#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 0.00 -4.57 1.61 7.64 -1.26 -4.59 113.62 112.45 1b8q n SER 2 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1b8q n SER 2 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1b8q n SER 2 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1b8q s HIS 3 N 0.00 3.06 0.00 1.43 0.00 -1.26 -4.67 115.29 113.84 1b8q s HIS 3 Ca 0.00 -0.10 0.00 0.00 -3.00 0.00 0.00 55.06 51.96 1b8q s HIS 3 Cb 0.00 -1.88 0.00 0.00 -4.00 0.00 0.00 32.58 26.70 1b8q s HIS 3 CO 0.00 0.17 0.00 -1.33 -1.00 0.00 0.00 174.74 172.58 1b8q n MET 4 N 2.95 0.00 0.00 -0.38 2.00 -1.10 -5.05 117.12 115.54 1b8q n MET 4 Ca -0.18 0.29 0.00 0.00 0.00 0.00 0.00 57.70 57.81 1b8q n MET 4 Cb 0.53 -0.76 0.00 0.00 0.00 0.00 0.00 33.22 32.99 1b8q n MET 4 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 1b8q n ILE 5 N -1.92 0.00 -4.10 2.02 3.06 -1.22 -4.92 119.36 112.29 1b8q n ILE 5 Ca 0.00 0.00 -0.10 0.00 -2.50 0.00 0.00 62.75 60.15 1b8q n ILE 5 Cb 0.00 0.00 -0.10 0.00 0.54 0.00 0.00 39.64 40.08 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 0.00 0.63 0.00 9.51 2.02 -1.26 -5.07 118.70 124.53 1b8q s GLU 6 Ca 0.00 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 53.92 1b8q s GLU 6 Cb 0.00 -0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.14 1b8q s GLU 6 CO 0.00 -0.03 0.48 -0.35 0.02 0.00 0.00 175.26 175.39 1b8q n PRO 7 N 0.59 0.00 -0.00 0.39 -0.04 -1.26 -4.44 135.00 130.24 1b8q n PRO 7 Ca -0.17 0.23 0.02 0.00 -0.04 0.00 0.00 63.50 63.55 1b8q n PRO 7 Cb 0.59 -0.98 -0.03 0.00 -0.04 0.00 0.00 33.50 33.04 1b8q n PRO 7 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1b8q n ASN 8 N -0.72 0.29 -4.83 3.54 4.13 -1.26 -5.02 115.26 111.40 1b8q n ASN 8 Ca 0.00 -0.60 -0.33 0.00 1.68 0.00 0.00 54.58 55.34 1b8q n ASN 8 Cb 0.00 1.00 -0.05 0.00 -1.54 0.00 0.00 39.78 39.19 1b8q n ASN 8 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1b8q s VAL 9 N -1.46 4.39 0.07 2.41 1.01 -1.26 -4.63 120.40 120.94 1b8q s VAL 9 Ca 0.02 1.37 0.09 0.00 0.00 0.00 0.00 61.98 63.46 1b8q s VAL 9 Cb 0.03 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1b8q s VAL 9 CO 0.19 -0.44 -0.24 -0.63 0.00 0.00 0.00 175.10 173.98 1b8q s ILE 10 N -2.32 1.98 0.47 2.22 1.09 -0.90 -4.40 121.20 119.34 1b8q s ILE 10 Ca 0.61 -1.43 0.05 0.00 -1.10 0.00 0.00 60.65 58.79 1b8q s ILE 10 Cb -0.10 -1.73 0.02 0.00 -1.06 0.00 0.00 42.46 39.59 1b8q s ILE 10 CO 0.20 0.22 0.65 -0.55 -0.10 0.00 0.00 174.94 175.36 1b8q s SER 11 N -1.46 5.50 0.18 3.58 0.15 -1.26 0.01 113.70 120.40 1b8q s SER 11 Ca 0.10 -0.25 -0.19 0.00 0.70 0.00 0.00 55.95 56.32 1b8q s SER 11 Cb -0.10 -0.76 0.04 0.00 -1.71 0.00 0.00 66.02 63.50 1b8q s SER 11 CO 0.03 -0.92 0.54 -0.69 1.20 0.00 0.00 173.24 173.41 1b8q s VAL 12 N -2.52 0.02 -0.17 4.45 1.01 0.41 -4.54 120.40 119.06 1b8q s VAL 12 Ca 0.56 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 1b8q s VAL 12 Cb -0.10 -1.41 0.08 0.00 0.00 0.00 0.00 36.38 34.94 1b8q s VAL 12 CO 0.35 -0.11 0.36 -0.60 0.00 0.00 0.00 175.10 175.11 1b8q s ARG 13 N -3.84 0.26 0.48 2.72 3.52 -1.26 0.91 118.95 121.75 1b8q s ARG 13 Ca 0.06 0.91 0.02 0.00 -0.13 0.00 0.00 55.73 56.59 1b8q s ARG 13 Cb -0.01 0.17 -0.02 0.00 -1.56 0.00 0.00 34.95 33.53 1b8q s ARG 13 CO -0.06 -0.25 0.05 -0.51 -0.81 0.00 0.00 175.30 173.71 1b8q s LEU 14 N 2.43 2.20 0.13 -0.88 1.02 0.27 -4.81 118.68 119.04 1b8q s LEU 14 Ca -0.01 -1.66 0.11 0.00 0.02 0.00 0.00 54.13 52.58 1b8q s LEU 14 Cb -0.12 -0.52 -0.04 0.00 0.02 0.00 0.00 46.19 45.53 1b8q s LEU 14 CO -0.11 -0.88 -0.25 0.12 0.02 0.00 0.00 176.35 175.25 1b8q s PHE 15 N -2.98 2.35 -0.22 0.29 2.19 -1.26 0.19 117.98 118.54 1b8q s PHE 15 Ca 0.12 -0.36 0.02 0.00 0.33 0.00 0.00 56.93 57.04 1b8q s PHE 15 Cb 0.02 -1.27 0.22 0.00 -1.31 0.00 0.00 43.02 40.68 1b8q s PHE 15 CO 0.07 0.35 1.24 1.63 1.83 0.00 0.00 175.22 180.34 1b8q n LYS 16 N 0.88 1.51 -2.63 10.12 5.02 -1.06 -3.73 118.16 128.27 1b8q n LYS 16 Ca -0.18 -0.96 -0.07 0.00 -2.02 0.00 0.00 58.31 55.08 1b8q n LYS 16 Cb 0.53 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 34.11 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 0.00 -2.70 -1.58 1.97 5.12 -1.26 0.14 116.66 118.36 1b8q n ARG 17 Ca 0.18 0.20 -0.05 0.00 -1.93 0.00 0.00 57.85 56.25 1b8q n ARG 17 Cb 0.83 -4.74 -0.01 0.00 -1.16 0.00 0.00 32.46 27.38 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 -1.63 -1.40 5.56 0.00 -1.26 -4.43 118.16 112.27 1b8q n LYS 18 Ca -0.04 0.25 -0.03 0.00 -0.00 0.00 0.00 58.31 58.49 1b8q n LYS 18 Cb 0.53 -4.49 0.01 0.00 -0.00 0.00 0.00 35.03 31.08 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 -1.80 0.00 -3.54 0.58 0.24 0.09 -4.24 118.33 109.66 1b8q n VAL 19 Ca -0.05 -0.26 -0.20 0.00 -2.04 0.00 0.00 64.34 61.79 1b8q n VAL 19 Cb 0.28 0.53 0.02 0.00 -1.47 0.00 0.00 33.84 33.20 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 -0.41 -1.18 2.41 7.63 0.00 0.38 -4.97 105.19 109.05 1b8q n GLY 20 Ca -0.16 0.51 -0.15 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 2.31 0.49 -0.02 0.00 -0.52 -4.94 105.19 100.80 1b8q n GLY 21 Ca -0.14 -0.99 0.28 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 3.12 0.00 0.00 0.99 4.07 -1.79 -3.37 115.31 118.33 1b8q h LEU 22 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 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 0.36 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.33 1b8q n GLY 23 N -1.65 1.06 3.47 0.83 0.00 -1.26 0.50 105.19 108.14 1b8q n GLY 23 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.61 0.78 1.61 -0.71 -1.26 -0.29 117.98 115.51 1b8q s PHE 24 Ca 0.00 1.45 -0.12 0.00 -1.04 0.00 0.00 56.93 57.22 1b8q s PHE 24 Cb 0.00 0.22 0.06 0.00 -1.21 0.00 0.00 43.02 42.10 1b8q s PHE 24 CO 0.00 -0.33 1.15 -0.51 -1.34 0.00 0.00 175.22 174.19 1b8q s LEU 25 N 0.11 2.59 -0.04 -1.99 1.43 0.10 -4.79 118.68 116.10 1b8q s LEU 25 Ca -0.01 0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 53.86 1b8q s LEU 25 Cb -0.04 -3.49 0.02 0.00 0.03 0.00 0.00 46.19 42.72 1b8q s LEU 25 CO 0.02 -1.78 0.30 0.68 0.23 0.00 0.00 176.35 175.80 1b8q s VAL 26 N -3.49 0.04 -0.13 -1.59 -7.23 -1.26 -2.30 120.40 104.45 1b8q s VAL 26 Ca 0.61 -0.36 -0.00 0.00 -1.81 0.00 0.00 61.98 60.41 1b8q s VAL 26 Cb -0.11 -0.55 0.03 0.00 0.56 0.00 0.00 36.38 36.30 1b8q s VAL 26 CO 0.50 -0.20 -0.07 -0.75 -0.31 0.00 0.00 175.10 174.27 1b8q s LYS 27 N -0.92 1.52 -0.46 4.82 2.20 0.30 -4.86 119.74 122.35 1b8q s LYS 27 Ca -0.10 -0.32 -0.02 0.00 -0.36 0.00 0.00 55.97 55.18 1b8q s LYS 27 Cb -0.05 -1.69 0.12 0.00 -1.51 0.00 0.00 37.83 34.70 1b8q s LYS 27 CO 0.03 -0.30 0.25 -2.00 -0.36 0.00 0.00 175.35 172.96 1b8q s GLU 28 N 1.69 2.07 -0.03 4.03 -6.30 -1.26 -0.02 118.70 118.87 1b8q s GLU 28 Ca 0.04 -2.04 -0.33 0.00 -2.50 0.00 0.00 54.97 50.14 1b8q s GLU 28 Cb -0.13 -3.56 -0.11 0.00 0.00 0.00 0.00 34.13 30.33 1b8q s GLU 28 CO -0.08 -1.08 1.92 0.54 0.02 0.00 0.00 175.26 176.57 1b8q n ARG 29 N 4.21 2.46 0.05 4.30 1.74 -1.26 -4.58 116.66 123.57 1b8q n ARG 29 Ca 0.01 0.90 0.19 0.00 -0.77 0.00 0.00 57.85 58.19 1b8q n ARG 29 Cb 0.40 -2.79 0.52 0.00 -1.02 0.00 0.00 32.46 29.57 1b8q n ARG 29 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1b8q h VAL 30 N 5.50 0.11 -1.65 1.55 2.07 -1.95 -2.95 116.25 118.94 1b8q h VAL 30 Ca -0.49 0.00 -0.45 0.00 0.82 0.00 0.00 66.70 66.58 1b8q h VAL 30 Cb 1.26 0.30 -0.31 0.00 -1.52 0.00 0.00 31.29 31.02 1b8q h VAL 30 CO 0.95 0.00 -0.87 -1.20 0.02 0.00 0.00 177.57 176.47 1b8q n SER 31 N -3.21 -1.13 -3.85 0.57 7.64 -1.26 -4.95 113.62 107.42 1b8q n SER 31 Ca 0.11 -2.71 0.03 0.00 1.01 0.00 0.00 58.87 57.31 1b8q n SER 31 Cb 1.00 0.17 0.01 0.00 -1.01 0.00 0.00 64.21 64.38 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 -0.13 0.22 0.73 1.43 -0.14 -1.11 -5.18 119.74 115.57 1b8q s LYS 32 Ca 0.33 -0.14 -0.09 0.00 -1.36 0.00 0.00 55.97 54.71 1b8q s LYS 32 Cb 0.11 0.06 0.14 0.00 -1.68 0.00 0.00 37.83 36.46 1b8q s LYS 32 CO -0.15 -0.11 0.32 -2.30 -0.76 0.00 0.00 175.35 172.35 1b8q n PRO 33 N -0.86 -1.09 -0.77 -1.68 -0.02 -1.26 -4.78 135.00 124.53 1b8q n PRO 33 Ca 0.02 -0.54 -0.33 0.00 -2.02 0.00 0.00 63.50 60.63 1b8q n PRO 33 Cb 0.59 -1.08 0.12 0.00 -0.02 0.00 0.00 33.50 33.12 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 -1.33 -1.12 -2.75 0.52 -0.02 -1.19 -4.54 135.00 124.58 1b8q n PRO 34 Ca 0.05 -0.32 -0.36 0.00 -2.02 0.00 0.00 63.50 60.86 1b8q n PRO 34 Cb 0.22 -1.43 -0.06 0.00 -0.02 0.00 0.00 33.50 32.21 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 -2.14 4.16 0.29 -1.45 0.11 -1.21 -4.66 120.40 115.50 1b8q s VAL 35 Ca 0.47 1.64 0.05 0.00 -2.93 0.00 0.00 61.98 61.21 1b8q s VAL 35 Cb -0.03 -3.84 -0.06 0.00 -1.53 0.00 0.00 36.38 30.92 1b8q s VAL 35 CO 0.62 -0.01 -0.01 -0.51 -3.33 0.00 0.00 175.10 171.86 1b8q s ILE 36 N -1.78 1.43 0.19 7.04 1.10 0.97 -4.32 121.20 125.83 1b8q s ILE 36 Ca 0.55 -2.07 -0.24 0.00 -0.51 0.00 0.00 60.65 58.38 1b8q s ILE 36 Cb -0.17 -2.56 -0.08 0.00 0.15 0.00 0.00 42.46 39.81 1b8q s ILE 36 CO 0.22 -0.21 0.77 -0.63 -2.11 0.00 0.00 174.94 172.98 1b8q s ILE 37 N -3.14 4.41 -0.13 2.00 1.01 -1.26 0.11 121.20 124.19 1b8q s ILE 37 Ca 0.32 1.61 0.04 0.00 0.00 0.00 0.00 60.65 62.62 1b8q s ILE 37 Cb 0.06 -4.06 -0.11 0.00 0.01 0.00 0.00 42.46 38.35 1b8q s ILE 37 CO 0.13 0.43 -0.07 -0.24 0.00 0.00 0.00 174.94 175.19 1b8q n SER 38 N 1.34 2.66 -3.64 3.58 2.88 -0.97 -0.94 113.62 118.53 1b8q n SER 38 Ca -0.05 -0.05 -0.04 0.00 -1.33 0.00 0.00 58.87 57.40 1b8q n SER 38 Cb 0.49 0.11 -0.07 0.00 -0.75 0.00 0.00 64.21 64.00 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 -5.06 -0.48 -1.13 -3.46 2.15 -1.26 -4.68 116.67 102.75 1b8q s ASP 39 Ca -0.15 0.81 -0.22 0.00 0.43 0.00 0.00 52.55 53.42 1b8q s ASP 39 Cb 0.04 1.10 -0.09 0.00 -0.30 0.00 0.00 42.92 43.67 1b8q s ASP 39 CO 0.38 -0.13 1.92 0.18 -0.17 0.00 0.00 175.17 177.35 1b8q n LEU 40 N 3.30 3.30 -0.27 -1.34 4.77 -1.26 0.03 117.00 125.54 1b8q n LEU 40 Ca -0.17 -3.17 -0.06 0.00 -0.03 0.00 0.00 56.01 52.58 1b8q n LEU 40 Cb 0.57 -1.65 -0.05 0.00 -2.33 0.00 0.00 43.42 39.97 1b8q n LEU 40 CO 0.02 -1.53 0.33 0.00 -1.33 0.00 0.00 177.39 174.88 1b8q n ILE 41 N 7.48 -0.42 -0.01 -0.08 0.13 0.61 -3.83 119.36 123.23 1b8q n ILE 41 Ca 0.46 1.57 -0.01 0.00 -1.10 0.00 0.00 62.75 63.67 1b8q n ILE 41 Cb 0.46 -1.97 -0.00 0.00 -0.84 0.00 0.00 39.64 37.29 1b8q n ILE 41 CO 0.00 0.00 0.00 -1.14 2.80 0.00 0.00 176.55 178.21 1b8q n ARG 42 N -4.84 0.05 0.00 9.51 0.00 -1.18 -4.98 116.66 115.22 1b8q n ARG 42 Ca 0.02 0.17 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 1b8q n ARG 42 Cb 0.19 -0.74 0.00 0.00 0.00 0.00 0.00 32.46 31.90 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 1.75 0.00 5.14 0.00 -1.25 -5.01 105.19 107.45 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 -0.81 0.00 0.00 -0.02 0.00 -1.26 -4.37 105.19 98.73 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 -1.60 0.00 0.43 4.61 0.00 -1.26 -4.00 120.51 118.70 1b8q n ALA 45 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1b8q n ALA 45 Cb 0.27 0.00 -0.09 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 -1.09 -0.70 0.00 0.00 -0.24 -1.88 119.26 113.36 1b8q h ALA 46 Ca 0.00 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 54.82 1b8q h ALA 46 Cb 0.00 0.42 -0.11 0.00 0.00 0.00 0.00 17.79 18.10 1b8q h ALA 46 CO 0.00 -1.10 0.09 1.49 0.00 0.00 0.00 179.25 179.72 1b8q h GLU 47 N -1.10 0.18 -0.52 0.00 4.81 -1.81 0.69 114.58 116.83 1b8q h GLU 47 Ca -0.11 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1b8q h GLU 47 Cb 0.83 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 1b8q h GLU 47 CO 0.18 0.12 0.35 0.37 -0.73 0.00 0.00 179.01 179.30 1b8q h GLN 48 N 0.18 0.46 -0.08 1.92 5.75 -1.66 -1.74 115.11 119.94 1b8q h GLN 48 Ca 0.38 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.89 1b8q h GLN 48 Cb 0.66 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.06 1b8q h GLN 48 CO -0.55 0.30 -0.16 1.03 -2.65 0.00 0.00 178.83 176.81 1b8q h SER 49 N 0.47 -0.49 0.00 -0.69 0.87 0.12 -3.47 113.55 110.37 1b8q h SER 49 Ca 0.22 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1b8q h SER 49 Cb 0.29 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1b8q h SER 49 CO -0.06 -0.21 0.00 0.61 -0.53 0.00 0.00 176.83 176.64 1b8q n GLY 50 N -1.30 2.38 0.08 5.77 0.00 -0.65 -4.90 105.19 106.57 1b8q n GLY 50 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 0.26 -4.66 0.99 -0.00 -1.26 -4.87 117.00 107.46 1b8q n LEU 51 Ca 0.00 0.12 -0.42 0.00 -0.00 0.00 0.00 56.01 55.71 1b8q n LEU 51 Cb 0.00 0.33 -0.03 0.00 -0.00 0.00 0.00 43.42 43.71 1b8q n LEU 51 CO 0.00 0.37 0.76 -0.63 -0.00 0.00 0.00 177.39 177.90 1b8q s ILE 52 N -2.69 4.78 0.07 1.47 1.09 -1.26 -4.63 121.20 120.03 1b8q s ILE 52 Ca -0.08 1.81 -0.18 0.00 -1.10 0.00 0.00 60.65 61.10 1b8q s ILE 52 Cb 0.08 -4.22 0.04 0.00 -1.06 0.00 0.00 42.46 37.30 1b8q s ILE 52 CO 0.84 -0.09 0.42 -1.10 -0.10 0.00 0.00 174.94 174.91 1b8q s GLN 53 N 2.76 0.98 -0.05 2.79 -0.21 -1.26 -4.04 119.66 120.63 1b8q s GLN 53 Ca 0.41 -0.46 -0.30 0.00 0.02 0.00 0.00 55.36 55.03 1b8q s GLN 53 Cb -0.16 0.44 -0.06 0.00 1.00 0.00 0.00 33.01 34.23 1b8q s GLN 53 CO 0.09 -0.36 1.67 0.00 -2.12 0.00 0.00 175.29 174.57 1b8q s ALA 54 N -2.90 3.62 0.00 6.09 0.00 -1.26 -1.42 121.76 125.88 1b8q s ALA 54 Ca -0.03 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1b8q s ALA 54 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1b8q s ALA 54 CO -0.05 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 174.71 1b8q n GLY 55 N 4.15 1.16 0.00 0.00 0.00 -0.11 -4.93 105.19 105.46 1b8q n GLY 55 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.56 1.61 9.92 -0.51 -4.92 116.55 119.10 1b8q n ASP 56 Ca 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1b8q n ASP 56 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 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 -0.76 -0.36 0.53 1.10 -1.26 -4.93 121.20 115.52 1b8q s ILE 57 Ca 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.15 1b8q s ILE 57 Cb 0.00 -1.00 0.14 0.00 0.15 0.00 0.00 42.46 41.75 1b8q s ILE 57 CO 0.00 0.00 0.23 -0.51 -2.11 0.00 0.00 174.94 172.55 1b8q s ILE 58 N 2.66 0.15 0.00 2.00 1.10 -1.26 -4.84 121.20 121.00 1b8q s ILE 58 Ca -0.05 -1.81 0.00 0.00 -0.51 0.00 0.00 60.65 58.28 1b8q s ILE 58 Cb -0.09 -1.12 0.00 0.00 0.15 0.00 0.00 42.46 41.40 1b8q s ILE 58 CO -0.18 -1.02 0.08 -0.11 -2.11 0.00 0.00 174.94 171.60 1b8q n LEU 59 N 3.89 0.08 -4.53 8.50 7.94 -1.06 -4.20 117.00 127.63 1b8q n LEU 59 Ca 0.14 0.53 -0.25 0.00 -1.11 0.00 0.00 56.01 55.32 1b8q n LEU 59 Cb 0.39 -0.48 -0.11 0.00 0.53 0.00 0.00 43.42 43.75 1b8q n LEU 59 CO 0.13 -0.48 -0.37 0.00 -1.11 0.00 0.00 177.39 175.55 1b8q s ALA 60 N -3.03 2.86 0.07 1.96 0.00 -1.08 -4.06 121.76 118.48 1b8q s ALA 60 Ca 0.00 -2.08 -0.11 0.00 0.00 0.00 0.00 51.96 49.77 1b8q s ALA 60 Cb 0.00 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.16 1b8q s ALA 60 CO 0.00 0.03 0.24 0.08 0.00 0.00 0.00 175.76 176.11 1b8q s VAL 61 N -2.70 0.11 0.00 0.00 1.01 -1.25 -2.20 120.40 115.37 1b8q s VAL 61 Ca 0.32 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1b8q s VAL 61 Cb 0.03 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1b8q s VAL 61 CO 0.16 -0.50 0.00 -0.46 0.00 0.00 0.00 175.10 174.29 1b8q n ASN 62 N 0.30 0.00 -1.43 3.32 0.23 0.58 -1.64 115.26 116.61 1b8q n ASN 62 Ca -0.17 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 53.87 1b8q n ASN 62 Cb 0.61 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.32 1b8q n ASN 62 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1b8q n ASP 63 N 1.06 -0.32 -4.13 0.53 5.75 -1.26 -3.59 116.55 114.59 1b8q n ASP 63 Ca 0.00 -1.05 -0.28 0.00 -0.01 0.00 0.00 54.79 53.45 1b8q n ASP 63 Cb 0.00 0.14 -0.17 0.00 -1.03 0.00 0.00 41.12 40.06 1b8q n ASP 63 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b8q s ARG 64 N 0.02 2.40 -0.94 0.11 1.04 -0.66 -5.05 118.95 115.87 1b8q s ARG 64 Ca 0.02 -0.66 -0.25 0.00 -1.04 0.00 0.00 55.73 53.79 1b8q s ARG 64 Cb 0.08 -1.87 -0.13 0.00 -2.04 0.00 0.00 34.95 30.98 1b8q s ARG 64 CO -0.02 0.12 2.18 -2.14 -0.04 0.00 0.00 175.30 175.39 1b8q s PRO 65 N 0.46 1.81 -1.35 3.89 0.02 -1.26 -3.88 135.00 134.69 1b8q s PRO 65 Ca -0.16 -0.12 -0.10 0.00 0.02 0.00 0.00 61.00 60.64 1b8q s PRO 65 Cb -0.17 -4.95 0.12 0.00 0.02 0.00 0.00 34.50 29.52 1b8q s PRO 65 CO 0.06 -4.43 2.09 -0.11 -0.33 0.00 0.00 177.00 174.28 1b8q n LEU 66 N 17.40 7.01 0.09 -5.54 0.00 -1.26 -4.38 117.00 130.33 1b8q n LEU 66 Ca 0.44 -4.54 0.00 0.00 0.00 0.00 0.00 56.01 51.91 1b8q n LEU 66 Cb 0.45 -1.51 0.00 0.00 0.00 0.00 0.00 43.42 42.36 1b8q n LEU 66 CO 0.58 1.44 0.00 1.33 0.00 0.00 0.00 177.39 180.75 1b8q n VAL 67 N 3.56 0.44 -1.86 1.96 0.24 -1.26 -3.36 118.33 118.05 1b8q n VAL 67 Ca 0.48 0.15 0.05 0.00 -2.04 0.00 0.00 64.34 62.98 1b8q n VAL 67 Cb 0.35 -0.87 0.13 0.00 -1.47 0.00 0.00 33.84 31.97 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 -3.35 1.44 -2.62 -1.34 -0.08 -1.26 -3.18 116.55 106.15 1b8q n ASP 68 Ca 0.00 -3.09 -0.04 0.00 -1.51 0.00 0.00 54.79 50.15 1b8q n ASP 68 Cb 0.00 -0.42 0.01 0.00 2.34 0.00 0.00 41.12 43.05 1b8q n ASP 68 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1b8q n LEU 69 N -0.56 0.00 -4.63 -2.67 -0.00 -1.26 -5.03 117.00 102.85 1b8q n LEU 69 Ca 0.13 -0.53 -0.43 0.00 -0.00 0.00 0.00 56.01 55.18 1b8q n LEU 69 Cb 0.83 -0.09 -0.02 0.00 -0.00 0.00 0.00 43.42 44.14 1b8q n LEU 69 CO -0.03 -0.55 1.12 -0.55 -0.00 0.00 0.00 177.39 177.38 1b8q s SER 70 N -1.77 6.67 0.23 1.45 0.15 -1.26 -4.91 113.70 114.26 1b8q s SER 70 Ca 0.13 1.14 -0.13 0.00 0.70 0.00 0.00 55.95 57.79 1b8q s SER 70 Cb -0.01 -2.54 0.29 0.00 -1.71 0.00 0.00 66.02 62.05 1b8q s SER 70 CO 0.08 -1.09 1.59 0.22 1.20 0.00 0.00 173.24 175.24 1b8q h TYR 71 N 9.27 -0.55 0.00 3.44 3.20 -1.92 0.54 116.97 130.95 1b8q h TYR 71 Ca -0.26 0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.64 1b8q h TYR 71 Cb 1.09 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 1b8q h TYR 71 CO 0.89 -0.35 -0.22 -0.44 -1.64 0.00 0.00 178.16 176.40 1b8q h ASP 72 N -0.03 0.00 -0.28 -2.11 3.32 -1.91 -1.50 116.42 113.91 1b8q h ASP 72 Ca 0.35 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.23 1b8q h ASP 72 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1b8q h ASP 72 CO -0.80 0.22 -0.51 -1.28 -1.72 0.00 0.00 179.24 175.15 1b8q h SER 73 N 0.00 0.94 -0.31 6.45 0.87 -0.40 -1.83 113.55 119.26 1b8q h SER 73 Ca -0.00 -0.53 -0.04 0.00 -1.23 0.00 0.00 61.79 59.98 1b8q h SER 73 Cb 0.41 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1b8q h SER 73 CO 0.03 1.29 0.02 0.00 -0.53 0.00 0.00 176.83 177.64 1b8q h ALA 74 N 0.67 0.42 0.00 6.23 0.00 -0.57 -1.67 119.26 124.34 1b8q h ALA 74 Ca 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1b8q h ALA 74 Cb 1.12 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1b8q h ALA 74 CO 0.12 0.14 -0.16 -0.07 0.00 0.00 0.00 179.25 179.28 1b8q h LEU 75 N 0.34 0.00 -0.12 0.00 3.38 -1.26 -2.17 115.31 115.48 1b8q h LEU 75 Ca 0.09 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.82 1b8q h LEU 75 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1b8q h LEU 75 CO 0.01 0.16 -0.99 1.05 0.09 0.00 0.00 178.44 178.76 1b8q h GLU 76 N 0.00 0.42 -0.79 1.13 4.11 -0.99 -0.39 114.58 118.07 1b8q h GLU 76 Ca -0.00 -0.48 -0.01 0.00 0.07 0.00 0.00 59.36 58.94 1b8q h GLU 76 Cb 0.31 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1b8q h GLU 76 CO 0.02 1.14 0.45 0.28 0.07 0.00 0.00 179.01 180.97 1b8q h VAL 77 N 0.22 1.23 0.01 -1.06 2.07 -0.70 -1.69 116.25 116.34 1b8q h VAL 77 Ca -0.09 -0.56 -0.19 0.00 0.82 0.00 0.00 66.70 66.68 1b8q h VAL 77 Cb 1.64 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1b8q h VAL 77 CO 0.17 0.25 -0.87 0.17 0.02 0.00 0.00 177.57 177.31 1b8q h LEU 78 N 1.09 0.20 -1.57 2.57 8.10 -1.44 -3.19 115.31 121.07 1b8q h LEU 78 Ca 0.28 -0.16 -0.03 0.00 0.11 0.00 0.00 57.88 58.08 1b8q h LEU 78 Cb 0.01 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.16 1b8q h LEU 78 CO -0.05 0.98 -0.00 0.03 -4.11 0.00 0.00 178.44 175.29 1b8q h ARG 79 N 0.08 0.27 0.00 0.17 -0.00 -0.43 -1.30 114.38 113.17 1b8q h ARG 79 Ca -0.04 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.40 1b8q h ARG 79 Cb 1.51 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 31.43 1b8q h ARG 79 CO 0.13 0.30 0.00 0.78 0.00 0.00 0.00 179.97 181.17 1b8q h GLY 80 N 0.54 0.00 -4.14 0.04 0.00 -1.31 -3.43 103.07 94.76 1b8q h GLY 80 Ca 0.06 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.86 1b8q h GLY 80 CO 0.00 0.00 0.78 -0.42 0.00 0.00 0.00 176.54 176.91 1b8q s ILE 81 N -3.72 2.38 0.00 2.60 1.01 -0.49 -5.02 121.20 117.96 1b8q s ILE 81 Ca -0.01 0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.98 1b8q s ILE 81 Cb 0.10 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.35 1b8q s ILE 81 CO 0.38 0.06 0.00 0.00 0.00 0.00 0.00 174.94 175.38 1b8q n ALA 82 N 1.69 0.00 -2.87 9.38 0.00 -1.26 -4.98 120.51 122.48 1b8q n ALA 82 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.44 1b8q n ALA 82 Cb 0.39 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.63 0.43 -3.21 0.00 7.64 -1.26 -4.54 113.62 111.05 1b8q n SER 83 Ca 0.00 -1.32 -0.18 0.00 1.01 0.00 0.00 58.87 58.38 1b8q n SER 83 Cb 0.00 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 1b8q n SER 83 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1b8q n GLU 84 N -1.30 -1.84 -4.40 1.43 0.28 -1.26 -4.86 120.64 108.69 1b8q n GLU 84 Ca 0.04 0.06 -0.20 0.00 -0.16 0.00 0.00 57.16 56.89 1b8q n GLU 84 Cb 0.13 -4.14 -0.10 0.00 1.43 0.00 0.00 31.44 28.75 1b8q n GLU 84 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1b8q s THR 85 N -2.37 1.62 0.63 3.84 -1.32 -1.26 -5.01 115.64 111.75 1b8q s THR 85 Ca 0.35 -2.14 0.05 0.00 -1.21 0.00 0.00 61.69 58.74 1b8q s THR 85 Cb -0.21 -2.34 0.10 0.00 -1.51 0.00 0.00 72.50 68.54 1b8q s THR 85 CO 0.43 -0.38 0.86 -1.00 -2.21 0.00 0.00 174.62 172.33 1b8q s HIS 86 N -3.04 1.63 -0.07 9.09 3.76 -1.26 -2.58 115.29 122.82 1b8q s HIS 86 Ca 0.28 -0.49 -0.15 0.00 -0.15 0.00 0.00 55.06 54.54 1b8q s HIS 86 Cb 0.03 -2.57 0.03 0.00 1.11 0.00 0.00 32.58 31.18 1b8q s HIS 86 CO 0.10 -1.33 0.37 0.54 -0.85 0.00 0.00 174.74 173.57 1b8q s VAL 87 N -2.85 0.03 0.23 -0.90 0.11 0.52 -4.70 120.40 112.84 1b8q s VAL 87 Ca 0.63 -0.25 0.05 0.00 -2.93 0.00 0.00 61.98 59.48 1b8q s VAL 87 Cb -0.06 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1b8q s VAL 87 CO 0.41 -0.14 0.30 -0.69 -3.33 0.00 0.00 175.10 171.65 1b8q s VAL 88 N -0.70 5.00 0.21 2.04 1.01 -1.24 0.98 120.40 127.70 1b8q s VAL 88 Ca -0.08 -1.08 -0.17 0.00 0.00 0.00 0.00 61.98 60.65 1b8q s VAL 88 Cb -0.04 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1b8q s VAL 88 CO 0.03 -0.30 0.52 -0.76 0.00 0.00 0.00 175.10 174.59 1b8q s LEU 89 N -3.83 0.12 -0.05 3.92 1.43 0.26 0.22 118.68 120.74 1b8q s LEU 89 Ca 0.34 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1b8q s LEU 89 Cb -0.09 2.10 0.02 0.00 0.03 0.00 0.00 46.19 48.25 1b8q s LEU 89 CO 0.28 -1.08 -0.07 -0.63 0.23 0.00 0.00 176.35 175.07 1b8q s ILE 90 N -3.90 0.73 0.48 -0.59 -1.09 -0.93 0.16 121.20 116.05 1b8q s ILE 90 Ca 0.11 -0.25 0.04 0.00 -2.23 0.00 0.00 60.65 58.33 1b8q s ILE 90 Cb -0.01 -0.71 -0.02 0.00 -1.58 0.00 0.00 42.46 40.14 1b8q s ILE 90 CO -0.00 0.26 0.13 -0.76 -1.23 0.00 0.00 174.94 173.34 1b8q s LEU 91 N 0.77 2.64 0.18 2.97 1.43 0.10 -2.56 118.68 124.21 1b8q s LEU 91 Ca -0.12 -1.40 -0.01 0.00 -1.03 0.00 0.00 54.13 51.56 1b8q s LEU 91 Cb -0.15 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 1b8q s LEU 91 CO 0.01 -0.78 0.11 0.00 0.23 0.00 0.00 176.35 175.93 1b8q s ARG 92 N -3.94 1.11 0.24 1.70 3.03 -1.26 -2.12 118.95 117.71 1b8q s ARG 92 Ca 0.24 -1.56 0.06 0.00 2.03 0.00 0.00 55.73 56.49 1b8q s ARG 92 Cb 0.03 0.26 -0.03 0.00 -1.03 0.00 0.00 34.95 34.18 1b8q s ARG 92 CO 0.13 -0.35 0.28 0.20 -1.13 0.00 0.00 175.30 174.43 1b8q s GLY 93 N -3.12 1.32 0.00 3.88 0.00 -1.26 -4.90 107.32 103.24 1b8q s GLY 93 Ca 0.34 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1b8q s GLY 93 CO 0.09 -1.34 0.00 -1.05 0.00 0.00 0.00 173.10 170.80 1b8q n PRO 94 N -1.27 1.64 -3.10 2.90 -0.02 -0.98 -4.82 135.00 129.35 1b8q n PRO 94 Ca -0.08 0.00 -0.45 0.00 -2.02 0.00 0.00 63.50 60.95 1b8q n PRO 94 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.02 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 3.40 0.00 -0.52 2.02 -1.26 -3.82 118.70 118.52 1b8q s GLU 95 Ca 0.00 -1.80 0.00 0.00 0.02 0.00 0.00 54.97 53.19 1b8q s GLU 95 Cb 0.00 -4.54 0.00 0.00 0.10 0.00 0.00 34.13 29.69 1b8q s GLU 95 CO 0.00 -1.56 0.00 0.41 0.02 0.00 0.00 175.26 174.13 1b8q n GLY 96 N 4.97 1.02 2.80 -1.39 0.00 -1.26 -5.04 105.19 106.30 1b8q n GLY 96 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1b8q n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b8q s PHE 97 N -2.00 0.31 0.75 1.61 0.40 -1.25 -1.76 117.98 116.05 1b8q s PHE 97 Ca 0.00 0.01 -0.06 0.00 -0.60 0.00 0.00 56.93 56.28 1b8q s PHE 97 Cb 0.00 -0.44 0.12 0.00 0.51 0.00 0.00 43.02 43.21 1b8q s PHE 97 CO 0.00 -0.15 1.05 0.99 0.70 0.00 0.00 175.22 177.82 1b8q s THR 98 N 1.17 2.19 -0.47 0.64 2.01 0.38 -2.32 115.64 119.24 1b8q s THR 98 Ca -0.08 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.58 1b8q s THR 98 Cb -0.13 -2.81 0.12 0.00 0.01 0.00 0.00 72.50 69.69 1b8q s THR 98 CO -0.02 0.00 0.22 0.42 -0.69 0.00 0.00 174.62 174.54 1b8q s THR 99 N -3.30 2.34 0.95 -0.82 -4.23 -1.26 -0.35 115.64 108.97 1b8q s THR 99 Ca 0.65 -3.01 -0.15 0.00 -1.18 0.00 0.00 61.69 58.00 1b8q s THR 99 Cb -0.07 -2.65 0.18 0.00 1.34 0.00 0.00 72.50 71.30 1b8q s THR 99 CO 0.46 -0.77 1.28 -2.28 -0.54 0.00 0.00 174.62 172.76 1b8q s HIS 100 N 0.05 1.82 0.45 3.99 2.46 0.30 -4.77 115.29 119.58 1b8q s HIS 100 Ca 0.16 0.42 0.01 0.00 0.47 0.00 0.00 55.06 56.12 1b8q s HIS 100 Cb -0.24 -3.95 -0.00 0.00 -0.13 0.00 0.00 32.58 28.26 1b8q s HIS 100 CO -0.02 -2.55 0.03 1.47 -2.47 0.00 0.00 174.74 171.20 1b8q n LEU 101 N -3.74 0.00 -1.32 8.88 -0.00 -1.26 -2.35 117.00 117.21 1b8q n LEU 101 Ca 0.13 -2.94 -0.05 0.00 -0.00 0.00 0.00 56.01 53.16 1b8q n LEU 101 Cb 0.60 0.47 -0.03 0.00 -0.00 0.00 0.00 43.42 44.46 1b8q n LEU 101 CO 0.48 -0.42 0.35 1.21 -0.00 0.00 0.00 177.39 179.01 1b8q n GLU 102 N -1.10 0.22 -3.01 1.47 2.13 -1.26 -4.96 120.64 114.13 1b8q n GLU 102 Ca -0.16 -1.19 -0.09 0.00 0.66 0.00 0.00 57.16 56.38 1b8q n GLU 102 Cb 0.59 0.39 -0.03 0.00 0.27 0.00 0.00 31.44 32.66 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 -0.17 0.00 -3.49 6.31 5.66 -1.26 -5.14 114.28 116.18 1b8q n THR 103 Ca -0.22 -1.11 -0.38 0.00 -3.05 0.00 0.00 64.05 59.29 1b8q n THR 103 Cb 0.78 0.56 -0.06 0.00 -1.55 0.00 0.00 70.33 70.06 1b8q n THR 103 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1b8q s THR 104 N -2.63 5.02 1.03 1.09 -4.23 -1.26 -5.08 115.64 109.58 1b8q s THR 104 Ca 0.18 0.83 -0.17 0.00 -1.18 0.00 0.00 61.69 61.36 1b8q s THR 104 Cb 0.01 -3.72 0.22 0.00 1.34 0.00 0.00 72.50 70.35 1b8q s THR 104 CO 0.13 0.56 1.24 -0.36 -0.54 0.00 0.00 174.62 175.64 1b8q s PHE 105 N -1.11 1.37 -0.02 3.99 0.08 -1.26 -4.86 117.98 116.19 1b8q s PHE 105 Ca 0.25 0.43 -0.02 0.00 0.12 0.00 0.00 56.93 57.71 1b8q s PHE 105 Cb -0.17 -3.83 -0.01 0.00 -0.57 0.00 0.00 43.02 38.44 1b8q s PHE 105 CO 0.14 -2.98 0.21 1.15 -0.10 0.00 0.00 175.22 173.64 1b8q h THR 106 N -1.90 0.00 -0.23 0.64 2.02 -1.80 -3.40 112.91 108.24 1b8q h THR 106 Ca -0.45 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 66.44 1b8q h THR 106 Cb 1.26 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 1b8q h THR 106 CO 0.40 0.00 -0.18 0.61 0.37 0.00 0.00 175.52 176.72 1b8q n GLY 107 N 1.37 4.89 2.44 2.16 0.00 -1.26 -4.93 105.19 109.85 1b8q n GLY 107 Ca -0.01 -1.23 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.09 -5.75 -0.39 1.61 8.00 -1.26 -4.78 116.55 112.89 1b8q n ASP 108 Ca 0.27 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1b8q n ASP 108 Cb 0.91 -4.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.16 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 -0.88 0.57 3.63 0.44 0.00 -1.26 -4.52 105.19 103.17 1b8q n GLY 109 Ca -0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 1b8q n GLY 109 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1b8q s THR 110 N 0.00 0.00 1.23 2.61 -1.32 -1.26 -2.71 115.64 114.19 1b8q s THR 110 Ca 0.00 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.30 1b8q s THR 110 Cb 0.00 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.25 1b8q s THR 110 CO 0.00 0.00 0.59 -2.65 -2.21 0.00 0.00 174.62 170.35 1b8q n PRO 111 N 2.45 -3.29 0.00 7.08 -0.02 -1.26 -3.77 135.00 136.19 1b8q n PRO 111 Ca -0.13 -0.97 0.00 0.00 -2.02 0.00 0.00 63.50 60.38 1b8q n PRO 111 Cb 0.55 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1b8q n PRO 111 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1b8q n LYS 112 N -3.78 0.00 -1.67 -0.52 0.00 -1.26 -4.55 118.16 106.37 1b8q n LYS 112 Ca 0.08 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.23 1b8q n LYS 112 Cb 0.50 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 35.46 1b8q n LYS 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1b8q s THR 113 N -0.72 3.10 -0.03 0.58 2.01 -1.26 -4.53 115.64 114.79 1b8q s THR 113 Ca 0.00 -0.11 0.04 0.00 0.31 0.00 0.00 61.69 61.94 1b8q s THR 113 Cb 0.00 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1b8q s THR 113 CO 0.00 -0.21 -0.14 -0.51 -0.69 0.00 0.00 174.62 173.07 1b8q s ILE 114 N 14.31 3.05 -0.37 1.82 -1.16 -1.26 -4.82 121.20 132.76 1b8q s ILE 114 Ca 0.86 -0.79 0.06 0.00 -0.51 0.00 0.00 60.65 60.27 1b8q s ILE 114 Cb -0.10 -2.21 0.19 0.00 0.61 0.00 0.00 42.46 40.94 1b8q s ILE 114 CO 0.08 0.55 0.66 0.00 -2.81 0.00 0.00 174.94 173.42 1b8q s ARG 115 N -0.86 0.70 -0.30 3.50 1.70 -1.25 -4.82 118.95 117.62 1b8q s ARG 115 Ca 0.12 -0.05 0.00 0.00 -0.47 0.00 0.00 55.73 55.33 1b8q s ARG 115 Cb -0.11 0.13 0.19 0.00 -0.57 0.00 0.00 34.95 34.59 1b8q s ARG 115 CO 0.01 -1.07 0.60 0.08 -1.08 0.00 0.00 175.30 173.85 1b8q s VAL 116 N 2.11 -0.99 0.20 4.99 1.01 -0.99 -4.93 120.40 121.79 1b8q s VAL 116 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 1b8q s VAL 116 Cb -0.05 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.25 1b8q s VAL 116 CO -0.12 0.00 0.96 -0.89 0.00 0.00 0.00 175.10 175.05 1b8q s THR 117 N 2.85 4.15 0.06 3.92 2.01 -1.26 0.11 115.64 127.49 1b8q s THR 117 Ca 0.18 2.02 -0.09 0.00 0.31 0.00 0.00 61.69 64.12 1b8q s THR 117 Cb -0.14 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.08 1b8q s THR 117 CO -0.22 0.42 0.19 0.00 -0.69 0.00 0.00 174.62 174.32 1b8q s GLN 118 N -0.80 0.76 -0.45 4.92 -2.07 0.52 -4.86 119.66 117.68 1b8q s GLN 118 Ca 0.43 -0.79 -0.28 0.00 -1.82 0.00 0.00 55.36 52.91 1b8q s GLN 118 Cb -0.26 0.31 -0.02 0.00 -1.09 0.00 0.00 33.01 31.95 1b8q s GLN 118 CO 0.32 -0.23 1.79 -1.25 -1.32 0.00 0.00 175.29 174.61 1b8q s PRO 119 N -3.17 3.07 -0.10 9.60 0.04 -1.26 0.14 135.00 143.32 1b8q s PRO 119 Ca -0.00 1.07 -0.05 0.00 0.04 0.00 0.00 61.00 62.06 1b8q s PRO 119 Cb 0.02 -4.26 -0.26 0.00 0.04 0.00 0.00 34.50 30.03 1b8q s PRO 119 CO -0.07 -2.18 0.45 1.37 0.04 0.00 0.00 177.00 176.60 1b8q h LEU 120 N 14.68 0.39 -2.65 -3.56 8.10 -1.64 -3.44 115.31 127.18 1b8q h LEU 120 Ca -0.30 -0.83 0.00 0.00 0.11 0.00 0.00 57.88 56.86 1b8q h LEU 120 Cb 1.16 -0.13 -0.03 0.00 -0.44 0.00 0.00 40.66 41.22 1b8q h LEU 120 CO 1.11 1.74 -0.93 0.61 -4.11 0.00 0.00 178.44 176.86 1b8q n GLY 121 N 1.92 -2.50 3.51 0.17 0.00 -1.18 -4.88 105.19 102.23 1b8q n GLY 121 Ca -0.29 0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 1b8q n GLY 121 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1b8q n PRO 122 N 1.49 0.37 -1.69 1.61 -0.02 -1.26 -4.74 135.00 130.75 1b8q n PRO 122 Ca -0.10 0.17 -0.20 0.00 -2.02 0.00 0.00 63.50 61.35 1b8q n PRO 122 Cb 0.29 -1.94 -0.10 0.00 -0.02 0.00 0.00 33.50 31.73 1b8q n PRO 122 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1b8q n PRO 123 N -1.04 0.59 -3.20 0.52 -0.04 -1.26 -4.73 135.00 125.84 1b8q n PRO 123 Ca 0.11 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.64 1b8q n PRO 123 Cb 0.50 -3.83 0.01 0.00 -0.04 0.00 0.00 33.50 30.14 1b8q n PRO 123 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1b8q n THR 124 N 8.61 0.00 -3.05 0.52 5.66 -1.26 -5.05 114.28 119.71 1b8q n THR 124 Ca 0.43 -0.23 -0.13 0.00 -3.05 0.00 0.00 64.05 61.06 1b8q n THR 124 Cb 0.47 0.45 0.06 0.00 -1.55 0.00 0.00 70.33 69.76 1b8q n THR 124 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1b8q n LYS 125 N -0.56 -2.16 -0.25 1.09 4.81 -1.26 -4.91 118.16 114.92 1b8q n LYS 125 Ca 0.01 0.76 0.05 0.00 -0.87 0.00 0.00 58.31 58.26 1b8q n LYS 125 Cb 0.39 -5.32 0.17 0.00 0.02 0.00 0.00 35.03 30.29 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 -3.05 2.64 -1.42 3.14 0.00 -1.26 -5.19 120.51 115.36 1b8q n ALA 126 Ca -0.07 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1b8q n ALA 126 Cb 0.61 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1b8q n ALA 126 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83