#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 -0.39 0.04 1.61 0.01 -1.26 -5.05 113.70 108.66 1x5x s SER 2 Ca 0.00 0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.88 1x5x s SER 2 Cb 0.00 1.15 0.00 0.00 0.21 0.00 0.00 66.02 67.38 1x5x s SER 2 CO 0.00 -0.10 0.00 -0.24 0.41 0.00 0.00 173.24 173.31 1x5x n SER 3 N 3.52 -0.36 0.00 2.44 2.88 -1.26 -5.09 113.62 115.75 1x5x n SER 3 Ca -0.18 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1x5x n SER 3 Cb 0.57 0.56 0.00 0.00 -0.75 0.00 0.00 64.21 64.59 1x5x n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5x n GLY 4 N -1.09 1.91 3.15 0.46 0.00 -1.26 -4.74 105.19 103.61 1x5x n GLY 4 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.00 -1.26 -0.30 1.61 0.01 -1.26 -5.14 113.70 103.37 1x5x s SER 5 Ca 0.00 0.68 -0.07 0.00 1.31 0.00 0.00 55.95 57.87 1x5x s SER 5 Cb 0.00 2.01 0.15 0.00 0.21 0.00 0.00 66.02 68.39 1x5x s SER 5 CO 0.00 -0.24 0.62 -0.94 0.41 0.00 0.00 173.24 173.10 1x5x s SER 6 N 2.87 -1.19 0.00 2.44 1.04 -1.26 -5.13 113.70 112.47 1x5x s SER 6 Ca 0.16 1.30 0.00 0.00 0.48 0.00 0.00 55.95 57.90 1x5x s SER 6 Cb -0.13 2.22 0.00 0.00 0.10 0.00 0.00 66.02 68.21 1x5x s SER 6 CO -0.20 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1x5x n GLY 7 N 5.44 4.33 3.82 7.32 0.00 -1.26 -4.39 105.19 120.45 1x5x n GLY 7 Ca -0.08 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 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 -3.65 2.87 0.49 1.61 0.04 -1.26 -4.70 135.00 130.40 1x5x s PRO 8 Ca 0.00 0.93 -0.08 0.00 0.04 0.00 0.00 61.00 61.89 1x5x s PRO 8 Cb 0.00 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 32.68 1x5x s PRO 8 CO 0.00 -1.14 0.40 -1.13 0.04 0.00 0.00 177.00 175.17 1x5x n SER 9 N -3.15 -1.69 -4.64 6.66 3.41 -1.26 -4.70 113.62 108.24 1x5x n SER 9 Ca 0.07 -0.67 -0.43 0.00 -0.26 0.00 0.00 58.87 57.59 1x5x n SER 9 Cb 0.54 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1x5x n SER 9 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1x5x s MET 10 N -3.92 3.98 1.04 4.33 1.75 -1.26 -4.83 119.30 120.40 1x5x s MET 10 Ca 0.27 1.81 -0.16 0.00 -1.25 0.00 0.00 55.69 56.35 1x5x s MET 10 Cb -0.03 -3.97 0.22 0.00 2.84 0.00 0.00 34.83 33.89 1x5x s MET 10 CO 0.21 -1.06 1.20 -1.25 -0.65 0.00 0.00 175.02 173.47 1x5x s PRO 11 N 4.28 0.02 0.01 4.11 0.04 -1.26 -4.72 135.00 137.48 1x5x s PRO 11 Ca 0.69 -0.13 -0.15 0.00 0.04 0.00 0.00 61.00 61.44 1x5x s PRO 11 Cb -0.27 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 1x5x s PRO 11 CO 0.27 -2.87 0.43 0.00 0.04 0.00 0.00 177.00 174.87 1x5x s ALA 12 N -3.42 3.68 0.47 8.56 0.00 -1.24 -4.75 121.76 125.07 1x5x s ALA 12 Ca 0.71 -0.18 -0.20 0.00 0.00 0.00 0.00 51.96 52.29 1x5x s ALA 12 Cb -0.08 -2.43 -0.12 0.00 0.00 0.00 0.00 23.12 20.49 1x5x s ALA 12 CO 0.54 0.47 0.41 -1.13 0.00 0.00 0.00 175.76 176.05 1x5x n SER 13 N 1.80 -1.48 -4.70 0.00 3.41 -1.26 -4.24 113.62 107.15 1x5x n SER 13 Ca -0.13 0.82 -0.42 0.00 -0.26 0.00 0.00 58.87 58.87 1x5x n SER 13 Cb 0.52 -1.07 -0.03 0.00 -0.26 0.00 0.00 64.21 63.37 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 -1.59 4.41 0.58 4.33 0.04 -1.26 -4.70 135.00 136.81 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 -0.55 -3.44 0.13 0.00 0.04 0.00 0.00 34.50 30.68 1x5x s PRO 14 CO 0.59 -0.32 0.79 1.33 0.04 0.00 0.00 177.00 179.42 1x5x n VAL 15 N 4.21 0.00 -3.49 -0.36 0.24 0.25 -4.75 118.33 114.43 1x5x n VAL 15 Ca 0.10 -0.65 -0.28 0.00 -2.04 0.00 0.00 64.34 61.47 1x5x n VAL 15 Cb 0.47 -1.61 -0.13 0.00 -1.47 0.00 0.00 33.84 31.09 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 0.63 0.01 1.34 2.96 -1.26 -1.56 118.68 120.79 1x5x s LEU 16 Ca 0.45 -1.63 -0.25 0.00 -0.22 0.00 0.00 54.13 52.48 1x5x s LEU 16 Cb -0.01 -0.26 -0.15 0.00 0.50 0.00 0.00 46.19 46.26 1x5x s LEU 16 CO 0.32 -0.37 1.13 0.71 -1.32 0.00 0.00 176.35 176.81 1x5x h THR 17 N 5.76 0.36 -4.03 3.68 1.35 -1.47 -3.45 112.91 115.10 1x5x h THR 17 Ca -0.08 -0.48 -0.49 0.00 -0.55 0.00 0.00 66.41 64.81 1x5x h THR 17 Cb 1.00 0.52 -0.24 0.00 -1.73 0.00 0.00 68.15 67.71 1x5x h THR 17 CO 0.35 0.06 -0.81 -0.75 -0.25 0.00 0.00 175.52 174.12 1x5x s LYS 18 N -4.55 1.04 -0.21 4.72 2.20 -1.20 -5.05 119.74 116.70 1x5x s LYS 18 Ca -0.14 -0.89 -0.00 0.00 -0.36 0.00 0.00 55.97 54.58 1x5x s LYS 18 Cb 0.02 -1.12 0.02 0.00 -1.51 0.00 0.00 37.83 35.24 1x5x s LYS 18 CO 0.47 0.27 -0.13 0.00 -0.36 0.00 0.00 175.35 175.60 1x5x s ALA 19 N -0.96 2.53 0.36 3.13 0.00 -1.26 -1.40 121.76 124.16 1x5x s ALA 19 Ca 0.03 -1.35 0.07 0.00 0.00 0.00 0.00 51.96 50.71 1x5x s ALA 19 Cb -0.09 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 1x5x s ALA 19 CO 0.02 -0.59 0.48 0.20 0.00 0.00 0.00 175.76 175.87 1x5x s GLY 20 N 1.30 1.70 0.11 0.00 0.00 0.26 -4.52 107.32 106.17 1x5x s GLY 20 Ca 0.02 -1.53 -0.14 0.00 0.00 0.00 0.00 44.72 43.07 1x5x s GLY 20 CO -0.08 -1.42 1.41 -2.22 0.00 0.00 0.00 173.10 170.79 1x5x h ILE 21 N 0.85 1.30 0.00 0.90 2.04 -1.91 -3.17 117.51 117.51 1x5x h ILE 21 Ca -0.44 -1.55 -0.02 0.00 1.00 0.00 0.00 64.86 63.86 1x5x h ILE 21 Cb 1.26 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 1x5x h ILE 21 CO 0.51 0.50 -0.30 0.35 0.00 0.00 0.00 178.15 179.21 1x5x n THR 22 N -4.18 1.46 -3.60 -0.27 -2.24 -1.26 -3.46 114.28 100.73 1x5x n THR 22 Ca -0.04 -1.99 -0.14 0.00 -2.27 0.00 0.00 64.05 59.61 1x5x n THR 22 Cb 0.52 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 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 -2.20 -0.40 -0.14 4.78 1.48 -1.24 -2.16 118.94 119.06 1x5x s TRP 23 Ca 0.28 0.46 -0.04 0.00 -1.06 0.00 0.00 56.10 55.75 1x5x s TRP 23 Cb 0.26 0.31 0.07 0.00 -1.16 0.00 0.00 33.47 32.95 1x5x s TRP 23 CO -0.02 -0.61 0.17 -0.51 -4.06 0.00 0.00 176.95 171.92 1x5x s LEU 24 N -1.88 -0.00 -0.59 -4.66 1.43 -0.75 0.88 118.68 113.10 1x5x s LEU 24 Ca -0.06 -0.05 -0.23 0.00 -1.03 0.00 0.00 54.13 52.76 1x5x s LEU 24 Cb -0.01 0.21 0.06 0.00 0.03 0.00 0.00 46.19 46.48 1x5x s LEU 24 CO -0.01 -0.29 0.90 -0.55 0.23 0.00 0.00 176.35 176.63 1x5x s SER 25 N 2.27 6.25 0.32 2.29 0.15 -0.49 -0.69 113.70 123.81 1x5x s SER 25 Ca 0.04 -0.72 0.06 0.00 0.70 0.00 0.00 55.95 56.03 1x5x s SER 25 Cb -0.14 -2.40 -0.01 0.00 -1.71 0.00 0.00 66.02 61.75 1x5x s SER 25 CO -0.09 -1.26 0.46 -0.76 1.20 0.00 0.00 173.24 172.79 1x5x s LEU 26 N 3.77 4.02 -0.19 3.45 1.43 -0.71 -1.20 118.68 129.25 1x5x s LEU 26 Ca 0.24 -0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.16 1x5x s LEU 26 Cb -0.16 -2.78 0.09 0.00 0.03 0.00 0.00 46.19 43.38 1x5x s LEU 26 CO 0.14 -0.38 0.32 -1.10 0.23 0.00 0.00 176.35 175.57 1x5x s GLN 27 N -4.15 0.25 0.33 1.70 -0.21 -0.60 -2.78 119.66 114.20 1x5x s GLN 27 Ca 0.43 0.68 0.09 0.00 0.02 0.00 0.00 55.36 56.58 1x5x s GLN 27 Cb -0.09 -0.24 -0.05 0.00 1.00 0.00 0.00 33.01 33.62 1x5x s GLN 27 CO 0.31 -0.43 0.01 1.67 -2.12 0.00 0.00 175.29 174.74 1x5x s TRP 28 N 2.48 2.56 0.27 0.91 -2.14 -1.09 0.84 118.94 122.77 1x5x s TRP 28 Ca 0.04 -0.42 0.07 0.00 2.66 0.00 0.00 56.10 58.46 1x5x s TRP 28 Cb -0.13 -1.47 -0.06 0.00 -3.10 0.00 0.00 33.47 28.71 1x5x s TRP 28 CO -0.12 0.48 -0.07 -1.12 -2.66 0.00 0.00 176.95 173.46 1x5x s SER 29 N -3.72 2.78 0.55 -2.66 0.01 -1.26 -4.57 113.70 104.83 1x5x s SER 29 Ca 0.35 -1.17 -0.08 0.00 1.31 0.00 0.00 55.95 56.36 1x5x s SER 29 Cb -0.01 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 1x5x s SER 29 CO 0.19 -0.31 0.90 -1.59 0.41 0.00 0.00 173.24 172.85 1x5x s LYS 30 N -3.71 3.57 1.04 12.44 -2.85 -1.26 -3.68 119.74 125.29 1x5x s LYS 30 Ca 0.29 0.46 -0.16 0.00 -1.00 0.00 0.00 55.97 55.56 1x5x s LYS 30 Cb 0.03 -2.24 0.22 0.00 -2.06 0.00 0.00 37.83 33.78 1x5x s LYS 30 CO 0.11 -0.38 1.20 -1.25 0.10 0.00 0.00 175.35 175.14 1x5x s PRO 31 N -4.94 0.08 0.00 1.78 0.04 -1.26 -4.77 135.00 125.93 1x5x s PRO 31 Ca 0.51 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1x5x s PRO 31 Cb -0.11 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1x5x s PRO 31 CO 0.49 -2.84 0.03 0.43 0.04 0.00 0.00 177.00 175.16 1x5x n SER 32 N -4.13 0.00 -4.57 6.66 7.64 -1.26 -4.45 113.62 113.51 1x5x n SER 32 Ca 0.12 0.03 -0.25 0.00 1.01 0.00 0.00 58.87 59.78 1x5x n SER 32 Cb 0.59 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.73 1x5x n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5x s GLY 33 N -0.09 0.01 0.60 0.23 0.00 -1.26 -4.94 107.32 101.87 1x5x s GLY 33 Ca 0.00 -1.68 -0.14 0.00 0.00 0.00 0.00 44.72 42.91 1x5x s GLY 33 CO 0.00 3.62 1.03 -0.51 0.00 0.00 0.00 173.10 177.24 1x5x s THR 34 N 11.22 4.39 0.00 0.90 -4.23 -1.26 -4.44 115.64 122.21 1x5x s THR 34 Ca 0.72 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 62.18 1x5x s THR 34 Cb -0.05 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.13 1x5x s THR 34 CO 0.06 -0.85 0.00 -0.81 -0.54 0.00 0.00 174.62 172.48 1x5x n PRO 35 N -2.33 0.53 -1.99 3.99 -0.04 -1.26 -5.04 135.00 128.87 1x5x n PRO 35 Ca 0.07 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.24 1x5x n PRO 35 Cb 0.54 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.12 1x5x n PRO 35 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5x s SER 36 N -1.25 3.98 0.05 3.54 0.01 -1.26 -4.85 113.70 113.91 1x5x s SER 36 Ca 0.00 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.73 1x5x s SER 36 Cb 0.00 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.43 1x5x s SER 36 CO 0.00 -2.20 0.00 -0.67 0.41 0.00 0.00 173.24 170.78 1x5x n ASP 37 N -3.42 -7.58 -4.70 2.44 2.03 -1.26 -4.96 116.55 99.10 1x5x n ASP 37 Ca 0.11 1.32 -0.30 0.00 0.52 0.00 0.00 54.79 56.44 1x5x n ASP 37 Cb 0.60 -4.13 0.14 0.00 -0.72 0.00 0.00 41.12 37.01 1x5x n ASP 37 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1x5x s GLU 38 N -1.03 1.38 0.01 -0.67 2.56 -1.26 -4.75 118.70 114.94 1x5x s GLU 38 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 54.97 56.14 1x5x s GLU 38 Cb 0.00 -1.80 0.00 0.00 2.00 0.00 0.00 34.13 34.33 1x5x s GLU 38 CO 0.00 -2.26 0.00 0.41 -0.56 0.00 0.00 175.26 172.85 1x5x n GLY 39 N -0.60 -3.89 3.47 -1.50 0.00 -1.26 -5.06 105.19 96.35 1x5x n GLY 39 Ca 0.09 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.20 2.84 0.01 -0.61 1.01 -1.26 -5.02 121.20 117.97 1x5x s ILE 40 Ca 0.00 -1.18 0.05 0.00 0.00 0.00 0.00 60.65 59.51 1x5x s ILE 40 Cb 0.00 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 1x5x s ILE 40 CO 0.00 0.32 -0.12 -0.44 0.00 0.00 0.00 174.94 174.70 1x5x s SER 41 N -1.49 4.23 -0.04 3.58 0.01 -1.23 -4.50 113.70 114.26 1x5x s SER 41 Ca 0.15 -0.25 0.05 0.00 1.31 0.00 0.00 55.95 57.20 1x5x s SER 41 Cb -0.11 -0.87 -0.01 0.00 0.21 0.00 0.00 66.02 65.25 1x5x s SER 41 CO 0.06 0.28 -0.18 -0.31 0.41 0.00 0.00 173.24 173.50 1x5x s TYR 42 N -0.93 1.73 -0.36 2.43 1.51 -1.13 -1.25 117.35 119.35 1x5x s TYR 42 Ca 0.15 -0.45 -0.13 0.00 -1.01 0.00 0.00 57.07 55.63 1x5x s TYR 42 Cb -0.11 -1.15 0.00 0.00 -0.11 0.00 0.00 41.96 40.60 1x5x s TYR 42 CO 0.06 -0.13 0.24 0.42 -1.11 0.00 0.00 175.55 175.03 1x5x s ILE 43 N -0.09 5.07 -0.30 2.71 1.01 0.48 -4.01 121.20 126.07 1x5x s ILE 43 Ca -0.01 -0.48 -0.27 0.00 0.00 0.00 0.00 60.65 59.89 1x5x s ILE 43 Cb -0.10 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.67 1x5x s ILE 43 CO 0.01 -0.13 0.98 -0.22 0.00 0.00 0.00 174.94 175.58 1x5x s LEU 44 N 1.67 4.01 0.27 2.97 2.96 -1.23 -1.72 118.68 127.62 1x5x s LEU 44 Ca 0.05 0.99 0.06 0.00 -0.22 0.00 0.00 54.13 55.01 1x5x s LEU 44 Cb -0.18 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1x5x s LEU 44 CO 0.09 -0.75 0.35 -1.61 -1.32 0.00 0.00 176.35 173.11 1x5x s GLU 45 N 3.34 3.19 -0.29 1.98 2.02 -0.99 -2.16 118.70 125.79 1x5x s GLU 45 Ca 0.41 -0.93 -0.13 0.00 0.02 0.00 0.00 54.97 54.34 1x5x s GLU 45 Cb -0.13 -2.77 0.12 0.00 0.10 0.00 0.00 34.13 31.45 1x5x s GLU 45 CO 0.13 0.30 0.74 1.41 0.02 0.00 0.00 175.26 177.86 1x5x s MET 46 N -4.00 0.55 -0.13 1.61 -2.45 -1.09 -2.90 119.30 110.90 1x5x s MET 46 Ca 0.37 1.21 0.01 0.00 -1.25 0.00 0.00 55.69 56.03 1x5x s MET 46 Cb -0.09 0.53 -0.01 0.00 1.25 0.00 0.00 34.83 36.52 1x5x s MET 46 CO 0.28 -0.16 -0.15 -2.00 1.05 0.00 0.00 175.02 174.04 1x5x s GLU 47 N 2.34 3.30 0.12 4.11 -6.30 -1.18 -3.84 118.70 117.25 1x5x s GLU 47 Ca -0.07 -0.73 -0.28 0.00 -2.50 0.00 0.00 54.97 51.39 1x5x s GLU 47 Cb -0.08 -2.58 -0.06 0.00 0.00 0.00 0.00 34.13 31.40 1x5x s GLU 47 CO -0.19 0.16 1.61 0.93 0.02 0.00 0.00 175.26 177.79 1x5x h GLU 48 N 6.85 -0.49 0.00 4.30 3.07 -1.92 -3.21 114.58 123.18 1x5x h GLU 48 Ca -0.26 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1x5x h GLU 48 Cb 1.21 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 1x5x h GLU 48 CO 0.54 -0.32 0.00 -1.91 -1.40 0.00 0.00 179.01 175.92 1x5x n GLU 49 N -5.43 0.00 -3.65 2.33 2.13 -1.26 -4.71 120.64 110.06 1x5x n GLU 49 Ca -0.05 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.75 1x5x n GLU 49 Cb 0.34 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.00 1x5x n GLU 49 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1x5x s THR 50 N -1.99 0.00 0.18 6.31 -1.32 -1.26 -5.09 115.64 112.47 1x5x s THR 50 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1x5x s THR 50 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1x5x s THR 50 CO 0.00 0.00 0.00 -1.20 -2.21 0.00 0.00 174.62 171.21 1x5x n SER 51 N 0.69 -1.44 0.00 8.08 7.64 -1.26 -5.09 113.62 122.23 1x5x n SER 51 Ca -0.01 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1x5x n SER 51 Cb 0.59 1.60 0.00 0.00 -1.01 0.00 0.00 64.21 65.39 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 -1.00 -0.54 0.24 0.23 0.00 -1.26 -4.98 105.19 97.89 1x5x n GLY 52 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 46.02 46.38 1x5x n GLY 52 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1x5x h TYR 53 N 0.00 0.06 0.00 1.61 0.05 -2.05 -3.48 116.97 113.16 1x5x h TYR 53 Ca 0.00 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1x5x h TYR 53 Cb 0.00 0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.81 1x5x h TYR 53 CO 0.00 -0.13 0.00 0.41 -1.05 0.00 0.00 178.16 177.39 1x5x n GLY 54 N -1.36 0.03 3.72 3.88 0.00 -1.26 -5.04 105.19 105.17 1x5x n GLY 54 Ca 0.10 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 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 0.00 2.06 0.04 1.61 0.40 -1.26 -4.91 117.98 115.92 1x5x s PHE 55 Ca 0.00 1.66 0.04 0.00 -0.60 0.00 0.00 56.93 58.03 1x5x s PHE 55 Cb 0.00 -3.30 -0.02 0.00 0.51 0.00 0.00 43.02 40.21 1x5x s PHE 55 CO 0.00 -2.41 -0.11 0.15 0.70 0.00 0.00 175.22 173.55 1x5x s LYS 56 N -4.44 0.71 0.34 0.44 -0.14 -1.25 -4.98 119.74 110.42 1x5x s LYS 56 Ca 0.68 -0.72 -0.27 0.00 -1.36 0.00 0.00 55.97 54.30 1x5x s LYS 56 Cb -0.23 -0.63 -0.09 0.00 -1.68 0.00 0.00 37.83 35.19 1x5x s LYS 56 CO 0.52 0.15 1.07 -1.25 -0.76 0.00 0.00 175.35 175.08 1x5x s PRO 57 N -1.26 4.39 0.00 -1.68 0.04 -1.26 -2.66 135.00 132.57 1x5x s PRO 57 Ca -0.03 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1x5x s PRO 57 Cb -0.08 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1x5x s PRO 57 CO 0.01 0.03 0.00 1.63 0.04 0.00 0.00 177.00 178.71 1x5x n LYS 58 N 0.53 0.00 -4.22 4.56 5.02 -0.92 -4.98 118.16 118.16 1x5x n LYS 58 Ca 0.02 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.08 1x5x n LYS 58 Cb 0.47 -0.42 -0.06 0.00 -0.02 0.00 0.00 35.03 35.00 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 -1.95 2.86 -0.44 2.13 5.04 -1.18 -5.00 117.35 118.81 1x5x s TYR 59 Ca 0.00 -0.17 0.02 0.00 -2.44 0.00 0.00 57.07 54.48 1x5x s TYR 59 Cb 0.00 -1.29 0.21 0.00 0.35 0.00 0.00 41.96 41.23 1x5x s TYR 59 CO 0.00 0.57 0.92 -0.40 -1.34 0.00 0.00 175.55 175.30 1x5x n ASP 60 N -0.83 -2.55 -4.06 4.32 5.68 -1.26 -3.49 116.55 114.35 1x5x n ASP 60 Ca -0.07 -2.28 -0.12 0.00 -0.50 0.00 0.00 54.79 51.81 1x5x n ASP 60 Cb 0.58 1.36 -0.09 0.00 -1.14 0.00 0.00 41.12 41.83 1x5x n ASP 60 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1x5x s GLY 61 N 0.35 1.39 -0.59 6.12 0.00 -1.26 -5.03 107.32 108.31 1x5x s GLY 61 Ca 0.28 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.37 1x5x s GLY 61 CO -0.10 -1.28 2.30 -1.84 0.00 0.00 0.00 173.10 172.18 1x5x n GLU 62 N -0.33 2.46 -4.50 2.90 0.28 -1.26 -2.86 120.64 117.34 1x5x n GLU 62 Ca 0.02 -2.74 -0.27 0.00 -0.16 0.00 0.00 57.16 54.01 1x5x n GLU 62 Cb 0.65 -2.12 -0.13 0.00 1.43 0.00 0.00 31.44 31.26 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 -0.49 2.91 -0.34 -1.84 1.01 -1.26 -4.88 116.67 111.78 1x5x s ASP 63 Ca 0.53 -0.66 0.04 0.00 0.71 0.00 0.00 52.55 53.17 1x5x s ASP 63 Cb 0.40 -0.21 0.54 0.00 1.01 0.00 0.00 42.92 44.67 1x5x s ASP 63 CO -0.21 0.15 1.71 0.18 0.21 0.00 0.00 175.17 177.21 1x5x n LEU 64 N 1.28 5.87 -3.63 1.23 4.77 -1.26 -4.66 117.00 120.60 1x5x n LEU 64 Ca -0.18 -3.11 -0.09 0.00 -0.03 0.00 0.00 56.01 52.60 1x5x n LEU 64 Cb 0.53 -0.76 -0.07 0.00 -2.33 0.00 0.00 43.42 40.79 1x5x n LEU 64 CO 0.23 0.90 0.78 0.00 -1.33 0.00 0.00 177.39 177.97 1x5x s ALA 65 N -2.60 -1.99 0.03 -1.18 0.00 -1.26 -2.69 121.76 112.07 1x5x s ALA 65 Ca 0.45 1.83 -0.14 0.00 0.00 0.00 0.00 51.96 54.10 1x5x s ALA 65 Cb 0.38 -1.39 0.02 0.00 0.00 0.00 0.00 23.12 22.12 1x5x s ALA 65 CO 0.09 -0.23 0.29 -0.47 0.00 0.00 0.00 175.76 175.44 1x5x s TYR 66 N 0.06 -0.11 -0.48 0.00 5.04 -1.12 -5.04 117.35 115.70 1x5x s TYR 66 Ca 0.03 0.03 -0.03 0.00 -2.44 0.00 0.00 57.07 54.66 1x5x s TYR 66 Cb -0.04 0.08 0.13 0.00 0.35 0.00 0.00 41.96 42.47 1x5x s TYR 66 CO -0.06 -0.46 0.29 0.99 -1.34 0.00 0.00 175.55 174.97 1x5x s THR 67 N -2.17 3.47 0.56 4.34 2.01 -1.26 -1.74 115.64 120.84 1x5x s THR 67 Ca -0.08 -2.34 -0.21 0.00 0.31 0.00 0.00 61.69 59.38 1x5x s THR 67 Cb -0.02 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 1x5x s THR 67 CO -0.01 -0.76 1.25 0.52 -0.69 0.00 0.00 174.62 174.93 1x5x n VAL 68 N 4.25 3.80 -4.41 3.82 0.31 0.14 -4.80 118.33 121.44 1x5x n VAL 68 Ca 0.01 -0.50 -0.23 0.00 -0.01 0.00 0.00 64.34 63.61 1x5x n VAL 68 Cb 0.40 -1.51 -0.08 0.00 -0.91 0.00 0.00 33.84 31.74 1x5x n VAL 68 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1x5x s LYS 69 N -2.83 1.86 -0.25 5.55 1.02 -1.26 -1.81 119.74 122.01 1x5x s LYS 69 Ca 0.73 -2.11 -0.12 0.00 0.02 0.00 0.00 55.97 54.48 1x5x s LYS 69 Cb -0.43 -0.18 0.02 0.00 -0.52 0.00 0.00 37.83 36.72 1x5x s LYS 69 CO 0.49 -0.57 0.26 0.09 -0.92 0.00 0.00 175.35 174.70 1x5x n ASN 70 N -1.43 -6.86 -0.42 2.83 4.13 -0.92 -4.86 115.26 107.73 1x5x n ASN 70 Ca -0.00 0.53 0.00 0.00 1.68 0.00 0.00 54.58 56.79 1x5x n ASN 70 Cb 0.64 -3.07 0.00 0.00 -1.54 0.00 0.00 39.78 35.81 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 0.54 0.00 -4.29 3.41 4.77 -1.18 -4.98 117.00 115.27 1x5x n LEU 71 Ca -0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1x5x n LEU 71 Cb 0.42 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.39 1x5x n LEU 71 CO 0.32 0.00 -0.50 -0.13 -1.33 0.00 0.00 177.39 175.75 1x5x s ARG 72 N -0.26 1.15 0.23 3.23 0.52 -1.26 -4.79 118.95 117.77 1x5x s ARG 72 Ca 0.00 -1.22 -0.30 0.00 -0.52 0.00 0.00 55.73 53.69 1x5x s ARG 72 Cb 0.00 -1.33 -0.09 0.00 0.52 0.00 0.00 34.95 34.06 1x5x s ARG 72 CO 0.00 0.30 1.15 -0.98 0.02 0.00 0.00 175.30 175.78 1x5x s ARG 73 N -2.18 4.56 -0.45 3.54 1.70 -1.22 -4.11 118.95 120.79 1x5x s ARG 73 Ca 0.09 1.83 -0.39 0.00 -0.47 0.00 0.00 55.73 56.79 1x5x s ARG 73 Cb -0.09 -3.22 0.06 0.00 -0.57 0.00 0.00 34.95 31.13 1x5x s ARG 73 CO 0.05 0.06 0.66 0.43 -1.08 0.00 0.00 175.30 175.42 1x5x n SER 74 N 1.87 -5.41 -3.77 -2.89 7.64 0.43 -4.98 113.62 106.50 1x5x n SER 74 Ca 0.02 -0.17 -0.13 0.00 1.01 0.00 0.00 58.87 59.59 1x5x n SER 74 Cb 0.45 -1.58 -0.11 0.00 -1.01 0.00 0.00 64.21 61.97 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 -1.45 0.02 -0.04 0.44 2.01 -1.26 -4.94 115.64 110.41 1x5x s THR 75 Ca 0.38 -0.13 -0.28 0.00 0.31 0.00 0.00 61.69 61.98 1x5x s THR 75 Cb -0.04 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 1x5x s THR 75 CO 0.87 -0.07 0.90 -0.54 -0.69 0.00 0.00 174.62 175.09 1x5x s LYS 76 N -0.20 4.49 0.04 4.92 3.01 -1.26 -3.73 119.74 127.01 1x5x s LYS 76 Ca -0.03 1.25 0.01 0.00 -1.01 0.00 0.00 55.97 56.18 1x5x s LYS 76 Cb -0.03 -3.48 -0.03 0.00 -1.01 0.00 0.00 37.83 33.29 1x5x s LYS 76 CO 0.01 -0.08 -0.05 0.71 0.51 0.00 0.00 175.35 176.45 1x5x s TYR 77 N 1.18 0.50 0.12 3.18 2.02 -1.17 -4.89 117.35 118.29 1x5x s TYR 77 Ca 0.47 -0.65 0.06 0.00 -0.37 0.00 0.00 57.07 56.59 1x5x s TYR 77 Cb -0.19 -0.33 -0.04 0.00 -0.40 0.00 0.00 41.96 41.00 1x5x s TYR 77 CO 0.23 -0.18 -0.04 0.15 -1.57 0.00 0.00 175.55 174.14 1x5x s LYS 78 N -2.14 2.34 -0.14 -0.62 1.02 -1.22 -2.42 119.74 116.56 1x5x s LYS 78 Ca -0.07 -1.00 -0.11 0.00 0.02 0.00 0.00 55.97 54.81 1x5x s LYS 78 Cb -0.06 -2.39 0.04 0.00 -0.52 0.00 0.00 37.83 34.90 1x5x s LYS 78 CO -0.02 0.50 0.36 -0.06 -0.92 0.00 0.00 175.35 175.21 1x5x s PHE 79 N -1.41 -0.43 -0.03 3.18 0.40 -0.95 -3.10 117.98 115.63 1x5x s PHE 79 Ca 0.25 1.02 -0.01 0.00 -0.60 0.00 0.00 56.93 57.59 1x5x s PHE 79 Cb -0.11 0.15 0.03 0.00 0.51 0.00 0.00 43.02 43.61 1x5x s PHE 79 CO 0.17 -0.22 0.03 -1.59 0.70 0.00 0.00 175.22 174.31 1x5x s LYS 80 N 0.50 0.06 -0.04 0.44 -2.85 -1.14 -1.41 119.74 115.30 1x5x s LYS 80 Ca -0.03 0.22 -0.30 0.00 -1.00 0.00 0.00 55.97 54.87 1x5x s LYS 80 Cb -0.04 -0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 35.27 1x5x s LYS 80 CO -0.03 -0.22 1.04 0.54 0.10 0.00 0.00 175.35 176.78 1x5x s VAL 81 N 1.48 4.68 -0.26 1.79 0.11 -1.26 -2.36 120.40 124.57 1x5x s VAL 81 Ca -0.04 1.93 0.03 0.00 -2.93 0.00 0.00 61.98 60.97 1x5x s VAL 81 Cb -0.13 -4.24 0.06 0.00 -1.53 0.00 0.00 36.38 30.54 1x5x s VAL 81 CO -0.03 0.08 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.10 1x5x s ILE 82 N 1.53 2.07 -0.17 7.04 1.01 -0.70 -1.79 121.20 130.19 1x5x s ILE 82 Ca 0.52 -1.61 -0.20 0.00 0.00 0.00 0.00 60.65 59.36 1x5x s ILE 82 Cb -0.21 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 1x5x s ILE 82 CO 0.24 -0.08 0.56 0.00 0.00 0.00 0.00 174.94 175.66 1x5x s ALA 83 N 1.14 3.51 0.16 9.38 0.00 -1.26 0.18 121.76 134.87 1x5x s ALA 83 Ca -0.07 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1x5x s ALA 83 Cb -0.20 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 1x5x s ALA 83 CO -0.05 -0.37 0.01 1.52 0.00 0.00 0.00 175.76 176.87 1x5x s TYR 84 N 1.47 1.13 0.18 0.00 -0.85 -0.38 -2.72 117.35 116.18 1x5x s TYR 84 Ca 0.27 -1.06 0.10 0.00 -0.52 0.00 0.00 57.07 55.85 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 0.11 -0.27 -0.20 1.21 -1.52 0.00 0.00 175.55 174.87 1x5x s ASN 85 N -3.14 2.97 0.66 -0.18 2.47 0.55 -3.50 114.94 114.77 1x5x s ASN 85 Ca 0.24 -0.87 0.30 0.00 0.42 0.00 0.00 52.86 52.95 1x5x s ASN 85 Cb 0.06 -0.20 1.64 0.00 -1.45 0.00 0.00 41.25 41.31 1x5x s ASN 85 CO 0.03 0.02 1.93 0.28 -3.72 0.00 0.00 177.10 175.64 1x5x h SER 86 N 3.19 0.00 0.05 -4.21 0.02 -1.97 0.57 113.55 111.21 1x5x h SER 86 Ca -0.43 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.33 1x5x h SER 86 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1x5x h SER 86 CO 0.50 0.00 -0.99 -0.33 -1.14 0.00 0.00 176.83 174.87 1x5x h GLU 87 N 0.00 0.11 -2.71 3.45 5.08 -1.96 -3.50 114.58 115.05 1x5x h GLU 87 Ca 0.01 -0.19 0.11 0.00 -1.00 0.00 0.00 59.36 58.28 1x5x h GLU 87 Cb 0.67 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 1x5x h GLU 87 CO -0.00 1.09 0.37 0.20 -1.00 0.00 0.00 179.01 179.67 1x5x s GLY 88 N -4.72 -0.05 0.31 -3.84 0.00 0.19 -5.06 107.32 94.15 1x5x s GLY 88 Ca -0.22 -0.23 0.08 0.00 0.00 0.00 0.00 44.72 44.36 1x5x s GLY 88 CO 0.70 0.18 0.12 -1.59 0.00 0.00 0.00 173.10 172.50 1x5x s LYS 89 N -3.25 2.46 0.00 2.90 -2.85 -1.26 0.21 119.74 117.95 1x5x s LYS 89 Ca 0.13 -1.42 0.00 0.00 -1.00 0.00 0.00 55.97 53.68 1x5x s LYS 89 Cb -0.04 -2.25 0.00 0.00 -2.06 0.00 0.00 37.83 33.48 1x5x s LYS 89 CO 0.06 0.22 0.00 0.43 0.10 0.00 0.00 175.35 176.16 1x5x n SER 90 N -1.10 1.45 -4.86 0.03 7.64 -1.10 -4.80 113.62 110.88 1x5x n SER 90 Ca -0.05 -0.61 -0.31 0.00 1.01 0.00 0.00 58.87 58.92 1x5x n SER 90 Cb 0.60 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 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 -0.43 6.54 0.78 6.43 2.20 -1.26 -4.86 114.94 124.33 1x5x s ASN 91 Ca 0.00 1.38 -0.11 0.00 -0.94 0.00 0.00 52.86 53.19 1x5x s ASN 91 Cb 0.00 -2.43 0.06 0.00 -2.00 0.00 0.00 41.25 36.87 1x5x s ASN 91 CO 0.00 -0.55 1.09 -2.16 -2.94 0.00 0.00 177.10 172.54 1x5x s PRO 92 N -4.11 2.27 0.66 3.55 0.04 -1.26 -4.54 135.00 131.61 1x5x s PRO 92 Ca 0.55 0.71 0.02 0.00 0.04 0.00 0.00 61.00 62.33 1x5x s PRO 92 Cb -0.10 -1.93 0.11 0.00 0.04 0.00 0.00 34.50 32.61 1x5x s PRO 92 CO 0.34 -1.51 0.91 0.45 0.04 0.00 0.00 177.00 177.24 1x5x s SER 93 N -3.88 4.64 0.06 6.66 0.15 -0.74 -4.92 113.70 115.67 1x5x s SER 93 Ca 0.60 -0.48 -0.34 0.00 0.70 0.00 0.00 55.95 56.44 1x5x s SER 93 Cb -0.14 -0.00 -0.13 0.00 -1.71 0.00 0.00 66.02 64.04 1x5x s SER 93 CO 0.54 -1.65 1.72 -0.62 1.20 0.00 0.00 173.24 174.44 1x5x n GLU 94 N -2.62 2.24 -2.19 5.44 1.02 -1.26 -4.68 120.64 118.59 1x5x n GLU 94 Ca 0.15 0.81 -0.43 0.00 -0.02 0.00 0.00 57.16 57.67 1x5x n GLU 94 Cb 0.61 -2.63 -0.02 0.00 -0.02 0.00 0.00 31.44 29.38 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 2.32 3.85 0.45 2.62 1.01 -1.26 -4.71 120.40 124.69 1x5x s VAL 95 Ca 0.84 1.00 0.08 0.00 0.00 0.00 0.00 61.98 63.91 1x5x s VAL 95 Cb -0.66 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.00 1x5x s VAL 95 CO 0.43 -0.20 0.59 0.68 0.00 0.00 0.00 175.10 176.60 1x5x s VAL 96 N 4.34 2.75 0.04 2.92 -7.23 -0.50 -4.94 120.40 117.78 1x5x s VAL 96 Ca 0.66 -1.05 0.04 0.00 -1.81 0.00 0.00 61.98 59.82 1x5x s VAL 96 Cb -0.26 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 1x5x s VAL 96 CO 0.25 0.00 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.23 1x5x s GLU 97 N -4.39 0.71 0.31 4.82 2.12 -1.26 -2.23 118.70 118.78 1x5x s GLU 97 Ca 0.55 -0.69 -0.00 0.00 0.36 0.00 0.00 54.97 55.19 1x5x s GLU 97 Cb -0.08 -0.64 -0.01 0.00 0.26 0.00 0.00 34.13 33.65 1x5x s GLU 97 CO 0.33 0.15 0.36 -0.06 -0.54 0.00 0.00 175.26 175.51 1x5x s PHE 98 N -0.95 1.22 -0.02 5.30 0.08 -1.02 -5.03 117.98 117.57 1x5x s PHE 98 Ca -0.02 -1.36 -0.07 0.00 0.12 0.00 0.00 56.93 55.59 1x5x s PHE 98 Cb -0.08 -0.32 0.01 0.00 -0.57 0.00 0.00 43.02 42.06 1x5x s PHE 98 CO 0.01 -0.96 0.15 0.99 -0.10 0.00 0.00 175.22 175.31 1x5x s THR 99 N -3.44 0.06 0.73 0.64 2.01 -1.26 -3.03 115.64 111.35 1x5x s THR 99 Ca 0.34 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1x5x s THR 99 Cb 0.02 -0.38 0.11 0.00 0.01 0.00 0.00 72.50 72.26 1x5x s THR 99 CO 0.20 -0.27 1.02 0.42 -0.69 0.00 0.00 174.62 175.31 1x5x s THR 100 N -0.95 2.21 0.99 -0.82 -4.23 -1.24 -4.85 115.64 106.76 1x5x s THR 100 Ca -0.10 -0.44 -0.12 0.00 -1.18 0.00 0.00 61.69 59.85 1x5x s THR 100 Cb -0.06 -2.78 0.19 0.00 1.34 0.00 0.00 72.50 71.19 1x5x s THR 100 CO 0.01 0.00 1.08 0.00 -0.54 0.00 0.00 174.62 175.17 1x5x h PRO 102 N -1.93 0.40 0.00 0.00 0.13 -1.95 0.12 132.00 128.77 1x5x h PRO 102 Ca -0.54 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.21 1x5x h PRO 102 Cb 1.31 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1x5x h PRO 102 CO 0.54 1.05 0.00 -3.47 -0.23 0.00 0.00 178.00 175.89 1x5x n ASP 103 N -4.28 0.00 -0.65 1.44 2.03 -1.26 -4.43 116.55 109.40 1x5x n ASP 103 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 1x5x n ASP 103 Cb 0.62 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1x5x n ASP 103 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1x5x n SER 104 N 2.07 -3.80 -3.25 1.67 2.88 -1.26 -5.01 113.62 106.92 1x5x n SER 104 Ca 0.00 0.34 -0.26 0.00 -1.33 0.00 0.00 58.87 57.62 1x5x n SER 104 Cb 0.00 -1.17 0.25 0.00 -0.75 0.00 0.00 64.21 62.53 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 0.07 -3.57 3.58 0.46 0.00 -1.26 -4.78 105.19 99.69 1x5x n GLY 105 Ca 0.00 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.62 3.22 0.18 1.61 0.04 -1.26 -4.10 135.00 130.08 1x5x s PRO 106 Ca 0.56 -1.42 0.00 0.00 0.04 0.00 0.00 61.00 60.18 1x5x s PRO 106 Cb -0.10 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.08 1x5x s PRO 106 CO 0.47 -3.05 0.00 0.45 0.04 0.00 0.00 177.00 174.91 1x5x n SER 107 N 11.35 -0.28 -2.72 6.66 2.88 -1.26 -5.11 113.62 125.14 1x5x n SER 107 Ca 0.45 0.31 -0.07 0.00 -1.33 0.00 0.00 58.87 58.24 1x5x n SER 107 Cb 0.47 0.41 0.01 0.00 -0.75 0.00 0.00 64.21 64.35 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 -3.08 -7.44 -0.67 -3.46 7.64 -1.26 -5.27 113.62 100.08 1x5x n SER 108 Ca 0.00 0.55 0.08 0.00 1.01 0.00 0.00 58.87 60.51 1x5x n SER 108 Cb 0.00 -5.01 0.07 0.00 -1.01 0.00 0.00 64.21 58.26 1x5x n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64