#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 0.23 0.00 1.61 7.64 -1.26 -4.87 113.62 116.97 1b8q n SER 2 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1b8q n SER 2 Cb 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1b8q n SER 2 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1b8q n HIS 3 N -2.62 0.00 -1.21 1.43 -0.00 -1.26 -4.80 115.22 106.75 1b8q n HIS 3 Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.42 1b8q n HIS 3 Cb 0.05 0.00 0.17 0.00 -0.00 0.00 0.00 29.99 30.21 1b8q n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1b8q s MET 4 N 0.00 0.54 -0.61 1.57 0.00 -1.26 -4.84 119.30 114.70 1b8q s MET 4 Ca 0.00 0.50 -0.26 0.00 0.00 0.00 0.00 55.69 55.93 1b8q s MET 4 Cb 0.00 -1.75 -0.10 0.00 0.00 0.00 0.00 34.83 32.97 1b8q s MET 4 CO 0.00 -2.65 2.43 1.51 0.00 0.00 0.00 175.02 176.31 1b8q n ILE 5 N -4.12 -0.06 -3.64 3.16 3.06 -1.26 -4.82 119.36 111.67 1b8q n ILE 5 Ca 0.05 -0.67 -0.04 0.00 -2.50 0.00 0.00 62.75 59.59 1b8q n ILE 5 Cb 0.57 -2.39 -0.06 0.00 0.54 0.00 0.00 39.64 38.30 1b8q n ILE 5 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1b8q s GLU 6 N 8.47 0.14 0.00 9.51 2.02 -1.26 -5.09 118.70 132.49 1b8q s GLU 6 Ca 1.00 0.13 0.00 0.00 0.02 0.00 0.00 54.97 56.13 1b8q s GLU 6 Cb -0.26 0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.04 1b8q s GLU 6 CO 0.24 -0.02 0.00 -0.35 0.02 0.00 0.00 175.26 175.15 1b8q n PRO 7 N 1.44 0.27 0.03 0.39 -0.04 -1.26 -4.82 135.00 131.01 1b8q n PRO 7 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1b8q n PRO 7 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1b8q n PRO 7 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1b8q n ASN 8 N -1.60 0.22 -3.15 3.54 2.85 -1.26 -4.65 115.26 111.21 1b8q n ASN 8 Ca 0.00 0.09 0.04 0.00 -0.11 0.00 0.00 54.58 54.60 1b8q n ASN 8 Cb 0.00 -0.02 -0.00 0.00 1.24 0.00 0.00 39.78 41.00 1b8q n ASN 8 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1b8q s VAL 9 N -1.33 -0.95 0.23 3.44 1.01 -1.26 0.13 120.40 121.66 1b8q s VAL 9 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1b8q s VAL 9 Cb 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 36.38 35.56 1b8q s VAL 9 CO 0.00 0.00 0.49 0.00 0.00 0.00 0.00 175.10 175.59 1b8q n ILE 10 N 5.30 0.00 -2.65 2.22 0.13 -0.80 -4.57 119.36 118.99 1b8q n ILE 10 Ca 0.06 -0.58 -0.21 0.00 -1.10 0.00 0.00 62.75 60.92 1b8q n ILE 10 Cb 0.55 0.59 0.05 0.00 -0.84 0.00 0.00 39.64 39.98 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 -2.27 5.15 0.32 9.51 1.04 -1.26 0.20 113.70 126.38 1b8q s SER 11 Ca 0.10 -0.10 -0.18 0.00 0.48 0.00 0.00 55.95 56.26 1b8q s SER 11 Cb -0.03 -0.71 0.03 0.00 0.10 0.00 0.00 66.02 65.41 1b8q s SER 11 CO 0.07 -1.24 0.71 0.68 0.98 0.00 0.00 173.24 174.44 1b8q s VAL 12 N -2.80 0.00 -0.19 5.02 -7.23 0.33 -4.71 120.40 110.82 1b8q s VAL 12 Ca 0.59 -1.06 -0.13 0.00 -1.81 0.00 0.00 61.98 59.56 1b8q s VAL 12 Cb -0.10 -2.37 0.06 0.00 0.56 0.00 0.00 36.38 34.53 1b8q s VAL 12 CO 0.39 0.00 0.47 0.00 -0.31 0.00 0.00 175.10 175.65 1b8q s ARG 13 N -3.30 0.50 0.03 4.82 1.70 -1.26 0.51 118.95 121.96 1b8q s ARG 13 Ca 0.15 0.77 0.04 0.00 -0.47 0.00 0.00 55.73 56.22 1b8q s ARG 13 Cb -0.05 0.13 -0.02 0.00 -0.57 0.00 0.00 34.95 34.44 1b8q s ARG 13 CO 0.09 -0.11 -0.12 -0.51 -1.08 0.00 0.00 175.30 173.57 1b8q s LEU 14 N 0.89 2.16 0.27 -1.89 1.02 1.00 -4.91 118.68 117.22 1b8q s LEU 14 Ca -0.05 -0.42 -0.15 0.00 0.02 0.00 0.00 54.13 53.53 1b8q s LEU 14 Cb -0.06 -0.50 -0.08 0.00 0.02 0.00 0.00 46.19 45.57 1b8q s LEU 14 CO -0.07 0.01 0.68 0.12 0.02 0.00 0.00 176.35 177.11 1b8q s PHE 15 N -0.82 3.46 -0.27 0.29 2.19 -1.26 0.14 117.98 121.71 1b8q s PHE 15 Ca -0.00 1.18 0.01 0.00 0.33 0.00 0.00 56.93 58.45 1b8q s PHE 15 Cb -0.07 -2.49 0.15 0.00 -1.31 0.00 0.00 43.02 39.30 1b8q s PHE 15 CO 0.01 0.21 1.10 1.17 1.83 0.00 0.00 175.22 179.54 1b8q n LYS 16 N 0.03 1.41 -2.40 10.12 3.00 -1.04 -3.66 118.16 125.62 1b8q n LYS 16 Ca 0.01 -0.66 -0.06 0.00 -0.00 0.00 0.00 58.31 57.60 1b8q n LYS 16 Cb 0.52 -1.35 -0.00 0.00 0.00 0.00 0.00 35.03 34.20 1b8q n LYS 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1b8q n ARG 17 N 0.14 -2.55 -1.76 1.64 5.12 -1.26 0.14 116.66 118.13 1b8q n ARG 17 Ca 0.11 0.28 -0.04 0.00 -1.93 0.00 0.00 57.85 56.28 1b8q n ARG 17 Cb 0.69 -4.81 -0.01 0.00 -1.16 0.00 0.00 32.46 27.17 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 -2.57 -1.89 -1.25 5.56 0.00 -1.26 -4.43 118.16 112.32 1b8q n LYS 18 Ca -0.07 0.20 -0.04 0.00 -0.00 0.00 0.00 58.31 58.40 1b8q n LYS 18 Cb 0.53 -4.49 -0.01 0.00 -0.00 0.00 0.00 35.03 31.06 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 -1.97 0.00 -3.57 0.58 0.24 -0.06 -4.48 118.33 109.07 1b8q n VAL 19 Ca -0.04 -0.19 -0.20 0.00 -2.04 0.00 0.00 64.34 61.87 1b8q n VAL 19 Cb 0.32 0.49 0.01 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 -0.30 -1.19 2.53 7.63 0.00 0.37 -4.97 105.19 109.27 1b8q n GLY 20 Ca -0.18 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 1.43 0.42 -0.02 0.00 -0.46 -4.95 105.19 99.90 1b8q n GLY 21 Ca -0.16 -0.58 0.21 0.00 0.00 0.00 0.00 46.02 45.50 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 3.53 0.00 0.00 0.99 4.07 -1.79 -3.36 115.31 118.74 1b8q h LEU 22 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1b8q h LEU 22 Cb 1.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.75 1b8q h LEU 22 CO 0.33 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.30 1b8q n GLY 23 N -1.53 1.19 3.63 0.83 0.00 -1.26 0.42 105.19 108.47 1b8q n GLY 23 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.80 0.84 1.61 -0.71 -1.26 -0.59 117.98 115.07 1b8q s PHE 24 Ca 0.00 1.93 -0.13 0.00 -1.04 0.00 0.00 56.93 57.70 1b8q s PHE 24 Cb 0.00 0.29 0.10 0.00 -1.21 0.00 0.00 43.02 42.20 1b8q s PHE 24 CO 0.00 -0.39 1.20 -0.51 -1.34 0.00 0.00 175.22 174.18 1b8q s LEU 25 N 0.43 2.50 0.00 -1.99 1.43 0.94 -4.80 118.68 117.19 1b8q s LEU 25 Ca -0.00 0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 53.61 1b8q s LEU 25 Cb -0.05 -3.11 0.04 0.00 0.03 0.00 0.00 46.19 43.09 1b8q s LEU 25 CO 0.00 -2.08 0.43 0.68 0.23 0.00 0.00 176.35 175.60 1b8q s VAL 26 N -3.61 0.05 -0.18 -1.59 -7.23 -1.26 -2.22 120.40 104.36 1b8q s VAL 26 Ca 0.64 -0.37 -0.04 0.00 -1.81 0.00 0.00 61.98 60.40 1b8q s VAL 26 Cb -0.10 -0.83 0.06 0.00 0.56 0.00 0.00 36.38 36.06 1b8q s VAL 26 CO 0.50 -0.21 0.06 -1.59 -0.31 0.00 0.00 175.10 173.56 1b8q s LYS 27 N -1.79 0.34 -0.61 4.82 -2.85 0.20 -4.83 119.74 115.02 1b8q s LYS 27 Ca -0.10 -0.23 -0.13 0.00 -1.00 0.00 0.00 55.97 54.51 1b8q s LYS 27 Cb -0.02 -1.93 0.15 0.00 -2.06 0.00 0.00 37.83 33.97 1b8q s LYS 27 CO 0.03 -0.65 0.54 -2.00 0.10 0.00 0.00 175.35 173.37 1b8q s GLU 28 N 2.01 3.04 -0.13 1.78 -6.30 -1.26 -2.11 118.70 115.73 1b8q s GLU 28 Ca 0.01 -1.97 -0.32 0.00 -2.50 0.00 0.00 54.97 50.18 1b8q s GLU 28 Cb -0.16 -4.23 -0.10 0.00 0.00 0.00 0.00 34.13 29.63 1b8q s GLU 28 CO -0.08 -1.29 2.01 0.54 0.02 0.00 0.00 175.26 176.46 1b8q n ARG 29 N 4.74 2.12 -0.14 4.30 5.12 -1.26 -4.76 116.66 126.78 1b8q n ARG 29 Ca -0.04 0.73 0.26 0.00 -1.93 0.00 0.00 57.85 56.87 1b8q n ARG 29 Cb 0.42 -2.80 0.52 0.00 -1.16 0.00 0.00 32.46 29.43 1b8q n ARG 29 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1b8q h VAL 30 N 6.05 0.09 -1.95 1.55 2.07 -1.95 -2.96 116.25 119.14 1b8q h VAL 30 Ca -0.45 0.00 -0.47 0.00 0.82 0.00 0.00 66.70 66.60 1b8q h VAL 30 Cb 1.27 0.16 -0.32 0.00 -1.52 0.00 0.00 31.29 30.88 1b8q h VAL 30 CO 0.96 0.00 -0.86 -1.20 0.02 0.00 0.00 177.57 176.49 1b8q n SER 31 N -3.35 -1.22 -3.75 0.57 7.64 -1.26 -5.02 113.62 107.23 1b8q n SER 31 Ca 0.19 -2.55 0.02 0.00 1.01 0.00 0.00 58.87 57.55 1b8q n SER 31 Cb 1.31 0.05 0.01 0.00 -1.01 0.00 0.00 64.21 64.57 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 0.18 0.41 0.18 1.43 1.02 -1.12 -5.18 119.74 116.67 1b8q s LYS 32 Ca 0.32 -0.26 -0.03 0.00 0.02 0.00 0.00 55.97 56.03 1b8q s LYS 32 Cb 0.04 0.12 0.04 0.00 -0.52 0.00 0.00 37.83 37.51 1b8q s LYS 32 CO -0.16 -0.19 0.09 -2.30 -0.92 0.00 0.00 175.35 171.87 1b8q n PRO 33 N -0.78 -0.94 -0.75 -1.68 -0.02 -1.26 -4.85 135.00 124.72 1b8q n PRO 33 Ca -0.00 -0.15 -0.24 0.00 -2.02 0.00 0.00 63.50 61.09 1b8q n PRO 33 Cb 0.60 -0.25 0.09 0.00 -0.02 0.00 0.00 33.50 33.92 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 -1.56 -0.98 -1.80 0.52 -0.02 -1.24 -4.71 135.00 125.21 1b8q n PRO 34 Ca 0.01 -0.29 -0.30 0.00 -2.02 0.00 0.00 63.50 60.91 1b8q n PRO 34 Cb 0.06 -1.28 0.06 0.00 -0.02 0.00 0.00 33.50 32.32 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 -2.07 3.38 0.15 -1.45 0.11 -1.09 -4.71 120.40 114.72 1b8q s VAL 35 Ca 0.33 0.45 -0.06 0.00 -2.93 0.00 0.00 61.98 59.77 1b8q s VAL 35 Cb -0.01 -3.38 -0.02 0.00 -1.53 0.00 0.00 36.38 31.44 1b8q s VAL 35 CO 0.43 -0.59 0.19 -0.51 -3.33 0.00 0.00 175.10 171.30 1b8q s ILE 36 N -3.31 0.09 0.31 7.04 1.10 -0.90 -4.47 121.20 121.06 1b8q s ILE 36 Ca 0.59 -1.57 -0.15 0.00 -0.51 0.00 0.00 60.65 59.01 1b8q s ILE 36 Cb -0.12 -1.88 -0.09 0.00 0.15 0.00 0.00 42.46 40.53 1b8q s ILE 36 CO 0.52 -0.39 0.72 -0.63 -2.11 0.00 0.00 174.94 173.05 1b8q s ILE 37 N -3.99 4.69 -0.07 2.00 1.01 -1.26 0.61 121.20 124.19 1b8q s ILE 37 Ca 0.19 0.94 0.01 0.00 0.00 0.00 0.00 60.65 61.78 1b8q s ILE 37 Cb 0.05 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 1b8q s ILE 37 CO -0.00 -0.14 -0.06 -0.24 0.00 0.00 0.00 174.94 174.50 1b8q n SER 38 N -0.25 3.47 -3.64 3.58 2.88 -0.94 -2.61 113.62 116.10 1b8q n SER 38 Ca 0.03 -0.04 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1b8q n SER 38 Cb 0.53 -0.08 -0.07 0.00 -0.75 0.00 0.00 64.21 63.84 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 -4.63 -0.27 -0.64 -3.46 -1.08 -1.26 -4.68 116.67 100.65 1b8q s ASP 39 Ca -0.09 0.48 -0.26 0.00 -0.52 0.00 0.00 52.55 52.16 1b8q s ASP 39 Cb 0.02 0.76 -0.02 0.00 -1.46 0.00 0.00 42.92 42.22 1b8q s ASP 39 CO 0.16 -0.08 1.83 -0.76 0.52 0.00 0.00 175.17 176.84 1b8q s LEU 40 N 0.59 3.27 0.10 -1.34 1.43 -1.26 -0.04 118.68 121.43 1b8q s LEU 40 Ca -0.01 0.23 -0.33 0.00 -1.03 0.00 0.00 54.13 52.99 1b8q s LEU 40 Cb -0.04 -2.53 -0.14 0.00 0.03 0.00 0.00 46.19 43.51 1b8q s LEU 40 CO -0.12 -2.37 1.58 -0.29 0.23 0.00 0.00 176.35 175.39 1b8q h ILE 41 N 6.86 0.11 0.00 -0.59 6.09 -1.16 -3.40 117.51 125.42 1b8q h ILE 41 Ca -0.24 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.25 1b8q h ILE 41 Cb 1.15 0.11 0.00 0.00 0.47 0.00 0.00 36.82 38.55 1b8q h ILE 41 CO 1.22 0.00 -0.11 0.54 -3.07 0.00 0.00 178.15 176.74 1b8q n ARG 42 N -5.50 0.08 0.00 2.19 1.74 -1.24 -4.99 116.66 108.93 1b8q n ARG 42 Ca -0.10 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1b8q n ARG 42 Cb 0.41 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 1b8q n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b8q n GLY 43 N 1.65 1.54 0.00 -0.13 0.00 -1.26 -5.00 105.19 101.99 1b8q n GLY 43 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.80 0.00 0.00 -0.02 0.00 -1.26 -4.22 105.19 98.89 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 -1.44 0.00 0.46 4.61 0.00 -1.26 -4.13 120.51 118.74 1b8q n ALA 45 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1b8q n ALA 45 Cb 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.21 -1.01 0.00 0.00 -0.31 -2.24 119.26 112.49 1b8q h ALA 46 Ca 0.00 -0.26 0.24 0.00 0.00 0.00 0.00 54.91 54.90 1b8q h ALA 46 Cb 0.00 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 18.13 1b8q h ALA 46 CO 0.00 -1.12 0.60 1.49 0.00 0.00 0.00 179.25 180.22 1b8q h GLU 47 N -1.28 0.56 -0.56 0.00 4.57 -1.78 0.88 114.58 116.97 1b8q h GLU 47 Ca -0.12 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 1b8q h GLU 47 Cb 0.90 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.34 1b8q h GLU 47 CO 0.20 0.37 0.26 0.37 -1.18 0.00 0.00 179.01 179.03 1b8q h GLN 48 N 0.58 0.78 -0.48 1.92 5.75 -1.68 -1.85 115.11 120.13 1b8q h GLN 48 Ca 0.64 -0.10 0.08 0.00 -0.15 0.00 0.00 58.65 59.12 1b8q h GLN 48 Cb 1.23 -0.15 -0.06 0.00 1.07 0.00 0.00 27.48 29.56 1b8q h GLN 48 CO -0.45 0.61 0.11 1.03 -2.65 0.00 0.00 178.83 177.48 1b8q h SER 49 N 0.78 0.03 0.00 -0.69 0.87 0.14 -3.47 113.55 111.21 1b8q h SER 49 Ca 0.19 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1b8q h SER 49 Cb 0.09 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1b8q h SER 49 CO -0.03 0.05 0.00 0.61 -0.53 0.00 0.00 176.83 176.93 1b8q n GLY 50 N -1.27 3.02 0.09 5.77 0.00 -0.70 -2.59 105.19 109.51 1b8q n GLY 50 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 0.70 -4.66 0.99 -0.00 -1.26 -4.84 117.00 107.93 1b8q n LEU 51 Ca 0.00 0.21 -0.43 0.00 -0.00 0.00 0.00 56.01 55.79 1b8q n LEU 51 Cb 0.00 0.19 -0.02 0.00 -0.00 0.00 0.00 43.42 43.59 1b8q n LEU 51 CO 0.00 0.49 0.90 -0.63 -0.00 0.00 0.00 177.39 178.15 1b8q s ILE 52 N -2.55 4.67 0.06 1.47 1.09 -1.26 -4.66 121.20 120.03 1b8q s ILE 52 Ca -0.09 1.96 -0.17 0.00 -1.10 0.00 0.00 60.65 61.25 1b8q s ILE 52 Cb 0.07 -4.30 0.03 0.00 -1.06 0.00 0.00 42.46 37.20 1b8q s ILE 52 CO 0.81 -0.20 0.39 -1.10 -0.10 0.00 0.00 174.94 174.74 1b8q s GLN 53 N 3.22 0.92 0.01 2.79 -0.21 -1.26 -3.95 119.66 121.17 1b8q s GLN 53 Ca 0.43 -0.46 -0.30 0.00 0.02 0.00 0.00 55.36 55.05 1b8q s GLN 53 Cb -0.15 0.41 -0.06 0.00 1.00 0.00 0.00 33.01 34.21 1b8q s GLN 53 CO 0.07 -0.32 1.54 0.00 -2.12 0.00 0.00 175.29 174.46 1b8q s ALA 54 N -2.75 3.63 0.00 6.09 0.00 -1.26 -1.64 121.76 125.83 1b8q s ALA 54 Ca -0.04 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1b8q s ALA 54 Cb -0.00 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1b8q s ALA 54 CO -0.04 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.03 1b8q n GLY 55 N 3.87 0.84 0.00 0.00 0.00 -1.07 -4.95 105.19 103.88 1b8q n GLY 55 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.62 1.61 9.92 -0.65 -4.96 116.55 118.85 1b8q n ASP 56 Ca 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.22 1b8q n ASP 56 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 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 -0.33 -0.40 0.53 1.10 -1.26 -4.96 121.20 115.89 1b8q s ILE 57 Ca 0.00 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.18 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 0.44 -0.51 -2.11 0.00 0.00 174.94 172.76 1b8q s ILE 58 N 2.02 -0.40 -0.04 2.00 1.10 -1.26 -4.80 121.20 119.82 1b8q s ILE 58 Ca -0.08 -1.07 -0.01 0.00 -0.51 0.00 0.00 60.65 58.99 1b8q s ILE 58 Cb -0.07 -0.58 -0.00 0.00 0.15 0.00 0.00 42.46 41.96 1b8q s ILE 58 CO -0.19 -0.53 -0.01 0.25 -2.11 0.00 0.00 174.94 172.35 1b8q h LEU 59 N 6.67 0.00 -9.20 8.50 5.85 -1.76 -3.35 115.31 122.02 1b8q h LEU 59 Ca 0.08 0.00 -0.62 0.00 0.84 0.00 0.00 57.88 58.18 1b8q h LEU 59 Cb 1.06 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.94 1b8q h LEU 59 CO 0.18 0.20 -0.76 0.00 -0.34 0.00 0.00 178.44 177.72 1b8q s ALA 60 N -2.85 2.75 -0.05 1.25 0.00 -1.04 -3.80 121.76 118.03 1b8q s ALA 60 Ca -0.01 -1.79 -0.20 0.00 0.00 0.00 0.00 51.96 49.96 1b8q s ALA 60 Cb 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 22.82 1b8q s ALA 60 CO 0.01 0.32 0.45 0.08 0.00 0.00 0.00 175.76 176.62 1b8q s VAL 61 N -2.27 0.03 -1.58 0.00 1.01 -1.16 -2.13 120.40 114.31 1b8q s VAL 61 Ca 0.28 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 1b8q s VAL 61 Cb -0.06 -0.74 0.06 0.00 0.00 0.00 0.00 36.38 35.64 1b8q s VAL 61 CO 0.14 -0.14 0.38 -0.46 0.00 0.00 0.00 175.10 175.02 1b8q n ASN 62 N 1.37 -0.72 -2.08 3.32 0.23 0.34 0.60 115.26 118.31 1b8q n ASN 62 Ca -0.20 -1.13 -0.13 0.00 -0.53 0.00 0.00 54.58 52.60 1b8q n ASN 62 Cb 0.56 -2.34 -0.02 0.00 -2.08 0.00 0.00 39.78 35.90 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 -2.82 -3.75 -4.27 0.53 2.03 -1.25 -4.92 116.55 102.11 1b8q n ASP 63 Ca -0.18 0.23 -0.36 0.00 0.52 0.00 0.00 54.79 55.00 1b8q n ASP 63 Cb 0.62 -3.29 -0.13 0.00 -0.72 0.00 0.00 41.12 37.60 1b8q n ASP 63 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1b8q s ARG 64 N -4.37 2.87 -0.93 -0.67 1.81 0.20 -5.02 118.95 112.84 1b8q s ARG 64 Ca 0.00 -0.99 -0.26 0.00 -1.72 0.00 0.00 55.73 52.77 1b8q s ARG 64 Cb 0.00 -3.23 -0.19 0.00 -0.45 0.00 0.00 34.95 31.08 1b8q s ARG 64 CO 0.00 -0.48 2.24 -2.30 -0.68 0.00 0.00 175.30 174.08 1b8q n PRO 65 N 4.76 0.31 -2.03 3.54 -0.02 -1.26 -3.00 135.00 137.29 1b8q n PRO 65 Ca -0.15 -1.25 -0.41 0.00 -2.02 0.00 0.00 63.50 59.67 1b8q n PRO 65 Cb 0.47 -3.73 -0.00 0.00 -0.02 0.00 0.00 33.50 30.22 1b8q n PRO 65 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1b8q n LEU 66 N 18.93 7.24 0.05 2.45 7.94 -1.25 -4.21 117.00 148.15 1b8q n LEU 66 Ca 0.43 -4.58 0.00 0.00 -1.11 0.00 0.00 56.01 50.76 1b8q n LEU 66 Cb 0.45 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.90 1b8q n LEU 66 CO 0.57 1.56 -0.14 1.33 -1.11 0.00 0.00 177.39 179.60 1b8q n VAL 67 N 3.33 0.37 -2.30 1.96 0.24 -1.26 -2.66 118.33 118.01 1b8q n VAL 67 Ca 0.51 0.12 0.02 0.00 -2.04 0.00 0.00 64.34 62.96 1b8q n VAL 67 Cb 0.33 -1.10 0.01 0.00 -1.47 0.00 0.00 33.84 31.61 1b8q n VAL 67 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1b8q n ASP 68 N -3.16 0.60 -3.63 -1.34 2.03 -1.26 -3.69 116.55 106.10 1b8q n ASP 68 Ca 0.00 -2.00 -0.13 0.00 0.52 0.00 0.00 54.79 53.18 1b8q n ASP 68 Cb 0.14 -0.26 0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1b8q n ASP 68 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b8q n LEU 69 N 0.30 0.00 -4.56 -2.67 -0.00 -1.26 -4.99 117.00 103.83 1b8q n LEU 69 Ca 0.04 -1.37 -0.40 0.00 -0.00 0.00 0.00 56.01 54.28 1b8q n LEU 69 Cb 0.97 -0.35 -0.03 0.00 -0.00 0.00 0.00 43.42 44.01 1b8q n LEU 69 CO -0.02 -0.74 1.50 -0.44 -0.00 0.00 0.00 177.39 177.68 1b8q s SER 70 N -3.39 5.56 0.18 1.45 0.01 -1.26 -4.87 113.70 111.37 1b8q s SER 70 Ca 0.39 0.31 -0.27 0.00 1.31 0.00 0.00 55.95 57.69 1b8q s SER 70 Cb -0.03 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.69 1b8q s SER 70 CO 0.26 -2.16 1.55 0.22 0.41 0.00 0.00 173.24 173.51 1b8q h TYR 71 N 13.60 -1.64 -0.04 2.43 3.20 -1.94 0.92 116.97 133.50 1b8q h TYR 71 Ca -0.27 0.12 0.01 0.00 3.14 0.00 0.00 58.73 61.73 1b8q h TYR 71 Cb 1.14 0.85 -0.00 0.00 1.54 0.00 0.00 36.73 40.25 1b8q h TYR 71 CO 1.05 -0.39 0.04 0.38 -1.64 0.00 0.00 178.16 177.60 1b8q h ASP 72 N -0.03 0.00 0.02 -2.11 3.04 -1.93 0.10 116.42 115.51 1b8q h ASP 72 Ca 0.21 0.00 -0.22 0.00 -3.24 0.00 0.00 57.03 53.78 1b8q h ASP 72 Cb 0.48 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.79 1b8q h ASP 72 CO -0.92 0.00 -0.86 -1.28 -2.04 0.00 0.00 179.24 174.13 1b8q h SER 73 N 0.00 0.73 -0.29 4.15 0.87 0.32 -1.62 113.55 117.71 1b8q h SER 73 Ca 0.02 -0.76 -0.10 0.00 -1.23 0.00 0.00 61.79 59.72 1b8q h SER 73 Cb 0.10 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 1b8q h SER 73 CO -0.00 1.40 -0.16 0.00 -0.53 0.00 0.00 176.83 177.54 1b8q h ALA 74 N 0.34 0.98 0.00 6.23 0.00 0.32 -1.61 119.26 125.52 1b8q h ALA 74 Ca -0.11 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.35 1b8q h ALA 74 Cb 1.55 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1b8q h ALA 74 CO 0.17 0.60 -0.53 -0.07 0.00 0.00 0.00 179.25 179.43 1b8q h LEU 75 N 0.66 0.00 -0.03 0.00 3.38 -0.84 -2.37 115.31 116.10 1b8q h LEU 75 Ca 0.10 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.81 1b8q h LEU 75 Cb 0.64 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1b8q h LEU 75 CO 0.05 0.53 -1.07 1.05 0.09 0.00 0.00 178.44 179.08 1b8q h GLU 76 N 0.00 0.53 -0.54 1.13 4.11 -0.93 0.00 114.58 118.89 1b8q h GLU 76 Ca -0.01 -0.63 -0.03 0.00 0.07 0.00 0.00 59.36 58.77 1b8q h GLU 76 Cb 0.95 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1b8q h GLU 76 CO 0.07 1.24 0.23 0.28 0.07 0.00 0.00 179.01 180.91 1b8q h VAL 77 N 0.27 1.21 0.00 -1.06 2.07 -1.20 -1.87 116.25 115.67 1b8q h VAL 77 Ca -0.13 -0.63 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 1b8q h VAL 77 Cb 1.73 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1b8q h VAL 77 CO 0.20 0.25 -0.47 0.17 0.02 0.00 0.00 177.57 177.73 1b8q h LEU 78 N 0.73 0.00 -1.12 2.57 8.10 -1.45 -3.01 115.31 121.13 1b8q h LEU 78 Ca 0.18 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 58.12 1b8q h LEU 78 Cb 0.17 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.37 1b8q h LEU 78 CO -0.02 0.47 0.02 -0.09 -4.11 0.00 0.00 178.44 174.72 1b8q h ARG 79 N 0.00 0.64 0.00 0.17 9.65 -0.26 -1.87 114.38 122.71 1b8q h ARG 79 Ca -0.00 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 1b8q h ARG 79 Cb 1.05 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 1b8q h ARG 79 CO 0.06 0.65 0.00 0.78 2.80 0.00 0.00 179.97 184.26 1b8q h GLY 80 N 0.90 0.00 -7.24 2.80 0.00 -1.22 -3.42 103.07 94.89 1b8q h GLY 80 Ca 0.13 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.92 1b8q h GLY 80 CO 0.01 0.00 1.56 1.39 0.00 0.00 0.00 176.54 179.50 1b8q n ILE 81 N -3.04 0.14 0.00 2.60 5.41 -0.71 -4.94 119.36 118.83 1b8q n ILE 81 Ca -0.02 -0.58 0.00 0.00 1.00 0.00 0.00 62.75 63.14 1b8q n ILE 81 Cb 0.11 -2.56 0.00 0.00 -0.71 0.00 0.00 39.64 36.48 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 13.36 0.00 -2.58 -1.39 0.00 -1.26 -4.82 120.51 123.81 1b8q n ALA 82 Ca 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.75 1b8q n ALA 82 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.45 0.24 -2.80 0.00 7.64 -1.26 -4.49 113.62 111.50 1b8q n SER 83 Ca 0.00 -1.19 -0.10 0.00 1.01 0.00 0.00 58.87 58.59 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 -2.64 -4.34 1.43 -0.58 -1.26 -4.89 120.64 107.13 1b8q n GLU 84 Ca 0.02 0.20 -0.18 0.00 -0.42 0.00 0.00 57.16 56.79 1b8q n GLU 84 Cb 0.09 -4.76 -0.10 0.00 -0.57 0.00 0.00 31.44 26.09 1b8q n GLU 84 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1b8q s THR 85 N -2.38 1.41 0.52 2.62 -1.32 -1.26 -5.05 115.64 110.18 1b8q s THR 85 Ca 0.13 -2.11 0.08 0.00 -1.21 0.00 0.00 61.69 58.58 1b8q s THR 85 Cb -0.07 -2.16 0.04 0.00 -1.51 0.00 0.00 72.50 68.80 1b8q s THR 85 CO 0.16 -0.50 0.55 -1.00 -2.21 0.00 0.00 174.62 171.62 1b8q s HIS 86 N -3.18 1.87 0.08 9.09 3.76 -1.26 -2.51 115.29 123.15 1b8q s HIS 86 Ca 0.24 -0.69 -0.09 0.00 -0.15 0.00 0.00 55.06 54.37 1b8q s HIS 86 Cb 0.03 -2.11 -0.00 0.00 1.11 0.00 0.00 32.58 31.60 1b8q s HIS 86 CO 0.07 -0.64 0.19 0.54 -0.85 0.00 0.00 174.74 174.05 1b8q s VAL 87 N -2.64 0.14 0.26 -0.90 0.11 0.37 -4.76 120.40 112.97 1b8q s VAL 87 Ca 0.49 -1.13 0.11 0.00 -2.93 0.00 0.00 61.98 58.52 1b8q s VAL 87 Cb -0.04 -1.27 -0.05 0.00 -1.53 0.00 0.00 36.38 33.49 1b8q s VAL 87 CO 0.30 -0.63 -0.18 -0.69 -3.33 0.00 0.00 175.10 170.58 1b8q s VAL 88 N -3.66 2.61 0.27 2.04 1.01 -1.26 -0.00 120.40 121.41 1b8q s VAL 88 Ca 0.03 -2.24 -0.21 0.00 0.00 0.00 0.00 61.98 59.56 1b8q s VAL 88 Cb 0.04 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 34.09 1b8q s VAL 88 CO -0.10 -0.33 0.72 -1.48 0.00 0.00 0.00 175.10 173.92 1b8q s LEU 89 N -3.33 -0.27 -0.06 3.92 2.34 0.18 0.13 118.68 121.59 1b8q s LEU 89 Ca 0.28 -0.58 0.02 0.00 0.06 0.00 0.00 54.13 53.91 1b8q s LEU 89 Cb -0.06 2.71 0.01 0.00 -0.56 0.00 0.00 46.19 48.29 1b8q s LEU 89 CO 0.15 -1.32 -0.11 -0.63 -1.06 0.00 0.00 176.35 173.37 1b8q s ILE 90 N -3.89 1.06 0.26 1.48 -1.09 -0.90 0.12 121.20 118.24 1b8q s ILE 90 Ca 0.11 -0.45 0.07 0.00 -2.23 0.00 0.00 60.65 58.15 1b8q s ILE 90 Cb -0.06 -0.97 -0.03 0.00 -1.58 0.00 0.00 42.46 39.82 1b8q s ILE 90 CO 0.06 0.34 0.25 -0.76 -1.23 0.00 0.00 174.94 173.60 1b8q s LEU 91 N 0.61 3.90 0.32 2.97 1.43 0.13 -2.49 118.68 125.54 1b8q s LEU 91 Ca -0.13 -0.21 -0.19 0.00 -1.03 0.00 0.00 54.13 52.57 1b8q s LEU 91 Cb -0.15 -2.45 0.05 0.00 0.03 0.00 0.00 46.19 43.67 1b8q s LEU 91 CO 0.03 -0.10 0.81 0.00 0.23 0.00 0.00 176.35 177.32 1b8q s ARG 92 N -3.90 1.94 0.00 1.70 1.04 -1.25 -1.91 118.95 116.56 1b8q s ARG 92 Ca 0.35 -1.19 0.00 0.00 -1.04 0.00 0.00 55.73 53.84 1b8q s ARG 92 Cb -0.08 0.58 0.00 0.00 -2.04 0.00 0.00 34.95 33.41 1b8q s ARG 92 CO 0.26 -0.90 0.00 0.41 -0.04 0.00 0.00 175.30 175.03 1b8q n GLY 93 N -0.52 -0.56 0.00 3.88 0.00 0.34 -4.75 105.19 103.58 1b8q n GLY 93 Ca -0.06 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 1.63 -3.52 1.61 -0.02 -1.25 -4.94 135.00 128.50 1b8q n PRO 94 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 1b8q n PRO 94 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 1b8q n PRO 94 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1b8q s GLU 95 N 0.00 0.84 0.00 -0.52 -1.05 -1.26 -4.71 118.70 112.00 1b8q s GLU 95 Ca 0.00 -0.12 0.00 0.00 -0.15 0.00 0.00 54.97 54.70 1b8q s GLU 95 Cb 0.00 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 1b8q s GLU 95 CO 0.00 -0.33 0.00 0.41 0.95 0.00 0.00 175.26 176.29 1b8q n GLY 96 N 0.17 0.45 2.96 -3.83 0.00 -1.26 -4.93 105.19 98.75 1b8q n GLY 96 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 1.25 -0.30 1.61 0.40 -1.26 0.86 117.98 118.54 1b8q s PHE 97 Ca 0.00 -0.48 -0.29 0.00 -0.60 0.00 0.00 56.93 55.56 1b8q s PHE 97 Cb 0.00 -0.99 0.01 0.00 0.51 0.00 0.00 43.02 42.55 1b8q s PHE 97 CO 0.00 -0.31 1.05 0.95 0.70 0.00 0.00 175.22 177.61 1b8q s THR 98 N 0.99 4.56 -0.62 0.64 -4.23 0.29 -4.53 115.64 112.74 1b8q s THR 98 Ca -0.09 1.77 -0.04 0.00 -1.18 0.00 0.00 61.69 62.15 1b8q s THR 98 Cb -0.15 -4.38 0.16 0.00 1.34 0.00 0.00 72.50 69.48 1b8q s THR 98 CO 0.00 -0.40 0.44 0.28 -0.54 0.00 0.00 174.62 174.40 1b8q s THR 99 N 3.51 3.85 0.00 3.99 -1.32 -1.24 -0.28 115.64 124.15 1b8q s THR 99 Ca 0.44 -2.79 0.00 0.00 -1.21 0.00 0.00 61.69 58.14 1b8q s THR 99 Cb -0.13 -3.51 0.00 0.00 -1.51 0.00 0.00 72.50 67.35 1b8q s THR 99 CO 0.13 -0.87 0.00 1.41 -2.21 0.00 0.00 174.62 173.08 1b8q n HIS 100 N 3.69 -2.35 -3.54 9.09 8.25 -0.83 -4.69 115.22 124.83 1b8q n HIS 100 Ca 0.07 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.24 1b8q n HIS 100 Cb 0.39 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.37 1b8q n HIS 100 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1b8q s LEU 101 N 0.00 1.35 0.00 2.41 2.34 -1.26 -3.33 118.68 120.19 1b8q s LEU 101 Ca 0.00 -2.11 0.06 0.00 0.06 0.00 0.00 54.13 52.14 1b8q s LEU 101 Cb 0.00 -0.55 0.10 0.00 -0.56 0.00 0.00 46.19 45.18 1b8q s LEU 101 CO 0.00 -0.33 0.97 1.21 -1.06 0.00 0.00 176.35 177.14 1b8q n GLU 102 N 4.17 0.00 -2.86 1.48 2.13 -1.25 -4.96 120.64 119.35 1b8q n GLU 102 Ca 0.08 -1.09 -0.01 0.00 0.66 0.00 0.00 57.16 56.80 1b8q n GLU 102 Cb 0.37 -0.24 -0.01 0.00 0.27 0.00 0.00 31.44 31.83 1b8q n GLU 102 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1b8q n THR 103 N 0.12 -8.63 -0.56 6.31 -1.04 -1.19 -4.97 114.28 104.31 1b8q n THR 103 Ca -0.00 1.49 0.01 0.00 -2.04 0.00 0.00 64.05 63.51 1b8q n THR 103 Cb 0.78 -5.48 0.01 0.00 -1.82 0.00 0.00 70.33 63.82 1b8q n THR 103 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1b8q n THR 104 N 1.15 0.70 -0.63 12.58 -1.04 -1.04 -5.02 114.28 120.98 1b8q n THR 104 Ca -0.06 -0.74 -0.31 0.00 -2.04 0.00 0.00 64.05 60.89 1b8q n THR 104 Cb 0.23 0.58 0.19 0.00 -1.82 0.00 0.00 70.33 69.52 1b8q n THR 104 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1b8q n PHE 105 N -0.40 -1.19 -0.06 -1.42 1.16 -1.26 -4.99 117.46 109.30 1b8q n PHE 105 Ca 0.02 0.09 -0.03 0.00 -1.87 0.00 0.00 57.45 55.65 1b8q n PHE 105 Cb 0.40 -1.68 -0.02 0.00 -1.61 0.00 0.00 39.48 36.57 1b8q n PHE 105 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1b8q h THR 106 N -2.16 0.18 0.00 1.97 2.02 -1.98 -3.50 112.91 109.44 1b8q h THR 106 Ca -0.54 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 65.50 1b8q h THR 106 Cb 1.33 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1b8q h THR 106 CO 0.41 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.97 1b8q n GLY 107 N 1.71 0.11 2.32 2.16 0.00 -1.26 -4.99 105.19 105.25 1b8q n GLY 107 Ca -0.04 0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1b8q n GLY 107 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b8q n ASP 108 N 0.00 4.74 0.03 1.61 8.00 -1.26 -4.63 116.55 125.03 1b8q n ASP 108 Ca 0.00 -3.71 0.00 0.00 0.71 0.00 0.00 54.79 51.79 1b8q n ASP 108 Cb 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1b8q n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b8q n GLY 109 N -0.56 -1.01 2.60 0.44 0.00 -1.26 -5.00 105.19 100.41 1b8q n GLY 109 Ca 0.40 0.21 -0.28 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.64 2.66 -2.22 2.61 5.66 -1.26 -4.53 114.28 114.56 1b8q n THR 110 Ca 0.00 -5.03 -0.40 0.00 -3.05 0.00 0.00 64.05 55.56 1b8q n THR 110 Cb 0.00 -1.30 -0.03 0.00 -1.55 0.00 0.00 70.33 67.45 1b8q n THR 110 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1b8q s PRO 111 N -3.58 3.00 0.11 1.09 0.04 -1.26 -4.51 135.00 129.89 1b8q s PRO 111 Ca 0.48 0.53 -0.01 0.00 0.04 0.00 0.00 61.00 62.05 1b8q s PRO 111 Cb 0.38 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.67 1b8q s PRO 111 CO -0.20 -2.29 0.15 0.36 0.04 0.00 0.00 177.00 175.06 1b8q n LYS 112 N 8.95 0.22 -0.05 4.56 0.00 -1.26 -4.89 118.16 125.69 1b8q n LYS 112 Ca 0.16 -0.82 -0.16 0.00 -0.00 0.00 0.00 58.31 57.48 1b8q n LYS 112 Cb 0.50 0.80 -0.14 0.00 -0.00 0.00 0.00 35.03 36.20 1b8q n LYS 112 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1b8q n THR 113 N -0.17 1.62 -3.48 0.58 -1.04 -1.07 -4.72 114.28 106.01 1b8q n THR 113 Ca 0.00 -0.69 -0.43 0.00 -2.04 0.00 0.00 64.05 60.89 1b8q n THR 113 Cb 0.17 -1.34 -0.06 0.00 -1.82 0.00 0.00 70.33 67.28 1b8q n THR 113 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1b8q s ILE 114 N -2.55 4.69 -0.34 12.58 -1.16 -1.26 -3.19 121.20 129.97 1b8q s ILE 114 Ca -0.20 -2.20 0.03 0.00 -0.51 0.00 0.00 60.65 57.77 1b8q s ILE 114 Cb 0.07 -4.00 0.16 0.00 0.61 0.00 0.00 42.46 39.30 1b8q s ILE 114 CO 0.75 -0.89 0.43 -0.60 -2.81 0.00 0.00 174.94 171.81 1b8q s ARG 115 N 0.73 0.56 -0.42 3.50 3.00 -1.22 -4.70 118.95 120.41 1b8q s ARG 115 Ca 0.11 -0.33 0.08 0.00 -1.00 0.00 0.00 55.73 54.59 1b8q s ARG 115 Cb -0.21 -0.42 0.37 0.00 0.00 0.00 0.00 34.95 34.69 1b8q s ARG 115 CO -0.03 -1.12 1.26 0.28 0.00 0.00 0.00 175.30 175.68 1b8q n VAL 116 N 4.77 0.02 -2.60 7.11 0.31 -1.21 -2.50 118.33 124.23 1b8q n VAL 116 Ca 0.06 -1.58 -0.42 0.00 -0.01 0.00 0.00 64.34 62.39 1b8q n VAL 116 Cb 0.49 1.14 -0.03 0.00 -0.91 0.00 0.00 33.84 34.53 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 0.10 4.55 -0.08 2.52 2.01 -1.22 -1.97 115.64 121.55 1b8q s THR 117 Ca 0.22 1.83 -0.05 0.00 0.31 0.00 0.00 61.69 64.00 1b8q s THR 117 Cb 0.36 -4.17 0.04 0.00 0.01 0.00 0.00 72.50 68.74 1b8q s THR 117 CO -0.07 0.13 0.19 0.00 -0.69 0.00 0.00 174.62 174.18 1b8q s GLN 118 N 1.15 0.17 0.04 4.92 -2.07 0.61 -4.87 119.66 119.61 1b8q s GLN 118 Ca 0.54 0.39 -0.34 0.00 -1.82 0.00 0.00 55.36 54.14 1b8q s GLN 118 Cb -0.24 -0.07 -0.13 0.00 -1.09 0.00 0.00 33.01 31.48 1b8q s GLN 118 CO 0.27 -0.12 1.74 -0.35 -1.32 0.00 0.00 175.29 175.51 1b8q n PRO 119 N 3.84 2.19 0.00 9.60 -0.04 -1.26 0.10 135.00 149.44 1b8q n PRO 119 Ca -0.22 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 1b8q n PRO 119 Cb 0.54 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 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 5.08 0.93 0.00 1.53 -0.00 0.25 -4.83 117.00 119.97 1b8q n LEU 120 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.21 1b8q n LEU 120 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 1b8q n LEU 120 CO 0.68 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.68 1b8q n GLY 121 N 2.52 2.12 3.71 1.47 0.00 -1.26 -5.05 105.19 108.70 1b8q n GLY 121 Ca 0.00 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1b8q n GLY 121 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1b8q s PRO 122 N 0.00 1.86 0.00 1.61 0.02 -1.26 -5.01 135.00 132.21 1b8q s PRO 122 Ca 0.00 1.83 0.00 0.00 0.02 0.00 0.00 61.00 62.85 1b8q s PRO 122 Cb 0.00 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.73 1b8q s PRO 122 CO 0.00 -2.06 0.00 -2.30 -0.33 0.00 0.00 177.00 172.31 1b8q n PRO 123 N -2.97 -1.54 -2.30 5.54 -0.02 -1.26 -4.79 135.00 127.66 1b8q n PRO 123 Ca 0.14 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.27 1b8q n PRO 123 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.94 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 -0.85 3.65 -0.67 3.45 -1.32 -1.26 -4.82 115.64 113.82 1b8q s THR 124 Ca 0.00 -0.38 -0.02 0.00 -1.21 0.00 0.00 61.69 60.08 1b8q s THR 124 Cb 0.00 -4.50 0.44 0.00 -1.51 0.00 0.00 72.50 66.93 1b8q s THR 124 CO 0.00 -1.42 2.04 1.17 -2.21 0.00 0.00 174.62 174.20 1b8q n LYS 125 N 8.96 2.67 -0.28 7.08 4.81 -1.26 -4.51 118.16 135.63 1b8q n LYS 125 Ca 0.31 -3.25 0.05 0.00 -0.87 0.00 0.00 58.31 54.55 1b8q n LYS 125 Cb 0.49 -2.27 0.17 0.00 0.02 0.00 0.00 35.03 33.45 1b8q n LYS 125 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1b8q n ALA 126 N -0.86 2.71 -0.33 3.14 0.00 -1.26 -5.26 120.51 118.64 1b8q n ALA 126 Ca 0.62 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1b8q n ALA 126 Cb 0.63 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1b8q n ALA 126 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83