#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5x s SER 2 N 0.00 -0.85 -0.16 1.61 0.01 -1.26 -5.14 113.70 107.91 1x5x s SER 2 Ca 0.00 -0.20 -0.19 0.00 1.31 0.00 0.00 55.95 56.87 1x5x s SER 2 Cb 0.00 1.27 -0.03 0.00 0.21 0.00 0.00 66.02 67.47 1x5x s SER 2 CO 0.00 -0.12 0.54 -0.55 0.41 0.00 0.00 173.24 173.52 1x5x s SER 3 N 2.34 6.66 0.00 2.44 0.15 -1.26 -4.94 113.70 119.10 1x5x s SER 3 Ca 0.18 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.62 1x5x s SER 3 Cb -0.02 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1x5x s SER 3 CO -0.17 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1x5x n GLY 4 N 3.59 3.99 3.17 9.45 0.00 -1.26 -5.16 105.19 118.97 1x5x n GLY 4 Ca -0.05 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 1x5x n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5x s SER 5 N 0.00 1.99 0.31 1.61 0.15 -1.26 -5.14 113.70 111.35 1x5x s SER 5 Ca 0.00 -0.40 -0.02 0.00 0.70 0.00 0.00 55.95 56.23 1x5x s SER 5 Cb 0.00 -0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.09 1x5x s SER 5 CO 0.00 0.15 0.53 -0.44 1.20 0.00 0.00 173.24 174.68 1x5x s SER 6 N -0.79 6.36 0.00 5.45 0.01 -1.26 -5.06 113.70 118.42 1x5x s SER 6 Ca 0.05 0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1x5x s SER 6 Cb -0.07 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1x5x s SER 6 CO 0.00 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1x5x n GLY 7 N -1.29 4.44 3.82 3.44 0.00 -1.26 -4.90 105.19 109.44 1x5x n GLY 7 Ca -0.03 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 1x5x n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5x s PRO 8 N -3.37 3.01 0.30 1.61 0.04 -1.26 -4.72 135.00 130.61 1x5x s PRO 8 Ca 0.00 0.99 -0.05 0.00 0.04 0.00 0.00 61.00 61.98 1x5x s PRO 8 Cb 0.00 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.61 1x5x s PRO 8 CO 0.00 -1.04 0.41 0.43 0.04 0.00 0.00 177.00 176.84 1x5x n SER 9 N -2.95 0.07 -4.64 6.66 7.64 -1.26 -4.77 113.62 114.36 1x5x n SER 9 Ca 0.08 -1.17 -0.43 0.00 1.01 0.00 0.00 58.87 58.36 1x5x n SER 9 Cb 0.53 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 63.40 1x5x n SER 9 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1x5x s MET 10 N -3.85 3.86 0.83 1.43 1.75 -1.26 -4.76 119.30 117.30 1x5x s MET 10 Ca 0.23 1.96 -0.12 0.00 -1.25 0.00 0.00 55.69 56.52 1x5x s MET 10 Cb -0.01 -4.08 0.09 0.00 2.84 0.00 0.00 34.83 33.67 1x5x s MET 10 CO 0.16 -1.24 1.11 -1.25 -0.65 0.00 0.00 175.02 173.16 1x5x s PRO 11 N 4.69 1.82 0.13 4.11 0.04 -1.26 -4.52 135.00 140.01 1x5x s PRO 11 Ca 0.78 0.54 -0.27 0.00 0.04 0.00 0.00 61.00 62.08 1x5x s PRO 11 Cb -0.30 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 1x5x s PRO 11 CO 0.32 -1.78 0.84 0.00 0.04 0.00 0.00 177.00 176.42 1x5x s ALA 12 N -3.19 3.36 0.42 8.56 0.00 -1.26 -4.70 121.76 124.95 1x5x s ALA 12 Ca 0.62 0.43 -0.22 0.00 0.00 0.00 0.00 51.96 52.78 1x5x s ALA 12 Cb -0.14 -3.08 -0.12 0.00 0.00 0.00 0.00 23.12 19.77 1x5x s ALA 12 CO 0.54 0.14 0.57 0.43 0.00 0.00 0.00 175.76 177.44 1x5x n SER 13 N 2.22 -0.75 -4.69 0.00 7.64 -1.26 -4.33 113.62 112.45 1x5x n SER 13 Ca -0.02 0.92 -0.42 0.00 1.01 0.00 0.00 58.87 60.35 1x5x n SER 13 Cb 0.49 -1.13 -0.03 0.00 -1.01 0.00 0.00 64.21 62.54 1x5x n SER 13 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1x5x s PRO 14 N -1.61 4.36 0.46 1.43 0.04 -1.26 -4.76 135.00 133.67 1x5x s PRO 14 Ca 0.63 1.70 -0.07 0.00 0.04 0.00 0.00 61.00 63.30 1x5x s PRO 14 Cb -0.60 -3.52 0.11 0.00 0.04 0.00 0.00 34.50 30.52 1x5x s PRO 14 CO 0.58 -0.42 0.63 1.33 0.04 0.00 0.00 177.00 179.16 1x5x n VAL 15 N 4.50 0.00 -3.52 -0.36 0.24 0.34 -4.72 118.33 114.81 1x5x n VAL 15 Ca 0.11 -0.49 -0.29 0.00 -2.04 0.00 0.00 64.34 61.62 1x5x n VAL 15 Cb 0.46 -1.72 -0.13 0.00 -1.47 0.00 0.00 33.84 30.99 1x5x n VAL 15 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1x5x s LEU 16 N 0.00 1.16 0.10 1.34 2.96 -1.26 -1.33 118.68 121.65 1x5x s LEU 16 Ca 0.36 -2.03 -0.24 0.00 -0.22 0.00 0.00 54.13 52.00 1x5x s LEU 16 Cb -0.01 -0.49 -0.11 0.00 0.50 0.00 0.00 46.19 46.09 1x5x s LEU 16 CO 0.25 -0.34 1.70 0.71 -1.32 0.00 0.00 176.35 177.35 1x5x h THR 17 N 5.40 0.74 -4.07 3.68 1.35 -1.51 -3.45 112.91 115.06 1x5x h THR 17 Ca -0.01 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.68 1x5x h THR 17 Cb 0.98 0.74 -0.18 0.00 -1.73 0.00 0.00 68.15 67.96 1x5x h THR 17 CO 0.33 0.00 -0.70 -0.75 -0.25 0.00 0.00 175.52 174.16 1x5x s LYS 18 N -6.15 0.49 -0.17 4.72 2.36 -1.21 -5.06 119.74 114.71 1x5x s LYS 18 Ca -0.14 -0.92 0.01 0.00 -2.55 0.00 0.00 55.97 52.36 1x5x s LYS 18 Cb 0.07 0.08 0.02 0.00 -1.05 0.00 0.00 37.83 36.96 1x5x s LYS 18 CO 0.66 -0.06 -0.17 0.00 1.55 0.00 0.00 175.35 177.32 1x5x s ALA 19 N -2.59 2.17 0.52 3.13 0.00 -1.26 -1.90 121.76 121.83 1x5x s ALA 19 Ca -0.04 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 50.86 1x5x s ALA 19 Cb -0.02 -1.16 0.05 0.00 0.00 0.00 0.00 23.12 22.00 1x5x s ALA 19 CO -0.05 -0.41 0.71 0.20 0.00 0.00 0.00 175.76 176.22 1x5x s GLY 20 N 1.35 1.83 0.08 0.00 0.00 0.11 -4.59 107.32 106.10 1x5x s GLY 20 Ca 0.04 -1.85 -0.01 0.00 0.00 0.00 0.00 44.72 42.90 1x5x s GLY 20 CO -0.12 -1.51 1.14 -2.22 0.00 0.00 0.00 173.10 170.39 1x5x h ILE 21 N 0.31 1.51 0.00 0.90 2.04 -1.89 -2.65 117.51 117.73 1x5x h ILE 21 Ca -0.35 -3.13 -0.04 0.00 1.00 0.00 0.00 64.86 62.33 1x5x h ILE 21 Cb 1.28 2.89 -0.09 0.00 -0.74 0.00 0.00 36.82 40.16 1x5x h ILE 21 CO 0.43 0.90 -0.50 0.35 0.00 0.00 0.00 178.15 179.33 1x5x n THR 22 N -3.46 0.79 -3.51 -0.27 -2.24 -1.26 -3.00 114.28 101.33 1x5x n THR 22 Ca -0.07 -1.27 -0.14 0.00 -2.27 0.00 0.00 64.05 60.29 1x5x n THR 22 Cb 1.00 0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 69.51 1x5x n THR 22 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1x5x s TRP 23 N -1.19 -0.52 -0.09 4.78 1.48 -1.26 -2.75 118.94 119.39 1x5x s TRP 23 Ca 0.21 0.60 -0.03 0.00 -1.06 0.00 0.00 56.10 55.82 1x5x s TRP 23 Cb 0.21 0.43 0.04 0.00 -1.16 0.00 0.00 33.47 32.99 1x5x s TRP 23 CO -0.04 -0.70 0.08 -0.51 -4.06 0.00 0.00 176.95 171.72 1x5x s LEU 24 N -2.00 0.20 -0.57 -4.66 1.43 -0.73 0.07 118.68 112.42 1x5x s LEU 24 Ca -0.05 -0.17 -0.22 0.00 -1.03 0.00 0.00 54.13 52.66 1x5x s LEU 24 Cb -0.01 -0.15 0.05 0.00 0.03 0.00 0.00 46.19 46.11 1x5x s LEU 24 CO -0.02 -0.29 0.87 -0.55 0.23 0.00 0.00 176.35 176.59 1x5x s SER 25 N 2.17 6.27 0.34 2.29 0.15 -0.80 -1.27 113.70 122.85 1x5x s SER 25 Ca 0.04 -0.66 0.05 0.00 0.70 0.00 0.00 55.95 56.08 1x5x s SER 25 Cb -0.14 -2.40 -0.01 0.00 -1.71 0.00 0.00 66.02 61.77 1x5x s SER 25 CO -0.05 -1.20 0.49 -0.76 1.20 0.00 0.00 173.24 172.91 1x5x s LEU 26 N 3.65 3.95 -0.19 3.45 1.43 -0.91 -1.34 118.68 128.73 1x5x s LEU 26 Ca 0.24 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 53.20 1x5x s LEU 26 Cb -0.15 -2.83 0.09 0.00 0.03 0.00 0.00 46.19 43.33 1x5x s LEU 26 CO 0.15 -0.44 0.36 -1.58 0.23 0.00 0.00 176.35 175.07 1x5x s GLN 27 N -4.22 0.27 0.30 1.70 -0.44 -0.44 -3.25 119.66 113.59 1x5x s GLN 27 Ca 0.45 0.82 0.09 0.00 -2.50 0.00 0.00 55.36 54.21 1x5x s GLN 27 Cb -0.10 0.00 -0.06 0.00 -1.64 0.00 0.00 33.01 31.22 1x5x s GLN 27 CO 0.32 -0.36 -0.10 1.67 0.50 0.00 0.00 175.29 177.32 1x5x s TRP 28 N 2.53 2.19 0.39 1.67 -2.14 -1.20 0.13 118.94 122.51 1x5x s TRP 28 Ca 0.02 -0.54 0.03 0.00 2.66 0.00 0.00 56.10 58.27 1x5x s TRP 28 Cb -0.13 -1.19 -0.04 0.00 -3.10 0.00 0.00 33.47 29.01 1x5x s TRP 28 CO -0.12 0.49 0.09 -1.54 -2.66 0.00 0.00 176.95 173.20 1x5x s SER 29 N -3.52 2.84 0.71 -2.66 1.04 -1.26 -4.50 113.70 106.35 1x5x s SER 29 Ca 0.30 -1.56 -0.11 0.00 0.48 0.00 0.00 55.95 55.06 1x5x s SER 29 Cb 0.01 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.43 1x5x s SER 29 CO 0.14 -0.80 1.07 -1.59 0.98 0.00 0.00 173.24 173.04 1x5x s LYS 30 N -3.80 2.79 0.09 4.02 -2.85 -1.26 -4.17 119.74 114.57 1x5x s LYS 30 Ca 0.26 0.84 -0.02 0.00 -1.00 0.00 0.00 55.97 56.06 1x5x s LYS 30 Cb 0.05 -1.98 0.02 0.00 -2.06 0.00 0.00 37.83 33.86 1x5x s LYS 30 CO 0.13 -1.17 0.10 -0.35 0.10 0.00 0.00 175.35 174.16 1x5x n PRO 31 N -3.16 -0.64 -4.10 1.78 -0.04 -1.26 -4.55 135.00 123.03 1x5x n PRO 31 Ca 0.07 -0.16 -0.35 0.00 -0.04 0.00 0.00 63.50 63.03 1x5x n PRO 31 Cb 0.54 -0.12 -0.10 0.00 -0.04 0.00 0.00 33.50 33.78 1x5x n PRO 31 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5x s SER 32 N -1.57 5.54 -0.63 3.54 0.01 -1.26 -4.64 113.70 114.69 1x5x s SER 32 Ca 0.06 0.10 -0.00 0.00 1.31 0.00 0.00 55.95 57.42 1x5x s SER 32 Cb -0.00 -1.87 -0.00 0.00 0.21 0.00 0.00 66.02 64.35 1x5x s SER 32 CO 0.04 0.23 0.59 0.61 0.41 0.00 0.00 173.24 175.13 1x5x n GLY 33 N 3.16 -1.08 3.80 3.44 0.00 -1.26 -4.66 105.19 108.60 1x5x n GLY 33 Ca -0.17 0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1x5x n GLY 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5x s THR 34 N -3.01 3.71 0.07 2.61 -4.23 -1.26 -4.74 115.64 108.79 1x5x s THR 34 Ca 0.02 0.78 -0.15 0.00 -1.18 0.00 0.00 61.69 61.16 1x5x s THR 34 Cb -0.00 -3.32 -0.21 0.00 1.34 0.00 0.00 72.50 70.31 1x5x s THR 34 CO 0.63 -0.51 1.21 1.55 -0.54 0.00 0.00 174.62 176.96 1x5x h PRO 35 N 0.23 0.68 -5.93 3.99 0.13 -1.94 -3.46 132.00 125.70 1x5x h PRO 35 Ca -0.46 -0.66 -0.59 0.00 -0.87 0.00 0.00 66.00 63.42 1x5x h PRO 35 Cb 1.22 0.17 -0.10 0.00 0.13 0.00 0.00 31.00 32.42 1x5x h PRO 35 CO 0.57 1.26 -0.58 0.45 -0.23 0.00 0.00 178.00 179.46 1x5x s SER 36 N -7.12 4.20 0.04 1.44 0.15 -1.26 -5.07 113.70 106.09 1x5x s SER 36 Ca -0.11 -1.08 -0.27 0.00 0.70 0.00 0.00 55.95 55.20 1x5x s SER 36 Cb 0.07 -0.50 -0.15 0.00 -1.71 0.00 0.00 66.02 63.73 1x5x s SER 36 CO 0.90 -0.36 1.33 -0.78 1.20 0.00 0.00 173.24 175.52 1x5x h ASP 37 N 1.69 -0.81 -5.61 5.45 3.58 -2.04 -3.48 116.42 115.20 1x5x h ASP 37 Ca -0.43 0.03 -0.32 0.00 0.42 0.00 0.00 57.03 56.73 1x5x h ASP 37 Cb 1.25 0.21 -0.09 0.00 1.72 0.00 0.00 39.33 42.42 1x5x h ASP 37 CO 0.70 -0.56 -0.25 -1.61 -2.88 0.00 0.00 179.24 174.64 1x5x s GLU 38 N -4.98 1.89 0.00 0.28 2.02 -1.26 -4.96 118.70 111.69 1x5x s GLU 38 Ca -0.14 -1.82 0.00 0.00 0.02 0.00 0.00 54.97 53.03 1x5x s GLU 38 Cb 0.01 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.66 1x5x s GLU 38 CO 0.42 -0.77 0.00 0.41 0.02 0.00 0.00 175.26 175.34 1x5x n GLY 39 N -0.58 1.25 3.84 -1.39 0.00 -1.26 -5.10 105.19 101.96 1x5x n GLY 39 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1x5x n GLY 39 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5x s ILE 40 N -2.00 4.98 0.10 -0.61 1.01 -1.26 -4.82 121.20 118.59 1x5x s ILE 40 Ca 0.00 0.79 0.09 0.00 0.00 0.00 0.00 60.65 61.52 1x5x s ILE 40 Cb 0.00 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1x5x s ILE 40 CO 0.00 0.44 -0.23 -0.44 0.00 0.00 0.00 174.94 174.71 1x5x s SER 41 N -1.38 2.75 -0.12 3.58 0.01 -1.18 -4.58 113.70 112.79 1x5x s SER 41 Ca 0.29 -0.67 0.03 0.00 1.31 0.00 0.00 55.95 56.91 1x5x s SER 41 Cb -0.16 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 65.90 1x5x s SER 41 CO 0.16 0.12 -0.20 -0.31 0.41 0.00 0.00 173.24 173.42 1x5x s TYR 42 N -1.05 2.39 -0.38 2.43 1.51 -1.06 -1.56 117.35 119.63 1x5x s TYR 42 Ca 0.09 -1.11 -0.16 0.00 -1.01 0.00 0.00 57.07 54.87 1x5x s TYR 42 Cb -0.10 -1.64 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 1x5x s TYR 42 CO 0.04 -0.51 0.40 0.42 -1.11 0.00 0.00 175.55 174.79 1x5x s ILE 43 N 0.72 5.13 -0.40 2.71 1.01 0.13 -4.06 121.20 126.44 1x5x s ILE 43 Ca -0.11 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.10 1x5x s ILE 43 Cb -0.16 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.39 1x5x s ILE 43 CO 0.01 -0.26 1.30 -0.22 0.00 0.00 0.00 174.94 175.78 1x5x s LEU 44 N 2.06 3.68 0.36 2.97 2.96 -1.18 -2.29 118.68 127.24 1x5x s LEU 44 Ca 0.12 0.84 0.04 0.00 -0.22 0.00 0.00 54.13 54.90 1x5x s LEU 44 Cb -0.17 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 1x5x s LEU 44 CO 0.12 -1.28 0.53 -1.61 -1.32 0.00 0.00 176.35 172.79 1x5x s GLU 45 N 4.58 3.17 -0.18 1.98 2.02 -0.72 -1.33 118.70 128.23 1x5x s GLU 45 Ca 0.56 -0.75 -0.28 0.00 0.02 0.00 0.00 54.97 54.52 1x5x s GLU 45 Cb -0.13 -2.73 0.09 0.00 0.10 0.00 0.00 34.13 31.46 1x5x s GLU 45 CO 0.29 0.01 0.80 1.41 0.02 0.00 0.00 175.26 177.79 1x5x s MET 46 N -4.29 0.82 -0.08 1.61 -2.45 -0.76 -2.79 119.30 111.37 1x5x s MET 46 Ca 0.44 0.56 0.02 0.00 -1.25 0.00 0.00 55.69 55.46 1x5x s MET 46 Cb -0.10 0.39 0.01 0.00 1.25 0.00 0.00 34.83 36.39 1x5x s MET 46 CO 0.33 -0.18 -0.13 -2.00 1.05 0.00 0.00 175.02 174.09 1x5x s GLU 47 N -0.38 1.89 0.00 4.11 2.12 -1.10 -1.96 118.70 123.38 1x5x s GLU 47 Ca -0.03 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.83 1x5x s GLU 47 Cb -0.03 -1.57 0.00 0.00 0.26 0.00 0.00 34.13 32.79 1x5x s GLU 47 CO 0.03 0.01 0.00 -1.91 -0.54 0.00 0.00 175.26 172.84 1x5x n GLU 48 N 3.93 -1.74 -1.43 4.30 0.00 -1.26 -4.04 120.64 120.40 1x5x n GLU 48 Ca -0.21 0.00 0.17 0.00 0.00 0.00 0.00 57.16 57.12 1x5x n GLU 48 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.86 1x5x n GLU 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1x5x n GLU 49 N -0.44 -3.23 0.00 5.31 1.02 -1.26 -4.82 120.64 117.21 1x5x n GLU 49 Ca 0.00 2.65 0.00 0.00 -0.02 0.00 0.00 57.16 59.79 1x5x n GLU 49 Cb 0.00 -3.81 0.00 0.00 -0.02 0.00 0.00 31.44 27.61 1x5x n GLU 49 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1x5x n THR 50 N -4.33 0.00 -1.93 2.62 -2.24 -1.26 -3.86 114.28 103.29 1x5x n THR 50 Ca -0.09 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.36 1x5x n THR 50 Cb 0.66 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 1x5x n THR 50 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x5x s SER 51 N -4.00 4.99 -0.83 3.42 1.04 -1.26 -4.85 113.70 112.22 1x5x s SER 51 Ca 0.00 0.18 -0.22 0.00 0.48 0.00 0.00 55.95 56.39 1x5x s SER 51 Cb 0.00 -2.53 -0.19 0.00 0.10 0.00 0.00 66.02 63.39 1x5x s SER 51 CO 0.00 -2.67 2.36 0.61 0.98 0.00 0.00 173.24 174.52 1x5x n GLY 52 N 6.13 -0.23 2.76 7.32 0.00 -1.25 -4.77 105.19 115.14 1x5x n GLY 52 Ca 0.30 0.33 -0.17 0.00 0.00 0.00 0.00 46.02 46.48 1x5x n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x5x s TYR 53 N 9.91 -0.29 0.00 1.61 2.02 -1.26 -5.07 117.35 124.27 1x5x s TYR 53 Ca 1.08 -0.88 0.00 0.00 -0.37 0.00 0.00 57.07 56.89 1x5x s TYR 53 Cb -0.42 -0.40 0.00 0.00 -0.40 0.00 0.00 41.96 40.74 1x5x s TYR 53 CO 0.27 -0.98 0.00 0.41 -1.57 0.00 0.00 175.55 173.69 1x5x n GLY 54 N 4.12 1.17 3.91 0.71 0.00 -1.26 -5.05 105.19 108.79 1x5x n GLY 54 Ca 0.12 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.24 1x5x n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x5x s PHE 55 N -2.23 3.51 0.10 1.61 0.40 -1.26 -4.81 117.98 115.29 1x5x s PHE 55 Ca 0.00 0.73 0.07 0.00 -0.60 0.00 0.00 56.93 57.13 1x5x s PHE 55 Cb 0.00 -2.20 -0.03 0.00 0.51 0.00 0.00 43.02 41.29 1x5x s PHE 55 CO 0.00 -0.04 -0.17 0.15 0.70 0.00 0.00 175.22 175.86 1x5x s LYS 56 N -4.13 1.00 0.50 0.44 -0.14 -0.83 -4.92 119.74 111.65 1x5x s LYS 56 Ca 0.46 -1.11 -0.20 0.00 -1.36 0.00 0.00 55.97 53.76 1x5x s LYS 56 Cb -0.10 -1.10 -0.08 0.00 -1.68 0.00 0.00 37.83 34.87 1x5x s LYS 56 CO 0.36 0.24 1.04 -1.25 -0.76 0.00 0.00 175.35 174.98 1x5x s PRO 57 N -2.02 3.76 0.01 -1.68 0.04 -1.26 -1.83 135.00 132.02 1x5x s PRO 57 Ca 0.04 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1x5x s PRO 57 Cb -0.09 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1x5x s PRO 57 CO 0.03 -0.46 0.00 1.63 0.04 0.00 0.00 177.00 178.24 1x5x n LYS 58 N -1.07 0.00 -4.39 4.56 5.02 -0.44 -4.93 118.16 116.92 1x5x n LYS 58 Ca 0.09 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.13 1x5x n LYS 58 Cb 0.53 -0.27 -0.10 0.00 -0.02 0.00 0.00 35.03 35.16 1x5x n LYS 58 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1x5x s TYR 59 N -2.00 2.43 -0.47 2.13 5.04 -1.21 -4.98 117.35 118.29 1x5x s TYR 59 Ca 0.00 -0.30 0.06 0.00 -2.44 0.00 0.00 57.07 54.39 1x5x s TYR 59 Cb 0.00 -1.14 0.18 0.00 0.35 0.00 0.00 41.96 41.35 1x5x s TYR 59 CO 0.00 0.58 0.61 0.34 -1.34 0.00 0.00 175.55 175.74 1x5x s ASP 60 N -3.07 -0.68 0.23 4.32 2.15 -1.26 -3.13 116.67 115.23 1x5x s ASP 60 Ca 0.26 -1.81 -0.10 0.00 0.43 0.00 0.00 52.55 51.33 1x5x s ASP 60 Cb -0.07 1.35 -0.01 0.00 -0.30 0.00 0.00 42.92 43.89 1x5x s ASP 60 CO 0.14 -0.11 0.38 -0.83 -0.17 0.00 0.00 175.17 174.58 1x5x s GLY 61 N 0.94 0.75 -0.57 2.66 0.00 -1.26 -5.04 107.32 104.81 1x5x s GLY 61 Ca 0.27 -1.08 -0.02 0.00 0.00 0.00 0.00 44.72 43.89 1x5x s GLY 61 CO -0.08 -0.83 2.08 -1.84 0.00 0.00 0.00 173.10 172.44 1x5x n GLU 62 N -0.34 2.41 -4.26 2.90 0.28 -1.26 -2.56 120.64 117.80 1x5x n GLU 62 Ca -0.01 -2.73 -0.30 0.00 -0.16 0.00 0.00 57.16 53.96 1x5x n GLU 62 Cb 0.63 -2.08 -0.10 0.00 1.43 0.00 0.00 31.44 31.33 1x5x n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1x5x s ASP 63 N -1.01 4.51 -0.50 -1.84 1.01 -1.26 -4.95 116.67 112.63 1x5x s ASP 63 Ca 0.53 -0.32 0.02 0.00 0.71 0.00 0.00 52.55 53.49 1x5x s ASP 63 Cb 0.41 -0.92 0.59 0.00 1.01 0.00 0.00 42.92 44.01 1x5x s ASP 63 CO -0.06 0.20 1.94 0.18 0.21 0.00 0.00 175.17 177.63 1x5x n LEU 64 N 0.84 6.95 -3.64 1.23 4.77 -1.26 -4.69 117.00 121.20 1x5x n LEU 64 Ca -0.13 -3.76 -0.07 0.00 -0.03 0.00 0.00 56.01 52.02 1x5x n LEU 64 Cb 0.52 -0.88 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 1x5x n LEU 64 CO 0.34 1.16 0.89 0.00 -1.33 0.00 0.00 177.39 178.45 1x5x s ALA 65 N -3.37 -2.06 0.07 -1.18 0.00 -1.26 -3.28 121.76 110.68 1x5x s ALA 65 Ca 0.58 1.80 -0.15 0.00 0.00 0.00 0.00 51.96 54.19 1x5x s ALA 65 Cb 0.48 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 22.08 1x5x s ALA 65 CO 0.07 -0.19 0.35 -0.47 0.00 0.00 0.00 175.76 175.53 1x5x s TYR 66 N 0.13 -0.16 -0.31 0.00 5.04 -1.20 -5.05 117.35 115.79 1x5x s TYR 66 Ca 0.05 -0.01 0.03 0.00 -2.44 0.00 0.00 57.07 54.70 1x5x s TYR 66 Cb -0.05 0.16 0.08 0.00 0.35 0.00 0.00 41.96 42.51 1x5x s TYR 66 CO -0.09 -0.58 -0.00 0.99 -1.34 0.00 0.00 175.55 174.52 1x5x s THR 67 N -2.95 2.29 0.46 4.34 2.01 -1.26 -2.15 115.64 118.38 1x5x s THR 67 Ca -0.02 -2.06 -0.23 0.00 0.31 0.00 0.00 61.69 59.69 1x5x s THR 67 Cb 0.00 -2.56 -0.07 0.00 0.01 0.00 0.00 72.50 69.88 1x5x s THR 67 CO -0.06 -0.38 1.20 -0.69 -0.69 0.00 0.00 174.62 173.99 1x5x s VAL 68 N 0.99 2.97 0.32 3.82 1.01 -0.39 -4.86 120.40 124.25 1x5x s VAL 68 Ca 0.03 0.74 0.03 0.00 0.00 0.00 0.00 61.98 62.79 1x5x s VAL 68 Cb -0.19 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1x5x s VAL 68 CO -0.07 0.01 0.15 -0.54 0.00 0.00 0.00 175.10 174.65 1x5x s LYS 69 N -2.64 1.65 -0.70 2.72 1.02 -1.26 -1.77 119.74 118.76 1x5x s LYS 69 Ca 0.63 -1.95 -0.02 0.00 0.02 0.00 0.00 55.97 54.65 1x5x s LYS 69 Cb -0.31 -0.21 -0.02 0.00 -0.52 0.00 0.00 37.83 36.77 1x5x s LYS 69 CO 0.38 -0.44 0.64 -1.71 -0.92 0.00 0.00 175.35 173.29 1x5x n ASN 70 N -0.99 -6.32 -3.34 2.83 2.85 -1.11 -4.93 115.26 104.25 1x5x n ASN 70 Ca 0.00 -0.26 -0.18 0.00 -0.11 0.00 0.00 54.58 54.03 1x5x n ASN 70 Cb 0.65 -4.41 -0.04 0.00 1.24 0.00 0.00 39.78 37.21 1x5x n ASN 70 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1x5x n LEU 71 N -2.13 0.00 -4.38 1.20 4.77 -1.18 -5.02 117.00 110.27 1x5x n LEU 71 Ca -0.02 -1.94 -0.30 0.00 -0.03 0.00 0.00 56.01 53.73 1x5x n LEU 71 Cb 0.54 0.39 -0.14 0.00 -2.33 0.00 0.00 43.42 41.89 1x5x n LEU 71 CO 0.45 -0.28 -0.56 -0.13 -1.33 0.00 0.00 177.39 175.53 1x5x s ARG 72 N -3.05 1.60 0.49 3.23 0.52 -1.26 -4.71 118.95 115.76 1x5x s ARG 72 Ca 0.05 -1.24 -0.23 0.00 -0.52 0.00 0.00 55.73 53.80 1x5x s ARG 72 Cb 0.00 -1.95 -0.06 0.00 0.52 0.00 0.00 34.95 33.46 1x5x s ARG 72 CO 0.04 0.48 1.25 -0.98 0.02 0.00 0.00 175.30 176.11 1x5x s ARG 73 N -1.71 3.52 -0.66 3.54 3.03 -1.16 -3.79 118.95 121.72 1x5x s ARG 73 Ca 0.13 1.99 -0.17 0.00 2.03 0.00 0.00 55.73 59.70 1x5x s ARG 73 Cb -0.10 -2.37 0.03 0.00 -1.03 0.00 0.00 34.95 31.48 1x5x s ARG 73 CO 0.05 -0.81 0.63 0.45 -1.13 0.00 0.00 175.30 174.49 1x5x n SER 74 N -0.67 -5.22 -3.84 -2.89 2.88 0.48 -4.89 113.62 99.47 1x5x n SER 74 Ca 0.08 -0.58 -0.10 0.00 -1.33 0.00 0.00 58.87 56.95 1x5x n SER 74 Cb 0.46 -1.78 -0.06 0.00 -0.75 0.00 0.00 64.21 62.09 1x5x n SER 74 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1x5x s THR 75 N -2.33 0.07 0.19 2.46 2.01 -1.25 -4.93 115.64 111.87 1x5x s THR 75 Ca 0.17 -1.09 0.10 0.00 0.31 0.00 0.00 61.69 61.18 1x5x s THR 75 Cb -0.02 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1x5x s THR 75 CO 0.88 -0.32 -0.18 -1.59 -0.69 0.00 0.00 174.62 172.72 1x5x s LYS 76 N -3.90 1.74 -0.10 4.92 0.00 -1.26 0.04 119.74 121.18 1x5x s LYS 76 Ca 0.11 -1.43 -0.19 0.00 0.00 0.00 0.00 55.97 54.46 1x5x s LYS 76 Cb 0.02 -1.97 0.04 0.00 0.00 0.00 0.00 37.83 35.93 1x5x s LYS 76 CO -0.04 0.41 0.47 0.71 0.00 0.00 0.00 175.35 176.90 1x5x s TYR 77 N -1.70 -0.45 -0.20 1.78 2.02 -0.87 -5.01 117.35 112.92 1x5x s TYR 77 Ca 0.23 0.94 -0.09 0.00 -0.37 0.00 0.00 57.07 57.77 1x5x s TYR 77 Cb -0.08 0.20 -0.05 0.00 -0.40 0.00 0.00 41.96 41.63 1x5x s TYR 77 CO 0.12 -0.38 0.12 0.15 -1.57 0.00 0.00 175.55 173.99 1x5x s LYS 78 N -0.55 4.14 0.07 -0.62 1.02 -1.26 -2.50 119.74 120.05 1x5x s LYS 78 Ca -0.07 -0.25 0.06 0.00 0.02 0.00 0.00 55.97 55.73 1x5x s LYS 78 Cb -0.03 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 1x5x s LYS 78 CO 0.04 0.28 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.53 1x5x s PHE 79 N 0.41 1.35 -0.09 3.18 0.08 -0.43 -2.71 117.98 119.76 1x5x s PHE 79 Ca 0.07 -0.44 -0.06 0.00 0.12 0.00 0.00 56.93 56.63 1x5x s PHE 79 Cb -0.11 -0.76 0.04 0.00 -0.57 0.00 0.00 43.02 41.61 1x5x s PHE 79 CO -0.01 0.09 0.22 -1.59 -0.10 0.00 0.00 175.22 173.83 1x5x s LYS 80 N -1.68 0.21 -0.09 0.44 -2.85 -1.12 -0.65 119.74 114.01 1x5x s LYS 80 Ca 0.00 0.42 -0.22 0.00 -1.00 0.00 0.00 55.97 55.17 1x5x s LYS 80 Cb -0.10 -0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.60 1x5x s LYS 80 CO 0.03 -0.11 0.64 0.54 0.10 0.00 0.00 175.35 176.55 1x5x s VAL 81 N 0.80 5.08 -0.21 1.79 0.11 -1.26 -1.75 120.40 124.96 1x5x s VAL 81 Ca -0.06 1.31 0.02 0.00 -2.93 0.00 0.00 61.98 60.32 1x5x s VAL 81 Cb -0.07 -3.98 0.03 0.00 -1.53 0.00 0.00 36.38 30.84 1x5x s VAL 81 CO -0.05 0.26 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.18 1x5x s ILE 82 N 0.85 2.10 -0.30 7.04 1.01 -0.97 -2.21 121.20 128.72 1x5x s ILE 82 Ca 0.34 -1.20 -0.19 0.00 0.00 0.00 0.00 60.65 59.60 1x5x s ILE 82 Cb -0.17 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 1x5x s ILE 82 CO 0.15 0.33 0.57 0.00 0.00 0.00 0.00 174.94 175.99 1x5x s ALA 83 N 1.22 3.53 0.23 9.38 0.00 -1.26 0.19 121.76 135.05 1x5x s ALA 83 Ca -0.00 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.30 1x5x s ALA 83 Cb -0.16 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 1x5x s ALA 83 CO -0.10 -1.01 -0.07 1.52 0.00 0.00 0.00 175.76 176.09 1x5x s TYR 84 N 2.48 1.69 0.29 0.00 1.13 -0.60 -2.57 117.35 119.78 1x5x s TYR 84 Ca 0.23 -0.73 0.08 0.00 -1.41 0.00 0.00 57.07 55.23 1x5x s TYR 84 Cb -0.15 -0.91 -0.06 0.00 -1.10 0.00 0.00 41.96 39.74 1x5x s TYR 84 CO 0.11 0.19 -0.08 1.21 -2.51 0.00 0.00 175.55 174.47 1x5x s ASN 85 N -3.34 3.08 0.67 -0.18 2.47 0.55 -3.09 114.94 115.10 1x5x s ASN 85 Ca 0.25 -1.17 0.32 0.00 0.42 0.00 0.00 52.86 52.68 1x5x s ASN 85 Cb 0.03 -0.23 1.73 0.00 -1.45 0.00 0.00 41.25 41.33 1x5x s ASN 85 CO 0.08 -0.27 1.98 0.28 -3.72 0.00 0.00 177.10 175.45 1x5x h SER 86 N 2.22 0.00 0.07 -4.21 0.02 -1.98 0.68 113.55 110.35 1x5x h SER 86 Ca -0.40 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.43 1x5x h SER 86 Cb 1.24 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.79 1x5x h SER 86 CO 0.67 0.00 -0.53 -0.33 -1.14 0.00 0.00 176.83 175.51 1x5x h GLU 87 N 0.00 0.14 0.00 3.45 4.39 -1.97 -3.50 114.58 117.09 1x5x h GLU 87 Ca 0.00 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1x5x h GLU 87 Cb 0.59 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1x5x h GLU 87 CO -0.00 1.12 0.00 0.41 -1.16 0.00 0.00 179.01 179.38 1x5x n GLY 88 N 1.63 1.97 3.22 -3.84 0.00 0.23 -5.18 105.19 103.23 1x5x n GLY 88 Ca -0.14 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 1x5x n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5x s LYS 89 N 1.37 0.98 0.00 1.61 -2.85 -1.26 0.20 119.74 119.79 1x5x s LYS 89 Ca 0.00 -1.28 0.00 0.00 -1.00 0.00 0.00 55.97 53.69 1x5x s LYS 89 Cb 0.00 -0.69 0.00 0.00 -2.06 0.00 0.00 37.83 35.08 1x5x s LYS 89 CO 0.00 0.11 0.00 0.43 0.10 0.00 0.00 175.35 175.99 1x5x n SER 90 N 0.29 0.68 -4.80 0.03 7.64 -1.06 -4.95 113.62 111.45 1x5x n SER 90 Ca -0.14 -0.69 -0.34 0.00 1.01 0.00 0.00 58.87 58.71 1x5x n SER 90 Cb 0.58 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.74 1x5x n SER 90 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1x5x s ASN 91 N -0.79 6.48 0.69 6.43 2.20 -1.26 -4.83 114.94 123.85 1x5x s ASN 91 Ca 0.00 1.87 -0.11 0.00 -0.94 0.00 0.00 52.86 53.68 1x5x s ASN 91 Cb 0.00 -2.56 0.00 0.00 -2.00 0.00 0.00 41.25 36.70 1x5x s ASN 91 CO 0.00 -0.69 1.06 -2.16 -2.94 0.00 0.00 177.10 172.37 1x5x s PRO 92 N -3.23 2.98 0.69 3.55 0.04 -1.26 -4.58 135.00 133.19 1x5x s PRO 92 Ca 0.66 0.97 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 1x5x s PRO 92 Cb -0.15 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.50 1x5x s PRO 92 CO 0.18 -1.07 0.96 0.45 0.04 0.00 0.00 177.00 177.56 1x5x s SER 93 N -3.72 4.54 0.08 6.66 0.15 -0.94 -4.94 113.70 115.53 1x5x s SER 93 Ca 0.58 -0.19 -0.35 0.00 0.70 0.00 0.00 55.95 56.69 1x5x s SER 93 Cb -0.14 -0.31 -0.14 0.00 -1.71 0.00 0.00 66.02 63.71 1x5x s SER 93 CO 0.54 -1.71 1.56 -0.62 1.20 0.00 0.00 173.24 174.20 1x5x n GLU 94 N -2.77 1.83 -2.31 5.44 1.02 -1.26 -4.68 120.64 117.90 1x5x n GLU 94 Ca 0.13 0.66 -0.42 0.00 -0.02 0.00 0.00 57.16 57.50 1x5x n GLU 94 Cb 0.60 -2.40 -0.03 0.00 -0.02 0.00 0.00 31.44 29.60 1x5x n GLU 94 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1x5x s VAL 95 N 1.35 4.01 0.29 2.62 1.01 -1.26 -4.70 120.40 123.73 1x5x s VAL 95 Ca 0.83 1.30 0.06 0.00 0.00 0.00 0.00 61.98 64.17 1x5x s VAL 95 Cb -0.78 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 31.74 1x5x s VAL 95 CO 0.44 -0.06 0.37 0.68 0.00 0.00 0.00 175.10 176.53 1x5x s VAL 96 N 3.03 4.55 0.01 2.92 -7.23 0.18 -4.93 120.40 118.93 1x5x s VAL 96 Ca 0.60 -1.08 0.03 0.00 -1.81 0.00 0.00 61.98 59.72 1x5x s VAL 96 Cb -0.27 -3.57 -0.01 0.00 0.56 0.00 0.00 36.38 33.09 1x5x s VAL 96 CO 0.22 -0.25 -0.10 -0.70 -0.31 0.00 0.00 175.10 173.95 1x5x s GLU 97 N -4.04 0.79 0.23 4.82 -6.30 -1.26 -1.31 118.70 111.63 1x5x s GLU 97 Ca 0.39 -0.46 -0.04 0.00 -2.50 0.00 0.00 54.97 52.35 1x5x s GLU 97 Cb -0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 34.13 33.26 1x5x s GLU 97 CO 0.29 0.20 0.26 -0.06 0.02 0.00 0.00 175.26 175.97 1x5x s PHE 98 N -0.44 0.93 0.04 5.30 0.08 -1.04 -5.01 117.98 117.84 1x5x s PHE 98 Ca 0.02 -1.18 0.04 0.00 0.12 0.00 0.00 56.93 55.93 1x5x s PHE 98 Cb -0.05 -0.31 -0.02 0.00 -0.57 0.00 0.00 43.02 42.07 1x5x s PHE 98 CO 0.00 -0.78 -0.11 0.99 -0.10 0.00 0.00 175.22 175.21 1x5x s THR 99 N -4.03 0.89 0.70 0.64 2.01 -1.26 -2.06 115.64 112.52 1x5x s THR 99 Ca 0.34 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.36 1x5x s THR 99 Cb 0.04 -0.84 0.12 0.00 0.01 0.00 0.00 72.50 71.83 1x5x s THR 99 CO 0.12 -0.12 0.96 0.42 -0.69 0.00 0.00 174.62 175.32 1x5x s THR 100 N -0.96 2.18 0.37 -0.82 -4.23 0.11 -4.85 115.64 107.43 1x5x s THR 100 Ca -0.02 -0.63 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 1x5x s THR 100 Cb -0.08 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 1x5x s THR 100 CO 0.01 0.00 0.56 0.00 -0.54 0.00 0.00 174.62 174.65 1x5x s PRO 102 N -4.34 2.76 -0.18 0.00 0.04 -1.26 -0.38 135.00 131.64 1x5x s PRO 102 Ca 0.43 0.89 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 1x5x s PRO 102 Cb -0.10 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1x5x s PRO 102 CO 0.35 -1.21 -0.05 0.34 0.04 0.00 0.00 177.00 176.47 1x5x s ASP 103 N -3.81 4.51 0.19 6.66 2.15 -1.26 -4.80 116.67 120.30 1x5x s ASP 103 Ca 0.59 -0.25 0.00 0.00 0.43 0.00 0.00 52.55 53.31 1x5x s ASP 103 Cb -0.14 -1.74 0.00 0.00 -0.30 0.00 0.00 42.92 40.73 1x5x s ASP 103 CO 0.55 0.10 0.00 -1.20 -0.17 0.00 0.00 175.17 174.45 1x5x n SER 104 N 4.01 0.22 0.00 -0.34 7.64 -1.26 -5.09 113.62 118.80 1x5x n SER 104 Ca -0.18 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1x5x n SER 104 Cb 0.52 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1x5x n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5x n GLY 105 N 2.16 2.30 3.58 0.23 0.00 -1.26 -5.09 105.19 107.12 1x5x n GLY 105 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1x5x n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5x s PRO 106 N -2.00 3.33 -0.05 1.61 0.04 -1.26 -4.79 135.00 131.88 1x5x s PRO 106 Ca 0.00 0.66 -0.08 0.00 0.04 0.00 0.00 61.00 61.62 1x5x s PRO 106 Cb 0.00 -4.12 -0.03 0.00 0.04 0.00 0.00 34.50 30.39 1x5x s PRO 106 CO 0.00 -1.88 -0.17 0.45 0.04 0.00 0.00 177.00 175.44 1x5x n SER 107 N 9.63 1.39 -3.57 6.66 2.88 -1.26 -4.98 113.62 124.36 1x5x n SER 107 Ca 0.15 0.22 -0.29 0.00 -1.33 0.00 0.00 58.87 57.61 1x5x n SER 107 Cb 0.49 -0.50 -0.15 0.00 -0.75 0.00 0.00 64.21 63.30 1x5x n SER 107 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5x s SER 108 N -6.00 3.60 0.00 -3.46 1.04 -1.26 -5.33 113.70 102.29 1x5x s SER 108 Ca -0.15 -1.39 0.11 0.00 0.48 0.00 0.00 55.95 55.01 1x5x s SER 108 Cb 0.03 -0.44 0.09 0.00 0.10 0.00 0.00 66.02 65.79 1x5x s SER 108 CO 0.21 -0.43 0.84 0.61 0.98 0.00 0.00 173.24 175.45