#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a8t s ARG 19 N 0.00 1.17 0.30 -0.52 3.52 0.16 -4.91 118.95 118.68 2a8t s ARG 19 Ca 0.00 -0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 54.82 2a8t s ARG 19 Cb 0.00 -1.11 -0.10 0.00 -1.56 0.00 0.00 34.95 32.18 2a8t s ARG 19 CO 0.00 0.27 1.30 -0.80 -0.81 0.00 0.00 175.30 175.27 2a8t s ASN 20 N -0.24 6.81 -0.01 -2.12 0.02 -1.26 0.85 114.94 119.00 2a8t s ASN 20 Ca 0.04 2.62 -0.11 0.00 -1.02 0.00 0.00 52.86 54.38 2a8t s ASN 20 Cb -0.06 -2.64 0.01 0.00 0.02 0.00 0.00 41.25 38.58 2a8t s ASN 20 CO -0.00 -0.52 0.24 -0.51 0.02 0.00 0.00 177.10 176.32 2a8t s ILE 21 N -0.86 0.07 0.60 0.60 2.07 -0.79 -4.80 121.20 118.08 2a8t s ILE 21 Ca 0.51 -0.55 -0.15 0.00 -1.41 0.00 0.00 60.65 59.05 2a8t s ILE 21 Cb -0.39 -0.53 -0.03 0.00 0.13 0.00 0.00 42.46 41.64 2a8t s ILE 21 CO 0.49 -0.30 1.05 -0.94 -1.91 0.00 0.00 174.94 173.33 2a8t s SER 22 N -1.29 5.80 0.13 4.50 1.04 -1.26 -3.84 113.70 118.78 2a8t s SER 22 Ca -0.13 1.77 -0.21 0.00 0.48 0.00 0.00 55.95 57.86 2a8t s SER 22 Cb -0.06 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 2a8t s SER 22 CO 0.03 -1.15 1.70 -0.09 0.98 0.00 0.00 173.24 174.71 2a8t h ARG 23 N 0.34 -0.05 -0.71 4.02 2.43 -1.96 -0.98 114.38 117.46 2a8t h ARG 23 Ca -0.46 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 2a8t h ARG 23 Cb 1.22 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 2a8t h ARG 23 CO 0.58 -0.03 0.31 1.49 -1.51 0.00 0.00 179.97 180.80 2a8t h GLU 24 N -0.05 1.04 -0.16 0.20 4.81 -1.98 -1.14 114.58 117.30 2a8t h GLU 24 Ca 0.09 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 2a8t h GLU 24 Cb 0.18 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2a8t h GLU 24 CO -0.20 0.83 -0.11 1.49 -0.73 0.00 0.00 179.01 180.28 2a8t h GLU 25 N 1.02 0.36 -0.33 1.92 4.81 -1.91 -2.87 114.58 117.59 2a8t h GLU 25 Ca 0.24 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2a8t h GLU 25 Cb 0.16 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2a8t h GLU 25 CO -0.03 0.71 0.13 0.66 -0.73 0.00 0.00 179.01 179.75 2a8t h SER 26 N 0.02 0.42 1.26 1.04 4.64 -0.88 -2.24 113.55 117.81 2a8t h SER 26 Ca 0.03 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2a8t h SER 26 Cb 0.62 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2a8t h SER 26 CO 0.03 0.38 0.00 0.18 -0.87 0.00 0.00 176.83 176.56 2a8t n LEU 27 N -4.40 0.67 0.01 5.97 4.77 -0.46 -2.80 117.00 120.76 2a8t n LEU 27 Ca 0.02 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.70 2a8t n LEU 27 Cb 0.14 -0.39 0.30 0.00 -2.33 0.00 0.00 43.42 41.13 2a8t n LEU 27 CO 0.36 -0.23 0.52 0.00 -1.33 0.00 0.00 177.39 176.72 2a8t n GLN 28 N -2.15 0.04 -2.07 3.23 6.02 -0.85 -4.95 117.38 116.65 2a8t n GLN 28 Ca 0.05 0.01 -0.35 0.00 -0.01 0.00 0.00 57.00 56.71 2a8t n GLN 28 Cb 0.38 -1.53 0.02 0.00 1.02 0.00 0.00 30.24 30.13 2a8t n GLN 28 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2a8t s LEU 29 N -3.17 3.63 0.03 1.08 1.43 -1.12 -5.06 118.68 115.51 2a8t s LEU 29 Ca 0.11 2.17 0.06 0.00 -1.03 0.00 0.00 54.13 55.44 2a8t s LEU 29 Cb 0.17 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.78 2a8t s LEU 29 CO 0.68 -1.41 -0.14 -1.61 0.23 0.00 0.00 176.35 174.10 2a8t s GLU 30 N -3.51 2.22 -0.92 1.70 0.41 -1.26 -4.70 118.70 112.63 2a8t s GLU 30 Ca 0.72 -0.91 0.00 0.00 -0.41 0.00 0.00 54.97 54.37 2a8t s GLU 30 Cb -0.24 -2.28 0.00 0.00 -1.78 0.00 0.00 34.13 29.82 2a8t s GLU 30 CO 0.32 0.56 0.00 0.41 -0.49 0.00 0.00 175.26 176.06 2a8t n GLY 31 N 1.51 1.03 3.82 -1.39 0.00 -1.26 -5.02 105.19 103.89 2a8t n GLY 31 Ca -0.16 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 2a8t n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a8t s TYR 32 N -2.25 3.45 0.14 1.61 1.51 -1.26 -4.82 117.35 115.73 2a8t s TYR 32 Ca 0.00 0.38 -0.18 0.00 -1.01 0.00 0.00 57.07 56.26 2a8t s TYR 32 Cb 0.00 -1.86 -0.07 0.00 -0.11 0.00 0.00 41.96 39.92 2a8t s TYR 32 CO 0.00 0.64 0.62 0.21 -1.11 0.00 0.00 175.55 175.91 2a8t s LYS 33 N -1.21 4.18 0.08 -0.62 2.20 -0.23 -4.93 119.74 119.21 2a8t s LYS 33 Ca 0.17 0.73 0.08 0.00 -0.36 0.00 0.00 55.97 56.60 2a8t s LYS 33 Cb -0.12 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 2a8t s LYS 33 CO 0.07 0.52 -0.20 -1.01 -0.36 0.00 0.00 175.35 174.37 2a8t s HIS 34 N -1.33 2.49 0.01 4.03 3.76 -1.26 -0.22 115.29 122.78 2a8t s HIS 34 Ca 0.36 -0.29 -0.00 0.00 -0.15 0.00 0.00 55.06 54.97 2a8t s HIS 34 Cb -0.18 -1.39 -0.01 0.00 1.11 0.00 0.00 32.58 32.11 2a8t s HIS 34 CO 0.20 0.29 -0.01 0.00 -0.85 0.00 0.00 174.74 174.37 2a8t s ALA 35 N -1.00 0.05 -0.03 -1.40 0.00 -0.57 -1.02 121.76 117.79 2a8t s ALA 35 Ca 0.15 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 51.93 2a8t s ALA 35 Cb -0.10 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 2a8t s ALA 35 CO 0.06 -0.07 -0.25 0.00 0.00 0.00 0.00 175.76 175.50 2a8t s HIS 37 N -0.46 0.40 -0.01 0.00 3.76 -0.44 0.21 115.29 118.75 2a8t s HIS 37 Ca 0.05 -0.43 0.03 0.00 -0.15 0.00 0.00 55.06 54.57 2a8t s HIS 37 Cb -0.11 -0.26 -0.01 0.00 1.11 0.00 0.00 32.58 33.31 2a8t s HIS 37 CO 0.01 -0.12 -0.11 0.00 -0.85 0.00 0.00 174.74 173.67 2a8t s ALA 38 N -1.16 0.98 -0.36 -1.40 0.00 -0.27 -0.97 121.76 118.57 2a8t s ALA 38 Ca -0.11 -0.48 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 2a8t s ALA 38 Cb -0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 2a8t s ALA 38 CO -0.00 0.22 0.29 -1.17 0.00 0.00 0.00 175.76 175.10 2a8t s LEU 39 N -0.17 4.68 -0.12 0.00 2.96 0.08 -3.88 118.68 122.22 2a8t s LEU 39 Ca 0.03 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.31 2a8t s LEU 39 Cb -0.06 -2.20 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 2a8t s LEU 39 CO -0.00 -0.33 0.22 -0.76 -1.32 0.00 0.00 176.35 174.15 2a8t s LEU 40 N 1.80 4.34 0.03 -0.68 1.43 -1.26 -1.21 118.68 123.13 2a8t s LEU 40 Ca 0.07 0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 53.52 2a8t s LEU 40 Cb -0.18 -2.23 0.03 0.00 0.03 0.00 0.00 46.19 43.85 2a8t s LEU 40 CO 0.11 0.28 0.38 -1.38 0.23 0.00 0.00 176.35 175.97 2a8t s HIS 41 N -0.44 -0.23 0.00 0.29 -3.43 -0.95 -1.90 115.29 108.63 2a8t s HIS 41 Ca 0.15 0.21 -0.10 0.00 -0.80 0.00 0.00 55.06 54.53 2a8t s HIS 41 Cb -0.13 0.18 0.01 0.00 -1.43 0.00 0.00 32.58 31.21 2a8t s HIS 41 CO 0.04 -0.53 0.19 0.00 -2.00 0.00 0.00 174.74 172.44 2a8t s ALA 42 N -2.26 -0.45 0.49 -1.38 0.00 -0.58 0.33 121.76 117.91 2a8t s ALA 42 Ca -0.07 -0.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.66 2a8t s ALA 42 Cb -0.01 0.12 -0.08 0.00 0.00 0.00 0.00 23.12 23.15 2a8t s ALA 42 CO -0.01 -0.24 1.07 -1.25 0.00 0.00 0.00 175.76 175.33 2a8t s PRO 43 N -1.50 3.71 -0.01 0.00 0.04 -1.26 0.30 135.00 136.27 2a8t s PRO 43 Ca -0.13 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.41 2a8t s PRO 43 Cb -0.06 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 2a8t s PRO 43 CO 0.02 -0.53 -0.10 0.45 0.04 0.00 0.00 177.00 176.88 2a8t s SER 44 N -1.84 1.23 0.00 6.66 0.15 -0.17 -4.53 113.70 115.21 2a8t s SER 44 Ca 0.68 -0.19 0.27 0.00 0.70 0.00 0.00 55.95 57.41 2a8t s SER 44 Cb -0.20 -0.20 1.08 0.00 -1.71 0.00 0.00 66.02 64.99 2a8t s SER 44 CO 0.24 0.11 1.76 0.00 1.20 0.00 0.00 173.24 176.54 2a8t n GLN 45 N 2.98 1.61 -2.03 5.44 1.13 -1.26 -3.77 117.38 121.48 2a8t n GLN 45 Ca -0.15 -0.90 -0.34 0.00 -1.94 0.00 0.00 57.00 53.67 2a8t n GLN 45 Cb 0.56 -1.47 0.02 0.00 0.11 0.00 0.00 30.24 29.46 2a8t n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2a8t s ALA 46 N -1.97 2.59 -0.12 -1.58 0.00 -1.26 -4.90 121.76 114.52 2a8t s ALA 46 Ca 0.38 0.70 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 2a8t s ALA 46 Cb 0.21 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 20.02 2a8t s ALA 46 CO 0.33 -1.00 -0.02 0.15 0.00 0.00 0.00 175.76 175.22 2a8t s LYS 47 N -3.64 0.98 0.20 0.00 1.02 -1.26 -0.71 119.74 116.33 2a8t s LYS 47 Ca 0.70 -0.16 -0.31 0.00 0.02 0.00 0.00 55.97 56.21 2a8t s LYS 47 Cb -0.22 -1.47 -0.11 0.00 -0.52 0.00 0.00 37.83 35.51 2a8t s LYS 47 CO 0.33 -0.36 1.63 -1.17 -0.92 0.00 0.00 175.35 174.86 2a8t s LEU 48 N 1.83 4.37 -1.42 3.17 2.96 0.23 -1.31 118.68 128.51 2a8t s LEU 48 Ca 0.03 2.77 -0.01 0.00 -0.22 0.00 0.00 54.13 56.71 2a8t s LEU 48 Cb -0.13 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.96 2a8t s LEU 48 CO -0.07 -0.89 0.07 0.49 -1.32 0.00 0.00 176.35 174.63 2a8t n PHE 49 N 3.67 -1.30 -0.98 5.38 0.99 -1.26 -0.67 117.46 123.29 2a8t n PHE 49 Ca 0.14 0.06 -0.03 0.00 -0.00 0.00 0.00 57.45 57.62 2a8t n PHE 49 Cb 0.37 -3.42 -0.01 0.00 -1.00 0.00 0.00 39.48 35.42 2a8t n PHE 49 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 2a8t n ASP 50 N -1.97 -5.19 0.00 4.37 9.92 -0.43 -4.66 116.55 118.59 2a8t n ASP 50 Ca -0.18 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 2a8t n ASP 50 Cb 0.64 -3.32 0.00 0.00 -0.64 0.00 0.00 41.12 37.80 2a8t n ASP 50 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2a8t n ARG 51 N 0.38 0.82 -3.34 -1.24 1.74 -0.76 -4.95 116.66 109.31 2a8t n ARG 51 Ca -0.03 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.60 2a8t n ARG 51 Cb 0.46 -0.65 -0.07 0.00 -1.02 0.00 0.00 32.46 31.19 2a8t n ARG 51 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2a8t s VAL 52 N -1.30 5.19 0.20 1.55 1.01 0.15 -4.89 120.40 122.30 2a8t s VAL 52 Ca 0.00 -1.11 -0.32 0.00 0.00 0.00 0.00 61.98 60.55 2a8t s VAL 52 Cb 0.00 -4.20 -0.11 0.00 0.00 0.00 0.00 36.38 32.06 2a8t s VAL 52 CO 0.00 -0.68 1.68 -2.84 0.00 0.00 0.00 175.10 173.26 2a8t s PRO 53 N 1.75 4.15 0.22 2.72 0.02 -1.26 0.75 135.00 143.35 2a8t s PRO 53 Ca 0.05 2.54 -0.07 0.00 0.02 0.00 0.00 61.00 63.55 2a8t s PRO 53 Cb -0.25 -3.09 0.18 0.00 0.02 0.00 0.00 34.50 31.36 2a8t s PRO 53 CO 0.06 -0.71 1.74 0.82 -0.33 0.00 0.00 177.00 178.59 2a8t h ILE 54 N 3.85 1.26 0.00 2.83 1.08 -1.21 -3.44 117.51 121.87 2a8t h ILE 54 Ca -0.43 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.10 2a8t h ILE 54 Cb 1.20 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 2a8t h ILE 54 CO 0.94 0.36 0.00 0.54 -0.69 0.00 0.00 178.15 179.30 2a8t n ARG 55 N -4.24 0.00 -3.68 2.37 1.74 -1.25 -4.64 116.66 106.96 2a8t n ARG 55 Ca 0.05 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.99 2a8t n ARG 55 Cb 0.25 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.61 2a8t n ARG 55 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2a8t s ARG 56 N 0.00 0.68 -0.26 5.56 3.52 -1.26 -0.99 118.95 126.20 2a8t s ARG 56 Ca 0.00 0.72 -0.19 0.00 -0.13 0.00 0.00 55.73 56.13 2a8t s ARG 56 Cb 0.00 0.33 -0.02 0.00 -1.56 0.00 0.00 34.95 33.70 2a8t s ARG 56 CO 0.00 -0.10 0.59 0.08 -0.81 0.00 0.00 175.30 175.06 2a8t s VAL 57 N 0.16 5.01 -0.18 7.11 1.01 0.15 -4.86 120.40 128.80 2a8t s VAL 57 Ca -0.01 1.03 -0.00 0.00 0.00 0.00 0.00 61.98 63.00 2a8t s VAL 57 Cb -0.04 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2a8t s VAL 57 CO 0.01 0.04 -0.15 -0.76 0.00 0.00 0.00 175.10 174.24 2a8t s LEU 58 N 2.44 2.39 -0.17 3.92 1.02 -1.26 -1.52 118.68 125.49 2a8t s LEU 58 Ca 0.24 -0.54 -0.19 0.00 0.02 0.00 0.00 54.13 53.66 2a8t s LEU 58 Cb -0.16 -1.56 -0.03 0.00 0.02 0.00 0.00 46.19 44.47 2a8t s LEU 58 CO 0.09 0.02 0.54 -0.76 0.02 0.00 0.00 176.35 176.27 2a8t s LEU 59 N 1.17 4.19 0.00 1.79 1.43 -0.80 -1.07 118.68 125.39 2a8t s LEU 59 Ca 0.01 0.79 0.02 0.00 -1.03 0.00 0.00 54.13 53.92 2a8t s LEU 59 Cb -0.14 -2.77 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 2a8t s LEU 59 CO -0.06 -0.15 0.09 0.23 0.23 0.00 0.00 176.35 176.69 2a8t n MET 60 N 4.46 0.75 -4.00 1.70 2.81 -0.39 -4.50 117.12 117.95 2a8t n MET 60 Ca -0.04 -2.78 -0.08 0.00 -1.81 0.00 0.00 57.70 52.98 2a8t n MET 60 Cb 0.51 1.32 -0.10 0.00 -0.71 0.00 0.00 33.22 34.23 2a8t n MET 60 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2a8t s MET 61 N -3.28 0.49 -0.05 0.03 0.23 0.61 -0.76 119.30 116.57 2a8t s MET 61 Ca 0.12 -0.84 -0.27 0.00 -1.03 0.00 0.00 55.69 53.67 2a8t s MET 61 Cb 0.01 0.18 -0.03 0.00 -1.53 0.00 0.00 34.83 33.45 2a8t s MET 61 CO 0.09 -0.10 0.88 1.41 -2.03 0.00 0.00 175.02 175.27 2a8t s MET 62 N -2.57 4.49 0.45 3.16 -2.45 -0.05 -0.99 119.30 121.34 2a8t s MET 62 Ca -0.06 1.21 0.02 0.00 -1.25 0.00 0.00 55.69 55.61 2a8t s MET 62 Cb -0.02 -3.47 0.00 0.00 1.25 0.00 0.00 34.83 32.59 2a8t s MET 62 CO -0.05 -0.06 0.65 1.03 1.05 0.00 0.00 175.02 177.64 2a8t s ARG 63 N 1.13 2.97 0.55 4.11 0.52 -0.19 -0.85 118.95 127.20 2a8t s ARG 63 Ca 0.46 -0.67 0.29 0.00 -0.52 0.00 0.00 55.73 55.29 2a8t s ARG 63 Cb -0.19 -2.60 1.46 0.00 0.52 0.00 0.00 34.95 34.14 2a8t s ARG 63 CO 0.23 -0.29 1.91 0.27 0.02 0.00 0.00 175.30 177.44 2a8t h PHE 64 N 0.44 0.00 -0.13 -0.53 -0.00 -1.16 -1.86 116.94 113.71 2a8t h PHE 64 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.52 2a8t h PHE 64 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.21 2a8t h PHE 64 CO 0.43 0.00 0.00 -0.40 -0.00 0.00 0.00 178.31 178.34 2a8t n ASP 65 N -4.09 1.55 0.00 -0.68 5.68 -1.26 -4.91 116.55 112.84 2a8t n ASP 65 Ca 0.13 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.78 2a8t n ASP 65 Cb 0.79 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 2a8t n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a8t n GLY 66 N 1.13 0.58 3.55 6.12 0.00 -0.70 -5.05 105.19 110.83 2a8t n GLY 66 Ca 0.17 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 2a8t n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a8t s ARG 67 N -0.52 2.00 0.42 1.61 0.52 -1.26 -4.85 118.95 116.88 2a8t s ARG 67 Ca 0.00 -1.25 -0.20 0.00 -0.52 0.00 0.00 55.73 53.76 2a8t s ARG 67 Cb 0.00 -2.15 -0.11 0.00 0.52 0.00 0.00 34.95 33.21 2a8t s ARG 67 CO 0.00 0.45 0.93 -0.51 0.02 0.00 0.00 175.30 176.18 2a8t s LEU 68 N -2.68 3.96 0.00 2.53 1.43 0.24 -1.02 118.68 123.14 2a8t s LEU 68 Ca 0.23 1.65 -0.12 0.00 -1.03 0.00 0.00 54.13 54.86 2a8t s LEU 68 Cb -0.09 -4.49 0.04 0.00 0.03 0.00 0.00 46.19 41.69 2a8t s LEU 68 CO 0.14 -0.34 0.59 0.61 0.23 0.00 0.00 176.35 177.58 2a8t n GLY 69 N -0.60 1.09 3.91 -3.19 0.00 -0.16 -1.19 105.19 105.06 2a8t n GLY 69 Ca 0.07 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 2a8t n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a8t s PHE 70 N -4.04 3.53 0.52 1.61 0.40 -1.26 -0.29 117.98 118.45 2a8t s PHE 70 Ca 0.13 0.30 -0.22 0.00 -0.60 0.00 0.00 56.93 56.53 2a8t s PHE 70 Cb -0.03 -1.79 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 2a8t s PHE 70 CO 0.06 0.62 1.31 -1.25 0.70 0.00 0.00 175.22 176.65 2a8t s PRO 71 N -2.22 3.30 0.00 0.24 0.04 -1.25 -4.73 135.00 130.38 2a8t s PRO 71 Ca 0.31 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2a8t s PRO 71 Cb -0.13 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.12 2a8t s PRO 71 CO 0.23 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.66 2a8t n GLY 72 N 0.65 0.58 0.00 0.56 0.00 -1.26 -1.12 105.19 104.61 2a8t n GLY 72 Ca 0.10 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2a8t n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a8t n GLY 73 N 0.00 -1.02 3.76 -0.02 0.00 0.13 -4.90 105.19 103.15 2a8t n GLY 73 Ca 0.00 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 2a8t n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a8t s PHE 74 N -3.00 2.68 -0.05 1.61 0.08 -1.26 -0.66 117.98 117.38 2a8t s PHE 74 Ca 0.00 1.47 -0.00 0.00 0.12 0.00 0.00 56.93 58.52 2a8t s PHE 74 Cb 0.00 -3.54 0.03 0.00 -0.57 0.00 0.00 43.02 38.94 2a8t s PHE 74 CO 0.00 -2.01 -0.00 0.08 -0.10 0.00 0.00 175.22 173.19 2a8t s VAL 75 N -1.44 0.28 -0.63 -0.44 1.01 -0.19 -4.86 120.40 114.12 2a8t s VAL 75 Ca 0.66 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 2a8t s VAL 75 Cb -0.33 -0.40 0.06 0.00 0.00 0.00 0.00 36.38 35.70 2a8t s VAL 75 CO 0.40 0.20 0.99 -0.62 0.00 0.00 0.00 175.10 176.07 2a8t s ASP 76 N 1.47 6.23 0.00 3.32 -1.08 -1.26 -4.10 116.67 121.25 2a8t s ASP 76 Ca -0.03 -0.71 0.21 0.00 -0.52 0.00 0.00 52.55 51.50 2a8t s ASP 76 Cb -0.13 -2.44 1.16 0.00 -1.46 0.00 0.00 42.92 40.05 2a8t s ASP 76 CO -0.03 -1.40 1.65 0.35 0.52 0.00 0.00 175.17 176.26 2a8t n THR 77 N 6.06 0.17 0.23 1.71 -2.24 -1.25 -1.51 114.28 117.45 2a8t n THR 77 Ca -0.01 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 2a8t n THR 77 Cb 0.46 -0.71 0.10 0.00 -2.10 0.00 0.00 70.33 68.09 2a8t n THR 77 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2a8t h ARG 78 N 0.00 0.00 0.00 -0.78 3.08 -1.99 -3.40 114.38 111.29 2a8t h ARG 78 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 2a8t h ARG 78 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2a8t h ARG 78 CO 0.00 0.00 -1.58 -3.47 -1.07 0.00 0.00 179.97 173.85 2a8t n ASP 79 N -2.72 1.92 -4.19 7.04 4.64 -0.57 -5.06 116.55 117.60 2a8t n ASP 79 Ca 0.02 0.33 -0.14 0.00 -1.38 0.00 0.00 54.79 53.62 2a8t n ASP 79 Cb 0.52 -0.76 -0.11 0.00 -1.04 0.00 0.00 41.12 39.74 2a8t n ASP 79 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 2a8t s ILE 80 N -2.74 0.98 0.91 5.18 -4.36 -0.60 -5.12 121.20 115.44 2a8t s ILE 80 Ca -0.32 -1.74 -0.11 0.00 -0.26 0.00 0.00 60.65 58.22 2a8t s ILE 80 Cb 0.08 -1.48 0.14 0.00 1.25 0.00 0.00 42.46 42.45 2a8t s ILE 80 CO 0.44 -0.61 1.09 -0.94 0.24 0.00 0.00 174.94 175.17 2a8t s SER 81 N -2.62 3.23 0.29 4.36 1.04 -1.26 -3.92 113.70 114.82 2a8t s SER 81 Ca 0.08 1.70 0.02 0.00 0.48 0.00 0.00 55.95 58.22 2a8t s SER 81 Cb -0.01 -2.33 0.57 0.00 0.10 0.00 0.00 66.02 64.34 2a8t s SER 81 CO -0.00 -2.82 1.86 -0.07 0.98 0.00 0.00 173.24 173.19 2a8t h LEU 82 N -1.68 0.90 -0.31 2.42 3.38 -1.94 -1.27 115.31 116.81 2a8t h LEU 82 Ca -0.49 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.38 2a8t h LEU 82 Cb 1.28 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2a8t h LEU 82 CO 0.51 0.51 -0.35 -0.33 0.09 0.00 0.00 178.44 178.87 2a8t h GLU 83 N 0.99 0.79 -0.48 1.13 3.07 -1.91 -1.45 114.58 116.71 2a8t h GLU 83 Ca 0.46 -0.43 -0.11 0.00 -0.50 0.00 0.00 59.36 58.78 2a8t h GLU 83 Cb 0.41 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.33 2a8t h GLU 83 CO -0.22 1.06 -0.12 1.49 -1.40 0.00 0.00 179.01 179.83 2a8t h GLU 84 N 0.56 0.93 -0.29 2.33 4.57 -1.85 -0.42 114.58 120.40 2a8t h GLU 84 Ca 0.04 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 2a8t h GLU 84 Cb 0.94 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 2a8t h GLU 84 CO 0.09 1.01 0.14 0.78 -1.18 0.00 0.00 179.01 179.85 2a8t h GLY 85 N 0.78 0.45 0.78 1.92 0.00 -1.21 -1.58 103.07 104.21 2a8t h GLY 85 Ca 0.12 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.26 2a8t h GLY 85 CO 0.05 0.21 0.18 -2.00 0.00 0.00 0.00 176.54 174.98 2a8t h LEU 86 N 0.34 0.25 -0.40 3.11 5.85 -1.20 -1.82 115.31 121.45 2a8t h LEU 86 Ca 0.10 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.92 2a8t h LEU 86 Cb 0.12 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 2a8t h LEU 86 CO -0.01 0.19 0.02 0.11 -0.34 0.00 0.00 178.44 178.40 2a8t h LYS 87 N 0.37 0.13 -0.62 1.25 6.56 -0.77 0.14 116.57 123.63 2a8t h LYS 87 Ca 0.17 -0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.69 2a8t h LYS 87 Cb 0.09 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.69 2a8t h LYS 87 CO -0.13 0.08 0.15 0.00 -2.06 0.00 0.00 179.45 177.50 2a8t h ARG 88 N 0.13 0.97 -0.06 3.15 3.08 -1.11 -1.77 114.38 118.77 2a8t h ARG 88 Ca 0.20 -0.21 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 2a8t h ARG 88 Cb 0.27 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2a8t h ARG 88 CO -0.31 0.86 -0.73 1.49 -1.07 0.00 0.00 179.97 180.22 2a8t h GLU 89 N 0.93 0.33 -0.23 0.04 4.57 -0.76 -2.42 114.58 117.03 2a8t h GLU 89 Ca 0.20 -0.27 -0.13 0.00 -1.18 0.00 0.00 59.36 57.97 2a8t h GLU 89 Cb 0.33 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2a8t h GLU 89 CO -0.00 0.92 -0.41 -0.07 -1.18 0.00 0.00 179.01 178.26 2a8t h LEU 90 N 0.22 0.59 -0.39 1.64 3.38 -0.49 -2.23 115.31 118.04 2a8t h LEU 90 Ca -0.03 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 2a8t h LEU 90 Cb 1.29 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2a8t h LEU 90 CO 0.12 0.94 -0.22 -0.08 0.09 0.00 0.00 178.44 179.29 2a8t h GLU 91 N 0.46 0.84 -0.56 1.13 4.81 -1.23 0.28 114.58 120.30 2a8t h GLU 91 Ca 0.04 -0.38 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 2a8t h GLU 91 Cb 0.92 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 2a8t h GLU 91 CO 0.08 1.02 0.34 0.93 -0.73 0.00 0.00 179.01 180.65 2a8t h GLU 92 N 0.65 0.67 0.07 1.92 5.08 -1.36 -1.01 114.58 120.59 2a8t h GLU 92 Ca 0.08 -0.04 -0.34 0.00 -1.00 0.00 0.00 59.36 58.06 2a8t h GLU 92 Cb 0.78 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2a8t h GLU 92 CO 0.06 0.44 -1.94 0.39 -1.00 0.00 0.00 179.01 176.96 2a8t n GLU 93 N -4.75 0.71 -0.07 2.33 1.02 -0.84 -1.60 120.64 117.43 2a8t n GLU 93 Ca 0.04 0.26 -0.04 0.00 -0.02 0.00 0.00 57.16 57.40 2a8t n GLU 93 Cb 0.07 -1.72 -0.15 0.00 -0.02 0.00 0.00 31.44 29.62 2a8t n GLU 93 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2a8t n LEU 94 N -3.29 0.00 0.00 -4.62 4.77 0.08 -4.68 117.00 109.26 2a8t n LEU 94 Ca -0.28 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 2a8t n LEU 94 Cb 1.05 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 42.48 2a8t n LEU 94 CO 0.43 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 2a8t n GLY 95 N 1.73 -0.73 0.33 -0.72 0.00 -0.38 -3.66 105.19 101.76 2a8t n GLY 95 Ca -0.24 -2.19 0.01 0.00 0.00 0.00 0.00 46.02 43.61 2a8t n GLY 95 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2a8t h PRO 96 N 4.74 0.81 0.00 1.61 0.11 -1.78 -2.67 132.00 134.81 2a8t h PRO 96 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2a8t h PRO 96 Cb 0.00 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.93 2a8t h PRO 96 CO 0.00 0.56 0.19 0.00 -0.21 0.00 0.00 178.00 178.54 2a8t h ALA 97 N 1.59 1.17 0.00 -0.75 0.00 -1.89 -1.66 119.26 117.72 2a8t h ALA 97 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2a8t h ALA 97 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2a8t h ALA 97 CO -0.04 -0.17 0.00 -0.07 0.00 0.00 0.00 179.25 178.97 2a8t h LEU 98 N 0.00 0.00 -1.16 0.00 -0.00 -1.82 -2.91 115.31 109.42 2a8t h LEU 98 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2a8t h LEU 98 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2a8t h LEU 98 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 2a8t n ALA 99 N -1.92 1.17 0.31 1.53 0.00 -0.63 -0.32 120.51 120.65 2a8t n ALA 99 Ca 0.04 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.76 2a8t n ALA 99 Cb 0.45 -1.30 0.23 0.00 0.00 0.00 0.00 19.45 18.83 2a8t n ALA 99 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2a8t n THR 100 N -2.18 0.53 -4.97 0.00 -2.24 -1.10 -4.92 114.28 99.39 2a8t n THR 100 Ca -0.01 -0.74 -0.32 0.00 -2.27 0.00 0.00 64.05 60.71 2a8t n THR 100 Cb 0.07 0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 69.05 2a8t n THR 100 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2a8t s VAL 101 N -1.47 2.70 -0.53 2.28 1.01 0.57 -5.08 120.40 119.88 2a8t s VAL 101 Ca 0.39 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.57 2a8t s VAL 101 Cb 0.23 -2.07 0.14 0.00 0.00 0.00 0.00 36.38 34.67 2a8t s VAL 101 CO 0.32 0.56 0.30 -0.70 0.00 0.00 0.00 175.10 175.57 2a8t s GLU 102 N -0.04 2.13 -0.43 2.72 2.56 -1.26 -4.99 118.70 119.39 2a8t s GLU 102 Ca -0.05 -2.49 -0.26 0.00 0.00 0.00 0.00 54.97 52.18 2a8t s GLU 102 Cb -0.14 -3.46 0.02 0.00 2.00 0.00 0.00 34.13 32.55 2a8t s GLU 102 CO 0.04 -1.11 0.95 0.08 -0.56 0.00 0.00 175.26 174.66 2a8t s VAL 103 N -0.04 4.49 0.09 3.70 1.01 -1.26 -5.02 120.40 123.37 2a8t s VAL 103 Ca 0.16 0.97 0.01 0.00 0.00 0.00 0.00 61.98 63.12 2a8t s VAL 103 Cb -0.23 -4.41 0.01 0.00 0.00 0.00 0.00 36.38 31.75 2a8t s VAL 103 CO -0.02 -0.73 0.07 0.35 0.00 0.00 0.00 175.10 174.77 2a8t n THR 104 N 6.29 0.00 0.24 3.92 -2.24 -1.26 -4.89 114.28 116.33 2a8t n THR 104 Ca 0.07 -0.34 0.08 0.00 -2.27 0.00 0.00 64.05 61.59 2a8t n THR 104 Cb 0.48 -0.49 0.58 0.00 -2.10 0.00 0.00 70.33 68.81 2a8t n THR 104 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2a8t h GLU 105 N 0.00 0.00 0.00 -0.78 5.08 -1.98 -1.84 114.58 115.06 2a8t h GLU 105 Ca -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2a8t h GLU 105 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2a8t h GLU 105 CO 0.08 0.16 -0.06 -0.44 -1.00 0.00 0.00 179.01 177.76 2a8t h ASP 106 N 0.00 0.00 0.54 1.42 3.32 -1.99 -2.73 116.42 116.98 2a8t h ASP 106 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2a8t h ASP 106 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2a8t h ASP 106 CO 0.02 0.06 -0.65 0.47 -1.72 0.00 0.00 179.24 177.41 2a8t n ASP 107 N -3.33 0.59 -4.76 6.45 10.43 -0.70 -4.91 116.55 120.33 2a8t n ASP 107 Ca -0.01 -0.20 -0.41 0.00 2.57 0.00 0.00 54.79 56.73 2a8t n ASP 107 Cb 0.22 0.37 -0.01 0.00 1.84 0.00 0.00 41.12 43.54 2a8t n ASP 107 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 2a8t s TYR 108 N -3.07 2.76 0.04 1.24 6.14 -1.03 -0.83 117.35 122.60 2a8t s TYR 108 Ca 0.08 0.96 0.00 0.00 0.64 0.00 0.00 57.07 58.76 2a8t s TYR 108 Cb 0.16 -4.00 0.00 0.00 0.42 0.00 0.00 41.96 38.54 2a8t s TYR 108 CO 0.73 -3.19 0.00 0.54 0.64 0.00 0.00 175.55 174.27 2a8t n ARG 109 N 1.62 0.00 -3.66 4.97 5.12 0.41 -4.88 116.66 120.24 2a8t n ARG 109 Ca 0.05 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.87 2a8t n ARG 109 Cb 0.39 -0.49 -0.04 0.00 -1.16 0.00 0.00 32.46 31.15 2a8t n ARG 109 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2a8t s SER 110 N -5.35 -0.24 -0.00 0.55 1.04 -1.09 -5.01 113.70 103.60 2a8t s SER 110 Ca 0.00 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.09 2a8t s SER 110 Cb 0.00 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 2a8t s SER 110 CO 0.00 -0.90 -0.07 -0.44 0.98 0.00 0.00 173.24 172.81 2a8t s SER 111 N -2.82 0.85 0.07 7.02 0.01 -1.25 -0.58 113.70 116.99 2a8t s SER 111 Ca 0.05 -0.17 0.06 0.00 1.31 0.00 0.00 55.95 57.20 2a8t s SER 111 Cb 0.01 -0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 2a8t s SER 111 CO -0.10 0.06 -0.16 -1.10 0.41 0.00 0.00 173.24 172.36 2a8t s GLN 112 N -0.30 0.92 0.02 12.44 -0.21 -0.13 -1.89 119.66 130.50 2a8t s GLN 112 Ca 0.02 -0.95 0.06 0.00 0.02 0.00 0.00 55.36 54.50 2a8t s GLN 112 Cb -0.03 -0.98 -0.02 0.00 1.00 0.00 0.00 33.01 32.98 2a8t s GLN 112 CO -0.00 0.23 -0.17 0.54 -2.12 0.00 0.00 175.29 173.76 2a8t s VAL 113 N -1.15 1.39 0.07 1.09 0.11 0.25 -0.61 120.40 121.55 2a8t s VAL 113 Ca 0.01 -0.97 -0.01 0.00 -2.93 0.00 0.00 61.98 58.08 2a8t s VAL 113 Cb -0.10 -1.20 -0.04 0.00 -1.53 0.00 0.00 36.38 33.51 2a8t s VAL 113 CO 0.02 0.21 -0.02 0.00 -3.33 0.00 0.00 175.10 171.99 2a8t s ARG 114 N -0.88 0.70 -0.00 1.54 1.70 -0.53 -0.66 118.95 120.82 2a8t s ARG 114 Ca 0.05 -1.28 0.02 0.00 -0.47 0.00 0.00 55.73 54.05 2a8t s ARG 114 Cb -0.08 0.15 -0.02 0.00 -0.57 0.00 0.00 34.95 34.43 2a8t s ARG 114 CO 0.01 -0.12 0.05 0.39 -1.08 0.00 0.00 175.30 174.54 2a8t n GLU 115 N 0.05 1.63 -4.67 3.89 4.71 -1.26 -1.66 120.64 123.32 2a8t n GLU 115 Ca -0.12 -0.01 -0.24 0.00 -0.01 0.00 0.00 57.16 56.78 2a8t n GLU 115 Cb 0.61 -0.93 -0.16 0.00 -1.01 0.00 0.00 31.44 29.96 2a8t n GLU 115 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2a8t s HIS 116 N -1.88 1.45 0.37 -0.32 3.76 -1.26 -3.18 115.29 114.22 2a8t s HIS 116 Ca -0.00 -0.41 0.15 0.00 -0.15 0.00 0.00 55.06 54.64 2a8t s HIS 116 Cb 0.01 -0.99 0.83 0.00 1.11 0.00 0.00 32.58 33.53 2a8t s HIS 116 CO 0.07 -0.15 1.86 -1.00 -0.85 0.00 0.00 174.74 174.67 2a8t h PRO 117 N 6.36 0.00 -4.45 8.40 0.13 -2.03 -3.48 132.00 136.92 2a8t h PRO 117 Ca -0.33 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.59 2a8t h PRO 117 Cb 1.17 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.13 2a8t h PRO 117 CO 0.48 0.33 -0.70 1.14 -0.23 0.00 0.00 178.00 179.01 2a8t s GLN 118 N -4.20 0.63 -0.50 0.86 1.03 -1.19 -5.10 119.66 111.18 2a8t s GLN 118 Ca -0.03 -1.04 -0.27 0.00 0.04 0.00 0.00 55.36 54.06 2a8t s GLN 118 Cb 0.14 -0.10 -0.03 0.00 0.03 0.00 0.00 33.01 33.05 2a8t s GLN 118 CO 0.70 -0.02 1.96 0.15 -2.54 0.00 0.00 175.29 175.55 2a8t s LYS 119 N -2.87 2.72 -0.02 9.60 1.02 -1.19 -4.03 119.74 124.97 2a8t s LYS 119 Ca 0.01 1.02 0.01 0.00 0.02 0.00 0.00 55.97 57.03 2a8t s LYS 119 Cb -0.01 -4.38 0.01 0.00 -0.52 0.00 0.00 37.83 32.93 2a8t s LYS 119 CO -0.04 -2.60 -0.04 0.00 -0.92 0.00 0.00 175.35 171.76 2a8t s VAL 121 N 0.32 3.55 -0.14 0.00 1.01 0.70 -1.46 120.40 124.37 2a8t s VAL 121 Ca -0.03 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 2a8t s VAL 121 Cb -0.07 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 2a8t s VAL 121 CO -0.00 0.52 -0.13 0.42 0.00 0.00 0.00 175.10 175.90 2a8t s THR 122 N 0.15 2.92 -0.05 3.92 -4.23 0.22 -1.51 115.64 117.07 2a8t s THR 122 Ca -0.04 -0.70 -0.00 0.00 -1.18 0.00 0.00 61.69 59.77 2a8t s THR 122 Cb -0.14 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 2a8t s THR 122 CO 0.04 0.52 0.00 -1.00 -0.54 0.00 0.00 174.62 173.63 2a8t s HIS 123 N 0.57 3.12 -0.08 3.99 3.76 0.31 -0.96 115.29 126.00 2a8t s HIS 123 Ca -0.08 0.15 0.03 0.00 -0.15 0.00 0.00 55.06 55.00 2a8t s HIS 123 Cb -0.16 -1.74 0.01 0.00 1.11 0.00 0.00 32.58 31.80 2a8t s HIS 123 CO 0.03 0.46 -0.16 0.12 -0.85 0.00 0.00 174.74 174.34 2a8t s PHE 124 N -0.97 1.84 0.07 1.40 5.99 0.25 -1.33 117.98 125.24 2a8t s PHE 124 Ca 0.16 -0.71 0.08 0.00 0.00 0.00 0.00 56.93 56.46 2a8t s PHE 124 Cb -0.11 -1.29 -0.03 0.00 0.00 0.00 0.00 43.02 41.58 2a8t s PHE 124 CO 0.06 -0.33 -0.21 0.71 -0.00 0.00 0.00 175.22 175.45 2a8t s TYR 125 N 0.54 2.47 -0.09 10.12 1.51 -0.14 -0.45 117.35 131.32 2a8t s TYR 125 Ca -0.16 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.60 2a8t s TYR 125 Cb -0.17 -1.40 0.02 0.00 -0.11 0.00 0.00 41.96 40.31 2a8t s TYR 125 CO 0.06 0.26 -0.09 0.42 -1.11 0.00 0.00 175.55 175.09 2a8t s ILE 126 N -0.96 1.00 -0.07 2.71 1.01 -0.01 -0.74 121.20 124.14 2a8t s ILE 126 Ca 0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 2a8t s ILE 126 Cb -0.10 -0.97 0.03 0.00 0.01 0.00 0.00 42.46 41.42 2a8t s ILE 126 CO 0.06 0.34 -0.01 -0.75 0.00 0.00 0.00 174.94 174.58 2a8t s LYS 127 N 1.21 0.70 0.20 2.79 2.20 -0.35 -4.65 119.74 121.85 2a8t s LYS 127 Ca -0.05 0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.33 2a8t s LYS 127 Cb -0.14 -1.03 -0.08 0.00 -1.51 0.00 0.00 37.83 35.07 2a8t s LYS 127 CO -0.02 -0.29 1.01 -2.00 -0.36 0.00 0.00 175.35 173.68 2a8t s GLU 128 N 1.91 4.73 0.34 4.03 2.12 -1.26 -2.24 118.70 128.33 2a8t s GLU 128 Ca 0.04 1.58 0.05 0.00 0.36 0.00 0.00 54.97 57.01 2a8t s GLU 128 Cb -0.12 -3.29 -0.07 0.00 0.26 0.00 0.00 34.13 30.91 2a8t s GLU 128 CO -0.05 0.30 0.03 -0.51 -0.54 0.00 0.00 175.26 174.48 2a8t s LEU 129 N -0.75 2.40 0.51 2.70 1.43 0.15 -4.92 118.68 120.21 2a8t s LEU 129 Ca 0.45 -1.35 -0.19 0.00 -1.03 0.00 0.00 54.13 52.00 2a8t s LEU 129 Cb -0.27 -0.55 -0.07 0.00 0.03 0.00 0.00 46.19 45.33 2a8t s LEU 129 CO 0.34 -0.53 1.07 -0.54 0.23 0.00 0.00 176.35 176.91 2a8t s LYS 130 N -3.82 3.62 0.15 1.70 1.02 -1.26 -4.27 119.74 116.87 2a8t s LYS 130 Ca 0.35 1.42 -0.21 0.00 0.02 0.00 0.00 55.97 57.55 2a8t s LYS 130 Cb 0.08 -2.06 0.03 0.00 -0.52 0.00 0.00 37.83 35.36 2a8t s LYS 130 CO 0.16 -0.60 1.65 1.25 -0.92 0.00 0.00 175.35 176.89 2a8t h LEU 131 N 1.33 -0.61 -1.92 3.17 5.85 -1.92 -0.39 115.31 120.82 2a8t h LEU 131 Ca -0.49 0.12 0.21 0.00 0.84 0.00 0.00 57.88 58.56 2a8t h LEU 131 Cb 1.23 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 2a8t h LEU 131 CO 0.58 -0.23 0.61 1.05 -0.34 0.00 0.00 178.44 180.12 2a8t h GLU 132 N -0.19 0.00 -0.02 1.25 -0.00 -1.95 -1.60 114.58 112.08 2a8t h GLU 132 Ca 0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 59.34 2a8t h GLU 132 Cb 0.39 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.15 2a8t h GLU 132 CO -0.35 0.00 -0.58 0.93 -0.00 0.00 0.00 179.01 179.01 2a8t h GLU 133 N 0.00 0.43 -0.59 1.06 5.08 -1.45 -1.90 114.58 117.21 2a8t h GLU 133 Ca 0.34 -0.43 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 2a8t h GLU 133 Cb 1.57 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 2a8t h GLU 133 CO -0.00 1.09 0.08 0.82 -1.00 0.00 0.00 179.01 179.99 2a8t h ILE 134 N -0.07 1.25 -0.72 3.13 1.08 -1.10 -2.09 117.51 118.99 2a8t h ILE 134 Ca -0.07 -1.00 -0.05 0.00 -0.39 0.00 0.00 64.86 63.36 2a8t h ILE 134 Cb 1.28 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 35.71 2a8t h ILE 134 CO 0.11 0.37 0.26 -0.33 -0.69 0.00 0.00 178.15 177.87 2a8t h GLU 135 N 0.91 1.09 -0.64 2.37 5.08 -1.31 -1.90 114.58 120.18 2a8t h GLU 135 Ca 0.18 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 2a8t h GLU 135 Cb 0.42 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2a8t h GLU 135 CO 0.01 0.92 0.08 -0.09 -1.00 0.00 0.00 179.01 178.94 2a8t h ARG 136 N 1.04 1.07 -0.11 2.33 2.43 -1.21 -2.28 114.38 117.66 2a8t h ARG 136 Ca 0.24 -0.29 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2a8t h ARG 136 Cb 0.26 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2a8t h ARG 136 CO -0.01 1.00 0.03 0.82 -1.51 0.00 0.00 179.97 180.29 2a8t h ILE 137 N 1.00 0.96 -0.98 1.20 2.04 -1.05 -1.69 117.51 119.00 2a8t h ILE 137 Ca 0.19 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 66.05 2a8t h ILE 137 Cb 0.46 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2a8t h ILE 137 CO 0.02 0.01 0.65 -0.33 0.00 0.00 0.00 178.15 178.50 2a8t h GLU 138 N 0.08 1.26 -0.07 2.37 5.08 -1.31 0.32 114.58 122.31 2a8t h GLU 138 Ca 0.05 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 2a8t h GLU 138 Cb 0.04 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2a8t h GLU 138 CO -0.06 0.83 -0.39 0.00 -1.00 0.00 0.00 179.01 178.39 2a8t h ALA 139 N 1.40 1.23 -0.02 3.43 0.00 -1.11 -3.07 119.26 121.13 2a8t h ALA 139 Ca 0.37 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2a8t h ALA 139 Cb -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2a8t h ALA 139 CO -0.09 0.54 -0.30 0.39 0.00 0.00 0.00 179.25 179.78 2a8t n GLU 140 N -4.06 1.56 -0.14 0.00 1.02 -0.66 -4.44 120.64 113.92 2a8t n GLU 140 Ca -0.02 -1.05 0.04 0.00 -0.02 0.00 0.00 57.16 56.11 2a8t n GLU 140 Cb 0.44 -1.36 0.34 0.00 -0.02 0.00 0.00 31.44 30.85 2a8t n GLU 140 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2a8t h ALA 141 N 3.35 1.64 -0.05 0.62 0.00 -0.83 -0.21 119.26 123.78 2a8t h ALA 141 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2a8t h ALA 141 Cb 0.67 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2a8t h ALA 141 CO 0.00 0.29 0.15 -0.39 0.00 0.00 0.00 179.25 179.30 2a8t h VAL 142 N 0.77 0.15 -0.01 0.00 -1.51 -1.78 -0.66 116.25 113.21 2a8t h VAL 142 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.72 2a8t h VAL 142 Cb 0.06 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.08 2a8t h VAL 142 CO -0.07 0.00 -0.35 0.59 -1.23 0.00 0.00 177.57 176.52 2a8t n ASN 143 N -3.25 1.31 -4.60 4.19 3.02 -0.09 -4.82 115.26 111.01 2a8t n ASN 143 Ca -0.02 -1.06 -0.37 0.00 -0.03 0.00 0.00 54.58 53.10 2a8t n ASN 143 Cb 0.22 0.26 0.06 0.00 -0.61 0.00 0.00 39.78 39.71 2a8t n ASN 143 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a8t n ALA 144 N -0.51 -0.06 -0.28 5.41 0.00 -0.26 -4.80 120.51 120.02 2a8t n ALA 144 Ca 0.11 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.58 2a8t n ALA 144 Cb 0.38 -2.08 0.31 0.00 0.00 0.00 0.00 19.45 18.06 2a8t n ALA 144 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2a8t h LYS 145 N 0.26 0.82 -0.50 0.00 3.64 -1.72 -2.97 116.57 116.10 2a8t h LYS 145 Ca -0.48 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 2a8t h LYS 145 Cb 1.36 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2a8t h LYS 145 CO 0.49 0.55 0.00 -0.25 -2.27 0.00 0.00 179.45 177.97 2a8t n ASP 146 N -4.54 3.14 -4.73 4.20 8.00 -0.63 -4.90 116.55 117.09 2a8t n ASP 146 Ca 0.15 -1.96 -0.42 0.00 0.71 0.00 0.00 54.79 53.27 2a8t n ASP 146 Cb 0.33 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 2a8t n ASP 146 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2a8t s HIS 147 N -1.35 3.13 0.00 1.24 5.65 -1.13 -1.00 115.29 121.85 2a8t s HIS 147 Ca 0.39 1.00 0.00 0.00 0.25 0.00 0.00 55.06 56.70 2a8t s HIS 147 Cb 0.21 -3.75 0.00 0.00 -1.18 0.00 0.00 32.58 27.86 2a8t s HIS 147 CO 0.29 -2.52 0.00 0.41 -0.65 0.00 0.00 174.74 172.27 2a8t n GLY 148 N 2.74 0.60 0.00 1.59 0.00 0.11 -4.88 105.19 105.35 2a8t n GLY 148 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2a8t n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2a8t n LEU 149 N 0.00 0.00 0.02 0.99 4.77 -0.74 -4.91 117.00 117.13 2a8t n LEU 149 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 2a8t n LEU 149 Cb 0.05 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.69 2a8t n LEU 149 CO 0.00 0.00 1.16 -0.33 -1.33 0.00 0.00 177.39 176.89 2a8t h GLU 150 N 0.00 0.28 -4.90 3.23 5.08 -1.84 -3.36 114.58 113.07 2a8t h GLU 150 Ca 0.00 -0.02 -0.67 0.00 -1.00 0.00 0.00 59.36 57.67 2a8t h GLU 150 Cb 0.00 -0.06 -0.30 0.00 0.50 0.00 0.00 28.75 28.88 2a8t h GLU 150 CO 0.00 0.19 -0.72 0.08 -1.00 0.00 0.00 179.01 177.55 2a8t s VAL 151 N -5.28 3.13 -1.60 3.13 1.01 -0.17 -0.90 120.40 119.73 2a8t s VAL 151 Ca -0.07 -0.88 0.25 0.00 0.00 0.00 0.00 61.98 61.28 2a8t s VAL 151 Cb 0.19 -2.57 0.11 0.00 0.00 0.00 0.00 36.38 34.11 2a8t s VAL 151 CO 0.73 0.22 1.37 0.23 0.00 0.00 0.00 175.10 177.65 2a8t n MET 152 N 4.72 0.68 0.00 2.72 2.81 -0.03 0.07 117.12 128.09 2a8t n MET 152 Ca -0.16 -0.46 0.00 0.00 -1.81 0.00 0.00 57.70 55.27 2a8t n MET 152 Cb 0.48 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 2a8t n MET 152 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2a8t n GLY 153 N 1.40 3.84 3.85 3.03 0.00 -1.21 -4.82 105.19 111.28 2a8t n GLY 153 Ca 0.09 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 2a8t n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a8t s LEU 154 N 0.00 4.42 0.10 0.99 1.43 -1.26 -0.87 118.68 123.49 2a8t s LEU 154 Ca 0.00 0.92 0.05 0.00 -1.03 0.00 0.00 54.13 54.07 2a8t s LEU 154 Cb 0.00 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 2a8t s LEU 154 CO 0.00 0.25 -0.13 0.27 0.23 0.00 0.00 176.35 176.98 2a8t s ILE 155 N -1.22 1.12 0.02 -0.59 -4.36 0.06 -4.94 121.20 111.29 2a8t s ILE 155 Ca 0.28 -1.58 -0.12 0.00 -0.26 0.00 0.00 60.65 58.98 2a8t s ILE 155 Cb -0.16 -1.34 -0.05 0.00 1.25 0.00 0.00 42.46 42.16 2a8t s ILE 155 CO 0.16 -0.42 0.37 -0.13 0.24 0.00 0.00 174.94 175.16 2a8t s ARG 156 N -2.46 3.80 -0.30 0.37 0.52 -1.26 -1.27 118.95 118.35 2a8t s ARG 156 Ca 0.05 0.26 -0.25 0.00 -0.52 0.00 0.00 55.73 55.26 2a8t s ARG 156 Cb -0.06 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.29 2a8t s ARG 156 CO 0.02 0.65 0.87 0.08 0.02 0.00 0.00 175.30 176.94 2a8t s VAL 157 N -1.19 4.72 0.02 3.52 1.01 -0.23 -4.94 120.40 123.31 2a8t s VAL 157 Ca 0.26 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.31 2a8t s VAL 157 Cb -0.15 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 2a8t s VAL 157 CO 0.14 -0.29 1.44 -2.16 0.00 0.00 0.00 175.10 174.23 2a8t s PRO 158 N 3.12 4.27 -0.01 2.72 0.04 -1.26 -4.56 135.00 139.32 2a8t s PRO 158 Ca 0.36 2.03 0.20 0.00 0.04 0.00 0.00 61.00 63.64 2a8t s PRO 158 Cb -0.14 -3.55 -0.22 0.00 0.04 0.00 0.00 34.50 30.63 2a8t s PRO 158 CO 0.12 -0.59 0.56 1.28 0.04 0.00 0.00 177.00 178.41 2a8t n LEU 159 N 5.29 0.32 -4.85 -3.56 4.77 -1.26 -3.21 117.00 114.50 2a8t n LEU 159 Ca 0.13 0.13 -0.30 0.00 -0.03 0.00 0.00 56.01 55.94 2a8t n LEU 159 Cb 0.43 0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.68 2a8t n LEU 159 CO 0.59 0.11 0.73 -0.72 -1.33 0.00 0.00 177.39 176.77 2a8t s TYR 160 N -3.15 3.23 -0.09 -1.77 -0.85 -1.26 -4.71 117.35 108.75 2a8t s TYR 160 Ca -0.06 1.19 0.02 0.00 -0.52 0.00 0.00 57.07 57.69 2a8t s TYR 160 Cb 0.10 -2.98 -0.02 0.00 0.38 0.00 0.00 41.96 39.44 2a8t s TYR 160 CO 0.85 -1.23 -0.13 0.99 -1.52 0.00 0.00 175.55 174.51 2a8t s THR 161 N -3.22 3.14 0.90 -3.49 2.01 -1.26 -1.02 115.64 112.69 2a8t s THR 161 Ca 0.58 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.79 2a8t s THR 161 Cb -0.12 -2.27 0.18 0.00 0.01 0.00 0.00 72.50 70.29 2a8t s THR 161 CO 0.53 0.56 1.24 -0.76 -0.69 0.00 0.00 174.62 175.51 2a8t s LEU 162 N -0.27 2.76 0.36 4.42 1.43 -0.10 -4.91 118.68 122.38 2a8t s LEU 162 Ca 0.02 0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 2a8t s LEU 162 Cb -0.13 -2.29 0.69 0.00 0.03 0.00 0.00 46.19 44.49 2a8t s LEU 162 CO 0.03 -2.50 2.00 0.08 0.23 0.00 0.00 176.35 176.19 2a8t h ARG 163 N -1.37 0.70 0.00 1.70 0.11 -2.01 -1.00 114.38 112.52 2a8t h ARG 163 Ca -0.43 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2a8t h ARG 163 Cb 1.25 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 32.18 2a8t h ARG 163 CO 0.40 0.50 0.00 -0.40 0.10 0.00 0.00 179.97 180.57 2a8t n ASP 164 N -4.42 0.00 -0.29 0.08 3.85 -1.26 -4.85 116.55 109.67 2a8t n ASP 164 Ca 0.05 -0.03 -0.04 0.00 -0.71 0.00 0.00 54.79 54.06 2a8t n ASP 164 Cb 0.08 -0.19 -0.02 0.00 -1.35 0.00 0.00 41.12 39.65 2a8t n ASP 164 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 2a8t n ARG 165 N -1.19 -0.78 0.00 0.11 -4.01 -0.38 -4.77 116.66 105.65 2a8t n ARG 165 Ca 0.06 0.46 0.00 0.00 -1.04 0.00 0.00 57.85 57.34 2a8t n ARG 165 Cb 0.07 -4.21 0.00 0.00 -3.04 0.00 0.00 32.46 25.28 2a8t n ARG 165 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2a8t n VAL 166 N -2.63 0.00 -1.90 8.89 0.31 -1.26 -4.86 118.33 116.87 2a8t n VAL 166 Ca -0.04 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.92 2a8t n VAL 166 Cb 0.25 -0.31 0.04 0.00 -0.91 0.00 0.00 33.84 32.91 2a8t n VAL 166 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2a8t s GLY 167 N -3.73 2.82 0.00 2.92 0.00 -1.26 -1.16 107.32 106.92 2a8t s GLY 167 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 44.72 45.88 2a8t s GLY 167 CO 0.00 1.61 0.00 0.61 0.00 0.00 0.00 173.10 175.32 2a8t n GLY 168 N 0.67 0.94 0.20 0.20 0.00 -1.26 -0.93 105.19 105.01 2a8t n GLY 168 Ca 0.13 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 2a8t n GLY 168 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2a8t h LEU 169 N 0.00 0.32 -0.63 0.99 5.85 -1.04 -0.00 115.31 120.79 2a8t h LEU 169 Ca 0.00 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2a8t h LEU 169 Cb 0.00 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2a8t h LEU 169 CO 0.00 0.22 0.39 -0.65 -0.34 0.00 0.00 178.44 178.06 2a8t h PRO 170 N 0.46 0.85 -0.52 5.25 0.11 -1.80 -1.41 132.00 134.93 2a8t h PRO 170 Ca 0.22 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 2a8t h PRO 170 Cb 0.15 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 2a8t h PRO 170 CO -0.17 0.60 0.09 0.00 -0.21 0.00 0.00 178.00 178.31 2a8t h ALA 171 N 1.20 0.69 -1.00 -0.75 0.00 -0.88 -2.52 119.26 116.00 2a8t h ALA 171 Ca 0.23 -0.24 0.21 0.00 0.00 0.00 0.00 54.91 55.11 2a8t h ALA 171 Cb -0.04 -0.20 -0.11 0.00 0.00 0.00 0.00 17.79 17.45 2a8t h ALA 171 CO -0.04 0.42 0.61 0.35 0.00 0.00 0.00 179.25 180.59 2a8t h PHE 172 N 0.74 0.97 0.00 0.00 3.04 -0.61 -1.68 116.94 119.40 2a8t h PHE 172 Ca 0.16 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.14 2a8t h PHE 172 Cb 0.40 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 38.62 2a8t h PHE 172 CO 0.03 0.17 0.00 1.28 -2.02 0.00 0.00 178.31 177.76 2a8t n LEU 173 N -4.76 0.00 -0.31 0.59 4.77 -0.57 -1.72 117.00 115.00 2a8t n LEU 173 Ca 0.24 0.23 0.13 0.00 -0.03 0.00 0.00 56.01 56.58 2a8t n LEU 173 Cb 0.66 -0.23 0.37 0.00 -2.33 0.00 0.00 43.42 41.88 2a8t n LEU 173 CO 0.21 -0.05 0.66 0.00 -1.33 0.00 0.00 177.39 176.88 2a8t s ASN 175 N -2.42 1.19 -0.35 0.00 0.01 -0.70 -4.99 114.94 107.68 2a8t s ASN 175 Ca 0.26 0.81 -0.15 0.00 -0.71 0.00 0.00 52.86 53.07 2a8t s ASN 175 Cb 0.19 -1.18 -0.01 0.00 0.41 0.00 0.00 41.25 40.66 2a8t s ASN 175 CO 0.49 -3.98 0.32 0.21 -1.51 0.00 0.00 177.10 172.64 2a8t s ASN 176 N -3.69 6.14 -0.03 -1.22 3.84 -1.26 -5.01 114.94 113.71 2a8t s ASN 176 Ca 0.69 -0.39 0.02 0.00 0.21 0.00 0.00 52.86 53.39 2a8t s ASN 176 Cb -0.13 -2.18 -0.03 0.00 -0.55 0.00 0.00 41.25 38.36 2a8t s ASN 176 CO 0.57 -0.33 -0.05 -0.36 -2.79 0.00 0.00 177.10 174.14 2a8t s PHE 177 N 1.90 2.97 0.21 0.43 0.40 -1.26 0.80 117.98 123.43 2a8t s PHE 177 Ca 0.09 0.03 -0.26 0.00 -0.60 0.00 0.00 56.93 56.19 2a8t s PHE 177 Cb -0.17 -1.67 -0.08 0.00 0.51 0.00 0.00 43.02 41.60 2a8t s PHE 177 CO 0.11 0.39 0.83 -1.50 0.70 0.00 0.00 175.22 175.76 2a8t s ILE 178 N -0.95 4.29 0.00 0.64 1.10 -0.33 -4.86 121.20 121.09 2a8t s ILE 178 Ca 0.16 1.78 0.00 0.00 -0.51 0.00 0.00 60.65 62.08 2a8t s ILE 178 Cb -0.11 -4.15 0.00 0.00 0.15 0.00 0.00 42.46 38.35 2a8t s ILE 178 CO 0.06 0.44 0.00 0.61 -2.11 0.00 0.00 174.94 173.94 2a8t n GLY 179 N 1.36 3.60 1.54 1.50 0.00 -1.26 -1.36 105.19 110.57 2a8t n GLY 179 Ca -0.03 0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 2a8t n GLY 179 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2a8t n ASN 180 N 5.66 3.85 0.17 1.61 2.04 -1.26 -4.66 115.26 122.66 2a8t n ASN 180 Ca 0.00 -3.37 0.03 0.00 -0.44 0.00 0.00 54.58 50.80 2a8t n ASN 180 Cb 0.00 -0.68 0.40 0.00 -2.53 0.00 0.00 39.78 36.97 2a8t n ASN 180 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 2a8t h SER 181 N 1.82 0.10 -0.15 0.53 4.64 -1.55 -1.09 113.55 117.85 2a8t h SER 181 Ca 0.23 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.50 2a8t h SER 181 Cb 2.01 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 64.07 2a8t h SER 181 CO 0.57 0.34 -0.01 0.50 -0.87 0.00 0.00 176.83 177.36 2a8t h LYS 182 N 0.09 0.28 -0.80 4.77 3.64 -1.83 -0.72 116.57 122.00 2a8t h LYS 182 Ca 0.02 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2a8t h LYS 182 Cb 0.48 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 2a8t h LYS 182 CO 0.03 0.52 0.53 1.03 -2.27 0.00 0.00 179.45 179.29 2a8t h SER 183 N 0.00 0.86 -0.59 4.20 0.87 -1.85 -0.41 113.55 116.63 2a8t h SER 183 Ca 0.04 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.49 2a8t h SER 183 Cb 0.41 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 2a8t h SER 183 CO 0.01 0.59 -0.00 1.56 -0.53 0.00 0.00 176.83 178.46 2a8t h GLN 184 N 1.00 1.05 -0.14 2.24 4.20 -1.05 -0.84 115.11 121.56 2a8t h GLN 184 Ca 0.32 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2a8t h GLN 184 Cb 0.02 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2a8t h GLN 184 CO -0.09 1.03 0.08 1.25 -0.67 0.00 0.00 178.83 180.43 2a8t h LEU 185 N 0.96 0.18 -1.34 1.46 5.85 -0.20 -0.67 115.31 121.55 2a8t h LEU 185 Ca 0.17 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2a8t h LEU 185 Cb 0.56 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2a8t h LEU 185 CO 0.03 0.21 0.13 -0.07 -0.34 0.00 0.00 178.44 178.41 2a8t h LEU 186 N 0.13 0.53 -0.39 2.25 3.38 -1.03 -1.32 115.31 118.86 2a8t h LEU 186 Ca 0.05 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2a8t h LEU 186 Cb 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2a8t h LEU 186 CO -0.01 0.50 0.14 0.22 0.09 0.00 0.00 178.44 179.39 2a8t h TYR 187 N 0.57 0.60 -0.80 1.13 5.03 -0.79 -2.77 116.97 119.94 2a8t h TYR 187 Ca 0.14 -0.05 -0.04 0.00 2.58 0.00 0.00 58.73 61.36 2a8t h TYR 187 Cb 0.16 -0.18 -0.04 0.00 1.55 0.00 0.00 36.73 38.23 2a8t h TYR 187 CO 0.01 0.55 0.35 0.00 -1.32 0.00 0.00 178.16 177.75 2a8t h ALA 188 N 0.99 1.11 -0.77 1.82 0.00 -0.27 0.15 119.26 122.28 2a8t h ALA 188 Ca 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2a8t h ALA 188 Cb 0.21 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2a8t h ALA 188 CO -0.01 0.65 0.34 -0.07 0.00 0.00 0.00 179.25 180.16 2a8t h LEU 189 N 1.15 1.04 -0.02 0.00 3.38 -1.23 0.37 115.31 120.01 2a8t h LEU 189 Ca 0.27 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2a8t h LEU 189 Cb 0.17 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2a8t h LEU 189 CO -0.03 0.91 -0.06 -0.09 0.09 0.00 0.00 178.44 179.26 2a8t h ARG 190 N 1.11 0.08 -0.41 1.13 1.12 -1.31 0.80 114.38 116.89 2a8t h ARG 190 Ca 0.26 -0.06 0.06 0.00 -1.11 0.00 0.00 59.98 59.14 2a8t h ARG 190 Cb 0.17 0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 30.09 2a8t h ARG 190 CO -0.03 0.68 0.10 1.03 -3.11 0.00 0.00 179.97 178.63 2a8t h SER 191 N -0.51 0.04 0.00 -3.80 0.87 -0.51 -0.78 113.55 108.85 2a8t h SER 191 Ca -0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2a8t h SER 191 Cb 0.68 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2a8t h SER 191 CO 0.01 0.06 0.00 0.18 -0.53 0.00 0.00 176.83 176.55 2a8t n LEU 192 N -5.08 0.00 -3.18 2.23 4.77 0.13 -4.88 117.00 110.99 2a8t n LEU 192 Ca 0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.78 2a8t n LEU 192 Cb 0.18 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2a8t n LEU 192 CO 0.23 0.00 0.01 0.29 -1.33 0.00 0.00 177.39 176.60 2a8t n LYS 193 N -0.92 -4.82 0.13 3.23 5.02 -0.30 -4.88 118.16 115.61 2a8t n LYS 193 Ca 0.16 0.79 -0.24 0.00 -2.02 0.00 0.00 58.31 57.01 2a8t n LYS 193 Cb 0.08 -5.64 -0.16 0.00 -0.02 0.00 0.00 35.03 29.29 2a8t n LYS 193 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2a8t h LEU 194 N -1.42 0.77 -8.08 -0.35 3.38 -1.07 -3.46 115.31 105.09 2a8t h LEU 194 Ca -0.51 -0.88 -0.45 0.00 0.09 0.00 0.00 57.88 56.14 2a8t h LEU 194 Cb 1.35 -0.25 -0.30 0.00 0.09 0.00 0.00 40.66 41.55 2a8t h LEU 194 CO 0.57 1.70 -0.80 -0.76 0.09 0.00 0.00 178.44 179.24 2a8t s LEU 195 N -7.50 1.93 0.90 1.67 1.02 -1.07 -5.05 118.68 110.58 2a8t s LEU 195 Ca -0.10 -0.21 -0.12 0.00 0.02 0.00 0.00 54.13 53.72 2a8t s LEU 195 Cb 0.05 -0.61 0.13 0.00 0.02 0.00 0.00 46.19 45.77 2a8t s LEU 195 CO 0.93 0.12 1.09 -0.13 0.02 0.00 0.00 176.35 178.37 2a8t s ARG 196 N -0.08 1.24 0.18 1.70 0.52 -1.26 -4.33 118.95 116.91 2a8t s ARG 196 Ca 0.01 0.77 -0.12 0.00 -0.52 0.00 0.00 55.73 55.87 2a8t s ARG 196 Cb -0.06 -1.81 0.10 0.00 0.52 0.00 0.00 34.95 33.69 2a8t s ARG 196 CO 0.00 -2.24 1.82 1.49 0.02 0.00 0.00 175.30 176.39 2a8t h GLU 197 N -1.55 0.84 -0.92 3.54 4.57 -1.99 -0.71 114.58 118.37 2a8t h GLU 197 Ca -0.50 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 57.59 2a8t h GLU 197 Cb 1.29 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.66 2a8t h GLU 197 CO 0.55 0.60 0.52 0.38 -1.18 0.00 0.00 179.01 179.88 2a8t h ASP 198 N 0.84 1.13 -0.57 1.04 3.04 -1.99 -1.68 116.42 118.23 2a8t h ASP 198 Ca 0.22 -0.09 -0.04 0.00 -3.24 0.00 0.00 57.03 53.88 2a8t h ASP 198 Cb -0.02 -0.29 -0.03 0.00 -1.04 0.00 0.00 39.33 37.95 2a8t h ASP 198 CO -0.04 0.90 0.21 1.56 -2.04 0.00 0.00 179.24 179.83 2a8t h GLN 199 N 1.28 0.91 -0.55 4.15 4.20 -1.80 -0.22 115.11 123.09 2a8t h GLN 199 Ca 0.32 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 2a8t h GLN 199 Cb 0.00 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 2a8t h GLN 199 CO -0.05 0.77 0.01 0.82 -0.67 0.00 0.00 178.83 179.71 2a8t h ILE 200 N 0.89 1.26 -0.58 2.54 2.04 -0.67 -1.14 117.51 121.84 2a8t h ILE 200 Ca 0.20 -1.09 -0.10 0.00 1.00 0.00 0.00 64.86 64.87 2a8t h ILE 200 Cb 0.22 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2a8t h ILE 200 CO -0.01 0.39 -0.04 1.56 0.00 0.00 0.00 178.15 180.04 2a8t h GLN 201 N 0.84 1.05 -0.40 2.37 1.08 -0.97 -1.42 115.11 117.66 2a8t h GLN 201 Ca 0.16 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 2a8t h GLN 201 Cb 0.52 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 2a8t h GLN 201 CO 0.03 1.05 0.20 1.49 -0.95 0.00 0.00 178.83 180.64 2a8t h GLU 202 N 0.95 0.57 -0.67 1.46 4.57 -0.93 -0.18 114.58 120.34 2a8t h GLU 202 Ca 0.16 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2a8t h GLU 202 Cb 0.60 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 2a8t h GLU 202 CO 0.04 0.49 0.36 0.28 -1.18 0.00 0.00 179.01 179.00 2a8t h VAL 203 N 0.51 1.21 -0.09 0.32 2.07 -1.04 -1.01 116.25 118.20 2a8t h VAL 203 Ca 0.14 -0.53 -0.21 0.00 0.82 0.00 0.00 66.70 66.92 2a8t h VAL 203 Cb 0.11 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2a8t h VAL 203 CO -0.02 0.23 -0.79 -0.07 0.02 0.00 0.00 177.57 176.94 2a8t h LEU 204 N 0.94 0.69 0.10 2.57 3.38 -0.93 -2.02 115.31 120.04 2a8t h LEU 204 Ca 0.24 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2a8t h LEU 204 Cb 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2a8t h LEU 204 CO -0.04 1.24 -0.05 0.11 0.09 0.00 0.00 178.44 179.80 2a8t h LYS 205 N 0.38 -0.13 -0.26 1.13 1.57 -0.86 -2.08 116.57 116.31 2a8t h LYS 205 Ca -0.05 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2a8t h LYS 205 Cb 1.40 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.72 2a8t h LYS 205 CO 0.15 -0.00 0.01 0.00 -0.57 0.00 0.00 179.45 179.04 2a8t h ALA 206 N 0.65 1.54 -0.31 3.86 0.00 -1.21 -2.04 119.26 121.74 2a8t h ALA 206 Ca -0.01 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2a8t h ALA 206 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2a8t h ALA 206 CO 0.02 0.34 -0.26 1.03 0.00 0.00 0.00 179.25 180.38 2a8t h SER 207 N 0.38 0.64 -0.02 0.00 0.87 -1.30 -3.47 113.55 110.63 2a8t h SER 207 Ca 0.09 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2a8t h SER 207 Cb 0.24 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2a8t h SER 207 CO 0.00 0.88 0.00 1.41 -0.53 0.00 0.00 176.83 178.59