#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5o s SER 2 N 0.00 5.93 0.03 1.61 0.01 -1.26 -5.04 113.70 114.98 2e5o s SER 2 Ca 0.00 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.78 2e5o s SER 2 Cb 0.00 -1.33 -0.08 0.00 0.21 0.00 0.00 66.02 64.81 2e5o s SER 2 CO 0.00 -0.33 1.85 -0.44 0.41 0.00 0.00 173.24 174.73 2e5o s SER 3 N -4.10 6.51 0.00 2.44 0.01 -1.26 -4.47 113.70 112.84 2e5o s SER 3 Ca 0.42 2.57 0.00 0.00 1.31 0.00 0.00 55.95 60.24 2e5o s SER 3 Cb -0.09 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2e5o s SER 3 CO 0.30 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2e5o n GLY 4 N 4.36 -2.14 3.60 3.44 0.00 -1.26 -5.03 105.19 108.16 2e5o n GLY 4 Ca 0.19 0.73 -0.23 0.00 0.00 0.00 0.00 46.02 46.71 2e5o n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e5o n SER 5 N 0.00 -4.58 -4.83 1.61 7.64 -1.26 -4.98 113.62 107.22 2e5o n SER 5 Ca 0.00 -0.62 -0.30 0.00 1.01 0.00 0.00 58.87 58.97 2e5o n SER 5 Cb 0.00 -4.84 0.08 0.00 -1.01 0.00 0.00 64.21 58.44 2e5o n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2e5o s SER 6 N -3.69 4.68 -0.67 6.43 0.01 -1.26 -4.97 113.70 114.23 2e5o s SER 6 Ca 0.39 1.23 -0.27 0.00 1.31 0.00 0.00 55.95 58.61 2e5o s SER 6 Cb -0.18 -1.96 0.03 0.00 0.21 0.00 0.00 66.02 64.12 2e5o s SER 6 CO 0.75 -1.84 1.22 -0.83 0.41 0.00 0.00 173.24 172.94 2e5o s GLY 7 N -4.04 1.02 0.37 3.44 0.00 -1.26 -4.91 107.32 101.94 2e5o s GLY 7 Ca 0.60 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 44.12 2e5o s GLY 7 CO 0.53 2.54 0.57 -0.98 0.00 0.00 0.00 173.10 175.76 2e5o s TRP 8 N 5.29 3.37 -0.00 1.90 0.52 -1.26 -3.10 118.94 125.66 2e5o s TRP 8 Ca 0.37 0.23 0.01 0.00 0.02 0.00 0.00 56.10 56.72 2e5o s TRP 8 Cb -0.09 -2.02 -0.00 0.00 -1.15 0.00 0.00 33.47 30.21 2e5o s TRP 8 CO 0.18 -0.03 -0.04 0.00 0.02 0.00 0.00 176.95 177.09 2e5o s LEU 10 N -0.12 2.93 0.27 0.00 2.96 0.16 -3.33 118.68 121.56 2e5o s LEU 10 Ca 0.01 -1.32 -0.29 0.00 -0.22 0.00 0.00 54.13 52.31 2e5o s LEU 10 Cb -0.02 -1.29 -0.10 0.00 0.50 0.00 0.00 46.19 45.29 2e5o s LEU 10 CO -0.00 -0.24 1.33 -0.94 -1.32 0.00 0.00 176.35 175.18 2e5o s SER 11 N 1.30 6.80 0.29 3.68 1.04 -1.26 -3.15 113.70 122.39 2e5o s SER 11 Ca -0.05 2.59 0.11 0.00 0.48 0.00 0.00 55.95 59.07 2e5o s SER 11 Cb -0.19 -2.63 -0.05 0.00 0.10 0.00 0.00 66.02 63.24 2e5o s SER 11 CO -0.07 -0.56 -0.16 -0.69 0.98 0.00 0.00 173.24 172.74 2e5o s VAL 12 N -0.50 2.29 -0.40 5.02 1.01 0.85 -4.81 120.40 123.85 2e5o s VAL 12 Ca 0.54 -2.32 -0.17 0.00 0.00 0.00 0.00 61.98 60.02 2e5o s VAL 12 Cb -0.39 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.64 2e5o s VAL 12 CO 0.46 -0.37 0.45 -1.00 0.00 0.00 0.00 175.10 174.64 2e5o s HIS 13 N -2.62 3.17 0.87 5.22 3.76 -1.26 -0.78 115.29 123.64 2e5o s HIS 13 Ca 0.30 -0.20 -0.13 0.00 -0.15 0.00 0.00 55.06 54.88 2e5o s HIS 13 Cb -0.02 -2.89 0.07 0.00 1.11 0.00 0.00 32.58 30.84 2e5o s HIS 13 CO 0.14 -0.64 0.85 1.04 -0.85 0.00 0.00 174.74 175.28 2e5o n GLN 14 N 5.63 -0.10 0.08 1.40 1.13 -1.26 -2.95 117.38 121.30 2e5o n GLN 14 Ca -0.07 0.03 -0.04 0.00 -1.94 0.00 0.00 57.00 54.99 2e5o n GLN 14 Cb 0.48 -2.16 0.18 0.00 0.11 0.00 0.00 30.24 28.85 2e5o n GLN 14 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2e5o h PRO 15 N -1.27 0.29 -0.25 -1.09 0.13 -1.93 -3.38 132.00 124.50 2e5o h PRO 15 Ca -0.44 -0.15 0.04 0.00 -0.87 0.00 0.00 66.00 64.57 2e5o h PRO 15 Cb 1.29 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 2e5o h PRO 15 CO 0.41 0.69 -0.10 0.91 -0.23 0.00 0.00 178.00 179.68 2e5o n TRP 16 N -3.99 0.00 -0.32 1.56 8.01 -1.15 0.17 117.44 121.72 2e5o n TRP 16 Ca -0.02 0.31 -0.02 0.00 -1.31 0.00 0.00 57.50 56.46 2e5o n TRP 16 Cb 0.52 -0.59 0.02 0.00 -2.01 0.00 0.00 31.31 29.25 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 -3.87 -0.14 -0.04 6.99 0.00 -1.16 -0.22 120.51 122.07 2e5o n ALA 17 Ca 0.02 0.82 -0.13 0.00 0.00 0.00 0.00 53.44 54.15 2e5o n ALA 17 Cb 0.10 -0.35 -0.08 0.00 0.00 0.00 0.00 19.45 19.11 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 0.22 -1.21 0.00 0.02 0.14 -3.03 113.55 109.69 2e5o h SER 18 Ca 0.28 -0.50 0.35 0.00 -0.84 0.00 0.00 61.79 61.08 2e5o h SER 18 Cb 0.49 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 2e5o h SER 18 CO -0.82 0.67 1.00 -0.07 -1.14 0.00 0.00 176.83 176.47 2e5o h LEU 19 N -0.23 0.00 0.25 5.07 3.38 -0.18 0.29 115.31 123.89 2e5o h LEU 19 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2e5o h LEU 19 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2e5o h LEU 19 CO 0.02 0.00 -0.12 -0.07 0.09 0.00 0.00 178.44 178.36 2e5o h LEU 20 N 0.00 -0.29 -0.96 1.67 4.07 -0.93 0.35 115.31 119.23 2e5o h LEU 20 Ca 0.58 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.55 2e5o h LEU 20 Cb 2.57 0.07 0.00 0.00 1.08 0.00 0.00 40.66 44.38 2e5o h LEU 20 CO -0.01 -0.12 0.00 1.33 -1.08 0.00 0.00 178.44 178.56 2e5o n VAL 21 N -3.37 1.01 0.11 1.22 0.24 -0.51 -2.04 118.33 115.00 2e5o n VAL 21 Ca -0.04 0.48 -0.22 0.00 -2.04 0.00 0.00 64.34 62.52 2e5o n VAL 21 Cb 0.13 -1.44 -0.14 0.00 -1.47 0.00 0.00 33.84 30.93 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 0.55 0.00 7.34 2.47 -0.46 -3.08 114.38 121.21 2e5o h ARG 22 Ca 0.00 -0.80 0.00 0.00 -1.26 0.00 0.00 59.98 57.92 2e5o h ARG 22 Cb 0.17 0.28 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 2e5o h ARG 22 CO 0.00 1.37 0.00 0.41 0.56 0.00 0.00 179.97 182.31 2e5o n GLY 23 N 1.48 1.54 0.13 0.04 0.00 -0.80 -4.95 105.19 102.62 2e5o n GLY 23 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 2e5o n GLY 23 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2e5o n ILE 24 N 0.00 1.54 -3.04 -0.61 -0.00 0.11 -4.88 119.36 112.48 2e5o n ILE 24 Ca 0.00 -0.37 -0.42 0.00 -0.00 0.00 0.00 62.75 61.97 2e5o n ILE 24 Cb 0.00 -1.82 -0.06 0.00 -0.00 0.00 0.00 39.64 37.76 2e5o n ILE 24 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 2e5o s LYS 25 N -2.49 3.88 0.00 0.38 2.47 -0.15 -4.90 119.74 118.93 2e5o s LYS 25 Ca -0.35 0.37 0.21 0.00 -1.56 0.00 0.00 55.97 54.64 2e5o s LYS 25 Cb 0.12 -3.75 0.13 0.00 -1.46 0.00 0.00 37.83 32.87 2e5o s LYS 25 CO 0.55 -0.66 1.14 -2.13 0.16 0.00 0.00 175.35 174.41 2e5o n ARG 26 N 6.07 1.86 -3.97 4.03 0.63 -1.26 -4.44 116.66 119.57 2e5o n ARG 26 Ca 0.01 -1.59 -0.09 0.00 -0.92 0.00 0.00 57.85 55.26 2e5o n ARG 26 Cb 0.48 -1.41 -0.10 0.00 0.45 0.00 0.00 32.46 31.88 2e5o n ARG 26 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2e5o s VAL 27 N -1.92 0.13 0.01 5.15 -7.23 -1.26 -1.43 120.40 113.85 2e5o s VAL 27 Ca 0.23 -1.06 0.06 0.00 -1.81 0.00 0.00 61.98 59.40 2e5o s VAL 27 Cb 0.18 -0.62 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 2e5o s VAL 27 CO 0.33 -0.58 -0.18 -0.70 -0.31 0.00 0.00 175.10 173.66 2e5o s GLU 28 N -2.09 2.20 -0.19 4.82 2.56 -0.21 -4.94 118.70 120.85 2e5o s GLU 28 Ca -0.10 -0.89 -0.11 0.00 0.00 0.00 0.00 54.97 53.87 2e5o s GLU 28 Cb -0.05 -2.23 -0.05 0.00 2.00 0.00 0.00 34.13 33.80 2e5o s GLU 28 CO -0.03 0.57 0.19 0.20 -0.56 0.00 0.00 175.26 175.63 2e5o s GLY 29 N -1.15 2.09 -0.17 -1.50 0.00 -1.26 -0.87 107.32 104.46 2e5o s GLY 29 Ca 0.13 -0.62 -0.16 0.00 0.00 0.00 0.00 44.72 44.07 2e5o s GLY 29 CO 0.03 0.28 0.47 0.50 0.00 0.00 0.00 173.10 174.38 2e5o s ARG 30 N 0.48 0.55 -0.02 2.90 1.81 -1.22 -5.00 118.95 118.46 2e5o s ARG 30 Ca 0.11 0.63 0.02 0.00 -1.72 0.00 0.00 55.73 54.77 2e5o s ARG 30 Cb -0.12 0.27 0.11 0.00 -0.45 0.00 0.00 34.95 34.76 2e5o s ARG 30 CO 0.01 -0.07 0.81 -1.13 -0.68 0.00 0.00 175.30 174.24 2e5o n SER 31 N 2.78 1.29 -4.18 0.23 3.41 -1.26 -2.70 113.62 113.20 2e5o n SER 31 Ca -0.13 -2.09 -0.11 0.00 -0.26 0.00 0.00 58.87 56.28 2e5o n SER 31 Cb 0.57 -0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.46 0.99 0.06 7.33 1.48 -1.26 -4.86 118.94 121.21 2e5o s TRP 32 Ca 0.07 -1.24 0.03 0.00 -1.06 0.00 0.00 56.10 53.90 2e5o s TRP 32 Cb 0.05 -0.53 -0.04 0.00 -1.16 0.00 0.00 33.47 31.79 2e5o s TRP 32 CO 0.03 -0.51 0.05 -0.47 -4.06 0.00 0.00 176.95 171.99 2e5o s TYR 33 N -4.02 3.14 -0.22 1.66 6.14 -1.26 -4.52 117.35 118.26 2e5o s TYR 33 Ca 0.28 0.07 -0.04 0.00 0.64 0.00 0.00 57.07 58.03 2e5o s TYR 33 Cb 0.07 -1.63 0.10 0.00 0.42 0.00 0.00 41.96 40.92 2e5o s TYR 33 CO 0.05 0.51 0.20 -0.08 0.64 0.00 0.00 175.55 176.86 2e5o s THR 34 N -1.29 -0.27 -2.00 4.34 -1.32 -1.26 -5.00 115.64 108.85 2e5o s THR 34 Ca 0.26 -0.27 0.11 0.00 -1.21 0.00 0.00 61.69 60.58 2e5o s THR 34 Cb -0.12 -0.75 0.32 0.00 -1.51 0.00 0.00 72.50 70.44 2e5o s THR 34 CO 0.18 -0.33 1.10 -0.81 -2.21 0.00 0.00 174.62 172.55 2e5o n PRO 35 N 5.30 0.48 -1.92 7.08 -0.04 -1.26 -4.74 135.00 139.91 2e5o n PRO 35 Ca -0.05 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.98 2e5o n PRO 35 Cb 0.48 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 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 1.77 -0.15 0.54 5.65 -1.26 -4.98 115.29 114.86 2e5o s HIS 36 Ca 0.17 0.16 0.01 0.00 0.25 0.00 0.00 55.06 55.64 2e5o s HIS 36 Cb 0.08 -4.01 0.02 0.00 -1.18 0.00 0.00 32.58 27.49 2e5o s HIS 36 CO 0.13 -4.06 -0.16 1.03 -0.65 0.00 0.00 174.74 171.04 2e5o s ARG 37 N 4.50 2.45 0.00 2.88 1.81 -1.26 -4.88 118.95 124.45 2e5o s ARG 37 Ca 0.79 -0.62 0.00 0.00 -1.72 0.00 0.00 55.73 54.18 2e5o s ARG 37 Cb -0.33 -2.19 0.00 0.00 -0.45 0.00 0.00 34.95 31.97 2e5o s ARG 37 CO 0.33 -0.22 0.00 0.41 -0.68 0.00 0.00 175.30 175.14 2e5o n GLY 38 N 4.69 -0.17 3.88 -3.53 0.00 -0.99 -4.99 105.19 104.08 2e5o n GLY 38 Ca -0.18 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 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 3.47 -0.21 1.61 3.52 -1.26 -0.42 118.95 125.66 2e5o s ARG 39 Ca 0.00 -0.12 -0.04 0.00 -0.13 0.00 0.00 55.73 55.44 2e5o s ARG 39 Cb 0.00 -3.18 0.09 0.00 -1.56 0.00 0.00 34.95 30.31 2e5o s ARG 39 CO 0.00 0.76 0.21 -1.17 -0.81 0.00 0.00 175.30 174.29 2e5o s LEU 40 N -1.15 -0.06 0.01 -0.88 2.96 -0.51 -4.24 118.68 114.81 2e5o s LEU 40 Ca 0.17 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.45 2e5o s LEU 40 Cb -0.12 0.32 -0.05 0.00 0.50 0.00 0.00 46.19 46.83 2e5o s LEU 40 CO 0.06 -0.34 1.35 0.26 -1.32 0.00 0.00 176.35 176.36 2e5o s TRP 41 N 2.31 3.01 -0.17 5.38 0.52 0.81 0.05 118.94 130.84 2e5o s TRP 41 Ca 0.07 0.94 -0.14 0.00 0.02 0.00 0.00 56.10 57.00 2e5o s TRP 41 Cb -0.16 -3.60 -0.05 0.00 -1.15 0.00 0.00 33.47 28.52 2e5o s TRP 41 CO -0.14 -2.14 0.29 0.42 0.02 0.00 0.00 176.95 175.40 2e5o s ILE 42 N 2.10 5.30 0.10 2.03 -1.09 0.50 0.40 121.20 130.55 2e5o s ILE 42 Ca 0.62 0.53 0.07 0.00 -2.23 0.00 0.00 60.65 59.64 2e5o s ILE 42 Cb -0.31 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 36.91 2e5o s ILE 42 CO 0.26 0.37 -0.19 0.00 -1.23 0.00 0.00 174.94 174.16 2e5o s ALA 43 N 0.59 1.65 -0.12 9.38 0.00 -1.19 -1.97 121.76 130.09 2e5o s ALA 43 Ca 0.16 -1.21 -0.24 0.00 0.00 0.00 0.00 51.96 50.67 2e5o s ALA 43 Cb -0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 2e5o s ALA 43 CO 0.04 0.29 0.77 0.00 0.00 0.00 0.00 175.76 176.87 2e5o s ALA 44 N -1.29 3.43 1.20 0.00 0.00 -0.59 -0.11 121.76 124.39 2e5o s ALA 44 Ca 0.05 0.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.92 2e5o s ALA 44 Cb -0.09 -3.11 0.29 0.00 0.00 0.00 0.00 23.12 20.20 2e5o s ALA 44 CO 0.04 -0.42 1.03 0.95 0.00 0.00 0.00 175.76 177.36 2e5o s THR 45 N 1.58 1.77 0.12 0.00 -4.23 0.04 -0.08 115.64 114.83 2e5o s THR 45 Ca 0.38 0.00 0.31 0.00 -1.18 0.00 0.00 61.69 61.20 2e5o s THR 45 Cb -0.17 -2.23 0.35 0.00 1.34 0.00 0.00 72.50 71.78 2e5o s THR 45 CO 0.15 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.18 2e5o h ALA 46 N -2.65 1.02 -2.91 3.99 0.00 -1.89 -2.79 119.26 114.03 2e5o h ALA 46 Ca -0.54 -0.05 -0.54 0.00 0.00 0.00 0.00 54.91 53.78 2e5o h ALA 46 Cb 1.33 -0.01 0.12 0.00 0.00 0.00 0.00 17.79 19.23 2e5o h ALA 46 CO 0.45 0.08 0.50 0.21 0.00 0.00 0.00 179.25 180.49 2e5o s LYS 47 N -3.68 2.95 -0.13 0.00 2.20 -1.26 -4.81 119.74 115.01 2e5o s LYS 47 Ca 0.01 1.92 -0.03 0.00 -0.36 0.00 0.00 55.97 57.52 2e5o s LYS 47 Cb 0.09 -1.97 -0.03 0.00 -1.51 0.00 0.00 37.83 34.41 2e5o s LYS 47 CO 0.57 -1.25 -0.03 -1.59 -0.36 0.00 0.00 175.35 172.69 2e5o s LYS 48 N -3.26 3.37 0.07 4.03 0.00 -1.26 -4.62 119.74 118.07 2e5o s LYS 48 Ca 0.77 -0.49 -0.31 0.00 0.00 0.00 0.00 55.97 55.94 2e5o s LYS 48 Cb -0.33 -2.84 -0.07 0.00 0.00 0.00 0.00 37.83 34.59 2e5o s LYS 48 CO 0.36 0.42 1.39 -1.25 0.00 0.00 0.00 175.35 176.27 2e5o s PRO 49 N -0.13 4.31 0.67 1.78 0.04 -1.26 -4.98 135.00 135.44 2e5o s PRO 49 Ca 0.03 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 2e5o s PRO 49 Cb -0.13 -3.37 -0.00 0.00 0.04 0.00 0.00 34.50 31.04 2e5o s PRO 49 CO 0.02 -0.48 1.06 -1.12 0.04 0.00 0.00 177.00 176.52 2e5o s SER 50 N 1.40 5.50 0.00 6.66 0.01 -1.26 -4.92 113.70 121.08 2e5o s SER 50 Ca 0.64 1.64 0.15 0.00 1.31 0.00 0.00 55.95 59.69 2e5o s SER 50 Cb -0.35 -2.50 0.69 0.00 0.21 0.00 0.00 66.02 64.08 2e5o s SER 50 CO 0.29 -1.36 1.43 -0.81 0.41 0.00 0.00 173.24 173.20 2e5o n PRO 51 N -2.92 0.13 -0.07 12.44 -0.04 -1.26 -2.41 135.00 140.87 2e5o n PRO 51 Ca 0.08 0.19 -0.21 0.00 -0.04 0.00 0.00 63.50 63.51 2e5o n PRO 51 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.37 0.69 -0.14 0.54 1.13 -1.26 -3.43 117.38 113.54 2e5o n GLN 52 Ca 0.06 0.25 -0.12 0.00 -1.94 0.00 0.00 57.00 55.25 2e5o n GLN 52 Cb 0.14 -1.62 -0.01 0.00 0.11 0.00 0.00 30.24 28.85 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 -0.15 0.91 -0.02 -1.09 3.07 -1.91 0.15 114.58 115.54 2e5o h GLU 53 Ca -0.50 -0.41 -0.01 0.00 -0.50 0.00 0.00 59.36 57.94 2e5o h GLU 53 Cb 1.88 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 29.77 2e5o h GLU 53 CO -0.05 1.07 -0.01 0.28 -1.40 0.00 0.00 179.01 178.90 2e5o h VAL 54 N 0.74 1.31 -0.59 3.13 2.07 -1.68 0.33 116.25 121.55 2e5o h VAL 54 Ca 0.09 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 2e5o h VAL 54 Cb 0.81 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 2e5o h VAL 54 CO 0.07 0.25 0.17 -1.28 0.02 0.00 0.00 177.57 176.80 2e5o h SER 55 N -0.34 0.87 0.26 0.57 0.87 -1.59 0.82 113.55 115.01 2e5o h SER 55 Ca 0.00 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 2e5o h SER 55 Cb 0.41 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2e5o h SER 55 CO 0.00 0.86 -0.12 -0.33 -0.53 0.00 0.00 176.83 176.71 2e5o h GLU 56 N 0.84 -0.33 -0.68 2.24 5.08 -0.97 -3.04 114.58 117.71 2e5o h GLU 56 Ca 0.19 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 2e5o h GLU 56 Cb 0.31 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 2e5o h GLU 56 CO -0.00 0.02 0.36 -0.07 -1.00 0.00 0.00 179.01 178.32 2e5o h LEU 57 N -0.86 0.51 -0.61 1.33 3.38 -0.36 0.38 115.31 119.09 2e5o h LEU 57 Ca -0.04 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.10 2e5o h LEU 57 Cb 0.51 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 2e5o h LEU 57 CO 0.06 0.32 0.10 1.56 0.09 0.00 0.00 178.44 180.57 2e5o h GLN 58 N 0.65 0.22 0.08 1.13 4.20 -0.88 0.32 115.11 120.82 2e5o h GLN 58 Ca 0.32 -0.01 -0.26 0.00 0.06 0.00 0.00 58.65 58.75 2e5o h GLN 58 Cb 0.26 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.00 2e5o h GLN 58 CO -0.22 0.14 -1.12 0.00 -0.67 0.00 0.00 178.83 176.96 2e5o h ALA 59 N 1.51 0.18 0.13 3.87 0.00 -1.25 -2.18 119.26 121.51 2e5o h ALA 59 Ca 0.32 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2e5o h ALA 59 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2e5o h ALA 59 CO -0.44 0.82 -0.06 1.15 0.00 0.00 0.00 179.25 180.72 2e5o h THR 60 N 0.20 0.88 -0.33 0.00 2.02 0.69 -2.90 112.91 113.47 2e5o h THR 60 Ca -0.13 -0.02 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 2e5o h THR 60 Cb 1.79 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 2e5o h THR 60 CO 0.20 0.00 -0.42 1.88 0.37 0.00 0.00 175.52 177.56 2e5o h TYR 61 N -0.18 0.98 -1.08 3.16 0.05 -0.51 -2.91 116.97 116.48 2e5o h TYR 61 Ca -0.02 -0.30 0.29 0.00 0.05 0.00 0.00 58.73 58.75 2e5o h TYR 61 Cb 0.14 -0.20 -0.10 0.00 1.01 0.00 0.00 36.73 37.58 2e5o h TYR 61 CO -0.07 1.09 0.69 0.00 -1.05 0.00 0.00 178.16 178.82 2e5o h ARG 62 N 0.66 0.34 0.00 4.88 3.08 -1.23 1.05 114.38 123.15 2e5o h ARG 62 Ca 0.05 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2e5o h ARG 62 Cb 0.98 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2e5o h ARG 62 CO 0.09 0.22 -0.66 -0.07 -1.07 0.00 0.00 179.97 178.49 2e5o h LEU 63 N 0.35 0.00 0.05 3.04 3.38 -1.40 1.30 115.31 122.03 2e5o h LEU 63 Ca 0.63 -0.07 -0.26 0.00 0.09 0.00 0.00 57.88 58.27 2e5o h LEU 63 Cb 1.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 2e5o h LEU 63 CO -0.32 0.03 -1.33 -0.07 0.09 0.00 0.00 178.44 176.84 2e5o h LEU 64 N 0.00 0.16 0.00 1.67 3.38 0.11 -3.39 115.31 117.24 2e5o h LEU 64 Ca 0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2e5o h LEU 64 Cb 0.91 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2e5o h LEU 64 CO 0.00 1.18 -1.10 0.54 0.09 0.00 0.00 178.44 179.14 2e5o n ARG 65 N -3.34 2.77 0.00 1.13 5.12 0.13 -5.08 116.66 117.39 2e5o n ARG 65 Ca -0.09 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 2e5o n ARG 65 Cb 1.00 -1.04 0.00 0.00 -1.16 0.00 0.00 32.46 31.26 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 2.77 3.78 0.44 -0.13 0.00 0.37 -4.88 105.19 107.53 2e5o n GLY 66 Ca -0.02 -0.90 0.17 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 1.61 2.10 0.55 1.35 116.57 122.18 2e5o h LYS 67 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2e5o h LYS 67 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2e5o h LYS 67 CO 0.00 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.05 2e5o n ASP 68 N -3.01 0.00 -3.70 7.07 5.68 -1.26 -4.80 116.55 116.53 2e5o n ASP 68 Ca 0.12 -0.75 -0.30 0.00 -0.50 0.00 0.00 54.79 53.36 2e5o n ASP 68 Cb 1.18 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 41.44 2e5o n ASP 68 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 2e5o s VAL 69 N -2.00 1.40 0.38 2.12 -7.23 0.46 -5.06 120.40 110.48 2e5o s VAL 69 Ca 0.13 0.00 0.08 0.00 -1.81 0.00 0.00 61.98 60.38 2e5o s VAL 69 Cb 0.06 -2.08 -0.06 0.00 0.56 0.00 0.00 36.38 34.86 2e5o s VAL 69 CO 0.10 0.00 0.06 -1.61 -0.31 0.00 0.00 175.10 173.33 2e5o s GLU 70 N -4.93 2.07 -0.24 4.82 2.02 -1.26 -5.12 118.70 116.07 2e5o s GLU 70 Ca 0.69 -1.89 -0.21 0.00 0.02 0.00 0.00 54.97 53.57 2e5o s GLU 70 Cb -0.16 -1.85 0.06 0.00 0.10 0.00 0.00 34.13 32.28 2e5o s GLU 70 CO 0.60 0.01 0.63 -0.06 0.02 0.00 0.00 175.26 176.46 2e5o s PHE 71 N -2.60 -0.72 0.76 1.61 0.08 -1.26 -4.88 117.98 110.97 2e5o s PHE 71 Ca 0.37 1.72 -0.11 0.00 0.12 0.00 0.00 56.93 59.03 2e5o s PHE 71 Cb 0.04 0.27 0.05 0.00 -0.57 0.00 0.00 43.02 42.81 2e5o s PHE 71 CO 0.20 -0.35 1.09 -1.25 -0.10 0.00 0.00 175.22 174.81 2e5o s PRO 72 N 0.45 2.31 0.25 0.24 0.04 -1.26 -4.97 135.00 132.06 2e5o s PRO 72 Ca -0.01 1.20 0.17 0.00 0.04 0.00 0.00 61.00 62.40 2e5o s PRO 72 Cb -0.05 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.65 2e5o s PRO 72 CO -0.01 -1.61 1.31 -0.97 0.04 0.00 0.00 177.00 175.76 2e5o h ASN 73 N -1.00 0.00 -5.31 6.66 -1.24 -2.02 -3.47 115.58 109.20 2e5o h ASN 73 Ca -0.44 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.46 2e5o h ASN 73 Cb 1.23 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 40.20 2e5o h ASN 73 CO 0.52 0.41 -0.14 -1.81 -1.29 0.00 0.00 177.43 175.11 2e5o s ASP 74 N -6.20 0.14 -0.32 1.15 1.11 -1.26 -5.14 116.67 106.15 2e5o s ASP 74 Ca 0.03 -1.09 -0.01 0.00 0.18 0.00 0.00 52.55 51.66 2e5o s ASP 74 Cb 0.08 0.60 0.11 0.00 1.07 0.00 0.00 42.92 44.78 2e5o s ASP 74 CO 0.75 -1.18 0.12 -0.31 1.18 0.00 0.00 175.17 175.73 2e5o s TYR 75 N -3.73 1.30 0.80 4.23 1.51 -1.26 -5.06 117.35 115.13 2e5o s TYR 75 Ca 0.25 -1.56 -0.13 0.00 -1.01 0.00 0.00 57.07 54.62 2e5o s TYR 75 Cb -0.00 -1.46 0.20 0.00 -0.11 0.00 0.00 41.96 40.58 2e5o s TYR 75 CO 0.12 -0.86 0.71 -0.35 -1.11 0.00 0.00 175.55 174.06 2e5o n PRO 76 N 4.80 -2.40 -3.70 -1.71 -0.04 -1.26 -4.83 135.00 125.86 2e5o n PRO 76 Ca -0.01 -1.13 -0.11 0.00 -0.04 0.00 0.00 63.50 62.21 2e5o n PRO 76 Cb 0.41 -1.06 -0.11 0.00 -0.04 0.00 0.00 33.50 32.70 2e5o n PRO 76 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2e5o s SER 77 N -3.41 -0.47 -0.36 3.54 1.04 -1.26 -4.80 113.70 107.98 2e5o s SER 77 Ca 0.46 0.84 -0.01 0.00 0.48 0.00 0.00 55.95 57.72 2e5o s SER 77 Cb -0.05 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2e5o s SER 77 CO 0.35 -0.19 0.31 0.61 0.98 0.00 0.00 173.24 175.30 2e5o n GLY 78 N 4.28 0.37 3.34 7.32 0.00 0.89 -4.82 105.19 116.56 2e5o n GLY 78 Ca -0.23 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.19 4.07 0.00 0.00 0.20 -0.92 -1.55 118.68 119.29 2e5o s LEU 80 Ca -0.12 1.50 0.00 0.00 0.69 0.00 0.00 54.13 56.20 2e5o s LEU 80 Cb -0.03 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.19 2e5o s LEU 80 CO 0.06 -0.86 0.00 0.18 -0.29 0.00 0.00 176.35 175.44 2e5o n LEU 81 N 6.92 0.34 0.00 -0.68 4.77 -0.83 -4.11 117.00 123.40 2e5o n LEU 81 Ca 0.14 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2e5o n LEU 81 Cb 0.46 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2e5o n LEU 81 CO 0.58 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2e5o n GLY 82 N 1.96 4.90 3.30 -0.72 0.00 -0.86 -1.08 105.19 112.69 2e5o n GLY 82 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.35 -0.02 -0.40 0.00 -7.23 0.11 -2.65 120.40 106.85 2e5o s VAL 84 Ca 0.00 0.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.97 2e5o s VAL 84 Cb 0.01 -0.32 0.02 0.00 0.56 0.00 0.00 36.38 36.65 2e5o s VAL 84 CO -0.09 0.04 1.15 -0.62 -0.31 0.00 0.00 175.10 175.26 2e5o s ASP 85 N 0.73 6.73 -0.63 4.85 -1.08 0.14 -1.42 116.67 126.00 2e5o s ASP 85 Ca -0.05 0.76 -0.27 0.00 -0.52 0.00 0.00 52.55 52.47 2e5o s ASP 85 Cb -0.07 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.86 2e5o s ASP 85 CO -0.04 -1.11 1.44 -0.22 0.52 0.00 0.00 175.17 175.76 2e5o s LEU 86 N 4.22 3.31 0.00 -1.34 0.20 0.44 0.22 118.68 125.73 2e5o s LEU 86 Ca 0.49 0.06 -0.22 0.00 0.69 0.00 0.00 54.13 55.15 2e5o s LEU 86 Cb -0.10 -2.82 -0.19 0.00 -0.43 0.00 0.00 46.19 42.66 2e5o s LEU 86 CO 0.25 -1.86 1.22 0.16 -0.29 0.00 0.00 176.35 175.83 2e5o h ILE 87 N 6.35 1.42 -2.38 6.68 -2.65 -1.28 -2.63 117.51 123.02 2e5o h ILE 87 Ca -0.27 -1.53 0.17 0.00 1.03 0.00 0.00 64.86 64.26 2e5o h ILE 87 Cb 1.09 2.24 -0.08 0.00 -2.05 0.00 0.00 36.82 38.02 2e5o h ILE 87 CO 1.22 0.43 0.47 -1.81 0.03 0.00 0.00 178.15 178.49 2e5o s ASP 88 N -6.16 -0.18 -0.33 2.16 1.01 -1.18 -4.90 116.67 107.09 2e5o s ASP 88 Ca -0.15 -0.42 0.01 0.00 0.71 0.00 0.00 52.55 52.70 2e5o s ASP 88 Cb 0.03 0.51 0.10 0.00 1.01 0.00 0.00 42.92 44.57 2e5o s ASP 88 CO 0.74 -0.93 0.09 0.00 0.21 0.00 0.00 175.17 175.28 2e5o s LEU 90 N 1.32 3.22 0.40 0.00 1.43 -0.18 -4.83 118.68 120.04 2e5o s LEU 90 Ca 0.11 -0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.21 2e5o s LEU 90 Cb -0.18 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 2e5o s LEU 90 CO -0.19 -1.26 0.28 -0.94 0.23 0.00 0.00 176.35 174.47 2e5o s SER 91 N -4.48 4.81 0.62 2.29 1.04 -1.26 0.45 113.70 117.16 2e5o s SER 91 Ca 0.59 -0.85 0.22 0.00 0.48 0.00 0.00 55.95 56.39 2e5o s SER 91 Cb -0.10 -0.58 0.90 0.00 0.10 0.00 0.00 66.02 66.34 2e5o s SER 91 CO 0.39 -0.56 1.39 1.56 0.98 0.00 0.00 173.24 177.01 2e5o h GLN 92 N 1.24 0.00 0.00 4.02 1.08 -1.66 1.13 115.11 120.91 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 -0.20 -0.22 -0.95 0.00 0.00 178.83 178.09 2e5o h LYS 93 N 0.00 0.00 -0.17 1.46 3.64 -1.93 -3.34 116.57 116.23 2e5o h LYS 93 Ca 0.32 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.71 2e5o h LYS 93 Cb 2.30 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 34.11 2e5o h LYS 93 CO -0.00 0.00 0.08 1.96 -2.27 0.00 0.00 179.45 179.22 2e5o h GLN 94 N -0.41 0.18 -0.68 1.90 4.20 -1.67 0.13 115.11 118.76 2e5o h GLN 94 Ca 0.00 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.79 2e5o h GLN 94 Cb 0.20 -0.04 -0.11 0.00 0.30 0.00 0.00 27.48 27.82 2e5o h GLN 94 CO 0.00 0.12 -0.46 0.35 -0.67 0.00 0.00 178.83 178.17 2e5o h PHE 95 N 0.18 -1.36 -0.35 2.96 3.57 0.10 0.20 116.94 122.24 2e5o h PHE 95 Ca 0.07 0.09 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 2e5o h PHE 95 Cb 0.01 0.69 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2e5o h PHE 95 CO -0.09 -0.42 -0.24 1.57 -2.23 0.00 0.00 178.31 176.90 2e5o h LYS 96 N -0.18 0.79 -0.03 1.11 2.10 -1.65 0.64 116.57 119.34 2e5o h LYS 96 Ca 0.19 -0.38 0.03 0.00 -2.00 0.00 0.00 60.65 58.49 2e5o h LYS 96 Cb 0.55 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 31.82 2e5o h LYS 96 CO -0.75 1.00 -0.50 0.93 -2.00 0.00 0.00 179.45 178.12 2e5o h GLU 97 N 0.57 -0.61 0.07 0.07 5.08 0.84 0.62 114.58 121.23 2e5o h GLU 97 Ca 0.07 0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 2e5o h GLU 97 Cb 0.81 0.14 0.02 0.00 0.50 0.00 0.00 28.75 30.21 2e5o h GLU 97 CO 0.07 -0.40 -0.63 1.96 -1.00 0.00 0.00 179.01 179.00 2e5o h GLN 98 N -0.63 0.31 -2.42 2.33 4.20 -0.72 -3.38 115.11 114.80 2e5o h GLN 98 Ca 0.03 -0.42 -0.67 0.00 0.06 0.00 0.00 58.65 57.65 2e5o h GLN 98 Cb 0.70 0.14 -0.38 0.00 0.30 0.00 0.00 27.48 28.25 2e5o h GLN 98 CO -0.37 1.15 -0.15 1.19 -0.67 0.00 0.00 178.83 179.98 2e5o n PHE 99 N -4.23 3.21 0.40 2.96 3.01 0.22 -4.85 117.46 118.18 2e5o n PHE 99 Ca -0.12 -3.65 0.12 0.00 1.01 0.00 0.00 57.45 54.81 2e5o n PHE 99 Cb 0.72 -0.78 0.49 0.00 -0.01 0.00 0.00 39.48 39.90 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 0.98 0.19 0.23 -1.08 -0.04 0.22 -2.25 135.00 133.24 2e5o n PRO 100 Ca 0.29 0.42 0.13 0.00 -0.04 0.00 0.00 63.50 64.30 2e5o n PRO 100 Cb 0.38 -1.86 0.31 0.00 -0.04 0.00 0.00 33.50 32.29 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 5.19 -1.88 -3.24 116.42 120.03 2e5o h ASP 101 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2e5o h ASP 101 Cb 0.36 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 2e5o h ASP 101 CO 0.00 0.00 -0.23 2.30 -3.12 0.00 0.00 179.24 178.19 2e5o n ILE 102 N -3.05 1.39 0.24 0.35 -5.35 -0.96 -4.75 119.36 107.24 2e5o n ILE 102 Ca 0.03 -1.79 0.08 0.00 -0.27 0.00 0.00 62.75 60.81 2e5o n ILE 102 Cb 0.47 -0.00 0.59 0.00 -1.74 0.00 0.00 39.64 38.96 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 0.17 0.00 0.56 7.28 4.64 -1.49 -2.56 113.55 122.15 2e5o h SER 103 Ca -0.01 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.04 2e5o h SER 103 Cb 1.14 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.18 2e5o h SER 103 CO 0.00 0.17 -1.62 0.06 -0.87 0.00 0.00 176.83 174.58 2e5o h GLN 104 N 0.00 0.00 -1.00 4.77 -0.00 -1.85 -3.36 115.11 113.67 2e5o h GLN 104 Ca -0.00 0.00 0.31 0.00 -0.00 0.00 0.00 58.65 58.96 2e5o h GLN 104 Cb 0.36 0.00 -0.15 0.00 -0.00 0.00 0.00 27.48 27.69 2e5o h GLN 104 CO 0.02 0.51 0.57 0.93 -0.00 0.00 0.00 178.83 180.86 2e5o h GLU 105 N 0.00 0.35 -6.58 0.06 5.08 -1.78 -3.38 114.58 108.34 2e5o h GLU 105 Ca -0.25 -0.02 -0.69 0.00 -1.00 0.00 0.00 59.36 57.40 2e5o h GLU 105 Cb 1.95 -0.08 -0.29 0.00 0.50 0.00 0.00 28.75 30.82 2e5o h GLU 105 CO 0.08 0.23 -0.89 0.45 -1.00 0.00 0.00 179.01 177.89 2e5o s SER 106 N -4.95 3.01 -0.19 1.42 0.15 -1.24 -4.98 113.70 106.92 2e5o s SER 106 Ca -0.10 -0.48 0.14 0.00 0.70 0.00 0.00 55.95 56.21 2e5o s SER 106 Cb 0.30 -0.32 0.40 0.00 -1.71 0.00 0.00 66.02 64.68 2e5o s SER 106 CO 0.79 0.30 1.25 -0.67 1.20 0.00 0.00 173.24 176.11 2e5o n ASP 107 N 2.34 2.25 -4.94 5.45 2.03 -1.26 -4.91 116.55 117.50 2e5o n ASP 107 Ca -0.16 -3.51 -0.21 0.00 0.52 0.00 0.00 54.79 51.42 2e5o n ASP 107 Cb 0.51 -0.51 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 2e5o n ASP 107 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2e5o s SER 108 N -2.89 6.14 0.44 1.67 1.04 -1.26 -5.01 113.70 113.82 2e5o s SER 108 Ca 0.37 -0.01 0.23 0.00 0.48 0.00 0.00 55.95 57.02 2e5o s SER 108 Cb 0.34 -1.73 0.97 0.00 0.10 0.00 0.00 66.02 65.70 2e5o s SER 108 CO -0.01 -0.09 1.86 1.55 0.98 0.00 0.00 173.24 177.53 2e5o h PRO 109 N 1.22 0.00 -3.06 4.02 0.13 -1.91 -3.35 132.00 129.04 2e5o h PRO 109 Ca -0.51 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.04 2e5o h PRO 109 Cb 1.23 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.97 2e5o h PRO 109 CO 0.60 0.25 -0.78 -0.06 -0.23 0.00 0.00 178.00 177.79 2e5o s PHE 110 N -3.81 1.27 0.07 1.56 0.08 -1.10 -2.90 117.98 113.16 2e5o s PHE 110 Ca -0.01 -1.69 -0.25 0.00 0.12 0.00 0.00 56.93 55.10 2e5o s PHE 110 Cb 0.11 -1.41 -0.06 0.00 -0.57 0.00 0.00 43.02 41.09 2e5o s PHE 110 CO 0.64 -0.84 0.77 0.08 -0.10 0.00 0.00 175.22 175.78 2e5o s VAL 111 N 1.31 4.65 -0.48 -0.44 1.01 0.17 -3.37 120.40 123.26 2e5o s VAL 111 Ca 0.13 1.65 -0.14 0.00 0.00 0.00 0.00 61.98 63.63 2e5o s VAL 111 Cb -0.20 -4.12 0.09 0.00 0.00 0.00 0.00 36.38 32.15 2e5o s VAL 111 CO -0.16 0.40 0.39 -0.36 0.00 0.00 0.00 175.10 175.36 2e5o s PHE 112 N -0.29 3.28 -0.07 5.22 0.08 -0.05 -1.01 117.98 125.14 2e5o s PHE 112 Ca 0.38 -1.21 -0.30 0.00 0.12 0.00 0.00 56.93 55.93 2e5o s PHE 112 Cb -0.21 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 38.90 2e5o s PHE 112 CO 0.24 -0.87 1.43 0.42 -0.10 0.00 0.00 175.22 176.33 2e5o s ILE 113 N 1.57 3.86 0.17 0.64 1.01 0.22 -1.04 121.20 127.63 2e5o s ILE 113 Ca 0.04 1.13 0.08 0.00 0.00 0.00 0.00 60.65 61.90 2e5o s ILE 113 Cb -0.25 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2e5o s ILE 113 CO 0.04 -0.06 -0.17 0.00 0.00 0.00 0.00 174.94 174.75 2e5o s LYS 115 N -2.95 1.68 -1.20 0.00 -0.14 0.13 -4.55 119.74 112.72 2e5o s LYS 115 Ca 0.17 -1.79 -0.02 0.00 -1.36 0.00 0.00 55.97 52.96 2e5o s LYS 115 Cb -0.05 0.36 -0.01 0.00 -1.68 0.00 0.00 37.83 36.45 2e5o s LYS 115 CO 0.06 -0.64 0.91 0.09 -0.76 0.00 0.00 175.35 175.01 2e5o n ASN 116 N -1.15 -2.67 -4.62 2.83 3.02 -1.26 0.28 115.26 111.69 2e5o n ASN 116 Ca 0.04 -0.70 -0.43 0.00 -0.03 0.00 0.00 54.58 53.46 2e5o n ASN 116 Cb 0.63 -4.82 -0.03 0.00 -0.61 0.00 0.00 39.78 34.95 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 3.70 0.00 3.52 0.04 -1.26 -4.45 135.00 131.17 2e5o s PRO 117 Ca 0.09 1.57 0.05 0.00 0.04 0.00 0.00 61.00 62.75 2e5o s PRO 117 Cb -0.02 -4.06 -0.02 0.00 0.04 0.00 0.00 34.50 30.45 2e5o s PRO 117 CO 0.76 -1.41 -0.17 1.14 0.04 0.00 0.00 177.00 177.35 2e5o s GLN 118 N 4.87 1.28 -0.25 4.56 -2.07 -1.08 -4.66 119.66 122.30 2e5o s GLN 118 Ca 0.72 -0.67 -0.09 0.00 -1.82 0.00 0.00 55.36 53.50 2e5o s GLN 118 Cb -0.24 -1.27 -0.04 0.00 -1.09 0.00 0.00 33.01 30.38 2e5o s GLN 118 CO 0.30 0.34 0.11 -2.00 -1.32 0.00 0.00 175.29 172.72 2e5o s GLU 119 N -0.63 3.79 0.43 9.60 2.12 -1.16 -2.05 118.70 130.80 2e5o s GLU 119 Ca 0.06 -0.41 -0.25 0.00 0.36 0.00 0.00 54.97 54.73 2e5o s GLU 119 Cb -0.07 -3.44 -0.08 0.00 0.26 0.00 0.00 34.13 30.80 2e5o s GLU 119 CO 0.00 -0.14 1.34 -1.64 -0.54 0.00 0.00 175.26 174.28 2e5o s MET 120 N 1.55 3.83 0.43 4.30 -1.94 -0.24 -4.04 119.30 123.20 2e5o s MET 120 Ca 0.06 2.23 0.22 0.00 -1.71 0.00 0.00 55.69 56.49 2e5o s MET 120 Cb -0.15 -2.69 0.94 0.00 2.01 0.00 0.00 34.83 34.94 2e5o s MET 120 CO 0.06 -0.63 1.85 0.28 -0.01 0.00 0.00 175.02 176.57 2e5o h VAL 121 N 2.35 0.72 -4.20 -6.03 2.07 -1.70 -3.44 116.25 106.01 2e5o h VAL 121 Ca -0.50 -1.14 -0.51 0.00 0.82 0.00 0.00 66.70 65.37 2e5o h VAL 121 Cb 1.25 1.72 -0.28 0.00 -1.52 0.00 0.00 31.29 32.47 2e5o h VAL 121 CO 0.62 0.26 -0.82 0.54 0.02 0.00 0.00 177.57 178.19 2e5o s VAL 122 N -3.79 1.28 0.02 2.57 0.11 -1.26 -5.12 120.40 114.20 2e5o s VAL 122 Ca -0.01 -0.82 0.04 0.00 -2.93 0.00 0.00 61.98 58.26 2e5o s VAL 122 Cb 0.11 -1.09 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 2e5o s VAL 122 CO 0.65 0.26 -0.07 -0.54 -3.33 0.00 0.00 175.10 172.07 2e5o s LYS 123 N -0.65 2.51 -0.00 1.54 -0.14 -1.26 -4.92 119.74 116.82 2e5o s LYS 123 Ca 0.05 -0.76 0.04 0.00 -1.36 0.00 0.00 55.97 53.95 2e5o s LYS 123 Cb -0.07 -2.48 -0.03 0.00 -1.68 0.00 0.00 37.83 33.57 2e5o s LYS 123 CO 0.00 0.59 -0.12 -0.06 -0.76 0.00 0.00 175.35 175.00 2e5o s PHE 124 N -1.04 2.74 -0.86 3.18 0.08 -1.26 -4.89 117.98 115.94 2e5o s PHE 124 Ca 0.18 -0.14 -0.25 0.00 0.12 0.00 0.00 56.93 56.84 2e5o s PHE 124 Cb -0.11 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 2e5o s PHE 124 CO 0.09 0.28 1.93 -1.25 -0.10 0.00 0.00 175.22 176.18 2e5o s PRO 125 N -1.23 2.57 0.14 0.24 0.04 -1.26 -2.17 135.00 133.32 2e5o s PRO 125 Ca 0.15 -0.16 0.05 0.00 0.04 0.00 0.00 61.00 61.08 2e5o s PRO 125 Cb -0.11 -4.96 -0.04 0.00 0.04 0.00 0.00 34.50 29.43 2e5o s PRO 125 CO 0.05 -3.28 -0.12 0.96 0.04 0.00 0.00 177.00 174.65 2e5o s ILE 126 N 9.93 1.25 -0.12 0.56 -5.25 -0.79 -4.98 121.20 121.79 2e5o s ILE 126 Ca 0.70 -1.95 -0.05 0.00 -0.99 0.00 0.00 60.65 58.36 2e5o s ILE 126 Cb -0.08 -1.74 -0.04 0.00 2.95 0.00 0.00 42.46 43.56 2e5o s ILE 126 CO 0.02 -0.63 0.07 -0.54 -1.79 0.00 0.00 174.94 172.07 2e5o s LYS 127 N -3.36 3.42 0.44 0.37 1.02 -1.26 -2.97 119.74 117.39 2e5o s LYS 127 Ca 0.14 -0.29 0.04 0.00 0.02 0.00 0.00 55.97 55.88 2e5o s LYS 127 Cb -0.00 -3.05 0.01 0.00 -0.52 0.00 0.00 37.83 34.26 2e5o s LYS 127 CO 0.02 0.61 0.62 0.20 -0.92 0.00 0.00 175.35 175.88 2e5o s GLY 128 N -0.59 1.70 0.08 -3.33 0.00 -1.26 -5.03 107.32 98.88 2e5o s GLY 128 Ca 0.11 -1.33 -0.02 0.00 0.00 0.00 0.00 44.72 43.48 2e5o s GLY 128 CO 0.02 -1.16 0.01 -1.31 0.00 0.00 0.00 173.10 170.67 2e5o s ASN 129 N -4.28 0.41 0.00 1.64 0.01 -1.26 -4.94 114.94 106.52 2e5o s ASN 129 Ca 0.51 -1.04 0.15 0.00 -0.71 0.00 0.00 52.86 51.76 2e5o s ASN 129 Cb -0.10 0.24 0.88 0.00 0.41 0.00 0.00 41.25 42.68 2e5o s ASN 129 CO 0.35 -0.65 1.29 -0.81 -1.51 0.00 0.00 177.10 175.78 2e5o n PRO 130 N 0.03 0.49 -3.16 -0.60 -0.04 -1.26 -4.10 135.00 126.35 2e5o n PRO 130 Ca -0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.24 2e5o n PRO 130 Cb 0.62 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.97 0.31 -2.92 0.54 4.76 -1.26 -4.99 118.16 113.63 2e5o n LYS 131 Ca 0.11 -1.72 -0.40 0.00 -2.87 0.00 0.00 58.31 53.43 2e5o n LYS 131 Cb 0.05 1.32 -0.06 0.00 -1.84 0.00 0.00 35.03 34.51 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 -2.63 4.40 -0.12 -0.18 1.01 -1.26 -4.59 121.20 117.83 2e5o s ILE 132 Ca 0.19 1.79 -0.05 0.00 0.00 0.00 0.00 60.65 62.58 2e5o s ILE 132 Cb 0.01 -4.19 0.06 0.00 0.01 0.00 0.00 42.46 38.35 2e5o s ILE 132 CO 0.13 0.47 0.25 -1.66 0.00 0.00 0.00 174.94 174.13 2e5o s TRP 133 N -0.81 -0.38 0.06 3.97 1.48 -1.21 -5.04 118.94 117.02 2e5o s TRP 133 Ca 0.38 0.89 -0.35 0.00 -1.06 0.00 0.00 56.10 55.96 2e5o s TRP 133 Cb -0.23 -0.01 -0.14 0.00 -1.16 0.00 0.00 33.47 31.93 2e5o s TRP 133 CO 0.27 -0.30 1.61 1.17 -4.06 0.00 0.00 176.95 175.64 2e5o n LYS 134 N 4.88 1.90 -0.21 3.25 4.81 -1.26 -3.49 118.16 128.04 2e5o n LYS 134 Ca -0.14 0.69 -0.28 0.00 -0.87 0.00 0.00 58.31 57.71 2e5o n LYS 134 Cb 0.51 -2.45 0.27 0.00 0.02 0.00 0.00 35.03 33.38 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 4.12 0.00 -4.70 3.14 4.77 -1.18 -4.95 117.00 118.20 2e5o n LEU 135 Ca 0.19 -0.80 -0.40 0.00 -0.03 0.00 0.00 56.01 54.97 2e5o n LEU 135 Cb 0.26 -0.90 -0.05 0.00 -2.33 0.00 0.00 43.42 40.39 2e5o n LEU 135 CO 0.67 -2.72 0.37 -0.62 -1.33 0.00 0.00 177.39 173.75 2e5o s ASP 136 N -3.01 6.84 0.30 -1.43 2.15 -1.26 -4.89 116.67 115.37 2e5o s ASP 136 Ca 0.61 1.01 0.16 0.00 0.43 0.00 0.00 52.55 54.77 2e5o s ASP 136 Cb -0.11 -2.37 1.08 0.00 -0.30 0.00 0.00 42.92 41.22 2e5o s ASP 136 CO 0.51 -0.17 1.29 -1.20 -0.17 0.00 0.00 175.17 175.44 2e5o n SER 137 N 4.27 0.27 -0.03 -0.34 7.64 -1.26 0.24 113.62 124.41 2e5o n SER 137 Ca -0.02 1.36 -0.17 0.00 1.01 0.00 0.00 58.87 61.05 2e5o n SER 137 Cb 0.51 -0.66 -0.08 0.00 -1.01 0.00 0.00 64.21 62.97 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 0.71 -0.35 1.43 1.57 -2.02 -3.28 116.57 114.62 2e5o h LYS 138 Ca 0.69 -0.58 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2e5o h LYS 138 Cb 1.80 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 34.22 2e5o h LYS 138 CO -0.64 1.19 0.07 0.82 -0.57 0.00 0.00 179.45 180.32 2e5o h ILE 139 N 0.40 1.23 -0.45 1.86 1.08 0.28 -3.12 117.51 118.78 2e5o h ILE 139 Ca -0.05 -0.81 0.04 0.00 -0.39 0.00 0.00 64.86 63.66 2e5o h ILE 139 Cb 1.32 1.09 -0.05 0.00 -3.07 0.00 0.00 36.82 36.11 2e5o h ILE 139 CO 0.14 0.27 -0.27 1.57 -0.69 0.00 0.00 178.15 179.18 2e5o n HIS 140 N -4.59 -0.20 0.03 1.37 -0.00 0.90 -0.27 115.22 112.46 2e5o n HIS 140 Ca -0.01 0.57 -0.03 0.00 0.46 0.00 0.00 57.72 58.70 2e5o n HIS 140 Cb 0.21 -0.52 -0.02 0.00 -0.12 0.00 0.00 29.99 29.55 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 -0.13 -0.81 1.57 1.08 -1.67 -2.11 115.11 113.04 2e5o h GLN 141 Ca 0.07 0.01 0.19 0.00 -1.45 0.00 0.00 58.65 57.47 2e5o h GLN 141 Cb 0.19 0.03 -0.15 0.00 -0.05 0.00 0.00 27.48 27.49 2e5o h GLN 141 CO -0.43 -0.09 -0.12 0.41 -0.95 0.00 0.00 178.83 177.66 2e5o n GLY 142 N -1.08 -1.26 0.21 3.46 0.00 -0.93 0.14 105.19 105.72 2e5o n GLY 142 Ca -0.02 0.84 -0.04 0.00 0.00 0.00 0.00 46.02 46.81 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 1.62 0.66 0.00 4.61 0.00 -0.26 0.95 119.26 126.84 2e5o h ALA 143 Ca 0.43 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 2e5o h ALA 143 Cb 0.75 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2e5o h ALA 143 CO -0.81 -0.11 -0.04 0.87 0.00 0.00 0.00 179.25 179.16 2e5o h LYS 144 N 0.48 0.00 0.07 0.00 1.57 0.18 -2.83 116.57 116.05 2e5o h LYS 144 Ca 0.23 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.83 2e5o h LYS 144 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2e5o h LYS 144 CO -0.18 0.04 -0.92 0.87 -0.57 0.00 0.00 179.45 178.70 2e5o h LYS 145 N 0.00 0.15 -0.07 3.15 1.79 0.03 -3.32 116.57 118.30 2e5o h LYS 145 Ca -0.00 -0.25 0.02 0.00 -2.18 0.00 0.00 60.65 58.24 2e5o h LYS 145 Cb 0.21 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2e5o h LYS 145 CO 0.01 1.12 0.74 0.78 -1.08 0.00 0.00 179.45 181.02 2e5o h GLY 146 N -0.48 0.00 -2.57 3.86 0.00 -0.64 0.14 103.07 103.38 2e5o h GLY 146 Ca -0.21 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 2e5o h GLY 146 CO 0.01 0.00 0.12 1.04 0.00 0.00 0.00 176.54 177.71 2e5o n LEU 147 N -2.72 4.23 -0.06 3.11 4.77 -1.23 -2.07 117.00 123.02 2e5o n LEU 147 Ca 0.01 -2.10 -0.13 0.00 -0.03 0.00 0.00 56.01 53.76 2e5o n LEU 147 Cb 0.78 -0.71 -0.14 0.00 -2.33 0.00 0.00 43.42 41.02 2e5o n LEU 147 CO 0.07 0.73 -0.90 1.15 -1.33 0.00 0.00 177.39 177.12 2e5o n MET 148 N 0.47 0.68 -2.52 3.23 0.00 0.49 -4.47 117.12 115.00 2e5o n MET 148 Ca 0.10 0.17 -0.26 0.00 0.00 0.00 0.00 57.70 57.71 2e5o n MET 148 Cb 0.65 -1.65 -0.00 0.00 0.00 0.00 0.00 33.22 32.21 2e5o n MET 148 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2e5o n LYS 149 N -3.06 3.31 -0.87 3.17 5.02 -1.25 -5.09 118.16 119.39 2e5o n LYS 149 Ca -0.29 -4.48 -0.27 0.00 -2.02 0.00 0.00 58.31 51.25 2e5o n LYS 149 Cb 1.08 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 2e5o n LYS 149 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2e5o n GLN 150 N -0.44 0.00 -2.94 1.97 1.13 -1.26 -4.73 117.38 111.10 2e5o n GLN 150 Ca 0.37 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.99 2e5o n GLN 150 Cb 0.65 -0.69 -0.04 0.00 0.11 0.00 0.00 30.24 30.27 2e5o n GLN 150 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2e5o s ASN 151 N -0.69 6.25 0.20 1.08 2.47 -1.26 -4.87 114.94 118.12 2e5o s ASN 151 Ca 0.40 -1.29 -0.01 0.00 0.42 0.00 0.00 52.86 52.38 2e5o s ASN 151 Cb -0.37 -2.38 0.15 0.00 -1.45 0.00 0.00 41.25 37.20 2e5o s ASN 151 CO 0.45 -1.29 1.51 0.07 -3.72 0.00 0.00 177.10 174.12 2e5o h LYS 152 N 9.34 0.43 0.00 0.43 2.10 -1.97 -3.43 116.57 123.47 2e5o h LYS 152 Ca -0.22 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 2e5o h LYS 152 Cb 1.07 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2e5o h LYS 152 CO 1.14 0.90 0.00 0.00 -2.00 0.00 0.00 179.45 179.50 2e5o n ALA 153 N -2.50 3.00 0.00 0.07 0.00 -1.26 -5.21 120.51 114.60 2e5o n ALA 153 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2e5o n ALA 153 Cb 0.63 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.22 2e5o n ALA 153 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78