#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 -4.54 -3.49 1.61 2.88 -1.26 -5.07 113.62 103.75 1x5x n SER 2 Ca 0.00 1.36 -0.16 0.00 -1.33 0.00 0.00 58.87 58.74 1x5x n SER 2 Cb 0.00 -5.09 -0.05 0.00 -0.75 0.00 0.00 64.21 58.33 1x5x n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5x s SER 3 N -1.14 -0.62 0.00 -3.46 0.01 -1.26 -5.18 113.70 102.05 1x5x s SER 3 Ca -0.13 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1x5x s SER 3 Cb 0.01 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1x5x s SER 3 CO 0.74 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1x5x n GLY 4 N 0.47 -1.69 2.98 3.44 0.00 -1.26 -5.09 105.19 104.04 1x5x n GLY 4 Ca -0.18 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 1x5x n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5x s SER 5 N -1.68 0.05 -0.26 1.61 0.15 -1.26 -5.10 113.70 107.21 1x5x s SER 5 Ca 0.00 -0.14 -0.40 0.00 0.70 0.00 0.00 55.95 56.11 1x5x s SER 5 Cb 0.00 0.13 -0.15 0.00 -1.71 0.00 0.00 66.02 64.29 1x5x s SER 5 CO 0.00 -0.18 1.75 -1.20 1.20 0.00 0.00 173.24 174.81 1x5x n SER 6 N 2.27 2.44 0.00 5.45 7.64 -1.26 -4.72 113.62 125.44 1x5x n SER 6 Ca -0.18 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1x5x n SER 6 Cb 0.57 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1x5x n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5x n GLY 7 N 4.18 2.86 3.74 0.23 0.00 -1.26 -5.04 105.19 109.90 1x5x n GLY 7 Ca 0.26 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 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 2.93 4.57 1.19 1.61 0.04 -1.26 -4.91 135.00 139.17 1x5x s PRO 8 Ca 0.00 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 62.64 1x5x s PRO 8 Cb 0.00 -3.27 0.25 0.00 0.04 0.00 0.00 34.50 31.52 1x5x s PRO 8 CO 0.00 0.05 0.71 0.43 0.04 0.00 0.00 177.00 178.22 1x5x n SER 9 N 2.37 -2.12 -4.64 6.66 7.64 -1.26 -4.75 113.62 117.52 1x5x n SER 9 Ca 0.03 -0.22 -0.45 0.00 1.01 0.00 0.00 58.87 59.24 1x5x n SER 9 Cb 0.46 -1.15 -0.04 0.00 -1.01 0.00 0.00 64.21 62.47 1x5x n SER 9 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1x5x n MET 10 N -4.21 2.25 -1.54 1.43 1.56 -1.26 -4.90 117.12 110.44 1x5x n MET 10 Ca 0.02 0.77 -0.29 0.00 -0.27 0.00 0.00 57.70 57.93 1x5x n MET 10 Cb 0.57 -2.87 0.13 0.00 2.15 0.00 0.00 33.22 33.19 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 4.91 1.18 0.11 2.12 0.04 -1.26 -4.94 135.00 137.16 1x5x s PRO 11 Ca 0.95 0.30 -0.27 0.00 0.04 0.00 0.00 61.00 62.02 1x5x s PRO 11 Cb -0.55 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.08 1x5x s PRO 11 CO 0.45 -2.17 0.84 0.00 0.04 0.00 0.00 177.00 176.16 1x5x s ALA 12 N -3.28 3.35 0.46 8.56 0.00 -1.26 -4.70 121.76 124.89 1x5x s ALA 12 Ca 0.64 0.41 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 1x5x s ALA 12 Cb -0.15 -3.08 -0.11 0.00 0.00 0.00 0.00 23.12 19.78 1x5x s ALA 12 CO 0.53 0.11 0.73 0.43 0.00 0.00 0.00 175.76 177.57 1x5x n SER 13 N 2.36 -0.05 -4.69 0.00 7.64 -1.26 -4.24 113.62 113.38 1x5x n SER 13 Ca -0.02 0.92 -0.42 0.00 1.01 0.00 0.00 58.87 60.36 1x5x n SER 13 Cb 0.49 -1.22 -0.03 0.00 -1.01 0.00 0.00 64.21 62.44 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 -1.89 4.37 0.09 1.43 0.04 -1.26 -4.73 135.00 133.05 1x5x s PRO 14 Ca 0.65 1.70 -0.02 0.00 0.04 0.00 0.00 61.00 63.38 1x5x s PRO 14 Cb -0.55 -3.51 0.02 0.00 0.04 0.00 0.00 34.50 30.50 1x5x s PRO 14 CO 0.56 -0.40 0.13 1.33 0.04 0.00 0.00 177.00 178.66 1x5x n VAL 15 N 4.44 0.00 -3.49 -0.36 0.24 0.16 -4.71 118.33 114.60 1x5x n VAL 15 Ca 0.10 -0.10 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 1x5x n VAL 15 Cb 0.46 -1.92 -0.12 0.00 -1.47 0.00 0.00 33.84 30.80 1x5x n VAL 15 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1x5x s LEU 16 N 0.00 1.20 0.05 1.34 2.96 -1.26 -2.06 118.68 120.91 1x5x s LEU 16 Ca 0.07 -2.25 -0.36 0.00 -0.22 0.00 0.00 54.13 51.37 1x5x s LEU 16 Cb -0.00 -0.48 -0.20 0.00 0.50 0.00 0.00 46.19 46.01 1x5x s LEU 16 CO 0.05 -0.30 1.51 0.71 -1.32 0.00 0.00 176.35 177.00 1x5x h THR 17 N 5.05 0.00 -3.42 3.68 1.35 -1.56 -3.43 112.91 114.57 1x5x h THR 17 Ca 0.05 -0.03 -0.46 0.00 -0.55 0.00 0.00 66.41 65.42 1x5x h THR 17 Cb 0.96 0.00 -0.34 0.00 -1.73 0.00 0.00 68.15 67.04 1x5x h THR 17 CO 0.29 0.00 -0.79 -0.54 -0.25 0.00 0.00 175.52 174.23 1x5x s LYS 18 N -5.80 1.26 -0.30 4.72 1.02 -1.23 -5.05 119.74 114.36 1x5x s LYS 18 Ca -0.19 -0.25 -0.09 0.00 0.02 0.00 0.00 55.97 55.46 1x5x s LYS 18 Cb 0.02 -1.14 -0.01 0.00 -0.52 0.00 0.00 37.83 36.18 1x5x s LYS 18 CO 0.57 -0.04 0.14 0.00 -0.92 0.00 0.00 175.35 175.10 1x5x s ALA 19 N 0.85 3.27 0.50 5.17 0.00 -1.26 -1.21 121.76 129.07 1x5x s ALA 19 Ca -0.12 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.52 1x5x s ALA 19 Cb -0.15 -2.34 0.07 0.00 0.00 0.00 0.00 23.12 20.71 1x5x s ALA 19 CO 0.01 -0.83 0.54 0.41 0.00 0.00 0.00 175.76 175.90 1x5x n GLY 20 N 4.97 1.15 0.12 0.00 0.00 0.29 -4.43 105.19 107.30 1x5x n GLY 20 Ca -0.14 -2.07 -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 -0.31 1.01 0.00 -0.61 2.04 -1.92 -1.32 117.51 116.41 1x5x h ILE 21 Ca -0.18 -2.39 -0.01 0.00 1.00 0.00 0.00 64.86 63.29 1x5x h ILE 21 Cb 0.72 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.48 1x5x h ILE 21 CO 0.21 0.70 -0.21 0.35 0.00 0.00 0.00 178.15 179.20 1x5x n THR 22 N -3.93 1.81 -3.59 -0.27 -2.24 -1.26 -3.32 114.28 101.49 1x5x n THR 22 Ca -0.25 -2.38 -0.14 0.00 -2.27 0.00 0.00 64.05 59.00 1x5x n THR 22 Cb 0.89 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.72 -0.42 -0.04 4.78 1.48 -1.26 -2.68 118.94 118.08 1x5x s TRP 23 Ca 0.32 0.51 -0.01 0.00 -1.06 0.00 0.00 56.10 55.86 1x5x s TRP 23 Cb 0.29 0.33 0.03 0.00 -1.16 0.00 0.00 33.47 32.96 1x5x s TRP 23 CO -0.01 -0.62 0.04 -0.51 -4.06 0.00 0.00 176.95 171.79 1x5x s LEU 24 N -1.85 0.41 -0.54 -4.66 1.43 -0.52 -0.55 118.68 112.41 1x5x s LEU 24 Ca -0.06 0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 52.90 1x5x s LEU 24 Cb -0.01 -0.19 0.10 0.00 0.03 0.00 0.00 46.19 46.12 1x5x s LEU 24 CO -0.00 -0.21 0.58 -0.44 0.23 0.00 0.00 176.35 176.50 1x5x s SER 25 N 1.91 6.19 0.30 2.29 0.01 -0.35 -0.77 113.70 123.27 1x5x s SER 25 Ca 0.02 -1.41 0.03 0.00 1.31 0.00 0.00 55.95 55.90 1x5x s SER 25 Cb -0.12 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 1x5x s SER 25 CO -0.03 -0.92 0.46 -0.76 0.41 0.00 0.00 173.24 172.40 1x5x s LEU 26 N 2.19 4.12 -0.16 2.44 1.43 -1.11 -1.41 118.68 126.19 1x5x s LEU 26 Ca 0.08 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.33 1x5x s LEU 26 Cb -0.25 -3.02 0.07 0.00 0.03 0.00 0.00 46.19 43.02 1x5x s LEU 26 CO 0.06 -0.24 0.19 -1.10 0.23 0.00 0.00 176.35 175.50 1x5x s GLN 27 N -4.16 0.12 0.27 1.70 -0.21 -0.88 -3.32 119.66 113.19 1x5x s GLN 27 Ca 0.38 0.34 0.11 0.00 0.02 0.00 0.00 55.36 56.22 1x5x s GLN 27 Cb -0.09 -0.87 -0.05 0.00 1.00 0.00 0.00 33.01 33.00 1x5x s GLN 27 CO 0.32 -0.51 -0.16 1.67 -2.12 0.00 0.00 175.29 174.49 1x5x s TRP 28 N 2.31 2.38 0.48 0.91 -2.14 -1.24 0.36 118.94 122.00 1x5x s TRP 28 Ca 0.05 -0.31 0.03 0.00 2.66 0.00 0.00 56.10 58.53 1x5x s TRP 28 Cb -0.14 -1.04 -0.04 0.00 -3.10 0.00 0.00 33.47 29.15 1x5x s TRP 28 CO -0.09 0.69 0.01 -1.54 -2.66 0.00 0.00 176.95 173.35 1x5x s SER 29 N -3.50 4.02 0.43 -2.66 1.04 -1.26 -4.56 113.70 107.21 1x5x s SER 29 Ca 0.30 -1.56 0.07 0.00 0.48 0.00 0.00 55.95 55.24 1x5x s SER 29 Cb -0.05 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 1x5x s SER 29 CO 0.16 -0.72 0.32 -1.59 0.98 0.00 0.00 173.24 172.38 1x5x s LYS 30 N -3.82 2.40 0.46 4.02 -2.85 -1.26 -4.19 119.74 114.50 1x5x s LYS 30 Ca 0.16 -1.69 -0.21 0.00 -1.00 0.00 0.00 55.97 53.23 1x5x s LYS 30 Cb 0.04 -2.22 -0.09 0.00 -2.06 0.00 0.00 37.83 33.51 1x5x s LYS 30 CO 0.08 -0.21 1.04 -1.25 0.10 0.00 0.00 175.35 175.11 1x5x s PRO 31 N -4.07 3.90 0.00 1.78 0.04 -1.26 -4.88 135.00 130.51 1x5x s PRO 31 Ca 0.44 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1x5x s PRO 31 Cb -0.01 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1x5x s PRO 31 CO 0.25 -0.36 0.42 0.43 0.04 0.00 0.00 177.00 177.79 1x5x n SER 32 N -0.74 0.00 -4.45 6.66 7.64 -1.26 -4.19 113.62 117.28 1x5x n SER 32 Ca 0.08 0.42 -0.43 0.00 1.01 0.00 0.00 58.87 59.95 1x5x n SER 32 Cb 0.52 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.00 1.41 0.58 0.23 0.00 -1.26 -5.03 107.32 103.24 1x5x s GLY 33 Ca 0.00 -1.92 -0.14 0.00 0.00 0.00 0.00 44.72 42.67 1x5x s GLY 33 CO 0.00 2.07 1.01 -0.51 0.00 0.00 0.00 173.10 175.68 1x5x s THR 34 N 3.99 4.54 0.55 0.90 -4.23 -1.26 -4.99 115.64 115.13 1x5x s THR 34 Ca 0.23 1.02 -0.18 0.00 -1.18 0.00 0.00 61.69 61.58 1x5x s THR 34 Cb -0.16 -3.75 -0.06 0.00 1.34 0.00 0.00 72.50 69.88 1x5x s THR 34 CO 0.08 -0.89 1.04 -2.16 -0.54 0.00 0.00 174.62 172.16 1x5x s PRO 35 N -4.61 3.56 -0.75 3.99 0.04 -1.26 -4.86 135.00 131.10 1x5x s PRO 35 Ca 0.57 1.24 -0.25 0.00 0.04 0.00 0.00 61.00 62.60 1x5x s PRO 35 Cb -0.11 -2.06 -0.16 0.00 0.04 0.00 0.00 34.50 32.21 1x5x s PRO 35 CO 0.43 -0.62 2.46 0.43 0.04 0.00 0.00 177.00 179.74 1x5x n SER 36 N -1.58 1.22 0.04 6.66 7.64 -1.26 -3.39 113.62 122.95 1x5x n SER 36 Ca 0.09 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.45 1x5x n SER 36 Cb 0.53 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 1x5x n SER 36 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x5x n ASP 37 N 13.77 -0.79 -1.78 6.43 -0.08 -1.26 -5.15 116.55 127.68 1x5x n ASP 37 Ca 0.50 0.41 0.00 0.00 -1.51 0.00 0.00 54.79 54.20 1x5x n ASP 37 Cb 0.34 1.02 0.00 0.00 2.34 0.00 0.00 41.12 44.81 1x5x n ASP 37 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1x5x n GLU 38 N -2.79 -5.05 0.00 -0.67 0.00 -1.22 -4.93 120.64 105.97 1x5x n GLU 38 Ca 0.00 3.70 0.00 0.00 0.00 0.00 0.00 57.16 60.86 1x5x n GLU 38 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 31.44 27.33 1x5x n GLU 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1x5x n GLY 39 N -0.12 1.42 3.56 8.31 0.00 -1.26 -5.09 105.19 112.01 1x5x n GLY 39 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1x5x n GLY 39 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x5x n ILE 40 N -1.13 2.92 -4.46 -0.61 5.41 -1.26 -4.99 119.36 115.24 1x5x n ILE 40 Ca 0.00 -0.46 -0.22 0.00 1.00 0.00 0.00 62.75 63.08 1x5x n ILE 40 Cb 0.00 -0.97 -0.11 0.00 -0.71 0.00 0.00 39.64 37.86 1x5x n ILE 40 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1x5x s SER 41 N -1.37 2.62 -0.05 4.38 1.04 -1.24 -4.79 113.70 114.29 1x5x s SER 41 Ca 0.72 -1.32 -0.02 0.00 0.48 0.00 0.00 55.95 55.81 1x5x s SER 41 Cb -0.39 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 65.62 1x5x s SER 41 CO 0.51 -0.52 0.08 -0.31 0.98 0.00 0.00 173.24 173.98 1x5x s TYR 42 N -3.16 0.01 -0.40 5.02 1.51 -1.16 -3.16 117.35 116.00 1x5x s TYR 42 Ca 0.34 0.32 -0.16 0.00 -1.01 0.00 0.00 57.07 56.56 1x5x s TYR 42 Cb 0.08 -0.42 0.01 0.00 -0.11 0.00 0.00 41.96 41.52 1x5x s TYR 42 CO 0.15 -0.20 0.39 0.42 -1.11 0.00 0.00 175.55 175.20 1x5x s ILE 43 N 2.09 5.14 -0.34 2.71 1.01 -0.52 -4.13 121.20 127.16 1x5x s ILE 43 Ca 0.03 -0.30 -0.28 0.00 0.00 0.00 0.00 60.65 60.10 1x5x s ILE 43 Cb -0.12 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 1x5x s ILE 43 CO -0.04 -0.32 1.75 -0.22 0.00 0.00 0.00 174.94 176.11 1x5x s LEU 44 N 2.03 3.52 0.42 2.97 2.96 -1.17 -3.12 118.68 126.29 1x5x s LEU 44 Ca 0.11 1.25 0.01 0.00 -0.22 0.00 0.00 54.13 55.28 1x5x s LEU 44 Cb -0.17 -3.52 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 1x5x s LEU 44 CO 0.13 -1.66 0.62 -1.61 -1.32 0.00 0.00 176.35 172.50 1x5x s GLU 45 N 5.54 3.12 -0.28 1.98 2.02 -0.58 -2.25 118.70 128.26 1x5x s GLU 45 Ca 0.77 -0.56 -0.19 0.00 0.02 0.00 0.00 54.97 55.01 1x5x s GLU 45 Cb -0.21 -2.62 0.10 0.00 0.10 0.00 0.00 34.13 31.50 1x5x s GLU 45 CO 0.34 -0.16 0.79 1.41 0.02 0.00 0.00 175.26 177.66 1x5x s MET 46 N -4.46 0.65 -0.23 1.61 -2.45 -0.69 -2.66 119.30 111.06 1x5x s MET 46 Ca 0.47 0.99 0.02 0.00 -1.25 0.00 0.00 55.69 55.91 1x5x s MET 46 Cb -0.10 0.20 0.04 0.00 1.25 0.00 0.00 34.83 36.22 1x5x s MET 46 CO 0.36 -0.11 -0.14 -2.00 1.05 0.00 0.00 175.02 174.18 1x5x s GLU 47 N 1.15 2.62 0.00 4.11 -6.30 -0.82 -2.15 118.70 117.31 1x5x s GLU 47 Ca -0.06 -1.09 0.00 0.00 -2.50 0.00 0.00 54.97 51.32 1x5x s GLU 47 Cb -0.05 -2.78 0.00 0.00 0.00 0.00 0.00 34.13 31.30 1x5x s GLU 47 CO -0.13 -0.40 0.00 -1.91 0.02 0.00 0.00 175.26 172.84 1x5x n GLU 48 N 4.54 0.00 0.00 4.30 4.07 -1.26 -3.97 120.64 128.32 1x5x n GLU 48 Ca -0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 1x5x n GLU 48 Cb 0.46 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.84 1x5x n GLU 48 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1x5x n GLU 49 N 0.00 -0.03 -1.60 5.31 2.13 -1.26 -5.01 120.64 120.18 1x5x n GLU 49 Ca 0.00 0.00 -0.63 0.00 0.66 0.00 0.00 57.16 57.19 1x5x n GLU 49 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 1x5x n GLU 49 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1x5x n THR 50 N -0.09 0.00 0.00 6.31 5.66 -1.26 0.02 114.28 124.91 1x5x n THR 50 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1x5x n THR 50 Cb 0.00 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.31 1x5x n THR 50 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1x5x n SER 51 N 4.06 0.00 0.00 1.09 3.41 -1.26 -4.64 113.62 116.28 1x5x n SER 51 Ca 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1x5x n SER 51 Cb -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1x5x n SER 51 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5x n GLY 52 N 0.00 2.64 3.26 5.00 0.00 0.10 -4.92 105.19 111.27 1x5x n GLY 52 Ca 0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 1x5x n GLY 52 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x5x n TYR 53 N 0.00 -0.80 -0.71 1.61 4.01 -1.26 -4.60 117.16 115.40 1x5x n TYR 53 Ca 0.00 0.34 0.00 0.00 -0.16 0.00 0.00 57.90 58.08 1x5x n TYR 53 Cb 0.00 -1.21 0.00 0.00 -0.31 0.00 0.00 39.34 37.82 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 0.84 0.09 3.95 2.72 0.00 -1.26 -4.75 105.19 106.78 1x5x n GLY 54 Ca -0.03 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 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 3.19 0.04 1.61 0.40 -1.26 -4.75 117.98 117.21 1x5x s PHE 55 Ca 0.00 0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.65 1x5x s PHE 55 Cb 0.00 -2.45 -0.02 0.00 0.51 0.00 0.00 43.02 41.06 1x5x s PHE 55 CO 0.00 -0.51 -0.11 0.15 0.70 0.00 0.00 175.22 175.46 1x5x s LYS 56 N -4.66 0.68 0.56 0.44 -0.14 -0.91 -4.93 119.74 110.77 1x5x s LYS 56 Ca 0.50 -0.74 -0.17 0.00 -1.36 0.00 0.00 55.97 54.20 1x5x s LYS 56 Cb -0.10 -0.59 -0.05 0.00 -1.68 0.00 0.00 37.83 35.41 1x5x s LYS 56 CO 0.39 0.13 1.05 -1.25 -0.76 0.00 0.00 175.35 174.91 1x5x s PRO 57 N -1.36 3.51 0.24 -1.68 0.04 -1.26 -1.71 135.00 132.78 1x5x s PRO 57 Ca -0.04 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1x5x s PRO 57 Cb -0.09 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1x5x s PRO 57 CO 0.01 -0.66 0.00 1.63 0.04 0.00 0.00 177.00 178.02 1x5x n LYS 58 N -1.70 0.00 -4.07 4.56 4.76 -0.95 -4.92 118.16 115.83 1x5x n LYS 58 Ca 0.09 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.24 1x5x n LYS 58 Cb 0.53 -0.11 -0.06 0.00 -1.84 0.00 0.00 35.03 33.55 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 -2.00 3.17 -0.42 2.13 5.04 -1.22 -4.99 117.35 119.06 1x5x s TYR 59 Ca 0.00 0.04 0.05 0.00 -2.44 0.00 0.00 57.07 54.71 1x5x s TYR 59 Cb 0.00 -1.57 0.17 0.00 0.35 0.00 0.00 41.96 40.91 1x5x s TYR 59 CO 0.00 0.52 0.49 0.16 -1.34 0.00 0.00 175.55 175.38 1x5x s ASP 60 N -2.67 0.23 0.26 4.32 -4.77 -1.26 -3.06 116.67 109.72 1x5x s ASP 60 Ca 0.30 -1.90 -0.08 0.00 -3.30 0.00 0.00 52.55 47.58 1x5x s ASP 60 Cb -0.11 0.83 -0.01 0.00 -1.09 0.00 0.00 42.92 42.54 1x5x s ASP 60 CO 0.22 -0.17 0.40 -0.83 0.70 0.00 0.00 175.17 175.49 1x5x s GLY 61 N 0.99 0.98 -0.73 2.12 0.00 -1.26 -5.06 107.32 104.37 1x5x s GLY 61 Ca 0.24 -1.23 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 1x5x s GLY 61 CO -0.08 -0.90 1.89 -1.84 0.00 0.00 0.00 173.10 172.18 1x5x n GLU 62 N -0.40 2.85 -4.75 2.90 0.28 -1.26 -3.01 120.64 117.25 1x5x n GLU 62 Ca -0.00 -3.60 -0.30 0.00 -0.16 0.00 0.00 57.16 53.10 1x5x n GLU 62 Cb 0.63 -2.27 -0.14 0.00 1.43 0.00 0.00 31.44 31.08 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 -1.65 3.28 -0.39 -1.84 1.01 -1.26 -5.02 116.67 110.81 1x5x s ASP 63 Ca 0.55 -0.61 0.00 0.00 0.71 0.00 0.00 52.55 53.20 1x5x s ASP 63 Cb 0.45 -0.31 0.36 0.00 1.01 0.00 0.00 42.92 44.43 1x5x s ASP 63 CO -0.27 0.24 1.85 0.18 0.21 0.00 0.00 175.17 177.38 1x5x n LEU 64 N 1.53 6.34 -3.65 1.23 4.77 -1.26 -4.80 117.00 121.16 1x5x n LEU 64 Ca -0.17 -3.35 -0.00 0.00 -0.03 0.00 0.00 56.01 52.46 1x5x n LEU 64 Cb 0.52 -0.90 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 1x5x n LEU 64 CO 0.23 1.13 1.06 0.00 -1.33 0.00 0.00 177.39 178.48 1x5x s ALA 65 N -2.41 -2.44 0.05 -1.18 0.00 -1.26 -3.60 121.76 110.92 1x5x s ALA 65 Ca 0.41 1.85 -0.08 0.00 0.00 0.00 0.00 51.96 54.15 1x5x s ALA 65 Cb 0.33 -1.87 -0.00 0.00 0.00 0.00 0.00 23.12 21.58 1x5x s ALA 65 CO 0.03 -0.22 0.16 -0.47 0.00 0.00 0.00 175.76 175.25 1x5x s TYR 66 N 0.58 0.13 -0.53 0.00 5.04 -1.21 -5.07 117.35 116.30 1x5x s TYR 66 Ca -0.01 -0.42 -0.02 0.00 -2.44 0.00 0.00 57.07 54.17 1x5x s TYR 66 Cb -0.04 -0.08 0.14 0.00 0.35 0.00 0.00 41.96 42.33 1x5x s TYR 66 CO -0.13 -0.43 0.33 0.99 -1.34 0.00 0.00 175.55 174.98 1x5x s THR 67 N -2.83 3.44 0.25 4.34 2.01 -1.26 -2.75 115.64 118.84 1x5x s THR 67 Ca -0.03 -2.61 -0.31 0.00 0.31 0.00 0.00 61.69 59.05 1x5x s THR 67 Cb 0.00 -3.30 -0.12 0.00 0.01 0.00 0.00 72.50 69.09 1x5x s THR 67 CO -0.05 -0.79 1.65 -0.69 -0.69 0.00 0.00 174.62 174.05 1x5x s VAL 68 N 0.42 2.05 0.36 3.82 1.01 0.05 -4.84 120.40 123.28 1x5x s VAL 68 Ca 0.13 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.23 1x5x s VAL 68 Cb -0.22 -3.02 -0.07 0.00 0.00 0.00 0.00 36.38 33.07 1x5x s VAL 68 CO -0.04 0.00 -0.04 -0.54 0.00 0.00 0.00 175.10 174.49 1x5x s LYS 69 N 0.26 1.84 -0.28 2.72 1.02 -1.26 -1.43 119.74 122.60 1x5x s LYS 69 Ca 0.68 -1.99 -0.07 0.00 0.02 0.00 0.00 55.97 54.62 1x5x s LYS 69 Cb -0.49 -1.59 0.01 0.00 -0.52 0.00 0.00 37.83 35.25 1x5x s LYS 69 CO 0.41 0.04 0.25 0.09 -0.92 0.00 0.00 175.35 175.22 1x5x n ASN 70 N -0.84 -6.49 -2.50 2.83 4.13 -1.09 -4.95 115.26 106.35 1x5x n ASN 70 Ca -0.05 0.70 -0.12 0.00 1.68 0.00 0.00 54.58 56.79 1x5x n ASN 70 Cb 0.65 -4.28 -0.04 0.00 -1.54 0.00 0.00 39.78 34.57 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 0.04 0.00 -4.49 3.41 4.77 -1.18 -4.97 117.00 114.57 1x5x n LEU 71 Ca 0.05 -2.13 -0.28 0.00 -0.03 0.00 0.00 56.01 53.62 1x5x n LEU 71 Cb 0.19 1.36 -0.11 0.00 -2.33 0.00 0.00 43.42 42.54 1x5x n LEU 71 CO 0.35 -0.40 -0.48 -0.13 -1.33 0.00 0.00 177.39 175.40 1x5x s ARG 72 N -2.81 1.78 0.50 3.23 0.52 -1.26 -4.69 118.95 116.22 1x5x s ARG 72 Ca 0.25 -1.27 -0.19 0.00 -0.52 0.00 0.00 55.73 54.01 1x5x s ARG 72 Cb 0.01 -2.07 -0.08 0.00 0.52 0.00 0.00 34.95 33.33 1x5x s ARG 72 CO 0.18 0.45 1.01 -0.98 0.02 0.00 0.00 175.30 175.98 1x5x s ARG 73 N -2.39 3.87 -0.81 3.54 1.04 -1.21 -4.15 118.95 118.83 1x5x s ARG 73 Ca 0.20 1.17 -0.02 0.00 -1.04 0.00 0.00 55.73 56.05 1x5x s ARG 73 Cb -0.10 -2.12 0.00 0.00 -2.04 0.00 0.00 34.95 30.70 1x5x s ARG 73 CO 0.11 -0.35 0.61 0.43 -0.04 0.00 0.00 175.30 176.05 1x5x n SER 74 N -1.21 -4.92 -3.89 -2.89 7.64 -1.00 -4.94 113.62 102.40 1x5x n SER 74 Ca 0.08 -0.92 -0.09 0.00 1.01 0.00 0.00 58.87 58.94 1x5x n SER 74 Cb 0.53 -1.74 -0.06 0.00 -1.01 0.00 0.00 64.21 61.94 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 -2.93 0.05 0.12 0.44 2.01 -1.26 -4.97 115.64 109.10 1x5x s THR 75 Ca 0.01 -1.19 0.10 0.00 0.31 0.00 0.00 61.69 60.93 1x5x s THR 75 Cb -0.00 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 1x5x s THR 75 CO 0.89 -0.24 -0.26 -1.59 -0.69 0.00 0.00 174.62 172.74 1x5x s LYS 76 N -3.94 1.38 0.03 4.92 0.00 -1.26 -1.46 119.74 119.41 1x5x s LYS 76 Ca 0.14 -1.28 -0.13 0.00 0.00 0.00 0.00 55.97 54.71 1x5x s LYS 76 Cb 0.02 -1.80 0.02 0.00 0.00 0.00 0.00 37.83 36.07 1x5x s LYS 76 CO -0.01 0.43 0.27 0.71 0.00 0.00 0.00 175.35 176.75 1x5x s TYR 77 N -1.05 -0.07 -0.17 1.78 2.02 -0.51 -5.00 117.35 114.35 1x5x s TYR 77 Ca 0.12 -0.04 -0.04 0.00 -0.37 0.00 0.00 57.07 56.74 1x5x s TYR 77 Cb -0.10 0.06 -0.03 0.00 -0.40 0.00 0.00 41.96 41.49 1x5x s TYR 77 CO 0.05 -0.46 -0.03 0.15 -1.57 0.00 0.00 175.55 173.70 1x5x s LYS 78 N -2.30 3.65 0.23 -0.62 1.02 -1.25 -1.91 119.74 118.56 1x5x s LYS 78 Ca -0.07 -0.52 0.08 0.00 0.02 0.00 0.00 55.97 55.48 1x5x s LYS 78 Cb -0.02 -2.96 -0.05 0.00 -0.52 0.00 0.00 37.83 34.28 1x5x s LYS 78 CO -0.02 0.17 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.39 1x5x s PHE 79 N 0.56 1.82 -0.23 3.18 0.08 -0.34 -1.95 117.98 121.10 1x5x s PHE 79 Ca -0.02 -0.57 -0.18 0.00 0.12 0.00 0.00 56.93 56.27 1x5x s PHE 79 Cb -0.14 -0.88 0.07 0.00 -0.57 0.00 0.00 43.02 41.49 1x5x s PHE 79 CO 0.02 0.38 0.60 -1.59 -0.10 0.00 0.00 175.22 174.54 1x5x s LYS 80 N -3.65 0.66 -0.38 0.44 -2.85 -1.09 -0.42 119.74 112.46 1x5x s LYS 80 Ca 0.25 0.95 -0.19 0.00 -1.00 0.00 0.00 55.97 55.97 1x5x s LYS 80 Cb -0.00 0.23 0.01 0.00 -2.06 0.00 0.00 37.83 36.00 1x5x s LYS 80 CO 0.09 -0.12 0.58 0.54 0.10 0.00 0.00 175.35 176.54 1x5x s VAL 81 N 0.87 4.94 -0.23 1.79 0.11 -1.26 -1.52 120.40 125.10 1x5x s VAL 81 Ca -0.04 0.30 -0.08 0.00 -2.93 0.00 0.00 61.98 59.23 1x5x s VAL 81 Cb -0.05 -4.06 -0.03 0.00 -1.53 0.00 0.00 36.38 30.70 1x5x s VAL 81 CO -0.07 -0.36 0.08 -0.63 -3.33 0.00 0.00 175.10 170.79 1x5x s ILE 82 N 2.57 4.56 -0.34 7.04 1.01 -1.18 -2.58 121.20 132.28 1x5x s ILE 82 Ca 0.21 -0.09 -0.13 0.00 0.00 0.00 0.00 60.65 60.64 1x5x s ILE 82 Cb -0.15 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.19 1x5x s ILE 82 CO 0.15 0.36 0.24 0.00 0.00 0.00 0.00 174.94 175.69 1x5x s ALA 83 N 1.25 3.47 0.27 9.38 0.00 -1.26 -1.44 121.76 133.44 1x5x s ALA 83 Ca 0.05 -1.42 0.09 0.00 0.00 0.00 0.00 51.96 50.68 1x5x s ALA 83 Cb -0.14 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.26 1x5x s ALA 83 CO 0.04 -1.02 -0.13 1.52 0.00 0.00 0.00 175.76 176.17 1x5x s TYR 84 N 1.70 2.06 0.11 0.00 -0.85 -1.19 -3.39 117.35 115.79 1x5x s TYR 84 Ca 0.06 -0.52 0.09 0.00 -0.52 0.00 0.00 57.07 56.18 1x5x s TYR 84 Cb -0.18 -1.03 -0.04 0.00 0.38 0.00 0.00 41.96 41.10 1x5x s TYR 84 CO 0.10 0.49 -0.23 1.21 -1.52 0.00 0.00 175.55 175.60 1x5x s ASN 85 N -3.45 2.78 0.61 -0.18 2.47 0.52 -3.70 114.94 113.99 1x5x s ASN 85 Ca 0.28 -0.69 0.27 0.00 0.42 0.00 0.00 52.86 53.13 1x5x s ASN 85 Cb -0.00 -0.17 1.18 0.00 -1.45 0.00 0.00 41.25 40.80 1x5x s ASN 85 CO 0.12 0.10 1.59 0.28 -3.72 0.00 0.00 177.10 175.48 1x5x h SER 86 N 4.08 0.00 0.01 -4.21 0.02 -2.01 0.75 113.55 112.19 1x5x h SER 86 Ca -0.47 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.40 1x5x h SER 86 Cb 1.18 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.72 1x5x h SER 86 CO 0.40 0.00 -0.30 -0.33 -1.14 0.00 0.00 176.83 175.45 1x5x h GLU 87 N 0.00 0.18 0.00 3.45 4.39 -1.96 -3.49 114.58 117.14 1x5x h GLU 87 Ca 0.32 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1x5x h GLU 87 Cb 1.97 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.69 1x5x h GLU 87 CO -0.00 0.98 0.00 0.41 -1.16 0.00 0.00 179.01 179.23 1x5x n GLY 88 N 1.18 1.83 3.84 -3.84 0.00 0.26 -4.79 105.19 103.68 1x5x n GLY 88 Ca -0.10 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.00 2.23 0.00 1.61 -0.14 -1.26 0.20 119.74 121.37 1x5x s LYS 89 Ca 0.00 -2.24 0.00 0.00 -1.36 0.00 0.00 55.97 52.37 1x5x s LYS 89 Cb 0.00 -1.79 0.00 0.00 -1.68 0.00 0.00 37.83 34.36 1x5x s LYS 89 CO 0.00 -0.51 0.00 0.43 -0.76 0.00 0.00 175.35 174.51 1x5x n SER 90 N -1.53 0.27 -4.78 2.83 7.64 -1.22 -4.69 113.62 112.14 1x5x n SER 90 Ca -0.12 -0.80 -0.37 0.00 1.01 0.00 0.00 58.87 58.60 1x5x n SER 90 Cb 0.66 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.81 1x5x n SER 90 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1x5x s ASN 91 N -0.60 6.97 0.66 6.43 2.20 -1.26 -4.88 114.94 124.45 1x5x s ASN 91 Ca 0.00 1.96 -0.13 0.00 -0.94 0.00 0.00 52.86 53.76 1x5x s ASN 91 Cb 0.00 -2.58 -0.01 0.00 -2.00 0.00 0.00 41.25 36.66 1x5x s ASN 91 CO 0.00 -0.34 1.06 -2.16 -2.94 0.00 0.00 177.10 172.71 1x5x s PRO 92 N -2.37 3.10 0.76 3.55 0.04 -1.26 -4.52 135.00 134.30 1x5x s PRO 92 Ca 0.55 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 1x5x s PRO 92 Cb -0.20 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 32.38 1x5x s PRO 92 CO 0.26 -0.97 1.12 -1.54 0.04 0.00 0.00 177.00 175.91 1x5x s SER 93 N -3.45 4.81 -0.12 6.66 1.04 -1.07 -4.93 113.70 116.64 1x5x s SER 93 Ca 0.60 0.79 -0.32 0.00 0.48 0.00 0.00 55.95 57.50 1x5x s SER 93 Cb -0.14 -1.40 -0.10 0.00 0.10 0.00 0.00 66.02 64.48 1x5x s SER 93 CO 0.48 -1.69 2.00 -0.62 0.98 0.00 0.00 173.24 174.40 1x5x n GLU 94 N -3.15 2.17 -1.63 4.02 1.02 -1.26 -4.68 120.64 117.14 1x5x n GLU 94 Ca 0.08 0.75 -0.45 0.00 -0.02 0.00 0.00 57.16 57.51 1x5x n GLU 94 Cb 0.60 -2.82 -0.04 0.00 -0.02 0.00 0.00 31.44 29.16 1x5x n GLU 94 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1x5x n VAL 95 N 5.97 0.54 -3.61 2.62 0.31 -1.26 -4.76 118.33 118.13 1x5x n VAL 95 Ca 0.26 -0.23 -0.20 0.00 -0.01 0.00 0.00 64.34 64.16 1x5x n VAL 95 Cb 0.34 -2.17 -0.01 0.00 -0.91 0.00 0.00 33.84 31.09 1x5x n VAL 95 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1x5x s VAL 96 N 5.68 4.30 -0.01 2.52 -7.23 0.44 -4.92 120.40 121.18 1x5x s VAL 96 Ca 0.96 -1.03 0.04 0.00 -1.81 0.00 0.00 61.98 60.14 1x5x s VAL 96 Cb -0.54 -3.49 -0.01 0.00 0.56 0.00 0.00 36.38 32.90 1x5x s VAL 96 CO 0.44 -0.20 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.20 1x5x s GLU 97 N -4.11 1.11 0.10 4.82 2.12 -1.26 -1.19 118.70 120.28 1x5x s GLU 97 Ca 0.42 -0.46 -0.07 0.00 0.36 0.00 0.00 54.97 55.23 1x5x s GLU 97 Cb -0.09 -1.05 -0.01 0.00 0.26 0.00 0.00 34.13 33.23 1x5x s GLU 97 CO 0.30 0.26 0.16 -0.06 -0.54 0.00 0.00 175.26 175.38 1x5x s PHE 98 N -0.22 0.32 0.11 5.30 0.08 -0.80 -5.00 117.98 117.77 1x5x s PHE 98 Ca 0.03 -0.76 0.07 0.00 0.12 0.00 0.00 56.93 56.39 1x5x s PHE 98 Cb -0.06 -0.15 -0.03 0.00 -0.57 0.00 0.00 43.02 42.20 1x5x s PHE 98 CO -0.00 -0.55 -0.17 0.99 -0.10 0.00 0.00 175.22 175.40 1x5x s THR 99 N -3.91 1.44 0.51 0.64 2.01 -1.26 -1.42 115.64 113.65 1x5x s THR 99 Ca 0.09 -1.58 -0.03 0.00 0.31 0.00 0.00 61.69 60.48 1x5x s THR 99 Cb 0.05 -1.45 0.11 0.00 0.01 0.00 0.00 72.50 71.22 1x5x s THR 99 CO -0.08 -0.25 0.70 0.35 -0.69 0.00 0.00 174.62 174.65 1x5x n THR 100 N 0.86 0.00 -3.46 -0.82 -2.24 -0.54 -4.82 114.28 103.27 1x5x n THR 100 Ca -0.18 -0.88 -0.19 0.00 -2.27 0.00 0.00 64.05 60.53 1x5x n THR 100 Cb 0.55 -1.26 -0.01 0.00 -2.10 0.00 0.00 70.33 67.51 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 -4.17 4.43 1.03 0.00 0.04 -1.26 -2.38 135.00 132.69 1x5x s PRO 102 Ca 0.46 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 1x5x s PRO 102 Cb -0.08 -3.40 0.19 0.00 0.04 0.00 0.00 34.50 31.24 1x5x s PRO 102 CO 0.30 -0.27 0.96 -0.40 0.04 0.00 0.00 177.00 177.63 1x5x n ASP 103 N 4.18 -0.83 -4.40 6.66 5.75 -1.26 -4.91 116.55 121.73 1x5x n ASP 103 Ca 0.09 0.16 -0.45 0.00 -0.01 0.00 0.00 54.79 54.58 1x5x n ASP 103 Cb 0.47 -1.34 -0.03 0.00 -1.03 0.00 0.00 41.12 39.19 1x5x n ASP 103 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1x5x s SER 104 N -2.44 6.60 0.24 -1.12 0.15 -1.26 -4.92 113.70 110.96 1x5x s SER 104 Ca 0.66 -2.14 0.00 0.00 0.70 0.00 0.00 55.95 55.17 1x5x s SER 104 Cb -0.23 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1x5x s SER 104 CO 0.62 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1x5x n GLY 105 N 4.99 -2.65 3.70 9.45 0.00 -1.26 -4.82 105.19 114.60 1x5x n GLY 105 Ca 0.16 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.12 4.40 -0.09 1.61 0.04 -1.26 -5.02 135.00 131.55 1x5x s PRO 106 Ca 0.00 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1x5x s PRO 106 Cb 0.00 -3.46 0.02 0.00 0.04 0.00 0.00 34.50 31.10 1x5x s PRO 106 CO 0.00 -0.34 -0.08 -1.12 0.04 0.00 0.00 177.00 175.50 1x5x s SER 107 N 1.28 1.94 -0.43 6.66 0.01 -1.26 -5.10 113.70 116.80 1x5x s SER 107 Ca 0.57 -0.27 -0.21 0.00 1.31 0.00 0.00 55.95 57.34 1x5x s SER 107 Cb -0.27 -0.78 0.02 0.00 0.21 0.00 0.00 66.02 65.20 1x5x s SER 107 CO 0.26 -0.08 0.69 -0.55 0.41 0.00 0.00 173.24 173.96 1x5x s SER 108 N 1.40 6.37 0.00 2.44 0.15 -1.26 -5.21 113.70 117.60 1x5x s SER 108 Ca -0.01 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1x5x s SER 108 Cb -0.13 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1x5x s SER 108 CO -0.04 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.22