#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a8s s ARG 19 N 0.00 0.30 0.31 0.54 3.52 -0.80 -4.94 118.95 117.87 2a8s s ARG 19 Ca 0.00 -0.14 -0.29 0.00 -0.13 0.00 0.00 55.73 55.17 2a8s s ARG 19 Cb 0.00 0.13 -0.10 0.00 -1.56 0.00 0.00 34.95 33.42 2a8s s ARG 19 CO 0.00 -0.06 1.24 -0.80 -0.81 0.00 0.00 175.30 174.87 2a8s s ASN 20 N -0.69 6.94 -0.11 -2.12 -0.87 -1.26 0.48 114.94 117.31 2a8s s ASN 20 Ca -0.08 2.53 -0.14 0.00 -1.57 0.00 0.00 52.86 53.60 2a8s s ASN 20 Cb -0.05 -2.64 0.04 0.00 -0.02 0.00 0.00 41.25 38.58 2a8s s ASN 20 CO 0.01 -0.41 0.38 -0.51 -2.57 0.00 0.00 177.10 174.00 2a8s s ILE 21 N -1.05 0.01 0.68 0.60 2.07 -1.03 -4.82 121.20 117.66 2a8s s ILE 21 Ca 0.48 -0.11 -0.12 0.00 -1.41 0.00 0.00 60.65 59.49 2a8s s ILE 21 Cb -0.37 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 41.65 2a8s s ILE 21 CO 0.48 -0.06 1.07 -0.94 -1.91 0.00 0.00 174.94 173.58 2a8s s SER 22 N -0.20 5.32 0.10 4.50 1.04 -1.26 -4.01 113.70 119.18 2a8s s SER 22 Ca -0.04 1.72 -0.31 0.00 0.48 0.00 0.00 55.95 57.80 2a8s s SER 22 Cb -0.03 -2.51 -0.12 0.00 0.10 0.00 0.00 66.02 63.45 2a8s s SER 22 CO 0.02 -1.48 1.61 -0.09 0.98 0.00 0.00 173.24 174.27 2a8s h ARG 23 N -0.46 -0.69 -0.40 4.02 2.43 -1.96 -2.05 114.38 115.27 2a8s h ARG 23 Ca -0.45 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2a8s h ARG 23 Cb 1.22 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.90 2a8s h ARG 23 CO 0.56 -0.46 0.24 1.49 -1.51 0.00 0.00 179.97 180.29 2a8s h GLU 24 N -0.72 0.54 -0.17 0.20 4.81 -1.99 -1.99 114.58 115.27 2a8s h GLU 24 Ca -0.01 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 58.96 2a8s h GLU 24 Cb 0.67 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.94 2a8s h GLU 24 CO -0.11 0.37 -0.76 1.49 -0.73 0.00 0.00 179.01 179.28 2a8s h GLU 25 N 0.55 0.81 0.00 1.92 4.81 -1.92 -3.14 114.58 117.61 2a8s h GLU 25 Ca 0.15 -0.65 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 2a8s h GLU 25 Cb -0.03 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2a8s h GLU 25 CO -0.03 1.25 -0.45 0.66 -0.73 0.00 0.00 179.01 179.72 2a8s h SER 26 N 0.56 0.00 0.97 1.04 4.64 -0.86 -2.44 113.55 117.47 2a8s h SER 26 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2a8s h SER 26 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2a8s h SER 26 CO 0.16 0.45 0.00 0.18 -0.87 0.00 0.00 176.83 176.74 2a8s n LEU 27 N -3.58 0.17 -0.15 5.97 4.77 -0.79 -2.76 117.00 120.64 2a8s n LEU 27 Ca -0.00 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 2a8s n LEU 27 Cb 0.55 -0.47 0.38 0.00 -2.33 0.00 0.00 43.42 41.55 2a8s n LEU 27 CO 0.38 -0.11 0.64 0.00 -1.33 0.00 0.00 177.39 176.97 2a8s n GLN 28 N -1.67 0.55 -2.45 3.23 6.02 -0.92 -4.94 117.38 117.21 2a8s n GLN 28 Ca 0.06 -0.30 -0.34 0.00 -0.01 0.00 0.00 57.00 56.41 2a8s n GLN 28 Cb 0.32 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.06 2a8s n GLN 28 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2a8s s LEU 29 N -2.66 3.80 -0.06 1.08 1.43 -1.11 -5.06 118.68 116.10 2a8s s LEU 29 Ca 0.21 1.97 0.04 0.00 -1.03 0.00 0.00 54.13 55.32 2a8s s LEU 29 Cb 0.19 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.83 2a8s s LEU 29 CO 0.56 -0.90 -0.19 -1.83 0.23 0.00 0.00 176.35 174.23 2a8s s GLU 30 N -3.31 2.57 -0.49 1.70 4.04 -1.26 -4.70 118.70 117.25 2a8s s GLU 30 Ca 0.68 -0.79 0.00 0.00 0.04 0.00 0.00 54.97 54.90 2a8s s GLU 30 Cb -0.18 -2.30 0.00 0.00 0.02 0.00 0.00 34.13 31.67 2a8s s GLU 30 CO 0.23 0.49 0.00 0.41 -1.84 0.00 0.00 175.26 174.55 2a8s n GLY 31 N 2.67 0.58 3.76 -3.83 0.00 -1.26 -5.04 105.19 102.08 2a8s n GLY 31 Ca -0.17 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 2a8s n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a8s s TYR 32 N -2.20 3.20 0.11 1.61 1.51 -1.26 -4.84 117.35 115.48 2a8s s TYR 32 Ca 0.00 0.12 -0.18 0.00 -1.01 0.00 0.00 57.07 56.00 2a8s s TYR 32 Cb 0.00 -1.67 -0.07 0.00 -0.11 0.00 0.00 41.96 40.11 2a8s s TYR 32 CO 0.00 0.52 0.59 0.21 -1.11 0.00 0.00 175.55 175.76 2a8s s LYS 33 N -2.03 4.16 -0.02 -0.62 2.20 0.22 -4.94 119.74 118.70 2a8s s LYS 33 Ca 0.25 0.70 0.07 0.00 -0.36 0.00 0.00 55.97 56.63 2a8s s LYS 33 Cb -0.12 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 2a8s s LYS 33 CO 0.17 0.57 -0.22 -1.01 -0.36 0.00 0.00 175.35 174.50 2a8s s HIS 34 N -1.26 2.47 0.02 4.03 3.76 -1.26 0.73 115.29 123.78 2a8s s HIS 34 Ca 0.33 -0.33 0.02 0.00 -0.15 0.00 0.00 55.06 54.93 2a8s s HIS 34 Cb -0.18 -1.53 -0.01 0.00 1.11 0.00 0.00 32.58 31.96 2a8s s HIS 34 CO 0.20 0.07 -0.06 0.00 -0.85 0.00 0.00 174.74 174.09 2a8s s ALA 35 N -0.69 0.46 -0.03 -1.40 0.00 -0.18 -0.40 121.76 119.52 2a8s s ALA 35 Ca 0.11 -0.49 0.07 0.00 0.00 0.00 0.00 51.96 51.65 2a8s s ALA 35 Cb -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 2a8s s ALA 35 CO 0.00 0.02 -0.25 0.00 0.00 0.00 0.00 175.76 175.53 2a8s s HIS 37 N -0.48 0.12 -0.00 0.00 3.76 -0.57 -0.58 115.29 117.54 2a8s s HIS 37 Ca 0.06 -0.25 0.03 0.00 -0.15 0.00 0.00 55.06 54.75 2a8s s HIS 37 Cb -0.11 -0.10 -0.01 0.00 1.11 0.00 0.00 32.58 33.48 2a8s s HIS 37 CO 0.00 -0.20 -0.09 0.00 -0.85 0.00 0.00 174.74 173.60 2a8s s ALA 38 N -1.15 0.77 -0.38 -1.40 0.00 -0.45 -0.68 121.76 118.46 2a8s s ALA 38 Ca -0.13 -0.43 -0.13 0.00 0.00 0.00 0.00 51.96 51.28 2a8s s ALA 38 Cb -0.07 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.88 2a8s s ALA 38 CO 0.00 0.18 0.24 -1.17 0.00 0.00 0.00 175.76 175.01 2a8s s LEU 39 N -0.31 4.82 -0.05 0.00 2.96 0.05 -4.01 118.68 122.14 2a8s s LEU 39 Ca 0.03 -0.90 -0.17 0.00 -0.22 0.00 0.00 54.13 52.88 2a8s s LEU 39 Cb -0.04 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 2a8s s LEU 39 CO -0.00 -0.39 0.45 -0.76 -1.32 0.00 0.00 176.35 174.33 2a8s s LEU 40 N 1.61 4.39 0.05 -0.68 1.43 -1.26 -2.00 118.68 122.23 2a8s s LEU 40 Ca 0.04 0.92 -0.09 0.00 -1.03 0.00 0.00 54.13 53.97 2a8s s LEU 40 Cb -0.19 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.38 2a8s s LEU 40 CO 0.08 0.18 0.19 -1.38 0.23 0.00 0.00 176.35 175.65 2a8s s HIS 41 N -0.33 0.09 -0.01 0.29 -3.43 -1.04 -2.43 115.29 108.43 2a8s s HIS 41 Ca 0.25 -0.38 -0.12 0.00 -0.80 0.00 0.00 55.06 54.01 2a8s s HIS 41 Cb -0.16 -0.05 0.02 0.00 -1.43 0.00 0.00 32.58 30.96 2a8s s HIS 41 CO 0.12 -0.46 0.25 0.00 -2.00 0.00 0.00 174.74 172.66 2a8s s ALA 42 N -2.93 -0.63 0.52 -1.38 0.00 -0.57 -0.52 121.76 116.26 2a8s s ALA 42 Ca -0.02 0.19 -0.20 0.00 0.00 0.00 0.00 51.96 51.93 2a8s s ALA 42 Cb 0.01 0.06 -0.07 0.00 0.00 0.00 0.00 23.12 23.12 2a8s s ALA 42 CO -0.06 -0.24 1.12 -1.25 0.00 0.00 0.00 175.76 175.34 2a8s s PRO 43 N -1.27 3.50 0.02 0.00 0.04 -1.26 0.54 135.00 136.57 2a8s s PRO 43 Ca -0.13 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2a8s s PRO 43 Cb -0.06 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2a8s s PRO 43 CO 0.03 -0.73 -0.03 0.45 0.04 0.00 0.00 177.00 176.76 2a8s s SER 44 N -1.72 0.28 0.00 6.66 0.15 0.57 -4.54 113.70 115.10 2a8s s SER 44 Ca 0.70 -0.39 0.22 0.00 0.70 0.00 0.00 55.95 57.18 2a8s s SER 44 Cb -0.24 0.07 0.17 0.00 -1.71 0.00 0.00 66.02 64.30 2a8s s SER 44 CO 0.27 -0.21 1.18 0.00 1.20 0.00 0.00 173.24 175.68 2a8s n GLN 45 N 1.93 1.98 -1.87 5.44 1.13 -1.26 -3.76 117.38 120.97 2a8s n GLN 45 Ca -0.21 -1.76 -0.38 0.00 -1.94 0.00 0.00 57.00 52.71 2a8s n GLN 45 Cb 0.56 -1.41 0.03 0.00 0.11 0.00 0.00 30.24 29.53 2a8s n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2a8s s ALA 46 N -1.82 2.80 -0.17 -1.58 0.00 -1.26 -4.89 121.76 114.85 2a8s s ALA 46 Ca 0.25 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.46 2a8s s ALA 46 Cb 0.18 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.80 2a8s s ALA 46 CO 0.28 -1.26 -0.10 0.15 0.00 0.00 0.00 175.76 174.82 2a8s s LYS 47 N -2.92 1.97 0.19 0.00 1.02 -1.26 -1.48 119.74 117.26 2a8s s LYS 47 Ca 0.71 -0.64 -0.32 0.00 0.02 0.00 0.00 55.97 55.74 2a8s s LYS 47 Cb -0.38 -2.17 -0.11 0.00 -0.52 0.00 0.00 37.83 34.65 2a8s s LYS 47 CO 0.44 -0.35 1.69 -1.17 -0.92 0.00 0.00 175.35 175.05 2a8s s LEU 48 N 1.49 4.37 -1.11 3.17 2.96 0.13 -0.72 118.68 128.97 2a8s s LEU 48 Ca 0.02 2.80 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 2a8s s LEU 48 Cb -0.15 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.95 2a8s s LEU 48 CO -0.09 -0.94 0.00 0.49 -1.32 0.00 0.00 176.35 174.49 2a8s n PHE 49 N 4.13 -0.97 -0.79 5.38 0.99 -1.26 -1.17 117.46 123.77 2a8s n PHE 49 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 2a8s n PHE 49 Cb 0.36 -2.53 0.00 0.00 -1.00 0.00 0.00 39.48 36.31 2a8s n PHE 49 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2a8s n ASP 50 N -1.09 -2.76 -0.02 4.37 9.92 0.10 -4.73 116.55 122.35 2a8s n ASP 50 Ca -0.13 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.12 2a8s n ASP 50 Cb 0.50 -2.59 -0.02 0.00 -0.64 0.00 0.00 41.12 38.36 2a8s n ASP 50 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2a8s n ARG 51 N -0.80 3.33 -3.74 -1.24 1.74 -0.62 -4.92 116.66 110.41 2a8s n ARG 51 Ca 0.00 -0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.70 2a8s n ARG 51 Cb 0.21 -1.08 -0.12 0.00 -1.02 0.00 0.00 32.46 30.46 2a8s n ARG 51 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2a8s s VAL 52 N -2.07 3.70 0.15 1.55 1.01 -0.32 -4.91 120.40 119.51 2a8s s VAL 52 Ca -0.02 -1.41 -0.31 0.00 0.00 0.00 0.00 61.98 60.24 2a8s s VAL 52 Cb 0.01 -3.23 -0.11 0.00 0.00 0.00 0.00 36.38 33.06 2a8s s VAL 52 CO 0.12 -0.35 1.78 -2.84 0.00 0.00 0.00 175.10 173.81 2a8s s PRO 53 N 1.34 4.14 0.25 2.72 0.02 -1.26 0.17 135.00 142.38 2a8s s PRO 53 Ca 0.01 2.58 -0.02 0.00 0.02 0.00 0.00 61.00 63.59 2a8s s PRO 53 Cb -0.21 -3.41 0.32 0.00 0.02 0.00 0.00 34.50 31.21 2a8s s PRO 53 CO 0.01 -0.80 1.72 0.82 -0.33 0.00 0.00 177.00 178.42 2a8s h ILE 54 N 4.39 1.25 0.00 2.83 1.08 -1.57 -3.45 117.51 122.05 2a8s h ILE 54 Ca -0.45 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 62.89 2a8s h ILE 54 Cb 1.21 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 36.01 2a8s h ILE 54 CO 0.95 0.38 0.00 0.54 -0.69 0.00 0.00 178.15 179.33 2a8s n ARG 55 N -4.17 0.00 -3.91 2.37 1.74 -1.25 -4.64 116.66 106.80 2a8s n ARG 55 Ca 0.01 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.99 2a8s n ARG 55 Cb 0.35 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.68 2a8s n ARG 55 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2a8s s ARG 56 N 0.00 0.32 -0.28 5.56 3.52 -1.26 -0.32 118.95 126.50 2a8s s ARG 56 Ca 0.00 -0.37 -0.12 0.00 -0.13 0.00 0.00 55.73 55.11 2a8s s ARG 56 Cb 0.00 0.13 -0.05 0.00 -1.56 0.00 0.00 34.95 33.47 2a8s s ARG 56 CO 0.00 -0.06 0.22 0.08 -0.81 0.00 0.00 175.30 174.73 2a8s s VAL 57 N -1.09 5.29 -0.18 7.11 1.01 0.19 -4.86 120.40 127.86 2a8s s VAL 57 Ca -0.12 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2a8s s VAL 57 Cb -0.07 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2a8s s VAL 57 CO 0.00 0.24 -0.17 -0.76 0.00 0.00 0.00 175.10 174.41 2a8s s LEU 58 N 1.80 2.28 -0.12 3.92 1.02 -1.26 -1.51 118.68 124.80 2a8s s LEU 58 Ca 0.08 -0.59 -0.21 0.00 0.02 0.00 0.00 54.13 53.43 2a8s s LEU 58 Cb -0.16 -1.53 -0.03 0.00 0.02 0.00 0.00 46.19 44.49 2a8s s LEU 58 CO 0.11 0.01 0.62 -0.76 0.02 0.00 0.00 176.35 176.34 2a8s s LEU 59 N 1.26 4.25 0.44 1.79 1.43 -1.02 -1.20 118.68 125.64 2a8s s LEU 59 Ca 0.04 0.97 0.04 0.00 -1.03 0.00 0.00 54.13 54.15 2a8s s LEU 59 Cb -0.14 -2.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 2a8s s LEU 59 CO -0.10 -0.14 0.13 -0.04 0.23 0.00 0.00 176.35 176.44 2a8s s MET 60 N 1.12 2.03 0.08 1.70 -1.94 -0.05 -4.55 119.30 117.70 2a8s s MET 60 Ca 0.32 -2.27 0.04 0.00 -1.71 0.00 0.00 55.69 52.06 2a8s s MET 60 Cb -0.16 -0.67 -0.03 0.00 2.01 0.00 0.00 34.83 35.97 2a8s s MET 60 CO 0.13 -0.53 -0.10 0.00 -0.01 0.00 0.00 175.02 174.51 2a8s s MET 61 N -3.68 0.78 -0.12 2.03 0.23 -0.71 -0.01 119.30 117.83 2a8s s MET 61 Ca 0.19 -1.05 -0.25 0.00 -1.03 0.00 0.00 55.69 53.55 2a8s s MET 61 Cb 0.01 -0.53 -0.03 0.00 -1.53 0.00 0.00 34.83 32.75 2a8s s MET 61 CO 0.13 0.09 0.78 1.41 -2.03 0.00 0.00 175.02 175.40 2a8s s MET 62 N -2.41 4.37 0.44 3.16 -2.45 -0.18 -2.00 119.30 120.23 2a8s s MET 62 Ca 0.01 0.97 0.03 0.00 -1.25 0.00 0.00 55.69 55.45 2a8s s MET 62 Cb -0.05 -3.52 0.00 0.00 1.25 0.00 0.00 34.83 32.52 2a8s s MET 62 CO 0.00 -0.14 0.64 1.03 1.05 0.00 0.00 175.02 177.60 2a8s s ARG 63 N 1.51 2.95 0.45 4.11 0.52 0.50 -0.40 118.95 128.59 2a8s s ARG 63 Ca 0.38 -0.74 0.22 0.00 -0.52 0.00 0.00 55.73 55.08 2a8s s ARG 63 Cb -0.17 -2.62 1.21 0.00 0.52 0.00 0.00 34.95 33.88 2a8s s ARG 63 CO 0.16 -0.29 1.87 0.27 0.02 0.00 0.00 175.30 177.33 2a8s h PHE 64 N 0.46 0.37 -0.02 -0.53 -0.00 -1.50 -1.50 116.94 114.22 2a8s h PHE 64 Ca -0.45 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.54 2a8s h PHE 64 Cb 1.27 -0.11 0.00 0.00 -0.00 0.00 0.00 35.95 37.10 2a8s h PHE 64 CO 0.42 0.09 0.00 -0.40 -0.00 0.00 0.00 178.31 178.43 2a8s n ASP 65 N -4.44 0.27 0.00 -0.68 5.68 -1.26 -4.87 116.55 111.24 2a8s n ASP 65 Ca 0.19 -1.45 0.00 0.00 -0.50 0.00 0.00 54.79 53.03 2a8s n ASP 65 Cb 0.77 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.73 2a8s n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a8s n GLY 66 N 0.85 0.52 3.50 6.12 0.00 -0.57 -5.06 105.19 110.55 2a8s n GLY 66 Ca 0.15 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 2a8s n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a8s s ARG 67 N -1.04 1.78 0.43 1.61 0.52 -1.26 -4.88 118.95 116.12 2a8s s ARG 67 Ca 0.00 -1.48 -0.22 0.00 -0.52 0.00 0.00 55.73 53.51 2a8s s ARG 67 Cb 0.00 -1.96 -0.10 0.00 0.52 0.00 0.00 34.95 33.42 2a8s s ARG 67 CO 0.00 0.40 1.00 -0.51 0.02 0.00 0.00 175.30 176.20 2a8s s LEU 68 N -2.95 3.99 0.29 2.53 1.43 0.04 -0.37 118.68 123.63 2a8s s LEU 68 Ca 0.25 1.85 -0.19 0.00 -1.03 0.00 0.00 54.13 55.00 2a8s s LEU 68 Cb -0.08 -4.42 0.07 0.00 0.03 0.00 0.00 46.19 41.79 2a8s s LEU 68 CO 0.13 -0.49 0.92 -0.83 0.23 0.00 0.00 176.35 176.31 2a8s s GLY 69 N -1.94 0.25 0.12 -3.19 0.00 -0.85 -1.72 107.32 99.98 2a8s s GLY 69 Ca 0.62 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.81 2a8s s GLY 69 CO 0.19 1.09 0.24 -1.36 0.00 0.00 0.00 173.10 173.26 2a8s s PHE 70 N -2.22 3.45 0.49 1.90 0.40 -1.26 -1.75 117.98 119.00 2a8s s PHE 70 Ca 0.19 0.14 -0.22 0.00 -0.60 0.00 0.00 56.93 56.44 2a8s s PHE 70 Cb -0.04 -1.68 -0.06 0.00 0.51 0.00 0.00 43.02 41.75 2a8s s PHE 70 CO 0.08 0.54 1.22 -1.25 0.70 0.00 0.00 175.22 176.51 2a8s s PRO 71 N -2.95 3.53 0.00 0.24 0.04 -1.26 -4.78 135.00 129.82 2a8s s PRO 71 Ca 0.34 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2a8s s PRO 71 Cb -0.12 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.10 2a8s s PRO 71 CO 0.28 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.95 2a8s n GLY 72 N 0.51 0.10 0.00 0.56 0.00 -1.26 -1.34 105.19 103.76 2a8s n GLY 72 Ca 0.09 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2a8s n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a8s n GLY 73 N -0.56 0.45 3.77 -0.02 0.00 0.26 -4.93 105.19 104.15 2a8s n GLY 73 Ca 0.00 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 2a8s n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a8s s PHE 74 N -2.06 3.01 -0.05 1.61 0.08 -1.26 -1.01 117.98 118.29 2a8s s PHE 74 Ca 0.00 1.50 0.02 0.00 0.12 0.00 0.00 56.93 58.57 2a8s s PHE 74 Cb 0.00 -3.51 0.01 0.00 -0.57 0.00 0.00 43.02 38.95 2a8s s PHE 74 CO 0.00 -1.60 -0.10 0.08 -0.10 0.00 0.00 175.22 173.50 2a8s s VAL 75 N -1.32 0.95 -0.60 -0.44 1.01 0.46 -4.89 120.40 115.57 2a8s s VAL 75 Ca 0.56 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.93 2a8s s VAL 75 Cb -0.34 -0.88 0.06 0.00 0.00 0.00 0.00 36.38 35.21 2a8s s VAL 75 CO 0.44 0.31 0.92 -0.62 0.00 0.00 0.00 175.10 176.14 2a8s s ASP 76 N 0.65 6.24 0.66 3.32 -1.08 -1.26 -4.06 116.67 121.14 2a8s s ASP 76 Ca -0.12 -0.76 0.41 0.00 -0.52 0.00 0.00 52.55 51.56 2a8s s ASP 76 Cb -0.15 -2.41 2.25 0.00 -1.46 0.00 0.00 42.92 41.16 2a8s s ASP 76 CO 0.02 -1.30 2.31 0.74 0.52 0.00 0.00 175.17 177.46 2a8s h THR 77 N 5.98 0.09 0.00 1.71 2.02 -1.94 -1.57 112.91 119.20 2a8s h THR 77 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2a8s h THR 77 Cb 1.07 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 2a8s h THR 77 CO 1.12 0.00 -0.22 0.54 0.37 0.00 0.00 175.52 177.34 2a8s n ARG 78 N -3.19 0.21 -0.05 6.66 1.74 -1.26 -4.35 116.66 116.42 2a8s n ARG 78 Ca -0.03 0.13 -0.11 0.00 -0.77 0.00 0.00 57.85 57.07 2a8s n ARG 78 Cb 0.11 -1.71 -0.04 0.00 -1.02 0.00 0.00 32.46 29.81 2a8s n ARG 78 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2a8s n ASP 79 N -2.06 0.83 -4.17 0.55 4.64 -0.68 -5.08 116.55 110.58 2a8s n ASP 79 Ca 0.05 0.14 -0.16 0.00 -1.38 0.00 0.00 54.79 53.45 2a8s n ASP 79 Cb 0.41 -0.34 -0.11 0.00 -1.04 0.00 0.00 41.12 40.04 2a8s n ASP 79 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 2a8s s ILE 80 N -2.21 0.99 0.94 5.18 -4.36 -0.70 -5.12 121.20 115.92 2a8s s ILE 80 Ca -0.15 -1.51 -0.11 0.00 -0.26 0.00 0.00 60.65 58.62 2a8s s ILE 80 Cb 0.05 -1.23 0.16 0.00 1.25 0.00 0.00 42.46 42.69 2a8s s ILE 80 CO 0.19 -0.44 1.09 -0.94 0.24 0.00 0.00 174.94 175.08 2a8s s SER 81 N -2.18 2.98 0.35 4.36 1.04 -1.26 -4.05 113.70 114.93 2a8s s SER 81 Ca 0.02 1.60 0.03 0.00 0.48 0.00 0.00 55.95 58.08 2a8s s SER 81 Cb -0.06 -2.25 0.64 0.00 0.10 0.00 0.00 66.02 64.45 2a8s s SER 81 CO 0.01 -2.97 1.96 -0.07 0.98 0.00 0.00 173.24 173.16 2a8s h LEU 82 N -1.77 0.63 -0.23 2.42 3.38 -1.94 -2.01 115.31 115.79 2a8s h LEU 82 Ca -0.51 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.31 2a8s h LEU 82 Cb 1.29 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2a8s h LEU 82 CO 0.52 0.53 -0.27 -0.33 0.09 0.00 0.00 178.44 178.98 2a8s h GLU 83 N 0.71 0.58 -0.54 1.13 3.07 -1.91 -1.91 114.58 115.72 2a8s h GLU 83 Ca 0.18 -0.33 -0.06 0.00 -0.50 0.00 0.00 59.36 58.65 2a8s h GLU 83 Cb 0.06 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 2a8s h GLU 83 CO -0.03 0.92 0.08 0.93 -1.40 0.00 0.00 179.01 179.52 2a8s h GLU 84 N 0.28 0.85 -0.18 2.33 4.39 -1.86 -1.33 114.58 119.06 2a8s h GLU 84 Ca 0.03 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 2a8s h GLU 84 Cb 0.84 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 2a8s h GLU 84 CO 0.07 0.80 0.02 0.78 -1.16 0.00 0.00 179.01 179.52 2a8s h GLY 85 N 0.98 0.33 0.95 -3.84 0.00 -1.31 -1.45 103.07 98.74 2a8s h GLY 85 Ca 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2a8s h GLY 85 CO 0.01 0.21 -0.06 -2.00 0.00 0.00 0.00 176.54 174.70 2a8s h LEU 86 N 0.09 -0.15 -0.72 3.11 5.85 -1.29 -1.35 115.31 120.85 2a8s h LEU 86 Ca 0.05 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.94 2a8s h LEU 86 Cb 0.33 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 41.27 2a8s h LEU 86 CO 0.00 -0.10 -0.11 0.50 -0.34 0.00 0.00 178.44 178.39 2a8s h LYS 87 N -0.15 0.03 -0.15 1.25 1.63 -1.13 0.41 116.57 118.47 2a8s h LYS 87 Ca -0.00 -0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 2a8s h LYS 87 Cb 0.13 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 2a8s h LYS 87 CO -0.00 0.02 -0.57 0.00 -3.45 0.00 0.00 179.45 175.45 2a8s h ARG 88 N 0.03 0.47 -0.05 1.90 3.08 -1.03 -2.68 114.38 116.11 2a8s h ARG 88 Ca 0.36 -0.31 -0.16 0.00 0.07 0.00 0.00 59.98 59.95 2a8s h ARG 88 Cb 0.59 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 2a8s h ARG 88 CO -0.70 0.91 -0.66 1.49 -1.07 0.00 0.00 179.97 179.94 2a8s h GLU 89 N 0.36 0.23 -0.11 0.04 4.57 -0.03 -2.30 114.58 117.34 2a8s h GLU 89 Ca 0.00 -0.17 -0.15 0.00 -1.18 0.00 0.00 59.36 57.86 2a8s h GLU 89 Cb 1.10 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 2a8s h GLU 89 CO 0.10 0.80 -0.59 -0.07 -1.18 0.00 0.00 179.01 178.07 2a8s h LEU 90 N 0.16 0.40 -0.27 1.64 3.38 -0.15 -1.76 115.31 118.72 2a8s h LEU 90 Ca -0.01 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 2a8s h LEU 90 Cb 1.18 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 2a8s h LEU 90 CO 0.10 0.90 -0.24 -0.08 0.09 0.00 0.00 178.44 179.21 2a8s h GLU 91 N 0.27 0.65 -0.94 1.13 4.81 -1.38 0.51 114.58 119.63 2a8s h GLU 91 Ca -0.00 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2a8s h GLU 91 Cb 1.11 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 2a8s h GLU 91 CO 0.10 0.93 0.58 1.49 -0.73 0.00 0.00 179.01 181.38 2a8s h GLU 92 N 0.38 1.26 0.02 1.92 4.81 -1.35 0.66 114.58 122.29 2a8s h GLU 92 Ca 0.05 -0.10 -0.34 0.00 -0.13 0.00 0.00 59.36 58.84 2a8s h GLU 92 Cb 0.80 -0.27 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 2a8s h GLU 92 CO 0.06 0.87 -2.03 0.39 -0.73 0.00 0.00 179.01 177.57 2a8s n GLU 93 N -4.38 0.67 -0.01 1.92 1.02 -0.67 -1.75 120.64 117.44 2a8s n GLU 93 Ca 0.11 0.19 0.05 0.00 -0.02 0.00 0.00 57.16 57.49 2a8s n GLU 93 Cb 0.04 -1.67 -0.10 0.00 -0.02 0.00 0.00 31.44 29.69 2a8s n GLU 93 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2a8s n LEU 94 N -3.07 0.00 0.00 -4.62 4.77 0.17 -4.74 117.00 109.51 2a8s n LEU 94 Ca -0.27 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 2a8s n LEU 94 Cb 1.07 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.19 2a8s n LEU 94 CO 0.42 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2a8s n GLY 95 N 1.81 -1.24 0.26 -0.72 0.00 0.22 -3.75 105.19 101.78 2a8s n GLY 95 Ca -0.04 -2.12 0.10 0.00 0.00 0.00 0.00 46.02 43.96 2a8s n GLY 95 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2a8s h PRO 96 N 2.01 0.00 0.00 1.61 0.11 -1.80 -2.73 132.00 131.20 2a8s h PRO 96 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2a8s h PRO 96 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2a8s h PRO 96 CO 0.00 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 177.90 2a8s h ALA 97 N 1.89 1.00 0.00 -0.75 0.00 -1.89 -1.53 119.26 117.98 2a8s h ALA 97 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a8s h ALA 97 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2a8s h ALA 97 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 2a8s n LEU 98 N -2.75 0.42 0.28 0.00 7.99 -1.03 -2.70 117.00 119.20 2a8s n LEU 98 Ca -0.01 0.56 0.11 0.00 -0.01 0.00 0.00 56.01 56.66 2a8s n LEU 98 Cb 0.14 -0.45 0.75 0.00 -0.11 0.00 0.00 43.42 43.75 2a8s n LEU 98 CO 0.19 -0.22 1.09 0.00 -1.51 0.00 0.00 177.39 176.94 2a8s h ALA 99 N 2.60 1.81 -0.30 -1.18 0.00 -1.50 -1.90 119.26 118.78 2a8s h ALA 99 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a8s h ALA 99 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2a8s h ALA 99 CO 0.00 -0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 2a8s n THR 100 N -4.26 0.40 -4.59 0.00 -2.24 -1.10 -4.88 114.28 97.62 2a8s n THR 100 Ca -0.03 -0.51 -0.29 0.00 -2.27 0.00 0.00 64.05 60.95 2a8s n THR 100 Cb 0.09 0.48 -0.17 0.00 -2.10 0.00 0.00 70.33 68.63 2a8s n THR 100 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2a8s s VAL 101 N -1.60 1.59 -0.30 2.28 1.01 -0.72 -5.10 120.40 117.56 2a8s s VAL 101 Ca 0.33 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2a8s s VAL 101 Cb 0.18 -1.43 0.05 0.00 0.00 0.00 0.00 36.38 35.18 2a8s s VAL 101 CO 0.25 0.46 -0.01 -1.61 0.00 0.00 0.00 175.10 174.20 2a8s s GLU 102 N 0.85 2.44 -0.43 2.72 2.02 -1.26 -4.95 118.70 120.09 2a8s s GLU 102 Ca -0.09 -1.26 -0.18 0.00 0.02 0.00 0.00 54.97 53.46 2a8s s GLU 102 Cb -0.15 -3.17 0.03 0.00 0.10 0.00 0.00 34.13 30.94 2a8s s GLU 102 CO 0.00 -0.61 0.48 0.08 0.02 0.00 0.00 175.26 175.23 2a8s s VAL 103 N 1.25 5.04 0.01 2.63 1.01 -1.26 -5.05 120.40 124.04 2a8s s VAL 103 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2a8s s VAL 103 Cb -0.20 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2a8s s VAL 103 CO -0.01 -0.49 0.01 0.35 0.00 0.00 0.00 175.10 174.96 2a8s n THR 104 N 5.50 0.00 0.14 3.92 -2.24 -1.26 -4.88 114.28 115.45 2a8s n THR 104 Ca -0.07 -0.03 0.04 0.00 -2.27 0.00 0.00 64.05 61.72 2a8s n THR 104 Cb 0.47 -0.68 0.45 0.00 -2.10 0.00 0.00 70.33 68.47 2a8s n THR 104 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2a8s h GLU 105 N 0.00 0.21 0.00 -0.78 5.08 -1.98 -2.37 114.58 114.74 2a8s h GLU 105 Ca -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2a8s h GLU 105 Cb 0.02 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2a8s h GLU 105 CO 0.01 0.29 -0.07 -0.44 -1.00 0.00 0.00 179.01 177.79 2a8s h ASP 106 N 0.21 0.00 0.96 1.42 3.32 -1.99 -2.49 116.42 117.85 2a8s h ASP 106 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2a8s h ASP 106 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2a8s h ASP 106 CO 0.01 0.07 -0.38 0.47 -1.72 0.00 0.00 179.24 177.69 2a8s n ASP 107 N -3.42 0.61 -4.76 6.45 10.43 -0.89 -4.90 116.55 120.07 2a8s n ASP 107 Ca -0.02 0.21 -0.41 0.00 2.57 0.00 0.00 54.79 57.14 2a8s n ASP 107 Cb 0.22 -0.13 -0.01 0.00 1.84 0.00 0.00 41.12 43.04 2a8s n ASP 107 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2a8s n TYR 108 N -1.97 2.92 0.03 1.24 4.19 -0.94 -1.14 117.16 121.49 2a8s n TYR 108 Ca 0.05 0.35 -0.01 0.00 3.31 0.00 0.00 57.90 61.60 2a8s n TYR 108 Cb 0.41 -2.57 -0.00 0.00 0.49 0.00 0.00 39.34 37.67 2a8s n TYR 108 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2a8s n ARG 109 N 1.31 0.02 -3.94 2.98 3.00 0.31 -4.87 116.66 115.48 2a8s n ARG 109 Ca 0.05 0.01 -0.08 0.00 -0.01 0.00 0.00 57.85 57.81 2a8s n ARG 109 Cb 0.38 -0.54 -0.04 0.00 0.00 0.00 0.00 32.46 32.26 2a8s n ARG 109 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2a8s s SER 110 N -5.77 -0.12 -0.02 0.55 1.04 -1.06 -5.00 113.70 103.33 2a8s s SER 110 Ca -0.01 -0.84 -0.02 0.00 0.48 0.00 0.00 55.95 55.56 2a8s s SER 110 Cb 0.00 0.65 0.01 0.00 0.10 0.00 0.00 66.02 66.78 2a8s s SER 110 CO 0.02 -1.25 0.07 -0.44 0.98 0.00 0.00 173.24 172.62 2a8s s SER 111 N -2.99 -0.07 0.05 7.02 0.01 -1.26 -0.62 113.70 115.85 2a8s s SER 111 Ca 0.18 0.13 0.06 0.00 1.31 0.00 0.00 55.95 57.63 2a8s s SER 111 Cb -0.03 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.31 2a8s s SER 111 CO 0.09 -0.03 -0.16 -1.10 0.41 0.00 0.00 173.24 172.45 2a8s s GLN 112 N 0.07 1.07 0.01 12.44 -1.52 -0.64 -2.45 119.66 128.64 2a8s s GLN 112 Ca -0.00 -0.85 0.06 0.00 -1.95 0.00 0.00 55.36 52.62 2a8s s GLN 112 Cb -0.01 -1.13 -0.02 0.00 -0.22 0.00 0.00 33.01 31.64 2a8s s GLN 112 CO -0.00 0.28 -0.20 0.54 -0.25 0.00 0.00 175.29 175.66 2a8s s VAL 113 N -0.88 1.57 0.04 1.09 0.11 0.18 -0.82 120.40 121.69 2a8s s VAL 113 Ca 0.03 -1.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.10 2a8s s VAL 113 Cb -0.08 -1.33 -0.02 0.00 -1.53 0.00 0.00 36.38 33.41 2a8s s VAL 113 CO 0.02 0.31 -0.06 0.00 -3.33 0.00 0.00 175.10 172.04 2a8s s ARG 114 N -0.80 0.49 -0.13 1.54 1.70 -1.26 -1.91 118.95 118.58 2a8s s ARG 114 Ca 0.07 -0.78 0.05 0.00 -0.47 0.00 0.00 55.73 54.60 2a8s s ARG 114 Cb -0.08 -0.15 -0.12 0.00 -0.57 0.00 0.00 34.95 34.03 2a8s s ARG 114 CO 0.00 0.01 -0.05 0.39 -1.08 0.00 0.00 175.30 174.57 2a8s n GLU 115 N 1.33 1.18 -4.98 3.89 4.71 -1.26 -4.00 120.64 121.51 2a8s n GLU 115 Ca -0.22 0.04 -0.32 0.00 -0.01 0.00 0.00 57.16 56.65 2a8s n GLU 115 Cb 0.55 -1.29 -0.15 0.00 -1.01 0.00 0.00 31.44 29.55 2a8s n GLU 115 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2a8s s HIS 116 N -2.28 2.66 0.18 -0.32 3.76 -1.26 -2.69 115.29 115.34 2a8s s HIS 116 Ca -0.13 -0.54 -0.10 0.00 -0.15 0.00 0.00 55.06 54.13 2a8s s HIS 116 Cb 0.04 -1.70 0.09 0.00 1.11 0.00 0.00 32.58 32.12 2a8s s HIS 116 CO 0.39 -0.11 1.70 -1.00 -0.85 0.00 0.00 174.74 174.87 2a8s h PRO 117 N 6.12 1.03 -4.10 8.40 0.13 -2.04 -3.49 132.00 138.04 2a8s h PRO 117 Ca -0.33 -0.25 -0.20 0.00 -0.87 0.00 0.00 66.00 64.35 2a8s h PRO 117 Cb 1.19 -0.13 -0.22 0.00 0.13 0.00 0.00 31.00 31.97 2a8s h PRO 117 CO 0.51 0.93 -0.71 1.14 -0.23 0.00 0.00 178.00 179.64 2a8s s GLN 118 N -5.31 0.34 0.30 0.86 1.03 -1.09 -5.24 119.66 110.56 2a8s s GLN 118 Ca -0.12 -0.60 -0.30 0.00 0.04 0.00 0.00 55.36 54.38 2a8s s GLN 118 Cb 0.14 0.01 -0.12 0.00 0.03 0.00 0.00 33.01 33.07 2a8s s GLN 118 CO 0.83 -0.02 1.53 1.63 -2.54 0.00 0.00 175.29 176.72 2a8s n LYS 119 N 1.68 2.57 -3.64 9.60 5.02 -1.11 -4.28 118.16 128.00 2a8s n LYS 119 Ca -0.23 0.91 -0.06 0.00 -2.02 0.00 0.00 58.31 56.91 2a8s n LYS 119 Cb 0.55 -2.65 -0.07 0.00 -0.02 0.00 0.00 35.03 32.84 2a8s n LYS 119 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2a8s s VAL 121 N -0.28 -0.05 -0.18 -0.18 1.01 0.22 -0.61 120.40 120.33 2a8s s VAL 121 Ca 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 2a8s s VAL 121 Cb -0.52 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 2a8s s VAL 121 CO 0.52 0.00 -0.10 0.42 0.00 0.00 0.00 175.10 175.94 2a8s s THR 122 N 1.65 3.03 -0.08 3.92 -4.23 0.00 -1.01 115.64 118.92 2a8s s THR 122 Ca -0.10 -0.63 -0.05 0.00 -1.18 0.00 0.00 61.69 59.74 2a8s s THR 122 Cb -0.05 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 2a8s s THR 122 CO -0.19 0.48 0.12 -1.00 -0.54 0.00 0.00 174.62 173.49 2a8s s HIS 123 N 1.05 3.49 -0.12 3.99 3.76 0.14 -1.62 115.29 125.98 2a8s s HIS 123 Ca -0.00 0.41 0.03 0.00 -0.15 0.00 0.00 55.06 55.34 2a8s s HIS 123 Cb -0.15 -1.87 0.01 0.00 1.11 0.00 0.00 32.58 31.68 2a8s s HIS 123 CO -0.02 0.66 -0.20 0.12 -0.85 0.00 0.00 174.74 174.46 2a8s s PHE 124 N -1.08 2.35 0.08 1.40 5.99 0.21 -1.50 117.98 125.43 2a8s s PHE 124 Ca 0.18 -1.10 0.07 0.00 0.00 0.00 0.00 56.93 56.08 2a8s s PHE 124 Cb -0.12 -1.62 -0.04 0.00 0.00 0.00 0.00 43.02 41.24 2a8s s PHE 124 CO 0.07 -0.51 -0.16 0.71 -0.00 0.00 0.00 175.22 175.34 2a8s s TYR 125 N 0.77 2.61 -0.06 10.12 1.51 0.14 -0.53 117.35 131.92 2a8s s TYR 125 Ca -0.10 -0.22 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 2a8s s TYR 125 Cb -0.16 -1.43 0.02 0.00 -0.11 0.00 0.00 41.96 40.28 2a8s s TYR 125 CO 0.01 0.34 -0.10 0.42 -1.11 0.00 0.00 175.55 175.11 2a8s s ILE 126 N -1.06 0.93 -0.03 2.71 1.01 -0.29 -0.77 121.20 123.69 2a8s s ILE 126 Ca 0.17 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 2a8s s ILE 126 Cb -0.11 -0.87 0.03 0.00 0.01 0.00 0.00 42.46 41.52 2a8s s ILE 126 CO 0.09 0.31 0.05 -0.75 0.00 0.00 0.00 174.94 174.64 2a8s s LYS 127 N 0.70 -0.06 0.17 2.79 2.20 -0.85 -4.61 119.74 120.09 2a8s s LYS 127 Ca -0.13 0.30 -0.29 0.00 -0.36 0.00 0.00 55.97 55.50 2a8s s LYS 127 Cb -0.15 -0.39 -0.07 0.00 -1.51 0.00 0.00 37.83 35.70 2a8s s LYS 127 CO 0.03 -0.26 0.90 -2.00 -0.36 0.00 0.00 175.35 173.66 2a8s s GLU 128 N 1.71 4.72 0.42 4.03 2.12 -1.26 -2.48 118.70 127.96 2a8s s GLU 128 Ca -0.01 1.38 0.03 0.00 0.36 0.00 0.00 54.97 56.73 2a8s s GLU 128 Cb -0.12 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 2a8s s GLU 128 CO -0.03 0.41 0.06 -0.51 -0.54 0.00 0.00 175.26 174.65 2a8s s LEU 129 N -0.68 2.24 0.33 2.70 1.43 0.33 -4.94 118.68 120.08 2a8s s LEU 129 Ca 0.42 -1.57 -0.18 0.00 -1.03 0.00 0.00 54.13 51.76 2a8s s LEU 129 Cb -0.24 -0.46 -0.09 0.00 0.03 0.00 0.00 46.19 45.43 2a8s s LEU 129 CO 0.29 -0.78 0.81 -0.54 0.23 0.00 0.00 176.35 176.36 2a8s s LYS 130 N -3.80 4.15 0.27 1.70 -0.14 -1.26 -4.40 119.74 116.26 2a8s s LYS 130 Ca 0.22 0.87 -0.01 0.00 -1.36 0.00 0.00 55.97 55.70 2a8s s LYS 130 Cb 0.04 -2.48 0.58 0.00 -1.68 0.00 0.00 37.83 34.29 2a8s s LYS 130 CO 0.12 0.16 1.71 1.25 -0.76 0.00 0.00 175.35 177.83 2a8s h LEU 131 N 2.45 0.26 -1.97 3.17 5.85 -1.92 0.97 115.31 124.12 2a8s h LEU 131 Ca -0.48 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 2a8s h LEU 131 Cb 1.18 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 2a8s h LEU 131 CO 0.64 0.04 -0.02 1.05 -0.34 0.00 0.00 178.44 179.81 2a8s h GLU 132 N 0.40 0.00 -0.20 1.25 -0.00 -1.95 -1.44 114.58 112.64 2a8s h GLU 132 Ca 0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.78 2a8s h GLU 132 Cb 0.82 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.57 2a8s h GLU 132 CO -0.48 0.02 -0.10 0.93 -0.00 0.00 0.00 179.01 179.39 2a8s h GLU 133 N 0.00 0.43 -0.58 1.06 5.08 -1.19 -0.81 114.58 118.56 2a8s h GLU 133 Ca -0.00 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 2a8s h GLU 133 Cb 0.04 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2a8s h GLU 133 CO 0.00 0.71 0.27 0.82 -1.00 0.00 0.00 179.01 179.82 2a8s h ILE 134 N 0.12 1.21 -0.80 3.13 1.08 -1.27 -0.48 117.51 120.51 2a8s h ILE 134 Ca 0.05 -0.61 -0.00 0.00 -0.39 0.00 0.00 64.86 63.90 2a8s h ILE 134 Cb 0.59 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 2a8s h ILE 134 CO 0.03 0.24 0.49 -0.33 -0.69 0.00 0.00 178.15 177.89 2a8s h GLU 135 N 0.79 1.08 -0.14 2.37 5.08 -1.23 -0.63 114.58 121.90 2a8s h GLU 135 Ca 0.20 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.31 2a8s h GLU 135 Cb 0.13 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2a8s h GLU 135 CO -0.02 0.76 -0.58 -0.09 -1.00 0.00 0.00 179.01 178.07 2a8s h ARG 136 N 1.09 0.44 -0.19 2.33 2.43 -0.93 -1.31 114.38 118.25 2a8s h ARG 136 Ca 0.29 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2a8s h ARG 136 Cb -0.05 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2a8s h ARG 136 CO -0.05 0.89 0.09 0.82 -1.51 0.00 0.00 179.97 180.21 2a8s h ILE 137 N 0.33 1.14 -0.59 1.20 2.04 -0.73 -1.58 117.51 119.32 2a8s h ILE 137 Ca -0.00 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.53 2a8s h ILE 137 Cb 1.11 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 2a8s h ILE 137 CO 0.10 0.13 0.29 -0.33 0.00 0.00 0.00 178.15 178.35 2a8s h GLU 138 N 0.17 0.54 -0.83 2.37 5.08 -1.02 -1.23 114.58 119.66 2a8s h GLU 138 Ca 0.06 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2a8s h GLU 138 Cb 0.13 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2a8s h GLU 138 CO -0.01 0.35 0.40 0.00 -1.00 0.00 0.00 179.01 178.76 2a8s h ALA 139 N 1.33 1.07 -0.01 3.43 0.00 -1.01 -3.13 119.26 120.92 2a8s h ALA 139 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2a8s h ALA 139 Cb 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2a8s h ALA 139 CO -0.20 0.63 -0.24 0.39 0.00 0.00 0.00 179.25 179.83 2a8s n GLU 140 N -4.33 1.34 0.29 0.00 1.02 -0.61 -4.20 120.64 114.14 2a8s n GLU 140 Ca 0.08 -0.96 0.15 0.00 -0.02 0.00 0.00 57.16 56.40 2a8s n GLU 140 Cb 0.13 -1.48 0.89 0.00 -0.02 0.00 0.00 31.44 30.96 2a8s n GLU 140 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2a8s h ALA 141 N 4.03 1.49 0.00 0.62 0.00 -1.18 -0.08 119.26 124.14 2a8s h ALA 141 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2a8s h ALA 141 Cb 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2a8s h ALA 141 CO 0.00 0.03 0.00 1.33 0.00 0.00 0.00 179.25 180.61 2a8s n VAL 142 N -3.81 0.57 0.94 0.00 0.24 -1.26 -1.83 118.33 113.18 2a8s n VAL 142 Ca -0.03 0.14 0.10 0.00 -2.04 0.00 0.00 64.34 62.51 2a8s n VAL 142 Cb 0.11 -0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 31.54 2a8s n VAL 142 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2a8s n ASN 143 N -1.31 1.40 -4.66 -1.34 3.02 -0.04 -4.92 115.26 107.41 2a8s n ASN 143 Ca 0.07 -1.20 -0.43 0.00 -0.03 0.00 0.00 54.58 52.99 2a8s n ASN 143 Cb 0.13 0.76 -0.01 0.00 -0.61 0.00 0.00 39.78 40.06 2a8s n ASN 143 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a8s n ALA 144 N -0.82 0.76 -0.34 5.41 0.00 -0.76 -4.83 120.51 119.93 2a8s n ALA 144 Ca 0.06 0.37 0.16 0.00 0.00 0.00 0.00 53.44 54.03 2a8s n ALA 144 Cb 0.37 -2.17 0.37 0.00 0.00 0.00 0.00 19.45 18.02 2a8s n ALA 144 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2a8s h LYS 145 N 2.38 0.62 -0.13 0.00 3.64 -1.79 -2.45 116.57 118.84 2a8s h LYS 145 Ca -0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2a8s h LYS 145 Cb 1.30 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2a8s h LYS 145 CO 0.62 0.41 0.00 -0.25 -2.27 0.00 0.00 179.45 177.96 2a8s n ASP 146 N -4.81 2.01 -4.76 4.20 8.00 -0.72 -4.92 116.55 115.56 2a8s n ASP 146 Ca 0.25 -1.72 -0.41 0.00 0.71 0.00 0.00 54.79 53.63 2a8s n ASP 146 Cb 0.68 -0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.68 2a8s n ASP 146 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2a8s s HIS 147 N -1.84 3.02 0.00 1.24 5.65 -0.92 -1.26 115.29 121.17 2a8s s HIS 147 Ca 0.34 1.24 0.00 0.00 0.25 0.00 0.00 55.06 56.89 2a8s s HIS 147 Cb 0.20 -3.75 0.00 0.00 -1.18 0.00 0.00 32.58 27.84 2a8s s HIS 147 CO 0.30 -2.25 0.00 0.41 -0.65 0.00 0.00 174.74 172.55 2a8s n GLY 148 N 1.40 0.45 0.00 1.59 0.00 0.63 -4.78 105.19 104.49 2a8s n GLY 148 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2a8s n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2a8s n LEU 149 N 0.00 0.00 0.10 0.99 4.77 -0.99 -4.94 117.00 116.93 2a8s n LEU 149 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2a8s n LEU 149 Cb 0.09 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 2a8s n LEU 149 CO 0.00 0.00 0.30 -0.33 -1.33 0.00 0.00 177.39 176.03 2a8s h GLU 150 N 0.00 0.00 -4.96 3.23 5.08 -1.66 -3.38 114.58 112.89 2a8s h GLU 150 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 2a8s h GLU 150 Cb 0.00 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 28.96 2a8s h GLU 150 CO 0.00 0.76 -0.74 0.08 -1.00 0.00 0.00 179.01 178.12 2a8s s VAL 151 N -2.86 3.15 -1.34 3.13 1.01 -0.39 -1.68 120.40 121.42 2a8s s VAL 151 Ca 0.02 -0.69 0.25 0.00 0.00 0.00 0.00 61.98 61.56 2a8s s VAL 151 Cb 0.09 -2.48 0.07 0.00 0.00 0.00 0.00 36.38 34.06 2a8s s VAL 151 CO 0.78 0.35 1.39 0.23 0.00 0.00 0.00 175.10 177.85 2a8s n MET 152 N 4.75 0.38 0.00 2.72 2.81 0.47 -0.26 117.12 127.98 2a8s n MET 152 Ca -0.18 -0.24 0.00 0.00 -1.81 0.00 0.00 57.70 55.47 2a8s n MET 152 Cb 0.50 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 2a8s n MET 152 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2a8s n GLY 153 N 1.44 4.00 3.87 3.03 0.00 -1.21 -4.75 105.19 111.56 2a8s n GLY 153 Ca 0.08 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 2a8s n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a8s s LEU 154 N 0.00 4.15 0.04 0.99 1.43 -1.26 -1.01 118.68 123.02 2a8s s LEU 154 Ca 0.00 1.02 -0.00 0.00 -1.03 0.00 0.00 54.13 54.11 2a8s s LEU 154 Cb 0.00 -3.76 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 2a8s s LEU 154 CO 0.00 -0.10 -0.04 0.27 0.23 0.00 0.00 176.35 176.71 2a8s s ILE 155 N -1.84 0.27 -0.04 -0.59 -4.36 0.99 -4.91 121.20 110.72 2a8s s ILE 155 Ca 0.49 -1.45 -0.02 0.00 -0.26 0.00 0.00 60.65 59.41 2a8s s ILE 155 Cb -0.11 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.54 2a8s s ILE 155 CO 0.20 -0.76 0.09 -0.13 0.24 0.00 0.00 174.94 174.58 2a8s s ARG 156 N -2.85 3.15 -0.32 0.37 0.52 -1.26 -0.87 118.95 117.68 2a8s s ARG 156 Ca -0.02 -0.40 -0.25 0.00 -0.52 0.00 0.00 55.73 54.55 2a8s s ARG 156 Cb -0.00 -2.92 0.01 0.00 0.52 0.00 0.00 34.95 32.55 2a8s s ARG 156 CO -0.05 0.68 0.85 0.08 0.02 0.00 0.00 175.30 176.88 2a8s s VAL 157 N -1.13 4.72 0.10 3.52 1.01 -0.34 -4.95 120.40 123.33 2a8s s VAL 157 Ca 0.20 1.26 -0.31 0.00 0.00 0.00 0.00 61.98 63.14 2a8s s VAL 157 Cb -0.12 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.96 2a8s s VAL 157 CO 0.11 -0.33 1.61 -2.16 0.00 0.00 0.00 175.10 174.32 2a8s s PRO 158 N 3.14 4.21 0.03 2.72 0.04 -1.26 -4.61 135.00 139.27 2a8s s PRO 158 Ca 0.35 2.31 0.23 0.00 0.04 0.00 0.00 61.00 63.93 2a8s s PRO 158 Cb -0.14 -3.46 0.10 0.00 0.04 0.00 0.00 34.50 31.05 2a8s s PRO 158 CO 0.14 -0.68 1.09 1.28 0.04 0.00 0.00 177.00 178.87 2a8s n LEU 159 N 5.05 0.65 -4.98 -3.56 4.77 -1.26 -3.30 117.00 114.38 2a8s n LEU 159 Ca 0.15 -0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 55.82 2a8s n LEU 159 Cb 0.40 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2a8s n LEU 159 CO 0.62 0.10 0.15 -0.72 -1.33 0.00 0.00 177.39 176.21 2a8s s TYR 160 N -3.11 3.16 -0.13 -1.77 -0.85 -1.26 -4.74 117.35 108.64 2a8s s TYR 160 Ca 0.06 -0.04 0.00 0.00 -0.52 0.00 0.00 57.07 56.57 2a8s s TYR 160 Cb 0.15 -2.12 -0.01 0.00 0.38 0.00 0.00 41.96 40.36 2a8s s TYR 160 CO 0.79 -0.15 -0.13 0.99 -1.52 0.00 0.00 175.55 175.52 2a8s s THR 161 N -2.33 3.01 0.82 -3.49 2.01 -1.26 -1.41 115.64 112.99 2a8s s THR 161 Ca 0.46 -0.68 -0.14 0.00 0.31 0.00 0.00 61.69 61.65 2a8s s THR 161 Cb -0.10 -2.26 0.19 0.00 0.01 0.00 0.00 72.50 70.34 2a8s s THR 161 CO 0.34 0.53 1.06 0.18 -0.69 0.00 0.00 174.62 176.04 2a8s n LEU 162 N 3.51 0.00 -0.02 4.42 4.77 -0.37 -4.91 117.00 124.40 2a8s n LEU 162 Ca -0.18 -1.16 -0.03 0.00 -0.03 0.00 0.00 56.01 54.61 2a8s n LEU 162 Cb 0.53 -0.83 0.22 0.00 -2.33 0.00 0.00 43.42 41.01 2a8s n LEU 162 CO 0.31 -1.34 0.82 0.03 -1.33 0.00 0.00 177.39 175.88 2a8s h ARG 163 N 0.00 0.57 0.00 3.23 3.08 -2.00 -1.99 114.38 117.26 2a8s h ARG 163 Ca -0.35 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2a8s h ARG 163 Cb 0.97 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2a8s h ARG 163 CO 0.24 0.68 0.00 -0.40 -1.07 0.00 0.00 179.97 179.42 2a8s n ASP 164 N -4.19 0.00 -0.48 7.04 3.85 -1.26 -4.85 116.55 116.66 2a8s n ASP 164 Ca 0.01 -0.14 -0.06 0.00 -0.71 0.00 0.00 54.79 53.89 2a8s n ASP 164 Cb 0.33 -0.13 -0.03 0.00 -1.35 0.00 0.00 41.12 39.95 2a8s n ASP 164 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2a8s n ARG 165 N -1.13 -1.06 0.05 0.11 1.74 -0.75 -4.75 116.66 110.87 2a8s n ARG 165 Ca 0.07 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 2a8s n ARG 165 Cb 0.06 -4.59 0.00 0.00 -1.02 0.00 0.00 32.46 26.91 2a8s n ARG 165 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2a8s n VAL 166 N -2.51 0.35 -1.57 1.55 0.31 -1.26 -4.88 118.33 110.33 2a8s n VAL 166 Ca -0.06 0.12 -0.43 0.00 -0.01 0.00 0.00 64.34 63.96 2a8s n VAL 166 Cb 0.36 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 2a8s n VAL 166 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2a8s n GLY 167 N 2.45 -0.50 0.00 2.92 0.00 -1.26 -1.83 105.19 106.97 2a8s n GLY 167 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2a8s n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a8s n GLY 168 N 1.33 0.78 0.21 -0.02 0.00 -1.26 -1.24 105.19 105.00 2a8s n GLY 168 Ca 0.10 -1.69 -0.01 0.00 0.00 0.00 0.00 46.02 44.41 2a8s n GLY 168 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2a8s h LEU 169 N 0.00 -0.30 -0.43 0.99 5.85 -1.22 -1.31 115.31 118.88 2a8s h LEU 169 Ca 0.00 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.92 2a8s h LEU 169 Cb 0.00 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 2a8s h LEU 169 CO 0.00 -0.11 0.12 -0.65 -0.34 0.00 0.00 178.44 177.46 2a8s h PRO 170 N 0.09 0.26 -0.52 5.25 0.11 -1.81 -1.30 132.00 134.08 2a8s h PRO 170 Ca 0.27 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.28 2a8s h PRO 170 Cb 0.43 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 2a8s h PRO 170 CO -0.48 0.17 -0.04 0.00 -0.21 0.00 0.00 178.00 177.44 2a8s h ALA 171 N 1.31 0.94 -0.91 -0.75 0.00 -0.96 -2.64 119.26 116.25 2a8s h ALA 171 Ca 0.21 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.89 2a8s h ALA 171 Cb 0.23 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2a8s h ALA 171 CO -0.24 0.63 0.59 0.35 0.00 0.00 0.00 179.25 180.58 2a8s h PHE 172 N 0.84 1.03 0.00 0.00 3.04 -0.53 -3.33 116.94 117.98 2a8s h PHE 172 Ca 0.15 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.96 2a8s h PHE 172 Cb 0.55 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 2a8s h PHE 172 CO 0.03 0.51 0.95 1.28 -2.02 0.00 0.00 178.31 179.06 2a8s n LEU 173 N -4.51 2.97 -0.87 0.59 4.77 -0.56 -4.85 117.00 114.54 2a8s n LEU 173 Ca 0.15 -2.02 0.08 0.00 -0.03 0.00 0.00 56.01 54.19 2a8s n LEU 173 Cb 0.25 -0.77 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 2a8s n LEU 173 CO 0.32 0.39 -0.19 0.59 -1.33 0.00 0.00 177.39 177.17 2a8s n ASN 175 N 3.40 -3.88 -4.52 -1.43 3.02 -1.25 -5.01 115.26 105.58 2a8s n ASN 175 Ca 0.26 0.42 -0.43 0.00 -0.03 0.00 0.00 54.58 54.80 2a8s n ASN 175 Cb 0.29 -2.79 -0.07 0.00 -0.61 0.00 0.00 39.78 36.60 2a8s n ASN 175 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2a8s s ASN 176 N -4.64 6.30 0.03 6.41 3.84 -1.26 -5.02 114.94 120.60 2a8s s ASN 176 Ca 0.00 -0.31 0.02 0.00 0.21 0.00 0.00 52.86 52.77 2a8s s ASN 176 Cb 0.00 -2.29 -0.04 0.00 -0.55 0.00 0.00 41.25 38.38 2a8s s ASN 176 CO 0.00 -0.65 0.03 -0.36 -2.79 0.00 0.00 177.10 173.33 2a8s s PHE 177 N 2.56 3.13 0.21 0.43 0.40 -1.26 -0.78 117.98 122.67 2a8s s PHE 177 Ca 0.19 0.09 -0.27 0.00 -0.60 0.00 0.00 56.93 56.35 2a8s s PHE 177 Cb -0.15 -1.66 -0.09 0.00 0.51 0.00 0.00 43.02 41.64 2a8s s PHE 177 CO 0.16 0.50 0.85 -1.50 0.70 0.00 0.00 175.22 175.93 2a8s s ILE 178 N -1.20 4.25 0.00 0.64 1.10 -0.70 -4.88 121.20 120.41 2a8s s ILE 178 Ca 0.23 1.83 0.00 0.00 -0.51 0.00 0.00 60.65 62.20 2a8s s ILE 178 Cb -0.12 -4.18 0.00 0.00 0.15 0.00 0.00 42.46 38.32 2a8s s ILE 178 CO 0.14 0.45 0.00 0.61 -2.11 0.00 0.00 174.94 174.04 2a8s n GLY 179 N 1.38 2.76 2.11 1.50 0.00 -1.26 -0.80 105.19 110.87 2a8s n GLY 179 Ca -0.03 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 2a8s n GLY 179 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2a8s n ASN 180 N 2.48 6.05 -0.11 1.61 6.94 -1.26 -4.66 115.26 126.30 2a8s n ASN 180 Ca 0.00 -3.77 -0.06 0.00 -0.02 0.00 0.00 54.58 50.73 2a8s n ASN 180 Cb 0.00 -0.74 0.11 0.00 -2.36 0.00 0.00 39.78 36.80 2a8s n ASN 180 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2a8s h SER 181 N 1.89 0.81 -0.49 0.53 4.64 -1.31 -1.26 113.55 118.36 2a8s h SER 181 Ca 0.50 -0.24 0.05 0.00 -0.47 0.00 0.00 61.79 61.63 2a8s h SER 181 Cb 1.27 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 63.09 2a8s h SER 181 CO 1.18 0.93 0.22 0.50 -0.87 0.00 0.00 176.83 178.80 2a8s h LYS 182 N 0.75 0.43 -0.60 4.77 3.64 -1.83 -0.85 116.57 122.88 2a8s h LYS 182 Ca 0.13 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 2a8s h LYS 182 Cb 0.59 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 2a8s h LYS 182 CO 0.04 0.28 0.10 1.03 -2.27 0.00 0.00 179.45 178.63 2a8s h SER 183 N 0.44 0.92 -1.00 4.20 0.87 -1.86 -0.99 113.55 116.14 2a8s h SER 183 Ca 0.22 -0.21 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2a8s h SER 183 Cb 0.17 -0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 61.83 2a8s h SER 183 CO -0.18 0.93 0.66 1.56 -0.53 0.00 0.00 176.83 179.26 2a8s h GLN 184 N 0.92 1.29 -0.23 2.24 4.20 -0.76 -0.97 115.11 121.80 2a8s h GLN 184 Ca 0.19 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 2a8s h GLN 184 Cb 0.40 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2a8s h GLN 184 CO 0.01 0.85 0.05 1.25 -0.67 0.00 0.00 178.83 180.32 2a8s h LEU 185 N 1.33 0.36 -0.99 1.46 5.85 -0.52 -1.24 115.31 121.56 2a8s h LEU 185 Ca 0.37 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2a8s h LEU 185 Cb -0.12 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 2a8s h LEU 185 CO -0.09 0.50 0.65 -0.07 -0.34 0.00 0.00 178.44 179.10 2a8s h LEU 186 N 0.19 1.13 -0.30 2.25 3.38 -1.04 -0.99 115.31 119.94 2a8s h LEU 186 Ca 0.07 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2a8s h LEU 186 Cb 0.29 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2a8s h LEU 186 CO 0.00 0.82 0.09 0.22 0.09 0.00 0.00 178.44 179.66 2a8s h TYR 187 N 1.33 0.17 -1.00 1.13 5.03 -0.95 -2.36 116.97 120.33 2a8s h TYR 187 Ca 0.36 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.70 2a8s h TYR 187 Cb -0.15 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.04 2a8s h TYR 187 CO -0.00 0.07 0.66 0.00 -1.32 0.00 0.00 178.16 177.57 2a8s h ALA 188 N 1.19 1.28 -0.18 1.82 0.00 -0.41 0.14 119.26 123.11 2a8s h ALA 188 Ca 0.13 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2a8s h ALA 188 Cb 0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2a8s h ALA 188 CO -0.14 0.62 0.10 -0.07 0.00 0.00 0.00 179.25 179.75 2a8s h LEU 189 N 1.33 0.22 0.53 0.00 3.38 -0.93 0.99 115.31 120.83 2a8s h LEU 189 Ca 0.37 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2a8s h LEU 189 Cb -0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2a8s h LEU 189 CO -0.09 0.25 -0.38 0.03 0.09 0.00 0.00 178.44 178.33 2a8s h ARG 190 N 0.18 -0.84 -0.87 1.13 -0.00 -1.24 -1.55 114.38 111.20 2a8s h ARG 190 Ca 0.06 0.06 0.19 0.00 -0.50 0.00 0.00 59.98 59.79 2a8s h ARG 190 Cb 0.07 0.19 -0.11 0.00 0.00 0.00 0.00 29.97 30.12 2a8s h ARG 190 CO -0.01 -0.56 0.40 1.03 0.00 0.00 0.00 179.97 180.83 2a8s h SER 191 N -0.87 0.38 -0.05 7.04 0.87 -0.54 0.22 113.55 120.60 2a8s h SER 191 Ca -0.07 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2a8s h SER 191 Cb 0.72 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2a8s h SER 191 CO 0.04 0.07 0.00 0.18 -0.53 0.00 0.00 176.83 176.59 2a8s n LEU 192 N -4.99 0.43 -2.27 2.23 4.77 0.33 -4.89 117.00 112.60 2a8s n LEU 192 Ca 0.20 -0.18 -0.18 0.00 -0.03 0.00 0.00 56.01 55.82 2a8s n LEU 192 Cb 0.57 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2a8s n LEU 192 CO 0.16 0.09 -0.09 0.29 -1.33 0.00 0.00 177.39 176.51 2a8s n LYS 193 N -0.47 -2.91 0.09 3.23 4.76 0.78 -4.91 118.16 118.73 2a8s n LYS 193 Ca 0.13 0.78 -0.23 0.00 -2.87 0.00 0.00 58.31 56.12 2a8s n LYS 193 Cb 0.12 -5.27 -0.15 0.00 -1.84 0.00 0.00 35.03 27.89 2a8s n LYS 193 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2a8s h LEU 194 N -0.67 0.67 -7.82 -0.35 3.38 -1.45 -3.47 115.31 105.60 2a8s h LEU 194 Ca -0.42 -0.94 -0.25 0.00 0.09 0.00 0.00 57.88 56.36 2a8s h LEU 194 Cb 1.30 -0.22 -0.27 0.00 0.09 0.00 0.00 40.66 41.56 2a8s h LEU 194 CO 0.47 1.78 -0.73 -0.76 0.09 0.00 0.00 178.44 179.29 2a8s s LEU 195 N -7.37 2.04 0.83 1.67 1.43 -1.18 -5.06 118.68 111.04 2a8s s LEU 195 Ca -0.15 -0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 2a8s s LEU 195 Cb 0.05 -0.06 0.09 0.00 0.03 0.00 0.00 46.19 46.30 2a8s s LEU 195 CO 0.87 -0.03 1.10 -0.13 0.23 0.00 0.00 176.35 178.39 2a8s s ARG 196 N -0.27 1.80 0.32 1.70 0.52 -1.26 -4.39 118.95 117.35 2a8s s ARG 196 Ca -0.02 1.16 0.01 0.00 -0.52 0.00 0.00 55.73 56.36 2a8s s ARG 196 Cb -0.02 -1.84 0.55 0.00 0.52 0.00 0.00 34.95 34.16 2a8s s ARG 196 CO -0.00 -1.96 1.94 1.49 0.02 0.00 0.00 175.30 176.79 2a8s h GLU 197 N -1.36 0.96 -0.70 3.54 4.57 -1.99 -1.10 114.58 118.50 2a8s h GLU 197 Ca -0.45 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 57.62 2a8s h GLU 197 Cb 1.25 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 2a8s h GLU 197 CO 0.50 0.64 0.24 0.38 -1.18 0.00 0.00 179.01 179.59 2a8s h ASP 198 N 0.99 1.00 -0.15 1.04 3.04 -2.00 -2.55 116.42 117.80 2a8s h ASP 198 Ca 0.34 -0.20 -0.08 0.00 -3.24 0.00 0.00 57.03 53.85 2a8s h ASP 198 Cb 0.09 -0.26 -0.02 0.00 -1.04 0.00 0.00 39.33 38.10 2a8s h ASP 198 CO -0.11 0.93 -0.16 1.56 -2.04 0.00 0.00 179.24 179.42 2a8s h GLN 199 N 1.02 0.54 -0.37 4.15 4.20 -1.68 0.17 115.11 123.13 2a8s h GLN 199 Ca 0.23 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 2a8s h GLN 199 Cb 0.28 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2a8s h GLN 199 CO -0.01 0.69 0.03 0.82 -0.67 0.00 0.00 178.83 179.69 2a8s h ILE 200 N 0.49 1.25 -0.83 2.54 2.04 -1.16 0.12 117.51 121.96 2a8s h ILE 200 Ca 0.08 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 2a8s h ILE 200 Cb 0.57 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 2a8s h ILE 200 CO 0.04 0.31 0.37 1.56 0.00 0.00 0.00 178.15 180.42 2a8s h GLN 201 N 0.46 1.22 0.76 2.37 1.08 -1.19 -0.57 115.11 119.24 2a8s h GLN 201 Ca 0.11 -0.20 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 2a8s h GLN 201 Cb 0.41 -0.21 0.01 0.00 -0.05 0.00 0.00 27.48 27.64 2a8s h GLN 201 CO 0.01 0.96 -0.37 1.49 -0.95 0.00 0.00 178.83 179.97 2a8s h GLU 202 N 1.20 -0.99 -0.98 1.46 4.57 -0.73 -1.05 114.58 118.05 2a8s h GLU 202 Ca 0.28 0.07 0.17 0.00 -1.18 0.00 0.00 59.36 58.70 2a8s h GLU 202 Cb 0.17 0.22 -0.09 0.00 -0.16 0.00 0.00 28.75 28.89 2a8s h GLU 202 CO -0.03 -0.66 0.61 0.28 -1.18 0.00 0.00 179.01 178.04 2a8s h VAL 203 N -1.03 0.76 -0.23 0.32 2.07 -0.64 -1.96 116.25 115.54 2a8s h VAL 203 Ca -0.10 -0.26 -0.15 0.00 0.82 0.00 0.00 66.70 67.01 2a8s h VAL 203 Cb 0.79 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2a8s h VAL 203 CO 0.17 0.14 -0.46 -0.07 0.02 0.00 0.00 177.57 177.37 2a8s h LEU 204 N 0.76 0.65 0.22 2.57 3.38 -0.83 -3.07 115.31 118.98 2a8s h LEU 204 Ca 0.54 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2a8s h LEU 204 Cb 0.83 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2a8s h LEU 204 CO -0.31 1.01 -0.10 0.11 0.09 0.00 0.00 178.44 179.23 2a8s h LYS 205 N 0.48 -0.28 0.00 1.13 1.57 -0.44 -2.86 116.57 116.17 2a8s h LYS 205 Ca 0.03 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2a8s h LYS 205 Cb 0.99 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2a8s h LYS 205 CO 0.09 -0.04 0.09 0.00 -0.57 0.00 0.00 179.45 179.02 2a8s h ALA 206 N 0.23 1.07 0.04 3.86 0.00 -1.48 -2.58 119.26 120.39 2a8s h ALA 206 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2a8s h ALA 206 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2a8s h ALA 206 CO 0.05 -0.07 -0.02 0.77 0.00 0.00 0.00 179.25 179.98 2a8s h SER 207 N 0.00 -0.04 -0.00 0.00 0.02 -1.41 -3.46 113.55 108.65 2a8s h SER 207 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2a8s h SER 207 Cb 0.18 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2a8s h SER 207 CO 0.00 0.46 0.00 1.41 -1.14 0.00 0.00 176.83 177.56