#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 -2.24 -3.95 1.61 2.88 -1.26 -5.10 113.62 105.56 1x5x n SER 2 Ca 0.00 0.61 -0.30 0.00 -1.33 0.00 0.00 58.87 57.84 1x5x n SER 2 Cb 0.00 2.28 -0.16 0.00 -0.75 0.00 0.00 64.21 65.58 1x5x n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5x s SER 3 N -1.75 3.61 0.05 -3.46 1.04 -1.26 -5.11 113.70 106.82 1x5x s SER 3 Ca 0.00 -1.04 -0.21 0.00 0.48 0.00 0.00 55.95 55.18 1x5x s SER 3 Cb 0.00 -1.17 -0.06 0.00 0.10 0.00 0.00 66.02 64.88 1x5x s SER 3 CO 0.00 -0.20 0.62 -0.83 0.98 0.00 0.00 173.24 173.81 1x5x s GLY 4 N 1.41 2.69 0.00 7.32 0.00 -1.26 -4.93 107.32 112.56 1x5x s GLY 4 Ca -0.04 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1x5x s GLY 4 CO -0.07 0.67 0.00 1.44 0.00 0.00 0.00 173.10 175.14 1x5x n SER 5 N 2.17 0.14 -4.21 1.64 7.64 -1.26 -4.90 113.62 114.85 1x5x n SER 5 Ca -0.08 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.50 1x5x n SER 5 Cb 0.51 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.54 1x5x n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5x s SER 6 N -4.84 2.80 0.00 6.43 0.01 -1.26 -4.75 113.70 112.09 1x5x s SER 6 Ca 0.00 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1x5x s SER 6 Cb 0.00 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.25 1x5x s SER 6 CO 0.00 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1x5x n GLY 7 N 3.24 0.86 3.73 3.44 0.00 -1.26 -5.05 105.19 110.15 1x5x n GLY 7 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 3.12 4.51 0.87 1.61 0.04 -1.26 -4.71 135.00 139.19 1x5x s PRO 8 Ca 0.00 1.74 -0.14 0.00 0.04 0.00 0.00 61.00 62.64 1x5x s PRO 8 Cb 0.00 -3.31 0.21 0.00 0.04 0.00 0.00 34.50 31.44 1x5x s PRO 8 CO 0.00 -0.09 0.48 -1.13 0.04 0.00 0.00 177.00 176.30 1x5x n SER 9 N 3.12 -3.10 -4.63 6.66 3.41 -1.26 -4.74 113.62 113.09 1x5x n SER 9 Ca 0.06 -0.48 -0.45 0.00 -0.26 0.00 0.00 58.87 57.74 1x5x n SER 9 Cb 0.46 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 63.77 1x5x n SER 9 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1x5x n MET 10 N -3.39 2.31 -1.53 4.33 1.56 -1.26 -4.81 117.12 114.33 1x5x n MET 10 Ca 0.08 0.79 -0.29 0.00 -0.27 0.00 0.00 57.70 58.00 1x5x n MET 10 Cb 0.33 -2.93 0.18 0.00 2.15 0.00 0.00 33.22 32.95 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 5.02 0.35 0.05 2.12 0.04 -1.26 -4.76 135.00 136.56 1x5x s PRO 11 Ca 0.95 -0.01 -0.22 0.00 0.04 0.00 0.00 61.00 61.76 1x5x s PRO 11 Cb -0.51 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 1x5x s PRO 11 CO 0.43 -2.68 0.64 0.00 0.04 0.00 0.00 177.00 175.44 1x5x s ALA 12 N -3.38 3.49 0.49 8.56 0.00 -1.26 -4.80 121.76 124.87 1x5x s ALA 12 Ca 0.69 0.12 -0.20 0.00 0.00 0.00 0.00 51.96 52.57 1x5x s ALA 12 Cb -0.10 -2.78 -0.10 0.00 0.00 0.00 0.00 23.12 20.13 1x5x s ALA 12 CO 0.54 0.24 0.58 -1.13 0.00 0.00 0.00 175.76 175.99 1x5x n SER 13 N 2.25 -0.73 -4.71 0.00 3.41 -1.26 -4.39 113.62 108.19 1x5x n SER 13 Ca -0.07 0.84 -0.42 0.00 -0.26 0.00 0.00 58.87 58.96 1x5x n SER 13 Cb 0.50 -1.17 -0.03 0.00 -0.26 0.00 0.00 64.21 63.26 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 -1.87 4.43 0.39 4.33 0.04 -1.26 -4.75 135.00 136.31 1x5x s PRO 14 Ca 0.66 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 63.38 1x5x s PRO 14 Cb -0.52 -3.40 0.08 0.00 0.04 0.00 0.00 34.50 30.70 1x5x s PRO 14 CO 0.56 -0.28 0.54 1.33 0.04 0.00 0.00 177.00 179.19 1x5x n VAL 15 N 4.07 0.00 -3.63 -0.36 0.24 0.21 -4.77 118.33 114.10 1x5x n VAL 15 Ca 0.09 -0.61 -0.28 0.00 -2.04 0.00 0.00 64.34 61.50 1x5x n VAL 15 Cb 0.47 -1.44 -0.16 0.00 -1.47 0.00 0.00 33.84 31.25 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 0.97 -0.06 1.34 2.96 -1.26 -1.40 118.68 121.23 1x5x s LEU 16 Ca 0.33 -1.17 -0.16 0.00 -0.22 0.00 0.00 54.13 52.91 1x5x s LEU 16 Cb -0.01 -0.48 -0.11 0.00 0.50 0.00 0.00 46.19 46.08 1x5x s LEU 16 CO 0.22 -0.40 0.64 0.71 -1.32 0.00 0.00 176.35 176.21 1x5x h THR 17 N 6.45 0.49 -3.46 3.68 1.35 -1.38 -3.46 112.91 116.58 1x5x h THR 17 Ca -0.17 -1.01 -0.43 0.00 -0.55 0.00 0.00 66.41 64.25 1x5x h THR 17 Cb 1.05 0.85 -0.34 0.00 -1.73 0.00 0.00 68.15 67.99 1x5x h THR 17 CO 0.40 0.14 -0.78 -0.75 -0.25 0.00 0.00 175.52 174.28 1x5x s LYS 18 N -3.00 0.98 -0.32 4.72 2.20 -1.20 -5.05 119.74 118.07 1x5x s LYS 18 Ca -0.09 -0.16 -0.12 0.00 -0.36 0.00 0.00 55.97 55.23 1x5x s LYS 18 Cb 0.00 -0.92 -0.03 0.00 -1.51 0.00 0.00 37.83 35.37 1x5x s LYS 18 CO 0.33 -0.06 0.21 0.00 -0.36 0.00 0.00 175.35 175.48 1x5x s ALA 19 N 0.84 3.49 0.54 3.13 0.00 -1.26 -1.00 121.76 127.49 1x5x s ALA 19 Ca -0.12 -1.29 0.05 0.00 0.00 0.00 0.00 51.96 50.60 1x5x s ALA 19 Cb -0.15 -2.58 0.05 0.00 0.00 0.00 0.00 23.12 20.45 1x5x s ALA 19 CO 0.01 -0.83 0.75 0.20 0.00 0.00 0.00 175.76 175.89 1x5x s GLY 20 N 1.72 1.83 -0.08 0.00 0.00 0.10 -4.54 107.32 106.36 1x5x s GLY 20 Ca 0.06 -1.70 -0.27 0.00 0.00 0.00 0.00 44.72 42.81 1x5x s GLY 20 CO 0.10 -1.36 1.00 -2.22 0.00 0.00 0.00 173.10 170.62 1x5x h ILE 21 N 0.18 1.60 -0.06 0.90 2.04 -1.93 -3.15 117.51 117.09 1x5x h ILE 21 Ca -0.38 -1.83 -0.02 0.00 1.00 0.00 0.00 64.86 63.63 1x5x h ILE 21 Cb 1.28 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 40.18 1x5x h ILE 21 CO 0.45 0.48 -0.18 0.35 0.00 0.00 0.00 178.15 179.25 1x5x n THR 22 N -4.67 2.11 -3.56 -0.27 -2.24 -1.26 -3.78 114.28 100.60 1x5x n THR 22 Ca -0.09 -2.62 -0.14 0.00 -2.27 0.00 0.00 64.05 58.92 1x5x n THR 22 Cb 0.40 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 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 -3.04 -0.46 -0.09 4.78 1.48 -1.26 -3.02 118.94 117.34 1x5x s TRP 23 Ca 0.36 0.54 -0.03 0.00 -1.06 0.00 0.00 56.10 55.91 1x5x s TRP 23 Cb 0.33 0.36 0.04 0.00 -1.16 0.00 0.00 33.47 33.04 1x5x s TRP 23 CO -0.00 -0.65 0.06 -0.51 -4.06 0.00 0.00 176.95 171.79 1x5x s LEU 24 N -1.92 0.31 -0.65 -4.66 1.43 -0.87 0.03 118.68 112.35 1x5x s LEU 24 Ca -0.06 -0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 52.62 1x5x s LEU 24 Cb -0.01 -0.23 0.08 0.00 0.03 0.00 0.00 46.19 46.06 1x5x s LEU 24 CO -0.01 -0.28 0.93 -0.44 0.23 0.00 0.00 176.35 176.78 1x5x s SER 25 N 2.12 6.17 0.47 2.29 0.01 -0.17 -1.67 113.70 122.93 1x5x s SER 25 Ca 0.04 -1.05 0.01 0.00 1.31 0.00 0.00 55.95 56.25 1x5x s SER 25 Cb -0.14 -2.40 0.01 0.00 0.21 0.00 0.00 66.02 63.70 1x5x s SER 25 CO -0.05 -1.40 0.69 -0.76 0.41 0.00 0.00 173.24 172.13 1x5x s LEU 26 N 3.87 3.55 -0.20 2.44 1.43 -1.11 -1.03 118.68 127.62 1x5x s LEU 26 Ca 0.21 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.43 1x5x s LEU 26 Cb -0.18 -3.05 0.10 0.00 0.03 0.00 0.00 46.19 43.10 1x5x s LEU 26 CO 0.10 -0.82 0.34 -1.58 0.23 0.00 0.00 176.35 174.61 1x5x s GLN 27 N -4.60 0.28 0.29 1.70 -0.44 -0.49 -3.51 119.66 112.88 1x5x s GLN 27 Ca 0.51 0.62 0.11 0.00 -2.50 0.00 0.00 55.36 54.11 1x5x s GLN 27 Cb -0.10 -0.35 -0.05 0.00 -1.64 0.00 0.00 33.01 30.87 1x5x s GLN 27 CO 0.38 -0.49 -0.18 1.67 0.50 0.00 0.00 175.29 177.16 1x5x s TRP 28 N 2.50 2.28 0.42 1.67 -2.14 -1.18 0.66 118.94 123.15 1x5x s TRP 28 Ca 0.06 -0.36 0.03 0.00 2.66 0.00 0.00 56.10 58.50 1x5x s TRP 28 Cb -0.14 -1.03 -0.03 0.00 -3.10 0.00 0.00 33.47 29.16 1x5x s TRP 28 CO -0.13 0.69 0.07 -1.54 -2.66 0.00 0.00 176.95 173.38 1x5x s SER 29 N -3.52 3.14 0.55 -2.66 1.04 -1.26 -4.54 113.70 106.46 1x5x s SER 29 Ca 0.30 -1.58 -0.10 0.00 0.48 0.00 0.00 55.95 55.05 1x5x s SER 29 Cb -0.04 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1x5x s SER 29 CO 0.15 -0.80 0.93 -1.59 0.98 0.00 0.00 173.24 172.91 1x5x s LYS 30 N -3.79 3.63 0.00 4.02 -2.85 -1.26 -4.11 119.74 115.38 1x5x s LYS 30 Ca 0.23 0.58 0.00 0.00 -1.00 0.00 0.00 55.97 55.77 1x5x s LYS 30 Cb 0.04 -2.20 0.00 0.00 -2.06 0.00 0.00 37.83 33.61 1x5x s LYS 30 CO 0.12 -0.39 0.00 -0.35 0.10 0.00 0.00 175.35 174.83 1x5x n PRO 31 N -2.39 -0.37 -3.45 1.78 -0.04 -1.26 -4.68 135.00 124.58 1x5x n PRO 31 Ca 0.04 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.14 1x5x n PRO 31 Cb 0.54 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.95 1x5x n PRO 31 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5x s SER 32 N -1.25 6.79 -0.22 3.54 0.15 -1.26 -4.61 113.70 116.84 1x5x s SER 32 Ca 0.00 0.98 -0.20 0.00 0.70 0.00 0.00 55.95 57.43 1x5x s SER 32 Cb 0.00 -2.25 0.03 0.00 -1.71 0.00 0.00 66.02 62.09 1x5x s SER 32 CO 0.00 0.19 0.33 0.61 1.20 0.00 0.00 173.24 175.57 1x5x n GLY 33 N 1.17 0.10 3.79 9.45 0.00 -1.26 -4.80 105.19 113.63 1x5x n GLY 33 Ca -0.09 0.57 -0.33 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.10 3.59 -0.81 2.61 -4.23 -1.26 -4.88 115.64 109.55 1x5x s THR 34 Ca 0.19 0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 61.41 1x5x s THR 34 Cb -0.02 -3.29 -0.11 0.00 1.34 0.00 0.00 72.50 70.42 1x5x s THR 34 CO 0.43 -0.43 2.61 -0.81 -0.54 0.00 0.00 174.62 175.89 1x5x n PRO 35 N -2.06 2.36 -3.24 3.99 -0.04 -1.26 -4.69 135.00 130.05 1x5x n PRO 35 Ca 0.09 -1.43 -0.18 0.00 -0.04 0.00 0.00 63.50 61.95 1x5x n PRO 35 Cb 0.52 -2.36 0.02 0.00 -0.04 0.00 0.00 33.50 31.65 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 3.49 -5.81 -3.35 3.54 7.64 -1.26 -4.97 113.62 112.89 1x5x n SER 36 Ca 0.50 0.13 -0.14 0.00 1.01 0.00 0.00 58.87 60.38 1x5x n SER 36 Cb 0.35 -1.52 -0.07 0.00 -1.01 0.00 0.00 64.21 61.96 1x5x n SER 36 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1x5x s ASP 37 N -1.16 0.97 -0.70 6.43 1.47 -1.26 -5.09 116.67 117.33 1x5x s ASP 37 Ca 0.17 -1.00 -0.28 0.00 1.18 0.00 0.00 52.55 52.63 1x5x s ASP 37 Cb -0.02 0.76 -0.13 0.00 -0.34 0.00 0.00 42.92 43.19 1x5x s ASP 37 CO 0.39 -0.32 2.52 1.21 0.68 0.00 0.00 175.17 179.65 1x5x n GLU 38 N 4.84 0.61 -0.56 2.11 2.13 -1.26 -4.04 120.64 124.47 1x5x n GLU 38 Ca 0.05 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1x5x n GLU 38 Cb 0.47 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.50 1x5x n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x5x n GLY 39 N 6.21 -3.32 3.69 8.31 0.00 -1.26 -5.05 105.19 113.76 1x5x n GLY 39 Ca 0.49 -0.76 -0.32 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 0.00 4.18 -0.11 -0.61 1.01 -1.26 -5.05 121.20 119.37 1x5x s ILE 40 Ca 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 1x5x s ILE 40 Cb 0.00 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 1x5x s ILE 40 CO 0.00 0.36 0.08 -0.44 0.00 0.00 0.00 174.94 174.94 1x5x s SER 41 N -1.61 5.89 -0.06 3.58 0.01 -1.16 -4.60 113.70 115.75 1x5x s SER 41 Ca 0.20 0.31 0.03 0.00 1.31 0.00 0.00 55.95 57.81 1x5x s SER 41 Cb -0.12 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.28 1x5x s SER 41 CO 0.11 0.37 -0.16 -0.31 0.41 0.00 0.00 173.24 173.66 1x5x s TYR 42 N -0.83 1.76 -0.26 2.43 1.51 -1.13 -0.45 117.35 120.38 1x5x s TYR 42 Ca 0.13 -0.62 -0.10 0.00 -1.01 0.00 0.00 57.07 55.47 1x5x s TYR 42 Cb -0.12 -1.22 -0.05 0.00 -0.11 0.00 0.00 41.96 40.46 1x5x s TYR 42 CO 0.03 -0.26 0.17 0.42 -1.11 0.00 0.00 175.55 174.79 1x5x s ILE 43 N 0.37 5.25 -0.44 2.71 1.01 0.50 -4.08 121.20 126.51 1x5x s ILE 43 Ca -0.11 0.15 -0.24 0.00 0.00 0.00 0.00 60.65 60.44 1x5x s ILE 43 Cb -0.15 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.87 1x5x s ILE 43 CO 0.04 0.30 0.82 -0.22 0.00 0.00 0.00 174.94 175.88 1x5x s LEU 44 N 1.46 4.17 0.32 2.97 2.96 -1.24 -1.03 118.68 128.30 1x5x s LEU 44 Ca 0.07 0.00 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 1x5x s LEU 44 Cb -0.15 -3.04 -0.02 0.00 0.50 0.00 0.00 46.19 43.49 1x5x s LEU 44 CO 0.08 -0.94 0.47 -1.61 -1.32 0.00 0.00 176.35 173.03 1x5x s GLU 45 N 3.40 3.26 -0.28 1.98 2.02 -0.92 -1.66 118.70 126.51 1x5x s GLU 45 Ca 0.32 -0.77 -0.22 0.00 0.02 0.00 0.00 54.97 54.31 1x5x s GLU 45 Cb -0.12 -2.79 0.09 0.00 0.10 0.00 0.00 34.13 31.42 1x5x s GLU 45 CO 0.23 0.15 0.82 1.41 0.02 0.00 0.00 175.26 177.88 1x5x s MET 46 N -4.18 0.69 -0.02 1.61 -2.45 -1.09 -2.58 119.30 111.28 1x5x s MET 46 Ca 0.41 0.91 0.01 0.00 -1.25 0.00 0.00 55.69 55.78 1x5x s MET 46 Cb -0.09 0.29 0.01 0.00 1.25 0.00 0.00 34.83 36.28 1x5x s MET 46 CO 0.32 -0.10 -0.05 -2.00 1.05 0.00 0.00 175.02 174.24 1x5x s GLU 47 N 0.68 0.54 0.00 4.11 -6.30 -1.01 -3.14 118.70 113.57 1x5x s GLU 47 Ca -0.02 -0.14 0.00 0.00 -2.50 0.00 0.00 54.97 52.31 1x5x s GLU 47 Cb -0.05 -0.56 0.00 0.00 0.00 0.00 0.00 34.13 33.52 1x5x s GLU 47 CO -0.06 0.04 0.00 -1.91 0.02 0.00 0.00 175.26 173.34 1x5x n GLU 48 N 3.39 0.00 -3.53 4.30 0.00 -1.26 -3.65 120.64 119.89 1x5x n GLU 48 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.70 1x5x n GLU 48 Cb 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.88 1x5x n GLU 48 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1x5x s GLU 49 N -0.64 1.26 -0.50 5.31 2.56 -1.26 -4.97 118.70 120.47 1x5x s GLU 49 Ca 0.00 -2.33 0.06 0.00 0.00 0.00 0.00 54.97 52.70 1x5x s GLU 49 Cb 0.00 -1.92 0.23 0.00 2.00 0.00 0.00 34.13 34.44 1x5x s GLU 49 CO 0.00 -1.34 0.85 0.25 -0.56 0.00 0.00 175.26 174.46 1x5x n THR 50 N 2.77 -0.01 -1.20 -1.70 -2.24 -1.26 -5.14 114.28 105.51 1x5x n THR 50 Ca 0.25 -1.39 0.14 0.00 -2.27 0.00 0.00 64.05 60.78 1x5x n THR 50 Cb 0.43 1.35 -0.05 0.00 -2.10 0.00 0.00 70.33 69.96 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 1.98 -6.43 -2.74 3.42 7.64 -1.26 -4.21 113.62 112.01 1x5x n SER 51 Ca 0.11 0.75 -0.35 0.00 1.01 0.00 0.00 58.87 60.39 1x5x n SER 51 Cb 0.61 -3.85 0.01 0.00 -1.01 0.00 0.00 64.21 59.97 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 -3.68 5.16 1.59 0.23 0.00 -1.26 -4.49 105.19 102.73 1x5x n GLY 52 Ca -0.03 -2.27 -0.02 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.12 1.86 -4.50 1.61 4.01 -1.26 -5.07 117.16 113.69 1x5x n TYR 53 Ca 0.52 -1.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.07 1x5x n TYR 53 Cb 0.35 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 38.82 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 -0.42 -0.55 3.76 2.72 0.00 -1.26 -4.77 105.19 104.67 1x5x n GLY 54 Ca 0.35 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 3.41 0.10 1.61 0.40 -1.26 -4.89 117.98 117.35 1x5x s PHE 55 Ca 0.00 1.56 0.08 0.00 -0.60 0.00 0.00 56.93 57.96 1x5x s PHE 55 Cb 0.00 -3.42 -0.04 0.00 0.51 0.00 0.00 43.02 40.07 1x5x s PHE 55 CO 0.00 -1.04 -0.15 -1.59 0.70 0.00 0.00 175.22 173.14 1x5x s LYS 56 N -1.20 1.97 0.29 0.44 0.00 -1.19 -4.92 119.74 115.14 1x5x s LYS 56 Ca 0.48 -1.08 -0.29 0.00 0.00 0.00 0.00 55.97 55.07 1x5x s LYS 56 Cb -0.34 -2.21 -0.09 0.00 0.00 0.00 0.00 37.83 35.19 1x5x s LYS 56 CO 0.43 0.50 1.08 -1.25 0.00 0.00 0.00 175.35 176.10 1x5x s PRO 57 N -2.07 4.62 -0.03 1.78 0.04 -1.26 -2.67 135.00 135.42 1x5x s PRO 57 Ca 0.19 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 1x5x s PRO 57 Cb -0.11 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 1x5x s PRO 57 CO 0.11 0.22 -0.03 1.63 0.04 0.00 0.00 177.00 178.96 1x5x n LYS 58 N 1.11 0.06 -4.32 4.56 4.76 -0.66 -4.99 118.16 118.68 1x5x n LYS 58 Ca -0.01 0.02 -0.24 0.00 -2.87 0.00 0.00 58.31 55.22 1x5x n LYS 58 Cb 0.45 -0.75 -0.08 0.00 -1.84 0.00 0.00 35.03 32.81 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 -2.05 2.57 -0.38 2.13 5.04 -1.20 -5.00 117.35 118.47 1x5x s TYR 59 Ca -0.04 -0.35 0.02 0.00 -2.44 0.00 0.00 57.07 54.26 1x5x s TYR 59 Cb 0.01 -1.35 0.18 0.00 0.35 0.00 0.00 41.96 41.16 1x5x s TYR 59 CO 0.05 0.54 0.78 0.16 -1.34 0.00 0.00 175.55 175.74 1x5x s ASP 60 N -3.69 -1.10 0.14 4.32 1.47 -1.26 -3.59 116.67 112.95 1x5x s ASP 60 Ca 0.33 -0.55 -0.02 0.00 1.18 0.00 0.00 52.55 53.49 1x5x s ASP 60 Cb -0.03 1.41 0.01 0.00 -0.34 0.00 0.00 42.92 43.97 1x5x s ASP 60 CO 0.19 -0.12 0.21 0.61 0.68 0.00 0.00 175.17 176.74 1x5x n GLY 61 N 4.17 2.51 1.78 2.12 0.00 -1.26 -5.05 105.19 109.45 1x5x n GLY 61 Ca 0.09 -1.39 -0.19 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.21 2.85 -4.21 1.61 0.28 -1.26 -2.83 120.64 116.86 1x5x n GLU 62 Ca -0.01 -3.69 -0.28 0.00 -0.16 0.00 0.00 57.16 53.02 1x5x n GLU 62 Cb 0.22 -2.12 -0.09 0.00 1.43 0.00 0.00 31.44 30.88 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 -2.96 4.60 -0.37 -1.84 1.01 -1.26 -4.83 116.67 111.02 1x5x s ASP 63 Ca 0.51 -0.39 0.02 0.00 0.71 0.00 0.00 52.55 53.41 1x5x s ASP 63 Cb 0.43 -0.93 0.48 0.00 1.01 0.00 0.00 42.92 43.91 1x5x s ASP 63 CO 0.01 0.13 1.75 0.18 0.21 0.00 0.00 175.17 177.45 1x5x n LEU 64 N 0.28 6.03 -3.61 1.23 4.77 -1.26 -4.73 117.00 119.71 1x5x n LEU 64 Ca -0.11 -3.21 -0.08 0.00 -0.03 0.00 0.00 56.01 52.59 1x5x n LEU 64 Cb 0.54 -0.80 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 1x5x n LEU 64 CO 0.36 0.98 0.89 0.00 -1.33 0.00 0.00 177.39 178.30 1x5x s ALA 65 N -2.56 -2.01 0.10 -1.18 0.00 -1.26 -3.12 121.76 111.72 1x5x s ALA 65 Ca 0.44 1.72 -0.15 0.00 0.00 0.00 0.00 51.96 53.96 1x5x s ALA 65 Cb 0.37 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 22.38 1x5x s ALA 65 CO 0.07 -0.26 0.37 -0.47 0.00 0.00 0.00 175.76 175.48 1x5x s TYR 66 N -0.73 -0.17 -0.41 0.00 5.04 -1.23 -5.06 117.35 114.80 1x5x s TYR 66 Ca 0.02 -0.10 -0.01 0.00 -2.44 0.00 0.00 57.07 54.55 1x5x s TYR 66 Cb -0.02 0.20 0.11 0.00 0.35 0.00 0.00 41.96 42.61 1x5x s TYR 66 CO -0.04 -0.65 0.18 0.99 -1.34 0.00 0.00 175.55 174.70 1x5x s THR 67 N -3.48 3.02 0.47 4.34 2.01 -1.26 -2.75 115.64 117.99 1x5x s THR 67 Ca 0.01 -2.26 -0.23 0.00 0.31 0.00 0.00 61.69 59.51 1x5x s THR 67 Cb 0.02 -3.10 -0.07 0.00 0.01 0.00 0.00 72.50 69.36 1x5x s THR 67 CO -0.10 -0.69 1.26 -0.69 -0.69 0.00 0.00 174.62 173.72 1x5x s VAL 68 N 0.92 2.66 0.37 3.82 1.01 -0.67 -4.86 120.40 123.66 1x5x s VAL 68 Ca 0.10 0.53 0.06 0.00 0.00 0.00 0.00 61.98 62.66 1x5x s VAL 68 Cb -0.22 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1x5x s VAL 68 CO -0.05 0.02 0.22 -0.54 0.00 0.00 0.00 175.10 174.75 1x5x s LYS 69 N -2.62 1.86 -0.70 2.72 1.02 -1.26 -2.06 119.74 118.70 1x5x s LYS 69 Ca 0.64 -2.11 -0.00 0.00 0.02 0.00 0.00 55.97 54.52 1x5x s LYS 69 Cb -0.35 -0.09 0.00 0.00 -0.52 0.00 0.00 37.83 36.87 1x5x s LYS 69 CO 0.43 -0.59 0.66 0.09 -0.92 0.00 0.00 175.35 175.02 1x5x n ASN 70 N -1.49 -7.52 -2.91 2.83 3.02 -1.17 -4.92 115.26 103.11 1x5x n ASN 70 Ca 0.01 -0.06 -0.16 0.00 -0.03 0.00 0.00 54.58 54.34 1x5x n ASN 70 Cb 0.63 -5.11 -0.05 0.00 -0.61 0.00 0.00 39.78 34.64 1x5x n ASN 70 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x5x n LEU 71 N -1.72 0.00 -4.32 3.41 4.77 -1.22 -5.02 117.00 112.90 1x5x n LEU 71 Ca 0.00 -2.20 -0.21 0.00 -0.03 0.00 0.00 56.01 53.58 1x5x n LEU 71 Cb 0.50 0.90 -0.11 0.00 -2.33 0.00 0.00 43.42 42.38 1x5x n LEU 71 CO 0.50 -0.35 -0.47 -0.13 -1.33 0.00 0.00 177.39 175.61 1x5x s ARG 72 N -3.03 1.24 0.54 3.23 0.52 -1.26 -4.72 118.95 115.47 1x5x s ARG 72 Ca 0.20 -1.39 -0.19 0.00 -0.52 0.00 0.00 55.73 53.82 1x5x s ARG 72 Cb 0.01 -1.25 -0.06 0.00 0.52 0.00 0.00 34.95 34.17 1x5x s ARG 72 CO 0.14 0.25 1.11 -0.98 0.02 0.00 0.00 175.30 175.84 1x5x s ARG 73 N -2.83 3.41 -0.61 3.54 3.03 -1.25 -4.03 118.95 120.20 1x5x s ARG 73 Ca 0.15 1.54 -0.20 0.00 2.03 0.00 0.00 55.73 59.25 1x5x s ARG 73 Cb -0.05 -2.02 0.03 0.00 -1.03 0.00 0.00 34.95 31.88 1x5x s ARG 73 CO 0.06 -0.79 0.61 0.45 -1.13 0.00 0.00 175.30 174.50 1x5x n SER 74 N -1.33 -4.92 -3.90 -2.89 2.88 -1.05 -4.96 113.62 97.45 1x5x n SER 74 Ca 0.11 -0.55 -0.09 0.00 -1.33 0.00 0.00 58.87 57.01 1x5x n SER 74 Cb 0.51 -1.52 -0.06 0.00 -0.75 0.00 0.00 64.21 62.39 1x5x n SER 74 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1x5x s THR 75 N -2.15 0.07 0.09 2.46 2.01 -1.26 -5.00 115.64 111.87 1x5x s THR 75 Ca 0.19 -1.24 0.10 0.00 0.31 0.00 0.00 61.69 61.05 1x5x s THR 75 Cb -0.02 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1x5x s THR 75 CO 0.85 -0.30 -0.27 -1.59 -0.69 0.00 0.00 174.62 172.62 1x5x s LYS 76 N -3.94 1.58 -0.00 4.92 0.00 -1.26 -3.17 119.74 117.87 1x5x s LYS 76 Ca 0.14 -1.24 -0.15 0.00 0.00 0.00 0.00 55.97 54.72 1x5x s LYS 76 Cb 0.03 -1.94 0.02 0.00 0.00 0.00 0.00 37.83 35.94 1x5x s LYS 76 CO -0.02 0.48 0.31 0.71 0.00 0.00 0.00 175.35 176.83 1x5x s TYR 77 N -0.95 -0.17 -0.15 1.78 2.02 -1.22 -5.03 117.35 113.63 1x5x s TYR 77 Ca 0.13 0.21 -0.05 0.00 -0.37 0.00 0.00 57.07 56.99 1x5x s TYR 77 Cb -0.10 0.10 -0.03 0.00 -0.40 0.00 0.00 41.96 41.52 1x5x s TYR 77 CO 0.04 -0.41 0.00 0.15 -1.57 0.00 0.00 175.55 173.76 1x5x s LYS 78 N -1.58 3.69 0.02 -0.62 1.02 -1.24 -2.96 119.74 118.07 1x5x s LYS 78 Ca -0.12 -0.44 0.03 0.00 0.02 0.00 0.00 55.97 55.47 1x5x s LYS 78 Cb -0.04 -3.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.25 1x5x s LYS 78 CO 0.03 0.32 -0.11 -0.06 -0.92 0.00 0.00 175.35 174.61 1x5x s PHE 79 N 0.17 0.94 -0.02 3.18 0.08 -0.51 -2.42 117.98 119.40 1x5x s PHE 79 Ca 0.01 -0.30 -0.00 0.00 0.12 0.00 0.00 56.93 56.76 1x5x s PHE 79 Cb -0.13 -0.57 0.03 0.00 -0.57 0.00 0.00 43.02 41.78 1x5x s PHE 79 CO 0.02 -0.00 0.02 -1.59 -0.10 0.00 0.00 175.22 173.57 1x5x s LYS 80 N -0.86 0.07 -0.07 0.44 -2.85 -1.07 -0.77 119.74 114.64 1x5x s LYS 80 Ca 0.00 0.17 -0.29 0.00 -1.00 0.00 0.00 55.97 54.84 1x5x s LYS 80 Cb -0.06 -0.35 -0.02 0.00 -2.06 0.00 0.00 37.83 35.34 1x5x s LYS 80 CO 0.00 -0.17 0.98 0.54 0.10 0.00 0.00 175.35 176.80 1x5x s VAL 81 N 1.14 4.83 -0.26 1.79 0.11 -1.26 -2.16 120.40 124.59 1x5x s VAL 81 Ca -0.08 2.01 0.01 0.00 -2.93 0.00 0.00 61.98 61.00 1x5x s VAL 81 Cb -0.13 -4.30 0.05 0.00 -1.53 0.00 0.00 36.38 30.47 1x5x s VAL 81 CO -0.03 0.07 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.09 1x5x s ILE 82 N 1.61 2.41 -0.21 7.04 1.01 -0.20 -1.73 121.20 131.12 1x5x s ILE 82 Ca 0.49 -1.43 -0.20 0.00 0.00 0.00 0.00 60.65 59.51 1x5x s ILE 82 Cb -0.19 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1x5x s ILE 82 CO 0.21 0.05 0.58 0.00 0.00 0.00 0.00 174.94 175.79 1x5x s ALA 83 N 1.18 3.56 0.15 9.38 0.00 -1.26 0.19 121.76 134.95 1x5x s ALA 83 Ca -0.05 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.55 1x5x s ALA 83 Cb -0.19 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1x5x s ALA 83 CO -0.05 -0.57 0.01 1.52 0.00 0.00 0.00 175.76 176.67 1x5x s TYR 84 N 1.95 1.06 0.28 0.00 1.13 0.40 -2.66 117.35 119.50 1x5x s TYR 84 Ca 0.26 -1.07 0.08 0.00 -1.41 0.00 0.00 57.07 54.93 1x5x s TYR 84 Cb -0.16 -0.61 -0.06 0.00 -1.10 0.00 0.00 41.96 40.04 1x5x s TYR 84 CO 0.10 -0.30 -0.11 1.21 -2.51 0.00 0.00 175.55 173.94 1x5x s ASN 85 N -3.12 3.08 0.48 -0.18 3.84 0.54 -2.99 114.94 116.59 1x5x s ASN 85 Ca 0.22 -1.13 0.28 0.00 0.21 0.00 0.00 52.86 52.44 1x5x s ASN 85 Cb 0.07 -0.22 1.50 0.00 -0.55 0.00 0.00 41.25 42.04 1x5x s ASN 85 CO 0.02 -0.21 1.82 0.28 -2.79 0.00 0.00 177.10 176.22 1x5x h SER 86 N 2.27 0.00 0.05 -4.21 0.02 -1.97 -0.66 113.55 109.06 1x5x h SER 86 Ca -0.40 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.37 1x5x h SER 86 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1x5x h SER 86 CO 0.66 0.00 -0.95 -0.33 -1.14 0.00 0.00 176.83 175.06 1x5x h GLU 87 N 0.00 0.11 0.00 3.45 5.08 -2.00 -3.50 114.58 117.73 1x5x h GLU 87 Ca 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1x5x h GLU 87 Cb 0.25 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1x5x h GLU 87 CO 0.00 1.09 0.00 0.41 -1.00 0.00 0.00 179.01 179.51 1x5x n GLY 88 N 1.61 1.62 3.34 -3.84 0.00 -0.25 -4.91 105.19 102.77 1x5x n GLY 88 Ca -0.22 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.70 1x5x n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5x s LYS 89 N -1.50 1.31 0.00 1.61 -2.85 -1.26 0.20 119.74 117.26 1x5x s LYS 89 Ca 0.00 -1.54 0.00 0.00 -1.00 0.00 0.00 55.97 53.43 1x5x s LYS 89 Cb 0.00 -1.17 0.00 0.00 -2.06 0.00 0.00 37.83 34.60 1x5x s LYS 89 CO 0.00 0.20 0.00 0.43 0.10 0.00 0.00 175.35 176.08 1x5x n SER 90 N -0.22 1.17 -4.80 0.03 7.64 -1.09 -4.64 113.62 111.71 1x5x n SER 90 Ca -0.09 -0.85 -0.33 0.00 1.01 0.00 0.00 58.87 58.60 1x5x n SER 90 Cb 0.60 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.78 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 -0.83 6.14 0.77 6.43 2.20 -1.26 -4.83 114.94 123.56 1x5x s ASN 91 Ca 0.00 1.87 -0.11 0.00 -0.94 0.00 0.00 52.86 53.68 1x5x s ASN 91 Cb 0.00 -2.55 0.05 0.00 -2.00 0.00 0.00 41.25 36.76 1x5x s ASN 91 CO 0.00 -0.92 1.09 -2.16 -2.94 0.00 0.00 177.10 172.16 1x5x s PRO 92 N -3.59 2.30 0.32 3.55 0.04 -1.26 -4.56 135.00 131.81 1x5x s PRO 92 Ca 0.66 0.72 0.04 0.00 0.04 0.00 0.00 61.00 62.45 1x5x s PRO 92 Cb -0.16 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1x5x s PRO 92 CO 0.27 -1.49 0.48 0.45 0.04 0.00 0.00 177.00 176.75 1x5x s SER 93 N -3.88 6.12 -0.00 6.66 0.15 -0.71 -4.91 113.70 117.13 1x5x s SER 93 Ca 0.60 0.09 -0.39 0.00 0.70 0.00 0.00 55.95 56.95 1x5x s SER 93 Cb -0.14 -1.64 -0.19 0.00 -1.71 0.00 0.00 66.02 62.34 1x5x s SER 93 CO 0.54 -0.33 1.18 -0.62 1.20 0.00 0.00 173.24 175.22 1x5x n GLU 94 N -1.66 0.35 -2.44 5.44 1.02 -1.26 -4.47 120.64 117.61 1x5x n GLU 94 Ca -0.04 0.13 -0.43 0.00 -0.02 0.00 0.00 57.16 56.80 1x5x n GLU 94 Cb 0.57 -1.67 -0.02 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.34 4.27 0.39 2.62 1.01 -1.26 -4.66 120.40 123.11 1x5x s VAL 95 Ca 0.90 1.51 0.08 0.00 0.00 0.00 0.00 61.98 64.46 1x5x s VAL 95 Cb -1.19 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 31.12 1x5x s VAL 95 CO 0.55 -0.24 0.51 0.68 0.00 0.00 0.00 175.10 176.61 1x5x s VAL 96 N 3.74 3.32 0.11 2.92 -7.23 0.05 -4.90 120.40 118.41 1x5x s VAL 96 Ca 0.54 -1.04 0.06 0.00 -1.81 0.00 0.00 61.98 59.73 1x5x s VAL 96 Cb -0.20 -3.13 -0.04 0.00 0.56 0.00 0.00 36.38 33.58 1x5x s VAL 96 CO 0.16 -0.05 -0.14 -0.70 -0.31 0.00 0.00 175.10 174.06 1x5x s GLU 97 N -4.27 0.98 0.29 4.82 2.12 -1.26 -1.42 118.70 119.97 1x5x s GLU 97 Ca 0.51 -1.18 -0.06 0.00 0.36 0.00 0.00 54.97 54.60 1x5x s GLU 97 Cb -0.09 -0.91 -0.00 0.00 0.26 0.00 0.00 34.13 33.39 1x5x s GLU 97 CO 0.32 0.18 0.44 -0.06 -0.54 0.00 0.00 175.26 175.59 1x5x s PHE 98 N -1.93 0.84 0.04 5.30 0.08 -1.16 -5.03 117.98 116.14 1x5x s PHE 98 Ca 0.07 -1.12 0.01 0.00 0.12 0.00 0.00 56.93 56.00 1x5x s PHE 98 Cb -0.06 -0.05 -0.03 0.00 -0.57 0.00 0.00 43.02 42.31 1x5x s PHE 98 CO 0.03 -1.03 -0.05 0.99 -0.10 0.00 0.00 175.22 175.06 1x5x s THR 99 N -3.49 0.33 0.18 0.64 2.01 -1.26 -3.38 115.64 110.67 1x5x s THR 99 Ca 0.29 -1.33 0.02 0.00 0.31 0.00 0.00 61.69 60.98 1x5x s THR 99 Cb 0.00 -0.87 0.03 0.00 0.01 0.00 0.00 72.50 71.67 1x5x s THR 99 CO 0.16 -0.65 0.24 0.35 -0.69 0.00 0.00 174.62 174.03 1x5x n THR 100 N 0.95 0.00 -3.38 -0.82 -2.24 -1.19 -4.79 114.28 102.81 1x5x n THR 100 Ca -0.19 -0.51 -0.19 0.00 -2.27 0.00 0.00 64.05 60.89 1x5x n THR 100 Cb 0.57 -0.99 -0.01 0.00 -2.10 0.00 0.00 70.33 67.80 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 -4.20 4.11 -0.03 0.00 0.04 -1.26 -2.53 135.00 131.13 1x5x s PRO 102 Ca 0.48 1.51 0.01 0.00 0.04 0.00 0.00 61.00 63.04 1x5x s PRO 102 Cb -0.08 -2.49 0.01 0.00 0.04 0.00 0.00 34.50 31.98 1x5x s PRO 102 CO 0.31 -0.19 -0.05 0.34 0.04 0.00 0.00 177.00 177.45 1x5x s ASP 103 N -1.60 0.78 -0.30 6.66 2.15 -1.26 -4.95 116.67 118.15 1x5x s ASP 103 Ca 0.59 -0.11 -0.01 0.00 0.43 0.00 0.00 52.55 53.45 1x5x s ASP 103 Cb -0.22 -0.27 0.19 0.00 -0.30 0.00 0.00 42.92 42.32 1x5x s ASP 103 CO 0.27 -0.00 0.58 -0.55 -0.17 0.00 0.00 175.17 175.30 1x5x s SER 104 N 0.46 -1.29 0.00 -0.34 0.15 -1.26 -5.01 113.70 106.41 1x5x s SER 104 Ca -0.06 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1x5x s SER 104 Cb -0.09 2.09 0.00 0.00 -1.71 0.00 0.00 66.02 66.31 1x5x s SER 104 CO -0.00 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1x5x n GLY 105 N 5.43 2.83 0.20 9.45 0.00 -1.26 -4.89 105.19 116.95 1x5x n GLY 105 Ca -0.01 -1.94 -0.19 0.00 0.00 0.00 0.00 46.02 43.89 1x5x n GLY 105 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5x h PRO 106 N 0.00 0.70 -5.05 1.61 0.13 -2.07 -3.43 132.00 123.89 1x5x h PRO 106 Ca 0.00 -0.68 -0.63 0.00 -0.87 0.00 0.00 66.00 63.82 1x5x h PRO 106 Cb 0.00 0.18 -0.17 0.00 0.13 0.00 0.00 31.00 31.14 1x5x h PRO 106 CO 0.00 1.27 -0.54 -1.54 -0.23 0.00 0.00 178.00 176.96 1x5x s SER 107 N -7.15 5.81 0.08 1.44 1.04 -1.26 -5.08 113.70 108.57 1x5x s SER 107 Ca -0.10 0.02 0.07 0.00 0.48 0.00 0.00 55.95 56.41 1x5x s SER 107 Cb 0.07 -2.05 -0.03 0.00 0.10 0.00 0.00 66.02 64.11 1x5x s SER 107 CO 0.90 0.04 -0.18 -0.55 0.98 0.00 0.00 173.24 174.44 1x5x s SER 108 N 1.19 2.13 0.00 7.02 0.15 -1.26 -5.03 113.70 117.90 1x5x s SER 108 Ca 0.06 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1x5x s SER 108 Cb -0.14 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 1x5x s SER 108 CO 0.05 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.12