#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 -0.10 0.33 1.61 0.15 -1.26 -5.19 113.70 109.23 2e9j s SER 2 Ca 0.00 -0.91 0.02 0.00 0.70 0.00 0.00 55.95 55.76 2e9j s SER 2 Cb 0.00 0.79 -0.01 0.00 -1.71 0.00 0.00 66.02 65.09 2e9j s SER 2 CO 0.00 -1.53 0.37 -0.44 1.20 0.00 0.00 173.24 172.84 2e9j s SER 3 N -3.00 1.16 0.00 5.45 0.01 -1.26 -5.19 113.70 110.88 2e9j s SER 3 Ca 0.14 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 55.81 2e9j s SER 3 Cb -0.05 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.77 2e9j s SER 3 CO 0.10 -1.16 0.00 0.61 0.41 0.00 0.00 173.24 173.19 2e9j n GLY 4 N -0.56 4.21 3.80 3.44 0.00 -1.26 -5.19 105.19 109.62 2e9j n GLY 4 Ca 0.04 -1.56 -0.07 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.46 -0.28 0.15 1.61 1.04 -1.26 -5.19 113.70 109.31 2e9j s SER 5 Ca 0.00 -0.51 -0.10 0.00 0.48 0.00 0.00 55.95 55.81 2e9j s SER 5 Cb 0.00 0.68 -0.00 0.00 0.10 0.00 0.00 66.02 66.80 2e9j s SER 5 CO 0.00 -1.24 0.30 -0.44 0.98 0.00 0.00 173.24 172.85 2e9j s SER 6 N -2.90 0.00 0.12 7.02 0.01 -1.26 -5.18 113.70 111.52 2e9j s SER 6 Ca 0.10 -0.75 0.07 0.00 1.31 0.00 0.00 55.95 56.68 2e9j s SER 6 Cb -0.05 0.44 -0.04 0.00 0.21 0.00 0.00 66.02 66.58 2e9j s SER 6 CO 0.04 -0.88 -0.16 -0.83 0.41 0.00 0.00 173.24 171.82 2e9j s GLY 7 N -2.93 1.15 0.07 3.44 0.00 -1.26 -5.16 107.32 102.64 2e9j s GLY 7 Ca 0.13 -1.29 0.05 0.00 0.00 0.00 0.00 44.72 43.61 2e9j s GLY 7 CO -0.03 -1.33 -0.14 0.50 0.00 0.00 0.00 173.10 172.10 2e9j s ARG 8 N -2.44 0.82 -0.43 2.90 0.52 -1.26 -5.11 118.95 113.95 2e9j s ARG 8 Ca 0.09 -0.97 0.02 0.00 -0.52 0.00 0.00 55.73 54.34 2e9j s ARG 8 Cb -0.07 -0.81 0.15 0.00 0.52 0.00 0.00 34.95 34.74 2e9j s ARG 8 CO 0.04 0.17 0.27 -1.54 0.02 0.00 0.00 175.30 174.27 2e9j s SER 9 N -1.81 3.09 0.98 0.23 1.04 -1.26 -5.13 113.70 110.85 2e9j s SER 9 Ca -0.01 -2.69 -0.12 0.00 0.48 0.00 0.00 55.95 53.60 2e9j s SER 9 Cb -0.09 -0.78 0.18 0.00 0.10 0.00 0.00 66.02 65.42 2e9j s SER 9 CO 0.02 -0.24 1.09 -2.16 0.98 0.00 0.00 173.24 172.93 2e9j s PRO 10 N 0.35 0.61 1.42 4.02 0.04 -1.26 -5.03 135.00 135.14 2e9j s PRO 10 Ca 0.21 0.58 -0.22 0.00 0.04 0.00 0.00 61.00 61.62 2e9j s PRO 10 Cb -0.16 -1.75 0.37 0.00 0.04 0.00 0.00 34.50 32.99 2e9j s PRO 10 CO -0.05 -2.63 0.92 -0.06 0.04 0.00 0.00 177.00 175.22 2e9j s PHE 11 N -2.96 -0.54 -0.29 0.56 0.40 -1.26 -4.99 117.98 108.91 2e9j s PHE 11 Ca 0.65 0.64 0.16 0.00 -0.60 0.00 0.00 56.93 57.78 2e9j s PHE 11 Cb -0.18 -2.87 0.48 0.00 0.51 0.00 0.00 43.02 40.96 2e9j s PHE 11 CO 0.57 -5.00 1.12 1.63 0.70 0.00 0.00 175.22 174.25 2e9j n LYS 12 N -5.66 2.46 -4.33 0.44 4.76 -1.26 -5.06 118.16 109.52 2e9j n LYS 12 Ca 0.11 -3.79 -0.19 0.00 -2.87 0.00 0.00 58.31 51.58 2e9j n LYS 12 Cb 0.59 -1.85 -0.15 0.00 -1.84 0.00 0.00 35.03 31.78 2e9j n LYS 12 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2e9j s VAL 13 N -4.15 0.67 -0.07 -0.18 1.01 -1.26 -5.14 120.40 111.29 2e9j s VAL 13 Ca 0.37 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 2e9j s VAL 13 Cb 0.37 -0.59 0.03 0.00 0.00 0.00 0.00 36.38 36.19 2e9j s VAL 13 CO -0.02 0.20 -0.02 -0.54 0.00 0.00 0.00 175.10 174.73 2e9j s LYS 14 N 0.04 0.74 0.12 2.72 -0.14 -1.26 -5.14 119.74 116.81 2e9j s LYS 14 Ca -0.00 0.02 0.07 0.00 -1.36 0.00 0.00 55.97 54.70 2e9j s LYS 14 Cb -0.06 -0.99 -0.04 0.00 -1.68 0.00 0.00 37.83 35.07 2e9j s LYS 14 CO -0.00 -0.24 -0.16 0.14 -0.76 0.00 0.00 175.35 174.32 2e9j s VAL 15 N 1.68 1.47 0.40 3.17 -7.23 -1.26 -5.12 120.40 113.51 2e9j s VAL 15 Ca 0.01 -1.64 -0.23 0.00 -1.81 0.00 0.00 61.98 58.31 2e9j s VAL 15 Cb -0.13 -1.51 -0.12 0.00 0.56 0.00 0.00 36.38 35.18 2e9j s VAL 15 CO -0.04 -0.28 0.64 0.18 -0.31 0.00 0.00 175.10 175.29 2e9j n LEU 16 N 0.76 0.43 -4.72 1.32 4.32 -1.26 -4.94 117.00 112.92 2e9j n LEU 16 Ca -0.17 0.95 -0.30 0.00 -0.02 0.00 0.00 56.01 56.47 2e9j n LEU 16 Cb 0.56 -1.15 0.14 0.00 -1.62 0.00 0.00 43.42 41.34 2e9j n LEU 16 CO 0.25 -2.59 0.67 -2.16 -1.22 0.00 0.00 177.39 172.34 2e9j s PRO 17 N -1.62 1.25 0.01 3.23 0.04 -1.26 -4.99 135.00 131.65 2e9j s PRO 17 Ca 0.63 0.82 0.22 0.00 0.04 0.00 0.00 61.00 62.71 2e9j s PRO 17 Cb -0.62 -1.81 -0.28 0.00 0.04 0.00 0.00 34.50 31.84 2e9j s PRO 17 CO 0.58 -2.25 0.60 2.41 0.04 0.00 0.00 177.00 178.38 2e9j n THR 18 N -3.89 0.09 -2.22 1.26 -1.04 -1.26 -4.96 114.28 102.26 2e9j n THR 18 Ca 0.07 -0.48 -0.37 0.00 -2.04 0.00 0.00 64.05 61.24 2e9j n THR 18 Cb 0.55 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.06 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 -3.46 2.79 -0.20 -1.42 -0.85 -1.26 -4.08 117.35 108.86 2e9j s TYR 19 Ca -0.06 1.53 -0.04 0.00 -0.52 0.00 0.00 57.07 57.98 2e9j s TYR 19 Cb 0.13 -3.39 0.10 0.00 0.38 0.00 0.00 41.96 39.18 2e9j s TYR 19 CO 0.89 -1.62 0.28 -0.51 -1.52 0.00 0.00 175.55 173.07 2e9j s ASP 20 N -1.41 0.80 0.14 -0.18 1.01 -1.21 -4.87 116.67 110.94 2e9j s ASP 20 Ca 0.66 0.10 -0.19 0.00 0.71 0.00 0.00 52.55 53.84 2e9j s ASP 20 Cb -0.28 0.68 0.00 0.00 1.01 0.00 0.00 42.92 44.33 2e9j s ASP 20 CO 0.34 -0.30 1.72 0.00 0.21 0.00 0.00 175.17 177.14 2e9j h ALA 21 N 8.27 0.24 -1.17 5.23 0.00 -1.83 -1.13 119.26 128.86 2e9j h ALA 21 Ca -0.17 0.06 0.34 0.00 0.00 0.00 0.00 54.91 55.14 2e9j h ALA 21 Cb 1.14 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 2e9j h ALA 21 CO 0.24 -0.40 0.85 0.77 0.00 0.00 0.00 179.25 180.71 2e9j h SER 22 N 0.10 0.00 -0.18 0.00 0.02 -1.89 0.78 113.55 112.38 2e9j h SER 22 Ca 0.12 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 2e9j h SER 22 Cb 0.14 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 2e9j h SER 22 CO -0.19 0.00 0.09 0.29 -1.14 0.00 0.00 176.83 175.88 2e9j n LYS 23 N -4.14 1.50 -5.10 3.45 4.76 -0.43 -4.79 118.16 113.41 2e9j n LYS 23 Ca 0.25 -0.66 -0.32 0.00 -2.87 0.00 0.00 58.31 54.71 2e9j n LYS 23 Cb 1.24 -1.42 -0.17 0.00 -1.84 0.00 0.00 35.03 32.84 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 -0.97 2.00 0.07 -0.18 1.01 0.27 -3.71 120.40 118.90 2e9j s VAL 24 Ca 0.12 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.14 2e9j s VAL 24 Cb 0.10 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2e9j s VAL 24 CO 0.03 0.55 -0.07 0.42 0.00 0.00 0.00 175.10 176.02 2e9j s THR 25 N 0.43 0.62 0.00 3.92 -4.23 -1.25 -4.97 115.64 110.16 2e9j s THR 25 Ca -0.17 -1.59 0.01 0.00 -1.18 0.00 0.00 61.69 58.76 2e9j s THR 25 Cb -0.17 -1.25 -0.00 0.00 1.34 0.00 0.00 72.50 72.41 2e9j s THR 25 CO 0.07 -0.68 -0.03 0.00 -0.54 0.00 0.00 174.62 173.44 2e9j s ALA 26 N -2.74 0.20 0.01 3.99 0.00 -1.26 -2.88 121.76 119.09 2e9j s ALA 26 Ca 0.03 -0.18 -0.05 0.00 0.00 0.00 0.00 51.96 51.77 2e9j s ALA 26 Cb -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 2e9j s ALA 26 CO -0.03 0.03 0.08 -1.12 0.00 0.00 0.00 175.76 174.72 2e9j s SER 27 N -0.26 0.12 0.00 0.00 0.01 -1.06 -5.02 113.70 107.49 2e9j s SER 27 Ca -0.01 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2e9j s SER 27 Cb -0.02 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2e9j s SER 27 CO -0.00 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2e9j n GLY 28 N 1.35 0.44 0.22 3.44 0.00 -1.26 -2.47 105.19 106.91 2e9j n GLY 28 Ca -0.22 -1.80 -0.07 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 5.83 0.52 0.00 1.61 0.13 -1.99 -2.70 132.00 135.41 2e9j h PRO 29 Ca 0.00 -0.27 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 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 0.85 -0.03 0.78 -0.23 0.00 0.00 178.00 179.37 2e9j h GLY 30 N 1.09 0.00 -0.78 1.56 0.00 -1.89 -1.81 103.07 101.23 2e9j h GLY 30 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2e9j h GLY 30 CO 0.08 0.00 -0.11 1.04 0.00 0.00 0.00 176.54 177.55 2e9j n LEU 31 N -3.52 2.96 -4.66 3.11 4.77 -1.12 -4.97 117.00 113.57 2e9j n LEU 31 Ca -0.02 -3.33 -0.42 0.00 -0.03 0.00 0.00 56.01 52.21 2e9j n LEU 31 Cb 0.13 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 2e9j n LEU 31 CO 0.26 0.91 1.42 -0.55 -1.33 0.00 0.00 177.39 178.10 2e9j s SER 32 N -2.72 6.60 0.39 -1.43 0.15 -0.68 -4.83 113.70 111.18 2e9j s SER 32 Ca 0.37 2.29 0.09 0.00 0.70 0.00 0.00 55.95 59.40 2e9j s SER 32 Cb 0.33 -2.53 0.80 0.00 -1.71 0.00 0.00 66.02 62.90 2e9j s SER 32 CO 0.02 -0.98 1.94 0.77 1.20 0.00 0.00 173.24 176.19 2e9j h SER 33 N 9.87 0.26 0.13 5.45 4.64 -1.90 -1.93 113.55 130.07 2e9j h SER 33 Ca -0.41 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 2e9j h SER 33 Cb 1.19 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2e9j h SER 33 CO 0.95 0.37 -0.08 0.22 -0.87 0.00 0.00 176.83 177.43 2e9j h TYR 34 N 0.27 0.00 0.00 4.77 3.20 -1.97 -3.45 116.97 119.79 2e9j h TYR 34 Ca 0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2e9j h TYR 34 Cb 0.31 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.58 2e9j h TYR 34 CO 0.01 0.08 0.00 0.41 -1.64 0.00 0.00 178.16 177.02 2e9j n GLY 35 N -1.14 3.95 3.38 1.82 0.00 -0.72 -4.96 105.19 107.51 2e9j n GLY 35 Ca -0.03 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.36 2.24 -0.10 1.61 -7.23 -0.07 -4.74 120.40 109.75 2e9j s VAL 36 Ca 0.00 -1.61 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 2e9j s VAL 36 Cb 0.00 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 2e9j s VAL 36 CO 0.00 0.19 1.53 -2.16 -0.31 0.00 0.00 175.10 174.35 2e9j s PRO 37 N -1.76 4.17 1.06 4.82 0.04 -1.26 -0.43 135.00 141.63 2e9j s PRO 37 Ca 0.13 1.98 -0.12 0.00 0.04 0.00 0.00 61.00 63.03 2e9j s PRO 37 Cb -0.10 -3.92 0.20 0.00 0.04 0.00 0.00 34.50 30.71 2e9j s PRO 37 CO 0.05 -0.84 0.89 0.00 0.04 0.00 0.00 177.00 177.14 2e9j n ALA 38 N 7.08 -2.31 -3.94 8.56 0.00 -1.21 -2.75 120.51 125.95 2e9j n ALA 38 Ca 0.16 -0.93 -0.33 0.00 0.00 0.00 0.00 53.44 52.34 2e9j n ALA 38 Cb 0.44 -1.99 -0.06 0.00 0.00 0.00 0.00 19.45 17.83 2e9j n ALA 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2e9j n SER 39 N -4.00 -1.51 -3.83 0.00 7.64 0.14 -4.87 113.62 107.19 2e9j n SER 39 Ca 0.06 -0.93 -0.25 0.00 1.01 0.00 0.00 58.87 58.77 2e9j n SER 39 Cb 0.54 -1.33 -0.17 0.00 -1.01 0.00 0.00 64.21 62.24 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 -6.19 0.91 -0.72 -3.43 1.98 -1.11 -4.97 118.68 105.15 2e9j s LEU 40 Ca 0.65 -0.23 -0.26 0.00 -2.89 0.00 0.00 54.13 51.40 2e9j s LEU 40 Cb -0.38 -0.64 -0.03 0.00 0.66 0.00 0.00 46.19 45.80 2e9j s LEU 40 CO 0.80 -0.17 1.89 -2.16 -1.89 0.00 0.00 176.35 174.83 2e9j s PRO 41 N 1.84 2.60 0.14 0.98 0.04 -1.26 -4.32 135.00 135.01 2e9j s PRO 41 Ca 0.05 0.28 0.06 0.00 0.04 0.00 0.00 61.00 61.43 2e9j s PRO 41 Cb -0.13 -4.64 -0.04 0.00 0.04 0.00 0.00 34.50 29.74 2e9j s PRO 41 CO -0.07 -2.97 0.01 0.54 0.04 0.00 0.00 177.00 174.55 2e9j s VAL 42 N 9.45 3.86 -0.01 -0.36 0.11 -1.15 -4.89 120.40 127.42 2e9j s VAL 42 Ca 0.68 -1.24 -0.03 0.00 -2.93 0.00 0.00 61.98 58.47 2e9j s VAL 42 Cb -0.10 -2.90 -0.00 0.00 -1.53 0.00 0.00 36.38 31.84 2e9j s VAL 42 CO 0.13 -0.02 0.06 1.51 -3.33 0.00 0.00 175.10 173.45 2e9j s ASP 43 N -2.70 0.02 0.46 3.54 -4.77 -1.26 -1.00 116.67 110.97 2e9j s ASP 43 Ca 0.27 -0.08 0.03 0.00 -3.30 0.00 0.00 52.55 49.47 2e9j s ASP 43 Cb -0.10 0.14 0.03 0.00 -1.09 0.00 0.00 42.92 41.91 2e9j s ASP 43 CO 0.19 -0.16 0.28 2.22 0.70 0.00 0.00 175.17 178.40 2e9j n PHE 44 N 2.39 -0.37 -4.83 2.11 -1.74 -1.12 -4.28 117.46 109.62 2e9j n PHE 44 Ca -0.17 -2.03 -0.27 0.00 -0.56 0.00 0.00 57.45 54.42 2e9j n PHE 44 Cb 0.58 -0.37 -0.16 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 -2.69 1.58 -0.33 1.98 0.00 -1.03 -3.34 121.76 117.93 2e9j s ALA 45 Ca 0.21 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 2e9j s ALA 45 Cb -0.02 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.53 2e9j s ALA 45 CO 0.14 0.22 0.10 0.42 0.00 0.00 0.00 175.76 176.64 2e9j s ILE 46 N 0.36 3.91 -0.23 0.00 1.01 -0.08 -2.58 121.20 123.58 2e9j s ILE 46 Ca -0.12 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.52 2e9j s ILE 46 Cb -0.15 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 2e9j s ILE 46 CO 0.04 -0.09 0.02 -0.62 0.00 0.00 0.00 174.94 174.29 2e9j s ASP 47 N 1.45 4.76 -0.20 3.58 -1.08 -1.14 -2.27 116.67 121.76 2e9j s ASP 47 Ca 0.00 -0.28 -0.06 0.00 -0.52 0.00 0.00 52.55 51.69 2e9j s ASP 47 Cb -0.19 -1.84 -0.03 0.00 -1.46 0.00 0.00 42.92 39.41 2e9j s ASP 47 CO 0.03 -0.02 0.02 0.00 0.52 0.00 0.00 175.17 175.73 2e9j s ALA 48 N 1.49 3.14 -0.19 3.66 0.00 -1.26 -3.86 121.76 124.74 2e9j s ALA 48 Ca 0.06 -0.94 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 2e9j s ALA 48 Cb -0.15 -1.84 -0.09 0.00 0.00 0.00 0.00 23.12 21.05 2e9j s ALA 48 CO 0.01 -0.09 -0.20 0.54 0.00 0.00 0.00 175.76 176.02 2e9j n ARG 49 N 4.11 0.52 -0.45 0.00 5.12 -1.25 -4.67 116.66 120.05 2e9j n ARG 49 Ca -0.17 0.39 0.07 0.00 -1.93 0.00 0.00 57.85 56.21 2e9j n ARG 49 Cb 0.52 -1.58 0.16 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 1.84 -0.47 0.55 -0.08 -1.26 -4.72 116.55 107.94 2e9j n ASP 50 Ca -0.23 -3.41 0.01 0.00 -1.51 0.00 0.00 54.79 49.65 2e9j n ASP 50 Cb 0.54 -0.46 0.04 0.00 2.34 0.00 0.00 41.12 43.57 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 -1.10 2.59 -0.02 -1.67 0.00 -1.24 -4.12 120.51 114.95 2e9j n ALA 51 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2e9j n ALA 51 Cb 0.70 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 0.26 0.83 3.47 0.00 0.00 -1.26 -3.36 105.19 105.14 2e9j n GLY 52 Ca 0.03 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 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 3.62 0.20 1.61 2.12 -1.26 -4.88 118.70 120.10 2e9j s GLU 53 Ca 0.00 -0.52 -0.17 0.00 0.36 0.00 0.00 54.97 54.64 2e9j s GLU 53 Cb 0.00 -3.46 0.02 0.00 0.26 0.00 0.00 34.13 30.95 2e9j s GLU 53 CO 0.00 -0.25 0.51 0.20 -0.54 0.00 0.00 175.26 175.17 2e9j s GLY 54 N 1.64 -0.03 -0.21 -1.50 0.00 -1.26 -4.61 107.32 101.35 2e9j s GLY 54 Ca 0.06 -0.29 -0.20 0.00 0.00 0.00 0.00 44.72 44.29 2e9j s GLY 54 CO 0.06 -0.31 0.59 -2.27 0.00 0.00 0.00 173.10 171.16 2e9j s LEU 55 N -2.88 4.12 0.07 0.66 0.20 -1.26 -4.78 118.68 114.81 2e9j s LEU 55 Ca 0.10 0.74 -0.28 0.00 0.69 0.00 0.00 54.13 55.38 2e9j s LEU 55 Cb -0.01 -2.81 -0.05 0.00 -0.43 0.00 0.00 46.19 42.89 2e9j s LEU 55 CO -0.02 -0.26 0.88 -0.22 -0.29 0.00 0.00 176.35 176.44 2e9j s LEU 56 N 1.97 4.47 -0.09 -0.68 2.96 -1.26 -2.55 118.68 123.49 2e9j s LEU 56 Ca 0.26 1.64 0.01 0.00 -0.22 0.00 0.00 54.13 55.82 2e9j s LEU 56 Cb -0.16 -3.44 0.02 0.00 0.50 0.00 0.00 46.19 43.11 2e9j s LEU 56 CO 0.10 -0.05 -0.11 0.00 -1.32 0.00 0.00 176.35 174.97 2e9j s ALA 57 N 0.06 1.38 -0.16 5.97 0.00 -0.60 -5.03 121.76 123.38 2e9j s ALA 57 Ca 0.44 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.83 2e9j s ALA 57 Cb -0.22 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 2e9j s ALA 57 CO 0.27 -0.13 -0.03 0.08 0.00 0.00 0.00 175.76 175.95 2e9j s VAL 58 N 1.13 3.97 -0.21 0.00 1.01 -1.26 -2.31 120.40 122.72 2e9j s VAL 58 Ca -0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 2e9j s VAL 58 Cb -0.14 -2.74 0.06 0.00 0.00 0.00 0.00 36.38 33.55 2e9j s VAL 58 CO -0.02 0.49 -0.03 -1.10 0.00 0.00 0.00 175.10 174.44 2e9j s GLN 59 N 0.34 1.35 -0.10 2.72 -0.21 -1.24 -5.02 119.66 117.49 2e9j s GLN 59 Ca -0.04 -0.77 -0.01 0.00 0.02 0.00 0.00 55.36 54.57 2e9j s GLN 59 Cb -0.14 -2.37 -0.03 0.00 1.00 0.00 0.00 33.01 31.47 2e9j s GLN 59 CO 0.03 -0.58 -0.06 0.42 -2.12 0.00 0.00 175.29 172.97 2e9j s ILE 60 N 1.55 3.71 0.14 1.08 1.01 -1.26 -1.58 121.20 125.85 2e9j s ILE 60 Ca -0.03 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.17 2e9j s ILE 60 Cb -0.18 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 2e9j s ILE 60 CO -0.07 0.56 0.01 0.42 0.00 0.00 0.00 174.94 175.86 2e9j s THR 61 N -0.30 0.46 0.38 2.92 -4.23 -1.03 -3.42 115.64 110.41 2e9j s THR 61 Ca 0.04 -1.94 0.04 0.00 -1.18 0.00 0.00 61.69 58.66 2e9j s THR 61 Cb -0.13 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 71.75 2e9j s THR 61 CO 0.02 -0.55 0.36 -0.90 -0.54 0.00 0.00 174.62 173.01 2e9j n ASP 62 N -0.15 1.97 -0.32 3.99 5.68 -1.20 -3.18 116.55 123.33 2e9j n ASP 62 Ca -0.07 -2.22 0.11 0.00 -0.50 0.00 0.00 54.79 52.11 2e9j n ASP 62 Cb 0.63 -0.11 0.33 0.00 -1.14 0.00 0.00 41.12 40.83 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 0.77 0.00 0.11 3.07 -1.91 0.86 115.11 118.01 2e9j h GLN 63 Ca -0.22 -0.05 -0.12 0.00 0.09 0.00 0.00 58.65 58.35 2e9j h GLN 63 Cb 0.86 -0.17 -0.02 0.00 0.08 0.00 0.00 27.48 28.23 2e9j h GLN 63 CO 0.34 0.51 -0.60 1.49 0.09 0.00 0.00 178.83 180.66 2e9j h GLU 64 N 0.80 0.00 -0.11 0.06 4.81 -1.94 -3.48 114.58 114.71 2e9j h GLU 64 Ca 0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 2e9j h GLU 64 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 2e9j h GLU 64 CO -0.27 0.54 0.00 0.41 -0.73 0.00 0.00 179.01 178.96 2e9j n GLY 65 N 1.25 1.15 3.93 1.92 0.00 0.29 -5.11 105.19 108.62 2e9j n GLY 65 Ca 0.01 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.81 3.50 0.22 1.61 -0.14 -1.26 -4.77 119.74 118.08 2e9j s LYS 66 Ca 0.00 -0.39 -0.30 0.00 -1.36 0.00 0.00 55.97 53.92 2e9j s LYS 66 Cb 0.00 -2.90 -0.09 0.00 -1.68 0.00 0.00 37.83 33.16 2e9j s LYS 66 CO 0.00 0.47 1.29 -1.25 -0.76 0.00 0.00 175.35 175.10 2e9j s PRO 67 N -3.09 4.40 -0.06 -1.68 0.04 -1.26 -3.26 135.00 130.09 2e9j s PRO 67 Ca 0.37 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.52 2e9j s PRO 67 Cb -0.11 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 2e9j s PRO 67 CO 0.28 -0.21 -0.23 0.15 0.04 0.00 0.00 177.00 177.03 2e9j s LYS 68 N -0.37 2.54 -0.08 4.56 -0.14 -1.22 -5.01 119.74 120.02 2e9j s LYS 68 Ca 0.55 -0.87 -0.29 0.00 -1.36 0.00 0.00 55.97 54.00 2e9j s LYS 68 Cb -0.36 -2.20 -0.07 0.00 -1.68 0.00 0.00 37.83 33.51 2e9j s LYS 68 CO 0.40 0.42 2.09 0.50 -0.76 0.00 0.00 175.35 178.00 2e9j s ARG 69 N -0.26 3.68 -0.05 1.68 3.52 -1.26 -4.79 118.95 121.47 2e9j s ARG 69 Ca -0.00 2.35 0.06 0.00 -0.13 0.00 0.00 55.73 58.01 2e9j s ARG 69 Cb -0.13 -4.26 -0.01 0.00 -1.56 0.00 0.00 34.95 28.98 2e9j s ARG 69 CO 0.03 -1.48 -0.23 0.00 -0.81 0.00 0.00 175.30 172.81 2e9j s ALA 70 N 6.22 2.26 -0.10 6.12 0.00 -1.26 -4.42 121.76 130.58 2e9j s ALA 70 Ca 0.94 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.74 2e9j s ALA 70 Cb -0.38 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 2e9j s ALA 70 CO 0.39 0.45 0.26 0.42 0.00 0.00 0.00 175.76 177.28 2e9j s ILE 71 N -0.29 5.30 -0.37 0.00 1.01 -0.38 -4.99 121.20 121.48 2e9j s ILE 71 Ca 0.00 0.50 -0.06 0.00 0.00 0.00 0.00 60.65 61.09 2e9j s ILE 71 Cb -0.13 -3.56 0.06 0.00 0.01 0.00 0.00 42.46 38.84 2e9j s ILE 71 CO 0.03 0.53 0.15 -0.69 0.00 0.00 0.00 174.94 174.96 2e9j s VAL 72 N -0.56 3.70 -0.07 2.92 1.01 -1.26 -1.95 120.40 124.19 2e9j s VAL 72 Ca 0.18 -1.41 -0.23 0.00 0.00 0.00 0.00 61.98 60.52 2e9j s VAL 72 Cb -0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2e9j s VAL 72 CO 0.07 -0.35 0.70 -2.28 0.00 0.00 0.00 175.10 173.23 2e9j s HIS 73 N 1.34 3.57 -0.28 5.22 2.46 0.90 -5.02 115.29 123.49 2e9j s HIS 73 Ca 0.01 1.24 -0.06 0.00 0.47 0.00 0.00 55.06 56.72 2e9j s HIS 73 Cb -0.21 -2.80 0.01 0.00 -0.13 0.00 0.00 32.58 29.44 2e9j s HIS 73 CO 0.01 0.09 0.05 0.16 -2.47 0.00 0.00 174.74 172.57 2e9j s ASP 74 N 0.80 4.94 -0.10 9.88 1.47 -1.26 -2.97 116.67 129.44 2e9j s ASP 74 Ca 0.37 -0.67 0.17 0.00 1.18 0.00 0.00 52.55 53.60 2e9j s ASP 74 Cb -0.18 -1.84 -0.25 0.00 -0.34 0.00 0.00 42.92 40.32 2e9j s ASP 74 CO 0.18 -0.16 0.23 0.59 0.68 0.00 0.00 175.17 176.69 2e9j n ASN 75 N 4.84 0.82 -2.62 2.11 3.02 -1.26 -4.99 115.26 117.17 2e9j n ASN 75 Ca -0.15 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.20 2e9j n ASN 75 Cb 0.48 1.38 0.00 0.00 -0.61 0.00 0.00 39.78 41.03 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 -2.38 -2.68 -0.73 3.52 4.01 -1.26 -4.86 118.16 113.77 2e9j n LYS 76 Ca -0.15 0.88 0.06 0.00 -0.51 0.00 0.00 58.31 58.58 2e9j n LYS 76 Cb 0.76 -5.58 0.16 0.00 -0.51 0.00 0.00 35.03 29.86 2e9j n LYS 76 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2e9j n ASP 77 N -2.12 1.57 0.00 4.39 2.03 -1.26 -4.96 116.55 116.21 2e9j n ASP 77 Ca -0.18 -3.39 0.00 0.00 0.52 0.00 0.00 54.79 51.74 2e9j n ASP 77 Cb 0.65 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 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 -0.78 2.77 4.02 0.27 0.00 -1.26 -5.00 105.19 105.21 2e9j n GLY 78 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.57 2.32 -0.17 2.61 -4.23 -1.26 -4.33 115.64 109.01 2e9j s THR 79 Ca 0.00 -0.92 -0.12 0.00 -1.18 0.00 0.00 61.69 59.47 2e9j s THR 79 Cb 0.00 -2.40 0.05 0.00 1.34 0.00 0.00 72.50 71.49 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 -2.69 -0.54 -0.02 3.99 2.02 -0.96 -4.41 117.35 114.73 2e9j s TYR 80 Ca 0.61 1.22 0.02 0.00 -0.37 0.00 0.00 57.07 58.56 2e9j s TYR 80 Cb -0.07 0.22 -0.03 0.00 -0.40 0.00 0.00 41.96 41.68 2e9j s TYR 80 CO 0.39 -0.29 -0.05 0.00 -1.57 0.00 0.00 175.55 174.03 2e9j s ALA 81 N 0.84 3.08 -0.06 3.71 0.00 -1.16 -0.91 121.76 127.27 2e9j s ALA 81 Ca -0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 2e9j s ALA 81 Cb -0.06 -1.21 0.03 0.00 0.00 0.00 0.00 23.12 21.88 2e9j s ALA 81 CO -0.06 0.61 0.05 0.08 0.00 0.00 0.00 175.76 176.43 2e9j s VAL 82 N -0.97 0.02 0.00 0.00 1.01 -1.21 -0.07 120.40 119.18 2e9j s VAL 82 Ca 0.16 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 2e9j s VAL 82 Cb -0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 2e9j s VAL 82 CO 0.07 0.17 0.16 -0.89 0.00 0.00 0.00 175.10 174.61 2e9j s THR 83 N 2.11 5.26 -0.17 3.92 2.01 -0.82 -2.80 115.64 125.15 2e9j s THR 83 Ca 0.05 -0.26 -0.09 0.00 0.31 0.00 0.00 61.69 61.70 2e9j s THR 83 Cb -0.12 -3.47 0.06 0.00 0.01 0.00 0.00 72.50 68.98 2e9j s THR 83 CO -0.04 0.30 0.41 -0.72 -0.69 0.00 0.00 174.62 173.87 2e9j s TYR 84 N -1.33 -0.62 -0.60 4.92 1.13 -0.17 -1.25 117.35 119.43 2e9j s TYR 84 Ca 0.28 1.30 -0.12 0.00 -1.41 0.00 0.00 57.07 57.12 2e9j s TYR 84 Cb -0.13 0.26 0.15 0.00 -1.10 0.00 0.00 41.96 41.15 2e9j s TYR 84 CO 0.19 -0.36 0.52 0.42 -2.51 0.00 0.00 175.55 173.81 2e9j s ILE 85 N 1.57 4.86 -0.76 -3.49 1.01 -1.26 -2.93 121.20 120.21 2e9j s ILE 85 Ca -0.08 -1.98 -0.26 0.00 0.00 0.00 0.00 60.65 58.33 2e9j s ILE 85 Cb -0.09 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 2e9j s ILE 85 CO -0.13 -0.88 1.91 -2.16 0.00 0.00 0.00 174.94 173.68 2e9j s PRO 86 N 1.00 2.59 -0.00 2.79 0.04 -1.26 -4.86 135.00 135.29 2e9j s PRO 86 Ca 0.09 0.17 -0.12 0.00 0.04 0.00 0.00 61.00 61.18 2e9j s PRO 86 Cb -0.23 -4.72 -0.07 0.00 0.04 0.00 0.00 34.50 29.52 2e9j s PRO 86 CO -0.02 -3.06 0.77 0.22 0.04 0.00 0.00 177.00 174.95 2e9j h ASP 87 N 13.17 -0.37 -3.54 6.66 1.82 -1.95 0.40 116.42 132.61 2e9j h ASP 87 Ca -0.08 0.01 -0.42 0.00 -0.39 0.00 0.00 57.03 56.15 2e9j h ASP 87 Cb 1.08 0.09 0.19 0.00 0.68 0.00 0.00 39.33 41.38 2e9j h ASP 87 CO 1.21 -0.15 0.13 -0.54 -1.61 0.00 0.00 179.24 178.28 2e9j s LYS 88 N -3.25 -1.03 0.07 0.28 -0.14 -1.26 -4.32 119.74 110.09 2e9j s LYS 88 Ca -0.06 0.05 0.06 0.00 -1.36 0.00 0.00 55.97 54.67 2e9j s LYS 88 Cb 0.01 -1.61 -0.03 0.00 -1.68 0.00 0.00 37.83 34.52 2e9j s LYS 88 CO 0.19 -3.61 -0.18 0.95 -0.76 0.00 0.00 175.35 171.95 2e9j s THR 89 N -2.96 1.41 0.00 2.17 -4.23 -1.26 -4.81 115.64 105.97 2e9j s THR 89 Ca 0.70 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 2e9j s THR 89 Cb -0.12 -1.28 0.00 0.00 1.34 0.00 0.00 72.50 72.44 2e9j s THR 89 CO 0.57 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 2e9j n GLY 90 N 1.49 0.32 3.69 3.99 0.00 -1.26 -4.94 105.19 108.48 2e9j n GLY 90 Ca -0.19 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.30 4.11 -0.11 1.61 1.70 -1.26 -3.20 118.95 120.50 2e9j s ARG 91 Ca 0.00 -0.26 -0.01 0.00 -0.47 0.00 0.00 55.73 54.99 2e9j s ARG 91 Cb 0.00 -3.45 -0.03 0.00 -0.57 0.00 0.00 34.95 30.91 2e9j s ARG 91 CO 0.00 0.19 -0.06 0.71 -1.08 0.00 0.00 175.30 175.06 2e9j s TYR 92 N 0.66 2.97 -0.24 5.89 2.02 0.10 -3.19 117.35 125.57 2e9j s TYR 92 Ca 0.07 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 2e9j s TYR 92 Cb -0.12 -1.84 0.04 0.00 -0.40 0.00 0.00 41.96 39.64 2e9j s TYR 92 CO 0.01 0.12 -0.12 1.41 -1.57 0.00 0.00 175.55 175.40 2e9j s MET 93 N -0.17 2.55 -0.22 -0.62 -2.45 -1.19 -2.23 119.30 114.98 2e9j s MET 93 Ca 0.03 -1.14 -0.04 0.00 -1.25 0.00 0.00 55.69 53.29 2e9j s MET 93 Cb -0.13 -2.85 -0.01 0.00 1.25 0.00 0.00 34.83 33.10 2e9j s MET 93 CO 0.03 -0.45 -0.05 0.42 1.05 0.00 0.00 175.02 176.01 2e9j s ILE 94 N 1.20 3.31 -0.66 10.11 1.01 -1.07 -2.48 121.20 132.62 2e9j s ILE 94 Ca -0.03 -0.51 -0.08 0.00 0.00 0.00 0.00 60.65 60.02 2e9j s ILE 94 Cb -0.18 -2.50 0.17 0.00 0.01 0.00 0.00 42.46 39.97 2e9j s ILE 94 CO -0.07 0.43 0.53 -0.83 0.00 0.00 0.00 174.94 175.00 2e9j s GLY 95 N 1.46 2.46 0.07 6.18 0.00 -0.61 -0.86 107.32 116.02 2e9j s GLY 95 Ca 0.06 -3.13 -0.28 0.00 0.00 0.00 0.00 44.72 41.37 2e9j s GLY 95 CO -0.04 1.16 0.87 0.14 0.00 0.00 0.00 173.10 175.23 2e9j s VAL 96 N 0.30 4.64 0.03 1.40 1.01 -1.26 -3.65 120.40 122.87 2e9j s VAL 96 Ca 0.15 1.86 0.02 0.00 0.00 0.00 0.00 61.98 64.01 2e9j s VAL 96 Cb -0.18 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 2e9j s VAL 96 CO -0.05 0.33 -0.07 0.42 0.00 0.00 0.00 175.10 175.73 2e9j s THR 97 N 0.06 0.52 -0.08 3.92 -4.23 -0.98 -3.26 115.64 111.59 2e9j s THR 97 Ca 0.43 -0.90 -0.00 0.00 -1.18 0.00 0.00 61.69 60.04 2e9j s THR 97 Cb -0.22 -0.56 0.02 0.00 1.34 0.00 0.00 72.50 73.09 2e9j s THR 97 CO 0.26 -0.28 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.56 2e9j s TYR 98 N -1.11 1.01 -1.20 3.99 5.04 -0.08 -1.55 117.35 123.44 2e9j s TYR 98 Ca -0.07 -0.39 -0.07 0.00 -2.44 0.00 0.00 57.07 54.09 2e9j s TYR 98 Cb -0.08 -0.93 0.01 0.00 0.35 0.00 0.00 41.96 41.30 2e9j s TYR 98 CO 0.00 -0.36 0.98 0.41 -1.34 0.00 0.00 175.55 175.24 2e9j n GLY 99 N 4.75 -0.35 2.27 8.97 0.00 -1.06 -2.24 105.19 117.53 2e9j n GLY 99 Ca -0.14 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.77 -0.21 2.89 -0.02 0.00 -1.26 -4.99 105.19 99.81 2e9j n GLY 100 Ca -0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.36 0.61 0.40 1.61 1.01 -0.95 -5.14 116.67 111.84 2e9j s ASP 101 Ca 0.00 0.41 -0.24 0.00 0.71 0.00 0.00 52.55 53.43 2e9j s ASP 101 Cb -0.00 0.39 -0.09 0.00 1.01 0.00 0.00 42.92 44.24 2e9j s ASP 101 CO 0.00 -0.24 1.09 1.51 0.21 0.00 0.00 175.17 177.74 2e9j s ASP 102 N 2.29 6.67 0.63 0.27 1.47 -1.26 -0.90 116.67 125.84 2e9j s ASP 102 Ca 0.02 2.15 -0.14 0.00 1.18 0.00 0.00 52.55 55.75 2e9j s ASP 102 Cb -0.12 -2.60 -0.02 0.00 -0.34 0.00 0.00 42.92 39.85 2e9j s ASP 102 CO -0.07 -0.56 1.07 0.27 0.68 0.00 0.00 175.17 176.56 2e9j s ILE 103 N -1.56 3.73 -2.00 2.11 -4.36 -1.20 -4.71 121.20 113.20 2e9j s ILE 103 Ca 0.57 0.76 0.11 0.00 -0.26 0.00 0.00 60.65 61.83 2e9j s ILE 103 Cb -0.25 -3.31 0.31 0.00 1.25 0.00 0.00 42.46 40.46 2e9j s ILE 103 CO 0.31 -0.54 1.08 -0.81 0.24 0.00 0.00 174.94 175.22 2e9j n PRO 104 N -2.36 0.49 -0.07 0.37 -0.04 -1.26 -2.26 135.00 129.86 2e9j n PRO 104 Ca 0.09 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.48 2e9j n PRO 104 Cb 0.53 -1.35 -0.12 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.00 -4.76 1.53 7.99 -1.26 -5.00 117.00 114.65 2e9j n LEU 105 Ca 0.08 0.00 -0.34 0.00 -0.01 0.00 0.00 56.01 55.74 2e9j n LEU 105 Cb 0.04 0.35 0.03 0.00 -0.11 0.00 0.00 43.42 43.73 2e9j n LEU 105 CO 0.06 0.35 0.78 -0.94 -1.51 0.00 0.00 177.39 176.12 2e9j s SER 106 N -4.79 5.24 1.17 -1.43 1.04 -0.96 -4.48 113.70 109.49 2e9j s SER 106 Ca -0.07 2.16 -0.14 0.00 0.48 0.00 0.00 55.95 58.37 2e9j s SER 106 Cb 0.05 -2.57 0.21 0.00 0.10 0.00 0.00 66.02 63.80 2e9j s SER 106 CO 0.63 -1.55 0.74 -0.81 0.98 0.00 0.00 173.24 173.23 2e9j n PRO 107 N -1.94 -2.47 -4.04 4.02 -0.04 -1.26 -4.92 135.00 124.35 2e9j n PRO 107 Ca 0.12 -1.19 -0.33 0.00 -0.04 0.00 0.00 63.50 62.05 2e9j n PRO 107 Cb 0.51 -1.11 -0.15 0.00 -0.04 0.00 0.00 33.50 32.71 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 -2.35 3.03 -0.27 0.54 2.02 -0.04 -4.94 117.35 115.34 2e9j s TYR 108 Ca 0.48 -1.81 -0.24 0.00 -0.37 0.00 0.00 57.07 55.13 2e9j s TYR 108 Cb -0.05 -1.98 -0.00 0.00 -0.40 0.00 0.00 41.96 39.54 2e9j s TYR 108 CO 0.37 -0.80 0.83 1.03 -1.57 0.00 0.00 175.55 175.41 2e9j s ARG 109 N 1.25 4.10 0.02 -0.62 0.52 -1.26 -2.59 118.95 120.37 2e9j s ARG 109 Ca -0.01 0.83 -0.06 0.00 -0.52 0.00 0.00 55.73 55.96 2e9j s ARG 109 Cb -0.16 -3.68 -0.00 0.00 0.52 0.00 0.00 34.95 31.62 2e9j s ARG 109 CO -0.07 -0.59 0.11 0.42 0.02 0.00 0.00 175.30 175.19 2e9j s ILE 110 N 2.93 0.11 0.15 1.52 1.01 -0.94 -4.90 121.20 121.07 2e9j s ILE 110 Ca 0.35 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 60.20 2e9j s ILE 110 Cb -0.15 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 2e9j s ILE 110 CO 0.10 -0.48 -0.19 -0.60 0.00 0.00 0.00 174.94 173.76 2e9j s ARG 111 N -1.94 1.25 -0.45 2.79 3.52 -1.26 0.03 118.95 122.88 2e9j s ARG 111 Ca -0.10 -1.37 -0.07 0.00 -0.13 0.00 0.00 55.73 54.05 2e9j s ARG 111 Cb -0.05 -1.35 0.12 0.00 -1.56 0.00 0.00 34.95 32.11 2e9j s ARG 111 CO -0.01 0.28 0.31 0.00 -0.81 0.00 0.00 175.30 175.07 2e9j s ALA 112 N -1.89 3.33 -0.51 6.12 0.00 -1.19 -0.89 121.76 126.73 2e9j s ALA 112 Ca 0.14 -2.53 -0.28 0.00 0.00 0.00 0.00 51.96 49.29 2e9j s ALA 112 Cb -0.06 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 2e9j s ALA 112 CO 0.06 -1.87 1.67 0.95 0.00 0.00 0.00 175.76 176.56 2e9j s THR 113 N 1.30 3.56 -0.18 0.00 -4.23 0.42 -4.43 115.64 112.09 2e9j s THR 113 Ca 0.06 0.47 -0.29 0.00 -1.18 0.00 0.00 61.69 60.75 2e9j s THR 113 Cb -0.25 -4.06 -0.03 0.00 1.34 0.00 0.00 72.50 69.50 2e9j s THR 113 CO -0.02 -0.87 1.61 -1.58 -0.54 0.00 0.00 174.62 173.22 2e9j s GLN 114 N 6.05 3.90 0.07 3.99 0.74 -1.26 -3.29 119.66 129.86 2e9j s GLN 114 Ca 0.65 1.79 -0.17 0.00 0.05 0.00 0.00 55.36 57.67 2e9j s GLN 114 Cb -0.14 -4.01 0.03 0.00 1.10 0.00 0.00 33.01 29.99 2e9j s GLN 114 CO 0.26 -1.17 0.40 -0.08 -0.55 0.00 0.00 175.29 174.15 2e9j s THR 115 N 4.88 0.06 0.00 -0.34 -1.32 -1.26 -5.02 115.64 112.64 2e9j s THR 115 Ca 0.71 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 2e9j s THR 115 Cb -0.27 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 69.69 2e9j s THR 115 CO 0.28 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 2e9j n GLY 116 N 0.24 -1.94 3.38 6.08 0.00 -1.26 -4.86 105.19 106.83 2e9j n GLY 116 Ca -0.18 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 2e9j n GLY 116 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e9j s ASP 117 N 0.00 4.63 0.88 1.61 -1.08 -1.26 -5.09 116.67 116.37 2e9j s ASP 117 Ca 0.00 -0.30 -0.16 0.00 -0.52 0.00 0.00 52.55 51.57 2e9j s ASP 117 Cb 0.00 -1.80 -0.11 0.00 -1.46 0.00 0.00 42.92 39.55 2e9j s ASP 117 CO 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 175.17 175.35 2e9j n ALA 118 N 4.65 -4.19 -0.83 3.66 0.00 -1.26 -5.37 120.51 117.17 2e9j n ALA 118 Ca -0.17 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2e9j n ALA 118 Cb 0.51 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2e9j n ALA 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95