#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 -0.06 -2.74 1.61 7.64 -1.26 -5.04 113.62 113.78 1b8q n SER 2 Ca 0.00 -1.85 -0.00 0.00 1.01 0.00 0.00 58.87 58.03 1b8q n SER 2 Cb 0.00 0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1b8q n SER 2 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1b8q n HIS 3 N -0.26 -3.90 -0.05 1.43 -0.00 -1.26 -5.01 115.22 106.16 1b8q n HIS 3 Ca 0.02 1.72 -0.08 0.00 -0.00 0.00 0.00 57.72 59.38 1b8q n HIS 3 Cb 0.23 -3.95 -0.05 0.00 -0.00 0.00 0.00 29.99 26.23 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 0.68 0.25 -4.33 -0.41 2.00 -1.26 -5.02 117.12 109.03 1b8q n MET 4 Ca 0.01 0.07 -0.38 0.00 0.00 0.00 0.00 57.70 57.39 1b8q n MET 4 Cb 0.04 -1.12 -0.04 0.00 0.00 0.00 0.00 33.22 32.09 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 -2.99 -0.72 -3.54 2.02 3.06 -1.26 -4.91 119.36 111.02 1b8q n ILE 5 Ca -0.19 -0.02 -0.14 0.00 -2.50 0.00 0.00 62.75 59.91 1b8q n ILE 5 Cb 0.68 -1.30 -0.05 0.00 0.54 0.00 0.00 39.64 39.51 1b8q n ILE 5 CO 0.00 0.00 0.00 -1.83 -2.50 0.00 0.00 176.55 172.22 1b8q s GLU 6 N -7.04 0.85 0.00 9.51 -1.05 -1.26 -4.90 118.70 114.81 1b8q s GLU 6 Ca 0.76 0.11 0.00 0.00 -0.15 0.00 0.00 54.97 55.69 1b8q s GLU 6 Cb -0.42 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.67 1b8q s GLU 6 CO 0.96 -0.28 0.00 -0.35 0.95 0.00 0.00 175.26 176.54 1b8q n PRO 7 N 0.65 1.17 0.00 -4.83 -0.04 -1.26 -4.37 135.00 126.32 1b8q n PRO 7 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1b8q n PRO 7 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1b8q n PRO 7 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1b8q n ASN 8 N -1.51 0.00 -3.19 3.54 2.85 -1.26 -4.58 115.26 111.11 1b8q n ASN 8 Ca 0.00 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.48 1b8q n ASN 8 Cb 0.00 0.02 -0.01 0.00 1.24 0.00 0.00 39.78 41.03 1b8q n ASN 8 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1b8q s VAL 9 N -0.97 -0.96 0.31 3.44 1.01 -1.23 0.16 120.40 122.16 1b8q s VAL 9 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1b8q s VAL 9 Cb 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 36.38 36.35 1b8q s VAL 9 CO 0.00 0.00 0.44 -0.38 0.00 0.00 0.00 175.10 175.16 1b8q n ILE 10 N 4.43 0.00 -1.71 2.22 -0.00 -0.93 -4.72 119.36 118.65 1b8q n ILE 10 Ca 0.11 -1.55 -0.29 0.00 -0.00 0.00 0.00 62.75 61.01 1b8q n ILE 10 Cb 0.57 0.97 0.10 0.00 -0.00 0.00 0.00 39.64 41.27 1b8q n ILE 10 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 1b8q s SER 11 N -2.92 4.39 0.11 4.38 0.01 -1.26 -1.34 113.70 117.07 1b8q s SER 11 Ca 0.25 1.02 -0.22 0.00 1.31 0.00 0.00 55.95 58.31 1b8q s SER 11 Cb -0.01 -1.65 0.06 0.00 0.21 0.00 0.00 66.02 64.63 1b8q s SER 11 CO 0.18 -2.00 0.55 -0.69 0.41 0.00 0.00 173.24 171.68 1b8q s VAL 12 N -3.35 0.02 -0.02 3.43 1.01 0.39 -4.54 120.40 117.35 1b8q s VAL 12 Ca 0.61 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 1b8q s VAL 12 Cb -0.13 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1b8q s VAL 12 CO 0.52 -0.10 0.05 -0.60 0.00 0.00 0.00 175.10 174.98 1b8q s ARG 13 N -3.21 0.13 0.31 2.72 3.52 -1.26 0.10 118.95 121.26 1b8q s ARG 13 Ca -0.01 -0.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.58 1b8q s ARG 13 Cb -0.00 0.06 -0.02 0.00 -1.56 0.00 0.00 34.95 33.42 1b8q s ARG 13 CO -0.08 -0.02 0.33 -0.51 -0.81 0.00 0.00 175.30 174.21 1b8q s LEU 14 N -0.25 1.39 0.08 -0.88 1.02 0.10 -4.94 118.68 115.20 1b8q s LEU 14 Ca -0.03 -1.60 0.08 0.00 0.02 0.00 0.00 54.13 52.60 1b8q s LEU 14 Cb -0.02 0.86 -0.03 0.00 0.02 0.00 0.00 46.19 47.02 1b8q s LEU 14 CO 0.00 -1.11 -0.21 0.12 0.02 0.00 0.00 176.35 175.17 1b8q s PHE 15 N -3.43 1.84 -0.10 0.29 2.19 -1.26 0.16 117.98 117.66 1b8q s PHE 15 Ca 0.37 -0.40 0.00 0.00 0.33 0.00 0.00 56.93 57.23 1b8q s PHE 15 Cb 0.02 -1.04 0.13 0.00 -1.31 0.00 0.00 43.02 40.81 1b8q s PHE 15 CO 0.23 0.17 1.40 1.63 1.83 0.00 0.00 175.22 180.48 1b8q n LYS 16 N 1.39 1.28 -2.93 10.12 5.02 -1.08 -3.70 118.16 128.26 1b8q n LYS 16 Ca -0.18 -0.63 -0.09 0.00 -2.02 0.00 0.00 58.31 55.38 1b8q n LYS 16 Cb 0.53 -1.25 -0.02 0.00 -0.02 0.00 0.00 35.03 34.28 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 0.38 -2.53 -1.77 1.97 5.12 -1.26 0.14 116.66 118.72 1b8q n ARG 17 Ca 0.13 0.05 -0.05 0.00 -1.93 0.00 0.00 57.85 56.05 1b8q n ARG 17 Cb 0.69 -4.58 -0.01 0.00 -1.16 0.00 0.00 32.46 27.40 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 -2.85 -1.84 -1.45 5.56 0.00 -1.26 -4.45 118.16 111.87 1b8q n LYS 18 Ca 0.02 0.28 -0.02 0.00 -0.00 0.00 0.00 58.31 58.59 1b8q n LYS 18 Cb 0.49 -4.59 0.02 0.00 -0.00 0.00 0.00 35.03 30.95 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 -2.06 0.00 -3.58 0.58 0.24 0.63 -4.43 118.33 109.71 1b8q n VAL 19 Ca -0.06 -0.27 -0.24 0.00 -2.04 0.00 0.00 64.34 61.73 1b8q n VAL 19 Cb 0.35 0.52 0.03 0.00 -1.47 0.00 0.00 33.84 33.26 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 -0.42 -1.11 2.35 7.63 0.00 0.38 -4.96 105.19 109.06 1b8q n GLY 20 Ca -0.12 0.49 -0.16 0.00 0.00 0.00 0.00 46.02 46.23 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 2.56 0.45 -0.02 0.00 -0.72 -4.94 105.19 100.83 1b8q n GLY 21 Ca -0.12 -1.15 0.23 0.00 0.00 0.00 0.00 46.02 44.98 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 3.22 0.00 0.00 0.99 4.07 -1.80 -3.36 115.31 118.44 1b8q h LEU 22 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1b8q h LEU 22 Cb 0.99 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1b8q h LEU 22 CO 0.40 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.37 1b8q n GLY 23 N -1.58 1.05 3.52 0.83 0.00 -1.26 -0.79 105.19 106.95 1b8q n GLY 23 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.67 0.83 1.61 -0.71 -1.26 -0.72 117.98 115.06 1b8q s PHE 24 Ca 0.00 1.60 -0.13 0.00 -1.04 0.00 0.00 56.93 57.36 1b8q s PHE 24 Cb 0.00 0.24 0.10 0.00 -1.21 0.00 0.00 43.02 42.15 1b8q s PHE 24 CO 0.00 -0.34 1.20 -0.51 -1.34 0.00 0.00 175.22 174.22 1b8q s LEU 25 N 0.20 2.52 0.02 -1.99 1.43 0.11 -4.79 118.68 116.19 1b8q s LEU 25 Ca -0.01 0.72 -0.14 0.00 -1.03 0.00 0.00 54.13 53.66 1b8q s LEU 25 Cb -0.04 -3.14 0.02 0.00 0.03 0.00 0.00 46.19 43.06 1b8q s LEU 25 CO 0.01 -2.03 0.31 0.68 0.23 0.00 0.00 176.35 175.55 1b8q s VAL 26 N -3.62 0.07 -0.24 -1.59 -7.23 -1.26 -2.23 120.40 104.30 1b8q s VAL 26 Ca 0.64 -0.61 -0.03 0.00 -1.81 0.00 0.00 61.98 60.17 1b8q s VAL 26 Cb -0.10 -0.83 0.08 0.00 0.56 0.00 0.00 36.38 36.09 1b8q s VAL 26 CO 0.50 -0.33 0.08 -1.59 -0.31 0.00 0.00 175.10 173.44 1b8q s LYS 27 N -2.13 0.46 -0.08 4.82 -2.85 0.30 -4.80 119.74 115.45 1b8q s LYS 27 Ca -0.08 -0.55 -0.01 0.00 -1.00 0.00 0.00 55.97 54.33 1b8q s LYS 27 Cb -0.02 -1.80 -0.03 0.00 -2.06 0.00 0.00 37.83 33.92 1b8q s LYS 27 CO -0.01 -0.82 -0.03 -2.00 0.10 0.00 0.00 175.35 172.59 1b8q s GLU 28 N 1.91 2.94 -0.09 1.78 -6.30 -1.26 -1.40 118.70 116.29 1b8q s GLU 28 Ca 0.05 -0.47 -0.30 0.00 -2.50 0.00 0.00 54.97 51.75 1b8q s GLU 28 Cb -0.17 -2.72 -0.02 0.00 0.00 0.00 0.00 34.13 31.22 1b8q s GLU 28 CO -0.20 0.65 1.16 1.03 0.02 0.00 0.00 175.26 177.93 1b8q s ARG 29 N -0.76 4.35 0.64 4.30 0.52 -1.24 -4.89 118.95 121.87 1b8q s ARG 29 Ca 0.12 1.60 0.28 0.00 -0.52 0.00 0.00 55.73 57.20 1b8q s ARG 29 Cb -0.11 -3.58 1.48 0.00 0.52 0.00 0.00 34.95 33.25 1b8q s ARG 29 CO 0.02 -0.45 1.85 0.28 0.02 0.00 0.00 175.30 177.01 1b8q h VAL 30 N 5.10 0.11 -0.53 3.52 2.07 -1.96 -2.40 116.25 122.17 1b8q h VAL 30 Ca -0.32 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.94 1b8q h VAL 30 Cb 1.15 0.60 -0.38 0.00 -1.52 0.00 0.00 31.29 31.14 1b8q h VAL 30 CO 0.89 0.00 -1.08 -1.54 0.02 0.00 0.00 177.57 175.86 1b8q n SER 31 N -3.11 1.31 -3.63 0.57 3.41 -1.26 -4.80 113.62 106.10 1b8q n SER 31 Ca 0.01 -2.20 -0.10 0.00 -0.26 0.00 0.00 58.87 56.33 1b8q n SER 31 Cb 0.52 -0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 64.00 1b8q n SER 31 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1b8q s LYS 32 N -3.36 0.56 0.15 4.33 1.02 -0.90 -5.07 119.74 116.47 1b8q s LYS 32 Ca 0.26 0.61 -0.16 0.00 0.02 0.00 0.00 55.97 56.70 1b8q s LYS 32 Cb 0.36 0.27 0.03 0.00 -0.52 0.00 0.00 37.83 37.98 1b8q s LYS 32 CO -0.03 -0.08 1.79 -1.35 -0.92 0.00 0.00 175.35 174.76 1b8q h PRO 33 N 4.16 0.41 -4.95 -1.68 0.11 -1.79 -3.29 132.00 124.96 1b8q h PRO 33 Ca -0.28 -0.02 -0.41 0.00 0.11 0.00 0.00 66.00 65.40 1b8q h PRO 33 Cb 1.17 -0.09 -0.11 0.00 0.11 0.00 0.00 31.00 32.08 1b8q h PRO 33 CO 0.12 0.27 1.92 -2.30 -0.21 0.00 0.00 178.00 177.79 1b8q n PRO 34 N -4.90 0.00 -4.77 1.05 -0.02 -1.26 -4.35 135.00 120.75 1b8q n PRO 34 Ca 0.01 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.18 1b8q n PRO 34 Cb 0.07 -1.17 -0.13 0.00 -0.02 0.00 0.00 33.50 32.25 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 3.31 2.67 0.24 -1.45 0.11 -1.26 -3.69 120.40 120.33 1b8q s VAL 35 Ca 1.32 -1.16 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 1b8q s VAL 35 Cb -0.99 -2.09 0.00 0.00 -1.53 0.00 0.00 36.38 31.77 1b8q s VAL 35 CO 0.53 0.39 0.52 -0.51 -3.33 0.00 0.00 175.10 172.70 1b8q s ILE 36 N -0.86 0.01 0.33 7.04 1.10 -0.49 -4.56 121.20 123.77 1b8q s ILE 36 Ca 0.13 -1.25 -0.23 0.00 -0.51 0.00 0.00 60.65 58.79 1b8q s ILE 36 Cb -0.10 -2.07 -0.10 0.00 0.15 0.00 0.00 42.46 40.34 1b8q s ILE 36 CO 0.04 -0.03 0.90 -0.63 -2.11 0.00 0.00 174.94 173.11 1b8q s ILE 37 N -3.98 4.33 -0.14 2.00 1.01 -1.26 0.11 121.20 123.27 1b8q s ILE 37 Ca 0.18 1.61 0.01 0.00 0.00 0.00 0.00 60.65 62.45 1b8q s ILE 37 Cb -0.02 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 1b8q s ILE 37 CO 0.07 0.03 -0.13 -0.24 0.00 0.00 0.00 174.94 174.67 1b8q n SER 38 N 0.27 2.81 -3.64 3.58 2.88 -0.95 0.56 113.62 119.14 1b8q n SER 38 Ca 0.02 -0.06 -0.06 0.00 -1.33 0.00 0.00 58.87 57.45 1b8q n SER 38 Cb 0.51 -0.23 -0.07 0.00 -0.75 0.00 0.00 64.21 63.67 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 -5.40 -0.69 -1.05 -3.46 2.15 -1.26 -4.65 116.67 102.31 1b8q s ASP 39 Ca -0.19 1.14 -0.22 0.00 0.43 0.00 0.00 52.55 53.71 1b8q s ASP 39 Cb 0.05 1.26 -0.11 0.00 -0.30 0.00 0.00 42.92 43.82 1b8q s ASP 39 CO 0.32 -0.18 1.92 0.18 -0.17 0.00 0.00 175.17 177.24 1b8q n LEU 40 N 3.71 3.42 -0.22 -1.34 4.77 -1.26 0.09 117.00 126.18 1b8q n LEU 40 Ca -0.18 -3.09 -0.05 0.00 -0.03 0.00 0.00 56.01 52.66 1b8q n LEU 40 Cb 0.58 -1.53 -0.04 0.00 -2.33 0.00 0.00 43.42 40.09 1b8q n LEU 40 CO 0.01 -1.32 0.26 0.00 -1.33 0.00 0.00 177.39 175.01 1b8q n ILE 41 N 7.19 -0.35 -0.03 -0.08 0.13 0.10 -3.61 119.36 122.72 1b8q n ILE 41 Ca 0.47 1.27 -0.02 0.00 -1.10 0.00 0.00 62.75 63.37 1b8q n ILE 41 Cb 0.45 -1.59 -0.01 0.00 -0.84 0.00 0.00 39.64 37.65 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 -4.68 0.18 0.00 9.51 0.00 -1.20 -4.97 116.66 115.50 1b8q n ARG 42 Ca 0.02 0.23 0.00 0.00 -0.00 0.00 0.00 57.85 58.10 1b8q n ARG 42 Cb 0.15 -0.99 0.00 0.00 0.00 0.00 0.00 32.46 31.62 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 -1.24 -5.00 105.19 107.20 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 -1.27 0.00 0.00 -0.02 0.00 -1.26 -4.31 105.19 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 -1.60 0.00 0.48 4.61 0.00 -1.26 -4.23 120.51 118.52 1b8q n ALA 45 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1b8q n ALA 45 Cb 0.36 0.00 -0.10 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 -1.20 -0.76 0.00 0.00 -1.26 -2.16 119.26 111.88 1b8q h ALA 46 Ca 0.00 -0.26 0.16 0.00 0.00 0.00 0.00 54.91 54.81 1b8q h ALA 46 Cb 0.00 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 18.12 1b8q h ALA 46 CO 0.00 -1.18 -0.14 1.49 0.00 0.00 0.00 179.25 179.42 1b8q h GLU 47 N -1.20 0.02 -0.95 0.00 4.81 -1.81 0.61 114.58 116.05 1b8q h GLU 47 Ca -0.12 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.21 1b8q h GLU 47 Cb 0.92 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.22 1b8q h GLU 47 CO 0.20 0.01 0.61 1.96 -0.73 0.00 0.00 179.01 181.06 1b8q h GLN 48 N 0.02 0.94 -0.39 1.92 4.20 -1.70 -1.72 115.11 118.39 1b8q h GLN 48 Ca 0.38 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 59.11 1b8q h GLN 48 Cb 0.61 -0.21 -0.07 0.00 0.30 0.00 0.00 27.48 28.10 1b8q h GLN 48 CO -0.76 0.62 -0.09 0.77 -0.67 0.00 0.00 178.83 178.71 1b8q h SER 49 N 0.97 -0.34 0.00 1.46 0.02 0.90 -3.47 113.55 113.09 1b8q h SER 49 Ca 0.45 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 1b8q h SER 49 Cb 0.41 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1b8q h SER 49 CO -0.21 -0.12 0.00 0.61 -1.14 0.00 0.00 176.83 175.97 1b8q n GLY 50 N -1.30 2.12 0.68 -3.77 0.00 -0.65 -4.82 105.19 97.46 1b8q n GLY 50 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 2.19 -4.41 0.99 -0.00 -1.26 -4.84 117.00 109.67 1b8q n LEU 51 Ca 0.00 -0.73 -0.35 0.00 -0.00 0.00 0.00 56.01 54.93 1b8q n LEU 51 Cb 0.00 -0.01 -0.13 0.00 -0.00 0.00 0.00 43.42 43.28 1b8q n LEU 51 CO 0.00 0.37 -0.35 -0.63 -0.00 0.00 0.00 177.39 176.78 1b8q s ILE 52 N -2.10 3.74 0.11 1.47 1.09 -1.26 -4.74 121.20 119.52 1b8q s ILE 52 Ca 0.30 -0.38 -0.13 0.00 -1.10 0.00 0.00 60.65 59.34 1b8q s ILE 52 Cb 0.20 -2.68 0.02 0.00 -1.06 0.00 0.00 42.46 38.94 1b8q s ILE 52 CO 0.36 0.43 0.32 -1.10 -0.10 0.00 0.00 174.94 174.85 1b8q s GLN 53 N 1.06 0.98 0.11 2.79 1.11 -1.26 -4.10 119.66 120.34 1b8q s GLN 53 Ca 0.02 -0.82 -0.31 0.00 0.01 0.00 0.00 55.36 54.26 1b8q s GLN 53 Cb -0.14 0.42 -0.08 0.00 -1.01 0.00 0.00 33.01 32.20 1b8q s GLN 53 CO 0.01 -0.36 1.38 0.00 0.01 0.00 0.00 175.29 176.33 1b8q s ALA 54 N -3.83 3.58 -0.53 6.09 0.00 -1.26 -2.16 121.76 123.65 1b8q s ALA 54 Ca 0.04 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1b8q s ALA 54 Cb 0.03 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1b8q s ALA 54 CO -0.11 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.44 1b8q n GLY 55 N 3.48 0.64 0.00 0.00 0.00 0.19 -4.90 105.19 104.60 1b8q n GLY 55 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.45 0.00 -3.66 1.61 9.92 -0.92 -4.90 116.55 118.15 1b8q n ASP 56 Ca -0.05 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.15 1b8q n ASP 56 Cb 0.36 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.76 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 -0.58 -0.49 0.53 1.01 -1.26 -4.94 121.20 115.47 1b8q s ILE 57 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.80 1b8q s ILE 57 Cb 0.00 -0.79 0.23 0.00 0.01 0.00 0.00 42.46 41.91 1b8q s ILE 57 CO 0.00 0.04 0.88 0.00 0.00 0.00 0.00 174.94 175.85 1b8q n ILE 58 N 5.11 0.00 -0.01 2.92 0.13 -1.26 -4.69 119.36 121.56 1b8q n ILE 58 Ca -0.13 -1.43 -0.09 0.00 -1.10 0.00 0.00 62.75 59.99 1b8q n ILE 58 Cb 0.51 1.44 -0.08 0.00 -0.84 0.00 0.00 39.64 40.67 1b8q n ILE 58 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 176.55 179.60 1b8q h LEU 59 N 4.10 -0.07 -9.16 9.51 5.85 -1.76 -3.38 115.31 120.40 1b8q h LEU 59 Ca -0.13 -0.49 -0.58 0.00 0.84 0.00 0.00 57.88 57.51 1b8q h LEU 59 Cb 1.04 0.02 -0.14 0.00 0.37 0.00 0.00 40.66 41.95 1b8q h LEU 59 CO 0.29 0.62 -0.76 0.00 -0.34 0.00 0.00 178.44 178.25 1b8q s ALA 60 N -2.93 2.63 -0.19 1.25 0.00 -1.00 -3.03 121.76 118.48 1b8q s ALA 60 Ca -0.12 -1.85 -0.28 0.00 0.00 0.00 0.00 51.96 49.71 1b8q s ALA 60 Cb -0.01 -0.23 0.11 0.00 0.00 0.00 0.00 23.12 23.00 1b8q s ALA 60 CO 0.44 0.24 0.95 0.54 0.00 0.00 0.00 175.76 177.93 1b8q s VAL 61 N -2.59 0.00 -1.70 0.00 0.11 -1.16 -2.08 120.40 112.98 1b8q s VAL 61 Ca 0.29 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.16 1b8q s VAL 61 Cb -0.04 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 33.96 1b8q s VAL 61 CO 0.14 0.00 0.72 -0.46 -3.33 0.00 0.00 175.10 172.16 1b8q n ASN 62 N 1.37 -2.78 -2.28 3.54 0.23 0.32 0.95 115.26 116.61 1b8q n ASN 62 Ca -0.12 -1.05 -0.21 0.00 -0.53 0.00 0.00 54.58 52.67 1b8q n ASN 62 Cb 0.57 -2.59 -0.02 0.00 -2.08 0.00 0.00 39.78 35.65 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 -2.66 -5.83 -4.01 0.53 2.03 -1.26 -4.88 116.55 100.48 1b8q n ASP 63 Ca 0.04 0.07 -0.31 0.00 0.52 0.00 0.00 54.79 55.11 1b8q n ASP 63 Cb 0.51 -4.90 -0.15 0.00 -0.72 0.00 0.00 41.12 35.86 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 -4.85 1.60 -0.94 -0.67 1.81 0.27 -5.04 118.95 111.13 1b8q s ARG 64 Ca 0.00 -2.01 -0.26 0.00 -1.72 0.00 0.00 55.73 51.74 1b8q s ARG 64 Cb 0.00 -3.25 -0.17 0.00 -0.45 0.00 0.00 34.95 31.08 1b8q s ARG 64 CO 0.00 -0.98 2.24 -1.25 -0.68 0.00 0.00 175.30 174.63 1b8q s PRO 65 N 0.70 1.49 -0.69 3.54 0.04 -1.26 -3.00 135.00 135.82 1b8q s PRO 65 Ca 0.12 -0.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.02 1b8q s PRO 65 Cb -0.20 -4.90 -0.10 0.00 0.04 0.00 0.00 34.50 29.33 1b8q s PRO 65 CO -0.06 -4.86 1.87 1.28 0.04 0.00 0.00 177.00 175.26 1b8q n LEU 66 N 18.75 3.74 0.14 -3.56 4.77 -1.17 -3.79 117.00 135.89 1b8q n LEU 66 Ca 0.44 -2.54 0.00 0.00 -0.03 0.00 0.00 56.01 53.88 1b8q n LEU 66 Cb 0.45 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 1b8q n LEU 66 CO 0.57 -0.10 0.00 1.33 -1.33 0.00 0.00 177.39 177.86 1b8q n VAL 67 N 5.04 0.00 -1.42 4.08 0.24 -1.26 -4.38 118.33 120.63 1b8q n VAL 67 Ca 0.40 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.64 1b8q n VAL 67 Cb 0.21 -0.41 0.20 0.00 -1.47 0.00 0.00 33.84 32.38 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 -3.39 2.63 -4.55 -1.34 -0.08 -1.25 -2.72 116.55 105.85 1b8q n ASP 68 Ca 0.00 -3.74 -0.29 0.00 -1.51 0.00 0.00 54.79 49.25 1b8q n ASP 68 Cb 0.00 -0.65 -0.09 0.00 2.34 0.00 0.00 41.12 42.72 1b8q n ASP 68 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 1b8q s LEU 69 N -3.24 2.35 -0.59 -2.67 2.34 -1.26 -5.07 118.68 110.54 1b8q s LEU 69 Ca 0.46 -1.56 -0.27 0.00 0.06 0.00 0.00 54.13 52.82 1b8q s LEU 69 Cb 0.41 -0.59 -0.01 0.00 -0.56 0.00 0.00 46.19 45.45 1b8q s LEU 69 CO 0.01 -0.75 1.66 -0.44 -1.06 0.00 0.00 176.35 175.77 1b8q s SER 70 N -3.73 5.67 0.14 1.48 0.01 -1.26 -4.89 113.70 111.13 1b8q s SER 70 Ca 0.20 0.32 -0.28 0.00 1.31 0.00 0.00 55.95 57.50 1b8q s SER 70 Cb 0.05 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.68 1b8q s SER 70 CO 0.10 -2.07 1.49 0.22 0.41 0.00 0.00 173.24 173.40 1b8q h TYR 71 N 13.08 -1.71 -0.38 2.43 3.20 -1.87 0.79 116.97 132.51 1b8q h TYR 71 Ca -0.27 0.12 0.11 0.00 3.14 0.00 0.00 58.73 61.82 1b8q h TYR 71 Cb 1.13 0.86 -0.02 0.00 1.54 0.00 0.00 36.73 40.25 1b8q h TYR 71 CO 1.04 -0.34 0.31 0.38 -1.64 0.00 0.00 178.16 177.92 1b8q h ASP 72 N -0.01 0.00 0.14 -2.11 3.04 -1.94 -0.04 116.42 115.51 1b8q h ASP 72 Ca 0.14 0.00 -0.31 0.00 -3.24 0.00 0.00 57.03 53.63 1b8q h ASP 72 Cb 0.37 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 38.69 1b8q h ASP 72 CO -0.84 0.00 -1.28 0.28 -2.04 0.00 0.00 179.24 175.36 1b8q h SER 73 N 0.00 0.88 -0.45 4.15 0.02 -0.01 -2.12 113.55 116.02 1b8q h SER 73 Ca 0.18 -0.83 -0.00 0.00 -0.84 0.00 0.00 61.79 60.30 1b8q h SER 73 Cb 0.80 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1b8q h SER 73 CO -0.00 1.63 0.28 0.00 -1.14 0.00 0.00 176.83 177.60 1b8q h ALA 74 N 0.27 1.62 -0.05 3.77 0.00 0.14 0.23 119.26 125.24 1b8q h ALA 74 Ca -0.20 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.42 1b8q h ALA 74 Cb 1.95 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.56 1b8q h ALA 74 CO 0.24 0.33 -0.91 -0.07 0.00 0.00 0.00 179.25 178.84 1b8q h LEU 75 N 0.63 0.75 -0.31 0.00 3.38 -1.22 -2.40 115.31 116.13 1b8q h LEU 75 Ca 0.17 -0.56 -0.19 0.00 0.09 0.00 0.00 57.88 57.38 1b8q h LEU 75 Cb -0.03 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1b8q h LEU 75 CO -0.03 1.35 -0.63 1.05 0.09 0.00 0.00 178.44 180.27 1b8q h GLU 76 N 0.36 0.75 -0.61 1.13 4.11 -0.70 0.51 114.58 120.13 1b8q h GLU 76 Ca -0.08 -0.52 -0.02 0.00 0.07 0.00 0.00 59.36 58.80 1b8q h GLU 76 Cb 1.55 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.85 1b8q h GLU 76 CO 0.17 1.14 0.30 0.28 0.07 0.00 0.00 179.01 180.97 1b8q h VAL 77 N 0.55 1.21 0.00 -1.06 2.07 -0.62 -2.16 116.25 116.25 1b8q h VAL 77 Ca -0.01 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1b8q h VAL 77 Cb 1.23 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1b8q h VAL 77 CO 0.13 0.24 -0.19 0.17 0.02 0.00 0.00 177.57 177.94 1b8q h LEU 78 N 0.83 0.00 -0.79 2.57 8.10 -1.35 -3.25 115.31 121.43 1b8q h LEU 78 Ca 0.21 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 58.10 1b8q h LEU 78 Cb 0.11 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.32 1b8q h LEU 78 CO -0.03 0.19 -0.14 0.03 -4.11 0.00 0.00 178.44 174.38 1b8q h ARG 79 N 0.00 0.76 0.00 0.17 -0.00 0.64 -2.57 114.38 113.38 1b8q h ARG 79 Ca -0.00 -0.27 0.00 0.00 -0.50 0.00 0.00 59.98 59.21 1b8q h ARG 79 Cb 1.14 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 31.05 1b8q h ARG 79 CO 0.02 0.87 0.08 0.78 0.00 0.00 0.00 179.97 181.72 1b8q h GLY 80 N 0.97 0.00 -5.67 0.04 0.00 -1.46 -3.43 103.07 93.52 1b8q h GLY 80 Ca 0.11 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.82 1b8q h GLY 80 CO 0.04 0.00 1.02 1.39 0.00 0.00 0.00 176.54 178.99 1b8q n ILE 81 N -2.88 0.45 -0.17 2.60 5.41 -0.97 -4.97 119.36 118.83 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 0.14 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 37.34 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 5.89 0.00 -2.68 -1.39 0.00 -1.26 -4.70 120.51 116.38 1b8q n ALA 82 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.62 1b8q n ALA 82 Cb 0.27 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.04 0.30 -2.63 0.00 7.64 -1.26 -4.50 113.62 112.13 1b8q n SER 83 Ca 0.00 -1.23 -0.07 0.00 1.01 0.00 0.00 58.87 58.58 1b8q n SER 83 Cb 0.00 -0.09 -0.01 0.00 -1.01 0.00 0.00 64.21 63.10 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 -1.27 -2.69 -4.36 1.43 4.71 -1.26 -4.89 120.64 112.32 1b8q n GLU 84 Ca 0.03 0.21 -0.20 0.00 -0.01 0.00 0.00 57.16 57.19 1b8q n GLU 84 Cb 0.10 -4.76 -0.10 0.00 -1.01 0.00 0.00 31.44 25.67 1b8q n GLU 84 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 1b8q s THR 85 N -2.30 1.85 0.53 2.62 -1.32 -1.26 -5.05 115.64 110.71 1b8q s THR 85 Ca 0.07 -2.16 0.09 0.00 -1.21 0.00 0.00 61.69 58.48 1b8q s THR 85 Cb -0.04 -2.02 0.06 0.00 -1.51 0.00 0.00 72.50 69.00 1b8q s THR 85 CO 0.08 -0.50 0.72 -1.00 -2.21 0.00 0.00 174.62 171.71 1b8q s HIS 86 N -2.68 1.78 0.02 9.09 3.76 -1.26 -2.64 115.29 123.37 1b8q s HIS 86 Ca 0.22 -0.64 -0.13 0.00 -0.15 0.00 0.00 55.06 54.36 1b8q s HIS 86 Cb -0.03 -2.24 0.02 0.00 1.11 0.00 0.00 32.58 31.44 1b8q s HIS 86 CO 0.08 -0.94 0.27 0.54 -0.85 0.00 0.00 174.74 173.84 1b8q s VAL 87 N -2.59 0.08 0.27 -0.90 0.11 0.43 -4.70 120.40 113.10 1b8q s VAL 87 Ca 0.59 -0.68 0.10 0.00 -2.93 0.00 0.00 61.98 59.06 1b8q s VAL 87 Cb -0.07 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1b8q s VAL 87 CO 0.37 -0.37 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.07 1b8q s VAL 88 N -2.13 3.33 0.30 2.04 1.01 -1.26 0.02 120.40 123.71 1b8q s VAL 88 Ca -0.08 -1.94 -0.15 0.00 0.00 0.00 0.00 61.98 59.81 1b8q s VAL 88 Cb -0.03 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.56 1b8q s VAL 88 CO -0.01 -0.36 0.62 -1.48 0.00 0.00 0.00 175.10 173.87 1b8q s LEU 89 N -3.67 0.13 -0.04 3.92 2.34 0.29 0.12 118.68 121.76 1b8q s LEU 89 Ca 0.32 -0.92 -0.00 0.00 0.06 0.00 0.00 54.13 53.58 1b8q s LEU 89 Cb -0.06 2.29 0.03 0.00 -0.56 0.00 0.00 46.19 47.89 1b8q s LEU 89 CO 0.20 -1.34 0.00 -0.63 -1.06 0.00 0.00 176.35 173.52 1b8q s ILE 90 N -3.54 0.22 0.15 1.48 -1.09 -0.88 0.15 121.20 117.68 1b8q s ILE 90 Ca 0.18 0.12 -0.13 0.00 -2.23 0.00 0.00 60.65 58.59 1b8q s ILE 90 Cb -0.03 -0.34 -0.07 0.00 -1.58 0.00 0.00 42.46 40.44 1b8q s ILE 90 CO 0.10 0.18 0.52 -0.76 -1.23 0.00 0.00 174.94 173.75 1b8q s LEU 91 N 1.37 4.31 0.47 2.97 1.43 -0.45 -2.39 118.68 126.40 1b8q s LEU 91 Ca -0.05 0.99 0.03 0.00 -1.03 0.00 0.00 54.13 54.08 1b8q s LEU 91 Cb -0.13 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 1b8q s LEU 91 CO -0.02 0.09 0.01 0.00 0.23 0.00 0.00 176.35 176.65 1b8q s ARG 92 N -2.09 2.11 0.00 1.70 1.04 -1.25 -2.19 118.95 118.28 1b8q s ARG 92 Ca 0.38 -2.29 0.00 0.00 -1.04 0.00 0.00 55.73 52.78 1b8q s ARG 92 Cb -0.14 -1.57 0.00 0.00 -2.04 0.00 0.00 34.95 31.20 1b8q s ARG 92 CO 0.19 -0.25 0.00 0.41 -0.04 0.00 0.00 175.30 175.62 1b8q n GLY 93 N -1.16 -0.18 3.69 3.88 0.00 0.43 -4.24 105.19 107.61 1b8q n GLY 93 Ca -0.14 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 2.78 -0.84 1.61 -0.04 -1.23 -4.16 135.00 133.13 1b8q n PRO 94 Ca 0.00 1.01 -0.05 0.00 -0.04 0.00 0.00 63.50 64.42 1b8q n PRO 94 Cb 0.00 -2.91 -0.05 0.00 -0.04 0.00 0.00 33.50 30.50 1b8q n PRO 94 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1b8q n GLU 95 N 5.70 0.00 -2.44 0.54 0.28 -1.26 -5.04 120.64 118.42 1b8q n GLU 95 Ca 0.18 -0.71 -0.08 0.00 -0.16 0.00 0.00 57.16 56.40 1b8q n GLU 95 Cb 0.37 0.44 0.04 0.00 1.43 0.00 0.00 31.44 33.72 1b8q n GLU 95 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1b8q n GLY 96 N 0.00 -0.21 3.64 -1.84 0.00 -1.26 -4.99 105.19 100.53 1b8q n GLY 96 Ca -0.20 0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.21 -1.05 -0.14 1.61 0.40 -1.26 -3.14 117.98 111.19 1b8q s PHE 97 Ca 0.25 2.10 -0.20 0.00 -0.60 0.00 0.00 56.93 58.47 1b8q s PHE 97 Cb -0.03 0.63 -0.03 0.00 0.51 0.00 0.00 43.02 44.09 1b8q s PHE 97 CO 0.40 -0.52 0.59 0.95 0.70 0.00 0.00 175.22 177.33 1b8q s THR 98 N 1.66 5.09 -0.92 0.64 -4.23 0.39 -4.50 115.64 113.77 1b8q s THR 98 Ca -0.10 1.15 -0.20 0.00 -1.18 0.00 0.00 61.69 61.36 1b8q s THR 98 Cb -0.05 -3.92 0.10 0.00 1.34 0.00 0.00 72.50 69.97 1b8q s THR 98 CO -0.20 0.22 1.19 -0.89 -0.54 0.00 0.00 174.62 174.41 1b8q s THR 99 N 1.18 4.47 -0.13 3.99 2.01 -1.24 0.46 115.64 126.38 1b8q s THR 99 Ca 0.30 -1.21 -0.05 0.00 0.31 0.00 0.00 61.69 61.03 1b8q s THR 99 Cb -0.16 -4.84 -0.04 0.00 0.01 0.00 0.00 72.50 67.47 1b8q s THR 99 CO 0.12 -1.61 0.06 -2.28 -0.69 0.00 0.00 174.62 170.22 1b8q s HIS 100 N 3.44 3.32 0.95 4.92 2.46 0.41 -4.66 115.29 126.13 1b8q s HIS 100 Ca 0.35 0.25 -0.14 0.00 0.47 0.00 0.00 55.06 55.99 1b8q s HIS 100 Cb -0.05 -1.93 0.22 0.00 -0.13 0.00 0.00 32.58 30.69 1b8q s HIS 100 CO -0.07 0.45 0.49 1.47 -2.47 0.00 0.00 174.74 174.60 1b8q n LEU 101 N 2.54 0.00 -2.32 8.88 -0.00 -1.26 -1.41 117.00 123.43 1b8q n LEU 101 Ca -0.18 -0.49 -0.01 0.00 -0.00 0.00 0.00 56.01 55.32 1b8q n LEU 101 Cb 0.54 -0.68 0.00 0.00 -0.00 0.00 0.00 43.42 43.28 1b8q n LEU 101 CO 0.31 -2.35 -0.24 1.21 -0.00 0.00 0.00 177.39 176.32 1b8q n GLU 102 N -2.87 -2.16 -3.92 1.47 2.13 -1.26 -4.69 120.64 109.34 1b8q n GLU 102 Ca 0.08 1.92 -0.08 0.00 0.66 0.00 0.00 57.16 59.74 1b8q n GLU 102 Cb 0.34 -4.00 -0.04 0.00 0.27 0.00 0.00 31.44 28.02 1b8q n GLU 102 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1b8q s THR 103 N -1.31 0.00 -0.05 6.31 -1.32 -1.26 -4.84 115.64 113.17 1b8q s THR 103 Ca 0.04 -1.19 0.04 0.00 -1.21 0.00 0.00 61.69 59.37 1b8q s THR 103 Cb -0.01 -2.10 -0.00 0.00 -1.51 0.00 0.00 72.50 68.88 1b8q s THR 103 CO 0.52 0.00 -0.17 0.42 -2.21 0.00 0.00 174.62 173.18 1b8q s THR 104 N -3.96 1.45 0.39 5.08 -4.23 -1.26 -5.02 115.64 108.09 1b8q s THR 104 Ca 0.16 -0.71 0.08 0.00 -1.18 0.00 0.00 61.69 60.04 1b8q s THR 104 Cb -0.04 -1.26 -0.06 0.00 1.34 0.00 0.00 72.50 72.49 1b8q s THR 104 CO 0.08 0.42 0.09 0.72 -0.54 0.00 0.00 174.62 175.39 1b8q s PHE 105 N 0.17 2.57 0.00 3.99 -0.12 -1.26 -4.32 117.98 119.01 1b8q s PHE 105 Ca -0.07 -0.56 0.00 0.00 -0.05 0.00 0.00 56.93 56.25 1b8q s PHE 105 Cb -0.13 -1.78 0.00 0.00 -0.63 0.00 0.00 43.02 40.48 1b8q s PHE 105 CO 0.03 0.33 0.00 2.41 -0.05 0.00 0.00 175.22 177.94 1b8q n THR 106 N -1.09 0.00 0.00 -4.49 -1.04 -1.26 -5.01 114.28 101.39 1b8q n THR 106 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1b8q n THR 106 Cb 0.64 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 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 3.75 -0.19 1.29 3.41 0.00 -1.26 -5.02 105.19 107.16 1b8q n GLY 107 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.15 0.50 0.00 1.61 5.68 -1.26 -4.85 116.55 117.07 1b8q n ASP 108 Ca 0.00 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 1b8q n ASP 108 Cb 0.00 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 1b8q n ASP 108 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b8q n GLY 109 N 0.34 0.02 0.71 6.12 0.00 -1.26 -5.10 105.19 106.02 1b8q n GLY 109 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.01 0.00 -0.25 2.61 5.66 -1.26 -4.68 114.28 116.35 1b8q n THR 110 Ca 0.00 -0.50 -0.08 0.00 -3.05 0.00 0.00 64.05 60.42 1b8q n THR 110 Cb 0.18 0.26 0.08 0.00 -1.55 0.00 0.00 70.33 69.30 1b8q n THR 110 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1b8q n PRO 111 N -0.14 -0.86 0.00 1.09 -0.02 -1.26 -4.43 135.00 129.38 1b8q n PRO 111 Ca 0.01 -0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.10 1b8q n PRO 111 Cb 0.13 -0.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 1b8q n PRO 111 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1b8q n LYS 112 N -1.32 0.00 0.23 -0.52 4.01 -1.26 -4.21 118.16 115.09 1b8q n LYS 112 Ca 0.04 0.00 0.15 0.00 -0.51 0.00 0.00 58.31 57.98 1b8q n LYS 112 Cb 0.16 0.00 0.78 0.00 -0.51 0.00 0.00 35.03 35.47 1b8q n LYS 112 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1b8q h THR 113 N 0.00 0.00 -3.97 -0.18 2.02 -1.95 -3.43 112.91 105.40 1b8q h THR 113 Ca 0.00 0.00 -0.44 0.00 0.77 0.00 0.00 66.41 66.74 1b8q h THR 113 Cb 0.00 0.64 0.16 0.00 -1.74 0.00 0.00 68.15 67.21 1b8q h THR 113 CO 0.00 0.00 0.30 0.27 0.37 0.00 0.00 175.52 176.46 1b8q s ILE 114 N -3.76 1.89 0.36 3.11 -5.25 -1.26 -5.03 121.20 111.25 1b8q s ILE 114 Ca -0.03 0.00 -0.25 0.00 -0.99 0.00 0.00 60.65 59.38 1b8q s ILE 114 Cb 0.08 -2.78 -0.10 0.00 2.95 0.00 0.00 42.46 42.61 1b8q s ILE 114 CO 0.26 0.00 0.96 -0.13 -1.79 0.00 0.00 174.94 174.24 1b8q s ARG 115 N -5.56 4.46 0.11 0.37 1.81 -1.26 -4.86 118.95 114.02 1b8q s ARG 115 Ca 0.70 1.30 -0.24 0.00 -1.72 0.00 0.00 55.73 55.76 1b8q s ARG 115 Cb -0.09 -2.63 -0.07 0.00 -0.45 0.00 0.00 34.95 31.71 1b8q s ARG 115 CO 0.54 0.17 0.74 0.08 -0.68 0.00 0.00 175.30 176.14 1b8q s VAL 116 N -1.75 4.55 -0.19 3.52 1.01 -0.50 -4.58 120.40 122.47 1b8q s VAL 116 Ca 0.54 1.59 -0.29 0.00 0.00 0.00 0.00 61.98 63.82 1b8q s VAL 116 Cb -0.17 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1b8q s VAL 116 CO 0.22 0.48 1.05 0.42 0.00 0.00 0.00 175.10 177.26 1b8q s THR 117 N -0.77 4.67 -0.08 3.92 -4.23 -1.24 -0.45 115.64 117.46 1b8q s THR 117 Ca 0.35 1.99 0.04 0.00 -1.18 0.00 0.00 61.69 62.89 1b8q s THR 117 Cb -0.22 -4.28 0.00 0.00 1.34 0.00 0.00 72.50 69.34 1b8q s THR 117 CO 0.24 -0.13 -0.20 0.00 -0.54 0.00 0.00 174.62 173.99 1b8q s GLN 118 N 2.91 2.51 -0.28 3.99 -2.07 0.17 -4.73 119.66 122.17 1b8q s GLN 118 Ca 0.46 -0.71 -0.42 0.00 -1.82 0.00 0.00 55.36 52.87 1b8q s GLN 118 Cb -0.16 -1.96 -0.19 0.00 -1.09 0.00 0.00 33.01 29.61 1b8q s GLN 118 CO 0.10 0.15 1.30 -2.30 -1.32 0.00 0.00 175.29 173.22 1b8q n PRO 119 N 3.55 0.00 -0.01 9.60 -0.01 -1.25 0.15 135.00 147.03 1b8q n PRO 119 Ca -0.20 0.00 -0.00 0.00 -0.01 0.00 0.00 63.50 63.29 1b8q n PRO 119 Cb 0.53 -1.41 -0.00 0.00 -0.01 0.00 0.00 33.50 32.60 1b8q n PRO 119 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 1b8q h LEU 120 N 3.93 -0.02 0.00 2.45 3.38 -1.88 -3.44 115.31 119.73 1b8q h LEU 120 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1b8q h LEU 120 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1b8q h LEU 120 CO 0.79 0.19 0.00 0.61 0.09 0.00 0.00 178.44 180.13 1b8q n GLY 121 N 1.79 -0.84 3.43 0.83 0.00 -1.26 -5.07 105.19 104.07 1b8q n GLY 121 Ca -0.00 0.63 -0.29 0.00 0.00 0.00 0.00 46.02 46.36 1b8q n GLY 121 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1b8q s PRO 122 N 0.00 -1.57 1.16 1.61 0.02 -1.26 -4.99 135.00 129.97 1b8q s PRO 122 Ca 0.00 0.60 -0.17 0.00 0.02 0.00 0.00 61.00 61.45 1b8q s PRO 122 Cb 0.00 -1.50 0.21 0.00 0.02 0.00 0.00 34.50 33.23 1b8q s PRO 122 CO 0.00 -4.09 0.39 -2.30 -0.33 0.00 0.00 177.00 170.67 1b8q n PRO 123 N -5.15 -2.65 -4.08 5.54 -0.02 -1.26 -5.00 135.00 122.38 1b8q n PRO 123 Ca 0.05 -0.77 -0.33 0.00 -2.02 0.00 0.00 63.50 60.43 1b8q n PRO 123 Cb 0.56 -1.69 -0.07 0.00 -0.02 0.00 0.00 33.50 32.28 1b8q n PRO 123 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1b8q s THR 124 N -2.16 4.74 -0.51 3.45 -1.32 -1.26 -5.04 115.64 113.54 1b8q s THR 124 Ca 0.51 -0.45 0.05 0.00 -1.21 0.00 0.00 61.69 60.60 1b8q s THR 124 Cb -0.11 -3.19 0.38 0.00 -1.51 0.00 0.00 72.50 68.08 1b8q s THR 124 CO 0.51 0.31 1.04 0.29 -2.21 0.00 0.00 174.62 174.56 1b8q n LYS 125 N 1.06 3.35 -0.49 7.08 5.02 -1.26 -4.78 118.16 128.13 1b8q n LYS 125 Ca -0.12 -4.68 0.06 0.00 -2.02 0.00 0.00 58.31 51.54 1b8q n LYS 125 Cb 0.52 -2.25 0.25 0.00 -0.02 0.00 0.00 35.03 33.54 1b8q n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b8q n ALA 126 N -0.37 3.12 -0.91 7.82 0.00 -1.26 -5.36 120.51 123.55 1b8q n ALA 126 Ca 0.35 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1b8q n ALA 126 Cb 0.53 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1b8q n ALA 126 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83