#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v8t s THR 12 N 0.00 4.37 -0.07 5.15 2.01 0.50 -4.87 115.64 122.72 1v8t s THR 12 Ca 0.00 -0.17 -0.21 0.00 0.31 0.00 0.00 61.69 61.62 1v8t s THR 12 Cb 0.00 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 1v8t s THR 12 CO 0.00 0.42 0.61 -0.31 -0.69 0.00 0.00 174.62 174.65 1v8t s TYR 13 N 0.83 3.57 -0.93 4.92 1.51 -1.26 0.15 117.35 126.14 1v8t s TYR 13 Ca 0.02 1.12 0.17 0.00 -1.01 0.00 0.00 57.07 57.38 1v8t s TYR 13 Cb -0.14 -2.69 -0.16 0.00 -0.11 0.00 0.00 41.96 38.86 1v8t s TYR 13 CO 0.02 0.15 0.75 1.28 -1.11 0.00 0.00 175.55 176.65 1v8t n LEU 14 N 3.59 0.94 -3.64 -1.29 4.32 0.42 -4.98 117.00 116.37 1v8t n LEU 14 Ca -0.04 -0.54 -0.07 0.00 -0.02 0.00 0.00 56.01 55.34 1v8t n LEU 14 Cb 0.51 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.24 1v8t n LEU 14 CO 0.45 0.22 0.86 -0.47 -1.22 0.00 0.00 177.39 177.23 1v8t s TYR 15 N -2.53 -0.36 -0.39 -1.77 5.04 -0.90 -4.93 117.35 111.52 1v8t s TYR 15 Ca 0.08 0.87 0.01 0.00 -2.44 0.00 0.00 57.07 55.59 1v8t s TYR 15 Cb 0.13 0.39 0.12 0.00 0.35 0.00 0.00 41.96 42.95 1v8t s TYR 15 CO 0.67 -0.17 0.16 1.03 -1.34 0.00 0.00 175.55 175.90 1v8t s ARG 16 N 0.19 1.15 0.00 4.97 0.52 -1.26 -0.92 118.95 123.60 1v8t s ARG 16 Ca 0.04 -1.70 0.00 0.00 -0.52 0.00 0.00 55.73 53.55 1v8t s ARG 16 Cb -0.05 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 33.03 1v8t s ARG 16 CO -0.09 -1.07 0.00 0.41 0.02 0.00 0.00 175.30 174.57 1v8t n GLY 17 N 4.07 1.43 0.09 -3.53 0.00 0.59 -5.00 105.19 102.84 1v8t n GLY 17 Ca 0.04 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 1v8t n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1v8t h ARG 18 N 0.00 -0.08 -0.13 1.61 3.08 -2.01 -3.39 114.38 113.45 1v8t h ARG 18 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1v8t h ARG 18 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1v8t h ARG 18 CO 0.00 0.44 0.00 0.44 -1.07 0.00 0.00 179.97 179.78 1v8t n ILE 19 N -4.78 0.35 -3.43 2.04 -5.35 -1.26 -5.04 119.36 101.89 1v8t n ILE 19 Ca -0.07 -0.68 -0.12 0.00 -0.27 0.00 0.00 62.75 61.62 1v8t n ILE 19 Cb 0.28 0.98 -0.02 0.00 -1.74 0.00 0.00 39.64 39.13 1v8t n ILE 19 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 1v8t s LEU 20 N -0.95 -0.55 0.03 7.28 0.05 -1.26 -4.07 118.68 119.20 1v8t s LEU 20 Ca 0.17 -0.00 0.06 0.00 0.05 0.00 0.00 54.13 54.40 1v8t s LEU 20 Cb 0.10 2.54 -0.02 0.00 -2.05 0.00 0.00 46.19 46.76 1v8t s LEU 20 CO 0.15 -0.93 -0.18 0.20 -0.55 0.00 0.00 176.35 175.04 1v8t s ASN 21 N -2.72 2.11 -0.19 1.48 0.01 -0.70 -0.30 114.94 114.62 1v8t s ASN 21 Ca 0.01 -0.45 -0.04 0.00 -0.71 0.00 0.00 52.86 51.68 1v8t s ASN 21 Cb -0.01 -0.18 -0.02 0.00 0.41 0.00 0.00 41.25 41.45 1v8t s ASN 21 CO -0.12 0.14 -0.04 -0.22 -1.51 0.00 0.00 177.10 175.34 1v8t s LEU 22 N -0.96 3.02 0.31 0.60 2.96 -0.10 -1.13 118.68 123.39 1v8t s LEU 22 Ca 0.05 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 1v8t s LEU 22 Cb -0.08 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1v8t s LEU 22 CO 0.01 0.05 0.14 0.00 -1.32 0.00 0.00 176.35 175.23 1v8t s ALA 23 N 1.05 2.08 0.02 5.97 0.00 0.17 -0.43 121.76 130.61 1v8t s ALA 23 Ca 0.01 -1.73 0.04 0.00 0.00 0.00 0.00 51.96 50.27 1v8t s ALA 23 Cb -0.15 1.04 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 1v8t s ALA 23 CO 0.00 -0.46 -0.11 -0.51 0.00 0.00 0.00 175.76 174.68 1v8t s LEU 24 N -3.40 2.12 -0.49 0.00 1.43 0.12 -0.99 118.68 117.45 1v8t s LEU 24 Ca 0.34 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 1v8t s LEU 24 Cb 0.05 -0.51 0.32 0.00 0.03 0.00 0.00 46.19 46.09 1v8t s LEU 24 CO 0.16 0.04 0.81 -0.62 0.23 0.00 0.00 176.35 176.97 1v8t n GLU 25 N 2.26 2.10 0.00 1.70 1.02 0.22 -0.37 120.64 127.57 1v8t n GLU 25 Ca -0.17 -4.16 0.00 0.00 -0.02 0.00 0.00 57.16 52.82 1v8t n GLU 25 Cb 0.56 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1v8t n GLU 25 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v8t n GLY 26 N 0.23 1.52 0.00 0.62 0.00 -1.26 -3.44 105.19 102.87 1v8t n GLY 26 Ca 0.28 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1v8t n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v8t n ARG 27 N 0.00 0.00 -1.63 1.61 3.00 -1.26 -4.90 116.66 113.48 1v8t n ARG 27 Ca 0.00 0.49 -0.48 0.00 -0.01 0.00 0.00 57.85 57.85 1v8t n ARG 27 Cb 0.00 -1.28 -0.05 0.00 0.00 0.00 0.00 32.46 31.13 1v8t n ARG 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1v8t n TYR 28 N -1.97 1.90 -3.40 -1.55 4.02 -1.22 -5.00 117.16 109.94 1v8t n TYR 28 Ca 0.00 0.45 -0.40 0.00 -0.01 0.00 0.00 57.90 57.94 1v8t n TYR 28 Cb 0.00 -2.44 -0.09 0.00 -0.02 0.00 0.00 39.34 36.79 1v8t n TYR 28 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1v8t s GLU 29 N 0.56 3.72 -0.17 -0.72 2.02 -1.26 -0.61 118.70 122.25 1v8t s GLU 29 Ca 0.80 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 55.53 1v8t s GLU 29 Cb -0.80 -3.75 0.01 0.00 0.10 0.00 0.00 34.13 29.69 1v8t s GLU 29 CO 0.43 -0.44 -0.19 0.42 0.02 0.00 0.00 175.26 175.51 1v8t s ILE 30 N 2.03 2.21 -0.48 -1.63 1.01 -0.17 -4.72 121.20 119.45 1v8t s ILE 30 Ca 0.13 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.71 1v8t s ILE 30 Cb -0.16 -1.92 0.07 0.00 0.01 0.00 0.00 42.46 40.46 1v8t s ILE 30 CO 0.11 0.53 0.44 -0.69 0.00 0.00 0.00 174.94 175.33 1v8t s VAL 31 N 1.14 5.17 0.16 2.92 1.01 0.05 -0.66 120.40 130.20 1v8t s VAL 31 Ca 0.01 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 1v8t s VAL 31 Cb -0.14 -4.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 1v8t s VAL 31 CO -0.08 -0.62 1.05 -1.61 0.00 0.00 0.00 175.10 173.84 1v8t s GLU 32 N 1.82 4.64 0.02 2.72 2.02 -0.28 -3.10 118.70 126.54 1v8t s GLU 32 Ca 0.06 1.63 -0.00 0.00 0.02 0.00 0.00 54.97 56.67 1v8t s GLU 32 Cb -0.23 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 1v8t s GLU 32 CO 0.08 0.14 -0.03 -1.58 0.02 0.00 0.00 175.26 173.89 1v8t s HIS 33 N -0.23 0.25 0.49 1.61 2.46 -1.26 -1.72 115.29 116.89 1v8t s HIS 33 Ca 0.48 -0.51 -0.22 0.00 0.47 0.00 0.00 55.06 55.28 1v8t s HIS 33 Cb -0.27 -0.18 -0.06 0.00 -0.13 0.00 0.00 32.58 31.93 1v8t s HIS 33 CO 0.33 -0.19 1.22 0.15 -2.47 0.00 0.00 174.74 173.78 1v8t s LYS 34 N -1.42 3.53 0.67 2.88 1.02 -1.26 -4.37 119.74 120.79 1v8t s LYS 34 Ca -0.16 1.89 -0.15 0.00 0.02 0.00 0.00 55.97 57.58 1v8t s LYS 34 Cb -0.10 -2.32 0.01 0.00 -0.52 0.00 0.00 37.83 34.90 1v8t s LYS 34 CO -0.01 -0.77 1.13 -1.25 -0.92 0.00 0.00 175.35 173.52 1v8t s PRO 35 N -2.82 2.69 0.31 -1.68 0.04 -1.26 -4.53 135.00 127.76 1v8t s PRO 35 Ca 0.67 1.45 0.03 0.00 0.04 0.00 0.00 61.00 63.19 1v8t s PRO 35 Cb -0.32 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 1v8t s PRO 35 CO 0.38 -1.35 0.09 0.00 0.04 0.00 0.00 177.00 176.16 1v8t s ALA 36 N -2.28 2.20 0.18 8.56 0.00 0.76 -1.34 121.76 129.84 1v8t s ALA 36 Ca 0.68 -1.87 0.06 0.00 0.00 0.00 0.00 51.96 50.83 1v8t s ALA 36 Cb -0.22 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.68 1v8t s ALA 36 CO 0.42 -0.37 -0.11 0.14 0.00 0.00 0.00 175.76 175.83 1v8t s VAL 37 N -3.45 1.41 -0.05 0.00 -7.23 -0.38 -0.21 120.40 110.48 1v8t s VAL 37 Ca 0.35 -2.12 -0.06 0.00 -1.81 0.00 0.00 61.98 58.33 1v8t s VAL 37 Cb 0.07 -1.98 0.01 0.00 0.56 0.00 0.00 36.38 35.05 1v8t s VAL 37 CO 0.15 -0.64 0.17 0.00 -0.31 0.00 0.00 175.10 174.46 1v8t s ALA 38 N -3.18 -0.42 -0.14 1.32 0.00 -0.24 -2.26 121.76 116.85 1v8t s ALA 38 Ca 0.20 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.54 1v8t s ALA 38 Cb 0.01 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1v8t s ALA 38 CO 0.04 -0.11 -0.19 0.08 0.00 0.00 0.00 175.76 175.58 1v8t s VAL 39 N -0.24 1.83 -0.27 0.00 1.01 0.37 0.17 120.40 123.27 1v8t s VAL 39 Ca -0.03 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 1v8t s VAL 39 Cb -0.03 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1v8t s VAL 39 CO 0.01 0.51 0.21 -0.63 0.00 0.00 0.00 175.10 175.19 1v8t s ILE 40 N 1.02 5.30 -0.05 2.22 1.01 0.21 -3.99 121.20 126.92 1v8t s ILE 40 Ca -0.04 0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.84 1v8t s ILE 40 Cb -0.15 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.80 1v8t s ILE 40 CO -0.04 0.26 -0.05 0.00 0.00 0.00 0.00 174.94 175.10 1v8t s ALA 41 N 1.67 0.80 0.02 9.38 0.00 -1.26 0.64 121.76 133.00 1v8t s ALA 41 Ca 0.08 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 51.95 1v8t s ALA 41 Cb -0.16 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 1v8t s ALA 41 CO 0.10 -0.07 -0.13 -1.17 0.00 0.00 0.00 175.76 174.49 1v8t s LEU 42 N 1.04 2.82 -0.27 0.00 2.96 -1.26 -1.33 118.68 122.64 1v8t s LEU 42 Ca -0.09 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 1v8t s LEU 42 Cb -0.14 -1.63 0.14 0.00 0.50 0.00 0.00 46.19 45.06 1v8t s LEU 42 CO -0.00 0.28 0.54 -0.60 -1.32 0.00 0.00 176.35 175.24 1v8t s ARG 43 N -1.34 0.48 -1.37 1.98 3.52 0.27 -4.91 118.95 117.57 1v8t s ARG 43 Ca 0.15 1.05 -0.05 0.00 -0.13 0.00 0.00 55.73 56.75 1v8t s ARG 43 Cb -0.11 0.40 0.03 0.00 -1.56 0.00 0.00 34.95 33.71 1v8t s ARG 43 CO 0.05 -0.44 0.81 0.39 -0.81 0.00 0.00 175.30 175.31 1v8t n GLU 44 N 5.42 -5.28 -0.90 5.12 1.02 -1.26 -1.51 120.64 123.24 1v8t n GLU 44 Ca -0.06 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1v8t n GLU 44 Cb 0.50 -5.32 0.00 0.00 -0.02 0.00 0.00 31.44 26.60 1v8t n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v8t n GLY 45 N -1.62 0.69 3.54 0.62 0.00 -1.26 -5.01 105.19 102.15 1v8t n GLY 45 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1v8t n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1v8t s ARG 46 N -0.29 2.61 0.06 1.61 0.52 -0.57 -4.25 118.95 118.63 1v8t s ARG 46 Ca 0.00 -0.64 -0.07 0.00 -0.52 0.00 0.00 55.73 54.51 1v8t s ARG 46 Cb 0.00 -2.48 -0.05 0.00 0.52 0.00 0.00 34.95 32.94 1v8t s ARG 46 CO 0.00 0.64 0.32 1.41 0.02 0.00 0.00 175.30 177.69 1v8t s MET 47 N -0.86 3.63 -0.83 3.54 -2.45 0.18 -0.57 119.30 121.94 1v8t s MET 47 Ca 0.13 -0.03 -0.21 0.00 -1.25 0.00 0.00 55.69 54.32 1v8t s MET 47 Cb -0.11 -3.01 0.09 0.00 1.25 0.00 0.00 34.83 33.06 1v8t s MET 47 CO 0.02 0.58 1.12 -1.17 1.05 0.00 0.00 175.02 176.62 1v8t s LEU 48 N -2.03 4.48 0.44 4.11 2.96 -0.45 -1.28 118.68 126.91 1v8t s LEU 48 Ca 0.32 -1.47 0.04 0.00 -0.22 0.00 0.00 54.13 52.81 1v8t s LEU 48 Cb -0.13 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.13 1v8t s LEU 48 CO 0.19 -1.31 0.62 -0.36 -1.32 0.00 0.00 176.35 174.17 1v8t s PHE 49 N 3.70 2.98 0.06 5.38 0.40 -0.30 -4.19 117.98 126.01 1v8t s PHE 49 Ca 0.31 -0.13 -0.08 0.00 -0.60 0.00 0.00 56.93 56.43 1v8t s PHE 49 Cb -0.09 -2.37 -0.00 0.00 0.51 0.00 0.00 43.02 41.06 1v8t s PHE 49 CO -0.01 -0.43 0.17 0.14 0.70 0.00 0.00 175.22 175.79 1v8t s VAL 50 N -2.46 0.13 -0.02 -0.44 -7.23 0.16 -0.42 120.40 110.13 1v8t s VAL 50 Ca 0.52 -1.09 -0.02 0.00 -1.81 0.00 0.00 61.98 59.58 1v8t s VAL 50 Cb -0.10 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.72 1v8t s VAL 50 CO 0.35 -0.60 0.06 -0.13 -0.31 0.00 0.00 175.10 174.46 1v8t s ARG 51 N -3.18 0.11 0.02 4.82 0.52 0.55 -1.66 118.95 120.13 1v8t s ARG 51 Ca -0.00 0.00 -0.14 0.00 -0.52 0.00 0.00 55.73 55.07 1v8t s ARG 51 Cb 0.02 0.05 0.02 0.00 0.52 0.00 0.00 34.95 35.56 1v8t s ARG 51 CO -0.07 -0.02 0.31 1.14 0.02 0.00 0.00 175.30 176.68 1v8t s GLN 52 N -0.16 0.75 0.25 3.54 -2.07 -1.26 0.89 119.66 121.60 1v8t s GLN 52 Ca -0.02 -0.37 -0.30 0.00 -1.82 0.00 0.00 55.36 52.85 1v8t s GLN 52 Cb -0.02 0.33 -0.10 0.00 -1.09 0.00 0.00 33.01 32.14 1v8t s GLN 52 CO 0.00 -0.23 1.35 1.41 -1.32 0.00 0.00 175.29 176.51 1v8t s MET 53 N -2.04 4.34 -0.41 9.60 -2.45 -1.26 -4.51 119.30 122.58 1v8t s MET 53 Ca -0.09 2.18 0.04 0.00 -1.25 0.00 0.00 55.69 56.58 1v8t s MET 53 Cb -0.03 -3.13 0.11 0.00 1.25 0.00 0.00 34.83 33.03 1v8t s MET 53 CO -0.00 -0.29 0.13 1.03 1.05 0.00 0.00 175.02 176.94 1v8t s ARG 54 N -0.66 1.66 0.56 4.11 1.81 -1.05 -4.98 118.95 120.40 1v8t s ARG 54 Ca 0.55 -2.16 0.24 0.00 -1.72 0.00 0.00 55.73 52.65 1v8t s ARG 54 Cb -0.39 -3.24 1.54 0.00 -0.45 0.00 0.00 34.95 32.41 1v8t s ARG 54 CO 0.44 -1.01 2.14 -1.00 -0.68 0.00 0.00 175.30 175.19 1v8t h PRO 55 N 7.19 0.00 0.00 3.54 0.13 -1.93 0.11 132.00 141.03 1v8t h PRO 55 Ca -0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1v8t h PRO 55 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 1v8t h PRO 55 CO 0.58 0.00 -0.21 0.00 -0.23 0.00 0.00 178.00 178.14 1v8t h ALA 56 N 1.89 1.46 -0.00 -0.56 0.00 -1.94 -3.19 119.26 116.92 1v8t h ALA 56 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1v8t h ALA 56 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1v8t h ALA 56 CO -0.00 0.27 -0.00 1.33 0.00 0.00 0.00 179.25 180.84 1v8t n VAL 57 N -4.01 0.00 -0.86 0.00 0.24 -0.60 -5.01 118.33 108.09 1v8t n VAL 57 Ca -0.02 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1v8t n VAL 57 Cb 0.29 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 1v8t n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1v8t n GLY 58 N 0.15 0.38 3.41 7.63 0.00 0.29 -4.95 105.19 112.10 1v8t n GLY 58 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1v8t n GLY 58 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1v8t s LEU 59 N 0.00 1.36 -0.57 0.99 0.05 -1.22 -4.96 118.68 114.32 1v8t s LEU 59 Ca 0.00 -1.64 0.01 0.00 0.05 0.00 0.00 54.13 52.54 1v8t s LEU 59 Cb 0.00 1.13 0.15 0.00 -2.05 0.00 0.00 46.19 45.42 1v8t s LEU 59 CO 0.00 -1.24 0.35 0.00 -0.55 0.00 0.00 176.35 174.91 1v8t s ALA 60 N -3.09 3.45 0.91 1.48 0.00 -1.26 -2.53 121.76 120.72 1v8t s ALA 60 Ca 0.35 -3.28 -0.11 0.00 0.00 0.00 0.00 51.96 48.91 1v8t s ALA 60 Cb 0.00 -2.41 0.14 0.00 0.00 0.00 0.00 23.12 20.85 1v8t s ALA 60 CO 0.25 -2.06 1.09 -1.25 0.00 0.00 0.00 175.76 173.78 1v8t s PRO 61 N -0.20 1.16 -0.09 0.00 0.04 -1.26 -4.81 135.00 129.83 1v8t s PRO 61 Ca 0.17 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 61.80 1v8t s PRO 61 Cb -0.23 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1v8t s PRO 61 CO -0.02 -2.33 0.96 -1.17 0.04 0.00 0.00 177.00 174.49 1v8t s LEU 62 N -6.29 4.26 0.00 -3.56 2.96 -0.02 -4.63 118.68 111.41 1v8t s LEU 62 Ca 0.64 1.48 0.05 0.00 -0.22 0.00 0.00 54.13 56.09 1v8t s LEU 62 Cb -0.19 -3.49 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 1v8t s LEU 62 CO 0.57 -0.39 0.19 -0.62 -1.32 0.00 0.00 176.35 174.79 1v8t n GLU 63 N 4.77 0.48 -4.32 1.98 1.02 -0.66 -2.20 120.64 121.71 1v8t n GLU 63 Ca 0.07 -2.96 -0.20 0.00 -0.02 0.00 0.00 57.16 54.05 1v8t n GLU 63 Cb 0.49 2.04 -0.11 0.00 -0.02 0.00 0.00 31.44 33.85 1v8t n GLU 63 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1v8t s ILE 64 N -3.05 1.69 -0.18 -3.67 -4.36 -1.26 0.40 121.20 110.77 1v8t s ILE 64 Ca 0.27 -1.97 -0.42 0.00 -0.26 0.00 0.00 60.65 58.28 1v8t s ILE 64 Cb 0.01 -1.84 -0.19 0.00 1.25 0.00 0.00 42.46 41.70 1v8t s ILE 64 CO 0.19 -0.42 1.39 -2.65 0.24 0.00 0.00 174.94 173.69 1v8t n PRO 65 N 0.14 0.38 -3.78 0.37 -0.02 -1.26 -4.71 135.00 126.13 1v8t n PRO 65 Ca -0.12 0.14 -0.09 0.00 -2.02 0.00 0.00 63.50 61.41 1v8t n PRO 65 Cb 0.58 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 1v8t n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1v8t s ALA 66 N 1.58 -1.08 0.00 3.55 0.00 -1.26 -0.48 121.76 124.07 1v8t s ALA 66 Ca 0.95 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1v8t s ALA 66 Cb -1.26 0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1v8t s ALA 66 CO 0.64 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1v8t n GLY 67 N -0.41 -0.78 3.79 0.00 0.00 -0.96 -4.97 105.19 101.86 1v8t n GLY 67 Ca -0.07 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 1v8t n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8t s LEU 68 N 0.00 4.53 -0.12 0.99 1.02 -1.26 -1.25 118.68 122.58 1v8t s LEU 68 Ca 0.00 1.50 -0.29 0.00 0.02 0.00 0.00 54.13 55.36 1v8t s LEU 68 Cb 0.00 -3.24 -0.02 0.00 0.02 0.00 0.00 46.19 42.95 1v8t s LEU 68 CO 0.00 0.20 1.27 -0.63 0.02 0.00 0.00 176.35 177.20 1v8t s ILE 69 N -1.21 4.22 0.71 -0.59 1.01 -0.45 -4.92 121.20 119.98 1v8t s ILE 69 Ca 0.35 1.50 -0.11 0.00 0.00 0.00 0.00 60.65 62.39 1v8t s ILE 69 Cb -0.21 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.31 1v8t s ILE 69 CO 0.23 -0.09 1.08 -1.61 0.00 0.00 0.00 174.94 174.55 1v8t s GLU 70 N 3.13 2.79 0.47 2.79 0.41 -1.26 -4.80 118.70 122.23 1v8t s GLU 70 Ca 0.56 0.68 -0.24 0.00 -0.41 0.00 0.00 54.97 55.56 1v8t s GLU 70 Cb -0.23 -2.00 -0.08 0.00 -1.78 0.00 0.00 34.13 30.04 1v8t s GLU 70 CO 0.18 -1.13 1.40 -0.35 -0.49 0.00 0.00 175.26 174.86 1v8t n PRO 71 N -3.11 2.10 -0.89 0.39 -0.04 -1.26 -1.96 135.00 130.22 1v8t n PRO 71 Ca 0.07 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1v8t n PRO 71 Cb 0.55 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 1v8t n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1v8t n GLY 72 N 0.64 0.47 3.56 0.55 0.00 -1.26 -4.99 105.19 104.16 1v8t n GLY 72 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1v8t n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1v8t s GLU 73 N -0.58 2.60 0.36 1.61 2.12 -0.83 -5.13 118.70 118.86 1v8t s GLU 73 Ca 0.00 -0.66 0.07 0.00 0.36 0.00 0.00 54.97 54.75 1v8t s GLU 73 Cb 0.00 -2.50 -0.01 0.00 0.26 0.00 0.00 34.13 31.88 1v8t s GLU 73 CO 0.00 0.63 0.42 0.16 -0.54 0.00 0.00 175.26 175.93 1v8t s ASP 74 N -1.02 5.60 0.20 -1.70 1.47 -1.26 -4.70 116.67 115.26 1v8t s ASP 74 Ca 0.14 -0.39 -0.22 0.00 1.18 0.00 0.00 52.55 53.26 1v8t s ASP 74 Cb -0.11 -0.97 0.14 0.00 -0.34 0.00 0.00 42.92 41.64 1v8t s ASP 74 CO 0.03 -0.49 1.55 -0.65 0.68 0.00 0.00 175.17 176.29 1v8t h PRO 75 N 0.97 -0.04 0.16 2.11 0.11 -1.98 0.15 132.00 133.48 1v8t h PRO 75 Ca -0.44 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.69 1v8t h PRO 75 Cb 1.26 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1v8t h PRO 75 CO 0.54 -0.03 -0.26 1.25 -0.21 0.00 0.00 178.00 179.28 1v8t h LEU 76 N -0.04 -0.74 -0.44 2.35 5.85 -1.97 0.44 115.31 120.76 1v8t h LEU 76 Ca 0.28 0.08 0.07 0.00 0.84 0.00 0.00 57.88 59.15 1v8t h LEU 76 Cb 0.55 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 1v8t h LEU 76 CO -0.92 -0.36 0.11 -0.33 -0.34 0.00 0.00 178.44 176.60 1v8t h GLU 77 N -0.50 0.25 -0.57 1.25 5.08 -1.70 0.33 114.58 118.73 1v8t h GLU 77 Ca 0.02 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1v8t h GLU 77 Cb 0.51 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 1v8t h GLU 77 CO -0.12 0.17 0.31 0.00 -1.00 0.00 0.00 179.01 178.36 1v8t h ALA 78 N 1.32 0.74 -0.39 3.43 0.00 -0.23 -1.11 119.26 123.02 1v8t h ALA 78 Ca 0.21 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1v8t h ALA 78 Cb 0.25 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1v8t h ALA 78 CO -0.26 -0.02 0.12 0.00 0.00 0.00 0.00 179.25 179.09 1v8t h ALA 79 N 1.29 0.44 -0.28 0.00 0.00 0.15 -0.69 119.26 120.18 1v8t h ALA 79 Ca 0.25 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1v8t h ALA 79 Cb 0.13 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1v8t h ALA 79 CO -0.16 -0.28 0.15 -0.09 0.00 0.00 0.00 179.25 178.88 1v8t h ARG 80 N 0.27 0.31 -0.27 0.00 2.43 -0.34 -2.14 114.38 114.63 1v8t h ARG 80 Ca 0.18 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1v8t h ARG 80 Cb 0.18 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1v8t h ARG 80 CO -0.20 0.20 0.16 -0.09 -1.51 0.00 0.00 179.97 178.54 1v8t h ARG 81 N 0.31 0.37 -0.59 0.20 2.43 -0.79 -2.17 114.38 114.15 1v8t h ARG 81 Ca 0.11 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1v8t h ARG 81 Cb 0.02 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1v8t h ARG 81 CO -0.07 0.30 0.35 0.93 -1.51 0.00 0.00 179.97 179.97 1v8t h GLU 82 N 0.34 0.80 -0.44 0.20 4.39 -1.00 0.32 114.58 119.21 1v8t h GLU 82 Ca 0.10 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1v8t h GLU 82 Cb 0.02 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1v8t h GLU 82 CO -0.02 0.59 0.29 1.25 -1.16 0.00 0.00 179.01 179.96 1v8t h LEU 83 N 0.80 0.50 -0.18 1.33 5.85 -1.28 0.22 115.31 122.55 1v8t h LEU 83 Ca 0.21 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1v8t h LEU 83 Cb -0.01 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1v8t h LEU 83 CO -0.04 0.36 -0.07 0.00 -0.34 0.00 0.00 178.44 178.36 1v8t h ALA 84 N 1.16 0.25 -0.05 1.25 0.00 -0.98 -0.15 119.26 120.75 1v8t h ALA 84 Ca 0.16 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1v8t h ALA 84 Cb -0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1v8t h ALA 84 CO -0.04 0.05 -0.50 0.93 0.00 0.00 0.00 179.25 179.69 1v8t h GLU 85 N 0.06 0.13 0.00 0.00 5.08 -0.24 0.27 114.58 119.88 1v8t h GLU 85 Ca 0.04 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.14 1v8t h GLU 85 Cb 0.53 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1v8t h GLU 85 CO 0.02 0.61 -1.65 0.39 -1.00 0.00 0.00 179.01 177.38 1v8t n GLU 86 N -3.94 0.64 0.00 2.33 1.02 0.05 -4.61 120.64 116.13 1v8t n GLU 86 Ca -0.02 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1v8t n GLU 86 Cb 0.53 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1v8t n GLU 86 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1v8t n THR 87 N -2.81 0.00 -1.39 2.62 -2.24 -0.09 -4.81 114.28 105.56 1v8t n THR 87 Ca -0.13 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.29 1v8t n THR 87 Cb 0.87 1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 70.32 1v8t n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v8t n GLY 88 N 0.23 1.35 3.53 3.38 0.00 0.96 -4.90 105.19 109.75 1v8t n GLY 88 Ca 0.00 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 1v8t n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8t s LEU 89 N -2.94 2.81 0.09 0.99 1.43 -1.23 -0.42 118.68 119.41 1v8t s LEU 89 Ca 0.00 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.33 1v8t s LEU 89 Cb 0.00 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1v8t s LEU 89 CO 0.00 0.06 -0.07 -0.94 0.23 0.00 0.00 176.35 175.62 1v8t s SER 90 N -3.25 1.15 0.00 2.29 1.04 -0.76 -2.99 113.70 111.17 1v8t s SER 90 Ca 0.28 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1v8t s SER 90 Cb -0.07 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1v8t s SER 90 CO 0.15 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1v8t n GLY 91 N 0.36 1.39 3.57 7.32 0.00 -1.26 -0.46 105.19 116.11 1v8t n GLY 91 Ca -0.15 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1v8t n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1v8t s ASP 92 N -0.92 6.38 -0.12 1.61 1.01 0.16 -4.82 116.67 119.97 1v8t s ASP 92 Ca 0.00 0.14 -0.07 0.00 0.71 0.00 0.00 52.55 53.33 1v8t s ASP 92 Cb 0.00 -2.29 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 1v8t s ASP 92 CO 0.00 -0.48 0.13 -0.76 0.21 0.00 0.00 175.17 174.27 1v8t s LEU 93 N 2.48 4.34 -0.05 1.23 1.43 -1.25 -1.03 118.68 125.83 1v8t s LEU 93 Ca 0.21 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.79 1v8t s LEU 93 Cb -0.15 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1v8t s LEU 93 CO 0.13 0.40 -0.14 -0.89 0.23 0.00 0.00 176.35 176.08 1v8t s THR 94 N -0.97 1.19 -0.07 5.49 2.01 -0.34 -4.94 115.64 118.00 1v8t s THR 94 Ca 0.15 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 1v8t s THR 94 Cb -0.12 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 1v8t s THR 94 CO 0.04 0.36 1.36 -0.47 -0.69 0.00 0.00 174.62 175.22 1v8t s TYR 95 N 0.28 2.76 -0.15 4.92 5.04 -1.26 -1.29 117.35 127.65 1v8t s TYR 95 Ca -0.07 0.84 -0.13 0.00 -2.44 0.00 0.00 57.07 55.27 1v8t s TYR 95 Cb -0.12 -3.61 -0.04 0.00 0.35 0.00 0.00 41.96 38.53 1v8t s TYR 95 CO 0.02 -2.25 -0.25 1.28 -1.34 0.00 0.00 175.55 173.02 1v8t n LEU 96 N 6.04 1.73 0.00 6.97 4.77 -0.29 -4.96 117.00 131.26 1v8t n LEU 96 Ca 0.14 0.44 -0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1v8t n LEU 96 Cb 0.44 -0.77 0.01 0.00 -2.33 0.00 0.00 43.42 40.77 1v8t n LEU 96 CO 0.58 -0.37 0.61 2.22 -1.33 0.00 0.00 177.39 179.10 1v8t n PHE 97 N -4.36 -0.74 -4.01 -1.77 -0.00 -1.20 -5.04 117.46 100.34 1v8t n PHE 97 Ca -0.10 -0.67 -0.10 0.00 -0.00 0.00 0.00 57.45 56.58 1v8t n PHE 97 Cb 0.37 0.32 -0.07 0.00 -0.00 0.00 0.00 39.48 40.10 1v8t n PHE 97 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1v8t s SER 98 N -2.71 0.06 0.09 5.98 1.04 -1.26 -0.46 113.70 116.45 1v8t s SER 98 Ca 0.17 -0.97 -0.25 0.00 0.48 0.00 0.00 55.95 55.38 1v8t s SER 98 Cb -0.01 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.61 1v8t s SER 98 CO 0.02 -0.90 0.60 -0.72 0.98 0.00 0.00 173.24 173.22 1v8t s TYR 99 N -4.00 -0.54 -0.28 5.02 1.13 -0.59 -4.98 117.35 113.10 1v8t s TYR 99 Ca 0.21 0.53 -0.18 0.00 -1.41 0.00 0.00 57.07 56.21 1v8t s TYR 99 Cb 0.04 0.49 -0.02 0.00 -1.10 0.00 0.00 41.96 41.36 1v8t s TYR 99 CO 0.03 -0.76 0.54 -0.06 -2.51 0.00 0.00 175.55 172.78 1v8t s PHE 100 N -2.97 3.24 0.23 -3.49 0.40 -1.26 -0.51 117.98 113.62 1v8t s PHE 100 Ca -0.03 0.56 -0.08 0.00 -0.60 0.00 0.00 56.93 56.79 1v8t s PHE 100 Cb -0.01 -2.80 0.39 0.00 0.51 0.00 0.00 43.02 41.12 1v8t s PHE 100 CO -0.06 -0.36 1.65 -0.39 0.70 0.00 0.00 175.22 176.77 1v8t h VAL 101 N 5.46 0.43 -0.66 -0.44 -1.51 -1.74 -3.36 116.25 114.42 1v8t h VAL 101 Ca -0.28 -0.05 -0.22 0.00 -1.23 0.00 0.00 66.70 64.92 1v8t h VAL 101 Cb 1.13 0.28 -0.17 0.00 -2.13 0.00 0.00 31.29 30.40 1v8t h VAL 101 CO 0.74 0.03 -0.54 -0.24 -1.23 0.00 0.00 177.57 176.32 1v8t n SER 102 N -5.29 -2.90 0.00 4.19 2.88 -1.26 -5.00 113.62 106.24 1v8t n SER 102 Ca 0.12 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.60 1v8t n SER 102 Cb 0.43 1.57 0.00 0.00 -0.75 0.00 0.00 64.21 65.46 1v8t n SER 102 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1v8t n PRO 103 N 2.28 0.00 0.18 -1.46 -0.04 -1.24 -1.91 135.00 132.80 1v8t n PRO 103 Ca 0.15 0.08 0.07 0.00 -0.04 0.00 0.00 63.50 63.75 1v8t n PRO 103 Cb 0.59 -1.53 0.18 0.00 -0.04 0.00 0.00 33.50 32.69 1v8t n PRO 103 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1v8t h GLY 104 N 0.00 0.00 0.00 0.55 0.00 -1.95 -3.41 103.07 98.26 1v8t h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1v8t h GLY 104 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.51 1v8t n PHE 105 N -3.24 0.00 -4.39 5.60 1.16 -0.82 -4.97 117.46 110.80 1v8t n PHE 105 Ca 0.02 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.36 1v8t n PHE 105 Cb 0.61 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.37 1v8t n PHE 105 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1v8t s THR 106 N -0.26 2.11 -0.80 1.97 -1.32 -0.80 -0.77 115.64 115.76 1v8t s THR 106 Ca 0.00 -2.04 0.16 0.00 -1.21 0.00 0.00 61.69 58.61 1v8t s THR 106 Cb 0.00 -2.02 0.64 0.00 -1.51 0.00 0.00 72.50 69.61 1v8t s THR 106 CO 0.00 -0.26 1.55 -0.90 -2.21 0.00 0.00 174.62 172.80 1v8t n ASP 107 N 0.13 4.47 -4.70 8.08 3.85 -1.18 -3.73 116.55 123.47 1v8t n ASP 107 Ca -0.12 -2.56 -0.42 0.00 -0.71 0.00 0.00 54.79 50.99 1v8t n ASP 107 Cb 0.57 -0.54 -0.03 0.00 -1.35 0.00 0.00 41.12 39.77 1v8t n ASP 107 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1v8t s GLU 108 N -2.04 4.13 -0.08 0.11 2.12 -1.26 -4.78 118.70 116.89 1v8t s GLU 108 Ca 0.46 2.61 0.04 0.00 0.36 0.00 0.00 54.97 58.45 1v8t s GLU 108 Cb 0.31 -3.35 -0.00 0.00 0.26 0.00 0.00 34.13 31.35 1v8t s GLU 108 CO 0.19 -0.81 -0.22 0.21 -0.54 0.00 0.00 175.26 174.10 1v8t s LYS 109 N 2.02 2.62 -0.12 4.30 2.20 -1.26 -1.97 119.74 127.53 1v8t s LYS 109 Ca 0.78 -0.78 -0.02 0.00 -0.36 0.00 0.00 55.97 55.59 1v8t s LYS 109 Cb -0.48 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 33.75 1v8t s LYS 109 CO 0.34 0.20 -0.04 0.99 -0.36 0.00 0.00 175.35 176.49 1v8t s THR 110 N 0.27 3.95 -0.28 3.43 2.01 0.33 -0.17 115.64 125.18 1v8t s THR 110 Ca -0.14 -0.36 -0.07 0.00 0.31 0.00 0.00 61.69 61.43 1v8t s THR 110 Cb -0.16 -2.69 -0.00 0.00 0.01 0.00 0.00 72.50 69.66 1v8t s THR 110 CO 0.07 0.54 0.07 -1.00 -0.69 0.00 0.00 174.62 173.60 1v8t s HIS 111 N -0.17 3.11 -0.10 4.92 0.09 0.70 -1.54 115.29 122.31 1v8t s HIS 111 Ca 0.03 -0.82 -0.15 0.00 -0.00 0.00 0.00 55.06 54.12 1v8t s HIS 111 Cb -0.13 -2.24 -0.05 0.00 -0.00 0.00 0.00 32.58 30.17 1v8t s HIS 111 CO 0.02 -0.51 0.37 0.08 -0.00 0.00 0.00 174.74 174.70 1v8t s VAL 112 N 1.53 5.19 0.22 -0.90 1.01 0.39 -1.08 120.40 126.76 1v8t s VAL 112 Ca 0.04 0.74 0.09 0.00 0.00 0.00 0.00 61.98 62.85 1v8t s VAL 112 Cb -0.16 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 1v8t s VAL 112 CO 0.02 0.44 -0.16 -0.36 0.00 0.00 0.00 175.10 175.04 1v8t s PHE 113 N -0.05 1.87 -0.08 5.22 0.40 0.13 -1.13 117.98 124.34 1v8t s PHE 113 Ca 0.21 -0.50 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 1v8t s PHE 113 Cb -0.15 -0.86 -0.03 0.00 0.51 0.00 0.00 43.02 42.49 1v8t s PHE 113 CO 0.09 0.44 -0.10 -1.17 0.70 0.00 0.00 175.22 175.18 1v8t s LEU 114 N -3.25 2.96 -0.08 -0.37 2.96 -0.41 0.66 118.68 121.15 1v8t s LEU 114 Ca 0.23 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1v8t s LEU 114 Cb -0.03 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 1v8t s LEU 114 CO 0.09 0.31 -0.16 0.00 -1.32 0.00 0.00 176.35 175.27 1v8t s ALA 115 N -0.51 2.53 0.10 5.97 0.00 0.21 -1.20 121.76 128.86 1v8t s ALA 115 Ca 0.07 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1v8t s ALA 115 Cb -0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 1v8t s ALA 115 CO 0.02 0.41 -0.08 -1.21 0.00 0.00 0.00 175.76 174.89 1v8t s GLU 116 N -0.19 0.82 -1.23 0.00 2.02 -0.20 -4.21 118.70 115.71 1v8t s GLU 116 Ca -0.01 -1.21 -0.02 0.00 0.02 0.00 0.00 54.97 53.75 1v8t s GLU 116 Cb -0.13 -0.38 -0.01 0.00 0.10 0.00 0.00 34.13 33.71 1v8t s GLU 116 CO 0.03 0.04 0.83 0.09 0.02 0.00 0.00 175.26 176.27 1v8t n ASN 117 N 0.34 -2.37 -4.75 -0.19 3.02 -1.26 0.37 115.26 110.41 1v8t n ASN 117 Ca -0.15 -0.75 -0.41 0.00 -0.03 0.00 0.00 54.58 53.24 1v8t n ASN 117 Cb 0.59 -4.51 -0.02 0.00 -0.61 0.00 0.00 39.78 35.23 1v8t n ASN 117 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1v8t s LEU 118 N -6.40 4.40 -0.01 3.41 1.43 -1.26 -4.44 118.68 115.80 1v8t s LEU 118 Ca 0.09 2.67 0.03 0.00 -1.03 0.00 0.00 54.13 55.89 1v8t s LEU 118 Cb -0.02 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.57 1v8t s LEU 118 CO 0.78 -0.65 -0.09 -1.59 0.23 0.00 0.00 176.35 175.03 1v8t s LYS 119 N -0.88 0.80 -0.29 1.70 -2.85 0.39 -4.95 119.74 113.66 1v8t s LYS 119 Ca 0.56 -0.31 -0.29 0.00 -1.00 0.00 0.00 55.97 54.93 1v8t s LYS 119 Cb -0.41 -0.77 -0.02 0.00 -2.06 0.00 0.00 37.83 34.57 1v8t s LYS 119 CO 0.47 0.17 1.78 -2.00 0.10 0.00 0.00 175.35 175.87 1v8t s GLU 120 N -0.08 3.44 0.00 1.78 2.56 -1.26 -1.84 118.70 123.30 1v8t s GLU 120 Ca 0.01 1.53 0.11 0.00 0.00 0.00 0.00 54.97 56.63 1v8t s GLU 120 Cb -0.05 -4.17 -0.04 0.00 2.00 0.00 0.00 34.13 31.86 1v8t s GLU 120 CO -0.00 -1.73 0.60 0.28 -0.56 0.00 0.00 175.26 173.85 1v8t n VAL 121 N 7.21 0.00 -3.67 3.70 0.31 -0.01 -4.98 118.33 120.88 1v8t n VAL 121 Ca 0.22 -0.33 -0.14 0.00 -0.01 0.00 0.00 64.34 64.08 1v8t n VAL 121 Cb 0.46 1.09 -0.08 0.00 -0.91 0.00 0.00 33.84 34.40 1v8t n VAL 121 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1v8t s GLU 122 N -1.68 0.72 -0.46 5.55 2.12 0.44 -4.98 118.70 120.42 1v8t s GLU 122 Ca 0.08 0.36 0.03 0.00 0.36 0.00 0.00 54.97 55.80 1v8t s GLU 122 Cb 0.09 0.34 0.13 0.00 0.26 0.00 0.00 34.13 34.94 1v8t s GLU 122 CO 0.34 -0.16 0.22 0.00 -0.54 0.00 0.00 175.26 175.12 1v8t s ALA 123 N -0.50 2.83 -1.27 6.30 0.00 -1.26 -4.63 121.76 123.24 1v8t s ALA 123 Ca -0.06 -2.90 -0.05 0.00 0.00 0.00 0.00 51.96 48.95 1v8t s ALA 123 Cb -0.03 -2.03 0.12 0.00 0.00 0.00 0.00 23.12 21.17 1v8t s ALA 123 CO 0.04 -1.97 2.41 0.00 0.00 0.00 0.00 175.76 176.24 1v8t n ALA 130 N 3.48 6.79 -3.88 0.00 0.00 -1.26 -5.00 120.51 120.65 1v8t n ALA 130 Ca 0.05 -4.02 -0.30 0.00 0.00 0.00 0.00 53.44 49.18 1v8t n ALA 130 Cb 0.35 -2.73 -0.14 0.00 0.00 0.00 0.00 19.45 16.92 1v8t n ALA 130 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1v8t s ILE 131 N -1.22 1.97 0.05 0.00 -1.16 -1.26 -4.50 121.20 115.07 1v8t s ILE 131 Ca 0.54 -2.60 -0.30 0.00 -0.51 0.00 0.00 60.65 57.78 1v8t s ILE 131 Cb 0.20 -2.41 -0.08 0.00 0.61 0.00 0.00 42.46 40.78 1v8t s ILE 131 CO -0.10 -0.75 1.77 -0.70 -2.81 0.00 0.00 174.94 172.35 1v8t s GLU 132 N 0.46 4.17 -0.18 3.50 2.12 0.26 -4.78 118.70 124.24 1v8t s GLU 132 Ca 0.14 2.44 -0.26 0.00 0.36 0.00 0.00 54.97 57.65 1v8t s GLU 132 Cb -0.23 -3.82 -0.01 0.00 0.26 0.00 0.00 34.13 30.33 1v8t s GLU 132 CO -0.06 -0.84 0.88 0.08 -0.54 0.00 0.00 175.26 174.79 1v8t s VAL 133 N 3.42 4.83 -0.42 3.70 1.01 -1.26 -0.33 120.40 131.35 1v8t s VAL 133 Ca 0.79 1.73 0.03 0.00 0.00 0.00 0.00 61.98 64.53 1v8t s VAL 133 Cb -0.41 -4.18 0.12 0.00 0.00 0.00 0.00 36.38 31.91 1v8t s VAL 133 CO 0.35 -0.02 0.18 -0.69 0.00 0.00 0.00 175.10 174.91 1v8t s VAL 134 N 2.40 1.92 0.01 2.92 1.01 0.44 -4.97 120.40 124.13 1v8t s VAL 134 Ca 0.40 -2.57 -0.30 0.00 0.00 0.00 0.00 61.98 59.50 1v8t s VAL 134 Cb -0.16 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1v8t s VAL 134 CO 0.11 -0.76 1.10 0.26 0.00 0.00 0.00 175.10 175.82 1v8t s TRP 135 N 0.48 3.49 -0.22 5.22 0.52 -1.26 -1.15 118.94 126.02 1v8t s TRP 135 Ca 0.15 1.46 -0.26 0.00 0.02 0.00 0.00 56.10 57.47 1v8t s TRP 135 Cb -0.23 -3.29 0.07 0.00 -1.15 0.00 0.00 33.47 28.87 1v8t s TRP 135 CO -0.06 -0.72 0.70 1.41 0.02 0.00 0.00 176.95 178.29 1v8t s MET 136 N 1.27 0.87 0.02 4.98 1.75 -0.40 -4.93 119.30 122.85 1v8t s MET 136 Ca 0.55 0.83 -0.30 0.00 -1.25 0.00 0.00 55.69 55.52 1v8t s MET 136 Cb -0.25 0.42 -0.06 0.00 2.84 0.00 0.00 34.83 37.78 1v8t s MET 136 CO 0.27 -0.14 1.46 1.03 -0.65 0.00 0.00 175.02 176.98 1v8t s ARG 137 N 0.06 4.26 0.46 4.11 0.52 -1.26 0.50 118.95 127.60 1v8t s ARG 137 Ca -0.02 2.05 0.31 0.00 -0.52 0.00 0.00 55.73 57.54 1v8t s ARG 137 Cb -0.04 -3.58 1.41 0.00 0.52 0.00 0.00 34.95 33.26 1v8t s ARG 137 CO 0.03 -0.61 1.69 -1.35 0.02 0.00 0.00 175.30 175.07 1v8t h PRO 138 N 7.94 0.13 -0.50 3.54 0.11 -1.92 0.36 132.00 141.65 1v8t h PRO 138 Ca -0.39 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 1v8t h PRO 138 Cb 1.18 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1v8t h PRO 138 CO 0.91 0.09 0.08 0.93 -0.21 0.00 0.00 178.00 179.80 1v8t h GLU 139 N 0.14 0.79 0.07 1.05 3.07 -1.92 -0.80 114.58 116.98 1v8t h GLU 139 Ca 0.73 -0.17 -0.25 0.00 -0.50 0.00 0.00 59.36 59.17 1v8t h GLU 139 Cb 2.40 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 30.20 1v8t h GLU 139 CO -0.26 0.74 -1.10 0.93 -1.40 0.00 0.00 179.01 177.92 1v8t h GLU 140 N 0.75 0.34 -0.41 2.33 4.39 -0.68 -1.62 114.58 119.68 1v8t h GLU 140 Ca 0.16 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 1v8t h GLU 140 Cb 0.34 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1v8t h GLU 140 CO 0.00 1.16 0.24 0.00 -1.16 0.00 0.00 179.01 179.25 1v8t h ALA 141 N 0.66 0.52 -0.86 3.43 0.00 -1.23 0.15 119.26 121.93 1v8t h ALA 141 Ca -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1v8t h ALA 141 Cb 1.78 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1v8t h ALA 141 CO 0.18 0.03 0.54 1.25 0.00 0.00 0.00 179.25 181.25 1v8t h LEU 142 N 0.53 1.02 -0.20 0.00 5.85 -1.10 -1.76 115.31 119.65 1v8t h LEU 142 Ca 0.15 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1v8t h LEU 142 Cb 0.03 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 1v8t h LEU 142 CO -0.03 0.76 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.59 1v8t h GLU 143 N 1.17 0.46 -0.92 1.25 4.81 -0.76 -1.84 114.58 118.75 1v8t h GLU 143 Ca 0.31 -0.23 0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1v8t h GLU 143 Cb -0.08 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.24 1v8t h GLU 143 CO -0.06 0.79 0.59 0.00 -0.73 0.00 0.00 179.01 179.60 1v8t h ARG 144 N 0.13 1.05 -0.09 1.92 3.08 -0.55 0.07 114.38 119.99 1v8t h ARG 144 Ca 0.04 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1v8t h ARG 144 Cb 0.70 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1v8t h ARG 144 CO 0.04 0.70 -0.01 1.25 -1.07 0.00 0.00 179.97 180.88 1v8t h HIS 145 N 1.08 0.19 -0.11 3.04 2.76 -1.28 0.24 115.15 121.08 1v8t h HIS 145 Ca 0.39 -0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.56 1v8t h HIS 145 Cb 0.14 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 1v8t h HIS 145 CO -0.02 0.46 0.10 1.96 -1.30 0.00 0.00 177.93 179.13 1v8t h GLN 146 N -0.13 0.00 -0.01 5.26 4.20 -0.89 0.89 115.11 124.44 1v8t h GLN 146 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1v8t h GLN 146 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1v8t h GLN 146 CO 0.01 0.00 -0.06 0.54 -0.67 0.00 0.00 178.83 178.64 1v8t n ARG 147 N -4.10 1.14 -1.03 1.46 1.74 -0.03 -4.91 116.66 110.93 1v8t n ARG 147 Ca -0.00 -0.50 -0.01 0.00 -0.77 0.00 0.00 57.85 56.57 1v8t n ARG 147 Cb 0.21 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1v8t n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1v8t n GLY 148 N 1.19 0.45 0.11 -0.13 0.00 0.31 -4.91 105.19 102.21 1v8t n GLY 148 Ca 0.18 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1v8t n GLY 148 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1v8t h GLU 149 N 0.62 0.19 -4.78 1.61 5.08 -0.73 -3.47 114.58 113.11 1v8t h GLU 149 Ca -0.02 -0.24 -0.29 0.00 -1.00 0.00 0.00 59.36 57.81 1v8t h GLU 149 Cb 0.26 0.08 -0.19 0.00 0.50 0.00 0.00 28.75 29.40 1v8t h GLU 149 CO 0.03 1.02 -0.73 0.54 -1.00 0.00 0.00 179.01 178.86 1v8t s VAL 150 N -3.03 0.74 0.44 3.13 0.11 -1.20 -4.98 120.40 115.62 1v8t s VAL 150 Ca -0.03 -1.43 0.08 0.00 -2.93 0.00 0.00 61.98 57.68 1v8t s VAL 150 Cb 0.09 -1.08 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1v8t s VAL 150 CO 0.84 -0.51 0.53 -1.61 -3.33 0.00 0.00 175.10 171.01 1v8t s GLU 151 N -2.38 2.68 0.02 1.54 0.41 -1.26 -4.22 118.70 115.49 1v8t s GLU 151 Ca -0.01 -1.39 0.05 0.00 -0.41 0.00 0.00 54.97 53.22 1v8t s GLU 151 Cb -0.05 -2.61 -0.02 0.00 -1.78 0.00 0.00 34.13 29.67 1v8t s GLU 151 CO -0.00 -0.31 -0.16 -0.06 -0.49 0.00 0.00 175.26 174.24 1v8t s PHE 152 N -2.43 1.41 0.59 1.61 2.99 -1.26 -0.84 117.98 120.05 1v8t s PHE 152 Ca 0.53 -0.32 0.03 0.00 0.00 0.00 0.00 56.93 57.17 1v8t s PHE 152 Cb -0.07 -0.86 0.07 0.00 0.00 0.00 0.00 43.02 42.15 1v8t s PHE 152 CO 0.32 0.03 0.81 -1.54 -0.00 0.00 0.00 175.22 174.84 1v8t s SER 153 N -0.86 5.02 0.18 1.36 1.04 -0.93 -4.85 113.70 114.66 1v8t s SER 153 Ca 0.04 -0.33 -0.12 0.00 0.48 0.00 0.00 55.95 56.03 1v8t s SER 153 Cb -0.07 -0.37 0.09 0.00 0.10 0.00 0.00 66.02 65.77 1v8t s SER 153 CO 0.01 -1.34 1.76 0.00 0.98 0.00 0.00 173.24 174.64 1v8t h ALA 154 N -0.01 0.80 -0.27 5.32 0.00 -2.00 -2.46 119.26 120.64 1v8t h ALA 154 Ca -0.38 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.40 1v8t h ALA 154 Cb 1.28 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1v8t h ALA 154 CO 0.45 0.38 0.13 1.79 0.00 0.00 0.00 179.25 182.01 1v8t h THR 155 N 0.86 0.99 0.05 0.00 1.35 -1.94 0.02 112.91 114.24 1v8t h THR 155 Ca 0.21 -0.10 0.02 0.00 -0.55 0.00 0.00 66.41 65.99 1v8t h THR 155 Cb 0.15 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 67.22 1v8t h THR 155 CO -0.02 0.05 -0.14 1.23 -0.25 0.00 0.00 175.52 176.39 1v8t h GLY 156 N 0.28 -0.21 0.65 5.82 0.00 -1.67 0.70 103.07 108.64 1v8t h GLY 156 Ca 0.11 0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.65 1v8t h GLY 156 CO -0.08 -0.14 0.12 -2.00 0.00 0.00 0.00 176.54 174.44 1v8t h LEU 157 N -0.26 0.11 -1.23 3.11 5.85 -1.19 -0.75 115.31 120.95 1v8t h LEU 157 Ca 0.03 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1v8t h LEU 157 Cb 0.29 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1v8t h LEU 157 CO -0.10 0.10 0.53 0.58 -0.34 0.00 0.00 178.44 179.20 1v8t h VAL 158 N 0.26 1.17 -0.21 1.05 2.07 -0.64 -0.28 116.25 119.67 1v8t h VAL 158 Ca 0.17 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1v8t h VAL 158 Cb 0.16 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1v8t h VAL 158 CO -0.19 0.19 0.09 1.23 0.02 0.00 0.00 177.57 178.92 1v8t h GLY 159 N 1.04 0.33 0.89 2.17 0.00 0.33 0.81 103.07 108.64 1v8t h GLY 159 Ca 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1v8t h GLY 159 CO -0.08 0.16 -0.16 -2.08 0.00 0.00 0.00 176.54 174.38 1v8t h VAL 160 N 0.20 0.68 -0.60 4.60 2.07 -0.51 -1.49 116.25 121.20 1v8t h VAL 160 Ca 0.07 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1v8t h VAL 160 Cb 0.14 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1v8t h VAL 160 CO -0.01 0.04 0.39 -0.07 0.02 0.00 0.00 177.57 177.94 1v8t h LEU 161 N -0.57 0.65 -0.56 2.57 3.38 -1.05 -0.76 115.31 118.98 1v8t h LEU 161 Ca -0.05 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1v8t h LEU 161 Cb 0.42 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1v8t h LEU 161 CO 0.08 0.47 0.28 0.22 0.09 0.00 0.00 178.44 179.57 1v8t h TYR 162 N 0.78 0.51 0.41 1.13 3.20 -0.77 0.63 116.97 122.86 1v8t h TYR 162 Ca 0.23 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 1v8t h TYR 162 Cb -0.05 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1v8t h TYR 162 CO -0.04 0.23 -0.27 -0.92 -1.64 0.00 0.00 178.16 175.52 1v8t h TYR 163 N 0.53 -0.71 0.00 -3.82 3.20 -0.64 0.33 116.97 115.86 1v8t h TYR 163 Ca 0.25 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 1v8t h TYR 163 Cb 0.18 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 1v8t h TYR 163 CO -0.11 -0.41 -0.00 0.45 -1.64 0.00 0.00 178.16 176.45 1v8t h HIS 164 N -0.66 0.00 0.10 -3.82 3.86 -0.76 0.81 115.15 114.68 1v8t h HIS 164 Ca -0.04 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.80 1v8t h HIS 164 Cb 0.55 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 1v8t h HIS 164 CO -0.11 0.00 -2.05 0.00 0.86 0.00 0.00 177.93 176.63 1v8t n ALA 165 N -2.13 0.98 -0.28 2.45 0.00 0.18 -4.77 120.51 116.94 1v8t n ALA 165 Ca -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1v8t n ALA 165 Cb 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1v8t n ALA 165 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1v8t n PHE 166 N -3.51 0.00 0.29 0.00 3.01 0.11 -4.84 117.46 112.52 1v8t n PHE 166 Ca -0.35 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.16 1v8t n PHE 166 Cb 1.02 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.55 1v8t n PHE 166 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1v8t n LEU 167 N -0.20 2.06 -0.33 4.37 4.77 0.26 -5.03 117.00 122.91 1v8t n LEU 167 Ca 0.00 -1.22 0.15 0.00 -0.03 0.00 0.00 56.01 54.90 1v8t n LEU 167 Cb 0.07 -0.05 0.66 0.00 -2.33 0.00 0.00 43.42 41.77 1v8t n LEU 167 CO 0.00 0.43 0.95 0.54 -1.33 0.00 0.00 177.39 177.98