#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 0.41 -2.76 1.61 7.64 -1.26 -5.00 113.62 114.26 1b8q n SER 2 Ca 0.00 -2.09 -0.03 0.00 1.01 0.00 0.00 58.87 57.76 1b8q n SER 2 Cb 0.00 -0.04 0.02 0.00 -1.01 0.00 0.00 64.21 63.17 1b8q n SER 2 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1b8q s HIS 3 N -2.13 -1.11 -0.92 1.43 5.65 -1.26 -5.08 115.29 111.88 1b8q s HIS 3 Ca 0.20 -0.32 -0.02 0.00 0.25 0.00 0.00 55.06 55.18 1b8q s HIS 3 Cb 0.36 0.22 0.23 0.00 -1.18 0.00 0.00 32.58 32.21 1b8q s HIS 3 CO -0.08 -0.86 0.84 -0.12 -0.65 0.00 0.00 174.74 173.88 1b8q n MET 4 N 2.97 2.79 -1.88 2.88 0.00 -1.26 -4.73 117.12 117.88 1b8q n MET 4 Ca 0.15 -4.49 -0.00 0.00 -0.00 0.00 0.00 57.70 53.35 1b8q n MET 4 Cb 0.60 -2.42 0.02 0.00 0.00 0.00 0.00 33.22 31.42 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 2.24 0.30 0.11 1.12 3.06 -1.26 -4.40 119.36 120.53 1b8q n ILE 5 Ca 0.22 -1.23 0.00 0.00 -2.50 0.00 0.00 62.75 59.25 1b8q n ILE 5 Cb 0.37 0.96 0.00 0.00 0.54 0.00 0.00 39.64 41.51 1b8q n ILE 5 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1b8q n GLU 6 N -0.18 0.00 -1.53 9.51 1.02 -1.26 -5.06 120.64 123.14 1b8q n GLU 6 Ca -0.05 0.00 -0.52 0.00 -0.02 0.00 0.00 57.16 56.57 1b8q n GLU 6 Cb 0.92 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 32.27 1b8q n GLU 6 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1b8q n PRO 7 N -2.94 1.24 0.00 3.49 -0.04 -1.26 -4.74 135.00 130.75 1b8q n PRO 7 Ca 0.00 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1b8q n PRO 7 Cb 0.00 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 1b8q n PRO 7 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1b8q n ASN 8 N 8.51 0.00 -4.60 3.54 0.23 -1.23 -4.60 115.26 117.11 1b8q n ASN 8 Ca 0.36 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.98 1b8q n ASN 8 Cb 0.22 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.90 1b8q n ASN 8 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1b8q s VAL 9 N 0.00 4.16 0.00 3.53 0.11 -1.26 -3.24 120.40 123.71 1b8q s VAL 9 Ca 0.00 1.16 0.00 0.00 -2.93 0.00 0.00 61.98 60.21 1b8q s VAL 9 Cb 0.00 -4.61 0.00 0.00 -1.53 0.00 0.00 36.38 30.24 1b8q s VAL 9 CO 0.00 -1.05 0.00 0.00 -3.33 0.00 0.00 175.10 170.72 1b8q n ILE 10 N 6.85 0.00 -2.25 7.04 0.13 -0.96 -4.81 119.36 125.36 1b8q n ILE 10 Ca 0.12 0.00 -0.27 0.00 -1.10 0.00 0.00 62.75 61.49 1b8q n ILE 10 Cb 0.49 0.00 0.04 0.00 -0.84 0.00 0.00 39.64 39.33 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 0.15 5.47 0.07 9.51 1.04 -1.26 -1.43 113.70 127.25 1b8q s SER 11 Ca 0.00 0.79 -0.22 0.00 0.48 0.00 0.00 55.95 57.00 1b8q s SER 11 Cb 0.00 -1.70 0.05 0.00 0.10 0.00 0.00 66.02 64.48 1b8q s SER 11 CO 0.00 -1.19 0.52 -0.69 0.98 0.00 0.00 173.24 172.86 1b8q s VAL 12 N -3.11 0.03 -0.00 5.02 1.01 0.46 -4.67 120.40 119.13 1b8q s VAL 12 Ca 0.56 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 1b8q s VAL 12 Cb -0.11 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1b8q s VAL 12 CO 0.47 -0.13 0.01 -0.60 0.00 0.00 0.00 175.10 174.85 1b8q s ARG 13 N -2.80 0.03 0.31 2.72 6.06 -1.26 0.13 118.95 124.14 1b8q s ARG 13 Ca -0.03 -0.00 0.04 0.00 -2.50 0.00 0.00 55.73 53.23 1b8q s ARG 13 Cb -0.00 0.01 -0.02 0.00 0.06 0.00 0.00 34.95 34.99 1b8q s ARG 13 CO -0.05 -0.00 0.30 -0.51 -2.50 0.00 0.00 175.30 172.54 1b8q s LEU 14 N -0.05 1.50 0.11 -0.88 1.02 0.15 -4.95 118.68 115.58 1b8q s LEU 14 Ca -0.01 -1.64 0.09 0.00 0.02 0.00 0.00 54.13 52.59 1b8q s LEU 14 Cb -0.00 0.74 -0.04 0.00 0.02 0.00 0.00 46.19 46.91 1b8q s LEU 14 CO -0.00 -1.09 -0.23 0.12 0.02 0.00 0.00 176.35 175.17 1b8q s PHE 15 N -3.46 2.00 -0.14 0.29 2.19 -1.26 0.17 117.98 117.77 1b8q s PHE 15 Ca 0.38 -0.40 0.01 0.00 0.33 0.00 0.00 56.93 57.25 1b8q s PHE 15 Cb 0.02 -1.10 0.14 0.00 -1.31 0.00 0.00 43.02 40.78 1b8q s PHE 15 CO 0.24 0.26 1.17 1.63 1.83 0.00 0.00 175.22 180.34 1b8q n LYS 16 N 1.04 1.30 -2.84 10.12 5.02 -1.07 -3.67 118.16 128.05 1b8q n LYS 16 Ca -0.19 -0.63 -0.09 0.00 -2.02 0.00 0.00 58.31 55.38 1b8q n LYS 16 Cb 0.53 -1.27 -0.01 0.00 -0.02 0.00 0.00 35.03 34.26 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 0.15 -2.61 -1.69 1.97 5.12 -1.26 0.14 116.66 118.49 1b8q n ARG 17 Ca 0.12 0.12 -0.04 0.00 -1.93 0.00 0.00 57.85 56.12 1b8q n ARG 17 Cb 0.73 -4.66 -0.01 0.00 -1.16 0.00 0.00 32.46 27.36 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 -2.84 -1.78 -1.14 5.56 0.00 -1.26 -4.45 118.16 112.25 1b8q n LYS 18 Ca -0.00 0.23 -0.05 0.00 -0.00 0.00 0.00 58.31 58.49 1b8q n LYS 18 Cb 0.51 -4.50 -0.03 0.00 -0.00 0.00 0.00 35.03 31.01 1b8q n LYS 18 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1b8q n VAL 19 N -1.92 0.00 -3.52 0.58 0.24 0.46 -4.38 118.33 109.80 1b8q n VAL 19 Ca -0.05 -0.13 -0.20 0.00 -2.04 0.00 0.00 64.34 61.92 1b8q n VAL 19 Cb 0.31 0.48 0.02 0.00 -1.47 0.00 0.00 33.84 33.17 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 -0.20 -1.16 2.51 7.63 0.00 0.38 -4.97 105.19 109.38 1b8q n GLY 20 Ca -0.21 0.51 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.69 1.32 0.36 -0.02 0.00 -0.60 -4.95 105.19 99.62 1b8q n GLY 21 Ca -0.13 -0.59 0.17 0.00 0.00 0.00 0.00 46.02 45.47 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 3.83 0.00 0.00 0.99 4.07 -1.80 -3.35 115.31 119.05 1b8q h LEU 22 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1b8q h LEU 22 Cb 0.98 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.72 1b8q h LEU 22 CO 0.37 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.34 1b8q n GLY 23 N -1.34 1.21 3.60 0.83 0.00 -1.26 0.17 105.19 108.40 1b8q n GLY 23 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 0.87 1.61 -0.71 -1.26 -1.16 117.98 114.58 1b8q s PHE 24 Ca 0.00 1.76 -0.13 0.00 -1.04 0.00 0.00 56.93 57.52 1b8q s PHE 24 Cb 0.00 0.29 0.13 0.00 -1.21 0.00 0.00 43.02 42.23 1b8q s PHE 24 CO 0.00 -0.41 1.23 -0.51 -1.34 0.00 0.00 175.22 174.18 1b8q s LEU 25 N 0.10 2.52 -0.04 -1.99 1.43 0.14 -4.80 118.68 116.05 1b8q s LEU 25 Ca -0.02 0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 53.49 1b8q s LEU 25 Cb -0.04 -2.93 0.04 0.00 0.03 0.00 0.00 46.19 43.29 1b8q s LEU 25 CO 0.03 -2.25 0.44 0.68 0.23 0.00 0.00 176.35 175.48 1b8q s VAL 26 N -3.66 0.03 -0.23 -1.59 -7.23 -1.26 -2.24 120.40 104.21 1b8q s VAL 26 Ca 0.66 -0.28 -0.03 0.00 -1.81 0.00 0.00 61.98 60.53 1b8q s VAL 26 Cb -0.09 -0.74 0.07 0.00 0.56 0.00 0.00 36.38 36.19 1b8q s VAL 26 CO 0.51 -0.15 0.07 -1.59 -0.31 0.00 0.00 175.10 173.62 1b8q s LYS 27 N -1.12 0.54 -0.37 4.82 -2.85 0.22 -4.81 119.74 116.17 1b8q s LYS 27 Ca -0.11 -0.55 -0.11 0.00 -1.00 0.00 0.00 55.97 54.19 1b8q s LYS 27 Cb -0.03 -1.91 0.02 0.00 -2.06 0.00 0.00 37.83 33.84 1b8q s LYS 27 CO 0.06 -0.78 0.21 -2.00 0.10 0.00 0.00 175.35 172.94 1b8q s GLU 28 N 1.87 2.97 -0.19 1.78 -6.30 -1.26 -2.14 118.70 115.43 1b8q s GLU 28 Ca 0.03 -0.98 -0.29 0.00 -2.50 0.00 0.00 54.97 51.23 1b8q s GLU 28 Cb -0.17 -3.74 -0.03 0.00 0.00 0.00 0.00 34.13 30.19 1b8q s GLU 28 CO -0.16 -0.64 1.54 1.03 0.02 0.00 0.00 175.26 177.04 1b8q s ARG 29 N 1.59 3.94 0.61 4.30 0.52 -1.26 -4.76 118.95 123.89 1b8q s ARG 29 Ca 0.03 1.71 0.26 0.00 -0.52 0.00 0.00 55.73 57.21 1b8q s ARG 29 Cb -0.19 -3.97 1.08 0.00 0.52 0.00 0.00 34.95 32.40 1b8q s ARG 29 CO 0.07 -1.11 1.51 0.28 0.02 0.00 0.00 175.30 176.07 1b8q h VAL 30 N 5.93 0.11 -1.67 3.52 2.07 -1.94 -2.86 116.25 121.42 1b8q h VAL 30 Ca -0.33 0.00 -0.47 0.00 0.82 0.00 0.00 66.70 66.72 1b8q h VAL 30 Cb 1.14 0.24 -0.32 0.00 -1.52 0.00 0.00 31.29 30.84 1b8q h VAL 30 CO 0.99 0.00 -0.91 -0.24 0.02 0.00 0.00 177.57 177.43 1b8q n SER 31 N -3.32 -0.86 -3.79 0.57 2.88 -1.26 -4.99 113.62 102.85 1b8q n SER 31 Ca 0.15 -2.73 0.03 0.00 -1.33 0.00 0.00 58.87 54.99 1b8q n SER 31 Cb 1.14 0.02 0.01 0.00 -0.75 0.00 0.00 64.21 64.63 1b8q n SER 31 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1b8q s LYS 32 N -0.35 0.30 0.96 -1.46 1.02 -1.08 -5.17 119.74 113.97 1b8q s LYS 32 Ca 0.34 -0.19 -0.19 0.00 0.02 0.00 0.00 55.97 55.94 1b8q s LYS 32 Cb 0.13 0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.50 1b8q s LYS 32 CO -0.15 -0.14 -0.63 -2.30 -0.92 0.00 0.00 175.35 171.21 1b8q n PRO 33 N -0.80 -0.80 -0.79 -1.68 -0.02 -1.26 -4.78 135.00 124.87 1b8q n PRO 33 Ca 0.00 -0.23 -0.24 0.00 -2.02 0.00 0.00 63.50 61.01 1b8q n PRO 33 Cb 0.60 -1.26 0.07 0.00 -0.02 0.00 0.00 33.50 32.89 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 0.52 -0.72 -2.53 0.52 -0.02 -1.16 -4.53 135.00 127.08 1b8q n PRO 34 Ca 0.00 -0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 60.94 1b8q n PRO 34 Cb 0.55 -1.21 -0.04 0.00 -0.02 0.00 0.00 33.50 32.78 1b8q n PRO 34 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1b8q s VAL 35 N -2.05 4.26 0.17 -1.45 0.11 -1.02 -4.65 120.40 115.76 1b8q s VAL 35 Ca 0.31 1.25 0.02 0.00 -2.93 0.00 0.00 61.98 60.63 1b8q s VAL 35 Cb 0.01 -3.59 -0.05 0.00 -1.53 0.00 0.00 36.38 31.23 1b8q s VAL 35 CO 0.44 -0.46 -0.02 -0.51 -3.33 0.00 0.00 175.10 171.22 1b8q s ILE 36 N -2.33 0.80 0.30 7.04 1.10 -0.91 -4.20 121.20 123.00 1b8q s ILE 36 Ca 0.62 -2.00 -0.22 0.00 -0.51 0.00 0.00 60.65 58.55 1b8q s ILE 36 Cb -0.11 -2.09 -0.09 0.00 0.15 0.00 0.00 42.46 40.32 1b8q s ILE 36 CO 0.23 -0.52 0.84 -0.63 -2.11 0.00 0.00 174.94 172.76 1b8q s ILE 37 N -3.57 4.42 -0.13 2.00 1.01 -1.26 0.72 121.20 124.39 1b8q s ILE 37 Ca 0.23 1.48 0.03 0.00 0.00 0.00 0.00 60.65 62.38 1b8q s ILE 37 Cb 0.05 -3.85 -0.10 0.00 0.01 0.00 0.00 42.46 38.58 1b8q s ILE 37 CO 0.04 0.06 -0.09 -0.24 0.00 0.00 0.00 174.94 174.71 1b8q n SER 38 N 0.34 2.84 -3.64 3.58 2.88 -0.95 0.36 113.62 119.03 1b8q n SER 38 Ca 0.01 -0.06 -0.05 0.00 -1.33 0.00 0.00 58.87 57.44 1b8q n SER 38 Cb 0.51 -0.04 -0.07 0.00 -0.75 0.00 0.00 64.21 63.87 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 -5.13 -0.40 -1.10 -3.46 -1.08 -1.26 -4.62 116.67 99.62 1b8q s ASP 39 Ca -0.16 0.70 -0.23 0.00 -0.52 0.00 0.00 52.55 52.35 1b8q s ASP 39 Cb 0.04 0.92 -0.04 0.00 -1.46 0.00 0.00 42.92 42.38 1b8q s ASP 39 CO 0.34 -0.12 1.87 -0.76 0.52 0.00 0.00 175.17 177.02 1b8q s LEU 40 N 0.70 3.22 0.17 -1.34 1.43 -1.26 0.29 118.68 121.89 1b8q s LEU 40 Ca -0.02 -1.44 -0.29 0.00 -1.03 0.00 0.00 54.13 51.35 1b8q s LEU 40 Cb -0.04 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 1b8q s LEU 40 CO -0.11 -2.60 1.53 0.00 0.23 0.00 0.00 176.35 175.40 1b8q n ILE 41 N 7.57 -0.65 -0.04 -0.59 0.13 -0.31 -4.00 119.36 121.47 1b8q n ILE 41 Ca 0.43 2.40 -0.03 0.00 -1.10 0.00 0.00 62.75 64.44 1b8q n ILE 41 Cb 0.47 -2.99 -0.01 0.00 -0.84 0.00 0.00 39.64 36.27 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 -5.28 0.25 0.00 9.51 3.00 -1.23 -4.98 116.66 117.93 1b8q n ARG 42 Ca 0.03 0.30 0.00 0.00 -0.00 0.00 0.00 57.85 58.18 1b8q n ARG 42 Cb 0.28 -1.15 0.00 0.00 0.00 0.00 0.00 32.46 31.59 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 1.61 1.50 0.00 5.14 0.00 -1.26 -5.00 105.19 107.19 1b8q n GLY 43 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.28 0.00 0.00 -0.02 0.00 -1.26 -4.30 105.19 98.33 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 -1.70 0.00 0.36 4.61 0.00 -1.26 -4.04 120.51 118.49 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 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.01 -0.69 0.00 0.00 -0.56 -1.79 119.26 113.21 1b8q h ALA 46 Ca 0.00 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.86 1b8q h ALA 46 Cb 0.00 0.50 -0.12 0.00 0.00 0.00 0.00 17.79 18.17 1b8q h ALA 46 CO 0.00 -1.09 0.04 1.49 0.00 0.00 0.00 179.25 179.69 1b8q h GLU 47 N -0.98 0.14 -0.49 0.00 4.81 -1.80 0.71 114.58 116.96 1b8q h GLU 47 Ca -0.08 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1b8q h GLU 47 Cb 0.80 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1b8q h GLU 47 CO 0.08 0.09 0.33 0.37 -0.73 0.00 0.00 179.01 179.15 1b8q h GLN 48 N 0.14 0.34 0.07 1.92 5.75 -1.64 -1.69 115.11 120.00 1b8q h GLN 48 Ca 0.37 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.86 1b8q h GLN 48 Cb 0.63 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 1b8q h GLN 48 CO -0.58 0.23 -0.13 1.03 -2.65 0.00 0.00 178.83 176.73 1b8q h SER 49 N 0.35 -0.37 0.00 -0.69 0.87 0.13 -3.47 113.55 110.37 1b8q h SER 49 Ca 0.22 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1b8q h SER 49 Cb 0.41 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1b8q h SER 49 CO -0.05 -0.20 0.00 0.61 -0.53 0.00 0.00 176.83 176.66 1b8q n GLY 50 N -1.26 1.35 0.65 5.77 0.00 -0.64 -4.62 105.19 106.45 1b8q n GLY 50 Ca -0.06 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 2.13 -4.45 0.99 -0.00 -1.26 -4.39 117.00 110.02 1b8q n LEU 51 Ca 0.00 -0.71 -0.37 0.00 -0.00 0.00 0.00 56.01 54.92 1b8q n LEU 51 Cb 0.00 -0.02 -0.12 0.00 -0.00 0.00 0.00 43.42 43.28 1b8q n LEU 51 CO 0.00 0.36 -0.25 -0.63 -0.00 0.00 0.00 177.39 176.88 1b8q s ILE 52 N -2.15 4.45 0.11 1.47 1.09 -1.26 -4.67 121.20 120.24 1b8q s ILE 52 Ca 0.29 -0.25 -0.06 0.00 -1.10 0.00 0.00 60.65 59.53 1b8q s ILE 52 Cb 0.20 -3.16 -0.02 0.00 -1.06 0.00 0.00 42.46 38.42 1b8q s ILE 52 CO 0.39 0.23 0.15 -1.10 -0.10 0.00 0.00 174.94 174.51 1b8q s GLN 53 N 1.62 0.90 0.02 2.79 -0.21 -1.26 -4.12 119.66 119.40 1b8q s GLN 53 Ca 0.06 -1.16 -0.30 0.00 0.02 0.00 0.00 55.36 53.97 1b8q s GLN 53 Cb -0.16 0.31 -0.06 0.00 1.00 0.00 0.00 33.01 34.10 1b8q s GLN 53 CO 0.05 -0.28 1.33 0.00 -2.12 0.00 0.00 175.29 174.27 1b8q s ALA 54 N -3.94 3.54 -0.19 6.09 0.00 -1.26 -2.18 121.76 123.82 1b8q s ALA 54 Ca 0.12 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1b8q s ALA 54 Cb 0.06 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1b8q s ALA 54 CO -0.05 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.35 1b8q n GLY 55 N 3.50 0.44 0.00 0.00 0.00 0.16 -4.91 105.19 104.38 1b8q n GLY 55 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.24 0.00 -3.66 1.61 9.92 -0.93 -4.89 116.55 118.37 1b8q n ASP 56 Ca -0.02 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.17 1b8q n ASP 56 Cb 0.23 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.63 1b8q n ASP 56 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1b8q s ILE 57 N 0.00 -0.36 -0.49 0.53 1.01 -1.26 -4.93 121.20 115.71 1b8q s ILE 57 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.77 1b8q s ILE 57 Cb 0.00 -0.82 0.24 0.00 0.01 0.00 0.00 42.46 41.89 1b8q s ILE 57 CO 0.00 0.03 0.89 0.00 0.00 0.00 0.00 174.94 175.85 1b8q n ILE 58 N 4.78 0.00 -0.02 2.92 0.13 -1.26 -4.72 119.36 121.18 1b8q n ILE 58 Ca -0.17 -1.44 -0.16 0.00 -1.10 0.00 0.00 62.75 59.88 1b8q n ILE 58 Cb 0.54 1.45 -0.13 0.00 -0.84 0.00 0.00 39.64 40.66 1b8q n ILE 58 CO 0.00 0.00 0.00 0.17 2.80 0.00 0.00 176.55 179.52 1b8q h LEU 59 N 4.06 0.20 -8.83 9.51 8.10 -1.65 -3.38 115.31 123.32 1b8q h LEU 59 Ca -0.14 -0.89 -0.64 0.00 0.11 0.00 0.00 57.88 56.33 1b8q h LEU 59 Cb 1.04 -0.06 -0.22 0.00 -0.44 0.00 0.00 40.66 40.98 1b8q h LEU 59 CO 0.29 1.06 -0.85 0.00 -4.11 0.00 0.00 178.44 174.83 1b8q s ALA 60 N -2.68 2.17 0.01 0.17 0.00 -1.05 -3.08 121.76 117.30 1b8q s ALA 60 Ca -0.16 -1.40 -0.00 0.00 0.00 0.00 0.00 51.96 50.40 1b8q s ALA 60 Cb -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 1b8q s ALA 60 CO 0.74 0.47 -0.00 0.08 0.00 0.00 0.00 175.76 177.05 1b8q s VAL 61 N -1.13 0.05 0.00 0.00 1.01 -1.24 -2.19 120.40 116.91 1b8q s VAL 61 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1b8q s VAL 61 Cb -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1b8q s VAL 61 CO 0.05 -0.24 0.00 -0.46 0.00 0.00 0.00 175.10 174.46 1b8q n ASN 62 N 2.35 0.00 -1.41 3.32 0.23 0.42 -0.91 115.26 119.26 1b8q n ASN 62 Ca -0.18 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 53.83 1b8q n ASN 62 Cb 0.58 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 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 1.13 -0.85 -3.89 0.53 5.68 -1.26 -3.53 116.55 114.36 1b8q n ASP 63 Ca 0.00 -1.60 -0.30 0.00 -0.50 0.00 0.00 54.79 52.38 1b8q n ASP 63 Cb 0.00 0.32 -0.15 0.00 -1.14 0.00 0.00 41.12 40.15 1b8q n ASP 63 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b8q s ARG 64 N 0.03 1.31 -0.86 0.11 1.04 -0.09 -5.05 118.95 115.44 1b8q s ARG 64 Ca 0.02 -1.16 -0.25 0.00 -1.04 0.00 0.00 55.73 53.31 1b8q s ARG 64 Cb 0.12 -2.53 -0.17 0.00 -2.04 0.00 0.00 34.95 30.33 1b8q s ARG 64 CO -0.03 -0.77 2.32 -2.30 -0.04 0.00 0.00 175.30 174.47 1b8q n PRO 65 N 4.65 0.41 -1.98 3.89 -0.02 -1.26 -3.66 135.00 137.03 1b8q n PRO 65 Ca -0.06 -1.02 -0.41 0.00 -2.02 0.00 0.00 63.50 59.98 1b8q n PRO 65 Cb 0.43 -3.63 -0.00 0.00 -0.02 0.00 0.00 33.50 30.28 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 18.42 7.37 -0.06 2.45 7.94 -1.18 -4.32 117.00 147.62 1b8q n LEU 66 Ca 0.46 -4.57 -0.11 0.00 -1.11 0.00 0.00 56.01 50.68 1b8q n LEU 66 Cb 0.43 -1.49 -0.05 0.00 0.53 0.00 0.00 43.42 42.83 1b8q n LEU 66 CO 0.57 1.61 -0.92 1.33 -1.11 0.00 0.00 177.39 178.87 1b8q n VAL 67 N 3.29 0.70 -2.22 1.96 0.24 -1.26 -2.45 118.33 118.60 1b8q n VAL 67 Ca 0.54 -0.23 0.02 0.00 -2.04 0.00 0.00 64.34 62.62 1b8q n VAL 67 Cb 0.32 -1.25 0.01 0.00 -1.47 0.00 0.00 33.84 31.45 1b8q n VAL 67 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1b8q n ASP 68 N -3.17 0.44 -5.02 -1.34 5.68 -1.26 -3.00 116.55 108.88 1b8q n ASP 68 Ca -0.23 -1.99 -0.18 0.00 -0.50 0.00 0.00 54.79 51.88 1b8q n ASP 68 Cb 0.71 -0.24 0.04 0.00 -1.14 0.00 0.00 41.12 40.48 1b8q n ASP 68 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 1b8q s LEU 69 N 0.00 3.37 0.03 -2.12 0.05 -1.26 -5.04 118.68 113.71 1b8q s LEU 69 Ca 0.15 -0.63 -0.30 0.00 0.05 0.00 0.00 54.13 53.40 1b8q s LEU 69 Cb 0.17 -2.15 -0.08 0.00 -2.05 0.00 0.00 46.19 42.09 1b8q s LEU 69 CO -0.08 -1.06 1.78 -0.94 -0.55 0.00 0.00 176.35 175.50 1b8q s SER 70 N -4.51 6.55 0.08 1.48 1.04 -1.26 -4.91 113.70 112.16 1b8q s SER 70 Ca 0.59 2.50 -0.33 0.00 0.48 0.00 0.00 55.95 59.19 1b8q s SER 70 Cb -0.08 -2.54 -0.16 0.00 0.10 0.00 0.00 66.02 63.34 1b8q s SER 70 CO 0.36 -0.97 1.51 0.22 0.98 0.00 0.00 173.24 175.34 1b8q h TYR 71 N 9.51 -1.29 -0.52 5.02 3.20 -1.94 0.41 116.97 131.36 1b8q h TYR 71 Ca -0.44 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.53 1b8q h TYR 71 Cb 1.21 0.50 -0.03 0.00 1.54 0.00 0.00 36.73 39.95 1b8q h TYR 71 CO 0.87 -0.62 0.35 0.22 -1.64 0.00 0.00 178.16 177.35 1b8q h ASP 72 N -0.92 0.28 -0.11 -2.11 3.58 -1.93 -0.45 116.42 114.76 1b8q h ASP 72 Ca -0.06 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.33 1b8q h ASP 72 Cb 0.80 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 1b8q h ASP 72 CO -0.06 0.17 -0.19 0.28 -2.88 0.00 0.00 179.24 176.57 1b8q h SER 73 N 0.32 0.36 -0.61 2.28 0.02 -1.81 -1.31 113.55 112.80 1b8q h SER 73 Ca 0.24 -0.54 0.07 0.00 -0.84 0.00 0.00 61.79 60.72 1b8q h SER 73 Cb 0.53 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.90 1b8q h SER 73 CO -0.06 0.83 0.29 0.00 -1.14 0.00 0.00 176.83 176.76 1b8q h ALA 74 N 0.54 0.81 0.00 3.77 0.00 0.84 0.18 119.26 125.40 1b8q h ALA 74 Ca 0.01 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1b8q h ALA 74 Cb 0.76 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1b8q h ALA 74 CO 0.04 -0.08 -0.24 -0.07 0.00 0.00 0.00 179.25 178.91 1b8q h LEU 75 N 0.54 0.00 -0.44 0.00 3.38 -1.07 -2.00 115.31 115.72 1b8q h LEU 75 Ca 0.29 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.08 1b8q h LEU 75 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1b8q h LEU 75 CO -0.23 0.24 -0.65 -0.33 0.09 0.00 0.00 178.44 177.56 1b8q h GLU 76 N 0.00 0.52 -0.37 1.13 5.08 0.43 0.55 114.58 121.92 1b8q h GLU 76 Ca -0.00 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1b8q h GLU 76 Cb 0.43 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1b8q h GLU 76 CO 0.03 0.99 0.22 0.28 -1.00 0.00 0.00 179.01 179.54 1b8q h VAL 77 N 0.38 1.13 0.00 3.13 2.07 -0.08 -2.06 116.25 120.82 1b8q h VAL 77 Ca -0.01 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.06 1b8q h VAL 77 Cb 1.21 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1b8q h VAL 77 CO 0.12 0.13 -0.68 0.17 0.02 0.00 0.00 177.57 177.33 1b8q h LEU 78 N 0.49 0.00 -0.07 2.57 8.10 -1.36 -3.32 115.31 121.71 1b8q h LEU 78 Ca 0.13 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.12 1b8q h LEU 78 Cb 0.01 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.23 1b8q h LEU 78 CO -0.02 0.68 0.04 0.03 -4.11 0.00 0.00 178.44 175.05 1b8q h ARG 79 N 0.00 0.10 -0.17 0.17 -0.00 0.53 -2.18 114.38 112.82 1b8q h ARG 79 Ca -0.01 -0.01 0.05 0.00 -0.50 0.00 0.00 59.98 59.51 1b8q h ARG 79 Cb 1.48 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 31.42 1b8q h ARG 79 CO 0.09 0.15 0.37 0.78 0.00 0.00 0.00 179.97 181.36 1b8q h GLY 80 N 0.02 0.00 -5.83 0.04 0.00 -1.48 -3.42 103.07 92.40 1b8q h GLY 80 Ca 0.02 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.76 1b8q h GLY 80 CO -0.00 0.00 1.18 1.39 0.00 0.00 0.00 176.54 179.11 1b8q n ILE 81 N -3.27 0.59 -0.20 2.60 5.41 -0.82 -4.97 119.36 118.71 1b8q n ILE 81 Ca 0.02 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.62 1b8q n ILE 81 Cb 0.47 -2.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.38 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 7.41 0.00 -2.50 -1.39 0.00 -1.26 -4.86 120.51 117.91 1b8q n ALA 82 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1b8q n ALA 82 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.78 0.00 -3.01 0.00 7.64 -1.26 -4.51 113.62 110.70 1b8q n SER 83 Ca 0.00 -0.94 -0.12 0.00 1.01 0.00 0.00 58.87 58.82 1b8q n SER 83 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 -0.94 -2.46 -4.37 1.43 0.28 -1.26 -4.88 120.64 108.44 1b8q n GLU 84 Ca 0.00 0.09 -0.20 0.00 -0.16 0.00 0.00 57.16 56.90 1b8q n GLU 84 Cb 0.00 -4.63 -0.10 0.00 1.43 0.00 0.00 31.44 28.14 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 1.88 0.61 3.84 -1.32 -1.26 -5.04 115.64 111.98 1b8q s THR 85 Ca 0.21 -2.25 0.05 0.00 -1.21 0.00 0.00 61.69 58.50 1b8q s THR 85 Cb -0.12 -2.09 0.09 0.00 -1.51 0.00 0.00 72.50 68.86 1b8q s THR 85 CO 0.26 -0.56 0.84 -1.00 -2.21 0.00 0.00 174.62 171.95 1b8q s HIS 86 N -2.87 1.74 0.01 9.09 3.76 -1.26 -2.61 115.29 123.15 1b8q s HIS 86 Ca 0.24 -0.48 -0.14 0.00 -0.15 0.00 0.00 55.06 54.53 1b8q s HIS 86 Cb -0.02 -2.54 0.02 0.00 1.11 0.00 0.00 32.58 31.15 1b8q s HIS 86 CO 0.08 -1.24 0.31 0.54 -0.85 0.00 0.00 174.74 173.58 1b8q s VAL 87 N -2.80 0.07 0.32 -0.90 0.11 0.44 -4.69 120.40 112.94 1b8q s VAL 87 Ca 0.62 -0.55 0.08 0.00 -2.93 0.00 0.00 61.98 59.20 1b8q s VAL 87 Cb -0.06 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1b8q s VAL 87 CO 0.40 -0.30 0.17 -0.69 -3.33 0.00 0.00 175.10 171.35 1b8q s VAL 88 N -1.78 3.39 0.21 2.04 1.01 -1.23 0.32 120.40 124.36 1b8q s VAL 88 Ca -0.10 -1.60 -0.21 0.00 0.00 0.00 0.00 61.98 60.07 1b8q s VAL 88 Cb -0.04 -3.07 0.04 0.00 0.00 0.00 0.00 36.38 33.32 1b8q s VAL 88 CO 0.02 -0.23 0.62 -1.48 0.00 0.00 0.00 175.10 174.03 1b8q s LEU 89 N -3.86 -0.32 -0.05 3.92 2.34 0.34 0.16 118.68 121.20 1b8q s LEU 89 Ca 0.37 -0.31 -0.00 0.00 0.06 0.00 0.00 54.13 54.25 1b8q s LEU 89 Cb -0.05 2.54 0.03 0.00 -0.56 0.00 0.00 46.19 48.15 1b8q s LEU 89 CO 0.24 -1.12 -0.01 -0.63 -1.06 0.00 0.00 176.35 173.77 1b8q s ILE 90 N -3.83 0.38 0.55 1.48 -1.09 -0.93 0.17 121.20 117.93 1b8q s ILE 90 Ca 0.06 0.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.53 1b8q s ILE 90 Cb -0.03 -0.48 0.03 0.00 -1.58 0.00 0.00 42.46 40.40 1b8q s ILE 90 CO -0.04 0.22 0.77 -0.76 -1.23 0.00 0.00 174.94 173.90 1b8q s LEU 91 N 1.40 3.28 -0.08 2.97 1.43 -0.51 -2.43 118.68 124.74 1b8q s LEU 91 Ca -0.04 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 1b8q s LEU 91 Cb -0.13 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.25 1b8q s LEU 91 CO -0.03 -1.13 0.30 0.00 0.23 0.00 0.00 176.35 175.72 1b8q s ARG 92 N -4.75 0.48 0.00 1.70 1.04 -1.20 -2.26 118.95 113.95 1b8q s ARG 92 Ca 0.57 0.17 0.00 0.00 -1.04 0.00 0.00 55.73 55.44 1b8q s ARG 92 Cb -0.10 0.22 0.00 0.00 -2.04 0.00 0.00 34.95 33.03 1b8q s ARG 92 CO 0.38 -0.10 0.00 0.41 -0.04 0.00 0.00 175.30 175.96 1b8q n GLY 93 N 2.26 1.12 0.00 3.88 0.00 -1.26 -3.54 105.19 107.65 1b8q n GLY 93 Ca -0.16 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1b8q n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b8q n PRO 94 N 0.00 1.15 -3.76 1.61 -0.04 -1.26 -4.77 135.00 127.94 1b8q n PRO 94 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1b8q n PRO 94 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 1b8q n PRO 94 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1b8q s GLU 95 N -1.06 0.10 0.00 0.54 -1.05 -1.26 -4.47 118.70 111.50 1b8q s GLU 95 Ca 0.00 0.35 0.00 0.00 -0.15 0.00 0.00 54.97 55.17 1b8q s GLU 95 Cb 0.00 -0.15 0.00 0.00 -0.44 0.00 0.00 34.13 33.54 1b8q s GLU 95 CO 0.00 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.47 1b8q n GLY 96 N 4.09 1.35 3.00 -3.83 0.00 -1.26 -4.88 105.19 103.66 1b8q n GLY 96 Ca -0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 1b8q n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b8q s PHE 97 N -2.00 0.53 -0.36 1.61 0.40 -1.26 0.57 117.98 117.47 1b8q s PHE 97 Ca 0.00 -0.27 -0.19 0.00 -0.60 0.00 0.00 56.93 55.88 1b8q s PHE 97 Cb 0.00 -0.33 0.00 0.00 0.51 0.00 0.00 43.02 43.20 1b8q s PHE 97 CO 0.00 -0.04 0.55 0.95 0.70 0.00 0.00 175.22 177.37 1b8q s THR 98 N -0.67 4.98 -0.91 0.64 -4.23 0.22 -4.56 115.64 111.12 1b8q s THR 98 Ca -0.03 0.34 -0.25 0.00 -1.18 0.00 0.00 61.69 60.57 1b8q s THR 98 Cb -0.05 -4.01 0.03 0.00 1.34 0.00 0.00 72.50 69.81 1b8q s THR 98 CO 0.00 -0.28 1.45 0.42 -0.54 0.00 0.00 174.62 175.67 1b8q s THR 99 N 2.48 3.80 0.08 3.99 -4.23 -1.25 0.26 115.64 120.76 1b8q s THR 99 Ca 0.20 -0.32 0.04 0.00 -1.18 0.00 0.00 61.69 60.42 1b8q s THR 99 Cb -0.15 -4.89 -0.04 0.00 1.34 0.00 0.00 72.50 68.76 1b8q s THR 99 CO 0.14 -1.80 0.02 -1.00 -0.54 0.00 0.00 174.62 171.44 1b8q s HIS 100 N 5.76 3.04 0.20 3.99 3.76 0.29 -4.63 115.29 127.70 1b8q s HIS 100 Ca 0.45 0.01 -0.03 0.00 -0.15 0.00 0.00 55.06 55.34 1b8q s HIS 100 Cb -0.04 -1.57 0.05 0.00 1.11 0.00 0.00 32.58 32.13 1b8q s HIS 100 CO -0.00 0.49 0.11 1.47 -0.85 0.00 0.00 174.74 175.95 1b8q n LEU 101 N 0.66 0.00 -0.20 0.89 -0.00 -1.26 -1.50 117.00 115.59 1b8q n LEU 101 Ca -0.11 -0.11 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 1b8q n LEU 101 Cb 0.52 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 1b8q n LEU 101 CO 0.40 -1.57 0.00 1.21 -0.00 0.00 0.00 177.39 177.42 1b8q n GLU 102 N -1.79 0.00 -2.43 1.47 2.13 -1.26 -4.64 120.64 114.12 1b8q n GLU 102 Ca 0.02 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.41 1b8q n GLU 102 Cb 0.07 -3.04 -0.02 0.00 0.27 0.00 0.00 31.44 28.72 1b8q n GLU 102 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1b8q s THR 103 N -2.40 3.90 -2.20 6.31 2.01 -1.26 -4.86 115.64 117.14 1b8q s THR 103 Ca 0.00 0.84 0.20 0.00 0.31 0.00 0.00 61.69 63.04 1b8q s THR 103 Cb 0.00 -4.44 0.48 0.00 0.01 0.00 0.00 72.50 68.56 1b8q s THR 103 CO 0.00 -1.06 1.60 0.41 -0.69 0.00 0.00 174.62 174.88 1b8q n THR 104 N 6.90 0.14 -3.58 -0.82 -1.04 -1.26 -4.98 114.28 109.64 1b8q n THR 104 Ca 0.13 -0.24 -0.31 0.00 -2.04 0.00 0.00 64.05 61.59 1b8q n THR 104 Cb 0.49 0.18 0.02 0.00 -1.82 0.00 0.00 70.33 69.20 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 -0.01 -2.48 0.00 -1.42 -1.74 -1.26 -4.97 117.46 105.58 1b8q n PHE 105 Ca 0.16 1.03 0.00 0.00 -0.56 0.00 0.00 57.45 58.07 1b8q n PHE 105 Cb 0.25 -2.36 0.00 0.00 1.52 0.00 0.00 39.48 38.89 1b8q n PHE 105 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 1b8q n THR 106 N -1.24 0.00 0.00 1.97 -1.04 -1.26 -4.68 114.28 108.02 1b8q n THR 106 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1b8q n THR 106 Cb 0.67 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 1b8q n THR 106 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1b8q n GLY 107 N 2.72 0.51 1.26 3.41 0.00 -1.26 -1.24 105.19 110.59 1b8q n GLY 107 Ca 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 46.02 46.39 1b8q n GLY 107 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b8q n ASP 108 N 2.30 -0.37 0.00 1.61 5.75 -1.26 -5.00 116.55 119.58 1b8q n ASP 108 Ca 0.00 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1b8q n ASP 108 Cb 0.00 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1b8q n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b8q n GLY 109 N 0.07 0.57 2.53 6.12 0.00 -0.37 -5.00 105.19 109.11 1b8q n GLY 109 Ca -0.17 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 2.50 -2.19 2.61 5.66 -1.24 -4.76 114.28 116.86 1b8q n THR 110 Ca 0.00 -4.91 -0.31 0.00 -3.05 0.00 0.00 64.05 55.79 1b8q n THR 110 Cb 0.00 -1.27 -0.04 0.00 -1.55 0.00 0.00 70.33 67.46 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 -3.59 2.84 0.26 1.09 0.04 -1.26 -4.47 135.00 129.91 1b8q s PRO 111 Ca 0.48 -0.58 0.02 0.00 0.04 0.00 0.00 61.00 60.97 1b8q s PRO 111 Cb 0.40 -5.16 -0.04 0.00 0.04 0.00 0.00 34.50 29.74 1b8q s PRO 111 CO -0.21 -3.09 0.15 -1.59 0.04 0.00 0.00 177.00 172.30 1b8q s LYS 112 N 6.42 1.43 -0.00 4.56 0.00 -1.26 -5.06 119.74 125.83 1b8q s LYS 112 Ca 0.64 -1.79 0.17 0.00 0.00 0.00 0.00 55.97 54.98 1b8q s LYS 112 Cb -0.04 0.07 -0.19 0.00 0.00 0.00 0.00 37.83 37.67 1b8q s LYS 112 CO -0.02 -0.43 0.69 2.41 0.00 0.00 0.00 175.35 178.00 1b8q n THR 113 N -0.45 0.00 -1.84 3.79 -1.04 -1.26 -4.87 114.28 108.61 1b8q n THR 113 Ca 0.02 -0.13 -0.31 0.00 -2.04 0.00 0.00 64.05 61.59 1b8q n THR 113 Cb 0.65 0.92 0.02 0.00 -1.82 0.00 0.00 70.33 70.10 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 -2.65 4.20 0.30 12.58 -1.16 -1.26 -4.90 121.20 128.31 1b8q s ILE 114 Ca 0.05 0.82 -0.28 0.00 -0.51 0.00 0.00 60.65 60.73 1b8q s ILE 114 Cb 0.13 -3.54 -0.09 0.00 0.61 0.00 0.00 42.46 39.56 1b8q s ILE 114 CO 0.70 -0.83 1.07 -0.13 -2.81 0.00 0.00 174.94 172.93 1b8q s ARG 115 N -4.75 4.57 0.14 3.50 3.00 -1.26 -4.83 118.95 119.31 1b8q s ARG 115 Ca 0.59 1.70 -0.30 0.00 0.00 0.00 0.00 55.73 57.72 1b8q s ARG 115 Cb -0.13 -3.06 -0.07 0.00 0.00 0.00 0.00 34.95 31.69 1b8q s ARG 115 CO 0.48 0.18 1.02 0.08 0.00 0.00 0.00 175.30 177.06 1b8q s VAL 116 N -1.27 4.25 0.22 3.52 1.01 -0.56 -4.42 120.40 123.14 1b8q s VAL 116 Ca 0.47 1.89 -0.28 0.00 0.00 0.00 0.00 61.98 64.06 1b8q s VAL 116 Cb -0.29 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.80 1b8q s VAL 116 CO 0.37 0.30 0.88 0.28 0.00 0.00 0.00 175.10 176.93 1b8q s THR 117 N -0.08 4.19 0.00 3.92 -1.32 -1.25 0.10 115.64 121.20 1b8q s THR 117 Ca 0.48 1.93 0.07 0.00 -1.21 0.00 0.00 61.69 62.95 1b8q s THR 117 Cb -0.26 -4.23 -0.02 0.00 -1.51 0.00 0.00 72.50 66.48 1b8q s THR 117 CO 0.32 0.47 -0.21 0.00 -2.21 0.00 0.00 174.62 172.99 1b8q s GLN 118 N -1.26 1.63 -0.53 7.08 1.03 0.14 -4.76 119.66 122.99 1b8q s GLN 118 Ca 0.40 -0.80 -0.38 0.00 0.04 0.00 0.00 55.36 54.61 1b8q s GLN 118 Cb -0.24 -1.62 -0.17 0.00 0.03 0.00 0.00 33.01 31.01 1b8q s GLN 118 CO 0.29 0.44 2.26 -0.35 -2.54 0.00 0.00 175.29 175.38 1b8q n PRO 119 N 2.37 0.38 -0.03 9.60 -0.04 -1.26 0.72 135.00 146.74 1b8q n PRO 119 Ca -0.16 0.09 -0.04 0.00 -0.04 0.00 0.00 63.50 63.35 1b8q n PRO 119 Cb 0.53 -1.89 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 1b8q n PRO 119 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1b8q n LEU 120 N 9.08 2.99 -1.09 1.53 -0.00 0.19 -4.81 117.00 124.89 1b8q n LEU 120 Ca 0.52 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.50 1b8q n LEU 120 Cb 0.08 -0.20 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 1b8q n LEU 120 CO 0.84 0.60 -0.14 0.61 -0.00 0.00 0.00 177.39 179.30 1b8q n GLY 121 N 3.22 -4.04 3.44 1.47 0.00 0.12 -4.95 105.19 104.44 1b8q n GLY 121 Ca -0.10 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 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 0.56 -0.43 -1.59 1.61 -0.02 -1.26 -4.95 135.00 128.92 1b8q n PRO 122 Ca 0.00 -0.08 -0.31 0.00 -2.02 0.00 0.00 63.50 61.09 1b8q n PRO 122 Cb 0.00 -1.92 0.05 0.00 -0.02 0.00 0.00 33.50 31.61 1b8q n PRO 122 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1b8q s PRO 123 N -3.76 2.97 -0.09 0.52 0.04 -1.26 -5.08 135.00 128.35 1b8q s PRO 123 Ca 0.58 0.93 -0.32 0.00 0.04 0.00 0.00 61.00 62.24 1b8q s PRO 123 Cb -0.21 -2.00 0.12 0.00 0.04 0.00 0.00 34.50 32.46 1b8q s PRO 123 CO 0.66 -1.07 1.10 -0.08 0.04 0.00 0.00 177.00 177.66 1b8q s THR 124 N -3.06 0.00 -0.24 1.26 -1.32 -1.26 -5.05 115.64 105.97 1b8q s THR 124 Ca 0.58 -0.08 0.10 0.00 -1.21 0.00 0.00 61.69 61.08 1b8q s THR 124 Cb -0.14 -1.20 0.44 0.00 -1.51 0.00 0.00 72.50 70.10 1b8q s THR 124 CO 0.55 0.00 1.20 1.17 -2.21 0.00 0.00 174.62 175.33 1b8q n LYS 125 N -0.21 2.53 -0.61 7.08 4.81 -1.26 -4.71 118.16 125.78 1b8q n LYS 125 Ca -0.04 -3.69 0.05 0.00 -0.87 0.00 0.00 58.31 53.77 1b8q n LYS 125 Cb 0.60 -1.88 0.28 0.00 0.02 0.00 0.00 35.03 34.06 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 -0.83 3.40 -0.54 3.14 0.00 -1.26 -5.39 120.51 119.03 1b8q n ALA 126 Ca 0.30 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1b8q n ALA 126 Cb 0.85 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1b8q n ALA 126 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78