#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v8s s THR 12 N 0.00 3.20 -0.11 5.15 -4.23 0.66 -4.93 115.64 115.39 1v8s s THR 12 Ca 0.00 -1.59 -0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1v8s s THR 12 Cb 0.00 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 71.25 1v8s s THR 12 CO 0.00 -0.06 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.61 1v8s s TYR 13 N -1.60 2.87 -0.43 3.99 1.51 -1.26 0.83 117.35 123.27 1v8s s TYR 13 Ca 0.24 -0.32 0.17 0.00 -1.01 0.00 0.00 57.07 56.15 1v8s s TYR 13 Cb -0.09 -1.80 -0.23 0.00 -0.11 0.00 0.00 41.96 39.73 1v8s s TYR 13 CO 0.15 0.03 0.56 1.28 -1.11 0.00 0.00 175.55 176.45 1v8s n LEU 14 N 3.00 0.41 -3.61 -1.29 4.77 0.64 -4.97 117.00 115.95 1v8s n LEU 14 Ca -0.18 -0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 55.44 1v8s n LEU 14 Cb 0.53 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1v8s n LEU 14 CO 0.29 0.10 0.71 -0.47 -1.33 0.00 0.00 177.39 176.70 1v8s s TYR 15 N -2.89 -0.48 -0.20 -1.77 5.04 -1.01 -4.95 117.35 111.09 1v8s s TYR 15 Ca 0.00 1.06 -0.02 0.00 -2.44 0.00 0.00 57.07 55.67 1v8s s TYR 15 Cb 0.12 0.38 0.06 0.00 0.35 0.00 0.00 41.96 42.87 1v8s s TYR 15 CO 0.71 -0.29 0.02 1.03 -1.34 0.00 0.00 175.55 175.68 1v8s s ARG 16 N -0.23 0.80 0.00 4.97 0.52 -1.26 -0.60 118.95 123.16 1v8s s ARG 16 Ca 0.01 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.72 1v8s s ARG 16 Cb -0.03 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.28 1v8s s ARG 16 CO -0.03 -0.63 0.00 0.41 0.02 0.00 0.00 175.30 175.08 1v8s n GLY 17 N 4.99 6.91 0.26 -3.53 0.00 0.46 -5.00 105.19 109.28 1v8s n GLY 17 Ca -0.09 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 43.86 1v8s n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1v8s h ARG 18 N 0.00 -0.60 -0.35 1.61 3.08 -2.02 -3.37 114.38 112.72 1v8s h ARG 18 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1v8s h ARG 18 Cb 0.00 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1v8s h ARG 18 CO 0.00 -0.40 0.00 0.44 -1.07 0.00 0.00 179.97 178.94 1v8s n ILE 19 N -4.44 1.72 -3.54 2.04 -5.35 -1.26 -5.02 119.36 103.50 1v8s n ILE 19 Ca -0.08 -1.42 -0.08 0.00 -0.27 0.00 0.00 62.75 60.90 1v8s n ILE 19 Cb 0.25 0.10 -0.03 0.00 -1.74 0.00 0.00 39.64 38.22 1v8s n ILE 19 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 1v8s s LEU 20 N -1.95 -0.32 0.05 7.28 0.05 -1.26 -4.16 118.68 118.37 1v8s s LEU 20 Ca 0.36 0.12 0.07 0.00 0.05 0.00 0.00 54.13 54.73 1v8s s LEU 20 Cb 0.25 1.84 -0.03 0.00 -2.05 0.00 0.00 46.19 46.20 1v8s s LEU 20 CO 0.14 -0.45 -0.20 0.20 -0.55 0.00 0.00 176.35 175.48 1v8s s ASN 21 N -1.99 2.40 -0.27 1.48 0.01 -0.77 -0.41 114.94 115.39 1v8s s ASN 21 Ca 0.04 -0.55 -0.03 0.00 -0.71 0.00 0.00 52.86 51.61 1v8s s ASN 21 Cb -0.01 -0.18 0.02 0.00 0.41 0.00 0.00 41.25 41.49 1v8s s ASN 21 CO -0.05 0.13 -0.00 -0.22 -1.51 0.00 0.00 177.10 175.45 1v8s s LEU 22 N -1.31 3.55 0.40 0.60 2.96 0.24 -1.21 118.68 123.91 1v8s s LEU 22 Ca 0.07 -0.89 0.07 0.00 -0.22 0.00 0.00 54.13 53.16 1v8s s LEU 22 Cb -0.09 -1.75 -0.07 0.00 0.50 0.00 0.00 46.19 44.78 1v8s s LEU 22 CO 0.02 -0.18 0.03 0.00 -1.32 0.00 0.00 176.35 174.91 1v8s s ALA 23 N 1.37 3.23 -0.09 5.97 0.00 0.64 -0.26 121.76 132.62 1v8s s ALA 23 Ca 0.00 -2.23 0.01 0.00 0.00 0.00 0.00 51.96 49.74 1v8s s ALA 23 Cb -0.17 0.01 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1v8s s ALA 23 CO -0.01 -0.10 -0.10 -0.51 0.00 0.00 0.00 175.76 175.04 1v8s s LEU 24 N -3.74 1.43 -0.70 0.00 1.02 0.24 -1.27 118.68 115.67 1v8s s LEU 24 Ca 0.36 -0.30 0.05 0.00 0.02 0.00 0.00 54.13 54.26 1v8s s LEU 24 Cb 0.08 -0.82 0.18 0.00 0.02 0.00 0.00 46.19 45.64 1v8s s LEU 24 CO 0.19 -0.04 0.52 1.21 0.02 0.00 0.00 176.35 178.25 1v8s n GLU 25 N 4.33 1.89 0.00 1.70 2.13 0.15 -0.24 120.64 130.60 1v8s n GLU 25 Ca -0.18 -4.49 0.00 0.00 0.66 0.00 0.00 57.16 53.14 1v8s n GLU 25 Cb 0.51 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.94 1v8s n GLU 25 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1v8s n GLY 26 N 1.85 1.91 0.08 8.31 0.00 -1.26 -2.73 105.19 113.35 1v8s n GLY 26 Ca 0.21 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 1v8s n GLY 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1v8s n ARG 27 N 4.28 0.63 -2.29 1.61 0.63 -1.26 -4.92 116.66 115.34 1v8s n ARG 27 Ca 0.00 0.26 -0.42 0.00 -0.92 0.00 0.00 57.85 56.77 1v8s n ARG 27 Cb 0.00 -1.78 -0.03 0.00 0.45 0.00 0.00 32.46 31.10 1v8s n ARG 27 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1v8s s TYR 28 N -2.69 3.07 -0.33 -0.14 2.02 -1.11 -5.00 117.35 113.17 1v8s s TYR 28 Ca -0.04 0.99 -0.20 0.00 -0.37 0.00 0.00 57.07 57.45 1v8s s TYR 28 Cb 0.08 -3.58 -0.01 0.00 -0.40 0.00 0.00 41.96 38.05 1v8s s TYR 28 CO 0.82 -2.04 0.59 -1.21 -1.57 0.00 0.00 175.55 172.15 1v8s s GLU 29 N 1.93 3.78 -0.11 -0.62 2.02 -1.26 -0.67 118.70 123.76 1v8s s GLU 29 Ca 0.62 0.11 0.01 0.00 0.02 0.00 0.00 54.97 55.73 1v8s s GLU 29 Cb -0.31 -3.77 -0.01 0.00 0.10 0.00 0.00 34.13 30.14 1v8s s GLU 29 CO 0.27 -0.63 -0.16 0.42 0.02 0.00 0.00 175.26 175.18 1v8s s ILE 30 N 2.57 2.77 -0.35 -1.63 -1.09 -0.39 -4.74 121.20 118.33 1v8s s ILE 30 Ca 0.23 -0.77 -0.07 0.00 -2.23 0.00 0.00 60.65 57.81 1v8s s ILE 30 Cb -0.15 -2.13 0.04 0.00 -1.58 0.00 0.00 42.46 38.64 1v8s s ILE 30 CO 0.13 0.54 0.14 -0.69 -1.23 0.00 0.00 174.94 173.83 1v8s s VAL 31 N 0.22 3.96 0.17 2.92 1.01 0.16 -0.26 120.40 128.59 1v8s s VAL 31 Ca -0.10 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.45 1v8s s VAL 31 Cb -0.16 -3.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 1v8s s VAL 31 CO 0.06 -0.23 0.94 -1.61 0.00 0.00 0.00 175.10 174.26 1v8s s GLU 32 N 1.43 4.76 -0.02 2.72 2.02 -0.35 -2.74 118.70 126.52 1v8s s GLU 32 Ca -0.00 1.45 -0.07 0.00 0.02 0.00 0.00 54.97 56.37 1v8s s GLU 32 Cb -0.20 -3.33 0.01 0.00 0.10 0.00 0.00 34.13 30.71 1v8s s GLU 32 CO 0.03 0.38 0.14 -1.58 0.02 0.00 0.00 175.26 174.26 1v8s s HIS 33 N -0.62 -0.04 0.55 1.61 2.46 -1.26 -1.85 115.29 116.14 1v8s s HIS 33 Ca 0.43 0.07 -0.21 0.00 0.47 0.00 0.00 55.06 55.83 1v8s s HIS 33 Cb -0.25 -0.01 -0.05 0.00 -0.13 0.00 0.00 32.58 32.15 1v8s s HIS 33 CO 0.31 -0.21 1.26 0.15 -2.47 0.00 0.00 174.74 173.77 1v8s s LYS 34 N -0.84 3.19 0.81 2.88 1.02 -1.26 -4.37 119.74 121.16 1v8s s LYS 34 Ca -0.09 1.98 -0.11 0.00 0.02 0.00 0.00 55.97 57.77 1v8s s LYS 34 Cb -0.05 -2.16 0.08 0.00 -0.52 0.00 0.00 37.83 35.18 1v8s s LYS 34 CO 0.01 -1.07 1.10 -1.25 -0.92 0.00 0.00 175.35 173.21 1v8s s PRO 35 N -3.03 1.98 0.28 -1.68 0.04 -1.26 -4.58 135.00 126.75 1v8s s PRO 35 Ca 0.72 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.94 1v8s s PRO 35 Cb -0.34 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1v8s s PRO 35 CO 0.39 -1.84 0.12 0.00 0.04 0.00 0.00 177.00 175.71 1v8s s ALA 36 N -2.88 1.90 0.15 8.56 0.00 0.47 -1.93 121.76 128.04 1v8s s ALA 36 Ca 0.62 -1.81 0.04 0.00 0.00 0.00 0.00 51.96 50.81 1v8s s ALA 36 Cb -0.18 1.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1v8s s ALA 36 CO 0.56 -0.46 -0.08 0.14 0.00 0.00 0.00 175.76 175.92 1v8s s VAL 37 N -3.66 1.07 -0.04 0.00 -7.23 -0.42 -0.43 120.40 109.71 1v8s s VAL 37 Ca 0.36 -2.04 -0.08 0.00 -1.81 0.00 0.00 61.98 58.41 1v8s s VAL 37 Cb 0.07 -1.90 0.01 0.00 0.56 0.00 0.00 36.38 35.12 1v8s s VAL 37 CO 0.15 -0.70 0.19 0.00 -0.31 0.00 0.00 175.10 174.44 1v8s s ALA 38 N -3.39 -0.47 -0.17 1.32 0.00 -0.45 -2.00 121.76 116.60 1v8s s ALA 38 Ca 0.18 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.43 1v8s s ALA 38 Cb 0.03 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1v8s s ALA 38 CO 0.01 -0.16 -0.16 0.08 0.00 0.00 0.00 175.76 175.53 1v8s s VAL 39 N -0.61 1.84 -0.28 0.00 1.01 0.19 -0.50 120.40 122.05 1v8s s VAL 39 Ca -0.07 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 60.86 1v8s s VAL 39 Cb -0.04 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1v8s s VAL 39 CO 0.01 0.45 0.55 -0.63 0.00 0.00 0.00 175.10 175.47 1v8s s ILE 40 N 1.37 5.03 -0.08 2.22 1.01 0.12 -4.07 121.20 126.80 1v8s s ILE 40 Ca 0.04 0.81 0.01 0.00 0.00 0.00 0.00 60.65 61.51 1v8s s ILE 40 Cb -0.14 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.46 1v8s s ILE 40 CO -0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 174.94 174.73 1v8s s ALA 41 N 2.40 1.14 -0.05 9.38 0.00 -1.26 -0.67 121.76 132.70 1v8s s ALA 41 Ca 0.22 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 51.87 1v8s s ALA 41 Cb -0.15 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 1v8s s ALA 41 CO 0.10 -0.09 -0.24 -1.17 0.00 0.00 0.00 175.76 174.37 1v8s s LEU 42 N 1.07 2.17 -0.12 0.00 2.96 -1.26 -1.20 118.68 122.29 1v8s s LEU 42 Ca -0.07 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 1v8s s LEU 42 Cb -0.14 -1.40 0.06 0.00 0.50 0.00 0.00 46.19 45.21 1v8s s LEU 42 CO -0.01 0.27 0.22 -0.60 -1.32 0.00 0.00 176.35 174.91 1v8s s ARG 43 N -0.31 0.11 -1.40 1.98 3.52 0.44 -4.90 118.95 118.39 1v8s s ARG 43 Ca 0.01 0.62 -0.03 0.00 -0.13 0.00 0.00 55.73 56.19 1v8s s ARG 43 Cb -0.13 -0.27 0.02 0.00 -1.56 0.00 0.00 34.95 33.02 1v8s s ARG 43 CO 0.02 -0.34 0.62 0.39 -0.81 0.00 0.00 175.30 175.18 1v8s n GLU 44 N 5.34 -4.19 -0.84 5.12 1.02 -1.26 -1.23 120.64 124.60 1v8s n GLU 44 Ca -0.05 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1v8s n GLU 44 Cb 0.50 -4.94 0.00 0.00 -0.02 0.00 0.00 31.44 26.98 1v8s n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v8s n GLY 45 N -1.75 0.68 3.67 0.62 0.00 -1.26 -5.00 105.19 102.15 1v8s n GLY 45 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1v8s n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1v8s s ARG 46 N -0.32 2.97 0.02 1.61 0.52 -0.36 -4.33 118.95 119.05 1v8s s ARG 46 Ca 0.00 -0.43 -0.03 0.00 -0.52 0.00 0.00 55.73 54.76 1v8s s ARG 46 Cb 0.00 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 1v8s s ARG 46 CO 0.00 0.69 0.21 1.41 0.02 0.00 0.00 175.30 177.63 1v8s s MET 47 N -0.85 3.47 -0.76 3.54 -2.45 0.13 -0.42 119.30 121.95 1v8s s MET 47 Ca 0.13 -0.31 -0.21 0.00 -1.25 0.00 0.00 55.69 54.05 1v8s s MET 47 Cb -0.11 -3.07 0.09 0.00 1.25 0.00 0.00 34.83 32.99 1v8s s MET 47 CO 0.02 0.65 1.03 -1.17 1.05 0.00 0.00 175.02 176.60 1v8s s LEU 48 N -2.08 4.59 0.38 4.11 2.96 -0.34 -1.02 118.68 127.28 1v8s s LEU 48 Ca 0.30 -1.36 0.07 0.00 -0.22 0.00 0.00 54.13 52.92 1v8s s LEU 48 Cb -0.13 -2.42 0.00 0.00 0.50 0.00 0.00 46.19 44.15 1v8s s LEU 48 CO 0.21 -1.32 0.52 -0.36 -1.32 0.00 0.00 176.35 174.08 1v8s s PHE 49 N 3.62 2.96 -0.00 5.38 0.40 -0.59 -4.19 117.98 125.56 1v8s s PHE 49 Ca 0.26 -0.31 -0.09 0.00 -0.60 0.00 0.00 56.93 56.19 1v8s s PHE 49 Cb -0.12 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 41.22 1v8s s PHE 49 CO 0.03 -0.22 0.18 0.14 0.70 0.00 0.00 175.22 176.05 1v8s s VAL 50 N -2.26 0.07 0.03 -0.44 -7.23 -0.01 -0.59 120.40 109.98 1v8s s VAL 50 Ca 0.50 -0.61 0.03 0.00 -1.81 0.00 0.00 61.98 60.09 1v8s s VAL 50 Cb -0.10 -0.47 -0.02 0.00 0.56 0.00 0.00 36.38 36.35 1v8s s VAL 50 CO 0.32 -0.34 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.55 1v8s s ARG 51 N -1.31 0.65 0.14 4.82 0.52 0.13 -1.67 118.95 122.23 1v8s s ARG 51 Ca -0.14 -0.61 -0.17 0.00 -0.52 0.00 0.00 55.73 54.29 1v8s s ARG 51 Cb -0.07 -0.56 0.04 0.00 0.52 0.00 0.00 34.95 34.88 1v8s s ARG 51 CO 0.02 0.13 0.45 1.14 0.02 0.00 0.00 175.30 177.06 1v8s s GLN 52 N -1.04 1.13 0.12 3.54 -2.07 -1.26 0.19 119.66 120.28 1v8s s GLN 52 Ca -0.03 -0.67 -0.31 0.00 -1.82 0.00 0.00 55.36 52.53 1v8s s GLN 52 Cb -0.07 0.50 -0.08 0.00 -1.09 0.00 0.00 33.01 32.27 1v8s s GLN 52 CO 0.01 -0.46 1.36 1.41 -1.32 0.00 0.00 175.29 176.29 1v8s s MET 53 N -3.80 4.34 -0.42 9.60 -2.45 -1.26 -4.47 119.30 120.84 1v8s s MET 53 Ca 0.03 2.05 0.04 0.00 -1.25 0.00 0.00 55.69 56.55 1v8s s MET 53 Cb 0.01 -3.25 0.12 0.00 1.25 0.00 0.00 34.83 32.96 1v8s s MET 53 CO -0.11 -0.39 0.16 1.03 1.05 0.00 0.00 175.02 176.75 1v8s s ARG 54 N 0.91 1.67 0.41 4.11 1.81 -1.19 -4.98 118.95 121.68 1v8s s ARG 54 Ca 0.63 -2.19 0.16 0.00 -1.72 0.00 0.00 55.73 52.61 1v8s s ARG 54 Cb -0.36 -3.17 1.05 0.00 -0.45 0.00 0.00 34.95 32.01 1v8s s ARG 54 CO 0.31 -1.03 1.85 -1.35 -0.68 0.00 0.00 175.30 174.40 1v8s h PRO 55 N 7.08 0.43 -0.17 3.54 0.11 -1.93 -0.71 132.00 140.35 1v8s h PRO 55 Ca -0.06 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.07 1v8s h PRO 55 Cb 0.96 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1v8s h PRO 55 CO 0.59 0.29 0.14 0.00 -0.21 0.00 0.00 178.00 178.81 1v8s h ALA 56 N 1.61 2.01 -0.00 -0.75 0.00 -1.94 -3.08 119.26 117.11 1v8s h ALA 56 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1v8s h ALA 56 Cb 1.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1v8s h ALA 56 CO -0.20 -0.22 -0.00 1.33 0.00 0.00 0.00 179.25 180.16 1v8s n VAL 57 N -4.24 0.00 -0.91 0.00 0.24 -0.38 -5.01 118.33 108.02 1v8s n VAL 57 Ca 0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 1v8s n VAL 57 Cb 0.26 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 1v8s n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1v8s n GLY 58 N 0.31 0.37 3.50 7.63 0.00 -0.56 -4.94 105.19 111.50 1v8s n GLY 58 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1v8s n GLY 58 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1v8s s LEU 59 N 0.00 1.02 -0.54 0.99 0.05 -1.25 -4.99 118.68 113.96 1v8s s LEU 59 Ca 0.00 -1.51 -0.01 0.00 0.05 0.00 0.00 54.13 52.66 1v8s s LEU 59 Cb 0.00 1.51 0.14 0.00 -2.05 0.00 0.00 46.19 45.79 1v8s s LEU 59 CO 0.00 -1.33 0.33 0.00 -0.55 0.00 0.00 176.35 174.81 1v8s s ALA 60 N -2.95 3.40 0.80 1.48 0.00 -1.26 -3.16 121.76 120.07 1v8s s ALA 60 Ca 0.30 -3.06 -0.11 0.00 0.00 0.00 0.00 51.96 49.09 1v8s s ALA 60 Cb -0.01 -2.48 0.07 0.00 0.00 0.00 0.00 23.12 20.70 1v8s s ALA 60 CO 0.21 -2.00 1.09 -1.25 0.00 0.00 0.00 175.76 173.81 1v8s s PRO 61 N 0.23 2.02 -0.28 0.00 0.04 -1.26 -4.76 135.00 130.99 1v8s s PRO 61 Ca 0.15 0.85 -0.25 0.00 0.04 0.00 0.00 61.00 61.79 1v8s s PRO 61 Cb -0.22 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1v8s s PRO 61 CO -0.03 -1.72 0.85 -1.17 0.04 0.00 0.00 177.00 174.97 1v8s s LEU 62 N -5.90 4.06 0.00 -3.56 2.96 0.96 -4.56 118.68 112.64 1v8s s LEU 62 Ca 0.61 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 55.39 1v8s s LEU 62 Cb -0.16 -3.19 -0.00 0.00 0.50 0.00 0.00 46.19 43.33 1v8s s LEU 62 CO 0.56 -0.62 0.02 -0.62 -1.32 0.00 0.00 176.35 174.37 1v8s n GLU 63 N 6.23 1.22 -4.36 1.98 1.02 -0.67 -2.60 120.64 123.46 1v8s n GLU 63 Ca 0.06 -1.55 -0.19 0.00 -0.02 0.00 0.00 57.16 55.45 1v8s n GLU 63 Cb 0.48 0.57 -0.10 0.00 -0.02 0.00 0.00 31.44 32.36 1v8s n GLU 63 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1v8s s ILE 64 N -1.94 1.83 -0.16 -3.67 -4.36 -1.26 -0.83 121.20 110.81 1v8s s ILE 64 Ca 0.03 -2.20 -0.40 0.00 -0.26 0.00 0.00 60.65 57.82 1v8s s ILE 64 Cb 0.00 -2.05 -0.17 0.00 1.25 0.00 0.00 42.46 41.49 1v8s s ILE 64 CO 0.02 -0.55 1.50 -2.65 0.24 0.00 0.00 174.94 173.50 1v8s n PRO 65 N -0.33 0.79 -3.68 0.37 -0.02 -1.26 -4.74 135.00 126.14 1v8s n PRO 65 Ca -0.08 0.29 -0.09 0.00 -2.02 0.00 0.00 63.50 61.59 1v8s n PRO 65 Cb 0.60 -1.90 -0.02 0.00 -0.02 0.00 0.00 33.50 32.16 1v8s n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1v8s s ALA 66 N 1.98 -1.32 0.00 3.55 0.00 -1.26 -0.63 121.76 124.08 1v8s s ALA 66 Ca 0.94 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1v8s s ALA 66 Cb -1.13 0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1v8s s ALA 66 CO 0.61 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1v8s n GLY 67 N -0.41 -1.39 3.80 0.00 0.00 -0.84 -4.99 105.19 101.36 1v8s n GLY 67 Ca -0.10 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 1v8s n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8s s LEU 68 N 0.00 4.35 -0.24 0.99 1.02 -1.26 -1.29 118.68 122.24 1v8s s LEU 68 Ca 0.00 1.58 -0.29 0.00 0.02 0.00 0.00 54.13 55.44 1v8s s LEU 68 Cb 0.00 -3.72 0.01 0.00 0.02 0.00 0.00 46.19 42.50 1v8s s LEU 68 CO 0.00 0.01 1.05 -0.63 0.02 0.00 0.00 176.35 176.80 1v8s s ILE 69 N -1.54 4.64 0.75 -0.59 1.01 -0.81 -4.91 121.20 119.75 1v8s s ILE 69 Ca 0.45 1.97 -0.11 0.00 0.00 0.00 0.00 60.65 62.96 1v8s s ILE 69 Cb -0.18 -4.32 0.04 0.00 0.01 0.00 0.00 42.46 38.01 1v8s s ILE 69 CO 0.22 -0.23 1.09 -1.61 0.00 0.00 0.00 174.94 174.41 1v8s s GLU 70 N 3.29 2.51 0.34 2.79 0.41 -1.26 -4.81 118.70 121.96 1v8s s GLU 70 Ca 0.45 0.62 -0.29 0.00 -0.41 0.00 0.00 54.97 55.34 1v8s s GLU 70 Cb -0.15 -1.97 -0.12 0.00 -1.78 0.00 0.00 34.13 30.12 1v8s s GLU 70 CO 0.08 -1.31 1.47 -2.30 -0.49 0.00 0.00 175.26 172.70 1v8s n PRO 71 N -3.22 2.53 0.00 0.39 -0.02 -1.26 -2.56 135.00 130.86 1v8s n PRO 71 Ca 0.07 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1v8s n PRO 71 Cb 0.56 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1v8s n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1v8s n GLY 72 N 1.08 2.89 3.96 -1.23 0.00 -1.26 -5.04 105.19 105.59 1v8s n GLY 72 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1v8s n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1v8s s GLU 73 N -0.11 3.46 0.52 1.61 -1.05 -1.06 -5.12 118.70 116.96 1v8s s GLU 73 Ca 0.00 -0.57 0.08 0.00 -0.15 0.00 0.00 54.97 54.33 1v8s s GLU 73 Cb 0.00 -2.80 0.05 0.00 -0.44 0.00 0.00 34.13 30.94 1v8s s GLU 73 CO 0.00 0.31 0.58 0.16 0.95 0.00 0.00 175.26 177.27 1v8s s ASP 74 N -3.96 5.01 0.18 0.83 1.47 -1.26 -4.78 116.67 114.16 1v8s s ASP 74 Ca 0.37 -0.90 -0.16 0.00 1.18 0.00 0.00 52.55 53.03 1v8s s ASP 74 Cb -0.09 0.09 0.15 0.00 -0.34 0.00 0.00 42.92 42.73 1v8s s ASP 74 CO 0.32 -1.10 1.65 -0.65 0.68 0.00 0.00 175.17 176.07 1v8s h PRO 75 N 0.54 -0.02 -0.28 2.11 0.11 -1.99 -1.71 132.00 130.76 1v8s h PRO 75 Ca -0.35 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.82 1v8s h PRO 75 Cb 1.29 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.35 1v8s h PRO 75 CO 0.49 -0.01 -0.03 1.25 -0.21 0.00 0.00 178.00 179.49 1v8s h LEU 76 N -0.02 -0.18 -1.02 2.35 5.85 -1.97 0.21 115.31 120.53 1v8s h LEU 76 Ca 0.24 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.97 1v8s h LEU 76 Cb 0.38 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1v8s h LEU 76 CO -0.52 -0.05 0.03 -0.33 -0.34 0.00 0.00 178.44 177.23 1v8s h GLU 77 N 0.05 0.73 -0.43 1.25 5.08 -1.88 -1.30 114.58 118.08 1v8s h GLU 77 Ca 0.14 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1v8s h GLU 77 Cb 0.19 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1v8s h GLU 77 CO -0.26 0.73 -0.18 0.00 -1.00 0.00 0.00 179.01 178.30 1v8s h ALA 78 N 1.34 0.60 -0.61 3.43 0.00 -0.76 -1.47 119.26 121.78 1v8s h ALA 78 Ca 0.14 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1v8s h ALA 78 Cb 0.38 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1v8s h ALA 78 CO 0.01 0.55 0.37 0.00 0.00 0.00 0.00 179.25 180.18 1v8s h ALA 79 N 0.84 0.79 -0.13 0.00 0.00 -0.09 -0.49 119.26 120.18 1v8s h ALA 79 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1v8s h ALA 79 Cb 0.74 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1v8s h ALA 79 CO 0.06 0.11 0.07 -0.09 0.00 0.00 0.00 179.25 179.40 1v8s h ARG 80 N 0.73 0.18 -0.13 0.00 2.43 -1.05 -2.23 114.38 114.31 1v8s h ARG 80 Ca 0.25 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1v8s h ARG 80 Cb 0.03 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1v8s h ARG 80 CO -0.11 0.20 0.06 -0.09 -1.51 0.00 0.00 179.97 178.52 1v8s h ARG 81 N 0.11 0.13 -0.92 0.20 2.43 -0.87 -2.02 114.38 113.44 1v8s h ARG 81 Ca 0.04 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1v8s h ARG 81 Cb 0.07 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 1v8s h ARG 81 CO -0.01 0.09 0.60 0.93 -1.51 0.00 0.00 179.97 180.07 1v8s h GLU 82 N 0.13 1.16 -0.57 0.20 4.39 -1.04 0.28 114.58 119.14 1v8s h GLU 82 Ca 0.05 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1v8s h GLU 82 Cb 0.01 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.37 1v8s h GLU 82 CO -0.04 0.77 0.26 1.25 -1.16 0.00 0.00 179.01 180.09 1v8s h LEU 83 N 1.19 0.75 0.07 1.33 5.85 -1.21 -0.75 115.31 122.55 1v8s h LEU 83 Ca 0.36 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1v8s h LEU 83 Cb -0.05 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1v8s h LEU 83 CO -0.10 0.68 -0.04 0.00 -0.34 0.00 0.00 178.44 178.65 1v8s h ALA 84 N 1.10 -0.10 -0.62 1.25 0.00 -0.60 -1.78 119.26 118.50 1v8s h ALA 84 Ca 0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1v8s h ALA 84 Cb 0.14 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1v8s h ALA 84 CO -0.02 -0.33 0.23 0.93 0.00 0.00 0.00 179.25 180.06 1v8s h GLU 85 N -0.55 0.95 0.00 0.00 5.08 -0.45 0.45 114.58 120.05 1v8s h GLU 85 Ca -0.01 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.01 1v8s h GLU 85 Cb 0.47 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1v8s h GLU 85 CO 0.02 0.82 -1.01 0.93 -1.00 0.00 0.00 179.01 178.76 1v8s h GLU 86 N 0.88 0.00 0.00 2.33 5.08 -1.23 -3.40 114.58 118.25 1v8s h GLU 86 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1v8s h GLU 86 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1v8s h GLU 86 CO -0.01 0.49 0.00 0.25 -1.00 0.00 0.00 179.01 178.73 1v8s n THR 87 N -3.10 0.00 -1.34 1.13 -2.24 -0.68 -4.84 114.28 103.21 1v8s n THR 87 Ca -0.04 -0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 61.34 1v8s n THR 87 Cb 0.83 1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 70.18 1v8s n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v8s n GLY 88 N 0.34 1.11 3.64 3.38 0.00 0.16 -4.96 105.19 108.85 1v8s n GLY 88 Ca 0.00 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 1v8s n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8s s LEU 89 N -2.34 2.92 0.09 0.99 1.43 -1.20 -0.90 118.68 119.68 1v8s s LEU 89 Ca 0.00 -1.23 -0.12 0.00 -1.03 0.00 0.00 54.13 51.74 1v8s s LEU 89 Cb 0.00 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 45.15 1v8s s LEU 89 CO 0.00 -0.41 0.28 -0.94 0.23 0.00 0.00 176.35 175.51 1v8s s SER 90 N -3.74 -0.05 0.00 2.29 1.04 -0.16 -2.61 113.70 110.47 1v8s s SER 90 Ca 0.36 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1v8s s SER 90 Cb 0.06 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1v8s s SER 90 CO 0.19 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1v8s n GLY 91 N 0.03 1.53 3.60 7.32 0.00 -1.26 -0.25 105.19 116.16 1v8s n GLY 91 Ca -0.16 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 1v8s n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1v8s s ASP 92 N 0.18 6.44 -0.15 1.61 1.01 0.66 -4.83 116.67 121.58 1v8s s ASP 92 Ca 0.00 0.42 -0.07 0.00 0.71 0.00 0.00 52.55 53.61 1v8s s ASP 92 Cb 0.00 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 1v8s s ASP 92 CO 0.00 -0.38 0.10 -0.76 0.21 0.00 0.00 175.17 174.33 1v8s s LEU 93 N 2.43 4.08 -0.07 1.23 1.02 -1.26 -0.96 118.68 125.15 1v8s s LEU 93 Ca 0.22 0.26 0.02 0.00 0.02 0.00 0.00 54.13 54.66 1v8s s LEU 93 Cb -0.15 -2.01 0.01 0.00 0.02 0.00 0.00 46.19 44.06 1v8s s LEU 93 CO 0.11 0.28 -0.14 -0.89 0.02 0.00 0.00 176.35 175.73 1v8s s THR 94 N -0.29 1.28 0.20 5.49 2.01 -0.16 -4.94 115.64 119.23 1v8s s THR 94 Ca 0.10 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 1v8s s THR 94 Cb -0.12 -1.16 -0.09 0.00 0.01 0.00 0.00 72.50 71.14 1v8s s THR 94 CO 0.01 0.39 1.37 -0.47 -0.69 0.00 0.00 174.62 175.23 1v8s s TYR 95 N 0.66 3.17 -0.09 4.92 5.04 -1.26 -0.69 117.35 129.09 1v8s s TYR 95 Ca -0.14 1.10 -0.12 0.00 -2.44 0.00 0.00 57.07 55.47 1v8s s TYR 95 Cb -0.16 -3.70 -0.04 0.00 0.35 0.00 0.00 41.96 38.41 1v8s s TYR 95 CO 0.04 -2.26 -0.24 1.28 -1.34 0.00 0.00 175.55 173.03 1v8s n LEU 96 N 2.73 1.64 -3.92 6.97 4.77 -0.03 -4.90 117.00 124.27 1v8s n LEU 96 Ca 0.07 0.26 0.01 0.00 -0.03 0.00 0.00 56.01 56.32 1v8s n LEU 96 Cb 0.42 -0.61 0.01 0.00 -2.33 0.00 0.00 43.42 40.91 1v8s n LEU 96 CO 0.59 -0.42 1.01 0.72 -1.33 0.00 0.00 177.39 177.95 1v8s s PHE 97 N -2.58 0.03 0.14 -1.77 -0.00 -1.20 -5.03 117.98 107.56 1v8s s PHE 97 Ca -0.20 -0.23 -0.03 0.00 -0.00 0.00 0.00 56.93 56.47 1v8s s PHE 97 Cb 0.03 0.60 -0.03 0.00 -0.00 0.00 0.00 43.02 43.62 1v8s s PHE 97 CO 0.29 -0.47 0.12 -1.54 -0.00 0.00 0.00 175.22 173.62 1v8s s SER 98 N -3.59 0.24 0.01 1.98 1.04 -1.26 -0.20 113.70 111.91 1v8s s SER 98 Ca 0.25 -1.12 -0.28 0.00 0.48 0.00 0.00 55.95 55.29 1v8s s SER 98 Cb -0.01 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.51 1v8s s SER 98 CO 0.01 -0.77 0.63 -0.72 0.98 0.00 0.00 173.24 173.37 1v8s s TYR 99 N -4.03 -0.59 -0.18 5.02 1.13 -0.64 -4.98 117.35 113.10 1v8s s TYR 99 Ca 0.22 0.85 -0.21 0.00 -1.41 0.00 0.00 57.07 56.53 1v8s s TYR 99 Cb 0.06 0.42 -0.03 0.00 -1.10 0.00 0.00 41.96 41.32 1v8s s TYR 99 CO 0.01 -0.66 0.61 -0.06 -2.51 0.00 0.00 175.55 172.95 1v8s s PHE 100 N -1.88 3.41 0.39 -3.49 0.40 -1.26 -0.58 117.98 114.97 1v8s s PHE 100 Ca -0.08 0.95 0.09 0.00 -0.60 0.00 0.00 56.93 57.29 1v8s s PHE 100 Cb -0.00 -2.76 0.85 0.00 0.51 0.00 0.00 43.02 41.61 1v8s s PHE 100 CO 0.04 -0.11 1.96 -0.39 0.70 0.00 0.00 175.22 177.42 1v8s h VAL 101 N 5.08 0.97 -0.60 -0.44 -1.51 -1.75 -3.38 116.25 114.62 1v8s h VAL 101 Ca -0.34 -0.21 -0.08 0.00 -1.23 0.00 0.00 66.70 64.84 1v8s h VAL 101 Cb 1.15 0.29 -0.16 0.00 -2.13 0.00 0.00 31.29 30.45 1v8s h VAL 101 CO 0.77 0.11 -0.33 -0.24 -1.23 0.00 0.00 177.57 176.65 1v8s n SER 102 N -4.48 -2.56 0.12 4.19 2.88 -1.26 -5.02 113.62 107.48 1v8s n SER 102 Ca 0.11 -2.09 0.07 0.00 -1.33 0.00 0.00 58.87 55.63 1v8s n SER 102 Cb 0.29 1.31 0.38 0.00 -0.75 0.00 0.00 64.21 65.45 1v8s n SER 102 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1v8s n PRO 103 N 2.71 0.09 0.26 -1.46 -0.04 -1.25 -1.69 135.00 133.62 1v8s n PRO 103 Ca 0.15 0.57 0.15 0.00 -0.04 0.00 0.00 63.50 64.33 1v8s n PRO 103 Cb 0.60 -1.89 0.55 0.00 -0.04 0.00 0.00 33.50 32.73 1v8s n PRO 103 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1v8s h GLY 104 N 0.00 0.00 0.00 0.55 0.00 -1.96 -3.39 103.07 98.26 1v8s h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1v8s h GLY 104 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.51 1v8s n PHE 105 N -3.14 0.00 -4.27 5.60 1.16 -0.92 -4.97 117.46 110.93 1v8s n PHE 105 Ca 0.01 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.41 1v8s n PHE 105 Cb 0.37 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.13 1v8s n PHE 105 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1v8s s THR 106 N -0.06 1.42 -1.81 1.97 -1.32 -0.68 -0.67 115.64 114.50 1v8s s THR 106 Ca 0.00 -1.85 0.21 0.00 -1.21 0.00 0.00 61.69 58.83 1v8s s THR 106 Cb 0.00 -1.68 0.60 0.00 -1.51 0.00 0.00 72.50 69.91 1v8s s THR 106 CO 0.00 -0.47 1.50 -0.90 -2.21 0.00 0.00 174.62 172.53 1v8s n ASP 107 N 0.28 3.81 -4.69 8.08 3.85 -1.11 -3.95 116.55 122.83 1v8s n ASP 107 Ca -0.13 -2.00 -0.44 0.00 -0.71 0.00 0.00 54.79 51.50 1v8s n ASP 107 Cb 0.58 -0.45 -0.04 0.00 -1.35 0.00 0.00 41.12 39.86 1v8s n ASP 107 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1v8s n GLU 108 N 1.48 2.51 -5.18 0.11 2.13 -1.26 -4.81 120.64 115.61 1v8s n GLU 108 Ca 0.23 0.91 -0.32 0.00 0.66 0.00 0.00 57.16 58.64 1v8s n GLU 108 Cb 0.59 -2.76 -0.16 0.00 0.27 0.00 0.00 31.44 29.38 1v8s n GLU 108 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1v8s s LYS 109 N 2.34 2.87 -0.18 5.31 2.20 -1.26 -2.05 119.74 128.96 1v8s s LYS 109 Ca 0.82 -0.86 -0.02 0.00 -0.36 0.00 0.00 55.97 55.55 1v8s s LYS 109 Cb -0.57 -2.28 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 1v8s s LYS 109 CO 0.40 0.28 -0.08 0.99 -0.36 0.00 0.00 175.35 176.57 1v8s s THR 110 N 0.10 3.22 -0.26 3.43 2.01 0.25 -0.40 115.64 124.00 1v8s s THR 110 Ca -0.11 -0.57 -0.12 0.00 0.31 0.00 0.00 61.69 61.20 1v8s s THR 110 Cb -0.16 -2.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.89 1v8s s THR 110 CO 0.06 0.47 0.22 -1.00 -0.69 0.00 0.00 174.62 173.69 1v8s s HIS 111 N 0.96 3.26 -0.14 4.92 0.09 0.43 -1.62 115.29 123.19 1v8s s HIS 111 Ca -0.01 0.23 -0.10 0.00 -0.00 0.00 0.00 55.06 55.18 1v8s s HIS 111 Cb -0.15 -2.39 -0.05 0.00 -0.00 0.00 0.00 32.58 30.00 1v8s s HIS 111 CO -0.00 -0.10 0.18 0.08 -0.00 0.00 0.00 174.74 174.90 1v8s s VAL 112 N 1.57 5.41 0.20 -0.90 1.01 0.71 -1.34 120.40 127.07 1v8s s VAL 112 Ca 0.09 0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.46 1v8s s VAL 112 Cb -0.15 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1v8s s VAL 112 CO 0.09 0.52 -0.17 -0.36 0.00 0.00 0.00 175.10 175.18 1v8s s PHE 113 N -0.35 1.88 -0.13 5.22 0.40 0.35 -0.85 117.98 124.49 1v8s s PHE 113 Ca 0.13 -0.48 -0.02 0.00 -0.60 0.00 0.00 56.93 55.96 1v8s s PHE 113 Cb -0.12 -0.88 -0.03 0.00 0.51 0.00 0.00 43.02 42.50 1v8s s PHE 113 CO 0.03 0.42 -0.04 -1.17 0.70 0.00 0.00 175.22 175.15 1v8s s LEU 114 N -3.09 3.24 -0.09 -0.37 2.96 0.13 0.12 118.68 121.59 1v8s s LEU 114 Ca 0.21 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1v8s s LEU 114 Cb -0.04 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 1v8s s LEU 114 CO 0.08 0.24 -0.14 0.00 -1.32 0.00 0.00 176.35 175.21 1v8s s ALA 115 N -0.06 2.64 0.21 5.97 0.00 0.16 -0.99 121.76 129.69 1v8s s ALA 115 Ca 0.01 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1v8s s ALA 115 Cb -0.13 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 1v8s s ALA 115 CO 0.03 0.42 0.04 -1.21 0.00 0.00 0.00 175.76 175.03 1v8s s GLU 116 N -0.24 1.25 -1.30 0.00 2.02 -0.14 -4.19 118.70 116.11 1v8s s GLU 116 Ca 0.01 -1.64 -0.06 0.00 0.02 0.00 0.00 54.97 53.31 1v8s s GLU 116 Cb -0.13 -0.29 -0.00 0.00 0.10 0.00 0.00 34.13 33.81 1v8s s GLU 116 CO 0.03 -0.20 0.61 0.09 0.02 0.00 0.00 175.26 175.81 1v8s n ASN 117 N -0.35 -1.99 -4.73 -0.19 5.03 -1.26 -0.25 115.26 111.52 1v8s n ASN 117 Ca -0.04 -0.95 -0.42 0.00 0.87 0.00 0.00 54.58 54.04 1v8s n ASN 117 Cb 0.64 -3.46 -0.03 0.00 -1.02 0.00 0.00 39.78 35.92 1v8s n ASN 117 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1v8s s LEU 118 N -6.72 4.37 0.04 3.41 1.43 -1.26 -4.45 118.68 115.50 1v8s s LEU 118 Ca 0.14 2.72 0.07 0.00 -1.03 0.00 0.00 54.13 56.03 1v8s s LEU 118 Cb -0.05 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 1v8s s LEU 118 CO 0.86 -0.83 -0.20 -0.54 0.23 0.00 0.00 176.35 175.87 1v8s s LYS 119 N 0.46 1.36 -0.13 1.70 3.01 0.66 -4.96 119.74 121.84 1v8s s LYS 119 Ca 0.67 -0.91 -0.21 0.00 -1.01 0.00 0.00 55.97 54.50 1v8s s LYS 119 Cb -0.45 -1.46 -0.03 0.00 -1.01 0.00 0.00 37.83 34.88 1v8s s LYS 119 CO 0.37 0.37 0.61 -2.00 0.51 0.00 0.00 175.35 175.21 1v8s s GLU 120 N -1.14 4.33 -0.01 1.68 2.12 -1.26 -0.99 118.70 123.42 1v8s s GLU 120 Ca 0.07 0.65 0.07 0.00 0.36 0.00 0.00 54.97 56.12 1v8s s GLU 120 Cb -0.09 -3.49 -0.10 0.00 0.26 0.00 0.00 34.13 30.71 1v8s s GLU 120 CO 0.02 -0.02 0.20 1.33 -0.54 0.00 0.00 175.26 176.25 1v8s n VAL 121 N 4.08 0.00 0.00 3.70 0.24 -0.07 -4.96 118.33 121.31 1v8s n VAL 121 Ca -0.03 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1v8s n VAL 121 Cb 0.51 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 1v8s n VAL 121 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1v8s n GLU 122 N -1.57 0.00 0.00 7.34 1.02 -0.93 -5.05 120.64 121.45 1v8s n GLU 122 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1v8s n GLU 122 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 1v8s n GLU 122 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1v8s n ALA 130 N -3.00 0.00 -3.07 0.62 0.00 -1.26 -5.04 120.51 108.76 1v8s n ALA 130 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1v8s n ALA 130 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1v8s n ALA 130 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1v8s s ILE 131 N 0.00 3.06 -0.23 0.00 2.07 -1.26 -4.48 121.20 120.36 1v8s s ILE 131 Ca 0.00 -0.66 -0.15 0.00 -1.41 0.00 0.00 60.65 58.43 1v8s s ILE 131 Cb 0.00 -2.28 -0.04 0.00 0.13 0.00 0.00 42.46 40.27 1v8s s ILE 131 CO 0.00 0.52 0.36 -0.70 -1.91 0.00 0.00 174.94 173.22 1v8s s GLU 132 N 0.34 4.11 -0.20 3.50 2.12 0.13 -4.92 118.70 123.78 1v8s s GLU 132 Ca -0.11 0.10 -0.24 0.00 0.36 0.00 0.00 54.97 55.08 1v8s s GLU 132 Cb -0.16 -3.57 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 1v8s s GLU 132 CO 0.06 -0.10 0.79 0.08 -0.54 0.00 0.00 175.26 175.54 1v8s s VAL 133 N 1.51 4.90 -0.50 3.70 1.01 -1.26 -0.69 120.40 129.06 1v8s s VAL 133 Ca 0.16 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.70 1v8s s VAL 133 Cb -0.15 -4.09 0.13 0.00 0.00 0.00 0.00 36.38 32.27 1v8s s VAL 133 CO 0.08 0.02 0.26 -0.69 0.00 0.00 0.00 175.10 174.77 1v8s s VAL 134 N 2.29 2.28 0.01 2.92 1.01 0.25 -4.98 120.40 124.19 1v8s s VAL 134 Ca 0.35 -3.15 -0.30 0.00 0.00 0.00 0.00 61.98 58.88 1v8s s VAL 134 Cb -0.16 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1v8s s VAL 134 CO 0.11 -0.83 1.26 0.26 0.00 0.00 0.00 175.10 175.90 1v8s s TRP 135 N -0.16 3.21 -0.21 5.22 0.52 -1.26 -1.55 118.94 124.71 1v8s s TRP 135 Ca 0.17 1.13 -0.23 0.00 0.02 0.00 0.00 56.10 57.20 1v8s s TRP 135 Cb -0.25 -3.50 0.06 0.00 -1.15 0.00 0.00 33.47 28.63 1v8s s TRP 135 CO -0.00 -1.66 0.63 1.41 0.02 0.00 0.00 176.95 177.35 1v8s s MET 136 N 1.74 0.77 0.22 4.98 1.75 -0.18 -4.92 119.30 123.65 1v8s s MET 136 Ca 0.60 0.78 -0.31 0.00 -1.25 0.00 0.00 55.69 55.51 1v8s s MET 136 Cb -0.29 0.37 -0.10 0.00 2.84 0.00 0.00 34.83 37.65 1v8s s MET 136 CO 0.26 -0.12 1.54 1.03 -0.65 0.00 0.00 175.02 177.09 1v8s s ARG 137 N 0.12 4.21 0.43 4.11 0.52 -1.26 0.17 118.95 127.25 1v8s s ARG 137 Ca -0.02 2.40 0.14 0.00 -0.52 0.00 0.00 55.73 57.74 1v8s s ARG 137 Cb -0.04 -3.11 1.04 0.00 0.52 0.00 0.00 34.95 33.36 1v8s s ARG 137 CO 0.02 -0.56 1.97 -1.35 0.02 0.00 0.00 175.30 175.40 1v8s h PRO 138 N 5.84 0.40 -0.33 3.54 0.11 -1.93 0.15 132.00 139.78 1v8s h PRO 138 Ca -0.45 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1v8s h PRO 138 Cb 1.21 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1v8s h PRO 138 CO 0.85 0.26 -0.04 0.93 -0.21 0.00 0.00 178.00 179.79 1v8s h GLU 139 N 0.41 0.52 -0.05 1.05 3.07 -1.92 -1.56 114.58 116.10 1v8s h GLU 139 Ca 0.30 -0.12 -0.20 0.00 -0.50 0.00 0.00 59.36 58.83 1v8s h GLU 139 Cb 0.61 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1v8s h GLU 139 CO -0.08 0.58 -0.82 1.49 -1.40 0.00 0.00 179.01 178.78 1v8s h GLU 140 N 0.49 0.43 -0.39 2.33 4.57 -1.11 -1.79 114.58 119.11 1v8s h GLU 140 Ca 0.10 -0.39 -0.06 0.00 -1.18 0.00 0.00 59.36 57.83 1v8s h GLU 140 Cb 0.39 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1v8s h GLU 140 CO 0.02 1.04 -0.00 0.00 -1.18 0.00 0.00 179.01 178.89 1v8s h ALA 141 N 0.84 0.52 0.04 2.92 0.00 -1.04 -1.15 119.26 121.39 1v8s h ALA 141 Ca -0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1v8s h ALA 141 Cb 1.42 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1v8s h ALA 141 CO 0.14 0.30 -0.02 1.25 0.00 0.00 0.00 179.25 180.92 1v8s h LEU 142 N 0.51 -0.04 -0.56 0.00 5.85 -1.26 -0.98 115.31 118.83 1v8s h LEU 142 Ca 0.11 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1v8s h LEU 142 Cb 0.47 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1v8s h LEU 142 CO 0.02 -0.01 0.35 -0.08 -0.34 0.00 0.00 178.44 178.37 1v8s h GLU 143 N -0.07 0.75 -0.57 1.25 4.81 -1.27 -0.65 114.58 118.82 1v8s h GLU 143 Ca -0.01 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1v8s h GLU 143 Cb 0.06 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1v8s h GLU 143 CO 0.01 0.53 0.28 0.00 -0.73 0.00 0.00 179.01 179.09 1v8s h ARG 144 N 0.75 0.81 -0.25 1.92 3.08 -1.02 -2.14 114.38 117.52 1v8s h ARG 144 Ca 0.20 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1v8s h ARG 144 Cb -0.04 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 1v8s h ARG 144 CO -0.04 0.63 -0.22 1.25 -1.07 0.00 0.00 179.97 180.51 1v8s h HIS 145 N 0.81 0.71 0.00 3.04 2.76 -0.64 0.33 115.15 122.17 1v8s h HIS 145 Ca 0.20 -0.21 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1v8s h HIS 145 Cb 0.08 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 28.89 1v8s h HIS 145 CO 0.01 0.91 -0.02 1.96 -1.30 0.00 0.00 177.93 179.49 1v8s h GLN 146 N 0.32 0.00 -0.01 5.26 4.20 -0.77 0.12 115.11 124.24 1v8s h GLN 146 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1v8s h GLN 146 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1v8s h GLN 146 CO 0.06 0.02 -0.17 0.54 -0.67 0.00 0.00 178.83 178.60 1v8s n ARG 147 N -3.63 1.04 -0.98 1.46 1.74 -0.84 -4.91 116.66 110.54 1v8s n ARG 147 Ca -0.03 -0.58 0.00 0.00 -0.77 0.00 0.00 57.85 56.47 1v8s n ARG 147 Cb 0.10 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1v8s n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1v8s n GLY 148 N 1.29 0.44 0.14 -0.13 0.00 0.03 -4.94 105.19 102.02 1v8s n GLY 148 Ca 0.14 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 1v8s n GLY 148 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1v8s h GLU 149 N 0.42 0.50 -4.73 1.61 4.22 -1.11 -3.47 114.58 112.02 1v8s h GLU 149 Ca 0.00 -0.85 -0.29 0.00 0.08 0.00 0.00 59.36 58.30 1v8s h GLU 149 Cb 0.00 0.32 -0.20 0.00 0.50 0.00 0.00 28.75 29.36 1v8s h GLU 149 CO 0.00 1.41 -0.74 0.14 -2.18 0.00 0.00 179.01 177.64 1v8s s VAL 150 N -2.56 0.68 0.16 0.32 -7.23 -1.18 -4.98 120.40 105.60 1v8s s VAL 150 Ca -0.10 -1.25 0.03 0.00 -1.81 0.00 0.00 61.98 58.84 1v8s s VAL 150 Cb 0.03 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 1v8s s VAL 150 CO 0.92 -0.43 0.27 -1.61 -0.31 0.00 0.00 175.10 173.95 1v8s s GLU 151 N -1.95 3.37 0.08 4.82 0.41 -1.26 -4.30 118.70 119.86 1v8s s GLU 151 Ca -0.05 -0.65 0.06 0.00 -0.41 0.00 0.00 54.97 53.92 1v8s s GLU 151 Cb -0.08 -2.92 -0.04 0.00 -1.78 0.00 0.00 34.13 29.32 1v8s s GLU 151 CO 0.00 0.51 -0.09 -0.06 -0.49 0.00 0.00 175.26 175.12 1v8s s PHE 152 N -1.77 2.77 0.38 1.61 2.99 -1.26 -0.03 117.98 122.67 1v8s s PHE 152 Ca 0.34 -0.13 0.07 0.00 0.00 0.00 0.00 56.93 57.21 1v8s s PHE 152 Cb -0.11 -1.48 0.00 0.00 0.00 0.00 0.00 43.02 41.43 1v8s s PHE 152 CO 0.28 0.40 0.52 -1.54 -0.00 0.00 0.00 175.22 174.88 1v8s s SER 153 N -1.98 5.77 0.25 1.36 1.04 -1.07 -4.83 113.70 114.24 1v8s s SER 153 Ca 0.20 -0.33 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 1v8s s SER 153 Cb -0.11 -0.91 0.29 0.00 0.10 0.00 0.00 66.02 65.39 1v8s s SER 153 CO 0.12 -0.61 1.90 0.00 0.98 0.00 0.00 173.24 175.63 1v8s h ALA 154 N 0.77 1.24 -0.65 5.32 0.00 -2.00 -1.71 119.26 122.23 1v8s h ALA 154 Ca -0.43 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1v8s h ALA 154 Cb 1.27 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1v8s h ALA 154 CO 0.49 0.50 0.32 1.79 0.00 0.00 0.00 179.25 182.35 1v8s h THR 155 N 1.20 1.22 -0.48 0.00 1.35 -1.94 0.10 112.91 114.35 1v8s h THR 155 Ca 0.37 -0.60 -0.04 0.00 -0.55 0.00 0.00 66.41 65.59 1v8s h THR 155 Cb -0.01 0.42 -0.02 0.00 -1.73 0.00 0.00 68.15 66.81 1v8s h THR 155 CO -0.12 0.25 0.15 1.23 -0.25 0.00 0.00 175.52 176.79 1v8s h GLY 156 N 0.89 0.80 1.02 5.82 0.00 -1.57 -0.83 103.07 109.21 1v8s h GLY 156 Ca 0.22 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 1v8s h GLY 156 CO -0.03 0.44 -0.06 -2.00 0.00 0.00 0.00 176.54 174.89 1v8s h LEU 157 N 0.65 0.88 -0.92 3.11 5.85 -1.14 -1.65 115.31 122.09 1v8s h LEU 157 Ca 0.16 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1v8s h LEU 157 Cb 0.27 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1v8s h LEU 157 CO -0.01 1.01 0.60 0.58 -0.34 0.00 0.00 178.44 180.28 1v8s h VAL 158 N 0.74 1.24 -0.41 1.05 2.07 -0.81 0.12 116.25 120.25 1v8s h VAL 158 Ca 0.13 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1v8s h VAL 158 Cb 0.59 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1v8s h VAL 158 CO 0.04 0.24 0.19 1.23 0.02 0.00 0.00 177.57 179.28 1v8s h GLY 159 N 1.25 0.63 0.95 2.17 0.00 -0.86 0.75 103.07 107.96 1v8s h GLY 159 Ca 0.33 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1v8s h GLY 159 CO -0.07 0.30 0.05 -2.08 0.00 0.00 0.00 176.54 174.74 1v8s h VAL 160 N 0.51 1.07 -0.52 4.60 2.07 -0.79 -1.73 116.25 121.46 1v8s h VAL 160 Ca 0.14 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 1v8s h VAL 160 Cb 0.13 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1v8s h VAL 160 CO -0.02 0.06 0.01 -0.07 0.02 0.00 0.00 177.57 177.58 1v8s h LEU 161 N 0.07 0.89 -0.73 2.57 3.38 -0.87 -2.27 115.31 118.35 1v8s h LEU 161 Ca 0.03 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1v8s h LEU 161 Cb 0.06 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1v8s h LEU 161 CO -0.01 0.98 0.47 0.22 0.09 0.00 0.00 178.44 180.19 1v8s h TYR 162 N 0.79 0.88 0.76 1.13 3.20 -0.75 -1.48 116.97 121.49 1v8s h TYR 162 Ca 0.15 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1v8s h TYR 162 Cb 0.51 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 38.50 1v8s h TYR 162 CO 0.04 0.51 -0.38 -0.92 -1.64 0.00 0.00 178.16 175.77 1v8s h TYR 163 N 0.92 -0.99 -0.58 -3.82 3.20 -1.13 0.72 116.97 115.29 1v8s h TYR 163 Ca 0.29 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.31 1v8s h TYR 163 Cb -0.00 0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1v8s h TYR 163 CO -0.04 -0.61 0.42 0.45 -1.64 0.00 0.00 178.16 176.75 1v8s h HIS 164 N -1.04 0.00 0.09 -3.82 3.86 -1.21 0.94 115.15 113.97 1v8s h HIS 164 Ca -0.10 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.89 1v8s h HIS 164 Cb 0.81 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.27 1v8s h HIS 164 CO -0.04 0.00 -1.12 0.00 0.86 0.00 0.00 177.93 177.64 1v8s h ALA 165 N 1.71 0.13 0.00 2.45 0.00 -0.99 -3.44 119.26 119.12 1v8s h ALA 165 Ca 0.28 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1v8s h ALA 165 Cb 1.11 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1v8s h ALA 165 CO -0.00 0.63 0.00 1.19 0.00 0.00 0.00 179.25 181.07 1v8s n PHE 166 N -4.12 0.00 0.02 0.00 3.01 0.22 -4.82 117.46 111.77 1v8s n PHE 166 Ca -0.23 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.27 1v8s n PHE 166 Cb 0.80 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.35 1v8s n PHE 166 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1v8s n LEU 167 N -0.13 2.27 0.19 4.37 4.77 0.30 -4.57 117.00 124.21 1v8s n LEU 167 Ca 0.00 -1.68 0.14 0.00 -0.03 0.00 0.00 56.01 54.44 1v8s n LEU 167 Cb 0.04 -0.10 0.50 0.00 -2.33 0.00 0.00 43.42 41.53 1v8s n LEU 167 CO 0.00 0.54 0.90 0.03 -1.33 0.00 0.00 177.39 177.54 1v8s h ARG 168 N 1.31 0.00 0.00 3.23 3.08 -1.84 -3.49 114.38 116.66 1v8s h ARG 168 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1v8s h ARG 168 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1v8s h ARG 168 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31