ILE 71 N -0.35 4.40 -0.15 0.00 1.01 -0.29 -5.01 121.20 120.80 2e9j s ILE 71 Ca 0.04 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.96 2e9j s ILE 71 Cb -0.09 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2e9j s ILE 71 CO 0.00 0.18 -0.18 0.54 0.00 0.00 0.00 174.94 175.49 2e9j s VAL 72 N -1.31 2.43 -0.11 2.92 0.11 -1.26 -2.90 120.40 120.29 2e9j s VAL 72 Ca 0.26 -0.86 0.02 0.00 -2.93 0.00 0.00 61.98 58.48 2e9j s VAL 72 Cb -0.12 -2.00 -0.01 0.00 -1.53 0.00 0.00 36.38 32.72 2e9j s VAL 72 CO 0.19 0.53 -0.19 -1.00 -3.33 0.00 0.00 175.10 171.29 2e9j s HIS 73 N 0.77 2.66 -0.26 1.54 3.76 -0.91 -5.03 115.29 117.82 2e9j s HIS 73 Ca -0.07 -0.84 -0.09 0.00 -0.15 0.00 0.00 55.06 53.90 2e9j s HIS 73 Cb -0.16 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 2e9j s HIS 73 CO 0.00 -0.31 0.13 0.16 -0.85 0.00 0.00 174.74 173.88 2e9j s ASP 74 N 0.28 5.70 -0.19 1.40 -4.77 -1.26 -3.23 116.67 114.60 2e9j s ASP 74 Ca -0.14 -0.05 0.14 0.00 -3.30 0.00 0.00 52.55 49.20 2e9j s ASP 74 Cb -0.17 -2.04 -0.22 0.00 -1.09 0.00 0.00 42.92 39.41 2e9j s ASP 74 CO 0.07 -0.01 0.02 0.59 0.70 0.00 0.00 175.17 176.54 2e9j n ASN 75 N 4.77 0.74 -2.40 2.11 3.02 -1.26 -4.99 115.26 117.25 2e9j n ASN 75 Ca -0.15 -0.02 -0.19 0.00 -0.03 0.00 0.00 54.58 54.19 2e9j n ASN 75 Cb 0.52 0.74 -0.01 0.00 -0.61 0.00 0.00 39.78 40.42 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 -2.76 -1.82 -0.74 3.52 4.76 -1.26 -4.85 118.16 115.01 2e9j n LYS 76 Ca -0.32 0.91 0.06 0.00 -2.87 0.00 0.00 58.31 56.09 2e9j n LYS 76 Cb 1.07 -5.56 0.16 0.00 -1.84 0.00 0.00 35.03 28.87 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 -1.95 1.58 0.00 4.39 2.03 -1.26 -4.93 116.55 116.40 2e9j n ASP 77 Ca -0.22 -3.40 0.00 0.00 0.52 0.00 0.00 54.79 51.68 2e9j n ASP 77 Cb 0.67 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 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 -0.79 0.45 3.57 0.27 0.00 -1.26 -5.03 105.19 102.39 2e9j n GLY 78 Ca 0.16 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.00 0.00 -0.17 2.61 -4.23 -1.26 -4.02 115.64 106.57 2e9j s THR 79 Ca 0.00 -1.46 -0.10 0.00 -1.18 0.00 0.00 61.69 58.95 2e9j s THR 79 Cb 0.00 -2.66 0.06 0.00 1.34 0.00 0.00 72.50 71.24 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 -2.96 -0.60 0.05 3.99 2.02 -1.06 -4.37 117.35 114.43 2e9j s TYR 80 Ca 0.27 1.29 0.04 0.00 -0.37 0.00 0.00 57.07 58.29 2e9j s TYR 80 Cb -0.01 0.26 -0.04 0.00 -0.40 0.00 0.00 41.96 41.77 2e9j s TYR 80 CO 0.18 -0.33 -0.02 0.00 -1.57 0.00 0.00 175.55 173.81 2e9j s ALA 81 N 1.26 3.22 -0.10 3.71 0.00 -1.20 -0.23 121.76 128.43 2e9j s ALA 81 Ca -0.08 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 2e9j s ALA 81 Cb -0.08 -1.20 0.05 0.00 0.00 0.00 0.00 23.12 21.89 2e9j s ALA 81 CO -0.11 0.67 0.12 0.08 0.00 0.00 0.00 175.76 176.52 2e9j s VAL 82 N -1.19 -0.19 -0.02 0.00 1.01 -1.20 -2.14 120.40 116.68 2e9j s VAL 82 Ca 0.22 0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.39 2e9j s VAL 82 Cb -0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2e9j s VAL 82 CO 0.14 0.05 0.23 -0.89 0.00 0.00 0.00 175.10 174.63 2e9j s THR 83 N 2.23 5.36 -0.15 3.92 2.01 -1.14 -2.75 115.64 125.13 2e9j s THR 83 Ca 0.04 0.09 -0.12 0.00 0.31 0.00 0.00 61.69 62.02 2e9j s THR 83 Cb -0.13 -3.54 0.04 0.00 0.01 0.00 0.00 72.50 68.88 2e9j s THR 83 CO -0.06 0.39 0.38 -0.72 -0.69 0.00 0.00 174.62 173.92 2e9j s TYR 84 N -1.26 -0.46 -0.40 4.92 -0.85 -0.53 -1.14 117.35 117.62 2e9j s TYR 84 Ca 0.26 1.07 -0.02 0.00 -0.52 0.00 0.00 57.07 57.86 2e9j s TYR 84 Cb -0.13 0.17 0.11 0.00 0.38 0.00 0.00 41.96 42.49 2e9j s TYR 84 CO 0.15 -0.24 0.18 0.42 -1.52 0.00 0.00 175.55 174.55 2e9j s ILE 85 N 0.57 3.20 -0.46 -3.49 1.01 -1.26 -2.43 121.20 118.34 2e9j s ILE 85 Ca -0.03 -2.05 -0.28 0.00 0.00 0.00 0.00 60.65 58.30 2e9j s ILE 85 Cb -0.05 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 2e9j s ILE 85 CO -0.03 -0.66 1.77 -2.16 0.00 0.00 0.00 174.94 173.86 2e9j s PRO 86 N 1.13 3.07 -0.08 2.79 0.04 -1.26 -4.86 135.00 135.83 2e9j s PRO 86 Ca 0.08 1.02 -0.16 0.00 0.04 0.00 0.00 61.00 61.98 2e9j s PRO 86 Cb -0.22 -4.25 -0.12 0.00 0.04 0.00 0.00 34.50 29.94 2e9j s PRO 86 CO -0.04 -2.18 0.58 0.22 0.04 0.00 0.00 177.00 175.61 2e9j h ASP 87 N 13.44 -0.13 -4.27 6.66 1.82 -1.98 -2.76 116.42 129.20 2e9j h ASP 87 Ca -0.30 -0.32 -0.46 0.00 -0.39 0.00 0.00 57.03 55.56 2e9j h ASP 87 Cb 1.16 0.03 0.13 0.00 0.68 0.00 0.00 39.33 41.33 2e9j h ASP 87 CO 1.12 0.47 0.31 -0.54 -1.61 0.00 0.00 179.24 178.99 2e9j s LYS 88 N -2.66 1.18 -0.02 0.28 -0.14 -1.26 -4.70 119.74 112.42 2e9j s LYS 88 Ca -0.10 0.23 0.06 0.00 -1.36 0.00 0.00 55.97 54.81 2e9j s LYS 88 Cb -0.00 -1.85 -0.02 0.00 -1.68 0.00 0.00 37.83 34.27 2e9j s LYS 88 CO 0.35 -2.16 -0.21 0.95 -0.76 0.00 0.00 175.35 173.52 2e9j s THR 89 N -3.33 2.47 0.00 2.17 -4.23 -1.26 -4.90 115.64 106.56 2e9j s THR 89 Ca 0.64 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 2e9j s THR 89 Cb -0.14 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.78 2e9j s THR 89 CO 0.53 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.77 2e9j n GLY 90 N 2.28 0.30 3.58 3.99 0.00 -1.26 -5.03 105.19 109.05 2e9j n GLY 90 Ca -0.16 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 2.24 -0.01 1.61 1.70 -1.26 -1.98 118.95 121.25 2e9j s ARG 91 Ca 0.00 -0.95 0.04 0.00 -0.47 0.00 0.00 55.73 54.36 2e9j s ARG 91 Cb 0.00 -2.36 -0.01 0.00 -0.57 0.00 0.00 34.95 32.01 2e9j s ARG 91 CO 0.00 0.53 -0.14 0.71 -1.08 0.00 0.00 175.30 175.32 2e9j s TYR 92 N -1.16 1.27 -0.23 5.89 2.02 -0.49 -2.41 117.35 122.24 2e9j s TYR 92 Ca 0.21 -0.24 -0.02 0.00 -0.37 0.00 0.00 57.07 56.65 2e9j s TYR 92 Cb -0.11 -0.82 0.02 0.00 -0.40 0.00 0.00 41.96 40.65 2e9j s TYR 92 CO 0.12 -0.02 -0.09 1.41 -1.57 0.00 0.00 175.55 175.40 2e9j s MET 93 N -0.33 3.00 -0.25 -0.62 -2.45 -1.11 -2.56 119.30 114.98 2e9j s MET 93 Ca 0.05 -0.86 -0.05 0.00 -1.25 0.00 0.00 55.69 53.59 2e9j s MET 93 Cb -0.05 -2.90 -0.00 0.00 1.25 0.00 0.00 34.83 33.12 2e9j s MET 93 CO -0.01 -0.31 0.00 0.42 1.05 0.00 0.00 175.02 176.18 2e9j s ILE 94 N 1.35 3.57 -0.67 10.11 1.01 -1.12 -2.13 121.20 133.32 2e9j s ILE 94 Ca 0.03 -0.59 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 2e9j s ILE 94 Cb -0.15 -2.71 0.17 0.00 0.01 0.00 0.00 42.46 39.78 2e9j s ILE 94 CO -0.06 0.29 0.53 -0.83 0.00 0.00 0.00 174.94 174.87 2e9j s GLY 95 N 1.48 2.48 0.36 6.18 0.00 0.15 -1.72 107.32 116.25 2e9j s GLY 95 Ca 0.04 -3.17 -0.25 0.00 0.00 0.00 0.00 44.72 41.35 2e9j s GLY 95 CO -0.01 1.15 0.97 0.14 0.00 0.00 0.00 173.10 175.35 2e9j s VAL 96 N 0.23 4.13 -0.02 1.40 1.01 -1.26 -3.23 120.40 122.67 2e9j s VAL 96 Ca 0.15 1.65 -0.06 0.00 0.00 0.00 0.00 61.98 63.73 2e9j s VAL 96 Cb -0.18 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.34 2e9j s VAL 96 CO -0.05 0.03 0.14 0.42 0.00 0.00 0.00 175.10 175.64 2e9j s THR 97 N -1.72 0.05 -0.16 3.92 -4.23 -1.17 -3.71 115.64 108.62 2e9j s THR 97 Ca 0.54 -0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 60.60 2e9j s THR 97 Cb -0.18 -0.34 0.05 0.00 1.34 0.00 0.00 72.50 73.37 2e9j s THR 97 CO 0.23 -0.24 -0.01 -0.47 -0.54 0.00 0.00 174.62 173.59 2e9j s TYR 98 N -0.82 1.22 -0.82 3.99 5.04 0.35 -2.50 117.35 123.82 2e9j s TYR 98 Ca -0.09 -0.80 -0.03 0.00 -2.44 0.00 0.00 57.07 53.71 2e9j s TYR 98 Cb -0.05 -1.09 0.00 0.00 0.35 0.00 0.00 41.96 41.17 2e9j s TYR 98 CO 0.01 -0.55 0.70 0.41 -1.34 0.00 0.00 175.55 174.78 2e9j n GLY 99 N 5.00 -0.05 2.87 8.97 0.00 0.15 -3.07 105.19 119.06 2e9j n GLY 99 Ca -0.10 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.26 -0.36 3.07 -0.02 0.00 -1.26 -4.91 105.19 100.45 2e9j n GLY 100 Ca -0.10 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 2e9j n GLY 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e9j s ASP 101 N -2.77 0.02 -0.16 1.61 -1.08 -1.17 -5.15 116.67 107.96 2e9j s ASP 101 Ca 0.28 -0.13 -0.10 0.00 -0.52 0.00 0.00 52.55 52.07 2e9j s ASP 101 Cb -0.12 0.21 -0.05 0.00 -1.46 0.00 0.00 42.92 41.50 2e9j s ASP 101 CO 0.34 -0.28 0.18 1.51 0.52 0.00 0.00 175.17 177.44 2e9j s ASP 102 N -1.04 6.34 0.53 -0.34 -4.77 -1.26 -0.49 116.67 115.63 2e9j s ASP 102 Ca -0.11 0.39 -0.19 0.00 -3.30 0.00 0.00 52.55 49.33 2e9j s ASP 102 Cb -0.06 -2.11 -0.06 0.00 -1.09 0.00 0.00 42.92 39.59 2e9j s ASP 102 CO 0.01 0.23 1.09 0.27 0.70 0.00 0.00 175.17 177.47 2e9j s ILE 103 N -0.04 3.42 -2.00 2.11 -4.36 -1.24 -4.77 121.20 114.32 2e9j s ILE 103 Ca 0.12 0.86 0.10 0.00 -0.26 0.00 0.00 60.65 61.48 2e9j s ILE 103 Cb -0.12 -3.34 0.29 0.00 1.25 0.00 0.00 42.46 40.54 2e9j s ILE 103 CO 0.02 -0.21 1.05 -0.81 0.24 0.00 0.00 174.94 175.22 2e9j n PRO 104 N -1.28 0.48 -0.10 0.37 -0.04 -1.26 -2.31 135.00 130.87 2e9j n PRO 104 Ca 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 2e9j n PRO 104 Cb 0.52 -1.33 -0.15 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.83 0.40 -4.88 1.53 4.77 -1.26 -4.98 117.00 111.75 2e9j n LEU 105 Ca 0.08 0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.78 2e9j n LEU 105 Cb 0.04 0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 2e9j n LEU 105 CO 0.06 0.54 0.67 -0.44 -1.33 0.00 0.00 177.39 176.88 2e9j s SER 106 N -5.66 6.09 1.23 -1.43 0.01 -0.98 -4.55 113.70 108.42 2e9j s SER 106 Ca -0.12 1.26 -0.19 0.00 1.31 0.00 0.00 55.95 58.20 2e9j s SER 106 Cb 0.06 -2.32 0.28 0.00 0.21 0.00 0.00 66.02 64.26 2e9j s SER 106 CO 0.81 -0.90 1.01 -0.81 0.41 0.00 0.00 173.24 173.76 2e9j n PRO 107 N -2.69 -3.01 -5.19 12.44 -0.04 -1.26 -4.90 135.00 130.35 2e9j n PRO 107 Ca 0.05 -1.62 -0.32 0.00 -0.04 0.00 0.00 63.50 61.57 2e9j n PRO 107 Cb 0.55 -1.52 -0.17 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.83 2.57 -0.27 0.54 1.51 -0.70 -4.94 117.35 113.23 2e9j s TYR 108 Ca 0.66 -1.01 -0.12 0.00 -1.01 0.00 0.00 57.07 55.59 2e9j s TYR 108 Cb -0.06 -1.72 -0.05 0.00 -0.11 0.00 0.00 41.96 40.02 2e9j s TYR 108 CO 0.50 -0.40 0.25 1.03 -1.11 0.00 0.00 175.55 175.83 2e9j s ARG 109 N 0.32 3.98 0.08 -0.62 0.52 -1.26 -2.80 118.95 119.18 2e9j s ARG 109 Ca -0.18 -0.19 0.03 0.00 -0.52 0.00 0.00 55.73 54.87 2e9j s ARG 109 Cb -0.18 -3.65 -0.03 0.00 0.52 0.00 0.00 34.95 31.61 2e9j s ARG 109 CO 0.09 -0.20 -0.09 0.42 0.02 0.00 0.00 175.30 175.54 2e9j s ILE 110 N 1.82 0.79 -0.13 1.52 1.01 -1.06 -4.85 121.20 120.29 2e9j s ILE 110 Ca 0.10 -1.58 -0.01 0.00 0.00 0.00 0.00 60.65 59.16 2e9j s ILE 110 Cb -0.16 -1.26 0.03 0.00 0.01 0.00 0.00 42.46 41.08 2e9j s ILE 110 CO 0.10 -0.59 -0.06 -0.13 0.00 0.00 0.00 174.94 174.26 2e9j s ARG 111 N -2.75 1.43 -0.78 2.79 0.52 -1.26 -1.39 118.95 117.50 2e9j s ARG 111 Ca 0.03 -0.34 -0.26 0.00 -0.52 0.00 0.00 55.73 54.64 2e9j s ARG 111 Cb -0.03 -1.73 0.04 0.00 0.52 0.00 0.00 34.95 33.75 2e9j s ARG 111 CO -0.01 -0.34 1.28 0.00 0.02 0.00 0.00 175.30 176.25 2e9j s ALA 112 N 1.70 2.77 -0.25 2.13 0.00 -0.84 -2.07 121.76 125.20 2e9j s ALA 112 Ca 0.03 -1.54 -0.29 0.00 0.00 0.00 0.00 51.96 50.17 2e9j s ALA 112 Cb -0.14 -4.27 -0.03 0.00 0.00 0.00 0.00 23.12 18.68 2e9j s ALA 112 CO -0.08 -3.30 1.88 0.95 0.00 0.00 0.00 175.76 175.21 2e9j s THR 113 N 5.51 3.37 1.01 0.00 -4.23 0.24 -4.11 115.64 117.43 2e9j s THR 113 Ca 0.36 0.39 -0.12 0.00 -1.18 0.00 0.00 61.69 61.14 2e9j s THR 113 Cb -0.07 -3.45 0.19 0.00 1.34 0.00 0.00 72.50 70.51 2e9j s THR 113 CO 0.11 -0.25 1.09 0.00 -0.54 0.00 0.00 174.62 175.04 2e9j s GLN 114 N 5.52 0.34 -0.19 3.99 -2.07 -1.26 -2.26 119.66 123.74 2e9j s GLN 114 Ca 0.84 0.48 -0.30 0.00 -1.82 0.00 0.00 55.36 54.56 2e9j s GLN 114 Cb -0.27 -1.73 0.14 0.00 -1.09 0.00 0.00 33.01 30.06 2e9j s GLN 114 CO 0.34 -2.78 1.07 -0.08 -1.32 0.00 0.00 175.29 172.51 2e9j s THR 115 N -2.98 0.00 -0.45 3.63 -1.32 -1.26 -4.88 115.64 108.38 2e9j s THR 115 Ca 0.65 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 61.02 2e9j s THR 115 Cb -0.19 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 69.88 2e9j s THR 115 CO 0.58 0.00 0.32 -0.83 -2.21 0.00 0.00 174.62 172.48 2e9j s GLY 116 N -1.04 2.01 -0.30 6.08 0.00 -1.26 -5.03 107.32 107.77 2e9j s GLY 116 Ca 0.00 -2.17 0.02 0.00 0.00 0.00 0.00 44.72 42.58 2e9j s GLY 116 CO -0.00 1.02 0.02 -0.35 0.00 0.00 0.00 173.10 173.78 2e9j s ASP 117 N 2.38 4.35 -0.29 1.64 -1.08 -1.26 -5.07 116.67 117.34 2e9j s ASP 117 Ca 0.04 -1.73 -0.17 0.00 -0.52 0.00 0.00 52.55 50.17 2e9j s ASP 117 Cb -0.24 -1.35 0.12 0.00 -1.46 0.00 0.00 42.92 40.00 2e9j s ASP 117 CO 0.04 -0.33 0.88 0.00 0.52 0.00 0.00 175.17 176.28 2e9j s ALA 118 N 1.20 -2.13 -2.11 3.66 0.00 -1.26 -5.28 121.76 115.84 2e9j s ALA 118 Ca 0.05 2.26 0.31 0.00 0.00 0.00 0.00 51.96 54.57 2e9j s ALA 118 Cb -0.19 -1.60 1.72 0.00 0.00 0.00 0.00 23.12 23.05 2e9j s ALA 118 CO -0.11 -0.35 2.12 0.45 0.00 0.00 0.00 175.76 177.87