#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8q n SER 2 N 0.00 -0.66 -4.28 1.61 2.88 -1.26 -5.11 113.62 106.79 1b8q n SER 2 Ca 0.00 0.34 -0.34 0.00 -1.33 0.00 0.00 58.87 57.53 1b8q n SER 2 Cb 0.00 0.87 -0.14 0.00 -0.75 0.00 0.00 64.21 64.18 1b8q n SER 2 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1b8q s HIS 3 N -2.00 2.92 0.56 0.66 0.09 -1.26 -5.02 115.29 111.24 1b8q s HIS 3 Ca 0.00 -1.04 0.00 0.00 -0.00 0.00 0.00 55.06 54.02 1b8q s HIS 3 Cb 0.00 -2.05 0.00 0.00 -0.00 0.00 0.00 32.58 30.53 1b8q s HIS 3 CO 0.00 -0.57 0.00 -1.33 -0.00 0.00 0.00 174.74 172.84 1b8q n MET 4 N 4.67 -3.01 -2.57 1.40 0.00 -1.26 -4.94 117.12 111.40 1b8q n MET 4 Ca -0.19 2.46 0.00 0.00 0.00 0.00 0.00 57.70 59.97 1b8q n MET 4 Cb 0.51 -3.52 0.00 0.00 0.00 0.00 0.00 33.22 30.20 1b8q n MET 4 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 1b8q n ILE 5 N -4.12 -0.83 0.14 2.02 0.13 -0.21 -4.92 119.36 111.58 1b8q n ILE 5 Ca -0.08 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.57 1b8q n ILE 5 Cb 0.62 -2.09 0.00 0.00 -0.84 0.00 0.00 39.64 37.33 1b8q n ILE 5 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1b8q n GLU 6 N 2.29 0.00 -1.14 9.51 1.02 -1.26 -4.69 120.64 126.36 1b8q n GLU 6 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 1b8q n GLU 6 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1b8q n GLU 6 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1b8q n PRO 7 N -3.06 0.00 -0.10 3.49 -0.02 -1.26 -4.86 135.00 129.19 1b8q n PRO 7 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 1b8q n PRO 7 Cb 0.00 -0.86 0.21 0.00 -0.02 0.00 0.00 33.50 32.83 1b8q n PRO 7 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1b8q h ASN 8 N 1.02 0.72 -4.02 2.55 2.35 -2.00 -3.43 115.58 112.77 1b8q h ASN 8 Ca -0.25 -0.13 -0.45 0.00 -0.55 0.00 0.00 56.30 54.92 1b8q h ASN 8 Cb 1.16 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.33 1b8q h ASN 8 CO 0.47 0.73 0.35 -0.69 -1.65 0.00 0.00 177.43 176.64 1b8q s VAL 9 N -5.15 4.25 0.25 2.81 1.01 -1.26 -4.38 120.40 117.93 1b8q s VAL 9 Ca -0.09 1.51 0.11 0.00 0.00 0.00 0.00 61.98 63.50 1b8q s VAL 9 Cb 0.15 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 1b8q s VAL 9 CO 0.79 -0.20 -0.18 -0.63 0.00 0.00 0.00 175.10 174.88 1b8q s ILE 10 N -2.01 2.24 0.63 2.22 1.09 0.25 -5.00 121.20 120.60 1b8q s ILE 10 Ca 0.60 -2.32 0.01 0.00 -1.10 0.00 0.00 60.65 57.84 1b8q s ILE 10 Cb -0.12 -2.20 0.08 0.00 -1.06 0.00 0.00 42.46 39.15 1b8q s ILE 10 CO 0.17 -0.44 0.87 -0.44 -0.10 0.00 0.00 174.94 175.00 1b8q s SER 11 N -3.39 4.87 0.10 3.58 0.01 -1.19 0.69 113.70 118.38 1b8q s SER 11 Ca 0.27 -0.18 -0.24 0.00 1.31 0.00 0.00 55.95 57.11 1b8q s SER 11 Cb -0.04 -0.47 0.07 0.00 0.21 0.00 0.00 66.02 65.79 1b8q s SER 11 CO 0.12 -1.46 0.59 -0.69 0.41 0.00 0.00 173.24 172.21 1b8q s VAL 12 N -2.93 0.01 -0.17 3.43 1.01 0.36 -2.77 120.40 119.34 1b8q s VAL 12 Ca 0.61 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 62.45 1b8q s VAL 12 Cb -0.08 -1.01 0.07 0.00 0.00 0.00 0.00 36.38 35.36 1b8q s VAL 12 CO 0.41 -0.04 0.38 -0.60 0.00 0.00 0.00 175.10 175.25 1b8q s ARG 13 N -3.11 0.33 0.38 2.72 3.52 -1.26 0.99 118.95 122.51 1b8q s ARG 13 Ca -0.02 0.83 0.05 0.00 -0.13 0.00 0.00 55.73 56.46 1b8q s ARG 13 Cb -0.01 0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.42 1b8q s ARG 13 CO -0.07 -0.20 0.20 -0.51 -0.81 0.00 0.00 175.30 173.91 1b8q s LEU 14 N 1.82 1.87 0.15 -0.88 1.02 0.16 -4.97 118.68 117.85 1b8q s LEU 14 Ca -0.06 -1.72 0.09 0.00 0.02 0.00 0.00 54.13 52.46 1b8q s LEU 14 Cb -0.10 0.19 -0.04 0.00 0.02 0.00 0.00 46.19 46.26 1b8q s LEU 14 CO -0.12 -1.00 -0.17 0.12 0.02 0.00 0.00 176.35 175.21 1b8q s PHE 15 N -3.32 2.52 -0.25 0.29 2.19 -1.26 0.20 117.98 118.35 1b8q s PHE 15 Ca 0.31 -0.27 0.02 0.00 0.33 0.00 0.00 56.93 57.32 1b8q s PHE 15 Cb 0.02 -1.29 0.19 0.00 -1.31 0.00 0.00 43.02 40.63 1b8q s PHE 15 CO 0.20 0.44 1.17 1.63 1.83 0.00 0.00 175.22 180.49 1b8q n LYS 16 N 0.49 1.47 -2.83 10.12 5.02 -1.07 -3.72 118.16 127.64 1b8q n LYS 16 Ca -0.14 -0.81 -0.10 0.00 -2.02 0.00 0.00 58.31 55.24 1b8q n LYS 16 Cb 0.54 -1.39 -0.01 0.00 -0.02 0.00 0.00 35.03 34.15 1b8q n LYS 16 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1b8q n ARG 17 N 0.08 -2.63 -1.79 1.97 3.00 -1.26 0.15 116.66 116.18 1b8q n ARG 17 Ca 0.14 0.19 -0.04 0.00 -0.00 0.00 0.00 57.85 58.15 1b8q n ARG 17 Cb 0.76 -4.75 -0.01 0.00 0.00 0.00 0.00 32.46 28.46 1b8q n ARG 17 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1b8q n LYS 18 N -2.89 -1.92 -1.28 -0.14 0.00 -1.26 -4.43 118.16 106.24 1b8q n LYS 18 Ca -0.02 0.21 -0.03 0.00 -0.00 0.00 0.00 58.31 58.47 1b8q n LYS 18 Cb 0.52 -4.51 -0.00 0.00 -0.00 0.00 0.00 35.03 31.04 1b8q n LYS 18 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1b8q n VAL 19 N -2.01 0.00 -3.68 0.58 0.24 0.16 -4.41 118.33 109.21 1b8q n VAL 19 Ca -0.04 -0.21 -0.31 0.00 -2.04 0.00 0.00 64.34 61.74 1b8q n VAL 19 Cb 0.33 0.48 0.04 0.00 -1.47 0.00 0.00 33.84 33.21 1b8q n VAL 19 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1b8q n GLY 20 N -0.32 -1.02 2.45 7.63 0.00 0.40 -4.95 105.19 109.39 1b8q n GLY 20 Ca -0.15 0.46 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 1b8q n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8q n GLY 21 N -1.71 2.38 0.62 -0.02 0.00 -0.43 -4.95 105.19 101.08 1b8q n GLY 21 Ca -0.10 -1.29 0.40 0.00 0.00 0.00 0.00 46.02 45.03 1b8q n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1b8q h LEU 22 N 2.93 0.00 0.00 0.99 4.07 -1.77 -3.39 115.31 118.14 1b8q h LEU 22 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1b8q h LEU 22 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1b8q h LEU 22 CO 0.43 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.40 1b8q n GLY 23 N -1.82 0.98 3.40 0.83 0.00 -1.26 -0.18 105.19 107.15 1b8q n GLY 23 Ca 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 1b8q n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b8q s PHE 24 N -2.00 -0.50 0.82 1.61 -0.71 -1.26 0.33 117.98 116.27 1b8q s PHE 24 Ca 0.00 1.09 -0.11 0.00 -1.04 0.00 0.00 56.93 56.87 1b8q s PHE 24 Cb 0.00 0.22 0.11 0.00 -1.21 0.00 0.00 43.02 42.14 1b8q s PHE 24 CO 0.00 -0.37 1.17 -0.51 -1.34 0.00 0.00 175.22 174.17 1b8q s LEU 25 N -0.40 2.67 0.04 -1.99 1.43 0.26 -4.78 118.68 115.91 1b8q s LEU 25 Ca -0.05 0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 53.37 1b8q s LEU 25 Cb -0.03 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.35 1b8q s LEU 25 CO 0.03 -2.08 0.34 0.68 0.23 0.00 0.00 176.35 175.56 1b8q s VAL 26 N -3.57 0.07 -0.19 -1.59 -7.23 -1.26 -2.28 120.40 104.35 1b8q s VAL 26 Ca 0.65 -0.58 -0.03 0.00 -1.81 0.00 0.00 61.98 60.21 1b8q s VAL 26 Cb -0.08 -0.91 0.06 0.00 0.56 0.00 0.00 36.38 36.01 1b8q s VAL 26 CO 0.49 -0.32 0.05 -1.59 -0.31 0.00 0.00 175.10 173.42 1b8q s LYS 27 N -2.38 0.51 -0.02 4.82 -2.85 0.33 -4.78 119.74 115.37 1b8q s LYS 27 Ca -0.06 -0.36 0.03 0.00 -1.00 0.00 0.00 55.97 54.57 1b8q s LYS 27 Cb -0.01 -2.03 -0.03 0.00 -2.06 0.00 0.00 37.83 33.69 1b8q s LYS 27 CO -0.02 -0.66 -0.07 -2.00 0.10 0.00 0.00 175.35 172.69 1b8q s GLU 28 N 1.92 2.60 -0.02 1.78 2.12 -1.26 -1.12 118.70 124.72 1b8q s GLU 28 Ca 0.00 -0.67 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 1b8q s GLU 28 Cb -0.17 -2.52 -0.04 0.00 0.26 0.00 0.00 34.13 31.67 1b8q s GLU 28 CO -0.09 0.62 1.18 1.03 -0.54 0.00 0.00 175.26 177.47 1b8q s ARG 29 N -1.19 4.39 0.63 4.30 1.81 -1.24 -4.88 118.95 122.77 1b8q s ARG 29 Ca 0.15 1.68 0.28 0.00 -1.72 0.00 0.00 55.73 56.12 1b8q s ARG 29 Cb -0.11 -3.49 1.46 0.00 -0.45 0.00 0.00 34.95 32.36 1b8q s ARG 29 CO 0.05 -0.36 1.84 0.28 -0.68 0.00 0.00 175.30 176.43 1b8q h VAL 30 N 4.85 0.14 -0.46 3.52 2.07 -1.96 -2.70 116.25 121.71 1b8q h VAL 30 Ca -0.37 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.89 1b8q h VAL 30 Cb 1.18 0.59 -0.32 0.00 -1.52 0.00 0.00 31.29 31.22 1b8q h VAL 30 CO 0.85 0.00 -0.89 -1.54 0.02 0.00 0.00 177.57 176.01 1b8q n SER 31 N -3.19 0.52 -3.60 0.57 3.41 -1.26 -4.75 113.62 105.32 1b8q n SER 31 Ca 0.03 -2.31 -0.11 0.00 -0.26 0.00 0.00 58.87 56.21 1b8q n SER 31 Cb 0.55 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 1b8q n SER 31 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1b8q s LYS 32 N -2.37 0.64 0.13 4.33 1.02 -1.02 -5.08 119.74 117.39 1b8q s LYS 32 Ca 0.23 0.47 -0.19 0.00 0.02 0.00 0.00 55.97 56.50 1b8q s LYS 32 Cb 0.39 0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 37.97 1b8q s LYS 32 CO -0.04 -0.14 1.77 -1.35 -0.92 0.00 0.00 175.35 174.67 1b8q h PRO 33 N 3.64 0.26 -4.73 -1.68 0.11 -1.81 -3.29 132.00 124.50 1b8q h PRO 33 Ca -0.25 -0.02 -0.40 0.00 0.11 0.00 0.00 66.00 65.45 1b8q h PRO 33 Cb 1.17 -0.06 -0.10 0.00 0.11 0.00 0.00 31.00 32.12 1b8q h PRO 33 CO 0.20 0.17 1.82 -2.30 -0.21 0.00 0.00 178.00 177.67 1b8q n PRO 34 N -4.97 0.00 -4.38 1.05 -0.02 -1.26 -4.41 135.00 121.00 1b8q n PRO 34 Ca -0.02 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.18 1b8q n PRO 34 Cb 0.05 -1.15 -0.12 0.00 -0.02 0.00 0.00 33.50 32.26 1b8q n PRO 34 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1b8q s VAL 35 N 3.67 2.49 0.33 -1.45 0.11 -1.26 -3.63 120.40 120.67 1b8q s VAL 35 Ca 1.27 -1.85 -0.19 0.00 -2.93 0.00 0.00 61.98 58.28 1b8q s VAL 35 Cb -0.97 -2.17 0.04 0.00 -1.53 0.00 0.00 36.38 31.75 1b8q s VAL 35 CO 0.51 -0.04 0.76 -0.51 -3.33 0.00 0.00 175.10 172.49 1b8q s ILE 36 N -1.45 0.00 0.29 7.04 1.10 -0.28 -4.56 121.20 123.33 1b8q s ILE 36 Ca 0.19 -0.99 -0.17 0.00 -0.51 0.00 0.00 60.65 59.17 1b8q s ILE 36 Cb -0.09 -2.44 -0.09 0.00 0.15 0.00 0.00 42.46 40.00 1b8q s ILE 36 CO 0.10 0.00 0.74 -0.63 -2.11 0.00 0.00 174.94 173.04 1b8q s ILE 37 N -3.11 4.61 -0.08 2.00 1.01 -1.26 0.12 121.20 124.50 1b8q s ILE 37 Ca 0.13 1.12 0.02 0.00 0.00 0.00 0.00 60.65 61.92 1b8q s ILE 37 Cb -0.05 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 1b8q s ILE 37 CO 0.09 -0.03 -0.05 -0.24 0.00 0.00 0.00 174.94 174.71 1b8q n SER 38 N 0.07 3.38 -3.64 3.58 2.88 -0.97 -0.33 113.62 118.59 1b8q n SER 38 Ca 0.01 -0.03 -0.07 0.00 -1.33 0.00 0.00 58.87 57.45 1b8q n SER 38 Cb 0.52 0.10 -0.07 0.00 -0.75 0.00 0.00 64.21 64.02 1b8q n SER 38 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1b8q s ASP 39 N -4.50 -0.29 -0.41 -3.46 2.15 -1.26 -4.57 116.67 104.33 1b8q s ASP 39 Ca -0.09 0.53 -0.28 0.00 0.43 0.00 0.00 52.55 53.14 1b8q s ASP 39 Cb 0.03 0.53 -0.00 0.00 -0.30 0.00 0.00 42.92 43.17 1b8q s ASP 39 CO 0.21 -0.12 1.56 -0.76 -0.17 0.00 0.00 175.17 175.90 1b8q s LEU 40 N -0.02 3.53 0.03 -1.34 1.43 -1.26 0.92 118.68 121.97 1b8q s LEU 40 Ca 0.04 0.91 -0.31 0.00 -1.03 0.00 0.00 54.13 53.74 1b8q s LEU 40 Cb -0.04 -3.44 -0.17 0.00 0.03 0.00 0.00 46.19 42.57 1b8q s LEU 40 CO -0.09 -1.60 1.30 -0.29 0.23 0.00 0.00 176.35 175.91 1b8q h ILE 41 N 6.59 0.04 0.00 -0.59 6.09 -0.43 -3.42 117.51 125.79 1b8q h ILE 41 Ca -0.29 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1b8q h ILE 41 Cb 1.13 0.05 0.00 0.00 0.47 0.00 0.00 36.82 38.46 1b8q h ILE 41 CO 1.08 0.00 -0.19 -1.14 -3.07 0.00 0.00 178.15 174.84 1b8q n ARG 42 N -5.50 0.13 0.00 2.19 0.00 -1.24 -4.99 116.66 107.24 1b8q n ARG 42 Ca -0.14 0.21 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1b8q n ARG 42 Cb 0.43 -0.89 0.00 0.00 0.00 0.00 0.00 32.46 32.00 1b8q n ARG 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1b8q n GLY 43 N 1.62 1.77 0.00 5.14 0.00 -1.26 -5.02 105.19 107.44 1b8q n GLY 43 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1b8q n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8q n GLY 44 N -0.60 0.00 0.00 -0.02 0.00 -1.26 -4.24 105.19 99.06 1b8q n GLY 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1b8q n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b8q n ALA 45 N -1.39 0.00 0.27 4.61 0.00 -1.26 -4.05 120.51 118.69 1b8q n ALA 45 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1b8q n ALA 45 Cb 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.66 1b8q n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b8q h ALA 46 N -2.00 -0.65 -0.58 0.00 0.00 -0.86 -2.02 119.26 113.15 1b8q h ALA 46 Ca 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.86 1b8q h ALA 46 Cb 0.00 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 1b8q h ALA 46 CO 0.00 -0.82 0.00 1.49 0.00 0.00 0.00 179.25 179.92 1b8q h GLU 47 N -0.74 0.12 -0.71 0.00 4.22 -1.79 0.25 114.58 115.93 1b8q h GLU 47 Ca -0.07 -0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.44 1b8q h GLU 47 Cb 0.54 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1b8q h GLU 47 CO 0.11 0.08 0.47 0.37 -2.18 0.00 0.00 179.01 177.86 1b8q h GLN 48 N 0.12 0.66 -0.47 1.92 5.75 -1.67 -0.98 115.11 120.43 1b8q h GLN 48 Ca 0.30 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.80 1b8q h GLN 48 Cb 0.47 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 1b8q h GLN 48 CO -0.49 0.44 0.23 0.77 -2.65 0.00 0.00 178.83 177.13 1b8q h SER 49 N 0.68 0.33 0.00 -0.69 0.02 0.25 -3.47 113.55 110.67 1b8q h SER 49 Ca 0.31 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1b8q h SER 49 Cb 0.34 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1b8q h SER 49 CO -0.11 0.23 0.00 0.61 -1.14 0.00 0.00 176.83 176.42 1b8q n GLY 50 N -1.24 3.36 0.08 -3.77 0.00 -0.38 -4.85 105.19 98.40 1b8q n GLY 50 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1b8q n GLY 50 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1b8q h LEU 51 N 0.00 0.12 -9.65 0.99 8.10 -1.85 -3.45 115.31 109.58 1b8q h LEU 51 Ca 0.00 -0.15 -0.52 0.00 0.11 0.00 0.00 57.88 57.32 1b8q h LEU 51 Cb 0.00 -0.04 -0.03 0.00 -0.44 0.00 0.00 40.66 40.15 1b8q h LEU 51 CO 0.00 1.12 0.26 -0.63 -4.11 0.00 0.00 178.44 175.08 1b8q s ILE 52 N -2.67 4.41 -0.03 0.15 1.09 -1.26 -4.87 121.20 118.01 1b8q s ILE 52 Ca -0.02 1.87 -0.27 0.00 -1.10 0.00 0.00 60.65 61.13 1b8q s ILE 52 Cb 0.09 -4.22 0.06 0.00 -1.06 0.00 0.00 42.46 37.32 1b8q s ILE 52 CO 0.84 0.43 0.60 -1.10 -0.10 0.00 0.00 174.94 175.60 1b8q s GLN 53 N -0.64 0.98 -0.04 2.79 -0.21 -1.26 -4.52 119.66 116.77 1b8q s GLN 53 Ca 0.40 0.13 -0.30 0.00 0.02 0.00 0.00 55.36 55.61 1b8q s GLN 53 Cb -0.23 0.46 -0.05 0.00 1.00 0.00 0.00 33.01 34.18 1b8q s GLN 53 CO 0.28 -0.31 1.54 0.00 -2.12 0.00 0.00 175.29 174.68 1b8q s ALA 54 N -1.33 3.62 0.00 6.09 0.00 -1.26 -1.76 121.76 127.12 1b8q s ALA 54 Ca -0.11 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1b8q s ALA 54 Cb -0.01 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1b8q s ALA 54 CO 0.08 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1b8q n GLY 55 N 3.92 1.71 0.00 0.00 0.00 0.55 -4.90 105.19 106.47 1b8q n GLY 55 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1b8q n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b8q n ASP 56 N 0.00 0.00 -3.59 1.61 9.92 -0.72 -4.81 116.55 118.96 1b8q n ASP 56 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 1b8q n ASP 56 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 1b8q n ASP 56 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1b8q s ILE 57 N 0.00 -0.58 -0.39 0.53 1.10 -1.26 -4.84 121.20 115.76 1b8q s ILE 57 Ca 0.00 0.00 0.02 0.00 -0.51 0.00 0.00 60.65 60.16 1b8q s ILE 57 Cb 0.00 -1.00 0.16 0.00 0.15 0.00 0.00 42.46 41.77 1b8q s ILE 57 CO 0.00 0.00 0.30 -0.51 -2.11 0.00 0.00 174.94 172.62 1b8q s ILE 58 N 2.38 0.19 -0.07 2.00 1.10 -1.26 -4.87 121.20 120.67 1b8q s ILE 58 Ca -0.06 -2.15 -0.05 0.00 -0.51 0.00 0.00 60.65 57.87 1b8q s ILE 58 Cb -0.08 -1.13 -0.03 0.00 0.15 0.00 0.00 42.46 41.37 1b8q s ILE 58 CO -0.18 -1.08 0.21 0.25 -2.11 0.00 0.00 174.94 172.03 1b8q h LEU 59 N 6.23 -0.15 -9.25 8.50 5.85 -1.77 -3.37 115.31 121.34 1b8q h LEU 59 Ca 0.17 0.01 -0.59 0.00 0.84 0.00 0.00 57.88 58.30 1b8q h LEU 59 Cb 0.95 0.04 -0.14 0.00 0.37 0.00 0.00 40.66 41.88 1b8q h LEU 59 CO 0.31 0.28 -0.73 0.00 -0.34 0.00 0.00 178.44 177.96 1b8q s ALA 60 N -3.03 2.74 -0.18 1.25 0.00 -1.09 -3.27 121.76 118.16 1b8q s ALA 60 Ca -0.03 -1.93 -0.28 0.00 0.00 0.00 0.00 51.96 49.72 1b8q s ALA 60 Cb 0.00 -0.15 0.09 0.00 0.00 0.00 0.00 23.12 23.06 1b8q s ALA 60 CO 0.08 0.18 0.82 0.54 0.00 0.00 0.00 175.76 177.38 1b8q s VAL 61 N -2.61 0.00 -1.70 0.00 0.11 -1.19 -1.54 120.40 113.47 1b8q s VAL 61 Ca 0.30 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.19 1b8q s VAL 61 Cb -0.02 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 33.98 1b8q s VAL 61 CO 0.15 0.00 0.66 -0.46 -3.33 0.00 0.00 175.10 172.11 1b8q n ASN 62 N 1.64 -2.40 -2.33 3.54 0.23 0.39 0.11 115.26 116.44 1b8q n ASN 62 Ca -0.15 -1.08 -0.18 0.00 -0.53 0.00 0.00 54.58 52.65 1b8q n ASN 62 Cb 0.56 -2.49 -0.01 0.00 -2.08 0.00 0.00 39.78 35.76 1b8q n ASN 62 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1b8q n ASP 63 N -2.67 -5.20 -4.07 0.53 -0.08 -1.26 -4.92 116.55 98.88 1b8q n ASP 63 Ca 0.01 0.09 -0.34 0.00 -1.51 0.00 0.00 54.79 53.04 1b8q n ASP 63 Cb 0.52 -4.38 -0.12 0.00 2.34 0.00 0.00 41.12 39.48 1b8q n ASP 63 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1b8q s ARG 64 N -4.91 1.99 -0.88 -0.67 1.81 0.31 -5.03 118.95 111.57 1b8q s ARG 64 Ca 0.00 -2.10 -0.26 0.00 -1.72 0.00 0.00 55.73 51.65 1b8q s ARG 64 Cb 0.00 -3.49 -0.17 0.00 -0.45 0.00 0.00 34.95 30.84 1b8q s ARG 64 CO 0.00 -1.07 2.32 -0.35 -0.68 0.00 0.00 175.30 175.52 1b8q n PRO 65 N 4.07 0.41 -0.95 3.54 -0.04 -1.26 -3.18 135.00 137.59 1b8q n PRO 65 Ca 0.02 -1.12 -0.30 0.00 -0.04 0.00 0.00 63.50 62.06 1b8q n PRO 65 Cb 0.39 -3.77 -0.03 0.00 -0.04 0.00 0.00 33.50 30.06 1b8q n PRO 65 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1b8q n LEU 66 N 19.12 4.99 0.15 1.53 4.77 -1.20 -3.90 117.00 142.46 1b8q n LEU 66 Ca 0.45 -3.04 0.00 0.00 -0.03 0.00 0.00 56.01 53.39 1b8q n LEU 66 Cb 0.44 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 1b8q n LEU 66 CO 0.56 0.43 0.00 1.33 -1.33 0.00 0.00 177.39 178.37 1b8q n VAL 67 N 4.77 0.00 -1.35 4.08 0.24 -1.26 -4.49 118.33 120.31 1b8q n VAL 67 Ca 0.48 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.70 1b8q n VAL 67 Cb 0.23 -0.36 0.21 0.00 -1.47 0.00 0.00 33.84 32.45 1b8q n VAL 67 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1b8q n ASP 68 N -3.37 2.97 -4.48 -1.34 5.68 -1.25 -2.75 116.55 112.01 1b8q n ASP 68 Ca 0.00 -3.66 -0.27 0.00 -0.50 0.00 0.00 54.79 50.36 1b8q n ASP 68 Cb 0.00 -0.68 -0.09 0.00 -1.14 0.00 0.00 41.12 39.21 1b8q n ASP 68 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 1b8q s LEU 69 N -3.22 2.31 -0.38 -2.12 2.34 -1.26 -5.07 118.68 111.28 1b8q s LEU 69 Ca 0.48 -1.52 -0.28 0.00 0.06 0.00 0.00 54.13 52.86 1b8q s LEU 69 Cb 0.42 -0.51 -0.02 0.00 -0.56 0.00 0.00 46.19 45.52 1b8q s LEU 69 CO 0.04 -0.72 1.83 -0.94 -1.06 0.00 0.00 176.35 175.50 1b8q s SER 70 N -3.66 5.73 0.16 1.48 1.04 -1.26 -4.87 113.70 112.31 1b8q s SER 70 Ca 0.25 1.13 -0.29 0.00 0.48 0.00 0.00 55.95 57.52 1b8q s SER 70 Cb 0.06 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 1b8q s SER 70 CO 0.13 -1.87 1.55 0.22 0.98 0.00 0.00 173.24 174.25 1b8q h TYR 71 N 13.48 -1.56 -0.15 5.02 3.20 -1.85 0.58 116.97 135.68 1b8q h TYR 71 Ca -0.32 0.10 0.04 0.00 3.14 0.00 0.00 58.73 61.69 1b8q h TYR 71 Cb 1.17 0.77 -0.01 0.00 1.54 0.00 0.00 36.73 40.21 1b8q h TYR 71 CO 0.97 -0.43 0.13 0.38 -1.64 0.00 0.00 178.16 177.57 1b8q h ASP 72 N -0.22 0.00 0.19 -2.11 2.03 -1.95 -0.81 116.42 113.56 1b8q h ASP 72 Ca 0.15 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.17 1b8q h ASP 72 Cb 0.54 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.06 1b8q h ASP 72 CO -0.74 0.00 -1.15 0.28 -1.03 0.00 0.00 179.24 176.60 1b8q h SER 73 N 0.00 0.78 -0.65 4.15 0.02 -0.41 -1.76 113.55 115.67 1b8q h SER 73 Ca 0.07 -0.69 -0.05 0.00 -0.84 0.00 0.00 61.79 60.28 1b8q h SER 73 Cb 0.33 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1b8q h SER 73 CO -0.00 1.50 0.23 0.00 -1.14 0.00 0.00 176.83 177.42 1b8q h ALA 74 N 0.43 1.14 -0.04 3.77 0.00 0.77 0.10 119.26 125.43 1b8q h ALA 74 Ca -0.15 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.40 1b8q h ALA 74 Cb 1.82 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1b8q h ALA 74 CO 0.21 0.61 -0.68 -0.07 0.00 0.00 0.00 179.25 179.32 1b8q h LEU 75 N 0.99 0.23 -0.02 0.00 3.38 -1.25 -2.44 115.31 116.20 1b8q h LEU 75 Ca 0.22 -0.15 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 1b8q h LEU 75 Cb 0.25 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.95 1b8q h LEU 75 CO -0.01 0.84 -1.06 1.05 0.09 0.00 0.00 178.44 179.34 1b8q h GLU 76 N 0.13 0.61 -0.77 1.13 4.11 -0.86 0.16 114.58 119.10 1b8q h GLU 76 Ca -0.02 -0.69 -0.02 0.00 0.07 0.00 0.00 59.36 58.70 1b8q h GLU 76 Cb 1.22 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.64 1b8q h GLU 76 CO 0.10 1.28 0.40 0.28 0.07 0.00 0.00 179.01 181.14 1b8q h VAL 77 N 0.33 1.24 0.00 -1.06 2.07 -0.82 -1.96 116.25 116.05 1b8q h VAL 77 Ca -0.13 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1b8q h VAL 77 Cb 1.72 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1b8q h VAL 77 CO 0.20 0.27 -0.22 0.17 0.02 0.00 0.00 177.57 178.01 1b8q h LEU 78 N 1.07 0.00 -0.62 2.57 8.10 -1.43 -3.27 115.31 121.73 1b8q h LEU 78 Ca 0.27 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 58.13 1b8q h LEU 78 Cb 0.07 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.28 1b8q h LEU 78 CO -0.04 0.21 -0.26 0.03 -4.11 0.00 0.00 178.44 174.28 1b8q h ARG 79 N 0.00 0.82 0.00 0.17 -0.00 0.06 -2.59 114.38 112.84 1b8q h ARG 79 Ca -0.00 -0.35 0.00 0.00 -0.50 0.00 0.00 59.98 59.12 1b8q h ARG 79 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.11 1b8q h ARG 79 CO 0.03 0.98 0.00 0.41 0.00 0.00 0.00 179.97 181.39 1b8q n GLY 80 N -0.15 -0.98 3.67 0.04 0.00 -0.87 -4.76 105.19 102.14 1b8q n GLY 80 Ca -0.00 0.07 -0.51 0.00 0.00 0.00 0.00 46.02 45.58 1b8q n GLY 80 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1b8q n ILE 81 N -1.94 0.48 -0.15 -0.61 5.41 -0.98 -4.94 119.36 116.64 1b8q n ILE 81 Ca 0.01 -0.12 -0.09 0.00 1.00 0.00 0.00 62.75 63.56 1b8q n ILE 81 Cb 0.13 -1.72 0.09 0.00 -0.71 0.00 0.00 39.64 37.43 1b8q n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1b8q n ALA 82 N 6.77 -1.56 -2.90 -1.39 0.00 -1.26 -4.74 120.51 115.45 1b8q n ALA 82 Ca 0.25 -0.45 -0.08 0.00 0.00 0.00 0.00 53.44 53.16 1b8q n ALA 82 Cb 0.25 -0.04 0.03 0.00 0.00 0.00 0.00 19.45 19.69 1b8q n ALA 82 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1b8q n SER 83 N -2.70 0.67 -2.94 0.00 7.64 -1.26 -4.52 113.62 110.51 1b8q n SER 83 Ca 0.04 -1.50 -0.11 0.00 1.01 0.00 0.00 58.87 58.31 1b8q n SER 83 Cb 0.18 -0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 1b8q n SER 83 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1b8q n GLU 84 N -1.47 -2.54 -4.43 1.43 2.13 -1.26 -4.88 120.64 109.63 1b8q n GLU 84 Ca 0.06 0.13 -0.22 0.00 0.66 0.00 0.00 57.16 57.79 1b8q n GLU 84 Cb 0.20 -4.67 -0.10 0.00 0.27 0.00 0.00 31.44 27.14 1b8q n GLU 84 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1b8q s THR 85 N -2.37 1.94 0.59 6.31 -1.32 -1.26 -5.04 115.64 114.48 1b8q s THR 85 Ca 0.19 -2.23 0.07 0.00 -1.21 0.00 0.00 61.69 58.51 1b8q s THR 85 Cb -0.11 -2.32 0.09 0.00 -1.51 0.00 0.00 72.50 68.65 1b8q s THR 85 CO 0.23 -0.40 0.81 -1.00 -2.21 0.00 0.00 174.62 172.05 1b8q s HIS 86 N -2.83 1.66 -0.04 9.09 3.76 -1.26 -2.60 115.29 123.06 1b8q s HIS 86 Ca 0.28 -0.56 -0.17 0.00 -0.15 0.00 0.00 55.06 54.46 1b8q s HIS 86 Cb 0.00 -2.43 0.03 0.00 1.11 0.00 0.00 32.58 31.30 1b8q s HIS 86 CO 0.12 -1.19 0.38 0.54 -0.85 0.00 0.00 174.74 173.73 1b8q s VAL 87 N -2.74 0.04 0.30 -0.90 0.11 0.53 -4.67 120.40 113.07 1b8q s VAL 87 Ca 0.62 -0.32 0.08 0.00 -2.93 0.00 0.00 61.98 59.42 1b8q s VAL 87 Cb -0.06 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1b8q s VAL 87 CO 0.40 -0.18 0.18 -0.69 -3.33 0.00 0.00 175.10 171.48 1b8q s VAL 88 N -1.04 3.70 0.31 2.04 1.01 -1.26 0.40 120.40 125.56 1b8q s VAL 88 Ca -0.11 -1.54 -0.19 0.00 0.00 0.00 0.00 61.98 60.14 1b8q s VAL 88 Cb -0.04 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.21 1b8q s VAL 88 CO 0.04 -0.26 0.73 -1.48 0.00 0.00 0.00 175.10 174.13 1b8q s LEU 89 N -3.86 -0.18 -0.10 3.92 2.34 0.28 0.15 118.68 121.22 1b8q s LEU 89 Ca 0.36 -0.75 -0.00 0.00 0.06 0.00 0.00 54.13 53.80 1b8q s LEU 89 Cb -0.06 2.74 0.02 0.00 -0.56 0.00 0.00 46.19 48.33 1b8q s LEU 89 CO 0.24 -1.43 -0.06 -0.63 -1.06 0.00 0.00 176.35 173.42 1b8q s ILE 90 N -3.53 0.83 0.12 1.48 -1.09 -0.59 0.14 121.20 118.55 1b8q s ILE 90 Ca 0.12 -0.18 0.03 0.00 -2.23 0.00 0.00 60.65 58.40 1b8q s ILE 90 Cb -0.06 -0.88 -0.04 0.00 -1.58 0.00 0.00 42.46 39.90 1b8q s ILE 90 CO 0.08 0.33 0.15 -0.76 -1.23 0.00 0.00 174.94 173.51 1b8q s LEU 91 N 1.69 3.96 0.15 2.97 1.43 0.22 -2.57 118.68 126.52 1b8q s LEU 91 Ca 0.03 0.01 -0.24 0.00 -1.03 0.00 0.00 54.13 52.91 1b8q s LEU 91 Cb -0.13 -2.59 0.08 0.00 0.03 0.00 0.00 46.19 43.58 1b8q s LEU 91 CO -0.06 0.12 1.05 0.00 0.23 0.00 0.00 176.35 177.68 1b8q s ARG 92 N -2.78 1.15 0.48 1.70 3.03 -1.26 0.85 118.95 122.12 1b8q s ARG 92 Ca 0.31 -0.71 0.05 0.00 2.03 0.00 0.00 55.73 57.42 1b8q s ARG 92 Cb -0.11 0.35 0.02 0.00 -1.03 0.00 0.00 34.95 34.18 1b8q s ARG 92 CO 0.24 -0.54 0.67 0.20 -1.13 0.00 0.00 175.30 174.74 1b8q s GLY 93 N -3.24 1.89 -0.75 3.88 0.00 -1.26 -4.99 107.32 102.86 1b8q s GLY 93 Ca 0.18 -1.53 -0.08 0.00 0.00 0.00 0.00 44.72 43.30 1b8q s GLY 93 CO 0.03 -1.30 3.30 -1.55 0.00 0.00 0.00 173.10 173.59 1b8q n PRO 94 N -2.08 2.80 -2.14 2.90 -0.04 -1.26 -4.80 135.00 130.39 1b8q n PRO 94 Ca 0.08 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1b8q n PRO 94 Cb 0.59 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1b8q n PRO 94 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1b8q n GLU 95 N 2.94 -4.96 -0.37 0.54 1.02 -1.26 -4.79 120.64 113.76 1b8q n GLU 95 Ca 0.59 3.60 0.00 0.00 -0.02 0.00 0.00 57.16 61.33 1b8q n GLU 95 Cb 0.60 -4.24 0.00 0.00 -0.02 0.00 0.00 31.44 27.78 1b8q n GLU 95 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b8q n GLY 96 N 1.72 1.16 2.81 0.62 0.00 -1.26 -4.92 105.19 105.32 1b8q n GLY 96 Ca 0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 1b8q n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b8q s PHE 97 N -2.00 0.20 -0.05 1.61 0.40 -1.25 -0.29 117.98 116.59 1b8q s PHE 97 Ca 0.00 0.04 -0.24 0.00 -0.60 0.00 0.00 56.93 56.13 1b8q s PHE 97 Cb 0.00 -0.32 -0.04 0.00 0.51 0.00 0.00 43.02 43.18 1b8q s PHE 97 CO 0.00 -0.10 0.72 0.95 0.70 0.00 0.00 175.22 177.49 1b8q s THR 98 N 0.92 5.01 -0.64 0.64 -4.23 0.48 -4.30 115.64 113.52 1b8q s THR 98 Ca -0.09 1.49 -0.10 0.00 -1.18 0.00 0.00 61.69 61.82 1b8q s THR 98 Cb -0.12 -4.06 0.17 0.00 1.34 0.00 0.00 72.50 69.82 1b8q s THR 98 CO -0.02 0.26 0.53 -0.89 -0.54 0.00 0.00 174.62 173.96 1b8q s THR 99 N 0.74 4.66 -0.23 3.99 2.01 -1.25 0.11 115.64 125.68 1b8q s THR 99 Ca 0.38 -2.31 0.02 0.00 0.31 0.00 0.00 61.69 60.09 1b8q s THR 99 Cb -0.18 -3.98 0.04 0.00 0.01 0.00 0.00 72.50 68.40 1b8q s THR 99 CO 0.19 -0.90 -0.14 -2.28 -0.69 0.00 0.00 174.62 170.80 1b8q s HIS 100 N 0.59 3.01 0.00 4.92 5.04 0.27 -4.51 115.29 124.61 1b8q s HIS 100 Ca 0.13 -2.01 0.00 0.00 -1.54 0.00 0.00 55.06 51.63 1b8q s HIS 100 Cb -0.19 -1.90 0.00 0.00 0.04 0.00 0.00 32.58 30.53 1b8q s HIS 100 CO -0.04 -0.84 0.18 -0.11 -2.34 0.00 0.00 174.74 171.58 1b8q n LEU 101 N 4.52 0.00 0.00 8.88 7.94 -1.26 -2.12 117.00 134.97 1b8q n LEU 101 Ca -0.17 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1b8q n LEU 101 Cb 0.45 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.40 1b8q n LEU 101 CO 0.23 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.72 1b8q n GLU 102 N -0.18 0.00 -0.32 1.96 2.13 -1.26 -4.45 120.64 118.52 1b8q n GLU 102 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1b8q n GLU 102 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1b8q n GLU 102 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1b8q n THR 103 N 0.00 0.00 -4.10 6.31 5.66 -1.26 -5.12 114.28 115.77 1b8q n THR 103 Ca 0.00 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 1b8q n THR 103 Cb 0.00 -1.27 -0.17 0.00 -1.55 0.00 0.00 70.33 67.34 1b8q n THR 103 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1b8q s THR 104 N 1.01 0.72 0.35 1.09 -4.23 -1.26 -4.44 115.64 108.88 1b8q s THR 104 Ca 0.00 -0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.35 1b8q s THR 104 Cb 0.00 -0.75 0.01 0.00 1.34 0.00 0.00 72.50 73.10 1b8q s THR 104 CO 0.00 0.29 0.07 0.33 -0.54 0.00 0.00 174.62 174.77 1b8q n PHE 105 N 4.44 0.38 0.00 3.99 7.35 0.53 -4.76 117.46 129.39 1b8q n PHE 105 Ca -0.18 -1.65 0.00 0.00 -0.76 0.00 0.00 57.45 54.86 1b8q n PHE 105 Cb 0.51 -0.24 0.00 0.00 0.35 0.00 0.00 39.48 40.09 1b8q n PHE 105 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1b8q n THR 106 N -0.98 0.00 -3.23 -2.13 -2.24 -1.25 -2.67 114.28 101.78 1b8q n THR 106 Ca -0.11 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.46 1b8q n THR 106 Cb 0.43 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1b8q n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b8q n GLY 107 N 4.67 -0.49 2.15 3.38 0.00 -1.26 0.12 105.19 113.76 1b8q n GLY 107 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 1b8q n GLY 107 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b8q n ASP 108 N -2.21 -2.89 -1.10 1.61 -0.08 -1.26 -4.34 116.55 106.28 1b8q n ASP 108 Ca -0.03 -0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 1b8q n ASP 108 Cb 0.55 -1.96 0.00 0.00 2.34 0.00 0.00 41.12 42.05 1b8q n ASP 108 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1b8q n GLY 109 N -1.00 -0.15 2.84 0.27 0.00 0.31 -4.47 105.19 102.98 1b8q n GLY 109 Ca -0.05 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 1b8q n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b8q s THR 110 N -1.76 0.53 -0.67 2.61 2.01 0.27 -1.04 115.64 117.58 1b8q s THR 110 Ca 0.00 -0.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.78 1b8q s THR 110 Cb 0.00 -0.61 -0.16 0.00 0.01 0.00 0.00 72.50 71.74 1b8q s THR 110 CO 0.00 0.26 1.88 -2.65 -0.69 0.00 0.00 174.62 173.42 1b8q n PRO 111 N 4.69 1.36 -0.42 4.92 -0.02 -1.26 -0.34 135.00 143.94 1b8q n PRO 111 Ca -0.15 -1.63 0.00 0.00 -2.02 0.00 0.00 63.50 59.71 1b8q n PRO 111 Cb 0.50 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1b8q n PRO 111 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1b8q n LYS 112 N 6.57 -1.16 -0.02 -0.52 3.00 -1.26 -3.98 118.16 120.78 1b8q n LYS 112 Ca 0.46 0.87 -0.04 0.00 -0.00 0.00 0.00 58.31 59.61 1b8q n LYS 112 Cb 0.34 -1.02 -0.03 0.00 0.00 0.00 0.00 35.03 34.32 1b8q n LYS 112 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1b8q h THR 113 N 0.29 0.00 -3.51 3.15 2.02 -1.85 -3.41 112.91 109.60 1b8q h THR 113 Ca 0.00 0.00 -0.50 0.00 0.77 0.00 0.00 66.41 66.68 1b8q h THR 113 Cb 0.09 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1b8q h THR 113 CO 0.00 0.00 0.03 -0.51 0.37 0.00 0.00 175.52 175.41 1b8q s ILE 114 N -3.73 4.88 0.05 3.11 -1.16 -1.11 -3.14 121.20 120.11 1b8q s ILE 114 Ca -0.04 0.36 -0.02 0.00 -0.51 0.00 0.00 60.65 60.44 1b8q s ILE 114 Cb 0.02 -3.76 -0.03 0.00 0.61 0.00 0.00 42.46 39.30 1b8q s ILE 114 CO 0.17 -0.52 0.01 -0.13 -2.81 0.00 0.00 174.94 171.66 1b8q s ARG 115 N -3.92 0.63 -0.03 3.50 0.52 -1.26 -4.47 118.95 113.92 1b8q s ARG 115 Ca 0.48 -1.13 -0.30 0.00 -0.52 0.00 0.00 55.73 54.26 1b8q s ARG 115 Cb -0.10 0.23 -0.03 0.00 0.52 0.00 0.00 34.95 35.56 1b8q s ARG 115 CO 0.33 -0.13 1.03 0.08 0.02 0.00 0.00 175.30 176.63 1b8q s VAL 116 N -3.74 4.69 0.09 3.52 1.01 -0.90 -4.52 120.40 120.56 1b8q s VAL 116 Ca 0.05 1.94 -0.29 0.00 0.00 0.00 0.00 61.98 63.69 1b8q s VAL 116 Cb 0.06 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1b8q s VAL 116 CO -0.09 0.09 0.92 -0.89 0.00 0.00 0.00 175.10 175.12 1b8q s THR 117 N 1.43 4.58 0.30 3.92 2.01 -1.25 0.97 115.64 127.60 1b8q s THR 117 Ca 0.52 1.97 0.01 0.00 0.31 0.00 0.00 61.69 64.50 1b8q s THR 117 Cb -0.21 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.00 1b8q s THR 117 CO 0.25 0.32 0.33 0.00 -0.69 0.00 0.00 174.62 174.82 1b8q s GLN 118 N 0.06 1.68 -0.10 4.92 -2.07 0.31 -4.93 119.66 119.54 1b8q s GLN 118 Ca 0.45 -1.80 -0.18 0.00 -1.82 0.00 0.00 55.36 52.01 1b8q s GLN 118 Cb -0.22 0.36 -0.04 0.00 -1.09 0.00 0.00 33.01 32.01 1b8q s GLN 118 CO 0.28 -0.65 0.47 -1.25 -1.32 0.00 0.00 175.29 172.82 1b8q s PRO 119 N -3.50 4.29 -0.13 9.60 0.04 -1.26 0.18 135.00 144.23 1b8q s PRO 119 Ca 0.36 0.44 0.01 0.00 0.04 0.00 0.00 61.00 61.85 1b8q s PRO 119 Cb 0.02 -3.41 -0.08 0.00 0.04 0.00 0.00 34.50 31.07 1b8q s PRO 119 CO 0.21 0.23 -0.11 1.47 0.04 0.00 0.00 177.00 178.83 1b8q n LEU 120 N 3.43 2.97 -0.05 -3.56 -0.00 0.60 -4.61 117.00 115.78 1b8q n LEU 120 Ca -0.08 -0.07 -0.05 0.00 -0.00 0.00 0.00 56.01 55.82 1b8q n LEU 120 Cb 0.52 -0.44 -0.03 0.00 -0.00 0.00 0.00 43.42 43.47 1b8q n LEU 120 CO 0.42 0.71 0.50 1.23 -0.00 0.00 0.00 177.39 180.25 1b8q h GLY 121 N 0.97 -1.66 -1.51 1.47 0.00 -1.84 -3.41 103.07 97.09 1b8q h GLY 121 Ca -0.28 0.81 -0.41 0.00 0.00 0.00 0.00 47.33 47.45 1b8q h GLY 121 CO -0.04 -0.54 -1.33 -1.55 0.00 0.00 0.00 176.54 173.07 1b8q n PRO 122 N -3.63 -1.32 -2.00 4.80 -0.04 -1.26 -4.70 135.00 126.84 1b8q n PRO 122 Ca -0.01 -0.38 -0.26 0.00 -0.04 0.00 0.00 63.50 62.81 1b8q n PRO 122 Cb 0.12 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 1b8q n PRO 122 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1b8q s PRO 123 N -3.06 2.34 -1.35 0.54 0.04 -1.26 -4.85 135.00 127.39 1b8q s PRO 123 Ca 0.46 -0.88 -0.12 0.00 0.04 0.00 0.00 61.00 60.50 1b8q s PRO 123 Cb -0.05 -5.17 0.11 0.00 0.04 0.00 0.00 34.50 29.43 1b8q s PRO 123 CO 0.59 -4.05 2.00 0.25 0.04 0.00 0.00 177.00 175.83 1b8q n THR 124 N 7.98 3.95 -4.32 1.26 -2.24 -1.26 -4.90 114.28 114.73 1b8q n THR 124 Ca 0.44 -3.81 -0.15 0.00 -2.27 0.00 0.00 64.05 58.26 1b8q n THR 124 Cb 0.47 -2.47 -0.03 0.00 -2.10 0.00 0.00 70.33 66.19 1b8q n THR 124 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1b8q n LYS 125 N 5.08 1.14 -1.40 -0.78 5.02 -1.26 -4.76 118.16 121.19 1b8q n LYS 125 Ca 0.45 -1.76 -0.14 0.00 -2.02 0.00 0.00 58.31 54.84 1b8q n LYS 125 Cb 0.38 0.66 -0.06 0.00 -0.02 0.00 0.00 35.03 35.99 1b8q n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b8q n ALA 126 N -2.15 -0.21 1.80 7.82 0.00 -1.26 -5.29 120.51 121.22 1b8q n ALA 126 Ca -0.09 0.22 0.15 0.00 0.00 0.00 0.00 53.44 53.72 1b8q n ALA 126 Cb 0.31 -1.72 0.78 0.00 0.00 0.00 0.00 19.45 18.82 1b8q n ALA 126 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05