#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5x n SER 2 N 0.00 0.00 0.15 1.61 2.88 -1.26 -3.37 113.62 113.63 1x5x n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x5x n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1x5x n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x5x n SER 3 N 2.68 -1.03 0.00 -3.46 3.41 -1.26 -5.12 113.62 108.84 1x5x n SER 3 Ca 0.00 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1x5x n SER 3 Cb 0.00 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 1x5x n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5x n GLY 4 N 0.78 0.39 0.39 5.00 0.00 -1.22 -5.12 105.19 105.41 1x5x n GLY 4 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 1x5x n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5x n SER 5 N 0.00 0.25 -0.33 1.61 7.64 -1.26 -5.14 113.62 116.39 1x5x n SER 5 Ca 0.00 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1x5x n SER 5 Cb 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1x5x n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x5x n SER 6 N -2.75 -2.42 0.00 6.43 2.88 -1.26 -5.11 113.62 111.39 1x5x n SER 6 Ca -0.01 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1x5x n SER 6 Cb 0.05 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1x5x n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5x n GLY 7 N -1.12 2.86 3.78 0.46 0.00 -1.26 -4.93 105.19 104.98 1x5x n GLY 7 Ca 0.00 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 3.32 4.16 1.15 1.61 0.04 -1.26 -4.97 135.00 139.04 1x5x s PRO 8 Ca 0.00 1.53 -0.15 0.00 0.04 0.00 0.00 61.00 62.42 1x5x s PRO 8 Cb 0.00 -2.55 0.27 0.00 0.04 0.00 0.00 34.50 32.25 1x5x s PRO 8 CO 0.00 -0.15 1.05 -1.54 0.04 0.00 0.00 177.00 176.40 1x5x s SER 9 N -1.54 1.23 -0.11 6.66 1.04 -1.26 -4.80 113.70 114.92 1x5x s SER 9 Ca 0.58 1.15 -0.31 0.00 0.48 0.00 0.00 55.95 57.85 1x5x s SER 9 Cb -0.22 -1.77 -0.08 0.00 0.10 0.00 0.00 66.02 64.04 1x5x s SER 9 CO 0.28 -3.99 2.07 0.80 0.98 0.00 0.00 173.24 173.38 1x5x n MET 10 N -4.74 2.25 -1.56 4.02 1.56 -1.26 -4.85 117.12 112.54 1x5x n MET 10 Ca 0.06 0.75 -0.30 0.00 -0.27 0.00 0.00 57.70 57.94 1x5x n MET 10 Cb 0.57 -2.97 0.08 0.00 2.15 0.00 0.00 33.22 33.05 1x5x n MET 10 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1x5x s PRO 11 N 5.24 2.23 0.13 2.12 0.04 -1.26 -4.83 135.00 138.67 1x5x s PRO 11 Ca 0.96 0.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 1x5x s PRO 11 Cb -0.49 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 1x5x s PRO 11 CO 0.42 -1.53 0.92 0.00 0.04 0.00 0.00 177.00 176.85 1x5x s ALA 12 N -3.14 3.29 0.45 8.56 0.00 -1.26 -4.73 121.76 124.93 1x5x s ALA 12 Ca 0.60 0.53 -0.21 0.00 0.00 0.00 0.00 51.96 52.89 1x5x s ALA 12 Cb -0.14 -3.21 -0.13 0.00 0.00 0.00 0.00 23.12 19.64 1x5x s ALA 12 CO 0.54 0.05 0.34 0.43 0.00 0.00 0.00 175.76 177.12 1x5x n SER 13 N 2.48 -1.77 -4.78 0.00 7.64 -1.26 -4.60 113.62 111.33 1x5x n SER 13 Ca 0.00 0.83 -0.37 0.00 1.01 0.00 0.00 58.87 60.34 1x5x n SER 13 Cb 0.49 -1.03 -0.04 0.00 -1.01 0.00 0.00 64.21 62.62 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 -1.44 4.20 0.34 1.43 0.04 -1.26 -4.86 135.00 133.45 1x5x s PRO 14 Ca 0.62 1.55 0.08 0.00 0.04 0.00 0.00 61.00 63.29 1x5x s PRO 14 Cb -0.57 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 1x5x s PRO 14 CO 0.60 -0.11 0.22 0.54 0.04 0.00 0.00 177.00 178.28 1x5x s VAL 15 N -1.60 3.26 -0.26 -0.36 0.11 0.49 -4.84 120.40 117.19 1x5x s VAL 15 Ca 0.56 -1.54 -0.02 0.00 -2.93 0.00 0.00 61.98 58.05 1x5x s VAL 15 Cb -0.23 -3.08 0.03 0.00 -1.53 0.00 0.00 36.38 31.57 1x5x s VAL 15 CO 0.29 -0.18 -0.03 -0.22 -3.33 0.00 0.00 175.10 171.63 1x5x s LEU 16 N -3.92 3.38 -0.12 2.54 2.96 -1.26 0.19 118.68 122.44 1x5x s LEU 16 Ca 0.39 -0.89 -0.26 0.00 -0.22 0.00 0.00 54.13 53.15 1x5x s LEU 16 Cb -0.04 -1.70 -0.27 0.00 0.50 0.00 0.00 46.19 44.68 1x5x s LEU 16 CO 0.25 -0.15 0.75 0.71 -1.32 0.00 0.00 176.35 176.59 1x5x h THR 17 N 6.13 1.64 -3.45 3.68 1.35 -1.48 -3.46 112.91 117.31 1x5x h THR 17 Ca -0.31 -2.39 -0.29 0.00 -0.55 0.00 0.00 66.41 62.87 1x5x h THR 17 Cb 1.11 3.24 -0.34 0.00 -1.73 0.00 0.00 68.15 70.43 1x5x h THR 17 CO 0.57 0.62 -0.71 -0.75 -0.25 0.00 0.00 175.52 175.01 1x5x s LYS 18 N -2.29 -0.02 -0.30 4.72 2.20 -1.21 -5.06 119.74 117.78 1x5x s LYS 18 Ca -0.18 0.24 -0.11 0.00 -0.36 0.00 0.00 55.97 55.56 1x5x s LYS 18 Cb -0.01 -0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 36.02 1x5x s LYS 18 CO 0.72 -0.18 0.18 0.00 -0.36 0.00 0.00 175.35 175.71 1x5x s ALA 19 N 1.20 3.42 0.60 3.13 0.00 -1.26 -1.31 121.76 127.53 1x5x s ALA 19 Ca -0.08 -1.24 0.07 0.00 0.00 0.00 0.00 51.96 50.71 1x5x s ALA 19 Cb -0.13 -2.46 0.09 0.00 0.00 0.00 0.00 23.12 20.62 1x5x s ALA 19 CO -0.04 -0.73 0.82 0.20 0.00 0.00 0.00 175.76 176.02 1x5x s GLY 20 N 1.70 1.76 -0.04 0.00 0.00 0.73 -4.44 107.32 107.04 1x5x s GLY 20 Ca 0.06 -1.98 -0.21 0.00 0.00 0.00 0.00 44.72 42.60 1x5x s GLY 20 CO 0.09 -1.52 0.90 -2.22 0.00 0.00 0.00 173.10 170.35 1x5x h ILE 21 N 0.03 1.46 0.00 0.90 2.04 -1.91 -2.54 117.51 117.48 1x5x h ILE 21 Ca -0.33 -2.56 -0.02 0.00 1.00 0.00 0.00 64.86 62.95 1x5x h ILE 21 Cb 1.28 3.16 -0.05 0.00 -0.74 0.00 0.00 36.82 40.47 1x5x h ILE 21 CO 0.41 0.73 -0.47 0.35 0.00 0.00 0.00 178.15 179.17 1x5x n THR 22 N -4.05 1.76 -3.50 -0.27 -2.24 -1.26 -3.51 114.28 101.21 1x5x n THR 22 Ca -0.15 -2.62 -0.15 0.00 -2.27 0.00 0.00 64.05 58.85 1x5x n THR 22 Cb 0.87 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 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 -2.61 -0.59 -0.15 4.78 1.48 -1.26 -2.57 118.94 118.03 1x5x s TRP 23 Ca 0.35 0.83 -0.04 0.00 -1.06 0.00 0.00 56.10 56.18 1x5x s TRP 23 Cb 0.34 0.46 0.05 0.00 -1.16 0.00 0.00 33.47 33.16 1x5x s TRP 23 CO -0.06 -0.65 0.07 -0.51 -4.06 0.00 0.00 176.95 171.74 1x5x s LEU 24 N -1.65 0.52 -0.64 -4.66 1.43 -0.92 -0.19 118.68 112.56 1x5x s LEU 24 Ca -0.06 -0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 52.29 1x5x s LEU 24 Cb -0.00 -0.32 0.05 0.00 0.03 0.00 0.00 46.19 45.95 1x5x s LEU 24 CO 0.02 -0.31 1.01 -0.44 0.23 0.00 0.00 176.35 176.86 1x5x s SER 25 N 2.07 6.22 0.73 2.29 0.01 -0.43 -1.44 113.70 123.15 1x5x s SER 25 Ca 0.02 -0.69 -0.04 0.00 1.31 0.00 0.00 55.95 56.55 1x5x s SER 25 Cb -0.15 -2.45 0.11 0.00 0.21 0.00 0.00 66.02 63.74 1x5x s SER 25 CO -0.08 -1.44 1.02 -0.76 0.41 0.00 0.00 173.24 172.39 1x5x s LEU 26 N 4.31 2.95 -0.27 2.44 1.43 -1.00 -1.35 118.68 127.18 1x5x s LEU 26 Ca 0.27 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.21 1x5x s LEU 26 Cb -0.14 -2.40 0.10 0.00 0.03 0.00 0.00 46.19 43.79 1x5x s LEU 26 CO 0.14 -1.84 0.62 -1.58 0.23 0.00 0.00 176.35 173.92 1x5x s GLN 27 N -5.23 0.58 0.14 1.70 0.74 0.50 -3.80 119.66 114.29 1x5x s GLN 27 Ca 0.65 1.29 0.03 0.00 0.05 0.00 0.00 55.36 57.38 1x5x s GLN 27 Cb -0.07 0.52 -0.04 0.00 1.10 0.00 0.00 33.01 34.51 1x5x s GLN 27 CO 0.45 -0.19 -0.06 1.67 -0.55 0.00 0.00 175.29 176.61 1x5x s TRP 28 N 2.36 1.13 0.23 1.67 -2.14 -1.19 0.18 118.94 121.19 1x5x s TRP 28 Ca -0.07 -0.88 0.03 0.00 2.66 0.00 0.00 56.10 57.84 1x5x s TRP 28 Cb -0.10 -0.62 -0.05 0.00 -3.10 0.00 0.00 33.47 29.60 1x5x s TRP 28 CO -0.18 -0.07 0.01 -1.12 -2.66 0.00 0.00 176.95 172.93 1x5x s SER 29 N -3.13 1.64 0.81 -2.66 0.01 -1.26 -4.55 113.70 104.55 1x5x s SER 29 Ca 0.17 -1.24 -0.10 0.00 1.31 0.00 0.00 55.95 56.09 1x5x s SER 29 Cb 0.04 0.05 0.08 0.00 0.21 0.00 0.00 66.02 66.40 1x5x s SER 29 CO -0.00 -0.56 1.10 -1.59 0.41 0.00 0.00 173.24 172.60 1x5x s LYS 30 N -3.90 1.97 0.60 12.44 -2.85 -1.26 -4.43 119.74 122.32 1x5x s LYS 30 Ca 0.29 1.24 -0.15 0.00 -1.00 0.00 0.00 55.97 56.35 1x5x s LYS 30 Cb 0.06 -1.86 -0.03 0.00 -2.06 0.00 0.00 37.83 33.94 1x5x s LYS 30 CO 0.09 -1.87 1.05 -1.25 0.10 0.00 0.00 175.35 173.47 1x5x s PRO 31 N -4.85 3.32 0.17 1.78 0.04 -1.26 -4.77 135.00 129.43 1x5x s PRO 31 Ca 0.62 1.13 -0.32 0.00 0.04 0.00 0.00 61.00 62.48 1x5x s PRO 31 Cb -0.18 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.21 1x5x s PRO 31 CO 0.56 -0.80 1.75 0.45 0.04 0.00 0.00 177.00 179.01 1x5x s SER 32 N -2.99 6.41 -0.08 6.66 0.15 -1.26 -4.12 113.70 118.46 1x5x s SER 32 Ca 0.62 2.81 -0.06 0.00 0.70 0.00 0.00 55.95 60.02 1x5x s SER 32 Cb -0.15 -2.59 0.02 0.00 -1.71 0.00 0.00 66.02 61.60 1x5x s SER 32 CO 0.39 -0.97 0.12 0.61 1.20 0.00 0.00 173.24 174.59 1x5x n GLY 33 N 4.06 -3.18 3.86 9.45 0.00 -1.26 -4.95 105.19 113.16 1x5x n GLY 33 Ca 0.16 0.86 -0.31 0.00 0.00 0.00 0.00 46.02 46.73 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 -0.38 4.68 -0.75 2.61 -4.23 -1.26 -4.93 115.64 111.39 1x5x s THR 34 Ca -0.13 0.87 -0.06 0.00 -1.18 0.00 0.00 61.69 61.18 1x5x s THR 34 Cb 0.01 -3.76 -0.12 0.00 1.34 0.00 0.00 72.50 69.96 1x5x s THR 34 CO 0.36 -0.73 2.62 -0.81 -0.54 0.00 0.00 174.62 175.52 1x5x n PRO 35 N -1.76 2.28 -3.17 3.99 -0.04 -1.26 -4.70 135.00 130.33 1x5x n PRO 35 Ca 0.05 -1.37 -0.01 0.00 -0.04 0.00 0.00 63.50 62.12 1x5x n PRO 35 Cb 0.54 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1x5x n PRO 35 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5x n SER 36 N 3.42 -6.61 0.00 3.54 7.64 -1.26 -4.98 113.62 115.38 1x5x n SER 36 Ca 0.49 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1x5x n SER 36 Cb 0.37 -1.77 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 1x5x n SER 36 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1x5x n ASP 37 N 1.22 0.00 -4.46 6.43 8.00 -1.26 -5.09 116.55 121.38 1x5x n ASP 37 Ca -0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.06 1x5x n ASP 37 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 1x5x n ASP 37 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1x5x s GLU 38 N -0.01 3.45 0.00 -1.24 2.02 -1.26 -4.41 118.70 117.25 1x5x s GLU 38 Ca 0.00 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.55 1x5x s GLU 38 Cb 0.00 -4.74 0.00 0.00 0.10 0.00 0.00 34.13 29.49 1x5x s GLU 38 CO 0.00 -1.81 0.00 0.41 0.02 0.00 0.00 175.26 173.88 1x5x n GLY 39 N 5.54 0.00 3.84 -1.39 0.00 -1.26 -5.15 105.19 106.76 1x5x n GLY 39 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 4.66 0.42 -0.61 1.01 -1.26 -4.82 121.20 120.59 1x5x s ILE 40 Ca 0.00 1.04 0.07 0.00 0.00 0.00 0.00 60.65 61.76 1x5x s ILE 40 Cb 0.00 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 1x5x s ILE 40 CO 0.00 -0.02 0.16 -0.44 0.00 0.00 0.00 174.94 174.64 1x5x s SER 41 N -2.03 4.35 -0.10 3.58 0.01 -0.92 -4.83 113.70 113.76 1x5x s SER 41 Ca 0.49 -1.14 -0.04 0.00 1.31 0.00 0.00 55.95 56.57 1x5x s SER 41 Cb -0.13 -0.41 0.05 0.00 0.21 0.00 0.00 66.02 65.75 1x5x s SER 41 CO 0.19 -0.56 0.22 -0.31 0.41 0.00 0.00 173.24 173.19 1x5x s TYR 42 N -2.63 -0.31 -0.24 2.43 1.51 -1.21 -2.12 117.35 114.79 1x5x s TYR 42 Ca 0.39 0.77 -0.10 0.00 -1.01 0.00 0.00 57.07 57.11 1x5x s TYR 42 Cb 0.04 -0.05 -0.05 0.00 -0.11 0.00 0.00 41.96 41.79 1x5x s TYR 42 CO 0.21 -0.27 0.15 0.42 -1.11 0.00 0.00 175.55 174.95 1x5x s ILE 43 N 1.79 5.24 -0.31 2.71 1.01 0.50 -4.23 121.20 127.92 1x5x s ILE 43 Ca -0.04 0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 1x5x s ILE 43 Cb -0.11 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1x5x s ILE 43 CO -0.08 0.35 0.54 -0.22 0.00 0.00 0.00 174.94 175.53 1x5x s LEU 44 N 1.05 4.18 0.32 2.97 2.96 -1.21 -0.52 118.68 128.43 1x5x s LEU 44 Ca 0.07 0.29 0.07 0.00 -0.22 0.00 0.00 54.13 54.34 1x5x s LEU 44 Cb -0.14 -2.66 -0.02 0.00 0.50 0.00 0.00 46.19 43.87 1x5x s LEU 44 CO 0.04 -0.40 0.33 -1.61 -1.32 0.00 0.00 176.35 173.39 1x5x s GLU 45 N 2.41 2.87 -0.28 1.98 2.02 -0.98 -1.31 118.70 125.41 1x5x s GLU 45 Ca 0.21 -1.18 -0.21 0.00 0.02 0.00 0.00 54.97 53.81 1x5x s GLU 45 Cb -0.15 -2.58 0.08 0.00 0.10 0.00 0.00 34.13 31.58 1x5x s GLU 45 CO 0.11 0.13 0.75 1.41 0.02 0.00 0.00 175.26 177.68 1x5x s MET 46 N -4.02 0.74 -0.01 1.61 -2.45 -1.11 -3.06 119.30 111.00 1x5x s MET 46 Ca 0.41 1.04 0.08 0.00 -1.25 0.00 0.00 55.69 55.97 1x5x s MET 46 Cb -0.07 0.27 -0.02 0.00 1.25 0.00 0.00 34.83 36.26 1x5x s MET 46 CO 0.28 -0.12 -0.24 -2.00 1.05 0.00 0.00 175.02 173.99 1x5x s GLU 47 N 0.94 2.10 0.32 4.11 2.12 -1.14 -2.61 118.70 124.52 1x5x s GLU 47 Ca -0.04 -0.94 0.04 0.00 0.36 0.00 0.00 54.97 54.39 1x5x s GLU 47 Cb -0.05 -2.07 -0.02 0.00 0.26 0.00 0.00 34.13 32.25 1x5x s GLU 47 CO -0.09 0.56 0.47 -1.21 -0.54 0.00 0.00 175.26 174.45 1x5x s GLU 48 N -0.77 3.30 0.00 4.30 2.02 -1.25 -3.60 118.70 122.70 1x5x s GLU 48 Ca 0.11 -0.73 0.19 0.00 0.02 0.00 0.00 54.97 54.56 1x5x s GLU 48 Cb -0.10 -2.78 0.27 0.00 0.10 0.00 0.00 34.13 31.61 1x5x s GLU 48 CO -0.00 0.17 1.21 -0.85 0.02 0.00 0.00 175.26 175.81 1x5x n GLU 49 N -1.64 2.00 -4.06 1.61 -0.00 -1.26 -4.77 120.64 112.52 1x5x n GLU 49 Ca -0.04 -1.89 -0.34 0.00 -0.00 0.00 0.00 57.16 54.89 1x5x n GLU 49 Cb 0.57 -1.40 -0.15 0.00 -0.00 0.00 0.00 31.44 30.46 1x5x n GLU 49 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1x5x s THR 50 N -1.42 2.52 0.38 3.84 -4.23 -1.26 -5.00 115.64 110.47 1x5x s THR 50 Ca 0.28 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1x5x s THR 50 Cb 0.17 -2.10 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1x5x s THR 50 CO 0.25 0.50 0.00 -0.24 -0.54 0.00 0.00 174.62 174.59 1x5x n SER 51 N 4.66 -6.27 -4.59 3.99 2.88 -1.26 -4.70 113.62 108.33 1x5x n SER 51 Ca -0.20 0.97 -0.46 0.00 -1.33 0.00 0.00 58.87 57.85 1x5x n SER 51 Cb 0.50 -3.13 -0.04 0.00 -0.75 0.00 0.00 64.21 60.79 1x5x n SER 51 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5x n GLY 52 N -1.21 1.09 3.02 0.46 0.00 -1.26 -4.87 105.19 102.40 1x5x n GLY 52 Ca 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 46.02 46.85 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 6.73 -1.67 0.85 1.61 2.02 -1.26 -5.13 117.35 120.49 1x5x s TYR 53 Ca 1.00 -0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 57.50 1x5x s TYR 53 Cb -0.55 0.32 0.18 0.00 -0.40 0.00 0.00 41.96 41.50 1x5x s TYR 53 CO 0.43 -1.21 0.40 0.41 -1.57 0.00 0.00 175.55 174.01 1x5x n GLY 54 N 3.78 -2.22 3.72 0.71 0.00 -1.26 -3.77 105.19 106.16 1x5x n GLY 54 Ca 0.14 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.77 3.17 0.09 1.61 0.08 -1.26 -4.67 117.98 115.23 1x5x s PHE 55 Ca 0.31 0.85 0.08 0.00 0.12 0.00 0.00 56.93 58.29 1x5x s PHE 55 Cb -0.05 -3.77 -0.03 0.00 -0.57 0.00 0.00 43.02 38.59 1x5x s PHE 55 CO 0.26 -2.75 -0.22 0.15 -0.10 0.00 0.00 175.22 172.56 1x5x s LYS 56 N 0.98 1.25 -0.03 0.44 -0.14 -1.07 -4.86 119.74 116.30 1x5x s LYS 56 Ca 0.66 -1.13 -0.30 0.00 -1.36 0.00 0.00 55.97 53.84 1x5x s LYS 56 Cb -0.40 -1.51 -0.04 0.00 -1.68 0.00 0.00 37.83 34.21 1x5x s LYS 56 CO 0.32 0.36 1.21 -1.25 -0.76 0.00 0.00 175.35 175.23 1x5x s PRO 57 N -1.73 4.36 -0.15 -1.68 0.04 -1.26 -2.76 135.00 131.82 1x5x s PRO 57 Ca 0.08 1.71 0.07 0.00 0.04 0.00 0.00 61.00 62.90 1x5x s PRO 57 Cb -0.10 -3.52 -0.14 0.00 0.04 0.00 0.00 34.50 30.78 1x5x s PRO 57 CO 0.04 -0.42 -0.05 1.63 0.04 0.00 0.00 177.00 178.24 1x5x n LYS 58 N 4.99 1.14 -4.33 4.56 5.02 -0.43 -5.01 118.16 124.10 1x5x n LYS 58 Ca 0.11 0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.20 1x5x n LYS 58 Cb 0.46 -1.35 -0.12 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.34 1.89 -0.47 2.13 5.04 -1.23 -5.00 117.35 117.37 1x5x s TYR 59 Ca -0.15 -0.43 0.07 0.00 -2.44 0.00 0.00 57.07 54.12 1x5x s TYR 59 Cb 0.05 -0.99 0.19 0.00 0.35 0.00 0.00 41.96 41.56 1x5x s TYR 59 CO 0.49 0.29 0.71 -0.51 -1.34 0.00 0.00 175.55 175.18 1x5x s ASP 60 N -2.30 -1.44 0.06 4.32 1.11 -1.26 -3.33 116.67 113.83 1x5x s ASP 60 Ca 0.12 -1.33 -0.01 0.00 0.18 0.00 0.00 52.55 51.52 1x5x s ASP 60 Cb -0.08 1.87 0.00 0.00 1.07 0.00 0.00 42.92 45.78 1x5x s ASP 60 CO 0.06 -0.09 0.08 0.61 1.18 0.00 0.00 175.17 177.01 1x5x n GLY 61 N 3.49 2.77 2.65 0.21 0.00 -1.26 -5.06 105.19 108.00 1x5x n GLY 61 Ca 0.15 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 1x5x n GLY 61 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x5x n GLU 62 N -0.09 3.11 -4.43 1.61 0.28 -1.26 -3.34 120.64 116.52 1x5x n GLU 62 Ca -0.00 -4.01 -0.26 0.00 -0.16 0.00 0.00 57.16 52.72 1x5x n GLU 62 Cb 0.09 -2.26 -0.11 0.00 1.43 0.00 0.00 31.44 30.58 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 -2.39 3.44 -0.36 -1.84 1.01 -1.26 -5.03 116.67 110.24 1x5x s ASP 63 Ca 0.50 -0.89 0.07 0.00 0.71 0.00 0.00 52.55 52.95 1x5x s ASP 63 Cb 0.42 -0.26 0.61 0.00 1.01 0.00 0.00 42.92 44.71 1x5x s ASP 63 CO -0.28 0.11 1.70 0.18 0.21 0.00 0.00 175.17 177.09 1x5x n LEU 64 N 0.15 5.50 -3.62 1.23 4.77 -1.26 -4.76 117.00 119.01 1x5x n LEU 64 Ca -0.12 -3.59 -0.09 0.00 -0.03 0.00 0.00 56.01 52.18 1x5x n LEU 64 Cb 0.56 -0.73 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 1x5x n LEU 64 CO 0.30 1.08 0.78 0.00 -1.33 0.00 0.00 177.39 178.22 1x5x s ALA 65 N -3.22 -1.97 0.10 -1.18 0.00 -1.26 -3.14 121.76 111.08 1x5x s ALA 65 Ca 0.51 1.77 -0.14 0.00 0.00 0.00 0.00 51.96 54.11 1x5x s ALA 65 Cb 0.44 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 22.35 1x5x s ALA 65 CO 0.07 -0.25 0.32 -0.47 0.00 0.00 0.00 175.76 175.43 1x5x s TYR 66 N -0.21 -0.09 -0.34 0.00 5.04 -1.25 -5.06 117.35 115.44 1x5x s TYR 66 Ca 0.02 -0.22 0.04 0.00 -2.44 0.00 0.00 57.07 54.46 1x5x s TYR 66 Cb -0.04 0.14 0.10 0.00 0.35 0.00 0.00 41.96 42.51 1x5x s TYR 66 CO -0.04 -0.62 0.05 0.99 -1.34 0.00 0.00 175.55 174.59 1x5x s THR 67 N -3.57 2.17 0.50 4.34 2.01 -1.26 -2.39 115.64 117.44 1x5x s THR 67 Ca 0.02 -2.27 -0.23 0.00 0.31 0.00 0.00 61.69 59.52 1x5x s THR 67 Cb 0.02 -2.61 -0.06 0.00 0.01 0.00 0.00 72.50 69.86 1x5x s THR 67 CO -0.10 -0.61 1.30 -0.69 -0.69 0.00 0.00 174.62 173.84 1x5x s VAL 68 N 0.96 2.42 0.12 3.82 1.01 -0.52 -4.85 120.40 123.36 1x5x s VAL 68 Ca 0.11 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1x5x s VAL 68 Cb -0.19 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1x5x s VAL 68 CO -0.09 0.01 0.01 -0.54 0.00 0.00 0.00 175.10 174.48 1x5x s LYS 69 N -2.73 0.91 -0.37 2.72 1.02 -1.26 -2.16 119.74 117.86 1x5x s LYS 69 Ca 0.67 -1.41 -0.02 0.00 0.02 0.00 0.00 55.97 55.23 1x5x s LYS 69 Cb -0.37 0.05 -0.02 0.00 -0.52 0.00 0.00 37.83 36.96 1x5x s LYS 69 CO 0.45 -0.17 0.33 -1.71 -0.92 0.00 0.00 175.35 173.33 1x5x n ASN 70 N -0.09 -3.87 -2.36 2.83 5.15 -1.06 -4.95 115.26 110.91 1x5x n ASN 70 Ca -0.08 -0.21 -0.04 0.00 -0.60 0.00 0.00 54.58 53.64 1x5x n ASN 70 Cb 0.63 -2.37 -0.01 0.00 -0.53 0.00 0.00 39.78 37.50 1x5x n ASN 70 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1x5x n LEU 71 N -1.95 0.00 -4.26 1.20 4.77 -1.18 -5.01 117.00 110.57 1x5x n LEU 71 Ca -0.02 -0.43 -0.22 0.00 -0.03 0.00 0.00 56.01 55.31 1x5x n LEU 71 Cb 0.53 0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.55 1x5x n LEU 71 CO 0.22 -0.06 -0.50 -0.13 -1.33 0.00 0.00 177.39 175.59 1x5x s ARG 72 N -2.25 1.06 0.50 3.23 0.52 -1.26 -4.74 118.95 116.02 1x5x s ARG 72 Ca 0.00 -1.14 -0.21 0.00 -0.52 0.00 0.00 55.73 53.86 1x5x s ARG 72 Cb 0.00 -1.23 -0.07 0.00 0.52 0.00 0.00 34.95 34.18 1x5x s ARG 72 CO 0.00 0.28 1.12 -0.98 0.02 0.00 0.00 175.30 175.74 1x5x s ARG 73 N -2.01 3.57 -0.76 3.54 1.70 -1.23 -3.94 118.95 119.84 1x5x s ARG 73 Ca 0.06 1.61 -0.06 0.00 -0.47 0.00 0.00 55.73 56.86 1x5x s ARG 73 Cb -0.09 -2.15 0.01 0.00 -0.57 0.00 0.00 34.95 32.15 1x5x s ARG 73 CO 0.04 -0.67 0.60 -1.13 -1.08 0.00 0.00 175.30 173.06 1x5x n SER 74 N -0.97 -4.78 -3.83 -2.89 3.41 -1.09 -4.95 113.62 98.52 1x5x n SER 74 Ca 0.10 -0.85 -0.09 0.00 -0.26 0.00 0.00 58.87 57.77 1x5x n SER 74 Cb 0.50 -1.56 -0.07 0.00 -0.26 0.00 0.00 64.21 62.83 1x5x n SER 74 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1x5x s THR 75 N -2.74 0.13 0.14 6.66 2.01 -1.25 -5.00 115.64 115.59 1x5x s THR 75 Ca 0.06 -1.11 0.08 0.00 0.31 0.00 0.00 61.69 61.02 1x5x s THR 75 Cb -0.01 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1x5x s THR 75 CO 0.88 -0.58 -0.08 -1.59 -0.69 0.00 0.00 174.62 172.56 1x5x s LYS 76 N -3.86 2.14 -0.18 4.92 0.00 -1.26 -2.94 119.74 118.56 1x5x s LYS 76 Ca 0.06 -1.13 -0.19 0.00 0.00 0.00 0.00 55.97 54.71 1x5x s LYS 76 Cb 0.04 -2.26 0.05 0.00 0.00 0.00 0.00 37.83 35.67 1x5x s LYS 76 CO -0.10 0.47 0.52 0.71 0.00 0.00 0.00 175.35 176.95 1x5x s TYR 77 N -1.47 -0.56 0.04 1.78 2.02 -1.12 -4.86 117.35 113.17 1x5x s TYR 77 Ca 0.24 1.34 -0.09 0.00 -0.37 0.00 0.00 57.07 58.18 1x5x s TYR 77 Cb -0.10 0.20 -0.05 0.00 -0.40 0.00 0.00 41.96 41.61 1x5x s TYR 77 CO 0.15 -0.30 0.34 0.15 -1.57 0.00 0.00 175.55 174.31 1x5x s LYS 78 N 0.11 3.69 0.01 -0.62 1.02 -1.24 -2.47 119.74 120.24 1x5x s LYS 78 Ca -0.01 0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.06 1x5x s LYS 78 Cb -0.04 -3.06 -0.01 0.00 -0.52 0.00 0.00 37.83 34.21 1x5x s LYS 78 CO 0.01 0.61 -0.02 -0.06 -0.92 0.00 0.00 175.35 174.98 1x5x s PHE 79 N -1.32 0.20 -0.12 3.18 0.08 0.18 -2.91 117.98 117.27 1x5x s PHE 79 Ca 0.29 -0.32 -0.05 0.00 0.12 0.00 0.00 56.93 56.97 1x5x s PHE 79 Cb -0.14 -0.14 0.06 0.00 -0.57 0.00 0.00 43.02 42.23 1x5x s PHE 79 CO 0.16 -0.11 0.26 -1.59 -0.10 0.00 0.00 175.22 173.85 1x5x s LYS 80 N -0.90 0.18 0.08 0.44 -2.85 -1.17 0.65 119.74 116.17 1x5x s LYS 80 Ca -0.09 0.66 -0.30 0.00 -1.00 0.00 0.00 55.97 55.24 1x5x s LYS 80 Cb -0.06 -0.07 -0.05 0.00 -2.06 0.00 0.00 37.83 35.59 1x5x s LYS 80 CO -0.01 -0.23 0.96 0.54 0.10 0.00 0.00 175.35 176.72 1x5x s VAL 81 N 1.88 4.59 -0.22 1.79 0.11 -1.26 -2.31 120.40 124.98 1x5x s VAL 81 Ca -0.04 2.05 0.01 0.00 -2.93 0.00 0.00 61.98 61.08 1x5x s VAL 81 Cb -0.11 -4.32 0.05 0.00 -1.53 0.00 0.00 36.38 30.47 1x5x s VAL 81 CO -0.09 0.28 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.23 1x5x s ILE 82 N 0.23 1.76 -0.21 7.04 1.01 0.32 -1.28 121.20 130.06 1x5x s ILE 82 Ca 0.48 -1.18 -0.19 0.00 0.00 0.00 0.00 60.65 59.75 1x5x s ILE 82 Cb -0.23 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 1x5x s ILE 82 CO 0.29 0.09 0.57 0.00 0.00 0.00 0.00 174.94 175.90 1x5x s ALA 83 N 1.32 3.56 0.15 9.38 0.00 -1.26 0.19 121.76 135.10 1x5x s ALA 83 Ca -0.03 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.58 1x5x s ALA 83 Cb -0.17 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1x5x s ALA 83 CO -0.07 -0.57 -0.10 1.52 0.00 0.00 0.00 175.76 176.53 1x5x s TYR 84 N 1.94 1.26 0.15 0.00 -0.85 -0.90 -2.60 117.35 116.35 1x5x s TYR 84 Ca 0.25 -0.76 0.09 0.00 -0.52 0.00 0.00 57.07 56.14 1x5x s TYR 84 Cb -0.16 -0.64 -0.04 0.00 0.38 0.00 0.00 41.96 41.50 1x5x s TYR 84 CO 0.10 0.08 -0.20 1.21 -1.52 0.00 0.00 175.55 175.21 1x5x s ASN 85 N -3.16 2.81 0.61 -0.18 3.84 0.59 -2.17 114.94 117.28 1x5x s ASN 85 Ca 0.16 -0.81 0.27 0.00 0.21 0.00 0.00 52.86 52.69 1x5x s ASN 85 Cb 0.03 -0.17 1.20 0.00 -0.55 0.00 0.00 41.25 41.75 1x5x s ASN 85 CO 0.00 0.03 1.62 0.28 -2.79 0.00 0.00 177.10 176.24 1x5x h SER 86 N 3.48 0.00 0.01 -4.21 0.02 -2.00 0.68 113.55 111.53 1x5x h SER 86 Ca -0.44 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.43 1x5x h SER 86 Cb 1.20 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.74 1x5x h SER 86 CO 0.47 0.00 -0.29 -0.33 -1.14 0.00 0.00 176.83 175.54 1x5x h GLU 87 N 0.00 0.18 0.00 3.45 5.08 -1.98 -3.49 114.58 117.81 1x5x h GLU 87 Ca 0.30 -0.20 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1x5x h GLU 87 Cb 1.88 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 1x5x h GLU 87 CO -0.00 0.96 0.29 0.41 -1.00 0.00 0.00 179.01 179.67 1x5x n GLY 88 N 1.14 0.92 3.51 -3.84 0.00 0.24 -5.09 105.19 102.07 1x5x n GLY 88 Ca -0.10 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.02 1.85 0.06 1.61 -2.85 -1.26 0.22 119.74 117.34 1x5x s LYS 89 Ca 0.11 -1.31 0.01 0.00 -1.00 0.00 0.00 55.97 53.78 1x5x s LYS 89 Cb -0.01 -2.07 0.01 0.00 -2.06 0.00 0.00 37.83 33.70 1x5x s LYS 89 CO 0.02 0.44 0.06 0.43 0.10 0.00 0.00 175.35 176.40 1x5x n SER 90 N 0.30 0.87 -4.81 0.03 7.64 -1.07 -4.76 113.62 111.81 1x5x n SER 90 Ca -0.12 -1.20 -0.32 0.00 1.01 0.00 0.00 58.87 58.23 1x5x n SER 90 Cb 0.55 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 -1.38 5.95 0.70 6.43 2.20 -1.26 -4.82 114.94 122.76 1x5x s ASN 91 Ca 0.05 1.75 -0.11 0.00 -0.94 0.00 0.00 52.86 53.61 1x5x s ASN 91 Cb -0.00 -2.53 0.01 0.00 -2.00 0.00 0.00 41.25 36.73 1x5x s ASN 91 CO 0.03 -1.05 1.06 -2.16 -2.94 0.00 0.00 177.10 172.04 1x5x s PRO 92 N -4.12 2.93 0.51 3.55 0.04 -1.26 -4.52 135.00 132.13 1x5x s PRO 92 Ca 0.62 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1x5x s PRO 92 Cb -0.15 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1x5x s PRO 92 CO 0.37 -1.11 0.74 0.45 0.04 0.00 0.00 177.00 177.50 1x5x s SER 93 N -3.79 5.52 -0.01 6.66 0.15 -0.41 -4.97 113.70 116.85 1x5x s SER 93 Ca 0.58 0.17 -0.38 0.00 0.70 0.00 0.00 55.95 57.02 1x5x s SER 93 Cb -0.14 -1.21 -0.18 0.00 -1.71 0.00 0.00 66.02 62.79 1x5x s SER 93 CO 0.55 -0.96 1.34 -0.62 1.20 0.00 0.00 173.24 174.74 1x5x n GLU 94 N -2.26 0.82 -2.32 5.44 1.02 -1.26 -4.54 120.64 117.54 1x5x n GLU 94 Ca 0.05 0.30 -0.42 0.00 -0.02 0.00 0.00 57.16 57.07 1x5x n GLU 94 Cb 0.59 -1.90 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 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 0.87 3.68 0.35 2.62 1.01 -1.26 -4.68 120.40 122.99 1x5x s VAL 95 Ca 0.89 1.24 0.09 0.00 0.00 0.00 0.00 61.98 64.19 1x5x s VAL 95 Cb -1.07 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 31.46 1x5x s VAL 95 CO 0.53 0.11 0.01 0.68 0.00 0.00 0.00 175.10 176.44 1x5x s VAL 96 N 0.89 2.52 0.14 2.92 -7.23 0.21 -4.91 120.40 114.94 1x5x s VAL 96 Ca 0.60 -1.98 0.05 0.00 -1.81 0.00 0.00 61.98 58.85 1x5x s VAL 96 Cb -0.33 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.76 1x5x s VAL 96 CO 0.31 -0.17 -0.12 -0.70 -0.31 0.00 0.00 175.10 174.10 1x5x s GLU 97 N -3.72 1.06 0.11 4.82 2.12 -1.26 0.48 118.70 122.31 1x5x s GLU 97 Ca 0.35 -1.35 -0.17 0.00 0.36 0.00 0.00 54.97 54.16 1x5x s GLU 97 Cb 0.01 -0.80 0.04 0.00 0.26 0.00 0.00 34.13 33.64 1x5x s GLU 97 CO 0.19 0.13 0.42 -0.06 -0.54 0.00 0.00 175.26 175.41 1x5x s PHE 98 N -2.68 -0.25 0.11 5.30 0.08 -1.03 -4.99 117.98 114.51 1x5x s PHE 98 Ca 0.13 0.00 0.10 0.00 0.12 0.00 0.00 56.93 57.28 1x5x s PHE 98 Cb -0.02 0.28 -0.04 0.00 -0.57 0.00 0.00 43.02 42.68 1x5x s PHE 98 CO 0.02 -0.69 -0.26 0.99 -0.10 0.00 0.00 175.22 175.18 1x5x s THR 99 N -3.53 2.14 0.44 0.64 2.01 -1.26 -2.81 115.64 113.27 1x5x s THR 99 Ca 0.01 -1.65 0.00 0.00 0.31 0.00 0.00 61.69 60.36 1x5x s THR 99 Cb 0.01 -1.89 0.09 0.00 0.01 0.00 0.00 72.50 70.72 1x5x s THR 99 CO -0.10 0.12 0.61 0.35 -0.69 0.00 0.00 174.62 174.91 1x5x n THR 100 N 1.11 0.00 -3.01 -0.82 -2.24 -1.15 -4.81 114.28 103.36 1x5x n THR 100 Ca -0.18 -0.99 -0.21 0.00 -2.27 0.00 0.00 64.05 60.41 1x5x n THR 100 Cb 0.53 -1.06 0.01 0.00 -2.10 0.00 0.00 70.33 67.72 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 -4.50 3.94 0.04 0.00 0.04 -1.26 -2.65 135.00 130.61 1x5x s PRO 102 Ca 0.51 1.42 0.07 0.00 0.04 0.00 0.00 61.00 63.03 1x5x s PRO 102 Cb -0.10 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 1x5x s PRO 102 CO 0.36 -0.32 -0.16 0.34 0.04 0.00 0.00 177.00 177.26 1x5x s ASP 103 N -1.81 3.92 -0.42 6.66 2.15 -1.26 -4.92 116.67 120.99 1x5x s ASP 103 Ca 0.64 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.23 1x5x s ASP 103 Cb -0.19 -0.68 0.23 0.00 -0.30 0.00 0.00 42.92 41.98 1x5x s ASP 103 CO 0.23 0.26 0.99 -0.24 -0.17 0.00 0.00 175.17 176.24 1x5x n SER 104 N 1.52 -2.24 0.00 -0.34 2.88 -1.26 -5.05 113.62 109.12 1x5x n SER 104 Ca -0.16 -2.13 0.00 0.00 -1.33 0.00 0.00 58.87 55.25 1x5x n SER 104 Cb 0.52 1.22 0.00 0.00 -0.75 0.00 0.00 64.21 65.20 1x5x n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5x n GLY 105 N 2.25 0.42 3.81 0.46 0.00 -1.26 -5.10 105.19 105.77 1x5x n GLY 105 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 3.35 -0.33 1.61 0.04 -1.26 -5.05 135.00 133.36 1x5x s PRO 106 Ca 0.00 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.18 1x5x s PRO 106 Cb 0.00 -2.04 0.13 0.00 0.04 0.00 0.00 34.50 32.63 1x5x s PRO 106 CO 0.00 -0.78 0.21 -1.54 0.04 0.00 0.00 177.00 174.93 1x5x s SER 107 N -2.94 2.84 -0.01 6.66 1.04 -1.26 -5.03 113.70 115.01 1x5x s SER 107 Ca 0.62 -1.80 -0.01 0.00 0.48 0.00 0.00 55.95 55.24 1x5x s SER 107 Cb -0.15 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.75 1x5x s SER 107 CO 0.38 -0.34 0.03 -0.24 0.98 0.00 0.00 173.24 174.05 1x5x n SER 108 N 4.46 -6.80 0.00 7.02 2.88 -1.26 -5.33 113.62 114.59 1x5x n SER 108 Ca 0.06 1.38 0.00 0.00 -1.33 0.00 0.00 58.87 58.99 1x5x n SER 108 Cb 0.40 -4.26 0.00 0.00 -0.75 0.00 0.00 64.21 59.60 1x5x n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42