#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 2.98 0.26 1.61 1.04 -1.26 -4.89 113.70 113.44 1b8q s SER 2 Ca 0.00 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1b8q s SER 2 Cb 0.00 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1b8q s SER 2 CO 0.00 -2.83 0.00 1.41 0.98 0.00 0.00 173.24 172.80 1b8q n HIS 3 N -3.87 -4.41 -1.22 5.02 -0.00 -1.26 -4.79 115.22 104.69 1b8q n HIS 3 Ca 0.13 2.49 -0.30 0.00 -0.00 0.00 0.00 57.72 60.04 1b8q n HIS 3 Cb 0.60 -3.50 0.07 0.00 -0.00 0.00 0.00 29.99 27.16 1b8q n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1b8q n MET 4 N 1.12 2.46 -3.53 -0.41 2.00 -1.26 -4.91 117.12 112.59 1b8q n MET 4 Ca 0.00 -2.87 -0.08 0.00 0.00 0.00 0.00 57.70 54.75 1b8q n MET 4 Cb 0.00 -2.12 -0.02 0.00 0.00 0.00 0.00 33.22 31.07 1b8q n MET 4 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1b8q s ILE 5 N -4.18 0.00 0.40 2.02 1.10 -1.21 -4.38 121.20 114.96 1b8q s ILE 5 Ca 0.57 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.74 1b8q s ILE 5 Cb 0.44 -1.00 -0.03 0.00 0.15 0.00 0.00 42.46 42.03 1b8q s ILE 5 CO -0.01 0.00 0.12 -1.61 -2.11 0.00 0.00 174.94 171.34 1b8q s GLU 6 N -2.72 1.91 0.00 3.50 2.02 -1.26 -5.08 118.70 117.07 1b8q s GLU 6 Ca 0.05 -2.16 0.00 0.00 0.02 0.00 0.00 54.97 52.88 1b8q s GLU 6 Cb -0.01 -0.62 0.00 0.00 0.10 0.00 0.00 34.13 33.60 1b8q s GLU 6 CO -0.07 -0.46 0.00 -2.30 0.02 0.00 0.00 175.26 172.45 1b8q n PRO 7 N -0.89 2.19 -1.67 0.39 -0.02 -1.26 -4.93 135.00 128.80 1b8q n PRO 7 Ca -0.06 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1b8q n PRO 7 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.13 1b8q n PRO 7 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1b8q n ASN 8 N 0.00 -2.82 -4.79 2.55 3.02 -1.26 -4.67 115.26 107.29 1b8q n ASN 8 Ca 0.00 0.15 -0.24 0.00 -0.03 0.00 0.00 54.58 54.46 1b8q n ASN 8 Cb 0.00 -1.60 -0.05 0.00 -0.61 0.00 0.00 39.78 37.52 1b8q n ASN 8 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1b8q s VAL 9 N -0.61 4.34 0.19 2.41 1.01 0.29 0.12 120.40 128.14 1b8q s VAL 9 Ca 0.01 -1.31 -0.20 0.00 0.00 0.00 0.00 61.98 60.49 1b8q s VAL 9 Cb -0.00 -3.28 0.04 0.00 0.00 0.00 0.00 36.38 33.14 1b8q s VAL 9 CO 0.11 -0.24 0.56 -0.51 0.00 0.00 0.00 175.10 175.02 1b8q s ILE 10 N -1.96 0.02 0.26 2.22 1.10 0.41 -3.84 121.20 119.41 1b8q s ILE 10 Ca 0.32 -0.53 -0.09 0.00 -0.51 0.00 0.00 60.65 59.84 1b8q s ILE 10 Cb -0.09 -1.39 -0.07 0.00 0.15 0.00 0.00 42.46 41.06 1b8q s ILE 10 CO 0.23 -0.09 0.58 -0.44 -2.11 0.00 0.00 174.94 173.11 1b8q s SER 11 N -2.83 6.58 0.07 4.50 0.01 -1.26 -0.91 113.70 119.87 1b8q s SER 11 Ca 0.06 0.91 -0.00 0.00 1.31 0.00 0.00 55.95 58.23 1b8q s SER 11 Cb -0.01 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 1b8q s SER 11 CO -0.06 -0.13 -0.03 -0.69 0.41 0.00 0.00 173.24 172.74 1b8q s VAL 12 N -1.93 0.34 0.00 3.43 1.01 0.33 -4.77 120.40 118.82 1b8q s VAL 12 Ca 0.47 -1.85 0.01 0.00 0.00 0.00 0.00 61.98 60.60 1b8q s VAL 12 Cb -0.11 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 1b8q s VAL 12 CO 0.24 -0.91 -0.02 -0.60 0.00 0.00 0.00 175.10 173.80 1b8q s ARG 13 N -3.91 0.20 0.29 2.72 3.52 -1.26 0.12 118.95 120.64 1b8q s ARG 13 Ca 0.10 -0.13 0.02 0.00 -0.13 0.00 0.00 55.73 55.59 1b8q s ARG 13 Cb 0.07 -0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.27 1b8q s ARG 13 CO -0.07 0.04 0.29 -0.51 -0.81 0.00 0.00 175.30 174.24 1b8q s LEU 14 N -0.17 1.38 0.05 -0.88 1.02 0.78 -4.95 118.68 115.90 1b8q s LEU 14 Ca -0.00 -1.57 0.06 0.00 0.02 0.00 0.00 54.13 52.64 1b8q s LEU 14 Cb -0.02 0.75 -0.03 0.00 0.02 0.00 0.00 46.19 46.92 1b8q s LEU 14 CO -0.00 -1.06 -0.17 0.12 0.02 0.00 0.00 176.35 175.26 1b8q s PHE 15 N -3.58 1.50 -0.02 0.29 2.19 -1.26 0.16 117.98 117.25 1b8q s PHE 15 Ca 0.37 -0.38 0.00 0.00 0.33 0.00 0.00 56.93 57.26 1b8q s PHE 15 Cb 0.03 -0.87 0.02 0.00 -1.31 0.00 0.00 43.02 40.89 1b8q s PHE 15 CO 0.21 0.08 1.66 1.63 1.83 0.00 0.00 175.22 180.64 1b8q n LYS 16 N 1.71 1.06 -2.73 10.12 5.02 -1.08 -3.55 118.16 128.71 1b8q n LYS 16 Ca -0.18 -0.13 -0.13 0.00 -2.02 0.00 0.00 58.31 55.85 1b8q n LYS 16 Cb 0.54 -1.05 -0.02 0.00 -0.02 0.00 0.00 35.03 34.47 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 1.06 -1.81 -1.77 1.97 5.12 -1.25 0.12 116.66 120.11 1b8q n ARG 17 Ca 0.03 0.04 -0.03 0.00 -1.93 0.00 0.00 57.85 55.95 1b8q n ARG 17 Cb 0.52 -3.47 -0.01 0.00 -1.16 0.00 0.00 32.46 28.35 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 -2.41 -1.90 -1.07 5.56 0.00 -1.26 -4.44 118.16 112.64 1b8q n LYS 18 Ca 0.04 0.18 -0.05 0.00 -0.00 0.00 0.00 58.31 58.48 1b8q n LYS 18 Cb 0.36 -4.47 -0.03 0.00 -0.00 0.00 0.00 35.03 30.89 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 -1.96 0.00 -3.38 0.58 0.24 0.10 -4.47 118.33 109.45 1b8q n VAL 19 Ca -0.04 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 1b8q n VAL 19 Cb 0.31 0.44 0.01 0.00 -1.47 0.00 0.00 33.84 33.13 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 -0.15 -1.24 2.62 7.63 0.00 0.34 -4.99 105.19 109.39 1b8q n GLY 20 Ca -0.20 0.52 -0.12 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 -1.70 0.74 0.38 -0.02 0.00 -0.92 -4.93 105.19 98.73 1b8q n GLY 21 Ca -0.12 -0.27 0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 3.93 0.00 0.00 0.99 4.07 -1.82 -3.32 115.31 119.16 1b8q h LEU 22 Ca -0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1b8q h LEU 22 Cb 1.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.74 1b8q h LEU 22 CO 0.35 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.32 1b8q n GLY 23 N -1.41 0.94 3.58 0.83 0.00 -1.26 -1.28 105.19 106.58 1b8q n GLY 23 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.76 0.82 1.61 -0.71 -1.26 -0.80 117.98 114.88 1b8q s PHE 24 Ca 0.00 1.81 -0.12 0.00 -1.04 0.00 0.00 56.93 57.58 1b8q s PHE 24 Cb 0.00 0.28 0.08 0.00 -1.21 0.00 0.00 43.02 42.18 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 0.47 2.45 0.07 -1.99 1.43 0.94 -4.80 118.68 117.25 1b8q s LEU 25 Ca -0.01 0.84 -0.16 0.00 -1.03 0.00 0.00 54.13 53.77 1b8q s LEU 25 Cb -0.05 -3.32 0.03 0.00 0.03 0.00 0.00 46.19 42.88 1b8q s LEU 25 CO -0.01 -1.97 0.38 0.68 0.23 0.00 0.00 176.35 175.66 1b8q s VAL 26 N -3.52 0.07 -0.21 -1.59 -7.23 -1.26 -2.07 120.40 104.59 1b8q s VAL 26 Ca 0.62 -0.58 -0.04 0.00 -1.81 0.00 0.00 61.98 60.17 1b8q s VAL 26 Cb -0.12 -1.05 0.07 0.00 0.56 0.00 0.00 36.38 35.85 1b8q s VAL 26 CO 0.50 -0.32 0.09 -1.59 -0.31 0.00 0.00 175.10 173.47 1b8q s LYS 27 N -3.04 0.27 -0.39 4.82 -2.85 0.22 -4.83 119.74 113.95 1b8q s LYS 27 Ca -0.02 -0.33 -0.14 0.00 -1.00 0.00 0.00 55.97 54.49 1b8q s LYS 27 Cb 0.01 -1.76 0.01 0.00 -2.06 0.00 0.00 37.83 34.03 1b8q s LYS 27 CO -0.06 -0.76 0.26 -2.00 0.10 0.00 0.00 175.35 172.88 1b8q s GLU 28 N 2.03 3.06 -0.04 1.78 -6.30 -1.26 -1.90 118.70 116.06 1b8q s GLU 28 Ca 0.03 -0.95 -0.30 0.00 -2.50 0.00 0.00 54.97 51.26 1b8q s GLU 28 Cb -0.16 -3.88 -0.06 0.00 0.00 0.00 0.00 34.13 30.02 1b8q s GLU 28 CO -0.16 -0.67 1.79 1.03 0.02 0.00 0.00 175.26 177.27 1b8q s ARG 29 N 1.66 4.08 0.54 4.30 1.81 -1.26 -4.77 118.95 125.31 1b8q s ARG 29 Ca 0.05 2.29 0.27 0.00 -1.72 0.00 0.00 55.73 56.61 1b8q s ARG 29 Cb -0.19 -4.07 1.45 0.00 -0.45 0.00 0.00 34.95 31.69 1b8q s ARG 29 CO 0.09 -0.99 1.79 0.28 -0.68 0.00 0.00 175.30 175.80 1b8q h VAL 30 N 5.72 0.00 -0.21 3.52 2.07 -1.93 -3.05 116.25 122.38 1b8q h VAL 30 Ca -0.43 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 66.86 1b8q h VAL 30 Cb 1.20 0.59 -0.22 0.00 -1.52 0.00 0.00 31.29 31.35 1b8q h VAL 30 CO 0.95 0.00 -0.55 -1.20 0.02 0.00 0.00 177.57 176.80 1b8q n SER 31 N -2.63 -0.89 -2.21 0.57 7.64 -1.26 -4.97 113.62 109.87 1b8q n SER 31 Ca -0.02 -2.40 -0.08 0.00 1.01 0.00 0.00 58.87 57.39 1b8q n SER 31 Cb 0.28 0.53 -0.00 0.00 -1.01 0.00 0.00 64.21 64.01 1b8q n SER 31 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1b8q n LYS 32 N -0.76 0.56 -0.86 1.43 5.02 -1.15 -5.17 118.16 117.22 1b8q n LYS 32 Ca -0.04 -1.62 -0.33 0.00 -2.02 0.00 0.00 58.31 54.30 1b8q n LYS 32 Cb 0.85 1.73 0.08 0.00 -0.02 0.00 0.00 35.03 37.66 1b8q n LYS 32 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1b8q n PRO 33 N -0.35 -0.59 -0.66 1.97 -0.02 -1.26 -4.70 135.00 129.39 1b8q n PRO 33 Ca -0.02 -0.17 -0.17 0.00 -2.02 0.00 0.00 63.50 61.12 1b8q n PRO 33 Cb 0.37 -1.22 0.10 0.00 -0.02 0.00 0.00 33.50 32.73 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 0.94 -1.33 -2.21 0.52 -0.02 -1.22 -4.28 135.00 127.40 1b8q n PRO 34 Ca -0.01 -0.39 -0.32 0.00 -2.02 0.00 0.00 63.50 60.76 1b8q n PRO 34 Cb 0.65 -1.31 -0.01 0.00 -0.02 0.00 0.00 33.50 32.81 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 -2.06 4.26 0.19 -1.45 0.11 -0.37 -4.49 120.40 116.59 1b8q s VAL 35 Ca 0.29 1.05 -0.01 0.00 -2.93 0.00 0.00 61.98 60.38 1b8q s VAL 35 Cb -0.03 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.19 1b8q s VAL 35 CO 0.32 -0.66 0.10 -0.51 -3.33 0.00 0.00 175.10 171.03 1b8q s ILE 36 N -2.61 0.12 0.21 7.04 1.10 -0.80 -4.23 121.20 122.02 1b8q s ILE 36 Ca 0.60 -1.98 -0.06 0.00 -0.51 0.00 0.00 60.65 58.70 1b8q s ILE 36 Cb -0.12 -2.39 -0.06 0.00 0.15 0.00 0.00 42.46 40.03 1b8q s ILE 36 CO 0.36 -0.13 0.48 -0.63 -2.11 0.00 0.00 174.94 172.90 1b8q s ILE 37 N -4.06 5.05 -0.05 2.00 1.01 -1.26 0.70 121.20 124.59 1b8q s ILE 37 Ca 0.35 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.19 1b8q s ILE 37 Cb 0.07 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 1b8q s ILE 37 CO 0.09 -0.08 -0.05 -0.24 0.00 0.00 0.00 174.94 174.67 1b8q n SER 38 N -0.22 3.40 -3.64 3.58 2.88 -0.88 -1.35 113.62 117.39 1b8q n SER 38 Ca -0.01 -0.02 -0.05 0.00 -1.33 0.00 0.00 58.87 57.45 1b8q n SER 38 Cb 0.52 -0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 63.83 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 -4.56 -0.57 -1.04 -3.46 -1.08 -1.26 -4.44 116.67 100.25 1b8q s ASP 39 Ca -0.07 0.97 -0.23 0.00 -0.52 0.00 0.00 52.55 52.69 1b8q s ASP 39 Cb 0.02 1.16 -0.12 0.00 -1.46 0.00 0.00 42.92 42.51 1b8q s ASP 39 CO 0.12 -0.16 1.93 0.18 0.52 0.00 0.00 175.17 177.76 1b8q n LEU 40 N 3.38 3.15 -0.28 -1.34 4.77 -1.26 -0.04 117.00 125.38 1b8q n LEU 40 Ca -0.17 -3.02 -0.06 0.00 -0.03 0.00 0.00 56.01 52.73 1b8q n LEU 40 Cb 0.57 -1.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.06 1b8q n LEU 40 CO 0.02 -1.59 0.33 0.00 -1.33 0.00 0.00 177.39 174.81 1b8q n ILE 41 N 7.42 -0.44 -0.03 -0.08 0.13 0.02 -3.68 119.36 122.71 1b8q n ILE 41 Ca 0.46 1.60 -0.03 0.00 -1.10 0.00 0.00 62.75 63.68 1b8q n ILE 41 Cb 0.45 -2.00 -0.01 0.00 -0.84 0.00 0.00 39.64 37.25 1b8q n ILE 41 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1b8q n ARG 42 N -4.85 0.20 0.00 9.51 1.74 -1.20 -4.97 116.66 117.08 1b8q n ARG 42 Ca 0.02 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 1b8q n ARG 42 Cb 0.19 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 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 1.61 1.20 0.01 -0.13 0.00 -1.24 -4.98 105.19 101.65 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 -1.42 -0.10 0.00 -0.02 0.00 -1.26 -3.86 105.19 98.53 1b8q n GLY 44 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.87 0.00 0.46 4.61 0.00 -1.26 -4.16 120.51 118.29 1b8q n ALA 45 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 1b8q n ALA 45 Cb 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 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 -1.22 -0.82 0.00 0.00 -1.48 -1.97 119.26 111.77 1b8q h ALA 46 Ca 0.00 -0.26 0.19 0.00 0.00 0.00 0.00 54.91 54.84 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 -1.13 0.27 1.49 0.00 0.00 0.00 179.25 179.88 1b8q h GLU 47 N -1.29 0.31 -0.49 0.00 4.57 -1.82 0.89 114.58 116.76 1b8q h GLU 47 Ca -0.12 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1b8q h GLU 47 Cb 0.91 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.40 1b8q h GLU 47 CO 0.20 0.21 0.33 0.37 -1.18 0.00 0.00 179.01 178.94 1b8q h GLN 48 N 0.32 0.51 -0.27 1.92 5.75 -1.64 -0.92 115.11 120.77 1b8q h GLN 48 Ca 0.49 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 59.01 1b8q h GLN 48 Cb 0.88 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 29.27 1b8q h GLN 48 CO -0.53 0.34 -0.04 1.03 -2.65 0.00 0.00 178.83 176.97 1b8q h SER 49 N 0.52 -0.20 0.00 -0.69 0.87 0.16 -3.47 113.55 110.75 1b8q h SER 49 Ca 0.20 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1b8q h SER 49 Cb 0.16 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1b8q h SER 49 CO -0.05 -0.06 0.00 0.61 -0.53 0.00 0.00 176.83 176.79 1b8q n GLY 50 N -1.23 2.07 0.11 5.77 0.00 -0.35 -4.92 105.19 106.63 1b8q n GLY 50 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 0.80 -4.63 0.99 -0.00 -1.26 -4.82 117.00 108.07 1b8q n LEU 51 Ca 0.00 -0.01 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 1b8q n LEU 51 Cb 0.00 0.12 -0.02 0.00 -0.00 0.00 0.00 43.42 43.52 1b8q n LEU 51 CO 0.00 0.60 1.26 -0.63 -0.00 0.00 0.00 177.39 178.62 1b8q s ILE 52 N -2.50 3.90 0.02 1.47 1.09 -1.26 -4.22 121.20 119.70 1b8q s ILE 52 Ca -0.16 1.02 0.00 0.00 -1.10 0.00 0.00 60.65 60.42 1b8q s ILE 52 Cb 0.07 -3.87 -0.02 0.00 -1.06 0.00 0.00 42.46 37.58 1b8q s ILE 52 CO 0.77 -0.32 -0.03 -1.58 -0.10 0.00 0.00 174.94 173.68 1b8q s GLN 53 N 4.34 0.31 0.39 2.79 0.74 -1.26 -3.90 119.66 123.07 1b8q s GLN 53 Ca 0.65 -0.56 -0.24 0.00 0.05 0.00 0.00 55.36 55.26 1b8q s GLN 53 Cb -0.22 0.04 -0.09 0.00 1.10 0.00 0.00 33.01 33.83 1b8q s GLN 53 CO 0.26 -0.03 1.04 0.00 -0.55 0.00 0.00 175.29 176.01 1b8q s ALA 54 N -1.27 3.10 -1.26 1.58 0.00 -1.26 -3.09 121.76 119.56 1b8q s ALA 54 Ca -0.13 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1b8q s ALA 54 Cb -0.09 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1b8q s ALA 54 CO -0.01 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1b8q n GLY 55 N 0.36 1.26 0.00 0.00 0.00 -0.46 -4.88 105.19 101.47 1b8q n GLY 55 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.33 0.00 -3.64 1.61 9.92 -1.18 -4.97 116.55 117.96 1b8q n ASP 56 Ca -0.12 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.07 1b8q n ASP 56 Cb 0.44 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.85 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 0.00 -0.33 0.53 2.07 -1.26 -4.77 121.20 117.44 1b8q s ILE 57 Ca 0.00 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.29 1b8q s ILE 57 Cb 0.00 -1.00 0.17 0.00 0.13 0.00 0.00 42.46 41.76 1b8q s ILE 57 CO 0.00 0.00 0.50 -0.51 -1.91 0.00 0.00 174.94 173.02 1b8q s ILE 58 N 1.12 -0.76 -0.01 2.00 1.10 -1.26 -4.77 121.20 118.61 1b8q s ILE 58 Ca -0.06 -0.26 -0.00 0.00 -0.51 0.00 0.00 60.65 59.81 1b8q s ILE 58 Cb -0.05 -0.71 -0.00 0.00 0.15 0.00 0.00 42.46 41.86 1b8q s ILE 58 CO -0.13 -0.20 0.04 -0.07 -2.11 0.00 0.00 174.94 172.48 1b8q h LEU 59 N 7.67 -0.01 -9.39 8.50 3.38 -1.68 -3.33 115.31 120.45 1b8q h LEU 59 Ca -0.01 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.37 1b8q h LEU 59 Cb 1.14 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.78 1b8q h LEU 59 CO 0.19 0.06 -0.70 0.00 0.09 0.00 0.00 178.44 178.07 1b8q s ALA 60 N -2.96 2.97 -0.07 1.53 0.00 -1.07 -3.68 121.76 118.48 1b8q s ALA 60 Ca -0.00 -1.77 -0.21 0.00 0.00 0.00 0.00 51.96 49.98 1b8q s ALA 60 Cb 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.65 1b8q s ALA 60 CO 0.00 0.27 0.48 0.08 0.00 0.00 0.00 175.76 176.59 1b8q s VAL 61 N -2.42 0.02 -1.68 0.00 1.01 -1.18 -1.60 120.40 114.56 1b8q s VAL 61 Ca 0.31 -0.20 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 1b8q s VAL 61 Cb -0.06 -0.76 0.12 0.00 0.00 0.00 0.00 36.38 35.69 1b8q s VAL 61 CO 0.18 -0.11 0.46 -0.46 0.00 0.00 0.00 175.10 175.17 1b8q n ASN 62 N 1.57 -1.25 -2.37 3.32 0.23 0.36 0.12 115.26 117.24 1b8q n ASN 62 Ca -0.19 -1.16 -0.17 0.00 -0.53 0.00 0.00 54.58 52.53 1b8q n ASN 62 Cb 0.56 -2.11 -0.01 0.00 -2.08 0.00 0.00 39.78 36.14 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 -2.70 -5.02 -4.05 0.53 2.03 -1.25 -4.89 116.55 101.20 1b8q n ASP 63 Ca -0.07 0.09 -0.33 0.00 0.52 0.00 0.00 54.79 55.00 1b8q n ASP 63 Cb 0.56 -4.23 -0.14 0.00 -0.72 0.00 0.00 41.12 36.60 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 -4.95 1.74 -0.87 -0.67 1.81 0.32 -5.04 118.95 111.29 1b8q s ARG 64 Ca 0.00 -1.97 -0.23 0.00 -1.72 0.00 0.00 55.73 51.81 1b8q s ARG 64 Cb 0.00 -3.36 -0.19 0.00 -0.45 0.00 0.00 34.95 30.95 1b8q s ARG 64 CO 0.00 -1.01 2.18 -2.30 -0.68 0.00 0.00 175.30 173.49 1b8q n PRO 65 N 4.21 0.29 -1.80 3.54 -0.02 -1.26 -3.09 135.00 136.86 1b8q n PRO 65 Ca 0.02 -1.08 -0.40 0.00 -2.02 0.00 0.00 63.50 60.02 1b8q n PRO 65 Cb 0.41 -3.42 -0.01 0.00 -0.02 0.00 0.00 33.50 30.46 1b8q n PRO 65 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1b8q n LEU 66 N 17.35 8.08 -0.04 2.45 4.77 -1.24 -4.07 117.00 144.30 1b8q n LEU 66 Ca 0.43 -4.67 -0.08 0.00 -0.03 0.00 0.00 56.01 51.66 1b8q n LEU 66 Cb 0.43 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.04 1b8q n LEU 66 CO 0.60 1.95 -0.79 1.33 -1.33 0.00 0.00 177.39 179.15 1b8q n VAL 67 N 2.63 0.47 -2.13 4.08 0.24 -1.26 -1.24 118.33 121.12 1b8q n VAL 67 Ca 0.65 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.82 1b8q n VAL 67 Cb 0.26 -1.43 -0.00 0.00 -1.47 0.00 0.00 33.84 31.20 1b8q n VAL 67 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1b8q n ASP 68 N -3.24 0.16 -4.95 -1.34 8.00 -1.26 -3.41 116.55 110.51 1b8q n ASP 68 Ca -0.16 -1.82 -0.20 0.00 0.71 0.00 0.00 54.79 53.32 1b8q n ASP 68 Cb 0.63 -0.13 0.05 0.00 -0.02 0.00 0.00 41.12 41.64 1b8q n ASP 68 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1b8q s LEU 69 N 0.00 3.30 -0.55 0.64 0.05 -1.26 -4.99 118.68 115.87 1b8q s LEU 69 Ca 0.09 -0.40 -0.26 0.00 0.05 0.00 0.00 54.13 53.61 1b8q s LEU 69 Cb 0.10 -2.35 -0.05 0.00 -2.05 0.00 0.00 46.19 41.84 1b8q s LEU 69 CO -0.05 -1.20 2.18 -0.44 -0.55 0.00 0.00 176.35 176.30 1b8q s SER 70 N -4.51 4.77 0.16 1.48 0.01 -1.26 -4.85 113.70 109.50 1b8q s SER 70 Ca 0.59 0.73 -0.29 0.00 1.31 0.00 0.00 55.95 58.29 1b8q s SER 70 Cb -0.08 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 1b8q s SER 70 CO 0.38 -2.70 1.55 0.22 0.41 0.00 0.00 173.24 173.09 1b8q h TYR 71 N 17.47 -1.65 -0.39 2.43 3.20 -1.92 0.87 116.97 136.97 1b8q h TYR 71 Ca -0.24 0.11 0.05 0.00 3.14 0.00 0.00 58.73 61.79 1b8q h TYR 71 Cb 1.22 0.83 -0.02 0.00 1.54 0.00 0.00 36.73 40.29 1b8q h TYR 71 CO 1.00 -0.41 0.27 0.22 -1.64 0.00 0.00 178.16 177.59 1b8q h ASP 72 N -0.14 0.27 -0.06 -2.11 3.58 -1.93 0.38 116.42 116.41 1b8q h ASP 72 Ca 0.16 -0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.41 1b8q h ASP 72 Cb 0.51 -0.06 0.01 0.00 1.72 0.00 0.00 39.33 41.51 1b8q h ASP 72 CO -0.82 0.18 -0.77 -1.28 -2.88 0.00 0.00 179.24 173.67 1b8q h SER 73 N 0.31 0.78 -0.87 2.28 0.87 -0.62 -1.75 113.55 114.55 1b8q h SER 73 Ca 0.17 -0.70 -0.01 0.00 -1.23 0.00 0.00 61.79 60.02 1b8q h SER 73 Cb 0.29 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 1b8q h SER 73 CO -0.04 1.36 0.51 0.00 -0.53 0.00 0.00 176.83 178.13 1b8q h ALA 74 N 0.43 1.11 -0.05 6.23 0.00 0.15 -0.73 119.26 126.39 1b8q h ALA 74 Ca -0.08 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1b8q h ALA 74 Cb 1.43 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1b8q h ALA 74 CO 0.16 0.59 -0.57 -0.07 0.00 0.00 0.00 179.25 179.35 1b8q h LEU 75 N 1.20 0.19 -0.10 0.00 3.38 -0.95 -2.55 115.31 116.47 1b8q h LEU 75 Ca 0.31 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.97 1b8q h LEU 75 Cb -0.02 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.69 1b8q h LEU 75 CO -0.06 0.72 -0.76 1.05 0.09 0.00 0.00 178.44 179.48 1b8q h GLU 76 N 0.13 0.69 -0.89 1.13 4.11 -0.85 0.32 114.58 119.21 1b8q h GLU 76 Ca -0.00 -0.61 0.02 0.00 0.07 0.00 0.00 59.36 58.83 1b8q h GLU 76 Cb 1.04 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 1b8q h GLU 76 CO 0.08 1.22 0.59 0.28 0.07 0.00 0.00 179.01 181.25 1b8q h VAL 77 N 0.37 1.20 0.00 -1.06 2.07 -1.12 -1.81 116.25 115.90 1b8q h VAL 77 Ca -0.07 -0.41 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 1b8q h VAL 77 Cb 1.41 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1b8q h VAL 77 CO 0.15 0.22 -0.47 0.17 0.02 0.00 0.00 177.57 177.66 1b8q h LEU 78 N 1.18 0.00 -0.86 2.57 8.10 -1.42 -3.29 115.31 121.58 1b8q h LEU 78 Ca 0.34 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 58.25 1b8q h LEU 78 Cb -0.09 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.10 1b8q h LEU 78 CO -0.09 0.25 -0.01 0.03 -4.11 0.00 0.00 178.44 174.52 1b8q h ARG 79 N 0.00 0.84 -0.01 0.17 -0.00 0.49 -2.34 114.38 113.52 1b8q h ARG 79 Ca -0.02 -0.23 0.00 0.00 -0.50 0.00 0.00 59.98 59.23 1b8q h ARG 79 Cb 1.21 -0.09 -0.00 0.00 0.00 0.00 0.00 29.97 31.08 1b8q h ARG 79 CO 0.03 0.84 0.18 0.78 0.00 0.00 0.00 179.97 181.80 1b8q h GLY 80 N 0.98 0.00 -5.43 0.04 0.00 -1.51 -3.42 103.07 93.73 1b8q h GLY 80 Ca 0.15 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.89 1b8q h GLY 80 CO 0.02 0.00 1.05 1.39 0.00 0.00 0.00 176.54 179.00 1b8q n ILE 81 N -3.03 0.44 -0.14 2.60 5.41 -0.88 -4.98 119.36 118.77 1b8q n ILE 81 Ca -0.02 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1b8q n ILE 81 Cb 0.25 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.29 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 5.87 0.00 -2.53 -1.39 0.00 -1.26 -4.81 120.51 116.38 1b8q n ALA 82 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.64 1b8q n ALA 82 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.49 0.03 -2.55 0.00 7.64 -1.26 -4.49 113.62 112.50 1b8q n SER 83 Ca 0.00 -1.03 -0.07 0.00 1.01 0.00 0.00 58.87 58.79 1b8q n SER 83 Cb 0.00 -0.01 -0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.03 -2.66 -4.30 1.43 1.02 -1.26 -4.89 120.64 108.94 1b8q n GLU 84 Ca 0.00 0.26 -0.18 0.00 -0.02 0.00 0.00 57.16 57.22 1b8q n GLU 84 Cb 0.01 -4.81 -0.10 0.00 -0.02 0.00 0.00 31.44 26.52 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 -2.30 1.56 0.54 2.62 -1.32 -1.26 -5.06 115.64 110.41 1b8q s THR 85 Ca 0.03 -2.04 0.09 0.00 -1.21 0.00 0.00 61.69 58.56 1b8q s THR 85 Cb -0.02 -1.88 0.07 0.00 -1.51 0.00 0.00 72.50 69.17 1b8q s THR 85 CO 0.04 -0.55 0.74 -1.00 -2.21 0.00 0.00 174.62 171.64 1b8q s HIS 86 N -2.75 1.73 0.05 9.09 3.76 -1.26 -2.62 115.29 123.29 1b8q s HIS 86 Ca 0.18 -0.65 -0.14 0.00 -0.15 0.00 0.00 55.06 54.30 1b8q s HIS 86 Cb -0.02 -2.25 0.02 0.00 1.11 0.00 0.00 32.58 31.45 1b8q s HIS 86 CO 0.05 -0.99 0.32 0.54 -0.85 0.00 0.00 174.74 173.81 1b8q s VAL 87 N -2.59 0.08 0.30 -0.90 0.11 0.42 -4.72 120.40 113.10 1b8q s VAL 87 Ca 0.60 -0.67 0.10 0.00 -2.93 0.00 0.00 61.98 59.08 1b8q s VAL 87 Cb -0.07 -0.96 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 1b8q s VAL 87 CO 0.38 -0.37 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.08 1b8q s VAL 88 N -2.62 2.98 0.32 2.04 1.01 -1.26 -0.16 120.40 122.71 1b8q s VAL 88 Ca -0.04 -1.97 -0.12 0.00 0.00 0.00 0.00 61.98 59.84 1b8q s VAL 88 Cb -0.01 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1b8q s VAL 88 CO -0.04 -0.29 0.61 -1.48 0.00 0.00 0.00 175.10 173.90 1b8q s LEU 89 N -3.69 0.32 -0.04 3.92 2.34 0.33 0.13 118.68 122.00 1b8q s LEU 89 Ca 0.33 -1.09 0.01 0.00 0.06 0.00 0.00 54.13 53.44 1b8q s LEU 89 Cb -0.04 2.16 0.02 0.00 -0.56 0.00 0.00 46.19 47.77 1b8q s LEU 89 CO 0.19 -1.38 -0.05 -0.63 -1.06 0.00 0.00 176.35 173.43 1b8q s ILE 90 N -3.25 0.53 0.34 1.48 -1.09 -0.63 0.12 121.20 118.70 1b8q s ILE 90 Ca 0.21 -0.15 -0.03 0.00 -2.23 0.00 0.00 60.65 58.44 1b8q s ILE 90 Cb -0.03 -0.53 0.00 0.00 -1.58 0.00 0.00 42.46 40.32 1b8q s ILE 90 CO 0.12 0.21 0.48 -0.76 -1.23 0.00 0.00 174.94 173.76 1b8q s LEU 91 N 0.69 0.95 0.83 2.97 1.43 -0.08 -2.46 118.68 123.00 1b8q s LEU 91 Ca -0.09 -1.44 -0.17 0.00 -1.03 0.00 0.00 54.13 51.40 1b8q s LEU 91 Cb -0.12 1.50 -0.11 0.00 0.03 0.00 0.00 46.19 47.49 1b8q s LEU 91 CO 0.00 -1.29 -0.27 0.54 0.23 0.00 0.00 176.35 175.56 1b8q n ARG 92 N -0.55 0.01 0.00 1.70 3.00 -1.26 0.16 116.66 119.73 1b8q n ARG 92 Ca 0.01 0.02 0.00 0.00 -0.01 0.00 0.00 57.85 57.86 1b8q n ARG 92 Cb 0.62 -1.24 0.00 0.00 0.00 0.00 0.00 32.46 31.83 1b8q n ARG 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1b8q n GLY 93 N 2.71 0.89 0.00 -0.13 0.00 0.33 -3.69 105.19 105.29 1b8q n GLY 93 Ca 0.03 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 0.99 -4.25 1.61 -0.02 -1.26 0.10 135.00 132.18 1b8q n PRO 94 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.14 1b8q n PRO 94 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.33 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 -0.01 3.23 0.00 -0.52 2.02 -1.26 -4.41 118.70 117.74 1b8q s GLU 95 Ca 0.00 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.27 1b8q s GLU 95 Cb 0.00 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.49 1b8q s GLU 95 CO 0.00 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.60 1b8q n GLY 96 N 4.39 1.40 3.30 -1.39 0.00 -1.26 -5.01 105.19 106.62 1b8q n GLY 96 Ca -0.19 0.00 -0.16 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 -2.45 1.47 -0.09 1.61 0.40 -1.26 0.27 117.98 117.93 1b8q s PHE 97 Ca 0.00 -1.11 -0.01 0.00 -0.60 0.00 0.00 56.93 55.21 1b8q s PHE 97 Cb 0.00 -0.86 0.03 0.00 0.51 0.00 0.00 43.02 42.70 1b8q s PHE 97 CO 0.00 -0.26 -0.03 -0.08 0.70 0.00 0.00 175.22 175.55 1b8q s THR 98 N -3.68 0.62 -0.87 0.64 -1.32 0.31 -4.12 115.64 107.22 1b8q s THR 98 Ca 0.33 -0.03 -0.17 0.00 -1.21 0.00 0.00 61.69 60.61 1b8q s THR 98 Cb 0.07 -0.73 0.16 0.00 -1.51 0.00 0.00 72.50 70.50 1b8q s THR 98 CO 0.11 0.30 0.97 0.28 -2.21 0.00 0.00 174.62 174.06 1b8q s THR 99 N 1.87 5.06 0.00 5.08 -1.32 -1.24 -0.94 115.64 124.15 1b8q s THR 99 Ca 0.05 -1.86 0.00 0.00 -1.21 0.00 0.00 61.69 58.67 1b8q s THR 99 Cb -0.12 -4.65 0.00 0.00 -1.51 0.00 0.00 72.50 66.22 1b8q s THR 99 CO -0.06 -1.31 0.00 1.41 -2.21 0.00 0.00 174.62 172.45 1b8q n HIS 100 N 5.59 0.00 -3.32 9.09 8.25 -0.84 -4.65 115.22 129.34 1b8q n HIS 100 Ca 0.18 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.67 1b8q n HIS 100 Cb 0.48 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.54 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 -0.15 0.00 2.41 2.34 -1.26 -4.67 118.68 117.35 1b8q s LEU 101 Ca 0.00 0.22 0.00 0.00 0.06 0.00 0.00 54.13 54.41 1b8q s LEU 101 Cb 0.00 1.18 0.00 0.00 -0.56 0.00 0.00 46.19 46.81 1b8q s LEU 101 CO 0.00 -0.03 0.00 1.21 -1.06 0.00 0.00 176.35 176.47 1b8q n GLU 102 N 4.28 0.00 -2.17 1.48 0.00 0.83 -4.82 120.64 120.25 1b8q n GLU 102 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.68 1b8q n GLU 102 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.96 1b8q n GLU 102 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1b8q s THR 103 N -0.98 3.45 0.00 6.31 2.01 -1.15 -2.46 115.64 122.82 1b8q s THR 103 Ca 0.00 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.23 1b8q s THR 103 Cb 0.00 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.31 1b8q s THR 103 CO 0.00 -1.16 0.75 0.41 -0.69 0.00 0.00 174.62 173.93 1b8q n THR 104 N 7.02 0.00 -1.19 -0.82 -1.04 -1.26 -5.06 114.28 111.93 1b8q n THR 104 Ca 0.17 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.81 1b8q n THR 104 Cb 0.51 0.73 0.05 0.00 -1.82 0.00 0.00 70.33 69.81 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 0.00 -2.05 0.27 -1.42 -1.74 -1.26 -4.94 117.46 106.32 1b8q n PHE 105 Ca 0.00 0.30 -0.12 0.00 -0.56 0.00 0.00 57.45 57.08 1b8q n PHE 105 Cb 0.60 -1.78 -0.06 0.00 1.52 0.00 0.00 39.48 39.77 1b8q n PHE 105 CO 0.00 0.00 0.00 1.15 -0.56 0.00 0.00 176.76 177.35 1b8q h THR 106 N -0.45 0.03 0.00 1.97 2.02 -1.99 -3.49 112.91 110.99 1b8q h THR 106 Ca -0.44 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1b8q h THR 106 Cb 1.36 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1b8q h THR 106 CO 0.39 0.01 0.00 0.61 0.37 0.00 0.00 175.52 176.89 1b8q n GLY 107 N -0.15 -0.36 1.98 2.16 0.00 -1.26 -4.99 105.19 102.57 1b8q n GLY 107 Ca -0.09 0.55 -0.21 0.00 0.00 0.00 0.00 46.02 46.26 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 4.27 0.03 1.61 8.00 -1.26 -4.31 116.55 124.89 1b8q n ASP 108 Ca 0.00 -3.70 -0.01 0.00 0.71 0.00 0.00 54.79 51.79 1b8q n ASP 108 Cb 0.00 -0.79 -0.00 0.00 -0.02 0.00 0.00 41.12 40.30 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 -1.08 -0.07 2.81 0.44 0.00 -1.26 -4.90 105.19 101.13 1b8q n GLY 109 Ca 0.53 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.46 2.70 -2.54 2.61 5.66 -1.26 -3.30 114.28 114.69 1b8q n THR 110 Ca -0.02 -5.37 -0.42 0.00 -3.05 0.00 0.00 64.05 55.19 1b8q n THR 110 Cb 0.17 -1.26 -0.03 0.00 -1.55 0.00 0.00 70.33 67.66 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 -3.40 3.38 0.18 1.09 0.04 -1.26 -4.44 135.00 130.59 1b8q s PRO 111 Ca 0.48 0.13 -0.22 0.00 0.04 0.00 0.00 61.00 61.43 1b8q s PRO 111 Cb 0.31 -4.08 0.06 0.00 0.04 0.00 0.00 34.50 30.82 1b8q s PRO 111 CO -0.14 -1.87 0.59 -1.59 0.04 0.00 0.00 177.00 174.04 1b8q s LYS 112 N 5.28 1.34 0.21 4.56 0.00 -1.26 -4.84 119.74 125.03 1b8q s LYS 112 Ca 0.42 -0.59 -0.02 0.00 0.00 0.00 0.00 55.97 55.79 1b8q s LYS 112 Cb -0.08 0.58 0.17 0.00 0.00 0.00 0.00 37.83 38.50 1b8q s LYS 112 CO 0.22 -0.58 1.55 1.15 0.00 0.00 0.00 175.35 177.69 1b8q h THR 113 N 2.04 1.32 -2.55 3.79 2.02 -1.86 -3.40 112.91 114.27 1b8q h THR 113 Ca -0.32 -1.70 -0.64 0.00 0.77 0.00 0.00 66.41 64.52 1b8q h THR 113 Cb 1.29 1.69 -0.15 0.00 -1.74 0.00 0.00 68.15 69.25 1b8q h THR 113 CO 0.37 0.53 0.63 -0.51 0.37 0.00 0.00 175.52 176.91 1b8q s ILE 114 N -4.09 4.41 -0.37 3.11 -1.16 -1.26 -0.12 121.20 121.72 1b8q s ILE 114 Ca -0.07 -0.67 0.07 0.00 -0.51 0.00 0.00 60.65 59.47 1b8q s ILE 114 Cb 0.12 -4.72 0.19 0.00 0.61 0.00 0.00 42.46 38.66 1b8q s ILE 114 CO 0.83 -1.48 0.63 -0.60 -2.81 0.00 0.00 174.94 171.51 1b8q s ARG 115 N 3.75 0.73 -0.48 3.50 3.00 -1.03 -4.84 118.95 123.57 1b8q s ARG 115 Ca 0.25 -0.02 0.06 0.00 -1.00 0.00 0.00 55.73 55.02 1b8q s ARG 115 Cb -0.14 0.14 0.25 0.00 0.00 0.00 0.00 34.95 35.21 1b8q s ARG 115 CO 0.05 -1.13 0.93 0.28 0.00 0.00 0.00 175.30 175.43 1b8q n VAL 116 N 4.70 0.00 -2.47 7.11 0.31 -1.26 -4.06 118.33 122.65 1b8q n VAL 116 Ca 0.09 -1.48 -0.43 0.00 -0.01 0.00 0.00 64.34 62.51 1b8q n VAL 116 Cb 0.56 1.49 -0.02 0.00 -0.91 0.00 0.00 33.84 34.96 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 0.63 4.36 -0.01 2.52 2.01 -1.24 -1.99 115.64 121.92 1b8q s THR 117 Ca 0.31 1.64 0.04 0.00 0.31 0.00 0.00 61.69 63.98 1b8q s THR 117 Cb 0.24 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1b8q s THR 117 CO -0.22 -0.16 -0.12 0.00 -0.69 0.00 0.00 174.62 173.42 1b8q s GLN 118 N 3.46 1.04 0.26 4.92 -2.07 -0.12 -4.81 119.66 122.34 1b8q s GLN 118 Ca 0.52 -0.44 -0.30 0.00 -1.82 0.00 0.00 55.36 53.33 1b8q s GLN 118 Cb -0.20 -1.00 -0.10 0.00 -1.09 0.00 0.00 33.01 30.62 1b8q s GLN 118 CO 0.13 0.26 1.37 -1.25 -1.32 0.00 0.00 175.29 174.48 1b8q s PRO 119 N -0.24 4.32 -0.16 9.60 0.04 -1.26 0.11 135.00 147.41 1b8q s PRO 119 Ca 0.04 2.22 -0.15 0.00 0.04 0.00 0.00 61.00 63.15 1b8q s PRO 119 Cb -0.05 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 1b8q s PRO 119 CO -0.00 -0.32 -0.29 1.47 0.04 0.00 0.00 177.00 177.90 1b8q n LEU 120 N 2.02 1.75 0.00 -3.56 -0.00 0.14 -4.88 117.00 112.48 1b8q n LEU 120 Ca 0.05 0.35 0.00 0.00 -0.00 0.00 0.00 56.01 56.41 1b8q n LEU 120 Cb 0.41 -0.74 0.00 0.00 -0.00 0.00 0.00 43.42 43.09 1b8q n LEU 120 CO 0.59 -0.32 0.00 0.61 -0.00 0.00 0.00 177.39 178.27 1b8q n GLY 121 N 1.49 2.35 3.80 1.47 0.00 -1.25 -5.07 105.19 107.98 1b8q n GLY 121 Ca -0.12 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 3.33 0.00 1.61 0.04 -1.26 -5.01 135.00 133.70 1b8q s PRO 122 Ca 0.00 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1b8q s PRO 122 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1b8q s PRO 122 CO 0.00 -0.81 0.00 -0.35 0.04 0.00 0.00 177.00 175.88 1b8q n PRO 123 N -1.92 0.05 0.00 0.56 -0.04 -1.26 -5.01 135.00 127.38 1b8q n PRO 123 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1b8q n PRO 123 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1b8q n PRO 123 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1b8q n THR 124 N -1.49 0.00 -2.69 0.52 -1.04 -1.26 -4.88 114.28 103.44 1b8q n THR 124 Ca 0.00 1.04 -0.19 0.00 -2.04 0.00 0.00 64.05 62.87 1b8q n THR 124 Cb 0.00 -1.87 0.02 0.00 -1.82 0.00 0.00 70.33 66.66 1b8q n THR 124 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1b8q n LYS 125 N -0.82 -3.14 -0.55 -2.82 4.76 -1.26 -4.88 118.16 109.46 1b8q n LYS 125 Ca 0.00 0.81 0.05 0.00 -2.87 0.00 0.00 58.31 56.31 1b8q n LYS 125 Cb 0.00 -5.36 0.26 0.00 -1.84 0.00 0.00 35.03 28.09 1b8q n LYS 125 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1b8q n ALA 126 N -2.75 3.27 -0.41 7.82 0.00 -1.26 -5.30 120.51 121.89 1b8q n ALA 126 Ca -0.14 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1b8q n ALA 126 Cb 0.63 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1b8q n ALA 126 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05