#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a6i s ILE 2 N 0.00 4.89 -0.09 0.53 1.01 -1.26 -5.01 121.20 121.28 2a6i s ILE 2 Ca 0.00 1.40 -0.19 0.00 0.00 0.00 0.00 60.65 61.87 2a6i s ILE 2 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 2a6i s ILE 2 CO 0.00 -0.03 0.51 -1.10 0.00 0.00 0.00 174.94 174.32 2a6i s GLN 3 N 2.71 4.32 -0.22 2.79 1.11 -1.26 -4.75 119.66 124.35 2a6i s GLN 3 Ca 0.32 0.53 -0.08 0.00 0.01 0.00 0.00 55.36 56.14 2a6i s GLN 3 Cb -0.15 -3.41 -0.04 0.00 -1.01 0.00 0.00 33.01 28.40 2a6i s GLN 3 CO 0.08 0.22 0.08 -1.64 0.01 0.00 0.00 175.29 174.03 2a6i s MET 4 N 0.40 3.81 -0.08 2.91 -1.94 -1.26 -1.20 119.30 121.94 2a6i s MET 4 Ca 0.28 -0.41 0.03 0.00 -1.71 0.00 0.00 55.69 53.87 2a6i s MET 4 Cb -0.16 -3.30 -0.02 0.00 2.01 0.00 0.00 34.83 33.36 2a6i s MET 4 CO 0.12 0.00 -0.15 0.99 -0.01 0.00 0.00 175.02 175.98 2a6i s THR 5 N 1.11 2.96 -0.36 2.05 2.01 -0.23 -4.13 115.64 119.05 2a6i s THR 5 Ca 0.05 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.34 2a6i s THR 5 Cb -0.14 -2.18 0.10 0.00 0.01 0.00 0.00 72.50 70.29 2a6i s THR 5 CO 0.03 0.57 0.07 -1.10 -0.69 0.00 0.00 174.62 173.50 2a6i s GLN 6 N -0.32 1.54 -0.18 4.92 -0.21 -1.26 0.80 119.66 124.94 2a6i s GLN 6 Ca 0.03 -1.94 -0.29 0.00 0.02 0.00 0.00 55.36 53.18 2a6i s GLN 6 Cb -0.13 -3.23 -0.03 0.00 1.00 0.00 0.00 33.01 30.62 2a6i s GLN 6 CO 0.02 -0.96 1.58 -0.08 -2.12 0.00 0.00 175.29 173.74 2a6i s THR 7 N 0.81 3.74 0.00 -0.19 -1.32 -1.26 -4.42 115.64 113.00 2a6i s THR 7 Ca 0.11 0.85 0.00 0.00 -1.21 0.00 0.00 61.69 61.45 2a6i s THR 7 Cb -0.20 -3.69 0.00 0.00 -1.51 0.00 0.00 72.50 67.10 2a6i s THR 7 CO -0.07 -0.23 0.00 0.41 -2.21 0.00 0.00 174.62 172.52 2a6i n THR 8 N 6.09 0.00 0.10 5.08 -1.04 -1.26 -4.74 114.28 118.51 2a6i n THR 8 Ca 0.18 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.15 2a6i n THR 8 Cb 0.45 0.00 0.16 0.00 -1.82 0.00 0.00 70.33 69.11 2a6i n THR 8 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2a6i h SER 9 N 0.00 0.22 -3.81 8.00 0.02 -1.78 -3.41 113.55 112.79 2a6i h SER 9 Ca 0.00 -0.12 -0.34 0.00 -0.84 0.00 0.00 61.79 60.50 2a6i h SER 9 Cb 0.00 -0.06 -0.30 0.00 0.14 0.00 0.00 62.40 62.18 2a6i h SER 9 CO 0.00 0.73 -0.76 -0.55 -1.14 0.00 0.00 176.83 175.11 2a6i s SER 10 N -6.89 0.64 -0.04 3.07 0.15 -1.26 -0.82 113.70 108.55 2a6i s SER 10 Ca -0.04 -0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.55 2a6i s SER 10 Cb 0.12 -0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.31 2a6i s SER 10 CO 0.78 0.03 -0.12 -0.22 1.20 0.00 0.00 173.24 174.92 2a6i s LEU 11 N 0.12 1.75 -0.06 3.45 2.96 -0.28 -4.91 118.68 121.71 2a6i s LEU 11 Ca -0.01 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.56 2a6i s LEU 11 Cb -0.05 -0.73 -0.05 0.00 0.50 0.00 0.00 46.19 45.87 2a6i s LEU 11 CO -0.00 0.07 0.23 -0.44 -1.32 0.00 0.00 176.35 174.89 2a6i s SER 12 N 0.32 6.51 0.16 3.68 0.01 -1.26 -1.80 113.70 121.32 2a6i s SER 12 Ca -0.07 0.60 -0.23 0.00 1.31 0.00 0.00 55.95 57.56 2a6i s SER 12 Cb -0.12 -2.11 0.07 0.00 0.21 0.00 0.00 66.02 64.07 2a6i s SER 12 CO 0.02 0.36 0.61 0.00 0.41 0.00 0.00 173.24 174.64 2a6i s ALA 13 N -1.10 -1.60 0.11 1.44 0.00 -1.10 -4.95 121.76 114.56 2a6i s ALA 13 Ca 0.20 0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.69 2a6i s ALA 13 Cb -0.13 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 2a6i s ALA 13 CO 0.09 -0.77 0.06 -1.12 0.00 0.00 0.00 175.76 174.02 2a6i s SER 14 N -2.74 5.33 0.30 0.00 0.01 -1.26 -2.37 113.70 112.96 2a6i s SER 14 Ca 0.01 -0.11 -0.30 0.00 1.31 0.00 0.00 55.95 56.87 2a6i s SER 14 Cb -0.01 -1.36 -0.12 0.00 0.21 0.00 0.00 66.02 64.74 2a6i s SER 14 CO -0.12 0.15 1.51 0.18 0.41 0.00 0.00 173.24 175.36 2a6i n LEU 15 N 0.28 4.09 0.00 2.44 4.77 -1.26 -1.00 117.00 126.32 2a6i n LEU 15 Ca -0.09 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.05 2a6i n LEU 15 Cb 0.53 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 2a6i n LEU 15 CO 0.42 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2a6i n GLY 16 N 1.77 0.98 3.81 -0.72 0.00 0.77 -4.90 105.19 106.89 2a6i n GLY 16 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2a6i n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2a6i s ASP 17 N -2.04 4.43 -0.49 1.61 1.01 -0.17 -4.39 116.67 116.63 2a6i s ASP 17 Ca 0.00 1.26 -0.14 0.00 0.71 0.00 0.00 52.55 54.39 2a6i s ASP 17 Cb 0.00 -1.98 0.11 0.00 1.01 0.00 0.00 42.92 42.05 2a6i s ASP 17 CO 0.00 -2.01 0.41 -0.60 0.21 0.00 0.00 175.17 173.19 2a6i s ARG 18 N -5.18 2.85 0.01 8.23 3.52 -1.24 -0.41 118.95 126.73 2a6i s ARG 18 Ca 0.61 -1.58 -0.15 0.00 -0.13 0.00 0.00 55.73 54.47 2a6i s ARG 18 Cb -0.14 -4.12 -0.06 0.00 -1.56 0.00 0.00 34.95 29.07 2a6i s ARG 18 CO 0.54 -1.17 0.43 0.08 -0.81 0.00 0.00 175.30 174.37 2a6i s VAL 19 N 1.55 4.98 -0.16 7.11 1.01 -0.67 -4.89 120.40 129.34 2a6i s VAL 19 Ca 0.04 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 2a6i s VAL 19 Cb -0.27 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.41 2a6i s VAL 19 CO 0.03 0.57 -0.03 -0.89 0.00 0.00 0.00 175.10 174.78 2a6i s THR 20 N -1.07 0.92 -0.19 3.92 2.01 -1.26 0.31 115.64 120.28 2a6i s THR 20 Ca 0.25 -0.51 -0.08 0.00 0.31 0.00 0.00 61.69 61.66 2a6i s THR 20 Cb -0.17 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 2a6i s THR 20 CO 0.14 0.11 0.08 -0.63 -0.69 0.00 0.00 174.62 173.63 2a6i s ILE 21 N 1.71 4.93 0.54 1.82 1.01 0.30 -4.95 121.20 126.57 2a6i s ILE 21 Ca 0.01 0.02 0.09 0.00 0.00 0.00 0.00 60.65 60.77 2a6i s ILE 21 Cb -0.15 -3.24 0.07 0.00 0.01 0.00 0.00 42.46 39.15 2a6i s ILE 21 CO -0.07 0.44 0.74 -0.44 0.00 0.00 0.00 174.94 175.61 2a6i s SER 22 N 0.50 5.22 -0.30 3.58 0.01 -1.26 -0.53 113.70 120.91 2a6i s SER 22 Ca 0.04 -0.71 -0.16 0.00 1.31 0.00 0.00 55.95 56.43 2a6i s SER 22 Cb -0.12 0.03 0.19 0.00 0.21 0.00 0.00 66.02 66.33 2a6i s SER 22 CO 0.00 -1.21 1.17 0.00 0.41 0.00 0.00 173.24 173.61 2a6i s ARG 24 N 1.31 2.29 0.47 0.00 3.52 0.24 -1.88 118.95 124.91 2a6i s ARG 24 Ca -0.07 -0.59 -0.14 0.00 -0.13 0.00 0.00 55.73 54.80 2a6i s ARG 24 Cb -0.03 -1.94 -0.07 0.00 -1.56 0.00 0.00 34.95 31.35 2a6i s ARG 24 CO -0.12 -0.06 0.91 0.00 -0.81 0.00 0.00 175.30 175.22 2a6i s ALA 25 N 0.97 3.17 -0.02 6.12 0.00 0.14 -1.07 121.76 131.07 2a6i s ALA 25 Ca -0.07 0.04 0.31 0.00 0.00 0.00 0.00 51.96 52.25 2a6i s ALA 25 Cb -0.15 -2.97 1.19 0.00 0.00 0.00 0.00 23.12 21.19 2a6i s ALA 25 CO -0.02 -0.16 1.91 0.66 0.00 0.00 0.00 175.76 178.16 2a6i h SER 26 N 1.03 0.00 -5.07 0.00 4.64 -1.49 -3.46 113.55 109.20 2a6i h SER 26 Ca -0.47 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 2a6i h SER 26 Cb 1.19 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.19 2a6i h SER 26 CO 0.62 0.00 0.10 0.00 -0.87 0.00 0.00 176.83 176.68 2a6i s GLN 27 N -3.57 1.55 -0.25 4.77 -2.07 -1.26 -4.97 119.66 113.86 2a6i s GLN 27 Ca 0.02 -0.94 -0.39 0.00 -1.82 0.00 0.00 55.36 52.23 2a6i s GLN 27 Cb 0.08 0.55 -0.15 0.00 -1.09 0.00 0.00 33.01 32.41 2a6i s GLN 27 CO 0.55 -0.68 1.79 -3.47 -1.32 0.00 0.00 175.29 172.16 2a6i n ASP 28 N -0.40 2.59 -0.96 12.60 4.64 -1.26 -4.67 116.55 129.10 2a6i n ASP 28 Ca -0.07 1.04 0.12 0.00 -1.38 0.00 0.00 54.79 54.50 2a6i n ASP 28 Cb 0.61 -1.18 0.10 0.00 -1.04 0.00 0.00 41.12 39.61 2a6i n ASP 28 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 2a6i n ILE 29 N 4.79 0.01 -3.83 5.18 5.41 -0.31 -4.97 119.36 125.63 2a6i n ILE 29 Ca 0.26 -0.51 -0.26 0.00 1.00 0.00 0.00 62.75 63.24 2a6i n ILE 29 Cb 0.16 1.49 0.03 0.00 -0.71 0.00 0.00 39.64 40.60 2a6i n ILE 29 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2a6i n SER 30 N 1.34 -3.04 -0.14 4.38 7.64 -1.26 -1.78 113.62 120.77 2a6i n SER 30 Ca 0.14 -0.81 -0.02 0.00 1.01 0.00 0.00 58.87 59.19 2a6i n SER 30 Cb 0.60 -3.89 -0.01 0.00 -1.01 0.00 0.00 64.21 59.90 2a6i n SER 30 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2a6i n ASN 31 N -2.93 -4.94 -3.84 6.43 4.13 -1.26 -4.91 115.26 107.94 2a6i n ASN 31 Ca -0.12 0.05 -0.42 0.00 1.68 0.00 0.00 54.58 55.76 2a6i n ASN 31 Cb 0.60 -2.60 0.00 0.00 -1.54 0.00 0.00 39.78 36.24 2a6i n ASN 31 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2a6i n TYR 32 N -2.38 2.91 -4.97 3.10 0.53 -0.73 0.45 117.16 116.07 2a6i n TYR 32 Ca -0.02 -2.79 -0.28 0.00 -1.02 0.00 0.00 57.90 53.80 2a6i n TYR 32 Cb 0.35 -1.95 -0.16 0.00 -1.03 0.00 0.00 39.34 36.55 2a6i n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 2a6i s LEU 33 N -0.20 1.96 0.15 7.72 2.96 -1.26 -0.69 118.68 129.32 2a6i s LEU 33 Ca 0.40 -0.41 0.10 0.00 -0.22 0.00 0.00 54.13 54.00 2a6i s LEU 33 Cb 0.10 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 2a6i s LEU 33 CO -0.00 0.17 -0.23 0.20 -1.32 0.00 0.00 176.35 175.18 2a6i s ASN 34 N 0.03 3.07 -0.10 3.68 0.01 -0.23 -1.49 114.94 119.91 2a6i s ASN 34 Ca -0.05 -0.80 0.03 0.00 -0.71 0.00 0.00 52.86 51.33 2a6i s ASN 34 Cb -0.13 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.34 2a6i s ASN 34 CO 0.03 0.09 -0.21 0.26 -1.51 0.00 0.00 177.10 175.76 2a6i s TRP 35 N -1.49 2.29 0.07 2.20 0.52 0.19 -1.18 118.94 121.54 2a6i s TRP 35 Ca 0.15 -0.95 0.09 0.00 0.02 0.00 0.00 56.10 55.41 2a6i s TRP 35 Cb -0.08 -1.56 -0.03 0.00 -1.15 0.00 0.00 33.47 30.65 2a6i s TRP 35 CO 0.07 -0.41 -0.24 0.71 0.02 0.00 0.00 176.95 177.11 2a6i s TYR 36 N 0.49 2.08 -0.19 -1.98 1.51 -0.27 -1.84 117.35 117.14 2a6i s TYR 36 Ca -0.16 -0.39 -0.01 0.00 -1.01 0.00 0.00 57.07 55.49 2a6i s TYR 36 Cb -0.17 -1.21 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 2a6i s TYR 36 CO 0.06 0.17 -0.14 -1.14 -1.11 0.00 0.00 175.55 173.38 2a6i s GLN 37 N -1.46 3.13 -0.12 -0.62 0.74 0.14 -1.31 119.66 120.15 2a6i s GLN 37 Ca 0.10 -0.76 -0.01 0.00 0.05 0.00 0.00 55.36 54.74 2a6i s GLN 37 Cb -0.10 -2.72 -0.02 0.00 1.10 0.00 0.00 33.01 31.27 2a6i s GLN 37 CO 0.03 -0.19 -0.08 -1.14 -0.55 0.00 0.00 175.29 173.36 2a6i s GLN 38 N 1.32 3.32 0.37 1.67 0.74 0.80 -0.56 119.66 127.33 2a6i s GLN 38 Ca 0.05 -0.58 -0.01 0.00 0.05 0.00 0.00 55.36 54.86 2a6i s GLN 38 Cb -0.14 -2.73 -0.03 0.00 1.10 0.00 0.00 33.01 31.21 2a6i s GLN 38 CO -0.09 0.35 0.60 0.15 -0.55 0.00 0.00 175.29 175.75 2a6i s LYS 39 N 0.04 3.51 0.36 1.67 -0.14 -0.02 -1.09 119.74 124.07 2a6i s LYS 39 Ca -0.02 -0.20 0.12 0.00 -1.36 0.00 0.00 55.97 54.52 2a6i s LYS 39 Cb -0.14 -2.60 0.92 0.00 -1.68 0.00 0.00 37.83 34.33 2a6i s LYS 39 CO 0.03 0.08 1.82 -1.35 -0.76 0.00 0.00 175.35 175.17 2a6i h PRO 40 N 0.70 0.57 0.00 -1.68 0.11 -1.89 0.52 132.00 130.34 2a6i h PRO 40 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2a6i h PRO 40 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2a6i h PRO 40 CO 0.62 0.37 0.00 -0.40 -0.21 0.00 0.00 178.00 178.38 2a6i n ASP 41 N -4.63 0.00 0.00 -2.05 5.75 -1.26 -4.78 116.55 109.58 2a6i n ASP 41 Ca 0.21 -0.28 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 2a6i n ASP 41 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 2a6i n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a6i n GLY 42 N -0.48 3.17 3.76 6.12 0.00 0.18 -5.03 105.19 112.92 2a6i n GLY 42 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2a6i n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a6i s THR 43 N -1.76 2.54 0.09 2.61 -4.23 -1.25 -4.68 115.64 108.96 2a6i s THR 43 Ca 0.00 0.44 0.07 0.00 -1.18 0.00 0.00 61.69 61.02 2a6i s THR 43 Cb 0.00 -3.24 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 2a6i s THR 43 CO 0.00 0.03 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.29 2a6i s VAL 44 N -1.34 3.15 -0.01 2.29 1.01 -1.26 -0.84 120.40 123.40 2a6i s VAL 44 Ca 0.63 -1.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2a6i s VAL 44 Cb -0.37 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.58 2a6i s VAL 44 CO 0.46 0.17 0.10 -0.75 0.00 0.00 0.00 175.10 175.07 2a6i s LYS 45 N -1.99 0.34 0.08 2.72 2.20 0.28 -4.96 119.74 118.40 2a6i s LYS 45 Ca 0.19 -0.27 -0.20 0.00 -0.36 0.00 0.00 55.97 55.33 2a6i s LYS 45 Cb -0.11 0.14 -0.07 0.00 -1.51 0.00 0.00 37.83 36.28 2a6i s LYS 45 CO 0.11 -0.07 0.59 -1.17 -0.36 0.00 0.00 175.35 174.45 2a6i s LEU 46 N -0.95 4.53 -0.01 5.43 1.98 -1.26 0.24 118.68 128.64 2a6i s LEU 46 Ca -0.10 1.30 -0.01 0.00 -2.89 0.00 0.00 54.13 52.43 2a6i s LEU 46 Cb -0.06 -2.94 -0.01 0.00 0.66 0.00 0.00 46.19 43.84 2a6i s LEU 46 CO 0.01 0.26 -0.03 0.18 -1.89 0.00 0.00 176.35 174.88 2a6i n LEU 47 N 1.74 0.27 -3.97 -0.68 4.77 -0.76 -4.90 117.00 113.46 2a6i n LEU 47 Ca -0.10 0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.82 2a6i n LEU 47 Cb 0.51 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.38 2a6i n LEU 47 CO 0.42 -0.06 -0.36 -0.63 -1.33 0.00 0.00 177.39 175.43 2a6i s ILE 48 N -2.04 0.14 0.12 -0.08 1.01 -1.21 -3.76 121.20 115.39 2a6i s ILE 48 Ca -0.03 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 2a6i s ILE 48 Cb 0.01 -0.26 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 2a6i s ILE 48 CO 0.03 -0.42 0.08 -0.72 0.00 0.00 0.00 174.94 173.92 2a6i s TYR 49 N -1.26 0.71 -0.23 3.97 1.13 -0.64 -0.64 117.35 120.40 2a6i s TYR 49 Ca -0.13 -1.11 -0.08 0.00 -1.41 0.00 0.00 57.07 54.33 2a6i s TYR 49 Cb -0.09 -0.39 0.03 0.00 -1.10 0.00 0.00 41.96 40.42 2a6i s TYR 49 CO -0.01 -0.53 0.16 0.98 -2.51 0.00 0.00 175.55 173.64 2a6i n TYR 50 N -0.08 -4.37 -3.58 -3.49 9.36 -0.55 -2.80 117.16 111.64 2a6i n TYR 50 Ca -0.07 2.34 -0.23 0.00 3.32 0.00 0.00 57.90 63.25 2a6i n TYR 50 Cb 0.63 -3.99 -0.04 0.00 -0.63 0.00 0.00 39.34 35.31 2a6i n TYR 50 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 2a6i n THR 51 N 1.34 -0.10 -4.62 2.97 5.66 1.59 -4.19 114.28 116.93 2a6i n THR 51 Ca -0.27 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 2a6i n THR 51 Cb 0.42 -0.43 0.00 0.00 -1.55 0.00 0.00 70.33 68.77 2a6i n THR 51 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2a6i n SER 52 N -2.05 -2.55 0.00 1.09 7.64 -0.95 -4.25 113.62 112.55 2a6i n SER 52 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2a6i n SER 52 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2a6i n SER 52 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2a6i n ARG 53 N -0.46 0.00 -2.65 1.43 0.00 -0.68 -4.56 116.66 109.74 2a6i n ARG 53 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 2a6i n ARG 53 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 2a6i n ARG 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2a6i s LEU 54 N 0.00 4.39 0.00 6.15 1.43 -1.12 -4.75 118.68 124.79 2a6i s LEU 54 Ca 0.00 1.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 2a6i s LEU 54 Cb 0.00 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 2a6i s LEU 54 CO 0.00 -0.27 0.00 1.41 0.23 0.00 0.00 176.35 177.72 2a6i n HIS 55 N 3.67 -2.84 0.00 0.29 8.25 -1.26 -1.61 115.22 121.72 2a6i n HIS 55 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2a6i n HIS 55 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 2a6i n HIS 55 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2a6i n SER 56 N -2.18 0.00 0.00 0.41 2.88 -1.25 -4.72 113.62 108.76 2a6i n SER 56 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2a6i n SER 56 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2a6i n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2a6i n GLY 57 N -0.16 0.00 3.88 0.46 0.00 -1.26 -5.15 105.19 102.96 2a6i n GLY 57 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2a6i n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2a6i s VAL 58 N 0.00 5.31 0.21 1.61 -7.23 -1.26 -5.06 120.40 113.98 2a6i s VAL 58 Ca 0.00 -0.20 -0.29 0.00 -1.81 0.00 0.00 61.98 59.68 2a6i s VAL 58 Cb 0.00 -3.47 -0.16 0.00 0.56 0.00 0.00 36.38 33.31 2a6i s VAL 58 CO 0.00 0.33 0.72 -2.65 -0.31 0.00 0.00 175.10 173.19 2a6i n PRO 59 N 1.00 0.45 0.13 4.82 -0.02 -1.26 -4.83 135.00 135.28 2a6i n PRO 59 Ca -0.11 0.16 0.09 0.00 -2.02 0.00 0.00 63.50 61.62 2a6i n PRO 59 Cb 0.53 -1.31 0.47 0.00 -0.02 0.00 0.00 33.50 33.16 2a6i n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2a6i n SER 60 N 1.75 0.47 0.00 2.55 3.41 -1.26 -1.73 113.62 118.81 2a6i n SER 60 Ca 0.16 0.70 0.08 0.00 -0.26 0.00 0.00 58.87 59.54 2a6i n SER 60 Cb 0.26 -0.77 0.36 0.00 -0.26 0.00 0.00 64.21 63.80 2a6i n SER 60 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2a6i n ARG 61 N -2.11 0.09 -3.43 4.33 1.85 -1.26 -4.47 116.66 111.65 2a6i n ARG 61 Ca -0.00 0.19 -0.38 0.00 -1.00 0.00 0.00 57.85 56.66 2a6i n ARG 61 Cb 0.06 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 29.90 2a6i n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2a6i s PHE 62 N -2.83 3.37 0.03 2.89 0.08 -0.71 -1.97 117.98 118.84 2a6i s PHE 62 Ca 0.11 0.55 0.01 0.00 0.12 0.00 0.00 56.93 57.72 2a6i s PHE 62 Cb 0.10 -2.48 -0.02 0.00 -0.57 0.00 0.00 43.02 40.05 2a6i s PHE 62 CO 0.27 0.01 -0.06 0.45 -0.10 0.00 0.00 175.22 175.79 2a6i s SER 63 N 1.03 0.60 0.02 1.36 0.15 -0.49 -5.00 113.70 111.37 2a6i s SER 63 Ca 0.17 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2a6i s SER 63 Cb -0.14 0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.19 2a6i s SER 63 CO 0.07 -0.21 -0.04 -0.83 1.20 0.00 0.00 173.24 173.44 2a6i s GLY 64 N -1.36 0.27 0.36 9.45 0.00 -1.26 -1.14 107.32 113.63 2a6i s GLY 64 Ca -0.11 -0.60 -0.17 0.00 0.00 0.00 0.00 44.72 43.85 2a6i s GLY 64 CO -0.00 -0.66 0.83 -1.35 0.00 0.00 0.00 173.10 171.92 2a6i s SER 65 N -1.44 0.01 0.00 1.64 1.04 -0.81 -1.69 113.70 112.45 2a6i s SER 65 Ca -0.15 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.19 2a6i s SER 65 Cb -0.10 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.82 2a6i s SER 65 CO -0.01 -1.59 0.00 0.61 0.98 0.00 0.00 173.24 173.23 2a6i n GLY 66 N -0.56 2.23 3.51 7.32 0.00 -1.26 -0.42 105.19 116.01 2a6i n GLY 66 Ca -0.08 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 2a6i n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a6i s SER 67 N 0.00 -0.40 0.42 1.61 1.04 -0.05 -4.94 113.70 111.38 2a6i s SER 67 Ca 0.00 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2a6i s SER 67 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2a6i s SER 67 CO 0.00 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2a6i n GLY 68 N -0.30 0.35 0.04 7.32 0.00 -1.26 -1.90 105.19 109.44 2a6i n GLY 68 Ca -0.11 0.63 -0.04 0.00 0.00 0.00 0.00 46.02 46.51 2a6i n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a6i n THR 69 N 0.00 0.56 -4.17 2.61 -2.24 -1.26 -1.16 114.28 108.62 2a6i n THR 69 Ca 0.00 -0.36 -0.35 0.00 -2.27 0.00 0.00 64.05 61.07 2a6i n THR 69 Cb 0.00 -0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 67.43 2a6i n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2a6i s ASP 70 N -4.01 5.43 0.22 3.42 -0.00 -0.80 -0.68 116.67 120.26 2a6i s ASP 70 Ca -0.04 0.10 -0.00 0.00 -0.00 0.00 0.00 52.55 52.60 2a6i s ASP 70 Cb 0.03 -1.80 -0.04 0.00 -0.00 0.00 0.00 42.92 41.10 2a6i s ASP 70 CO 0.36 0.25 0.12 -0.31 -0.00 0.00 0.00 175.17 175.59 2a6i s TYR 71 N -0.12 1.32 -0.10 4.23 1.51 -0.79 -0.88 117.35 122.53 2a6i s TYR 71 Ca 0.06 -1.31 -0.31 0.00 -1.01 0.00 0.00 57.07 54.51 2a6i s TYR 71 Cb -0.12 -0.70 0.10 0.00 -0.11 0.00 0.00 41.96 41.13 2a6i s TYR 71 CO 0.02 -0.52 0.84 -1.54 -1.11 0.00 0.00 175.55 173.23 2a6i s SER 72 N -3.22 -0.52 0.01 2.29 1.04 0.45 -2.63 113.70 111.12 2a6i s SER 72 Ca 0.39 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.37 2a6i s SER 72 Cb 0.07 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 2a6i s SER 72 CO 0.13 -0.48 0.07 -0.22 0.98 0.00 0.00 173.24 173.72 2a6i s LEU 73 N -1.17 3.85 -0.02 2.42 2.96 0.31 -1.92 118.68 125.12 2a6i s LEU 73 Ca -0.06 0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 2a6i s LEU 73 Cb -0.00 -2.29 0.02 0.00 0.50 0.00 0.00 46.19 44.43 2a6i s LEU 73 CO 0.06 0.26 0.01 -0.89 -1.32 0.00 0.00 176.35 174.47 2a6i s THR 74 N -1.21 0.03 -0.59 3.68 2.01 -0.30 -0.53 115.64 118.73 2a6i s THR 74 Ca 0.24 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.41 2a6i s THR 74 Cb -0.12 -0.13 0.15 0.00 0.01 0.00 0.00 72.50 72.41 2a6i s THR 74 CO 0.15 0.09 0.35 -0.63 -0.69 0.00 0.00 174.62 173.89 2a6i s ILE 75 N 0.85 2.81 0.55 1.82 1.01 0.15 -1.39 121.20 126.99 2a6i s ILE 75 Ca -0.08 -3.57 0.49 0.00 0.00 0.00 0.00 60.65 57.49 2a6i s ILE 75 Cb -0.11 -2.90 0.72 0.00 0.01 0.00 0.00 42.46 40.18 2a6i s ILE 75 CO -0.02 -0.87 1.56 -1.54 0.00 0.00 0.00 174.94 174.07 2a6i n SER 76 N 2.80 0.02 -3.34 3.58 3.41 -0.83 -1.66 113.62 117.60 2a6i n SER 76 Ca 0.10 1.03 -0.10 0.00 -0.26 0.00 0.00 58.87 59.63 2a6i n SER 76 Cb 0.33 -0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 63.70 2a6i n SER 76 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2a6i s ASN 77 N -3.90 0.55 0.03 4.04 2.47 -1.17 -3.68 114.94 113.28 2a6i s ASN 77 Ca -0.05 -0.22 -0.30 0.00 0.42 0.00 0.00 52.86 52.71 2a6i s ASN 77 Cb 0.27 1.01 -0.05 0.00 -1.45 0.00 0.00 41.25 41.03 2a6i s ASN 77 CO 0.89 -0.34 1.13 -0.22 -3.72 0.00 0.00 177.10 174.84 2a6i s LEU 78 N 2.51 4.36 0.26 3.21 2.96 0.45 -4.75 118.68 127.68 2a6i s LEU 78 Ca 0.11 1.88 0.08 0.00 -0.22 0.00 0.00 54.13 55.98 2a6i s LEU 78 Cb -0.14 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2a6i s LEU 78 CO -0.25 -0.42 0.14 -1.61 -1.32 0.00 0.00 176.35 172.88 2a6i s GLU 79 N 1.21 2.72 0.17 1.98 2.02 -1.26 -0.16 118.70 125.38 2a6i s GLU 79 Ca 0.56 -1.17 -0.22 0.00 0.02 0.00 0.00 54.97 54.16 2a6i s GLU 79 Cb -0.26 -2.43 0.08 0.00 0.10 0.00 0.00 34.13 31.61 2a6i s GLU 79 CO 0.28 0.38 1.60 0.37 0.02 0.00 0.00 175.26 177.91 2a6i h GLN 80 N 1.61 -0.21 0.00 1.61 5.75 -1.99 0.41 115.11 122.28 2a6i h GLN 80 Ca -0.47 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2a6i h GLN 80 Cb 1.24 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.84 2a6i h GLN 80 CO 0.61 -0.14 0.00 -0.85 -2.65 0.00 0.00 178.83 175.80 2a6i n GLU 81 N -5.42 0.01 0.03 1.69 0.28 -1.26 -1.29 120.64 114.68 2a6i n GLU 81 Ca 0.02 0.40 0.13 0.00 -0.16 0.00 0.00 57.16 57.55 2a6i n GLU 81 Cb 0.33 -1.51 0.45 0.00 1.43 0.00 0.00 31.44 32.14 2a6i n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2a6i n ASP 82 N -1.52 0.35 -4.58 -1.84 8.00 0.14 -4.73 116.55 112.37 2a6i n ASP 82 Ca 0.01 0.34 -0.41 0.00 0.71 0.00 0.00 54.79 55.44 2a6i n ASP 82 Cb 0.07 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 2a6i n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2a6i s ILE 83 N -3.04 3.45 0.00 0.53 -1.09 -0.41 -4.84 121.20 115.79 2a6i s ILE 83 Ca 0.12 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 2a6i s ILE 83 Cb 0.17 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 2a6i s ILE 83 CO 0.60 -0.63 0.00 0.00 -1.23 0.00 0.00 174.94 173.68 2a6i n ALA 84 N 11.33 0.00 -2.86 9.38 0.00 -1.26 -4.82 120.51 132.28 2a6i n ALA 84 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.32 2a6i n ALA 84 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.84 2a6i n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2a6i s THR 85 N -2.66 4.40 -0.12 0.00 2.01 -0.25 -2.38 115.64 116.64 2a6i s THR 85 Ca 0.00 -0.18 -0.00 0.00 0.31 0.00 0.00 61.69 61.82 2a6i s THR 85 Cb 0.00 -2.95 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 2a6i s THR 85 CO 0.00 0.49 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.01 2a6i s TYR 86 N 0.21 2.87 0.01 4.92 1.51 -0.62 -0.14 117.35 126.11 2a6i s TYR 86 Ca 0.01 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 55.73 2a6i s TYR 86 Cb -0.13 -1.83 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 2a6i s TYR 86 CO 0.01 -0.05 -0.22 -0.06 -1.11 0.00 0.00 175.55 174.12 2a6i s PHE 87 N 0.07 1.98 0.41 2.71 0.08 -0.43 -0.84 117.98 121.97 2a6i s PHE 87 Ca -0.04 -0.38 0.08 0.00 0.12 0.00 0.00 56.93 56.71 2a6i s PHE 87 Cb -0.14 -1.23 0.01 0.00 -0.57 0.00 0.00 43.02 41.08 2a6i s PHE 87 CO 0.04 0.03 0.56 0.00 -0.10 0.00 0.00 175.22 175.74 2a6i s GLN 89 N -4.33 0.56 -0.02 0.00 -0.44 -0.32 -1.90 119.66 113.21 2a6i s GLN 89 Ca 0.54 1.04 -0.18 0.00 -2.50 0.00 0.00 55.36 54.26 2a6i s GLN 89 Cb -0.10 0.24 -0.05 0.00 -1.64 0.00 0.00 33.01 31.46 2a6i s GLN 89 CO 0.33 -0.13 0.51 1.14 0.50 0.00 0.00 175.29 177.64 2a6i s GLN 90 N 1.78 4.20 -0.17 1.67 1.03 -0.66 -1.07 119.66 126.45 2a6i s GLN 90 Ca -0.09 0.58 0.16 0.00 0.04 0.00 0.00 55.36 56.06 2a6i s GLN 90 Cb -0.06 -3.32 0.36 0.00 0.03 0.00 0.00 33.01 30.03 2a6i s GLN 90 CO -0.18 0.45 1.21 0.41 -2.54 0.00 0.00 175.29 174.64 2a6i n GLY 91 N 2.36 4.91 0.11 2.60 0.00 0.13 -3.71 105.19 111.59 2a6i n GLY 91 Ca -0.09 -1.19 -0.20 0.00 0.00 0.00 0.00 46.02 44.53 2a6i n GLY 91 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2a6i h ASN 92 N 0.51 0.26 -1.79 1.61 -1.24 -1.83 -3.49 115.58 109.61 2a6i h ASN 92 Ca 0.01 -0.82 -0.60 0.00 0.71 0.00 0.00 56.30 55.60 2a6i h ASN 92 Cb 1.07 -0.08 -0.12 0.00 0.73 0.00 0.00 38.32 39.92 2a6i h ASN 92 CO 0.04 1.47 -0.61 0.42 -1.29 0.00 0.00 177.43 177.46 2a6i s THR 93 N -2.41 2.30 -0.08 -3.57 -4.23 -1.26 -5.13 115.64 101.25 2a6i s THR 93 Ca -0.21 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 58.31 2a6i s THR 93 Cb 0.03 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 70.98 2a6i s THR 93 CO 0.73 -0.11 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.90 2a6i s LEU 94 N -3.72 3.33 0.29 4.79 1.43 -1.26 -3.61 118.68 119.94 2a6i s LEU 94 Ca 0.35 0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 53.23 2a6i s LEU 94 Cb 0.04 -1.74 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 2a6i s LEU 94 CO 0.19 0.36 0.91 -2.16 0.23 0.00 0.00 176.35 175.88 2a6i s PRO 95 N -0.78 4.58 0.38 1.29 0.04 -1.26 -4.92 135.00 134.33 2a6i s PRO 95 Ca 0.12 1.29 -0.28 0.00 0.04 0.00 0.00 61.00 62.17 2a6i s PRO 95 Cb -0.11 -2.89 -0.11 0.00 0.04 0.00 0.00 34.50 31.43 2a6i s PRO 95 CO 0.02 0.33 1.45 0.54 0.04 0.00 0.00 177.00 179.38 2a6i n ARG 96 N 0.73 2.55 -4.16 4.56 5.12 -1.24 -4.78 116.66 119.45 2a6i n ARG 96 Ca 0.01 0.90 -0.17 0.00 -1.93 0.00 0.00 57.85 56.65 2a6i n ARG 96 Cb 0.50 -2.61 -0.12 0.00 -1.16 0.00 0.00 32.46 29.07 2a6i n ARG 96 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2a6i s THR 97 N -1.12 1.03 0.28 0.55 -4.23 -1.24 -5.02 115.64 105.89 2a6i s THR 97 Ca 0.54 -1.29 0.09 0.00 -1.18 0.00 0.00 61.69 59.85 2a6i s THR 97 Cb -0.49 -1.02 -0.04 0.00 1.34 0.00 0.00 72.50 72.29 2a6i s THR 97 CO 0.63 -0.26 0.06 -0.36 -0.54 0.00 0.00 174.62 174.15 2a6i s PHE 98 N -1.33 2.76 0.46 3.99 0.08 -1.26 -1.65 117.98 121.03 2a6i s PHE 98 Ca -0.03 -0.24 -0.02 0.00 0.12 0.00 0.00 56.93 56.76 2a6i s PHE 98 Cb -0.10 -1.32 -0.02 0.00 -0.57 0.00 0.00 43.02 41.01 2a6i s PHE 98 CO 0.02 0.54 0.72 0.20 -0.10 0.00 0.00 175.22 176.60 2a6i s GLY 99 N -3.74 1.51 0.62 4.36 0.00 -0.80 -4.38 107.32 104.89 2a6i s GLY 99 Ca 0.33 -0.81 0.30 0.00 0.00 0.00 0.00 44.72 44.54 2a6i s GLY 99 CO 0.21 -0.64 2.02 -1.33 0.00 0.00 0.00 173.10 173.36 2a6i h GLY 100 N 0.32 0.00 0.00 0.20 0.00 -1.89 -3.42 103.07 98.28 2a6i h GLY 100 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2a6i h GLY 100 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.75 2a6i n GLY 101 N -1.36 1.75 2.91 4.60 0.00 -1.26 -5.02 105.19 106.80 2a6i n GLY 101 Ca 0.02 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.07 2a6i n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a6i s THR 102 N -2.13 1.14 -0.25 2.61 2.01 -0.02 -4.48 115.64 114.52 2a6i s THR 102 Ca 0.00 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 2a6i s THR 102 Cb 0.00 -1.25 -0.05 0.00 0.01 0.00 0.00 72.50 71.21 2a6i s THR 102 CO 0.00 0.21 0.20 -0.75 -0.69 0.00 0.00 174.62 173.59 2a6i s LYS 103 N 1.63 4.04 0.52 4.92 2.20 -0.00 -1.58 119.74 131.47 2a6i s LYS 103 Ca 0.02 -0.23 -0.13 0.00 -0.36 0.00 0.00 55.97 55.27 2a6i s LYS 103 Cb -0.14 -3.58 -0.06 0.00 -1.51 0.00 0.00 37.83 32.54 2a6i s LYS 103 CO -0.08 -0.03 0.94 -0.51 -0.36 0.00 0.00 175.35 175.30 2a6i s LEU 104 N 1.33 3.55 0.19 5.43 1.43 -1.00 -1.13 118.68 128.47 2a6i s LEU 104 Ca 0.09 1.38 -0.10 0.00 -1.03 0.00 0.00 54.13 54.46 2a6i s LEU 104 Cb -0.14 -4.34 -0.01 0.00 0.03 0.00 0.00 46.19 41.73 2a6i s LEU 104 CO 0.07 -0.63 0.33 -1.83 0.23 0.00 0.00 176.35 174.51 2a6i s GLU 105 N -4.43 1.26 0.03 1.70 4.04 -0.74 -4.57 118.70 115.99 2a6i s GLU 105 Ca 0.55 -1.20 -0.19 0.00 0.04 0.00 0.00 54.97 54.16 2a6i s GLU 105 Cb -0.10 0.40 -0.06 0.00 0.02 0.00 0.00 34.13 34.38 2a6i s GLU 105 CO 0.39 -0.48 0.56 0.42 -1.84 0.00 0.00 175.26 174.31 2a6i s ILE 106 N -3.99 4.85 0.06 1.83 -1.09 -1.26 -2.70 121.20 118.91 2a6i s ILE 106 Ca 0.19 1.18 -0.31 0.00 -2.23 0.00 0.00 60.65 59.48 2a6i s ILE 106 Cb 0.02 -3.89 -0.07 0.00 -1.58 0.00 0.00 42.46 36.95 2a6i s ILE 106 CO 0.03 0.50 1.46 -0.54 -1.23 0.00 0.00 174.94 175.15 2a6i s LYS 107 N -0.69 4.28 0.28 2.79 1.02 -1.00 -4.86 119.74 121.56 2a6i s LYS 107 Ca 0.29 2.10 0.02 0.00 0.02 0.00 0.00 55.97 58.40 2a6i s LYS 107 Cb -0.19 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 33.64 2a6i s LYS 107 CO 0.17 -0.56 0.12 0.50 -0.92 0.00 0.00 175.35 174.66 2a6i s ARG 108 N 1.91 1.51 0.27 1.68 3.52 -1.26 -4.97 118.95 121.60 2a6i s ARG 108 Ca 0.66 -1.84 -0.15 0.00 -0.13 0.00 0.00 55.73 54.28 2a6i s ARG 108 Cb -0.36 -0.25 -0.08 0.00 -1.56 0.00 0.00 34.95 32.70 2a6i s ARG 108 CO 0.29 -0.35 0.68 0.00 -0.81 0.00 0.00 175.30 175.11 2a6i s ALA 109 N -3.66 3.41 0.27 6.12 0.00 -1.26 -4.97 121.76 121.67 2a6i s ALA 109 Ca 0.36 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 2a6i s ALA 109 Cb 0.07 -2.69 -0.13 0.00 0.00 0.00 0.00 23.12 20.36 2a6i s ALA 109 CO 0.15 0.38 1.33 -0.25 0.00 0.00 0.00 175.76 177.37 2a6i n ASP 110 N -0.00 2.58 -3.67 0.00 8.00 -1.26 -4.78 116.55 117.42 2a6i n ASP 110 Ca 0.01 1.16 -0.19 0.00 0.71 0.00 0.00 54.79 56.49 2a6i n ASP 110 Cb 0.52 -1.42 -0.17 0.00 -0.02 0.00 0.00 41.12 40.03 2a6i n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a6i s ALA 111 N -0.43 0.06 0.44 2.24 0.00 -0.31 -4.93 121.76 118.84 2a6i s ALA 111 Ca 0.64 0.34 -0.23 0.00 0.00 0.00 0.00 51.96 52.71 2a6i s ALA 111 Cb -0.64 -0.72 -0.08 0.00 0.00 0.00 0.00 23.12 21.68 2a6i s ALA 111 CO 0.54 -0.54 1.16 0.00 0.00 0.00 0.00 175.76 176.91 2a6i s ALA 112 N 2.22 3.02 0.54 0.00 0.00 -1.26 -0.90 121.76 125.38 2a6i s ALA 112 Ca 0.04 0.92 -0.19 0.00 0.00 0.00 0.00 51.96 52.73 2a6i s ALA 112 Cb -0.12 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 2a6i s ALA 112 CO -0.04 -0.60 1.10 -1.25 0.00 0.00 0.00 175.76 174.97 2a6i s PRO 113 N -2.61 3.42 -0.14 0.00 0.04 -1.26 -4.65 135.00 129.80 2a6i s PRO 113 Ca 0.62 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 63.02 2a6i s PRO 113 Cb -0.28 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 2a6i s PRO 113 CO 0.35 -0.77 0.25 0.99 0.04 0.00 0.00 177.00 177.86 2a6i s THR 114 N -1.94 5.33 -0.06 1.26 2.01 -0.53 -4.86 115.64 116.85 2a6i s THR 114 Ca 0.70 0.46 0.04 0.00 0.31 0.00 0.00 61.69 63.20 2a6i s THR 114 Cb -0.21 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 2a6i s THR 114 CO 0.27 0.46 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.80 2a6i s VAL 115 N -0.01 2.75 -0.02 3.82 1.01 -1.26 -0.75 120.40 125.94 2a6i s VAL 115 Ca 0.15 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.31 2a6i s VAL 115 Cb -0.13 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.20 2a6i s VAL 115 CO 0.04 0.58 -0.01 -0.44 0.00 0.00 0.00 175.10 175.26 2a6i s SER 116 N -0.45 0.36 0.14 3.32 0.01 -0.57 -4.99 113.70 111.52 2a6i s SER 116 Ca 0.05 -0.04 0.09 0.00 1.31 0.00 0.00 55.95 57.37 2a6i s SER 116 Cb -0.12 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 2a6i s SER 116 CO 0.02 -0.04 -0.16 -0.51 0.41 0.00 0.00 173.24 172.96 2a6i s ILE 117 N 0.52 2.91 -0.06 1.44 2.07 -1.26 -1.41 121.20 125.41 2a6i s ILE 117 Ca -0.05 -1.60 -0.02 0.00 -1.41 0.00 0.00 60.65 57.57 2a6i s ILE 117 Cb -0.08 -2.37 0.04 0.00 0.13 0.00 0.00 42.46 40.17 2a6i s ILE 117 CO -0.01 0.02 0.11 -0.36 -1.91 0.00 0.00 174.94 172.79 2a6i s PHE 118 N -1.37 -0.09 1.10 3.50 0.40 0.13 -4.97 117.98 116.68 2a6i s PHE 118 Ca 0.20 0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 56.80 2a6i s PHE 118 Cb -0.10 -0.20 0.24 0.00 0.51 0.00 0.00 43.02 43.47 2a6i s PHE 118 CO 0.12 -0.17 1.07 -2.14 0.70 0.00 0.00 175.22 174.79 2a6i s PRO 119 N 1.50 -0.37 0.60 0.24 0.02 -1.26 -1.65 135.00 134.07 2a6i s PRO 119 Ca -0.05 0.51 -0.18 0.00 0.02 0.00 0.00 61.00 61.29 2a6i s PRO 119 Cb -0.12 -1.64 -0.03 0.00 0.02 0.00 0.00 34.50 32.72 2a6i s PRO 119 CO -0.05 -3.27 1.19 -2.14 -0.33 0.00 0.00 177.00 172.40 2a6i s PRO 120 N -4.86 2.97 0.26 5.54 0.02 -1.25 -4.73 135.00 132.95 2a6i s PRO 120 Ca 0.67 1.76 -0.24 0.00 0.02 0.00 0.00 61.00 63.21 2a6i s PRO 120 Cb -0.20 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.30 2a6i s PRO 120 CO 0.60 -1.19 0.84 -1.54 -0.33 0.00 0.00 177.00 175.38 2a6i s SER 121 N -1.71 7.26 0.18 2.53 1.04 -1.26 -4.93 113.70 116.81 2a6i s SER 121 Ca 0.76 1.66 -0.17 0.00 0.48 0.00 0.00 55.95 58.68 2a6i s SER 121 Cb -0.29 -2.51 0.14 0.00 0.10 0.00 0.00 66.02 63.46 2a6i s SER 121 CO 0.33 0.02 1.63 0.28 0.98 0.00 0.00 173.24 176.48 2a6i h SER 122 N 3.46 -0.65 -0.53 7.02 0.02 -2.00 -0.59 113.55 120.29 2a6i h SER 122 Ca -0.47 0.17 0.08 0.00 -0.84 0.00 0.00 61.79 60.73 2a6i h SER 122 Cb 1.19 0.37 -0.10 0.00 0.14 0.00 0.00 62.40 64.01 2a6i h SER 122 CO 0.65 -0.22 -0.44 -0.08 -1.14 0.00 0.00 176.83 175.60 2a6i h GLU 123 N -0.08 -0.25 -0.55 3.45 4.81 -2.01 -1.99 114.58 117.97 2a6i h GLU 123 Ca 0.23 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2a6i h GLU 123 Cb 0.43 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2a6i h GLU 123 CO -0.54 -0.17 0.34 0.37 -0.73 0.00 0.00 179.01 178.29 2a6i h GLN 124 N -0.26 0.74 -0.93 1.92 4.15 -1.56 -2.88 115.11 116.28 2a6i h GLN 124 Ca 0.16 -0.06 0.12 0.00 0.77 0.00 0.00 58.65 59.64 2a6i h GLN 124 Cb 0.57 -0.16 -0.07 0.00 0.21 0.00 0.00 27.48 28.03 2a6i h GLN 124 CO -0.66 0.52 0.60 -0.07 -1.93 0.00 0.00 178.83 177.29 2a6i h LEU 125 N 0.74 0.81 -0.73 -2.39 3.38 -0.44 0.19 115.31 116.86 2a6i h LEU 125 Ca 0.20 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2a6i h LEU 125 Cb -0.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2a6i h LEU 125 CO -0.04 0.44 0.00 0.35 0.09 0.00 0.00 178.44 179.28 2a6i n THR 126 N -4.57 1.17 0.50 0.22 -2.24 -0.90 0.89 114.28 109.35 2a6i n THR 126 Ca 0.17 0.48 0.11 0.00 -2.27 0.00 0.00 64.05 62.54 2a6i n THR 126 Cb 0.37 -1.42 0.26 0.00 -2.10 0.00 0.00 70.33 67.44 2a6i n THR 126 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2a6i n SER 127 N -1.99 2.96 0.00 3.42 7.64 0.66 -4.93 113.62 121.38 2a6i n SER 127 Ca 0.01 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.96 2a6i n SER 127 Cb 0.10 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2a6i n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a6i n GLY 128 N 1.40 0.53 3.73 0.23 0.00 0.26 -5.02 105.19 106.32 2a6i n GLY 128 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2a6i n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a6i s GLY 129 N -2.00 1.99 -0.22 -0.02 0.00 -1.18 -1.15 107.32 104.75 2a6i s GLY 129 Ca 0.00 -1.86 -0.07 0.00 0.00 0.00 0.00 44.72 42.79 2a6i s GLY 129 CO 0.00 -1.78 0.45 0.00 0.00 0.00 0.00 173.10 171.77 2a6i s ALA 130 N -2.45 -1.30 -0.11 3.20 0.00 -0.32 -3.37 121.76 117.41 2a6i s ALA 130 Ca 0.38 1.61 0.01 0.00 0.00 0.00 0.00 51.96 53.96 2a6i s ALA 130 Cb -0.02 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.70 2a6i s ALA 130 CO 0.22 -0.81 -0.15 -1.12 0.00 0.00 0.00 175.76 173.91 2a6i s SER 131 N 2.66 2.44 -0.16 0.00 0.01 -1.26 0.27 113.70 117.66 2a6i s SER 131 Ca -0.02 -0.43 -0.10 0.00 1.31 0.00 0.00 55.95 56.72 2a6i s SER 131 Cb -0.12 -1.08 -0.05 0.00 0.21 0.00 0.00 66.02 64.98 2a6i s SER 131 CO -0.14 0.00 0.18 -0.69 0.41 0.00 0.00 173.24 173.00 2a6i s VAL 132 N 1.08 5.40 0.06 3.43 1.01 0.90 -3.92 120.40 128.35 2a6i s VAL 132 Ca -0.05 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.29 2a6i s VAL 132 Cb -0.15 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 2a6i s VAL 132 CO -0.03 0.48 -0.13 -0.69 0.00 0.00 0.00 175.10 174.74 2a6i s VAL 133 N -0.05 3.19 -0.10 2.92 1.01 -0.66 -1.23 120.40 125.48 2a6i s VAL 133 Ca 0.12 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.93 2a6i s VAL 133 Cb -0.12 -2.41 0.05 0.00 0.00 0.00 0.00 36.38 33.90 2a6i s VAL 133 CO 0.01 0.27 0.21 0.00 0.00 0.00 0.00 175.10 175.59 2a6i s PHE 135 N 2.20 3.31 -0.32 0.00 0.08 -0.50 -0.80 117.98 121.94 2a6i s PHE 135 Ca 0.01 0.21 -0.00 0.00 0.12 0.00 0.00 56.93 57.26 2a6i s PHE 135 Cb -0.12 -1.73 0.10 0.00 -0.57 0.00 0.00 43.02 40.70 2a6i s PHE 135 CO -0.07 0.56 0.10 -0.51 -0.10 0.00 0.00 175.22 175.20 2a6i s LEU 136 N -1.90 2.42 0.07 -0.37 1.02 0.34 -1.51 118.68 118.75 2a6i s LEU 136 Ca 0.25 -1.74 0.03 0.00 0.02 0.00 0.00 54.13 52.68 2a6i s LEU 136 Cb -0.12 -0.92 -0.04 0.00 0.02 0.00 0.00 46.19 45.13 2a6i s LEU 136 CO 0.16 -0.40 0.09 0.20 0.02 0.00 0.00 176.35 176.42 2a6i s ASN 137 N 1.49 5.59 -1.06 2.29 0.01 0.07 -0.74 114.94 122.59 2a6i s ASN 137 Ca 0.10 0.02 -0.17 0.00 -0.71 0.00 0.00 52.86 52.10 2a6i s ASN 137 Cb -0.18 -1.52 -0.00 0.00 0.41 0.00 0.00 41.25 39.96 2a6i s ASN 137 CO -0.22 0.18 0.75 0.59 -1.51 0.00 0.00 177.10 176.89 2a6i n ASN 138 N 0.51 -5.46 -4.54 -1.22 4.13 -0.88 -1.45 115.26 106.34 2a6i n ASN 138 Ca -0.09 -0.93 -0.24 0.00 1.68 0.00 0.00 54.58 55.00 2a6i n ASN 138 Cb 0.52 -3.23 -0.09 0.00 -1.54 0.00 0.00 39.78 35.43 2a6i n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2a6i s PHE 139 N -3.35 2.48 -0.25 3.10 -0.12 0.80 -4.55 117.98 116.09 2a6i s PHE 139 Ca 0.36 -0.28 -0.20 0.00 -0.05 0.00 0.00 56.93 56.76 2a6i s PHE 139 Cb -0.14 -1.12 0.07 0.00 -0.63 0.00 0.00 43.02 41.20 2a6i s PHE 139 CO 0.86 0.63 0.64 -0.47 -0.05 0.00 0.00 175.22 176.83 2a6i s TYR 140 N -2.21 -0.79 1.18 3.49 6.14 -0.08 -0.04 117.35 125.03 2a6i s TYR 140 Ca 0.28 1.80 -0.18 0.00 0.64 0.00 0.00 57.07 59.61 2a6i s TYR 140 Cb -0.06 0.34 0.28 0.00 0.42 0.00 0.00 41.96 42.93 2a6i s TYR 140 CO 0.16 -0.39 1.12 -1.25 0.64 0.00 0.00 175.55 175.83 2a6i s PRO 141 N 0.73 -1.02 0.01 4.97 0.04 -1.26 -1.16 135.00 137.31 2a6i s PRO 141 Ca -0.03 -0.03 0.18 0.00 0.04 0.00 0.00 61.00 61.16 2a6i s PRO 141 Cb -0.05 -1.62 0.76 0.00 0.04 0.00 0.00 34.50 33.64 2a6i s PRO 141 CO -0.05 -3.58 1.57 0.36 0.04 0.00 0.00 177.00 175.34 2a6i n LYS 142 N -4.68 0.01 -2.74 4.56 2.85 -1.26 -4.75 118.16 112.15 2a6i n LYS 142 Ca 0.12 0.21 -0.42 0.00 -1.05 0.00 0.00 58.31 57.17 2a6i n LYS 142 Cb 0.59 -1.52 -0.03 0.00 -0.65 0.00 0.00 35.03 33.42 2a6i n LYS 142 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2a6i s ASP 143 N -3.07 7.30 -0.06 -5.58 1.01 -1.26 -5.01 116.67 110.00 2a6i s ASP 143 Ca 0.08 1.58 -0.31 0.00 0.71 0.00 0.00 52.55 54.61 2a6i s ASP 143 Cb 0.11 -2.55 0.07 0.00 1.01 0.00 0.00 42.92 41.57 2a6i s ASP 143 CO 0.33 -0.30 0.69 -0.51 0.21 0.00 0.00 175.17 175.59 2a6i s ILE 144 N 1.26 0.00 -0.10 0.77 2.07 -1.26 -4.68 121.20 119.27 2a6i s ILE 144 Ca 0.50 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.76 2a6i s ILE 144 Cb -0.20 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.40 2a6i s ILE 144 CO 0.24 0.00 -0.17 0.20 -1.91 0.00 0.00 174.94 173.31 2a6i s ASN 145 N -1.16 2.43 -0.04 4.50 0.01 -0.95 -5.00 114.94 114.73 2a6i s ASN 145 Ca -0.11 -0.43 0.01 0.00 -0.71 0.00 0.00 52.86 51.62 2a6i s ASN 145 Cb -0.00 -1.10 -0.03 0.00 0.41 0.00 0.00 41.25 40.52 2a6i s ASN 145 CO 0.10 0.05 -0.03 0.54 -1.51 0.00 0.00 177.10 176.25 2a6i s VAL 146 N 0.77 4.00 -0.01 1.60 0.11 -1.26 -0.92 120.40 124.68 2a6i s VAL 146 Ca -0.11 -0.51 0.04 0.00 -2.93 0.00 0.00 61.98 58.46 2a6i s VAL 146 Cb -0.16 -2.72 -0.01 0.00 -1.53 0.00 0.00 36.38 31.97 2a6i s VAL 146 CO 0.02 0.49 -0.12 -0.75 -3.33 0.00 0.00 175.10 171.40 2a6i s LYS 147 N -1.19 1.05 -0.09 1.54 2.20 0.44 -4.96 119.74 118.72 2a6i s LYS 147 Ca 0.16 -0.44 0.02 0.00 -0.36 0.00 0.00 55.97 55.34 2a6i s LYS 147 Cb -0.11 -1.00 -0.02 0.00 -1.51 0.00 0.00 37.83 35.18 2a6i s LYS 147 CO 0.06 0.25 -0.13 -1.58 -0.36 0.00 0.00 175.35 173.59 2a6i s TRP 148 N -0.22 2.78 -0.02 4.03 0.52 -1.26 -0.54 118.94 124.23 2a6i s TRP 148 Ca 0.03 -0.33 0.05 0.00 0.02 0.00 0.00 56.10 55.88 2a6i s TRP 148 Cb -0.06 -1.74 -0.01 0.00 -1.15 0.00 0.00 33.47 30.52 2a6i s TRP 148 CO -0.00 0.04 -0.18 0.15 0.02 0.00 0.00 176.95 176.98 2a6i s LYS 149 N -0.27 1.48 -0.17 4.98 1.02 -0.84 -4.03 119.74 121.91 2a6i s LYS 149 Ca 0.02 -0.63 -0.00 0.00 0.02 0.00 0.00 55.97 55.37 2a6i s LYS 149 Cb -0.13 -1.41 0.00 0.00 -0.52 0.00 0.00 37.83 35.77 2a6i s LYS 149 CO 0.03 0.37 -0.14 0.42 -0.92 0.00 0.00 175.35 175.10 2a6i s ILE 150 N -0.37 2.66 -1.27 2.17 1.01 0.25 -1.16 121.20 124.50 2a6i s ILE 150 Ca 0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 2a6i s ILE 150 Cb -0.07 -2.14 0.03 0.00 0.01 0.00 0.00 42.46 40.29 2a6i s ILE 150 CO -0.00 0.51 0.30 0.47 0.00 0.00 0.00 174.94 176.21 2a6i n ASP 151 N 4.27 -4.35 0.00 3.58 8.00 0.14 -2.08 116.55 126.10 2a6i n ASP 151 Ca -0.19 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.18 2a6i n ASP 151 Cb 0.51 -3.61 0.00 0.00 -0.02 0.00 0.00 41.12 38.00 2a6i n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a6i n GLY 152 N -1.09 0.79 3.56 0.44 0.00 -1.26 -4.98 105.19 102.65 2a6i n GLY 152 Ca -0.10 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 2a6i n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a6i s SER 153 N -2.00 -0.15 0.00 1.61 1.04 -0.88 -5.04 113.70 108.28 2a6i s SER 153 Ca 0.00 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2a6i s SER 153 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2a6i s SER 153 CO 0.00 -1.09 0.00 -1.84 0.98 0.00 0.00 173.24 171.29 2a6i n GLU 154 N -0.35 0.00 -0.59 4.02 -0.00 -1.26 -0.58 120.64 121.88 2a6i n GLU 154 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.10 2a6i n GLU 154 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.06 2a6i n GLU 154 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2a6i n ARG 155 N 0.00 0.00 0.00 3.44 3.00 -1.26 -3.48 116.66 118.36 2a6i n ARG 155 Ca 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 57.85 58.14 2a6i n ARG 155 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 32.46 32.17 2a6i n ARG 155 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2a6i n GLN 156 N 1.23 3.06 -2.70 -0.14 6.02 -1.26 -4.37 117.38 119.21 2a6i n GLN 156 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 2a6i n GLN 156 Cb 0.00 -0.37 -0.05 0.00 1.02 0.00 0.00 30.24 30.84 2a6i n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2a6i s ASN 157 N -0.41 7.54 0.00 1.08 0.01 -1.26 -3.37 114.94 118.53 2a6i s ASN 157 Ca 0.00 1.94 0.00 0.00 -0.71 0.00 0.00 52.86 54.09 2a6i s ASN 157 Cb 0.00 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.06 2a6i s ASN 157 CO 0.00 0.03 0.00 0.61 -1.51 0.00 0.00 177.10 176.23 2a6i n GLY 158 N 1.76 2.63 3.60 0.66 0.00 -1.26 -4.69 105.19 107.89 2a6i n GLY 158 Ca -0.00 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2a6i n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a6i s VAL 159 N -1.40 3.07 -0.12 1.61 1.01 -1.22 -3.95 120.40 119.39 2a6i s VAL 159 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.07 2a6i s VAL 159 Cb 0.00 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.28 2a6i s VAL 159 CO 0.00 -0.06 -0.19 -0.76 0.00 0.00 0.00 175.10 174.10 2a6i s LEU 160 N 8.22 2.38 0.17 3.92 1.43 -0.49 -4.94 118.68 129.37 2a6i s LEU 160 Ca 0.98 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 53.69 2a6i s LEU 160 Cb -0.31 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2a6i s LEU 160 CO 0.35 0.15 0.01 0.20 0.23 0.00 0.00 176.35 177.29 2a6i s ASN 161 N 0.42 4.85 -0.01 2.29 0.02 -1.26 -1.39 114.94 119.85 2a6i s ASN 161 Ca -0.14 -0.37 -0.00 0.00 -1.02 0.00 0.00 52.86 51.33 2a6i s ASN 161 Cb -0.17 -1.06 0.00 0.00 0.02 0.00 0.00 41.25 40.05 2a6i s ASN 161 CO 0.06 0.09 0.02 -0.44 0.02 0.00 0.00 177.10 176.85 2a6i s SER 162 N -2.94 -0.01 -0.03 -1.22 0.01 0.36 -4.99 113.70 104.89 2a6i s SER 162 Ca 0.28 0.03 0.05 0.00 1.31 0.00 0.00 55.95 57.62 2a6i s SER 162 Cb -0.09 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.15 2a6i s SER 162 CO 0.19 -0.02 -0.18 0.26 0.41 0.00 0.00 173.24 173.90 2a6i s TRP 163 N 0.10 1.69 0.70 2.43 0.51 -1.26 -0.48 118.94 122.63 2a6i s TRP 163 Ca -0.01 -0.38 -0.06 0.00 -2.12 0.00 0.00 56.10 53.53 2a6i s TRP 163 Cb -0.01 -1.10 0.07 0.00 -0.81 0.00 0.00 33.47 31.61 2a6i s TRP 163 CO -0.00 -0.08 1.01 0.95 -0.51 0.00 0.00 176.95 178.31 2a6i s THR 164 N -0.26 2.28 0.58 2.01 -4.23 -0.48 -5.02 115.64 110.52 2a6i s THR 164 Ca 0.03 -0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.22 2a6i s THR 164 Cb -0.09 -2.97 0.04 0.00 1.34 0.00 0.00 72.50 70.81 2a6i s THR 164 CO 0.00 0.00 0.84 -1.81 -0.54 0.00 0.00 174.62 173.11 2a6i s ASP 165 N -4.54 5.23 0.43 3.99 1.01 -1.26 -4.65 116.67 116.87 2a6i s ASP 165 Ca 0.61 0.19 -0.24 0.00 0.71 0.00 0.00 52.55 53.83 2a6i s ASP 165 Cb -0.10 -1.06 -0.11 0.00 1.01 0.00 0.00 42.92 42.66 2a6i s ASP 165 CO 0.45 -1.22 0.94 1.67 0.21 0.00 0.00 175.17 177.22 2a6i n GLN 166 N -2.49 1.20 -1.92 8.23 7.27 -1.26 -4.76 117.38 123.64 2a6i n GLN 166 Ca 0.07 0.43 -0.32 0.00 0.07 0.00 0.00 57.00 57.25 2a6i n GLN 166 Cb 0.60 -1.96 0.02 0.00 2.41 0.00 0.00 30.24 31.30 2a6i n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2a6i s ASP 167 N -0.80 5.85 0.01 1.69 2.15 -0.48 -4.97 116.67 120.13 2a6i s ASP 167 Ca 0.64 1.65 0.13 0.00 0.43 0.00 0.00 52.55 55.40 2a6i s ASP 167 Cb -0.56 -2.51 -0.19 0.00 -0.30 0.00 0.00 42.92 39.36 2a6i s ASP 167 CO 0.56 -1.12 0.80 0.77 -0.17 0.00 0.00 175.17 176.02 2a6i h SER 168 N 0.02 0.00 0.00 -0.34 4.64 -1.91 -3.39 113.55 112.57 2a6i h SER 168 Ca -0.45 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.77 2a6i h SER 168 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2a6i h SER 168 CO 0.59 0.88 -0.57 0.50 -0.87 0.00 0.00 176.83 177.36 2a6i h LYS 169 N 0.00 0.00 -5.97 4.77 1.63 -1.99 -3.47 116.57 111.54 2a6i h LYS 169 Ca -0.21 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.04 2a6i h LYS 169 Cb 1.86 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 33.42 2a6i h LYS 169 CO 0.08 0.88 -0.46 0.16 -3.45 0.00 0.00 179.45 176.65 2a6i s ASP 170 N -6.42 4.60 -0.47 4.20 1.47 -1.26 -5.04 116.67 113.75 2a6i s ASP 170 Ca -0.22 -0.99 0.03 0.00 1.18 0.00 0.00 52.55 52.55 2a6i s ASP 170 Cb 0.01 -0.49 0.47 0.00 -0.34 0.00 0.00 42.92 42.57 2a6i s ASP 170 CO 0.58 -0.58 1.65 -1.20 0.68 0.00 0.00 175.17 176.29 2a6i n SER 171 N -1.33 5.77 -4.96 2.11 7.64 -1.26 -3.95 113.62 117.64 2a6i n SER 171 Ca 0.00 -3.77 -0.23 0.00 1.01 0.00 0.00 58.87 55.89 2a6i n SER 171 Cb 0.64 -0.69 0.04 0.00 -1.01 0.00 0.00 64.21 63.18 2a6i n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2a6i s THR 172 N -4.45 3.01 0.26 0.44 -4.23 -1.26 -4.60 115.64 104.81 2a6i s THR 172 Ca 0.57 -0.49 0.12 0.00 -1.18 0.00 0.00 61.69 60.71 2a6i s THR 172 Cb 0.46 -3.16 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 2a6i s THR 172 CO 0.02 -0.13 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.46 2a6i s TYR 173 N -2.82 2.31 0.02 3.99 1.51 0.95 -1.39 117.35 121.92 2a6i s TYR 173 Ca 0.55 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 56.29 2a6i s TYR 173 Cb -0.10 -1.03 -0.02 0.00 -0.11 0.00 0.00 41.96 40.70 2a6i s TYR 173 CO 0.40 0.66 -0.04 -1.12 -1.11 0.00 0.00 175.55 174.35 2a6i s SER 174 N -3.31 0.35 0.02 2.29 0.01 -1.26 -0.14 113.70 111.65 2a6i s SER 174 Ca 0.28 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2a6i s SER 174 Cb -0.06 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.23 2a6i s SER 174 CO 0.14 -0.23 -0.03 -0.32 0.41 0.00 0.00 173.24 173.21 2a6i s MET 175 N -1.27 0.27 -0.03 12.44 0.00 0.08 -1.39 119.30 129.40 2a6i s MET 175 Ca -0.12 -0.52 0.05 0.00 0.00 0.00 0.00 55.69 55.09 2a6i s MET 175 Cb -0.09 0.07 -0.01 0.00 0.00 0.00 0.00 34.83 34.81 2a6i s MET 175 CO -0.01 -0.04 -0.18 0.45 0.00 0.00 0.00 175.02 175.24 2a6i s SER 176 N -1.24 2.23 -0.05 1.11 0.15 0.37 -0.51 113.70 115.76 2a6i s SER 176 Ca -0.13 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.19 2a6i s SER 176 Cb -0.08 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 2a6i s SER 176 CO -0.01 0.19 -0.14 -0.55 1.20 0.00 0.00 173.24 173.94 2a6i s SER 177 N -0.19 1.82 -0.07 5.45 0.15 0.02 -0.48 113.70 120.39 2a6i s SER 177 Ca 0.01 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2a6i s SER 177 Cb -0.10 -0.62 0.02 0.00 -1.71 0.00 0.00 66.02 63.62 2a6i s SER 177 CO 0.01 0.09 -0.06 -0.89 1.20 0.00 0.00 173.24 173.59 2a6i s THR 178 N 0.29 0.74 -0.22 6.45 2.01 -0.49 -1.44 115.64 122.98 2a6i s THR 178 Ca -0.07 -0.18 -0.10 0.00 0.31 0.00 0.00 61.69 61.65 2a6i s THR 178 Cb -0.12 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 2a6i s THR 178 CO 0.02 0.29 0.13 -0.22 -0.69 0.00 0.00 174.62 174.16 2a6i s LEU 179 N 1.29 4.01 -0.05 4.42 2.96 -0.36 -1.40 118.68 129.55 2a6i s LEU 179 Ca -0.04 0.10 0.06 0.00 -0.22 0.00 0.00 54.13 54.02 2a6i s LEU 179 Cb -0.14 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 2a6i s LEU 179 CO -0.02 0.10 -0.25 -0.89 -1.32 0.00 0.00 176.35 173.96 2a6i s THR 180 N 0.86 2.10 0.32 3.68 2.01 -1.25 -0.07 115.64 123.29 2a6i s THR 180 Ca 0.07 -1.06 0.03 0.00 0.31 0.00 0.00 61.69 61.04 2a6i s THR 180 Cb -0.13 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 2a6i s THR 180 CO 0.03 0.57 0.36 0.18 -0.69 0.00 0.00 174.62 175.07 2a6i n LEU 181 N 2.87 0.00 -4.91 4.42 4.77 0.14 -4.62 117.00 119.66 2a6i n LEU 181 Ca -0.17 -2.82 -0.27 0.00 -0.03 0.00 0.00 56.01 52.72 2a6i n LEU 181 Cb 0.52 1.96 0.01 0.00 -2.33 0.00 0.00 43.42 43.57 2a6i n LEU 181 CO 0.25 -0.55 0.43 0.42 -1.33 0.00 0.00 177.39 176.61 2a6i s THR 182 N -3.04 4.60 0.20 -5.08 -4.23 -1.26 -1.17 115.64 105.66 2a6i s THR 182 Ca 0.32 0.06 -0.10 0.00 -1.18 0.00 0.00 61.69 60.79 2a6i s THR 182 Cb 0.01 -3.75 0.15 0.00 1.34 0.00 0.00 72.50 70.24 2a6i s THR 182 CO 0.23 -0.71 1.72 0.50 -0.54 0.00 0.00 174.62 175.82 2a6i h LYS 183 N 0.19 0.30 0.28 3.99 3.64 -1.35 -1.72 116.57 121.90 2a6i h LYS 183 Ca -0.47 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2a6i h LYS 183 Cb 1.22 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2a6i h LYS 183 CO 0.61 0.20 -0.21 -0.44 -2.27 0.00 0.00 179.45 177.34 2a6i h ASP 184 N 0.31 -0.54 -0.60 4.20 3.32 -1.93 0.11 116.42 121.28 2a6i h ASP 184 Ca 0.30 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.43 2a6i h ASP 184 Cb 0.41 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 2a6i h ASP 184 CO -0.35 -0.32 0.35 -0.08 -1.72 0.00 0.00 179.24 177.12 2a6i h GLU 185 N -0.49 0.66 -0.67 3.56 4.81 -1.90 -0.96 114.58 119.58 2a6i h GLU 185 Ca -0.02 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2a6i h GLU 185 Cb 0.43 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 2a6i h GLU 185 CO -0.00 0.43 0.37 -0.92 -0.73 0.00 0.00 179.01 178.16 2a6i h TYR 186 N 0.67 0.69 0.00 0.92 3.20 -1.02 -0.80 116.97 120.63 2a6i h TYR 186 Ca 0.25 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.15 2a6i h TYR 186 Cb 0.09 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.14 2a6i h TYR 186 CO -0.07 0.33 0.00 0.39 -1.64 0.00 0.00 178.16 177.18 2a6i n GLU 187 N -4.78 0.72 0.00 1.82 1.02 0.35 -2.59 120.64 117.17 2a6i n GLU 187 Ca 0.08 0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.36 2a6i n GLU 187 Cb 0.17 -1.50 0.33 0.00 -0.02 0.00 0.00 31.44 30.42 2a6i n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2a6i n ARG 188 N -1.11 1.05 -4.40 3.49 1.74 -0.31 -4.94 116.66 112.20 2a6i n ARG 188 Ca 0.19 -0.68 -0.20 0.00 -0.77 0.00 0.00 57.85 56.39 2a6i n ARG 188 Cb 0.14 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 29.99 2a6i n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2a6i s HIS 189 N -2.41 1.80 -0.01 -1.55 3.76 -1.07 -5.10 115.29 110.70 2a6i s HIS 189 Ca 0.25 -0.91 -0.02 0.00 -0.15 0.00 0.00 55.06 54.23 2a6i s HIS 189 Cb 0.19 -1.10 -0.01 0.00 1.11 0.00 0.00 32.58 32.78 2a6i s HIS 189 CO 0.50 0.02 -0.05 -1.71 -0.85 0.00 0.00 174.74 172.65 2a6i n ASN 190 N -0.56 0.38 -4.73 1.40 5.15 -1.26 -4.74 115.26 110.89 2a6i n ASN 190 Ca -0.04 0.06 -0.39 0.00 -0.60 0.00 0.00 54.58 53.61 2a6i n ASN 190 Cb 0.65 -0.35 -0.05 0.00 -0.53 0.00 0.00 39.78 39.50 2a6i n ASN 190 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2a6i s SER 191 N -4.79 6.90 -0.14 1.20 1.04 -1.26 -1.05 113.70 115.60 2a6i s SER 191 Ca -0.04 1.08 0.02 0.00 0.48 0.00 0.00 55.95 57.49 2a6i s SER 191 Cb 0.01 -2.36 0.01 0.00 0.10 0.00 0.00 66.02 63.77 2a6i s SER 191 CO 0.06 -0.02 -0.21 -0.31 0.98 0.00 0.00 173.24 173.74 2a6i s TYR 192 N 0.47 2.69 0.07 5.02 1.51 -0.47 0.25 117.35 126.89 2a6i s TYR 192 Ca 0.33 -1.29 0.10 0.00 -1.01 0.00 0.00 57.07 55.19 2a6i s TYR 192 Cb -0.17 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 2a6i s TYR 192 CO 0.16 -0.59 -0.26 0.99 -1.11 0.00 0.00 175.55 174.74 2a6i s THR 193 N 0.80 2.15 -0.16 -0.71 2.01 -0.31 -2.18 115.64 117.24 2a6i s THR 193 Ca -0.07 -1.51 -0.01 0.00 0.31 0.00 0.00 61.69 60.42 2a6i s THR 193 Cb -0.16 -1.86 0.04 0.00 0.01 0.00 0.00 72.50 70.53 2a6i s THR 193 CO -0.01 0.26 -0.05 0.00 -0.69 0.00 0.00 174.62 174.13 2a6i s GLU 195 N 1.65 3.20 -0.18 0.00 2.02 0.29 -1.39 118.70 124.29 2a6i s GLU 195 Ca 0.01 -0.78 -0.01 0.00 0.02 0.00 0.00 54.97 54.22 2a6i s GLU 195 Cb -0.15 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.61 2a6i s GLU 195 CO -0.08 0.21 -0.13 0.00 0.02 0.00 0.00 175.26 175.29 2a6i s ALA 196 N 0.30 2.56 -0.21 5.21 0.00 -0.17 -0.42 121.76 129.03 2a6i s ALA 196 Ca -0.14 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 2a6i s ALA 196 Cb -0.17 -1.35 -0.00 0.00 0.00 0.00 0.00 23.12 21.59 2a6i s ALA 196 CO 0.07 -0.22 -0.07 0.99 0.00 0.00 0.00 175.76 176.54 2a6i s THR 197 N 1.11 3.18 0.03 0.00 2.01 -0.10 -1.08 115.64 120.78 2a6i s THR 197 Ca 0.00 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.48 2a6i s THR 197 Cb -0.14 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 2a6i s THR 197 CO -0.04 0.45 -0.12 -2.28 -0.69 0.00 0.00 174.62 171.94 2a6i s HIS 198 N 1.39 1.04 -0.04 4.92 2.46 -1.26 -2.23 115.29 121.56 2a6i s HIS 198 Ca 0.05 -0.32 0.20 0.00 0.47 0.00 0.00 55.06 55.45 2a6i s HIS 198 Cb -0.14 -0.62 1.07 0.00 -0.13 0.00 0.00 32.58 32.76 2a6i s HIS 198 CO -0.04 0.01 1.56 1.57 -2.47 0.00 0.00 174.74 175.37 2a6i h LYS 199 N 5.11 0.00 0.00 2.88 2.10 -1.97 -0.38 116.57 124.31 2a6i h LYS 199 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 2a6i h LYS 199 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2a6i h LYS 199 CO 0.45 0.00 0.27 0.00 -2.00 0.00 0.00 179.45 178.17 2a6i h THR 200 N 0.00 0.00 -1.95 0.07 1.03 -1.94 -3.42 112.91 106.70 2a6i h THR 200 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 66.41 66.52 2a6i h THR 200 Cb 0.26 0.55 -0.18 0.00 -1.07 0.00 0.00 68.15 67.71 2a6i h THR 200 CO 0.00 0.00 0.55 -0.94 -0.01 0.00 0.00 175.52 175.12 2a6i s SER 201 N -4.12 -0.34 -0.09 0.00 1.04 -0.15 -4.96 113.70 105.08 2a6i s SER 201 Ca -0.03 0.13 -0.26 0.00 0.48 0.00 0.00 55.95 56.27 2a6i s SER 201 Cb 0.07 0.33 -0.22 0.00 0.10 0.00 0.00 66.02 66.30 2a6i s SER 201 CO 0.23 -0.48 0.95 0.71 0.98 0.00 0.00 173.24 175.62 2a6i h THR 202 N 2.19 1.52 -3.57 2.02 1.35 -1.82 -3.40 112.91 111.19 2a6i h THR 202 Ca -0.19 -1.75 -0.52 0.00 -0.55 0.00 0.00 66.41 63.40 2a6i h THR 202 Cb 1.21 2.67 0.03 0.00 -1.73 0.00 0.00 68.15 70.33 2a6i h THR 202 CO 0.30 0.44 0.58 -0.44 -0.25 0.00 0.00 175.52 176.15 2a6i s SER 203 N -5.93 7.02 0.78 5.36 0.01 -1.26 -4.94 113.70 114.74 2a6i s SER 203 Ca -0.17 2.35 -0.11 0.00 1.31 0.00 0.00 55.95 59.34 2a6i s SER 203 Cb -0.01 -2.62 0.06 0.00 0.21 0.00 0.00 66.02 63.67 2a6i s SER 203 CO 0.65 -0.40 1.09 -2.84 0.41 0.00 0.00 173.24 172.16 2a6i s PRO 204 N -0.66 2.17 -0.29 12.44 0.02 -1.26 -4.87 135.00 142.55 2a6i s PRO 204 Ca 0.52 1.15 -0.15 0.00 0.02 0.00 0.00 61.00 62.54 2a6i s PRO 204 Cb -0.35 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.25 2a6i s PRO 204 CO 0.40 -1.70 0.36 0.42 -0.33 0.00 0.00 177.00 176.16 2a6i s ILE 205 N -2.90 5.18 -0.10 2.83 1.01 -0.24 -4.90 121.20 122.06 2a6i s ILE 205 Ca 0.61 0.43 0.01 0.00 0.00 0.00 0.00 60.65 61.70 2a6i s ILE 205 Cb -0.17 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 2a6i s ILE 205 CO 0.56 0.10 -0.12 -0.69 0.00 0.00 0.00 174.94 174.78 2a6i s VAL 206 N 2.05 3.15 -0.02 2.92 1.01 -1.26 -0.99 120.40 127.26 2a6i s VAL 206 Ca 0.14 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2a6i s VAL 206 Cb -0.16 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.93 2a6i s VAL 206 CO 0.11 0.55 -0.08 -0.54 0.00 0.00 0.00 175.10 175.14 2a6i s LYS 207 N -0.09 0.73 0.21 2.72 -0.14 -0.49 -5.02 119.74 117.66 2a6i s LYS 207 Ca -0.02 -0.26 -0.22 0.00 -1.36 0.00 0.00 55.97 54.11 2a6i s LYS 207 Cb -0.14 -0.70 0.07 0.00 -1.68 0.00 0.00 37.83 35.38 2a6i s LYS 207 CO 0.04 0.12 0.96 -1.54 -0.76 0.00 0.00 175.35 174.17 2a6i s SER 208 N 0.05 -0.07 0.20 2.83 1.04 -1.26 -0.44 113.70 116.04 2a6i s SER 208 Ca -0.00 -0.65 -0.13 0.00 0.48 0.00 0.00 55.95 55.64 2a6i s SER 208 Cb -0.06 0.56 0.01 0.00 0.10 0.00 0.00 66.02 66.63 2a6i s SER 208 CO -0.00 -1.08 0.43 0.72 0.98 0.00 0.00 173.24 174.28 2a6i s PHE 209 N -2.67 0.17 -0.07 5.02 -0.12 -0.93 -5.00 117.98 114.38 2a6i s PHE 209 Ca 0.17 -0.53 0.04 0.00 -0.05 0.00 0.00 56.93 56.56 2a6i s PHE 209 Cb -0.03 0.19 0.00 0.00 -0.63 0.00 0.00 43.02 42.55 2a6i s PHE 209 CO 0.05 -0.86 -0.20 -0.80 -0.05 0.00 0.00 175.22 173.36 2a6i s ASN 210 N -2.94 2.58 0.43 1.98 0.01 -1.26 -1.37 114.94 114.37 2a6i s ASN 210 Ca 0.15 -0.45 0.11 0.00 -0.71 0.00 0.00 52.86 51.96 2a6i s ASN 210 Cb 0.01 -1.03 0.98 0.00 0.41 0.00 0.00 41.25 41.61 2a6i s ASN 210 CO 0.01 0.14 2.04 0.03 -1.51 0.00 0.00 177.10 177.81 2a6i h ARG 211 N 6.60 0.42 0.00 -0.60 3.08 -1.38 -2.22 114.38 120.28 2a6i h ARG 211 Ca -0.26 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.66 2a6i h ARG 211 Cb 1.21 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 2a6i h ARG 211 CO 0.47 0.28 -0.48 -2.95 -1.07 0.00 0.00 179.97 176.22 2a6i h ASN 212 N 0.43 0.00 -0.02 7.04 7.08 -1.92 -2.50 115.58 125.68 2a6i h ASN 212 Ca 0.18 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.40 2a6i h ASN 212 Cb 0.17 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.41 2a6i h ASN 212 CO -0.04 0.48 0.00 -0.62 -2.08 0.00 0.00 177.43 175.16 2a6i n GLU 213 N -3.88 1.06 0.00 4.14 1.02 -0.84 -5.26 120.64 116.89 2a6i n GLU 213 Ca -0.01 -0.10 0.12 0.00 -0.02 0.00 0.00 57.16 57.15 2a6i n GLU 213 Cb 0.51 -1.13 0.10 0.00 -0.02 0.00 0.00 31.44 30.90 2a6i n GLU 213 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31