#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a5g n ASP 2 N 0.00 4.21 -4.44 0.00 5.75 -1.25 -4.53 116.55 116.29 2a5g n ASP 2 Ca 0.00 -3.61 -0.26 0.00 -0.01 0.00 0.00 54.79 50.91 2a5g n ASP 2 Cb 0.00 -0.52 0.14 0.00 -1.03 0.00 0.00 41.12 39.71 2a5g n ASP 2 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 2a5g s ASP 3 N -3.43 3.80 0.05 -1.12 -4.77 -1.26 -5.05 116.67 104.89 2a5g s ASP 3 Ca 0.47 -0.15 -0.01 0.00 -3.30 0.00 0.00 52.55 49.56 2a5g s ASP 3 Cb 0.35 -0.07 -0.04 0.00 -1.09 0.00 0.00 42.92 42.07 2a5g s ASP 3 CO -0.15 -2.25 -0.03 -0.54 0.70 0.00 0.00 175.17 172.91 2a5g s LYS 4 N -5.45 0.60 0.21 2.11 1.02 -1.26 -3.92 119.74 113.04 2a5g s LYS 4 Ca 0.70 -1.20 0.10 0.00 0.02 0.00 0.00 55.97 55.59 2a5g s LYS 4 Cb -0.04 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 2a5g s LYS 4 CO 0.48 -0.11 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.16 2a5g s LEU 5 N -2.86 2.82 -0.04 3.17 1.43 0.22 -4.84 118.68 118.58 2a5g s LEU 5 Ca 0.06 -0.71 0.05 0.00 -1.03 0.00 0.00 54.13 52.50 2a5g s LEU 5 Cb 0.07 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 2a5g s LEU 5 CO -0.10 0.09 -0.20 -0.31 0.23 0.00 0.00 176.35 176.06 2a5g s TYR 6 N -1.86 1.89 -0.08 0.29 1.51 0.92 0.87 117.35 120.88 2a5g s TYR 6 Ca 0.25 -0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 55.82 2a5g s TYR 6 Cb -0.08 -1.24 0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2a5g s TYR 6 CO 0.14 -0.13 -0.04 0.50 -1.11 0.00 0.00 175.55 174.92 2a5g s ARG 7 N -0.17 0.98 0.18 -0.62 3.52 -0.19 0.23 118.95 122.89 2a5g s ARG 7 Ca 0.00 -0.06 -0.30 0.00 -0.13 0.00 0.00 55.73 55.24 2a5g s ARG 7 Cb -0.11 -1.17 -0.08 0.00 -1.56 0.00 0.00 34.95 32.04 2a5g s ARG 7 CO 0.01 -0.24 1.10 0.00 -0.81 0.00 0.00 175.30 175.36 2a5g s ALA 8 N 1.67 3.37 -0.25 6.12 0.00 -1.26 0.38 121.76 131.80 2a5g s ALA 8 Ca 0.02 0.82 -0.23 0.00 0.00 0.00 0.00 51.96 52.57 2a5g s ALA 8 Cb -0.13 -3.35 0.07 0.00 0.00 0.00 0.00 23.12 19.71 2a5g s ALA 8 CO -0.05 -0.21 0.67 0.34 0.00 0.00 0.00 175.76 176.52 2a5g s ASP 9 N -0.16 -0.71 0.00 0.00 -1.08 0.13 -4.96 116.67 109.89 2a5g s ASP 9 Ca 0.49 1.36 0.28 0.00 -0.52 0.00 0.00 52.55 54.16 2a5g s ASP 9 Cb -0.30 1.37 1.14 0.00 -1.46 0.00 0.00 42.92 43.67 2a5g s ASP 9 CO 0.35 -0.23 1.81 -1.54 0.52 0.00 0.00 175.17 176.08 2a5g n SER 10 N 2.77 0.42 -4.70 -0.34 3.41 -1.26 0.01 113.62 113.93 2a5g n SER 10 Ca -0.14 -0.40 -0.41 0.00 -0.26 0.00 0.00 58.87 57.67 2a5g n SER 10 Cb 0.55 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 2a5g n SER 10 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2a5g s ARG 11 N -2.61 4.39 0.67 4.33 0.52 -1.26 -4.83 118.95 120.17 2a5g s ARG 11 Ca 0.25 0.98 -0.12 0.00 -0.52 0.00 0.00 55.73 56.31 2a5g s ARG 11 Cb 0.20 -3.50 -0.00 0.00 0.52 0.00 0.00 34.95 32.16 2a5g s ARG 11 CO 0.51 -0.11 1.07 -1.25 0.02 0.00 0.00 175.30 175.54 2a5g s PRO 12 N 1.36 2.96 0.46 3.54 0.04 -1.26 -4.73 135.00 137.37 2a5g s PRO 12 Ca 0.39 1.08 0.17 0.00 0.04 0.00 0.00 61.00 62.68 2a5g s PRO 12 Cb -0.18 -1.99 1.12 0.00 0.04 0.00 0.00 34.50 33.49 2a5g s PRO 12 CO 0.17 -1.08 1.98 -1.35 0.04 0.00 0.00 177.00 176.75 2a5g h PRO 13 N -0.37 0.30 -0.34 0.56 0.11 -1.98 -0.50 132.00 129.78 2a5g h PRO 13 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 2a5g h PRO 13 Cb 1.22 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2a5g h PRO 13 CO 0.56 0.20 -0.07 -0.44 -0.21 0.00 0.00 178.00 178.04 2a5g h ASP 14 N 0.31 0.53 -0.18 -2.05 5.19 -1.99 0.24 116.42 118.48 2a5g h ASP 14 Ca 0.28 -0.12 -0.22 0.00 -0.62 0.00 0.00 57.03 56.35 2a5g h ASP 14 Cb 0.67 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 40.04 2a5g h ASP 14 CO -0.07 0.65 -0.73 -0.08 -3.12 0.00 0.00 179.24 175.89 2a5g h GLU 15 N 0.52 0.81 -0.34 3.56 4.81 -1.48 -2.62 114.58 119.84 2a5g h GLU 15 Ca 0.10 -0.63 -0.10 0.00 -0.13 0.00 0.00 59.36 58.60 2a5g h GLU 15 Cb 0.44 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2a5g h GLU 15 CO 0.02 1.24 -0.22 0.82 -0.73 0.00 0.00 179.01 180.15 2a5g h ILE 16 N 0.57 1.27 -0.47 2.32 1.08 -1.00 -0.92 117.51 120.36 2a5g h ILE 16 Ca -0.04 -1.29 -0.07 0.00 -0.39 0.00 0.00 64.86 63.08 2a5g h ILE 16 Cb 1.36 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 36.33 2a5g h ILE 16 CO 0.15 0.42 0.03 0.50 -0.69 0.00 0.00 178.15 178.57 2a5g h LYS 17 N 0.58 0.81 0.00 2.37 1.63 -0.55 0.31 116.57 121.72 2a5g h LYS 17 Ca 0.09 -0.24 -0.07 0.00 -0.85 0.00 0.00 60.65 59.58 2a5g h LYS 17 Cb 0.69 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.23 2a5g h LYS 17 CO 0.05 0.85 -0.31 1.96 -3.45 0.00 0.00 179.45 178.55 2a5g h GLN 18 N 0.67 0.00 0.00 1.90 7.50 -1.27 -2.69 115.11 121.22 2a5g h GLN 18 Ca 0.14 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 59.24 2a5g h GLN 18 Cb 0.46 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.98 2a5g h GLN 18 CO 0.02 0.31 -0.25 0.77 -1.50 0.00 0.00 178.83 178.18 2a5g h SER 19 N 0.00 0.00 0.00 1.46 0.02 -0.94 -3.47 113.55 110.62 2a5g h SER 19 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2a5g h SER 19 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2a5g h SER 19 CO 0.04 0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.59 2a5g n GLY 20 N 0.80 0.77 0.00 -3.77 0.00 -0.90 -4.93 105.19 97.16 2a5g n GLY 20 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2a5g n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a5g n GLY 21 N -2.11 0.90 3.54 -0.02 0.00 0.05 -1.30 105.19 106.24 2a5g n GLY 21 Ca 0.00 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 2a5g n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a5g s LEU 22 N 0.00 3.48 0.41 0.99 1.43 0.51 -4.80 118.68 120.70 2a5g s LEU 22 Ca 0.00 -1.03 -0.02 0.00 -1.03 0.00 0.00 54.13 52.05 2a5g s LEU 22 Cb 0.00 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.64 2a5g s LEU 22 CO 0.00 -1.62 0.66 -0.04 0.23 0.00 0.00 176.35 175.57 2a5g s MET 23 N 5.13 3.50 0.66 1.70 -1.94 -1.26 -0.09 119.30 127.00 2a5g s MET 23 Ca 0.39 -0.10 -0.11 0.00 -1.71 0.00 0.00 55.69 54.16 2a5g s MET 23 Cb -0.05 -2.53 -0.02 0.00 2.01 0.00 0.00 34.83 34.25 2a5g s MET 23 CO 0.02 -0.02 1.06 -1.25 -0.01 0.00 0.00 175.02 174.81 2a5g s PRO 24 N -4.51 3.26 0.36 2.03 0.05 -1.26 -4.94 135.00 129.98 2a5g s PRO 24 Ca 0.43 0.61 0.05 0.00 0.05 0.00 0.00 61.00 62.14 2a5g s PRO 24 Cb -0.10 -2.06 0.68 0.00 0.05 0.00 0.00 34.50 33.07 2a5g s PRO 24 CO 0.40 -0.78 1.93 -0.09 0.05 0.00 0.00 177.00 178.51 2a5g h ARG 25 N -0.46 0.52 0.00 4.56 1.12 -1.76 -2.68 114.38 115.68 2a5g h ARG 25 Ca -0.44 -0.09 0.00 0.00 -1.11 0.00 0.00 59.98 58.34 2a5g h ARG 25 Cb 1.22 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 31.09 2a5g h ARG 25 CO 0.63 0.50 0.00 0.78 -3.11 0.00 0.00 179.97 178.76 2a5g h GLY 26 N 0.76 0.00 0.61 2.80 0.00 0.11 -3.12 103.07 104.23 2a5g h GLY 26 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 2a5g h GLY 26 CO -0.00 0.00 -0.07 -1.61 0.00 0.00 0.00 176.54 174.85 2a5g h GLN 27 N 0.00 0.16 0.00 4.80 4.15 -1.68 0.75 115.11 123.29 2a5g h GLN 27 Ca 0.00 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.27 2a5g h GLN 27 Cb 0.46 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 2a5g h GLN 27 CO 0.00 0.62 -0.28 0.66 -1.93 0.00 0.00 178.83 177.91 2a5g h SER 28 N -0.29 0.00 0.04 -0.69 4.64 -1.71 -2.28 113.55 113.26 2a5g h SER 28 Ca 0.01 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.17 2a5g h SER 28 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 2a5g h SER 28 CO 0.02 0.28 -0.55 -0.08 -0.87 0.00 0.00 176.83 175.62 2a5g h GLU 29 N 0.00 0.55 -0.31 4.77 4.57 -1.46 -2.72 114.58 119.98 2a5g h GLU 29 Ca -0.00 -0.34 -0.07 0.00 -1.18 0.00 0.00 59.36 57.77 2a5g h GLU 29 Cb 0.70 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 2a5g h GLU 29 CO 0.04 0.95 -0.07 -0.92 -1.18 0.00 0.00 179.01 177.83 2a5g h TYR 30 N 0.42 0.66 0.00 0.92 3.20 -0.30 0.46 116.97 122.33 2a5g h TYR 30 Ca 0.01 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.74 2a5g h TYR 30 Cb 1.09 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.20 2a5g h TYR 30 CO 0.04 0.77 0.00 0.74 -1.64 0.00 0.00 178.16 178.08 2a5g h PHE 31 N 0.36 0.00 0.01 -3.82 -1.00 -1.50 -0.82 116.94 110.17 2a5g h PHE 31 Ca 0.08 0.00 -0.39 0.00 2.81 0.00 0.00 57.97 60.47 2a5g h PHE 31 Cb 0.55 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.06 2a5g h PHE 31 CO 0.05 0.00 -2.17 -0.25 -1.61 0.00 0.00 178.31 174.33 2a5g n ASP 32 N -2.84 1.94 -0.01 2.17 9.92 -1.03 -4.72 116.55 121.99 2a5g n ASP 32 Ca 0.03 0.31 0.07 0.00 -0.53 0.00 0.00 54.79 54.67 2a5g n ASP 32 Cb 0.42 -0.82 -0.10 0.00 -0.64 0.00 0.00 41.12 39.97 2a5g n ASP 32 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2a5g n ARG 33 N -4.17 0.84 -0.57 -1.24 3.00 0.14 -4.99 116.66 109.67 2a5g n ARG 33 Ca -0.47 -0.10 0.00 0.00 -0.01 0.00 0.00 57.85 57.27 2a5g n ARG 33 Cb 0.85 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 32.02 2a5g n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2a5g n GLY 34 N 1.63 0.74 3.66 -0.13 0.00 -0.31 -5.01 105.19 105.77 2a5g n GLY 34 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2a5g n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2a5g s THR 35 N -2.40 3.86 0.26 2.61 2.01 -1.23 -4.91 115.64 115.83 2a5g s THR 35 Ca 0.00 1.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.74 2a5g s THR 35 Cb 0.00 -3.69 -0.10 0.00 0.01 0.00 0.00 72.50 68.72 2a5g s THR 35 CO 0.00 -0.11 1.40 -1.10 -0.69 0.00 0.00 174.62 174.12 2a5g s GLN 36 N 3.87 4.29 0.65 4.92 -1.52 -1.26 -3.72 119.66 126.90 2a5g s GLN 36 Ca 0.66 2.26 -0.17 0.00 -1.95 0.00 0.00 55.36 56.16 2a5g s GLN 36 Cb -0.28 -3.11 -0.00 0.00 -0.22 0.00 0.00 33.01 29.39 2a5g s GLN 36 CO 0.24 -0.37 1.19 -1.64 -0.25 0.00 0.00 175.29 174.46 2a5g s MET 37 N -0.58 2.65 -0.47 2.91 -1.94 -1.26 -4.97 119.30 115.64 2a5g s MET 37 Ca 0.57 1.73 -0.17 0.00 -1.71 0.00 0.00 55.69 56.12 2a5g s MET 37 Cb -0.41 -1.90 0.06 0.00 2.01 0.00 0.00 34.83 34.59 2a5g s MET 37 CO 0.44 -1.43 0.45 1.21 -0.01 0.00 0.00 175.02 175.69 2a5g s ASN 38 N -1.91 6.17 -0.14 3.03 3.84 0.13 -4.89 114.94 121.16 2a5g s ASN 38 Ca 0.75 -1.13 0.13 0.00 0.21 0.00 0.00 52.86 52.81 2a5g s ASN 38 Cb -0.28 -2.21 0.62 0.00 -0.55 0.00 0.00 41.25 38.82 2a5g s ASN 38 CO 0.39 -0.69 1.47 2.30 -2.79 0.00 0.00 177.10 177.78 2a5g n ILE 39 N 5.33 1.83 -2.51 -5.21 -5.35 -1.26 -2.56 119.36 109.63 2a5g n ILE 39 Ca -0.10 -1.02 -0.43 0.00 -0.27 0.00 0.00 62.75 60.92 2a5g n ILE 39 Cb 0.45 -0.15 -0.02 0.00 -1.74 0.00 0.00 39.64 38.18 2a5g n ILE 39 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2a5g s ASN 40 N -0.71 6.57 0.48 7.28 0.01 -1.26 -4.78 114.94 122.53 2a5g s ASN 40 Ca 0.42 0.67 0.13 0.00 -0.71 0.00 0.00 52.86 53.38 2a5g s ASN 40 Cb 0.30 -2.55 1.11 0.00 0.41 0.00 0.00 41.25 40.52 2a5g s ASN 40 CO 0.16 -1.27 2.10 0.25 -1.51 0.00 0.00 177.10 176.83 2a5g h LEU 41 N 11.42 0.13 -0.52 0.60 5.85 -0.27 -1.59 115.31 130.94 2a5g h LEU 41 Ca -0.24 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.34 2a5g h LEU 41 Cb 1.08 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2a5g h LEU 41 CO 1.10 0.13 -0.18 0.22 -0.34 0.00 0.00 178.44 179.37 2a5g h TYR 42 N 0.15 1.16 -0.28 1.25 3.20 -0.10 -1.03 116.97 121.32 2a5g h TYR 42 Ca 0.04 -0.27 -0.08 0.00 3.14 0.00 0.00 58.73 61.57 2a5g h TYR 42 Cb 0.04 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 2a5g h TYR 42 CO 0.00 1.10 -0.15 -0.44 -1.64 0.00 0.00 178.16 177.03 2a5g h ASP 43 N 0.89 0.48 -0.33 -2.11 3.32 -1.54 -1.52 116.42 115.60 2a5g h ASP 43 Ca 0.12 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 2a5g h ASP 43 Cb 0.76 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2a5g h ASP 43 CO 0.06 0.65 -0.06 -0.74 -1.72 0.00 0.00 179.24 177.43 2a5g h HIS 44 N 0.45 0.70 -0.07 4.55 -0.00 -1.08 -2.00 115.15 117.71 2a5g h HIS 44 Ca 0.08 -0.14 -0.14 0.00 -0.00 0.00 0.00 60.37 60.17 2a5g h HIS 44 Cb 0.52 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 2a5g h HIS 44 CO 0.02 0.79 -0.58 0.00 -0.00 0.00 0.00 177.93 178.16 2a5g h ALA 45 N 0.82 0.90 0.23 5.26 0.00 -1.03 -3.30 119.26 122.14 2a5g h ALA 45 Ca 0.09 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2a5g h ALA 45 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2a5g h ALA 45 CO 0.03 0.71 -0.11 0.00 0.00 0.00 0.00 179.25 179.88 2a5g h ARG 46 N 0.16 -0.30 0.00 0.00 3.08 -1.28 -3.43 114.38 112.62 2a5g h ARG 46 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2a5g h ARG 46 Cb 1.06 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2a5g h ARG 46 CO 0.09 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.44 2a5g n GLY 47 N 0.55 2.06 0.00 0.04 0.00 -0.75 -4.86 105.19 102.22 2a5g n GLY 47 Ca -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2a5g n GLY 47 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a5g n THR 48 N 0.00 0.00 -2.18 2.61 -2.24 -1.26 -4.77 114.28 106.44 2a5g n THR 48 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2a5g n THR 48 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 2a5g n THR 48 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2a5g s GLN 49 N -0.17 3.21 0.03 -0.78 -0.21 -1.26 -4.66 119.66 115.82 2a5g s GLN 49 Ca 0.00 0.89 0.00 0.00 0.02 0.00 0.00 55.36 56.27 2a5g s GLN 49 Cb 0.00 -4.19 0.00 0.00 1.00 0.00 0.00 33.01 29.82 2a5g s GLN 49 CO 0.00 -2.03 0.00 1.19 -2.12 0.00 0.00 175.29 172.33 2a5g n PHE 52 N 10.40 -0.82 -2.41 0.91 0.99 -1.26 -5.25 117.46 120.02 2a5g n PHE 52 Ca 0.18 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.31 2a5g n PHE 52 Cb 0.49 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.93 2a5g n PHE 52 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2a5g s VAL 53 N -0.93 4.43 0.55 -4.37 0.11 -1.26 -4.75 120.40 114.17 2a5g s VAL 53 Ca 0.00 1.21 -0.19 0.00 -2.93 0.00 0.00 61.98 60.07 2a5g s VAL 53 Cb 0.00 -3.67 -0.05 0.00 -1.53 0.00 0.00 36.38 31.13 2a5g s VAL 53 CO 0.00 -0.62 1.11 -0.13 -3.33 0.00 0.00 175.10 172.13 2a5g s ARG 54 N -3.95 3.36 0.42 1.54 0.52 -1.26 -4.94 118.95 114.64 2a5g s ARG 54 Ca 0.60 1.52 0.23 0.00 -0.52 0.00 0.00 55.73 57.56 2a5g s ARG 54 Cb -0.11 -2.01 0.59 0.00 0.52 0.00 0.00 34.95 33.94 2a5g s ARG 54 CO 0.29 -0.83 1.69 0.45 0.02 0.00 0.00 175.30 176.92 2a5g h HIS 55 N 1.06 0.00 -0.60 -0.53 3.86 -1.96 -2.87 115.15 114.12 2a5g h HIS 55 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 2a5g h HIS 55 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 2a5g h HIS 55 CO 0.53 0.18 0.00 -0.40 0.86 0.00 0.00 177.93 179.10 2a5g n ASP 56 N -3.20 3.64 -4.72 2.45 3.85 -1.26 -3.06 116.55 114.24 2a5g n ASP 56 Ca 0.02 -1.99 -0.43 0.00 -0.71 0.00 0.00 54.79 51.68 2a5g n ASP 56 Cb 0.52 -0.40 -0.02 0.00 -1.35 0.00 0.00 41.12 39.87 2a5g n ASP 56 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 2a5g n ASP 57 N 1.36 3.46 -0.81 -1.12 4.64 -1.08 0.19 116.55 123.19 2a5g n ASP 57 Ca 0.21 1.16 0.07 0.00 -1.38 0.00 0.00 54.79 54.84 2a5g n ASP 57 Cb 0.57 -1.54 0.21 0.00 -1.04 0.00 0.00 41.12 39.32 2a5g n ASP 57 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2a5g n GLY 58 N 1.95 3.29 3.53 0.27 0.00 -1.06 0.13 105.19 113.30 2a5g n GLY 58 Ca 0.09 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 2a5g n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2a5g s TYR 59 N -1.82 2.48 -0.20 1.61 1.51 -1.26 -0.41 117.35 119.26 2a5g s TYR 59 Ca 0.33 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 56.11 2a5g s TYR 59 Cb 0.23 -1.14 0.05 0.00 -0.11 0.00 0.00 41.96 40.99 2a5g s TYR 59 CO 0.13 0.61 -0.08 0.08 -1.11 0.00 0.00 175.55 175.19 2a5g s VAL 60 N -2.14 1.48 0.41 0.71 1.01 -0.18 -4.53 120.40 117.16 2a5g s VAL 60 Ca 0.28 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 2a5g s VAL 60 Cb -0.07 -1.64 -0.08 0.00 0.00 0.00 0.00 36.38 34.59 2a5g s VAL 60 CO 0.15 0.08 1.10 -0.44 0.00 0.00 0.00 175.10 176.00 2a5g s SER 61 N 1.45 6.58 0.19 3.32 0.01 -1.26 -0.40 113.70 123.60 2a5g s SER 61 Ca -0.02 2.17 -0.00 0.00 1.31 0.00 0.00 55.95 59.41 2a5g s SER 61 Cb -0.17 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.42 2a5g s SER 61 CO -0.08 -0.62 0.09 0.42 0.41 0.00 0.00 173.24 173.47 2a5g s THR 62 N -1.56 0.21 0.25 1.44 -4.23 -0.07 -4.81 115.64 106.85 2a5g s THR 62 Ca 0.59 -1.98 0.11 0.00 -1.18 0.00 0.00 61.69 59.23 2a5g s THR 62 Cb -0.26 -2.39 -0.05 0.00 1.34 0.00 0.00 72.50 71.15 2a5g s THR 62 CO 0.32 -0.15 -0.15 -0.44 -0.54 0.00 0.00 174.62 173.66 2a5g s SER 63 N -3.17 3.87 0.16 3.99 0.01 0.63 -1.74 113.70 117.45 2a5g s SER 63 Ca 0.34 -0.85 0.14 0.00 1.31 0.00 0.00 55.95 56.89 2a5g s SER 63 Cb 0.07 -0.47 -0.06 0.00 0.21 0.00 0.00 66.02 65.76 2a5g s SER 63 CO 0.09 0.06 1.17 0.16 0.41 0.00 0.00 173.24 175.13 2a5g h ILE 64 N 2.43 0.88 -2.53 1.44 3.07 -1.82 0.26 117.51 121.25 2a5g h ILE 64 Ca -0.43 -2.37 -0.51 0.00 1.55 0.00 0.00 64.86 63.09 2a5g h ILE 64 Cb 1.24 2.37 -0.14 0.00 -0.27 0.00 0.00 36.82 40.02 2a5g h ILE 64 CO 0.57 0.50 -0.60 -0.94 -1.05 0.00 0.00 178.15 176.63 2a5g s SER 65 N -6.26 2.75 0.10 2.16 1.04 -1.26 -4.71 113.70 107.52 2a5g s SER 65 Ca 0.01 -1.39 -0.08 0.00 0.48 0.00 0.00 55.95 54.97 2a5g s SER 65 Cb 0.08 -0.12 -0.18 0.00 0.10 0.00 0.00 66.02 65.91 2a5g s SER 65 CO 0.78 -0.59 1.23 0.25 0.98 0.00 0.00 173.24 175.89 2a5g h LEU 66 N 2.01 0.63 -1.04 2.42 5.85 -1.96 -2.47 115.31 120.76 2a5g h LEU 66 Ca -0.41 -0.54 -0.05 0.00 0.84 0.00 0.00 57.88 57.72 2a5g h LEU 66 Cb 1.25 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 2a5g h LEU 66 CO 0.72 1.36 0.16 0.03 -0.34 0.00 0.00 178.44 180.36 2a5g h ARG 67 N 0.24 0.85 -0.14 1.25 -0.00 -1.98 -0.27 114.38 114.32 2a5g h ARG 67 Ca -0.11 -0.16 -0.15 0.00 -0.50 0.00 0.00 59.98 59.05 2a5g h ARG 67 Cb 1.72 -0.13 0.01 0.00 0.00 0.00 0.00 29.97 31.56 2a5g h ARG 67 CO 0.19 0.75 -0.51 0.77 0.00 0.00 0.00 179.97 181.17 2a5g h SER 68 N 0.82 0.69 -0.75 7.04 0.02 -1.97 -0.86 113.55 118.55 2a5g h SER 68 Ca 0.18 -0.61 -0.06 0.00 -0.84 0.00 0.00 61.79 60.47 2a5g h SER 68 Cb 0.27 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2a5g h SER 68 CO -0.01 1.19 0.25 0.00 -1.14 0.00 0.00 176.83 177.12 2a5g h ALA 69 N 0.53 0.98 -0.72 3.77 0.00 -1.34 -0.63 119.26 121.85 2a5g h ALA 69 Ca -0.02 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2a5g h ALA 69 Cb 1.14 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2a5g h ALA 69 CO 0.11 0.65 0.48 1.25 0.00 0.00 0.00 179.25 181.73 2a5g h HIS 70 N 1.10 0.90 -0.65 0.00 2.76 -1.01 -1.50 115.15 116.76 2a5g h HIS 70 Ca 0.24 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2a5g h HIS 70 Cb 0.28 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 2a5g h HIS 70 CO 0.02 0.57 0.41 1.25 -1.30 0.00 0.00 177.93 178.89 2a5g h LEU 71 N 0.98 0.76 -0.82 0.26 5.85 -0.44 0.16 115.31 122.05 2a5g h LEU 71 Ca 0.26 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.03 2a5g h LEU 71 Cb -0.11 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.66 2a5g h LEU 71 CO -0.06 0.56 0.48 0.58 -0.34 0.00 0.00 178.44 179.67 2a5g h VAL 72 N 0.88 0.95 -0.64 1.05 2.07 -0.81 -0.13 116.25 119.62 2a5g h VAL 72 Ca 0.23 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 2a5g h VAL 72 Cb -0.07 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.72 2a5g h VAL 72 CO -0.05 0.15 0.10 1.23 0.02 0.00 0.00 177.57 179.02 2a5g h GLY 73 N 0.83 1.13 0.08 2.17 0.00 -0.01 0.23 103.07 107.51 2a5g h GLY 73 Ca 0.38 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2a5g h GLY 73 CO -0.22 0.69 -0.12 0.61 0.00 0.00 0.00 176.54 177.50 2a5g n GLN 74 N -4.22 1.15 0.00 4.80 10.64 0.40 -2.97 117.38 127.19 2a5g n GLN 74 Ca 0.04 -0.62 0.00 0.00 -1.83 0.00 0.00 57.00 54.59 2a5g n GLN 74 Cb 0.29 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.18 2a5g n GLN 74 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2a5g n THR 75 N -0.38 0.00 0.00 -0.39 -2.24 -0.10 -4.52 114.28 106.65 2a5g n THR 75 Ca 0.16 0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 62.08 2a5g n THR 75 Cb 0.33 -1.21 0.07 0.00 -2.10 0.00 0.00 70.33 67.42 2a5g n THR 75 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2a5g h ILE 76 N 0.00 1.32 -0.85 2.28 2.04 -0.76 -2.83 117.51 118.72 2a5g h ILE 76 Ca 0.00 -1.72 -0.41 0.00 1.00 0.00 0.00 64.86 63.73 2a5g h ILE 76 Cb 0.00 1.70 -0.24 0.00 -0.74 0.00 0.00 36.82 37.54 2a5g h ILE 76 CO 0.00 0.54 0.52 0.18 0.00 0.00 0.00 178.15 179.38 2a5g n LEU 77 N -3.98 6.23 -4.73 1.44 4.77 -0.99 -4.96 117.00 114.77 2a5g n LEU 77 Ca -0.03 -3.30 -0.41 0.00 -0.03 0.00 0.00 56.01 52.24 2a5g n LEU 77 Cb 0.57 -0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2a5g n LEU 77 CO 0.46 0.94 0.92 -0.55 -1.33 0.00 0.00 177.39 177.84 2a5g s SER 78 N -1.02 7.02 0.00 -1.43 0.15 -1.07 -2.67 113.70 114.68 2a5g s SER 78 Ca 0.51 2.22 0.00 0.00 0.70 0.00 0.00 55.95 59.38 2a5g s SER 78 Cb 0.42 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 2a5g s SER 78 CO 0.10 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.70 2a5g n GLY 79 N 2.62 2.39 3.67 9.45 0.00 -1.26 -5.05 105.19 117.01 2a5g n GLY 79 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2a5g n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a5g s HIS 80 N -2.37 3.14 0.10 1.61 4.02 -1.09 -4.94 115.29 115.76 2a5g s HIS 80 Ca 0.00 1.25 -0.24 0.00 1.02 0.00 0.00 55.06 57.09 2a5g s HIS 80 Cb 0.00 -3.38 -0.11 0.00 -1.02 0.00 0.00 32.58 28.07 2a5g s HIS 80 CO 0.00 -1.09 1.70 0.77 1.02 0.00 0.00 174.74 177.14 2a5g h SER 81 N 7.70 -0.26 -3.99 1.40 0.02 -1.94 -3.43 113.55 113.05 2a5g h SER 81 Ca -0.26 0.03 -0.58 0.00 -0.84 0.00 0.00 61.79 60.15 2a5g h SER 81 Cb 1.11 0.10 -0.31 0.00 0.14 0.00 0.00 62.40 63.44 2a5g h SER 81 CO 0.94 -0.14 -0.84 -0.89 -1.14 0.00 0.00 176.83 174.76 2a5g s THR 82 N -6.16 1.50 0.19 -2.27 2.01 -1.26 -1.46 115.64 108.19 2a5g s THR 82 Ca -0.14 -0.76 -0.10 0.00 0.31 0.00 0.00 61.69 61.00 2a5g s THR 82 Cb 0.07 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 2a5g s THR 82 CO 0.66 0.43 0.33 -0.72 -0.69 0.00 0.00 174.62 174.63 2a5g s TYR 83 N -0.07 0.44 0.05 4.92 -0.85 -0.88 -4.83 117.35 116.13 2a5g s TYR 83 Ca -0.02 -0.79 0.09 0.00 -0.52 0.00 0.00 57.07 55.84 2a5g s TYR 83 Cb -0.11 -0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.18 2a5g s TYR 83 CO 0.02 -0.79 -0.26 0.71 -1.52 0.00 0.00 175.55 173.71 2a5g s TYR 84 N -4.00 2.26 -0.41 -3.49 1.51 0.10 -0.89 117.35 112.43 2a5g s TYR 84 Ca 0.20 -0.41 -0.10 0.00 -1.01 0.00 0.00 57.07 55.76 2a5g s TYR 84 Cb 0.02 -1.34 0.07 0.00 -0.11 0.00 0.00 41.96 40.60 2a5g s TYR 84 CO 0.03 0.14 0.26 0.42 -1.11 0.00 0.00 175.55 175.29 2a5g s ILE 85 N -0.82 4.38 -0.16 2.71 1.01 -0.93 0.19 121.20 127.57 2a5g s ILE 85 Ca 0.11 -1.25 -0.24 0.00 0.00 0.00 0.00 60.65 59.27 2a5g s ILE 85 Cb -0.10 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.73 2a5g s ILE 85 CO 0.02 -0.45 0.76 -0.31 0.00 0.00 0.00 174.94 174.97 2a5g s TYR 86 N 1.47 3.43 -0.20 3.97 2.02 0.16 -1.46 117.35 126.75 2a5g s TYR 86 Ca 0.03 1.18 -0.22 0.00 -0.37 0.00 0.00 57.07 57.69 2a5g s TYR 86 Cb -0.22 -2.93 -0.02 0.00 -0.40 0.00 0.00 41.96 38.39 2a5g s TYR 86 CO 0.03 -0.17 0.67 0.08 -1.57 0.00 0.00 175.55 174.59 2a5g s VAL 87 N 1.88 4.98 0.03 0.71 1.01 -0.13 -1.02 120.40 127.88 2a5g s VAL 87 Ca 0.36 1.27 0.07 0.00 0.00 0.00 0.00 61.98 63.68 2a5g s VAL 87 Cb -0.17 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 2a5g s VAL 87 CO 0.13 0.08 -0.19 -0.63 0.00 0.00 0.00 175.10 174.49 2a5g s ILE 88 N 2.06 1.54 0.38 2.22 1.01 0.25 0.31 121.20 128.96 2a5g s ILE 88 Ca 0.30 -1.09 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 2a5g s ILE 88 Cb -0.16 -1.33 -0.07 0.00 0.01 0.00 0.00 42.46 40.91 2a5g s ILE 88 CO 0.10 0.21 0.74 0.00 0.00 0.00 0.00 174.94 175.99 2a5g s ALA 89 N -0.74 3.38 0.31 9.38 0.00 -0.29 0.69 121.76 134.49 2a5g s ALA 89 Ca 0.06 -0.21 -0.27 0.00 0.00 0.00 0.00 51.96 51.54 2a5g s ALA 89 Cb -0.08 -2.67 -0.09 0.00 0.00 0.00 0.00 23.12 20.28 2a5g s ALA 89 CO 0.01 0.07 0.99 0.95 0.00 0.00 0.00 175.76 177.79 2a5g s THR 90 N -2.28 3.94 0.01 0.00 -4.23 -1.25 -4.80 115.64 107.03 2a5g s THR 90 Ca 0.51 1.73 -0.13 0.00 -1.18 0.00 0.00 61.69 62.61 2a5g s THR 90 Cb -0.10 -4.01 0.02 0.00 1.34 0.00 0.00 72.50 69.74 2a5g s THR 90 CO 0.29 0.24 0.27 0.00 -0.54 0.00 0.00 174.62 174.89 2a5g s ALA 91 N -1.43 -0.64 -1.92 3.99 0.00 -1.26 -4.52 121.76 115.98 2a5g s ALA 91 Ca 0.48 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2a5g s ALA 91 Cb -0.24 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.07 2a5g s ALA 91 CO 0.30 -0.32 0.30 -2.30 0.00 0.00 0.00 175.76 173.74 2a5g n PRO 92 N 0.98 0.32 -0.18 0.00 -0.02 -0.78 -1.21 135.00 134.11 2a5g n PRO 92 Ca -0.20 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.39 2a5g n PRO 92 Cb 0.57 -1.01 0.20 0.00 -0.02 0.00 0.00 33.50 33.24 2a5g n PRO 92 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2a5g n ASN 93 N -0.43 3.42 -4.84 2.55 6.94 -1.26 -4.11 115.26 117.53 2a5g n ASN 93 Ca 0.00 -1.99 -0.35 0.00 -0.02 0.00 0.00 54.58 52.22 2a5g n ASN 93 Cb 0.01 -0.23 -0.06 0.00 -2.36 0.00 0.00 39.78 37.13 2a5g n ASN 93 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2a5g s MET 94 N -1.49 3.32 0.03 -3.83 -1.94 -0.35 0.05 119.30 115.09 2a5g s MET 94 Ca 0.37 -0.27 0.05 0.00 -1.71 0.00 0.00 55.69 54.14 2a5g s MET 94 Cb 0.22 -3.06 -0.02 0.00 2.01 0.00 0.00 34.83 33.98 2a5g s MET 94 CO 0.31 0.73 -0.15 -0.06 -0.01 0.00 0.00 175.02 175.84 2a5g s PHE 95 N -1.10 1.32 -0.54 -0.03 0.08 -0.15 0.30 117.98 117.85 2a5g s PHE 95 Ca 0.19 -0.34 -0.26 0.00 0.12 0.00 0.00 56.93 56.64 2a5g s PHE 95 Cb -0.12 -0.79 0.03 0.00 -0.57 0.00 0.00 43.02 41.57 2a5g s PHE 95 CO 0.09 0.03 1.02 1.21 -0.10 0.00 0.00 175.22 177.47 2a5g s ASN 96 N -1.00 6.41 0.16 1.36 3.84 -1.26 -0.99 114.94 123.46 2a5g s ASN 96 Ca 0.03 -0.09 -0.17 0.00 0.21 0.00 0.00 52.86 52.84 2a5g s ASN 96 Cb -0.08 -2.48 0.06 0.00 -0.55 0.00 0.00 41.25 38.21 2a5g s ASN 96 CO 0.01 -1.28 1.69 0.58 -2.79 0.00 0.00 177.10 175.32 2a5g h VAL 97 N 6.08 0.70 0.00 -5.21 2.07 -1.63 -1.36 116.25 116.91 2a5g h VAL 97 Ca -0.25 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2a5g h VAL 97 Cb 1.07 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2a5g h VAL 97 CO 1.11 0.01 -0.08 0.78 0.02 0.00 0.00 177.57 179.41 2a5g h ASN 98 N 0.05 0.00 0.98 0.57 -0.26 -1.91 0.77 115.58 115.78 2a5g h ASN 98 Ca 0.17 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.74 2a5g h ASN 98 Cb 0.24 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.47 2a5g h ASN 98 CO -0.32 0.08 -1.09 0.44 -1.06 0.00 0.00 177.43 175.49 2a5g h ASP 99 N 0.00 0.00 0.02 5.81 3.32 -1.61 -1.54 116.42 122.42 2a5g h ASP 99 Ca -0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2a5g h ASP 99 Cb 0.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 2a5g h ASP 99 CO 0.01 0.67 -0.37 0.58 -1.72 0.00 0.00 179.24 178.41 2a5g h VAL 100 N 0.00 1.59 0.00 -1.35 2.07 -0.53 -3.36 116.25 114.67 2a5g h VAL 100 Ca -0.10 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.07 2a5g h VAL 100 Cb 1.60 3.16 0.00 0.00 -1.52 0.00 0.00 31.29 34.53 2a5g h VAL 100 CO 0.07 0.58 -0.26 -0.07 0.02 0.00 0.00 177.57 177.91 2a5g h LEU 101 N -0.89 0.00 0.00 2.57 3.38 -1.03 -3.45 115.31 115.88 2a5g h LEU 101 Ca -0.09 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2a5g h LEU 101 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2a5g h LEU 101 CO -0.01 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2a5g n GLY 102 N 1.29 3.78 0.20 0.83 0.00 -0.58 -1.92 105.19 108.79 2a5g n GLY 102 Ca 0.04 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2a5g n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a5g h ALA 103 N -0.99 1.47 -0.15 4.61 0.00 -1.94 -2.91 119.26 119.34 2a5g h ALA 103 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2a5g h ALA 103 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2a5g h ALA 103 CO 0.00 0.39 0.00 0.66 0.00 0.00 0.00 179.25 180.30 2a5g n TYR 104 N -4.14 0.20 -1.63 0.00 4.01 -0.81 -4.85 117.16 109.94 2a5g n TYR 104 Ca -0.02 -0.10 -0.47 0.00 -0.16 0.00 0.00 57.90 57.15 2a5g n TYR 104 Cb 0.35 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.34 2a5g n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2a5g n SER 105 N 0.02 3.33 -0.16 7.72 2.88 -1.10 -4.86 113.62 121.46 2a5g n SER 105 Ca 0.12 0.73 0.07 0.00 -1.33 0.00 0.00 58.87 58.47 2a5g n SER 105 Cb 0.22 -1.41 0.38 0.00 -0.75 0.00 0.00 64.21 62.65 2a5g n SER 105 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2a5g h PRO 106 N 11.02 0.67 -1.98 -1.46 0.11 -1.88 -3.34 132.00 135.13 2a5g h PRO 106 Ca -0.44 -0.04 -0.53 0.00 0.11 0.00 0.00 66.00 65.10 2a5g h PRO 106 Cb 1.27 -0.15 -0.36 0.00 0.11 0.00 0.00 31.00 31.87 2a5g h PRO 106 CO 0.96 0.44 -0.98 0.72 -0.21 0.00 0.00 178.00 178.93 2a5g n HIS 107 N -4.48 -0.99 0.30 0.65 8.25 -1.26 -4.99 115.22 112.69 2a5g n HIS 107 Ca 0.10 -3.22 0.17 0.00 -0.26 0.00 0.00 57.72 54.52 2a5g n HIS 107 Cb 0.25 0.14 0.96 0.00 1.12 0.00 0.00 29.99 32.45 2a5g n HIS 107 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2a5g h PRO 108 N 4.77 0.00 0.00 -0.41 0.13 -1.98 -2.13 132.00 132.38 2a5g h PRO 108 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2a5g h PRO 108 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2a5g h PRO 108 CO 0.39 0.03 0.00 -0.44 -0.23 0.00 0.00 178.00 177.74 2a5g h ASP 109 N 0.00 0.00 0.17 1.44 3.32 -1.95 -2.13 116.42 117.27 2a5g h ASP 109 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2a5g h ASP 109 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2a5g h ASP 109 CO 0.00 0.00 -0.20 0.44 -1.72 0.00 0.00 179.24 177.76 2a5g h ASP 110 N 0.00 0.08 -6.87 6.45 3.32 -1.83 -3.46 116.42 114.11 2a5g h ASP 110 Ca 0.00 -0.02 -0.58 0.00 0.02 0.00 0.00 57.03 56.46 2a5g h ASP 110 Cb 0.35 -0.02 -0.11 0.00 0.22 0.00 0.00 39.33 39.77 2a5g h ASP 110 CO 0.00 0.29 -0.96 0.00 -1.72 0.00 0.00 179.24 176.85 2a5g n GLN 111 N -4.26 -1.32 -3.04 3.56 6.02 -0.80 -4.85 117.38 112.69 2a5g n GLN 111 Ca -0.02 0.18 -0.39 0.00 -0.01 0.00 0.00 57.00 56.76 2a5g n GLN 111 Cb 0.29 -3.59 -0.06 0.00 1.02 0.00 0.00 30.24 27.90 2a5g n GLN 111 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2a5g s ASP 112 N -4.14 7.25 -0.31 1.08 3.68 -1.26 -4.23 116.67 118.75 2a5g s ASP 112 Ca 0.14 1.49 -0.03 0.00 2.13 0.00 0.00 52.55 56.29 2a5g s ASP 112 Cb -0.07 -2.46 0.05 0.00 -1.45 0.00 0.00 42.92 38.99 2a5g s ASP 112 CO 0.96 0.14 0.02 -0.69 0.13 0.00 0.00 175.17 175.73 2a5g s VAL 113 N -0.70 3.12 -0.16 1.11 1.01 -0.71 -1.44 120.40 122.64 2a5g s VAL 113 Ca 0.35 -1.34 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 2a5g s VAL 113 Cb -0.21 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 2a5g s VAL 113 CO 0.23 -0.12 0.10 -0.44 0.00 0.00 0.00 175.10 174.87 2a5g s SER 114 N 1.28 5.98 -0.37 3.32 0.01 -0.16 -0.90 113.70 122.86 2a5g s SER 114 Ca -0.05 0.25 -0.17 0.00 1.31 0.00 0.00 55.95 57.29 2a5g s SER 114 Cb -0.20 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.06 2a5g s SER 114 CO -0.00 0.27 0.45 0.00 0.41 0.00 0.00 173.24 174.37 2a5g s ALA 115 N -0.19 3.46 -0.11 1.44 0.00 0.46 -0.98 121.76 125.85 2a5g s ALA 115 Ca 0.09 -1.21 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 2a5g s ALA 115 Cb -0.12 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 2a5g s ALA 115 CO 0.01 -1.30 1.40 -1.17 0.00 0.00 0.00 175.76 174.70 2a5g s LEU 116 N 2.24 4.25 0.00 0.00 2.96 0.11 -1.02 118.68 127.22 2a5g s LEU 116 Ca 0.15 1.92 0.00 0.00 -0.22 0.00 0.00 54.13 55.98 2a5g s LEU 116 Cb -0.16 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.99 2a5g s LEU 116 CO 0.13 -0.80 0.00 0.61 -1.32 0.00 0.00 176.35 174.97 2a5g n GLY 117 N 3.78 0.76 0.00 7.98 0.00 0.45 -4.88 105.19 113.27 2a5g n GLY 117 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2a5g n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a5g n GLY 118 N -2.13 -0.28 3.04 -0.02 0.00 -1.17 -4.66 105.19 99.98 2a5g n GLY 118 Ca 0.00 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 2a5g n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a5g s ILE 119 N -1.54 1.87 0.83 -0.61 1.01 0.87 -4.98 121.20 118.64 2a5g s ILE 119 Ca 0.00 -1.13 -0.14 0.00 0.00 0.00 0.00 60.65 59.37 2a5g s ILE 119 Cb 0.00 -1.88 0.02 0.00 0.01 0.00 0.00 42.46 40.61 2a5g s ILE 119 CO 0.00 0.22 0.67 -2.65 0.00 0.00 0.00 174.94 173.17 2a5g n PRO 120 N 4.61 0.06 0.20 2.79 -0.02 -1.26 -0.36 135.00 141.01 2a5g n PRO 120 Ca -0.16 0.08 0.04 0.00 -2.02 0.00 0.00 63.50 61.44 2a5g n PRO 120 Cb 0.46 -2.00 0.40 0.00 -0.02 0.00 0.00 33.50 32.34 2a5g n PRO 120 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2a5g h TYR 121 N -0.94 0.00 0.00 6.00 3.20 -1.54 -2.52 116.97 121.17 2a5g h TYR 121 Ca -0.45 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.42 2a5g h TYR 121 Cb 1.31 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.58 2a5g h TYR 121 CO 0.39 0.35 0.00 -1.13 -1.64 0.00 0.00 178.16 176.13 2a5g n SER 122 N -3.89 0.55 0.02 -2.11 3.41 -1.26 -2.47 113.62 107.86 2a5g n SER 122 Ca -0.01 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 2a5g n SER 122 Cb 0.41 -0.74 0.15 0.00 -0.26 0.00 0.00 64.21 63.77 2a5g n SER 122 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2a5g n GLN 123 N -2.09 0.13 -2.89 4.33 7.27 -0.95 -0.29 117.38 122.89 2a5g n GLN 123 Ca 0.03 0.02 -0.43 0.00 0.07 0.00 0.00 57.00 56.68 2a5g n GLN 123 Cb 0.24 -1.56 -0.05 0.00 2.41 0.00 0.00 30.24 31.28 2a5g n GLN 123 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2a5g s ILE 124 N -3.08 4.55 0.14 1.69 1.01 -1.03 -1.14 121.20 123.34 2a5g s ILE 124 Ca 0.08 0.56 -0.15 0.00 0.00 0.00 0.00 60.65 61.14 2a5g s ILE 124 Cb 0.16 -4.39 0.01 0.00 0.01 0.00 0.00 42.46 38.25 2a5g s ILE 124 CO 0.74 -0.80 1.70 0.22 0.00 0.00 0.00 174.94 176.80 2a5g h TYR 125 N 9.05 0.66 -0.50 3.97 3.20 -0.46 -3.39 116.97 129.50 2a5g h TYR 125 Ca -0.24 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.58 2a5g h TYR 125 Cb 1.08 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.15 2a5g h TYR 125 CO 0.84 0.56 0.00 0.41 -1.64 0.00 0.00 178.16 178.33 2a5g n GLY 126 N -0.81 0.58 3.39 1.82 0.00 -1.15 -1.12 105.19 107.91 2a5g n GLY 126 Ca 0.01 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 2a5g n GLY 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2a5g s TRP 127 N -2.07 -0.53 0.36 1.61 -2.14 -0.78 -0.95 118.94 114.45 2a5g s TRP 127 Ca 0.00 1.25 -0.01 0.00 2.66 0.00 0.00 56.10 59.99 2a5g s TRP 127 Cb 0.00 0.19 -0.04 0.00 -3.10 0.00 0.00 33.47 30.53 2a5g s TRP 127 CO 0.00 -0.29 0.59 0.71 -2.66 0.00 0.00 176.95 175.30 2a5g s TYR 128 N 0.07 3.51 -0.11 1.66 2.02 -0.53 -2.04 117.35 121.93 2a5g s TYR 128 Ca -0.02 0.47 0.02 0.00 -0.37 0.00 0.00 57.07 57.18 2a5g s TYR 128 Cb -0.03 -2.00 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 2a5g s TYR 128 CO 0.01 0.06 -0.20 0.50 -1.57 0.00 0.00 175.55 174.35 2a5g s ARG 129 N -4.29 3.17 -0.30 -0.62 3.52 -1.26 -2.20 118.95 116.98 2a5g s ARG 129 Ca 0.42 -0.81 -0.04 0.00 -0.13 0.00 0.00 55.73 55.17 2a5g s ARG 129 Cb -0.10 -2.42 0.03 0.00 -1.56 0.00 0.00 34.95 30.90 2a5g s ARG 129 CO 0.37 0.19 0.02 0.08 -0.81 0.00 0.00 175.30 175.15 2a5g s VAL 130 N 0.35 3.31 -0.18 7.11 1.01 -0.07 -4.60 120.40 127.32 2a5g s VAL 130 Ca -0.16 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 60.68 2a5g s VAL 130 Cb -0.17 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2a5g s VAL 130 CO 0.08 -0.02 -0.12 -2.28 0.00 0.00 0.00 175.10 172.75 2a5g s HIS 131 N 1.35 2.85 -1.56 5.22 2.46 -0.59 -2.07 115.29 122.94 2a5g s HIS 131 Ca -0.02 -1.12 -0.15 0.00 0.47 0.00 0.00 55.06 54.25 2a5g s HIS 131 Cb -0.19 -1.97 0.10 0.00 -0.13 0.00 0.00 32.58 30.39 2a5g s HIS 131 CO -0.00 -0.56 0.89 1.19 -2.47 0.00 0.00 174.74 173.79 2a5g n PHE 132 N 4.42 -2.12 0.00 3.88 3.72 -0.54 -1.19 117.46 125.64 2a5g n PHE 132 Ca -0.19 0.84 0.00 0.00 -0.05 0.00 0.00 57.45 58.05 2a5g n PHE 132 Cb 0.51 -3.65 0.00 0.00 -0.94 0.00 0.00 39.48 35.40 2a5g n PHE 132 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2a5g n GLY 133 N -1.57 2.70 3.77 1.37 0.00 -1.26 -5.00 105.19 105.19 2a5g n GLY 133 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2a5g n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a5g s VAL 134 N -2.46 4.89 -0.57 1.61 1.01 -0.33 -5.02 120.40 119.53 2a5g s VAL 134 Ca 0.00 1.25 0.07 0.00 0.00 0.00 0.00 61.98 63.30 2a5g s VAL 134 Cb 0.00 -3.93 0.25 0.00 0.00 0.00 0.00 36.38 32.70 2a5g s VAL 134 CO 0.00 0.43 0.68 -0.11 0.00 0.00 0.00 175.10 176.10 2a5g n LEU 135 N 2.63 2.69 -0.64 3.92 0.00 -1.26 -1.55 117.00 122.79 2a5g n LEU 135 Ca -0.07 -5.22 0.08 0.00 0.00 0.00 0.00 56.01 50.80 2a5g n LEU 135 Cb 0.51 -0.28 0.08 0.00 0.00 0.00 0.00 43.42 43.73 2a5g n LEU 135 CO 0.43 2.06 0.51 -0.90 0.00 0.00 0.00 177.39 179.50 2a5g n ASP 136 N 1.01 2.38 -4.84 1.96 3.85 -1.26 -4.96 116.55 114.70 2a5g n ASP 136 Ca 0.27 -1.68 -0.38 0.00 -0.71 0.00 0.00 54.79 52.30 2a5g n ASP 136 Cb 0.45 -0.03 -0.06 0.00 -1.35 0.00 0.00 41.12 40.12 2a5g n ASP 136 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 2a5g s GLU 137 N -1.26 3.82 1.02 0.11 2.02 -1.26 -5.09 118.70 118.06 2a5g s GLU 137 Ca 0.19 0.21 -0.13 0.00 0.02 0.00 0.00 54.97 55.26 2a5g s GLU 137 Cb 0.13 -3.24 0.20 0.00 0.10 0.00 0.00 34.13 31.33 2a5g s GLU 137 CO 0.20 0.66 1.10 -0.65 0.02 0.00 0.00 175.26 176.59 2a5g s GLN 138 N -0.86 0.22 0.22 1.61 -1.52 -1.26 -4.67 119.66 113.39 2a5g s GLN 138 Ca 0.20 0.39 -0.30 0.00 -1.95 0.00 0.00 55.36 53.71 2a5g s GLN 138 Cb -0.15 -1.72 -0.09 0.00 -0.22 0.00 0.00 33.01 30.83 2a5g s GLN 138 CO 0.09 -2.85 1.27 -1.17 -0.25 0.00 0.00 175.29 172.38 2a5g s LEU 139 N -6.50 4.44 -0.29 2.90 2.96 -1.26 -4.78 118.68 116.14 2a5g s LEU 139 Ca 0.66 2.39 -0.14 0.00 -0.22 0.00 0.00 54.13 56.82 2a5g s LEU 139 Cb -0.17 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 2a5g s LEU 139 CO 0.57 -0.46 0.31 -2.28 -1.32 0.00 0.00 176.35 173.17 2a5g s HIS 140 N -0.17 3.23 0.24 5.38 5.65 -0.86 -4.95 115.29 123.80 2a5g s HIS 140 Ca 0.54 0.23 -0.30 0.00 0.25 0.00 0.00 55.06 55.78 2a5g s HIS 140 Cb -0.36 -2.53 -0.09 0.00 -1.18 0.00 0.00 32.58 28.43 2a5g s HIS 140 CO 0.40 -0.25 1.08 1.03 -0.65 0.00 0.00 174.74 176.35 2a5g s ARG 141 N 1.96 4.65 -0.33 2.88 1.81 -1.26 -1.87 118.95 126.79 2a5g s ARG 141 Ca 0.12 1.73 -0.24 0.00 -1.72 0.00 0.00 55.73 55.61 2a5g s ARG 141 Cb -0.16 -3.24 0.01 0.00 -0.45 0.00 0.00 34.95 31.11 2a5g s ARG 141 CO 0.11 0.20 0.84 1.21 -0.68 0.00 0.00 175.30 176.98 2a5g s ASN 142 N -0.63 6.67 0.40 0.23 2.47 -0.27 -4.92 114.94 118.88 2a5g s ASN 142 Ca 0.46 0.61 0.28 0.00 0.42 0.00 0.00 52.86 54.64 2a5g s ASN 142 Cb -0.30 -2.43 1.21 0.00 -1.45 0.00 0.00 41.25 38.28 2a5g s ASN 142 CO 0.37 -0.71 1.85 0.03 -3.72 0.00 0.00 177.10 174.92 2a5g h ARG 143 N 8.26 0.00 0.00 0.43 2.47 -1.92 -2.30 114.38 121.32 2a5g h ARG 143 Ca -0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 2a5g h ARG 143 Cb 1.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.41 2a5g h ARG 143 CO 0.92 0.00 -0.21 0.41 0.56 0.00 0.00 179.97 181.65 2a5g n GLY 144 N -0.10 -1.48 3.74 0.04 0.00 -1.26 -4.91 105.19 101.22 2a5g n GLY 144 Ca 0.01 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2a5g n GLY 144 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2a5g s TYR 145 N -3.05 2.86 -0.36 1.61 5.04 -0.87 -4.28 117.35 118.31 2a5g s TYR 145 Ca 0.11 0.63 0.03 0.00 -2.44 0.00 0.00 57.07 55.40 2a5g s TYR 145 Cb 0.16 -4.06 0.10 0.00 0.35 0.00 0.00 41.96 38.52 2a5g s TYR 145 CO 0.61 -3.76 0.08 1.03 -1.34 0.00 0.00 175.55 172.17 2a5g s ARG 146 N 0.29 1.56 0.17 4.97 1.81 0.61 -4.97 118.95 123.38 2a5g s ARG 146 Ca 0.68 -1.91 -0.09 0.00 -1.72 0.00 0.00 55.73 52.68 2a5g s ARG 146 Cb -0.48 -3.25 0.03 0.00 -0.45 0.00 0.00 34.95 30.80 2a5g s ARG 146 CO 0.40 -0.96 1.56 0.22 -0.68 0.00 0.00 175.30 175.83 2a5g h ASP 147 N 7.59 1.00 -0.74 0.23 3.58 -1.94 -3.03 116.42 123.11 2a5g h ASP 147 Ca -0.05 -0.38 0.20 0.00 0.42 0.00 0.00 57.03 57.21 2a5g h ASP 147 Cb 1.02 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.75 2a5g h ASP 147 CO 0.55 1.17 0.52 -0.09 -2.88 0.00 0.00 179.24 178.51 2a5g h ARG 148 N 0.84 0.11 -0.23 0.28 9.65 -1.97 0.36 114.38 123.42 2a5g h ARG 148 Ca 0.11 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.95 2a5g h ARG 148 Cb 0.80 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.35 2a5g h ARG 148 CO 0.07 0.08 0.01 1.88 2.80 0.00 0.00 179.97 184.80 2a5g h TYR 149 N 0.12 0.43 0.00 2.20 0.99 -1.93 -3.39 116.97 115.38 2a5g h TYR 149 Ca 0.36 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 61.02 2a5g h TYR 149 Cb 1.24 -0.11 0.00 0.00 1.00 0.00 0.00 36.73 38.86 2a5g h TYR 149 CO -0.00 0.56 -0.30 0.66 -0.00 0.00 0.00 178.16 179.08 2a5g n TYR 150 N -4.67 0.00 -0.18 4.88 4.01 -0.49 -4.59 117.16 116.11 2a5g n TYR 150 Ca -0.04 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.81 2a5g n TYR 150 Cb 0.23 -0.01 0.43 0.00 -0.31 0.00 0.00 39.34 39.68 2a5g n TYR 150 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2a5g h SER 151 N 0.00 0.53 -0.63 7.72 4.64 -0.53 -1.44 113.55 123.85 2a5g h SER 151 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2a5g h SER 151 Cb 0.13 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2a5g h SER 151 CO 0.00 0.31 0.00 -0.46 -0.87 0.00 0.00 176.83 175.81 2a5g n ASN 152 N -4.50 4.62 -4.29 4.97 2.04 -1.26 -3.97 115.26 112.87 2a5g n ASN 152 Ca 0.13 -2.42 -0.31 0.00 -0.44 0.00 0.00 54.58 51.53 2a5g n ASN 152 Cb 0.39 -0.56 -0.16 0.00 -2.53 0.00 0.00 39.78 36.92 2a5g n ASN 152 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2a5g s LEU 153 N -1.80 2.11 0.50 -4.53 1.43 -0.54 -4.79 118.68 111.06 2a5g s LEU 153 Ca 0.50 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 2a5g s LEU 153 Cb 0.32 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 45.17 2a5g s LEU 153 CO 0.24 0.26 0.34 1.51 0.23 0.00 0.00 176.35 178.93 2a5g s ASP 154 N -0.25 4.63 0.74 2.29 1.47 -1.26 -4.40 116.67 119.88 2a5g s ASP 154 Ca -0.01 -1.17 -0.12 0.00 1.18 0.00 0.00 52.55 52.44 2a5g s ASP 154 Cb -0.13 0.12 0.04 0.00 -0.34 0.00 0.00 42.92 42.61 2a5g s ASP 154 CO 0.03 -0.93 1.09 0.27 0.68 0.00 0.00 175.17 176.32 2a5g s ILE 155 N -2.70 3.35 0.31 2.11 -4.36 -1.26 -1.87 121.20 116.78 2a5g s ILE 155 Ca 0.36 0.49 -0.29 0.00 -0.26 0.00 0.00 60.65 60.94 2a5g s ILE 155 Cb -0.01 -2.99 -0.10 0.00 1.25 0.00 0.00 42.46 40.60 2a5g s ILE 155 CO 0.21 -0.53 1.32 0.00 0.24 0.00 0.00 174.94 176.19 2a5g s ALA 156 N -2.77 3.52 0.67 2.27 0.00 0.15 -4.80 121.76 120.79 2a5g s ALA 156 Ca 0.62 1.26 -0.17 0.00 0.00 0.00 0.00 51.96 53.68 2a5g s ALA 156 Cb -0.18 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2a5g s ALA 156 CO 0.52 -0.65 1.20 -2.14 0.00 0.00 0.00 175.76 174.70 2a5g s PRO 157 N -1.49 2.54 0.42 0.00 0.02 -1.26 -4.52 135.00 130.70 2a5g s PRO 157 Ca 0.51 1.77 0.13 0.00 0.02 0.00 0.00 61.00 63.43 2a5g s PRO 157 Cb -0.40 -1.88 0.99 0.00 0.02 0.00 0.00 34.50 33.23 2a5g s PRO 157 CO 0.51 -1.53 1.95 0.00 -0.33 0.00 0.00 177.00 177.60 2a5g h ALA 158 N 0.23 2.00 -0.68 -1.55 0.00 -1.91 -1.76 119.26 115.57 2a5g h ALA 158 Ca -0.49 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.56 2a5g h ALA 158 Cb 1.29 -0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.89 2a5g h ALA 158 CO 0.52 -0.16 0.10 0.00 0.00 0.00 0.00 179.25 179.72 2a5g h ALA 159 N 1.66 0.80 0.00 0.00 0.00 -1.91 0.30 119.26 120.11 2a5g h ALA 159 Ca 0.32 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.31 2a5g h ALA 159 Cb 0.61 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2a5g h ALA 159 CO -0.10 -0.36 -0.46 -0.44 0.00 0.00 0.00 179.25 177.89 2a5g h ASP 160 N 0.20 0.00 1.49 0.00 3.45 -1.69 -3.16 116.42 116.72 2a5g h ASP 160 Ca 0.37 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.83 2a5g h ASP 160 Cb 0.62 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.39 2a5g h ASP 160 CO -0.52 0.46 -0.03 1.23 -1.57 0.00 0.00 179.24 178.81 2a5g h GLY 161 N 2.12 0.00 1.08 2.75 0.00 -0.78 -3.33 103.07 104.91 2a5g h GLY 161 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.39 2a5g h GLY 161 CO 0.06 0.00 0.44 -0.97 0.00 0.00 0.00 176.54 176.07 2a5g h TYR 162 N 0.00 0.66 0.00 5.60 0.05 -1.34 0.45 116.97 122.39 2a5g h TYR 162 Ca -0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2a5g h TYR 162 Cb 0.79 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.31 2a5g h TYR 162 CO 0.00 0.35 0.00 0.78 -1.05 0.00 0.00 178.16 178.24 2a5g h GLY 163 N 0.65 0.00 -2.04 3.88 0.00 -1.80 -2.81 103.07 100.95 2a5g h GLY 163 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2a5g h GLY 163 CO -0.09 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.49 2a5g n LEU 164 N -2.88 3.58 -0.20 3.11 4.77 0.12 -4.55 117.00 120.94 2a5g n LEU 164 Ca 0.01 -2.10 -0.05 0.00 -0.03 0.00 0.00 56.01 53.84 2a5g n LEU 164 Cb 0.28 -0.39 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 2a5g n LEU 164 CO 0.25 0.84 1.10 0.00 -1.33 0.00 0.00 177.39 178.25 2a5g h ALA 165 N 3.12 0.75 -5.04 -1.18 0.00 -1.21 0.82 119.26 116.53 2a5g h ALA 165 Ca 0.00 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 2a5g h ALA 165 Cb 0.94 -0.20 0.12 0.00 0.00 0.00 0.00 17.79 18.65 2a5g h ALA 165 CO 0.04 0.12 -0.57 0.41 0.00 0.00 0.00 179.25 179.25 2a5g n GLY 166 N -1.26 -0.29 3.73 0.00 0.00 -1.26 0.56 105.19 106.67 2a5g n GLY 166 Ca 0.05 0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2a5g n GLY 166 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a5g s PHE 167 N -3.27 2.15 0.50 1.61 0.08 -1.26 -4.46 117.98 113.33 2a5g s PHE 167 Ca 0.45 1.62 -0.23 0.00 0.12 0.00 0.00 56.93 58.89 2a5g s PHE 167 Cb -0.20 -3.33 -0.07 0.00 -0.57 0.00 0.00 43.02 38.86 2a5g s PHE 167 CO 0.61 -2.35 1.30 -2.30 -0.10 0.00 0.00 175.22 172.38 2a5g n PRO 168 N -3.07 1.76 -0.28 0.24 -0.02 -1.26 -4.82 135.00 127.55 2a5g n PRO 168 Ca 0.12 0.64 0.33 0.00 -2.02 0.00 0.00 63.50 62.57 2a5g n PRO 168 Cb 0.51 -2.48 0.66 0.00 -0.02 0.00 0.00 33.50 32.17 2a5g n PRO 168 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2a5g h PRO 169 N 1.66 0.00 -0.38 0.52 0.11 -2.00 0.33 132.00 132.24 2a5g h PRO 169 Ca -0.50 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 2a5g h PRO 169 Cb 1.30 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.36 2a5g h PRO 169 CO 0.58 0.00 0.04 0.39 -0.21 0.00 0.00 178.00 178.80 2a5g n GLU 170 N -3.70 2.83 -2.54 1.05 1.02 -1.26 -4.18 120.64 113.86 2a5g n GLU 170 Ca 0.25 -2.98 -0.36 0.00 -0.02 0.00 0.00 57.16 54.05 2a5g n GLU 170 Cb 1.37 -1.92 -0.04 0.00 -0.02 0.00 0.00 31.44 30.84 2a5g n GLU 170 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2a5g s HIS 171 N -2.97 3.15 -1.45 -0.32 2.46 0.12 -4.93 115.29 111.35 2a5g s HIS 171 Ca 0.45 1.61 0.21 0.00 0.47 0.00 0.00 55.06 57.81 2a5g s HIS 171 Cb 0.38 -3.11 1.08 0.00 -0.13 0.00 0.00 32.58 30.80 2a5g s HIS 171 CO 0.08 -0.73 1.68 2.89 -2.47 0.00 0.00 174.74 176.18 2a5g n ARG 172 N -0.43 0.31 0.11 2.88 0.00 -1.26 -2.96 116.66 115.32 2a5g n ARG 172 Ca 0.07 0.08 -0.02 0.00 -0.00 0.00 0.00 57.85 57.98 2a5g n ARG 172 Cb 0.51 -1.50 0.02 0.00 -0.00 0.00 0.00 32.46 31.49 2a5g n ARG 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2a5g h ALA 173 N 3.02 0.61 0.00 2.89 0.00 -1.93 -2.82 119.26 121.03 2a5g h ALA 173 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2a5g h ALA 173 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2a5g h ALA 173 CO 0.00 0.92 0.00 0.91 0.00 0.00 0.00 179.25 181.08 2a5g n TRP 174 N -3.42 0.18 0.75 0.00 5.03 -1.15 -2.02 117.44 116.82 2a5g n TRP 174 Ca 0.00 0.07 0.12 0.00 3.03 0.00 0.00 57.50 60.72 2a5g n TRP 174 Cb 0.78 -0.61 0.17 0.00 -1.03 0.00 0.00 31.31 30.62 2a5g n TRP 174 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 2a5g n ARG 175 N -1.66 0.17 -4.56 -0.99 3.00 -1.07 -3.86 116.66 107.68 2a5g n ARG 175 Ca 0.04 0.03 -0.27 0.00 -0.00 0.00 0.00 57.85 57.65 2a5g n ARG 175 Cb 0.21 -1.59 -0.11 0.00 0.00 0.00 0.00 32.46 30.98 2a5g n ARG 175 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2a5g s GLU 176 N -3.10 1.91 0.36 -0.14 2.02 -0.85 -4.87 118.70 114.03 2a5g s GLU 176 Ca 0.08 -2.01 -0.26 0.00 0.02 0.00 0.00 54.97 52.80 2a5g s GLU 176 Cb 0.15 -1.69 -0.09 0.00 0.10 0.00 0.00 34.13 32.60 2a5g s GLU 176 CO 0.73 0.04 1.06 -1.21 0.02 0.00 0.00 175.26 175.89 2a5g s GLU 177 N -3.67 4.31 0.00 1.61 0.41 -1.26 -0.80 118.70 119.29 2a5g s GLU 177 Ca 0.34 1.58 0.22 0.00 -0.41 0.00 0.00 54.97 56.71 2a5g s GLU 177 Cb 0.06 -2.73 0.50 0.00 -1.78 0.00 0.00 34.13 30.18 2a5g s GLU 177 CO 0.18 -0.02 1.44 -0.35 -0.49 0.00 0.00 175.26 176.01 2a5g n PRO 178 N 0.31 2.32 0.17 0.39 -0.04 -1.26 -4.88 135.00 132.01 2a5g n PRO 178 Ca 0.03 -1.99 0.03 0.00 -0.04 0.00 0.00 63.50 61.53 2a5g n PRO 178 Cb 0.48 -1.48 0.28 0.00 -0.04 0.00 0.00 33.50 32.75 2a5g n PRO 178 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2a5g h TRP 179 N 3.88 0.00 -0.71 0.54 6.55 -1.65 -2.88 115.95 121.68 2a5g h TRP 179 Ca 0.00 0.00 0.21 0.00 0.95 0.00 0.00 58.89 60.05 2a5g h TRP 179 Cb 0.86 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 29.13 2a5g h TRP 179 CO 0.22 0.46 0.53 0.97 -1.05 0.00 0.00 178.44 179.57 2a5g h ILE 180 N 0.00 0.61 0.00 1.49 2.10 -1.08 0.25 117.51 120.89 2a5g h ILE 180 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2a5g h ILE 180 Cb 0.94 0.63 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 2a5g h ILE 180 CO 0.06 0.00 0.00 0.45 -1.08 0.00 0.00 178.15 177.58 2a5g h HIS 181 N 0.00 0.00 -0.01 2.19 3.86 -1.78 -2.91 115.15 116.50 2a5g h HIS 181 Ca 0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 2a5g h HIS 181 Cb 1.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.86 2a5g h HIS 181 CO 0.00 0.00 0.00 0.72 0.86 0.00 0.00 177.93 179.51 2a5g n HIS 182 N -2.58 0.01 -2.26 2.45 8.25 0.79 -5.07 115.22 116.81 2a5g n HIS 182 Ca 0.03 -0.75 -0.42 0.00 -0.26 0.00 0.00 57.72 56.32 2a5g n HIS 182 Cb 0.32 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 2a5g n HIS 182 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a5g s ALA 183 N -1.93 3.51 0.77 -1.41 0.00 -0.58 -4.86 121.76 117.26 2a5g s ALA 183 Ca 0.16 1.05 -0.13 0.00 0.00 0.00 0.00 51.96 53.04 2a5g s ALA 183 Cb 0.14 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.84 2a5g s ALA 183 CO 0.02 -0.51 1.15 -1.25 0.00 0.00 0.00 175.76 175.17 2a5g s PRO 184 N 0.30 2.03 -0.02 0.00 0.04 -1.26 -4.88 135.00 131.21 2a5g s PRO 184 Ca 0.58 1.51 -0.35 0.00 0.04 0.00 0.00 61.00 62.78 2a5g s PRO 184 Cb -0.35 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.22 2a5g s PRO 184 CO 0.35 -1.87 1.75 -0.35 0.04 0.00 0.00 177.00 176.92 2a5g n PRO 185 N -3.19 2.02 0.00 0.56 -0.04 -1.26 -1.99 135.00 131.10 2a5g n PRO 185 Ca 0.11 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 2a5g n PRO 185 Cb 0.52 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 2a5g n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a5g n GLY 186 N 3.98 3.09 0.00 0.55 0.00 -1.26 -5.13 105.19 106.42 2a5g n GLY 186 Ca 0.21 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.37 2a5g n GLY 186 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76