#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1u s ARG 5 N 0.00 2.53 -0.08 3.23 3.52 -1.26 -0.39 118.95 126.49 2a1u s ARG 5 Ca 0.00 -0.86 0.04 0.00 -0.13 0.00 0.00 55.73 54.77 2a1u s ARG 5 Cb 0.00 -2.10 -0.01 0.00 -1.56 0.00 0.00 34.95 31.27 2a1u s ARG 5 CO 0.00 0.33 -0.20 0.08 -0.81 0.00 0.00 175.30 174.70 2a1u s VAL 6 N -0.06 2.45 -0.24 7.11 1.01 -0.46 -0.18 120.40 130.04 2a1u s VAL 6 Ca -0.06 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.94 2a1u s VAL 6 Cb -0.14 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2a1u s VAL 6 CO 0.04 0.56 0.09 -0.22 0.00 0.00 0.00 175.10 175.57 2a1u s LEU 7 N 0.00 3.59 -0.17 3.92 2.96 -0.66 -0.27 118.68 128.05 2a1u s LEU 7 Ca -0.07 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 2a1u s LEU 7 Cb -0.15 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 2a1u s LEU 7 CO 0.05 -0.01 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.28 2a1u s VAL 8 N 1.46 3.12 -0.22 1.68 1.01 0.17 -0.25 120.40 127.36 2a1u s VAL 8 Ca 0.06 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 2a1u s VAL 8 Cb -0.15 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2a1u s VAL 8 CO 0.05 0.49 0.51 0.00 0.00 0.00 0.00 175.10 176.14 2a1u s ALA 9 N 0.87 3.56 -0.06 5.51 0.00 -0.71 -0.64 121.76 130.31 2a1u s ALA 9 Ca -0.03 -0.49 0.06 0.00 0.00 0.00 0.00 51.96 51.50 2a1u s ALA 9 Cb -0.15 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 20.13 2a1u s ALA 9 CO 0.00 -0.55 -0.23 0.14 0.00 0.00 0.00 175.76 175.12 2a1u s VAL 10 N 1.88 1.91 -0.07 0.00 -7.23 0.45 -4.42 120.40 112.92 2a1u s VAL 10 Ca 0.22 -0.98 0.02 0.00 -1.81 0.00 0.00 61.98 59.43 2a1u s VAL 10 Cb -0.15 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 2a1u s VAL 10 CO 0.09 0.53 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.54 2a1u s LYS 11 N -0.09 2.76 -0.11 4.82 2.20 -1.26 -4.09 119.74 123.97 2a1u s LYS 11 Ca -0.04 -0.66 -0.23 0.00 -0.36 0.00 0.00 55.97 54.67 2a1u s LYS 11 Cb -0.13 -2.48 -0.03 0.00 -1.51 0.00 0.00 37.83 33.67 2a1u s LYS 11 CO 0.04 0.53 0.72 0.50 -0.36 0.00 0.00 175.35 176.78 2a1u s ARG 12 N -0.49 4.37 0.08 4.03 3.52 -1.26 -0.85 118.95 128.35 2a1u s ARG 12 Ca 0.06 0.87 -0.02 0.00 -0.13 0.00 0.00 55.73 56.52 2a1u s ARG 12 Cb -0.12 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 2a1u s ARG 12 CO 0.02 -0.09 0.02 0.14 -0.81 0.00 0.00 175.30 174.58 2a1u s VAL 13 N 1.32 0.17 0.22 7.11 -7.23 -0.73 -4.92 120.40 116.35 2a1u s VAL 13 Ca 0.36 -1.80 -0.32 0.00 -1.81 0.00 0.00 61.98 58.41 2a1u s VAL 13 Cb -0.17 -1.71 -0.13 0.00 0.56 0.00 0.00 36.38 34.93 2a1u s VAL 13 CO 0.15 -0.77 1.51 -0.38 -0.31 0.00 0.00 175.10 175.30 2a1u n ILE 14 N 0.02 0.63 -1.66 -0.62 5.41 -1.26 -0.98 119.36 120.90 2a1u n ILE 14 Ca -0.11 -0.16 -0.42 0.00 1.00 0.00 0.00 62.75 63.06 2a1u n ILE 14 Cb 0.62 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.94 2a1u n ILE 14 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2a1u n ASP 15 N 2.64 2.10 0.05 4.38 2.03 0.13 -4.73 116.55 123.15 2a1u n ASP 15 Ca 0.13 1.13 0.04 0.00 0.52 0.00 0.00 54.79 56.61 2a1u n ASP 15 Cb 0.32 -1.43 0.45 0.00 -0.72 0.00 0.00 41.12 39.74 2a1u n ASP 15 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2a1u h TYR 16 N 2.08 0.42 -0.00 -0.67 -0.00 -1.91 -2.27 116.97 114.61 2a1u h TYR 16 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.28 2a1u h TYR 16 Cb 1.31 -0.14 0.00 0.00 -0.00 0.00 0.00 36.73 37.90 2a1u h TYR 16 CO 0.48 0.29 -0.00 0.00 -0.00 0.00 0.00 178.16 178.93 2a1u n ALA 17 N -2.49 2.65 -1.76 0.10 0.00 -1.26 -4.89 120.51 112.87 2a1u n ALA 17 Ca 0.02 -0.20 -0.40 0.00 0.00 0.00 0.00 53.44 52.86 2a1u n ALA 17 Cb 0.09 -1.50 -0.06 0.00 0.00 0.00 0.00 19.45 17.99 2a1u n ALA 17 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2a1u s VAL 18 N -2.11 3.91 -0.37 0.00 1.01 -0.86 -5.03 120.40 116.96 2a1u s VAL 18 Ca 0.44 1.88 -0.22 0.00 0.00 0.00 0.00 61.98 64.08 2a1u s VAL 18 Cb 0.22 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.42 2a1u s VAL 18 CO 0.39 0.42 0.73 -0.75 0.00 0.00 0.00 175.10 175.88 2a1u s LYS 19 N -1.36 3.70 0.53 2.72 2.20 -1.26 -5.03 119.74 121.23 2a1u s LYS 19 Ca 0.43 0.18 -0.17 0.00 -0.36 0.00 0.00 55.97 56.06 2a1u s LYS 19 Cb -0.27 -3.82 -0.07 0.00 -1.51 0.00 0.00 37.83 32.16 2a1u s LYS 19 CO 0.34 -0.82 1.00 0.96 -0.36 0.00 0.00 175.35 176.47 2a1u s ILE 20 N 2.96 4.30 -0.09 5.43 -5.25 -1.26 -5.06 121.20 122.22 2a1u s ILE 20 Ca 0.29 1.14 0.03 0.00 -0.99 0.00 0.00 60.65 61.12 2a1u s ILE 20 Cb -0.14 -3.61 0.01 0.00 2.95 0.00 0.00 42.46 41.67 2a1u s ILE 20 CO 0.16 -0.59 -0.20 -0.13 -1.79 0.00 0.00 174.94 172.39 2a1u s ARG 21 N -3.97 2.58 0.09 0.37 0.52 -1.26 -5.05 118.95 112.23 2a1u s ARG 21 Ca 0.61 -0.71 -0.29 0.00 -0.52 0.00 0.00 55.73 54.82 2a1u s ARG 21 Cb -0.12 -2.01 -0.06 0.00 0.52 0.00 0.00 34.95 33.28 2a1u s ARG 21 CO 0.31 0.10 0.91 0.08 0.02 0.00 0.00 175.30 176.72 2a1u s VAL 22 N 0.53 4.57 0.37 3.52 1.01 -1.26 -0.13 120.40 129.02 2a1u s VAL 22 Ca -0.16 1.95 -0.26 0.00 0.00 0.00 0.00 61.98 63.51 2a1u s VAL 22 Cb -0.17 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 31.83 2a1u s VAL 22 CO 0.06 0.33 1.18 0.29 0.00 0.00 0.00 175.10 176.95 2a1u n LYS 23 N 2.82 1.79 -0.23 2.72 5.02 -0.38 -4.83 118.16 125.06 2a1u n LYS 23 Ca 0.01 0.63 0.07 0.00 -2.02 0.00 0.00 58.31 57.00 2a1u n LYS 23 Cb 0.49 -2.21 0.32 0.00 -0.02 0.00 0.00 35.03 33.62 2a1u n LYS 23 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2a1u h PRO 24 N 2.12 0.80 0.00 1.97 0.11 -1.96 -1.72 132.00 133.33 2a1u h PRO 24 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2a1u h PRO 24 Cb 1.31 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2a1u h PRO 24 CO 0.60 0.53 0.00 -0.40 -0.21 0.00 0.00 178.00 178.52 2a1u n ASP 25 N -4.50 0.00 -0.92 -2.05 5.68 -1.26 -4.89 116.55 108.62 2a1u n ASP 25 Ca 0.13 -0.02 -0.12 0.00 -0.50 0.00 0.00 54.79 54.28 2a1u n ASP 25 Cb 0.26 -0.21 -0.05 0.00 -1.14 0.00 0.00 41.12 39.98 2a1u n ASP 25 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2a1u n ARG 26 N -1.21 -0.89 0.00 0.11 1.74 -0.65 -4.89 116.66 110.88 2a1u n ARG 26 Ca 0.07 0.91 0.12 0.00 -0.77 0.00 0.00 57.85 58.18 2a1u n ARG 26 Cb 0.08 -4.94 0.24 0.00 -1.02 0.00 0.00 32.46 26.83 2a1u n ARG 26 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2a1u n THR 27 N -2.62 0.00 -1.60 0.55 -2.24 -1.26 -0.84 114.28 106.27 2a1u n THR 27 Ca -0.12 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2a1u n THR 27 Cb 0.41 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 2a1u n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a1u n GLY 28 N 1.47 -2.24 3.94 3.38 0.00 -1.26 -4.74 105.19 105.74 2a1u n GLY 28 Ca 0.06 -1.26 -0.25 0.00 0.00 0.00 0.00 46.02 44.57 2a1u n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2a1u s VAL 29 N -2.41 5.15 0.12 1.61 -7.23 -1.26 -1.26 120.40 115.13 2a1u s VAL 29 Ca 0.00 -0.45 -0.31 0.00 -1.81 0.00 0.00 61.98 59.41 2a1u s VAL 29 Cb 0.00 -3.80 -0.08 0.00 0.56 0.00 0.00 36.38 33.05 2a1u s VAL 29 CO 0.00 -0.36 1.46 -0.69 -0.31 0.00 0.00 175.10 175.19 2a1u s VAL 30 N -2.09 3.13 0.00 1.32 1.01 0.82 -4.76 120.40 119.83 2a1u s VAL 30 Ca 0.39 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.15 2a1u s VAL 30 Cb -0.10 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2a1u s VAL 30 CO 0.32 0.05 0.00 0.35 0.00 0.00 0.00 175.10 175.82 2a1u n THR 31 N 4.07 0.00 -1.83 3.92 -2.24 -1.26 -4.68 114.28 112.25 2a1u n THR 31 Ca 0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.48 2a1u n THR 31 Cb 0.41 -0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 67.91 2a1u n THR 31 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2a1u s ASP 32 N -2.45 6.52 0.00 3.42 2.15 -1.26 -2.14 116.67 122.91 2a1u s ASP 32 Ca 0.00 2.62 0.00 0.00 0.43 0.00 0.00 52.55 55.60 2a1u s ASP 32 Cb 0.00 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 2a1u s ASP 32 CO 0.00 -0.94 0.00 0.61 -0.17 0.00 0.00 175.17 174.67 2a1u n GLY 33 N 4.09 1.71 3.86 2.66 0.00 -1.26 -5.01 105.19 111.24 2a1u n GLY 33 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2a1u n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a1u s VAL 34 N -3.02 5.02 0.08 1.61 1.01 -0.91 -5.02 120.40 119.17 2a1u s VAL 34 Ca 0.00 0.55 -0.31 0.00 0.00 0.00 0.00 61.98 62.22 2a1u s VAL 34 Cb 0.00 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 2a1u s VAL 34 CO 0.00 0.25 1.73 -0.75 0.00 0.00 0.00 175.10 176.34 2a1u s LYS 35 N -1.98 4.17 0.15 2.72 2.20 -1.26 -4.95 119.74 120.79 2a1u s LYS 35 Ca 0.35 2.43 0.08 0.00 -0.36 0.00 0.00 55.97 58.47 2a1u s LYS 35 Cb -0.14 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 2a1u s LYS 35 CO 0.19 -0.79 -0.08 -1.01 -0.36 0.00 0.00 175.35 173.30 2a1u s HIS 36 N 2.86 2.71 0.28 4.03 3.76 -1.26 -0.69 115.29 126.99 2a1u s HIS 36 Ca 0.77 -0.18 -0.15 0.00 -0.15 0.00 0.00 55.06 55.35 2a1u s HIS 36 Cb -0.42 -1.35 0.01 0.00 1.11 0.00 0.00 32.58 31.93 2a1u s HIS 36 CO 0.34 0.48 0.60 -1.54 -0.85 0.00 0.00 174.74 173.78 2a1u s SER 37 N -2.65 -0.06 0.26 1.40 1.04 -0.15 -4.73 113.70 108.82 2a1u s SER 37 Ca 0.24 -0.89 -0.31 0.00 0.48 0.00 0.00 55.95 55.48 2a1u s SER 37 Cb -0.10 0.68 -0.11 0.00 0.10 0.00 0.00 66.02 66.59 2a1u s SER 37 CO 0.15 -1.30 1.62 -0.32 0.98 0.00 0.00 173.24 174.38 2a1u s MET 38 N -3.69 4.13 0.14 4.02 -2.45 -1.26 -1.77 119.30 118.43 2a1u s MET 38 Ca 0.18 2.56 -0.34 0.00 -1.25 0.00 0.00 55.69 56.84 2a1u s MET 38 Cb -0.03 -3.05 -0.15 0.00 1.25 0.00 0.00 34.83 32.85 2a1u s MET 38 CO 0.10 -0.66 1.49 -1.71 1.05 0.00 0.00 175.02 175.29 2a1u n ASN 39 N 2.80 2.63 0.08 1.11 5.15 -0.03 -4.84 115.26 122.16 2a1u n ASN 39 Ca 0.11 1.10 0.12 0.00 -0.60 0.00 0.00 54.58 55.31 2a1u n ASN 39 Cb 0.37 -1.36 0.60 0.00 -0.53 0.00 0.00 39.78 38.87 2a1u n ASN 39 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2a1u h PRO 40 N 5.38 0.15 -0.05 1.20 0.11 -1.91 -2.01 132.00 134.87 2a1u h PRO 40 Ca -0.46 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.49 2a1u h PRO 40 Cb 1.28 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2a1u h PRO 40 CO 0.84 0.10 -0.66 0.74 -0.21 0.00 0.00 178.00 178.81 2a1u h PHE 41 N 0.15 0.28 -0.61 0.65 0.04 -1.89 -2.55 116.94 113.01 2a1u h PHE 41 Ca 0.15 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 2a1u h PHE 41 Cb 0.42 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 2a1u h PHE 41 CO -0.00 0.81 0.22 0.00 -0.60 0.00 0.00 178.31 178.74 2a1u h GLU 43 N 0.86 0.55 -0.83 0.00 4.81 -1.21 0.30 114.58 119.06 2a1u h GLU 43 Ca 0.20 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2a1u h GLU 43 Cb 0.25 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 2a1u h GLU 43 CO -0.01 0.36 0.50 0.82 -0.73 0.00 0.00 179.01 179.95 2a1u h ILE 44 N 0.56 1.23 -0.80 2.32 2.04 -1.31 -1.09 117.51 120.47 2a1u h ILE 44 Ca 0.24 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2a1u h ILE 44 Cb 0.12 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 2a1u h ILE 44 CO -0.15 0.24 0.41 0.00 0.00 0.00 0.00 178.15 178.65 2a1u h ALA 45 N 1.27 1.03 -0.16 1.87 0.00 -0.64 -1.62 119.26 121.01 2a1u h ALA 45 Ca 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2a1u h ALA 45 Cb -0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 2a1u h ALA 45 CO -0.06 0.57 0.05 0.28 0.00 0.00 0.00 179.25 180.10 2a1u h VAL 46 N 1.13 1.18 -0.84 0.00 2.07 -0.69 -2.16 116.25 116.93 2a1u h VAL 46 Ca 0.28 -0.56 0.08 0.00 0.82 0.00 0.00 66.70 67.32 2a1u h VAL 46 Cb 0.08 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 2a1u h VAL 46 CO -0.04 0.17 0.49 -0.08 0.02 0.00 0.00 177.57 178.14 2a1u h GLU 47 N 0.09 0.83 -0.68 1.57 4.57 -1.06 -1.33 114.58 118.57 2a1u h GLU 47 Ca 0.05 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2a1u h GLU 47 Cb 0.22 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 2a1u h GLU 47 CO -0.00 0.55 0.14 1.49 -1.18 0.00 0.00 179.01 180.00 2a1u h GLU 48 N 0.86 1.11 -0.79 1.92 4.57 -1.22 -0.46 114.58 120.56 2a1u h GLU 48 Ca 0.39 -0.28 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 2a1u h GLU 48 Cb 0.29 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 2a1u h GLU 48 CO -0.22 1.00 0.32 0.00 -1.18 0.00 0.00 179.01 178.93 2a1u h ALA 49 N 1.09 1.06 -0.21 2.92 0.00 -0.77 -1.16 119.26 122.20 2a1u h ALA 49 Ca 0.21 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2a1u h ALA 49 Cb 0.41 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2a1u h ALA 49 CO 0.01 0.66 -0.53 0.28 0.00 0.00 0.00 179.25 179.67 2a1u h VAL 50 N 1.16 1.30 -0.41 0.00 2.07 -1.04 -1.97 116.25 117.36 2a1u h VAL 50 Ca 0.27 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 66.04 2a1u h VAL 50 Cb 0.21 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2a1u h VAL 50 CO -0.02 0.55 0.26 0.03 0.02 0.00 0.00 177.57 178.42 2a1u h ARG 51 N 0.45 0.55 -0.44 1.57 3.08 -0.81 -0.11 114.38 118.67 2a1u h ARG 51 Ca -0.01 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 2a1u h ARG 51 Cb 1.15 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 2a1u h ARG 51 CO 0.12 0.37 0.01 -0.07 -1.07 0.00 0.00 179.97 179.33 2a1u h LEU 52 N 0.56 0.75 -0.68 3.04 3.38 -0.87 -1.45 115.31 120.04 2a1u h LEU 52 Ca 0.15 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.86 2a1u h LEU 52 Cb -0.05 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 2a1u h LEU 52 CO -0.03 0.87 0.42 0.50 0.09 0.00 0.00 178.44 180.29 2a1u h LYS 53 N 0.61 0.78 -0.25 1.13 3.64 -0.79 -2.03 116.57 119.67 2a1u h LYS 53 Ca 0.13 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2a1u h LYS 53 Cb 0.48 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2a1u h LYS 53 CO 0.02 0.52 -0.19 0.93 -2.27 0.00 0.00 179.45 178.45 2a1u h GLU 54 N 0.80 0.44 0.00 1.90 5.08 -0.73 0.27 114.58 122.34 2a1u h GLU 54 Ca 0.28 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2a1u h GLU 54 Cb 0.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2a1u h GLU 54 CO -0.13 0.62 0.00 1.63 -1.00 0.00 0.00 179.01 180.13 2a1u n LYS 55 N -4.17 0.51 -2.96 2.33 5.02 -0.57 -4.87 118.16 113.45 2a1u n LYS 55 Ca -0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 2a1u n LYS 55 Cb 0.36 -1.32 0.01 0.00 -0.02 0.00 0.00 35.03 34.06 2a1u n LYS 55 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2a1u n LYS 56 N -0.82 -3.76 -0.00 1.97 5.02 0.94 -4.84 118.16 116.66 2a1u n LYS 56 Ca 0.08 0.77 0.07 0.00 -2.02 0.00 0.00 58.31 57.20 2a1u n LYS 56 Cb 0.04 -5.53 -0.09 0.00 -0.02 0.00 0.00 35.03 29.42 2a1u n LYS 56 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2a1u n LEU 57 N -3.67 0.41 -4.12 -0.35 4.77 -0.77 -4.92 117.00 108.34 2a1u n LEU 57 Ca -0.11 -0.32 -0.27 0.00 -0.03 0.00 0.00 56.01 55.28 2a1u n LEU 57 Cb 0.61 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.53 2a1u n LEU 57 CO 0.42 0.10 -0.50 -0.69 -1.33 0.00 0.00 177.39 175.39 2a1u s VAL 58 N -2.52 1.47 -0.09 4.08 1.01 -1.14 -3.52 120.40 119.70 2a1u s VAL 58 Ca 0.01 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 2a1u s VAL 58 Cb 0.10 -1.29 -0.28 0.00 0.00 0.00 0.00 36.38 34.91 2a1u s VAL 58 CO 0.56 0.43 0.51 0.50 0.00 0.00 0.00 175.10 177.09 2a1u h LYS 59 N 6.57 0.32 -3.26 2.72 1.63 -1.07 -3.38 116.57 120.09 2a1u h LYS 59 Ca -0.29 -0.54 -0.22 0.00 -0.85 0.00 0.00 60.65 58.75 2a1u h LYS 59 Cb 1.19 0.20 -0.29 0.00 -0.60 0.00 0.00 32.23 32.73 2a1u h LYS 59 CO 0.47 1.26 -0.56 -2.00 -3.45 0.00 0.00 179.45 175.18 2a1u s GLU 60 N -2.56 0.14 -0.21 1.90 2.12 -1.21 -5.06 118.70 113.83 2a1u s GLU 60 Ca -0.20 0.33 -0.00 0.00 0.36 0.00 0.00 54.97 55.47 2a1u s GLU 60 Cb 0.06 -0.07 0.02 0.00 0.26 0.00 0.00 34.13 34.40 2a1u s GLU 60 CO 0.80 -0.11 -0.13 0.08 -0.54 0.00 0.00 175.26 175.36 2a1u s VAL 61 N 0.77 2.46 -0.25 3.70 1.01 -1.26 -1.35 120.40 125.48 2a1u s VAL 61 Ca -0.06 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 2a1u s VAL 61 Cb -0.07 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 2a1u s VAL 61 CO -0.04 0.38 0.03 -0.63 0.00 0.00 0.00 175.10 174.84 2a1u s ILE 62 N 1.31 3.84 -0.09 2.22 1.01 0.62 -0.84 121.20 129.27 2a1u s ILE 62 Ca 0.02 -0.44 -0.17 0.00 0.00 0.00 0.00 60.65 60.06 2a1u s ILE 62 Cb -0.15 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 2a1u s ILE 62 CO -0.09 0.30 0.46 0.00 0.00 0.00 0.00 174.94 175.62 2a1u s ALA 63 N 1.53 3.52 -0.04 9.38 0.00 -0.39 -0.66 121.76 135.10 2a1u s ALA 63 Ca 0.05 -0.19 0.04 0.00 0.00 0.00 0.00 51.96 51.86 2a1u s ALA 63 Cb -0.15 -2.59 -0.00 0.00 0.00 0.00 0.00 23.12 20.37 2a1u s ALA 63 CO 0.01 0.10 -0.15 0.54 0.00 0.00 0.00 175.76 176.26 2a1u s VAL 64 N 0.25 1.23 -0.01 0.00 0.11 0.19 -0.11 120.40 122.06 2a1u s VAL 64 Ca 0.25 -0.61 0.05 0.00 -2.93 0.00 0.00 61.98 58.74 2a1u s VAL 64 Cb -0.15 -1.07 -0.01 0.00 -1.53 0.00 0.00 36.38 33.62 2a1u s VAL 64 CO 0.11 0.36 -0.15 -0.55 -3.33 0.00 0.00 175.10 171.54 2a1u s SER 65 N 0.07 1.80 -0.18 3.54 0.15 -0.89 -0.41 113.70 117.78 2a1u s SER 65 Ca -0.03 -0.28 -0.04 0.00 0.70 0.00 0.00 55.95 56.30 2a1u s SER 65 Cb -0.10 -0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 63.95 2a1u s SER 65 CO 0.02 0.18 -0.03 0.00 1.20 0.00 0.00 173.24 174.61 2a1u n GLY 67 N 3.96 0.60 3.63 0.00 0.00 -0.52 -4.92 105.19 107.93 2a1u n GLY 67 Ca -0.17 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 2a1u n GLY 67 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2a1u s PRO 68 N -2.00 -0.91 0.28 1.61 0.02 -1.14 -1.97 135.00 130.88 2a1u s PRO 68 Ca 0.00 -0.03 -0.02 0.00 0.02 0.00 0.00 61.00 60.97 2a1u s PRO 68 Cb 0.00 -1.63 0.62 0.00 0.02 0.00 0.00 34.50 33.51 2a1u s PRO 68 CO 0.00 -3.51 1.61 0.00 -0.33 0.00 0.00 177.00 174.77 2a1u h ALA 69 N -2.44 1.04 0.00 -1.55 0.00 -1.99 -1.79 119.26 112.53 2a1u h ALA 69 Ca -0.46 0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2a1u h ALA 69 Cb 1.29 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2a1u h ALA 69 CO 0.37 -0.49 0.00 1.04 0.00 0.00 0.00 179.25 180.17 2a1u n GLN 70 N -5.38 0.07 0.19 0.00 3.00 -1.26 -1.77 117.38 112.24 2a1u n GLN 70 Ca 0.19 0.51 0.10 0.00 -0.01 0.00 0.00 57.00 57.80 2a1u n GLN 70 Cb 0.63 -1.72 0.64 0.00 0.00 0.00 0.00 30.24 29.79 2a1u n GLN 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2a1u h GLN 72 N 0.03 0.60 -0.79 0.00 4.20 -1.56 0.23 115.11 117.82 2a1u h GLN 72 Ca 0.06 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2a1u h GLN 72 Cb 0.21 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 2a1u h GLN 72 CO -0.00 0.40 0.34 0.93 -0.67 0.00 0.00 178.83 179.82 2a1u h GLU 73 N 0.62 1.16 -0.58 1.46 5.08 -1.65 0.36 114.58 121.02 2a1u h GLU 73 Ca 0.53 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.63 2a1u h GLU 73 Cb 1.02 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2a1u h GLU 73 CO -0.28 0.92 0.11 1.15 -1.00 0.00 0.00 179.01 179.91 2a1u h THR 74 N 1.13 1.25 -0.32 1.13 2.02 -1.13 -0.20 112.91 116.79 2a1u h THR 74 Ca 0.27 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.44 2a1u h THR 74 Cb 0.17 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2a1u h THR 74 CO -0.03 0.35 -0.01 0.40 0.37 0.00 0.00 175.52 176.61 2a1u h ILE 75 N 0.86 1.26 -0.87 3.11 2.04 -0.84 -2.28 117.51 120.79 2a1u h ILE 75 Ca 0.18 -0.97 0.08 0.00 1.00 0.00 0.00 64.86 65.15 2a1u h ILE 75 Cb 0.39 1.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.66 2a1u h ILE 75 CO 0.01 0.32 0.53 0.03 0.00 0.00 0.00 178.15 179.03 2a1u h ARG 76 N 0.37 0.89 0.01 2.37 2.47 0.09 -0.52 114.38 120.07 2a1u h ARG 76 Ca 0.09 -0.05 0.02 0.00 -1.26 0.00 0.00 59.98 58.77 2a1u h ARG 76 Cb 0.46 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 2a1u h ARG 76 CO 0.02 0.59 -0.11 1.15 0.56 0.00 0.00 179.97 182.18 2a1u h THR 77 N 0.92 0.73 -0.80 2.04 2.02 -0.93 -0.65 112.91 116.24 2a1u h THR 77 Ca 0.40 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.68 2a1u h THR 77 Cb 0.28 0.73 -0.08 0.00 -1.74 0.00 0.00 68.15 67.34 2a1u h THR 77 CO -0.21 0.00 0.44 0.00 0.37 0.00 0.00 175.52 176.12 2a1u h ALA 78 N 0.77 1.14 -0.73 6.16 0.00 -0.83 -1.10 119.26 124.67 2a1u h ALA 78 Ca 0.04 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2a1u h ALA 78 Cb 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2a1u h ALA 78 CO -0.10 0.04 0.29 -0.07 0.00 0.00 0.00 179.25 179.41 2a1u h LEU 79 N 0.73 1.00 -1.23 0.00 3.38 -0.73 -1.81 115.31 116.65 2a1u h LEU 79 Ca 0.39 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 2a1u h LEU 79 Cb 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2a1u h LEU 79 CO -0.27 0.89 -0.05 0.00 0.09 0.00 0.00 178.44 179.11 2a1u h ALA 80 N 1.25 1.37 0.00 1.53 0.00 -0.48 -2.49 119.26 120.43 2a1u h ALA 80 Ca 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2a1u h ALA 80 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2a1u h ALA 80 CO -0.02 0.43 0.00 -1.33 0.00 0.00 0.00 179.25 178.33 2a1u n MET 81 N -4.26 0.22 0.00 0.00 2.81 -0.48 -4.68 117.12 110.72 2a1u n MET 81 Ca 0.01 0.30 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 2a1u n MET 81 Cb 0.26 -1.82 0.00 0.00 -0.71 0.00 0.00 33.22 30.95 2a1u n MET 81 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2a1u n GLY 82 N 0.68 0.24 3.76 3.03 0.00 -0.94 -4.95 105.19 107.02 2a1u n GLY 82 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2a1u n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1u s ALA 83 N -1.09 2.49 -0.13 4.61 0.00 -0.75 -4.90 121.76 121.99 2a1u s ALA 83 Ca 0.00 0.72 -0.17 0.00 0.00 0.00 0.00 51.96 52.52 2a1u s ALA 83 Cb 0.00 -3.37 -0.25 0.00 0.00 0.00 0.00 23.12 19.50 2a1u s ALA 83 CO 0.00 -1.21 0.47 -0.44 0.00 0.00 0.00 175.76 174.58 2a1u h ASP 84 N 0.40 0.28 -5.12 0.00 3.32 -1.30 -3.41 116.42 110.58 2a1u h ASP 84 Ca -0.48 -0.80 -0.04 0.00 0.02 0.00 0.00 57.03 55.73 2a1u h ASP 84 Cb 1.26 -0.09 -0.11 0.00 0.22 0.00 0.00 39.33 40.62 2a1u h ASP 84 CO 0.54 1.58 -0.05 0.00 -1.72 0.00 0.00 179.24 179.59 2a1u s ARG 85 N -2.44 1.30 0.18 3.56 1.70 -1.16 -4.53 118.95 117.56 2a1u s ARG 85 Ca -0.22 -0.91 0.10 0.00 -0.47 0.00 0.00 55.73 54.23 2a1u s ARG 85 Cb 0.04 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.87 2a1u s ARG 85 CO 0.72 -0.54 -0.21 0.20 -1.08 0.00 0.00 175.30 174.39 2a1u s GLY 86 N -2.89 1.54 -0.07 3.88 0.00 0.67 -1.26 107.32 109.20 2a1u s GLY 86 Ca 0.10 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.28 2a1u s GLY 86 CO -0.03 -1.59 -0.10 -0.42 0.00 0.00 0.00 173.10 170.96 2a1u s ILE 87 N -1.81 0.99 -0.34 0.90 1.01 0.84 -0.60 121.20 122.19 2a1u s ILE 87 Ca 0.18 -0.37 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 2a1u s ILE 87 Cb -0.07 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.48 2a1u s ILE 87 CO 0.08 0.33 0.15 -2.28 0.00 0.00 0.00 174.94 173.22 2a1u s HIS 88 N 0.93 3.22 -0.67 3.97 5.65 0.11 -2.09 115.29 126.41 2a1u s HIS 88 Ca -0.10 -1.00 -0.22 0.00 0.25 0.00 0.00 55.06 53.99 2a1u s HIS 88 Cb -0.15 -2.35 0.07 0.00 -1.18 0.00 0.00 32.58 28.97 2a1u s HIS 88 CO 0.01 -0.62 0.97 0.08 -0.65 0.00 0.00 174.74 174.52 2a1u s VAL 89 N 1.52 4.35 0.06 0.89 1.01 -0.43 -1.32 120.40 126.48 2a1u s VAL 89 Ca 0.02 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 2a1u s VAL 89 Cb -0.18 -4.69 -0.05 0.00 0.00 0.00 0.00 36.38 31.46 2a1u s VAL 89 CO 0.05 -1.45 0.95 -1.83 0.00 0.00 0.00 175.10 172.81 2a1u s GLU 90 N 3.98 4.63 -0.02 2.72 -1.05 0.55 -1.45 118.70 128.06 2a1u s GLU 90 Ca 0.22 1.40 0.02 0.00 -0.15 0.00 0.00 54.97 56.46 2a1u s GLU 90 Cb -0.17 -3.41 0.01 0.00 -0.44 0.00 0.00 34.13 30.12 2a1u s GLU 90 CO 0.09 0.12 -0.05 0.08 0.95 0.00 0.00 175.26 176.45 2a1u s VAL 91 N 0.39 0.50 0.64 1.83 1.01 -0.83 -4.35 120.40 119.58 2a1u s VAL 91 Ca 0.48 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 2a1u s VAL 91 Cb -0.22 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 2a1u s VAL 91 CO 0.28 0.18 1.25 -2.84 0.00 0.00 0.00 175.10 173.97 2a1u s PRO 92 N 0.36 2.66 0.26 2.72 0.02 -1.26 -2.89 135.00 136.86 2a1u s PRO 92 Ca -0.04 1.93 -0.02 0.00 0.02 0.00 0.00 61.00 62.89 2a1u s PRO 92 Cb -0.08 -1.88 0.55 0.00 0.02 0.00 0.00 34.50 33.11 2a1u s PRO 92 CO -0.00 -1.48 1.69 -1.35 -0.33 0.00 0.00 177.00 175.53 2a1u h PRO 93 N 0.56 0.31 -0.84 5.54 0.11 -1.98 0.38 132.00 136.07 2a1u h PRO 93 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2a1u h PRO 93 Cb 1.32 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 2a1u h PRO 93 CO 0.53 0.20 0.53 0.00 -0.21 0.00 0.00 178.00 179.06 2a1u h ALA 94 N 1.65 1.36 0.00 -0.75 0.00 -2.02 -2.34 119.26 117.16 2a1u h ALA 94 Ca 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2a1u h ALA 94 Cb 0.82 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2a1u h ALA 94 CO -0.52 0.57 -0.70 0.93 0.00 0.00 0.00 179.25 179.53 2a1u h GLU 95 N 1.14 0.00 0.00 0.00 5.08 -1.57 -3.26 114.58 115.98 2a1u h GLU 95 Ca 0.30 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.59 2a1u h GLU 95 Cb -0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2a1u h GLU 95 CO -0.06 0.00 -0.37 0.00 -1.00 0.00 0.00 179.01 177.58 2a1u h ALA 96 N 2.29 1.23 -0.05 3.43 0.00 -0.43 -2.50 119.26 123.23 2a1u h ALA 96 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2a1u h ALA 96 Cb 0.86 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2a1u h ALA 96 CO 0.00 0.46 -0.44 0.93 0.00 0.00 0.00 179.25 180.20 2a1u h GLU 97 N 0.00 0.11 -0.01 0.00 3.07 -1.56 -2.64 114.58 113.55 2a1u h GLU 97 Ca -0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2a1u h GLU 97 Cb 0.72 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2a1u h GLU 97 CO 0.05 0.53 -0.05 0.54 -1.40 0.00 0.00 179.01 178.68 2a1u n ARG 98 N -4.01 1.28 -2.65 2.33 1.74 -0.97 -4.89 116.66 109.49 2a1u n ARG 98 Ca -0.02 -0.60 -0.43 0.00 -0.77 0.00 0.00 57.85 56.03 2a1u n ARG 98 Cb 0.48 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.41 2a1u n ARG 98 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2a1u s LEU 99 N -2.13 4.08 0.48 0.55 2.96 -1.00 -4.97 118.68 118.65 2a1u s LEU 99 Ca 0.37 1.34 0.02 0.00 -0.22 0.00 0.00 54.13 55.64 2a1u s LEU 99 Cb 0.21 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.34 2a1u s LEU 99 CO 0.39 -0.70 0.05 -0.83 -1.32 0.00 0.00 176.35 173.93 2a1u s GLY 100 N 1.29 2.91 0.28 7.98 0.00 -1.26 -5.01 107.32 113.51 2a1u s GLY 100 Ca 0.44 -0.61 -0.01 0.00 0.00 0.00 0.00 44.72 44.54 2a1u s GLY 100 CO 0.08 -2.07 1.62 -2.55 0.00 0.00 0.00 173.10 170.18 2a1u h PRO 101 N 1.48 0.12 -0.49 2.90 0.11 -1.98 -1.16 132.00 132.99 2a1u h PRO 101 Ca -0.41 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.79 2a1u h PRO 101 Cb 1.30 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.30 2a1u h PRO 101 CO 0.67 0.08 -0.04 1.25 -0.21 0.00 0.00 178.00 179.75 2a1u h LEU 102 N 0.12 -0.30 -0.16 2.35 5.85 -1.96 0.39 115.31 121.60 2a1u h LEU 102 Ca 0.51 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 59.31 2a1u h LEU 102 Cb 0.99 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 2a1u h LEU 102 CO -0.72 -0.11 -0.08 1.56 -0.34 0.00 0.00 178.44 178.76 2a1u h GLN 103 N 0.07 0.34 -0.62 1.25 7.50 -1.73 -2.32 115.11 119.60 2a1u h GLN 103 Ca 0.24 -0.15 0.00 0.00 0.50 0.00 0.00 58.65 59.25 2a1u h GLN 103 Cb 0.37 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.86 2a1u h GLN 103 CO -0.44 0.65 0.39 0.28 -1.50 0.00 0.00 178.83 178.21 2a1u h VAL 104 N 0.01 1.17 -0.56 -0.54 2.07 -0.94 -1.59 116.25 115.87 2a1u h VAL 104 Ca 0.04 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 2a1u h VAL 104 Cb 0.55 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2a1u h VAL 104 CO 0.02 0.17 0.17 0.00 0.02 0.00 0.00 177.57 177.95 2a1u h ALA 105 N 1.21 1.24 -0.26 1.67 0.00 -0.18 0.67 119.26 123.62 2a1u h ALA 105 Ca 0.22 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2a1u h ALA 105 Cb -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2a1u h ALA 105 CO -0.05 0.53 -0.00 0.00 0.00 0.00 0.00 179.25 179.74 2a1u h ARG 106 N 0.82 0.46 -0.11 0.00 3.08 -0.95 -1.30 114.38 116.38 2a1u h ARG 106 Ca 0.18 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.10 2a1u h ARG 106 Cb 0.25 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2a1u h ARG 106 CO -0.01 0.63 0.01 0.28 -1.07 0.00 0.00 179.97 179.82 2a1u h VAL 107 N 0.24 0.94 -0.86 2.04 2.07 -0.88 -2.31 116.25 117.50 2a1u h VAL 107 Ca 0.07 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2a1u h VAL 107 Cb 0.42 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2a1u h VAL 107 CO 0.01 0.01 0.51 -0.07 0.02 0.00 0.00 177.57 178.05 2a1u h LEU 108 N 0.06 1.03 -0.68 2.57 3.38 -0.78 -0.85 115.31 120.05 2a1u h LEU 108 Ca 0.05 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2a1u h LEU 108 Cb 0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2a1u h LEU 108 CO -0.07 0.80 0.14 0.00 0.09 0.00 0.00 178.44 179.40 2a1u h ALA 109 N 1.38 0.90 -0.13 1.53 0.00 -1.08 0.28 119.26 122.13 2a1u h ALA 109 Ca 0.31 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2a1u h ALA 109 Cb -0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2a1u h ALA 109 CO -0.06 0.64 0.01 0.87 0.00 0.00 0.00 179.25 180.71 2a1u h LYS 110 N 1.03 0.23 -0.70 0.00 1.79 -0.88 -2.20 116.57 115.85 2a1u h LYS 110 Ca 0.21 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2a1u h LYS 110 Cb 0.40 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.99 2a1u h LYS 110 CO 0.01 0.45 0.45 -0.07 -1.08 0.00 0.00 179.45 179.21 2a1u h LEU 111 N -0.02 0.81 -0.49 2.94 3.38 -1.04 0.25 115.31 121.13 2a1u h LEU 111 Ca 0.04 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2a1u h LEU 111 Cb 0.35 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 2a1u h LEU 111 CO 0.01 0.60 0.08 0.00 0.09 0.00 0.00 178.44 179.22 2a1u h ALA 112 N 1.24 0.54 -0.09 1.53 0.00 -0.32 0.12 119.26 122.27 2a1u h ALA 112 Ca 0.25 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2a1u h ALA 112 Cb -0.09 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2a1u h ALA 112 CO -0.05 -0.32 -0.05 0.93 0.00 0.00 0.00 179.25 179.75 2a1u h GLU 113 N 0.22 0.20 -0.88 0.00 5.08 -1.23 -1.75 114.58 116.21 2a1u h GLU 113 Ca 0.25 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 2a1u h GLU 113 Cb 0.34 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 2a1u h GLU 113 CO -0.33 0.57 0.55 -0.22 -1.00 0.00 0.00 179.01 178.58 2a1u h LYS 114 N -0.18 0.98 -0.66 2.33 3.64 -0.17 -2.90 116.57 119.62 2a1u h LYS 114 Ca 0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2a1u h LYS 114 Cb 0.51 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2a1u h LYS 114 CO 0.01 0.65 0.00 0.39 -2.27 0.00 0.00 179.45 178.23 2a1u n GLU 115 N -4.60 2.73 -3.65 1.90 -0.58 0.38 -4.96 120.64 111.86 2a1u n GLU 115 Ca 0.13 -2.55 -0.27 0.00 -0.42 0.00 0.00 57.16 54.06 2a1u n GLU 115 Cb 0.17 -1.52 0.04 0.00 -0.57 0.00 0.00 31.44 29.56 2a1u n GLU 115 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2a1u n LYS 116 N 1.46 -2.30 -3.53 3.49 4.01 -0.99 -4.97 118.16 115.33 2a1u n LYS 116 Ca 0.22 0.54 -0.30 0.00 -0.51 0.00 0.00 58.31 58.26 2a1u n LYS 116 Cb 0.59 -4.61 -0.04 0.00 -0.51 0.00 0.00 35.03 30.45 2a1u n LYS 116 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2a1u s VAL 117 N -3.54 5.08 -0.08 -0.18 -7.23 -0.69 -4.75 120.40 108.99 2a1u s VAL 117 Ca 0.33 0.09 0.22 0.00 -1.81 0.00 0.00 61.98 60.81 2a1u s VAL 117 Cb -0.10 -3.66 -0.26 0.00 0.56 0.00 0.00 36.38 32.92 2a1u s VAL 117 CO 0.84 -0.11 0.62 0.47 -0.31 0.00 0.00 175.10 176.61 2a1u n ASP 118 N -0.33 0.21 -3.69 4.85 8.00 0.75 -4.92 116.55 121.42 2a1u n ASP 118 Ca -0.02 0.08 -0.11 0.00 0.71 0.00 0.00 54.79 55.46 2a1u n ASP 118 Cb 0.53 1.61 -0.11 0.00 -0.02 0.00 0.00 41.12 43.12 2a1u n ASP 118 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2a1u s LEU 119 N -4.73 -0.07 -0.26 0.64 2.96 -1.13 -1.86 118.68 114.23 2a1u s LEU 119 Ca -0.06 0.79 -0.09 0.00 -0.22 0.00 0.00 54.13 54.54 2a1u s LEU 119 Cb 0.13 1.14 -0.04 0.00 0.50 0.00 0.00 46.19 47.91 2a1u s LEU 119 CO 0.88 -0.20 0.14 -0.69 -1.32 0.00 0.00 176.35 175.16 2a1u s VAL 120 N 1.64 4.96 -0.15 1.68 1.01 -0.30 -1.65 120.40 127.58 2a1u s VAL 120 Ca -0.07 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 2a1u s VAL 120 Cb -0.10 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2a1u s VAL 120 CO -0.11 0.31 0.04 -0.76 0.00 0.00 0.00 175.10 174.58 2a1u s LEU 121 N 1.49 3.74 0.20 3.92 1.43 0.65 -0.81 118.68 129.31 2a1u s LEU 121 Ca 0.06 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 2a1u s LEU 121 Cb -0.15 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 2a1u s LEU 121 CO 0.07 0.24 0.07 -0.76 0.23 0.00 0.00 176.35 176.20 2a1u s LEU 122 N -0.05 1.70 0.61 1.79 1.02 -0.18 -1.73 118.68 121.84 2a1u s LEU 122 Ca 0.05 -1.30 -0.14 0.00 0.02 0.00 0.00 54.13 52.76 2a1u s LEU 122 Cb -0.12 0.11 -0.03 0.00 0.02 0.00 0.00 46.19 46.17 2a1u s LEU 122 CO 0.01 -0.71 1.05 -0.83 0.02 0.00 0.00 176.35 175.90 2a1u s GLY 123 N -3.21 1.97 0.44 -3.19 0.00 -1.25 -0.23 107.32 101.85 2a1u s GLY 123 Ca 0.32 0.26 0.24 0.00 0.00 0.00 0.00 44.72 45.54 2a1u s GLY 123 CO 0.09 0.57 1.84 0.07 0.00 0.00 0.00 173.10 175.67 2a1u h LYS 124 N 0.14 0.00 -2.67 2.90 2.10 -1.57 -3.40 116.57 114.07 2a1u h LYS 124 Ca -0.46 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.21 2a1u h LYS 124 Cb 1.21 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.40 2a1u h LYS 124 CO 0.58 0.23 0.30 1.14 -2.00 0.00 0.00 179.45 179.70 2a1u s GLN 125 N -3.71 1.11 -0.10 0.07 -2.07 -1.26 -4.13 119.66 109.57 2a1u s GLN 125 Ca 0.00 -0.34 -0.11 0.00 -1.82 0.00 0.00 55.36 53.10 2a1u s GLN 125 Cb 0.11 0.51 -0.05 0.00 -1.09 0.00 0.00 33.01 32.49 2a1u s GLN 125 CO 0.64 -0.47 0.24 0.00 -1.32 0.00 0.00 175.29 174.38 2a1u s ALA 126 N -3.26 3.76 -1.25 2.60 0.00 -1.26 -4.51 121.76 117.84 2a1u s ALA 126 Ca 0.01 -0.49 0.27 0.00 0.00 0.00 0.00 51.96 51.75 2a1u s ALA 126 Cb -0.01 -2.19 1.28 0.00 0.00 0.00 0.00 23.12 22.21 2a1u s ALA 126 CO -0.09 0.44 1.90 0.44 0.00 0.00 0.00 175.76 178.45 2a1u n ILE 127 N 2.39 0.13 -0.02 0.00 -5.35 -1.26 -0.35 119.36 114.91 2a1u n ILE 127 Ca -0.16 0.03 -0.01 0.00 -0.27 0.00 0.00 62.75 62.34 2a1u n ILE 127 Cb 0.53 -0.58 -0.00 0.00 -1.74 0.00 0.00 39.64 37.85 2a1u n ILE 127 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2a1u n ASP 128 N -1.37 0.40 0.23 7.28 5.68 -1.26 -4.56 116.55 122.94 2a1u n ASP 128 Ca 0.10 0.33 0.14 0.00 -0.50 0.00 0.00 54.79 54.87 2a1u n ASP 128 Cb 0.26 -0.58 0.45 0.00 -1.14 0.00 0.00 41.12 40.10 2a1u n ASP 128 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2a1u h ASP 129 N -0.22 0.00 -4.36 -1.12 3.04 -2.01 -3.47 116.42 108.29 2a1u h ASP 129 Ca 0.00 0.00 -0.35 0.00 -3.24 0.00 0.00 57.03 53.44 2a1u h ASP 129 Cb 0.11 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.39 2a1u h ASP 129 CO 0.00 0.00 -0.50 0.47 -2.04 0.00 0.00 179.24 177.17 2a1u n ASP 130 N -2.96 -4.75 -0.03 4.15 8.00 0.53 -4.87 116.55 116.62 2a1u n ASP 130 Ca 0.02 -0.14 -0.15 0.00 0.71 0.00 0.00 54.79 55.24 2a1u n ASP 130 Cb 0.40 -3.93 -0.11 0.00 -0.02 0.00 0.00 41.12 37.46 2a1u n ASP 130 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a1u n ASN 132 N -4.49 -6.09 0.00 0.00 4.05 -1.26 -4.94 115.26 102.53 2a1u n ASN 132 Ca -0.09 -0.80 0.00 0.00 0.45 0.00 0.00 54.58 54.13 2a1u n ASN 132 Cb 0.50 -4.23 0.00 0.00 1.23 0.00 0.00 39.78 37.27 2a1u n ASN 132 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2a1u n GLN 133 N -3.52 0.08 -0.04 1.20 6.02 -1.26 -4.95 117.38 114.91 2a1u n GLN 133 Ca -0.08 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.83 2a1u n GLN 133 Cb 0.60 -0.56 -0.02 0.00 1.02 0.00 0.00 30.24 31.27 2a1u n GLN 133 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2a1u h THR 134 N 0.00 0.72 -0.07 5.09 2.02 -1.90 -1.06 112.91 117.71 2a1u h THR 134 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 2a1u h THR 134 Cb 0.12 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 2a1u h THR 134 CO 0.00 0.00 -0.08 1.23 0.37 0.00 0.00 175.52 177.04 2a1u h GLY 135 N -0.06 -0.02 0.59 2.16 0.00 -1.92 0.11 103.07 103.94 2a1u h GLY 135 Ca 0.11 0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.59 2a1u h GLY 135 CO -0.24 -0.09 0.20 1.46 0.00 0.00 0.00 176.54 177.87 2a1u h GLN 136 N -0.10 0.38 -0.53 4.80 7.50 -1.87 -0.59 115.11 124.70 2a1u h GLN 136 Ca 0.06 -0.02 -0.09 0.00 0.50 0.00 0.00 58.65 59.09 2a1u h GLN 136 Cb 0.18 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.61 2a1u h GLN 136 CO -0.13 0.25 -0.02 0.52 -1.50 0.00 0.00 178.83 177.95 2a1u h MET 137 N 0.39 0.95 0.45 1.46 2.86 -0.91 -1.36 114.93 118.76 2a1u h MET 137 Ca 0.23 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2a1u h MET 137 Cb 0.21 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 2a1u h MET 137 CO -0.21 0.97 -0.25 1.15 1.06 0.00 0.00 176.91 179.62 2a1u h THR 138 N 0.82 0.47 -0.70 2.22 2.02 -0.47 -0.38 112.91 116.89 2a1u h THR 138 Ca 0.15 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.48 2a1u h THR 138 Cb 0.56 0.47 -0.12 0.00 -1.74 0.00 0.00 68.15 67.32 2a1u h THR 138 CO 0.03 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.90 2a1u h ALA 139 N -0.13 0.69 -0.63 6.16 0.00 -1.13 -1.58 119.26 122.64 2a1u h ALA 139 Ca -0.05 0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2a1u h ALA 139 Cb 0.53 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2a1u h ALA 139 CO 0.07 -0.41 0.40 0.78 0.00 0.00 0.00 179.25 180.09 2a1u h GLY 140 N 0.09 0.89 1.52 0.00 0.00 -0.59 0.47 103.07 105.45 2a1u h GLY 140 Ca 0.37 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 2a1u h GLY 140 CO -0.63 0.29 -0.22 0.74 0.00 0.00 0.00 176.54 176.71 2a1u h PHE 141 N 0.81 0.63 0.00 5.60 0.04 -0.63 -3.04 116.94 120.35 2a1u h PHE 141 Ca 0.24 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.88 2a1u h PHE 141 Cb -0.04 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 37.96 2a1u h PHE 141 CO -0.04 0.74 -0.14 -0.07 -0.60 0.00 0.00 178.31 178.20 2a1u h LEU 142 N 0.50 0.00 -1.05 1.54 3.38 -0.99 -3.47 115.31 115.21 2a1u h LEU 142 Ca 0.07 -0.04 -0.42 0.00 0.09 0.00 0.00 57.88 57.59 2a1u h LEU 142 Cb 0.66 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.49 2a1u h LEU 142 CO 0.05 0.02 -0.73 0.47 0.09 0.00 0.00 178.44 178.34 2a1u n ASP 143 N -2.30 -5.03 -4.80 -0.43 8.00 -0.04 -5.03 116.55 106.91 2a1u n ASP 143 Ca 0.05 -0.64 -0.26 0.00 0.71 0.00 0.00 54.79 54.65 2a1u n ASP 143 Cb 0.44 -4.63 -0.05 0.00 -0.02 0.00 0.00 41.12 36.86 2a1u n ASP 143 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2a1u s TRP 144 N -3.35 3.15 0.62 1.24 0.52 -0.10 -5.03 118.94 115.99 2a1u s TRP 144 Ca 0.50 -0.03 -0.17 0.00 0.02 0.00 0.00 56.10 56.43 2a1u s TRP 144 Cb -0.23 -1.50 -0.02 0.00 -1.15 0.00 0.00 33.47 30.57 2a1u s TRP 144 CO 0.77 0.52 1.13 -1.25 0.02 0.00 0.00 176.95 178.13 2a1u s PRO 145 N -3.19 2.95 -0.03 4.98 0.04 -1.26 -4.55 135.00 133.94 2a1u s PRO 145 Ca 0.31 1.50 0.07 0.00 0.04 0.00 0.00 61.00 62.92 2a1u s PRO 145 Cb -0.10 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2a1u s PRO 145 CO 0.24 -1.15 -0.23 1.14 0.04 0.00 0.00 177.00 177.03 2a1u s GLN 146 N -3.79 2.21 -0.45 4.56 -2.07 -1.26 -1.70 119.66 117.16 2a1u s GLN 146 Ca 0.70 -0.88 0.03 0.00 -1.82 0.00 0.00 55.36 53.38 2a1u s GLN 146 Cb -0.22 -2.12 0.13 0.00 -1.09 0.00 0.00 33.01 29.71 2a1u s GLN 146 CO 0.37 0.57 0.22 0.20 -1.32 0.00 0.00 175.29 175.32 2a1u s GLY 147 N -0.62 1.90 0.30 2.60 0.00 -0.41 -5.00 107.32 106.09 2a1u s GLY 147 Ca 0.10 -2.73 -0.07 0.00 0.00 0.00 0.00 44.72 42.01 2a1u s GLY 147 CO -0.01 1.32 0.60 -0.51 0.00 0.00 0.00 173.10 174.51 2a1u s THR 148 N 0.30 4.95 -1.37 0.90 -4.23 -1.26 -2.02 115.64 112.91 2a1u s THR 148 Ca 0.16 0.28 -0.09 0.00 -1.18 0.00 0.00 61.69 60.86 2a1u s THR 148 Cb -0.24 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 69.92 2a1u s THR 148 CO -0.03 -0.30 1.15 0.49 -0.54 0.00 0.00 174.62 175.39 2a1u n PHE 149 N -0.82 -2.77 -2.09 3.99 3.72 -0.59 -4.53 117.46 114.38 2a1u n PHE 149 Ca -0.00 1.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.98 2a1u n PHE 149 Cb 0.54 -4.91 -0.02 0.00 -0.94 0.00 0.00 39.48 34.14 2a1u n PHE 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2a1u s ALA 150 N -3.32 3.56 -0.09 4.37 0.00 0.05 -1.03 121.76 125.30 2a1u s ALA 150 Ca 0.55 1.26 0.03 0.00 0.00 0.00 0.00 51.96 53.81 2a1u s ALA 150 Cb -0.25 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 2a1u s ALA 150 CO 0.74 -0.66 0.11 -1.13 0.00 0.00 0.00 175.76 174.82 2a1u n SER 151 N 1.80 1.90 -3.76 0.00 3.41 0.11 -0.80 113.62 116.28 2a1u n SER 151 Ca 0.04 -0.33 -0.13 0.00 -0.26 0.00 0.00 58.87 58.19 2a1u n SER 151 Cb 0.41 1.06 -0.11 0.00 -0.26 0.00 0.00 64.21 65.32 2a1u n SER 151 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2a1u s GLN 152 N -1.69 0.37 -0.05 4.33 0.74 -1.15 -4.23 119.66 117.98 2a1u s GLN 152 Ca 0.00 0.46 0.03 0.00 0.05 0.00 0.00 55.36 55.90 2a1u s GLN 152 Cb 0.02 0.17 0.01 0.00 1.10 0.00 0.00 33.01 34.30 2a1u s GLN 152 CO 0.13 -0.05 -0.14 0.08 -0.55 0.00 0.00 175.29 174.76 2a1u s VAL 153 N 0.25 1.23 -0.10 1.34 1.01 -1.26 -1.29 120.40 121.57 2a1u s VAL 153 Ca -0.01 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 2a1u s VAL 153 Cb -0.03 -1.09 0.04 0.00 0.00 0.00 0.00 36.38 35.30 2a1u s VAL 153 CO -0.00 0.37 0.02 -0.89 0.00 0.00 0.00 175.10 174.60 2a1u s THR 154 N 0.36 0.33 -0.12 3.92 2.01 0.24 -5.01 115.64 117.37 2a1u s THR 154 Ca -0.09 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.60 2a1u s THR 154 Cb -0.13 -0.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 2a1u s THR 154 CO 0.03 0.12 1.07 -0.76 -0.69 0.00 0.00 174.62 174.39 2a1u s LEU 155 N 1.98 4.23 -0.59 4.42 1.43 -1.26 -0.25 118.68 128.64 2a1u s LEU 155 Ca 0.04 1.58 0.06 0.00 -1.03 0.00 0.00 54.13 54.78 2a1u s LEU 155 Cb -0.13 -3.55 0.27 0.00 0.03 0.00 0.00 46.19 42.81 2a1u s LEU 155 CO -0.06 -0.53 0.77 -0.62 0.23 0.00 0.00 176.35 176.14 2a1u n GLU 156 N 5.35 2.46 0.00 1.70 1.02 0.29 -4.96 120.64 126.50 2a1u n GLU 156 Ca 0.10 -4.53 0.00 0.00 -0.02 0.00 0.00 57.16 52.71 2a1u n GLU 156 Cb 0.47 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 2a1u n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a1u n GLY 157 N 0.63 1.58 1.88 0.62 0.00 -1.26 -2.76 105.19 105.88 2a1u n GLY 157 Ca 0.29 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.23 2a1u n GLY 157 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2a1u n ASP 158 N 10.49 5.18 -4.09 1.61 5.75 -1.26 -4.96 116.55 129.28 2a1u n ASP 158 Ca 0.00 -3.10 -0.11 0.00 -0.01 0.00 0.00 54.79 51.57 2a1u n ASP 158 Cb 0.00 -0.71 -0.11 0.00 -1.03 0.00 0.00 41.12 39.27 2a1u n ASP 158 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2a1u s LYS 159 N -2.90 0.60 -0.11 0.11 -0.14 -1.11 -1.79 119.74 114.40 2a1u s LYS 159 Ca 0.54 -0.96 0.04 0.00 -1.36 0.00 0.00 55.97 54.23 2a1u s LYS 159 Cb 0.43 -0.15 0.00 0.00 -1.68 0.00 0.00 37.83 36.43 2a1u s LYS 159 CO 0.14 -0.00 -0.23 -0.51 -0.76 0.00 0.00 175.35 173.99 2a1u s LEU 160 N -2.15 2.13 -0.25 3.17 1.43 0.61 0.10 118.68 123.72 2a1u s LEU 160 Ca -0.02 -0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 52.43 2a1u s LEU 160 Cb -0.03 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 2a1u s LEU 160 CO -0.03 0.15 0.13 -0.75 0.23 0.00 0.00 176.35 176.08 2a1u s LYS 161 N 0.43 3.88 -0.12 1.70 2.20 0.66 0.14 119.74 128.62 2a1u s LYS 161 Ca -0.16 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.09 2a1u s LYS 161 Cb -0.17 -3.47 0.02 0.00 -1.51 0.00 0.00 37.83 32.70 2a1u s LYS 161 CO 0.07 -0.08 -0.16 0.08 -0.36 0.00 0.00 175.35 174.90 2a1u s VAL 162 N 1.40 1.57 -0.13 4.02 1.01 -0.43 -0.59 120.40 127.24 2a1u s VAL 162 Ca 0.06 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 2a1u s VAL 162 Cb -0.15 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2a1u s VAL 162 CO 0.06 0.46 0.49 -1.61 0.00 0.00 0.00 175.10 174.49 2a1u s GLU 163 N 1.11 4.32 0.10 2.72 2.02 -0.42 -1.51 118.70 127.04 2a1u s GLU 163 Ca -0.03 0.45 0.10 0.00 0.02 0.00 0.00 54.97 55.51 2a1u s GLU 163 Cb -0.14 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 2a1u s GLU 163 CO -0.04 0.12 -0.26 1.03 0.02 0.00 0.00 175.26 176.13 2a1u s ARG 164 N 0.75 1.52 -0.10 1.61 0.52 0.55 -0.71 118.95 123.09 2a1u s ARG 164 Ca 0.26 -1.25 -0.27 0.00 -0.52 0.00 0.00 55.73 53.95 2a1u s ARG 164 Cb -0.15 -1.89 -0.02 0.00 0.52 0.00 0.00 34.95 33.41 2a1u s ARG 164 CO 0.10 0.46 0.91 0.00 0.02 0.00 0.00 175.30 176.79 2a1u s ALA 165 N -0.97 3.39 0.38 2.13 0.00 -0.20 -1.85 121.76 124.63 2a1u s ALA 165 Ca 0.13 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.39 2a1u s ALA 165 Cb -0.10 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 2a1u s ALA 165 CO 0.04 -0.48 0.07 0.96 0.00 0.00 0.00 175.76 176.35 2a1u s ILE 166 N 1.70 1.06 0.29 0.00 -4.36 -0.51 -4.87 121.20 114.51 2a1u s ILE 166 Ca 0.44 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.83 2a1u s ILE 166 Cb -0.18 -2.59 0.17 0.00 1.25 0.00 0.00 42.46 41.11 2a1u s ILE 166 CO 0.18 0.00 1.86 0.44 0.24 0.00 0.00 174.94 177.66 2a1u h ASP 167 N 1.90 0.77 0.03 4.36 3.32 -1.99 -2.88 116.42 121.92 2a1u h ASP 167 Ca -0.40 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2a1u h ASP 167 Cb 1.26 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2a1u h ASP 167 CO 0.67 0.72 -0.03 0.61 -1.72 0.00 0.00 179.24 179.49 2a1u n GLY 168 N -0.97 -0.27 0.00 2.75 0.00 -1.26 -5.01 105.19 100.43 2a1u n GLY 168 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2a1u n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a1u n GLY 169 N 1.16 0.23 3.33 -0.02 0.00 -1.09 -5.13 105.19 103.67 2a1u n GLY 169 Ca 0.19 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 2a1u n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a1u s LEU 170 N 0.00 2.53 0.05 0.99 1.43 -1.26 -1.42 118.68 121.00 2a1u s LEU 170 Ca 0.00 -0.98 -0.01 0.00 -1.03 0.00 0.00 54.13 52.11 2a1u s LEU 170 Cb 0.00 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 2a1u s LEU 170 CO 0.00 -0.16 -0.02 -1.83 0.23 0.00 0.00 176.35 174.57 2a1u s GLU 171 N -3.45 0.62 -0.09 1.70 -1.05 -0.77 -4.89 118.70 110.77 2a1u s GLU 171 Ca 0.20 -1.19 0.05 0.00 -0.15 0.00 0.00 54.97 53.87 2a1u s GLU 171 Cb -0.02 0.21 -0.00 0.00 -0.44 0.00 0.00 34.13 33.89 2a1u s GLU 171 CO 0.06 -0.12 -0.24 0.99 0.95 0.00 0.00 175.26 176.91 2a1u s THR 172 N -3.86 2.01 0.26 1.83 2.01 -1.26 -0.33 115.64 116.30 2a1u s THR 172 Ca 0.06 -1.01 0.11 0.00 0.31 0.00 0.00 61.69 61.16 2a1u s THR 172 Cb 0.07 -1.73 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 2a1u s THR 172 CO -0.10 0.55 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.45 2a1u s LEU 173 N 0.19 2.58 -0.16 4.42 1.43 -0.57 -4.99 118.68 121.59 2a1u s LEU 173 Ca -0.14 -1.03 0.02 0.00 -1.03 0.00 0.00 54.13 51.94 2a1u s LEU 173 Cb -0.17 -0.96 0.01 0.00 0.03 0.00 0.00 46.19 45.11 2a1u s LEU 173 CO 0.07 -0.04 -0.20 -0.60 0.23 0.00 0.00 176.35 175.81 2a1u s ARG 174 N -3.56 3.03 -0.09 1.70 3.52 -1.26 -1.32 118.95 120.98 2a1u s ARG 174 Ca 0.28 -0.83 -0.01 0.00 -0.13 0.00 0.00 55.73 55.04 2a1u s ARG 174 Cb -0.03 -2.52 -0.03 0.00 -1.56 0.00 0.00 34.95 30.80 2a1u s ARG 174 CO 0.12 -0.10 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.98 2a1u s LEU 175 N 1.03 3.39 0.04 -0.88 1.43 0.12 -4.93 118.68 118.88 2a1u s LEU 175 Ca -0.01 0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 2a1u s LEU 175 Cb -0.14 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 2a1u s LEU 175 CO -0.06 0.33 1.19 -0.75 0.23 0.00 0.00 176.35 177.29 2a1u s LYS 176 N -0.62 4.43 0.45 1.70 2.20 -1.26 -0.28 119.74 126.36 2a1u s LYS 176 Ca 0.10 1.74 -0.23 0.00 -0.36 0.00 0.00 55.97 57.22 2a1u s LYS 176 Cb -0.12 -3.38 -0.08 0.00 -1.51 0.00 0.00 37.83 32.74 2a1u s LYS 176 CO 0.02 -0.27 1.13 -0.51 -0.36 0.00 0.00 175.35 175.36 2a1u s LEU 177 N 1.22 4.02 0.43 5.43 1.43 -0.74 -4.28 118.68 126.18 2a1u s LEU 177 Ca 0.58 2.22 -0.22 0.00 -1.03 0.00 0.00 54.13 55.68 2a1u s LEU 177 Cb -0.28 -4.27 -0.10 0.00 0.03 0.00 0.00 46.19 41.57 2a1u s LEU 177 CO 0.28 -0.83 0.99 -2.16 0.23 0.00 0.00 176.35 174.87 2a1u s PRO 178 N -2.72 4.13 0.09 1.29 0.04 -1.26 -4.99 135.00 131.58 2a1u s PRO 178 Ca 0.63 1.29 -0.05 0.00 0.04 0.00 0.00 61.00 62.91 2a1u s PRO 178 Cb -0.26 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 2a1u s PRO 178 CO 0.32 -0.14 0.10 0.00 0.04 0.00 0.00 177.00 177.31 2a1u s ALA 179 N -1.96 0.26 -0.04 8.56 0.00 -0.78 -4.21 121.76 123.59 2a1u s ALA 179 Ca 0.62 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.61 2a1u s ALA 179 Cb -0.15 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.47 2a1u s ALA 179 CO 0.19 -0.47 -0.21 0.08 0.00 0.00 0.00 175.76 175.35 2a1u s VAL 180 N -3.93 2.50 -0.02 0.00 1.01 -0.69 -1.15 120.40 118.12 2a1u s VAL 180 Ca 0.10 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2a1u s VAL 180 Cb 0.06 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.52 2a1u s VAL 180 CO -0.07 0.58 -0.04 -0.69 0.00 0.00 0.00 175.10 174.88 2a1u s VAL 181 N -0.53 0.40 -0.05 2.92 1.01 0.01 -1.28 120.40 122.88 2a1u s VAL 181 Ca 0.07 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.96 2a1u s VAL 181 Cb -0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 2a1u s VAL 181 CO 0.01 0.15 -0.20 0.42 0.00 0.00 0.00 175.10 175.48 2a1u s THR 182 N 0.35 2.57 -0.18 3.92 -4.23 -0.86 -1.01 115.64 116.20 2a1u s THR 182 Ca -0.04 -0.90 -0.14 0.00 -1.18 0.00 0.00 61.69 59.43 2a1u s THR 182 Cb -0.07 -1.97 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 2a1u s THR 182 CO -0.00 0.58 0.32 0.00 -0.54 0.00 0.00 174.62 174.98 2a1u s ALA 183 N -0.50 3.57 0.63 3.99 0.00 0.67 -0.77 121.76 129.35 2a1u s ALA 183 Ca 0.06 -0.49 -0.10 0.00 0.00 0.00 0.00 51.96 51.44 2a1u s ALA 183 Cb -0.11 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.52 2a1u s ALA 183 CO 0.01 -0.05 1.00 0.34 0.00 0.00 0.00 175.76 177.06 2a1u s ASP 184 N 0.70 5.85 0.53 0.00 -1.08 0.02 -1.67 116.67 121.01 2a1u s ASP 184 Ca 0.17 1.13 0.22 0.00 -0.52 0.00 0.00 52.55 53.56 2a1u s ASP 184 Cb -0.14 -2.12 1.43 0.00 -1.46 0.00 0.00 42.92 40.63 2a1u s ASP 184 CO 0.05 -1.03 2.14 -0.07 0.52 0.00 0.00 175.17 176.78 2a1u h LEU 185 N -0.34 0.00 -0.36 -1.34 3.38 -1.95 -2.21 115.31 112.50 2a1u h LEU 185 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2a1u h LEU 185 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2a1u h LEU 185 CO 0.62 0.06 0.00 0.54 0.09 0.00 0.00 178.44 179.75 2a1u n ARG 186 N -4.11 0.13 0.04 1.13 5.12 -1.26 -4.18 116.66 113.53 2a1u n ARG 186 Ca -0.03 0.32 -0.11 0.00 -1.93 0.00 0.00 57.85 56.11 2a1u n ARG 186 Cb 0.14 -1.72 -0.04 0.00 -1.16 0.00 0.00 32.46 29.68 2a1u n ARG 186 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2a1u h LEU 187 N 0.00 -0.52 -7.98 0.55 5.85 -1.56 -3.47 115.31 108.19 2a1u h LEU 187 Ca 0.00 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.84 2a1u h LEU 187 Cb 0.37 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2a1u h LEU 187 CO 0.00 -0.24 0.29 0.54 -0.34 0.00 0.00 178.44 178.70 2a1u s ASN 188 N -4.98 -0.10 -0.38 1.25 6.03 -1.26 -4.76 114.94 110.73 2a1u s ASN 188 Ca -0.15 -0.88 -0.05 0.00 -1.03 0.00 0.00 52.86 50.75 2a1u s ASN 188 Cb 0.09 0.76 0.08 0.00 -3.03 0.00 0.00 41.25 39.15 2a1u s ASN 188 CO 0.67 -1.47 0.17 -1.61 -2.03 0.00 0.00 177.10 172.82 2a1u s GLU 189 N -2.94 2.39 0.42 3.55 8.01 -1.26 -4.95 118.70 123.92 2a1u s GLU 189 Ca 0.14 -1.49 -0.25 0.00 0.01 0.00 0.00 54.97 53.38 2a1u s GLU 189 Cb -0.05 -3.56 -0.10 0.00 -4.31 0.00 0.00 34.13 26.11 2a1u s GLU 189 CO 0.09 -0.88 1.13 -2.30 0.01 0.00 0.00 175.26 173.30 2a1u n PRO 190 N 4.75 1.59 -1.88 0.39 -0.02 -1.26 -4.97 135.00 133.60 2a1u n PRO 190 Ca -0.09 0.57 -0.32 0.00 -2.02 0.00 0.00 63.50 61.65 2a1u n PRO 190 Cb 0.43 -2.19 0.02 0.00 -0.02 0.00 0.00 33.50 31.74 2a1u n PRO 190 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2a1u s ARG 191 N -2.10 3.26 0.06 -0.52 1.70 -1.26 -5.04 118.95 115.05 2a1u s ARG 191 Ca 0.62 1.04 -0.29 0.00 -0.47 0.00 0.00 55.73 56.63 2a1u s ARG 191 Cb -0.54 -2.03 -0.05 0.00 -0.57 0.00 0.00 34.95 31.76 2a1u s ARG 191 CO 0.57 -0.84 0.95 -0.47 -1.08 0.00 0.00 175.30 174.42 2a1u s TYR 192 N -2.77 3.75 -0.51 5.89 5.04 -1.26 -5.03 117.35 122.46 2a1u s TYR 192 Ca 0.60 1.73 -0.24 0.00 -2.44 0.00 0.00 57.07 56.72 2a1u s TYR 192 Cb -0.14 -3.05 0.04 0.00 0.35 0.00 0.00 41.96 39.15 2a1u s TYR 192 CO 0.45 0.13 0.90 0.00 -1.34 0.00 0.00 175.55 175.69 2a1u s ALA 193 N 0.37 3.21 0.69 3.97 0.00 -1.26 -5.04 121.76 123.71 2a1u s ALA 193 Ca 0.48 -1.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.21 2a1u s ALA 193 Cb -0.22 -3.65 0.02 0.00 0.00 0.00 0.00 23.12 19.27 2a1u s ALA 193 CO 0.28 -2.20 1.10 0.95 0.00 0.00 0.00 175.76 175.90 2a1u s THR 194 N 3.73 3.32 0.25 0.00 -4.23 -1.26 -4.82 115.64 112.63 2a1u s THR 194 Ca 0.31 0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 61.34 2a1u s THR 194 Cb -0.12 -3.06 0.24 0.00 1.34 0.00 0.00 72.50 70.89 2a1u s THR 194 CO 0.22 -0.45 1.83 -0.07 -0.54 0.00 0.00 174.62 175.61 2a1u h LEU 195 N -0.35 0.81 -0.27 4.79 3.38 -1.98 -0.27 115.31 121.40 2a1u h LEU 195 Ca -0.46 0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.61 2a1u h LEU 195 Cb 1.24 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 2a1u h LEU 195 CO 0.53 0.47 -0.18 -0.65 0.09 0.00 0.00 178.44 178.71 2a1u h PRO 196 N 0.92 -0.15 -0.87 1.13 0.11 -1.99 -0.24 132.00 130.91 2a1u h PRO 196 Ca 0.42 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.57 2a1u h PRO 196 Cb 0.32 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.42 2a1u h PRO 196 CO -0.23 -0.10 0.57 -0.91 -0.21 0.00 0.00 178.00 177.13 2a1u h ASN 197 N -0.16 0.94 -0.57 -2.05 -0.26 -1.67 0.28 115.58 112.10 2a1u h ASN 197 Ca 0.15 -0.01 -0.11 0.00 -0.56 0.00 0.00 56.30 55.77 2a1u h ASN 197 Cb 0.38 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 2a1u h ASN 197 CO -0.37 0.65 -0.06 0.40 -1.06 0.00 0.00 177.43 176.99 2a1u h ILE 198 N 1.09 1.27 -0.25 2.81 2.04 -0.81 -0.40 117.51 123.25 2a1u h ILE 198 Ca 0.35 -1.21 -0.10 0.00 1.00 0.00 0.00 64.86 64.90 2a1u h ILE 198 Cb 0.02 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2a1u h ILE 198 CO -0.10 0.43 -0.22 0.24 0.00 0.00 0.00 178.15 178.50 2a1u h MET 199 N 0.92 0.59 -0.21 2.37 2.86 -0.55 -2.96 114.93 117.96 2a1u h MET 199 Ca 0.15 -0.30 0.05 0.00 -2.06 0.00 0.00 59.70 57.54 2a1u h MET 199 Cb 0.62 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.21 2a1u h MET 199 CO 0.04 0.89 -0.38 0.87 1.06 0.00 0.00 176.91 179.39 2a1u h LYS 200 N 0.31 -0.39 0.00 1.72 1.57 -0.92 -2.23 116.57 116.62 2a1u h LYS 200 Ca 0.04 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2a1u h LYS 200 Cb 0.77 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2a1u h LYS 200 CO 0.06 -0.26 0.38 0.00 -0.57 0.00 0.00 179.45 179.05 2a1u h ALA 201 N 0.34 1.37 0.00 3.86 0.00 -0.91 0.49 119.26 124.41 2a1u h ALA 201 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2a1u h ALA 201 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2a1u h ALA 201 CO -0.43 -0.37 -0.25 0.87 0.00 0.00 0.00 179.25 179.07 2a1u h LYS 202 N 0.00 0.00 0.00 0.00 1.57 -1.27 -2.78 116.57 114.09 2a1u h LYS 202 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 2a1u h LYS 202 Cb 0.76 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 2a1u h LYS 202 CO 0.00 0.25 -0.82 1.57 -0.57 0.00 0.00 179.45 179.88 2a1u h LYS 203 N 0.00 0.06 -7.12 3.15 -0.00 -0.11 -3.47 116.57 109.08 2a1u h LYS 203 Ca -0.00 -0.06 -0.53 0.00 -0.00 0.00 0.00 60.65 60.05 2a1u h LYS 203 Cb 0.78 0.02 0.13 0.00 -0.00 0.00 0.00 32.23 33.16 2a1u h LYS 203 CO 0.03 0.84 0.46 0.15 -0.00 0.00 0.00 179.45 180.93 2a1u s LYS 204 N -3.19 2.76 0.03 0.07 1.02 -1.05 -5.00 119.74 114.37 2a1u s LYS 204 Ca -0.01 1.82 -0.17 0.00 0.02 0.00 0.00 55.97 57.63 2a1u s LYS 204 Cb 0.11 -1.90 -0.06 0.00 -0.52 0.00 0.00 37.83 35.46 2a1u s LYS 204 CO 0.80 -1.37 0.48 -1.59 -0.92 0.00 0.00 175.35 172.75 2a1u s LYS 205 N -3.49 4.04 -0.17 1.68 0.00 -1.26 -4.98 119.74 115.56 2a1u s LYS 205 Ca 0.77 0.55 0.00 0.00 0.00 0.00 0.00 55.97 57.29 2a1u s LYS 205 Cb -0.30 -3.23 0.01 0.00 0.00 0.00 0.00 37.83 34.30 2a1u s LYS 205 CO 0.37 0.66 -0.16 0.42 0.00 0.00 0.00 175.35 176.63 2a1u s ILE 206 N -1.06 2.47 -0.05 3.79 1.01 -1.26 -0.24 121.20 125.85 2a1u s ILE 206 Ca 0.26 -0.82 -0.19 0.00 0.00 0.00 0.00 60.65 59.90 2a1u s ILE 206 Cb -0.18 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 2a1u s ILE 206 CO 0.16 0.52 0.54 -0.70 0.00 0.00 0.00 174.94 175.45 2a1u s GLU 207 N 1.07 4.29 -0.23 2.79 2.12 0.23 -4.92 118.70 124.06 2a1u s GLU 207 Ca -0.01 0.60 -0.10 0.00 0.36 0.00 0.00 54.97 55.83 2a1u s GLU 207 Cb -0.14 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 2a1u s GLU 207 CO -0.05 0.30 0.14 0.08 -0.54 0.00 0.00 175.26 175.18 2a1u s VAL 208 N 0.11 5.20 0.22 3.70 1.01 -1.26 0.05 120.40 129.43 2a1u s VAL 208 Ca 0.29 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.41 2a1u s VAL 208 Cb -0.17 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 2a1u s VAL 208 CO 0.14 0.37 0.05 0.27 0.00 0.00 0.00 175.10 175.94 2a1u s ILE 209 N 0.93 0.63 0.11 2.22 -4.36 -0.43 -4.98 121.20 115.32 2a1u s ILE 209 Ca 0.07 -1.99 0.08 0.00 -0.26 0.00 0.00 60.65 58.55 2a1u s ILE 209 Cb -0.13 -2.42 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 2a1u s ILE 209 CO 0.03 -0.20 -0.16 -0.54 0.24 0.00 0.00 174.94 174.31 2a1u s LYS 210 N -3.98 1.89 0.38 0.37 1.02 -1.26 -0.33 119.74 117.84 2a1u s LYS 210 Ca 0.32 -1.13 0.06 0.00 0.02 0.00 0.00 55.97 55.25 2a1u s LYS 210 Cb 0.07 -2.17 0.78 0.00 -0.52 0.00 0.00 37.83 35.99 2a1u s LYS 210 CO 0.10 0.49 1.99 -1.35 -0.92 0.00 0.00 175.35 175.66 2a1u h PRO 211 N 3.72 0.67 -0.70 -1.68 0.11 -1.86 0.69 132.00 132.95 2a1u h PRO 211 Ca -0.50 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.68 2a1u h PRO 211 Cb 1.17 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 2a1u h PRO 211 CO 0.48 0.44 0.47 0.78 -0.21 0.00 0.00 178.00 179.95 2a1u h GLY 212 N 0.69 0.81 2.00 -0.55 0.00 -1.94 0.86 103.07 104.93 2a1u h GLY 212 Ca 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2a1u h GLY 212 CO -0.07 0.13 -0.05 -0.55 0.00 0.00 0.00 176.54 176.01 2a1u h ASP 213 N 0.56 0.00 -0.36 0.19 3.32 -1.19 -1.64 116.42 117.30 2a1u h ASP 213 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 2a1u h ASP 213 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2a1u h ASP 213 CO -0.11 0.05 0.00 0.18 -1.72 0.00 0.00 179.24 177.64 2a1u n LEU 214 N -3.53 3.18 -1.11 1.55 4.77 0.15 -4.93 117.00 117.08 2a1u n LEU 214 Ca -0.02 -1.36 -0.11 0.00 -0.03 0.00 0.00 56.01 54.49 2a1u n LEU 214 Cb 0.16 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 2a1u n LEU 214 CO 0.27 0.68 -0.13 0.61 -1.33 0.00 0.00 177.39 177.49 2a1u n GLY 215 N 1.45 0.27 3.61 -0.72 0.00 -0.62 -4.99 105.19 104.18 2a1u n GLY 215 Ca 0.19 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 2a1u n GLY 215 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a1u s VAL 216 N -2.50 5.21 -0.13 1.61 1.01 -0.35 -4.99 120.40 120.25 2a1u s VAL 216 Ca 0.00 0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.95 2a1u s VAL 216 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2a1u s VAL 216 CO 0.00 0.31 0.40 -0.62 0.00 0.00 0.00 175.10 175.19 2a1u s ASP 217 N 1.41 6.59 0.00 3.32 2.15 -1.26 -3.46 116.67 125.41 2a1u s ASP 217 Ca 0.07 0.69 0.18 0.00 0.43 0.00 0.00 52.55 53.92 2a1u s ASP 217 Cb -0.15 -2.24 0.70 0.00 -0.30 0.00 0.00 42.92 40.93 2a1u s ASP 217 CO 0.07 0.05 1.50 0.18 -0.17 0.00 0.00 175.17 176.80 2a1u n LEU 218 N 3.59 1.35 -4.76 -1.34 4.32 -1.26 -4.95 117.00 113.95 2a1u n LEU 218 Ca -0.09 -0.59 -0.41 0.00 -0.02 0.00 0.00 56.01 54.90 2a1u n LEU 218 Cb 0.52 -0.10 0.01 0.00 -1.62 0.00 0.00 43.42 42.22 2a1u n LEU 218 CO 0.42 0.29 1.09 0.41 -1.22 0.00 0.00 177.39 178.38 2a1u n THR 219 N 0.14 2.39 -4.40 -5.08 -1.04 -1.26 -4.99 114.28 100.03 2a1u n THR 219 Ca 0.14 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.05 61.45 2a1u n THR 219 Cb 0.27 -1.88 -0.16 0.00 -1.82 0.00 0.00 70.33 66.74 2a1u n THR 219 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2a1u s SER 220 N -0.31 1.25 -0.07 8.00 0.15 -1.26 -5.02 113.70 116.45 2a1u s SER 220 Ca 0.57 -0.19 0.19 0.00 0.70 0.00 0.00 55.95 57.21 2a1u s SER 220 Cb -0.47 -0.36 0.64 0.00 -1.71 0.00 0.00 66.02 64.13 2a1u s SER 220 CO 0.61 0.06 1.55 0.29 1.20 0.00 0.00 173.24 176.95 2a1u n LYS 221 N 3.34 3.31 -4.15 5.44 5.02 -1.26 -4.91 118.16 124.95 2a1u n LYS 221 Ca -0.19 -2.73 -0.26 0.00 -2.02 0.00 0.00 58.31 53.11 2a1u n LYS 221 Cb 0.54 -1.73 -0.07 0.00 -0.02 0.00 0.00 35.03 33.76 2a1u n LYS 221 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2a1u s LEU 222 N -1.55 3.54 -0.29 -0.35 1.43 -1.26 -5.13 118.68 115.08 2a1u s LEU 222 Ca 0.47 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 53.15 2a1u s LEU 222 Cb 0.28 -2.17 0.10 0.00 0.03 0.00 0.00 46.19 44.44 2a1u s LEU 222 CO 0.25 0.08 0.72 -0.55 0.23 0.00 0.00 176.35 177.08 2a1u s SER 223 N -3.03 -0.95 -0.30 2.29 0.15 -1.26 -5.12 113.70 105.48 2a1u s SER 223 Ca 0.29 1.44 -0.29 0.00 0.70 0.00 0.00 55.95 58.09 2a1u s SER 223 Cb -0.10 1.64 -0.00 0.00 -1.71 0.00 0.00 66.02 65.85 2a1u s SER 223 CO 0.21 -0.22 1.33 -0.69 1.20 0.00 0.00 173.24 175.07 2a1u s VAL 224 N 1.99 4.09 -0.04 4.45 1.01 -1.26 -4.89 120.40 125.75 2a1u s VAL 224 Ca -0.09 1.22 -0.26 0.00 0.00 0.00 0.00 61.98 62.86 2a1u s VAL 224 Cb -0.07 -4.12 -0.21 0.00 0.00 0.00 0.00 36.38 31.98 2a1u s VAL 224 CO -0.19 -0.48 1.15 0.40 0.00 0.00 0.00 175.10 175.98 2a1u h ILE 225 N 6.01 1.48 -2.39 2.22 1.08 -1.96 -3.49 117.51 120.46 2a1u h ILE 225 Ca -0.27 -1.50 0.10 0.00 -0.39 0.00 0.00 64.86 62.81 2a1u h ILE 225 Cb 1.10 2.44 -0.13 0.00 -3.07 0.00 0.00 36.82 37.16 2a1u h ILE 225 CO 1.03 0.40 0.45 -0.94 -0.69 0.00 0.00 178.15 178.41 2a1u s SER 226 N -5.93 -0.36 -0.04 1.72 1.04 -1.26 -4.93 113.70 103.94 2a1u s SER 226 Ca -0.16 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.20 2a1u s SER 226 Cb 0.01 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.59 2a1u s SER 226 CO 0.70 -0.72 -0.01 -0.69 0.98 0.00 0.00 173.24 173.49 2a1u s VAL 227 N -3.24 0.32 0.04 5.02 1.01 -0.02 -4.97 120.40 118.57 2a1u s VAL 227 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2a1u s VAL 227 Cb -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 2a1u s VAL 227 CO -0.07 0.18 -0.02 -1.61 0.00 0.00 0.00 175.10 173.58 2a1u s GLU 228 N 1.09 0.53 0.41 2.72 2.02 -1.26 -4.53 118.70 119.68 2a1u s GLU 228 Ca -0.09 -1.03 -0.27 0.00 0.02 0.00 0.00 54.97 53.60 2a1u s GLU 228 Cb -0.14 0.18 -0.10 0.00 0.10 0.00 0.00 34.13 34.18 2a1u s GLU 228 CO -0.01 -0.10 1.47 -0.25 0.02 0.00 0.00 175.26 176.39 2a1u n ASP 229 N 0.55 3.62 -4.79 -0.19 8.00 -1.26 -5.04 116.55 117.44 2a1u n ASP 229 Ca -0.17 1.19 -0.29 0.00 0.71 0.00 0.00 54.79 56.23 2a1u n ASP 229 Cb 0.59 -1.62 0.12 0.00 -0.02 0.00 0.00 41.12 40.20 2a1u n ASP 229 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2a1u s PRO 230 N -2.24 1.36 0.55 -0.24 0.04 -1.26 -4.98 135.00 128.23 2a1u s PRO 230 Ca 0.56 0.35 -0.20 0.00 0.04 0.00 0.00 61.00 61.75 2a1u s PRO 230 Cb -0.46 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 2a1u s PRO 230 CO 0.61 -2.06 0.94 -2.30 0.04 0.00 0.00 177.00 174.24 2a1u n PRO 231 N -3.68 1.01 -3.14 0.56 -0.02 -1.26 -4.93 135.00 123.53 2a1u n PRO 231 Ca 0.07 0.38 -0.37 0.00 -2.02 0.00 0.00 63.50 61.56 2a1u n PRO 231 Cb 0.59 -2.10 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 2a1u n PRO 231 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2a1u s GLN 232 N -2.49 4.25 -0.12 -0.52 -2.07 -1.26 -5.05 119.66 112.39 2a1u s GLN 232 Ca 0.71 0.84 -0.04 0.00 -1.82 0.00 0.00 55.36 55.05 2a1u s GLN 232 Cb -0.45 -2.98 0.06 0.00 -1.09 0.00 0.00 33.01 28.54 2a1u s GLN 232 CO 0.51 0.46 0.17 0.50 -1.32 0.00 0.00 175.29 175.60 2a1u s ARG 233 N -1.76 0.07 0.35 9.60 3.52 -1.26 -5.16 118.95 124.32 2a1u s ARG 233 Ca 0.39 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.40 2a1u s ARG 233 Cb -0.18 -0.67 -0.00 0.00 -1.56 0.00 0.00 34.95 32.55 2a1u s ARG 233 CO 0.21 -0.43 0.00 0.25 -0.81 0.00 0.00 175.30 174.53 2a1u n THR 234 N 5.32 0.00 -1.67 4.11 -2.24 -1.26 -5.08 114.28 113.46 2a1u n THR 234 Ca -0.05 -1.68 -0.45 0.00 -2.27 0.00 0.00 64.05 59.59 2a1u n THR 234 Cb 0.50 0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 69.04 2a1u n THR 234 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a1u n ALA 235 N -1.86 1.42 -1.30 6.98 0.00 -1.26 -5.01 120.51 119.49 2a1u n ALA 235 Ca -0.15 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.73 2a1u n ALA 235 Cb 0.45 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2a1u n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a1u n GLY 236 N 3.13 1.09 3.72 0.00 0.00 -1.26 -5.10 105.19 106.77 2a1u n GLY 236 Ca 0.15 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 2a1u n GLY 236 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a1u s VAL 237 N 1.41 4.18 -0.09 1.61 0.11 -1.26 -5.12 120.40 121.24 2a1u s VAL 237 Ca 0.00 -1.01 -0.07 0.00 -2.93 0.00 0.00 61.98 57.97 2a1u s VAL 237 Cb 0.00 -3.03 -0.04 0.00 -1.53 0.00 0.00 36.38 31.77 2a1u s VAL 237 CO 0.00 0.05 0.18 -0.54 -3.33 0.00 0.00 175.10 171.46 2a1u s LYS 238 N -2.54 3.50 0.11 1.54 -0.14 -1.26 -5.11 119.74 115.84 2a1u s LYS 238 Ca 0.28 -0.09 0.08 0.00 -1.36 0.00 0.00 55.97 54.88 2a1u s LYS 238 Cb -0.11 -3.18 -0.04 0.00 -1.68 0.00 0.00 37.83 32.82 2a1u s LYS 238 CO 0.20 0.76 -0.15 0.14 -0.76 0.00 0.00 175.35 175.54 2a1u s VAL 239 N -1.07 3.06 -0.02 3.17 -7.23 -1.26 -5.06 120.40 111.99 2a1u s VAL 239 Ca 0.18 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 2a1u s VAL 239 Cb -0.13 -2.42 -0.26 0.00 0.56 0.00 0.00 36.38 34.14 2a1u s VAL 239 CO 0.07 0.11 0.76 -0.08 -0.31 0.00 0.00 175.10 175.64 2a1u h GLU 240 N 3.69 0.16 -4.82 4.82 4.81 -1.99 -3.48 114.58 117.77 2a1u h GLU 240 Ca -0.49 -0.28 -0.27 0.00 -0.13 0.00 0.00 59.36 58.19 2a1u h GLU 240 Cb 1.17 0.10 -0.15 0.00 0.63 0.00 0.00 28.75 30.50 2a1u h GLU 240 CO 0.49 0.95 -0.71 0.95 -0.73 0.00 0.00 179.01 179.96 2a1u s THR 241 N -2.61 0.88 0.25 0.32 -4.23 -1.26 -5.04 115.64 103.94 2a1u s THR 241 Ca -0.09 -1.93 -0.05 0.00 -1.18 0.00 0.00 61.69 58.44 2a1u s THR 241 Cb 0.07 -1.68 0.19 0.00 1.34 0.00 0.00 72.50 72.42 2a1u s THR 241 CO 0.83 -0.79 1.84 0.74 -0.54 0.00 0.00 174.62 176.70 2a1u h THR 242 N 3.01 1.25 -0.61 3.99 2.02 -1.99 -1.55 112.91 119.03 2a1u h THR 242 Ca -0.36 -0.71 0.06 0.00 0.77 0.00 0.00 66.41 66.17 2a1u h THR 242 Cb 1.18 0.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.80 2a1u h THR 242 CO 0.62 0.30 0.31 -0.33 0.37 0.00 0.00 175.52 176.79 2a1u h GLU 243 N 1.11 0.55 -0.69 6.66 5.08 -1.99 0.16 114.58 125.46 2a1u h GLU 243 Ca 0.27 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 2a1u h GLU 243 Cb 0.13 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2a1u h GLU 243 CO -0.03 0.36 0.16 -0.44 -1.00 0.00 0.00 179.01 178.06 2a1u h ASP 244 N 0.57 1.05 -0.48 1.42 3.32 -1.86 0.40 116.42 120.85 2a1u h ASP 244 Ca 0.28 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2a1u h ASP 244 Cb 0.22 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2a1u h ASP 244 CO -0.20 1.01 0.18 0.25 -1.72 0.00 0.00 179.24 178.76 2a1u h LEU 245 N 1.05 0.67 -0.43 1.55 5.85 -0.49 -0.96 115.31 122.55 2a1u h LEU 245 Ca 0.22 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 2a1u h LEU 245 Cb 0.38 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2a1u h LEU 245 CO 0.00 0.67 -0.10 0.58 -0.34 0.00 0.00 178.44 179.25 2a1u h VAL 246 N 0.63 1.27 -0.16 1.05 2.07 -0.79 -2.21 116.25 118.11 2a1u h VAL 246 Ca 0.16 -1.20 0.05 0.00 0.82 0.00 0.00 66.70 66.52 2a1u h VAL 246 Cb 0.22 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 2a1u h VAL 246 CO -0.01 0.41 -0.15 0.00 0.02 0.00 0.00 177.57 177.84 2a1u h ALA 247 N 0.86 -0.05 -0.43 1.67 0.00 -0.72 -1.39 119.26 119.20 2a1u h ALA 247 Ca 0.11 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2a1u h ALA 247 Cb 0.63 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2a1u h ALA 247 CO 0.04 -0.59 0.24 0.87 0.00 0.00 0.00 179.25 179.81 2a1u h LYS 248 N -0.18 0.47 -0.42 0.00 1.79 -1.09 -1.28 116.57 115.87 2a1u h LYS 248 Ca 0.10 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.48 2a1u h LYS 248 Cb 0.33 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 2a1u h LYS 248 CO -0.26 0.31 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.33 2a1u h LEU 249 N 0.49 0.66 -0.13 2.94 3.38 -1.18 -2.07 115.31 119.39 2a1u h LEU 249 Ca 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2a1u h LEU 249 Cb 0.04 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2a1u h LEU 249 CO -0.10 0.74 0.02 0.11 0.09 0.00 0.00 178.44 179.30 2a1u h LYS 250 N 0.64 0.22 0.00 1.13 1.57 -0.99 0.08 116.57 119.22 2a1u h LYS 250 Ca 0.13 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2a1u h LYS 250 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2a1u h LYS 250 CO 0.02 0.42 -0.27 1.05 -0.57 0.00 0.00 179.45 180.11 2a1u h GLU 251 N -0.02 0.00 -0.01 3.15 4.11 -1.00 -1.00 114.58 119.81 2a1u h GLU 251 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 2a1u h GLU 251 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2a1u h GLU 251 CO 0.00 0.27 -0.02 0.44 0.07 0.00 0.00 179.01 179.77 2a1u n ILE 252 N -4.05 0.00 -2.72 -1.06 -5.35 -0.80 -4.95 119.36 100.44 2a1u n ILE 252 Ca -0.02 -0.13 -0.09 0.00 -0.27 0.00 0.00 62.75 62.24 2a1u n ILE 252 Cb 0.33 0.05 0.02 0.00 -1.74 0.00 0.00 39.64 38.30 2a1u n ILE 252 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2a1u n GLY 253 N 1.13 0.28 0.00 3.28 0.00 -0.38 -4.95 105.19 104.56 2a1u n GLY 253 Ca 0.20 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.93 2a1u n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a1u n ARG 254 N -2.13 1.07 0.00 1.61 5.12 -0.02 -5.03 116.66 117.27 2a1u n ARG 254 Ca -0.02 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 2a1u n ARG 254 Cb 0.54 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.50 2a1u n ARG 254 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81