#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8q s SER 2 N 0.00 2.34 -0.09 1.61 1.04 -1.26 -5.11 113.70 112.23 1b8q s SER 2 Ca 0.00 -2.29 0.01 0.00 0.48 0.00 0.00 55.95 54.15 1b8q s SER 2 Cb 0.00 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.90 1b8q s SER 2 CO 0.00 -0.27 -0.11 -2.28 0.98 0.00 0.00 173.24 171.56 1b8q s HIS 3 N 0.90 1.53 0.00 5.02 2.46 -1.26 -4.91 115.29 119.03 1b8q s HIS 3 Ca 0.21 -0.67 0.00 0.00 0.47 0.00 0.00 55.06 55.07 1b8q s HIS 3 Cb -0.16 -1.18 0.00 0.00 -0.13 0.00 0.00 32.58 31.11 1b8q s HIS 3 CO -0.04 -0.40 0.00 -0.12 -2.47 0.00 0.00 174.74 171.71 1b8q n MET 4 N 4.33 0.00 -0.71 2.88 0.00 -1.26 -5.11 117.12 117.25 1b8q n MET 4 Ca -0.18 0.00 -0.32 0.00 -0.00 0.00 0.00 57.70 57.20 1b8q n MET 4 Cb 0.51 0.00 0.15 0.00 0.00 0.00 0.00 33.22 33.88 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 -1.52 0.00 -3.01 1.12 3.06 -1.25 -4.89 119.36 112.87 1b8q n ILE 5 Ca 0.00 -0.16 -0.17 0.00 -2.50 0.00 0.00 62.75 59.92 1b8q n ILE 5 Cb 0.00 -0.78 -0.02 0.00 0.54 0.00 0.00 39.64 39.38 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 -2.92 0.75 -0.31 9.51 1.02 -1.26 -4.93 120.64 122.49 1b8q n GLU 6 Ca 0.08 -2.62 0.00 0.00 -0.02 0.00 0.00 57.16 54.60 1b8q n GLU 6 Cb 0.54 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 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 1.46 1.61 0.10 3.49 -0.04 -1.26 -4.69 135.00 135.67 1b8q n PRO 7 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1b8q n PRO 7 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1b8q n PRO 7 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1b8q n ASN 8 N -1.36 -0.68 -2.85 3.54 4.05 -1.24 0.80 115.26 117.51 1b8q n ASN 8 Ca 0.00 0.34 -0.10 0.00 0.45 0.00 0.00 54.58 55.27 1b8q n ASN 8 Cb 0.00 0.79 0.01 0.00 1.23 0.00 0.00 39.78 41.81 1b8q n ASN 8 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1b8q n VAL 9 N -3.05 -0.17 -3.49 3.44 0.31 -1.24 -2.89 118.33 111.24 1b8q n VAL 9 Ca 0.00 -1.73 -0.25 0.00 -0.01 0.00 0.00 64.34 62.35 1b8q n VAL 9 Cb 0.00 0.71 -0.02 0.00 -0.91 0.00 0.00 33.84 33.62 1b8q n VAL 9 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1b8q s ILE 10 N 0.52 5.13 0.32 2.52 -1.09 -0.42 -4.87 121.20 123.30 1b8q s ILE 10 Ca 0.32 -0.43 -0.04 0.00 -2.23 0.00 0.00 60.65 58.26 1b8q s ILE 10 Cb 0.12 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 1b8q s ILE 10 CO -0.16 -0.44 0.57 -0.44 -1.23 0.00 0.00 174.94 173.24 1b8q s SER 11 N -3.77 6.40 0.08 3.58 0.01 -1.26 0.07 113.70 118.81 1b8q s SER 11 Ca 0.40 0.68 -0.13 0.00 1.31 0.00 0.00 55.95 58.21 1b8q s SER 11 Cb -0.10 -2.13 0.02 0.00 0.21 0.00 0.00 66.02 64.02 1b8q s SER 11 CO 0.33 -0.25 0.29 -0.69 0.41 0.00 0.00 173.24 173.34 1b8q s VAL 12 N -2.18 0.10 -0.11 3.43 1.01 0.37 -4.74 120.40 118.27 1b8q s VAL 12 Ca 0.43 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1b8q s VAL 12 Cb -0.10 -1.11 0.06 0.00 0.00 0.00 0.00 36.38 35.22 1b8q s VAL 12 CO 0.32 -0.45 0.22 -0.60 0.00 0.00 0.00 175.10 174.60 1b8q s ARG 13 N -3.24 0.12 0.47 2.72 6.06 -1.26 0.10 118.95 123.93 1b8q s ARG 13 Ca -0.00 0.64 0.02 0.00 -2.50 0.00 0.00 55.73 53.89 1b8q s ARG 13 Cb 0.02 -0.13 -0.02 0.00 0.06 0.00 0.00 34.95 34.88 1b8q s ARG 13 CO -0.08 -0.27 0.05 -0.51 -2.50 0.00 0.00 175.30 171.99 1b8q s LEU 14 N 2.16 2.18 0.15 -0.88 1.02 0.17 -4.94 118.68 118.53 1b8q s LEU 14 Ca -0.00 -1.67 0.09 0.00 0.02 0.00 0.00 54.13 52.57 1b8q s LEU 14 Cb -0.12 -0.50 -0.04 0.00 0.02 0.00 0.00 46.19 45.55 1b8q s LEU 14 CO -0.07 -0.89 -0.15 0.12 0.02 0.00 0.00 176.35 175.38 1b8q s PHE 15 N -3.00 2.56 -0.14 0.29 2.19 -1.26 0.18 117.98 118.80 1b8q s PHE 15 Ca 0.12 -0.25 0.01 0.00 0.33 0.00 0.00 56.93 57.15 1b8q s PHE 15 Cb 0.02 -1.31 0.21 0.00 -1.31 0.00 0.00 43.02 40.62 1b8q s PHE 15 CO 0.07 0.45 1.29 1.17 1.83 0.00 0.00 175.22 180.03 1b8q n LYS 16 N 0.47 1.39 -2.62 10.12 3.00 -1.08 -3.64 118.16 125.80 1b8q n LYS 16 Ca -0.13 -0.94 -0.05 0.00 -0.00 0.00 0.00 58.31 57.19 1b8q n LYS 16 Cb 0.54 -1.37 -0.01 0.00 0.00 0.00 0.00 35.03 34.20 1b8q n LYS 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1b8q n ARG 17 N -0.00 -2.75 -1.73 1.64 5.12 -1.26 0.15 116.66 117.84 1b8q n ARG 17 Ca 0.19 0.14 -0.04 0.00 -1.93 0.00 0.00 57.85 56.21 1b8q n ARG 17 Cb 0.86 -4.67 -0.01 0.00 -1.16 0.00 0.00 32.46 27.48 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 -2.68 -1.83 -1.14 5.56 0.00 -1.26 -4.42 118.16 112.38 1b8q n LYS 18 Ca -0.02 0.21 -0.04 0.00 -0.00 0.00 0.00 58.31 58.46 1b8q n LYS 18 Cb 0.52 -4.49 -0.02 0.00 -0.00 0.00 0.00 35.03 31.04 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 -1.94 0.00 -3.47 0.58 0.24 0.26 -4.44 118.33 109.55 1b8q n VAL 19 Ca -0.04 -0.14 -0.15 0.00 -2.04 0.00 0.00 64.34 61.96 1b8q n VAL 19 Cb 0.31 0.45 0.01 0.00 -1.47 0.00 0.00 33.84 33.13 1b8q n VAL 19 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1b8q n GLY 20 N -0.22 -1.24 2.59 7.63 0.00 0.41 -4.98 105.19 109.38 1b8q n GLY 20 Ca -0.18 0.53 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 1b8q n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b8q n GLY 21 N -1.71 0.97 0.40 -0.02 0.00 -0.69 -4.94 105.19 99.21 1b8q n GLY 21 Ca -0.16 -0.36 0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 3.72 0.00 0.00 0.99 4.07 -1.80 -3.36 115.31 118.93 1b8q h LEU 22 Ca -0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1b8q h LEU 22 Cb 1.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.75 1b8q h LEU 22 CO 0.33 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.30 1b8q n GLY 23 N -1.48 1.08 3.39 0.83 0.00 -1.26 -0.04 105.19 107.71 1b8q n GLY 23 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.49 0.90 1.61 -0.71 -1.26 -0.71 117.98 115.32 1b8q s PHE 24 Ca 0.00 1.07 -0.14 0.00 -1.04 0.00 0.00 56.93 56.82 1b8q s PHE 24 Cb 0.00 0.22 0.14 0.00 -1.21 0.00 0.00 43.02 42.17 1b8q s PHE 24 CO 0.00 -0.37 1.22 -0.51 -1.34 0.00 0.00 175.22 174.22 1b8q s LEU 25 N -0.41 2.41 -0.16 -1.99 1.43 0.18 -4.77 118.68 115.36 1b8q s LEU 25 Ca -0.06 0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 53.48 1b8q s LEU 25 Cb -0.03 -2.87 0.05 0.00 0.03 0.00 0.00 46.19 43.36 1b8q s LEU 25 CO 0.03 -2.43 0.48 0.68 0.23 0.00 0.00 176.35 175.35 1b8q s VAL 26 N -3.62 0.00 -0.29 -1.59 -7.23 -1.26 -2.29 120.40 104.12 1b8q s VAL 26 Ca 0.67 -0.04 0.03 0.00 -1.81 0.00 0.00 61.98 60.83 1b8q s VAL 26 Cb -0.09 -0.69 0.08 0.00 0.56 0.00 0.00 36.38 36.24 1b8q s VAL 26 CO 0.51 -0.02 -0.01 -1.59 -0.31 0.00 0.00 175.10 173.68 1b8q s LYS 27 N 0.05 1.67 -0.32 4.82 -2.85 0.17 -4.84 119.74 118.44 1b8q s LYS 27 Ca -0.02 -1.49 -0.11 0.00 -1.00 0.00 0.00 55.97 53.35 1b8q s LYS 27 Cb -0.03 -2.89 -0.01 0.00 -2.06 0.00 0.00 37.83 32.83 1b8q s LYS 27 CO 0.01 -0.77 0.19 -2.00 0.10 0.00 0.00 175.35 172.89 1b8q s GLU 28 N 1.11 3.44 0.11 1.78 2.12 -1.26 -2.14 118.70 123.86 1b8q s GLU 28 Ca 0.02 -0.67 -0.35 0.00 0.36 0.00 0.00 54.97 54.33 1b8q s GLU 28 Cb -0.19 -3.67 -0.15 0.00 0.26 0.00 0.00 34.13 30.38 1b8q s GLU 28 CO -0.08 -0.42 1.48 2.89 -0.54 0.00 0.00 175.26 178.60 1b8q n ARG 29 N 5.04 1.66 -0.50 4.30 -4.01 -1.26 -4.72 116.66 117.16 1b8q n ARG 29 Ca -0.13 0.60 0.43 0.00 -1.04 0.00 0.00 57.85 57.70 1b8q n ARG 29 Cb 0.50 -2.31 0.77 0.00 -3.04 0.00 0.00 32.46 28.37 1b8q n ARG 29 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 1b8q h VAL 30 N 3.59 0.21 0.00 8.89 2.07 -1.95 -3.37 116.25 125.68 1b8q h VAL 30 Ca -0.46 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1b8q h VAL 30 Cb 1.29 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1b8q h VAL 30 CO 0.84 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 177.24 1b8q n SER 31 N -4.14 0.00 0.00 0.57 7.64 -1.26 -4.75 113.62 111.68 1b8q n SER 31 Ca 0.35 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1b8q n SER 31 Cb 1.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.78 1b8q n SER 31 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1b8q n LYS 32 N 0.00 0.00 0.00 1.43 5.02 -1.26 -5.17 118.16 118.18 1b8q n LYS 32 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1b8q n LYS 32 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1b8q n LYS 32 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1b8q n PRO 33 N 0.00 -0.33 -2.74 1.97 -0.04 -1.26 -4.99 135.00 127.61 1b8q n PRO 33 Ca 0.00 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 1b8q n PRO 33 Cb 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.49 1b8q n PRO 33 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1b8q s PRO 34 N -1.74 2.60 0.44 0.54 0.04 -1.26 -4.71 135.00 130.90 1b8q s PRO 34 Ca 0.00 -0.92 -0.21 0.00 0.04 0.00 0.00 61.00 59.91 1b8q s PRO 34 Cb 0.00 -2.56 -0.10 0.00 0.04 0.00 0.00 34.50 31.88 1b8q s PRO 34 CO 0.00 -0.61 0.97 0.54 0.04 0.00 0.00 177.00 177.94 1b8q s VAL 35 N -2.66 4.25 0.16 -0.36 0.11 -1.10 -4.52 120.40 116.28 1b8q s VAL 35 Ca 0.57 1.42 -0.05 0.00 -2.93 0.00 0.00 61.98 60.99 1b8q s VAL 35 Cb -0.10 -3.58 -0.03 0.00 -1.53 0.00 0.00 36.38 31.14 1b8q s VAL 35 CO 0.37 -0.29 0.18 -0.51 -3.33 0.00 0.00 175.10 171.52 1b8q s ILE 36 N -2.12 0.06 0.18 7.04 1.10 -0.91 -4.45 121.20 122.11 1b8q s ILE 36 Ca 0.63 -1.71 -0.23 0.00 -0.51 0.00 0.00 60.65 58.83 1b8q s ILE 36 Cb -0.11 -2.07 -0.08 0.00 0.15 0.00 0.00 42.46 40.35 1b8q s ILE 36 CO 0.15 -0.29 0.74 -0.63 -2.11 0.00 0.00 174.94 172.80 1b8q s ILE 37 N -4.04 4.47 -0.18 2.00 1.01 -1.26 0.43 121.20 123.64 1b8q s ILE 37 Ca 0.24 1.51 0.04 0.00 0.00 0.00 0.00 60.65 62.44 1b8q s ILE 37 Cb 0.05 -4.01 -0.13 0.00 0.01 0.00 0.00 42.46 38.38 1b8q s ILE 37 CO 0.04 0.41 -0.12 -0.24 0.00 0.00 0.00 174.94 175.03 1b8q n SER 38 N 1.29 2.32 -3.64 3.58 2.88 -0.97 -0.61 113.62 118.47 1b8q n SER 38 Ca -0.05 -0.08 -0.05 0.00 -1.33 0.00 0.00 58.87 57.36 1b8q n SER 38 Cb 0.50 -0.04 -0.07 0.00 -0.75 0.00 0.00 64.21 63.85 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 -5.57 -0.45 -1.05 -3.46 2.15 -1.26 -4.71 116.67 102.31 1b8q s ASP 39 Ca -0.21 0.79 -0.22 0.00 0.43 0.00 0.00 52.55 53.33 1b8q s ASP 39 Cb 0.06 0.99 -0.11 0.00 -0.30 0.00 0.00 42.92 43.56 1b8q s ASP 39 CO 0.46 -0.13 1.92 0.18 -0.17 0.00 0.00 175.17 177.44 1b8q n LEU 40 N 2.90 3.41 -0.27 -1.34 4.77 -1.26 0.49 117.00 125.71 1b8q n LEU 40 Ca -0.15 -3.09 -0.06 0.00 -0.03 0.00 0.00 56.01 52.68 1b8q n LEU 40 Cb 0.57 -1.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.08 1b8q n LEU 40 CO 0.02 -1.34 0.33 0.00 -1.33 0.00 0.00 177.39 175.07 1b8q n ILE 41 N 7.21 -0.42 -0.01 -0.08 0.13 0.12 -3.74 119.36 122.57 1b8q n ILE 41 Ca 0.46 1.55 -0.01 0.00 -1.10 0.00 0.00 62.75 63.66 1b8q n ILE 41 Cb 0.45 -1.95 -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 0.07 0.00 9.51 0.00 -1.18 -4.97 116.66 115.24 1b8q n ARG 42 Ca 0.02 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 58.06 1b8q n ARG 42 Cb 0.19 -0.79 0.00 0.00 0.00 0.00 0.00 32.46 31.86 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 0.83 0.04 5.14 0.00 -1.25 -4.96 105.19 106.62 1b8q n GLY 43 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.19 -0.57 0.00 -0.02 0.00 -1.26 -3.77 105.19 98.37 1b8q n GLY 44 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.25 0.00 0.23 4.61 0.00 -1.26 -4.20 120.51 117.64 1b8q n ALA 45 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 1b8q n ALA 45 Cb 0.68 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.07 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 -1.07 -0.92 0.00 0.00 -0.73 -1.92 119.26 112.62 1b8q h ALA 46 Ca 0.00 -0.14 0.26 0.00 0.00 0.00 0.00 54.91 55.03 1b8q h ALA 46 Cb 0.00 0.48 -0.14 0.00 0.00 0.00 0.00 17.79 18.13 1b8q h ALA 46 CO 0.00 -1.07 0.35 1.49 0.00 0.00 0.00 179.25 180.02 1b8q h GLU 47 N -0.70 0.25 -0.93 0.00 4.57 -1.80 0.90 114.58 116.87 1b8q h GLU 47 Ca -0.05 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1b8q h GLU 47 Cb 0.58 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.06 1b8q h GLU 47 CO 0.02 0.17 0.62 1.96 -1.18 0.00 0.00 179.01 180.59 1b8q h GLN 48 N 0.26 1.18 -0.65 1.92 1.08 -1.60 -1.72 115.11 115.59 1b8q h GLN 48 Ca 0.61 -0.07 0.08 0.00 -1.45 0.00 0.00 58.65 57.82 1b8q h GLN 48 Cb 1.28 -0.27 -0.07 0.00 -0.05 0.00 0.00 27.48 28.38 1b8q h GLN 48 CO -0.63 0.78 0.30 1.03 -0.95 0.00 0.00 178.83 179.36 1b8q h SER 49 N 1.22 0.39 0.00 1.46 0.87 0.16 -3.46 113.55 114.18 1b8q h SER 49 Ca 0.36 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1b8q h SER 49 Cb -0.06 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1b8q h SER 49 CO -0.09 0.23 0.00 0.61 -0.53 0.00 0.00 176.83 177.05 1b8q n GLY 50 N -1.29 3.26 0.03 5.77 0.00 -0.65 -3.64 105.19 108.67 1b8q n GLY 50 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 0.63 -4.89 0.99 -0.00 -1.26 -4.64 117.00 107.83 1b8q n LEU 51 Ca 0.00 -0.01 -0.33 0.00 -0.00 0.00 0.00 56.01 55.67 1b8q n LEU 51 Cb 0.00 -0.12 -0.05 0.00 -0.00 0.00 0.00 43.42 43.25 1b8q n LEU 51 CO 0.00 0.05 -0.01 -0.63 -0.00 0.00 0.00 177.39 176.81 1b8q s ILE 52 N -3.16 5.22 -0.22 1.47 1.09 -1.26 -4.76 121.20 119.59 1b8q s ILE 52 Ca 0.05 0.09 -0.32 0.00 -1.10 0.00 0.00 60.65 59.38 1b8q s ILE 52 Cb 0.15 -3.61 0.16 0.00 -1.06 0.00 0.00 42.46 38.09 1b8q s ILE 52 CO 0.78 0.18 1.22 -1.10 -0.10 0.00 0.00 174.94 175.92 1b8q s GLN 53 N -2.27 0.28 -0.01 2.79 -0.21 -1.26 -4.49 119.66 114.49 1b8q s GLN 53 Ca 0.35 -0.01 -0.30 0.00 0.02 0.00 0.00 55.36 55.42 1b8q s GLN 53 Cb -0.13 0.13 -0.06 0.00 1.00 0.00 0.00 33.01 33.96 1b8q s GLN 53 CO 0.22 -0.10 1.47 0.00 -2.12 0.00 0.00 175.29 174.75 1b8q s ALA 54 N -1.61 3.61 0.00 6.09 0.00 -1.26 -1.85 121.76 126.74 1b8q s ALA 54 Ca 0.07 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1b8q s ALA 54 Cb -0.01 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1b8q s ALA 54 CO -0.05 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1b8q n GLY 55 N 3.78 0.59 0.00 0.00 0.00 0.22 -4.93 105.19 104.84 1b8q n GLY 55 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.10 0.00 -3.58 1.61 9.92 -0.77 -4.93 116.55 118.69 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 0.05 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.49 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 -0.87 -0.44 0.53 1.09 -1.26 -4.96 121.20 115.28 1b8q s ILE 57 Ca 0.00 0.00 0.05 0.00 -1.10 0.00 0.00 60.65 59.60 1b8q s ILE 57 Cb 0.00 -1.00 0.18 0.00 -1.06 0.00 0.00 42.46 40.58 1b8q s ILE 57 CO 0.00 0.00 0.47 -0.51 -0.10 0.00 0.00 174.94 174.80 1b8q s ILE 58 N 2.79 -0.14 -0.03 2.92 1.10 -1.26 -4.77 121.20 121.81 1b8q s ILE 58 Ca -0.05 -2.00 -0.01 0.00 -0.51 0.00 0.00 60.65 58.08 1b8q s ILE 58 Cb -0.11 -0.81 -0.01 0.00 0.15 0.00 0.00 42.46 41.69 1b8q s ILE 58 CO -0.19 -0.80 0.13 0.25 -2.11 0.00 0.00 174.94 172.23 1b8q h LEU 59 N 5.54 -0.04 -9.20 8.50 5.85 -1.74 -3.37 115.31 120.85 1b8q h LEU 59 Ca 0.19 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 58.25 1b8q h LEU 59 Cb 0.98 0.01 -0.17 0.00 0.37 0.00 0.00 40.66 41.86 1b8q h LEU 59 CO 0.24 0.12 -0.76 0.00 -0.34 0.00 0.00 178.44 177.70 1b8q s ALA 60 N -2.97 2.81 -0.08 1.25 0.00 -1.04 -3.45 121.76 118.28 1b8q s ALA 60 Ca -0.01 -1.39 -0.18 0.00 0.00 0.00 0.00 51.96 50.38 1b8q s ALA 60 Cb 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 23.12 22.46 1b8q s ALA 60 CO 0.02 0.55 0.43 0.54 0.00 0.00 0.00 175.76 177.30 1b8q s VAL 61 N -1.38 0.03 -1.72 0.00 0.11 -1.17 -1.32 120.40 114.96 1b8q s VAL 61 Ca 0.21 -0.21 -0.18 0.00 -2.93 0.00 0.00 61.98 58.86 1b8q s VAL 61 Cb -0.10 -0.69 0.16 0.00 -1.53 0.00 0.00 36.38 34.22 1b8q s VAL 61 CO 0.12 -0.12 0.75 -0.46 -3.33 0.00 0.00 175.10 172.07 1b8q n ASN 62 N 1.78 -3.05 -2.28 3.54 0.23 0.27 0.11 115.26 115.86 1b8q n ASN 62 Ca -0.18 -1.04 -0.20 0.00 -0.53 0.00 0.00 54.58 52.63 1b8q n ASN 62 Cb 0.56 -2.64 -0.02 0.00 -2.08 0.00 0.00 39.78 35.60 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 -2.65 -5.61 -4.12 0.53 2.03 -1.26 -4.91 116.55 100.57 1b8q n ASP 63 Ca 0.07 0.08 -0.36 0.00 0.52 0.00 0.00 54.79 55.10 1b8q n ASP 63 Cb 0.49 -4.72 -0.12 0.00 -0.72 0.00 0.00 41.12 36.05 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 -4.83 2.03 -0.95 -0.67 1.81 0.30 -5.03 118.95 111.60 1b8q s ARG 64 Ca 0.00 -1.74 -0.26 0.00 -1.72 0.00 0.00 55.73 52.01 1b8q s ARG 64 Cb 0.00 -3.51 -0.16 0.00 -0.45 0.00 0.00 34.95 30.84 1b8q s ARG 64 CO 0.00 -1.00 2.20 -1.25 -0.68 0.00 0.00 175.30 174.57 1b8q s PRO 65 N 1.14 1.62 -1.46 3.54 0.04 -1.26 -3.02 135.00 135.60 1b8q s PRO 65 Ca 0.07 -0.11 -0.10 0.00 0.04 0.00 0.00 61.00 60.90 1b8q s PRO 65 Cb -0.22 -4.93 0.03 0.00 0.04 0.00 0.00 34.50 29.42 1b8q s PRO 65 CO -0.04 -4.71 2.48 1.28 0.04 0.00 0.00 177.00 176.05 1b8q n LEU 66 N 18.18 7.84 0.00 -3.56 4.32 -1.22 -3.93 117.00 138.62 1b8q n LEU 66 Ca 0.44 -4.50 0.00 0.00 -0.02 0.00 0.00 56.01 51.93 1b8q n LEU 66 Cb 0.45 -1.52 0.00 0.00 -1.62 0.00 0.00 43.42 40.73 1b8q n LEU 66 CO 0.58 1.75 -0.38 1.33 -1.22 0.00 0.00 177.39 179.45 1b8q n VAL 67 N 3.40 0.00 -2.18 4.08 0.24 -1.26 -2.72 118.33 119.89 1b8q n VAL 67 Ca 0.62 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.95 1b8q n VAL 67 Cb 0.29 -0.95 0.03 0.00 -1.47 0.00 0.00 33.84 31.74 1b8q n VAL 67 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1b8q n ASP 68 N -2.66 0.74 -4.87 -1.34 9.92 -1.26 -4.61 116.55 112.47 1b8q n ASP 68 Ca 0.00 -2.18 -0.21 0.00 -0.53 0.00 0.00 54.79 51.86 1b8q n ASP 68 Cb 0.38 -0.28 -0.03 0.00 -0.64 0.00 0.00 41.12 40.54 1b8q n ASP 68 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1b8q s LEU 69 N -0.36 3.32 -0.02 0.64 0.05 -1.25 -5.06 118.68 116.00 1b8q s LEU 69 Ca 0.21 -0.81 -0.30 0.00 0.05 0.00 0.00 54.13 53.28 1b8q s LEU 69 Cb 0.24 -1.93 -0.07 0.00 -2.05 0.00 0.00 46.19 42.37 1b8q s LEU 69 CO -0.09 -0.68 1.85 -0.44 -0.55 0.00 0.00 176.35 176.43 1b8q s SER 70 N -4.13 6.49 0.15 1.48 0.01 -1.26 -4.89 113.70 111.56 1b8q s SER 70 Ca 0.47 2.44 -0.16 0.00 1.31 0.00 0.00 55.95 60.01 1b8q s SER 70 Cb -0.02 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.73 1b8q s SER 70 CO 0.27 -1.04 1.76 0.22 0.41 0.00 0.00 173.24 174.85 1b8q h TYR 71 N 10.36 0.25 -0.02 2.43 3.20 -1.84 0.44 116.97 131.79 1b8q h TYR 71 Ca -0.45 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.34 1b8q h TYR 71 Cb 1.21 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 1b8q h TYR 71 CO 0.93 0.11 -0.47 -0.44 -1.64 0.00 0.00 178.16 176.66 1b8q h ASP 72 N 0.30 0.06 -0.14 -2.11 5.19 -1.92 -2.68 116.42 115.12 1b8q h ASP 72 Ca 0.16 -0.03 -0.15 0.00 -0.62 0.00 0.00 57.03 56.39 1b8q h ASP 72 Cb 0.11 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 39.61 1b8q h ASP 72 CO -0.15 0.52 -0.51 -1.28 -3.12 0.00 0.00 179.24 174.70 1b8q h SER 73 N 0.05 0.70 -0.92 6.45 0.87 -1.74 -2.10 113.55 116.86 1b8q h SER 73 Ca -0.00 -0.61 0.09 0.00 -1.23 0.00 0.00 61.79 60.04 1b8q h SER 73 Cb 0.85 -0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 62.53 1b8q h SER 73 CO 0.06 1.19 0.56 0.00 -0.53 0.00 0.00 176.83 178.12 1b8q h ALA 74 N 0.53 1.33 -0.15 6.23 0.00 0.00 0.31 119.26 127.51 1b8q h ALA 74 Ca -0.02 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1b8q h ALA 74 Cb 1.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1b8q h ALA 74 CO 0.11 0.22 -0.58 -0.07 0.00 0.00 0.00 179.25 178.93 1b8q h LEU 75 N 0.95 0.53 -0.07 0.00 3.38 -1.43 -2.22 115.31 116.45 1b8q h LEU 75 Ca 0.43 -0.29 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 1b8q h LEU 75 Cb 0.35 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1b8q h LEU 75 CO -0.23 1.00 -0.71 1.05 0.09 0.00 0.00 178.44 179.63 1b8q h GLU 76 N 0.36 0.60 -0.55 1.13 4.11 -0.59 0.34 114.58 119.98 1b8q h GLU 76 Ca -0.00 -0.56 -0.02 0.00 0.07 0.00 0.00 59.36 58.85 1b8q h GLU 76 Cb 1.12 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1b8q h GLU 76 CO 0.10 1.18 0.25 0.28 0.07 0.00 0.00 179.01 180.89 1b8q h VAL 77 N 0.23 1.19 0.00 -1.06 2.07 -0.44 -1.94 116.25 116.29 1b8q h VAL 77 Ca -0.07 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1b8q h VAL 77 Cb 1.37 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1b8q h VAL 77 CO 0.14 0.22 -0.73 0.17 0.02 0.00 0.00 177.57 177.40 1b8q h LEU 78 N 0.77 0.00 -0.74 2.57 8.10 -1.36 -3.32 115.31 121.33 1b8q h LEU 78 Ca 0.19 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 58.06 1b8q h LEU 78 Cb 0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.31 1b8q h LEU 78 CO -0.02 0.17 -0.28 0.03 -4.11 0.00 0.00 178.44 174.23 1b8q h ARG 79 N 0.00 0.66 -0.05 0.17 3.08 0.43 -2.75 114.38 115.92 1b8q h ARG 79 Ca -0.03 -0.28 0.02 0.00 0.07 0.00 0.00 59.98 59.76 1b8q h ARG 79 Cb 1.15 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 1b8q h ARG 79 CO 0.02 0.86 0.24 0.78 -1.07 0.00 0.00 179.97 180.80 1b8q h GLY 80 N 1.00 0.00 -7.00 0.04 0.00 -1.54 -3.41 103.07 92.16 1b8q h GLY 80 Ca 0.07 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.79 1b8q h GLY 80 CO 0.06 0.00 1.48 1.39 0.00 0.00 0.00 176.54 179.47 1b8q n ILE 81 N -3.11 0.27 0.00 2.60 5.41 -1.04 -4.95 119.36 118.54 1b8q n ILE 81 Ca -0.01 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.34 1b8q n ILE 81 Cb 0.31 -2.24 0.00 0.00 -0.71 0.00 0.00 39.64 37.00 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 11.17 0.00 -2.80 -1.39 0.00 -1.26 -4.75 120.51 121.49 1b8q n ALA 82 Ca 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.68 1b8q n ALA 82 Cb 0.37 0.00 0.04 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 -0.68 0.82 -2.74 0.00 7.64 -1.26 -4.49 113.62 112.90 1b8q n SER 83 Ca 0.00 -1.62 -0.10 0.00 1.01 0.00 0.00 58.87 58.16 1b8q n SER 83 Cb 0.00 -0.22 -0.01 0.00 -1.01 0.00 0.00 64.21 62.97 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 -1.66 -2.65 -4.46 1.43 -0.58 -1.26 -4.90 120.64 106.56 1b8q n GLU 84 Ca 0.07 0.24 -0.23 0.00 -0.42 0.00 0.00 57.16 56.82 1b8q n GLU 84 Cb 0.27 -4.80 -0.10 0.00 -0.57 0.00 0.00 31.44 26.23 1b8q n GLU 84 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1b8q s THR 85 N -2.39 2.28 0.53 2.62 -1.32 -1.26 -5.05 115.64 111.06 1b8q s THR 85 Ca 0.11 -2.33 0.09 0.00 -1.21 0.00 0.00 61.69 58.35 1b8q s THR 85 Cb -0.06 -2.33 0.06 0.00 -1.51 0.00 0.00 72.50 68.66 1b8q s THR 85 CO 0.14 -0.39 0.67 -1.00 -2.21 0.00 0.00 174.62 171.83 1b8q s HIS 86 N -2.62 1.75 -0.02 9.09 3.76 -1.26 -2.64 115.29 123.35 1b8q s HIS 86 Ca 0.29 -0.67 -0.14 0.00 -0.15 0.00 0.00 55.06 54.39 1b8q s HIS 86 Cb -0.03 -2.19 0.02 0.00 1.11 0.00 0.00 32.58 31.49 1b8q s HIS 86 CO 0.14 -0.87 0.30 0.54 -0.85 0.00 0.00 174.74 173.99 1b8q s VAL 87 N -2.62 0.06 0.24 -0.90 0.11 0.47 -4.69 120.40 113.07 1b8q s VAL 87 Ca 0.56 -0.46 0.08 0.00 -2.93 0.00 0.00 61.98 59.22 1b8q s VAL 87 Cb -0.06 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 1b8q s VAL 87 CO 0.35 -0.25 0.12 -0.69 -3.33 0.00 0.00 175.10 171.29 1b8q s VAL 88 N -1.25 4.13 0.15 2.04 1.01 -1.26 0.41 120.40 125.62 1b8q s VAL 88 Ca -0.13 -1.51 -0.17 0.00 0.00 0.00 0.00 61.98 60.17 1b8q s VAL 88 Cb -0.05 -3.20 0.04 0.00 0.00 0.00 0.00 36.38 33.17 1b8q s VAL 88 CO 0.04 -0.31 0.46 -1.48 0.00 0.00 0.00 175.10 173.81 1b8q s LEU 89 N -3.64 0.19 -0.06 3.92 2.34 0.29 0.97 118.68 122.69 1b8q s LEU 89 Ca 0.32 -0.33 0.01 0.00 0.06 0.00 0.00 54.13 54.19 1b8q s LEU 89 Cb -0.08 2.01 0.02 0.00 -0.56 0.00 0.00 46.19 47.58 1b8q s LEU 89 CO 0.23 -0.92 -0.06 -0.63 -1.06 0.00 0.00 176.35 173.91 1b8q s ILE 90 N -3.82 0.66 0.46 1.48 -1.09 -0.43 0.14 121.20 118.60 1b8q s ILE 90 Ca 0.05 -0.17 0.06 0.00 -2.23 0.00 0.00 60.65 58.35 1b8q s ILE 90 Cb 0.01 -0.68 0.02 0.00 -1.58 0.00 0.00 42.46 40.23 1b8q s ILE 90 CO -0.09 0.26 0.64 -0.76 -1.23 0.00 0.00 174.94 173.76 1b8q s LEU 91 N 1.02 3.53 0.25 2.97 1.43 0.11 -2.49 118.68 125.50 1b8q s LEU 91 Ca -0.09 -0.27 -0.21 0.00 -1.03 0.00 0.00 54.13 52.53 1b8q s LEU 91 Cb -0.14 -2.74 0.06 0.00 0.03 0.00 0.00 46.19 43.40 1b8q s LEU 91 CO -0.00 -0.89 0.90 0.00 0.23 0.00 0.00 176.35 176.58 1b8q s ARG 92 N -4.49 1.63 0.00 1.70 1.04 -1.26 -1.30 118.95 116.27 1b8q s ARG 92 Ca 0.56 -0.99 0.00 0.00 -1.04 0.00 0.00 55.73 54.25 1b8q s ARG 92 Cb -0.10 0.49 0.00 0.00 -2.04 0.00 0.00 34.95 33.30 1b8q s ARG 92 CO 0.35 -0.76 0.00 0.41 -0.04 0.00 0.00 175.30 175.26 1b8q n GLY 93 N -0.55 -0.51 0.00 3.88 0.00 -1.14 -4.61 105.19 102.26 1b8q n GLY 93 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1b8q n GLY 93 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1b8q n PRO 94 N 0.00 1.53 -3.70 1.61 -0.02 0.24 -4.50 135.00 130.16 1b8q n PRO 94 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1b8q n PRO 94 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.39 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 0.55 0.00 -0.52 2.02 -1.25 -3.68 118.70 115.82 1b8q s GLU 95 Ca 0.00 0.74 0.00 0.00 0.02 0.00 0.00 54.97 55.73 1b8q s GLU 95 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.44 1b8q s GLU 95 CO 0.00 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.60 1b8q n GLY 96 N 3.21 0.46 2.98 -1.39 0.00 -1.26 -4.97 105.19 104.22 1b8q n GLY 96 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.23 0.71 -0.35 1.61 0.40 -1.26 0.11 117.98 117.96 1b8q s PHE 97 Ca 0.00 -0.15 -0.20 0.00 -0.60 0.00 0.00 56.93 55.98 1b8q s PHE 97 Cb 0.00 -0.49 0.00 0.00 0.51 0.00 0.00 43.02 43.05 1b8q s PHE 97 CO 0.00 -0.04 0.62 0.95 0.70 0.00 0.00 175.22 177.44 1b8q s THR 98 N 0.01 4.91 -0.94 0.64 -4.23 0.44 -4.50 115.64 111.98 1b8q s THR 98 Ca 0.00 0.55 -0.24 0.00 -1.18 0.00 0.00 61.69 60.82 1b8q s THR 98 Cb -0.05 -4.06 0.04 0.00 1.34 0.00 0.00 72.50 69.77 1b8q s THR 98 CO -0.00 -0.30 1.42 0.28 -0.54 0.00 0.00 174.62 175.48 1b8q s THR 99 N 2.66 3.84 0.16 3.99 -1.32 -1.25 0.66 115.64 124.39 1b8q s THR 99 Ca 0.24 -0.42 0.03 0.00 -1.21 0.00 0.00 61.69 60.33 1b8q s THR 99 Cb -0.15 -4.98 -0.04 0.00 -1.51 0.00 0.00 72.50 65.83 1b8q s THR 99 CO 0.15 -1.87 0.26 -1.38 -2.21 0.00 0.00 174.62 169.56 1b8q s HIS 100 N 5.39 3.41 0.55 9.09 -3.43 0.36 -4.71 115.29 125.95 1b8q s HIS 100 Ca 0.44 0.08 -0.08 0.00 -0.80 0.00 0.00 55.06 54.70 1b8q s HIS 100 Cb -0.03 -1.62 0.12 0.00 -1.43 0.00 0.00 32.58 29.62 1b8q s HIS 100 CO -0.03 0.51 0.27 1.28 -2.00 0.00 0.00 174.74 174.78 1b8q n LEU 101 N -0.58 0.00 -1.96 5.38 4.77 -1.26 0.32 117.00 123.67 1b8q n LEU 101 Ca -0.07 -0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 55.62 1b8q n LEU 101 Cb 0.54 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1b8q n LEU 101 CO 0.47 -1.92 -0.23 1.21 -1.33 0.00 0.00 177.39 175.59 1b8q n GLU 102 N -2.01 -1.57 -1.96 3.23 4.07 -1.26 -4.25 120.64 116.89 1b8q n GLU 102 Ca 0.04 1.52 -0.38 0.00 -0.06 0.00 0.00 57.16 58.29 1b8q n GLU 102 Cb 0.19 -2.69 0.02 0.00 -0.06 0.00 0.00 31.44 28.91 1b8q n GLU 102 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1b8q s THR 103 N -0.49 2.45 -0.00 6.31 2.01 -1.26 -4.23 115.64 120.43 1b8q s THR 103 Ca -0.05 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.29 1b8q s THR 103 Cb 0.00 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.35 1b8q s THR 103 CO 0.31 -0.00 0.73 0.41 -0.69 0.00 0.00 174.62 175.38 1b8q n THR 104 N -0.83 0.05 -1.48 -0.82 -1.04 -1.26 -5.02 114.28 103.87 1b8q n THR 104 Ca 0.09 -0.05 -0.59 0.00 -2.04 0.00 0.00 64.05 61.46 1b8q n THR 104 Cb 0.46 0.76 -0.09 0.00 -1.82 0.00 0.00 70.33 69.63 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 -0.03 1.56 -2.16 -1.42 -1.74 -1.26 -4.94 117.46 107.47 1b8q n PHE 105 Ca 0.00 0.67 0.00 0.00 -0.56 0.00 0.00 57.45 57.56 1b8q n PHE 105 Cb 0.58 -2.37 0.00 0.00 1.52 0.00 0.00 39.48 39.21 1b8q n PHE 105 CO 0.00 0.00 0.00 -2.37 -0.56 0.00 0.00 176.76 173.83 1b8q n THR 106 N 5.84 0.00 -1.60 1.97 5.66 -1.26 -4.88 114.28 120.00 1b8q n THR 106 Ca 0.41 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 61.03 1b8q n THR 106 Cb 0.06 -1.20 -0.03 0.00 -1.55 0.00 0.00 70.33 67.61 1b8q n THR 106 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1b8q s GLY 107 N -1.67 -0.07 -0.93 1.09 0.00 -1.26 -3.24 107.32 101.25 1b8q s GLY 107 Ca 0.00 0.26 -0.06 0.00 0.00 0.00 0.00 44.72 44.92 1b8q s GLY 107 CO 0.00 3.98 0.78 1.34 0.00 0.00 0.00 173.10 179.21 1b8q n ASP 108 N 14.24 -6.68 0.00 1.64 -0.08 -1.26 -4.97 116.55 119.43 1b8q n ASP 108 Ca 0.33 -0.55 0.00 0.00 -1.51 0.00 0.00 54.79 53.06 1b8q n ASP 108 Cb 0.51 -4.58 0.00 0.00 2.34 0.00 0.00 41.12 39.39 1b8q n ASP 108 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1b8q n GLY 109 N -1.56 0.34 2.66 0.27 0.00 -1.20 -5.01 105.19 100.69 1b8q n GLY 109 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1b8q n GLY 109 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1b8q n THR 110 N -0.19 2.73 -2.17 2.61 -1.04 -1.26 -3.75 114.28 111.22 1b8q n THR 110 Ca 0.00 -5.17 -0.31 0.00 -2.04 0.00 0.00 64.05 56.53 1b8q n THR 110 Cb 0.00 -1.32 -0.05 0.00 -1.82 0.00 0.00 70.33 67.14 1b8q n THR 110 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1b8q n PRO 111 N -0.39 1.92 -3.90 -2.82 -0.04 -1.26 -4.31 135.00 124.19 1b8q n PRO 111 Ca 0.37 -2.63 -0.15 0.00 -0.04 0.00 0.00 63.50 61.05 1b8q n PRO 111 Cb 0.54 -3.69 -0.04 0.00 -0.04 0.00 0.00 33.50 30.28 1b8q n PRO 111 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1b8q n LYS 112 N 8.29 0.63 -1.06 0.54 4.01 -1.26 -4.80 118.16 124.51 1b8q n LYS 112 Ca 0.46 -2.74 -0.09 0.00 -0.51 0.00 0.00 58.31 55.42 1b8q n LYS 112 Cb 0.46 2.58 0.28 0.00 -0.51 0.00 0.00 35.03 37.84 1b8q n LYS 112 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1b8q n THR 113 N -0.56 2.96 -2.80 -0.18 5.66 -1.24 -4.91 114.28 113.22 1b8q n THR 113 Ca 0.02 -1.65 -0.20 0.00 -3.05 0.00 0.00 64.05 59.17 1b8q n THR 113 Cb 0.56 -0.39 0.03 0.00 -1.55 0.00 0.00 70.33 68.98 1b8q n THR 113 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1b8q s ILE 114 N -3.00 2.93 0.41 1.09 -5.25 -1.26 -4.97 121.20 111.15 1b8q s ILE 114 Ca 0.55 -0.75 -0.22 0.00 -0.99 0.00 0.00 60.65 59.24 1b8q s ILE 114 Cb 0.44 -3.06 -0.10 0.00 2.95 0.00 0.00 42.46 42.69 1b8q s ILE 114 CO 0.13 -0.04 0.96 -0.13 -1.79 0.00 0.00 174.94 174.07 1b8q s ARG 115 N -4.61 4.28 0.09 0.37 0.52 -1.26 -4.67 118.95 113.66 1b8q s ARG 115 Ca 0.55 1.20 -0.30 0.00 -0.52 0.00 0.00 55.73 56.66 1b8q s ARG 115 Cb -0.10 -2.33 -0.05 0.00 0.52 0.00 0.00 34.95 32.99 1b8q s ARG 115 CO 0.37 0.01 1.01 0.08 0.02 0.00 0.00 175.30 176.78 1b8q s VAL 116 N -2.02 4.47 0.08 3.52 1.01 0.15 -4.58 120.40 123.03 1b8q s VAL 116 Ca 0.60 1.95 -0.22 0.00 0.00 0.00 0.00 61.98 64.31 1b8q s VAL 116 Cb -0.12 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 31.94 1b8q s VAL 116 CO 0.16 0.25 0.64 0.28 0.00 0.00 0.00 175.10 176.44 1b8q s THR 117 N 0.34 4.68 -0.04 3.92 -1.32 -1.25 0.13 115.64 122.11 1b8q s THR 117 Ca 0.50 1.38 0.03 0.00 -1.21 0.00 0.00 61.69 62.39 1b8q s THR 117 Cb -0.24 -3.98 0.00 0.00 -1.51 0.00 0.00 72.50 66.77 1b8q s THR 117 CO 0.30 0.50 -0.13 0.00 -2.21 0.00 0.00 174.62 173.08 1b8q s GLN 118 N -0.82 1.43 -0.44 7.08 1.03 0.21 -4.70 119.66 123.46 1b8q s GLN 118 Ca 0.32 -0.46 -0.36 0.00 0.04 0.00 0.00 55.36 54.89 1b8q s GLN 118 Cb -0.20 -1.27 -0.16 0.00 0.03 0.00 0.00 33.01 31.41 1b8q s GLN 118 CO 0.21 0.17 1.82 -2.30 -2.54 0.00 0.00 175.29 172.64 1b8q n PRO 119 N 3.27 0.00 -0.12 9.60 -0.02 -1.25 0.17 135.00 146.65 1b8q n PRO 119 Ca -0.19 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.14 1b8q n PRO 119 Cb 0.53 -1.26 -0.12 0.00 -0.02 0.00 0.00 33.50 32.64 1b8q n PRO 119 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1b8q n LEU 120 N 6.41 2.39 -2.73 2.45 -0.00 0.30 -4.78 117.00 121.04 1b8q n LEU 120 Ca 0.47 -0.10 -0.00 0.00 -0.00 0.00 0.00 56.01 56.37 1b8q n LEU 120 Cb -0.03 -0.59 -0.00 0.00 -0.00 0.00 0.00 43.42 42.80 1b8q n LEU 120 CO 0.74 0.82 -0.51 0.61 -0.00 0.00 0.00 177.39 179.05 1b8q n GLY 121 N 2.24 -4.26 3.72 1.47 0.00 -1.16 -4.94 105.19 102.27 1b8q n GLY 121 Ca -0.40 0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.57 2.38 0.50 1.61 0.02 -1.26 -5.02 135.00 131.65 1b8q s PRO 122 Ca -0.01 2.00 -0.09 0.00 0.02 0.00 0.00 61.00 62.92 1b8q s PRO 122 Cb 0.00 -1.83 0.12 0.00 0.02 0.00 0.00 34.50 32.81 1b8q s PRO 122 CO 0.77 -1.72 0.56 -0.35 -0.33 0.00 0.00 177.00 175.93 1b8q n PRO 123 N -2.18 -1.28 -2.89 5.54 -0.04 -1.26 -4.75 135.00 128.13 1b8q n PRO 123 Ca 0.15 -0.87 -0.10 0.00 -0.04 0.00 0.00 63.50 62.64 1b8q n PRO 123 Cb 0.49 -0.69 0.01 0.00 -0.04 0.00 0.00 33.50 33.27 1b8q n PRO 123 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1b8q n THR 124 N -3.21-10.59 -2.37 0.52 -1.04 -1.26 -4.96 114.28 91.37 1b8q n THR 124 Ca 0.07 0.89 -0.28 0.00 -2.04 0.00 0.00 64.05 62.69 1b8q n THR 124 Cb 0.27 -6.98 0.01 0.00 -1.82 0.00 0.00 70.33 61.80 1b8q n THR 124 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1b8q n LYS 125 N -0.22 3.35 -0.50 -2.82 2.85 -1.26 -4.74 118.16 114.82 1b8q n LYS 125 Ca 0.10 -4.35 0.05 0.00 -1.05 0.00 0.00 58.31 53.05 1b8q n LYS 125 Cb 0.45 -2.25 0.25 0.00 -0.65 0.00 0.00 35.03 32.82 1b8q n LYS 125 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1b8q n ALA 126 N -0.51 3.17 1.93 0.58 0.00 -1.26 -5.29 120.51 119.13 1b8q n ALA 126 Ca 0.41 -1.12 0.15 0.00 0.00 0.00 0.00 53.44 52.89 1b8q n ALA 126 Cb 0.63 -1.06 0.92 0.00 0.00 0.00 0.00 19.45 19.94 1b8q n ALA 126 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83