#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 -0.46 0.14 1.61 0.01 -1.26 -5.18 113.70 108.56 2e9j s SER 2 Ca 0.00 0.74 -0.24 0.00 1.31 0.00 0.00 55.95 57.76 2e9j s SER 2 Cb 0.00 1.18 0.08 0.00 0.21 0.00 0.00 66.02 67.49 2e9j s SER 2 CO 0.00 -0.12 1.06 -0.94 0.41 0.00 0.00 173.24 173.65 2e9j s SER 3 N 1.28 -0.05 0.00 2.44 1.04 -1.26 -5.19 113.70 111.97 2e9j s SER 3 Ca -0.09 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2e9j s SER 3 Cb -0.04 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2e9j s SER 3 CO -0.14 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.83 2e9j n GLY 4 N -0.64 2.30 3.15 7.32 0.00 -1.26 -5.15 105.19 110.91 2e9j n GLY 4 Ca -0.04 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 -0.58 0.10 1.61 0.01 -1.26 -5.18 113.70 108.40 2e9j s SER 5 Ca 0.00 0.25 -0.12 0.00 1.31 0.00 0.00 55.95 57.40 2e9j s SER 5 Cb 0.00 1.44 0.01 0.00 0.21 0.00 0.00 66.02 67.68 2e9j s SER 5 CO 0.00 -0.11 0.27 -0.94 0.41 0.00 0.00 173.24 172.88 2e9j s SER 6 N 2.94 -0.03 0.00 2.44 1.04 -1.26 -5.10 113.70 113.74 2e9j s SER 6 Ca 0.09 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2e9j s SER 6 Cb -0.08 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2e9j s SER 6 CO -0.16 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2e9j n GLY 7 N -0.04 -1.22 3.20 7.32 0.00 -1.26 -5.18 105.19 108.01 2e9j n GLY 7 Ca -0.16 0.42 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.35 -0.44 1.61 0.52 -1.26 -5.11 118.95 114.62 2e9j s ARG 8 Ca 0.00 0.56 0.02 0.00 -0.52 0.00 0.00 55.73 55.79 2e9j s ARG 8 Cb 0.00 0.07 0.15 0.00 0.52 0.00 0.00 34.95 35.69 2e9j s ARG 8 CO 0.00 -0.10 0.29 -1.54 0.02 0.00 0.00 175.30 173.97 2e9j s SER 9 N 0.73 2.92 0.98 0.23 1.04 -1.26 -5.13 113.70 113.21 2e9j s SER 9 Ca -0.05 -2.78 -0.12 0.00 0.48 0.00 0.00 55.95 53.48 2e9j s SER 9 Cb -0.06 -0.75 0.18 0.00 0.10 0.00 0.00 66.02 65.49 2e9j s SER 9 CO -0.05 -0.23 1.09 -2.16 0.98 0.00 0.00 173.24 172.88 2e9j s PRO 10 N 0.25 0.61 -0.30 4.02 0.04 -1.26 -5.08 135.00 133.28 2e9j s PRO 10 Ca 0.23 0.59 -0.11 0.00 0.04 0.00 0.00 61.00 61.76 2e9j s PRO 10 Cb -0.13 -1.75 0.12 0.00 0.04 0.00 0.00 34.50 32.78 2e9j s PRO 10 CO -0.08 -2.63 0.67 -0.59 0.04 0.00 0.00 177.00 174.41 2e9j s PHE 11 N -2.95 -1.29 -0.08 0.56 -0.71 -1.26 -5.17 117.98 107.08 2e9j s PHE 11 Ca 0.65 2.27 -0.32 0.00 -1.04 0.00 0.00 56.93 58.49 2e9j s PHE 11 Cb -0.18 0.77 0.12 0.00 -1.21 0.00 0.00 43.02 42.51 2e9j s PHE 11 CO 0.57 -0.64 1.11 -1.59 -1.34 0.00 0.00 175.22 173.33 2e9j s LYS 12 N 2.71 0.55 -0.45 1.99 0.00 -1.26 -5.11 119.74 118.17 2e9j s LYS 12 Ca -0.06 -0.23 -0.41 0.00 0.00 0.00 0.00 55.97 55.26 2e9j s LYS 12 Cb -0.11 0.23 -0.18 0.00 0.00 0.00 0.00 37.83 37.78 2e9j s LYS 12 CO -0.19 -0.24 1.57 1.33 0.00 0.00 0.00 175.35 177.82 2e9j n VAL 13 N -0.23 0.00 -2.15 1.79 0.24 -1.26 -4.79 118.33 111.93 2e9j n VAL 13 Ca -0.04 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.83 2e9j n VAL 13 Cb 0.60 -0.45 -0.02 0.00 -1.47 0.00 0.00 33.84 32.50 2e9j n VAL 13 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2e9j s LYS 14 N 3.46 3.81 0.06 7.34 -2.85 -1.26 -4.99 119.74 125.31 2e9j s LYS 14 Ca 0.98 1.60 0.04 0.00 -1.00 0.00 0.00 55.97 57.60 2e9j s LYS 14 Cb -1.34 -4.01 -0.03 0.00 -2.06 0.00 0.00 37.83 30.38 2e9j s LYS 14 CO 0.69 -1.27 -0.12 0.14 0.10 0.00 0.00 175.35 174.89 2e9j s VAL 15 N 5.09 0.93 0.45 1.79 -7.23 -1.26 -5.13 120.40 115.04 2e9j s VAL 15 Ca 0.69 -1.23 -0.23 0.00 -1.81 0.00 0.00 61.98 59.40 2e9j s VAL 15 Cb -0.24 -0.92 -0.11 0.00 0.56 0.00 0.00 36.38 35.67 2e9j s VAL 15 CO 0.28 -0.28 0.80 0.18 -0.31 0.00 0.00 175.10 175.77 2e9j n LEU 16 N 1.34 1.59 -4.77 1.32 4.32 -1.26 -4.94 117.00 114.59 2e9j n LEU 16 Ca -0.22 0.95 -0.32 0.00 -0.02 0.00 0.00 56.01 56.40 2e9j n LEU 16 Cb 0.54 -1.25 0.07 0.00 -1.62 0.00 0.00 43.42 41.16 2e9j n LEU 16 CO 0.21 -2.16 0.72 -2.16 -1.22 0.00 0.00 177.39 172.78 2e9j s PRO 17 N -1.92 2.53 0.15 3.23 0.04 -1.26 -4.97 135.00 132.79 2e9j s PRO 17 Ca 0.65 1.28 0.11 0.00 0.04 0.00 0.00 61.00 63.08 2e9j s PRO 17 Cb -0.56 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 31.94 2e9j s PRO 17 CO 0.56 -1.45 1.22 1.15 0.04 0.00 0.00 177.00 178.52 2e9j h THR 18 N -0.55 1.22 -4.13 1.26 2.02 -1.93 -3.46 112.91 107.33 2e9j h THR 18 Ca -0.45 -2.81 -0.53 0.00 0.77 0.00 0.00 66.41 63.39 2e9j h THR 18 Cb 1.24 2.58 0.14 0.00 -1.74 0.00 0.00 68.15 70.36 2e9j h THR 18 CO 0.53 0.69 0.44 -0.72 0.37 0.00 0.00 175.52 176.84 2e9j s TYR 19 N -2.80 2.23 -0.12 3.16 -0.85 -1.26 -4.64 117.35 113.06 2e9j s TYR 19 Ca 0.01 1.54 -0.04 0.00 -0.52 0.00 0.00 57.07 58.06 2e9j s TYR 19 Cb 0.09 -3.49 0.06 0.00 0.38 0.00 0.00 41.96 39.00 2e9j s TYR 19 CO 0.80 -2.44 0.24 -0.51 -1.52 0.00 0.00 175.55 172.11 2e9j s ASP 20 N -1.78 0.49 0.04 -0.18 1.11 -0.89 -4.94 116.67 110.53 2e9j s ASP 20 Ca 0.76 0.49 -0.25 0.00 0.18 0.00 0.00 52.55 53.74 2e9j s ASP 20 Cb -0.30 0.60 -0.17 0.00 1.07 0.00 0.00 42.92 44.11 2e9j s ASP 20 CO 0.39 -0.25 1.51 0.00 1.18 0.00 0.00 175.17 178.01 2e9j h ALA 21 N 8.31 -0.11 -1.09 5.23 0.00 -1.85 -2.68 119.26 127.06 2e9j h ALA 21 Ca -0.14 -0.12 0.32 0.00 0.00 0.00 0.00 54.91 54.97 2e9j h ALA 21 Cb 1.12 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2e9j h ALA 21 CO 0.14 -0.46 0.80 0.77 0.00 0.00 0.00 179.25 180.51 2e9j h SER 22 N -0.32 0.00 -0.27 0.00 0.02 -1.90 0.67 113.55 111.76 2e9j h SER 22 Ca -0.01 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 2e9j h SER 22 Cb 0.27 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.74 2e9j h SER 22 CO 0.02 0.00 0.15 0.29 -1.14 0.00 0.00 176.83 176.15 2e9j n LYS 23 N -4.15 1.53 -4.01 3.45 4.76 -1.01 -4.78 118.16 113.95 2e9j n LYS 23 Ca 0.23 -0.89 -0.34 0.00 -2.87 0.00 0.00 58.31 54.44 2e9j n LYS 23 Cb 1.17 -1.43 -0.15 0.00 -1.84 0.00 0.00 35.03 32.79 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 -1.08 2.64 0.13 -0.18 1.01 0.23 -3.45 120.40 119.70 2e9j s VAL 24 Ca 0.17 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.28 2e9j s VAL 24 Cb 0.14 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2e9j s VAL 24 CO 0.04 0.34 -0.16 0.42 0.00 0.00 0.00 175.10 175.74 2e9j s THR 25 N 1.33 1.53 0.02 3.92 -4.23 -1.23 -4.98 115.64 111.99 2e9j s THR 25 Ca 0.02 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 58.81 2e9j s THR 25 Cb -0.15 -1.61 -0.01 0.00 1.34 0.00 0.00 72.50 72.06 2e9j s THR 25 CO -0.07 -0.33 -0.06 0.00 -0.54 0.00 0.00 174.62 173.62 2e9j s ALA 26 N -1.94 0.44 0.05 3.99 0.00 -1.26 -1.89 121.76 121.14 2e9j s ALA 26 Ca 0.10 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.56 2e9j s ALA 26 Cb -0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 2e9j s ALA 26 CO 0.04 0.01 -0.04 -1.54 0.00 0.00 0.00 175.76 174.23 2e9j s SER 27 N -0.95 0.56 0.00 0.00 1.04 -0.12 -4.97 113.70 109.26 2e9j s SER 27 Ca -0.06 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2e9j s SER 27 Cb -0.07 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2e9j s SER 27 CO 0.00 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2e9j n GLY 28 N 0.84 1.02 0.20 7.32 0.00 -1.26 -0.45 105.19 112.86 2e9j n GLY 28 Ca -0.19 -1.91 -0.04 0.00 0.00 0.00 0.00 46.02 43.88 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 0.00 0.32 -0.66 1.61 0.13 -1.98 -3.08 132.00 128.34 2e9j h PRO 29 Ca 0.00 -0.17 0.08 0.00 -0.87 0.00 0.00 66.00 65.04 2e9j h PRO 29 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2e9j h PRO 29 CO 0.00 0.71 0.43 0.78 -0.23 0.00 0.00 178.00 179.69 2e9j h GLY 30 N 1.23 0.78 -3.18 1.56 0.00 -1.89 -0.57 103.07 101.00 2e9j h GLY 30 Ca 0.02 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 46.97 2e9j h GLY 30 CO 0.07 0.17 0.15 1.04 0.00 0.00 0.00 176.54 177.97 2e9j n LEU 31 N -4.48 5.52 -4.64 3.11 4.77 -1.17 -4.96 117.00 115.15 2e9j n LEU 31 Ca 0.10 -3.18 -0.43 0.00 -0.03 0.00 0.00 56.01 52.47 2e9j n LEU 31 Cb 0.28 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 2e9j n LEU 31 CO 0.34 0.79 1.31 -0.55 -1.33 0.00 0.00 177.39 177.94 2e9j s SER 32 N -1.27 6.54 -0.11 -1.43 0.15 -0.23 -4.87 113.70 112.48 2e9j s SER 32 Ca 0.52 1.70 0.02 0.00 0.70 0.00 0.00 55.95 58.89 2e9j s SER 32 Cb 0.42 -2.53 0.21 0.00 -1.71 0.00 0.00 66.02 62.41 2e9j s SER 32 CO 0.12 -1.11 1.15 -1.20 1.20 0.00 0.00 173.24 173.39 2e9j n SER 33 N 7.88 2.97 -0.03 5.45 7.64 -1.26 -3.58 113.62 132.68 2e9j n SER 33 Ca 0.17 -2.41 -0.04 0.00 1.01 0.00 0.00 58.87 57.61 2e9j n SER 33 Cb 0.45 -0.59 -0.04 0.00 -1.01 0.00 0.00 64.21 63.02 2e9j n SER 33 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2e9j n TYR 34 N 0.07 0.00 0.00 1.43 4.01 -1.26 -4.97 117.16 116.44 2e9j n TYR 34 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 2e9j n TYR 34 Cb 0.75 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 2e9j n TYR 34 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2e9j n GLY 35 N 2.86 3.59 3.65 2.72 0.00 -1.23 -4.99 105.19 111.79 2e9j n GLY 35 Ca -0.11 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 3.80 -0.05 1.61 -7.23 -0.89 -4.91 120.40 112.74 2e9j s VAL 36 Ca 0.00 -1.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.86 2e9j s VAL 36 Cb 0.00 -2.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.12 2e9j s VAL 36 CO 0.00 0.17 1.49 -2.16 -0.31 0.00 0.00 175.10 174.29 2e9j s PRO 37 N -2.12 4.23 1.00 4.82 0.04 -1.26 -1.31 135.00 140.40 2e9j s PRO 37 Ca 0.23 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 2e9j s PRO 37 Cb -0.11 -3.76 0.19 0.00 0.04 0.00 0.00 34.50 30.85 2e9j s PRO 37 CO 0.15 -0.71 1.10 0.00 0.04 0.00 0.00 177.00 177.58 2e9j s ALA 38 N 3.23 0.83 -1.84 8.56 0.00 -0.82 -2.99 121.76 128.72 2e9j s ALA 38 Ca 0.66 0.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.74 2e9j s ALA 38 Cb -0.31 -3.38 0.21 0.00 0.00 0.00 0.00 23.12 19.65 2e9j s ALA 38 CO 0.26 -3.10 0.58 0.45 0.00 0.00 0.00 175.76 173.94 2e9j n SER 39 N -4.45 -1.78 -3.86 0.00 2.88 -0.77 -4.90 113.62 100.74 2e9j n SER 39 Ca 0.09 -1.23 -0.24 0.00 -1.33 0.00 0.00 58.87 56.17 2e9j n SER 39 Cb 0.53 -1.73 -0.17 0.00 -0.75 0.00 0.00 64.21 62.09 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 1.01 -0.67 2.46 1.98 -1.16 -5.01 118.68 110.03 2e9j s LEU 40 Ca 0.76 -0.18 -0.26 0.00 -2.89 0.00 0.00 54.13 51.57 2e9j s LEU 40 Cb -0.44 -0.60 -0.03 0.00 0.66 0.00 0.00 46.19 45.78 2e9j s LEU 40 CO 1.02 -0.12 1.88 -2.16 -1.89 0.00 0.00 176.35 175.08 2e9j s PRO 41 N 1.56 2.61 0.09 0.98 0.04 -1.26 -4.45 135.00 134.57 2e9j s PRO 41 Ca 0.00 0.44 0.05 0.00 0.04 0.00 0.00 61.00 61.53 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 -0.04 -2.87 -0.04 0.54 0.04 0.00 0.00 177.00 174.64 2e9j s VAL 42 N 9.31 3.80 -0.03 -0.36 0.11 -1.06 -4.90 120.40 127.26 2e9j s VAL 42 Ca 0.68 -1.07 -0.04 0.00 -2.93 0.00 0.00 61.98 58.62 2e9j s VAL 42 Cb -0.11 -2.79 0.01 0.00 -1.53 0.00 0.00 36.38 31.95 2e9j s VAL 42 CO 0.16 0.13 0.10 1.51 -3.33 0.00 0.00 175.10 173.67 2e9j s ASP 43 N -2.25 -0.09 0.49 3.54 -4.77 -1.26 -1.30 116.67 111.04 2e9j s ASP 43 Ca 0.24 0.15 0.06 0.00 -3.30 0.00 0.00 52.55 49.71 2e9j s ASP 43 Cb -0.11 0.21 0.06 0.00 -1.09 0.00 0.00 42.92 41.99 2e9j s ASP 43 CO 0.16 -0.08 0.54 2.22 0.70 0.00 0.00 175.17 178.72 2e9j n PHE 44 N 2.83 -1.59 -4.74 2.11 -1.74 -1.14 -4.32 117.46 108.87 2e9j n PHE 44 Ca -0.14 -1.93 -0.28 0.00 -0.56 0.00 0.00 57.45 54.54 2e9j n PHE 44 Cb 0.59 -0.44 -0.17 0.00 1.52 0.00 0.00 39.48 40.98 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 -2.65 1.68 -0.47 1.98 0.00 0.40 -3.39 121.76 119.31 2e9j s ALA 45 Ca 0.41 -0.69 -0.14 0.00 0.00 0.00 0.00 51.96 51.54 2e9j s ALA 45 Cb -0.03 -0.73 0.08 0.00 0.00 0.00 0.00 23.12 22.44 2e9j s ALA 45 CO 0.26 0.11 0.38 0.42 0.00 0.00 0.00 175.76 176.93 2e9j s ILE 46 N 0.67 4.99 -0.26 0.00 1.01 0.13 -0.94 121.20 126.79 2e9j s ILE 46 Ca -0.13 -1.22 -0.09 0.00 0.00 0.00 0.00 60.65 59.20 2e9j s ILE 46 Cb -0.16 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2e9j s ILE 46 CO 0.04 -0.62 0.13 1.51 0.00 0.00 0.00 174.94 176.00 2e9j s ASP 47 N 2.65 5.62 -0.19 3.58 1.47 -0.79 -1.93 116.67 127.08 2e9j s ASP 47 Ca 0.04 -0.09 -0.04 0.00 1.18 0.00 0.00 52.55 53.64 2e9j s ASP 47 Cb -0.25 -2.03 -0.02 0.00 -0.34 0.00 0.00 42.92 40.28 2e9j s ASP 47 CO 0.05 -0.03 -0.02 0.00 0.68 0.00 0.00 175.17 175.85 2e9j s ALA 48 N 1.60 2.98 -0.19 2.11 0.00 -1.23 -3.53 121.76 123.49 2e9j s ALA 48 Ca 0.07 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 50.90 2e9j s ALA 48 Cb -0.15 -1.70 -0.08 0.00 0.00 0.00 0.00 23.12 21.19 2e9j s ALA 48 CO 0.07 -0.10 -0.22 0.54 0.00 0.00 0.00 175.76 176.05 2e9j n ARG 49 N 4.15 0.52 -0.35 0.00 5.12 -1.26 -4.68 116.66 120.16 2e9j n ARG 49 Ca -0.17 0.37 0.08 0.00 -1.93 0.00 0.00 57.85 56.19 2e9j n ARG 49 Cb 0.52 -1.57 0.15 0.00 -1.16 0.00 0.00 32.46 30.40 2e9j n ARG 49 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2e9j n ASP 50 N -4.47 1.90 -0.20 0.55 -0.08 -1.26 -4.65 116.55 108.34 2e9j n ASP 50 Ca -0.22 -3.25 0.13 0.00 -1.51 0.00 0.00 54.79 49.94 2e9j n ASP 50 Cb 0.53 -0.44 0.42 0.00 2.34 0.00 0.00 41.12 43.97 2e9j n ASP 50 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2e9j n ALA 51 N -1.14 3.03 -0.34 -1.67 0.00 -1.22 -4.07 120.51 115.10 2e9j n ALA 51 Ca 0.15 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2e9j n ALA 51 Cb 0.69 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 1.34 1.15 3.72 0.00 0.00 -1.26 -2.09 105.19 108.05 2e9j n GLY 52 Ca 0.12 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 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 4.17 -0.16 1.61 2.12 -1.26 -4.89 118.70 120.30 2e9j s GLU 53 Ca 0.00 -0.23 -0.26 0.00 0.36 0.00 0.00 54.97 54.84 2e9j s GLU 53 Cb 0.00 -3.41 0.07 0.00 0.26 0.00 0.00 34.13 31.05 2e9j s GLU 53 CO 0.00 0.29 0.66 0.20 -0.54 0.00 0.00 175.26 175.87 2e9j s GLY 54 N 0.38 -0.52 -0.31 -1.50 0.00 -1.26 -4.49 107.32 99.62 2e9j s GLY 54 Ca 0.08 1.58 -0.35 0.00 0.00 0.00 0.00 44.72 46.03 2e9j s GLY 54 CO -0.02 1.28 2.15 -0.10 0.00 0.00 0.00 173.10 176.41 2e9j n LEU 55 N 1.90 2.36 -4.85 0.66 0.00 -1.26 -4.37 117.00 111.45 2e9j n LEU 55 Ca -0.16 0.47 -0.36 0.00 0.00 0.00 0.00 56.01 55.96 2e9j n LEU 55 Cb 0.56 -1.29 -0.06 0.00 0.00 0.00 0.00 43.42 42.63 2e9j n LEU 55 CO 0.13 -0.66 0.17 -0.22 0.00 0.00 0.00 177.39 176.82 2e9j s LEU 56 N 6.96 4.37 -0.10 -1.96 2.96 -1.26 -1.21 118.68 128.44 2e9j s LEU 56 Ca 1.07 0.99 -0.09 0.00 -0.22 0.00 0.00 54.13 55.87 2e9j s LEU 56 Cb -0.80 -3.09 0.03 0.00 0.50 0.00 0.00 46.19 42.83 2e9j s LEU 56 CO 0.49 0.16 0.27 0.00 -1.32 0.00 0.00 176.35 175.95 2e9j s ALA 57 N -1.38 -0.67 -0.29 5.97 0.00 -1.12 -5.02 121.76 119.24 2e9j s ALA 57 Ca 0.34 0.76 0.02 0.00 0.00 0.00 0.00 51.96 53.08 2e9j s ALA 57 Cb -0.15 -0.44 0.07 0.00 0.00 0.00 0.00 23.12 22.60 2e9j s ALA 57 CO 0.18 -0.13 -0.05 0.08 0.00 0.00 0.00 175.76 175.85 2e9j s VAL 58 N 0.12 2.36 -0.39 0.00 1.01 -1.26 -3.42 120.40 118.83 2e9j s VAL 58 Ca -0.00 -1.78 -0.08 0.00 0.00 0.00 0.00 61.98 60.12 2e9j s VAL 58 Cb -0.02 -2.48 0.06 0.00 0.00 0.00 0.00 36.38 33.95 2e9j s VAL 58 CO 0.00 -0.20 0.20 -1.10 0.00 0.00 0.00 175.10 174.01 2e9j s GLN 59 N 1.08 2.61 -0.14 2.72 -0.21 -1.24 -4.97 119.66 119.50 2e9j s GLN 59 Ca -0.03 -1.34 -0.03 0.00 0.02 0.00 0.00 55.36 53.97 2e9j s GLN 59 Cb -0.20 -3.67 -0.03 0.00 1.00 0.00 0.00 33.01 30.11 2e9j s GLN 59 CO -0.05 -0.84 -0.04 0.42 -2.12 0.00 0.00 175.29 172.66 2e9j s ILE 60 N 1.42 3.92 0.28 1.08 1.01 -1.26 -1.92 121.20 125.73 2e9j s ILE 60 Ca 0.02 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2e9j s ILE 60 Cb -0.21 -2.70 -0.06 0.00 0.01 0.00 0.00 42.46 39.50 2e9j s ILE 60 CO 0.03 0.51 0.07 0.42 0.00 0.00 0.00 174.94 175.97 2e9j s THR 61 N 0.15 0.82 0.30 2.92 -4.23 -0.71 -2.75 115.64 112.13 2e9j s THR 61 Ca -0.01 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.54 2e9j s THR 61 Cb -0.14 -2.66 0.04 0.00 1.34 0.00 0.00 72.50 71.09 2e9j s THR 61 CO 0.03 -0.04 0.34 -0.90 -0.54 0.00 0.00 174.62 173.51 2e9j n ASP 62 N -0.53 1.45 -0.21 3.99 5.75 -1.16 -2.88 116.55 122.95 2e9j n ASP 62 Ca -0.01 -1.89 0.11 0.00 -0.01 0.00 0.00 54.79 52.99 2e9j n ASP 62 Cb 0.66 -0.14 0.40 0.00 -1.03 0.00 0.00 41.12 41.01 2e9j n ASP 62 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 2e9j h GLN 63 N 0.00 0.62 0.00 0.11 3.07 -1.74 -0.08 115.11 117.08 2e9j h GLN 63 Ca -0.16 -0.04 -0.13 0.00 0.09 0.00 0.00 58.65 58.41 2e9j h GLN 63 Cb 0.66 -0.14 -0.02 0.00 0.08 0.00 0.00 27.48 28.07 2e9j h GLN 63 CO 0.24 0.41 -0.82 1.49 0.09 0.00 0.00 178.83 180.23 2e9j h GLU 64 N 0.63 0.00 -0.00 0.06 4.57 -1.94 -3.48 114.58 114.41 2e9j h GLU 64 Ca 0.39 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 2e9j h GLU 64 Cb 0.61 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 2e9j h GLU 64 CO -0.15 0.47 0.00 0.41 -1.18 0.00 0.00 179.01 178.56 2e9j n GLY 65 N 1.29 0.80 3.88 1.92 0.00 -0.04 -5.12 105.19 107.91 2e9j n GLY 65 Ca -0.02 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 0.39 3.14 0.17 1.61 -0.14 -1.26 -4.77 119.74 118.87 2e9j s LYS 66 Ca 0.00 -0.84 -0.30 0.00 -1.36 0.00 0.00 55.97 53.46 2e9j s LYS 66 Cb 0.00 -2.74 -0.08 0.00 -1.68 0.00 0.00 37.83 33.32 2e9j s LYS 66 CO 0.00 0.46 1.33 -1.25 -0.76 0.00 0.00 175.35 175.12 2e9j s PRO 67 N -3.54 4.37 0.25 -1.68 0.04 -1.26 -3.01 135.00 130.17 2e9j s PRO 67 Ca 0.33 2.04 0.11 0.00 0.04 0.00 0.00 61.00 63.52 2e9j s PRO 67 Cb -0.09 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 2e9j s PRO 67 CO 0.26 -0.31 -0.14 0.15 0.04 0.00 0.00 177.00 177.01 2e9j s LYS 68 N 0.31 1.87 -0.20 4.56 -0.14 -1.11 -4.98 119.74 120.05 2e9j s LYS 68 Ca 0.59 -1.57 -0.29 0.00 -1.36 0.00 0.00 55.97 53.34 2e9j s LYS 68 Cb -0.36 -1.94 0.00 0.00 -1.68 0.00 0.00 37.83 33.85 2e9j s LYS 68 CO 0.35 0.36 1.07 0.50 -0.76 0.00 0.00 175.35 176.88 2e9j s ARG 69 N -3.34 4.28 -0.06 1.68 3.52 -1.26 -4.81 118.95 118.96 2e9j s ARG 69 Ca 0.28 1.42 0.02 0.00 -0.13 0.00 0.00 55.73 57.32 2e9j s ARG 69 Cb -0.06 -3.65 0.01 0.00 -1.56 0.00 0.00 34.95 29.69 2e9j s ARG 69 CO 0.16 -0.60 -0.11 0.00 -0.81 0.00 0.00 175.30 173.93 2e9j s ALA 70 N 3.09 1.18 0.02 6.12 0.00 -1.26 -4.22 121.76 126.69 2e9j s ALA 70 Ca 0.46 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.93 2e9j s ALA 70 Cb -0.17 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 2e9j s ALA 70 CO 0.09 0.11 0.37 0.42 0.00 0.00 0.00 175.76 176.74 2e9j s ILE 71 N 0.65 5.13 -0.22 0.00 1.01 0.23 -4.97 121.20 123.02 2e9j s ILE 71 Ca -0.13 0.56 -0.03 0.00 0.00 0.00 0.00 60.65 61.04 2e9j s ILE 71 Cb -0.15 -3.64 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 2e9j s ILE 71 CO 0.03 0.45 -0.05 -0.69 0.00 0.00 0.00 174.94 174.68 2e9j s VAL 72 N -1.22 3.28 -0.09 2.92 1.01 -1.26 -2.34 120.40 122.69 2e9j s VAL 72 Ca 0.27 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 2e9j s VAL 72 Cb -0.15 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2e9j s VAL 72 CO 0.15 0.41 0.02 -2.28 0.00 0.00 0.00 175.10 173.39 2e9j s HIS 73 N 1.46 3.22 -0.22 5.22 2.46 -0.44 -5.04 115.29 121.94 2e9j s HIS 73 Ca 0.05 0.23 -0.03 0.00 0.47 0.00 0.00 55.06 55.79 2e9j s HIS 73 Cb -0.14 -1.81 0.00 0.00 -0.13 0.00 0.00 32.58 30.50 2e9j s HIS 73 CO -0.04 0.49 -0.07 -0.51 -2.47 0.00 0.00 174.74 172.15 2e9j s ASP 74 N -0.87 4.12 -0.17 9.88 1.01 -1.26 -3.52 116.67 125.85 2e9j s ASP 74 Ca 0.13 -0.53 0.15 0.00 0.71 0.00 0.00 52.55 53.02 2e9j s ASP 74 Cb -0.11 -1.68 -0.21 0.00 1.01 0.00 0.00 42.92 41.92 2e9j s ASP 74 CO 0.02 -0.04 0.06 0.59 0.21 0.00 0.00 175.17 176.01 2e9j n ASN 75 N 4.75 0.73 -2.11 0.27 3.02 -1.26 -4.99 115.26 115.66 2e9j n ASN 75 Ca -0.18 -0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.17 2e9j n ASN 75 Cb 0.50 0.92 -0.03 0.00 -0.61 0.00 0.00 39.78 40.56 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 -2.65 -1.54 -0.61 3.52 4.76 -1.26 -4.86 118.16 115.52 2e9j n LYS 76 Ca -0.28 1.01 0.06 0.00 -2.87 0.00 0.00 58.31 56.23 2e9j n LYS 76 Cb 1.06 -5.56 0.17 0.00 -1.84 0.00 0.00 35.03 28.86 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 -1.67 1.69 0.00 4.39 2.03 -1.26 -4.93 116.55 116.81 2e9j n ASP 77 Ca -0.23 -3.52 0.00 0.00 0.52 0.00 0.00 54.79 51.56 2e9j n ASP 77 Cb 0.67 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 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 -0.97 0.67 3.35 0.27 0.00 -1.26 -5.02 105.19 102.23 2e9j n GLY 78 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.46 0.63 -0.13 2.61 -4.23 -1.26 -3.56 115.64 107.25 2e9j s THR 79 Ca 0.00 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 2e9j s THR 79 Cb 0.00 -2.64 0.04 0.00 1.34 0.00 0.00 72.50 71.24 2e9j s THR 79 CO 0.00 0.00 0.33 -0.31 -0.54 0.00 0.00 174.62 174.10 2e9j s TYR 80 N -3.65 -0.40 0.01 3.99 2.02 -0.81 -4.24 117.35 114.27 2e9j s TYR 80 Ca 0.37 0.93 0.05 0.00 -0.37 0.00 0.00 57.07 58.05 2e9j s TYR 80 Cb 0.07 0.14 -0.03 0.00 -0.40 0.00 0.00 41.96 41.74 2e9j s TYR 80 CO 0.14 -0.21 -0.13 0.00 -1.57 0.00 0.00 175.55 173.78 2e9j s ALA 81 N 0.55 2.77 -0.08 3.71 0.00 -1.23 0.18 121.76 127.66 2e9j s ALA 81 Ca -0.03 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 2e9j s ALA 81 Cb -0.05 -0.93 0.03 0.00 0.00 0.00 0.00 23.12 22.17 2e9j s ALA 81 CO -0.03 0.58 -0.00 0.08 0.00 0.00 0.00 175.76 176.39 2e9j s VAL 82 N -0.91 0.43 -0.08 0.00 1.01 -1.22 -1.33 120.40 118.30 2e9j s VAL 82 Ca 0.15 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 2e9j s VAL 82 Cb -0.11 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2e9j s VAL 82 CO 0.05 0.26 0.15 -0.89 0.00 0.00 0.00 175.10 174.67 2e9j s THR 83 N 1.95 5.45 -0.14 3.92 2.01 -0.99 -2.91 115.64 124.93 2e9j s THR 83 Ca 0.05 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.99 2e9j s THR 83 Cb -0.12 -3.43 0.04 0.00 0.01 0.00 0.00 72.50 68.99 2e9j s THR 83 CO -0.06 0.51 0.37 -0.72 -0.69 0.00 0.00 174.62 174.04 2e9j s TYR 84 N -1.14 -0.45 -0.41 4.92 -0.85 -0.42 -0.60 117.35 118.41 2e9j s TYR 84 Ca 0.19 1.06 -0.02 0.00 -0.52 0.00 0.00 57.07 57.78 2e9j s TYR 84 Cb -0.12 0.16 0.11 0.00 0.38 0.00 0.00 41.96 42.49 2e9j s TYR 84 CO 0.09 -0.24 0.19 0.42 -1.52 0.00 0.00 175.55 174.50 2e9j s ILE 85 N 0.57 3.15 -0.33 -3.49 1.01 -1.26 -2.55 121.20 118.30 2e9j s ILE 85 Ca -0.03 -2.13 -0.29 0.00 0.00 0.00 0.00 60.65 58.20 2e9j s ILE 85 Cb -0.05 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 2e9j s ILE 85 CO -0.03 -0.69 1.69 -2.16 0.00 0.00 0.00 174.94 173.75 2e9j s PRO 86 N 1.07 3.45 -0.13 2.79 0.04 -1.26 -4.89 135.00 136.06 2e9j s PRO 86 Ca 0.09 1.35 -0.08 0.00 0.04 0.00 0.00 61.00 62.40 2e9j s PRO 86 Cb -0.22 -4.14 -0.05 0.00 0.04 0.00 0.00 34.50 30.13 2e9j s PRO 86 CO -0.05 -1.71 -0.00 0.22 0.04 0.00 0.00 177.00 175.50 2e9j h ASP 87 N 12.08 0.00 -1.90 6.66 3.58 -1.98 -2.06 116.42 132.81 2e9j h ASP 87 Ca -0.32 -0.11 -0.65 0.00 0.42 0.00 0.00 57.03 56.37 2e9j h ASP 87 Cb 1.15 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.06 2e9j h ASP 87 CO 1.04 0.72 1.09 -0.54 -2.88 0.00 0.00 179.24 178.67 2e9j s LYS 88 N -1.96 3.56 0.55 0.28 1.02 -1.26 -4.70 119.74 117.23 2e9j s LYS 88 Ca -0.10 -1.42 -0.18 0.00 0.02 0.00 0.00 55.97 54.29 2e9j s LYS 88 Cb 0.01 -5.04 -0.10 0.00 -0.52 0.00 0.00 37.83 32.18 2e9j s LYS 88 CO 0.19 -1.96 0.37 0.25 -0.92 0.00 0.00 175.35 173.28 2e9j n THR 89 N 6.10 1.71 0.00 2.17 -2.24 -1.26 -4.80 114.28 115.96 2e9j n THR 89 Ca 0.26 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2e9j n THR 89 Cb 0.50 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 1.95 0.47 3.74 3.38 0.00 -1.24 -4.97 105.19 108.52 2e9j n GLY 90 Ca 0.11 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 2e9j n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2e9j s ARG 91 N -2.00 4.72 -0.18 1.61 6.06 -1.26 -2.22 118.95 125.68 2e9j s ARG 91 Ca 0.00 1.54 -0.02 0.00 -2.50 0.00 0.00 55.73 54.75 2e9j s ARG 91 Cb 0.00 -3.32 0.05 0.00 0.06 0.00 0.00 34.95 31.75 2e9j s ARG 91 CO 0.00 0.27 0.00 0.71 -2.50 0.00 0.00 175.30 173.78 2e9j s TYR 92 N -0.46 1.30 -0.18 5.12 2.02 -0.40 -1.91 117.35 122.84 2e9j s TYR 92 Ca 0.46 -0.93 -0.08 0.00 -0.37 0.00 0.00 57.07 56.15 2e9j s TYR 92 Cb -0.26 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.13 2e9j s TYR 92 CO 0.32 -0.60 0.08 1.41 -1.57 0.00 0.00 175.55 175.19 2e9j s MET 93 N 1.76 3.92 -0.05 -0.62 -2.45 -1.14 -2.48 119.30 118.25 2e9j s MET 93 Ca -0.00 -0.31 0.04 0.00 -1.25 0.00 0.00 55.69 54.17 2e9j s MET 93 Cb -0.16 -3.22 -0.00 0.00 1.25 0.00 0.00 34.83 32.69 2e9j s MET 93 CO -0.07 0.34 -0.18 0.42 1.05 0.00 0.00 175.02 176.58 2e9j s ILE 94 N 0.19 1.52 -0.36 10.11 1.01 -1.09 -1.74 121.20 130.85 2e9j s ILE 94 Ca 0.05 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.98 2e9j s ILE 94 Cb -0.12 -1.32 0.10 0.00 0.01 0.00 0.00 42.46 41.14 2e9j s ILE 94 CO 0.00 0.44 0.08 -0.83 0.00 0.00 0.00 174.94 174.63 2e9j s GLY 95 N 0.14 1.88 0.46 6.18 0.00 -0.81 -0.03 107.32 115.14 2e9j s GLY 95 Ca -0.07 -2.51 -0.20 0.00 0.00 0.00 0.00 44.72 41.94 2e9j s GLY 95 CO 0.03 1.04 0.97 0.14 0.00 0.00 0.00 173.10 175.28 2e9j s VAL 96 N 0.85 4.39 -0.05 1.40 1.01 -1.26 -3.71 120.40 123.03 2e9j s VAL 96 Ca 0.12 1.38 -0.12 0.00 0.00 0.00 0.00 61.98 63.36 2e9j s VAL 96 Cb -0.20 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.58 2e9j s VAL 96 CO -0.09 -0.42 0.28 0.42 0.00 0.00 0.00 175.10 175.29 2e9j s THR 97 N -2.30 0.04 -0.14 3.92 -4.23 -1.22 -3.51 115.64 108.20 2e9j s THR 97 Ca 0.61 -0.35 -0.04 0.00 -1.18 0.00 0.00 61.69 60.74 2e9j s THR 97 Cb -0.10 -0.53 0.05 0.00 1.34 0.00 0.00 72.50 73.27 2e9j s THR 97 CO 0.19 -0.19 0.07 -0.47 -0.54 0.00 0.00 174.62 173.67 2e9j s TYR 98 N -0.84 0.34 -0.76 3.99 5.04 0.18 -2.79 117.35 122.52 2e9j s TYR 98 Ca -0.09 -0.27 -0.03 0.00 -2.44 0.00 0.00 57.07 54.24 2e9j s TYR 98 Cb -0.05 -0.71 0.00 0.00 0.35 0.00 0.00 41.96 41.56 2e9j s TYR 98 CO 0.03 -0.44 0.65 0.41 -1.34 0.00 0.00 175.55 174.85 2e9j n GLY 99 N 5.23 0.02 2.40 8.97 0.00 -0.35 -2.99 105.19 118.47 2e9j n GLY 99 Ca -0.06 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.24 -0.37 3.09 -0.02 0.00 -1.26 -4.91 105.19 100.48 2e9j n GLY 100 Ca -0.08 -0.12 -0.12 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 -2.26 0.12 0.52 1.61 1.01 -1.16 -5.15 116.67 111.35 2e9j s ASP 101 Ca 0.03 0.70 -0.19 0.00 0.71 0.00 0.00 52.55 53.81 2e9j s ASP 101 Cb -0.01 0.84 -0.07 0.00 1.01 0.00 0.00 42.92 44.69 2e9j s ASP 101 CO 0.04 -0.23 1.03 1.51 0.21 0.00 0.00 175.17 177.73 2e9j s ASP 102 N 2.33 6.23 0.52 0.27 1.47 -1.26 -0.65 116.67 125.58 2e9j s ASP 102 Ca -0.01 1.84 -0.12 0.00 1.18 0.00 0.00 52.55 55.45 2e9j s ASP 102 Cb -0.12 -2.55 -0.06 0.00 -0.34 0.00 0.00 42.92 39.86 2e9j s ASP 102 CO -0.10 -0.86 0.92 0.27 0.68 0.00 0.00 175.17 176.08 2e9j s ILE 103 N -2.20 4.70 -2.00 2.11 -4.36 -1.23 -4.71 121.20 113.51 2e9j s ILE 103 Ca 0.65 0.82 0.09 0.00 -0.26 0.00 0.00 60.65 61.95 2e9j s ILE 103 Cb -0.15 -3.79 0.26 0.00 1.25 0.00 0.00 42.46 40.03 2e9j s ILE 103 CO 0.26 -0.82 0.99 -0.81 0.24 0.00 0.00 174.94 174.80 2e9j n PRO 104 N -1.98 0.49 -0.11 0.37 -0.04 -1.26 -2.49 135.00 129.97 2e9j n PRO 104 Ca 0.04 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.35 2e9j n PRO 104 Cb 0.54 -1.30 -0.13 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.80 1.89 -4.78 1.53 4.77 -1.26 -4.98 117.00 113.38 2e9j n LEU 105 Ca 0.07 -0.07 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 2e9j n LEU 105 Cb 0.03 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 40.74 2e9j n LEU 105 CO 0.05 0.77 0.75 -0.94 -1.33 0.00 0.00 177.39 176.70 2e9j s SER 106 N -6.17 5.52 1.16 -1.43 1.04 -1.04 -4.47 113.70 108.32 2e9j s SER 106 Ca -0.25 2.03 -0.13 0.00 0.48 0.00 0.00 55.95 58.07 2e9j s SER 106 Cb 0.08 -2.56 0.20 0.00 0.10 0.00 0.00 66.02 63.84 2e9j s SER 106 CO 0.69 -1.35 0.71 -0.81 0.98 0.00 0.00 173.24 173.46 2e9j n PRO 107 N -1.86 -2.40 -5.10 4.02 -0.04 -1.26 -4.91 135.00 123.45 2e9j n PRO 107 Ca 0.10 -1.14 -0.30 0.00 -0.04 0.00 0.00 63.50 62.13 2e9j n PRO 107 Cb 0.52 -1.06 -0.17 0.00 -0.04 0.00 0.00 33.50 32.75 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 -2.29 2.29 -0.22 0.54 1.51 0.95 -4.91 117.35 115.22 2e9j s TYR 108 Ca 0.46 -0.86 -0.16 0.00 -1.01 0.00 0.00 57.07 55.50 2e9j s TYR 108 Cb -0.05 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.23 2e9j s TYR 108 CO 0.35 -0.34 0.42 1.03 -1.11 0.00 0.00 175.55 175.91 2e9j s ARG 109 N 0.27 4.13 -0.02 -0.62 0.52 -1.26 -2.66 118.95 119.32 2e9j s ARG 109 Ca -0.14 0.21 -0.07 0.00 -0.52 0.00 0.00 55.73 55.21 2e9j s ARG 109 Cb -0.16 -3.57 0.01 0.00 0.52 0.00 0.00 34.95 31.74 2e9j s ARG 109 CO 0.07 -0.13 0.15 0.42 0.02 0.00 0.00 175.30 175.82 2e9j s ILE 110 N 1.60 0.06 0.10 1.52 1.01 -1.03 -4.64 121.20 119.81 2e9j s ILE 110 Ca 0.19 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.44 2e9j s ILE 110 Cb -0.15 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 2e9j s ILE 110 CO 0.09 -0.27 -0.23 -0.13 0.00 0.00 0.00 174.94 174.39 2e9j s ARG 111 N -0.97 1.29 -0.30 2.79 0.52 -1.26 -1.28 118.95 119.74 2e9j s ARG 111 Ca -0.11 -1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 53.90 2e9j s ARG 111 Cb -0.06 -1.61 0.05 0.00 0.52 0.00 0.00 34.95 33.86 2e9j s ARG 111 CO 0.01 0.38 0.00 0.00 0.02 0.00 0.00 175.30 175.72 2e9j s ALA 112 N -1.06 2.82 0.03 2.13 0.00 -0.94 -2.09 121.76 122.65 2e9j s ALA 112 Ca 0.09 -1.80 0.01 0.00 0.00 0.00 0.00 51.96 50.27 2e9j s ALA 112 Cb -0.10 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 2e9j s ALA 112 CO 0.04 -1.29 0.09 -0.08 0.00 0.00 0.00 175.76 174.52 2e9j s THR 113 N 1.24 4.72 -0.02 0.00 -1.32 -0.43 -3.70 115.64 116.14 2e9j s THR 113 Ca -0.05 -0.53 0.03 0.00 -1.21 0.00 0.00 61.69 59.93 2e9j s THR 113 Cb -0.20 -3.21 0.00 0.00 -1.51 0.00 0.00 72.50 67.58 2e9j s THR 113 CO -0.01 0.25 -0.10 -1.58 -2.21 0.00 0.00 174.62 170.97 2e9j s GLN 114 N -2.03 0.98 0.00 7.08 -0.44 -1.26 -1.94 119.66 122.04 2e9j s GLN 114 Ca 0.26 -0.33 0.00 0.00 -2.50 0.00 0.00 55.36 52.80 2e9j s GLN 114 Cb -0.12 -0.92 0.00 0.00 -1.64 0.00 0.00 33.01 30.33 2e9j s GLN 114 CO 0.18 0.13 0.00 -2.37 0.50 0.00 0.00 175.29 173.73 2e9j n THR 115 N 3.23 0.00 -2.90 -0.34 5.66 -1.26 -5.05 114.28 113.62 2e9j n THR 115 Ca -0.18 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.41 2e9j n THR 115 Cb 0.54 -0.47 -0.04 0.00 -1.55 0.00 0.00 70.33 68.81 2e9j n THR 115 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2e9j s GLY 116 N -3.96 2.43 -1.01 1.09 0.00 -1.26 -4.99 107.32 99.61 2e9j s GLY 116 Ca 0.00 0.18 -0.17 0.00 0.00 0.00 0.00 44.72 44.73 2e9j s GLY 116 CO 0.00 1.53 1.21 0.99 0.00 0.00 0.00 173.10 176.83 2e9j s ASP 117 N 1.01 6.78 0.39 1.64 1.01 -1.26 -5.01 116.67 121.23 2e9j s ASP 117 Ca 0.41 -2.37 -0.24 0.00 0.71 0.00 0.00 52.55 51.06 2e9j s ASP 117 Cb -0.18 -2.39 -0.12 0.00 1.01 0.00 0.00 42.92 41.24 2e9j s ASP 117 CO 0.17 -0.94 0.75 0.00 0.21 0.00 0.00 175.17 175.36 2e9j n ALA 118 N 6.16 -0.88 0.00 5.23 0.00 -1.26 -5.33 120.51 124.42 2e9j n ALA 118 Ca 0.28 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2e9j n ALA 118 Cb 0.47 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.03 2e9j n ALA 118 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93