#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 5.62 0.12 1.61 1.04 -1.26 -5.13 113.70 115.70 2e5o s SER 2 Ca 0.00 -0.29 0.03 0.00 0.48 0.00 0.00 55.95 56.18 2e5o s SER 2 Cb 0.00 -0.80 -0.04 0.00 0.10 0.00 0.00 66.02 65.28 2e5o s SER 2 CO 0.00 -0.80 -0.09 -0.44 0.98 0.00 0.00 173.24 172.89 2e5o s SER 3 N -4.34 1.49 0.00 7.02 0.01 -1.26 -5.12 113.70 111.51 2e5o s SER 3 Ca 0.54 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2e5o s SER 3 Cb -0.10 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.16 2e5o s SER 3 CO 0.34 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2e5o n GLY 4 N 0.01 2.34 2.77 3.44 0.00 -1.26 -5.07 105.19 107.42 2e5o n GLY 4 Ca -0.12 -1.80 -0.21 0.00 0.00 0.00 0.00 46.02 43.89 2e5o n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e5o s SER 5 N 0.00 1.19 0.09 1.61 0.01 -1.26 -5.15 113.70 110.19 2e5o s SER 5 Ca 0.00 -0.04 0.08 0.00 1.31 0.00 0.00 55.95 57.30 2e5o s SER 5 Cb 0.00 -0.32 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 2e5o s SER 5 CO 0.00 -0.18 -0.14 -0.44 0.41 0.00 0.00 173.24 172.89 2e5o s SER 6 N 1.73 4.12 -0.80 2.44 0.01 -1.26 -5.06 113.70 114.88 2e5o s SER 6 Ca 0.01 -0.45 -0.25 0.00 1.31 0.00 0.00 55.95 56.57 2e5o s SER 6 Cb -0.13 -0.70 -0.02 0.00 0.21 0.00 0.00 66.02 65.39 2e5o s SER 6 CO -0.04 0.20 1.78 -0.83 0.41 0.00 0.00 173.24 174.76 2e5o s GLY 7 N -2.02 0.40 0.60 3.44 0.00 -1.26 -4.93 107.32 103.56 2e5o s GLY 7 Ca 0.19 -1.31 -0.08 0.00 0.00 0.00 0.00 44.72 43.51 2e5o s GLY 7 CO 0.11 3.27 0.96 -0.98 0.00 0.00 0.00 173.10 176.45 2e5o s TRP 8 N 8.60 3.44 -0.04 1.90 0.52 -1.26 -3.69 118.94 128.41 2e5o s TRP 8 Ca 0.62 0.95 0.01 0.00 0.02 0.00 0.00 56.10 57.70 2e5o s TRP 8 Cb -0.08 -2.72 0.02 0.00 -1.15 0.00 0.00 33.47 29.55 2e5o s TRP 8 CO 0.07 -0.75 -0.03 0.00 0.02 0.00 0.00 176.95 176.25 2e5o s LEU 10 N 0.92 3.25 0.63 0.00 2.96 0.21 -3.31 118.68 123.35 2e5o s LEU 10 Ca -0.11 -1.02 -0.17 0.00 -0.22 0.00 0.00 54.13 52.62 2e5o s LEU 10 Cb -0.14 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 2e5o s LEU 10 CO -0.00 -0.15 1.14 -0.94 -1.32 0.00 0.00 176.35 175.08 2e5o s SER 11 N 1.27 5.13 0.16 3.68 1.04 -1.26 -2.77 113.70 120.95 2e5o s SER 11 Ca -0.02 2.14 0.01 0.00 0.48 0.00 0.00 55.95 58.56 2e5o s SER 11 Cb -0.17 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.33 2e5o s SER 11 CO -0.05 -1.62 0.02 -0.69 0.98 0.00 0.00 173.24 171.88 2e5o s VAL 12 N -2.06 0.50 -0.39 5.02 1.01 0.23 -4.84 120.40 119.86 2e5o s VAL 12 Ca 0.71 -1.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.60 2e5o s VAL 12 Cb -0.24 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.08 2e5o s VAL 12 CO 0.37 -0.48 0.25 -1.00 0.00 0.00 0.00 175.10 174.25 2e5o s HIS 13 N -3.78 3.24 0.87 5.22 3.76 -1.26 0.42 115.29 123.76 2e5o s HIS 13 Ca 0.24 -0.76 -0.13 0.00 -0.15 0.00 0.00 55.06 54.26 2e5o s HIS 13 Cb 0.07 -2.52 0.07 0.00 1.11 0.00 0.00 32.58 31.31 2e5o s HIS 13 CO 0.03 -0.61 0.85 1.04 -0.85 0.00 0.00 174.74 175.19 2e5o n GLN 14 N 5.08 -0.11 0.08 1.40 1.13 -1.26 -2.95 117.38 120.75 2e5o n GLN 14 Ca -0.11 0.03 -0.03 0.00 -1.94 0.00 0.00 57.00 54.94 2e5o n GLN 14 Cb 0.47 -2.16 0.19 0.00 0.11 0.00 0.00 30.24 28.84 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 -1.28 0.28 -0.26 -1.09 0.13 -1.93 -3.39 132.00 124.46 2e5o h PRO 15 Ca -0.44 -0.15 0.03 0.00 -0.87 0.00 0.00 66.00 64.57 2e5o h PRO 15 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 2e5o h PRO 15 CO 0.41 0.68 -0.14 0.91 -0.23 0.00 0.00 178.00 179.63 2e5o n TRP 16 N -3.99 -0.09 -0.23 1.56 8.01 -1.15 0.15 117.44 121.70 2e5o n TRP 16 Ca -0.02 0.32 -0.00 0.00 -1.31 0.00 0.00 57.50 56.49 2e5o n TRP 16 Cb 0.51 -0.54 0.03 0.00 -2.01 0.00 0.00 31.31 29.31 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 -3.82 -0.05 0.12 6.99 0.00 -1.16 -0.02 120.51 122.58 2e5o n ALA 17 Ca 0.01 0.61 -0.12 0.00 0.00 0.00 0.00 53.44 53.94 2e5o n ALA 17 Cb 0.07 -0.28 -0.08 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.30 -1.87 0.00 0.02 0.11 -3.10 113.55 108.40 2e5o h SER 18 Ca 0.22 -0.23 0.56 0.00 -0.84 0.00 0.00 61.79 61.50 2e5o h SER 18 Cb 0.37 0.08 -0.09 0.00 0.14 0.00 0.00 62.40 62.90 2e5o h SER 18 CO -0.60 0.15 1.33 -0.07 -1.14 0.00 0.00 176.83 176.49 2e5o h LEU 19 N -0.84 0.04 0.16 5.07 3.38 -0.16 0.56 115.31 123.52 2e5o h LEU 19 Ca -0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2e5o h LEU 19 Cb 0.51 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2e5o h LEU 19 CO 0.06 -0.05 -0.08 -0.07 0.09 0.00 0.00 178.44 178.40 2e5o h LEU 20 N 0.00 -0.18 -0.12 1.67 4.07 -0.95 0.12 115.31 119.92 2e5o h LEU 20 Ca 0.93 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.90 2e5o h LEU 20 Cb 3.61 0.05 0.00 0.00 1.08 0.00 0.00 40.66 45.39 2e5o h LEU 20 CO -0.10 -0.11 0.00 1.33 -1.08 0.00 0.00 178.44 178.49 2e5o n VAL 21 N -2.68 1.76 0.09 1.22 0.24 -0.12 -1.59 118.33 117.25 2e5o n VAL 21 Ca -0.03 0.48 -0.23 0.00 -2.04 0.00 0.00 64.34 62.52 2e5o n VAL 21 Cb 0.08 -1.44 -0.15 0.00 -1.47 0.00 0.00 33.84 30.86 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 0.43 0.00 7.34 2.47 -0.80 -3.19 114.38 120.63 2e5o h ARG 22 Ca 0.00 -0.73 0.00 0.00 -1.26 0.00 0.00 59.98 57.99 2e5o h ARG 22 Cb 0.04 0.27 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 2e5o h ARG 22 CO 0.00 1.35 0.00 0.41 0.56 0.00 0.00 179.97 182.29 2e5o n GLY 23 N 1.83 0.87 0.12 0.04 0.00 -0.43 -4.97 105.19 102.66 2e5o n GLY 23 Ca -0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 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 1.31 -3.32 -0.61 5.03 -1.04 -3.43 117.51 115.46 2e5o h ILE 24 Ca 0.00 -2.53 -0.74 0.00 -0.12 0.00 0.00 64.86 61.47 2e5o h ILE 24 Cb 0.00 3.02 -0.23 0.00 -3.03 0.00 0.00 36.82 36.59 2e5o h ILE 24 CO 0.00 0.74 -0.34 -0.75 -0.68 0.00 0.00 178.15 177.12 2e5o s LYS 25 N -2.48 2.97 -0.30 2.37 2.47 -0.31 -4.91 119.74 119.55 2e5o s LYS 25 Ca -0.15 -1.33 0.11 0.00 -1.56 0.00 0.00 55.97 53.04 2e5o s LYS 25 Cb 0.03 -4.11 0.72 0.00 -1.46 0.00 0.00 37.83 33.00 2e5o s LYS 25 CO 0.84 -1.01 1.74 2.89 0.16 0.00 0.00 175.35 179.97 2e5o n ARG 26 N 5.19 3.65 -3.70 4.03 1.85 -1.26 -4.13 116.66 122.28 2e5o n ARG 26 Ca -0.12 -3.08 -0.14 0.00 -1.00 0.00 0.00 57.85 53.50 2e5o n ARG 26 Cb 0.44 -2.16 -0.08 0.00 -1.05 0.00 0.00 32.46 29.61 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 -2.97 0.03 -0.18 8.89 -7.23 -1.26 -2.52 120.40 115.16 2e5o s VAL 27 Ca 0.53 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.48 2e5o s VAL 27 Cb 0.43 -0.69 0.01 0.00 0.56 0.00 0.00 36.38 36.68 2e5o s VAL 27 CO 0.12 -0.12 -0.16 -0.70 -0.31 0.00 0.00 175.10 173.93 2e5o s GLU 28 N -0.76 3.12 -0.16 4.82 2.12 0.37 -4.90 118.70 123.31 2e5o s GLU 28 Ca -0.08 -0.77 -0.23 0.00 0.36 0.00 0.00 54.97 54.24 2e5o s GLU 28 Cb -0.04 -2.65 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 2e5o s GLU 28 CO 0.04 -0.12 0.71 0.20 -0.54 0.00 0.00 175.26 175.55 2e5o s GLY 29 N 1.14 2.17 -0.00 -1.50 0.00 -1.26 -0.09 107.32 107.77 2e5o s GLY 29 Ca 0.01 -0.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.54 2e5o s GLY 29 CO -0.06 1.41 0.20 0.50 0.00 0.00 0.00 173.10 175.15 2e5o s ARG 30 N 1.80 0.56 -0.09 2.90 1.81 -1.11 -4.88 118.95 119.93 2e5o s ARG 30 Ca 0.34 -0.34 0.04 0.00 -1.72 0.00 0.00 55.73 54.05 2e5o s ARG 30 Cb -0.16 0.24 0.28 0.00 -0.45 0.00 0.00 34.95 34.86 2e5o s ARG 30 CO 0.12 -0.14 0.99 -1.13 -0.68 0.00 0.00 175.30 174.46 2e5o n SER 31 N 1.35 2.75 -3.98 0.23 3.41 -1.26 -2.15 113.62 113.97 2e5o n SER 31 Ca -0.22 -2.36 -0.08 0.00 -0.26 0.00 0.00 58.87 55.95 2e5o n SER 31 Cb 0.56 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.56 0.37 -0.13 7.33 1.48 -1.26 -4.89 118.94 120.29 2e5o s TRP 32 Ca 0.19 -0.84 -0.06 0.00 -1.06 0.00 0.00 56.10 54.34 2e5o s TRP 32 Cb 0.15 -0.22 -0.04 0.00 -1.16 0.00 0.00 33.47 32.20 2e5o s TRP 32 CO 0.05 -0.49 0.09 -0.47 -4.06 0.00 0.00 176.95 172.07 2e5o s TYR 33 N -3.91 3.41 -0.32 1.66 6.14 -1.26 -4.55 117.35 118.53 2e5o s TYR 33 Ca 0.08 0.35 -0.01 0.00 0.64 0.00 0.00 57.07 58.14 2e5o s TYR 33 Cb 0.06 -1.93 0.11 0.00 0.42 0.00 0.00 41.96 40.61 2e5o s TYR 33 CO -0.09 0.55 0.13 -0.08 0.64 0.00 0.00 175.55 176.70 2e5o s THR 34 N -0.68 0.62 -2.00 4.34 -1.32 -1.26 -4.98 115.64 110.37 2e5o s THR 34 Ca 0.12 -1.36 0.01 0.00 -1.21 0.00 0.00 61.69 59.25 2e5o s THR 34 Cb -0.12 -1.48 0.02 0.00 -1.51 0.00 0.00 72.50 69.42 2e5o s THR 34 CO 0.02 -0.73 0.53 -0.81 -2.21 0.00 0.00 174.62 171.42 2e5o n PRO 35 N 4.78 0.49 -2.00 7.08 -0.04 -1.26 -4.70 135.00 139.35 2e5o n PRO 35 Ca -0.01 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.02 2e5o n PRO 35 Cb 0.41 -1.02 -0.03 0.00 -0.04 0.00 0.00 33.50 32.82 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 1.81 -0.32 0.54 5.65 -1.26 -4.96 115.29 114.74 2e5o s HIS 36 Ca 0.01 0.61 -0.08 0.00 0.25 0.00 0.00 55.06 55.85 2e5o s HIS 36 Cb 0.01 -4.13 0.02 0.00 -1.18 0.00 0.00 32.58 27.29 2e5o s HIS 36 CO 0.01 -2.99 0.13 1.03 -0.65 0.00 0.00 174.74 172.27 2e5o s ARG 37 N 5.60 3.00 0.00 2.88 1.81 -1.26 -4.82 118.95 126.15 2e5o s ARG 37 Ca 0.80 -0.94 0.00 0.00 -1.72 0.00 0.00 55.73 53.87 2e5o s ARG 37 Cb -0.23 -3.50 0.00 0.00 -0.45 0.00 0.00 34.95 30.77 2e5o s ARG 37 CO 0.34 -0.53 0.00 0.41 -0.68 0.00 0.00 175.30 174.84 2e5o n GLY 38 N 4.91 -0.49 3.77 -3.53 0.00 -1.10 -4.99 105.19 103.75 2e5o n GLY 38 Ca -0.13 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.99 4.62 -0.17 1.61 3.52 -1.26 0.80 118.95 126.08 2e5o s ARG 39 Ca 0.00 1.47 -0.04 0.00 -0.13 0.00 0.00 55.73 57.03 2e5o s ARG 39 Cb 0.00 -2.96 0.08 0.00 -1.56 0.00 0.00 34.95 30.50 2e5o s ARG 39 CO 0.00 0.29 0.18 -1.17 -0.81 0.00 0.00 175.30 173.79 2e5o s LEU 40 N -1.79 -0.01 -0.05 -0.88 2.96 0.17 -4.18 118.68 114.90 2e5o s LEU 40 Ca 0.48 -0.16 -0.30 0.00 -0.22 0.00 0.00 54.13 53.93 2e5o s LEU 40 Cb -0.23 0.24 -0.04 0.00 0.50 0.00 0.00 46.19 46.65 2e5o s LEU 40 CO 0.29 -0.31 1.37 0.26 -1.32 0.00 0.00 176.35 176.64 2e5o s TRP 41 N 2.28 2.80 -0.15 5.38 0.52 0.94 0.10 118.94 130.82 2e5o s TRP 41 Ca 0.05 0.85 -0.15 0.00 0.02 0.00 0.00 56.10 56.87 2e5o s TRP 41 Cb -0.15 -3.62 -0.04 0.00 -1.15 0.00 0.00 33.47 28.51 2e5o s TRP 41 CO -0.10 -2.26 0.35 0.42 0.02 0.00 0.00 176.95 175.38 2e5o s ILE 42 N 2.80 5.27 0.13 2.03 -1.09 -0.01 0.65 121.20 130.97 2e5o s ILE 42 Ca 0.62 0.68 0.06 0.00 -2.23 0.00 0.00 60.65 59.78 2e5o s ILE 42 Cb -0.28 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 2e5o s ILE 42 CO 0.24 0.37 -0.14 0.00 -1.23 0.00 0.00 174.94 174.17 2e5o s ALA 43 N 0.52 1.55 -0.04 9.38 0.00 -1.11 -1.76 121.76 130.29 2e5o s ALA 43 Ca 0.20 -1.31 -0.22 0.00 0.00 0.00 0.00 51.96 50.63 2e5o s ALA 43 Cb -0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 2e5o s ALA 43 CO 0.06 0.11 0.63 0.00 0.00 0.00 0.00 175.76 176.57 2e5o s ALA 44 N -2.14 3.41 1.00 0.00 0.00 -0.06 0.74 121.76 124.72 2e5o s ALA 44 Ca 0.10 0.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.98 2e5o s ALA 44 Cb -0.05 -2.83 0.19 0.00 0.00 0.00 0.00 23.12 20.43 2e5o s ALA 44 CO 0.03 0.03 1.13 0.95 0.00 0.00 0.00 175.76 177.90 2e5o s THR 45 N 0.33 1.93 0.11 0.00 -4.23 0.17 0.11 115.64 114.05 2e5o s THR 45 Ca 0.33 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 61.18 2e5o s THR 45 Cb -0.18 -2.64 0.38 0.00 1.34 0.00 0.00 72.50 71.40 2e5o s THR 45 CO 0.17 0.00 2.00 0.00 -0.54 0.00 0.00 174.62 176.25 2e5o h ALA 46 N -1.85 1.00 -2.61 3.99 0.00 -1.88 -2.44 119.26 115.47 2e5o h ALA 46 Ca -0.51 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 53.88 2e5o h ALA 46 Cb 1.32 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.15 2e5o h ALA 46 CO 0.54 0.00 0.88 0.21 0.00 0.00 0.00 179.25 180.88 2e5o s LYS 47 N -3.70 4.22 -0.12 0.00 2.20 -1.26 -4.82 119.74 116.25 2e5o s LYS 47 Ca 0.00 2.36 -0.19 0.00 -0.36 0.00 0.00 55.97 57.79 2e5o s LYS 47 Cb 0.10 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 2e5o s LYS 47 CO 0.48 -0.60 0.50 0.15 -0.36 0.00 0.00 175.35 175.52 2e5o s LYS 48 N 1.10 4.33 0.11 4.03 1.02 -1.26 -4.45 119.74 124.61 2e5o s LYS 48 Ca 0.70 0.48 -0.31 0.00 0.02 0.00 0.00 55.97 56.86 2e5o s LYS 48 Cb -0.44 -3.45 -0.08 0.00 -0.52 0.00 0.00 37.83 33.34 2e5o s LYS 48 CO 0.32 0.11 1.37 -1.25 -0.92 0.00 0.00 175.35 174.97 2e5o s PRO 49 N 0.77 4.33 0.59 -1.68 0.04 -1.26 -5.01 135.00 132.79 2e5o s PRO 49 Ca 0.27 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 63.19 2e5o s PRO 49 Cb -0.15 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 2e5o s PRO 49 CO 0.11 -0.42 1.05 -1.12 0.04 0.00 0.00 177.00 176.66 2e5o s SER 50 N 1.11 5.88 0.00 6.66 0.01 -1.26 -4.92 113.70 121.18 2e5o s SER 50 Ca 0.64 1.74 0.15 0.00 1.31 0.00 0.00 55.95 59.79 2e5o s SER 50 Cb -0.36 -2.52 0.81 0.00 0.21 0.00 0.00 66.02 64.15 2e5o s SER 50 CO 0.30 -1.10 1.39 -0.81 0.41 0.00 0.00 173.24 173.43 2e5o n PRO 51 N -2.11 0.30 -0.08 12.44 -0.04 -1.26 -2.76 135.00 141.49 2e5o n PRO 51 Ca 0.08 0.10 -0.22 0.00 -0.04 0.00 0.00 63.50 63.42 2e5o n PRO 51 Cb 0.53 -1.50 -0.12 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 -1.20 0.65 -0.18 0.54 1.13 -1.26 -3.61 117.38 113.45 2e5o n GLN 52 Ca 0.08 0.31 -0.09 0.00 -1.94 0.00 0.00 57.00 55.36 2e5o n GLN 52 Cb 0.10 -1.63 0.01 0.00 0.11 0.00 0.00 30.24 28.83 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 -0.41 0.90 0.01 -1.09 3.07 -1.92 0.24 114.58 115.37 2e5o h GLU 53 Ca -0.51 -0.27 -0.00 0.00 -0.50 0.00 0.00 59.36 58.09 2e5o h GLU 53 Cb 1.75 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.57 2e5o h GLU 53 CO -0.13 0.90 -0.01 0.28 -1.40 0.00 0.00 179.01 178.66 2e5o h VAL 54 N 0.77 1.13 -0.37 3.13 2.07 -1.73 0.28 116.25 121.54 2e5o h VAL 54 Ca 0.15 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2e5o h VAL 54 Cb 0.48 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2e5o h VAL 54 CO 0.02 0.11 0.14 -1.28 0.02 0.00 0.00 177.57 176.58 2e5o h SER 55 N -0.20 0.51 0.37 0.57 0.87 -1.61 -0.45 113.55 113.61 2e5o h SER 55 Ca -0.00 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 2e5o h SER 55 Cb 0.20 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2e5o h SER 55 CO 0.00 0.55 -0.18 -0.33 -0.53 0.00 0.00 176.83 176.35 2e5o h GLU 56 N 0.44 -0.48 0.33 2.24 5.08 -0.90 -3.15 114.58 118.15 2e5o h GLU 56 Ca 0.12 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2e5o h GLU 56 Cb 0.21 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2e5o h GLU 56 CO -0.01 -0.20 -0.45 -0.07 -1.00 0.00 0.00 179.01 177.28 2e5o h LEU 57 N -0.71 -1.25 -0.74 1.33 3.38 -0.44 0.77 115.31 117.64 2e5o h LEU 57 Ca -0.05 0.12 0.17 0.00 0.09 0.00 0.00 57.88 58.21 2e5o h LEU 57 Cb 0.49 0.44 -0.14 0.00 0.09 0.00 0.00 40.66 41.54 2e5o h LEU 57 CO 0.08 -0.57 -0.10 0.00 0.09 0.00 0.00 178.44 177.95 2e5o n GLN 58 N -5.51 -0.06 0.00 1.13 6.02 -0.18 0.11 117.38 118.89 2e5o n GLN 58 Ca -0.10 1.14 -0.17 0.00 -0.01 0.00 0.00 57.00 57.86 2e5o n GLN 58 Cb 0.41 -1.75 -0.10 0.00 1.02 0.00 0.00 30.24 29.82 2e5o n GLN 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2e5o h ALA 59 N 1.49 0.11 -0.07 -1.58 0.00 -1.38 -2.09 119.26 115.73 2e5o h ALA 59 Ca 0.40 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 54.77 2e5o h ALA 59 Cb 0.71 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2e5o h ALA 59 CO -0.74 0.40 -0.19 1.15 0.00 0.00 0.00 179.25 179.88 2e5o h THR 60 N 0.02 0.54 -0.31 0.00 2.02 0.33 -2.17 112.91 113.34 2e5o h THR 60 Ca -0.07 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.00 2e5o h THR 60 Cb 1.33 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2e5o h THR 60 CO 0.13 0.00 -0.25 1.88 0.37 0.00 0.00 175.52 177.64 2e5o h TYR 61 N -0.27 0.68 -0.92 3.16 0.05 -0.41 -2.80 116.97 116.47 2e5o h TYR 61 Ca 0.08 -0.15 0.23 0.00 0.05 0.00 0.00 58.73 58.93 2e5o h TYR 61 Cb 0.38 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 37.89 2e5o h TYR 61 CO -0.27 0.80 0.62 0.00 -1.05 0.00 0.00 178.16 178.26 2e5o h ARG 62 N 0.53 0.29 0.00 4.88 3.08 -0.73 0.70 114.38 123.13 2e5o h ARG 62 Ca 0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2e5o h ARG 62 Cb 0.72 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2e5o h ARG 62 CO 0.05 0.19 -0.71 1.28 -1.07 0.00 0.00 179.97 179.72 2e5o n LEU 63 N -4.46 0.65 -0.00 3.04 4.77 -1.02 0.13 117.00 120.10 2e5o n LEU 63 Ca 0.20 0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 56.23 2e5o n LEU 63 Cb 0.79 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 41.57 2e5o n LEU 63 CO 0.32 -0.01 -0.45 -0.07 -1.33 0.00 0.00 177.39 175.85 2e5o h LEU 64 N 0.00 0.05 0.00 2.23 3.38 0.38 -3.41 115.31 117.94 2e5o h LEU 64 Ca 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2e5o h LEU 64 Cb 0.71 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2e5o h LEU 64 CO 0.00 1.09 -1.04 0.54 0.09 0.00 0.00 178.44 179.11 2e5o n ARG 65 N -3.14 3.63 0.00 1.13 5.12 0.12 -5.08 116.66 118.44 2e5o n ARG 65 Ca -0.16 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 2e5o n ARG 65 Cb 1.04 -1.02 0.00 0.00 -1.16 0.00 0.00 32.46 31.32 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 2.93 3.85 0.34 -0.13 0.00 0.19 -4.89 105.19 107.48 2e5o n GLY 66 Ca -0.01 -0.74 0.06 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.95 1.61 2.10 0.73 0.92 116.57 120.97 2e5o h LYS 67 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2e5o h LYS 67 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2e5o h LYS 67 CO 0.00 0.00 0.01 -0.25 -2.00 0.00 0.00 179.45 177.21 2e5o n ASP 68 N -2.66 1.86 -3.49 7.07 8.00 -1.26 -4.88 116.55 121.18 2e5o n ASP 68 Ca 0.00 -2.14 -0.27 0.00 0.71 0.00 0.00 54.79 53.09 2e5o n ASP 68 Cb 0.81 -0.53 0.23 0.00 -0.02 0.00 0.00 41.12 41.61 2e5o n ASP 68 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2e5o n VAL 69 N 0.11 0.00 -4.35 2.53 0.24 0.32 -5.08 118.33 112.10 2e5o n VAL 69 Ca 0.04 -0.48 -0.26 0.00 -2.04 0.00 0.00 64.34 61.61 2e5o n VAL 69 Cb 0.42 -1.25 -0.09 0.00 -1.47 0.00 0.00 33.84 31.45 2e5o n VAL 69 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2e5o s GLU 70 N -5.31 2.09 -0.24 7.34 -1.05 -1.26 -5.12 118.70 115.15 2e5o s GLU 70 Ca 0.65 -1.91 -0.26 0.00 -0.15 0.00 0.00 54.97 53.31 2e5o s GLU 70 Cb -0.06 -1.85 0.07 0.00 -0.44 0.00 0.00 34.13 31.85 2e5o s GLU 70 CO 0.50 -0.03 0.71 -0.06 0.95 0.00 0.00 175.26 177.33 2e5o s PHE 71 N -2.62 -0.77 0.97 4.83 0.08 -1.26 -4.90 117.98 114.31 2e5o s PHE 71 Ca 0.37 1.81 -0.12 0.00 0.12 0.00 0.00 56.93 59.12 2e5o s PHE 71 Cb 0.05 0.29 0.17 0.00 -0.57 0.00 0.00 43.02 42.96 2e5o s PHE 71 CO 0.20 -0.41 1.09 -1.25 -0.10 0.00 0.00 175.22 174.75 2e5o s PRO 72 N 0.16 0.68 0.05 0.24 0.04 -1.26 -4.99 135.00 129.93 2e5o s PRO 72 Ca -0.02 0.61 0.19 0.00 0.04 0.00 0.00 61.00 61.83 2e5o s PRO 72 Cb -0.04 -1.76 -0.15 0.00 0.04 0.00 0.00 34.50 32.59 2e5o s PRO 72 CO 0.02 -2.59 0.74 -1.71 0.04 0.00 0.00 177.00 173.51 2e5o n ASN 73 N -4.09 0.62 -4.03 6.66 5.15 -1.26 -4.98 115.26 113.32 2e5o n ASN 73 Ca 0.06 0.26 -0.10 0.00 -0.60 0.00 0.00 54.58 54.20 2e5o n ASN 73 Cb 0.57 0.64 -0.07 0.00 -0.53 0.00 0.00 39.78 40.39 2e5o n ASN 73 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2e5o s ASP 74 N -5.42 0.05 -0.43 1.20 1.47 -1.26 -5.13 116.67 107.15 2e5o s ASP 74 Ca -0.04 -1.01 0.02 0.00 1.18 0.00 0.00 52.55 52.70 2e5o s ASP 74 Cb 0.10 0.45 0.14 0.00 -0.34 0.00 0.00 42.92 43.27 2e5o s ASP 74 CO 0.83 -0.94 0.26 -0.31 0.68 0.00 0.00 175.17 175.68 2e5o s TYR 75 N -4.03 1.62 1.00 2.11 1.51 -1.26 -5.05 117.35 113.25 2e5o s TYR 75 Ca 0.23 -2.24 -0.12 0.00 -1.01 0.00 0.00 57.07 53.93 2e5o s TYR 75 Cb 0.03 -1.56 0.19 0.00 -0.11 0.00 0.00 41.96 40.51 2e5o s TYR 75 CO 0.05 -0.79 1.09 -1.25 -1.11 0.00 0.00 175.55 173.54 2e5o s PRO 76 N 0.43 0.45 -0.01 -1.71 0.04 -1.26 -4.83 135.00 128.11 2e5o s PRO 76 Ca 0.20 0.54 0.01 0.00 0.04 0.00 0.00 61.00 61.78 2e5o s PRO 76 Cb -0.20 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.61 2e5o s PRO 76 CO -0.03 -2.72 -0.03 -1.54 0.04 0.00 0.00 177.00 172.72 2e5o s SER 77 N -3.44 0.49 -0.61 6.66 1.04 -1.26 -4.74 113.70 111.83 2e5o s SER 77 Ca 0.65 -0.07 -0.02 0.00 0.48 0.00 0.00 55.95 57.00 2e5o s SER 77 Cb -0.19 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2e5o s SER 77 CO 0.58 0.00 0.52 0.61 0.98 0.00 0.00 173.24 175.93 2e5o n GLY 78 N 3.35 0.12 3.38 7.32 0.00 0.30 -4.79 105.19 114.87 2e5o n GLY 78 Ca -0.17 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.61 3.93 0.00 0.00 0.20 -0.92 -0.88 118.68 119.41 2e5o s LEU 80 Ca -0.09 1.18 0.00 0.00 0.69 0.00 0.00 54.13 55.92 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 0.03 -0.96 0.00 0.18 -0.29 0.00 0.00 176.35 175.30 2e5o n LEU 81 N 7.20 0.03 0.00 -0.68 4.77 -0.72 -4.01 117.00 123.59 2e5o n LEU 81 Ca 0.13 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2e5o n LEU 81 Cb 0.47 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2e5o n LEU 81 CO 0.61 -0.49 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2e5o n GLY 82 N 1.91 5.06 3.36 -0.72 0.00 -0.80 -1.33 105.19 112.67 2e5o n GLY 82 Ca 0.00 -0.72 -0.10 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 -3.83 0.02 -0.39 0.00 -7.23 0.12 -2.62 120.40 106.47 2e5o s VAL 84 Ca 0.05 -0.20 -0.21 0.00 -1.81 0.00 0.00 61.98 59.81 2e5o s VAL 84 Cb 0.01 -0.64 0.01 0.00 0.56 0.00 0.00 36.38 36.33 2e5o s VAL 84 CO -0.09 -0.11 0.68 -0.62 -0.31 0.00 0.00 175.10 174.65 2e5o s ASP 85 N -0.58 6.42 -0.73 4.85 -1.08 0.81 0.44 116.67 126.80 2e5o s ASP 85 Ca -0.07 0.02 -0.26 0.00 -0.52 0.00 0.00 52.55 51.72 2e5o s ASP 85 Cb -0.04 -2.34 0.01 0.00 -1.46 0.00 0.00 42.92 39.09 2e5o s ASP 85 CO 0.03 -0.70 1.58 -0.22 0.52 0.00 0.00 175.17 176.38 2e5o s LEU 86 N 2.87 3.24 0.05 -1.34 0.20 0.24 -0.02 118.68 123.92 2e5o s LEU 86 Ca 0.26 -0.26 -0.21 0.00 0.69 0.00 0.00 54.13 54.60 2e5o s LEU 86 Cb -0.14 -2.55 -0.13 0.00 -0.43 0.00 0.00 46.19 42.94 2e5o s LEU 86 CO 0.17 -2.10 1.44 0.16 -0.29 0.00 0.00 176.35 175.74 2e5o h ILE 87 N 6.55 1.28 -2.64 6.68 -2.65 -1.26 -2.91 117.51 122.57 2e5o h ILE 87 Ca -0.19 -0.96 0.11 0.00 1.03 0.00 0.00 64.86 64.86 2e5o h ILE 87 Cb 1.09 1.63 -0.08 0.00 -2.05 0.00 0.00 36.82 37.41 2e5o h ILE 87 CO 1.26 0.28 0.37 -1.81 0.03 0.00 0.00 178.15 178.28 2e5o s ASP 88 N -5.84 -0.26 -0.29 2.16 1.01 -1.19 -4.91 116.67 107.35 2e5o s ASP 88 Ca -0.14 -0.41 0.01 0.00 0.71 0.00 0.00 52.55 52.72 2e5o s ASP 88 Cb 0.05 0.58 0.09 0.00 1.01 0.00 0.00 42.92 44.65 2e5o s ASP 88 CO 0.72 -1.05 0.04 0.00 0.21 0.00 0.00 175.17 175.10 2e5o s LEU 90 N 1.39 3.91 0.40 0.00 1.43 -0.22 -4.88 118.68 120.72 2e5o s LEU 90 Ca 0.05 -0.24 0.08 0.00 -1.03 0.00 0.00 54.13 52.99 2e5o s LEU 90 Cb -0.18 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.32 2e5o s LEU 90 CO -0.15 -0.46 0.38 -0.55 0.23 0.00 0.00 176.35 175.80 2e5o s SER 91 N -4.18 5.15 0.65 2.29 0.15 -1.26 0.11 113.70 116.61 2e5o s SER 91 Ca 0.46 -0.67 0.15 0.00 0.70 0.00 0.00 55.95 56.59 2e5o s SER 91 Cb -0.09 -0.66 0.74 0.00 -1.71 0.00 0.00 66.02 64.30 2e5o s SER 91 CO 0.31 -0.61 1.40 1.56 1.20 0.00 0.00 173.24 177.10 2e5o h GLN 92 N 1.04 0.00 0.00 5.44 1.08 -0.35 1.17 115.11 123.49 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 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2e5o h GLN 92 CO 0.56 0.00 -0.25 -0.22 -0.95 0.00 0.00 178.83 177.98 2e5o h LYS 93 N 0.00 0.00 -0.05 1.46 3.64 -1.93 -3.34 116.57 116.36 2e5o h LYS 93 Ca 0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2e5o h LYS 93 Cb 1.61 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.43 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 -0.63 0.09 -0.79 1.90 4.20 -1.61 -1.26 115.11 117.01 2e5o h GLN 94 Ca 0.00 -0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.80 2e5o h GLN 94 Cb 0.25 -0.01 -0.13 0.00 0.30 0.00 0.00 27.48 27.89 2e5o h GLN 94 CO 0.00 0.39 -0.41 0.35 -0.67 0.00 0.00 178.83 178.50 2e5o h PHE 95 N -0.23 -1.17 -0.47 2.96 3.57 0.11 0.37 116.94 122.08 2e5o h PHE 95 Ca 0.01 0.09 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 2e5o h PHE 95 Cb 0.36 0.62 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2e5o h PHE 95 CO 0.04 -0.40 -0.21 1.57 -2.23 0.00 0.00 178.31 177.08 2e5o h LYS 96 N -0.10 0.97 0.47 1.11 2.10 -1.67 0.75 116.57 120.21 2e5o h LYS 96 Ca 0.26 -0.42 -0.01 0.00 -2.00 0.00 0.00 60.65 58.48 2e5o h LYS 96 Cb 0.56 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.83 2e5o h LYS 96 CO -0.83 1.09 -0.50 0.93 -2.00 0.00 0.00 179.45 178.14 2e5o h GLU 97 N 0.82 -0.94 0.00 0.07 5.08 0.45 0.47 114.58 120.53 2e5o h GLU 97 Ca 0.11 0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2e5o h GLU 97 Cb 0.79 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2e5o h GLU 97 CO 0.07 -0.63 -0.15 1.96 -1.00 0.00 0.00 179.01 179.25 2e5o h GLN 98 N -0.98 0.10 -2.44 2.33 4.20 -0.45 -3.37 115.11 114.50 2e5o h GLN 98 Ca -0.06 -0.11 -0.69 0.00 0.06 0.00 0.00 58.65 57.85 2e5o h GLN 98 Cb 0.86 0.03 -0.35 0.00 0.30 0.00 0.00 27.48 28.32 2e5o h GLN 98 CO -0.08 0.88 0.07 1.19 -0.67 0.00 0.00 178.83 180.21 2e5o n PHE 99 N -4.58 3.16 0.44 2.96 3.01 0.26 -4.82 117.46 117.89 2e5o n PHE 99 Ca -0.10 -3.40 0.09 0.00 1.01 0.00 0.00 57.45 55.05 2e5o n PHE 99 Cb 0.46 -0.85 0.39 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 0.65 0.09 0.20 -1.08 -0.04 0.16 -2.33 135.00 132.66 2e5o n PRO 100 Ca 0.31 0.34 0.08 0.00 -0.04 0.00 0.00 63.50 64.20 2e5o n PRO 100 Cb 0.36 -1.68 0.24 0.00 -0.04 0.00 0.00 33.50 32.38 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 -3.23 116.42 118.18 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 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2e5o h ASP 101 CO 0.00 0.25 -0.17 2.30 -1.72 0.00 0.00 179.24 179.90 2e5o n ILE 102 N -3.23 1.76 0.30 0.35 -5.35 -0.98 -4.72 119.36 107.49 2e5o n ILE 102 Ca 0.02 -2.25 0.18 0.00 -0.27 0.00 0.00 62.75 60.43 2e5o n ILE 102 Cb 0.56 -0.15 0.97 0.00 -1.74 0.00 0.00 39.64 39.28 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 0.23 0.00 0.26 7.28 4.64 -1.53 -2.18 113.55 122.25 2e5o h SER 103 Ca -0.01 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.98 2e5o h SER 103 Cb 1.05 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.09 2e5o h SER 103 CO 0.00 0.03 -2.02 0.00 -0.87 0.00 0.00 176.83 173.97 2e5o n GLN 104 N -3.38 0.66 -0.37 4.77 -0.00 -1.26 -4.24 117.38 113.57 2e5o n GLN 104 Ca -0.02 0.17 0.28 0.00 -0.00 0.00 0.00 57.00 57.43 2e5o n GLN 104 Cb 0.14 -1.67 0.55 0.00 -0.00 0.00 0.00 30.24 29.26 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 0.26 -4.92 2.61 5.08 -1.71 -3.38 114.58 112.53 2e5o h GLU 105 Ca -0.41 -0.02 -0.51 0.00 -1.00 0.00 0.00 59.36 57.43 2e5o h GLU 105 Cb 2.10 -0.06 -0.32 0.00 0.50 0.00 0.00 28.75 30.98 2e5o h GLU 105 CO 0.05 0.17 -0.82 -1.12 -1.00 0.00 0.00 179.01 176.30 2e5o s SER 106 N -4.90 1.78 -0.21 1.42 0.01 -1.24 -4.96 113.70 105.60 2e5o s SER 106 Ca -0.09 -0.29 0.06 0.00 1.31 0.00 0.00 55.95 56.95 2e5o s SER 106 Cb 0.28 -0.56 -0.21 0.00 0.21 0.00 0.00 66.02 65.74 2e5o s SER 106 CO 0.80 0.10 0.01 -0.67 0.41 0.00 0.00 173.24 173.89 2e5o n ASP 107 N 3.33 1.33 -3.98 2.44 -0.08 -1.26 -4.88 116.55 113.46 2e5o n ASP 107 Ca -0.19 -0.01 -0.36 0.00 -1.51 0.00 0.00 54.79 52.72 2e5o n ASP 107 Cb 0.53 -0.03 0.04 0.00 2.34 0.00 0.00 41.12 44.00 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 -3.12 -6.00 -0.04 1.67 7.64 -1.26 -4.89 113.62 107.61 2e5o n SER 108 Ca -0.38 0.18 -0.13 0.00 1.01 0.00 0.00 58.87 59.55 2e5o n SER 108 Cb 1.05 -0.76 -0.08 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.99 0.25 -4.37 1.43 0.13 -1.93 -3.40 132.00 123.12 2e5o h PRO 109 Ca -0.44 -0.13 -0.72 0.00 -0.87 0.00 0.00 66.00 63.84 2e5o h PRO 109 Cb 1.29 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.13 2e5o h PRO 109 CO 0.23 0.67 -0.43 -0.06 -0.23 0.00 0.00 178.00 178.17 2e5o s PHE 110 N -4.29 3.41 0.13 1.56 0.08 -0.91 0.32 117.98 118.27 2e5o s PHE 110 Ca -0.15 -1.80 -0.22 0.00 0.12 0.00 0.00 56.93 54.89 2e5o s PHE 110 Cb 0.04 -3.27 -0.07 0.00 -0.57 0.00 0.00 43.02 39.15 2e5o s PHE 110 CO 0.73 -0.94 0.68 0.08 -0.10 0.00 0.00 175.22 175.67 2e5o s VAL 111 N 1.37 4.55 -0.36 -0.44 1.01 0.30 -2.76 120.40 124.06 2e5o s VAL 111 Ca 0.05 1.44 -0.08 0.00 0.00 0.00 0.00 61.98 63.38 2e5o s VAL 111 Cb -0.25 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.17 2e5o s VAL 111 CO -0.00 0.49 0.16 -0.36 0.00 0.00 0.00 175.10 175.39 2e5o s PHE 112 N -1.18 3.26 -0.18 5.22 0.08 0.87 -1.06 117.98 124.98 2e5o s PHE 112 Ca 0.34 -1.27 -0.29 0.00 0.12 0.00 0.00 56.93 55.83 2e5o s PHE 112 Cb -0.21 -2.40 -0.00 0.00 -0.57 0.00 0.00 43.02 39.84 2e5o s PHE 112 CO 0.23 -0.71 1.13 0.42 -0.10 0.00 0.00 175.22 176.18 2e5o s ILE 113 N 1.46 4.52 0.17 0.64 1.01 0.12 -0.48 121.20 128.64 2e5o s ILE 113 Ca 0.00 1.83 0.09 0.00 0.00 0.00 0.00 60.65 62.57 2e5o s ILE 113 Cb -0.20 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 2e5o s ILE 113 CO 0.04 -0.14 -0.19 0.00 0.00 0.00 0.00 174.94 174.65 2e5o s LYS 115 N -2.77 1.67 -1.23 0.00 -0.14 0.97 -4.65 119.74 113.59 2e5o s LYS 115 Ca 0.16 -1.91 -0.03 0.00 -1.36 0.00 0.00 55.97 52.84 2e5o s LYS 115 Cb -0.06 0.33 -0.01 0.00 -1.68 0.00 0.00 37.83 36.41 2e5o s LYS 115 CO 0.07 -0.62 0.81 0.09 -0.76 0.00 0.00 175.35 174.94 2e5o n ASN 116 N -1.28 -2.53 -4.64 2.83 3.02 -1.26 -0.13 115.26 111.26 2e5o n ASN 116 Ca 0.06 -0.77 -0.43 0.00 -0.03 0.00 0.00 54.58 53.41 2e5o n ASN 116 Cb 0.63 -4.42 -0.03 0.00 -0.61 0.00 0.00 39.78 35.35 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 -5.60 3.94 -0.04 3.52 0.04 -1.26 -4.49 135.00 131.11 2e5o s PRO 117 Ca 0.11 1.79 0.02 0.00 0.04 0.00 0.00 61.00 62.96 2e5o s PRO 117 Cb -0.02 -3.99 0.01 0.00 0.04 0.00 0.00 34.50 30.53 2e5o s PRO 117 CO 0.79 -1.11 -0.10 1.14 0.04 0.00 0.00 177.00 177.75 2e5o s GLN 118 N 4.37 1.22 -0.25 4.56 -2.07 -1.08 -4.77 119.66 121.65 2e5o s GLN 118 Ca 0.70 -0.34 -0.13 0.00 -1.82 0.00 0.00 55.36 53.76 2e5o s GLN 118 Cb -0.26 -1.09 -0.04 0.00 -1.09 0.00 0.00 33.01 30.52 2e5o s GLN 118 CO 0.27 0.09 0.27 -2.00 -1.32 0.00 0.00 175.29 172.60 2e5o s GLU 119 N 0.37 4.04 0.73 9.60 -6.30 -1.20 -1.81 118.70 124.12 2e5o s GLU 119 Ca -0.07 -0.11 -0.15 0.00 -2.50 0.00 0.00 54.97 52.14 2e5o s GLU 119 Cb -0.11 -3.61 0.04 0.00 0.00 0.00 0.00 34.13 30.45 2e5o s GLU 119 CO 0.01 -0.12 1.20 -1.64 0.02 0.00 0.00 175.26 174.73 2e5o s MET 120 N 1.59 2.17 0.21 4.30 -1.94 -0.45 -4.57 119.30 120.62 2e5o s MET 120 Ca 0.12 1.74 0.09 0.00 -1.71 0.00 0.00 55.69 55.92 2e5o s MET 120 Cb -0.15 -1.84 0.14 0.00 2.01 0.00 0.00 34.83 34.99 2e5o s MET 120 CO 0.08 -1.81 1.49 0.28 -0.01 0.00 0.00 175.02 175.05 2e5o h VAL 121 N -0.29 1.55 -4.13 -6.03 2.07 -1.78 -3.45 116.25 104.19 2e5o h VAL 121 Ca -0.48 -2.61 -0.47 0.00 0.82 0.00 0.00 66.70 63.96 2e5o h VAL 121 Cb 1.29 2.41 -0.27 0.00 -1.52 0.00 0.00 31.29 33.20 2e5o h VAL 121 CO 0.50 0.75 -0.80 0.54 0.02 0.00 0.00 177.57 178.57 2e5o s VAL 122 N -3.27 1.11 -0.08 2.57 0.11 -1.26 -5.13 120.40 114.44 2e5o s VAL 122 Ca -0.00 -0.76 -0.01 0.00 -2.93 0.00 0.00 61.98 58.27 2e5o s VAL 122 Cb 0.12 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 2e5o s VAL 122 CO 0.78 0.19 -0.01 -0.54 -3.33 0.00 0.00 175.10 172.19 2e5o s LYS 123 N -0.66 2.94 -0.04 1.54 1.02 -1.26 -4.93 119.74 118.35 2e5o s LYS 123 Ca 0.04 -0.43 -0.01 0.00 0.02 0.00 0.00 55.97 55.58 2e5o s LYS 123 Cb -0.06 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 2e5o s LYS 123 CO 0.00 0.70 0.05 -0.06 -0.92 0.00 0.00 175.35 175.12 2e5o s PHE 124 N -0.87 3.26 -1.10 3.18 0.08 -1.26 -4.87 117.98 116.39 2e5o s PHE 124 Ca 0.13 0.23 -0.23 0.00 0.12 0.00 0.00 56.93 57.18 2e5o s PHE 124 Cb -0.11 -1.77 -0.08 0.00 -0.57 0.00 0.00 43.02 40.49 2e5o s PHE 124 CO 0.02 0.54 1.94 -1.25 -0.10 0.00 0.00 175.22 176.37 2e5o s PRO 125 N -1.35 2.51 0.20 0.24 0.04 -1.26 -2.16 135.00 133.23 2e5o s PRO 125 Ca 0.18 -0.92 0.11 0.00 0.04 0.00 0.00 61.00 60.41 2e5o s PRO 125 Cb -0.12 -5.19 -0.04 0.00 0.04 0.00 0.00 34.50 29.19 2e5o s PRO 125 CO 0.08 -3.81 -0.22 0.96 0.04 0.00 0.00 177.00 174.06 2e5o s ILE 126 N 10.75 2.23 -0.04 0.56 -5.25 -0.73 -4.96 121.20 123.76 2e5o s ILE 126 Ca 0.69 -2.09 -0.09 0.00 -0.99 0.00 0.00 60.65 58.17 2e5o s ILE 126 Cb -0.02 -2.09 -0.05 0.00 2.95 0.00 0.00 42.46 43.25 2e5o s ILE 126 CO 0.09 -0.24 0.27 -1.59 -1.79 0.00 0.00 174.94 171.68 2e5o s LYS 127 N -2.90 3.63 0.29 0.37 -2.85 -1.26 -2.57 119.74 114.45 2e5o s LYS 127 Ca 0.21 0.06 0.07 0.00 -1.00 0.00 0.00 55.97 55.31 2e5o s LYS 127 Cb -0.07 -3.16 -0.03 0.00 -2.06 0.00 0.00 37.83 32.52 2e5o s LYS 127 CO 0.10 0.71 0.29 0.20 0.10 0.00 0.00 175.35 176.74 2e5o s GLY 128 N -1.27 1.53 0.08 0.59 0.00 -1.26 -5.01 107.32 101.99 2e5o s GLY 128 Ca 0.22 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.46 2e5o s GLY 128 CO 0.11 -1.46 -0.04 -1.31 0.00 0.00 0.00 173.10 170.40 2e5o s ASN 129 N -3.96 0.80 0.00 1.64 0.01 -1.26 -4.92 114.94 107.26 2e5o s ASN 129 Ca 0.37 -1.03 0.12 0.00 -0.71 0.00 0.00 52.86 51.61 2e5o s ASN 129 Cb -0.07 0.16 0.70 0.00 0.41 0.00 0.00 41.25 42.44 2e5o s ASN 129 CO 0.27 -0.55 1.13 -0.81 -1.51 0.00 0.00 177.10 175.63 2e5o n PRO 130 N 0.01 0.49 -3.22 -0.60 -0.04 -1.26 -4.03 135.00 126.34 2e5o n PRO 130 Ca -0.12 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.22 2e5o n PRO 130 Cb 0.61 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.87 0.39 -3.00 0.54 4.76 -1.26 -4.96 118.16 113.76 2e5o n LYS 131 Ca 0.09 -1.80 -0.40 0.00 -2.87 0.00 0.00 58.31 53.33 2e5o n LYS 131 Cb 0.04 1.30 -0.05 0.00 -1.84 0.00 0.00 35.03 34.49 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 -2.60 4.81 -0.03 -0.18 1.01 -1.26 -4.55 121.20 118.39 2e5o s ILE 132 Ca 0.18 1.58 -0.01 0.00 0.00 0.00 0.00 60.65 62.40 2e5o s ILE 132 Cb 0.01 -4.09 0.03 0.00 0.01 0.00 0.00 42.46 38.42 2e5o s ILE 132 CO 0.13 0.34 0.05 -1.66 0.00 0.00 0.00 174.94 173.80 2e5o s TRP 133 N 0.13 0.01 0.08 3.97 1.48 -1.21 -5.04 118.94 118.37 2e5o s TRP 133 Ca 0.38 0.20 -0.33 0.00 -1.06 0.00 0.00 56.10 55.29 2e5o s TRP 133 Cb -0.20 -0.26 -0.12 0.00 -1.16 0.00 0.00 33.47 31.73 2e5o s TRP 133 CO 0.22 -0.12 1.73 1.17 -4.06 0.00 0.00 176.95 175.89 2e5o n LYS 134 N 4.38 2.33 -0.38 3.25 4.81 -1.26 -3.25 118.16 128.04 2e5o n LYS 134 Ca -0.24 0.85 -0.29 0.00 -0.87 0.00 0.00 58.31 57.76 2e5o n LYS 134 Cb 0.50 -2.67 0.28 0.00 0.02 0.00 0.00 35.03 33.16 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 4.89 -1.41 -4.70 3.14 4.77 -1.24 -4.94 117.00 117.51 2e5o n LEU 135 Ca 0.19 -0.44 -0.41 0.00 -0.03 0.00 0.00 56.01 55.31 2e5o n LEU 135 Cb 0.31 -1.16 -0.03 0.00 -2.33 0.00 0.00 43.42 40.20 2e5o n LEU 135 CO 0.67 -3.83 0.63 -0.62 -1.33 0.00 0.00 177.39 172.91 2e5o s ASP 136 N -2.62 7.16 0.32 -1.43 -1.08 -1.26 -4.86 116.67 112.90 2e5o s ASP 136 Ca 0.69 1.41 0.19 0.00 -0.52 0.00 0.00 52.55 54.32 2e5o s ASP 136 Cb -0.21 -2.51 1.14 0.00 -1.46 0.00 0.00 42.92 39.88 2e5o s ASP 136 CO 0.63 -0.30 1.31 -1.20 0.52 0.00 0.00 175.17 176.12 2e5o n SER 137 N 4.44 0.27 -0.00 -0.34 7.64 -1.26 0.23 113.62 124.60 2e5o n SER 137 Ca 0.05 1.34 -0.18 0.00 1.01 0.00 0.00 58.87 61.09 2e5o n SER 137 Cb 0.50 -0.65 -0.09 0.00 -1.01 0.00 0.00 64.21 62.96 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 0.64 -0.54 1.43 1.79 -2.02 -3.28 116.57 114.58 2e5o h LYS 138 Ca 0.71 -0.58 -0.05 0.00 -2.18 0.00 0.00 60.65 58.55 2e5o h LYS 138 Cb 1.95 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 32.72 2e5o h LYS 138 CO -0.59 1.19 0.14 0.82 -1.08 0.00 0.00 179.45 179.93 2e5o h ILE 139 N 0.29 1.24 -0.65 1.86 1.08 0.26 -3.14 117.51 118.45 2e5o h ILE 139 Ca -0.07 -0.85 0.06 0.00 -0.39 0.00 0.00 64.86 63.61 2e5o h ILE 139 Cb 1.39 0.77 -0.08 0.00 -3.07 0.00 0.00 36.82 35.83 2e5o h ILE 139 CO 0.15 0.31 -0.40 -0.74 -0.69 0.00 0.00 178.15 176.78 2e5o h HIS 140 N 0.76 -1.28 0.01 1.37 2.76 -0.58 0.14 115.15 118.34 2e5o h HIS 140 Ca 0.17 0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.43 2e5o h HIS 140 Cb 0.33 0.64 -0.00 0.00 1.55 0.00 0.00 27.41 29.93 2e5o h HIS 140 CO 0.02 -0.26 -0.02 1.96 -1.30 0.00 0.00 177.93 178.33 2e5o h GLN 141 N -0.02 -0.03 -0.79 5.26 4.20 -1.67 -1.89 115.11 120.17 2e5o h GLN 141 Ca 0.10 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.96 2e5o h GLN 141 Cb 0.29 0.01 -0.14 0.00 0.30 0.00 0.00 27.48 27.94 2e5o h GLN 141 CO -0.62 -0.02 -0.24 0.41 -0.67 0.00 0.00 178.83 177.69 2e5o n GLY 142 N -1.02 -1.44 0.20 3.46 0.00 -1.02 0.12 105.19 105.49 2e5o n GLY 142 Ca -0.00 0.86 -0.03 0.00 0.00 0.00 0.00 46.02 46.84 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 1.38 0.59 0.00 4.61 0.00 -0.48 0.87 119.26 126.23 2e5o h ALA 143 Ca 0.34 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 2e5o h ALA 143 Cb 0.53 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2e5o h ALA 143 CO -0.80 -0.24 -0.04 0.87 0.00 0.00 0.00 179.25 179.04 2e5o h LYS 144 N 0.33 0.00 0.00 0.00 1.57 0.17 -2.93 116.57 115.72 2e5o h LYS 144 Ca 0.24 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2e5o h LYS 144 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2e5o h LYS 144 CO -0.25 0.04 -0.04 0.87 -0.57 0.00 0.00 179.45 179.50 2e5o h LYS 145 N 0.00 0.00 -0.90 3.15 1.79 0.39 -3.30 116.57 117.71 2e5o h LYS 145 Ca -0.00 0.00 0.26 0.00 -2.18 0.00 0.00 60.65 58.73 2e5o h LYS 145 Cb 0.15 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 2e5o h LYS 145 CO 0.01 0.69 1.16 0.41 -1.08 0.00 0.00 179.45 180.64 2e5o n GLY 146 N 1.66 -0.71 1.46 3.86 0.00 -0.21 0.12 105.19 111.36 2e5o n GLY 146 Ca -0.08 0.31 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 2e5o n GLY 146 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2e5o n LEU 147 N -3.09 4.92 -0.09 0.99 4.77 -1.24 -2.58 117.00 120.67 2e5o n LEU 147 Ca 0.20 -2.36 -0.16 0.00 -0.03 0.00 0.00 56.01 53.66 2e5o n LEU 147 Cb 1.43 -0.91 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 2e5o n LEU 147 CO 0.20 0.90 -1.16 1.15 -1.33 0.00 0.00 177.39 177.15 2e5o n MET 148 N 0.87 0.68 -3.34 3.23 0.00 0.12 -4.73 117.12 113.93 2e5o n MET 148 Ca 0.08 0.14 -0.26 0.00 0.00 0.00 0.00 57.70 57.67 2e5o n MET 148 Cb 0.57 -1.57 -0.08 0.00 0.00 0.00 0.00 33.22 32.13 2e5o n MET 148 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2e5o n LYS 149 N -3.17 1.00 -1.00 3.17 4.81 -1.25 -5.12 118.16 116.60 2e5o n LYS 149 Ca -0.39 -3.58 -0.29 0.00 -0.87 0.00 0.00 58.31 53.18 2e5o n LYS 149 Cb 1.04 -1.61 0.22 0.00 0.02 0.00 0.00 35.03 34.71 2e5o n LYS 149 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2e5o s GLN 150 N -1.13 -0.69 1.05 1.64 -1.52 -1.26 -4.72 119.66 113.03 2e5o s GLN 150 Ca 0.34 0.27 -0.23 0.00 -1.95 0.00 0.00 55.36 53.80 2e5o s GLN 150 Cb 0.12 -1.63 -0.05 0.00 -0.22 0.00 0.00 33.01 31.22 2e5o s GLN 150 CO -0.12 -3.43 -0.78 0.09 -0.25 0.00 0.00 175.29 170.80 2e5o n ASN 151 N -4.62 -2.83 -0.23 5.90 3.02 -1.26 -4.77 115.26 110.47 2e5o n ASN 151 Ca 0.08 -0.04 -0.03 0.00 -0.03 0.00 0.00 54.58 54.57 2e5o n ASN 151 Cb 0.58 -0.73 0.08 0.00 -0.61 0.00 0.00 39.78 39.10 2e5o n ASN 151 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2e5o h LYS 152 N -1.49 0.72 -0.05 3.52 1.63 -2.02 -2.69 116.57 116.19 2e5o h LYS 152 Ca -0.46 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.33 2e5o h LYS 152 Cb 1.38 -0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 32.81 2e5o h LYS 152 CO 0.29 0.48 -0.16 0.00 -3.45 0.00 0.00 179.45 176.61 2e5o h ALA 153 N 1.32 -0.15 -0.02 5.00 0.00 -2.03 -3.56 119.26 119.82 2e5o h ALA 153 Ca 0.28 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2e5o h ALA 153 Cb 0.11 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2e5o h ALA 153 CO -0.14 -0.64 0.00 0.28 0.00 0.00 0.00 179.25 178.75