#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 6.69 0.37 1.61 0.15 -1.26 -4.98 113.70 116.28 1x5x s SER 2 Ca 0.00 2.33 -0.24 0.00 0.70 0.00 0.00 55.95 58.74 1x5x s SER 2 Cb 0.00 -2.56 -0.10 0.00 -1.71 0.00 0.00 66.02 61.65 1x5x s SER 2 CO 0.00 -0.84 0.95 -0.44 1.20 0.00 0.00 173.24 174.11 1x5x s SER 3 N 2.40 7.15 0.00 5.45 0.01 -1.26 -4.97 113.70 122.48 1x5x s SER 3 Ca 0.71 1.78 0.00 0.00 1.31 0.00 0.00 55.95 59.75 1x5x s SER 3 Cb -0.36 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.31 1x5x s SER 3 CO 0.30 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.35 1x5x n GLY 4 N 0.03 2.65 2.89 3.44 0.00 -1.26 -5.15 105.19 107.79 1x5x n GLY 4 Ca 0.04 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.98 1x5x n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5x s SER 5 N 0.00 -0.51 -0.24 1.61 0.01 -1.26 -5.12 113.70 108.19 1x5x s SER 5 Ca 0.00 -0.20 -0.05 0.00 1.31 0.00 0.00 55.95 57.01 1x5x s SER 5 Cb 0.00 0.76 -0.01 0.00 0.21 0.00 0.00 66.02 66.98 1x5x s SER 5 CO 0.00 -0.06 0.00 -0.94 0.41 0.00 0.00 173.24 172.65 1x5x s SER 6 N 2.12 4.63 0.00 2.44 1.04 -1.26 -4.68 113.70 117.99 1x5x s SER 6 Ca 0.17 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1x5x s SER 6 Cb 0.01 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.33 1x5x s SER 6 CO -0.15 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1x5x n GLY 7 N 4.84 1.30 3.79 7.32 0.00 -1.22 -4.97 105.19 116.25 1x5x n GLY 7 Ca -0.17 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 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 4.14 1.22 0.50 1.61 0.04 -1.26 -4.91 135.00 136.34 1x5x s PRO 8 Ca 0.00 0.31 -0.08 0.00 0.04 0.00 0.00 61.00 61.27 1x5x s PRO 8 Cb 0.00 -1.85 0.13 0.00 0.04 0.00 0.00 34.50 32.82 1x5x s PRO 8 CO 0.00 -2.15 0.42 0.43 0.04 0.00 0.00 177.00 175.74 1x5x n SER 9 N -3.74 -1.69 -4.66 6.66 7.64 -1.26 -4.72 113.62 111.86 1x5x n SER 9 Ca 0.07 -0.69 -0.43 0.00 1.01 0.00 0.00 58.87 58.83 1x5x n SER 9 Cb 0.59 -0.40 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 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 -3.96 4.25 0.86 1.43 1.75 -1.26 -4.73 119.30 117.64 1x5x s MET 10 Ca 0.28 1.33 -0.12 0.00 -1.25 0.00 0.00 55.69 55.93 1x5x s MET 10 Cb -0.03 -3.64 0.11 0.00 2.84 0.00 0.00 34.83 34.10 1x5x s MET 10 CO 0.22 -0.63 1.12 -1.25 -0.65 0.00 0.00 175.02 173.83 1x5x s PRO 11 N 3.19 1.57 0.12 4.11 0.04 -1.26 -4.03 135.00 138.73 1x5x s PRO 11 Ca 0.44 0.45 -0.27 0.00 0.04 0.00 0.00 61.00 61.66 1x5x s PRO 11 Cb -0.15 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 1x5x s PRO 11 CO 0.06 -1.93 0.82 0.00 0.04 0.00 0.00 177.00 175.99 1x5x s ALA 12 N -3.22 3.37 0.48 8.56 0.00 -1.25 -4.69 121.76 125.01 1x5x s ALA 12 Ca 0.62 0.40 -0.20 0.00 0.00 0.00 0.00 51.96 52.78 1x5x s ALA 12 Cb -0.15 -3.06 -0.12 0.00 0.00 0.00 0.00 23.12 19.80 1x5x s ALA 12 CO 0.54 0.14 0.41 0.43 0.00 0.00 0.00 175.76 177.28 1x5x n SER 13 N 2.26 -1.47 -4.69 0.00 7.64 -1.26 -4.15 113.62 111.95 1x5x n SER 13 Ca -0.03 0.81 -0.42 0.00 1.01 0.00 0.00 58.87 60.25 1x5x n SER 13 Cb 0.49 -1.08 -0.03 0.00 -1.01 0.00 0.00 64.21 62.59 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 -1.60 4.37 0.73 1.43 0.04 -1.26 -4.72 135.00 133.98 1x5x s PRO 14 Ca 0.64 1.71 -0.09 0.00 0.04 0.00 0.00 61.00 63.30 1x5x s PRO 14 Cb -0.54 -3.51 0.16 0.00 0.04 0.00 0.00 34.50 30.65 1x5x s PRO 14 CO 0.58 -0.40 0.99 1.33 0.04 0.00 0.00 177.00 179.55 1x5x n VAL 15 N 4.44 0.00 -3.58 -0.36 0.24 0.18 -4.76 118.33 114.50 1x5x n VAL 15 Ca 0.10 -0.98 -0.29 0.00 -2.04 0.00 0.00 64.34 61.14 1x5x n VAL 15 Cb 0.46 -1.37 -0.12 0.00 -1.47 0.00 0.00 33.84 31.34 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 1.97 0.08 1.34 2.96 -1.26 -1.48 118.68 122.28 1x5x s LEU 16 Ca 0.59 -2.60 -0.29 0.00 -0.22 0.00 0.00 54.13 51.61 1x5x s LEU 16 Cb -0.02 -0.73 -0.17 0.00 0.50 0.00 0.00 46.19 45.76 1x5x s LEU 16 CO 0.41 -0.26 1.67 0.71 -1.32 0.00 0.00 176.35 177.56 1x5x h THR 17 N 5.02 0.58 -3.88 3.68 1.35 -1.57 -3.45 112.91 114.64 1x5x h THR 17 Ca 0.07 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.58 1x5x h THR 17 Cb 0.93 0.58 -0.20 0.00 -1.73 0.00 0.00 68.15 67.73 1x5x h THR 17 CO 0.40 0.00 -0.75 -0.75 -0.25 0.00 0.00 175.52 174.16 1x5x s LYS 18 N -6.11 0.75 -0.05 4.72 2.20 -1.12 -5.06 119.74 115.07 1x5x s LYS 18 Ca -0.16 -0.97 0.06 0.00 -0.36 0.00 0.00 55.97 54.54 1x5x s LYS 18 Cb 0.04 -0.59 -0.01 0.00 -1.51 0.00 0.00 37.83 35.76 1x5x s LYS 18 CO 0.64 0.11 -0.23 0.00 -0.36 0.00 0.00 175.35 175.51 1x5x s ALA 19 N -1.68 1.99 0.31 3.13 0.00 -1.26 -1.49 121.76 122.76 1x5x s ALA 19 Ca -0.02 -0.96 0.10 0.00 0.00 0.00 0.00 51.96 51.09 1x5x s ALA 19 Cb -0.08 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.37 1x5x s ALA 19 CO 0.01 0.39 -0.08 0.20 0.00 0.00 0.00 175.76 176.28 1x5x s GLY 20 N -0.14 2.00 0.21 0.00 0.00 0.17 -4.69 107.32 104.88 1x5x s GLY 20 Ca -0.03 -1.94 -0.03 0.00 0.00 0.00 0.00 44.72 42.73 1x5x s GLY 20 CO 0.03 -1.94 1.58 -2.22 0.00 0.00 0.00 173.10 170.55 1x5x h ILE 21 N 2.01 1.29 0.00 0.90 2.04 -1.90 -2.98 117.51 118.87 1x5x h ILE 21 Ca -0.42 -1.54 -0.03 0.00 1.00 0.00 0.00 64.86 63.87 1x5x h ILE 21 Cb 1.25 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 38.76 1x5x h ILE 21 CO 0.65 0.49 -0.43 0.35 0.00 0.00 0.00 178.15 179.21 1x5x n THR 22 N -4.04 0.94 -3.58 -0.27 -2.24 -1.26 -2.77 114.28 101.06 1x5x n THR 22 Ca -0.02 -1.39 -0.11 0.00 -2.27 0.00 0.00 64.05 60.27 1x5x n THR 22 Cb 0.51 0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.41 -0.30 -0.14 4.78 1.48 -1.24 -2.71 118.94 119.40 1x5x s TRP 23 Ca 0.22 0.03 -0.05 0.00 -1.06 0.00 0.00 56.10 55.24 1x5x s TRP 23 Cb 0.21 0.34 0.07 0.00 -1.16 0.00 0.00 33.47 32.93 1x5x s TRP 23 CO -0.03 -0.74 0.27 -0.51 -4.06 0.00 0.00 176.95 171.88 1x5x s LEU 24 N -2.75 -0.31 -0.57 -4.66 1.43 -0.55 0.45 118.68 111.71 1x5x s LEU 24 Ca 0.02 0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 53.50 1x5x s LEU 24 Cb 0.01 0.72 0.11 0.00 0.03 0.00 0.00 46.19 47.06 1x5x s LEU 24 CO -0.12 -0.25 0.63 -0.44 0.23 0.00 0.00 176.35 176.41 1x5x s SER 25 N 2.43 6.19 0.56 2.29 0.01 -0.55 0.08 113.70 124.71 1x5x s SER 25 Ca 0.02 -1.57 0.04 0.00 1.31 0.00 0.00 55.95 55.75 1x5x s SER 25 Cb -0.12 -2.27 0.06 0.00 0.21 0.00 0.00 66.02 63.90 1x5x s SER 25 CO -0.09 -1.02 0.78 -0.76 0.41 0.00 0.00 173.24 172.55 1x5x s LEU 26 N 2.30 3.27 -0.24 2.44 1.43 -1.01 -1.53 118.68 125.33 1x5x s LEU 26 Ca 0.08 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 52.75 1x5x s LEU 26 Cb -0.26 -2.36 0.12 0.00 0.03 0.00 0.00 46.19 43.71 1x5x s LEU 26 CO 0.05 -1.25 0.50 -1.10 0.23 0.00 0.00 176.35 174.78 1x5x s GLN 27 N -4.73 0.43 0.34 1.70 -1.52 -0.55 -3.60 119.66 111.74 1x5x s GLN 27 Ca 0.60 1.10 0.09 0.00 -1.95 0.00 0.00 55.36 55.20 1x5x s GLN 27 Cb -0.08 0.42 -0.06 0.00 -0.22 0.00 0.00 33.01 33.06 1x5x s GLN 27 CO 0.39 -0.32 -0.09 1.67 -0.25 0.00 0.00 175.29 176.68 1x5x s TRP 28 N 2.72 2.37 0.33 0.91 -2.14 -1.20 0.50 118.94 122.43 1x5x s TRP 28 Ca 0.01 -0.52 0.05 0.00 2.66 0.00 0.00 56.10 58.30 1x5x s TRP 28 Cb -0.13 -1.37 -0.06 0.00 -3.10 0.00 0.00 33.47 28.81 1x5x s TRP 28 CO -0.16 0.55 0.03 -1.12 -2.66 0.00 0.00 176.95 173.60 1x5x s SER 29 N -3.60 2.62 0.86 -2.66 0.01 -1.26 -4.62 113.70 105.06 1x5x s SER 29 Ca 0.32 -1.34 -0.11 0.00 1.31 0.00 0.00 55.95 56.13 1x5x s SER 29 Cb 0.03 -0.14 0.11 0.00 0.21 0.00 0.00 66.02 66.23 1x5x s SER 29 CO 0.16 -0.54 1.10 -1.59 0.41 0.00 0.00 173.24 172.78 1x5x s LYS 30 N -3.84 1.53 0.28 12.44 -2.85 -1.26 -3.78 119.74 122.25 1x5x s LYS 30 Ca 0.35 1.09 -0.05 0.00 -1.00 0.00 0.00 55.97 56.36 1x5x s LYS 30 Cb 0.08 -1.82 0.07 0.00 -2.06 0.00 0.00 37.83 34.10 1x5x s LYS 30 CO 0.15 -2.13 0.31 -0.35 0.10 0.00 0.00 175.35 173.43 1x5x n PRO 31 N -3.84 -0.93 -3.60 1.78 -0.04 -1.26 -4.32 135.00 122.78 1x5x n PRO 31 Ca 0.08 -0.48 -0.38 0.00 -0.04 0.00 0.00 63.50 62.68 1x5x n PRO 31 Cb 0.54 -0.38 -0.11 0.00 -0.04 0.00 0.00 33.50 33.51 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 -2.24 5.91 -0.19 3.54 0.01 -1.26 -4.63 113.70 114.84 1x5x s SER 32 Ca 0.18 -0.12 -0.06 0.00 1.31 0.00 0.00 55.95 57.27 1x5x s SER 32 Cb -0.01 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 64.13 1x5x s SER 32 CO 0.14 -0.08 0.25 0.61 0.41 0.00 0.00 173.24 174.57 1x5x n GLY 33 N 5.05 -0.93 3.82 3.44 0.00 -1.26 -4.50 105.19 110.80 1x5x n GLY 33 Ca -0.14 0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.78 4.03 0.09 2.61 -4.23 -1.26 -4.41 115.64 110.68 1x5x s THR 34 Ca 0.10 0.83 -0.13 0.00 -1.18 0.00 0.00 61.69 61.31 1x5x s THR 34 Cb -0.03 -3.46 -0.20 0.00 1.34 0.00 0.00 72.50 70.15 1x5x s THR 34 CO 0.32 -0.70 1.24 1.55 -0.54 0.00 0.00 174.62 176.49 1x5x h PRO 35 N 0.02 0.71 -5.69 3.99 0.13 -1.95 -3.46 132.00 125.74 1x5x h PRO 35 Ca -0.45 -0.70 -0.55 0.00 -0.87 0.00 0.00 66.00 63.42 1x5x h PRO 35 Cb 1.21 0.18 -0.14 0.00 0.13 0.00 0.00 31.00 32.39 1x5x h PRO 35 CO 0.58 1.29 -0.67 -1.54 -0.23 0.00 0.00 178.00 177.43 1x5x s SER 36 N -7.22 3.22 0.10 1.44 1.04 -1.26 -5.06 113.70 105.97 1x5x s SER 36 Ca -0.10 -1.21 -0.32 0.00 0.48 0.00 0.00 55.95 54.80 1x5x s SER 36 Cb 0.08 -0.25 -0.12 0.00 0.10 0.00 0.00 66.02 65.82 1x5x s SER 36 CO 0.91 -0.30 1.59 0.44 0.98 0.00 0.00 173.24 176.86 1x5x h ASP 37 N 2.14 -1.18 -5.28 7.02 3.32 -2.04 -3.46 116.42 116.93 1x5x h ASP 37 Ca -0.41 0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.66 1x5x h ASP 37 Cb 1.24 0.42 -0.08 0.00 0.22 0.00 0.00 39.33 41.13 1x5x h ASP 37 CO 0.69 -0.53 -0.11 -1.61 -1.72 0.00 0.00 179.24 175.97 1x5x s GLU 38 N -5.93 1.66 0.00 3.56 0.41 -1.26 -4.97 118.70 112.16 1x5x s GLU 38 Ca -0.17 -1.36 0.00 0.00 -0.41 0.00 0.00 54.97 53.04 1x5x s GLU 38 Cb 0.06 0.48 0.00 0.00 -1.78 0.00 0.00 34.13 32.89 1x5x s GLU 38 CO 0.63 -0.70 0.00 0.41 -0.49 0.00 0.00 175.26 175.11 1x5x n GLY 39 N -0.42 1.69 3.86 -1.39 0.00 -1.26 -5.12 105.19 102.55 1x5x n GLY 39 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 5.33 0.08 -0.61 1.01 -1.26 -4.78 121.20 118.97 1x5x s ILE 40 Ca 0.00 0.45 0.09 0.00 0.00 0.00 0.00 60.65 61.18 1x5x s ILE 40 Cb 0.00 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1x5x s ILE 40 CO 0.00 0.60 -0.22 -0.44 0.00 0.00 0.00 174.94 174.88 1x5x s SER 41 N -1.03 2.72 -0.15 3.58 0.01 -1.21 -4.66 113.70 112.96 1x5x s SER 41 Ca 0.18 -0.63 0.02 0.00 1.31 0.00 0.00 55.95 56.83 1x5x s SER 41 Cb -0.14 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 65.91 1x5x s SER 41 CO 0.07 0.13 -0.20 -0.31 0.41 0.00 0.00 173.24 173.34 1x5x s TYR 42 N -0.99 2.72 -0.34 2.43 1.51 -1.10 -1.64 117.35 119.94 1x5x s TYR 42 Ca 0.09 -1.38 -0.15 0.00 -1.01 0.00 0.00 57.07 54.61 1x5x s TYR 42 Cb -0.10 -1.86 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 1x5x s TYR 42 CO 0.04 -0.65 0.37 0.42 -1.11 0.00 0.00 175.55 174.61 1x5x s ILE 43 N 0.95 5.16 0.22 2.71 1.01 0.10 -4.06 121.20 127.30 1x5x s ILE 43 Ca -0.04 0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 1x5x s ILE 43 Cb -0.15 -3.81 -0.08 0.00 0.01 0.00 0.00 42.46 38.42 1x5x s ILE 43 CO -0.05 -0.08 1.07 -0.22 0.00 0.00 0.00 174.94 175.66 1x5x s LEU 44 N 2.03 4.54 0.32 2.97 2.96 -1.19 -2.60 118.68 127.72 1x5x s LEU 44 Ca 0.12 2.12 0.10 0.00 -0.22 0.00 0.00 54.13 56.24 1x5x s LEU 44 Cb -0.16 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 42.86 1x5x s LEU 44 CO 0.12 -0.12 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.36 1x5x s GLU 45 N -0.87 1.96 -0.23 1.98 2.02 -1.09 -1.66 118.70 120.80 1x5x s GLU 45 Ca 0.46 -1.77 -0.17 0.00 0.02 0.00 0.00 54.97 53.51 1x5x s GLU 45 Cb -0.29 -1.86 0.07 0.00 0.10 0.00 0.00 34.13 32.14 1x5x s GLU 45 CO 0.36 0.19 0.59 1.41 0.02 0.00 0.00 175.26 177.84 1x5x s MET 46 N -3.65 0.64 -0.19 1.61 -2.45 0.24 -3.45 119.30 112.07 1x5x s MET 46 Ca 0.33 0.96 0.00 0.00 -1.25 0.00 0.00 55.69 55.73 1x5x s MET 46 Cb -0.01 0.20 0.01 0.00 1.25 0.00 0.00 34.83 36.28 1x5x s MET 46 CO 0.18 -0.12 -0.17 -2.00 1.05 0.00 0.00 175.02 173.96 1x5x s GLU 47 N 0.99 3.08 0.00 4.11 2.12 -1.25 -0.44 118.70 127.32 1x5x s GLU 47 Ca -0.05 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.49 1x5x s GLU 47 Cb -0.05 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.68 1x5x s GLU 47 CO -0.09 -0.19 0.00 -1.91 -0.54 0.00 0.00 175.26 172.53 1x5x n GLU 48 N 4.60 0.00 -1.26 4.30 0.00 -1.26 -3.83 120.64 123.19 1x5x n GLU 48 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.57 1x5x n GLU 48 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 31.44 31.96 1x5x n GLU 48 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1x5x n GLU 49 N 0.00 0.09 -3.58 5.31 4.07 -1.26 0.16 120.64 125.43 1x5x n GLU 49 Ca 0.00 0.04 -0.24 0.00 -0.06 0.00 0.00 57.16 56.90 1x5x n GLU 49 Cb 0.00 -1.15 0.01 0.00 -0.06 0.00 0.00 31.44 30.24 1x5x n GLU 49 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1x5x n THR 50 N -1.66 -2.89 -3.97 6.31 -2.24 -1.26 -1.15 114.28 107.42 1x5x n THR 50 Ca 0.08 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.48 1x5x n THR 50 Cb 0.48 -2.59 0.01 0.00 -2.10 0.00 0.00 70.33 66.13 1x5x n THR 50 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1x5x n SER 51 N -1.91 -4.12 0.00 3.42 3.41 -1.12 -4.11 113.62 109.19 1x5x n SER 51 Ca -0.26 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 1x5x n SER 51 Cb 0.61 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 1x5x n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5x n GLY 52 N -1.91 0.55 3.02 5.00 0.00 0.42 -4.83 105.19 107.44 1x5x n GLY 52 Ca -0.17 0.60 -0.01 0.00 0.00 0.00 0.00 46.02 46.44 1x5x n GLY 52 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x5x n TYR 53 N 0.00 -1.08 -0.72 1.61 4.01 -1.26 -4.39 117.16 115.33 1x5x n TYR 53 Ca 0.00 0.56 0.04 0.00 -0.16 0.00 0.00 57.90 58.33 1x5x n TYR 53 Cb 0.00 -1.75 -0.02 0.00 -0.31 0.00 0.00 39.34 37.25 1x5x n TYR 53 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x5x n GLY 54 N 1.72 -3.22 3.84 2.72 0.00 -1.26 -4.92 105.19 104.07 1x5x n GLY 54 Ca -0.05 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 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 -4.19 3.69 0.05 1.61 0.40 -1.26 -4.64 117.98 113.63 1x5x s PHE 55 Ca 0.00 0.90 0.05 0.00 -0.60 0.00 0.00 56.93 57.29 1x5x s PHE 55 Cb 0.00 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.25 1x5x s PHE 55 CO 0.00 0.63 -0.11 0.15 0.70 0.00 0.00 175.22 176.59 1x5x s LYS 56 N -0.96 2.30 1.03 0.44 -0.14 0.42 -4.85 119.74 117.98 1x5x s LYS 56 Ca 0.22 -0.88 -0.16 0.00 -1.36 0.00 0.00 55.97 53.79 1x5x s LYS 56 Cb -0.16 -2.36 0.21 0.00 -1.68 0.00 0.00 37.83 33.85 1x5x s LYS 56 CO 0.11 0.56 1.20 -1.25 -0.76 0.00 0.00 175.35 175.21 1x5x s PRO 57 N -1.68 0.12 0.00 -1.68 0.04 -1.26 0.82 135.00 131.36 1x5x s PRO 57 Ca 0.18 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1x5x s PRO 57 Cb -0.11 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1x5x s PRO 57 CO 0.09 -2.81 0.00 1.17 0.04 0.00 0.00 177.00 175.49 1x5x n LYS 58 N -4.12 0.00 -4.32 4.56 4.81 -0.67 -4.74 118.16 113.69 1x5x n LYS 58 Ca 0.12 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.33 1x5x n LYS 58 Cb 0.59 -0.02 -0.08 0.00 0.02 0.00 0.00 35.03 35.54 1x5x n LYS 58 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1x5x s TYR 59 N -1.64 2.61 -0.43 5.64 5.04 -1.23 -4.98 117.35 122.35 1x5x s TYR 59 Ca 0.00 -0.27 -0.00 0.00 -2.44 0.00 0.00 57.07 54.36 1x5x s TYR 59 Cb 0.00 -1.21 0.20 0.00 0.35 0.00 0.00 41.96 41.31 1x5x s TYR 59 CO 0.00 0.61 0.92 0.34 -1.34 0.00 0.00 175.55 176.08 1x5x s ASP 60 N -3.66 -0.85 0.31 4.32 2.15 -1.26 -3.15 116.67 114.53 1x5x s ASP 60 Ca 0.32 -1.01 -0.07 0.00 0.43 0.00 0.00 52.55 52.21 1x5x s ASP 60 Cb -0.05 1.12 0.01 0.00 -0.30 0.00 0.00 42.92 43.69 1x5x s ASP 60 CO 0.19 -0.03 0.50 -0.83 -0.17 0.00 0.00 175.17 174.83 1x5x s GLY 61 N 0.94 1.07 -0.49 2.66 0.00 -1.26 -5.03 107.32 105.20 1x5x s GLY 61 Ca 0.27 -1.24 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 1x5x s GLY 61 CO -0.08 -0.82 2.04 -1.84 0.00 0.00 0.00 173.10 172.40 1x5x n GLU 62 N -0.49 2.24 -4.21 2.90 0.28 -1.26 -2.73 120.64 117.37 1x5x n GLU 62 Ca -0.01 -2.42 -0.30 0.00 -0.16 0.00 0.00 57.16 54.27 1x5x n GLU 62 Cb 0.62 -1.95 -0.09 0.00 1.43 0.00 0.00 31.44 31.44 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 -0.80 4.59 -0.47 -1.84 1.01 -1.26 -4.99 116.67 112.91 1x5x s ASP 63 Ca 0.48 -0.31 0.03 0.00 0.71 0.00 0.00 52.55 53.46 1x5x s ASP 63 Cb 0.37 -0.95 0.61 0.00 1.01 0.00 0.00 42.92 43.96 1x5x s ASP 63 CO -0.01 0.18 1.88 0.18 0.21 0.00 0.00 175.17 177.61 1x5x n LEU 64 N 0.71 6.60 -3.62 1.23 4.77 -1.26 -4.69 117.00 120.74 1x5x n LEU 64 Ca -0.13 -3.78 -0.08 0.00 -0.03 0.00 0.00 56.01 51.99 1x5x n LEU 64 Cb 0.52 -0.83 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 1x5x n LEU 64 CO 0.35 1.18 0.86 0.00 -1.33 0.00 0.00 177.39 178.44 1x5x s ALA 65 N -3.40 -2.01 -0.05 -1.18 0.00 -1.26 -3.22 121.76 110.63 1x5x s ALA 65 Ca 0.57 1.74 -0.20 0.00 0.00 0.00 0.00 51.96 54.08 1x5x s ALA 65 Cb 0.48 -1.23 0.04 0.00 0.00 0.00 0.00 23.12 22.41 1x5x s ALA 65 CO 0.07 -0.24 0.44 -0.47 0.00 0.00 0.00 175.76 175.56 1x5x s TYR 66 N -0.42 -0.37 -0.51 0.00 5.04 -1.24 -5.06 117.35 114.79 1x5x s TYR 66 Ca 0.03 0.68 -0.06 0.00 -2.44 0.00 0.00 57.07 55.27 1x5x s TYR 66 Cb -0.03 0.20 0.13 0.00 0.35 0.00 0.00 41.96 42.61 1x5x s TYR 66 CO -0.05 -0.43 0.36 0.99 -1.34 0.00 0.00 175.55 175.08 1x5x s THR 67 N -1.02 3.95 0.65 4.34 2.01 -1.26 -2.40 115.64 121.91 1x5x s THR 67 Ca -0.11 -2.16 -0.18 0.00 0.31 0.00 0.00 61.69 59.56 1x5x s THR 67 Cb -0.03 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 1x5x s THR 67 CO 0.05 -0.79 1.27 -0.69 -0.69 0.00 0.00 174.62 173.77 1x5x s VAL 68 N 0.91 2.13 0.13 3.82 1.01 0.11 -4.78 120.40 123.73 1x5x s VAL 68 Ca 0.10 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1x5x s VAL 68 Cb -0.23 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.17 1x5x s VAL 68 CO -0.03 -0.02 0.15 0.29 0.00 0.00 0.00 175.10 175.49 1x5x n LYS 69 N -1.99 0.21 -3.61 2.72 5.02 -1.26 -1.48 118.16 117.77 1x5x n LYS 69 Ca 0.15 -1.21 -0.29 0.00 -2.02 0.00 0.00 58.31 54.94 1x5x n LYS 69 Cb 0.49 1.06 0.05 0.00 -0.02 0.00 0.00 35.03 36.61 1x5x n LYS 69 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1x5x n ASN 70 N -2.24 -5.55 -1.07 4.39 4.13 -1.10 -4.86 115.26 108.95 1x5x n ASN 70 Ca 0.02 -0.97 0.00 0.00 1.68 0.00 0.00 54.58 55.31 1x5x n ASN 70 Cb 0.23 -3.67 0.00 0.00 -1.54 0.00 0.00 39.78 34.81 1x5x n ASN 70 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x5x n LEU 71 N -4.04 0.00 -4.27 3.41 4.77 -1.18 -5.04 117.00 110.66 1x5x n LEU 71 Ca -0.09 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.72 1x5x n LEU 71 Cb 0.59 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 1x5x n LEU 71 CO 0.66 0.00 -0.44 -0.13 -1.33 0.00 0.00 177.39 176.15 1x5x s ARG 72 N -0.69 1.10 0.24 3.23 0.52 -1.25 -4.75 118.95 117.35 1x5x s ARG 72 Ca 0.00 -1.35 -0.30 0.00 -0.52 0.00 0.00 55.73 53.56 1x5x s ARG 72 Cb 0.00 -0.92 -0.09 0.00 0.52 0.00 0.00 34.95 34.46 1x5x s ARG 72 CO 0.00 0.16 1.09 -0.98 0.02 0.00 0.00 175.30 175.59 1x5x s ARG 73 N -3.05 4.64 -0.54 3.54 1.70 -1.11 -4.12 118.95 120.02 1x5x s ARG 73 Ca 0.13 1.75 -0.27 0.00 -0.47 0.00 0.00 55.73 56.87 1x5x s ARG 73 Cb -0.03 -3.22 0.04 0.00 -0.57 0.00 0.00 34.95 31.17 1x5x s ARG 73 CO 0.03 0.19 0.65 0.45 -1.08 0.00 0.00 175.30 175.55 1x5x n SER 74 N 1.60 -5.71 -3.74 -2.89 2.88 -1.07 -4.95 113.62 99.74 1x5x n SER 74 Ca 0.00 -0.25 -0.13 0.00 -1.33 0.00 0.00 58.87 57.16 1x5x n SER 74 Cb 0.45 -2.18 -0.10 0.00 -0.75 0.00 0.00 64.21 61.63 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 -1.96 -0.00 0.36 2.46 2.01 -1.26 -4.96 115.64 112.29 1x5x s THR 75 Ca 0.28 0.01 -0.25 0.00 0.31 0.00 0.00 61.69 62.04 1x5x s THR 75 Cb -0.03 -0.52 -0.09 0.00 0.01 0.00 0.00 72.50 71.86 1x5x s THR 75 CO 0.87 0.00 1.01 -0.54 -0.69 0.00 0.00 174.62 175.27 1x5x s LYS 76 N 0.27 4.37 -0.08 4.92 1.02 -1.26 -3.48 119.74 125.50 1x5x s LYS 76 Ca -0.01 1.44 -0.20 0.00 0.02 0.00 0.00 55.97 57.23 1x5x s LYS 76 Cb -0.03 -2.67 0.04 0.00 -0.52 0.00 0.00 37.83 34.65 1x5x s LYS 76 CO -0.00 0.05 0.47 0.71 -0.92 0.00 0.00 175.35 175.66 1x5x s TYR 77 N -1.63 -0.43 0.29 3.18 2.02 -0.96 -5.03 117.35 114.80 1x5x s TYR 77 Ca 0.54 0.85 0.07 0.00 -0.37 0.00 0.00 57.07 58.16 1x5x s TYR 77 Cb -0.21 0.21 -0.03 0.00 -0.40 0.00 0.00 41.96 41.53 1x5x s TYR 77 CO 0.26 -0.41 0.26 0.15 -1.57 0.00 0.00 175.55 174.25 1x5x s LYS 78 N -0.76 2.86 -0.28 -0.62 1.02 -1.25 -1.96 119.74 118.75 1x5x s LYS 78 Ca -0.08 -1.15 -0.22 0.00 0.02 0.00 0.00 55.97 54.54 1x5x s LYS 78 Cb -0.03 -2.55 0.09 0.00 -0.52 0.00 0.00 37.83 34.82 1x5x s LYS 78 CO 0.05 0.24 0.82 -0.06 -0.92 0.00 0.00 175.35 175.48 1x5x s PHE 79 N -2.21 -0.76 -0.04 3.18 0.08 -0.78 -3.83 117.98 113.62 1x5x s PHE 79 Ca 0.37 1.70 -0.01 0.00 0.12 0.00 0.00 56.93 59.11 1x5x s PHE 79 Cb -0.07 0.39 0.03 0.00 -0.57 0.00 0.00 43.02 42.81 1x5x s PHE 79 CO 0.26 -0.37 0.08 -1.59 -0.10 0.00 0.00 175.22 173.50 1x5x s LYS 80 N 0.77 -0.02 -0.01 0.44 -2.85 -1.22 -0.98 119.74 115.88 1x5x s LYS 80 Ca -0.03 0.32 -0.30 0.00 -1.00 0.00 0.00 55.97 54.96 1x5x s LYS 80 Cb -0.05 -0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 35.39 1x5x s LYS 80 CO -0.08 -0.23 1.00 0.54 0.10 0.00 0.00 175.35 176.68 1x5x s VAL 81 N 1.53 4.80 -0.19 1.79 0.11 -1.26 -2.68 120.40 124.50 1x5x s VAL 81 Ca -0.04 2.02 0.01 0.00 -2.93 0.00 0.00 61.98 61.04 1x5x s VAL 81 Cb -0.12 -4.29 0.03 0.00 -1.53 0.00 0.00 36.38 30.47 1x5x s VAL 81 CO -0.04 0.14 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.10 1x5x s ILE 82 N 1.14 1.86 -0.35 7.04 1.01 -1.07 -1.72 121.20 129.10 1x5x s ILE 82 Ca 0.52 -1.03 -0.17 0.00 0.00 0.00 0.00 60.65 59.97 1x5x s ILE 82 Cb -0.21 -1.82 -0.00 0.00 0.01 0.00 0.00 42.46 40.43 1x5x s ILE 82 CO 0.27 0.30 0.44 0.00 0.00 0.00 0.00 174.94 175.95 1x5x s ALA 83 N 1.33 3.48 0.31 9.38 0.00 -1.26 0.03 121.76 135.02 1x5x s ALA 83 Ca 0.00 -1.14 0.10 0.00 0.00 0.00 0.00 51.96 50.92 1x5x s ALA 83 Cb -0.15 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 1x5x s ALA 83 CO -0.10 -1.19 -0.08 1.52 0.00 0.00 0.00 175.76 175.92 1x5x s TYR 84 N 2.21 2.47 0.10 0.00 -0.85 -0.65 -3.45 117.35 117.19 1x5x s TYR 84 Ca 0.15 -0.37 0.09 0.00 -0.52 0.00 0.00 57.07 56.42 1x5x s TYR 84 Cb -0.16 -1.25 -0.04 0.00 0.38 0.00 0.00 41.96 40.89 1x5x s TYR 84 CO 0.13 0.60 -0.23 1.21 -1.52 0.00 0.00 175.55 175.74 1x5x s ASN 85 N -3.62 2.78 0.60 -0.18 3.84 0.52 -3.36 114.94 115.52 1x5x s ASN 85 Ca 0.32 -0.69 0.29 0.00 0.21 0.00 0.00 52.86 52.99 1x5x s ASN 85 Cb -0.03 -0.17 1.20 0.00 -0.55 0.00 0.00 41.25 41.70 1x5x s ASN 85 CO 0.18 0.11 1.57 -1.28 -2.79 0.00 0.00 177.10 174.89 1x5x h SER 86 N 4.11 0.00 -0.00 -4.21 0.87 -1.98 0.92 113.55 113.26 1x5x h SER 86 Ca -0.47 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.01 1x5x h SER 86 Cb 1.17 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.14 1x5x h SER 86 CO 0.40 0.00 -0.29 -0.33 -0.53 0.00 0.00 176.83 176.08 1x5x h GLU 87 N 0.00 0.20 0.00 2.24 4.39 -1.99 -3.49 114.58 115.92 1x5x h GLU 87 Ca 0.39 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1x5x h GLU 87 Cb 2.21 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.92 1x5x h GLU 87 CO -0.00 0.94 0.00 0.41 -1.16 0.00 0.00 179.01 179.19 1x5x n GLY 88 N 1.03 1.79 3.01 -3.84 0.00 0.32 -5.08 105.19 102.41 1x5x n GLY 88 Ca -0.10 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 1x5x n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x5x n LYS 89 N 0.00 0.80 -1.55 1.61 5.02 -1.26 0.20 118.16 122.97 1x5x n LYS 89 Ca 0.00 -2.62 0.00 0.00 -2.02 0.00 0.00 58.31 53.67 1x5x n LYS 89 Cb 0.00 0.14 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 1x5x n LYS 89 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x5x n SER 90 N -2.06 0.00 -4.77 4.39 7.64 -1.22 -3.43 113.62 114.16 1x5x n SER 90 Ca 0.03 -0.81 -0.38 0.00 1.01 0.00 0.00 58.87 58.73 1x5x n SER 90 Cb 0.48 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.62 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 -0.60 7.39 0.78 6.43 2.20 -1.26 -4.88 114.94 125.00 1x5x s ASN 91 Ca 0.00 1.88 -0.11 0.00 -0.94 0.00 0.00 52.86 53.69 1x5x s ASN 91 Cb 0.00 -2.59 0.06 0.00 -2.00 0.00 0.00 41.25 36.72 1x5x s ASN 91 CO 0.00 -0.03 1.09 -2.16 -2.94 0.00 0.00 177.10 173.06 1x5x s PRO 92 N -1.85 2.20 0.45 3.55 0.04 -1.26 -4.54 135.00 133.59 1x5x s PRO 92 Ca 0.48 0.68 0.04 0.00 0.04 0.00 0.00 61.00 62.24 1x5x s PRO 92 Cb -0.21 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1x5x s PRO 92 CO 0.26 -1.55 0.64 0.45 0.04 0.00 0.00 177.00 176.85 1x5x s SER 93 N -3.89 5.64 -0.25 6.66 0.15 -0.70 -4.91 113.70 116.40 1x5x s SER 93 Ca 0.60 -0.06 -0.40 0.00 0.70 0.00 0.00 55.95 56.80 1x5x s SER 93 Cb -0.14 -1.07 -0.15 0.00 -1.71 0.00 0.00 66.02 62.95 1x5x s SER 93 CO 0.54 -0.81 1.74 -0.62 1.20 0.00 0.00 173.24 175.29 1x5x n GLU 94 N -2.03 1.20 -2.09 5.44 -0.58 -1.26 -4.59 120.64 116.74 1x5x n GLU 94 Ca 0.05 0.44 -0.42 0.00 -0.42 0.00 0.00 57.16 56.80 1x5x n GLU 94 Cb 0.59 -2.13 -0.03 0.00 -0.57 0.00 0.00 31.44 29.30 1x5x n GLU 94 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1x5x s VAL 95 N 3.45 3.72 0.41 2.62 1.01 -1.26 -4.66 120.40 125.68 1x5x s VAL 95 Ca 0.98 0.86 0.08 0.00 0.00 0.00 0.00 61.98 63.90 1x5x s VAL 95 Cb -1.05 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 31.77 1x5x s VAL 95 CO 0.64 -0.08 0.51 0.68 0.00 0.00 0.00 175.10 176.85 1x5x s VAL 96 N 3.98 3.03 0.03 2.92 -7.23 -0.15 -4.93 120.40 118.05 1x5x s VAL 96 Ca 0.70 -1.09 0.03 0.00 -1.81 0.00 0.00 61.98 59.81 1x5x s VAL 96 Cb -0.31 -3.04 -0.02 0.00 0.56 0.00 0.00 36.38 33.57 1x5x s VAL 96 CO 0.27 -0.02 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.23 1x5x s GLU 97 N -4.27 0.70 0.23 4.82 2.12 -1.26 -1.86 118.70 119.18 1x5x s GLU 97 Ca 0.52 -0.65 -0.09 0.00 0.36 0.00 0.00 54.97 55.11 1x5x s GLU 97 Cb -0.08 -0.63 -0.02 0.00 0.26 0.00 0.00 34.13 33.66 1x5x s GLU 97 CO 0.31 0.15 0.36 -0.06 -0.54 0.00 0.00 175.26 175.48 1x5x s PHE 98 N -0.89 0.63 0.02 5.30 0.08 -0.83 -5.03 117.98 117.26 1x5x s PHE 98 Ca -0.02 -0.95 0.01 0.00 0.12 0.00 0.00 56.93 56.09 1x5x s PHE 98 Cb -0.07 -0.06 -0.02 0.00 -0.57 0.00 0.00 43.02 42.30 1x5x s PHE 98 CO 0.01 -0.87 -0.04 0.99 -0.10 0.00 0.00 175.22 175.21 1x5x s THR 99 N -4.07 0.22 0.57 0.64 2.01 -1.26 -2.26 115.64 111.50 1x5x s THR 99 Ca 0.28 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.46 1x5x s THR 99 Cb 0.02 -0.31 0.13 0.00 0.01 0.00 0.00 72.50 72.36 1x5x s THR 99 CO 0.10 -0.33 0.74 0.35 -0.69 0.00 0.00 174.62 174.79 1x5x n THR 100 N 1.95 0.00 -3.41 -0.82 -2.24 -1.23 -4.81 114.28 103.73 1x5x n THR 100 Ca -0.21 -0.52 -0.19 0.00 -2.27 0.00 0.00 64.05 60.86 1x5x n THR 100 Cb 0.56 -1.65 -0.01 0.00 -2.10 0.00 0.00 70.33 67.13 1x5x n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5x s PRO 102 N -4.19 4.62 -0.06 0.00 0.04 -1.26 -2.60 135.00 131.56 1x5x s PRO 102 Ca 0.48 1.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 1x5x s PRO 102 Cb -0.08 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 1x5x s PRO 102 CO 0.30 0.15 1.70 0.16 0.04 0.00 0.00 177.00 179.35 1x5x s ASP 103 N -0.49 6.60 -0.29 6.66 -4.77 -1.26 -4.92 116.67 118.20 1x5x s ASP 103 Ca 0.47 2.24 -0.23 0.00 -3.30 0.00 0.00 52.55 51.73 1x5x s ASP 103 Cb -0.31 -2.53 0.15 0.00 -1.09 0.00 0.00 42.92 39.14 1x5x s ASP 103 CO 0.38 -0.98 1.15 -0.55 0.70 0.00 0.00 175.17 175.86 1x5x s SER 104 N 3.63 -0.32 0.73 2.11 0.15 -1.26 -5.13 113.70 113.61 1x5x s SER 104 Ca 0.76 0.59 -0.11 0.00 0.70 0.00 0.00 55.95 57.89 1x5x s SER 104 Cb -0.34 0.74 0.04 0.00 -1.71 0.00 0.00 66.02 64.75 1x5x s SER 104 CO 0.31 -0.10 1.10 -0.83 1.20 0.00 0.00 173.24 174.92 1x5x s GLY 105 N 0.44 1.62 -0.49 9.45 0.00 -1.26 -4.98 107.32 112.10 1x5x s GLY 105 Ca 0.01 -0.52 -0.28 0.00 0.00 0.00 0.00 44.72 43.93 1x5x s GLY 105 CO -0.11 -0.12 1.45 2.56 0.00 0.00 0.00 173.10 176.89 1x5x s PRO 106 N -5.38 3.38 -0.12 2.90 0.04 -1.26 -4.18 135.00 130.38 1x5x s PRO 106 Ca 0.59 0.70 -0.08 0.00 0.04 0.00 0.00 61.00 62.25 1x5x s PRO 106 Cb -0.11 -4.10 0.03 0.00 0.04 0.00 0.00 34.50 30.36 1x5x s PRO 106 CO 0.50 -1.83 0.17 0.45 0.04 0.00 0.00 177.00 176.33 1x5x n SER 107 N 9.47 -1.51 -2.92 6.66 2.88 -1.26 -4.75 113.62 122.19 1x5x n SER 107 Ca 0.15 1.04 -0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1x5x n SER 107 Cb 0.49 -4.16 -0.00 0.00 -0.75 0.00 0.00 64.21 59.78 1x5x n SER 107 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5x n SER 108 N 1.28 -6.87 0.00 -3.46 7.64 -1.26 -5.26 113.62 105.69 1x5x n SER 108 Ca -0.28 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.59 1x5x n SER 108 Cb 0.44 -3.62 0.00 0.00 -1.01 0.00 0.00 64.21 60.02 1x5x n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64