#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 3.24 -0.13 1.61 0.15 -1.26 -5.10 113.70 112.21 1x5x s SER 2 Ca 0.00 -0.58 -0.00 0.00 0.70 0.00 0.00 55.95 56.06 1x5x s SER 2 Cb 0.00 -1.48 0.03 0.00 -1.71 0.00 0.00 66.02 62.86 1x5x s SER 2 CO 0.00 0.07 -0.08 -0.55 1.20 0.00 0.00 173.24 173.88 1x5x s SER 3 N 0.91 2.43 0.00 5.45 0.15 -1.26 -5.06 113.70 116.32 1x5x s SER 3 Ca -0.04 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1x5x s SER 3 Cb -0.15 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 1x5x s SER 3 CO -0.03 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1x5x n GLY 4 N 4.90 0.42 3.15 9.45 0.00 -1.26 -5.16 105.19 116.69 1x5x n GLY 4 Ca -0.13 0.63 0.06 0.00 0.00 0.00 0.00 46.02 46.58 1x5x n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5x s SER 5 N 0.00 -0.25 -0.28 1.61 1.04 -1.26 -5.15 113.70 109.40 1x5x s SER 5 Ca 0.00 0.16 -0.21 0.00 0.48 0.00 0.00 55.95 56.38 1x5x s SER 5 Cb 0.00 1.21 0.12 0.00 0.10 0.00 0.00 66.02 67.45 1x5x s SER 5 CO 0.00 -0.05 0.92 -0.55 0.98 0.00 0.00 173.24 174.55 1x5x s SER 6 N 2.97 -0.58 0.00 7.02 0.15 -1.26 -4.77 113.70 117.23 1x5x s SER 6 Ca -0.05 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.62 1x5x s SER 6 Cb -0.09 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1x5x s SER 6 CO -0.09 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1x5x n GLY 7 N 3.04 -0.84 3.45 9.45 0.00 -0.18 -4.82 105.19 115.28 1x5x n GLY 7 Ca -0.16 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.75 1x5x n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5x n PRO 8 N 0.00 -2.09 -0.72 1.61 -0.04 -1.26 -4.92 135.00 127.58 1x5x n PRO 8 Ca 0.00 -1.79 -0.15 0.00 -0.04 0.00 0.00 63.50 61.52 1x5x n PRO 8 Cb 0.00 -1.40 0.12 0.00 -0.04 0.00 0.00 33.50 32.18 1x5x n PRO 8 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5x n SER 9 N -4.26 -0.93 -4.67 3.54 7.64 -1.26 -4.66 113.62 109.01 1x5x n SER 9 Ca 0.15 -1.01 -0.42 0.00 1.01 0.00 0.00 58.87 58.60 1x5x n SER 9 Cb 0.55 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 63.19 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 -4.38 4.26 1.09 1.43 1.75 -1.26 -4.71 119.30 117.47 1x5x s MET 10 Ca 0.38 1.87 -0.18 0.00 -1.25 0.00 0.00 55.69 56.50 1x5x s MET 10 Cb -0.03 -3.71 0.26 0.00 2.84 0.00 0.00 34.83 34.20 1x5x s MET 10 CO 0.28 -0.65 1.20 -0.35 -0.65 0.00 0.00 175.02 174.86 1x5x n PRO 11 N 6.05 -2.19 -3.66 4.11 -0.04 -1.26 -3.88 135.00 134.13 1x5x n PRO 11 Ca 0.14 -1.89 -0.37 0.00 -0.04 0.00 0.00 63.50 61.34 1x5x n PRO 11 Cb 0.44 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 1x5x n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x5x s ALA 12 N -3.51 3.78 0.44 0.55 0.00 -1.24 -4.70 121.76 117.09 1x5x s ALA 12 Ca 0.73 -0.42 -0.22 0.00 0.00 0.00 0.00 51.96 52.05 1x5x s ALA 12 Cb -0.04 -2.20 -0.12 0.00 0.00 0.00 0.00 23.12 20.76 1x5x s ALA 12 CO 0.53 0.56 0.57 -1.13 0.00 0.00 0.00 175.76 176.30 1x5x n SER 13 N 1.59 -0.76 -4.70 0.00 3.41 -1.26 -4.21 113.62 107.70 1x5x n SER 13 Ca -0.14 0.89 -0.42 0.00 -0.26 0.00 0.00 58.87 58.94 1x5x n SER 13 Cb 0.53 -1.14 -0.03 0.00 -0.26 0.00 0.00 64.21 63.32 1x5x n SER 13 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1x5x s PRO 14 N -1.67 4.38 0.97 4.33 0.04 -1.26 -4.68 135.00 137.10 1x5x s PRO 14 Ca 0.64 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 63.23 1x5x s PRO 14 Cb -0.58 -3.50 0.21 0.00 0.04 0.00 0.00 34.50 30.68 1x5x s PRO 14 CO 0.58 -0.39 1.32 0.14 0.04 0.00 0.00 177.00 178.69 1x5x s VAL 15 N 1.86 2.00 -0.42 -0.36 -7.23 0.23 -4.74 120.40 111.74 1x5x s VAL 15 Ca 0.57 -0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.71 1x5x s VAL 15 Cb -0.26 -2.96 0.15 0.00 0.56 0.00 0.00 36.38 33.87 1x5x s VAL 15 CO 0.24 0.00 0.28 -0.22 -0.31 0.00 0.00 175.10 175.09 1x5x s LEU 16 N -5.88 1.90 0.07 1.32 2.96 -1.26 -1.16 118.68 116.62 1x5x s LEU 16 Ca 0.75 -2.71 -0.32 0.00 -0.22 0.00 0.00 54.13 51.63 1x5x s LEU 16 Cb -0.03 -0.69 -0.16 0.00 0.50 0.00 0.00 46.19 45.81 1x5x s LEU 16 CO 0.53 -0.24 1.49 0.71 -1.32 0.00 0.00 176.35 177.52 1x5x h THR 17 N 4.91 0.00 -4.13 3.68 1.35 -1.63 -3.43 112.91 113.66 1x5x h THR 17 Ca 0.11 0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 65.45 1x5x h THR 17 Cb 0.92 0.00 -0.30 0.00 -1.73 0.00 0.00 68.15 67.04 1x5x h THR 17 CO 0.39 0.00 -0.82 -0.54 -0.25 0.00 0.00 175.52 174.30 1x5x s LYS 18 N -5.53 1.38 -0.25 4.72 1.02 -1.21 -5.05 119.74 114.82 1x5x s LYS 18 Ca -0.16 -0.55 -0.03 0.00 0.02 0.00 0.00 55.97 55.25 1x5x s LYS 18 Cb 0.03 -1.29 0.02 0.00 -0.52 0.00 0.00 37.83 36.07 1x5x s LYS 18 CO 0.53 0.29 -0.04 0.00 -0.92 0.00 0.00 175.35 175.21 1x5x s ALA 19 N -0.21 2.77 0.38 5.17 0.00 -1.26 -1.36 121.76 127.25 1x5x s ALA 19 Ca 0.03 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.57 1x5x s ALA 19 Cb -0.08 -1.76 0.04 0.00 0.00 0.00 0.00 23.12 21.32 1x5x s ALA 19 CO 0.00 -0.79 0.28 0.41 0.00 0.00 0.00 175.76 175.66 1x5x n GLY 20 N 4.72 1.15 0.12 0.00 0.00 0.34 -4.65 105.19 106.87 1x5x n GLY 20 Ca -0.16 -2.04 -0.21 0.00 0.00 0.00 0.00 46.02 43.60 1x5x n GLY 20 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1x5x h ILE 21 N -0.28 0.96 0.00 -0.61 2.04 -1.92 -2.40 117.51 115.29 1x5x h ILE 21 Ca -0.09 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.41 1x5x h ILE 21 Cb 0.37 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1x5x h ILE 21 CO 0.11 0.68 -0.04 0.35 0.00 0.00 0.00 178.15 179.25 1x5x n THR 22 N -3.94 1.53 -3.79 -0.27 -2.24 -1.26 -3.76 114.28 100.55 1x5x n THR 22 Ca -0.27 -1.80 -0.10 0.00 -2.27 0.00 0.00 64.05 59.61 1x5x n THR 22 Cb 0.89 -0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.04 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 -2.22 -0.02 -0.17 4.78 1.48 -1.26 -2.92 118.94 118.61 1x5x s TRP 23 Ca 0.22 -0.23 -0.04 0.00 -1.06 0.00 0.00 56.10 54.99 1x5x s TRP 23 Cb 0.20 0.05 0.08 0.00 -1.16 0.00 0.00 33.47 32.64 1x5x s TRP 23 CO 0.02 -0.52 0.25 -0.51 -4.06 0.00 0.00 176.95 172.13 1x5x s LEU 24 N -2.35 -0.25 -0.63 -4.66 1.43 -0.06 -0.51 118.68 111.65 1x5x s LEU 24 Ca -0.02 0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 53.10 1x5x s LEU 24 Cb 0.01 0.59 0.08 0.00 0.03 0.00 0.00 46.19 46.91 1x5x s LEU 24 CO -0.06 -0.28 0.85 -0.44 0.23 0.00 0.00 176.35 176.65 1x5x s SER 25 N 2.39 6.18 0.38 2.29 0.01 -0.46 -1.10 113.70 123.38 1x5x s SER 25 Ca 0.05 -1.17 0.02 0.00 1.31 0.00 0.00 55.95 56.16 1x5x s SER 25 Cb -0.14 -2.37 -0.02 0.00 0.21 0.00 0.00 66.02 63.71 1x5x s SER 25 CO -0.10 -1.29 0.56 -0.76 0.41 0.00 0.00 173.24 172.06 1x5x s LEU 26 N 3.46 3.88 -0.19 2.44 1.43 -0.96 -1.65 118.68 127.09 1x5x s LEU 26 Ca 0.18 0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.44 1x5x s LEU 26 Cb -0.20 -3.09 0.09 0.00 0.03 0.00 0.00 46.19 43.03 1x5x s LEU 26 CO 0.09 -0.47 0.27 -1.58 0.23 0.00 0.00 176.35 174.88 1x5x s GLN 27 N -4.35 0.22 0.27 1.70 0.74 -0.31 -3.18 119.66 114.75 1x5x s GLN 27 Ca 0.44 0.45 0.10 0.00 0.05 0.00 0.00 55.36 56.40 1x5x s GLN 27 Cb -0.10 -0.67 -0.04 0.00 1.10 0.00 0.00 33.01 33.30 1x5x s GLN 27 CO 0.35 -0.54 -0.02 1.67 -0.55 0.00 0.00 175.29 176.21 1x5x s TRP 28 N 2.41 2.66 0.33 1.67 -2.14 -1.23 0.78 118.94 123.43 1x5x s TRP 28 Ca 0.06 -0.24 0.07 0.00 2.66 0.00 0.00 56.10 58.66 1x5x s TRP 28 Cb -0.14 -1.19 -0.06 0.00 -3.10 0.00 0.00 33.47 28.97 1x5x s TRP 28 CO -0.12 0.62 -0.05 -1.12 -2.66 0.00 0.00 176.95 173.62 1x5x s SER 29 N -3.67 3.27 0.91 -2.66 0.01 -1.26 -4.56 113.70 105.75 1x5x s SER 29 Ca 0.31 -1.24 -0.11 0.00 1.31 0.00 0.00 55.95 56.23 1x5x s SER 29 Cb -0.06 -0.27 0.14 0.00 0.21 0.00 0.00 66.02 66.04 1x5x s SER 29 CO 0.20 -0.33 1.11 -1.59 0.41 0.00 0.00 173.24 173.03 1x5x s LYS 30 N -3.70 1.09 0.89 12.44 -2.85 -1.26 -3.63 119.74 122.72 1x5x s LYS 30 Ca 0.32 1.25 -0.15 0.00 -1.00 0.00 0.00 55.97 56.39 1x5x s LYS 30 Cb 0.05 -1.76 0.21 0.00 -2.06 0.00 0.00 37.83 34.27 1x5x s LYS 30 CO 0.15 -2.48 0.98 -0.35 0.10 0.00 0.00 175.35 173.74 1x5x n PRO 31 N -4.10 -1.87 -2.88 1.78 -0.04 -1.26 -4.29 135.00 122.34 1x5x n PRO 31 Ca 0.09 -1.53 -0.20 0.00 -0.04 0.00 0.00 63.50 61.82 1x5x n PRO 31 Cb 0.53 -1.21 0.04 0.00 -0.04 0.00 0.00 33.50 32.83 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 -4.41 5.23 -1.51 3.54 0.01 -1.25 -4.47 113.70 110.85 1x5x s SER 32 Ca 0.59 -0.45 -0.09 0.00 1.31 0.00 0.00 55.95 57.31 1x5x s SER 32 Cb -0.04 -0.34 0.09 0.00 0.21 0.00 0.00 66.02 65.95 1x5x s SER 32 CO 0.43 -1.17 0.24 0.61 0.41 0.00 0.00 173.24 173.76 1x5x n GLY 33 N -2.21 -0.22 3.72 3.44 0.00 -1.26 -4.46 105.19 104.20 1x5x n GLY 33 Ca 0.11 0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.67 2.80 -0.07 2.61 -4.23 -1.26 -4.81 115.64 107.01 1x5x s THR 34 Ca 0.33 0.26 -0.14 0.00 -1.18 0.00 0.00 61.69 60.96 1x5x s THR 34 Cb -0.19 -2.61 -0.10 0.00 1.34 0.00 0.00 72.50 70.94 1x5x s THR 34 CO 0.90 -0.34 0.55 1.55 -0.54 0.00 0.00 174.62 176.74 1x5x h PRO 35 N -1.48 -0.25 0.00 3.99 0.13 -1.98 -3.49 132.00 128.92 1x5x h PRO 35 Ca -0.46 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1x5x h PRO 35 Cb 1.26 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1x5x h PRO 35 CO 0.50 0.02 0.00 0.45 -0.23 0.00 0.00 178.00 178.74 1x5x n SER 36 N -4.94 0.00 0.00 1.44 2.88 -1.26 -5.04 113.62 106.70 1x5x n SER 36 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1x5x n SER 36 Cb 0.19 0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 1x5x n SER 36 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1x5x n ASP 37 N -1.57 0.00 -3.68 -3.46 2.03 -1.26 -5.06 116.55 103.56 1x5x n ASP 37 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 1x5x n ASP 37 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1x5x n ASP 37 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1x5x n GLU 38 N 0.00 3.51 -3.11 -0.67 0.28 -1.26 -4.77 120.64 114.63 1x5x n GLU 38 Ca 0.00 -3.00 0.00 0.00 -0.16 0.00 0.00 57.16 54.00 1x5x n GLU 38 Cb 0.00 -2.99 0.00 0.00 1.43 0.00 0.00 31.44 29.88 1x5x n GLU 38 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x5x n GLY 39 N 3.20 0.00 3.54 -1.84 0.00 -1.26 -4.72 105.19 104.12 1x5x n GLY 39 Ca 0.53 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.60 3.94 0.11 -0.61 1.01 -1.26 -4.30 121.20 119.49 1x5x s ILE 40 Ca 0.00 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.37 1x5x s ILE 40 Cb 0.00 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1x5x s ILE 40 CO 0.00 0.53 -0.19 -0.44 0.00 0.00 0.00 174.94 174.84 1x5x s SER 41 N -0.02 2.39 -0.13 3.58 0.01 -0.87 -4.70 113.70 113.95 1x5x s SER 41 Ca 0.01 -0.72 0.01 0.00 1.31 0.00 0.00 55.95 56.56 1x5x s SER 41 Cb -0.13 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 65.99 1x5x s SER 41 CO 0.03 0.00 -0.14 -0.31 0.41 0.00 0.00 173.24 173.23 1x5x s TYR 42 N -1.43 2.07 -0.27 2.43 1.51 -1.14 -0.36 117.35 120.16 1x5x s TYR 42 Ca 0.07 -1.10 -0.12 0.00 -1.01 0.00 0.00 57.07 54.91 1x5x s TYR 42 Cb -0.09 -1.52 -0.05 0.00 -0.11 0.00 0.00 41.96 40.19 1x5x s TYR 42 CO 0.04 -0.60 0.25 0.42 -1.11 0.00 0.00 175.55 174.56 1x5x s ILE 43 N 1.33 5.26 -0.48 2.71 1.01 0.78 -4.03 121.20 127.79 1x5x s ILE 43 Ca 0.01 0.31 -0.29 0.00 0.00 0.00 0.00 60.65 60.69 1x5x s ILE 43 Cb -0.13 -3.59 0.03 0.00 0.01 0.00 0.00 42.46 38.78 1x5x s ILE 43 CO -0.08 0.22 1.12 -0.22 0.00 0.00 0.00 174.94 175.99 1x5x s LEU 44 N 1.83 3.67 0.45 2.97 2.96 -1.19 -2.36 118.68 127.00 1x5x s LEU 44 Ca 0.10 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 1x5x s LEU 44 Cb -0.16 -3.51 -0.00 0.00 0.50 0.00 0.00 46.19 43.01 1x5x s LEU 44 CO 0.10 -1.24 0.67 -1.61 -1.32 0.00 0.00 176.35 172.95 1x5x s GLU 45 N 4.40 3.07 -0.19 1.98 2.02 -1.05 -1.44 118.70 127.48 1x5x s GLU 45 Ca 0.47 -0.50 -0.27 0.00 0.02 0.00 0.00 54.97 54.68 1x5x s GLU 45 Cb -0.07 -2.57 0.07 0.00 0.10 0.00 0.00 34.13 31.66 1x5x s GLU 45 CO 0.31 -0.26 0.70 1.41 0.02 0.00 0.00 175.26 177.44 1x5x s MET 46 N -4.54 0.91 -0.07 1.61 -2.45 -0.97 -3.19 119.30 110.60 1x5x s MET 46 Ca 0.48 0.72 0.00 0.00 -1.25 0.00 0.00 55.69 55.65 1x5x s MET 46 Cb -0.10 0.44 0.02 0.00 1.25 0.00 0.00 34.83 36.44 1x5x s MET 46 CO 0.38 -0.18 -0.04 -2.00 1.05 0.00 0.00 175.02 174.22 1x5x s GLU 47 N -0.19 0.95 0.23 4.11 2.12 -1.05 -2.12 118.70 122.75 1x5x s GLU 47 Ca -0.04 -0.08 0.07 0.00 0.36 0.00 0.00 54.97 55.28 1x5x s GLU 47 Cb -0.03 -1.07 -0.04 0.00 0.26 0.00 0.00 34.13 33.25 1x5x s GLU 47 CO 0.04 -0.19 0.10 -2.00 -0.54 0.00 0.00 175.26 172.68 1x5x s GLU 48 N 1.42 2.67 1.06 4.30 2.12 -1.26 -3.74 118.70 125.26 1x5x s GLU 48 Ca -0.03 -1.13 -0.14 0.00 0.36 0.00 0.00 54.97 54.04 1x5x s GLU 48 Cb -0.13 -2.44 0.22 0.00 0.26 0.00 0.00 34.13 32.04 1x5x s GLU 48 CO -0.03 0.41 1.09 -1.83 -0.54 0.00 0.00 175.26 174.36 1x5x s GLU 49 N -3.52 -0.10 -0.32 4.30 -1.05 -1.26 -4.39 118.70 112.36 1x5x s GLU 49 Ca 0.31 0.41 -0.29 0.00 -0.15 0.00 0.00 54.97 55.26 1x5x s GLU 49 Cb -0.08 -1.68 0.04 0.00 -0.44 0.00 0.00 34.13 31.97 1x5x s GLU 49 CO 0.22 -3.06 0.48 0.25 0.95 0.00 0.00 175.26 174.10 1x5x n THR 50 N -4.39 -3.24 0.12 1.83 -2.24 -1.26 -4.86 114.28 100.24 1x5x n THR 50 Ca 0.06 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 1x5x n THR 50 Cb 0.58 -3.26 0.00 0.00 -2.10 0.00 0.00 70.33 65.55 1x5x n THR 50 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1x5x n SER 51 N 0.23 -2.21 -2.97 3.42 7.64 -1.26 -5.09 113.62 113.39 1x5x n SER 51 Ca -0.06 0.48 -0.03 0.00 1.01 0.00 0.00 58.87 60.27 1x5x n SER 51 Cb 0.62 2.28 0.00 0.00 -1.01 0.00 0.00 64.21 66.11 1x5x n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5x n GLY 52 N -1.49 -1.25 2.01 0.23 0.00 -1.26 -4.95 105.19 98.48 1x5x n GLY 52 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 -1.26 -1.99 0.00 1.61 4.01 -1.26 -5.18 117.16 113.08 1x5x n TYR 53 Ca 0.04 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1x5x n TYR 53 Cb 0.48 0.72 0.00 0.00 -0.31 0.00 0.00 39.34 40.23 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 -0.65 0.73 3.65 2.72 0.00 -1.26 -5.04 105.19 105.34 1x5x n GLY 54 Ca 0.00 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.38 3.32 0.03 1.61 0.08 -1.26 -4.75 117.98 115.63 1x5x s PHE 55 Ca 0.00 1.36 -0.01 0.00 0.12 0.00 0.00 56.93 58.40 1x5x s PHE 55 Cb 0.00 -3.22 -0.04 0.00 -0.57 0.00 0.00 43.02 39.19 1x5x s PHE 55 CO 0.00 -0.47 0.19 0.15 -0.10 0.00 0.00 175.22 175.00 1x5x s LYS 56 N 3.11 3.42 0.30 0.44 -0.14 -0.90 -4.83 119.74 121.14 1x5x s LYS 56 Ca 0.41 -0.39 -0.28 0.00 -1.36 0.00 0.00 55.97 54.35 1x5x s LYS 56 Cb -0.15 -3.06 -0.09 0.00 -1.68 0.00 0.00 37.83 32.85 1x5x s LYS 56 CO 0.07 0.64 1.08 -1.25 -0.76 0.00 0.00 175.35 175.12 1x5x s PRO 57 N -2.21 4.56 -0.04 -1.68 0.04 -1.26 -2.29 135.00 132.11 1x5x s PRO 57 Ca 0.31 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 1x5x s PRO 57 Cb -0.13 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 1x5x s PRO 57 CO 0.23 0.16 -0.05 1.63 0.04 0.00 0.00 177.00 179.02 1x5x n LYS 58 N 0.95 0.08 -4.43 4.56 4.76 -0.52 -4.97 118.16 118.58 1x5x n LYS 58 Ca 0.00 0.03 -0.24 0.00 -2.87 0.00 0.00 58.31 55.24 1x5x n LYS 58 Cb 0.46 -0.68 -0.09 0.00 -1.84 0.00 0.00 35.03 32.88 1x5x n LYS 58 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1x5x s TYR 59 N -2.07 2.39 -0.44 2.13 5.04 -1.20 -4.98 117.35 118.22 1x5x s TYR 59 Ca -0.05 -0.32 0.06 0.00 -2.44 0.00 0.00 57.07 54.32 1x5x s TYR 59 Cb 0.02 -1.06 0.19 0.00 0.35 0.00 0.00 41.96 41.45 1x5x s TYR 59 CO 0.07 0.69 0.71 0.16 -1.34 0.00 0.00 175.55 175.83 1x5x s ASP 60 N -3.55 -1.39 0.25 4.32 -4.77 -1.26 -3.15 116.67 107.12 1x5x s ASP 60 Ca 0.31 -1.05 -0.10 0.00 -3.30 0.00 0.00 52.55 48.42 1x5x s ASP 60 Cb -0.05 1.79 -0.01 0.00 -1.09 0.00 0.00 42.92 43.56 1x5x s ASP 60 CO 0.16 -0.12 0.41 -0.83 0.70 0.00 0.00 175.17 175.49 1x5x s GLY 61 N 1.50 0.80 -0.63 2.12 0.00 -1.26 -5.05 107.32 104.81 1x5x s GLY 61 Ca 0.21 -1.10 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 1x5x s GLY 61 CO -0.07 -0.82 2.13 -1.84 0.00 0.00 0.00 173.10 172.51 1x5x n GLU 62 N -0.38 2.52 -4.59 2.90 0.28 -1.26 -2.87 120.64 117.23 1x5x n GLU 62 Ca -0.01 -2.93 -0.30 0.00 -0.16 0.00 0.00 57.16 53.76 1x5x n GLU 62 Cb 0.63 -2.15 -0.13 0.00 1.43 0.00 0.00 31.44 31.22 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 -0.98 3.62 -0.46 -1.84 1.01 -1.26 -5.01 116.67 111.75 1x5x s ASP 63 Ca 0.55 -0.54 0.01 0.00 0.71 0.00 0.00 52.55 53.28 1x5x s ASP 63 Cb 0.43 -0.47 0.47 0.00 1.01 0.00 0.00 42.92 44.36 1x5x s ASP 63 CO -0.15 0.23 1.89 0.18 0.21 0.00 0.00 175.17 177.53 1x5x n LEU 64 N 1.34 6.67 -3.65 1.23 4.77 -1.26 -4.73 117.00 121.38 1x5x n LEU 64 Ca -0.16 -3.59 -0.02 0.00 -0.03 0.00 0.00 56.01 52.21 1x5x n LEU 64 Cb 0.52 -0.89 -0.07 0.00 -2.33 0.00 0.00 43.42 40.66 1x5x n LEU 64 CO 0.26 1.16 0.90 0.00 -1.33 0.00 0.00 177.39 178.38 1x5x s ALA 65 N -2.94 -2.32 0.05 -1.18 0.00 -1.26 -3.49 121.76 110.62 1x5x s ALA 65 Ca 0.50 1.95 -0.08 0.00 0.00 0.00 0.00 51.96 54.33 1x5x s ALA 65 Cb 0.41 -1.75 -0.00 0.00 0.00 0.00 0.00 23.12 21.77 1x5x s ALA 65 CO 0.04 -0.26 0.16 -0.47 0.00 0.00 0.00 175.76 175.24 1x5x s TYR 66 N 0.72 0.12 -0.41 0.00 5.04 -1.19 -5.06 117.35 116.57 1x5x s TYR 66 Ca -0.02 -0.42 -0.01 0.00 -2.44 0.00 0.00 57.07 54.17 1x5x s TYR 66 Cb -0.04 -0.07 0.11 0.00 0.35 0.00 0.00 41.96 42.31 1x5x s TYR 66 CO -0.12 -0.44 0.19 0.99 -1.34 0.00 0.00 175.55 174.83 1x5x s THR 67 N -2.93 3.10 -0.02 4.34 2.01 -1.26 -2.26 115.64 118.62 1x5x s THR 67 Ca -0.02 -2.21 -0.30 0.00 0.31 0.00 0.00 61.69 59.46 1x5x s THR 67 Cb 0.01 -3.15 -0.06 0.00 0.01 0.00 0.00 72.50 69.31 1x5x s THR 67 CO -0.06 -0.69 1.61 -0.69 -0.69 0.00 0.00 174.62 174.10 1x5x s VAL 68 N 0.97 3.49 0.48 3.82 1.01 -0.26 -4.84 120.40 125.07 1x5x s VAL 68 Ca 0.10 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.86 1x5x s VAL 68 Cb -0.22 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1x5x s VAL 68 CO -0.05 -0.04 0.27 -0.54 0.00 0.00 0.00 175.10 174.74 1x5x s LYS 69 N 3.47 2.27 -0.43 2.72 1.02 -1.26 -0.88 119.74 126.65 1x5x s LYS 69 Ca 0.72 -1.95 -0.06 0.00 0.02 0.00 0.00 55.97 54.69 1x5x s LYS 69 Cb -0.34 -2.02 0.01 0.00 -0.52 0.00 0.00 37.83 34.96 1x5x s LYS 69 CO 0.29 -0.36 0.48 0.09 -0.92 0.00 0.00 175.35 174.94 1x5x n ASN 70 N -1.49 -6.40 -3.76 2.83 3.02 -1.15 -4.96 115.26 103.35 1x5x n ASN 70 Ca -0.03 0.19 -0.23 0.00 -0.03 0.00 0.00 54.58 54.48 1x5x n ASN 70 Cb 0.64 -4.26 -0.08 0.00 -0.61 0.00 0.00 39.78 35.48 1x5x n ASN 70 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x5x s LEU 71 N -2.79 1.87 0.22 3.41 1.43 -1.15 -5.02 118.68 116.66 1x5x s LEU 71 Ca 0.10 -1.73 0.11 0.00 -1.03 0.00 0.00 54.13 51.58 1x5x s LEU 71 Cb -0.03 0.20 -0.05 0.00 0.03 0.00 0.00 46.19 46.35 1x5x s LEU 71 CO 0.57 -1.01 -0.18 -0.13 0.23 0.00 0.00 176.35 175.83 1x5x s ARG 72 N -3.59 1.74 0.25 1.70 0.52 -1.26 -4.69 118.95 113.62 1x5x s ARG 72 Ca 0.31 -1.55 -0.30 0.00 -0.52 0.00 0.00 55.73 53.68 1x5x s ARG 72 Cb 0.02 -1.91 -0.09 0.00 0.52 0.00 0.00 34.95 33.49 1x5x s ARG 72 CO 0.20 0.38 1.21 -0.98 0.02 0.00 0.00 175.30 176.13 1x5x s ARG 73 N -3.05 4.49 -0.63 3.54 3.03 -1.25 -3.93 118.95 121.16 1x5x s ARG 73 Ca 0.25 1.96 -0.19 0.00 2.03 0.00 0.00 55.73 59.78 1x5x s ARG 73 Cb -0.07 -3.18 0.03 0.00 -1.03 0.00 0.00 34.95 30.70 1x5x s ARG 73 CO 0.13 -0.04 0.64 0.43 -1.13 0.00 0.00 175.30 175.33 1x5x n SER 74 N 1.71 -5.45 -3.79 -2.89 7.64 -1.06 -4.93 113.62 104.85 1x5x n SER 74 Ca 0.02 -0.47 -0.13 0.00 1.01 0.00 0.00 58.87 59.30 1x5x n SER 74 Cb 0.44 -2.02 -0.13 0.00 -1.01 0.00 0.00 64.21 61.49 1x5x n SER 74 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1x5x s THR 75 N -2.26 -0.01 0.32 0.44 2.01 -1.25 -4.95 115.64 109.94 1x5x s THR 75 Ca 0.19 0.04 -0.22 0.00 0.31 0.00 0.00 61.69 62.02 1x5x s THR 75 Cb -0.02 -0.27 -0.10 0.00 0.01 0.00 0.00 72.50 72.12 1x5x s THR 75 CO 0.87 0.02 0.86 -0.54 -0.69 0.00 0.00 174.62 175.15 1x5x s LYS 76 N 0.40 4.34 -0.06 4.92 3.01 -1.26 -3.60 119.74 127.49 1x5x s LYS 76 Ca -0.03 1.08 -0.18 0.00 -1.01 0.00 0.00 55.97 55.83 1x5x s LYS 76 Cb -0.04 -2.63 0.04 0.00 -1.01 0.00 0.00 37.83 34.19 1x5x s LYS 76 CO -0.02 0.22 0.42 0.71 0.51 0.00 0.00 175.35 177.19 1x5x s TYR 77 N -1.77 -0.35 -0.11 3.18 2.02 -1.10 -4.95 117.35 114.26 1x5x s TYR 77 Ca 0.52 0.67 -0.01 0.00 -0.37 0.00 0.00 57.07 57.87 1x5x s TYR 77 Cb -0.15 0.18 -0.03 0.00 -0.40 0.00 0.00 41.96 41.56 1x5x s TYR 77 CO 0.20 -0.40 -0.07 0.15 -1.57 0.00 0.00 175.55 173.86 1x5x s LYS 78 N -0.92 3.21 -0.01 -0.62 1.02 -1.25 -2.63 119.74 118.55 1x5x s LYS 78 Ca -0.10 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.35 1x5x s LYS 78 Cb -0.04 -2.73 -0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1x5x s LYS 78 CO 0.05 0.43 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.81 1x5x s PHE 79 N -0.18 0.34 -0.04 3.18 0.08 -0.87 -2.51 117.98 117.99 1x5x s PHE 79 Ca 0.02 -0.06 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 1x5x s PHE 79 Cb -0.13 -0.24 0.03 0.00 -0.57 0.00 0.00 43.02 42.11 1x5x s PHE 79 CO 0.03 -0.02 0.03 -1.59 -0.10 0.00 0.00 175.22 173.57 1x5x s LYS 80 N -0.01 0.09 0.09 0.44 -2.85 -1.19 -1.49 119.74 114.83 1x5x s LYS 80 Ca 0.01 0.23 -0.30 0.00 -1.00 0.00 0.00 55.97 54.90 1x5x s LYS 80 Cb -0.02 -0.48 -0.06 0.00 -2.06 0.00 0.00 37.83 35.21 1x5x s LYS 80 CO -0.00 -0.24 1.02 0.54 0.10 0.00 0.00 175.35 176.77 1x5x s VAL 81 N 1.59 4.40 -0.18 1.79 0.11 -1.26 -2.53 120.40 124.32 1x5x s VAL 81 Ca -0.02 1.91 0.00 0.00 -2.93 0.00 0.00 61.98 60.94 1x5x s VAL 81 Cb -0.13 -4.22 0.04 0.00 -1.53 0.00 0.00 36.38 30.54 1x5x s VAL 81 CO -0.03 0.25 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.29 1x5x s ILE 82 N 0.29 1.37 -0.23 7.04 1.01 -1.00 -1.81 121.20 127.87 1x5x s ILE 82 Ca 0.50 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 1x5x s ILE 82 Cb -0.25 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1x5x s ILE 82 CO 0.30 0.15 0.46 0.00 0.00 0.00 0.00 174.94 175.85 1x5x s ALA 83 N 1.52 3.57 0.23 9.38 0.00 -1.26 -0.16 121.76 135.03 1x5x s ALA 83 Ca -0.00 -0.58 0.07 0.00 0.00 0.00 0.00 51.96 51.45 1x5x s ALA 83 Cb -0.16 -2.77 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 1x5x s ALA 83 CO -0.08 -0.54 -0.12 1.52 0.00 0.00 0.00 175.76 176.54 1x5x s TYR 84 N 1.85 1.78 0.13 0.00 -0.85 0.52 -2.99 117.35 117.79 1x5x s TYR 84 Ca 0.20 -0.62 0.09 0.00 -0.52 0.00 0.00 57.07 56.22 1x5x s TYR 84 Cb -0.15 -0.89 -0.04 0.00 0.38 0.00 0.00 41.96 41.26 1x5x s TYR 84 CO 0.09 0.32 -0.21 1.21 -1.52 0.00 0.00 175.55 175.44 1x5x s ASN 85 N -3.35 2.79 0.63 -0.18 2.47 0.52 -2.05 114.94 115.77 1x5x s ASN 85 Ca 0.25 -0.76 0.24 0.00 0.42 0.00 0.00 52.86 53.01 1x5x s ASN 85 Cb 0.01 -0.17 1.24 0.00 -1.45 0.00 0.00 41.25 40.87 1x5x s ASN 85 CO 0.08 0.06 1.69 0.28 -3.72 0.00 0.00 177.10 175.49 1x5x h SER 86 N 3.74 0.00 0.14 -4.21 0.02 -1.85 0.75 113.55 112.14 1x5x h SER 86 Ca -0.46 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.25 1x5x h SER 86 Cb 1.19 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.75 1x5x h SER 86 CO 0.43 0.00 -1.04 -0.33 -1.14 0.00 0.00 176.83 174.75 1x5x h GLU 87 N 0.00 0.45 0.00 3.45 5.08 -1.94 -3.50 114.58 118.13 1x5x h GLU 87 Ca 0.13 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1x5x h GLU 87 Cb 1.32 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1x5x h GLU 87 CO -0.00 1.31 0.00 0.41 -1.00 0.00 0.00 179.01 179.72 1x5x n GLY 88 N 1.53 1.27 3.86 -3.84 0.00 0.26 -4.89 105.19 103.37 1x5x n GLY 88 Ca -0.14 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 1x5x n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5x s LYS 89 N -0.70 2.29 0.00 1.61 1.02 -1.26 0.20 119.74 122.89 1x5x s LYS 89 Ca 0.00 -1.94 0.00 0.00 0.02 0.00 0.00 55.97 54.05 1x5x s LYS 89 Cb 0.00 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 1x5x s LYS 89 CO 0.00 -0.44 0.00 0.45 -0.92 0.00 0.00 175.35 174.44 1x5x n SER 90 N -1.59 0.88 -4.85 2.83 2.88 -1.16 -1.01 113.62 111.60 1x5x n SER 90 Ca -0.02 -0.52 -0.33 0.00 -1.33 0.00 0.00 58.87 56.67 1x5x n SER 90 Cb 0.64 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.04 1x5x n SER 90 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1x5x s ASN 91 N -0.04 6.79 0.86 -3.46 0.01 -1.26 -4.89 114.94 112.94 1x5x s ASN 91 Ca 0.00 1.26 -0.12 0.00 -0.71 0.00 0.00 52.86 53.30 1x5x s ASN 91 Cb 0.00 -2.37 0.10 0.00 0.41 0.00 0.00 41.25 39.40 1x5x s ASN 91 CO 0.00 -0.17 1.12 -2.16 -1.51 0.00 0.00 177.10 174.37 1x5x s PRO 92 N -2.88 1.60 0.23 -0.60 0.04 -1.26 -4.50 135.00 127.63 1x5x s PRO 92 Ca 0.53 0.46 0.06 0.00 0.04 0.00 0.00 61.00 62.09 1x5x s PRO 92 Cb -0.11 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1x5x s PRO 92 CO 0.18 -1.91 0.24 0.45 0.04 0.00 0.00 177.00 176.00 1x5x s SER 93 N -3.97 5.79 -0.46 6.66 0.15 -0.75 -4.83 113.70 116.29 1x5x s SER 93 Ca 0.62 -0.13 -0.46 0.00 0.70 0.00 0.00 55.95 56.69 1x5x s SER 93 Cb -0.15 -1.56 -0.20 0.00 -1.71 0.00 0.00 66.02 62.41 1x5x s SER 93 CO 0.54 -0.03 1.54 -0.62 1.20 0.00 0.00 173.24 175.87 1x5x n GLU 94 N -1.12 0.00 -2.07 5.44 -0.58 -1.26 -4.52 120.64 116.53 1x5x n GLU 94 Ca -0.08 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.23 1x5x n GLU 94 Cb 0.57 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.93 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 2.74 3.65 0.41 2.62 1.01 -1.26 -4.66 120.40 124.90 1x5x s VAL 95 Ca 1.03 0.82 0.08 0.00 0.00 0.00 0.00 61.98 63.91 1x5x s VAL 95 Cb -1.46 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 31.38 1x5x s VAL 95 CO 0.79 -0.06 0.50 0.68 0.00 0.00 0.00 175.10 177.00 1x5x s VAL 96 N 3.78 2.93 0.03 2.92 -7.23 -0.55 -4.94 120.40 117.33 1x5x s VAL 96 Ca 0.70 -1.12 0.04 0.00 -1.81 0.00 0.00 61.98 59.79 1x5x s VAL 96 Cb -0.32 -3.02 -0.02 0.00 0.56 0.00 0.00 36.38 33.58 1x5x s VAL 96 CO 0.28 -0.01 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.25 1x5x s GLU 97 N -4.26 0.75 0.04 4.82 2.12 -1.26 -2.05 118.70 118.86 1x5x s GLU 97 Ca 0.52 -0.61 -0.08 0.00 0.36 0.00 0.00 54.97 55.16 1x5x s GLU 97 Cb -0.08 -0.70 -0.00 0.00 0.26 0.00 0.00 34.13 33.62 1x5x s GLU 97 CO 0.31 0.17 0.17 -0.06 -0.54 0.00 0.00 175.26 175.31 1x5x s PHE 98 N -0.76 0.10 0.05 5.30 0.08 -1.08 -5.03 117.98 116.65 1x5x s PHE 98 Ca -0.01 -0.34 0.06 0.00 0.12 0.00 0.00 56.93 56.77 1x5x s PHE 98 Cb -0.07 -0.06 -0.03 0.00 -0.57 0.00 0.00 43.02 42.29 1x5x s PHE 98 CO 0.01 -0.41 -0.18 0.99 -0.10 0.00 0.00 175.22 175.53 1x5x s THR 99 N -2.56 1.43 0.68 0.64 2.01 -1.26 -2.71 115.64 113.87 1x5x s THR 99 Ca -0.05 -1.20 -0.01 0.00 0.31 0.00 0.00 61.69 60.74 1x5x s THR 99 Cb -0.01 -1.28 0.10 0.00 0.01 0.00 0.00 72.50 71.32 1x5x s THR 99 CO -0.04 0.05 0.95 0.42 -0.69 0.00 0.00 174.62 175.31 1x5x s THR 100 N -0.92 2.27 0.45 -0.82 -4.23 -1.24 -4.86 115.64 106.30 1x5x s THR 100 Ca 0.04 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 60.00 1x5x s THR 100 Cb -0.09 -2.70 0.01 0.00 1.34 0.00 0.00 72.50 71.06 1x5x s THR 100 CO 0.02 0.00 0.65 0.00 -0.54 0.00 0.00 174.62 174.75 1x5x s PRO 102 N -4.52 4.36 -0.16 0.00 0.04 -1.26 -2.56 135.00 130.90 1x5x s PRO 102 Ca 0.51 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 63.03 1x5x s PRO 102 Cb -0.10 -2.81 -0.10 0.00 0.04 0.00 0.00 34.50 31.53 1x5x s PRO 102 CO 0.36 0.01 0.07 0.22 0.04 0.00 0.00 177.00 177.70 1x5x h ASP 103 N 3.04 0.00 -5.30 6.66 1.82 -1.93 -3.48 116.42 117.24 1x5x h ASP 103 Ca -0.48 -0.26 -0.11 0.00 -0.39 0.00 0.00 57.03 55.79 1x5x h ASP 103 Cb 1.21 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 41.10 1x5x h ASP 103 CO 0.64 0.98 -0.30 -0.55 -1.61 0.00 0.00 179.24 178.40 1x5x s SER 104 N -6.12 0.02 0.00 2.28 0.15 -1.26 -5.12 113.70 103.65 1x5x s SER 104 Ca -0.18 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 55.53 1x5x s SER 104 Cb 0.02 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1x5x s SER 104 CO 0.35 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.45 1x5x n GLY 105 N -0.27 2.10 3.78 9.45 0.00 -1.26 -5.13 105.19 113.86 1x5x n GLY 105 Ca -0.05 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.27 4.08 -0.73 1.61 0.04 -1.26 -5.00 135.00 133.47 1x5x s PRO 106 Ca 0.00 1.49 -0.16 0.00 0.04 0.00 0.00 61.00 62.37 1x5x s PRO 106 Cb 0.00 -2.45 0.17 0.00 0.04 0.00 0.00 34.50 32.26 1x5x s PRO 106 CO 0.00 -0.21 0.73 -1.54 0.04 0.00 0.00 177.00 176.02 1x5x s SER 107 N -1.63 6.51 0.00 6.66 1.04 -1.26 -4.88 113.70 120.14 1x5x s SER 107 Ca 0.60 -2.18 0.00 0.00 0.48 0.00 0.00 55.95 54.85 1x5x s SER 107 Cb -0.21 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1x5x s SER 107 CO 0.26 -0.79 0.00 -0.24 0.98 0.00 0.00 173.24 173.45 1x5x n SER 108 N 4.99 0.00 0.00 7.02 2.88 -1.26 -5.38 113.62 121.87 1x5x n SER 108 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1x5x n SER 108 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1x5x n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42