#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v8y s THR 12 N 0.00 5.26 -0.18 5.15 -4.23 0.04 -4.89 115.64 116.79 1v8y s THR 12 Ca 0.00 0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.51 1v8y s THR 12 Cb 0.00 -3.30 -0.05 0.00 1.34 0.00 0.00 72.50 70.49 1v8y s THR 12 CO 0.00 0.58 0.22 -0.31 -0.54 0.00 0.00 174.62 174.57 1v8y s TYR 13 N -0.68 3.43 -0.05 3.99 1.51 -1.26 0.24 117.35 124.54 1v8y s TYR 13 Ca 0.13 0.47 0.20 0.00 -1.01 0.00 0.00 57.07 56.86 1v8y s TYR 13 Cb -0.12 -2.26 -0.31 0.00 -0.11 0.00 0.00 41.96 39.16 1v8y s TYR 13 CO 0.02 0.25 0.41 1.28 -1.11 0.00 0.00 175.55 176.40 1v8y n LEU 14 N 3.58 0.00 -3.64 -1.29 4.77 0.29 -4.97 117.00 115.73 1v8y n LEU 14 Ca -0.14 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.76 1v8y n LEU 14 Cb 0.52 0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 1v8y n LEU 14 CO 0.39 0.05 0.35 -0.47 -1.33 0.00 0.00 177.39 176.38 1v8y s TYR 15 N -3.31 -0.99 -0.29 -1.77 5.04 -1.01 -4.96 117.35 110.07 1v8y s TYR 15 Ca -0.08 2.06 0.03 0.00 -2.44 0.00 0.00 57.07 56.64 1v8y s TYR 15 Cb 0.12 0.54 0.07 0.00 0.35 0.00 0.00 41.96 43.05 1v8y s TYR 15 CO 0.84 -0.49 -0.05 1.03 -1.34 0.00 0.00 175.55 175.55 1v8y s ARG 16 N 1.34 2.02 0.00 4.97 0.52 -1.26 -0.00 118.95 126.53 1v8y s ARG 16 Ca -0.08 -1.52 0.00 0.00 -0.52 0.00 0.00 55.73 53.62 1v8y s ARG 16 Cb -0.05 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.40 1v8y s ARG 16 CO -0.15 -0.70 0.00 0.41 0.02 0.00 0.00 175.30 174.88 1v8y n GLY 17 N 4.39 4.76 0.09 -3.53 0.00 0.53 -5.00 105.19 106.44 1v8y n GLY 17 Ca -0.08 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 1v8y n GLY 17 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1v8y h ARG 18 N 0.00 -0.09 -0.07 1.61 2.43 -2.01 -3.38 114.38 112.87 1v8y h ARG 18 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1v8y h ARG 18 Cb 0.00 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1v8y h ARG 18 CO 0.00 0.48 0.00 0.44 -1.51 0.00 0.00 179.97 179.38 1v8y n ILE 19 N -4.82 0.37 -3.47 1.20 -5.35 -1.26 -5.04 119.36 100.98 1v8y n ILE 19 Ca -0.08 -0.68 -0.14 0.00 -0.27 0.00 0.00 62.75 61.57 1v8y n ILE 19 Cb 0.30 0.89 -0.04 0.00 -1.74 0.00 0.00 39.64 39.06 1v8y n ILE 19 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 1v8y s LEU 20 N -0.68 -0.54 0.01 7.28 0.05 -1.26 -3.88 118.68 119.66 1v8y s LEU 20 Ca 0.09 0.25 0.06 0.00 0.05 0.00 0.00 54.13 54.58 1v8y s LEU 20 Cb 0.05 2.53 -0.02 0.00 -2.05 0.00 0.00 46.19 46.71 1v8y s LEU 20 CO 0.08 -0.83 -0.18 0.20 -0.55 0.00 0.00 176.35 175.07 1v8y s ASN 21 N -2.17 2.11 -0.22 1.48 0.01 -0.56 -0.34 114.94 115.25 1v8y s ASN 21 Ca -0.03 -0.39 -0.06 0.00 -0.71 0.00 0.00 52.86 51.66 1v8y s ASN 21 Cb -0.01 -0.20 -0.03 0.00 0.41 0.00 0.00 41.25 41.42 1v8y s ASN 21 CO -0.04 0.17 0.03 -0.22 -1.51 0.00 0.00 177.10 175.53 1v8y s LEU 22 N -0.72 3.37 0.26 0.60 2.96 1.00 -0.75 118.68 125.39 1v8y s LEU 22 Ca 0.06 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 1v8y s LEU 22 Cb -0.07 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 1v8y s LEU 22 CO 0.00 0.03 0.01 0.00 -1.32 0.00 0.00 176.35 175.08 1v8y s ALA 23 N 1.19 1.97 -0.12 5.97 0.00 0.10 -0.55 121.76 130.33 1v8y s ALA 23 Ca 0.04 -1.85 0.01 0.00 0.00 0.00 0.00 51.96 50.16 1v8y s ALA 23 Cb -0.14 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.54 1v8y s ALA 23 CO 0.02 -0.26 -0.14 -0.51 0.00 0.00 0.00 175.76 174.87 1v8y s LEU 24 N -3.36 1.62 -0.56 0.00 1.43 0.14 -0.57 118.68 117.38 1v8y s LEU 24 Ca 0.31 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1v8y s LEU 24 Cb 0.06 -1.06 0.14 0.00 0.03 0.00 0.00 46.19 45.36 1v8y s LEU 24 CO 0.11 -0.03 0.32 -0.70 0.23 0.00 0.00 176.35 176.28 1v8y s GLU 25 N 1.23 2.14 6.56 1.70 2.12 0.09 -0.78 118.70 131.76 1v8y s GLU 25 Ca -0.02 -2.69 0.00 0.00 0.36 0.00 0.00 54.97 52.62 1v8y s GLU 25 Cb -0.14 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.84 1v8y s GLU 25 CO -0.05 -1.14 0.00 0.41 -0.54 0.00 0.00 175.26 173.94 1v8y n GLY 26 N 3.05 1.96 0.03 -1.50 0.00 -1.26 -2.07 105.19 105.40 1v8y n GLY 26 Ca 0.07 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1v8y n GLY 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1v8y n ARG 27 N 3.57 0.38 -3.03 1.61 0.00 -1.26 -4.95 116.66 112.99 1v8y n ARG 27 Ca 0.00 -0.04 -0.40 0.00 -0.00 0.00 0.00 57.85 57.42 1v8y n ARG 27 Cb 0.00 -1.59 -0.05 0.00 0.00 0.00 0.00 32.46 30.82 1v8y n ARG 27 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1v8y s TYR 28 N -3.27 3.77 -0.23 -0.14 1.51 -0.88 -5.04 117.35 113.06 1v8y s TYR 28 Ca 0.01 1.46 -0.16 0.00 -1.01 0.00 0.00 57.07 57.37 1v8y s TYR 28 Cb 0.14 -2.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.19 1v8y s TYR 28 CO 0.84 0.35 0.42 -1.21 -1.11 0.00 0.00 175.55 174.84 1v8y s GLU 29 N -0.36 4.12 -0.07 -0.62 2.02 -1.26 -0.73 118.70 121.79 1v8y s GLU 29 Ca 0.36 0.20 0.03 0.00 0.02 0.00 0.00 54.97 55.59 1v8y s GLU 29 Cb -0.21 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.44 1v8y s GLU 29 CO 0.23 -0.16 -0.18 0.42 0.02 0.00 0.00 175.26 175.58 1v8y s ILE 30 N 1.71 1.58 -0.33 -1.63 1.01 0.26 -4.73 121.20 119.07 1v8y s ILE 30 Ca 0.19 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 1v8y s ILE 30 Cb -0.15 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 40.96 1v8y s ILE 30 CO 0.09 0.45 0.12 -0.69 0.00 0.00 0.00 174.94 174.91 1v8y s VAL 31 N 0.38 4.11 0.07 2.92 1.01 0.34 0.02 120.40 129.25 1v8y s VAL 31 Ca -0.14 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 60.72 1v8y s VAL 31 Cb -0.16 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1v8y s VAL 31 CO 0.05 -0.08 0.86 -1.61 0.00 0.00 0.00 175.10 174.33 1v8y s GLU 32 N 1.49 4.59 -0.01 2.72 2.02 0.07 -2.85 118.70 126.72 1v8y s GLU 32 Ca 0.01 1.25 -0.03 0.00 0.02 0.00 0.00 54.97 56.23 1v8y s GLU 32 Cb -0.18 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.67 1v8y s GLU 32 CO 0.04 0.23 0.06 -1.58 0.02 0.00 0.00 175.26 174.03 1v8y s HIS 33 N 0.03 0.01 0.64 1.61 2.46 -1.26 -1.50 115.29 117.27 1v8y s HIS 33 Ca 0.43 -0.00 -0.18 0.00 0.47 0.00 0.00 55.06 55.78 1v8y s HIS 33 Cb -0.22 -0.03 -0.01 0.00 -0.13 0.00 0.00 32.58 32.19 1v8y s HIS 33 CO 0.26 -0.10 1.24 0.15 -2.47 0.00 0.00 174.74 173.82 1v8y s LYS 34 N -0.47 2.64 0.76 2.88 1.02 -1.25 -4.29 119.74 121.03 1v8y s LYS 34 Ca -0.05 1.90 -0.11 0.00 0.02 0.00 0.00 55.97 57.73 1v8y s LYS 34 Cb -0.03 -1.88 0.05 0.00 -0.52 0.00 0.00 37.83 35.45 1v8y s LYS 34 CO 0.00 -1.48 1.08 -1.25 -0.92 0.00 0.00 175.35 172.78 1v8y s PRO 35 N -3.47 2.40 0.32 -1.68 0.04 -1.26 -4.55 135.00 126.79 1v8y s PRO 35 Ca 0.79 1.06 0.03 0.00 0.04 0.00 0.00 61.00 62.92 1v8y s PRO 35 Cb -0.33 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 1v8y s PRO 35 CO 0.38 -1.51 0.09 0.00 0.04 0.00 0.00 177.00 176.00 1v8y s ALA 36 N -2.96 2.22 0.12 8.56 0.00 0.56 -1.74 121.76 128.52 1v8y s ALA 36 Ca 0.60 -1.81 0.03 0.00 0.00 0.00 0.00 51.96 50.78 1v8y s ALA 36 Cb -0.16 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 1v8y s ALA 36 CO 0.56 -0.38 -0.09 0.14 0.00 0.00 0.00 175.76 175.98 1v8y s VAL 37 N -3.46 0.96 -0.06 0.00 -7.23 -0.21 -0.77 120.40 109.64 1v8y s VAL 37 Ca 0.34 -1.90 -0.09 0.00 -1.81 0.00 0.00 61.98 58.53 1v8y s VAL 37 Cb 0.07 -1.65 0.02 0.00 0.56 0.00 0.00 36.38 35.37 1v8y s VAL 37 CO 0.15 -0.73 0.22 0.00 -0.31 0.00 0.00 175.10 174.43 1v8y s ALA 38 N -3.15 -0.53 -0.15 1.32 0.00 -0.41 -1.91 121.76 116.93 1v8y s ALA 38 Ca 0.12 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1v8y s ALA 38 Cb 0.02 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1v8y s ALA 38 CO -0.01 -0.15 -0.18 0.08 0.00 0.00 0.00 175.76 175.50 1v8y s VAL 39 N -0.38 1.84 -0.23 0.00 1.01 0.43 -0.94 120.40 122.14 1v8y s VAL 39 Ca -0.05 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 1v8y s VAL 39 Cb -0.03 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1v8y s VAL 39 CO 0.01 0.51 0.41 -0.63 0.00 0.00 0.00 175.10 175.39 1v8y s ILE 40 N 1.16 5.17 -0.04 2.22 1.01 0.29 -4.00 121.20 127.02 1v8y s ILE 40 Ca -0.00 0.69 0.01 0.00 0.00 0.00 0.00 60.65 61.35 1v8y s ILE 40 Cb -0.14 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.62 1v8y s ILE 40 CO -0.08 0.20 -0.02 0.00 0.00 0.00 0.00 174.94 175.05 1v8y s ALA 41 N 1.64 0.47 -0.02 9.38 0.00 -1.26 -0.55 121.76 131.41 1v8y s ALA 41 Ca 0.18 0.07 0.08 0.00 0.00 0.00 0.00 51.96 52.29 1v8y s ALA 41 Cb -0.15 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1v8y s ALA 41 CO 0.09 -0.05 -0.26 -1.17 0.00 0.00 0.00 175.76 174.36 1v8y s LEU 42 N 0.99 2.05 -0.19 0.00 2.96 -1.26 -1.10 118.68 122.13 1v8y s LEU 42 Ca -0.10 -0.47 -0.07 0.00 -0.22 0.00 0.00 54.13 53.27 1v8y s LEU 42 Cb -0.14 -1.34 0.08 0.00 0.50 0.00 0.00 46.19 45.30 1v8y s LEU 42 CO -0.01 0.31 0.40 -0.60 -1.32 0.00 0.00 176.35 175.13 1v8y s ARG 43 N -0.55 0.31 -1.45 1.98 3.52 -0.04 -4.90 118.95 117.81 1v8y s ARG 43 Ca 0.08 0.98 -0.10 0.00 -0.13 0.00 0.00 55.73 56.57 1v8y s ARG 43 Cb -0.10 0.26 0.05 0.00 -1.56 0.00 0.00 34.95 33.60 1v8y s ARG 43 CO -0.00 -0.25 0.76 0.39 -0.81 0.00 0.00 175.30 175.39 1v8y n GLU 44 N 5.28 -5.00 -0.56 5.12 1.02 -1.26 -1.14 120.64 124.11 1v8y n GLU 44 Ca -0.10 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1v8y n GLU 44 Cb 0.50 -5.53 0.00 0.00 -0.02 0.00 0.00 31.44 26.39 1v8y n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v8y n GLY 45 N -1.53 1.59 3.76 0.62 0.00 -1.26 -5.02 105.19 103.35 1v8y n GLY 45 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1v8y n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1v8y s ARG 46 N -0.11 3.15 0.06 1.61 0.52 -0.29 -4.29 118.95 119.60 1v8y s ARG 46 Ca 0.00 -0.32 -0.05 0.00 -0.52 0.00 0.00 55.73 54.84 1v8y s ARG 46 Cb 0.00 -2.94 -0.05 0.00 0.52 0.00 0.00 34.95 32.48 1v8y s ARG 46 CO 0.00 0.72 0.30 1.41 0.02 0.00 0.00 175.30 177.75 1v8y s MET 47 N -1.02 3.58 -0.79 3.54 -2.45 0.85 -0.87 119.30 122.14 1v8y s MET 47 Ca 0.15 -0.11 -0.23 0.00 -1.25 0.00 0.00 55.69 54.25 1v8y s MET 47 Cb -0.12 -3.00 0.07 0.00 1.25 0.00 0.00 34.83 33.03 1v8y s MET 47 CO 0.04 0.59 1.15 -1.17 1.05 0.00 0.00 175.02 176.68 1v8y s LEU 48 N -2.13 4.08 0.26 4.11 2.96 -0.26 -1.42 118.68 126.28 1v8y s LEU 48 Ca 0.33 -1.15 0.06 0.00 -0.22 0.00 0.00 54.13 53.15 1v8y s LEU 48 Cb -0.13 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 1v8y s LEU 48 CO 0.20 -1.47 0.33 -0.36 -1.32 0.00 0.00 176.35 173.73 1v8y s PHE 49 N 4.34 3.31 0.04 5.38 0.40 -0.56 -4.23 117.98 126.66 1v8y s PHE 49 Ca 0.31 -0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.58 1v8y s PHE 49 Cb -0.10 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 1v8y s PHE 49 CO 0.04 0.40 -0.06 0.14 0.70 0.00 0.00 175.22 176.44 1v8y s VAL 50 N -2.05 0.42 0.03 -0.44 -7.23 0.22 0.25 120.40 111.60 1v8y s VAL 50 Ca 0.35 -1.15 0.02 0.00 -1.81 0.00 0.00 61.98 59.40 1v8y s VAL 50 Cb -0.09 -0.66 -0.02 0.00 0.56 0.00 0.00 36.38 36.18 1v8y s VAL 50 CO 0.28 -0.49 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.37 1v8y s ARG 51 N -1.88 0.54 0.05 4.82 0.52 -0.37 -1.58 118.95 121.06 1v8y s ARG 51 Ca -0.09 -0.60 -0.25 0.00 -0.52 0.00 0.00 55.73 54.26 1v8y s ARG 51 Cb -0.08 -0.40 0.06 0.00 0.52 0.00 0.00 34.95 35.06 1v8y s ARG 51 CO -0.01 0.09 0.60 1.14 0.02 0.00 0.00 175.30 177.14 1v8y s GLN 52 N -1.14 1.13 0.13 3.54 -2.07 -1.26 -0.54 119.66 119.45 1v8y s GLN 52 Ca -0.05 -0.15 -0.31 0.00 -1.82 0.00 0.00 55.36 53.02 1v8y s GLN 52 Cb -0.08 0.52 -0.10 0.00 -1.09 0.00 0.00 33.01 32.27 1v8y s GLN 52 CO 0.00 -0.42 1.66 -1.64 -1.32 0.00 0.00 175.29 173.57 1v8y s MET 53 N -2.48 4.18 -0.44 9.60 -1.94 -1.26 -4.39 119.30 122.57 1v8y s MET 53 Ca -0.05 2.42 0.03 0.00 -1.71 0.00 0.00 55.69 56.38 1v8y s MET 53 Cb -0.01 -3.38 0.12 0.00 2.01 0.00 0.00 34.83 33.57 1v8y s MET 53 CO -0.02 -0.71 0.18 1.03 -0.01 0.00 0.00 175.02 175.49 1v8y s ARG 54 N 1.96 1.82 0.53 2.03 1.81 -1.08 -4.98 118.95 121.04 1v8y s ARG 54 Ca 0.74 -2.24 0.28 0.00 -1.72 0.00 0.00 55.73 52.79 1v8y s ARG 54 Cb -0.43 -3.33 1.43 0.00 -0.45 0.00 0.00 34.95 32.16 1v8y s ARG 54 CO 0.33 -1.04 1.95 -1.00 -0.68 0.00 0.00 175.30 174.86 1v8y h PRO 55 N 7.14 0.01 -0.03 3.54 0.13 -1.93 0.13 132.00 140.98 1v8y h PRO 55 Ca -0.06 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1v8y h PRO 55 Cb 0.96 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 1v8y h PRO 55 CO 0.62 0.01 -0.05 0.00 -0.23 0.00 0.00 178.00 178.35 1v8y h ALA 56 N 1.66 1.86 0.00 -0.56 0.00 -1.94 -3.13 119.26 117.14 1v8y h ALA 56 Ca 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1v8y h ALA 56 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1v8y h ALA 56 CO -0.01 0.11 -0.31 1.33 0.00 0.00 0.00 179.25 180.38 1v8y n VAL 57 N -4.45 0.00 -1.24 0.00 0.24 -0.44 -5.02 118.33 107.42 1v8y n VAL 57 Ca -0.02 -0.35 -0.08 0.00 -2.04 0.00 0.00 64.34 61.85 1v8y n VAL 57 Cb 0.15 0.99 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 1v8y n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1v8y n GLY 58 N 1.16 0.94 3.78 7.63 0.00 -0.10 -4.98 105.19 113.62 1v8y n GLY 58 Ca 0.01 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 1v8y n GLY 58 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1v8y s LEU 59 N -1.73 0.07 -0.52 0.99 0.05 -1.24 -4.99 118.68 111.32 1v8y s LEU 59 Ca 0.00 -1.12 -0.02 0.00 0.05 0.00 0.00 54.13 53.04 1v8y s LEU 59 Cb 0.00 2.70 0.13 0.00 -2.05 0.00 0.00 46.19 46.98 1v8y s LEU 59 CO 0.00 -1.62 0.31 0.00 -0.55 0.00 0.00 176.35 174.49 1v8y s ALA 60 N -2.55 3.35 0.77 1.48 0.00 -1.26 -2.62 121.76 120.94 1v8y s ALA 60 Ca 0.16 -2.94 -0.11 0.00 0.00 0.00 0.00 51.96 49.07 1v8y s ALA 60 Cb -0.05 -2.49 0.05 0.00 0.00 0.00 0.00 23.12 20.64 1v8y s ALA 60 CO 0.12 -1.95 1.09 -1.25 0.00 0.00 0.00 175.76 173.76 1v8y s PRO 61 N 0.45 2.31 -0.28 0.00 0.04 -1.26 -4.77 135.00 131.49 1v8y s PRO 61 Ca 0.13 0.71 -0.26 0.00 0.04 0.00 0.00 61.00 61.61 1v8y s PRO 61 Cb -0.22 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1v8y s PRO 61 CO -0.04 -1.48 0.93 -1.17 0.04 0.00 0.00 177.00 175.28 1v8y s LEU 62 N -5.71 4.05 0.00 -3.56 2.96 0.85 -4.54 118.68 112.73 1v8y s LEU 62 Ca 0.60 0.99 0.02 0.00 -0.22 0.00 0.00 54.13 55.52 1v8y s LEU 62 Cb -0.14 -3.32 -0.01 0.00 0.50 0.00 0.00 46.19 43.22 1v8y s LEU 62 CO 0.54 -0.68 0.06 -0.62 -1.32 0.00 0.00 176.35 174.33 1v8y n GLU 63 N 6.37 0.83 -4.45 1.98 1.02 -0.61 -2.04 120.64 123.74 1v8y n GLU 63 Ca 0.08 -2.94 -0.23 0.00 -0.02 0.00 0.00 57.16 54.06 1v8y n GLU 63 Cb 0.47 1.15 -0.10 0.00 -0.02 0.00 0.00 31.44 32.94 1v8y n GLU 63 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1v8y s ILE 64 N -2.64 2.18 -0.24 -3.67 -4.36 -1.26 -0.61 121.20 110.61 1v8y s ILE 64 Ca 0.08 -2.30 -0.40 0.00 -0.26 0.00 0.00 60.65 57.77 1v8y s ILE 64 Cb 0.00 -2.32 -0.16 0.00 1.25 0.00 0.00 42.46 41.23 1v8y s ILE 64 CO 0.06 -0.40 1.68 -2.65 0.24 0.00 0.00 174.94 173.87 1v8y n PRO 65 N -0.59 1.10 -3.56 0.37 -0.02 -1.26 -4.75 135.00 126.30 1v8y n PRO 65 Ca -0.06 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 61.71 1v8y n PRO 65 Cb 0.61 -2.07 -0.04 0.00 -0.02 0.00 0.00 33.50 31.98 1v8y n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1v8y s ALA 66 N 3.09 -1.23 -0.02 3.55 0.00 -1.26 -0.43 121.76 125.46 1v8y s ALA 66 Ca 0.97 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 1v8y s ALA 66 Cb -1.07 0.65 0.10 0.00 0.00 0.00 0.00 23.12 22.80 1v8y s ALA 66 CO 0.64 -0.63 1.29 0.20 0.00 0.00 0.00 175.76 177.26 1v8y s GLY 67 N -2.52 -0.20 0.29 0.00 0.00 -0.80 -4.99 107.32 99.10 1v8y s GLY 67 Ca -0.00 0.20 -0.20 0.00 0.00 0.00 0.00 44.72 44.72 1v8y s GLY 67 CO -0.09 4.28 0.79 1.08 0.00 0.00 0.00 173.10 179.17 1v8y s LEU 68 N -3.61 4.22 -0.00 0.66 1.43 -1.26 -1.05 118.68 119.07 1v8y s LEU 68 Ca 0.26 1.48 -0.30 0.00 -1.03 0.00 0.00 54.13 54.54 1v8y s LEU 68 Cb 0.01 -3.90 -0.04 0.00 0.03 0.00 0.00 46.19 42.29 1v8y s LEU 68 CO -0.02 -0.09 1.07 -0.63 0.23 0.00 0.00 176.35 176.91 1v8y s ILE 69 N -1.74 4.55 0.54 -0.59 1.01 -0.71 -4.90 121.20 119.36 1v8y s ILE 69 Ca 0.49 1.83 -0.09 0.00 0.00 0.00 0.00 60.65 62.89 1v8y s ILE 69 Cb -0.14 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1v8y s ILE 69 CO 0.20 0.11 0.91 -1.61 0.00 0.00 0.00 174.94 174.55 1v8y s GLU 70 N 1.28 3.62 0.35 2.79 0.41 -1.26 -4.82 118.70 121.07 1v8y s GLU 70 Ca 0.54 0.53 -0.29 0.00 -0.41 0.00 0.00 54.97 55.34 1v8y s GLU 70 Cb -0.23 -2.22 -0.11 0.00 -1.78 0.00 0.00 34.13 29.78 1v8y s GLU 70 CO 0.26 -0.36 1.53 -0.35 -0.49 0.00 0.00 175.26 175.85 1v8y n PRO 71 N -2.34 2.70 0.00 0.39 -0.04 -1.26 -1.62 135.00 132.83 1v8y n PRO 71 Ca 0.04 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.45 1v8y n PRO 71 Cb 0.54 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 1v8y n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1v8y n GLY 72 N 1.02 1.75 3.89 0.55 0.00 -1.26 -5.04 105.19 106.10 1v8y n GLY 72 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1v8y n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v8y s GLU 73 N -0.45 3.58 0.36 1.61 2.02 -0.64 -5.11 118.70 120.07 1v8y s GLU 73 Ca 0.00 -0.12 0.07 0.00 0.02 0.00 0.00 54.97 54.94 1v8y s GLU 73 Cb 0.00 -3.00 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 1v8y s GLU 73 CO 0.00 0.59 0.39 0.16 0.02 0.00 0.00 175.26 176.42 1v8y s ASP 74 N -2.04 5.47 0.25 -0.19 1.47 -1.26 -4.80 116.67 115.57 1v8y s ASP 74 Ca 0.33 -0.45 -0.04 0.00 1.18 0.00 0.00 52.55 53.56 1v8y s ASP 74 Cb -0.13 -0.92 0.48 0.00 -0.34 0.00 0.00 42.92 42.01 1v8y s ASP 74 CO 0.20 -0.49 1.69 -0.65 0.68 0.00 0.00 175.17 176.60 1v8y h PRO 75 N 1.03 0.27 -0.71 2.11 0.11 -1.99 -2.01 132.00 130.81 1v8y h PRO 75 Ca -0.44 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.67 1v8y h PRO 75 Cb 1.26 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1v8y h PRO 75 CO 0.55 0.18 0.46 1.25 -0.21 0.00 0.00 178.00 180.23 1v8y h LEU 76 N 0.28 0.79 -0.53 2.35 5.85 -1.98 -0.20 115.31 121.88 1v8y h LEU 76 Ca 0.42 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 59.00 1v8y h LEU 76 Cb 0.73 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1v8y h LEU 76 CO -0.51 0.56 -0.24 -0.33 -0.34 0.00 0.00 178.44 177.59 1v8y h GLU 77 N 0.93 0.94 -0.61 1.25 5.08 -1.83 -1.76 114.58 118.59 1v8y h GLU 77 Ca 0.27 -0.41 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 1v8y h GLU 77 Cb -0.07 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1v8y h GLU 77 CO -0.07 1.07 0.06 0.00 -1.00 0.00 0.00 179.01 179.07 1v8y h ALA 78 N 0.91 0.96 -0.56 3.43 0.00 -1.07 -1.04 119.26 121.89 1v8y h ALA 78 Ca 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1v8y h ALA 78 Cb 0.80 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1v8y h ALA 78 CO 0.07 0.64 0.27 0.00 0.00 0.00 0.00 179.25 180.24 1v8y h ALA 79 N 1.11 0.73 -0.28 0.00 0.00 -0.80 0.65 119.26 120.67 1v8y h ALA 79 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1v8y h ALA 79 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1v8y h ALA 79 CO 0.02 0.28 0.18 -0.09 0.00 0.00 0.00 179.25 179.64 1v8y h ARG 80 N 0.76 0.37 -0.02 0.00 2.43 -0.95 -1.92 114.38 115.05 1v8y h ARG 80 Ca 0.19 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1v8y h ARG 80 Cb 0.11 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1v8y h ARG 80 CO -0.03 0.27 0.01 -0.09 -1.51 0.00 0.00 179.97 178.62 1v8y h ARG 81 N 0.37 0.04 -1.00 0.20 2.43 -0.84 -2.03 114.38 113.54 1v8y h ARG 81 Ca 0.10 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1v8y h ARG 81 Cb -0.02 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 1v8y h ARG 81 CO -0.02 0.17 0.67 0.93 -1.51 0.00 0.00 179.97 180.21 1v8y h GLU 82 N -0.11 1.31 -0.46 0.20 4.39 -0.82 0.73 114.58 119.83 1v8y h GLU 82 Ca 0.01 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1v8y h GLU 82 Cb 0.15 -0.30 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1v8y h GLU 82 CO -0.00 0.87 0.21 1.25 -1.16 0.00 0.00 179.01 180.17 1v8y h LEU 83 N 1.35 0.61 -0.22 1.33 5.85 -1.24 -1.40 115.31 121.59 1v8y h LEU 83 Ca 0.37 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 1v8y h LEU 83 Cb -0.14 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 1v8y h LEU 83 CO -0.09 0.59 -0.07 0.00 -0.34 0.00 0.00 178.44 178.53 1v8y h ALA 84 N 1.05 0.31 -0.27 1.25 0.00 -0.81 -1.16 119.26 119.63 1v8y h ALA 84 Ca 0.16 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1v8y h ALA 84 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1v8y h ALA 84 CO -0.02 0.12 -0.28 0.93 0.00 0.00 0.00 179.25 179.99 1v8y h GLU 85 N 0.17 0.54 0.00 0.00 5.08 -0.83 0.37 114.58 119.91 1v8y h GLU 85 Ca 0.06 -0.22 -0.26 0.00 -1.00 0.00 0.00 59.36 57.93 1v8y h GLU 85 Cb 0.54 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1v8y h GLU 85 CO 0.03 0.78 -1.50 1.96 -1.00 0.00 0.00 179.01 179.27 1v8y h GLN 86 N 0.47 0.00 0.00 2.33 4.20 -1.29 -3.41 115.11 117.41 1v8y h GLN 86 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1v8y h GLN 86 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1v8y h GLN 86 CO 0.06 0.57 0.00 0.25 -0.67 0.00 0.00 178.83 179.03 1v8y n THR 87 N -3.09 0.00 -1.22 -0.54 -2.24 -0.45 -4.84 114.28 101.91 1v8y n THR 87 Ca -0.12 -0.31 -0.07 0.00 -2.27 0.00 0.00 64.05 61.27 1v8y n THR 87 Cb 1.00 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 70.26 1v8y n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v8y n GLY 88 N 0.52 0.95 3.67 3.38 0.00 0.13 -4.96 105.19 108.88 1v8y n GLY 88 Ca 0.00 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 1v8y n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8y s LEU 89 N -1.70 3.29 0.09 0.99 1.43 -1.23 -0.97 118.68 120.58 1v8y s LEU 89 Ca 0.00 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1v8y s LEU 89 Cb 0.00 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1v8y s LEU 89 CO 0.00 0.04 -0.10 -0.55 0.23 0.00 0.00 176.35 175.97 1v8y s SER 90 N -3.37 1.38 0.20 2.29 0.15 0.28 -2.91 113.70 111.72 1v8y s SER 90 Ca 0.30 -0.81 -0.22 0.00 0.70 0.00 0.00 55.95 55.92 1v8y s SER 90 Cb -0.08 0.02 0.08 0.00 -1.71 0.00 0.00 66.02 64.33 1v8y s SER 90 CO 0.20 -0.28 1.03 -0.83 1.20 0.00 0.00 173.24 174.56 1v8y s GLY 91 N -2.45 0.15 -0.31 9.45 0.00 -1.26 -0.36 107.32 112.55 1v8y s GLY 91 Ca 0.05 -0.40 -0.22 0.00 0.00 0.00 0.00 44.72 44.15 1v8y s GLY 91 CO -0.00 2.60 0.73 0.99 0.00 0.00 0.00 173.10 177.42 1v8y s ASP 92 N -3.44 6.59 -0.12 1.64 1.01 0.59 -4.84 116.67 118.10 1v8y s ASP 92 Ca 0.23 0.55 -0.08 0.00 0.71 0.00 0.00 52.55 53.95 1v8y s ASP 92 Cb -0.03 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 1v8y s ASP 92 CO 0.06 -0.58 0.17 -0.76 0.21 0.00 0.00 175.17 174.27 1v8y s LEU 93 N 2.85 4.38 -0.08 1.23 1.43 -1.26 -1.07 118.68 126.16 1v8y s LEU 93 Ca 0.30 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 1v8y s LEU 93 Cb -0.14 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 43.97 1v8y s LEU 93 CO 0.13 0.37 -0.09 -0.89 0.23 0.00 0.00 176.35 176.09 1v8y s THR 94 N -0.86 1.02 0.20 5.49 2.01 0.05 -4.95 115.64 118.61 1v8y s THR 94 Ca 0.15 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 1v8y s THR 94 Cb -0.12 -0.99 -0.09 0.00 0.01 0.00 0.00 72.50 71.31 1v8y s THR 94 CO 0.04 0.35 1.41 -0.47 -0.69 0.00 0.00 174.62 175.26 1v8y s TYR 95 N 1.15 3.14 -0.10 4.92 5.04 -1.26 -0.46 117.35 129.78 1v8y s TYR 95 Ca -0.06 1.02 -0.12 0.00 -2.44 0.00 0.00 57.07 55.48 1v8y s TYR 95 Cb -0.14 -3.74 -0.05 0.00 0.35 0.00 0.00 41.96 38.38 1v8y s TYR 95 CO -0.02 -2.46 -0.24 1.28 -1.34 0.00 0.00 175.55 172.77 1v8y n LEU 96 N 2.95 1.63 -3.86 6.97 4.77 0.08 -4.90 117.00 124.65 1v8y n LEU 96 Ca 0.08 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1v8y n LEU 96 Cb 0.41 -0.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.91 1v8y n LEU 96 CO 0.59 -0.32 0.97 0.72 -1.33 0.00 0.00 177.39 178.02 1v8y s PHE 97 N -2.58 0.01 0.15 -1.77 -0.71 -1.18 -5.03 117.98 106.87 1v8y s PHE 97 Ca -0.21 -0.23 0.01 0.00 -1.04 0.00 0.00 56.93 55.46 1v8y s PHE 97 Cb 0.04 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.41 1v8y s PHE 97 CO 0.30 -0.52 0.01 -1.54 -1.34 0.00 0.00 175.22 172.13 1v8y s SER 98 N -3.44 0.94 -0.02 1.98 1.04 -1.26 -0.31 113.70 112.62 1v8y s SER 98 Ca 0.23 -1.16 -0.26 0.00 0.48 0.00 0.00 55.95 55.24 1v8y s SER 98 Cb -0.00 0.16 0.06 0.00 0.10 0.00 0.00 66.02 66.34 1v8y s SER 98 CO 0.01 -0.60 0.58 -0.72 0.98 0.00 0.00 173.24 173.48 1v8y s TYR 99 N -3.77 -0.52 -0.22 5.02 1.13 -0.39 -4.97 117.35 113.63 1v8y s TYR 99 Ca 0.22 0.81 -0.20 0.00 -1.41 0.00 0.00 57.07 56.49 1v8y s TYR 99 Cb 0.06 0.34 -0.02 0.00 -1.10 0.00 0.00 41.96 41.24 1v8y s TYR 99 CO 0.02 -0.59 0.60 -0.06 -2.51 0.00 0.00 175.55 173.02 1v8y s PHE 100 N -1.56 3.34 0.36 -3.49 0.40 -1.26 -0.45 117.98 115.32 1v8y s PHE 100 Ca -0.10 0.85 0.07 0.00 -0.60 0.00 0.00 56.93 57.15 1v8y s PHE 100 Cb -0.01 -2.78 0.76 0.00 0.51 0.00 0.00 43.02 41.49 1v8y s PHE 100 CO 0.06 -0.21 1.92 -0.39 0.70 0.00 0.00 175.22 177.29 1v8y h VAL 101 N 5.25 0.95 -0.59 -0.44 -1.51 -1.73 -3.38 116.25 114.81 1v8y h VAL 101 Ca -0.30 -0.26 -0.08 0.00 -1.23 0.00 0.00 66.70 64.83 1v8y h VAL 101 Cb 1.14 0.13 -0.15 0.00 -2.13 0.00 0.00 31.29 30.28 1v8y h VAL 101 CO 0.76 0.14 -0.32 -0.24 -1.23 0.00 0.00 177.57 176.68 1v8y n SER 102 N -4.51 -2.53 0.06 4.19 2.88 -1.26 -5.03 113.62 107.41 1v8y n SER 102 Ca 0.14 -2.07 0.04 0.00 -1.33 0.00 0.00 58.87 55.64 1v8y n SER 102 Cb 0.32 1.30 0.20 0.00 -0.75 0.00 0.00 64.21 65.28 1v8y n SER 102 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1v8y n PRO 103 N 2.70 0.05 0.15 -1.46 -0.04 -1.25 -1.60 135.00 133.55 1v8y n PRO 103 Ca 0.14 0.54 0.13 0.00 -0.04 0.00 0.00 63.50 64.27 1v8y n PRO 103 Cb 0.60 -1.67 0.49 0.00 -0.04 0.00 0.00 33.50 32.88 1v8y n PRO 103 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1v8y h GLY 104 N 0.00 0.00 0.00 0.55 0.00 -1.96 -3.39 103.07 98.26 1v8y h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1v8y h GLY 104 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.51 1v8y n PHE 105 N -2.41 0.00 -4.25 5.60 1.16 -0.90 -4.95 117.46 111.70 1v8y n PHE 105 Ca 0.03 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.43 1v8y n PHE 105 Cb 0.30 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.06 1v8y n PHE 105 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1v8y s THR 106 N -0.17 1.33 -1.83 1.97 -1.32 -0.62 -0.50 115.64 114.50 1v8y s THR 106 Ca 0.00 -1.82 0.22 0.00 -1.21 0.00 0.00 61.69 58.88 1v8y s THR 106 Cb 0.00 -1.63 0.68 0.00 -1.51 0.00 0.00 72.50 70.04 1v8y s THR 106 CO 0.00 -0.49 1.57 -0.90 -2.21 0.00 0.00 174.62 172.59 1v8y n ASP 107 N 0.33 4.17 -4.68 8.08 3.85 -1.13 -3.93 116.55 123.23 1v8y n ASP 107 Ca -0.14 -2.09 -0.44 0.00 -0.71 0.00 0.00 54.79 51.41 1v8y n ASP 107 Cb 0.58 -0.52 -0.03 0.00 -1.35 0.00 0.00 41.12 39.80 1v8y n ASP 107 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1v8y n GLU 108 N 1.58 2.62 -5.17 0.11 2.13 -1.26 -4.82 120.64 115.83 1v8y n GLU 108 Ca 0.25 0.96 -0.32 0.00 0.66 0.00 0.00 57.16 58.71 1v8y n GLU 108 Cb 0.69 -2.84 -0.16 0.00 0.27 0.00 0.00 31.44 29.40 1v8y n GLU 108 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1v8y s LYS 109 N 3.02 2.73 -0.15 5.31 2.20 -1.26 -1.96 119.74 129.64 1v8y s LYS 109 Ca 0.85 -0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 55.59 1v8y s LYS 109 Cb -0.53 -2.26 -0.02 0.00 -1.51 0.00 0.00 37.83 33.51 1v8y s LYS 109 CO 0.41 0.35 -0.11 0.99 -0.36 0.00 0.00 175.35 176.63 1v8y s THR 110 N -0.07 3.20 -0.25 3.43 2.01 0.41 -0.33 115.64 124.04 1v8y s THR 110 Ca -0.06 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.25 1v8y s THR 110 Cb -0.14 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1v8y s THR 110 CO 0.05 0.51 0.13 -1.00 -0.69 0.00 0.00 174.62 173.61 1v8y s HIS 111 N 0.51 3.18 -0.17 4.92 0.09 0.05 -1.27 115.29 122.61 1v8y s HIS 111 Ca -0.07 -0.08 -0.07 0.00 -0.00 0.00 0.00 55.06 54.83 1v8y s HIS 111 Cb -0.15 -2.28 -0.04 0.00 -0.00 0.00 0.00 32.58 30.10 1v8y s HIS 111 CO 0.04 -0.18 0.09 0.08 -0.00 0.00 0.00 174.74 174.77 1v8y s VAL 112 N 1.47 5.04 0.25 -0.90 1.01 0.57 -1.29 120.40 126.55 1v8y s VAL 112 Ca 0.06 0.05 0.11 0.00 0.00 0.00 0.00 61.98 62.20 1v8y s VAL 112 Cb -0.15 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 1v8y s VAL 112 CO 0.06 0.50 -0.19 -0.36 0.00 0.00 0.00 175.10 175.12 1v8y s PHE 113 N -0.02 2.11 -0.09 5.22 0.40 -0.11 -0.74 117.98 124.75 1v8y s PHE 113 Ca 0.07 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1v8y s PHE 113 Cb -0.12 -0.95 -0.03 0.00 0.51 0.00 0.00 43.02 42.44 1v8y s PHE 113 CO 0.00 0.59 -0.06 -1.17 0.70 0.00 0.00 175.22 175.28 1v8y s LEU 114 N -3.35 3.20 -0.11 -0.37 2.96 0.39 -0.55 118.68 120.85 1v8y s LEU 114 Ca 0.27 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1v8y s LEU 114 Cb -0.04 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 1v8y s LEU 114 CO 0.12 0.32 -0.18 0.00 -1.32 0.00 0.00 176.35 175.28 1v8y s ALA 115 N -0.53 2.40 0.26 5.97 0.00 0.29 -0.77 121.76 129.38 1v8y s ALA 115 Ca 0.08 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.16 1v8y s ALA 115 Cb -0.12 -1.01 -0.06 0.00 0.00 0.00 0.00 23.12 21.94 1v8y s ALA 115 CO 0.02 0.27 -0.04 -1.21 0.00 0.00 0.00 175.76 174.81 1v8y s GLU 116 N 0.33 1.46 -1.32 0.00 2.02 -0.23 -4.27 118.70 116.69 1v8y s GLU 116 Ca -0.15 -1.74 -0.00 0.00 0.02 0.00 0.00 54.97 53.10 1v8y s GLU 116 Cb -0.17 -0.94 -0.00 0.00 0.10 0.00 0.00 34.13 33.13 1v8y s GLU 116 CO 0.07 -0.02 0.66 0.09 0.02 0.00 0.00 175.26 176.09 1v8y n ASN 117 N -0.51 -1.11 -4.78 -0.19 5.03 -1.26 -0.30 115.26 112.14 1v8y n ASN 117 Ca -0.05 -0.85 -0.41 0.00 0.87 0.00 0.00 54.58 54.14 1v8y n ASN 117 Cb 0.64 -3.91 0.01 0.00 -1.02 0.00 0.00 39.78 35.49 1v8y n ASN 117 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1v8y s LEU 118 N -6.70 4.24 0.01 3.41 1.02 -1.26 -4.47 118.68 114.94 1v8y s LEU 118 Ca 0.01 3.02 0.01 0.00 0.02 0.00 0.00 54.13 57.19 1v8y s LEU 118 Cb -0.00 -3.76 -0.01 0.00 0.02 0.00 0.00 46.19 42.44 1v8y s LEU 118 CO 0.82 -0.99 -0.03 -0.54 0.02 0.00 0.00 176.35 175.63 1v8y s LYS 119 N -2.23 0.23 -0.30 1.70 1.02 0.52 -4.96 119.74 115.72 1v8y s LYS 119 Ca 0.56 -0.26 -0.25 0.00 0.02 0.00 0.00 55.97 56.04 1v8y s LYS 119 Cb -0.46 -0.11 0.01 0.00 -0.52 0.00 0.00 37.83 36.74 1v8y s LYS 119 CO 0.61 0.02 0.88 -2.00 -0.92 0.00 0.00 175.35 173.95 1v8y s GLU 120 N -0.50 4.02 -0.02 1.68 2.12 -1.26 -0.56 118.70 124.17 1v8y s GLU 120 Ca -0.04 0.78 0.14 0.00 0.36 0.00 0.00 54.97 56.21 1v8y s GLU 120 Cb -0.04 -3.72 -0.21 0.00 0.26 0.00 0.00 34.13 30.42 1v8y s GLU 120 CO -0.00 -0.73 0.35 1.33 -0.54 0.00 0.00 175.26 175.67 1v8y n VAL 121 N 5.60 0.00 0.00 3.70 0.24 -0.14 -4.96 118.33 122.77 1v8y n VAL 121 Ca 0.06 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1v8y n VAL 121 Cb 0.48 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 1v8y n VAL 121 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1v8y n GLU 122 N -1.89 0.00 -1.81 7.34 1.02 -0.95 -5.05 120.64 119.31 1v8y n GLU 122 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1v8y n GLU 122 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.76 1v8y n GLU 122 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1v8y n ILE 131 N 0.00-11.05 -3.23 -3.67 5.41 -1.26 -4.69 119.36 100.87 1v8y n ILE 131 Ca 0.00 2.86 -0.39 0.00 1.00 0.00 0.00 62.75 66.22 1v8y n ILE 131 Cb 0.00 -4.79 -0.06 0.00 -0.71 0.00 0.00 39.64 34.08 1v8y n ILE 131 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1v8y s GLU 132 N -1.18 4.30 -0.14 0.38 2.12 0.30 -4.93 118.70 119.54 1v8y s GLU 132 Ca 0.00 0.53 -0.24 0.00 0.36 0.00 0.00 54.97 55.62 1v8y s GLU 132 Cb 0.00 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1v8y s GLU 132 CO 0.00 0.01 0.77 0.08 -0.54 0.00 0.00 175.26 175.58 1v8y s VAL 133 N 1.10 4.94 -0.49 3.70 1.01 -1.26 -1.23 120.40 128.16 1v8y s VAL 133 Ca 0.28 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.81 1v8y s VAL 133 Cb -0.16 -4.09 0.14 0.00 0.00 0.00 0.00 36.38 32.27 1v8y s VAL 133 CO 0.11 0.10 0.27 -0.69 0.00 0.00 0.00 175.10 174.89 1v8y s VAL 134 N 1.75 1.96 -0.11 2.92 1.01 0.14 -4.98 120.40 123.10 1v8y s VAL 134 Ca 0.37 -2.99 -0.30 0.00 0.00 0.00 0.00 61.98 59.06 1v8y s VAL 134 Cb -0.17 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1v8y s VAL 134 CO 0.14 -0.87 1.22 0.26 0.00 0.00 0.00 175.10 175.85 1v8y s TRP 135 N -0.05 3.05 -0.13 5.22 0.52 -1.26 -1.49 118.94 124.79 1v8y s TRP 135 Ca 0.18 1.13 -0.16 0.00 0.02 0.00 0.00 56.10 57.28 1v8y s TRP 135 Cb -0.23 -3.45 0.04 0.00 -1.15 0.00 0.00 33.47 28.68 1v8y s TRP 135 CO -0.02 -1.46 0.43 1.41 0.02 0.00 0.00 176.95 177.33 1v8y s MET 136 N 2.78 0.56 0.25 4.98 1.75 -0.51 -4.91 119.30 124.19 1v8y s MET 136 Ca 0.55 0.46 -0.30 0.00 -1.25 0.00 0.00 55.69 55.15 1v8y s MET 136 Cb -0.23 0.27 -0.11 0.00 2.84 0.00 0.00 34.83 37.60 1v8y s MET 136 CO 0.18 -0.09 1.54 1.03 -0.65 0.00 0.00 175.02 177.03 1v8y s ARG 137 N -0.08 4.19 0.45 4.11 0.52 -1.26 -0.11 118.95 126.78 1v8y s ARG 137 Ca -0.03 2.44 0.14 0.00 -0.52 0.00 0.00 55.73 57.76 1v8y s ARG 137 Cb -0.03 -3.08 1.07 0.00 0.52 0.00 0.00 34.95 33.43 1v8y s ARG 137 CO 0.02 -0.56 2.02 -1.35 0.02 0.00 0.00 175.30 175.45 1v8y h PRO 138 N 5.42 0.33 -0.54 3.54 0.11 -1.93 -0.15 132.00 138.77 1v8y h PRO 138 Ca -0.46 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1v8y h PRO 138 Cb 1.21 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1v8y h PRO 138 CO 0.82 0.22 0.20 0.93 -0.21 0.00 0.00 178.00 179.95 1v8y h GLU 139 N 0.34 0.80 -0.12 1.05 3.07 -1.92 -0.88 114.58 116.92 1v8y h GLU 139 Ca 0.21 -0.13 -0.22 0.00 -0.50 0.00 0.00 59.36 58.73 1v8y h GLU 139 Cb 0.41 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1v8y h GLU 139 CO -0.05 0.67 -0.79 0.93 -1.40 0.00 0.00 179.01 178.37 1v8y h GLU 140 N 0.78 0.67 -0.42 2.33 4.39 -1.43 -1.70 114.58 119.21 1v8y h GLU 140 Ca 0.18 -0.56 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 1v8y h GLU 140 Cb 0.19 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1v8y h GLU 140 CO -0.01 1.18 0.24 0.00 -1.16 0.00 0.00 179.01 179.25 1v8y h ALA 141 N 0.66 0.54 -0.51 3.43 0.00 -0.92 0.67 119.26 123.12 1v8y h ALA 141 Ca -0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1v8y h ALA 141 Cb 1.40 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1v8y h ALA 141 CO 0.15 0.05 0.15 1.25 0.00 0.00 0.00 179.25 180.86 1v8y h LEU 142 N 0.55 0.75 -0.13 0.00 5.85 -1.15 -1.52 115.31 119.67 1v8y h LEU 142 Ca 0.15 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1v8y h LEU 142 Cb 0.04 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1v8y h LEU 142 CO -0.03 0.77 0.08 -0.08 -0.34 0.00 0.00 178.44 178.84 1v8y h GLU 143 N 0.70 0.17 -0.95 1.25 4.81 -0.98 -0.58 114.58 119.00 1v8y h GLU 143 Ca 0.16 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1v8y h GLU 143 Cb 0.29 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1v8y h GLU 143 CO -0.00 0.14 0.62 0.00 -0.73 0.00 0.00 179.01 179.04 1v8y h ARG 144 N 0.14 1.20 -0.46 1.92 3.08 -0.73 -1.19 114.38 118.34 1v8y h ARG 144 Ca 0.05 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1v8y h ARG 144 Cb 0.02 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 1v8y h ARG 144 CO -0.01 0.80 0.05 1.25 -1.07 0.00 0.00 179.97 180.99 1v8y h HIS 145 N 1.24 0.84 0.00 3.04 2.76 -0.93 0.62 115.15 122.72 1v8y h HIS 145 Ca 0.36 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 1v8y h HIS 145 Cb -0.07 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 28.66 1v8y h HIS 145 CO -0.01 0.80 -0.11 1.96 -1.30 0.00 0.00 177.93 179.27 1v8y h GLN 146 N 0.65 0.00 -0.00 5.26 4.20 -0.60 0.74 115.11 125.36 1v8y h GLN 146 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1v8y h GLN 146 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1v8y h GLN 146 CO 0.01 0.11 -0.08 0.54 -0.67 0.00 0.00 178.83 178.75 1v8y n ARG 147 N -4.31 0.80 -1.10 1.46 1.74 -0.50 -4.91 116.66 109.85 1v8y n ARG 147 Ca -0.03 -0.25 -0.03 0.00 -0.77 0.00 0.00 57.85 56.77 1v8y n ARG 147 Cb 0.19 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.12 1v8y n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1v8y n GLY 148 N 1.23 0.64 0.15 -0.13 0.00 0.25 -4.92 105.19 102.42 1v8y n GLY 148 Ca 0.16 -0.66 0.07 0.00 0.00 0.00 0.00 46.02 45.59 1v8y n GLY 148 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1v8y h GLU 149 N 0.19 0.00 -3.25 1.61 4.22 -1.09 -3.47 114.58 112.79 1v8y h GLU 149 Ca -0.07 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.26 1v8y h GLU 149 Cb 0.27 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.33 1v8y h GLU 149 CO 0.10 0.21 -0.32 0.54 -2.18 0.00 0.00 179.01 177.35 1v8y s VAL 150 N -3.12 0.08 0.25 0.32 0.11 -1.22 -4.98 120.40 111.83 1v8y s VAL 150 Ca 0.03 -0.62 0.06 0.00 -2.93 0.00 0.00 61.98 58.52 1v8y s VAL 150 Cb 0.07 -0.70 -0.03 0.00 -1.53 0.00 0.00 36.38 34.19 1v8y s VAL 150 CO 0.74 -0.34 0.28 -1.61 -3.33 0.00 0.00 175.10 170.84 1v8y s GLU 151 N -1.79 3.19 0.10 1.54 0.41 -1.26 -4.26 118.70 116.63 1v8y s GLU 151 Ca -0.11 -0.90 0.08 0.00 -0.41 0.00 0.00 54.97 53.63 1v8y s GLU 151 Cb -0.04 -2.73 -0.04 0.00 -1.78 0.00 0.00 34.13 29.54 1v8y s GLU 151 CO 0.01 0.41 -0.15 -0.06 -0.49 0.00 0.00 175.26 174.98 1v8y s PHE 152 N -2.06 2.62 0.39 1.61 2.99 -1.26 -0.11 117.98 122.17 1v8y s PHE 152 Ca 0.34 -0.22 0.06 0.00 0.00 0.00 0.00 56.93 57.10 1v8y s PHE 152 Cb -0.08 -1.39 0.00 0.00 0.00 0.00 0.00 43.02 41.54 1v8y s PHE 152 CO 0.27 0.39 0.55 -1.54 -0.00 0.00 0.00 175.22 174.89 1v8y s SER 153 N -2.09 5.81 0.24 1.36 1.04 -0.87 -4.81 113.70 114.39 1v8y s SER 153 Ca 0.19 -0.17 -0.05 0.00 0.48 0.00 0.00 55.95 56.40 1v8y s SER 153 Cb -0.11 -1.09 0.34 0.00 0.10 0.00 0.00 66.02 65.26 1v8y s SER 153 CO 0.11 -0.62 1.86 0.00 0.98 0.00 0.00 173.24 175.57 1v8y h ALA 154 N 0.68 1.21 -0.67 5.32 0.00 -2.00 -1.59 119.26 122.22 1v8y h ALA 154 Ca -0.44 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1v8y h ALA 154 Cb 1.27 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1v8y h ALA 154 CO 0.51 0.31 0.18 1.79 0.00 0.00 0.00 179.25 182.05 1v8y h THR 155 N 1.01 1.25 -0.38 0.00 1.35 -1.94 -0.66 112.91 113.55 1v8y h THR 155 Ca 0.38 -0.89 -0.05 0.00 -0.55 0.00 0.00 66.41 65.31 1v8y h THR 155 Cb 0.16 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 67.10 1v8y h THR 155 CO -0.17 0.34 0.06 1.23 -0.25 0.00 0.00 175.52 176.73 1v8y h GLY 156 N 1.06 0.67 0.99 5.82 0.00 -1.51 -1.37 103.07 108.74 1v8y h GLY 156 Ca 0.21 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 1v8y h GLY 156 CO -0.00 0.42 0.05 -2.00 0.00 0.00 0.00 176.54 175.00 1v8y h LEU 157 N 0.47 0.82 -0.73 3.11 5.85 -1.14 -1.55 115.31 122.13 1v8y h LEU 157 Ca 0.11 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1v8y h LEU 157 Cb 0.37 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1v8y h LEU 157 CO 0.01 0.89 0.48 0.58 -0.34 0.00 0.00 178.44 180.06 1v8y h VAL 158 N 0.72 1.18 -0.27 1.05 2.07 -1.02 0.52 116.25 120.49 1v8y h VAL 158 Ca 0.15 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1v8y h VAL 158 Cb 0.44 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1v8y h VAL 158 CO 0.02 0.18 0.16 1.23 0.02 0.00 0.00 177.57 179.18 1v8y h GLY 159 N 0.98 0.40 1.00 2.17 0.00 -1.00 0.13 103.07 106.75 1v8y h GLY 159 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1v8y h GLY 159 CO -0.06 0.16 0.20 -2.08 0.00 0.00 0.00 176.54 174.76 1v8y h VAL 160 N 0.35 1.08 -0.40 4.60 2.07 -0.76 -1.17 116.25 122.02 1v8y h VAL 160 Ca 0.10 -0.15 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 1v8y h VAL 160 Cb 0.02 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1v8y h VAL 160 CO -0.02 0.08 -0.30 -0.07 0.02 0.00 0.00 177.57 177.28 1v8y h LEU 161 N 0.41 0.91 -0.72 2.57 3.38 -0.75 -2.40 115.31 118.71 1v8y h LEU 161 Ca 0.11 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1v8y h LEU 161 Cb -0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1v8y h LEU 161 CO -0.02 1.13 0.43 0.22 0.09 0.00 0.00 178.44 180.29 1v8y h TYR 162 N 0.73 0.94 0.21 1.13 3.20 -0.54 -1.00 116.97 121.66 1v8y h TYR 162 Ca 0.08 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1v8y h TYR 162 Cb 0.86 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1v8y h TYR 162 CO 0.05 0.63 -0.15 -0.92 -1.64 0.00 0.00 178.16 176.14 1v8y h TYR 163 N 0.98 -0.38 -0.09 -3.82 3.20 -1.06 0.13 116.97 115.94 1v8y h TYR 163 Ca 0.26 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 1v8y h TYR 163 Cb -0.04 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1v8y h TYR 163 CO -0.01 -0.23 0.01 0.45 -1.64 0.00 0.00 178.16 176.74 1v8y h HIS 164 N -0.36 0.11 0.19 -3.82 3.86 -1.16 -0.04 115.15 113.93 1v8y h HIS 164 Ca -0.02 -0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.92 1v8y h HIS 164 Cb 0.31 -0.04 0.02 0.00 1.06 0.00 0.00 27.41 28.77 1v8y h HIS 164 CO -0.10 0.11 -1.23 0.00 0.86 0.00 0.00 177.93 177.57 1v8y h ALA 165 N 1.90 -0.07 0.00 2.45 0.00 -0.88 -3.44 119.26 119.22 1v8y h ALA 165 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1v8y h ALA 165 Cb 0.07 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1v8y h ALA 165 CO -0.00 0.61 0.00 1.19 0.00 0.00 0.00 179.25 181.05 1v8y n PHE 166 N -3.90 0.00 -0.42 0.00 3.01 0.01 -4.85 117.46 111.31 1v8y n PHE 166 Ca -0.17 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.36 1v8y n PHE 166 Cb 0.97 0.00 0.22 0.00 -0.01 0.00 0.00 39.48 40.65 1v8y n PHE 166 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1v8y n LEU 167 N -0.53 3.46 -0.93 4.37 4.77 -0.04 -5.04 117.00 123.07 1v8y n LEU 167 Ca 0.00 -2.26 0.12 0.00 -0.03 0.00 0.00 56.01 53.83 1v8y n LEU 167 Cb 0.02 -0.36 0.10 0.00 -2.33 0.00 0.00 43.42 40.84 1v8y n LEU 167 CO 0.00 0.76 0.62 0.54 -1.33 0.00 0.00 177.39 177.97