#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v8i s THR 12 N 0.00 5.34 -0.14 5.15 2.01 0.50 -4.88 115.64 123.62 1v8i s THR 12 Ca 0.00 0.39 -0.18 0.00 0.31 0.00 0.00 61.69 62.22 1v8i s THR 12 Cb 0.00 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1v8i s THR 12 CO 0.00 0.39 0.46 -0.31 -0.69 0.00 0.00 174.62 174.47 1v8i s TYR 13 N 0.55 3.47 -0.06 4.92 1.51 -1.26 0.12 117.35 126.60 1v8i s TYR 13 Ca 0.13 0.81 0.18 0.00 -1.01 0.00 0.00 57.07 57.18 1v8i s TYR 13 Cb -0.12 -2.55 -0.28 0.00 -0.11 0.00 0.00 41.96 38.90 1v8i s TYR 13 CO 0.02 0.11 0.42 1.28 -1.11 0.00 0.00 175.55 176.27 1v8i n LEU 14 N 3.92 0.04 -3.64 -1.29 4.77 0.57 -4.98 117.00 116.39 1v8i n LEU 14 Ca -0.07 -0.02 -0.07 0.00 -0.03 0.00 0.00 56.01 55.81 1v8i n LEU 14 Cb 0.51 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 1v8i n LEU 14 CO 0.42 0.01 0.39 -0.47 -1.33 0.00 0.00 177.39 176.41 1v8i s TYR 15 N -3.25 -1.00 -0.34 -1.77 5.04 -0.98 -4.95 117.35 110.11 1v8i s TYR 15 Ca -0.06 2.02 0.04 0.00 -2.44 0.00 0.00 57.07 56.62 1v8i s TYR 15 Cb 0.12 0.58 0.10 0.00 0.35 0.00 0.00 41.96 43.11 1v8i s TYR 15 CO 0.76 -0.49 0.05 1.03 -1.34 0.00 0.00 175.55 175.56 1v8i s ARG 16 N 1.51 1.51 0.00 4.97 0.52 -1.26 -0.14 118.95 126.06 1v8i s ARG 16 Ca -0.09 -1.87 0.00 0.00 -0.52 0.00 0.00 55.73 53.25 1v8i s ARG 16 Cb -0.05 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.21 1v8i s ARG 16 CO -0.18 -0.93 0.00 0.41 0.02 0.00 0.00 175.30 174.62 1v8i n GLY 17 N 4.26 2.99 0.14 -3.53 0.00 0.39 -5.01 105.19 104.43 1v8i n GLY 17 Ca 0.03 -1.99 -0.04 0.00 0.00 0.00 0.00 46.02 44.02 1v8i n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1v8i h ARG 18 N 0.00 -0.24 -0.21 1.61 3.08 -2.01 -3.40 114.38 113.21 1v8i h ARG 18 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1v8i h ARG 18 Cb 0.00 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1v8i h ARG 18 CO 0.00 -0.16 0.00 0.44 -1.07 0.00 0.00 179.97 179.18 1v8i n ILE 19 N -4.85 0.51 -3.47 2.04 -5.35 -1.26 -5.03 119.36 101.96 1v8i n ILE 19 Ca -0.03 -0.75 -0.14 0.00 -0.27 0.00 0.00 62.75 61.56 1v8i n ILE 19 Cb 0.10 0.87 -0.03 0.00 -1.74 0.00 0.00 39.64 38.84 1v8i n ILE 19 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 1v8i s LEU 20 N -1.02 -0.51 -0.00 7.28 0.05 -1.26 -4.07 118.68 119.15 1v8i s LEU 20 Ca 0.20 0.17 0.05 0.00 0.05 0.00 0.00 54.13 54.61 1v8i s LEU 20 Cb 0.12 2.51 -0.01 0.00 -2.05 0.00 0.00 46.19 46.76 1v8i s LEU 20 CO 0.17 -0.86 -0.15 0.20 -0.55 0.00 0.00 176.35 175.17 1v8i s ASN 21 N -2.31 1.71 -0.21 1.48 0.01 -0.62 -0.46 114.94 114.53 1v8i s ASN 21 Ca -0.02 -0.29 -0.05 0.00 -0.71 0.00 0.00 52.86 51.79 1v8i s ASN 21 Cb -0.01 -0.18 -0.02 0.00 0.41 0.00 0.00 41.25 41.45 1v8i s ASN 21 CO -0.06 0.16 0.01 -0.22 -1.51 0.00 0.00 177.10 175.48 1v8i s LEU 22 N -0.44 3.25 0.29 0.60 2.96 0.81 -0.28 118.68 125.87 1v8i s LEU 22 Ca 0.05 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 1v8i s LEU 22 Cb -0.06 -1.83 -0.06 0.00 0.50 0.00 0.00 46.19 44.74 1v8i s LEU 22 CO -0.00 0.03 0.08 0.00 -1.32 0.00 0.00 176.35 175.14 1v8i s ALA 23 N 1.19 2.02 -0.03 5.97 0.00 0.83 -0.32 121.76 131.42 1v8i s ALA 23 Ca 0.03 -1.93 0.01 0.00 0.00 0.00 0.00 51.96 50.08 1v8i s ALA 23 Cb -0.14 0.89 0.01 0.00 0.00 0.00 0.00 23.12 23.88 1v8i s ALA 23 CO 0.01 -0.40 -0.05 -0.51 0.00 0.00 0.00 175.76 174.81 1v8i s LEU 24 N -3.39 1.57 -0.66 0.00 1.43 0.12 -0.79 118.68 116.96 1v8i s LEU 24 Ca 0.37 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1v8i s LEU 24 Cb 0.08 -0.41 0.36 0.00 0.03 0.00 0.00 46.19 46.25 1v8i s LEU 24 CO 0.15 -0.01 1.30 -0.62 0.23 0.00 0.00 176.35 177.40 1v8i n GLU 25 N 3.64 3.64 0.00 1.70 1.02 -0.21 -0.37 120.64 130.06 1v8i n GLU 25 Ca -0.21 -4.55 0.00 0.00 -0.02 0.00 0.00 57.16 52.38 1v8i n GLU 25 Cb 0.53 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 1v8i n GLU 25 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v8i n GLY 26 N -0.32 2.15 0.08 0.62 0.00 -1.26 -3.91 105.19 102.55 1v8i n GLY 26 Ca 0.39 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1v8i n GLY 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1v8i n ARG 27 N 0.00 0.86 -2.45 1.61 0.63 -1.26 -5.00 116.66 111.05 1v8i n ARG 27 Ca 0.00 0.06 -0.42 0.00 -0.92 0.00 0.00 57.85 56.58 1v8i n ARG 27 Cb 0.00 -1.33 -0.03 0.00 0.45 0.00 0.00 32.46 31.55 1v8i n ARG 27 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1v8i s TYR 28 N -2.33 3.46 -0.34 -0.14 1.51 -1.25 -5.01 117.35 113.25 1v8i s TYR 28 Ca -0.18 1.35 -0.17 0.00 -1.01 0.00 0.00 57.07 57.06 1v8i s TYR 28 Cb 0.05 -3.39 -0.01 0.00 -0.11 0.00 0.00 41.96 38.50 1v8i s TYR 28 CO 0.43 -1.15 0.47 -1.21 -1.11 0.00 0.00 175.55 172.98 1v8i s GLU 29 N 0.97 3.66 -0.13 -0.62 2.02 -1.26 -1.05 118.70 122.29 1v8i s GLU 29 Ca 0.58 -0.17 0.01 0.00 0.02 0.00 0.00 54.97 55.41 1v8i s GLU 29 Cb -0.29 -3.79 -0.01 0.00 0.10 0.00 0.00 34.13 30.14 1v8i s GLU 29 CO 0.29 -0.58 -0.16 0.42 0.02 0.00 0.00 175.26 175.25 1v8i s ILE 30 N 2.29 2.72 -0.38 -1.63 -1.09 0.03 -4.72 121.20 118.43 1v8i s ILE 30 Ca 0.17 -0.78 -0.10 0.00 -2.23 0.00 0.00 60.65 57.72 1v8i s ILE 30 Cb -0.16 -2.12 0.04 0.00 -1.58 0.00 0.00 42.46 38.65 1v8i s ILE 30 CO 0.12 0.53 0.20 -0.69 -1.23 0.00 0.00 174.94 173.87 1v8i s VAL 31 N 0.42 4.31 0.21 2.92 1.01 0.34 -0.12 120.40 129.49 1v8i s VAL 31 Ca -0.12 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 1v8i s VAL 31 Cb -0.16 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 1v8i s VAL 31 CO 0.06 -0.29 1.03 -1.61 0.00 0.00 0.00 175.10 174.28 1v8i s GLU 32 N 1.49 4.70 -0.07 2.72 2.02 0.61 -2.99 118.70 127.19 1v8i s GLU 32 Ca 0.01 1.63 -0.10 0.00 0.02 0.00 0.00 54.97 56.53 1v8i s GLU 32 Cb -0.20 -3.27 0.02 0.00 0.10 0.00 0.00 34.13 30.78 1v8i s GLU 32 CO 0.05 0.27 0.26 -1.58 0.02 0.00 0.00 175.26 174.27 1v8i s HIS 33 N -0.71 -0.22 0.57 1.61 2.46 -1.26 -1.59 115.29 116.15 1v8i s HIS 33 Ca 0.45 0.49 -0.20 0.00 0.47 0.00 0.00 55.06 56.27 1v8i s HIS 33 Cb -0.28 0.08 -0.04 0.00 -0.13 0.00 0.00 32.58 32.21 1v8i s HIS 33 CO 0.35 -0.21 1.28 0.15 -2.47 0.00 0.00 174.74 173.83 1v8i s LYS 34 N -0.39 3.06 0.85 2.88 1.02 -1.26 -4.28 119.74 121.61 1v8i s LYS 34 Ca -0.05 2.02 -0.11 0.00 0.02 0.00 0.00 55.97 57.86 1v8i s LYS 34 Cb -0.03 -2.10 0.10 0.00 -0.52 0.00 0.00 37.83 35.28 1v8i s LYS 34 CO 0.01 -1.19 1.10 -1.25 -0.92 0.00 0.00 175.35 173.10 1v8i s PRO 35 N -3.09 1.63 0.30 -1.68 0.04 -1.26 -4.56 135.00 126.37 1v8i s PRO 35 Ca 0.74 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.91 1v8i s PRO 35 Cb -0.35 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1v8i s PRO 35 CO 0.40 -2.06 0.11 0.00 0.04 0.00 0.00 177.00 175.49 1v8i s ALA 36 N -2.86 2.01 0.12 8.56 0.00 0.69 -1.71 121.76 128.57 1v8i s ALA 36 Ca 0.63 -1.80 0.04 0.00 0.00 0.00 0.00 51.96 50.83 1v8i s ALA 36 Cb -0.19 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 1v8i s ALA 36 CO 0.57 -0.44 -0.10 0.14 0.00 0.00 0.00 175.76 175.93 1v8i s VAL 37 N -3.59 1.05 -0.06 0.00 -7.23 -0.11 -0.48 120.40 109.98 1v8i s VAL 37 Ca 0.36 -1.84 -0.07 0.00 -1.81 0.00 0.00 61.98 58.62 1v8i s VAL 37 Cb 0.07 -1.60 0.02 0.00 0.56 0.00 0.00 36.38 35.42 1v8i s VAL 37 CO 0.15 -0.65 0.18 0.00 -0.31 0.00 0.00 175.10 174.48 1v8i s ALA 38 N -2.87 -0.45 -0.17 1.32 0.00 -0.37 -2.13 121.76 117.09 1v8i s ALA 38 Ca 0.11 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.54 1v8i s ALA 38 Cb -0.00 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1v8i s ALA 38 CO 0.00 -0.10 -0.18 0.08 0.00 0.00 0.00 175.76 175.55 1v8i s VAL 39 N -0.08 1.91 -0.24 0.00 1.01 0.21 -0.68 120.40 122.53 1v8i s VAL 39 Ca -0.02 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 1v8i s VAL 39 Cb -0.02 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1v8i s VAL 39 CO 0.00 0.52 0.38 -0.63 0.00 0.00 0.00 175.10 175.37 1v8i s ILE 40 N 1.30 5.19 -0.03 2.22 1.01 0.76 -3.98 121.20 127.67 1v8i s ILE 40 Ca 0.04 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.31 1v8i s ILE 40 Cb -0.13 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.66 1v8i s ILE 40 CO -0.11 0.21 -0.00 0.00 0.00 0.00 0.00 174.94 175.03 1v8i s ALA 41 N 1.68 0.37 -0.05 9.38 0.00 -1.26 -0.39 121.76 131.50 1v8i s ALA 41 Ca 0.17 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.32 1v8i s ALA 41 Cb -0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1v8i s ALA 41 CO 0.09 -0.10 -0.25 -1.17 0.00 0.00 0.00 175.76 174.32 1v8i s LEU 42 N 1.09 2.06 -0.17 0.00 2.96 -1.26 -1.21 118.68 122.15 1v8i s LEU 42 Ca -0.09 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.26 1v8i s LEU 42 Cb -0.14 -1.35 0.08 0.00 0.50 0.00 0.00 46.19 45.28 1v8i s LEU 42 CO -0.02 0.27 0.38 -0.60 -1.32 0.00 0.00 176.35 175.06 1v8i s ARG 43 N -0.30 0.30 -1.46 1.98 3.52 0.02 -4.90 118.95 118.11 1v8i s ARG 43 Ca 0.01 0.91 -0.10 0.00 -0.13 0.00 0.00 55.73 56.41 1v8i s ARG 43 Cb -0.12 0.17 0.05 0.00 -1.56 0.00 0.00 34.95 33.48 1v8i s ARG 43 CO 0.02 -0.23 0.87 0.39 -0.81 0.00 0.00 175.30 175.54 1v8i n GLU 44 N 5.09 -5.61 -0.75 5.12 1.02 -1.26 -1.13 120.64 123.12 1v8i n GLU 44 Ca -0.12 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1v8i n GLU 44 Cb 0.51 -5.59 0.00 0.00 -0.02 0.00 0.00 31.44 26.34 1v8i n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v8i n GLY 45 N -1.65 1.35 3.77 0.62 0.00 -1.26 -5.01 105.19 103.01 1v8i n GLY 45 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1v8i n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1v8i s ARG 46 N -0.05 3.23 0.03 1.61 0.52 -0.28 -4.31 118.95 119.70 1v8i s ARG 46 Ca 0.00 -0.28 -0.07 0.00 -0.52 0.00 0.00 55.73 54.86 1v8i s ARG 46 Cb 0.00 -2.98 -0.05 0.00 0.52 0.00 0.00 34.95 32.44 1v8i s ARG 46 CO 0.00 0.72 0.30 1.41 0.02 0.00 0.00 175.30 177.75 1v8i s MET 47 N -0.89 3.62 -0.87 3.54 -2.45 0.80 -0.80 119.30 122.25 1v8i s MET 47 Ca 0.14 -0.03 -0.22 0.00 -1.25 0.00 0.00 55.69 54.32 1v8i s MET 47 Cb -0.12 -3.05 0.07 0.00 1.25 0.00 0.00 34.83 32.99 1v8i s MET 47 CO 0.03 0.62 1.23 -1.17 1.05 0.00 0.00 175.02 176.78 1v8i s LEU 48 N -1.86 4.05 0.28 4.11 2.96 -0.35 -1.38 118.68 126.48 1v8i s LEU 48 Ca 0.30 -1.34 0.05 0.00 -0.22 0.00 0.00 54.13 52.92 1v8i s LEU 48 Cb -0.13 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.04 1v8i s LEU 48 CO 0.17 -1.43 0.41 -0.36 -1.32 0.00 0.00 176.35 173.82 1v8i s PHE 49 N 4.29 3.34 0.03 5.38 0.40 -0.36 -4.23 117.98 126.84 1v8i s PHE 49 Ca 0.35 -0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.62 1v8i s PHE 49 Cb -0.06 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 1v8i s PHE 49 CO -0.01 0.27 -0.05 0.14 0.70 0.00 0.00 175.22 176.28 1v8i s VAL 50 N -2.06 0.27 0.03 -0.44 -7.23 0.14 0.01 120.40 111.12 1v8i s VAL 50 Ca 0.38 -1.06 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 1v8i s VAL 50 Cb -0.09 -0.50 -0.02 0.00 0.56 0.00 0.00 36.38 36.33 1v8i s VAL 50 CO 0.30 -0.51 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.37 1v8i s ARG 51 N -1.74 0.55 0.04 4.82 0.52 -0.18 -1.54 118.95 121.41 1v8i s ARG 51 Ca -0.12 -0.61 -0.25 0.00 -0.52 0.00 0.00 55.73 54.23 1v8i s ARG 51 Cb -0.08 -0.40 0.06 0.00 0.52 0.00 0.00 34.95 35.05 1v8i s ARG 51 CO -0.01 0.09 0.57 1.14 0.02 0.00 0.00 175.30 177.11 1v8i s GLN 52 N -1.16 1.08 0.07 3.54 -2.07 -1.26 -0.68 119.66 119.19 1v8i s GLN 52 Ca -0.05 -0.14 -0.31 0.00 -1.82 0.00 0.00 55.36 53.04 1v8i s GLN 52 Cb -0.08 0.50 -0.07 0.00 -1.09 0.00 0.00 33.01 32.27 1v8i s GLN 52 CO 0.00 -0.39 1.48 1.41 -1.32 0.00 0.00 175.29 176.47 1v8i s MET 53 N -2.30 4.27 -0.45 9.60 -2.45 -1.26 -4.30 119.30 122.41 1v8i s MET 53 Ca -0.06 2.14 -0.01 0.00 -1.25 0.00 0.00 55.69 56.51 1v8i s MET 53 Cb -0.01 -3.43 0.12 0.00 1.25 0.00 0.00 34.83 32.77 1v8i s MET 53 CO -0.00 -0.58 0.22 1.03 1.05 0.00 0.00 175.02 176.74 1v8i s ARG 54 N 1.90 1.99 0.57 4.11 1.81 -1.02 -4.97 118.95 123.34 1v8i s ARG 54 Ca 0.67 -2.06 0.28 0.00 -1.72 0.00 0.00 55.73 52.90 1v8i s ARG 54 Cb -0.37 -3.50 1.50 0.00 -0.45 0.00 0.00 34.95 32.14 1v8i s ARG 54 CO 0.30 -1.07 1.98 -1.00 -0.68 0.00 0.00 175.30 174.83 1v8i h PRO 55 N 7.58 0.00 -0.07 3.54 0.13 -1.93 0.91 132.00 142.16 1v8i h PRO 55 Ca -0.08 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.00 1v8i h PRO 55 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1v8i h PRO 55 CO 0.66 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 178.24 1v8i h ALA 56 N 1.64 1.56 0.00 -0.56 0.00 -1.94 -3.18 119.26 116.77 1v8i h ALA 56 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1v8i h ALA 56 Cb 0.95 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1v8i h ALA 56 CO -0.00 0.32 -0.45 1.33 0.00 0.00 0.00 179.25 180.45 1v8i n VAL 57 N -4.26 0.00 -1.09 0.00 0.24 -0.36 -5.01 118.33 107.84 1v8i n VAL 57 Ca -0.02 -0.31 -0.03 0.00 -2.04 0.00 0.00 64.34 61.94 1v8i n VAL 57 Cb 0.28 0.92 -0.01 0.00 -1.47 0.00 0.00 33.84 33.56 1v8i n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1v8i n GLY 58 N 1.27 0.63 3.72 7.63 0.00 0.17 -4.99 105.19 113.63 1v8i n GLY 58 Ca 0.01 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1v8i n GLY 58 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1v8i s LEU 59 N -0.74 0.18 -0.48 0.99 0.05 -1.23 -4.98 118.68 112.47 1v8i s LEU 59 Ca 0.00 -1.04 -0.05 0.00 0.05 0.00 0.00 54.13 53.09 1v8i s LEU 59 Cb 0.00 2.38 0.13 0.00 -2.05 0.00 0.00 46.19 46.65 1v8i s LEU 59 CO 0.00 -1.44 0.31 0.00 -0.55 0.00 0.00 176.35 174.67 1v8i s ALA 60 N -3.14 3.33 0.71 1.48 0.00 -1.26 -2.43 121.76 120.46 1v8i s ALA 60 Ca 0.18 -2.71 -0.11 0.00 0.00 0.00 0.00 51.96 49.32 1v8i s ALA 60 Cb -0.04 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.50 1v8i s ALA 60 CO 0.12 -1.91 1.07 -1.25 0.00 0.00 0.00 175.76 173.79 1v8i s PRO 61 N 0.92 2.79 -0.28 0.00 0.04 -1.26 -4.77 135.00 132.44 1v8i s PRO 61 Ca 0.10 0.75 -0.28 0.00 0.04 0.00 0.00 61.00 61.61 1v8i s PRO 61 Cb -0.23 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.33 1v8i s PRO 61 CO -0.03 -1.15 0.99 -1.17 0.04 0.00 0.00 177.00 175.68 1v8i s LEU 62 N -5.52 4.03 0.00 -3.56 2.96 0.99 -4.53 118.68 113.05 1v8i s LEU 62 Ca 0.58 1.08 0.02 0.00 -0.22 0.00 0.00 54.13 55.59 1v8i s LEU 62 Cb -0.13 -3.42 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 1v8i s LEU 62 CO 0.54 -0.73 0.06 -0.62 -1.32 0.00 0.00 176.35 174.28 1v8i n GLU 63 N 6.49 0.83 -4.44 1.98 1.02 -0.59 -2.03 120.64 123.90 1v8i n GLU 63 Ca 0.10 -2.88 -0.22 0.00 -0.02 0.00 0.00 57.16 54.14 1v8i n GLU 63 Cb 0.47 1.16 -0.10 0.00 -0.02 0.00 0.00 31.44 32.95 1v8i n GLU 63 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1v8i s ILE 64 N -2.63 2.20 -0.15 -3.67 -4.36 -1.26 -0.69 121.20 110.64 1v8i s ILE 64 Ca 0.08 -2.32 -0.39 0.00 -0.26 0.00 0.00 60.65 57.76 1v8i s ILE 64 Cb 0.00 -2.28 -0.17 0.00 1.25 0.00 0.00 42.46 41.27 1v8i s ILE 64 CO 0.06 -0.43 1.55 -2.65 0.24 0.00 0.00 174.94 173.71 1v8i n PRO 65 N -0.57 0.99 -3.83 0.37 -0.02 -1.26 -4.75 135.00 125.93 1v8i n PRO 65 Ca -0.06 0.36 -0.09 0.00 -2.02 0.00 0.00 63.50 61.69 1v8i n PRO 65 Cb 0.61 -2.00 -0.04 0.00 -0.02 0.00 0.00 33.50 32.05 1v8i n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1v8i s ALA 66 N 2.19 -0.88 0.00 3.55 0.00 -1.26 -0.62 121.76 124.74 1v8i s ALA 66 Ca 0.94 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1v8i s ALA 66 Cb -1.08 0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.95 1v8i s ALA 66 CO 0.60 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1v8i n GLY 67 N -0.39 -0.15 3.81 0.00 0.00 -0.91 -4.97 105.19 102.58 1v8i n GLY 67 Ca -0.06 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 1v8i n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8i s LEU 68 N 0.00 4.29 -0.06 0.99 1.02 -1.26 -0.94 118.68 122.72 1v8i s LEU 68 Ca 0.00 1.58 -0.30 0.00 0.02 0.00 0.00 54.13 55.44 1v8i s LEU 68 Cb 0.00 -3.86 -0.02 0.00 0.02 0.00 0.00 46.19 42.33 1v8i s LEU 68 CO 0.00 -0.05 1.05 -0.63 0.02 0.00 0.00 176.35 176.74 1v8i s ILE 69 N -1.64 4.65 0.55 -0.59 1.01 -0.70 -4.90 121.20 119.57 1v8i s ILE 69 Ca 0.48 1.92 -0.08 0.00 0.00 0.00 0.00 60.65 62.97 1v8i s ILE 69 Cb -0.16 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.04 1v8i s ILE 69 CO 0.21 0.04 0.89 -1.61 0.00 0.00 0.00 174.94 174.48 1v8i s GLU 70 N 1.77 3.49 0.27 2.79 0.41 -1.26 -4.80 118.70 121.37 1v8i s GLU 70 Ca 0.51 0.39 -0.31 0.00 -0.41 0.00 0.00 54.97 55.16 1v8i s GLU 70 Cb -0.21 -2.25 -0.13 0.00 -1.78 0.00 0.00 34.13 29.77 1v8i s GLU 70 CO 0.22 -0.40 1.49 -0.35 -0.49 0.00 0.00 175.26 175.72 1v8i n PRO 71 N -2.49 2.35 -0.61 0.39 -0.04 -1.26 -1.61 135.00 131.74 1v8i n PRO 71 Ca 0.03 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 1v8i n PRO 71 Cb 0.55 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1v8i n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1v8i n GLY 72 N 2.09 1.32 3.79 0.55 0.00 -1.26 -5.02 105.19 106.65 1v8i n GLY 72 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1v8i n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1v8i s GLU 73 N -0.18 3.14 0.44 1.61 2.12 -0.63 -5.12 118.70 120.08 1v8i s GLU 73 Ca 0.00 -0.40 0.08 0.00 0.36 0.00 0.00 54.97 55.01 1v8i s GLU 73 Cb 0.00 -2.92 0.01 0.00 0.26 0.00 0.00 34.13 31.48 1v8i s GLU 73 CO 0.00 0.68 0.54 0.16 -0.54 0.00 0.00 175.26 176.11 1v8i s ASP 74 N -1.46 5.44 0.22 -1.70 1.47 -1.26 -4.75 116.67 114.63 1v8i s ASP 74 Ca 0.20 -0.56 -0.09 0.00 1.18 0.00 0.00 52.55 53.29 1v8i s ASP 74 Cb -0.12 -0.52 0.33 0.00 -0.34 0.00 0.00 42.92 42.27 1v8i s ASP 74 CO 0.10 -0.80 1.71 -0.65 0.68 0.00 0.00 175.17 176.21 1v8i h PRO 75 N 0.69 0.27 -0.60 2.11 0.11 -1.99 -1.71 132.00 130.88 1v8i h PRO 75 Ca -0.39 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.72 1v8i h PRO 75 Cb 1.28 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1v8i h PRO 75 CO 0.48 0.18 0.39 1.25 -0.21 0.00 0.00 178.00 180.08 1v8i h LEU 76 N 0.28 0.65 -0.62 2.35 5.85 -1.97 -0.20 115.31 121.65 1v8i h LEU 76 Ca 0.34 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.95 1v8i h LEU 76 Cb 0.51 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1v8i h LEU 76 CO -0.41 0.46 0.02 -0.33 -0.34 0.00 0.00 178.44 177.84 1v8i h GLU 77 N 0.77 1.08 -0.54 1.25 5.08 -1.85 -1.91 114.58 118.46 1v8i h GLU 77 Ca 0.23 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1v8i h GLU 77 Cb -0.04 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1v8i h GLU 77 CO -0.07 1.04 -0.03 0.00 -1.00 0.00 0.00 179.01 178.95 1v8i h ALA 78 N 1.00 0.92 -0.49 3.43 0.00 -0.98 -1.15 119.26 121.98 1v8i h ALA 78 Ca 0.18 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1v8i h ALA 78 Cb 0.54 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1v8i h ALA 78 CO 0.03 0.64 0.29 0.00 0.00 0.00 0.00 179.25 180.21 1v8i h ALA 79 N 1.08 0.62 -0.02 0.00 0.00 -0.78 0.54 119.26 120.72 1v8i h ALA 79 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1v8i h ALA 79 Cb 0.55 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1v8i h ALA 79 CO 0.03 0.11 0.01 -0.09 0.00 0.00 0.00 179.25 179.32 1v8i h ARG 80 N 0.65 0.02 -0.29 0.00 2.43 -1.04 -1.88 114.38 114.28 1v8i h ARG 80 Ca 0.18 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1v8i h ARG 80 Cb -0.01 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1v8i h ARG 80 CO -0.03 0.02 0.15 -0.09 -1.51 0.00 0.00 179.97 178.51 1v8i h ARG 81 N 0.01 0.30 -0.65 0.20 2.43 -0.84 -1.86 114.38 113.97 1v8i h ARG 81 Ca 0.01 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1v8i h ARG 81 Cb 0.01 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1v8i h ARG 81 CO -0.00 0.20 0.25 0.93 -1.51 0.00 0.00 179.97 179.84 1v8i h GLU 82 N 0.31 0.96 -0.53 0.20 4.39 -0.80 0.22 114.58 119.32 1v8i h GLU 82 Ca 0.12 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1v8i h GLU 82 Cb 0.03 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1v8i h GLU 82 CO -0.08 0.79 0.15 1.25 -1.16 0.00 0.00 179.01 179.97 1v8i h LEU 83 N 0.94 0.79 -0.13 1.33 5.85 -1.07 -0.91 115.31 122.12 1v8i h LEU 83 Ca 0.22 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1v8i h LEU 83 Cb 0.20 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1v8i h LEU 83 CO -0.02 0.80 -0.13 0.00 -0.34 0.00 0.00 178.44 178.75 1v8i h ALA 84 N 1.02 0.19 -0.46 1.25 0.00 -0.90 -1.81 119.26 118.55 1v8i h ALA 84 Ca 0.17 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1v8i h ALA 84 Cb 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1v8i h ALA 84 CO -0.00 0.06 -0.21 0.93 0.00 0.00 0.00 179.25 180.02 1v8i h GLU 85 N -0.07 0.93 0.00 0.00 5.08 -0.54 0.18 114.58 120.15 1v8i h GLU 85 Ca 0.02 -0.39 -0.15 0.00 -1.00 0.00 0.00 59.36 57.85 1v8i h GLU 85 Cb 0.66 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1v8i h GLU 85 CO 0.03 1.04 -1.16 0.93 -1.00 0.00 0.00 179.01 178.86 1v8i h GLU 86 N 0.80 0.00 0.00 2.33 5.08 -1.25 -3.41 114.58 118.12 1v8i h GLU 86 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1v8i h GLU 86 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1v8i h GLU 86 CO 0.06 0.35 0.00 0.25 -1.00 0.00 0.00 179.01 178.67 1v8i n THR 87 N -2.98 0.00 -1.46 1.13 -2.24 -0.69 -4.08 114.28 103.97 1v8i n THR 87 Ca -0.06 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.37 1v8i n THR 87 Cb 0.80 1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 70.20 1v8i n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v8i n GLY 88 N 0.30 1.00 3.55 3.38 0.00 0.62 -4.98 105.19 109.06 1v8i n GLY 88 Ca 0.00 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 1v8i n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8i s LEU 89 N -2.55 2.84 0.06 0.99 1.43 -1.20 -1.22 118.68 119.03 1v8i s LEU 89 Ca 0.00 -0.93 0.01 0.00 -1.03 0.00 0.00 54.13 52.18 1v8i s LEU 89 Cb 0.00 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.88 1v8i s LEU 89 CO 0.00 -0.04 -0.05 -0.94 0.23 0.00 0.00 176.35 175.55 1v8i s SER 90 N -3.60 0.71 0.13 2.29 1.04 -0.31 -2.63 113.70 111.33 1v8i s SER 90 Ca 0.31 -0.85 -0.12 0.00 0.48 0.00 0.00 55.95 55.77 1v8i s SER 90 Cb -0.04 0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.25 1v8i s SER 90 CO 0.17 -0.45 0.59 0.61 0.98 0.00 0.00 173.24 175.14 1v8i n GLY 91 N 0.50 0.98 3.59 7.32 0.00 -1.26 -1.07 105.19 115.25 1v8i n GLY 91 Ca -0.16 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1v8i n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1v8i s ASP 92 N -2.41 6.51 -0.08 1.61 1.01 0.14 -4.86 116.67 118.58 1v8i s ASP 92 Ca 0.13 0.36 -0.10 0.00 0.71 0.00 0.00 52.55 53.65 1v8i s ASP 92 Cb -0.02 -2.35 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 1v8i s ASP 92 CO 0.04 -0.58 0.23 -0.76 0.21 0.00 0.00 175.17 174.31 1v8i s LEU 93 N 2.77 4.41 -0.06 1.23 1.43 -1.26 -1.24 118.68 125.97 1v8i s LEU 93 Ca 0.27 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 54.02 1v8i s LEU 93 Cb -0.14 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 43.85 1v8i s LEU 93 CO 0.14 0.37 -0.09 -0.89 0.23 0.00 0.00 176.35 176.11 1v8i s THR 94 N -1.00 0.87 0.18 5.49 2.01 -0.12 -4.96 115.64 118.12 1v8i s THR 94 Ca 0.18 -0.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 1v8i s THR 94 Cb -0.14 -0.83 -0.08 0.00 0.01 0.00 0.00 72.50 71.46 1v8i s THR 94 CO 0.07 0.30 1.28 -0.47 -0.69 0.00 0.00 174.62 175.11 1v8i s TYR 95 N 0.78 3.31 -0.08 4.92 5.04 -1.26 -0.52 117.35 129.54 1v8i s TYR 95 Ca -0.13 1.24 -0.10 0.00 -2.44 0.00 0.00 57.07 55.64 1v8i s TYR 95 Cb -0.15 -3.56 -0.03 0.00 0.35 0.00 0.00 41.96 38.57 1v8i s TYR 95 CO 0.02 -1.74 -0.19 1.28 -1.34 0.00 0.00 175.55 173.58 1v8i n LEU 96 N 2.85 1.31 -3.86 6.97 4.77 -0.13 -4.90 117.00 124.01 1v8i n LEU 96 Ca 0.07 0.21 -0.02 0.00 -0.03 0.00 0.00 56.01 56.24 1v8i n LEU 96 Cb 0.43 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1v8i n LEU 96 CO 0.57 -0.43 0.88 0.72 -1.33 0.00 0.00 177.39 177.80 1v8i s PHE 97 N -2.27 0.03 0.14 -1.77 -0.71 -1.18 -5.04 117.98 107.18 1v8i s PHE 97 Ca -0.16 -0.34 0.01 0.00 -1.04 0.00 0.00 56.93 55.40 1v8i s PHE 97 Cb 0.02 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.44 1v8i s PHE 97 CO 0.24 -0.73 -0.00 -1.54 -1.34 0.00 0.00 175.22 171.84 1v8i s SER 98 N -3.39 0.99 -0.05 1.98 1.04 -1.26 -0.51 113.70 112.51 1v8i s SER 98 Ca 0.21 -1.13 -0.28 0.00 0.48 0.00 0.00 55.95 55.23 1v8i s SER 98 Cb -0.01 0.15 0.06 0.00 0.10 0.00 0.00 66.02 66.32 1v8i s SER 98 CO 0.03 -0.58 0.61 -0.72 0.98 0.00 0.00 173.24 173.57 1v8i s TYR 99 N -3.74 -0.58 -0.22 5.02 1.13 -0.50 -4.98 117.35 113.48 1v8i s TYR 99 Ca 0.20 1.00 -0.20 0.00 -1.41 0.00 0.00 57.07 56.66 1v8i s TYR 99 Cb 0.06 0.35 -0.02 0.00 -1.10 0.00 0.00 41.96 41.25 1v8i s TYR 99 CO 0.01 -0.56 0.61 -0.06 -2.51 0.00 0.00 175.55 173.04 1v8i s PHE 100 N -1.15 3.33 0.40 -3.49 0.40 -1.26 -0.54 117.98 115.66 1v8i s PHE 100 Ca -0.11 0.85 0.12 0.00 -0.60 0.00 0.00 56.93 57.19 1v8i s PHE 100 Cb -0.01 -2.80 0.93 0.00 0.51 0.00 0.00 43.02 41.65 1v8i s PHE 100 CO 0.09 -0.23 1.92 -0.39 0.70 0.00 0.00 175.22 177.31 1v8i h VAL 101 N 5.28 0.86 -0.40 -0.44 -1.51 -1.75 -3.38 116.25 114.90 1v8i h VAL 101 Ca -0.30 -0.19 -0.05 0.00 -1.23 0.00 0.00 66.70 64.94 1v8i h VAL 101 Cb 1.14 0.26 -0.15 0.00 -2.13 0.00 0.00 31.29 30.40 1v8i h VAL 101 CO 0.77 0.10 -0.24 -0.24 -1.23 0.00 0.00 177.57 176.73 1v8i n SER 102 N -4.50 -2.08 0.05 4.19 2.88 -1.26 -5.03 113.62 107.86 1v8i n SER 102 Ca 0.14 -1.66 0.03 0.00 -1.33 0.00 0.00 58.87 56.05 1v8i n SER 102 Cb 0.43 1.07 0.16 0.00 -0.75 0.00 0.00 64.21 65.13 1v8i n SER 102 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1v8i n PRO 103 N 2.59 0.04 0.20 -1.46 -0.04 -1.25 -1.84 135.00 133.23 1v8i n PRO 103 Ca 0.13 0.52 0.15 0.00 -0.04 0.00 0.00 63.50 64.25 1v8i n PRO 103 Cb 0.63 -1.66 0.57 0.00 -0.04 0.00 0.00 33.50 33.00 1v8i n PRO 103 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1v8i h GLY 104 N 0.00 0.00 0.00 0.55 0.00 -1.97 -3.39 103.07 98.26 1v8i h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1v8i h GLY 104 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.51 1v8i n PHE 105 N -2.67 0.00 -4.27 5.60 1.16 -0.86 -4.95 117.46 111.47 1v8i n PHE 105 Ca 0.02 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.41 1v8i n PHE 105 Cb 0.29 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.05 1v8i n PHE 105 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1v8i s THR 106 N -0.17 1.43 -2.17 1.97 -1.32 -0.77 -0.50 115.64 114.10 1v8i s THR 106 Ca 0.00 -1.83 0.22 0.00 -1.21 0.00 0.00 61.69 58.87 1v8i s THR 106 Cb 0.00 -1.66 0.54 0.00 -1.51 0.00 0.00 72.50 69.87 1v8i s THR 106 CO 0.00 -0.45 1.47 -0.90 -2.21 0.00 0.00 174.62 172.53 1v8i n ASP 107 N 0.33 3.51 -4.68 8.08 3.85 -1.16 -3.97 116.55 122.52 1v8i n ASP 107 Ca -0.14 -1.99 -0.46 0.00 -0.71 0.00 0.00 54.79 51.50 1v8i n ASP 107 Cb 0.58 -0.37 -0.04 0.00 -1.35 0.00 0.00 41.12 39.93 1v8i n ASP 107 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1v8i n GLU 108 N 1.45 2.42 -5.11 0.11 2.13 -1.26 -4.85 120.64 115.53 1v8i n GLU 108 Ca 0.21 0.88 -0.32 0.00 0.66 0.00 0.00 57.16 58.60 1v8i n GLU 108 Cb 0.58 -2.74 -0.16 0.00 0.27 0.00 0.00 31.44 29.38 1v8i n GLU 108 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1v8i s LYS 109 N 3.22 3.05 -0.16 5.31 2.20 -1.26 -2.07 119.74 130.04 1v8i s LYS 109 Ca 0.87 -0.83 -0.03 0.00 -0.36 0.00 0.00 55.97 55.62 1v8i s LYS 109 Cb -0.60 -2.36 -0.02 0.00 -1.51 0.00 0.00 37.83 33.33 1v8i s LYS 109 CO 0.44 0.23 -0.06 0.99 -0.36 0.00 0.00 175.35 176.59 1v8i s THR 110 N 0.25 3.64 -0.27 3.43 2.01 0.30 -0.22 115.64 124.77 1v8i s THR 110 Ca -0.14 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 1v8i s THR 110 Cb -0.17 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1v8i s THR 110 CO 0.07 0.49 0.14 -1.00 -0.69 0.00 0.00 174.62 173.64 1v8i s HIS 111 N 0.50 3.17 -0.18 4.92 0.09 0.37 -1.41 115.29 122.74 1v8i s HIS 111 Ca -0.05 -0.16 -0.09 0.00 -0.00 0.00 0.00 55.06 54.76 1v8i s HIS 111 Cb -0.15 -2.33 -0.05 0.00 -0.00 0.00 0.00 32.58 30.06 1v8i s HIS 111 CO 0.03 -0.27 0.13 0.08 -0.00 0.00 0.00 174.74 174.72 1v8i s VAL 112 N 1.69 5.43 0.19 -0.90 1.01 0.34 -1.23 120.40 126.93 1v8i s VAL 112 Ca 0.07 0.20 0.10 0.00 0.00 0.00 0.00 61.98 62.34 1v8i s VAL 112 Cb -0.16 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1v8i s VAL 112 CO 0.08 0.48 -0.20 -0.36 0.00 0.00 0.00 175.10 175.11 1v8i s PHE 113 N 0.03 1.99 -0.12 5.22 0.40 0.14 -0.96 117.98 124.68 1v8i s PHE 113 Ca 0.10 -0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 55.97 1v8i s PHE 113 Cb -0.11 -0.97 -0.03 0.00 0.51 0.00 0.00 43.02 42.42 1v8i s PHE 113 CO -0.01 0.43 -0.01 -1.17 0.70 0.00 0.00 175.22 175.16 1v8i s LEU 114 N -2.84 3.44 -0.11 -0.37 2.96 0.32 -0.17 118.68 121.91 1v8i s LEU 114 Ca 0.20 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 1v8i s LEU 114 Cb -0.06 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1v8i s LEU 114 CO 0.09 0.28 -0.14 0.00 -1.32 0.00 0.00 176.35 175.26 1v8i s ALA 115 N -0.31 2.62 0.24 5.97 0.00 0.48 -0.94 121.76 129.82 1v8i s ALA 115 Ca 0.06 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.16 1v8i s ALA 115 Cb -0.12 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 1v8i s ALA 115 CO 0.02 0.31 -0.01 -1.21 0.00 0.00 0.00 175.76 174.86 1v8i s GLU 116 N 0.15 1.39 -1.28 0.00 2.02 -0.37 -4.26 118.70 116.35 1v8i s GLU 116 Ca -0.07 -1.70 -0.08 0.00 0.02 0.00 0.00 54.97 53.14 1v8i s GLU 116 Cb -0.15 -0.74 -0.00 0.00 0.10 0.00 0.00 34.13 33.34 1v8i s GLU 116 CO 0.05 -0.07 0.62 0.09 0.02 0.00 0.00 175.26 175.97 1v8i n ASN 117 N -0.46 -2.37 -4.77 -0.19 3.02 -1.26 -0.69 115.26 108.55 1v8i n ASN 117 Ca -0.05 -0.97 -0.39 0.00 -0.03 0.00 0.00 54.58 53.14 1v8i n ASN 117 Cb 0.64 -3.41 0.01 0.00 -0.61 0.00 0.00 39.78 36.40 1v8i n ASN 117 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1v8i s LEU 118 N -6.71 4.14 -0.06 3.41 1.43 -1.26 -4.47 118.68 115.15 1v8i s LEU 118 Ca 0.18 2.71 -0.06 0.00 -1.03 0.00 0.00 54.13 55.92 1v8i s LEU 118 Cb -0.06 -3.97 0.02 0.00 0.03 0.00 0.00 46.19 42.20 1v8i s LEU 118 CO 0.86 -1.01 0.18 -1.59 0.23 0.00 0.00 176.35 175.02 1v8i s LYS 119 N -2.40 0.22 -0.24 1.70 -2.85 -0.23 -4.98 119.74 110.97 1v8i s LYS 119 Ca 0.60 0.22 -0.29 0.00 -1.00 0.00 0.00 55.97 55.50 1v8i s LYS 119 Cb -0.39 0.11 0.01 0.00 -2.06 0.00 0.00 37.83 35.50 1v8i s LYS 119 CO 0.50 -0.03 1.05 -2.00 0.10 0.00 0.00 175.35 174.97 1v8i s GLU 120 N 0.03 4.24 -0.01 1.78 2.12 -1.26 -1.17 118.70 124.43 1v8i s GLU 120 Ca -0.01 1.34 0.17 0.00 0.36 0.00 0.00 54.97 56.83 1v8i s GLU 120 Cb -0.02 -3.65 -0.20 0.00 0.26 0.00 0.00 34.13 30.52 1v8i s GLU 120 CO 0.00 -0.66 0.62 1.33 -0.54 0.00 0.00 175.26 176.02 1v8i n VAL 121 N 5.37 0.00 0.00 3.70 0.24 -0.35 -4.98 118.33 122.31 1v8i n VAL 121 Ca 0.12 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1v8i n VAL 121 Cb 0.46 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.60 1v8i n VAL 121 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1v8i n GLU 122 N -1.58 0.00 0.00 7.34 0.28 -1.15 -5.06 120.64 120.48 1v8i n GLU 122 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1v8i n GLU 122 Cb 0.31 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.18 1v8i n GLU 122 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1v8i n ILE 131 N 0.00 0.00 -3.34 3.84 -0.00 -1.26 -4.68 119.36 113.93 1v8i n ILE 131 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.36 1v8i n ILE 131 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 39.56 1v8i n ILE 131 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1v8i s GLU 132 N 0.00 4.04 -0.20 6.28 2.12 0.15 -4.95 118.70 126.15 1v8i s GLU 132 Ca 0.00 0.15 -0.27 0.00 0.36 0.00 0.00 54.97 55.21 1v8i s GLU 132 Cb 0.00 -3.65 -0.00 0.00 0.26 0.00 0.00 34.13 30.74 1v8i s GLU 132 CO 0.00 -0.29 0.94 0.08 -0.54 0.00 0.00 175.26 175.45 1v8i s VAL 133 N 2.11 4.78 -0.48 3.70 1.01 -1.26 -1.01 120.40 129.24 1v8i s VAL 133 Ca 0.17 1.83 0.03 0.00 0.00 0.00 0.00 61.98 64.01 1v8i s VAL 133 Cb -0.16 -4.22 0.13 0.00 0.00 0.00 0.00 36.38 32.13 1v8i s VAL 133 CO 0.10 -0.07 0.25 -0.69 0.00 0.00 0.00 175.10 174.68 1v8i s VAL 134 N 2.67 2.05 -0.07 2.92 1.01 0.10 -4.98 120.40 124.10 1v8i s VAL 134 Ca 0.41 -2.99 -0.30 0.00 0.00 0.00 0.00 61.98 59.11 1v8i s VAL 134 Cb -0.16 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1v8i s VAL 134 CO 0.10 -0.84 1.17 0.26 0.00 0.00 0.00 175.10 175.78 1v8i s TRP 135 N -0.01 3.23 -0.17 5.22 0.52 -1.26 -1.22 118.94 125.24 1v8i s TRP 135 Ca 0.17 1.28 -0.17 0.00 0.02 0.00 0.00 56.10 57.40 1v8i s TRP 135 Cb -0.25 -3.38 0.05 0.00 -1.15 0.00 0.00 33.47 28.74 1v8i s TRP 135 CO -0.00 -1.12 0.49 1.41 0.02 0.00 0.00 176.95 177.75 1v8i s MET 136 N 2.27 0.59 0.21 4.98 1.75 -0.48 -4.92 119.30 123.71 1v8i s MET 136 Ca 0.54 0.63 -0.31 0.00 -1.25 0.00 0.00 55.69 55.30 1v8i s MET 136 Cb -0.23 0.29 -0.10 0.00 2.84 0.00 0.00 34.83 37.62 1v8i s MET 136 CO 0.20 -0.08 1.53 1.03 -0.65 0.00 0.00 175.02 177.05 1v8i s ARG 137 N 0.14 4.22 0.49 4.11 0.52 -1.26 -0.14 118.95 127.02 1v8i s ARG 137 Ca -0.01 2.37 0.21 0.00 -0.52 0.00 0.00 55.73 57.78 1v8i s ARG 137 Cb -0.03 -3.12 1.24 0.00 0.52 0.00 0.00 34.95 33.56 1v8i s ARG 137 CO 0.01 -0.54 1.98 -1.35 0.02 0.00 0.00 175.30 175.42 1v8i h PRO 138 N 5.92 0.17 -0.69 3.54 0.11 -1.92 -0.09 132.00 139.04 1v8i h PRO 138 Ca -0.44 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1v8i h PRO 138 Cb 1.21 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1v8i h PRO 138 CO 0.85 0.11 0.22 0.93 -0.21 0.00 0.00 178.00 179.91 1v8i h GLU 139 N 0.17 1.05 -0.20 1.05 3.07 -1.92 -0.79 114.58 117.02 1v8i h GLU 139 Ca 0.27 -0.21 -0.19 0.00 -0.50 0.00 0.00 59.36 58.74 1v8i h GLU 139 Cb 0.85 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1v8i h GLU 139 CO -0.04 0.89 -0.64 0.93 -1.40 0.00 0.00 179.01 178.75 1v8i h GLU 140 N 1.01 0.72 -0.58 2.33 4.39 -1.41 -1.79 114.58 119.24 1v8i h GLU 140 Ca 0.23 -0.50 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 1v8i h GLU 140 Cb 0.27 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1v8i h GLU 140 CO -0.01 1.13 0.32 0.00 -1.16 0.00 0.00 179.01 179.28 1v8i h ALA 141 N 0.75 0.74 -0.49 3.43 0.00 -1.00 0.11 119.26 122.81 1v8i h ALA 141 Ca -0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1v8i h ALA 141 Cb 1.23 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1v8i h ALA 141 CO 0.13 0.26 0.09 1.25 0.00 0.00 0.00 179.25 180.98 1v8i h LEU 142 N 0.78 0.77 -0.18 0.00 5.85 -1.09 -1.67 115.31 119.78 1v8i h LEU 142 Ca 0.20 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1v8i h LEU 142 Cb 0.04 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1v8i h LEU 142 CO -0.03 0.83 0.08 -0.08 -0.34 0.00 0.00 178.44 178.90 1v8i h GLU 143 N 0.68 0.26 -0.71 1.25 4.81 -1.02 -0.57 114.58 119.27 1v8i h GLU 143 Ca 0.15 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1v8i h GLU 143 Cb 0.38 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1v8i h GLU 143 CO 0.01 0.29 0.43 0.00 -0.73 0.00 0.00 179.01 179.01 1v8i h ARG 144 N 0.16 0.78 -0.47 1.92 3.08 -0.88 -1.18 114.38 117.78 1v8i h ARG 144 Ca 0.06 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1v8i h ARG 144 Cb 0.12 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1v8i h ARG 144 CO -0.01 0.51 0.19 1.25 -1.07 0.00 0.00 179.97 180.85 1v8i h HIS 145 N 0.80 0.71 0.00 3.04 2.76 -0.99 -0.14 115.15 121.33 1v8i h HIS 145 Ca 0.30 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 1v8i h HIS 145 Cb 0.12 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 28.86 1v8i h HIS 145 CO -0.06 0.60 -0.09 1.96 -1.30 0.00 0.00 177.93 179.05 1v8i h GLN 146 N 0.62 0.00 -0.00 5.26 4.20 -0.55 -0.39 115.11 124.25 1v8i h GLN 146 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1v8i h GLN 146 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1v8i h GLN 146 CO -0.01 0.09 -0.15 0.54 -0.67 0.00 0.00 178.83 178.62 1v8i n ARG 147 N -4.10 0.53 -1.00 1.46 1.74 -0.50 -4.92 116.66 109.87 1v8i n ARG 147 Ca -0.03 -0.19 -0.00 0.00 -0.77 0.00 0.00 57.85 56.86 1v8i n ARG 147 Cb 0.17 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1v8i n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1v8i n GLY 148 N 1.34 0.48 0.11 -0.13 0.00 -0.16 -4.93 105.19 101.90 1v8i n GLY 148 Ca 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 1v8i n GLY 148 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1v8i h GLU 149 N 0.80 0.00 -3.48 1.61 4.22 -1.24 -3.46 114.58 113.01 1v8i h GLU 149 Ca -0.00 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.30 1v8i h GLU 149 Cb 0.02 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.07 1v8i h GLU 149 CO 0.00 0.75 -0.47 0.54 -2.18 0.00 0.00 179.01 177.66 1v8i s VAL 150 N -3.09 0.08 0.20 0.32 0.11 -1.23 -4.98 120.40 111.82 1v8i s VAL 150 Ca 0.01 -0.70 0.04 0.00 -2.93 0.00 0.00 61.98 58.40 1v8i s VAL 150 Cb 0.10 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1v8i s VAL 150 CO 0.78 -0.39 0.30 -1.61 -3.33 0.00 0.00 175.10 170.85 1v8i s GLU 151 N -1.50 3.33 0.08 1.54 0.41 -1.26 -4.24 118.70 117.07 1v8i s GLU 151 Ca -0.14 -0.75 0.07 0.00 -0.41 0.00 0.00 54.97 53.74 1v8i s GLU 151 Cb -0.07 -2.86 -0.04 0.00 -1.78 0.00 0.00 34.13 29.39 1v8i s GLU 151 CO 0.01 0.46 -0.13 -0.06 -0.49 0.00 0.00 175.26 175.06 1v8i s PHE 152 N -1.90 2.69 0.43 1.61 2.99 -1.26 -0.01 117.98 122.53 1v8i s PHE 152 Ca 0.34 -0.18 0.04 0.00 0.00 0.00 0.00 56.93 57.13 1v8i s PHE 152 Cb -0.10 -1.45 0.01 0.00 0.00 0.00 0.00 43.02 41.48 1v8i s PHE 152 CO 0.28 0.38 0.61 -1.54 -0.00 0.00 0.00 175.22 174.94 1v8i s SER 153 N -1.94 5.72 0.25 1.36 1.04 -0.86 -4.82 113.70 114.45 1v8i s SER 153 Ca 0.19 -0.09 -0.05 0.00 0.48 0.00 0.00 55.95 56.48 1v8i s SER 153 Cb -0.11 -1.10 0.34 0.00 0.10 0.00 0.00 66.02 65.25 1v8i s SER 153 CO 0.11 -0.72 1.88 0.00 0.98 0.00 0.00 173.24 175.48 1v8i h ALA 154 N 0.54 1.26 -0.74 5.32 0.00 -2.00 -1.41 119.26 122.24 1v8i h ALA 154 Ca -0.44 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1v8i h ALA 154 Cb 1.27 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1v8i h ALA 154 CO 0.52 0.40 0.22 1.79 0.00 0.00 0.00 179.25 182.18 1v8i h THR 155 N 1.11 1.26 -0.39 0.00 1.35 -1.94 -0.45 112.91 113.85 1v8i h THR 155 Ca 0.39 -0.94 -0.04 0.00 -0.55 0.00 0.00 66.41 65.27 1v8i h THR 155 Cb 0.10 0.46 -0.02 0.00 -1.73 0.00 0.00 68.15 66.97 1v8i h THR 155 CO -0.15 0.37 0.08 1.23 -0.25 0.00 0.00 175.52 176.80 1v8i h GLY 156 N 1.11 0.68 0.97 5.82 0.00 -1.56 -1.15 103.07 108.94 1v8i h GLY 156 Ca 0.24 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1v8i h GLY 156 CO -0.00 0.41 0.10 -2.00 0.00 0.00 0.00 176.54 175.04 1v8i h LEU 157 N 0.49 0.73 -0.78 3.11 5.85 -1.07 -1.69 115.31 121.94 1v8i h LEU 157 Ca 0.12 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1v8i h LEU 157 Cb 0.33 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1v8i h LEU 157 CO 0.00 0.78 0.51 0.58 -0.34 0.00 0.00 178.44 179.98 1v8i h VAL 158 N 0.64 1.17 -0.22 1.05 2.07 -0.98 0.80 116.25 120.78 1v8i h VAL 158 Ca 0.15 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1v8i h VAL 158 Cb 0.35 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1v8i h VAL 158 CO 0.00 0.19 0.14 1.23 0.02 0.00 0.00 177.57 179.15 1v8i h GLY 159 N 1.02 0.30 0.96 2.17 0.00 -0.92 0.15 103.07 106.75 1v8i h GLY 159 Ca 0.29 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1v8i h GLY 159 CO -0.08 0.11 0.18 -2.08 0.00 0.00 0.00 176.54 174.66 1v8i h VAL 160 N 0.29 1.12 -0.46 4.60 2.07 -0.69 -1.58 116.25 121.61 1v8i h VAL 160 Ca 0.08 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 1v8i h VAL 160 Cb -0.03 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1v8i h VAL 160 CO -0.02 0.12 -0.22 -0.07 0.02 0.00 0.00 177.57 177.41 1v8i h LEU 161 N 0.39 0.95 -0.66 2.57 3.38 -0.63 -2.41 115.31 118.90 1v8i h LEU 161 Ca 0.11 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1v8i h LEU 161 Cb 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1v8i h LEU 161 CO -0.02 1.13 0.38 0.22 0.09 0.00 0.00 178.44 180.24 1v8i h TYR 162 N 0.81 0.89 0.26 1.13 3.20 -0.55 -1.51 116.97 121.19 1v8i h TYR 162 Ca 0.11 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1v8i h TYR 162 Cb 0.78 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 1v8i h TYR 162 CO 0.05 0.62 -0.15 -0.92 -1.64 0.00 0.00 178.16 176.12 1v8i h TYR 163 N 0.90 -0.38 0.00 -3.82 3.20 -1.13 0.00 116.97 115.74 1v8i h TYR 163 Ca 0.24 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1v8i h TYR 163 Cb 0.00 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1v8i h TYR 163 CO -0.01 -0.23 -0.03 0.45 -1.64 0.00 0.00 178.16 176.70 1v8i h HIS 164 N -0.38 0.00 0.19 -3.82 3.86 -1.24 -0.19 115.15 113.57 1v8i h HIS 164 Ca -0.03 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.84 1v8i h HIS 164 Cb 0.31 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.80 1v8i h HIS 164 CO -0.08 0.03 -1.65 0.00 0.86 0.00 0.00 177.93 177.09 1v8i h ALA 165 N 1.97 0.09 0.00 2.45 0.00 -0.94 -3.44 119.26 119.39 1v8i h ALA 165 Ca -0.00 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1v8i h ALA 165 Cb 0.05 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1v8i h ALA 165 CO 0.00 0.92 0.00 1.19 0.00 0.00 0.00 179.25 181.36 1v8i n PHE 166 N -3.66 0.00 0.03 0.00 3.01 -0.04 -4.86 117.46 111.94 1v8i n PHE 166 Ca -0.23 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.30 1v8i n PHE 166 Cb 1.06 0.00 0.15 0.00 -0.01 0.00 0.00 39.48 40.68 1v8i n PHE 166 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1v8i n LEU 167 N -0.44 2.85 -0.27 4.37 4.77 -0.09 -5.03 117.00 123.15 1v8i n LEU 167 Ca 0.00 -1.68 0.15 0.00 -0.03 0.00 0.00 56.01 54.45 1v8i n LEU 167 Cb 0.02 -0.20 0.71 0.00 -2.33 0.00 0.00 43.42 41.62 1v8i n LEU 167 CO 0.00 0.67 0.97 0.54 -1.33 0.00 0.00 177.39 178.24