#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8q s SER 2 N 0.00 4.74 -0.13 1.61 0.01 -1.26 -4.53 113.70 114.13 1b8q s SER 2 Ca 0.00 -0.93 -0.02 0.00 1.31 0.00 0.00 55.95 56.31 1b8q s SER 2 Cb 0.00 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 1b8q s SER 2 CO 0.00 -3.24 -0.14 1.57 0.41 0.00 0.00 173.24 171.84 1b8q n HIS 3 N 15.41 0.00 -4.02 2.43 -0.00 -1.26 -4.98 115.22 122.81 1b8q n HIS 3 Ca 0.43 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.80 1b8q n HIS 3 Cb 0.46 -0.50 -0.11 0.00 -0.00 0.00 0.00 29.99 29.84 1b8q n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 1b8q s MET 4 N -2.26 3.83 0.64 1.57 1.00 -1.26 -4.98 119.30 117.84 1b8q s MET 4 Ca -0.18 -0.42 0.00 0.00 0.00 0.00 0.00 55.69 55.09 1b8q s MET 4 Cb 0.06 -3.19 0.00 0.00 0.00 0.00 0.00 34.83 31.70 1b8q s MET 4 CO 0.28 0.13 0.00 -0.89 0.00 0.00 0.00 175.02 174.54 1b8q n ILE 5 N 3.94 -1.21 -4.04 2.53 -0.00 -1.26 -4.95 119.36 114.36 1b8q n ILE 5 Ca -0.17 1.05 -0.22 0.00 -0.00 0.00 0.00 62.75 63.42 1b8q n ILE 5 Cb 0.52 -1.60 -0.03 0.00 -0.00 0.00 0.00 39.64 38.53 1b8q n ILE 5 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 1b8q s GLU 6 N -4.48 3.18 0.11 0.38 0.41 -0.83 -4.97 118.70 112.50 1b8q s GLU 6 Ca 0.00 -0.90 -0.31 0.00 -0.41 0.00 0.00 54.97 53.35 1b8q s GLU 6 Cb 0.00 -2.73 -0.08 0.00 -1.78 0.00 0.00 34.13 29.54 1b8q s GLU 6 CO 0.00 0.42 1.37 -2.14 -0.49 0.00 0.00 175.26 174.42 1b8q s PRO 7 N -3.86 4.33 -0.37 0.39 0.02 -1.26 -4.96 135.00 129.30 1b8q s PRO 7 Ca 0.33 2.04 0.01 0.00 0.02 0.00 0.00 61.00 63.41 1b8q s PRO 7 Cb -0.09 -3.26 0.15 0.00 0.02 0.00 0.00 34.50 31.33 1b8q s PRO 7 CO 0.27 -0.41 0.27 -0.80 -0.33 0.00 0.00 177.00 176.00 1b8q s ASN 8 N 1.08 2.28 -0.81 2.53 0.01 0.32 -4.30 114.94 116.05 1b8q s ASN 8 Ca 0.64 -2.17 -0.23 0.00 -0.71 0.00 0.00 52.86 50.39 1b8q s ASN 8 Cb -0.36 -0.15 0.07 0.00 0.41 0.00 0.00 41.25 41.22 1b8q s ASN 8 CO 0.30 -0.27 1.17 0.54 -1.51 0.00 0.00 177.10 177.32 1b8q s VAL 9 N 1.00 4.20 0.03 1.60 0.11 -1.21 -2.11 120.40 124.02 1b8q s VAL 9 Ca 0.20 -0.54 -0.01 0.00 -2.93 0.00 0.00 61.98 58.70 1b8q s VAL 9 Cb -0.17 -4.83 0.01 0.00 -1.53 0.00 0.00 36.38 29.85 1b8q s VAL 9 CO -0.03 -1.65 0.07 0.00 -3.33 0.00 0.00 175.10 170.16 1b8q n ILE 10 N 6.12 0.00 -2.89 7.04 0.13 -0.82 -4.25 119.36 124.69 1b8q n ILE 10 Ca 0.11 -0.08 -0.23 0.00 -1.10 0.00 0.00 62.75 61.45 1b8q n ILE 10 Cb 0.48 0.08 0.01 0.00 -0.84 0.00 0.00 39.64 39.38 1b8q n ILE 10 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1b8q s SER 11 N -1.18 5.80 0.11 9.51 1.04 -1.26 -1.03 113.70 126.69 1b8q s SER 11 Ca 0.01 0.35 -0.17 0.00 0.48 0.00 0.00 55.95 56.62 1b8q s SER 11 Cb -0.00 -1.56 0.04 0.00 0.10 0.00 0.00 66.02 64.59 1b8q s SER 11 CO 0.01 -0.75 0.42 -0.69 0.98 0.00 0.00 173.24 173.21 1b8q s VAL 12 N -2.62 0.06 0.01 5.02 1.01 0.39 -4.77 120.40 119.49 1b8q s VAL 12 Ca 0.49 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 1b8q s VAL 12 Cb -0.10 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1b8q s VAL 12 CO 0.39 -0.28 -0.00 -0.60 0.00 0.00 0.00 175.10 174.61 1b8q s ARG 13 N -3.50 0.14 0.31 2.72 3.52 -1.26 0.11 118.95 120.98 1b8q s ARG 13 Ca 0.01 -0.24 0.05 0.00 -0.13 0.00 0.00 55.73 55.42 1b8q s ARG 13 Cb 0.01 0.05 -0.03 0.00 -1.56 0.00 0.00 34.95 33.42 1b8q s ARG 13 CO -0.10 -0.02 0.28 -0.51 -0.81 0.00 0.00 175.30 174.14 1b8q s LEU 14 N -0.60 1.56 0.09 -0.88 1.02 0.10 -4.94 118.68 115.03 1b8q s LEU 14 Ca -0.07 -1.66 0.08 0.00 0.02 0.00 0.00 54.13 52.50 1b8q s LEU 14 Cb -0.04 0.65 -0.03 0.00 0.02 0.00 0.00 46.19 46.79 1b8q s LEU 14 CO -0.00 -1.06 -0.22 0.12 0.02 0.00 0.00 176.35 175.21 1b8q s PHE 15 N -3.51 1.88 -0.09 0.29 2.19 -1.26 0.15 117.98 117.63 1b8q s PHE 15 Ca 0.39 -0.40 0.01 0.00 0.33 0.00 0.00 56.93 57.25 1b8q s PHE 15 Cb 0.03 -1.05 0.12 0.00 -1.31 0.00 0.00 43.02 40.81 1b8q s PHE 15 CO 0.24 0.19 1.25 1.63 1.83 0.00 0.00 175.22 180.37 1b8q n LYS 16 N 1.25 1.24 -2.75 10.12 5.02 -1.08 -3.60 118.16 128.38 1b8q n LYS 16 Ca -0.19 -0.57 -0.06 0.00 -2.02 0.00 0.00 58.31 55.47 1b8q n LYS 16 Cb 0.53 -1.22 -0.01 0.00 -0.02 0.00 0.00 35.03 34.31 1b8q n LYS 16 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1b8q n ARG 17 N 0.27 -2.71 -1.76 1.97 5.12 -1.26 0.15 116.66 118.45 1b8q n ARG 17 Ca 0.11 0.06 -0.04 0.00 -1.93 0.00 0.00 57.85 56.05 1b8q n ARG 17 Cb 0.71 -4.57 -0.01 0.00 -1.16 0.00 0.00 32.46 27.42 1b8q n ARG 17 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1b8q n LYS 18 N -2.72 -1.86 -1.22 5.56 0.00 -1.26 -4.44 118.16 112.21 1b8q n LYS 18 Ca 0.01 0.22 -0.04 0.00 -0.00 0.00 0.00 58.31 58.50 1b8q n LYS 18 Cb 0.50 -4.51 -0.01 0.00 -0.00 0.00 0.00 35.03 31.01 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 -1.98 0.00 -3.54 0.58 0.24 0.63 -4.46 118.33 109.79 1b8q n VAL 19 Ca -0.04 -0.18 -0.22 0.00 -2.04 0.00 0.00 64.34 61.86 1b8q n VAL 19 Cb 0.32 0.48 0.03 0.00 -1.47 0.00 0.00 33.84 33.19 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 -0.28 -1.13 2.42 7.63 0.00 0.40 -4.97 105.19 109.25 1b8q n GLY 20 Ca -0.18 0.50 -0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.68 1.95 0.39 -0.02 0.00 -0.70 -4.94 105.19 100.19 1b8q n GLY 21 Ca -0.12 -0.91 0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 3.62 0.00 0.00 0.99 4.07 -1.80 -3.35 115.31 118.84 1b8q h LEU 22 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1b8q h LEU 22 Cb 0.97 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.71 1b8q h LEU 22 CO 0.38 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.35 1b8q n GLY 23 N -1.44 1.07 3.63 0.83 0.00 -1.26 -0.50 105.19 107.51 1b8q n GLY 23 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.78 0.76 1.61 -0.71 -1.26 -0.73 117.98 114.87 1b8q s PHE 24 Ca 0.00 1.88 -0.12 0.00 -1.04 0.00 0.00 56.93 57.65 1b8q s PHE 24 Cb 0.00 0.28 0.05 0.00 -1.21 0.00 0.00 43.02 42.14 1b8q s PHE 24 CO 0.00 -0.38 1.13 -0.51 -1.34 0.00 0.00 175.22 174.11 1b8q s LEU 25 N 0.31 2.68 -0.11 -1.99 1.43 0.27 -4.81 118.68 116.47 1b8q s LEU 25 Ca -0.00 1.03 -0.16 0.00 -1.03 0.00 0.00 54.13 53.97 1b8q s LEU 25 Cb -0.05 -3.68 0.04 0.00 0.03 0.00 0.00 46.19 42.53 1b8q s LEU 25 CO 0.01 -1.67 0.41 0.68 0.23 0.00 0.00 176.35 176.01 1b8q s VAL 26 N -3.40 0.02 -0.06 -1.59 -7.23 -1.26 -2.16 120.40 104.72 1b8q s VAL 26 Ca 0.60 -0.14 -0.01 0.00 -1.81 0.00 0.00 61.98 60.62 1b8q s VAL 26 Cb -0.12 -0.63 0.03 0.00 0.56 0.00 0.00 36.38 36.22 1b8q s VAL 26 CO 0.51 -0.08 0.01 -0.75 -0.31 0.00 0.00 175.10 174.49 1b8q s LYS 27 N -0.36 0.48 -0.29 4.82 2.20 0.22 -4.85 119.74 121.96 1b8q s LYS 27 Ca -0.05 0.15 -0.03 0.00 -0.36 0.00 0.00 55.97 55.68 1b8q s LYS 27 Cb -0.03 -0.86 0.04 0.00 -1.51 0.00 0.00 37.83 35.47 1b8q s LYS 27 CO 0.02 -0.29 0.00 -2.00 -0.36 0.00 0.00 175.35 172.73 1b8q s GLU 28 N 1.92 2.64 0.04 4.03 -6.30 -1.26 -0.48 118.70 119.29 1b8q s GLU 28 Ca 0.04 -1.13 -0.30 0.00 -2.50 0.00 0.00 54.97 51.07 1b8q s GLU 28 Cb -0.12 -3.17 -0.08 0.00 0.00 0.00 0.00 34.13 30.76 1b8q s GLU 28 CO -0.04 -0.54 1.63 1.03 0.02 0.00 0.00 175.26 177.36 1b8q s ARG 29 N 1.32 4.20 0.63 4.30 3.00 -1.26 -4.65 118.95 126.48 1b8q s ARG 29 Ca -0.02 2.28 0.26 0.00 0.00 0.00 0.00 55.73 58.24 1b8q s ARG 29 Cb -0.19 -3.66 1.30 0.00 0.00 0.00 0.00 34.95 32.40 1b8q s ARG 29 CO -0.01 -0.74 1.73 0.28 0.00 0.00 0.00 175.30 176.56 1b8q h VAL 30 N 4.94 0.15 -1.56 3.52 2.07 -1.94 -3.01 116.25 120.43 1b8q h VAL 30 Ca -0.42 0.00 -0.47 0.00 0.82 0.00 0.00 66.70 66.63 1b8q h VAL 30 Cb 1.20 0.49 -0.32 0.00 -1.52 0.00 0.00 31.29 31.13 1b8q h VAL 30 CO 0.93 0.00 -0.92 -1.20 0.02 0.00 0.00 177.57 176.40 1b8q n SER 31 N -3.23 -0.80 -3.78 0.57 7.64 -1.26 -4.90 113.62 107.86 1b8q n SER 31 Ca 0.06 -2.79 0.03 0.00 1.01 0.00 0.00 58.87 57.17 1b8q n SER 31 Cb 0.71 0.05 0.01 0.00 -1.01 0.00 0.00 64.21 63.97 1b8q n SER 31 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1b8q s LYS 32 N -0.48 0.26 0.96 1.43 -0.14 -1.14 -5.17 119.74 115.46 1b8q s LYS 32 Ca 0.34 -0.16 -0.18 0.00 -1.36 0.00 0.00 55.97 54.61 1b8q s LYS 32 Cb 0.16 0.08 0.01 0.00 -1.68 0.00 0.00 37.83 36.39 1b8q s LYS 32 CO -0.15 -0.12 -0.43 -2.30 -0.76 0.00 0.00 175.35 171.59 1b8q n PRO 33 N -0.78 -1.02 -0.76 -1.68 -0.02 -1.26 -4.73 135.00 124.76 1b8q n PRO 33 Ca -0.00 -0.30 -0.21 0.00 -2.02 0.00 0.00 63.50 60.97 1b8q n PRO 33 Cb 0.60 -1.31 0.07 0.00 -0.02 0.00 0.00 33.50 32.84 1b8q n PRO 33 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1b8q n PRO 34 N 0.10 -0.81 -2.75 0.52 -0.02 -1.11 -4.44 135.00 126.50 1b8q n PRO 34 Ca 0.01 -0.24 -0.35 0.00 -2.02 0.00 0.00 63.50 60.90 1b8q n PRO 34 Cb 0.50 -1.21 -0.06 0.00 -0.02 0.00 0.00 33.50 32.71 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 -2.05 4.20 0.20 -1.45 0.11 -1.10 -4.59 120.40 115.73 1b8q s VAL 35 Ca 0.28 1.57 0.06 0.00 -2.93 0.00 0.00 61.98 60.95 1b8q s VAL 35 Cb 0.00 -3.75 -0.05 0.00 -1.53 0.00 0.00 36.38 31.06 1b8q s VAL 35 CO 0.37 -0.11 -0.10 -0.51 -3.33 0.00 0.00 175.10 171.43 1b8q s ILE 36 N -1.90 1.45 0.27 7.04 1.10 0.37 -4.23 121.20 125.30 1b8q s ILE 36 Ca 0.58 -2.13 -0.29 0.00 -0.51 0.00 0.00 60.65 58.30 1b8q s ILE 36 Cb -0.15 -2.09 -0.09 0.00 0.15 0.00 0.00 42.46 40.28 1b8q s ILE 36 CO 0.19 -0.55 0.95 -0.63 -2.11 0.00 0.00 174.94 172.79 1b8q s ILE 37 N -3.15 4.07 -0.18 2.00 1.01 -1.26 0.73 121.20 124.42 1b8q s ILE 37 Ca 0.23 1.95 0.02 0.00 0.00 0.00 0.00 60.65 62.85 1b8q s ILE 37 Cb 0.02 -4.19 -0.12 0.00 0.01 0.00 0.00 42.46 38.17 1b8q s ILE 37 CO 0.06 0.37 -0.14 -0.24 0.00 0.00 0.00 174.94 174.99 1b8q n SER 38 N 1.15 2.53 -3.63 3.58 2.88 -0.92 -0.13 113.62 119.08 1b8q n SER 38 Ca -0.01 -0.09 -0.05 0.00 -1.33 0.00 0.00 58.87 57.40 1b8q n SER 38 Cb 0.48 -0.19 -0.06 0.00 -0.75 0.00 0.00 64.21 63.69 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 -5.65 -0.17 -0.66 -3.46 2.15 -1.26 -4.59 116.67 103.03 1b8q s ASP 39 Ca -0.23 0.28 -0.27 0.00 0.43 0.00 0.00 52.55 52.76 1b8q s ASP 39 Cb 0.06 0.26 0.01 0.00 -0.30 0.00 0.00 42.92 42.95 1b8q s ASP 39 CO 0.43 -0.09 1.49 -0.76 -0.17 0.00 0.00 175.17 176.06 1b8q s LEU 40 N -0.37 3.26 0.08 -1.34 1.43 -1.26 0.97 118.68 121.45 1b8q s LEU 40 Ca 0.06 -0.04 -0.36 0.00 -1.03 0.00 0.00 54.13 52.76 1b8q s LEU 40 Cb -0.03 -2.67 -0.18 0.00 0.03 0.00 0.00 46.19 43.34 1b8q s LEU 40 CO -0.09 -1.97 1.58 -0.29 0.23 0.00 0.00 176.35 175.80 1b8q h ILE 41 N 6.37 0.07 0.00 -0.59 6.09 -1.24 -3.40 117.51 124.80 1b8q h ILE 41 Ca -0.27 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 1b8q h ILE 41 Cb 1.09 0.07 0.00 0.00 0.47 0.00 0.00 36.82 38.45 1b8q h ILE 41 CO 1.24 0.00 -0.28 -1.14 -3.07 0.00 0.00 178.15 174.90 1b8q n ARG 42 N -5.57 0.20 0.00 2.19 3.00 -1.24 -4.99 116.66 110.24 1b8q n ARG 42 Ca -0.13 0.29 0.00 0.00 -0.00 0.00 0.00 57.85 58.01 1b8q n ARG 42 Cb 0.46 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 31.85 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 1.63 1.59 0.00 5.14 0.00 -1.26 -5.01 105.19 107.28 1b8q n GLY 43 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.89 0.00 0.00 -0.02 0.00 -1.26 -4.24 105.19 98.78 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 -1.31 0.00 0.36 4.61 0.00 -1.26 -4.14 120.51 118.77 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 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.93 -0.89 0.00 0.00 -1.07 -2.06 119.26 112.31 1b8q h ALA 46 Ca 0.00 -0.22 0.21 0.00 0.00 0.00 0.00 54.91 54.90 1b8q h ALA 46 Cb 0.00 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 18.03 1b8q h ALA 46 CO 0.00 -0.92 0.40 1.49 0.00 0.00 0.00 179.25 180.23 1b8q h GLU 47 N -1.14 0.43 -0.47 0.00 4.57 -1.78 0.83 114.58 117.03 1b8q h GLU 47 Ca -0.09 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 1b8q h GLU 47 Cb 0.74 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.21 1b8q h GLU 47 CO 0.16 0.28 0.22 0.37 -1.18 0.00 0.00 179.01 178.86 1b8q h GLN 48 N 0.44 0.65 -0.31 1.92 5.75 -1.70 -2.26 115.11 119.61 1b8q h GLN 48 Ca 0.54 -0.08 0.06 0.00 -0.15 0.00 0.00 58.65 59.03 1b8q h GLN 48 Cb 0.99 -0.13 -0.06 0.00 1.07 0.00 0.00 27.48 29.35 1b8q h GLN 48 CO -0.50 0.51 -0.07 0.77 -2.65 0.00 0.00 178.83 176.89 1b8q h SER 49 N 0.65 -0.28 0.00 -0.69 0.02 0.14 -3.47 113.55 109.93 1b8q h SER 49 Ca 0.16 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1b8q h SER 49 Cb 0.08 0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1b8q h SER 49 CO -0.02 -0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.18 1b8q n GLY 50 N -1.26 1.57 1.36 -3.77 0.00 -0.85 -4.90 105.19 97.34 1b8q n GLY 50 Ca 0.00 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 45.94 1b8q n GLY 50 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1b8q n LEU 51 N 0.00 3.98 -4.07 0.99 -0.00 -1.26 -4.32 117.00 112.31 1b8q n LEU 51 Ca 0.00 -2.00 -0.35 0.00 -0.00 0.00 0.00 56.01 53.66 1b8q n LEU 51 Cb 0.00 -0.50 -0.10 0.00 -0.00 0.00 0.00 43.42 42.83 1b8q n LEU 51 CO 0.00 0.88 0.06 -0.63 -0.00 0.00 0.00 177.39 177.70 1b8q s ILE 52 N -1.30 3.66 0.07 1.47 1.09 -1.26 -4.87 121.20 120.07 1b8q s ILE 52 Ca 0.47 -3.20 0.06 0.00 -1.10 0.00 0.00 60.65 56.89 1b8q s ILE 52 Cb 0.26 -3.38 -0.04 0.00 -1.06 0.00 0.00 42.46 38.25 1b8q s ILE 52 CO 0.29 -0.91 -0.10 -1.58 -0.10 0.00 0.00 174.94 172.55 1b8q s GLN 53 N -0.35 2.23 0.33 2.79 2.00 -1.26 -4.09 119.66 121.30 1b8q s GLN 53 Ca 0.19 -0.95 -0.28 0.00 -2.00 0.00 0.00 55.36 52.32 1b8q s GLN 53 Cb -0.18 -2.34 -0.10 0.00 0.80 0.00 0.00 33.01 31.19 1b8q s GLN 53 CO -0.05 0.53 1.20 0.00 -0.50 0.00 0.00 175.29 176.48 1b8q s ALA 54 N -1.14 3.39 -1.32 1.58 0.00 -1.26 -2.71 121.76 120.30 1b8q s ALA 54 Ca 0.20 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1b8q s ALA 54 Cb -0.11 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1b8q s ALA 54 CO 0.12 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1b8q n GLY 55 N 0.90 1.32 0.00 0.00 0.00 0.82 -4.90 105.19 103.34 1b8q n GLY 55 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.25 0.00 -3.68 1.61 9.92 -1.10 -4.95 116.55 118.11 1b8q n ASP 56 Ca -0.12 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.04 1b8q n ASP 56 Cb 0.44 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.82 1b8q n ASP 56 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1b8q s ILE 57 N 0.00 -0.29 -0.50 0.53 -1.09 -1.26 -4.94 121.20 113.66 1b8q s ILE 57 Ca 0.00 0.11 0.06 0.00 -2.23 0.00 0.00 60.65 58.59 1b8q s ILE 57 Cb 0.00 -0.67 0.21 0.00 -1.58 0.00 0.00 42.46 40.42 1b8q s ILE 57 CO 0.00 0.05 0.81 0.00 -1.23 0.00 0.00 174.94 174.56 1b8q n ILE 58 N 4.73 0.00 -0.01 2.92 0.13 -1.26 -4.81 119.36 121.06 1b8q n ILE 58 Ca -0.17 -1.09 -0.01 0.00 -1.10 0.00 0.00 62.75 60.38 1b8q n ILE 58 Cb 0.53 1.12 -0.00 0.00 -0.84 0.00 0.00 39.64 40.45 1b8q n ILE 58 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 176.55 179.60 1b8q h LEU 59 N 4.63 -0.05 -9.43 9.51 5.85 -1.68 -3.38 115.31 120.76 1b8q h LEU 59 Ca -0.01 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 58.06 1b8q h LEU 59 Cb 1.09 0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.01 1b8q h LEU 59 CO 0.09 0.28 -0.68 0.00 -0.34 0.00 0.00 178.44 177.80 1b8q s ALA 60 N -2.85 3.23 -0.20 1.25 0.00 -1.04 -3.75 121.76 118.41 1b8q s ALA 60 Ca -0.01 -1.14 -0.27 0.00 0.00 0.00 0.00 51.96 50.54 1b8q s ALA 60 Cb 0.00 -1.14 0.08 0.00 0.00 0.00 0.00 23.12 22.06 1b8q s ALA 60 CO 0.03 0.69 0.74 0.08 0.00 0.00 0.00 175.76 177.30 1b8q s VAL 61 N -1.29 0.00 -1.56 0.00 1.01 -1.23 -1.73 120.40 115.59 1b8q s VAL 61 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 1b8q s VAL 61 Cb -0.12 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1b8q s VAL 61 CO 0.17 0.00 0.42 0.59 0.00 0.00 0.00 175.10 176.29 1b8q n ASN 62 N 2.04 -5.92 -1.66 3.32 3.02 0.31 -2.27 115.26 114.11 1b8q n ASN 62 Ca -0.15 -0.20 -0.19 0.00 -0.03 0.00 0.00 54.58 54.01 1b8q n ASN 62 Cb 0.56 -4.79 -0.07 0.00 -0.61 0.00 0.00 39.78 34.87 1b8q n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1b8q n ASP 63 N -2.20 -5.01 -4.13 6.41 8.00 -1.25 -4.78 116.55 113.57 1b8q n ASP 63 Ca -0.15 0.41 -0.31 0.00 0.71 0.00 0.00 54.79 55.45 1b8q n ASP 63 Cb 0.64 -4.44 -0.17 0.00 -0.02 0.00 0.00 41.12 37.13 1b8q n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b8q s ARG 64 N -3.78 2.78 -0.83 -1.24 1.04 -0.96 -5.05 118.95 110.91 1b8q s ARG 64 Ca 0.00 -0.76 -0.24 0.00 -1.04 0.00 0.00 55.73 53.68 1b8q s ARG 64 Cb 0.00 -2.29 -0.17 0.00 -2.04 0.00 0.00 34.95 30.46 1b8q s ARG 64 CO 0.00 -0.05 2.35 -0.35 -0.04 0.00 0.00 175.30 177.21 1b8q n PRO 65 N 4.17 0.46 -2.10 3.89 -0.04 -1.26 -3.56 135.00 136.55 1b8q n PRO 65 Ca -0.20 -0.87 -0.42 0.00 -0.04 0.00 0.00 63.50 61.98 1b8q n PRO 65 Cb 0.51 -3.49 -0.00 0.00 -0.04 0.00 0.00 33.50 30.49 1b8q n PRO 65 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1b8q n LEU 66 N 17.72 7.10 0.07 1.53 0.00 -1.25 -4.42 117.00 137.76 1b8q n LEU 66 Ca 0.48 -4.59 0.00 0.00 0.00 0.00 0.00 56.01 51.89 1b8q n LEU 66 Cb 0.41 -1.49 0.00 0.00 0.00 0.00 0.00 43.42 42.34 1b8q n LEU 66 CO 0.59 1.51 -0.03 1.33 0.00 0.00 0.00 177.39 180.79 1b8q n VAL 67 N 3.33 0.78 -1.89 1.96 0.24 -1.26 -2.71 118.33 118.78 1b8q n VAL 67 Ca 0.48 0.26 0.05 0.00 -2.04 0.00 0.00 64.34 63.09 1b8q n VAL 67 Cb 0.34 -1.25 0.08 0.00 -1.47 0.00 0.00 33.84 31.53 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 -3.44 1.17 -2.81 -1.34 5.68 -1.26 -2.75 116.55 111.80 1b8q n ASP 68 Ca 0.00 -2.66 -0.06 0.00 -0.50 0.00 0.00 54.79 51.57 1b8q n ASP 68 Cb 0.03 -0.35 0.01 0.00 -1.14 0.00 0.00 41.12 39.67 1b8q n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b8q n LEU 69 N -0.38 0.00 -4.61 -2.12 -0.00 -1.26 -5.03 117.00 103.60 1b8q n LEU 69 Ca 0.09 -0.72 -0.43 0.00 -0.00 0.00 0.00 56.01 54.95 1b8q n LEU 69 Cb 0.83 -0.09 -0.02 0.00 -0.00 0.00 0.00 43.42 44.13 1b8q n LEU 69 CO -0.02 -0.50 1.26 -0.94 -0.00 0.00 0.00 177.39 177.19 1b8q s SER 70 N -1.97 6.35 0.27 1.45 1.04 -1.26 -4.89 113.70 114.69 1b8q s SER 70 Ca 0.15 1.03 -0.04 0.00 0.48 0.00 0.00 55.95 57.57 1b8q s SER 70 Cb -0.01 -2.54 0.54 0.00 0.10 0.00 0.00 66.02 64.11 1b8q s SER 70 CO 0.09 -1.38 1.61 0.22 0.98 0.00 0.00 173.24 174.76 1b8q h TYR 71 N 10.69 -0.09 -0.13 5.02 3.20 -1.90 0.66 116.97 134.42 1b8q h TYR 71 Ca -0.29 0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.56 1b8q h TYR 71 Cb 1.12 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 1b8q h TYR 71 CO 0.95 -0.32 -0.33 -0.44 -1.64 0.00 0.00 178.16 176.38 1b8q h ASP 72 N 0.07 0.26 -0.01 -2.11 3.32 -1.91 -1.81 116.42 114.23 1b8q h ASP 72 Ca 0.48 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 57.28 1b8q h ASP 72 Cb 0.88 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1b8q h ASP 72 CO -0.78 0.58 -0.50 0.28 -1.72 0.00 0.00 179.24 177.10 1b8q h SER 73 N 0.22 0.63 -0.00 6.45 0.02 -0.23 -1.88 113.55 118.75 1b8q h SER 73 Ca 0.03 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1b8q h SER 73 Cb 0.69 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1b8q h SER 73 CO 0.05 1.02 0.00 0.00 -1.14 0.00 0.00 176.83 176.76 1b8q h ALA 74 N 1.00 0.01 0.00 3.77 0.00 -0.34 -2.26 119.26 121.43 1b8q h ALA 74 Ca 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1b8q h ALA 74 Cb 1.03 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1b8q h ALA 74 CO 0.10 -0.34 -0.14 -0.07 0.00 0.00 0.00 179.25 178.80 1b8q h LEU 75 N -0.29 0.00 -0.28 0.00 3.38 -1.31 -2.07 115.31 114.73 1b8q h LEU 75 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1b8q h LEU 75 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1b8q h LEU 75 CO 0.00 0.14 -0.54 1.05 0.09 0.00 0.00 178.44 179.18 1b8q h GLU 76 N 0.00 0.86 -0.79 1.13 4.11 -1.16 0.24 114.58 118.97 1b8q h GLU 76 Ca -0.00 -0.55 0.04 0.00 0.07 0.00 0.00 59.36 58.91 1b8q h GLU 76 Cb 0.28 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1b8q h GLU 76 CO 0.02 1.19 0.50 0.28 0.07 0.00 0.00 179.01 181.07 1b8q h VAL 77 N 0.64 1.10 -0.13 -1.06 2.07 -0.79 -1.25 116.25 116.84 1b8q h VAL 77 Ca 0.01 -0.33 -0.17 0.00 0.82 0.00 0.00 66.70 67.03 1b8q h VAL 77 Cb 1.15 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1b8q h VAL 77 CO 0.12 0.18 -0.62 0.25 0.02 0.00 0.00 177.57 177.52 1b8q h LEU 78 N 0.97 0.52 -1.29 2.57 5.85 -1.28 -3.13 115.31 119.51 1b8q h LEU 78 Ca 0.32 -0.30 0.10 0.00 0.84 0.00 0.00 57.88 58.84 1b8q h LEU 78 Cb 0.04 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 1b8q h LEU 78 CO -0.12 1.01 0.54 0.03 -0.34 0.00 0.00 178.44 179.56 1b8q h ARG 79 N 0.33 0.75 0.00 1.25 -0.00 0.65 0.53 114.38 117.91 1b8q h ARG 79 Ca -0.01 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 1b8q h ARG 79 Cb 1.17 -0.17 0.00 0.00 0.00 0.00 0.00 29.97 30.97 1b8q h ARG 79 CO 0.11 0.50 0.05 0.78 0.00 0.00 0.00 179.97 181.41 1b8q h GLY 80 N 0.78 0.00 -5.36 0.04 0.00 -1.35 -3.42 103.07 93.76 1b8q h GLY 80 Ca 0.39 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 47.17 1b8q h GLY 80 CO -0.16 0.00 1.11 -0.42 0.00 0.00 0.00 176.54 177.07 1b8q s ILE 81 N -4.14 3.53 0.00 2.60 1.01 0.18 -5.00 121.20 119.37 1b8q s ILE 81 Ca -0.05 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.23 1b8q s ILE 81 Cb 0.12 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.17 1b8q s ILE 81 CO 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 174.94 175.26 1b8q n ALA 82 N 7.36 0.00 -2.51 9.38 0.00 -1.26 -4.90 120.51 128.57 1b8q n ALA 82 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.59 1b8q n ALA 82 Cb 0.43 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.65 0.22 -2.66 0.00 7.64 -1.26 -4.47 113.62 112.44 1b8q n SER 83 Ca 0.00 -1.18 -0.08 0.00 1.01 0.00 0.00 58.87 58.62 1b8q n SER 83 Cb 0.00 -0.08 -0.01 0.00 -1.01 0.00 0.00 64.21 63.11 1b8q n SER 83 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1b8q n GLU 84 N -1.23 -2.67 -4.39 1.43 1.02 -1.26 -4.89 120.64 108.65 1b8q n GLU 84 Ca 0.02 0.24 -0.20 0.00 -0.02 0.00 0.00 57.16 57.21 1b8q n GLU 84 Cb 0.08 -4.80 -0.10 0.00 -0.02 0.00 0.00 31.44 26.61 1b8q n GLU 84 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1b8q s THR 85 N -2.34 1.75 0.55 2.62 -1.32 -1.26 -5.05 115.64 110.59 1b8q s THR 85 Ca 0.08 -2.19 0.08 0.00 -1.21 0.00 0.00 61.69 58.45 1b8q s THR 85 Cb -0.04 -2.22 0.07 0.00 -1.51 0.00 0.00 72.50 68.80 1b8q s THR 85 CO 0.10 -0.47 0.76 -1.00 -2.21 0.00 0.00 174.62 171.80 1b8q s HIS 86 N -2.96 1.74 0.03 9.09 3.76 -1.26 -2.63 115.29 123.06 1b8q s HIS 86 Ca 0.26 -0.60 -0.11 0.00 -0.15 0.00 0.00 55.06 54.45 1b8q s HIS 86 Cb 0.01 -2.32 0.01 0.00 1.11 0.00 0.00 32.58 31.38 1b8q s HIS 86 CO 0.09 -1.04 0.23 0.54 -0.85 0.00 0.00 174.74 173.71 1b8q s VAL 87 N -2.64 0.09 0.26 -0.90 0.11 0.41 -4.70 120.40 113.03 1b8q s VAL 87 Ca 0.61 -0.76 0.10 0.00 -2.93 0.00 0.00 61.98 59.00 1b8q s VAL 87 Cb -0.07 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 1b8q s VAL 87 CO 0.38 -0.42 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.01 1b8q s VAL 88 N -2.24 3.34 0.11 2.04 1.01 -1.26 0.00 120.40 123.39 1b8q s VAL 88 Ca -0.07 -1.95 -0.16 0.00 0.00 0.00 0.00 61.98 59.79 1b8q s VAL 88 Cb -0.02 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.62 1b8q s VAL 88 CO -0.02 -0.36 0.39 -1.48 0.00 0.00 0.00 175.10 173.63 1b8q s LEU 89 N -3.61 0.46 -0.08 3.92 2.34 0.29 -0.53 118.68 121.48 1b8q s LEU 89 Ca 0.31 -0.28 0.00 0.00 0.06 0.00 0.00 54.13 54.23 1b8q s LEU 89 Cb -0.06 1.77 0.02 0.00 -0.56 0.00 0.00 46.19 47.36 1b8q s LEU 89 CO 0.19 -0.81 -0.06 -0.63 -1.06 0.00 0.00 176.35 173.98 1b8q s ILE 90 N -3.55 0.79 0.26 1.48 -1.09 -0.70 0.15 121.20 118.54 1b8q s ILE 90 Ca 0.01 -0.20 0.05 0.00 -2.23 0.00 0.00 60.65 58.29 1b8q s ILE 90 Cb 0.02 -0.82 -0.03 0.00 -1.58 0.00 0.00 42.46 40.05 1b8q s ILE 90 CO -0.10 0.31 0.39 -0.76 -1.23 0.00 0.00 174.94 173.55 1b8q s LEU 91 N 1.38 4.25 0.10 2.97 1.43 -0.19 -2.50 118.68 126.12 1b8q s LEU 91 Ca -0.03 0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.20 1b8q s LEU 91 Cb -0.14 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 1b8q s LEU 91 CO -0.03 -0.13 0.05 -0.13 0.23 0.00 0.00 176.35 176.33 1b8q s ARG 92 N -4.04 2.71 0.00 1.70 3.00 -0.90 -1.95 118.95 119.47 1b8q s ARG 92 Ca 0.36 -0.80 0.00 0.00 0.00 0.00 0.00 55.73 55.29 1b8q s ARG 92 Cb -0.09 -2.61 0.00 0.00 0.00 0.00 0.00 34.95 32.24 1b8q s ARG 92 CO 0.30 0.54 0.00 0.41 0.00 0.00 0.00 175.30 176.55 1b8q n GLY 93 N 0.38 3.31 0.00 -3.53 0.00 -1.22 0.12 105.19 104.24 1b8q n GLY 93 Ca -0.10 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1b8q n GLY 93 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1b8q n PRO 94 N 0.00 2.10 -3.71 1.61 -0.02 -1.26 -4.60 135.00 129.12 1b8q n PRO 94 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1b8q n PRO 94 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.35 1b8q n PRO 94 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1b8q s GLU 95 N 0.00 0.20 0.00 -0.52 2.02 -1.26 -4.69 118.70 114.46 1b8q s GLU 95 Ca 0.00 0.59 0.00 0.00 0.02 0.00 0.00 54.97 55.58 1b8q s GLU 95 Cb 0.00 -0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.13 1b8q s GLU 95 CO 0.00 -0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.50 1b8q n GLY 96 N 4.47 0.48 3.12 -1.39 0.00 -1.26 -4.81 105.19 105.81 1b8q n GLY 96 Ca -0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 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 1.06 -0.33 1.61 0.40 -1.26 0.10 117.98 117.56 1b8q s PHE 97 Ca 0.00 -0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 55.77 1b8q s PHE 97 Cb 0.00 -0.62 -0.01 0.00 0.51 0.00 0.00 43.02 42.90 1b8q s PHE 97 CO 0.00 0.01 0.49 0.95 0.70 0.00 0.00 175.22 177.37 1b8q s THR 98 N -1.00 5.05 -0.73 0.64 -4.23 0.15 -4.72 115.64 110.80 1b8q s THR 98 Ca -0.02 0.42 -0.12 0.00 -1.18 0.00 0.00 61.69 60.79 1b8q s THR 98 Cb -0.08 -3.91 0.19 0.00 1.34 0.00 0.00 72.50 70.04 1b8q s THR 98 CO 0.01 -0.13 0.65 0.28 -0.54 0.00 0.00 174.62 174.89 1b8q s THR 99 N 2.32 5.16 0.00 3.99 -1.32 -1.24 -0.37 115.64 124.18 1b8q s THR 99 Ca 0.18 -2.35 0.00 0.00 -1.21 0.00 0.00 61.69 58.31 1b8q s THR 99 Cb -0.16 -4.24 0.00 0.00 -1.51 0.00 0.00 72.50 66.60 1b8q s THR 99 CO 0.12 -0.96 0.00 1.57 -2.21 0.00 0.00 174.62 173.14 1b8q n HIS 100 N 4.15 -2.11 -5.01 9.09 -0.00 -0.11 -4.50 115.22 116.73 1b8q n HIS 100 Ca 0.07 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.96 1b8q n HIS 100 Cb 0.44 0.00 -0.17 0.00 -0.12 0.00 0.00 29.99 30.14 1b8q n HIS 100 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 1b8q s LEU 101 N 0.00 1.94 0.00 0.27 2.34 -1.26 -1.56 118.68 120.41 1b8q s LEU 101 Ca 0.00 -0.46 0.00 0.00 0.06 0.00 0.00 54.13 53.73 1b8q s LEU 101 Cb 0.00 -1.20 0.00 0.00 -0.56 0.00 0.00 46.19 44.43 1b8q s LEU 101 CO 0.00 0.13 0.00 1.21 -1.06 0.00 0.00 176.35 176.63 1b8q n GLU 102 N 3.52 0.00 0.00 1.48 2.13 -1.00 -4.90 120.64 121.87 1b8q n GLU 102 Ca -0.20 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.62 1b8q n GLU 102 Cb 0.53 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.24 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 -3.58 6.31 5.66 -1.11 -4.92 114.28 116.65 1b8q n THR 103 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 1b8q n THR 103 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1b8q n THR 103 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1b8q s THR 104 N -1.73 0.00 0.62 1.09 -1.32 -1.26 -4.14 115.64 108.91 1b8q s THR 104 Ca 0.00 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.34 1b8q s THR 104 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 1b8q s THR 104 CO 0.00 0.00 1.05 0.72 -2.21 0.00 0.00 174.62 174.18 1b8q s PHE 105 N -0.76 3.06 0.17 9.09 -0.71 -1.26 -4.28 117.98 123.30 1b8q s PHE 105 Ca -0.03 1.48 -0.24 0.00 -1.04 0.00 0.00 56.93 57.09 1b8q s PHE 105 Cb -0.02 -2.95 0.06 0.00 -1.21 0.00 0.00 43.02 38.90 1b8q s PHE 105 CO 0.02 -1.10 0.87 -0.08 -1.34 0.00 0.00 175.22 173.59 1b8q s THR 106 N -2.67 0.00 0.36 -4.49 -1.32 -1.26 -4.89 115.64 101.37 1b8q s THR 106 Ca 0.61 -0.66 -0.28 0.00 -1.21 0.00 0.00 61.69 60.15 1b8q s THR 106 Cb -0.15 -1.86 -0.11 0.00 -1.51 0.00 0.00 72.50 68.88 1b8q s THR 106 CO 0.43 0.00 1.51 -0.83 -2.21 0.00 0.00 174.62 173.52 1b8q s GLY 107 N -2.89 2.79 -1.47 6.08 0.00 -1.26 -1.03 107.32 109.54 1b8q s GLY 107 Ca 0.11 1.58 -0.03 0.00 0.00 0.00 0.00 44.72 46.38 1b8q s GLY 107 CO 0.02 2.32 0.34 1.22 0.00 0.00 0.00 173.10 177.00 1b8q n ASP 108 N 0.77 -5.56 0.16 1.64 9.92 -1.26 -4.73 116.55 117.49 1b8q n ASP 108 Ca 0.02 -0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1b8q n ASP 108 Cb 0.39 -4.48 0.00 0.00 -0.64 0.00 0.00 41.12 36.39 1b8q n ASP 108 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b8q n GLY 109 N -1.28 -1.43 3.51 0.44 0.00 -0.95 -5.05 105.19 100.42 1b8q n GLY 109 Ca -0.15 0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1b8q n GLY 109 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1b8q n THR 110 N -3.23 -1.66 0.23 2.61 5.66 -0.20 -4.87 114.28 112.82 1b8q n THR 110 Ca 0.00 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.06 1b8q n THR 110 Cb 0.00 -2.63 0.52 0.00 -1.55 0.00 0.00 70.33 66.67 1b8q n THR 110 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1b8q h PRO 111 N -1.54 0.00 -1.05 1.09 0.13 -1.85 -2.21 132.00 126.57 1b8q h PRO 111 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1b8q h PRO 111 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1b8q h PRO 111 CO 0.60 0.18 -0.25 1.17 -0.23 0.00 0.00 178.00 179.46 1b8q n LYS 112 N -4.29 -1.32 -0.48 0.86 0.00 -1.26 -4.37 118.16 107.30 1b8q n LYS 112 Ca -0.02 0.97 0.40 0.00 0.00 0.00 0.00 58.31 59.65 1b8q n LYS 112 Cb 0.24 -1.07 0.71 0.00 0.00 0.00 0.00 35.03 34.91 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 0.65 0.21 -2.79 3.15 2.02 -1.75 -3.10 112.91 111.29 1b8q h THR 113 Ca 0.00 -0.03 -0.70 0.00 0.77 0.00 0.00 66.41 66.45 1b8q h THR 113 Cb 0.00 0.13 -0.19 0.00 -1.74 0.00 0.00 68.15 66.34 1b8q h THR 113 CO 0.00 0.01 0.52 -0.51 0.37 0.00 0.00 175.52 175.91 1b8q s ILE 114 N -5.11 4.85 -0.35 3.11 1.10 -1.26 -2.39 121.20 121.16 1b8q s ILE 114 Ca -0.06 -1.46 0.06 0.00 -0.51 0.00 0.00 60.65 58.68 1b8q s ILE 114 Cb 0.27 -4.65 0.19 0.00 0.15 0.00 0.00 42.46 38.41 1b8q s ILE 114 CO 0.84 -1.34 0.62 -0.60 -2.11 0.00 0.00 174.94 172.35 1b8q s ARG 115 N 2.42 0.67 -0.46 3.50 3.00 -0.60 -4.79 118.95 122.69 1b8q s ARG 115 Ca 0.24 0.15 0.07 0.00 -1.00 0.00 0.00 55.73 55.19 1b8q s ARG 115 Cb -0.11 0.17 0.28 0.00 0.00 0.00 0.00 34.95 35.29 1b8q s ARG 115 CO -0.04 -1.09 0.95 0.28 0.00 0.00 0.00 175.30 175.40 1b8q n VAL 116 N 4.91 -0.07 -2.53 7.11 0.31 -0.79 -4.40 118.33 122.88 1b8q n VAL 116 Ca 0.08 -1.95 -0.42 0.00 -0.01 0.00 0.00 64.34 62.04 1b8q n VAL 116 Cb 0.56 1.09 -0.03 0.00 -0.91 0.00 0.00 33.84 34.55 1b8q n VAL 116 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1b8q s THR 117 N 0.11 4.40 -0.01 2.52 2.01 -1.22 -0.94 115.64 122.50 1b8q s THR 117 Ca 0.29 1.72 0.02 0.00 0.31 0.00 0.00 61.69 64.03 1b8q s THR 117 Cb 0.26 -4.10 -0.00 0.00 0.01 0.00 0.00 72.50 68.67 1b8q s THR 117 CO -0.14 0.05 -0.08 0.00 -0.69 0.00 0.00 174.62 173.76 1b8q s GLN 118 N 1.71 0.73 -0.27 4.92 -2.07 0.50 -4.87 119.66 120.32 1b8q s GLN 118 Ca 0.55 -0.29 -0.34 0.00 -1.82 0.00 0.00 55.36 53.45 1b8q s GLN 118 Cb -0.24 -0.71 -0.11 0.00 -1.09 0.00 0.00 33.01 30.86 1b8q s GLN 118 CO 0.24 0.15 2.09 -0.35 -1.32 0.00 0.00 175.29 176.11 1b8q n PRO 119 N 3.01 1.45 -0.05 9.60 -0.04 -1.26 0.31 135.00 148.02 1b8q n PRO 119 Ca -0.15 0.44 -0.04 0.00 -0.04 0.00 0.00 63.50 63.72 1b8q n PRO 119 Cb 0.56 -2.59 -0.08 0.00 -0.04 0.00 0.00 33.50 31.35 1b8q n PRO 119 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1b8q n LEU 120 N 9.10 0.00 -0.24 1.53 -0.00 0.29 -4.84 117.00 122.83 1b8q n LEU 120 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.35 1b8q n LEU 120 Cb 0.27 0.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1b8q n LEU 120 CO 0.74 0.23 0.00 0.61 -0.00 0.00 0.00 177.39 178.97 1b8q n GLY 121 N 2.30 -0.14 3.52 1.47 0.00 0.85 -4.97 105.19 108.22 1b8q n GLY 121 Ca -0.15 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 1b8q n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b8q s PRO 122 N -0.80 -0.73 0.68 1.61 0.04 -1.26 -4.82 135.00 129.73 1b8q s PRO 122 Ca 0.00 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 61.70 1b8q s PRO 122 Cb 0.00 -1.58 -0.05 0.00 0.04 0.00 0.00 34.50 32.92 1b8q s PRO 122 CO 0.00 -3.60 0.59 -2.30 0.04 0.00 0.00 177.00 171.73 1b8q n PRO 123 N -4.83 0.40 -3.58 0.56 -0.02 -1.26 -5.02 135.00 121.25 1b8q n PRO 123 Ca 0.04 0.17 -0.07 0.00 -2.02 0.00 0.00 63.50 61.62 1b8q n PRO 123 Cb 0.54 -1.86 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 1b8q n PRO 123 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1b8q s THR 124 N -1.84 0.00 0.06 3.45 -1.32 -1.26 -5.18 115.64 109.55 1b8q s THR 124 Ca 0.67 -0.22 -0.26 0.00 -1.21 0.00 0.00 61.69 60.67 1b8q s THR 124 Cb -0.37 -1.34 0.09 0.00 -1.51 0.00 0.00 72.50 69.37 1b8q s THR 124 CO 0.56 0.00 1.20 -0.75 -2.21 0.00 0.00 174.62 173.42 1b8q s LYS 125 N -3.18 0.72 -1.98 7.08 2.20 -1.26 -4.97 119.74 118.35 1b8q s LYS 125 Ca 0.07 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 1b8q s LYS 125 Cb -0.01 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 1b8q s LYS 125 CO -0.05 -0.34 0.00 0.00 -0.36 0.00 0.00 175.35 174.60 1b8q n ALA 126 N -0.85 -0.28 1.61 3.13 0.00 -1.26 -5.34 120.51 117.52 1b8q n ALA 126 Ca 0.02 0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.89 1b8q n ALA 126 Cb 0.59 -2.00 0.77 0.00 0.00 0.00 0.00 19.45 18.80 1b8q n ALA 126 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05