#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5o n SER 2 N 0.00 -4.58 -2.78 1.61 2.88 -1.26 -2.32 113.62 107.17 2e5o n SER 2 Ca 0.00 -0.56 -0.18 0.00 -1.33 0.00 0.00 58.87 56.80 2e5o n SER 2 Cb 0.00 -5.00 0.06 0.00 -0.75 0.00 0.00 64.21 58.52 2e5o n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2e5o n SER 3 N -3.00 -5.25 -3.64 -3.46 2.88 -1.26 -5.00 113.62 94.89 2e5o n SER 3 Ca -0.11 -0.40 -0.08 0.00 -1.33 0.00 0.00 58.87 56.95 2e5o n SER 3 Cb 0.60 -3.84 -0.07 0.00 -0.75 0.00 0.00 64.21 60.15 2e5o n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e5o s GLY 4 N -3.23 -0.07 -0.26 0.46 0.00 -0.98 -5.14 107.32 98.10 2e5o s GLY 4 Ca 0.43 2.78 0.01 0.00 0.00 0.00 0.00 44.72 47.95 2e5o s GLY 4 CO 0.54 1.79 -0.02 -0.45 0.00 0.00 0.00 173.10 174.95 2e5o s SER 5 N 0.09 3.98 0.05 1.64 0.15 -1.26 -3.39 113.70 114.95 2e5o s SER 5 Ca 0.04 -1.34 -0.04 0.00 0.70 0.00 0.00 55.95 55.30 2e5o s SER 5 Cb -0.05 -1.20 -0.02 0.00 -1.71 0.00 0.00 66.02 63.05 2e5o s SER 5 CO -0.07 -0.27 0.07 -0.44 1.20 0.00 0.00 173.24 173.72 2e5o s SER 6 N 1.36 0.27 -1.02 5.45 0.01 -1.26 -5.09 113.70 113.42 2e5o s SER 6 Ca -0.02 -0.70 -0.21 0.00 1.31 0.00 0.00 55.95 56.33 2e5o s SER 6 Cb -0.19 0.23 0.08 0.00 0.21 0.00 0.00 66.02 66.36 2e5o s SER 6 CO -0.08 -0.57 1.37 -0.83 0.41 0.00 0.00 173.24 173.53 2e5o s GLY 7 N -2.48 1.55 0.73 3.44 0.00 -1.26 -4.87 107.32 104.42 2e5o s GLY 7 Ca 0.00 -2.51 -0.11 0.00 0.00 0.00 0.00 44.72 42.10 2e5o s GLY 7 CO -0.07 2.45 1.09 -0.98 0.00 0.00 0.00 173.10 175.59 2e5o s TRP 8 N 4.06 3.19 -0.01 1.90 0.52 -1.26 -3.74 118.94 123.60 2e5o s TRP 8 Ca 0.42 1.11 0.01 0.00 0.02 0.00 0.00 56.10 57.66 2e5o s TRP 8 Cb -0.01 -3.05 0.00 0.00 -1.15 0.00 0.00 33.47 29.26 2e5o s TRP 8 CO -0.08 -1.32 -0.02 0.00 0.02 0.00 0.00 176.95 175.55 2e5o s LEU 10 N 0.09 2.39 0.32 0.00 2.96 0.13 -2.74 118.68 121.83 2e5o s LEU 10 Ca -0.01 -1.04 -0.29 0.00 -0.22 0.00 0.00 54.13 52.58 2e5o s LEU 10 Cb -0.03 -1.17 -0.10 0.00 0.50 0.00 0.00 46.19 45.39 2e5o s LEU 10 CO -0.00 -0.20 1.27 -0.94 -1.32 0.00 0.00 176.35 175.15 2e5o s SER 11 N 1.42 6.87 0.12 3.68 1.04 -1.26 -3.01 113.70 122.56 2e5o s SER 11 Ca -0.04 2.61 0.08 0.00 0.48 0.00 0.00 55.95 59.08 2e5o s SER 11 Cb -0.18 -2.65 -0.04 0.00 0.10 0.00 0.00 66.02 63.26 2e5o s SER 11 CO -0.07 -0.46 -0.18 -0.69 0.98 0.00 0.00 173.24 172.82 2e5o s VAL 12 N -1.15 1.62 -0.32 5.02 1.01 0.97 -4.78 120.40 122.77 2e5o s VAL 12 Ca 0.48 -1.65 -0.24 0.00 0.00 0.00 0.00 61.98 60.57 2e5o s VAL 12 Cb -0.38 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.42 2e5o s VAL 12 CO 0.51 -0.20 0.83 -1.00 0.00 0.00 0.00 175.10 175.23 2e5o s HIS 13 N -1.56 3.17 0.94 5.22 3.76 -1.26 -0.73 115.29 124.82 2e5o s HIS 13 Ca 0.08 0.80 -0.11 0.00 -0.15 0.00 0.00 55.06 55.69 2e5o s HIS 13 Cb -0.08 -3.34 0.16 0.00 1.11 0.00 0.00 32.58 30.43 2e5o s HIS 13 CO 0.05 -0.64 1.11 -0.65 -0.85 0.00 0.00 174.74 173.76 2e5o s GLN 14 N 3.10 0.84 0.36 1.40 -0.21 -1.26 -2.80 119.66 121.09 2e5o s GLN 14 Ca 0.34 1.31 0.15 0.00 0.02 0.00 0.00 55.36 57.18 2e5o s GLN 14 Cb -0.14 -1.72 0.68 0.00 1.00 0.00 0.00 33.01 32.84 2e5o s GLN 14 CO 0.14 -2.68 1.77 -1.00 -2.12 0.00 0.00 175.29 171.40 2e5o h PRO 15 N -1.89 0.00 -0.46 2.91 0.13 -1.92 -3.40 132.00 127.37 2e5o h PRO 15 Ca -0.47 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.74 2e5o h PRO 15 Cb 1.28 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.33 2e5o h PRO 15 CO 0.45 0.41 -0.14 0.91 -0.23 0.00 0.00 178.00 179.40 2e5o n TRP 16 N -3.83 0.09 -0.23 1.56 8.01 -1.16 0.17 117.44 122.06 2e5o n TRP 16 Ca -0.01 0.56 -0.06 0.00 -1.31 0.00 0.00 57.50 56.68 2e5o n TRP 16 Cb 0.47 -0.72 -0.05 0.00 -2.01 0.00 0.00 31.31 29.00 2e5o n TRP 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2e5o n ALA 17 N -3.80 -0.35 -0.06 6.99 0.00 -1.12 -0.16 120.51 122.01 2e5o n ALA 17 Ca 0.06 0.47 -0.11 0.00 0.00 0.00 0.00 53.44 53.85 2e5o n ALA 17 Cb 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 2e5o n ALA 17 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2e5o h SER 18 N 0.00 0.32 -1.33 0.00 0.02 -0.62 -2.74 113.55 109.20 2e5o h SER 18 Ca 0.09 -0.28 0.38 0.00 -0.84 0.00 0.00 61.79 61.14 2e5o h SER 18 Cb 0.23 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 2e5o h SER 18 CO -0.52 0.52 1.09 -0.07 -1.14 0.00 0.00 176.83 176.72 2e5o h LEU 19 N 0.10 0.00 0.22 5.07 3.38 -0.14 0.16 115.31 124.11 2e5o h LEU 19 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2e5o h LEU 19 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2e5o h LEU 19 CO 0.01 0.00 -0.10 -0.07 0.09 0.00 0.00 178.44 178.36 2e5o h LEU 20 N 0.00 -0.25 -0.76 1.67 4.07 -0.72 0.10 115.31 119.43 2e5o h LEU 20 Ca 0.63 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.60 2e5o h LEU 20 Cb 2.80 0.06 0.00 0.00 1.08 0.00 0.00 40.66 44.61 2e5o h LEU 20 CO -0.01 -0.06 0.00 1.33 -1.08 0.00 0.00 178.44 178.63 2e5o n VAL 21 N -3.44 1.39 0.11 1.22 0.24 -0.38 -1.56 118.33 115.91 2e5o n VAL 21 Ca -0.04 0.58 -0.24 0.00 -2.04 0.00 0.00 64.34 62.61 2e5o n VAL 21 Cb 0.11 -1.56 -0.15 0.00 -1.47 0.00 0.00 33.84 30.76 2e5o n VAL 21 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2e5o h ARG 22 N 0.00 0.47 0.00 7.34 2.47 -0.73 -3.05 114.38 120.88 2e5o h ARG 22 Ca 0.00 -0.81 0.00 0.00 -1.26 0.00 0.00 59.98 57.91 2e5o h ARG 22 Cb 0.04 0.30 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 2e5o h ARG 22 CO 0.00 1.38 0.00 0.41 0.56 0.00 0.00 179.97 182.32 2e5o n GLY 23 N 1.78 1.46 0.34 0.04 0.00 -0.60 -4.95 105.19 103.25 2e5o n GLY 23 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 2e5o n GLY 23 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2e5o h ILE 24 N 0.00 0.02 -3.31 -0.61 5.03 -1.24 -3.42 117.51 113.98 2e5o h ILE 24 Ca 0.00 -0.42 -0.59 0.00 -0.12 0.00 0.00 64.86 63.74 2e5o h ILE 24 Cb 0.00 0.03 -0.08 0.00 -3.03 0.00 0.00 36.82 33.74 2e5o h ILE 24 CO 0.00 0.00 0.65 -0.75 -0.68 0.00 0.00 178.15 177.37 2e5o s LYS 25 N -4.19 4.08 -0.05 2.37 2.47 0.16 -4.89 119.74 119.70 2e5o s LYS 25 Ca -0.12 0.95 0.10 0.00 -1.56 0.00 0.00 55.97 55.34 2e5o s LYS 25 Cb 0.01 -3.71 0.27 0.00 -1.46 0.00 0.00 37.83 32.94 2e5o s LYS 25 CO 0.36 -0.74 1.21 2.89 0.16 0.00 0.00 175.35 179.23 2e5o n ARG 26 N 6.46 2.76 -3.81 4.03 1.85 -1.26 -4.17 116.66 122.52 2e5o n ARG 26 Ca 0.09 -2.11 -0.12 0.00 -1.00 0.00 0.00 57.85 54.70 2e5o n ARG 26 Cb 0.47 -1.33 -0.09 0.00 -1.05 0.00 0.00 32.46 30.46 2e5o n ARG 26 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2e5o s VAL 27 N -1.53 0.07 0.06 8.89 -7.23 -1.26 -1.36 120.40 118.03 2e5o s VAL 27 Ca 0.22 -0.57 0.07 0.00 -1.81 0.00 0.00 61.98 59.89 2e5o s VAL 27 Cb 0.15 -0.53 -0.03 0.00 0.56 0.00 0.00 36.38 36.52 2e5o s VAL 27 CO 0.09 -0.31 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.70 2e5o s GLU 28 N -1.34 2.04 -0.30 4.82 2.56 -0.15 -4.91 118.70 121.43 2e5o s GLU 28 Ca -0.14 -1.01 -0.05 0.00 0.00 0.00 0.00 54.97 53.78 2e5o s GLU 28 Cb -0.06 -2.19 0.03 0.00 2.00 0.00 0.00 34.13 33.90 2e5o s GLU 28 CO 0.03 0.53 0.04 0.20 -0.56 0.00 0.00 175.26 175.50 2e5o s GLY 29 N -1.60 1.76 0.03 -1.50 0.00 -1.26 -0.93 107.32 103.81 2e5o s GLY 29 Ca 0.16 -1.59 0.01 0.00 0.00 0.00 0.00 44.72 43.30 2e5o s GLY 29 CO 0.07 0.66 -0.05 0.50 0.00 0.00 0.00 173.10 174.28 2e5o s ARG 30 N 1.39 0.39 -0.06 2.90 1.81 -1.17 -4.79 118.95 119.42 2e5o s ARG 30 Ca -0.00 -0.61 0.03 0.00 -1.72 0.00 0.00 55.73 53.42 2e5o s ARG 30 Cb -0.18 -0.11 0.18 0.00 -0.45 0.00 0.00 34.95 34.39 2e5o s ARG 30 CO 0.00 0.01 0.84 -1.13 -0.68 0.00 0.00 175.30 174.34 2e5o n SER 31 N 1.71 2.22 -4.05 0.23 3.41 -1.26 -2.37 113.62 113.50 2e5o n SER 31 Ca -0.22 -2.23 -0.08 0.00 -0.26 0.00 0.00 58.87 56.08 2e5o n SER 31 Cb 0.55 -0.55 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 2e5o n SER 31 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 2e5o s TRP 32 N -1.29 0.54 -0.07 7.33 1.48 -1.26 -4.90 118.94 120.76 2e5o s TRP 32 Ca 0.12 -1.00 -0.02 0.00 -1.06 0.00 0.00 56.10 54.14 2e5o s TRP 32 Cb 0.09 -0.33 -0.04 0.00 -1.16 0.00 0.00 33.47 32.04 2e5o s TRP 32 CO 0.03 -0.47 0.04 -0.47 -4.06 0.00 0.00 176.95 172.03 2e5o s TYR 33 N -3.95 3.27 -0.25 1.66 6.14 -1.26 -4.56 117.35 118.40 2e5o s TYR 33 Ca 0.12 0.25 -0.03 0.00 0.64 0.00 0.00 57.07 58.06 2e5o s TYR 33 Cb 0.07 -1.80 0.08 0.00 0.42 0.00 0.00 41.96 40.73 2e5o s TYR 33 CO -0.06 0.54 0.08 -0.08 0.64 0.00 0.00 175.55 176.66 2e5o s THR 34 N -0.99 0.47 -2.00 4.34 -1.32 -1.26 -4.98 115.64 109.90 2e5o s THR 34 Ca 0.16 -0.83 0.11 0.00 -1.21 0.00 0.00 61.69 59.92 2e5o s THR 34 Cb -0.12 -1.19 0.30 0.00 -1.51 0.00 0.00 72.50 69.99 2e5o s THR 34 CO 0.06 -0.46 1.07 -0.81 -2.21 0.00 0.00 174.62 172.27 2e5o n PRO 35 N 5.04 0.49 -1.86 7.08 -0.04 -1.26 -4.75 135.00 139.70 2e5o n PRO 35 Ca -0.06 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.97 2e5o n PRO 35 Cb 0.45 -1.34 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 2e5o n PRO 35 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2e5o s HIS 36 N -2.00 1.63 -0.19 0.54 5.65 -1.26 -4.92 115.29 114.73 2e5o s HIS 36 Ca 0.16 0.38 -0.00 0.00 0.25 0.00 0.00 55.06 55.84 2e5o s HIS 36 Cb 0.07 -4.04 0.01 0.00 -1.18 0.00 0.00 32.58 27.45 2e5o s HIS 36 CO 0.12 -3.76 -0.15 1.03 -0.65 0.00 0.00 174.74 171.33 2e5o s ARG 37 N 5.30 3.09 0.00 2.88 1.81 -1.26 -4.85 118.95 125.91 2e5o s ARG 37 Ca 0.85 -0.78 0.00 0.00 -1.72 0.00 0.00 55.73 54.07 2e5o s ARG 37 Cb -0.30 -2.70 0.00 0.00 -0.45 0.00 0.00 34.95 31.50 2e5o s ARG 37 CO 0.34 -0.21 0.00 0.41 -0.68 0.00 0.00 175.30 175.16 2e5o n GLY 38 N 4.67 -0.21 3.86 -3.53 0.00 -1.08 -4.57 105.19 104.31 2e5o n GLY 38 Ca -0.20 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 2e5o n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2e5o s ARG 39 N 0.00 3.37 -0.18 1.61 3.52 -1.26 -0.42 118.95 125.59 2e5o s ARG 39 Ca 0.00 -0.19 -0.04 0.00 -0.13 0.00 0.00 55.73 55.37 2e5o s ARG 39 Cb 0.00 -3.12 0.08 0.00 -1.56 0.00 0.00 34.95 30.35 2e5o s ARG 39 CO 0.00 0.76 0.19 -1.17 -0.81 0.00 0.00 175.30 174.27 2e5o s LEU 40 N -1.12 -0.03 0.02 -0.88 2.96 -0.32 -4.18 118.68 115.13 2e5o s LEU 40 Ca 0.16 -0.21 -0.30 0.00 -0.22 0.00 0.00 54.13 53.56 2e5o s LEU 40 Cb -0.12 0.27 -0.06 0.00 0.50 0.00 0.00 46.19 46.78 2e5o s LEU 40 CO 0.05 -0.32 1.36 0.26 -1.32 0.00 0.00 176.35 176.38 2e5o s TRP 41 N 2.29 3.01 -0.22 5.38 0.52 0.93 -0.22 118.94 130.65 2e5o s TRP 41 Ca 0.06 0.93 -0.13 0.00 0.02 0.00 0.00 56.10 56.97 2e5o s TRP 41 Cb -0.15 -3.62 -0.04 0.00 -1.15 0.00 0.00 33.47 28.50 2e5o s TRP 41 CO -0.11 -2.21 0.29 0.42 0.02 0.00 0.00 176.95 175.37 2e5o s ILE 42 N 2.01 5.27 0.10 2.03 -1.09 0.14 0.19 121.20 129.85 2e5o s ILE 42 Ca 0.63 0.48 0.10 0.00 -2.23 0.00 0.00 60.65 59.62 2e5o s ILE 42 Cb -0.32 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 2e5o s ILE 42 CO 0.27 0.30 -0.25 0.00 -1.23 0.00 0.00 174.94 174.03 2e5o s ALA 43 N 1.15 2.15 -0.30 9.38 0.00 -1.16 -2.12 121.76 130.87 2e5o s ALA 43 Ca 0.14 -1.35 -0.27 0.00 0.00 0.00 0.00 51.96 50.49 2e5o s ALA 43 Cb -0.14 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.64 2e5o s ALA 43 CO 0.06 0.48 0.94 0.00 0.00 0.00 0.00 175.76 177.24 2e5o s ALA 44 N -1.03 3.55 1.11 0.00 0.00 -0.69 -0.02 121.76 124.67 2e5o s ALA 44 Ca 0.11 -0.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.76 2e5o s ALA 44 Cb -0.10 -3.49 0.22 0.00 0.00 0.00 0.00 23.12 19.76 2e5o s ALA 44 CO 0.05 -1.28 0.51 0.25 0.00 0.00 0.00 175.76 175.29 2e5o n THR 45 N 5.62 0.00 0.08 0.00 -2.24 0.09 -0.08 114.28 117.76 2e5o n THR 45 Ca 0.08 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.90 2e5o n THR 45 Cb 0.47 -0.58 0.21 0.00 -2.10 0.00 0.00 70.33 68.33 2e5o n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2e5o n ALA 46 N -4.51 3.16 -2.70 6.98 0.00 -1.26 -1.98 120.51 120.19 2e5o n ALA 46 Ca -0.12 -0.97 -0.36 0.00 0.00 0.00 0.00 53.44 52.00 2e5o n ALA 46 Cb 0.35 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 2e5o n ALA 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2e5o s LYS 47 N -1.88 4.09 -0.14 0.00 2.20 -1.26 -4.93 119.74 117.82 2e5o s LYS 47 Ca 0.28 -0.27 -0.27 0.00 -0.36 0.00 0.00 55.97 55.35 2e5o s LYS 47 Cb 0.21 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 2e5o s LYS 47 CO 0.09 0.15 0.90 -1.59 -0.36 0.00 0.00 175.35 174.54 2e5o s LYS 48 N 0.80 4.36 0.04 4.03 -2.85 -1.26 -4.39 119.74 120.46 2e5o s LYS 48 Ca 0.07 1.17 -0.31 0.00 -1.00 0.00 0.00 55.97 55.91 2e5o s LYS 48 Cb -0.13 -3.56 -0.06 0.00 -2.06 0.00 0.00 37.83 32.02 2e5o s LYS 48 CO 0.02 -0.31 1.42 -1.25 0.10 0.00 0.00 175.35 175.33 2e5o s PRO 49 N 2.04 4.29 0.68 1.78 0.04 -1.26 -5.00 135.00 137.57 2e5o s PRO 49 Ca 0.42 2.02 -0.14 0.00 0.04 0.00 0.00 61.00 63.35 2e5o s PRO 49 Cb -0.17 -3.48 0.01 0.00 0.04 0.00 0.00 34.50 30.90 2e5o s PRO 49 CO 0.15 -0.54 1.10 -1.12 0.04 0.00 0.00 177.00 176.63 2e5o s SER 50 N 1.70 5.02 0.00 6.66 0.01 -1.26 -4.91 113.70 120.92 2e5o s SER 50 Ca 0.65 1.95 0.15 0.00 1.31 0.00 0.00 55.95 60.00 2e5o s SER 50 Cb -0.34 -2.54 0.70 0.00 0.21 0.00 0.00 66.02 64.05 2e5o s SER 50 CO 0.28 -1.69 1.42 -0.81 0.41 0.00 0.00 173.24 172.85 2e5o n PRO 51 N -2.63 0.14 -0.05 12.44 -0.04 -1.26 -2.47 135.00 141.12 2e5o n PRO 51 Ca 0.10 0.18 -0.15 0.00 -0.04 0.00 0.00 63.50 63.60 2e5o n PRO 51 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 2e5o n PRO 51 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2e5o n GLN 52 N -1.36 0.69 0.01 0.54 1.13 -1.26 -3.48 117.38 113.65 2e5o n GLN 52 Ca 0.06 0.19 -0.19 0.00 -1.94 0.00 0.00 57.00 55.12 2e5o n GLN 52 Cb 0.13 -1.66 -0.09 0.00 0.11 0.00 0.00 30.24 28.73 2e5o n GLN 52 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2e5o h GLU 53 N 0.02 0.71 -0.16 -1.09 3.07 -1.88 -1.71 114.58 113.54 2e5o h GLU 53 Ca -0.44 -0.68 -0.03 0.00 -0.50 0.00 0.00 59.36 57.70 2e5o h GLU 53 Cb 2.04 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 30.12 2e5o h GLU 53 CO 0.04 1.28 -0.02 0.28 -1.40 0.00 0.00 179.01 179.18 2e5o h VAL 54 N 0.39 1.28 -0.35 3.13 2.07 -1.68 0.37 116.25 121.46 2e5o h VAL 54 Ca -0.10 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 2e5o h VAL 54 Cb 1.54 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 2e5o h VAL 54 CO 0.18 0.28 0.04 -1.28 0.02 0.00 0.00 177.57 176.81 2e5o h SER 55 N 0.01 0.57 0.15 0.57 0.87 -1.65 -0.64 113.55 113.43 2e5o h SER 55 Ca 0.04 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 2e5o h SER 55 Cb 0.43 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2e5o h SER 55 CO 0.01 0.70 -0.07 -0.33 -0.53 0.00 0.00 176.83 176.61 2e5o h GLU 56 N 0.42 -0.19 -0.99 2.24 5.08 -1.31 -3.02 114.58 116.80 2e5o h GLU 56 Ca 0.10 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.58 2e5o h GLU 56 Cb 0.38 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.60 2e5o h GLU 56 CO 0.01 0.19 0.63 -0.07 -1.00 0.00 0.00 179.01 178.76 2e5o h LEU 57 N -0.63 0.94 -0.31 1.33 3.38 -0.28 0.27 115.31 120.01 2e5o h LEU 57 Ca -0.02 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2e5o h LEU 57 Cb 0.47 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2e5o h LEU 57 CO 0.03 0.53 -0.01 1.56 0.09 0.00 0.00 178.44 180.64 2e5o h GLN 58 N 1.03 0.07 -0.02 1.13 4.20 -1.09 0.24 115.11 120.67 2e5o h GLN 58 Ca 0.47 -0.00 -0.18 0.00 0.06 0.00 0.00 58.65 59.00 2e5o h GLN 58 Cb 0.39 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2e5o h GLN 58 CO -0.24 0.05 -0.79 0.00 -0.67 0.00 0.00 178.83 177.18 2e5o h ALA 59 N 1.27 0.62 -0.15 3.87 0.00 -1.23 -2.00 119.26 121.64 2e5o h ALA 59 Ca 0.15 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2e5o h ALA 59 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2e5o h ALA 59 CO -0.26 0.84 0.04 1.15 0.00 0.00 0.00 179.25 181.03 2e5o h THR 60 N 0.15 1.19 -0.00 0.00 2.02 0.14 -2.95 112.91 113.46 2e5o h THR 60 Ca -0.03 -0.59 -0.13 0.00 0.77 0.00 0.00 66.41 66.42 2e5o h THR 60 Cb 1.37 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 2e5o h THR 60 CO 0.12 0.18 -0.64 1.88 0.37 0.00 0.00 175.52 177.43 2e5o h TYR 61 N 0.05 0.00 -0.76 3.16 0.05 -0.61 -2.89 116.97 115.97 2e5o h TYR 61 Ca 0.05 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.92 2e5o h TYR 61 Cb 0.24 -0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.93 2e5o h TYR 61 CO 0.00 0.64 0.50 0.00 -1.05 0.00 0.00 178.16 178.25 2e5o h ARG 62 N 0.00 0.69 0.00 4.88 3.08 -1.19 0.51 114.38 122.34 2e5o h ARG 62 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2e5o h ARG 62 Cb 1.13 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2e5o h ARG 62 CO 0.08 0.45 -0.64 1.28 -1.07 0.00 0.00 179.97 180.08 2e5o n LEU 63 N -4.50 0.61 -0.02 3.04 4.77 -1.14 0.92 117.00 120.69 2e5o n LEU 63 Ca 0.12 0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 2e5o n LEU 63 Cb 0.31 -0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 2e5o n LEU 63 CO 0.33 0.02 -0.52 0.18 -1.33 0.00 0.00 177.39 176.06 2e5o n LEU 64 N -1.89 0.86 0.00 2.23 4.77 0.05 -4.55 117.00 118.48 2e5o n LEU 64 Ca 0.04 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2e5o n LEU 64 Cb 0.40 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2e5o n LEU 64 CO 0.36 0.38 -0.48 0.54 -1.33 0.00 0.00 177.39 176.86 2e5o n ARG 65 N -3.03 3.64 0.00 3.23 5.12 0.16 -5.04 116.66 120.74 2e5o n ARG 65 Ca -0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 2e5o n ARG 65 Cb 1.04 -0.98 0.00 0.00 -1.16 0.00 0.00 32.46 31.36 2e5o n ARG 65 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2e5o n GLY 66 N 2.87 3.83 0.46 -0.13 0.00 0.21 -4.89 105.19 107.53 2e5o n GLY 66 Ca 0.00 -0.77 0.20 0.00 0.00 0.00 0.00 46.02 45.45 2e5o n GLY 66 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2e5o h LYS 67 N 0.00 0.00 -0.33 1.61 5.09 0.23 1.46 116.57 124.63 2e5o h LYS 67 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2e5o h LYS 67 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 2e5o h LYS 67 CO 0.00 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.11 2e5o n ASP 68 N -3.14 0.33 -3.30 7.07 9.92 -1.26 -4.85 116.55 121.33 2e5o n ASP 68 Ca 0.15 -1.68 -0.29 0.00 -0.53 0.00 0.00 54.79 52.43 2e5o n ASP 68 Cb 1.21 -0.17 0.27 0.00 -0.64 0.00 0.00 41.12 41.80 2e5o n ASP 68 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2e5o n VAL 69 N -0.27 0.00 -4.44 2.53 0.24 0.50 -5.06 118.33 111.83 2e5o n VAL 69 Ca 0.00 -0.14 -0.25 0.00 -2.04 0.00 0.00 64.34 61.91 2e5o n VAL 69 Cb 0.08 -1.02 -0.10 0.00 -1.47 0.00 0.00 33.84 31.33 2e5o n VAL 69 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2e5o s GLU 70 N -5.10 1.95 -0.27 7.34 2.02 -1.26 -5.12 118.70 118.26 2e5o s GLU 70 Ca 0.65 -1.85 -0.21 0.00 0.02 0.00 0.00 54.97 53.58 2e5o s GLU 70 Cb -0.10 -1.82 0.08 0.00 0.10 0.00 0.00 34.13 32.39 2e5o s GLU 70 CO 0.53 0.13 0.71 -0.06 0.02 0.00 0.00 175.26 176.59 2e5o s PHE 71 N -2.57 -0.90 0.87 1.61 0.08 -1.26 -4.85 117.98 110.96 2e5o s PHE 71 Ca 0.34 2.00 -0.11 0.00 0.12 0.00 0.00 56.93 59.28 2e5o s PHE 71 Cb 0.01 0.43 0.11 0.00 -0.57 0.00 0.00 43.02 43.01 2e5o s PHE 71 CO 0.18 -0.44 1.09 -1.25 -0.10 0.00 0.00 175.22 174.70 2e5o s PRO 72 N 0.91 1.45 0.11 0.24 0.04 -1.26 -4.98 135.00 131.52 2e5o s PRO 72 Ca -0.04 0.88 0.05 0.00 0.04 0.00 0.00 61.00 61.94 2e5o s PRO 72 Cb -0.05 -1.83 -0.22 0.00 0.04 0.00 0.00 34.50 32.44 2e5o s PRO 72 CO -0.08 -2.12 1.25 -0.97 0.04 0.00 0.00 177.00 175.12 2e5o h ASN 73 N -1.46 0.06 -5.51 6.66 -0.73 -2.05 -3.47 115.58 109.07 2e5o h ASN 73 Ca -0.48 -0.07 -0.24 0.00 1.87 0.00 0.00 56.30 57.38 2e5o h ASN 73 Cb 1.27 -0.02 -0.10 0.00 0.27 0.00 0.00 38.32 39.75 2e5o h ASN 73 CO 0.54 1.05 -0.27 -1.81 -0.37 0.00 0.00 177.43 176.57 2e5o s ASP 74 N -6.76 0.66 -0.36 1.15 1.01 -1.26 -5.14 116.67 105.97 2e5o s ASP 74 Ca 0.00 -1.38 0.00 0.00 0.71 0.00 0.00 52.55 51.88 2e5o s ASP 74 Cb 0.10 0.59 0.12 0.00 1.01 0.00 0.00 42.92 44.74 2e5o s ASP 74 CO 0.83 -1.17 0.18 -0.31 0.21 0.00 0.00 175.17 174.91 2e5o s TYR 75 N -3.47 1.43 1.16 4.23 1.51 -1.26 -5.06 117.35 115.88 2e5o s TYR 75 Ca 0.31 -1.86 -0.18 0.00 -1.01 0.00 0.00 57.07 54.33 2e5o s TYR 75 Cb 0.01 -1.50 0.26 0.00 -0.11 0.00 0.00 41.96 40.62 2e5o s TYR 75 CO 0.17 -0.83 1.11 -1.25 -1.11 0.00 0.00 175.55 173.64 2e5o s PRO 76 N 1.09 -0.84 -0.03 -1.71 0.04 -1.26 -4.83 135.00 127.46 2e5o s PRO 76 Ca 0.14 0.07 -0.03 0.00 0.04 0.00 0.00 61.00 61.23 2e5o s PRO 76 Cb -0.21 -1.63 0.01 0.00 0.04 0.00 0.00 34.50 32.71 2e5o s PRO 76 CO -0.11 -3.49 0.08 -1.54 0.04 0.00 0.00 177.00 171.98 2e5o s SER 77 N -3.78 -0.08 -0.71 6.66 1.04 -1.26 -4.82 113.70 110.75 2e5o s SER 77 Ca 0.70 0.16 -0.00 0.00 0.48 0.00 0.00 55.95 57.28 2e5o s SER 77 Cb -0.12 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2e5o s SER 77 CO 0.56 -0.04 0.59 0.61 0.98 0.00 0.00 173.24 175.95 2e5o n GLY 78 N 3.13 -0.02 3.49 7.32 0.00 0.89 -4.91 105.19 115.09 2e5o n GLY 78 Ca -0.13 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 2e5o n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e5o s LEU 80 N -0.93 3.83 0.00 0.00 0.20 -1.02 -1.70 118.68 119.06 2e5o s LEU 80 Ca -0.09 1.03 0.00 0.00 0.69 0.00 0.00 54.13 55.76 2e5o s LEU 80 Cb -0.02 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.20 2e5o s LEU 80 CO 0.08 -1.09 0.00 0.18 -0.29 0.00 0.00 176.35 175.23 2e5o n LEU 81 N 7.58 1.35 0.00 -0.68 4.77 -0.92 -4.18 117.00 124.91 2e5o n LEU 81 Ca 0.14 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2e5o n LEU 81 Cb 0.47 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2e5o n LEU 81 CO 0.64 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2e5o n GLY 82 N 2.22 5.23 3.29 -0.72 0.00 -0.90 -1.33 105.19 112.99 2e5o n GLY 82 Ca 0.00 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 2e5o n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e5o s VAL 84 N -2.23 0.02 -0.37 0.00 -7.23 0.70 -2.70 120.40 108.57 2e5o s VAL 84 Ca -0.07 -0.10 -0.26 0.00 -1.81 0.00 0.00 61.98 59.74 2e5o s VAL 84 Cb -0.02 -0.04 0.02 0.00 0.56 0.00 0.00 36.38 36.90 2e5o s VAL 84 CO -0.01 -0.05 0.96 -0.62 -0.31 0.00 0.00 175.10 175.07 2e5o s ASP 85 N -0.16 6.70 -0.81 4.85 2.15 0.11 -1.17 116.67 128.34 2e5o s ASP 85 Ca -0.02 0.62 -0.26 0.00 0.43 0.00 0.00 52.55 53.32 2e5o s ASP 85 Cb -0.01 -2.48 0.03 0.00 -0.30 0.00 0.00 42.92 40.16 2e5o s ASP 85 CO -0.00 -0.89 1.41 -0.22 -0.17 0.00 0.00 175.17 175.30 2e5o s LEU 86 N 3.57 3.26 0.03 -1.34 0.20 0.44 0.18 118.68 125.02 2e5o s LEU 86 Ca 0.40 -0.64 -0.23 0.00 0.69 0.00 0.00 54.13 54.35 2e5o s LEU 86 Cb -0.12 -2.56 -0.16 0.00 -0.43 0.00 0.00 46.19 42.92 2e5o s LEU 86 CO 0.19 -1.85 1.44 0.16 -0.29 0.00 0.00 176.35 176.01 2e5o h ILE 87 N 6.37 1.26 -2.75 6.68 -2.65 -1.27 -2.87 117.51 122.28 2e5o h ILE 87 Ca -0.14 -0.82 0.09 0.00 1.03 0.00 0.00 64.86 65.03 2e5o h ILE 87 Cb 1.05 1.69 -0.08 0.00 -2.05 0.00 0.00 36.82 37.43 2e5o h ILE 87 CO 1.31 0.22 0.32 -1.81 0.03 0.00 0.00 178.15 178.23 2e5o s ASP 88 N -5.64 -0.29 -0.33 2.16 1.11 -1.19 -4.89 116.67 107.60 2e5o s ASP 88 Ca -0.15 -0.42 0.01 0.00 0.18 0.00 0.00 52.55 52.18 2e5o s ASP 88 Cb 0.04 0.61 0.10 0.00 1.07 0.00 0.00 42.92 44.75 2e5o s ASP 88 CO 0.69 -1.11 0.09 0.00 1.18 0.00 0.00 175.17 176.02 2e5o s LEU 90 N 1.31 3.27 0.40 0.00 1.43 0.29 -4.82 118.68 120.56 2e5o s LEU 90 Ca 0.11 -0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.16 2e5o s LEU 90 Cb -0.18 -2.71 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 2e5o s LEU 90 CO -0.18 -1.19 0.28 -0.55 0.23 0.00 0.00 176.35 174.93 2e5o s SER 91 N -4.46 4.80 0.65 2.29 0.15 -1.26 0.13 113.70 116.00 2e5o s SER 91 Ca 0.58 -0.85 0.14 0.00 0.70 0.00 0.00 55.95 56.52 2e5o s SER 91 Cb -0.10 -0.58 0.70 0.00 -1.71 0.00 0.00 66.02 64.33 2e5o s SER 91 CO 0.39 -0.56 1.36 1.56 1.20 0.00 0.00 173.24 177.19 2e5o h GLN 92 N 1.23 0.00 0.00 5.44 1.08 -0.90 1.13 115.11 123.09 2e5o h GLN 92 Ca -0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 2e5o h GLN 92 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 2e5o h GLN 92 CO 0.62 0.00 -0.31 -0.22 -0.95 0.00 0.00 178.83 177.97 2e5o h LYS 93 N 0.00 0.00 -0.03 1.46 3.64 -1.93 -3.35 116.57 116.36 2e5o h LYS 93 Ca 0.09 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2e5o h LYS 93 Cb 1.73 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.55 2e5o h LYS 93 CO -0.00 0.00 0.00 1.96 -2.27 0.00 0.00 179.45 179.14 2e5o h GLN 94 N -0.69 0.05 -0.82 1.90 4.20 -1.59 -0.77 115.11 117.39 2e5o h GLN 94 Ca 0.00 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.81 2e5o h GLN 94 Cb 0.31 -0.01 -0.13 0.00 0.30 0.00 0.00 27.48 27.96 2e5o h GLN 94 CO 0.00 0.31 -0.44 0.35 -0.67 0.00 0.00 178.83 178.38 2e5o h PHE 95 N -0.22 -1.30 -0.34 2.96 3.57 0.10 0.34 116.94 122.05 2e5o h PHE 95 Ca 0.01 0.10 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 2e5o h PHE 95 Cb 0.29 0.69 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2e5o h PHE 95 CO 0.02 -0.40 -0.17 1.57 -2.23 0.00 0.00 178.31 177.10 2e5o h LYS 96 N -0.09 0.71 0.17 1.11 2.10 -1.67 0.71 116.57 119.61 2e5o h LYS 96 Ca 0.24 -0.32 0.01 0.00 -2.00 0.00 0.00 60.65 58.59 2e5o h LYS 96 Cb 0.55 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.82 2e5o h LYS 96 CO -0.85 0.92 -0.51 0.93 -2.00 0.00 0.00 179.45 177.93 2e5o h GLU 97 N 0.48 -0.74 -0.00 0.07 5.08 0.60 0.71 114.58 120.78 2e5o h GLU 97 Ca 0.07 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2e5o h GLU 97 Cb 0.71 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2e5o h GLU 97 CO 0.05 -0.50 -0.03 1.96 -1.00 0.00 0.00 179.01 179.50 2e5o h GLN 98 N -0.77 0.02 -2.45 2.33 4.20 -0.50 -3.37 115.11 114.56 2e5o h GLN 98 Ca -0.01 -0.02 -0.70 0.00 0.06 0.00 0.00 58.65 57.98 2e5o h GLN 98 Cb 0.76 0.01 -0.35 0.00 0.30 0.00 0.00 27.48 28.19 2e5o h GLN 98 CO -0.25 0.81 0.10 1.19 -0.67 0.00 0.00 178.83 180.01 2e5o n PHE 99 N -4.69 3.12 0.40 2.96 3.01 0.25 -4.82 117.46 117.69 2e5o n PHE 99 Ca -0.09 -3.37 0.11 0.00 1.01 0.00 0.00 57.45 55.11 2e5o n PHE 99 Cb 0.40 -0.87 0.47 0.00 -0.01 0.00 0.00 39.48 39.47 2e5o n PHE 99 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2e5o n PRO 100 N 0.68 0.17 0.22 -1.08 -0.04 0.25 -2.35 135.00 132.85 2e5o n PRO 100 Ca 0.31 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 64.29 2e5o n PRO 100 Cb 0.36 -1.84 0.36 0.00 -0.04 0.00 0.00 33.50 32.34 2e5o n PRO 100 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2e5o h ASP 101 N 0.00 0.00 0.00 3.54 3.32 -1.88 -3.17 116.42 118.23 2e5o h ASP 101 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2e5o h ASP 101 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2e5o h ASP 101 CO 0.00 0.18 -0.02 2.30 -1.72 0.00 0.00 179.24 179.97 2e5o n ILE 102 N -3.23 1.34 0.29 0.35 -5.35 -0.99 -4.72 119.36 107.05 2e5o n ILE 102 Ca 0.01 -1.52 0.18 0.00 -0.27 0.00 0.00 62.75 61.15 2e5o n ILE 102 Cb 0.48 0.16 0.91 0.00 -1.74 0.00 0.00 39.64 39.46 2e5o n ILE 102 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2e5o h SER 103 N 0.00 0.00 0.24 7.28 4.64 -1.44 0.29 113.55 124.56 2e5o h SER 103 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 2e5o h SER 103 Cb 0.81 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.84 2e5o h SER 103 CO 0.00 0.00 -2.05 0.00 -0.87 0.00 0.00 176.83 173.91 2e5o n GLN 104 N -3.22 0.66 -0.10 4.77 -0.00 -1.26 -4.18 117.38 114.05 2e5o n GLN 104 Ca -0.01 0.15 0.27 0.00 -0.00 0.00 0.00 57.00 57.41 2e5o n GLN 104 Cb 0.31 -1.66 0.65 0.00 -0.00 0.00 0.00 30.24 29.55 2e5o n GLN 104 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2e5o h GLU 105 N 0.00 0.00 -4.32 2.61 5.08 -1.25 -3.38 114.58 113.32 2e5o h GLU 105 Ca -0.42 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.63 2e5o h GLU 105 Cb 2.12 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 31.10 2e5o h GLU 105 CO 0.05 0.00 -0.75 -1.12 -1.00 0.00 0.00 179.01 176.19 2e5o s SER 106 N -4.62 0.62 -0.16 1.42 0.01 -1.23 -4.92 113.70 104.81 2e5o s SER 106 Ca -0.04 -0.18 0.04 0.00 1.31 0.00 0.00 55.95 57.09 2e5o s SER 106 Cb 0.17 -0.04 -0.13 0.00 0.21 0.00 0.00 66.02 66.23 2e5o s SER 106 CO 0.58 0.01 -0.09 -0.67 0.41 0.00 0.00 173.24 173.47 2e5o n ASP 107 N 2.67 2.42 -4.03 2.44 -0.08 -1.26 -4.89 116.55 113.82 2e5o n ASP 107 Ca -0.15 -0.07 -0.36 0.00 -1.51 0.00 0.00 54.79 52.71 2e5o n ASP 107 Cb 0.58 0.04 0.05 0.00 2.34 0.00 0.00 41.12 44.12 2e5o n ASP 107 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2e5o n SER 108 N -2.85 -5.40 -0.08 1.67 7.64 -1.26 -4.88 113.62 108.45 2e5o n SER 108 Ca -0.28 0.16 -0.13 0.00 1.01 0.00 0.00 58.87 59.64 2e5o n SER 108 Cb 0.85 -0.76 -0.05 0.00 -1.01 0.00 0.00 64.21 63.24 2e5o n SER 108 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2e5o h PRO 109 N -1.05 0.61 -4.45 1.43 0.13 -1.93 -3.40 132.00 123.34 2e5o h PRO 109 Ca -0.43 -0.32 -0.71 0.00 -0.87 0.00 0.00 66.00 63.67 2e5o h PRO 109 Cb 1.31 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 32.14 2e5o h PRO 109 CO 0.24 0.92 -0.50 -0.06 -0.23 0.00 0.00 178.00 178.37 2e5o s PHE 110 N -4.34 3.46 0.00 1.56 0.08 -1.00 -0.36 117.98 117.39 2e5o s PHE 110 Ca -0.13 -2.02 -0.22 0.00 0.12 0.00 0.00 56.93 54.68 2e5o s PHE 110 Cb 0.08 -3.15 -0.05 0.00 -0.57 0.00 0.00 43.02 39.33 2e5o s PHE 110 CO 0.81 -0.94 0.67 0.08 -0.10 0.00 0.00 175.22 175.74 2e5o s VAL 111 N 1.28 4.87 -0.40 -0.44 1.01 0.36 -3.04 120.40 124.03 2e5o s VAL 111 Ca 0.05 1.41 -0.14 0.00 0.00 0.00 0.00 61.98 63.30 2e5o s VAL 111 Cb -0.23 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.16 2e5o s VAL 111 CO -0.02 0.37 0.27 -0.36 0.00 0.00 0.00 175.10 175.37 2e5o s PHE 112 N 0.01 3.24 -0.18 5.22 0.08 -0.11 -0.54 117.98 125.70 2e5o s PHE 112 Ca 0.35 -0.71 -0.29 0.00 0.12 0.00 0.00 56.93 56.40 2e5o s PHE 112 Cb -0.19 -2.55 -0.01 0.00 -0.57 0.00 0.00 43.02 39.70 2e5o s PHE 112 CO 0.19 -0.61 1.18 0.42 -0.10 0.00 0.00 175.22 176.30 2e5o s ILE 113 N 1.64 4.42 0.14 0.64 1.01 0.24 -0.98 121.20 128.32 2e5o s ILE 113 Ca 0.04 1.72 0.09 0.00 0.00 0.00 0.00 60.65 62.50 2e5o s ILE 113 Cb -0.19 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 2e5o s ILE 113 CO 0.09 -0.14 -0.21 0.00 0.00 0.00 0.00 174.94 174.68 2e5o s LYS 115 N -2.36 1.62 -1.20 0.00 -0.14 0.13 -4.61 119.74 113.18 2e5o s LYS 115 Ca 0.13 -1.86 -0.03 0.00 -1.36 0.00 0.00 55.97 52.85 2e5o s LYS 115 Cb -0.08 0.33 -0.02 0.00 -1.68 0.00 0.00 37.83 36.38 2e5o s LYS 115 CO 0.06 -0.59 0.88 0.09 -0.76 0.00 0.00 175.35 175.02 2e5o n ASN 116 N -1.15 -2.98 -4.61 2.83 3.02 -1.26 0.08 115.26 111.19 2e5o n ASN 116 Ca 0.05 -0.73 -0.43 0.00 -0.03 0.00 0.00 54.58 53.44 2e5o n ASN 116 Cb 0.63 -4.70 -0.03 0.00 -0.61 0.00 0.00 39.78 35.07 2e5o n ASN 116 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2e5o s PRO 117 N -5.38 3.60 -0.06 3.52 0.04 -1.26 -4.46 135.00 130.99 2e5o s PRO 117 Ca 0.13 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.68 2e5o s PRO 117 Cb -0.02 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2e5o s PRO 117 CO 0.77 -1.54 -0.16 1.14 0.04 0.00 0.00 177.00 177.25 2e5o s GLN 118 N 5.07 1.89 -0.27 4.56 -2.07 -1.10 -4.67 119.66 123.07 2e5o s GLN 118 Ca 0.73 -0.55 -0.13 0.00 -1.82 0.00 0.00 55.36 53.60 2e5o s GLN 118 Cb -0.22 -1.57 -0.04 0.00 -1.09 0.00 0.00 33.01 30.09 2e5o s GLN 118 CO 0.31 0.13 0.27 -2.00 -1.32 0.00 0.00 175.29 172.69 2e5o s GLU 119 N 0.37 3.99 0.74 9.60 -6.30 -1.15 -2.00 118.70 123.94 2e5o s GLU 119 Ca -0.11 -0.15 -0.15 0.00 -2.50 0.00 0.00 54.97 52.07 2e5o s GLU 119 Cb -0.14 -3.65 0.04 0.00 0.00 0.00 0.00 34.13 30.38 2e5o s GLU 119 CO 0.04 -0.21 1.20 -1.64 0.02 0.00 0.00 175.26 174.67 2e5o s MET 120 N 1.85 2.11 0.23 4.30 -1.94 -0.44 -4.72 119.30 120.69 2e5o s MET 120 Ca 0.11 1.74 0.14 0.00 -1.71 0.00 0.00 55.69 55.97 2e5o s MET 120 Cb -0.16 -1.83 0.00 0.00 2.01 0.00 0.00 34.83 34.85 2e5o s MET 120 CO 0.10 -1.85 1.33 0.28 -0.01 0.00 0.00 175.02 174.87 2e5o h VAL 121 N -0.35 0.91 -4.01 -6.03 2.07 -0.79 -3.46 116.25 104.59 2e5o h VAL 121 Ca -0.47 -2.33 -0.66 0.00 0.82 0.00 0.00 66.70 64.06 2e5o h VAL 121 Cb 1.29 2.42 -0.23 0.00 -1.52 0.00 0.00 31.29 33.25 2e5o h VAL 121 CO 0.49 0.52 -0.86 0.54 0.02 0.00 0.00 177.57 178.28 2e5o s VAL 122 N -2.92 2.12 -0.00 2.57 0.11 -1.26 -5.12 120.40 115.88 2e5o s VAL 122 Ca 0.03 -1.62 0.06 0.00 -2.93 0.00 0.00 61.98 57.51 2e5o s VAL 122 Cb 0.08 -1.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.04 2e5o s VAL 122 CO 0.76 0.13 -0.18 -0.54 -3.33 0.00 0.00 175.10 171.95 2e5o s LYS 123 N -1.82 2.26 -0.02 1.54 -0.14 -1.26 -4.88 119.74 115.41 2e5o s LYS 123 Ca 0.12 -0.86 0.04 0.00 -1.36 0.00 0.00 55.97 53.92 2e5o s LYS 123 Cb -0.10 -2.25 -0.03 0.00 -1.68 0.00 0.00 37.83 33.78 2e5o s LYS 123 CO 0.05 0.58 -0.14 -0.06 -0.76 0.00 0.00 175.35 175.01 2e5o s PHE 124 N -0.80 2.70 -0.89 3.18 0.08 -1.26 -4.90 117.98 116.09 2e5o s PHE 124 Ca 0.13 -0.16 -0.25 0.00 0.12 0.00 0.00 56.93 56.77 2e5o s PHE 124 Cb -0.10 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.71 2e5o s PHE 124 CO 0.02 0.23 1.94 -1.25 -0.10 0.00 0.00 175.22 176.06 2e5o s PRO 125 N -0.97 2.56 0.32 0.24 0.04 -1.26 -2.43 135.00 133.49 2e5o s PRO 125 Ca 0.13 -0.24 0.06 0.00 0.04 0.00 0.00 61.00 60.98 2e5o s PRO 125 Cb -0.11 -5.03 -0.06 0.00 0.04 0.00 0.00 34.50 29.34 2e5o s PRO 125 CO 0.02 -3.34 -0.01 0.96 0.04 0.00 0.00 177.00 174.68 2e5o s ILE 126 N 10.02 1.55 -0.03 0.56 -5.25 -1.09 -4.99 121.20 121.97 2e5o s ILE 126 Ca 0.70 -2.06 0.02 0.00 -0.99 0.00 0.00 60.65 58.32 2e5o s ILE 126 Cb -0.07 -2.66 -0.03 0.00 2.95 0.00 0.00 42.46 42.64 2e5o s ILE 126 CO 0.00 -0.14 -0.05 -0.54 -1.79 0.00 0.00 174.94 172.41 2e5o s LYS 127 N -3.78 2.67 0.51 0.37 1.02 -1.26 -3.60 119.74 115.67 2e5o s LYS 127 Ca 0.33 -0.63 0.08 0.00 0.02 0.00 0.00 55.97 55.77 2e5o s LYS 127 Cb 0.06 -2.57 0.05 0.00 -0.52 0.00 0.00 37.83 34.85 2e5o s LYS 127 CO 0.14 0.63 0.63 0.20 -0.92 0.00 0.00 175.35 176.03 2e5o s GLY 128 N -1.20 1.92 0.17 -3.33 0.00 -1.26 -4.99 107.32 98.62 2e5o s GLY 128 Ca 0.16 -1.87 -0.18 0.00 0.00 0.00 0.00 44.72 42.82 2e5o s GLY 128 CO 0.05 -1.66 0.50 -1.31 0.00 0.00 0.00 173.10 170.68 2e5o s ASN 129 N -4.46 -0.31 0.00 1.64 0.01 -1.26 -4.96 114.94 105.60 2e5o s ASN 129 Ca 0.55 -0.33 0.12 0.00 -0.71 0.00 0.00 52.86 52.48 2e5o s ASN 129 Cb -0.06 0.55 0.71 0.00 0.41 0.00 0.00 41.25 42.86 2e5o s ASN 129 CO 0.34 -0.97 1.14 -0.81 -1.51 0.00 0.00 177.10 175.29 2e5o n PRO 130 N -0.31 0.49 -3.15 -0.60 -0.04 -1.26 -4.18 135.00 125.94 2e5o n PRO 130 Ca -0.13 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.23 2e5o n PRO 130 Cb 0.63 -1.38 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 2e5o n PRO 130 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2e5o n LYS 131 N -0.88 0.21 -2.94 0.54 4.76 -1.26 -4.98 118.16 113.60 2e5o n LYS 131 Ca 0.09 -1.72 -0.38 0.00 -2.87 0.00 0.00 58.31 53.43 2e5o n LYS 131 Cb 0.04 1.41 -0.06 0.00 -1.84 0.00 0.00 35.03 34.58 2e5o n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2e5o s ILE 132 N -2.69 4.35 -0.11 -0.18 1.01 -1.26 -4.51 121.20 117.79 2e5o s ILE 132 Ca 0.21 1.68 -0.06 0.00 0.00 0.00 0.00 60.65 62.48 2e5o s ILE 132 Cb 0.01 -4.07 0.05 0.00 0.01 0.00 0.00 42.46 38.46 2e5o s ILE 132 CO 0.15 0.37 0.27 -1.66 0.00 0.00 0.00 174.94 174.06 2e5o s TRP 133 N -1.33 -0.37 0.17 3.97 1.48 -1.11 -5.04 118.94 116.72 2e5o s TRP 133 Ca 0.41 0.86 -0.32 0.00 -1.06 0.00 0.00 56.10 55.99 2e5o s TRP 133 Cb -0.21 0.07 -0.12 0.00 -1.16 0.00 0.00 33.47 32.05 2e5o s TRP 133 CO 0.25 -0.25 1.72 1.17 -4.06 0.00 0.00 176.95 175.78 2e5o n LYS 134 N 4.30 2.63 -0.38 3.25 4.81 -1.26 -3.07 118.16 128.44 2e5o n LYS 134 Ca -0.24 0.95 -0.24 0.00 -0.87 0.00 0.00 58.31 57.91 2e5o n LYS 134 Cb 0.53 -2.79 0.22 0.00 0.02 0.00 0.00 35.03 33.01 2e5o n LYS 134 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2e5o n LEU 135 N 4.24 0.00 -4.70 3.14 4.77 -1.25 -4.94 117.00 118.26 2e5o n LEU 135 Ca 0.17 -0.75 -0.39 0.00 -0.03 0.00 0.00 56.01 55.01 2e5o n LEU 135 Cb 0.34 -0.78 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 2e5o n LEU 135 CO 0.64 -2.34 0.25 -0.62 -1.33 0.00 0.00 177.39 173.99 2e5o s ASP 136 N -3.16 6.72 0.29 -1.43 2.15 -1.26 -4.90 116.67 115.08 2e5o s ASP 136 Ca 0.53 0.86 0.14 0.00 0.43 0.00 0.00 52.55 54.51 2e5o s ASP 136 Cb -0.08 -2.32 1.01 0.00 -0.30 0.00 0.00 42.92 41.24 2e5o s ASP 136 CO 0.43 -0.08 1.28 -1.20 -0.17 0.00 0.00 175.17 175.43 2e5o n SER 137 N 4.05 0.22 -0.04 -0.34 7.64 -1.26 0.25 113.62 124.14 2e5o n SER 137 Ca -0.05 1.35 -0.17 0.00 1.01 0.00 0.00 58.87 61.02 2e5o n SER 137 Cb 0.51 -0.63 -0.07 0.00 -1.01 0.00 0.00 64.21 63.01 2e5o n SER 137 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2e5o h LYS 138 N 0.00 0.77 -0.36 1.43 1.79 -2.02 -3.27 116.57 114.91 2e5o h LYS 138 Ca 0.66 -0.60 -0.05 0.00 -2.18 0.00 0.00 60.65 58.48 2e5o h LYS 138 Cb 1.68 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 32.43 2e5o h LYS 138 CO -0.65 1.21 0.03 0.82 -1.08 0.00 0.00 179.45 179.78 2e5o h ILE 139 N 0.50 1.25 -0.72 1.86 1.08 0.30 -3.09 117.51 118.68 2e5o h ILE 139 Ca -0.04 -0.91 0.06 0.00 -0.39 0.00 0.00 64.86 63.58 2e5o h ILE 139 Cb 1.31 1.14 -0.09 0.00 -3.07 0.00 0.00 36.82 36.12 2e5o h ILE 139 CO 0.14 0.31 -0.42 1.57 -0.69 0.00 0.00 178.15 179.05 2e5o n HIS 140 N -4.53 -0.32 0.00 1.37 -0.00 0.10 -0.34 115.22 111.51 2e5o n HIS 140 Ca -0.01 0.90 -0.00 0.00 0.46 0.00 0.00 57.72 59.06 2e5o n HIS 140 Cb 0.25 -0.56 -0.00 0.00 -0.12 0.00 0.00 29.99 29.56 2e5o n HIS 140 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 2e5o h GLN 141 N 0.00 -0.01 -0.78 1.57 1.08 -1.66 -2.39 115.11 112.92 2e5o h GLN 141 Ca 0.12 0.00 0.28 0.00 -1.45 0.00 0.00 58.65 57.60 2e5o h GLN 141 Cb 0.29 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.59 2e5o h GLN 141 CO -0.68 -0.01 0.26 0.41 -0.95 0.00 0.00 178.83 177.86 2e5o n GLY 142 N -1.01 -0.78 0.17 3.46 0.00 -1.01 0.17 105.19 106.20 2e5o n GLY 142 Ca -0.00 0.68 -0.09 0.00 0.00 0.00 0.00 46.02 46.62 2e5o n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e5o h ALA 143 N 1.56 0.47 0.00 4.61 0.00 -0.31 0.18 119.26 125.77 2e5o h ALA 143 Ca 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 2e5o h ALA 143 Cb 1.43 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2e5o h ALA 143 CO -0.65 -0.04 -0.04 0.87 0.00 0.00 0.00 179.25 179.39 2e5o h LYS 144 N 0.48 0.00 0.13 0.00 1.57 0.23 -2.61 116.57 116.36 2e5o h LYS 144 Ca 0.13 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.61 2e5o h LYS 144 Cb -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2e5o h LYS 144 CO -0.03 0.04 -1.54 0.87 -0.57 0.00 0.00 179.45 178.23 2e5o h LYS 145 N 0.00 0.26 0.00 3.15 1.79 -0.61 -3.32 116.57 117.84 2e5o h LYS 145 Ca -0.00 -0.45 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2e5o h LYS 145 Cb 0.13 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2e5o h LYS 145 CO 0.01 1.22 0.34 0.78 -1.08 0.00 0.00 179.45 180.71 2e5o h GLY 146 N 0.26 0.00 -2.60 3.86 0.00 -0.27 -1.58 103.07 102.74 2e5o h GLY 146 Ca -0.33 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 2e5o h GLY 146 CO 0.07 0.00 0.08 1.04 0.00 0.00 0.00 176.54 177.74 2e5o n LEU 147 N -2.08 4.35 -4.42 3.11 4.77 -1.21 -0.12 117.00 121.40 2e5o n LEU 147 Ca -0.01 -2.11 -0.31 0.00 -0.03 0.00 0.00 56.01 53.55 2e5o n LEU 147 Cb 0.36 -0.78 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 2e5o n LEU 147 CO 0.06 0.77 -0.51 0.00 -1.33 0.00 0.00 177.39 176.38 2e5o s MET 148 N -0.39 2.11 -1.43 3.23 0.23 -0.60 -4.67 119.30 117.78 2e5o s MET 148 Ca 0.07 -0.94 -0.09 0.00 -1.03 0.00 0.00 55.69 53.69 2e5o s MET 148 Cb 0.06 -2.16 0.05 0.00 -1.53 0.00 0.00 34.83 31.24 2e5o s MET 148 CO 0.01 0.55 0.97 1.17 -2.03 0.00 0.00 175.02 175.69 2e5o n LYS 149 N 1.87 -6.03 -0.58 3.16 4.81 -1.26 -4.66 118.16 115.47 2e5o n LYS 149 Ca -0.16 0.67 -0.24 0.00 -0.87 0.00 0.00 58.31 57.71 2e5o n LYS 149 Cb 0.52 -5.54 0.16 0.00 0.02 0.00 0.00 35.03 30.19 2e5o n LYS 149 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2e5o n GLN 150 N -4.64 -2.06 -1.46 1.64 1.13 -1.26 -4.73 117.38 105.99 2e5o n GLN 150 Ca -0.06 -0.60 -0.54 0.00 -1.94 0.00 0.00 57.00 53.86 2e5o n GLN 150 Cb 0.57 -1.53 -0.06 0.00 0.11 0.00 0.00 30.24 29.34 2e5o n GLN 150 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2e5o n ASN 151 N -1.32 -0.51 -0.19 1.08 3.02 -1.26 -4.75 115.26 111.34 2e5o n ASN 151 Ca 0.04 1.15 0.29 0.00 -0.03 0.00 0.00 54.58 56.03 2e5o n ASN 151 Cb 0.46 -0.95 0.73 0.00 -0.61 0.00 0.00 39.78 39.41 2e5o n ASN 151 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2e5o h LYS 152 N 2.11 0.00 0.24 3.52 6.56 -2.03 -2.40 116.57 124.57 2e5o h LYS 152 Ca -0.40 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.18 2e5o h LYS 152 Cb 1.43 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.09 2e5o h LYS 152 CO 0.62 0.00 -0.12 0.00 -2.06 0.00 0.00 179.45 177.89 2e5o h ALA 153 N 1.49 -0.98 0.00 3.86 0.00 -2.00 -3.55 119.26 118.08 2e5o h ALA 153 Ca 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2e5o h ALA 153 Cb 1.81 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2e5o h ALA 153 CO -0.00 -0.96 0.00 1.55 0.00 0.00 0.00 179.25 179.84