#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bsy n PRO 5 N 0.00 -0.20 -2.03 0.00 -0.04 -1.26 -4.43 135.00 127.04 2bsy n PRO 5 Ca 0.00 -1.66 -0.38 0.00 -0.04 0.00 0.00 63.50 61.42 2bsy n PRO 5 Cb 0.00 -0.60 0.01 0.00 -0.04 0.00 0.00 33.50 32.88 2bsy n PRO 5 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2bsy s HIS 6 N -2.29 2.61 -0.33 0.54 3.76 -1.26 -4.39 115.29 113.93 2bsy s HIS 6 Ca 0.46 1.45 -0.18 0.00 -0.15 0.00 0.00 55.06 56.64 2bsy s HIS 6 Cb -0.02 -3.59 -0.01 0.00 1.11 0.00 0.00 32.58 30.07 2bsy s HIS 6 CO 0.31 -2.16 0.52 0.42 -0.85 0.00 0.00 174.74 172.98 2bsy s ILE 7 N -1.41 5.02 0.05 0.60 1.01 0.19 -3.80 121.20 122.84 2bsy s ILE 7 Ca 0.66 0.50 -0.23 0.00 0.00 0.00 0.00 60.65 61.59 2bsy s ILE 7 Cb -0.35 -3.94 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 2bsy s ILE 7 CO 0.42 -0.15 0.68 -0.13 0.00 0.00 0.00 174.94 175.76 2bsy s ARG 8 N 2.40 4.40 0.10 2.79 0.52 -0.96 -0.55 118.95 127.65 2bsy s ARG 8 Ca 0.20 0.91 -0.09 0.00 -0.52 0.00 0.00 55.73 56.23 2bsy s ARG 8 Cb -0.15 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 31.99 2bsy s ARG 8 CO 0.12 0.40 0.21 1.52 0.02 0.00 0.00 175.30 177.57 2bsy s TYR 9 N -0.38 0.15 0.04 -0.53 -0.85 -0.40 -0.80 117.35 114.59 2bsy s TYR 9 Ca 0.34 -0.56 0.03 0.00 -0.52 0.00 0.00 57.07 56.36 2bsy s TYR 9 Cb -0.20 -0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.08 2bsy s TYR 9 CO 0.21 -0.57 -0.10 0.00 -1.52 0.00 0.00 175.55 173.57 2bsy s ALA 10 N -3.87 0.78 -0.13 9.51 0.00 -0.15 0.24 121.76 128.15 2bsy s ALA 10 Ca 0.06 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 2bsy s ALA 10 Cb 0.05 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.18 2bsy s ALA 10 CO -0.10 0.07 0.28 0.12 0.00 0.00 0.00 175.76 176.14 2bsy s PHE 11 N -1.12 -0.44 -0.21 0.00 5.36 -1.26 -1.32 117.98 119.00 2bsy s PHE 11 Ca -0.05 0.99 -0.05 0.00 -0.96 0.00 0.00 56.93 56.87 2bsy s PHE 11 Cb -0.09 0.05 0.11 0.00 -0.34 0.00 0.00 43.02 42.74 2bsy s PHE 11 CO 0.01 -0.33 0.36 -1.14 -1.46 0.00 0.00 175.22 172.66 2bsy s GLN 12 N 1.99 0.30 -0.30 10.12 -0.44 -0.34 -5.02 119.66 125.96 2bsy s GLN 12 Ca -0.03 0.71 -0.06 0.00 -2.50 0.00 0.00 55.36 53.48 2bsy s GLN 12 Cb -0.11 -0.19 0.19 0.00 -1.64 0.00 0.00 33.01 31.26 2bsy s GLN 12 CO -0.09 -0.46 0.82 1.21 0.50 0.00 0.00 175.29 177.27 2bsy s ASN 13 N 2.53 -0.97 0.00 6.67 3.84 -1.26 -4.49 114.94 121.26 2bsy s ASN 13 Ca 0.06 0.47 0.22 0.00 0.21 0.00 0.00 52.86 53.82 2bsy s ASN 13 Cb -0.14 1.76 1.16 0.00 -0.55 0.00 0.00 41.25 43.48 2bsy s ASN 13 CO -0.13 -0.18 1.71 -0.90 -2.79 0.00 0.00 177.10 174.81 2bsy n ASP 14 N 5.41 0.00 -0.27 -4.21 5.68 -1.26 -2.11 116.55 119.79 2bsy n ASP 14 Ca -0.01 -0.20 0.13 0.00 -0.50 0.00 0.00 54.79 54.21 2bsy n ASP 14 Cb 0.53 -0.21 0.34 0.00 -1.14 0.00 0.00 41.12 40.63 2bsy n ASP 14 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2bsy n LYS 15 N -1.21 0.88 -4.49 0.11 5.02 -1.26 -4.89 118.16 112.31 2bsy n LYS 15 Ca 0.12 -0.55 -0.23 0.00 -2.02 0.00 0.00 58.31 55.63 2bsy n LYS 15 Cb 0.15 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.54 2bsy n LYS 15 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2bsy s LEU 16 N -2.50 2.19 -0.14 -0.35 1.43 -0.90 -0.96 118.68 117.45 2bsy s LEU 16 Ca 0.24 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 2bsy s LEU 16 Cb 0.19 -0.82 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 2bsy s LEU 16 CO 0.53 0.10 0.04 -0.22 0.23 0.00 0.00 176.35 177.02 2bsy s LEU 17 N -1.26 3.74 -0.53 1.79 2.96 0.14 -4.76 118.68 120.77 2bsy s LEU 17 Ca 0.05 0.12 -0.28 0.00 -0.22 0.00 0.00 54.13 53.80 2bsy s LEU 17 Cb -0.09 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.70 2bsy s LEU 17 CO 0.02 0.26 1.51 -0.22 -1.32 0.00 0.00 176.35 176.60 2bsy s LEU 18 N -0.18 3.42 -0.01 -0.68 2.96 -1.26 -1.03 118.68 121.90 2bsy s LEU 18 Ca 0.07 0.46 -0.24 0.00 -0.22 0.00 0.00 54.13 54.19 2bsy s LEU 18 Cb -0.12 -3.09 -0.17 0.00 0.50 0.00 0.00 46.19 43.30 2bsy s LEU 18 CO 0.02 -1.76 1.19 -0.61 -1.32 0.00 0.00 176.35 173.87 2bsy h GLN 19 N 11.67 -0.24 -2.08 1.98 4.15 -1.36 -3.49 115.11 125.75 2bsy h GLN 19 Ca -0.27 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.28 2bsy h GLN 19 Cb 1.11 0.05 -0.17 0.00 0.21 0.00 0.00 27.48 28.69 2bsy h GLN 19 CO 1.16 0.13 0.53 1.14 -1.93 0.00 0.00 178.83 179.86 2bsy s GLN 20 N -4.38 0.73 -0.36 1.69 -2.07 -1.16 -5.02 119.66 109.09 2bsy s GLN 20 Ca -0.14 -0.21 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 2bsy s GLN 20 Cb 0.02 0.34 0.12 0.00 -1.09 0.00 0.00 33.01 32.40 2bsy s GLN 20 CO 0.57 -0.31 0.17 0.00 -1.32 0.00 0.00 175.29 174.40 2bsy s ALA 21 N -2.72 1.66 0.01 2.60 0.00 -1.26 -1.10 121.76 120.96 2bsy s ALA 21 Ca 0.04 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 49.97 2bsy s ALA 21 Cb -0.01 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.39 2bsy s ALA 21 CO -0.07 -1.88 -0.01 -1.12 0.00 0.00 0.00 175.76 172.68 2bsy s SER 22 N 1.07 0.12 -1.58 0.00 0.01 -0.63 -4.87 113.70 107.82 2bsy s SER 22 Ca 0.14 -0.22 -0.19 0.00 1.31 0.00 0.00 55.95 56.99 2bsy s SER 22 Cb -0.21 0.04 0.17 0.00 0.21 0.00 0.00 66.02 66.24 2bsy s SER 22 CO -0.12 -0.13 0.59 1.33 0.41 0.00 0.00 173.24 175.32 2bsy n VAL 23 N 2.43 -0.42 -0.71 3.43 0.24 -1.26 -1.15 118.33 120.89 2bsy n VAL 23 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2bsy n VAL 23 Cb 0.58 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 2bsy n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bsy n GLY 24 N -1.12 0.71 3.02 7.63 0.00 -0.98 -4.67 105.19 109.79 2bsy n GLY 24 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 2bsy n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bsy s ARG 25 N -0.29 1.70 -0.16 1.61 3.52 -0.30 -4.17 118.95 120.86 2bsy s ARG 25 Ca 0.00 -0.41 -0.10 0.00 -0.13 0.00 0.00 55.73 55.09 2bsy s ARG 25 Cb 0.00 -1.41 -0.05 0.00 -1.56 0.00 0.00 34.95 31.94 2bsy s ARG 25 CO 0.00 0.03 0.17 -1.17 -0.81 0.00 0.00 175.30 173.52 2bsy s LEU 26 N 0.67 4.29 -0.08 -0.88 0.20 -0.20 -1.61 118.68 121.07 2bsy s LEU 26 Ca -0.15 0.39 0.02 0.00 0.69 0.00 0.00 54.13 55.08 2bsy s LEU 26 Cb -0.16 -2.15 0.01 0.00 -0.43 0.00 0.00 46.19 43.46 2bsy s LEU 26 CO 0.04 0.25 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.33 2bsy s THR 27 N -0.14 1.23 0.13 3.68 2.01 -0.25 -1.10 115.64 121.19 2bsy s THR 27 Ca 0.12 -0.52 0.07 0.00 0.31 0.00 0.00 61.69 61.67 2bsy s THR 27 Cb -0.12 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 2bsy s THR 27 CO 0.02 0.38 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.51 2bsy s LEU 28 N 0.76 3.18 0.07 4.42 1.43 0.29 -0.89 118.68 127.94 2bsy s LEU 28 Ca -0.13 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.65 2bsy s LEU 28 Cb -0.16 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 2bsy s LEU 28 CO 0.03 0.14 -0.15 0.68 0.23 0.00 0.00 176.35 177.28 2bsy s VAL 29 N -1.44 1.15 0.04 -1.59 -7.23 -0.20 -0.65 120.40 110.48 2bsy s VAL 29 Ca 0.24 -1.33 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 2bsy s VAL 29 Cb -0.10 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 2bsy s VAL 29 CO 0.16 -0.22 1.08 0.54 -0.31 0.00 0.00 175.10 176.35 2bsy s ASN 30 N -1.76 7.24 0.21 4.85 4.22 -1.03 -0.69 114.94 127.98 2bsy s ASN 30 Ca -0.01 1.84 0.23 0.00 -2.14 0.00 0.00 52.86 52.77 2bsy s ASN 30 Cb -0.10 -2.58 0.07 0.00 1.28 0.00 0.00 41.25 39.92 2bsy s ASN 30 CO 0.02 -0.35 1.12 0.11 -2.04 0.00 0.00 177.10 175.97 2bsy h LYS 31 N 6.72 0.00 -5.67 3.55 1.57 -1.39 0.97 116.57 122.32 2bsy h LYS 31 Ca -0.41 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.85 2bsy h LYS 31 Cb 1.22 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.39 2bsy h LYS 31 CO 0.78 0.00 -0.70 0.95 -0.57 0.00 0.00 179.45 179.91 2bsy s THR 32 N -3.33 1.85 0.16 -0.16 -4.23 -1.24 -4.71 115.64 103.98 2bsy s THR 32 Ca 0.01 -2.19 -0.30 0.00 -1.18 0.00 0.00 61.69 58.03 2bsy s THR 32 Cb 0.10 -2.39 -0.08 0.00 1.34 0.00 0.00 72.50 71.47 2bsy s THR 32 CO 0.77 -0.35 1.21 -0.89 -0.54 0.00 0.00 174.62 174.82 2bsy s THR 33 N -2.88 3.63 -0.22 3.99 2.01 -1.26 -4.30 115.64 116.61 2bsy s THR 33 Ca 0.29 1.32 -0.04 0.00 0.31 0.00 0.00 61.69 63.57 2bsy s THR 33 Cb 0.02 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 2bsy s THR 33 CO 0.12 0.19 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.56 2bsy s ILE 34 N 0.18 3.38 -0.14 1.82 1.01 -0.33 -4.97 121.20 122.14 2bsy s ILE 34 Ca 0.54 -0.49 -0.17 0.00 0.00 0.00 0.00 60.65 60.53 2bsy s ILE 34 Cb -0.32 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 2bsy s ILE 34 CO 0.35 0.43 0.42 -0.22 0.00 0.00 0.00 174.94 175.92 2bsy s LEU 35 N 1.43 4.24 -0.30 2.97 2.96 -1.26 -0.82 118.68 127.90 2bsy s LEU 35 Ca 0.05 0.69 -0.05 0.00 -0.22 0.00 0.00 54.13 54.60 2bsy s LEU 35 Cb -0.14 -2.59 0.02 0.00 0.50 0.00 0.00 46.19 43.98 2bsy s LEU 35 CO -0.03 0.00 0.05 -0.76 -1.32 0.00 0.00 176.35 174.30 2bsy s LEU 36 N 0.74 3.82 0.49 -0.68 1.02 0.46 -4.99 118.68 119.55 2bsy s LEU 36 Ca 0.23 -0.87 -0.21 0.00 0.02 0.00 0.00 54.13 53.29 2bsy s LEU 36 Cb -0.15 -1.82 -0.07 0.00 0.02 0.00 0.00 46.19 44.17 2bsy s LEU 36 CO 0.08 -0.21 1.11 -0.13 0.02 0.00 0.00 176.35 177.22 2bsy s ARG 37 N 1.43 3.67 0.55 1.70 0.52 -1.26 -1.20 118.95 124.34 2bsy s ARG 37 Ca 0.01 1.58 -0.18 0.00 -0.52 0.00 0.00 55.73 56.61 2bsy s ARG 37 Cb -0.18 -2.19 -0.06 0.00 0.52 0.00 0.00 34.95 33.04 2bsy s ARG 37 CO 0.01 -0.58 1.07 -1.25 0.02 0.00 0.00 175.30 174.56 2bsy s PRO 38 N -3.03 3.48 -0.20 3.54 0.04 -1.26 -3.69 135.00 133.89 2bsy s PRO 38 Ca 0.67 1.36 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2bsy s PRO 38 Cb -0.23 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2bsy s PRO 38 CO 0.27 -0.70 0.00 -1.33 0.04 0.00 0.00 177.00 175.28 2bsy n MET 39 N -1.50 -1.03 -4.11 4.56 2.81 -1.25 -4.97 117.12 111.63 2bsy n MET 39 Ca 0.10 0.37 -0.13 0.00 -1.81 0.00 0.00 57.70 56.22 2bsy n MET 39 Cb 0.52 -4.21 -0.11 0.00 -0.71 0.00 0.00 33.22 28.71 2bsy n MET 39 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2bsy s LYS 40 N -1.38 0.67 0.18 0.03 1.02 -1.24 -3.55 119.74 115.46 2bsy s LYS 40 Ca 0.00 -0.95 -0.28 0.00 0.02 0.00 0.00 55.97 54.77 2bsy s LYS 40 Cb 0.00 -0.38 -0.08 0.00 -0.52 0.00 0.00 37.83 36.85 2bsy s LYS 40 CO 0.00 0.06 0.86 0.99 -0.92 0.00 0.00 175.35 176.34 2bsy s THR 41 N -1.93 4.30 -0.19 2.17 2.01 -1.26 -4.46 115.64 116.28 2bsy s THR 41 Ca -0.03 1.88 -0.01 0.00 0.31 0.00 0.00 61.69 63.84 2bsy s THR 41 Cb -0.06 -4.23 -0.00 0.00 0.01 0.00 0.00 72.50 68.22 2bsy s THR 41 CO -0.00 0.48 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.40 2bsy s THR 42 N -0.95 2.89 -0.11 -0.82 2.01 -0.56 -4.98 115.64 113.12 2bsy s THR 42 Ca 0.39 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 2bsy s THR 42 Cb -0.24 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 2bsy s THR 42 CO 0.29 0.48 -0.05 0.42 -0.69 0.00 0.00 174.62 175.06 2bsy s THR 43 N 1.18 3.81 -0.27 -0.82 -4.23 -1.26 -0.19 115.64 113.85 2bsy s THR 43 Ca 0.02 -0.42 -0.07 0.00 -1.18 0.00 0.00 61.69 60.04 2bsy s THR 43 Cb -0.14 -2.61 -0.00 0.00 1.34 0.00 0.00 72.50 71.08 2bsy s THR 43 CO -0.04 0.55 0.07 -0.69 -0.54 0.00 0.00 174.62 173.97 2bsy s VAL 44 N -0.29 4.03 -0.40 2.29 1.01 0.73 -4.97 120.40 122.80 2bsy s VAL 44 Ca 0.04 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 2bsy s VAL 44 Cb -0.13 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.28 2bsy s VAL 44 CO 0.02 0.20 1.09 -1.81 0.00 0.00 0.00 175.10 174.60 2bsy s ASP 45 N 1.54 6.77 0.30 3.32 1.01 -1.26 -1.09 116.67 127.26 2bsy s ASP 45 Ca 0.04 0.73 0.19 0.00 0.71 0.00 0.00 52.55 54.22 2bsy s ASP 45 Cb -0.16 -2.54 0.12 0.00 1.01 0.00 0.00 42.92 41.35 2bsy s ASP 45 CO 0.02 -1.05 1.39 -0.07 0.21 0.00 0.00 175.17 175.67 2bsy h LEU 46 N 10.62 0.00 0.99 1.23 3.38 -1.78 -3.47 115.31 126.28 2bsy h LEU 46 Ca -0.22 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.53 2bsy h LEU 46 Cb 1.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 2bsy h LEU 46 CO 1.07 0.30 -0.24 0.61 0.09 0.00 0.00 178.44 180.27 2bsy n GLY 47 N 1.20 0.63 3.27 0.83 0.00 -1.26 -4.64 105.19 105.22 2bsy n GLY 47 Ca 0.01 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 2bsy n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bsy s LEU 48 N -2.77 2.12 -0.02 0.99 2.96 -1.26 -1.20 118.68 119.50 2bsy s LEU 48 Ca 0.00 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 2bsy s LEU 48 Cb 0.00 -1.40 -0.00 0.00 0.50 0.00 0.00 46.19 45.29 2bsy s LEU 48 CO 0.00 0.22 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.85 2bsy s TYR 49 N -0.01 0.85 -0.01 5.38 1.51 -0.43 -0.90 117.35 123.73 2bsy s TYR 49 Ca -0.08 -0.18 -0.21 0.00 -1.01 0.00 0.00 57.07 55.58 2bsy s TYR 49 Cb -0.15 -0.58 0.04 0.00 -0.11 0.00 0.00 41.96 41.16 2bsy s TYR 49 CO 0.05 -0.06 0.46 0.00 -1.11 0.00 0.00 175.55 174.90 2bsy s ALA 50 N 0.01 -1.19 -0.09 3.71 0.00 -1.26 -0.97 121.76 121.97 2bsy s ALA 50 Ca -0.00 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 2bsy s ALA 50 Cb -0.06 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.21 2bsy s ALA 50 CO 0.00 -0.35 -0.04 1.03 0.00 0.00 0.00 175.76 176.40 2bsy s ARG 51 N -1.57 1.06 0.55 0.00 0.52 0.02 -4.85 118.95 114.68 2bsy s ARG 51 Ca -0.11 -0.07 -0.12 0.00 -0.52 0.00 0.00 55.73 54.91 2bsy s ARG 51 Cb -0.02 -1.26 -0.05 0.00 0.52 0.00 0.00 34.95 34.14 2bsy s ARG 51 CO 0.05 -0.27 0.97 -1.25 0.02 0.00 0.00 175.30 174.81 2bsy s PRO 52 N 1.79 3.72 0.87 3.54 0.04 -1.26 -2.26 135.00 141.44 2bsy s PRO 52 Ca 0.04 0.74 -0.12 0.00 0.04 0.00 0.00 61.00 61.70 2bsy s PRO 52 Cb -0.13 -2.16 0.11 0.00 0.04 0.00 0.00 34.50 32.37 2bsy s PRO 52 CO -0.06 -0.39 1.12 -1.25 0.04 0.00 0.00 177.00 176.45 2bsy s PRO 53 N -4.66 1.49 0.17 0.56 0.04 -1.25 -4.90 135.00 126.45 2bsy s PRO 53 Ca 0.55 0.47 -0.32 0.00 0.04 0.00 0.00 61.00 61.74 2bsy s PRO 53 Cb -0.11 -1.87 -0.17 0.00 0.04 0.00 0.00 34.50 32.40 2bsy s PRO 53 CO 0.44 -1.99 0.96 -1.91 0.04 0.00 0.00 177.00 174.54 2bsy n GLU 54 N -3.66 0.70 -0.66 4.56 4.07 -1.26 -1.82 120.64 122.57 2bsy n GLU 54 Ca 0.07 0.25 0.00 0.00 -0.06 0.00 0.00 57.16 57.41 2bsy n GLU 54 Cb 0.58 -1.60 0.00 0.00 -0.06 0.00 0.00 31.44 30.36 2bsy n GLU 54 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2bsy n GLY 55 N 1.82 1.05 3.36 8.31 0.00 -1.26 -5.01 105.19 113.46 2bsy n GLY 55 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2bsy n GLY 55 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bsy s HIS 56 N -3.41 2.18 0.48 1.61 3.76 -0.76 -3.17 115.29 115.98 2bsy s HIS 56 Ca 0.00 -0.39 0.06 0.00 -0.15 0.00 0.00 55.06 54.58 2bsy s HIS 56 Cb 0.00 -1.19 0.06 0.00 1.11 0.00 0.00 32.58 32.56 2bsy s HIS 56 CO 0.00 0.30 0.48 0.41 -0.85 0.00 0.00 174.74 175.08 2bsy n GLY 57 N 0.99 2.46 3.37 -2.22 0.00 -0.17 -4.62 105.19 104.99 2bsy n GLY 57 Ca -0.18 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.29 2bsy n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bsy s LEU 58 N 0.00 2.27 -0.11 0.99 1.43 -1.00 -1.54 118.68 120.72 2bsy s LEU 58 Ca 0.36 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2bsy s LEU 58 Cb -0.03 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 2bsy s LEU 58 CO 0.23 0.20 -0.15 -0.32 0.23 0.00 0.00 176.35 176.54 2bsy s MET 59 N -1.77 3.18 -0.14 1.70 -2.45 0.79 -0.61 119.30 120.01 2bsy s MET 59 Ca 0.13 -0.72 0.02 0.00 -1.25 0.00 0.00 55.69 53.86 2bsy s MET 59 Cb -0.10 -2.53 0.02 0.00 1.25 0.00 0.00 34.83 33.47 2bsy s MET 59 CO 0.05 0.27 -0.18 -1.17 1.05 0.00 0.00 175.02 175.04 2bsy s LEU 60 N 0.18 1.91 0.08 4.11 2.96 -0.28 -1.82 118.68 125.82 2bsy s LEU 60 Ca -0.09 -0.54 -0.11 0.00 -0.22 0.00 0.00 54.13 53.18 2bsy s LEU 60 Cb -0.15 -1.29 0.01 0.00 0.50 0.00 0.00 46.19 45.25 2bsy s LEU 60 CO 0.05 0.02 0.25 -1.66 -1.32 0.00 0.00 176.35 173.69 2bsy s TRP 61 N 1.09 0.03 0.16 5.38 -2.14 -0.52 -0.48 118.94 122.45 2bsy s TRP 61 Ca -0.02 -0.38 0.07 0.00 2.66 0.00 0.00 56.10 58.43 2bsy s TRP 61 Cb -0.14 0.03 -0.04 0.00 -3.10 0.00 0.00 33.47 30.21 2bsy s TRP 61 CO -0.06 -0.55 -0.04 0.20 -2.66 0.00 0.00 176.95 173.84 2bsy s GLY 62 N -2.64 1.76 -0.03 3.67 0.00 -1.26 -0.53 107.32 108.29 2bsy s GLY 62 Ca 0.02 -1.35 0.01 0.00 0.00 0.00 0.00 44.72 43.40 2bsy s GLY 62 CO -0.09 -1.36 -0.02 -0.56 0.00 0.00 0.00 173.10 171.07 2bsy s SER 63 N -2.75 0.58 0.04 1.64 0.01 0.12 -4.81 113.70 108.54 2bsy s SER 63 Ca 0.26 -0.07 -0.24 0.00 1.31 0.00 0.00 55.95 57.20 2bsy s SER 63 Cb -0.10 -0.25 0.06 0.00 0.21 0.00 0.00 66.02 65.95 2bsy s SER 63 CO 0.17 -0.05 0.57 0.28 0.41 0.00 0.00 173.24 174.62 2bsy s THR 64 N 0.70 0.02 -2.16 1.44 -1.32 -1.26 -1.55 115.64 111.51 2bsy s THR 64 Ca -0.08 -0.14 0.26 0.00 -1.21 0.00 0.00 61.69 60.52 2bsy s THR 64 Cb -0.11 -0.98 0.28 0.00 -1.51 0.00 0.00 72.50 70.18 2bsy s THR 64 CO -0.01 -0.08 1.48 -1.54 -2.21 0.00 0.00 174.62 172.27 2bsy n SER 65 N 0.39 1.59 -4.88 8.08 3.41 -1.26 -4.93 113.62 116.03 2bsy n SER 65 Ca -0.18 -1.31 -0.30 0.00 -0.26 0.00 0.00 58.87 56.82 2bsy n SER 65 Cb 0.60 0.15 0.06 0.00 -0.26 0.00 0.00 64.21 64.76 2bsy n SER 65 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2bsy s ARG 66 N -2.30 2.67 -1.59 4.33 1.81 -1.26 -4.92 118.95 117.69 2bsy s ARG 66 Ca 0.27 0.45 -0.11 0.00 -1.72 0.00 0.00 55.73 54.62 2bsy s ARG 66 Cb 0.20 -2.00 -0.06 0.00 -0.45 0.00 0.00 34.95 32.64 2bsy s ARG 66 CO 0.45 -1.16 2.81 -0.35 -0.68 0.00 0.00 175.30 176.37 2bsy n PRO 67 N -3.09 3.56 -4.26 3.54 -0.04 -1.26 -4.81 135.00 128.64 2bsy n PRO 67 Ca 0.07 -2.31 -0.19 0.00 -0.04 0.00 0.00 63.50 61.03 2bsy n PRO 67 Cb 0.57 -2.89 -0.15 0.00 -0.04 0.00 0.00 33.50 30.99 2bsy n PRO 67 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2bsy s VAL 68 N 2.29 0.59 -0.09 0.52 1.01 -1.26 -1.37 120.40 122.09 2bsy s VAL 68 Ca 0.65 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.40 2bsy s VAL 68 Cb 0.17 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 2bsy s VAL 68 CO -0.07 0.19 -0.14 -0.89 0.00 0.00 0.00 175.10 174.19 2bsy s THR 69 N 0.24 2.99 -0.02 3.92 2.01 -0.09 -4.87 115.64 119.82 2bsy s THR 69 Ca -0.03 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.27 2bsy s THR 69 Cb -0.08 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2bsy s THR 69 CO 0.00 0.56 -0.05 -0.55 -0.69 0.00 0.00 174.62 173.89 2bsy s SER 70 N -0.18 4.79 0.35 3.53 0.15 -1.26 -0.67 113.70 120.41 2bsy s SER 70 Ca -0.00 -0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.30 2bsy s SER 70 Cb -0.13 -1.19 -0.11 0.00 -1.71 0.00 0.00 66.02 62.87 2bsy s SER 70 CO 0.03 0.31 1.52 -2.28 1.20 0.00 0.00 173.24 174.02 2bsy s HIS 71 N -0.96 2.63 -0.32 3.44 2.46 -0.03 -4.84 115.29 117.67 2bsy s HIS 71 Ca 0.16 1.06 -0.17 0.00 0.47 0.00 0.00 55.06 56.58 2bsy s HIS 71 Cb -0.11 -4.03 -0.01 0.00 -0.13 0.00 0.00 32.58 28.29 2bsy s HIS 71 CO 0.06 -3.15 0.48 0.08 -2.47 0.00 0.00 174.74 169.74 2bsy s VAL 72 N -0.81 5.06 -0.15 0.89 1.01 -1.26 -4.57 120.40 120.56 2bsy s VAL 72 Ca 0.56 0.46 -0.10 0.00 0.00 0.00 0.00 61.98 62.90 2bsy s VAL 72 Cb -0.47 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 2bsy s VAL 72 CO 0.59 -0.09 0.19 -0.83 0.00 0.00 0.00 175.10 174.96 2bsy s GLY 73 N 1.70 2.15 -0.27 4.51 0.00 0.37 -4.60 107.32 111.17 2bsy s GLY 73 Ca 0.18 -0.58 -0.11 0.00 0.00 0.00 0.00 44.72 44.21 2bsy s GLY 73 CO 0.12 0.06 0.21 -0.42 0.00 0.00 0.00 173.10 173.07 2bsy s ILE 74 N -0.12 5.30 -0.24 0.90 -1.09 -1.26 -1.13 121.20 123.56 2bsy s ILE 74 Ca 0.13 0.22 -0.07 0.00 -2.23 0.00 0.00 60.65 58.69 2bsy s ILE 74 Cb -0.12 -3.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 2bsy s ILE 74 CO 0.02 0.25 0.07 -0.63 -1.23 0.00 0.00 174.94 173.42 2bsy s ILE 75 N 1.71 4.35 0.40 2.92 -1.09 0.22 -5.01 121.20 124.70 2bsy s ILE 75 Ca 0.08 -0.16 -0.23 0.00 -2.23 0.00 0.00 60.65 58.11 2bsy s ILE 75 Cb -0.16 -3.03 -0.10 0.00 -1.58 0.00 0.00 42.46 37.60 2bsy s ILE 75 CO 0.10 0.35 1.00 -1.81 -1.23 0.00 0.00 174.94 173.35 2bsy s ASP 76 N 1.54 6.85 0.54 3.58 1.01 -1.26 -2.38 116.67 126.54 2bsy s ASP 76 Ca 0.06 1.90 0.27 0.00 0.71 0.00 0.00 52.55 55.49 2bsy s ASP 76 Cb -0.15 -2.57 1.54 0.00 1.01 0.00 0.00 42.92 42.75 2bsy s ASP 76 CO 0.04 -0.42 2.13 1.55 0.21 0.00 0.00 175.17 178.67 2bsy h PRO 77 N 2.36 0.00 -0.02 8.23 0.13 -1.82 -1.40 132.00 139.48 2bsy h PRO 77 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2bsy h PRO 77 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2bsy h PRO 77 CO 0.62 0.09 0.00 0.41 -0.23 0.00 0.00 178.00 178.89 2bsy n GLY 78 N -0.91 -0.29 3.64 1.56 0.00 -1.26 -4.69 105.19 103.25 2bsy n GLY 78 Ca -0.02 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 2bsy n GLY 78 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bsy s TYR 79 N -1.98 2.82 -0.66 1.61 5.04 -0.53 -4.86 117.35 118.79 2bsy s TYR 79 Ca 0.40 0.98 0.07 0.00 -2.44 0.00 0.00 57.07 56.08 2bsy s TYR 79 Cb 0.21 -3.71 0.20 0.00 0.35 0.00 0.00 41.96 39.01 2bsy s TYR 79 CO 0.33 -1.56 1.15 0.25 -1.34 0.00 0.00 175.55 174.38 2bsy n THR 80 N 5.83 0.93 -1.59 4.34 -2.24 -1.26 -4.79 114.28 115.51 2bsy n THR 80 Ca 0.14 -0.97 -0.09 0.00 -2.27 0.00 0.00 64.05 60.86 2bsy n THR 80 Cb 0.46 0.54 0.06 0.00 -2.10 0.00 0.00 70.33 69.29 2bsy n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bsy n GLY 81 N 0.21 -0.73 3.76 3.38 0.00 -1.26 -4.95 105.19 105.59 2bsy n GLY 81 Ca 0.08 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 2bsy n GLY 81 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bsy s GLU 82 N -3.80 4.75 0.14 1.61 2.12 -1.26 -4.67 118.70 117.59 2bsy s GLU 82 Ca 0.25 1.56 -0.23 0.00 0.36 0.00 0.00 54.97 56.91 2bsy s GLU 82 Cb -0.01 -3.19 -0.08 0.00 0.26 0.00 0.00 34.13 31.12 2bsy s GLU 82 CO 0.17 0.39 0.71 -0.51 -0.54 0.00 0.00 175.26 175.48 2bsy s LEU 83 N -1.38 4.56 0.04 2.70 1.02 -0.07 -5.00 118.68 120.55 2bsy s LEU 83 Ca 0.43 1.51 0.06 0.00 0.02 0.00 0.00 54.13 56.15 2bsy s LEU 83 Cb -0.27 -3.17 -0.02 0.00 0.02 0.00 0.00 46.19 42.74 2bsy s LEU 83 CO 0.34 0.23 -0.16 0.00 0.02 0.00 0.00 176.35 176.77 2bsy s ARG 84 N -1.17 1.10 -0.19 1.70 1.70 -1.26 -1.97 118.95 118.86 2bsy s ARG 84 Ca 0.34 -0.80 -0.05 0.00 -0.47 0.00 0.00 55.73 54.74 2bsy s ARG 84 Cb -0.22 -1.15 -0.03 0.00 -0.57 0.00 0.00 34.95 32.99 2bsy s ARG 84 CO 0.24 0.29 0.01 -1.17 -1.08 0.00 0.00 175.30 173.58 2bsy s LEU 85 N -1.09 3.40 -0.25 -1.89 2.96 -0.25 -4.95 118.68 116.61 2bsy s LEU 85 Ca 0.04 -0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 53.75 2bsy s LEU 85 Cb -0.08 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 2bsy s LEU 85 CO 0.01 0.12 0.12 -0.63 -1.32 0.00 0.00 176.35 174.65 2bsy s ILE 86 N 0.70 4.79 0.11 6.68 1.01 -1.26 -0.19 121.20 133.03 2bsy s ILE 86 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 60.65 60.75 2bsy s ILE 86 Cb -0.14 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 2bsy s ILE 86 CO 0.02 0.32 -0.27 -0.76 0.00 0.00 0.00 174.94 174.25 2bsy s LEU 87 N 1.54 2.29 0.06 2.97 1.43 0.74 -0.85 118.68 126.86 2bsy s LEU 87 Ca 0.06 -0.71 0.05 0.00 -1.03 0.00 0.00 54.13 52.50 2bsy s LEU 87 Cb -0.15 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 2bsy s LEU 87 CO 0.06 0.20 -0.14 -1.10 0.23 0.00 0.00 176.35 175.60 2bsy s GLN 88 N -1.87 0.83 -0.23 1.70 -1.52 0.15 -1.49 119.66 117.23 2bsy s GLN 88 Ca 0.14 -0.91 -0.18 0.00 -1.95 0.00 0.00 55.36 52.46 2bsy s GLN 88 Cb -0.10 -0.83 -0.03 0.00 -0.22 0.00 0.00 33.01 31.83 2bsy s GLN 88 CO 0.05 0.19 0.50 1.21 -0.25 0.00 0.00 175.29 176.99 2bsy s ASN 89 N -1.62 6.49 0.34 5.90 3.84 -1.26 -0.91 114.94 127.71 2bsy s ASN 89 Ca -0.02 0.58 0.27 0.00 0.21 0.00 0.00 52.86 53.90 2bsy s ASN 89 Cb -0.10 -2.28 0.95 0.00 -0.55 0.00 0.00 41.25 39.27 2bsy s ASN 89 CO 0.02 -0.21 1.78 1.56 -2.79 0.00 0.00 177.10 177.46 2bsy h GLN 90 N 7.70 0.00 -6.45 0.43 4.20 -1.58 -3.44 115.11 115.97 2bsy h GLN 90 Ca -0.32 0.00 -0.43 0.00 0.06 0.00 0.00 58.65 57.96 2bsy h GLN 90 Cb 1.15 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.95 2bsy h GLN 90 CO 0.72 0.00 -0.26 1.03 -0.67 0.00 0.00 178.83 179.66 2bsy s ARG 91 N -3.33 2.95 -0.02 1.46 0.52 -1.26 -5.01 118.95 114.25 2bsy s ARG 91 Ca 0.05 -1.02 0.19 0.00 -0.52 0.00 0.00 55.73 54.43 2bsy s ARG 91 Cb 0.09 -2.74 0.58 0.00 0.52 0.00 0.00 34.95 33.40 2bsy s ARG 91 CO 0.51 -0.17 1.48 0.54 0.02 0.00 0.00 175.30 177.68 2bsy n ARG 92 N -1.83 2.70 -4.40 3.54 1.74 -1.26 -4.51 116.66 112.63 2bsy n ARG 92 Ca 0.04 -2.33 -0.20 0.00 -0.77 0.00 0.00 57.85 54.59 2bsy n ARG 92 Cb 0.59 -1.57 -0.10 0.00 -1.02 0.00 0.00 32.46 30.35 2bsy n ARG 92 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2bsy s TYR 93 N -1.32 1.82 0.26 -1.55 1.51 -1.26 -4.82 117.35 111.99 2bsy s TYR 93 Ca 0.43 -0.99 -0.30 0.00 -1.01 0.00 0.00 57.07 55.20 2bsy s TYR 93 Cb 0.24 -1.14 -0.14 0.00 -0.11 0.00 0.00 41.96 40.81 2bsy s TYR 93 CO 0.27 -0.06 1.26 0.09 -1.11 0.00 0.00 175.55 176.01 2bsy n ASN 94 N -0.60 2.23 -4.21 2.29 4.13 -1.26 -4.23 115.26 113.61 2bsy n ASN 94 Ca -0.02 1.16 -0.30 0.00 1.68 0.00 0.00 54.58 57.11 2bsy n ASN 94 Cb 0.66 -1.38 -0.16 0.00 -1.54 0.00 0.00 39.78 37.36 2bsy n ASN 94 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2bsy s SER 95 N -0.05 2.73 -0.00 6.41 0.01 -0.34 -4.99 113.70 117.46 2bsy s SER 95 Ca 0.64 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 57.49 2bsy s SER 95 Cb -0.68 -0.80 -0.03 0.00 0.21 0.00 0.00 66.02 64.72 2bsy s SER 95 CO 0.55 0.20 -0.10 -0.89 0.41 0.00 0.00 173.24 173.41 2bsy s THR 96 N -0.03 3.37 -0.45 1.44 2.01 -1.26 -0.40 115.64 120.31 2bsy s THR 96 Ca -0.05 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.00 2bsy s THR 96 Cb -0.13 -2.43 0.08 0.00 0.01 0.00 0.00 72.50 70.03 2bsy s THR 96 CO 0.04 0.44 0.34 -0.76 -0.69 0.00 0.00 174.62 173.98 2bsy s LEU 97 N -1.24 5.44 0.86 4.42 1.43 -0.00 -4.98 118.68 124.60 2bsy s LEU 97 Ca 0.15 -1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 51.70 2bsy s LEU 97 Cb -0.11 -2.09 0.11 0.00 0.03 0.00 0.00 46.19 44.13 2bsy s LEU 97 CO 0.05 -0.61 1.09 -0.13 0.23 0.00 0.00 176.35 176.99 2bsy s ARG 98 N 1.53 1.56 0.27 1.70 0.52 -1.26 -1.19 118.95 122.09 2bsy s ARG 98 Ca 0.04 0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 55.79 2bsy s ARG 98 Cb -0.24 -1.84 -0.14 0.00 0.52 0.00 0.00 34.95 33.25 2bsy s ARG 98 CO 0.04 -2.04 1.21 -2.30 0.02 0.00 0.00 175.30 172.23 2bsy n PRO 99 N -3.75 1.70 -0.46 3.54 -0.02 -1.26 -1.25 135.00 133.50 2bsy n PRO 99 Ca 0.07 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2bsy n PRO 99 Cb 0.55 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2bsy n PRO 99 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bsy n SER 100 N 1.45 0.00 0.14 2.55 3.41 0.34 -4.88 113.62 116.63 2bsy n SER 100 Ca 0.10 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.83 2bsy n SER 100 Cb 0.32 -0.01 0.29 0.00 -0.26 0.00 0.00 64.21 64.55 2bsy n SER 100 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2bsy h GLU 101 N 2.46 0.00 -5.13 4.33 5.08 -1.44 -3.43 114.58 116.44 2bsy h GLU 101 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 2bsy h GLU 101 Cb 0.00 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 28.96 2bsy h GLU 101 CO 0.00 0.00 -0.77 -1.17 -1.00 0.00 0.00 179.01 176.07 2bsy s LEU 102 N -5.09 2.65 -0.06 1.33 2.96 -1.26 -4.41 118.68 114.80 2bsy s LEU 102 Ca 0.09 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 2bsy s LEU 102 Cb 0.10 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 2bsy s LEU 102 CO 0.64 0.05 0.00 -0.54 -1.32 0.00 0.00 176.35 175.18 2bsy s LYS 103 N 1.02 2.92 -0.10 1.98 3.01 -0.59 -2.46 119.74 125.52 2bsy s LYS 103 Ca -0.01 -0.47 0.01 0.00 -1.01 0.00 0.00 55.97 54.49 2bsy s LYS 103 Cb -0.15 -2.75 0.02 0.00 -1.01 0.00 0.00 37.83 33.94 2bsy s LYS 103 CO -0.02 0.68 -0.12 0.42 0.51 0.00 0.00 175.35 176.82 2bsy s ILE 104 N -0.95 1.28 0.02 2.17 1.01 0.18 -0.70 121.20 124.21 2bsy s ILE 104 Ca 0.15 -0.50 0.09 0.00 0.00 0.00 0.00 60.65 60.39 2bsy s ILE 104 Cb -0.11 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 2bsy s ILE 104 CO 0.05 0.40 -0.26 -1.00 0.00 0.00 0.00 174.94 174.13 2bsy s HIS 105 N 1.13 2.30 -0.03 3.97 3.76 0.31 -0.55 115.29 126.18 2bsy s HIS 105 Ca -0.05 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 54.46 2bsy s HIS 105 Cb -0.14 -1.41 0.02 0.00 1.11 0.00 0.00 32.58 32.15 2bsy s HIS 105 CO -0.03 0.07 -0.05 -1.17 -0.85 0.00 0.00 174.74 172.71 2bsy s LEU 106 N -1.01 1.48 0.15 0.89 2.96 -0.26 -1.44 118.68 121.45 2bsy s LEU 106 Ca 0.11 -0.12 -0.22 0.00 -0.22 0.00 0.00 54.13 53.68 2bsy s LEU 106 Cb -0.10 -0.42 0.06 0.00 0.50 0.00 0.00 46.19 46.23 2bsy s LEU 106 CO 0.01 -0.02 0.56 0.00 -1.32 0.00 0.00 176.35 175.57 2bsy s ALA 107 N 0.68 -1.46 0.28 5.97 0.00 -0.76 -1.04 121.76 125.44 2bsy s ALA 107 Ca -0.09 0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.31 2bsy s ALA 107 Cb -0.12 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 2bsy s ALA 107 CO 0.00 -0.74 0.38 0.00 0.00 0.00 0.00 175.76 175.40 2bsy s ALA 108 N -3.75 4.01 -0.05 0.00 0.00 -1.26 -0.15 121.76 120.57 2bsy s ALA 108 Ca 0.01 -1.37 -0.17 0.00 0.00 0.00 0.00 51.96 50.44 2bsy s ALA 108 Cb -0.00 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.52 2bsy s ALA 108 CO -0.13 0.12 0.38 -0.59 0.00 0.00 0.00 175.76 175.54 2bsy s PHE 109 N -2.09 -0.30 0.23 0.00 -0.12 -0.59 -0.70 117.98 114.41 2bsy s PHE 109 Ca 0.39 0.57 -0.30 0.00 -0.05 0.00 0.00 56.93 57.54 2bsy s PHE 109 Cb -0.09 0.15 -0.09 0.00 -0.63 0.00 0.00 43.02 42.36 2bsy s PHE 109 CO 0.29 -0.38 0.98 1.03 -0.05 0.00 0.00 175.22 177.10 2bsy s ARG 110 N -0.95 4.79 0.17 1.99 0.52 -1.26 -1.00 118.95 123.21 2bsy s ARG 110 Ca -0.10 1.56 0.01 0.00 -0.52 0.00 0.00 55.73 56.68 2bsy s ARG 110 Cb -0.04 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 2bsy s ARG 110 CO 0.04 0.41 0.02 1.52 0.02 0.00 0.00 175.30 177.32 2bsy s TYR 111 N -1.03 1.13 0.16 -0.53 -0.85 -1.19 -1.58 117.35 113.46 2bsy s TYR 111 Ca 0.43 -1.09 0.05 0.00 -0.52 0.00 0.00 57.07 55.93 2bsy s TYR 111 Cb -0.27 -0.64 -0.05 0.00 0.38 0.00 0.00 41.96 41.38 2bsy s TYR 111 CO 0.34 -0.31 -0.10 0.00 -1.52 0.00 0.00 175.55 173.97 2bsy s ALA 112 N -3.77 1.57 -0.08 9.51 0.00 -0.88 -4.91 121.76 123.19 2bsy s ALA 112 Ca 0.25 -1.55 0.01 0.00 0.00 0.00 0.00 51.96 50.67 2bsy s ALA 112 Cb 0.07 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.29 2bsy s ALA 112 CO 0.04 -0.09 -0.08 0.99 0.00 0.00 0.00 175.76 176.62 2bsy s THR 113 N -3.29 0.91 0.47 0.00 2.01 -1.26 -4.17 115.64 110.32 2bsy s THR 113 Ca 0.19 -0.28 -0.12 0.00 0.31 0.00 0.00 61.69 61.78 2bsy s THR 113 Cb 0.02 -0.91 -0.06 0.00 0.01 0.00 0.00 72.50 71.56 2bsy s THR 113 CO 0.02 0.33 0.87 -2.16 -0.69 0.00 0.00 174.62 173.00 2bsy s PRO 114 N 1.24 3.79 -0.25 4.92 0.04 -1.26 -5.07 135.00 138.40 2bsy s PRO 114 Ca -0.05 0.64 -0.10 0.00 0.04 0.00 0.00 61.00 61.54 2bsy s PRO 114 Cb -0.14 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 2bsy s PRO 114 CO -0.02 -0.19 0.15 -1.14 0.04 0.00 0.00 177.00 175.84 2bsy s GLN 115 N -4.16 3.96 0.00 4.56 0.74 -1.26 -4.94 119.66 118.56 2bsy s GLN 115 Ca 0.54 -0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.63 2bsy s GLN 115 Cb -0.10 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.47 2bsy s GLN 115 CO 0.35 -0.05 0.00 -1.33 -0.55 0.00 0.00 175.29 173.71 2bsy n MET 116 N 4.63 0.00 -0.54 1.67 2.81 -1.26 -5.15 117.12 119.29 2bsy n MET 116 Ca -0.15 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.57 2bsy n MET 116 Cb 0.52 0.00 0.15 0.00 -0.71 0.00 0.00 33.22 33.18 2bsy n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2bsy n GLY 121 N 5.00 -2.81 0.14 3.03 0.00 -1.26 -5.10 105.19 104.19 2bsy n GLY 121 Ca 0.00 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.70 2bsy n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bsy h PRO 122 N 0.00 0.00 -5.21 1.61 0.13 -1.95 -3.49 132.00 123.10 2bsy h PRO 122 Ca -0.24 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.29 2bsy h PRO 122 Cb 0.73 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.72 2bsy h PRO 122 CO 0.15 0.00 -0.51 0.42 -0.23 0.00 0.00 178.00 177.83 2bsy s ILE 123 N -3.24 5.28 -0.01 -3.56 1.01 -1.26 -0.45 121.20 118.96 2bsy s ILE 123 Ca 0.07 0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.90 2bsy s ILE 123 Cb 0.10 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 2bsy s ILE 123 CO 0.52 0.41 -0.09 0.20 0.00 0.00 0.00 174.94 175.98 2bsy s ASN 124 N 0.60 4.46 0.74 3.58 -0.87 -0.04 -4.99 114.94 118.43 2bsy s ASN 124 Ca 0.07 -0.16 -0.15 0.00 -1.57 0.00 0.00 52.86 51.05 2bsy s ASN 124 Cb -0.12 -1.01 0.05 0.00 -0.02 0.00 0.00 41.25 40.14 2bsy s ASN 124 CO 0.00 0.30 1.24 -1.38 -2.57 0.00 0.00 177.10 174.70 2bsy s HIS 125 N -0.92 1.92 0.45 2.20 -3.43 -1.26 -3.28 115.29 110.96 2bsy s HIS 125 Ca 0.15 1.60 -0.24 0.00 -0.80 0.00 0.00 55.06 55.77 2bsy s HIS 125 Cb -0.11 -3.56 -0.09 0.00 -1.43 0.00 0.00 32.58 27.39 2bsy s HIS 125 CO 0.05 -2.87 1.11 -2.30 -2.00 0.00 0.00 174.74 168.73 2bsy n PRO 126 N -2.76 1.50 0.11 -0.38 -0.02 -1.26 -4.64 135.00 127.56 2bsy n PRO 126 Ca 0.14 0.54 -0.04 0.00 -2.02 0.00 0.00 63.50 62.13 2bsy n PRO 126 Cb 0.50 -2.20 0.06 0.00 -0.02 0.00 0.00 33.50 31.84 2bsy n PRO 126 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2bsy h GLN 127 N 1.58 0.01 -5.18 -0.52 1.08 -1.92 -3.45 115.11 106.71 2bsy h GLN 127 Ca -0.46 -0.01 -0.37 0.00 -1.45 0.00 0.00 58.65 56.35 2bsy h GLN 127 Cb 1.32 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.56 2bsy h GLN 127 CO 0.57 0.77 -0.75 0.71 -0.95 0.00 0.00 178.83 179.17 2bsy s TYR 128 N -3.29 1.17 -0.21 2.96 1.51 -1.26 -5.07 117.35 113.17 2bsy s TYR 128 Ca -0.01 -0.55 -0.41 0.00 -1.01 0.00 0.00 57.07 55.09 2bsy s TYR 128 Cb 0.12 -0.64 -0.17 0.00 -0.11 0.00 0.00 41.96 41.15 2bsy s TYR 128 CO 0.79 0.05 1.54 -2.30 -1.11 0.00 0.00 175.55 174.52 2bsy n PRO 129 N 0.86 0.77 -0.12 -1.71 -0.02 -1.26 -0.59 135.00 132.93 2bsy n PRO 129 Ca -0.18 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2bsy n PRO 129 Cb 0.56 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 2bsy n PRO 129 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bsy n GLY 130 N 3.45 1.85 3.66 -1.23 0.00 -1.26 -4.78 105.19 106.88 2bsy n GLY 130 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 2bsy n GLY 130 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bsy n ASP 131 N 0.00 2.25 -0.03 1.61 8.00 0.25 -4.44 116.55 124.18 2bsy n ASP 131 Ca 0.00 1.18 -0.16 0.00 0.71 0.00 0.00 54.79 56.52 2bsy n ASP 131 Cb 0.00 -1.43 -0.13 0.00 -0.02 0.00 0.00 41.12 39.54 2bsy n ASP 131 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2bsy h VAL 132 N 2.28 1.68 -3.23 2.53 2.07 -1.91 -3.45 116.25 116.21 2bsy h VAL 132 Ca -0.44 -2.28 -0.57 0.00 0.82 0.00 0.00 66.70 64.23 2bsy h VAL 132 Cb 1.30 3.20 -0.04 0.00 -1.52 0.00 0.00 31.29 34.23 2bsy h VAL 132 CO 0.61 0.61 -0.24 -0.83 0.02 0.00 0.00 177.57 177.75 2bsy s GLY 133 N -4.17 2.28 -0.22 2.17 0.00 -1.26 -4.69 107.32 101.43 2bsy s GLY 133 Ca -0.17 -0.43 -0.08 0.00 0.00 0.00 0.00 44.72 44.04 2bsy s GLY 133 CO 0.73 -0.29 0.08 1.08 0.00 0.00 0.00 173.10 174.71 2bsy s LEU 134 N -2.49 3.69 0.38 0.66 1.02 -0.08 -4.40 118.68 117.46 2bsy s LEU 134 Ca 0.41 -0.05 -0.26 0.00 0.02 0.00 0.00 54.13 54.24 2bsy s LEU 134 Cb -0.12 -1.97 -0.09 0.00 0.02 0.00 0.00 46.19 44.03 2bsy s LEU 134 CO 0.22 0.06 1.18 -1.81 0.02 0.00 0.00 176.35 176.01 2bsy s ASP 135 N 1.09 6.61 -0.14 2.29 1.01 -1.21 -0.29 116.67 126.03 2bsy s ASP 135 Ca 0.05 2.38 -0.00 0.00 0.71 0.00 0.00 52.55 55.68 2bsy s ASP 135 Cb -0.14 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.16 2bsy s ASP 135 CO 0.03 -0.62 -0.13 -0.69 0.21 0.00 0.00 175.17 173.98 2bsy s VAL 136 N -1.36 3.03 0.18 -1.27 1.01 -0.24 -0.86 120.40 120.88 2bsy s VAL 136 Ca 0.55 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.63 2bsy s VAL 136 Cb -0.32 -2.28 -0.08 0.00 0.00 0.00 0.00 36.38 33.70 2bsy s VAL 136 CO 0.40 0.52 0.76 -0.94 0.00 0.00 0.00 175.10 175.84 2bsy s SER 137 N 0.48 7.28 0.13 3.32 1.04 0.40 -1.53 113.70 124.82 2bsy s SER 137 Ca -0.09 1.57 -0.31 0.00 0.48 0.00 0.00 55.95 57.60 2bsy s SER 137 Cb -0.16 -2.47 -0.09 0.00 0.10 0.00 0.00 66.02 63.40 2bsy s SER 137 CO 0.04 0.15 1.52 -0.76 0.98 0.00 0.00 173.24 175.18 2bsy s LEU 138 N -1.42 4.37 0.03 2.42 1.43 0.21 -4.80 118.68 120.92 2bsy s LEU 138 Ca 0.38 2.49 0.24 0.00 -1.03 0.00 0.00 54.13 56.21 2bsy s LEU 138 Cb -0.21 -3.59 0.99 0.00 0.03 0.00 0.00 46.19 43.41 2bsy s LEU 138 CO 0.24 -0.78 1.75 -0.81 0.23 0.00 0.00 176.35 176.99 2bsy n PRO 139 N 4.27 0.03 -3.55 1.29 -0.04 -1.26 0.11 135.00 135.85 2bsy n PRO 139 Ca 0.13 0.12 -0.12 0.00 -0.04 0.00 0.00 63.50 63.60 2bsy n PRO 139 Cb 0.40 -1.54 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 2bsy n PRO 139 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2bsy s LYS 140 N -3.02 1.12 0.32 0.54 -2.85 -1.26 -4.83 119.74 109.75 2bsy s LYS 140 Ca 0.11 -0.50 -0.29 0.00 -1.00 0.00 0.00 55.97 54.29 2bsy s LYS 140 Cb 0.15 0.51 -0.10 0.00 -2.06 0.00 0.00 37.83 36.32 2bsy s LYS 140 CO 0.44 -0.45 1.36 -0.51 0.10 0.00 0.00 175.35 176.29 2bsy s ASP 141 N -2.55 6.70 0.02 0.03 1.11 -1.26 -3.44 116.67 117.28 2bsy s ASP 141 Ca 0.00 2.72 0.04 0.00 0.18 0.00 0.00 52.55 55.49 2bsy s ASP 141 Cb 0.00 -2.64 -0.02 0.00 1.07 0.00 0.00 42.92 41.33 2bsy s ASP 141 CO -0.09 -0.61 -0.12 -0.76 1.18 0.00 0.00 175.17 174.77 2bsy s LEU 142 N -1.48 2.12 -0.27 1.23 1.43 0.10 -4.88 118.68 116.94 2bsy s LEU 142 Ca 0.52 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 2bsy s LEU 142 Cb -0.41 -0.55 0.02 0.00 0.03 0.00 0.00 46.19 45.28 2bsy s LEU 142 CO 0.52 0.05 0.00 0.00 0.23 0.00 0.00 176.35 177.15 2bsy s ALA 143 N -0.67 2.87 -0.45 4.21 0.00 -1.26 -0.98 121.76 125.47 2bsy s ALA 143 Ca 0.02 -1.47 -0.13 0.00 0.00 0.00 0.00 51.96 50.37 2bsy s ALA 143 Cb -0.07 -1.90 0.07 0.00 0.00 0.00 0.00 23.12 21.22 2bsy s ALA 143 CO 0.01 -0.88 0.33 -0.51 0.00 0.00 0.00 175.76 174.71 2bsy s LEU 144 N 1.40 5.39 0.64 0.00 1.02 0.27 -4.97 118.68 122.43 2bsy s LEU 144 Ca 0.01 -1.35 -0.11 0.00 0.02 0.00 0.00 54.13 52.70 2bsy s LEU 144 Cb -0.17 -2.11 -0.02 0.00 0.02 0.00 0.00 46.19 43.91 2bsy s LEU 144 CO -0.01 -0.58 1.04 -0.36 0.02 0.00 0.00 176.35 176.46 2bsy s PHE 145 N 1.56 3.51 0.32 0.29 0.40 -1.26 -1.21 117.98 121.59 2bsy s PHE 145 Ca 0.04 1.27 -0.29 0.00 -0.60 0.00 0.00 56.93 57.34 2bsy s PHE 145 Cb -0.23 -2.80 -0.11 0.00 0.51 0.00 0.00 43.02 40.39 2bsy s PHE 145 CO 0.05 -0.84 1.53 -2.14 0.70 0.00 0.00 175.22 174.52 2bsy s PRO 146 N -5.19 4.14 -1.45 0.24 0.02 -1.26 -2.60 135.00 128.90 2bsy s PRO 146 Ca 0.56 2.53 -0.08 0.00 0.02 0.00 0.00 61.00 64.03 2bsy s PRO 146 Cb -0.11 -3.02 0.04 0.00 0.02 0.00 0.00 34.50 31.43 2bsy s PRO 146 CO 0.54 -0.56 0.72 0.72 -0.33 0.00 0.00 177.00 178.09 2bsy n HIS 147 N 1.61 -2.10 -4.36 6.54 8.25 0.12 -4.99 115.22 120.29 2bsy n HIS 147 Ca 0.05 0.64 -0.21 0.00 -0.26 0.00 0.00 57.72 57.94 2bsy n HIS 147 Cb 0.38 -4.04 -0.11 0.00 1.12 0.00 0.00 29.99 27.35 2bsy n HIS 147 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2bsy s GLN 148 N -6.04 1.34 -0.09 -0.41 -1.52 -1.07 -4.96 119.66 106.92 2bsy s GLN 148 Ca 0.43 -1.50 -0.01 0.00 -1.95 0.00 0.00 55.36 52.34 2bsy s GLN 148 Cb -0.21 -1.35 -0.03 0.00 -0.22 0.00 0.00 33.01 31.20 2bsy s GLN 148 CO 0.54 0.26 -0.05 0.99 -0.25 0.00 0.00 175.29 176.78 2bsy s THR 149 N -2.30 3.88 -0.04 -0.19 2.01 -1.26 -1.50 115.64 116.24 2bsy s THR 149 Ca 0.19 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.82 2bsy s THR 149 Cb -0.05 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.85 2bsy s THR 149 CO 0.08 0.58 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.77 2bsy s VAL 150 N -0.64 1.14 0.16 3.82 1.01 -0.08 -4.97 120.40 120.84 2bsy s VAL 150 Ca 0.10 -0.55 0.11 0.00 0.00 0.00 0.00 61.98 61.64 2bsy s VAL 150 Cb -0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2bsy s VAL 150 CO 0.02 0.34 -0.23 -0.44 0.00 0.00 0.00 175.10 174.79 2bsy s SER 151 N 0.18 3.52 0.01 3.32 0.01 -1.26 -0.86 113.70 118.63 2bsy s SER 151 Ca -0.05 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 56.46 2bsy s SER 151 Cb -0.11 -0.32 -0.01 0.00 0.21 0.00 0.00 66.02 65.79 2bsy s SER 151 CO 0.02 0.15 -0.03 0.68 0.41 0.00 0.00 173.24 174.47 2bsy s VAL 152 N -1.38 0.14 -0.14 3.43 -7.23 -0.42 -4.96 120.40 109.85 2bsy s VAL 152 Ca 0.18 -0.54 -0.06 0.00 -1.81 0.00 0.00 61.98 59.74 2bsy s VAL 152 Cb -0.09 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.59 2bsy s VAL 152 CO 0.09 -0.26 0.09 -0.89 -0.31 0.00 0.00 175.10 173.83 2bsy s THR 153 N -0.82 5.11 -0.29 5.32 2.01 -1.26 -0.08 115.64 125.62 2bsy s THR 153 Ca -0.08 0.06 -0.08 0.00 0.31 0.00 0.00 61.69 61.90 2bsy s THR 153 Cb -0.06 -3.24 -0.00 0.00 0.01 0.00 0.00 72.50 69.21 2bsy s THR 153 CO -0.00 0.56 0.11 -0.76 -0.69 0.00 0.00 174.62 173.84 2bsy s LEU 154 N -0.53 3.89 -0.07 4.42 1.43 -0.22 -4.99 118.68 122.61 2bsy s LEU 154 Ca 0.11 -0.54 0.08 0.00 -1.03 0.00 0.00 54.13 52.76 2bsy s LEU 154 Cb -0.12 -1.94 -0.12 0.00 0.03 0.00 0.00 46.19 44.04 2bsy s LEU 154 CO 0.02 -0.17 0.07 0.41 0.23 0.00 0.00 176.35 176.92 2bsy n THR 155 N 4.93 0.47 -2.32 5.49 -1.04 -1.26 -1.24 114.28 119.31 2bsy n THR 155 Ca -0.14 -0.34 -0.43 0.00 -2.04 0.00 0.00 64.05 61.10 2bsy n THR 155 Cb 0.49 -0.52 -0.02 0.00 -1.82 0.00 0.00 70.33 68.45 2bsy n THR 155 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2bsy s VAL 156 N -2.32 4.05 0.40 12.58 1.01 -1.26 -4.60 120.40 130.26 2bsy s VAL 156 Ca -0.04 1.32 -0.26 0.00 0.00 0.00 0.00 61.98 63.00 2bsy s VAL 156 Cb 0.03 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.46 2bsy s VAL 156 CO 0.37 -0.07 1.34 -2.65 0.00 0.00 0.00 175.10 174.09 2bsy n PRO 157 N 6.20 2.16 -1.69 2.72 -0.02 -1.26 -5.00 135.00 138.11 2bsy n PRO 157 Ca 0.14 0.76 -0.30 0.00 -2.02 0.00 0.00 63.50 62.08 2bsy n PRO 157 Cb 0.44 -2.46 0.09 0.00 -0.02 0.00 0.00 33.50 31.55 2bsy n PRO 157 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2bsy s PRO 158 N -2.16 2.10 0.37 0.52 0.04 -1.26 -4.98 135.00 129.62 2bsy s PRO 158 Ca 0.58 0.45 -0.26 0.00 0.04 0.00 0.00 61.00 61.81 2bsy s PRO 158 Cb -0.51 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 31.98 2bsy s PRO 158 CO 0.60 -1.57 1.07 -2.30 0.04 0.00 0.00 177.00 174.84 2bsy n PRO 159 N -3.36 1.52 -3.31 0.56 -0.02 -1.26 -4.95 135.00 124.18 2bsy n PRO 159 Ca 0.07 0.54 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 2bsy n PRO 159 Cb 0.58 -2.05 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 2bsy n PRO 159 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2bsy s SER 160 N -0.59 6.74 -0.19 2.55 0.15 -1.26 -5.00 113.70 116.10 2bsy s SER 160 Ca 0.60 0.88 0.01 0.00 0.70 0.00 0.00 55.95 58.15 2bsy s SER 160 Cb -0.60 -2.30 0.02 0.00 -1.71 0.00 0.00 66.02 61.44 2bsy s SER 160 CO 0.59 0.04 -0.19 -0.63 1.20 0.00 0.00 173.24 174.25 2bsy s ILE 161 N 0.38 2.06 0.20 6.45 1.01 -1.26 -5.09 121.20 124.94 2bsy s ILE 161 Ca 0.27 -1.00 -0.32 0.00 0.00 0.00 0.00 60.65 59.59 2bsy s ILE 161 Cb -0.16 -1.89 -0.15 0.00 0.01 0.00 0.00 42.46 40.27 2bsy s ILE 161 CO 0.12 0.48 1.27 -2.65 0.00 0.00 0.00 174.94 174.15 2bsy n PRO 162 N 4.60 1.52 -1.13 2.79 -0.02 -1.26 -1.82 135.00 139.68 2bsy n PRO 162 Ca -0.20 0.54 -0.05 0.00 -2.02 0.00 0.00 63.50 61.78 2bsy n PRO 162 Cb 0.49 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 2bsy n PRO 162 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2bsy n HIS 163 N 1.69 0.00 -4.45 6.00 8.25 -1.26 -4.99 115.22 120.46 2bsy n HIS 163 Ca 0.14 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.37 2bsy n HIS 163 Cb 0.27 -1.88 -0.10 0.00 1.12 0.00 0.00 29.99 29.40 2bsy n HIS 163 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2bsy s HIS 164 N -1.62 2.12 -0.10 4.41 3.76 -0.76 -0.73 115.29 122.38 2bsy s HIS 164 Ca 0.00 -0.49 -0.01 0.00 -0.15 0.00 0.00 55.06 54.42 2bsy s HIS 164 Cb 0.00 -1.05 0.03 0.00 1.11 0.00 0.00 32.58 32.67 2bsy s HIS 164 CO 0.00 0.53 -0.05 1.03 -0.85 0.00 0.00 174.74 175.40 2bsy s ARG 165 N -3.60 1.26 0.23 1.40 1.81 0.56 -4.69 118.95 115.92 2bsy s ARG 165 Ca 0.29 -0.15 -0.30 0.00 -1.72 0.00 0.00 55.73 53.85 2bsy s ARG 165 Cb -0.01 -1.40 -0.09 0.00 -0.45 0.00 0.00 34.95 33.00 2bsy s ARG 165 CO 0.13 -0.27 1.25 -1.25 -0.68 0.00 0.00 175.30 174.48 2bsy s PRO 166 N 1.75 4.45 0.03 3.54 0.04 -1.26 -1.88 135.00 141.66 2bsy s PRO 166 Ca 0.04 2.00 -0.00 0.00 0.04 0.00 0.00 61.00 63.08 2bsy s PRO 166 Cb -0.13 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 2bsy s PRO 166 CO -0.07 -0.13 -0.03 0.99 0.04 0.00 0.00 177.00 177.79 2bsy s THR 167 N -0.31 0.17 -0.11 1.26 2.01 0.05 -1.08 115.64 117.63 2bsy s THR 167 Ca 0.53 -1.26 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 2bsy s THR 167 Cb -0.35 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 2bsy s THR 167 CO 0.41 -0.68 -0.09 -0.63 -0.69 0.00 0.00 174.62 172.94 2bsy s ILE 168 N -2.38 3.49 0.18 1.82 -1.09 0.57 -0.87 121.20 122.93 2bsy s ILE 168 Ca -0.07 -0.52 0.05 0.00 -2.23 0.00 0.00 60.65 57.87 2bsy s ILE 168 Cb -0.03 -2.47 -0.05 0.00 -1.58 0.00 0.00 42.46 38.33 2bsy s ILE 168 CO -0.04 0.54 -0.08 -0.36 -1.23 0.00 0.00 174.94 173.77 2bsy s PHE 169 N -0.05 1.43 0.79 3.97 0.40 -0.34 -1.69 117.98 122.50 2bsy s PHE 169 Ca -0.01 -0.78 -0.10 0.00 -0.60 0.00 0.00 56.93 55.44 2bsy s PHE 169 Cb -0.14 -0.76 0.09 0.00 0.51 0.00 0.00 43.02 42.73 2bsy s PHE 169 CO 0.03 0.09 1.14 0.20 0.70 0.00 0.00 175.22 177.38 2bsy s GLY 170 N -3.24 1.66 0.17 4.36 0.00 -1.26 -0.42 107.32 108.59 2bsy s GLY 170 Ca 0.21 -0.87 0.08 0.00 0.00 0.00 0.00 44.72 44.14 2bsy s GLY 170 CO 0.04 -0.36 -0.04 0.50 0.00 0.00 0.00 173.10 173.24 2bsy s ARG 171 N -5.49 2.27 0.23 2.90 0.52 -1.26 -4.68 118.95 113.44 2bsy s ARG 171 Ca 0.63 -1.15 -0.04 0.00 -0.52 0.00 0.00 55.73 54.66 2bsy s ARG 171 Cb -0.10 -2.29 0.23 0.00 0.52 0.00 0.00 34.95 33.31 2bsy s ARG 171 CO 0.48 0.45 1.68 0.77 0.02 0.00 0.00 175.30 178.70 2bsy h SER 172 N 2.87 0.81 -0.09 0.23 0.02 -1.97 -2.48 113.55 112.94 2bsy h SER 172 Ca -0.47 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.24 2bsy h SER 172 Cb 1.20 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2bsy h SER 172 CO 0.56 0.94 0.02 1.23 -1.14 0.00 0.00 176.83 178.44 2bsy h GLY 173 N 0.97 0.10 1.22 -3.77 0.00 -1.97 0.11 103.07 99.73 2bsy h GLY 173 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 2bsy h GLY 173 CO 0.04 0.01 0.10 1.41 0.00 0.00 0.00 176.54 178.09 2bsy h LEU 174 N 0.06 0.91 -0.95 3.11 3.38 -1.84 -2.76 115.31 117.21 2bsy h LEU 174 Ca 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2bsy h LEU 174 Cb 0.03 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2bsy h LEU 174 CO -0.05 0.91 0.48 0.00 0.09 0.00 0.00 178.44 179.87 2bsy h ALA 175 N 1.20 1.20 0.00 1.53 0.00 -0.89 -0.86 119.26 121.43 2bsy h ALA 175 Ca 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2bsy h ALA 175 Cb 0.39 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2bsy h ALA 175 CO 0.01 0.65 -0.11 0.52 0.00 0.00 0.00 179.25 180.31 2bsy h MET 176 N 1.22 0.00 -0.04 0.00 2.86 -0.53 -1.18 114.93 117.26 2bsy h MET 176 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2bsy h MET 176 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2bsy h MET 176 CO -0.05 0.11 0.00 1.04 1.06 0.00 0.00 176.91 179.07 2bsy n GLN 177 N -3.99 1.22 -0.38 1.72 6.02 -0.45 -4.73 117.38 116.80 2bsy n GLN 177 Ca -0.02 -0.34 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 2bsy n GLN 177 Cb 0.20 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.10 2bsy n GLN 177 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bsy n GLY 178 N 0.93 0.76 3.39 1.08 0.00 -0.45 -4.71 105.19 106.20 2bsy n GLY 178 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2bsy n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bsy s ILE 179 N -2.30 4.43 -0.03 -0.61 -1.09 -0.51 -0.71 121.20 120.38 2bsy s ILE 179 Ca 0.00 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 2bsy s ILE 179 Cb 0.00 -3.36 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 2bsy s ILE 179 CO 0.00 -0.06 0.00 -0.76 -1.23 0.00 0.00 174.94 172.90 2bsy s LEU 180 N 1.56 3.54 -0.14 2.97 1.43 -0.64 -2.62 118.68 124.78 2bsy s LEU 180 Ca 0.03 0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 53.10 2bsy s LEU 180 Cb -0.18 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2bsy s LEU 180 CO 0.06 0.31 0.14 -0.69 0.23 0.00 0.00 176.35 176.40 2bsy s VAL 181 N -1.02 5.48 -0.34 -1.59 1.01 -1.26 -0.86 120.40 121.81 2bsy s VAL 181 Ca 0.18 0.21 -0.25 0.00 0.00 0.00 0.00 61.98 62.11 2bsy s VAL 181 Cb -0.11 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2bsy s VAL 181 CO 0.08 0.57 0.88 -0.75 0.00 0.00 0.00 175.10 175.87 2bsy s LYS 182 N -0.62 3.89 0.55 2.72 2.20 -0.75 -4.55 119.74 123.18 2bsy s LYS 182 Ca 0.13 0.59 -0.21 0.00 -0.36 0.00 0.00 55.97 56.11 2bsy s LYS 182 Cb -0.12 -3.78 -0.05 0.00 -1.51 0.00 0.00 37.83 32.38 2bsy s LYS 182 CO 0.02 -0.85 1.36 -2.14 -0.36 0.00 0.00 175.35 173.39 2bsy s PRO 183 N 3.28 3.09 0.06 4.03 0.02 -1.26 -4.64 135.00 139.58 2bsy s PRO 183 Ca 0.36 2.24 -0.25 0.00 0.02 0.00 0.00 61.00 63.37 2bsy s PRO 183 Cb -0.13 -2.23 0.06 0.00 0.02 0.00 0.00 34.50 32.23 2bsy s PRO 183 CO 0.16 -1.23 0.60 0.00 -0.33 0.00 0.00 177.00 176.20 2bsy s ARG 185 N -2.59 4.37 -0.74 0.00 1.81 -1.26 -0.32 118.95 120.23 2bsy s ARG 185 Ca -0.04 1.59 -0.12 0.00 -1.72 0.00 0.00 55.73 55.44 2bsy s ARG 185 Cb -0.01 -2.80 0.19 0.00 -0.45 0.00 0.00 34.95 31.89 2bsy s ARG 185 CO -0.03 0.02 0.65 -0.46 -0.68 0.00 0.00 175.30 174.81 2bsy s TRP 186 N -1.48 3.62 0.53 -0.53 -0.11 -0.24 -4.84 118.94 115.90 2bsy s TRP 186 Ca 0.52 -2.03 -0.05 0.00 1.22 0.00 0.00 56.10 55.76 2bsy s TRP 186 Cb -0.25 -3.69 -0.01 0.00 -1.50 0.00 0.00 33.47 28.02 2bsy s TRP 186 CO 0.32 -0.97 0.83 1.03 -4.62 0.00 0.00 176.95 173.54 2bsy s ARG 187 N 0.37 3.17 0.16 5.86 0.52 -1.25 -4.55 118.95 123.22 2bsy s ARG 187 Ca 0.15 0.02 -0.34 0.00 -0.52 0.00 0.00 55.73 55.04 2bsy s ARG 187 Cb -0.15 -2.34 -0.14 0.00 0.52 0.00 0.00 34.95 32.83 2bsy s ARG 187 CO -0.06 -0.47 1.49 2.89 0.02 0.00 0.00 175.30 179.17 2bsy n ARG 188 N -2.41 1.92 0.00 3.54 0.00 -1.26 -1.82 116.66 116.63 2bsy n ARG 188 Ca 0.03 0.69 0.00 0.00 -0.00 0.00 0.00 57.85 58.57 2bsy n ARG 188 Cb 0.57 -2.41 0.00 0.00 -0.00 0.00 0.00 32.46 30.62 2bsy n ARG 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2bsy n GLY 189 N 3.00 2.41 0.00 2.89 0.00 -1.26 -5.02 105.19 107.21 2bsy n GLY 189 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2bsy n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bsy n GLY 190 N -0.61 2.32 2.98 -0.02 0.00 -0.76 -4.90 105.19 104.20 2bsy n GLY 190 Ca 0.00 -2.11 -0.18 0.00 0.00 0.00 0.00 46.02 43.73 2bsy n GLY 190 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bsy s VAL 191 N -1.79 0.57 -0.37 1.61 0.11 -0.37 -3.95 120.40 116.20 2bsy s VAL 191 Ca 0.00 -0.28 -0.16 0.00 -2.93 0.00 0.00 61.98 58.61 2bsy s VAL 191 Cb 0.00 -0.50 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 2bsy s VAL 191 CO 0.00 0.17 0.36 -1.81 -3.33 0.00 0.00 175.10 170.50 2bsy s ASP 192 N -0.00 6.16 -0.26 3.54 1.01 -1.26 -1.06 116.67 124.80 2bsy s ASP 192 Ca 0.00 -0.48 -0.12 0.00 0.71 0.00 0.00 52.55 52.66 2bsy s ASP 192 Cb -0.05 -2.19 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 2bsy s ASP 192 CO -0.00 -0.42 0.26 -0.69 0.21 0.00 0.00 175.17 174.53 2bsy s VAL 193 N 1.98 5.27 -0.17 -1.27 1.01 0.88 -4.91 120.40 123.19 2bsy s VAL 193 Ca 0.10 0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 2bsy s VAL 193 Cb -0.17 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2bsy s VAL 193 CO 0.12 0.25 0.02 -0.44 0.00 0.00 0.00 175.10 175.05 2bsy s SER 194 N 1.48 5.28 -0.13 3.32 0.01 -1.26 -1.29 113.70 121.10 2bsy s SER 194 Ca 0.11 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.37 2bsy s SER 194 Cb -0.15 -1.89 -0.01 0.00 0.21 0.00 0.00 66.02 64.18 2bsy s SER 194 CO 0.09 0.17 -0.16 -0.76 0.41 0.00 0.00 173.24 172.99 2bsy s LEU 195 N 0.37 2.51 -0.08 2.44 2.01 -0.04 -1.81 118.68 124.09 2bsy s LEU 195 Ca 0.00 -0.42 0.03 0.00 0.01 0.00 0.00 54.13 53.75 2bsy s LEU 195 Cb -0.13 -1.56 -0.02 0.00 0.01 0.00 0.00 46.19 44.50 2bsy s LEU 195 CO 0.01 0.13 -0.18 -0.89 1.01 0.00 0.00 176.35 176.43 2bsy s THR 196 N 0.53 2.65 -0.44 5.49 2.01 -0.04 -0.90 115.64 124.93 2bsy s THR 196 Ca -0.10 -0.84 -0.14 0.00 0.31 0.00 0.00 61.69 60.92 2bsy s THR 196 Cb -0.16 -2.04 0.06 0.00 0.01 0.00 0.00 72.50 70.37 2bsy s THR 196 CO 0.04 0.56 0.33 0.21 -0.69 0.00 0.00 174.62 175.07 2bsy s ASN 197 N -0.14 6.00 0.00 3.53 2.47 -0.56 -1.61 114.94 124.62 2bsy s ASN 197 Ca -0.02 -1.23 0.23 0.00 0.42 0.00 0.00 52.86 52.26 2bsy s ASN 197 Cb -0.14 -2.12 0.86 0.00 -1.45 0.00 0.00 41.25 38.40 2bsy s ASN 197 CO 0.04 -0.56 1.62 0.49 -3.72 0.00 0.00 177.10 174.97 2bsy n PHE 198 N 5.12 0.14 -2.49 0.43 3.01 0.11 0.13 117.46 123.91 2bsy n PHE 198 Ca -0.12 -0.07 -0.24 0.00 1.01 0.00 0.00 57.45 58.03 2bsy n PHE 198 Cb 0.44 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 40.03 2bsy n PHE 198 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2bsy s SER 199 N -1.71 4.24 0.00 4.37 1.04 -1.26 -3.83 113.70 116.56 2bsy s SER 199 Ca 0.34 -0.25 0.21 0.00 0.48 0.00 0.00 55.95 56.74 2bsy s SER 199 Cb 0.19 -0.12 0.53 0.00 0.10 0.00 0.00 66.02 66.72 2bsy s SER 199 CO 0.29 -1.94 1.45 -0.90 0.98 0.00 0.00 173.24 173.12 2bsy n ASP 200 N -2.93 2.87 -4.58 7.02 5.75 -1.23 -3.63 116.55 119.80 2bsy n ASP 200 Ca 0.15 -1.92 -0.34 0.00 -0.01 0.00 0.00 54.79 52.67 2bsy n ASP 200 Cb 0.60 -0.24 -0.11 0.00 -1.03 0.00 0.00 41.12 40.35 2bsy n ASP 200 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2bsy s GLN 201 N -1.53 2.97 0.08 0.11 0.74 -1.26 -4.84 119.66 115.93 2bsy s GLN 201 Ca 0.37 -0.52 -0.31 0.00 0.05 0.00 0.00 55.36 54.95 2bsy s GLN 201 Cb 0.21 -2.69 -0.07 0.00 1.10 0.00 0.00 33.01 31.56 2bsy s GLN 201 CO 0.29 0.59 1.35 0.99 -0.55 0.00 0.00 175.29 177.96 2bsy s THR 202 N -0.60 3.56 -0.21 -0.34 2.01 -1.26 -4.37 115.64 114.42 2bsy s THR 202 Ca 0.09 1.08 -0.05 0.00 0.31 0.00 0.00 61.69 63.13 2bsy s THR 202 Cb -0.12 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 2bsy s THR 202 CO 0.02 0.06 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.31 2bsy s VAL 203 N 1.40 3.71 -0.35 3.82 1.01 -0.35 -4.95 120.40 124.69 2bsy s VAL 203 Ca 0.63 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 2bsy s VAL 203 Cb -0.34 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 2bsy s VAL 203 CO 0.29 0.42 0.32 -0.36 0.00 0.00 0.00 175.10 175.76 2bsy s PHE 204 N 1.27 3.22 -0.23 5.22 0.40 -1.26 -0.56 117.98 126.04 2bsy s PHE 204 Ca 0.04 -0.14 -0.06 0.00 -0.60 0.00 0.00 56.93 56.17 2bsy s PHE 204 Cb -0.15 -2.60 -0.03 0.00 0.51 0.00 0.00 43.02 40.76 2bsy s PHE 204 CO 0.00 -0.42 0.03 -0.51 0.70 0.00 0.00 175.22 175.02 2bsy s LEU 205 N 1.89 3.34 0.36 -0.37 1.43 -0.15 -4.99 118.68 120.20 2bsy s LEU 205 Ca 0.09 -0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2bsy s LEU 205 Cb -0.17 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 2bsy s LEU 205 CO 0.11 0.01 0.58 0.20 0.23 0.00 0.00 176.35 177.48 2bsy s ASN 206 N 1.32 6.28 0.25 2.29 -0.87 -1.26 0.02 114.94 122.97 2bsy s ASN 206 Ca 0.04 0.50 -0.27 0.00 -1.57 0.00 0.00 52.86 51.56 2bsy s ASN 206 Cb -0.15 -2.04 -0.16 0.00 -0.02 0.00 0.00 41.25 38.88 2bsy s ASN 206 CO 0.02 -0.34 0.55 1.17 -2.57 0.00 0.00 177.10 175.94 2bsy n LYS 207 N -1.85 0.24 -0.21 -0.60 4.81 -1.22 -1.29 118.16 118.03 2bsy n LYS 207 Ca -0.04 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2bsy n LYS 207 Cb 0.56 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 34.46 2bsy n LYS 207 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2bsy n TYR 208 N -0.12 0.00 -1.92 5.64 0.53 0.30 -4.90 117.16 116.69 2bsy n TYR 208 Ca 0.16 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.63 2bsy n TYR 208 Cb 0.28 -0.16 -0.01 0.00 -1.03 0.00 0.00 39.34 38.42 2bsy n TYR 208 CO 0.00 0.00 0.00 0.50 -1.02 0.00 0.00 176.86 176.34 2bsy s ARG 209 N -0.03 4.21 0.11 -0.72 6.06 -0.42 -4.28 118.95 123.87 2bsy s ARG 209 Ca 0.00 2.43 -0.31 0.00 -2.50 0.00 0.00 55.73 55.35 2bsy s ARG 209 Cb 0.00 -3.04 -0.08 0.00 0.06 0.00 0.00 34.95 31.89 2bsy s ARG 209 CO 0.00 -0.45 1.41 1.03 -2.50 0.00 0.00 175.30 174.79 2bsy s ARG 210 N -1.26 4.31 0.00 5.12 0.52 -1.26 0.68 118.95 127.05 2bsy s ARG 210 Ca 0.56 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.86 2bsy s ARG 210 Cb -0.44 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 31.75 2bsy s ARG 210 CO 0.53 -0.47 0.03 1.97 0.02 0.00 0.00 175.30 177.38 2bsy n PHE 211 N 4.11 0.00 -3.88 -0.53 1.16 -0.58 -4.89 117.46 112.85 2bsy n PHE 211 Ca 0.12 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.66 2bsy n PHE 211 Cb 0.42 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.31 2bsy n PHE 211 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2bsy s GLN 213 N -2.08 0.49 -0.18 0.00 -2.07 0.44 -1.08 119.66 115.18 2bsy s GLN 213 Ca 0.22 -0.62 -0.14 0.00 -1.82 0.00 0.00 55.36 53.00 2bsy s GLN 213 Cb -0.03 -0.30 -0.05 0.00 -1.09 0.00 0.00 33.01 31.54 2bsy s GLN 213 CO 0.07 0.06 0.29 -1.17 -1.32 0.00 0.00 175.29 173.22 2bsy s LEU 214 N -1.23 4.22 -0.05 2.60 2.96 0.60 -1.20 118.68 126.57 2bsy s LEU 214 Ca -0.07 0.46 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 2bsy s LEU 214 Cb -0.08 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.25 2bsy s LEU 214 CO 0.00 0.07 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.25 2bsy s VAL 215 N 0.65 1.38 -0.53 1.68 1.01 -0.05 -0.90 120.40 123.65 2bsy s VAL 215 Ca 0.16 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 2bsy s VAL 215 Cb -0.13 -1.20 0.12 0.00 0.00 0.00 0.00 36.38 35.17 2bsy s VAL 215 CO 0.04 0.40 0.48 -0.31 0.00 0.00 0.00 175.10 175.71 2bsy s TYR 216 N 0.19 3.26 0.18 5.22 1.51 -1.26 -0.77 117.35 125.68 2bsy s TYR 216 Ca -0.07 -1.29 -0.28 0.00 -1.01 0.00 0.00 57.07 54.43 2bsy s TYR 216 Cb -0.13 -3.70 -0.08 0.00 -0.11 0.00 0.00 41.96 37.94 2bsy s TYR 216 CO 0.03 -0.99 0.86 -0.51 -1.11 0.00 0.00 175.55 173.83 2bsy s LEU 217 N 1.59 4.60 0.37 -1.29 2.01 -0.79 -2.07 118.68 123.09 2bsy s LEU 217 Ca 0.03 1.77 -0.28 0.00 0.01 0.00 0.00 54.13 55.67 2bsy s LEU 217 Cb -0.29 -3.45 -0.11 0.00 0.01 0.00 0.00 46.19 42.35 2bsy s LEU 217 CO 0.03 0.15 1.51 -2.28 1.01 0.00 0.00 176.35 176.77 2bsy s HIS 218 N -0.97 2.59 0.60 0.29 5.65 -0.62 -0.32 115.29 122.52 2bsy s HIS 218 Ca 0.39 1.11 0.30 0.00 0.25 0.00 0.00 55.06 57.11 2bsy s HIS 218 Cb -0.24 -4.04 1.71 0.00 -1.18 0.00 0.00 32.58 28.83 2bsy s HIS 218 CO 0.29 -3.11 2.10 1.57 -0.65 0.00 0.00 174.74 174.93 2bsy h LYS 219 N 3.23 0.00 0.00 2.88 2.10 -1.25 -0.71 116.57 122.83 2bsy h LYS 219 Ca -0.50 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.14 2bsy h LYS 219 Cb 1.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2bsy h LYS 219 CO 0.66 0.00 -0.03 0.45 -2.00 0.00 0.00 179.45 178.54 2bsy h HIS 220 N 0.00 0.00 -0.06 0.07 3.86 -1.89 -2.64 115.15 114.50 2bsy h HIS 220 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2bsy h HIS 220 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2bsy h HIS 220 CO 0.00 0.03 0.00 0.72 0.86 0.00 0.00 177.93 179.54 2bsy n HIS 221 N -3.50 0.08 -4.98 2.45 8.25 -0.27 -4.71 115.22 112.54 2bsy n HIS 221 Ca -0.03 -0.04 -0.31 0.00 -0.26 0.00 0.00 57.72 57.09 2bsy n HIS 221 Cb 0.12 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.07 2bsy n HIS 221 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2bsy s LEU 222 N -1.73 2.03 0.07 2.41 1.43 -1.00 -0.73 118.68 121.16 2bsy s LEU 222 Ca 0.35 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 2bsy s LEU 222 Cb 0.18 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 2bsy s LEU 222 CO 0.28 0.12 0.16 0.28 0.23 0.00 0.00 176.35 177.42 2bsy s THR 223 N 0.52 0.14 -0.87 5.49 -1.32 -0.35 -4.93 115.64 114.34 2bsy s THR 223 Ca -0.15 -1.19 0.24 0.00 -1.21 0.00 0.00 61.69 59.38 2bsy s THR 223 Cb -0.17 -1.24 -0.07 0.00 -1.51 0.00 0.00 72.50 69.51 2bsy s THR 223 CO 0.05 -0.66 1.20 -1.20 -2.21 0.00 0.00 174.62 171.81 2bsy n SER 224 N 0.17 0.64 -4.73 8.08 7.64 -1.26 -0.90 113.62 123.27 2bsy n SER 224 Ca -0.16 -0.36 -0.37 0.00 1.01 0.00 0.00 58.87 58.98 2bsy n SER 224 Cb 0.61 0.54 -0.06 0.00 -1.01 0.00 0.00 64.21 64.29 2bsy n SER 224 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2bsy s PHE 225 N -3.07 3.49 0.13 1.43 0.40 -1.26 -4.92 117.98 114.19 2bsy s PHE 225 Ca 0.08 0.77 -0.27 0.00 -0.60 0.00 0.00 56.93 56.90 2bsy s PHE 225 Cb 0.16 -2.46 -0.07 0.00 0.51 0.00 0.00 43.02 41.16 2bsy s PHE 225 CO 0.76 0.20 0.85 0.71 0.70 0.00 0.00 175.22 178.44 2bsy s TYR 226 N 0.54 3.86 0.13 0.36 1.51 -1.26 -4.79 117.35 117.69 2bsy s TYR 226 Ca 0.22 1.69 -0.25 0.00 -1.01 0.00 0.00 57.07 57.72 2bsy s TYR 226 Cb -0.14 -2.89 0.08 0.00 -0.11 0.00 0.00 41.96 38.90 2bsy s TYR 226 CO 0.08 0.37 1.07 -1.54 -1.11 0.00 0.00 175.55 174.41 2bsy s SER 227 N -0.59 -0.06 0.00 2.29 1.04 -1.26 -4.99 113.70 110.13 2bsy s SER 227 Ca 0.40 -0.47 0.08 0.00 0.48 0.00 0.00 55.95 56.45 2bsy s SER 227 Cb -0.23 0.42 0.44 0.00 0.10 0.00 0.00 66.02 66.75 2bsy s SER 227 CO 0.27 -0.80 1.09 -2.65 0.98 0.00 0.00 173.24 172.14 2bsy n PRO 228 N -0.61 0.15 0.00 4.02 -0.02 -1.26 -2.28 135.00 135.01 2bsy n PRO 228 Ca -0.04 0.16 0.09 0.00 -2.02 0.00 0.00 63.50 61.69 2bsy n PRO 228 Cb 0.60 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.63 2bsy n PRO 228 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2bsy n HIS 229 N -1.22 0.00 -4.16 6.00 8.25 -1.26 -5.01 115.22 117.83 2bsy n HIS 229 Ca 0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.41 2bsy n HIS 229 Cb 0.06 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.07 2bsy n HIS 229 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2bsy s SER 230 N -1.77 0.39 -0.18 0.41 1.04 -0.96 -3.42 113.70 109.20 2bsy s SER 230 Ca 0.20 -1.20 -0.12 0.00 0.48 0.00 0.00 55.95 55.30 2bsy s SER 230 Cb 0.16 0.28 0.06 0.00 0.10 0.00 0.00 66.02 66.61 2bsy s SER 230 CO 0.32 -0.71 0.45 -0.62 0.98 0.00 0.00 173.24 173.65 2bsy s ASP 231 N -3.06 -0.53 0.00 7.02 3.68 -0.43 -4.50 116.67 118.85 2bsy s ASP 231 Ca 0.24 0.94 0.30 0.00 2.13 0.00 0.00 52.55 56.16 2bsy s ASP 231 Cb 0.07 0.87 1.75 0.00 -1.45 0.00 0.00 42.92 44.16 2bsy s ASP 231 CO 0.02 -0.18 2.13 0.00 0.13 0.00 0.00 175.17 177.26 2bsy n ALA 232 N 3.77 2.67 1.69 3.66 0.00 -1.26 -1.91 120.51 129.13 2bsy n ALA 232 Ca -0.20 -0.20 0.08 0.00 0.00 0.00 0.00 53.44 53.12 2bsy n ALA 232 Cb 0.56 -1.47 0.37 0.00 0.00 0.00 0.00 19.45 18.91 2bsy n ALA 232 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bsy n GLY 233 N 0.97 -0.51 0.29 0.00 0.00 -1.26 -2.19 105.19 102.50 2bsy n GLY 233 Ca 0.22 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2bsy n GLY 233 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2bsy n VAL 234 N -0.32 1.41 -0.14 1.61 0.31 -1.26 -4.78 118.33 115.16 2bsy n VAL 234 Ca 0.12 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 2bsy n VAL 234 Cb 0.14 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 2bsy n VAL 234 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2bsy n LEU 235 N -4.21 1.22 0.00 7.52 4.77 -1.26 -4.53 117.00 120.51 2bsy n LEU 235 Ca -0.17 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 2bsy n LEU 235 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2bsy n LEU 235 CO 0.14 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2bsy n GLY 236 N -0.18 0.47 0.15 -0.72 0.00 -0.93 -4.60 105.19 99.38 2bsy n GLY 236 Ca 0.00 -2.07 0.13 0.00 0.00 0.00 0.00 46.02 44.08 2bsy n GLY 236 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bsy h PRO 237 N 0.00 0.00 0.04 1.61 0.13 -1.96 -3.24 132.00 128.59 2bsy h PRO 237 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.89 2bsy h PRO 237 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 2bsy h PRO 237 CO 0.00 0.00 -0.97 -0.09 -0.23 0.00 0.00 178.00 176.71 2bsy h ARG 238 N 0.00 0.58 -3.35 0.86 2.43 -1.94 -3.41 114.38 109.55 2bsy h ARG 238 Ca 0.00 -0.69 -0.65 0.00 -0.81 0.00 0.00 59.98 57.83 2bsy h ARG 238 Cb 0.78 0.21 -0.40 0.00 -0.42 0.00 0.00 29.97 30.14 2bsy h ARG 238 CO 0.00 1.28 -0.53 -1.54 -1.51 0.00 0.00 179.97 177.67 2bsy s SER 239 N -7.17 4.70 0.33 -3.80 1.04 -1.22 -4.61 113.70 102.97 2bsy s SER 239 Ca -0.11 -3.21 -0.27 0.00 0.48 0.00 0.00 55.95 52.85 2bsy s SER 239 Cb 0.05 -1.70 -0.09 0.00 0.10 0.00 0.00 66.02 64.38 2bsy s SER 239 CO 0.89 -0.22 1.04 -0.76 0.98 0.00 0.00 173.24 175.18 2bsy s LEU 240 N -0.56 4.38 -0.24 2.42 1.02 -0.08 -4.33 118.68 121.28 2bsy s LEU 240 Ca 0.19 2.10 -0.25 0.00 0.02 0.00 0.00 54.13 56.19 2bsy s LEU 240 Cb -0.19 -3.89 -0.00 0.00 0.02 0.00 0.00 46.19 42.13 2bsy s LEU 240 CO -0.05 -0.24 0.84 0.12 0.02 0.00 0.00 176.35 177.05 2bsy s PHE 241 N -1.41 3.31 -0.33 0.29 5.36 -0.80 -1.21 117.98 123.19 2bsy s PHE 241 Ca 0.50 1.16 -0.04 0.00 -0.96 0.00 0.00 56.93 57.59 2bsy s PHE 241 Cb -0.26 -3.06 0.06 0.00 -0.34 0.00 0.00 43.02 39.41 2bsy s PHE 241 CO 0.33 -0.40 0.07 0.50 -1.46 0.00 0.00 175.22 174.26 2bsy s ARG 242 N 2.86 2.44 0.71 10.12 3.52 0.09 -1.31 118.95 137.38 2bsy s ARG 242 Ca 0.36 -1.32 -0.11 0.00 -0.13 0.00 0.00 55.73 54.52 2bsy s ARG 242 Cb -0.15 -3.35 0.02 0.00 -1.56 0.00 0.00 34.95 29.90 2bsy s ARG 242 CO 0.07 -0.71 1.07 1.67 -0.81 0.00 0.00 175.30 176.59 2bsy s TRP 243 N 1.29 3.16 0.55 5.12 -2.14 -1.22 -4.10 118.94 121.61 2bsy s TRP 243 Ca -0.02 1.26 -0.21 0.00 2.66 0.00 0.00 56.10 59.78 2bsy s TRP 243 Cb -0.20 -2.95 -0.04 0.00 -3.10 0.00 0.00 33.47 27.17 2bsy s TRP 243 CO -0.00 -1.28 1.35 0.00 -2.66 0.00 0.00 176.95 174.36 2bsy s ALA 244 N -3.15 2.78 -1.31 2.67 0.00 0.12 -4.91 121.76 117.95 2bsy s ALA 244 Ca 0.58 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.74 2bsy s ALA 244 Cb -0.13 -3.56 0.13 0.00 0.00 0.00 0.00 23.12 19.56 2bsy s ALA 244 CO 0.54 -1.39 1.87 0.43 0.00 0.00 0.00 175.76 177.21 2bsy n SER 245 N -1.11 4.83 -4.98 0.00 7.64 -1.26 -4.57 113.62 114.16 2bsy n SER 245 Ca 0.11 -3.01 -0.18 0.00 1.01 0.00 0.00 58.87 56.79 2bsy n SER 245 Cb 0.45 -1.56 -0.00 0.00 -1.01 0.00 0.00 64.21 62.09 2bsy n SER 245 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bsy s THR 247 N -2.27 3.23 0.09 0.00 2.01 -1.26 -2.31 115.64 115.14 2bsy s THR 247 Ca 0.48 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 2bsy s THR 247 Cb -0.09 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 2bsy s THR 247 CO 0.31 0.54 0.99 -0.36 -0.69 0.00 0.00 174.62 175.42 2bsy s PHE 248 N 0.03 3.73 -0.15 4.92 0.40 -1.26 -0.64 117.98 125.02 2bsy s PHE 248 Ca -0.04 1.73 0.00 0.00 -0.60 0.00 0.00 56.93 58.03 2bsy s PHE 248 Cb -0.14 -3.11 0.03 0.00 0.51 0.00 0.00 43.02 40.30 2bsy s PHE 248 CO 0.04 -0.01 -0.13 -2.00 0.70 0.00 0.00 175.22 173.82 2bsy s GLU 249 N 0.24 2.15 -0.08 0.44 2.12 0.28 -4.92 118.70 118.93 2bsy s GLU 249 Ca 0.49 -0.55 -0.30 0.00 0.36 0.00 0.00 54.97 54.98 2bsy s GLU 249 Cb -0.24 -2.07 -0.03 0.00 0.26 0.00 0.00 34.13 32.05 2bsy s GLU 249 CO 0.30 -0.27 1.31 -2.00 -0.54 0.00 0.00 175.26 174.07 2bsy s GLU 250 N 1.51 4.27 -0.49 4.30 2.12 -1.26 -1.28 118.70 127.88 2bsy s GLU 250 Ca 0.04 1.79 0.03 0.00 0.36 0.00 0.00 54.97 57.19 2bsy s GLU 250 Cb -0.13 -3.68 0.14 0.00 0.26 0.00 0.00 34.13 30.71 2bsy s GLU 250 CO -0.10 -0.61 0.28 0.08 -0.54 0.00 0.00 175.26 174.36 2bsy s VAL 251 N 2.93 1.89 0.54 3.70 1.01 0.14 -4.88 120.40 125.72 2bsy s VAL 251 Ca 0.59 -3.00 0.28 0.00 0.00 0.00 0.00 61.98 59.86 2bsy s VAL 251 Cb -0.26 -2.31 0.44 0.00 0.00 0.00 0.00 36.38 34.25 2bsy s VAL 251 CO 0.21 -0.90 1.94 -0.65 0.00 0.00 0.00 175.10 175.71 2bsy h PRO 252 N 6.45 0.00 0.00 2.72 0.11 -1.94 -1.34 132.00 137.99 2bsy h PRO 252 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2bsy h PRO 252 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2bsy h PRO 252 CO 0.57 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.23 2bsy n SER 253 N -4.29 0.23 0.26 -2.05 3.41 -1.26 -1.98 113.62 107.95 2bsy n SER 253 Ca 0.14 0.58 0.14 0.00 -0.26 0.00 0.00 58.87 59.47 2bsy n SER 253 Cb 0.78 -0.62 0.62 0.00 -0.26 0.00 0.00 64.21 64.72 2bsy n SER 253 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2bsy h LEU 254 N 0.00 0.00 -9.61 1.04 3.38 -1.59 -3.44 115.31 105.09 2bsy h LEU 254 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2bsy h LEU 254 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2bsy h LEU 254 CO 0.00 0.09 0.49 0.00 0.09 0.00 0.00 178.44 179.11 2bsy s ALA 255 N -3.72 3.37 -0.84 1.53 0.00 -0.84 -4.90 121.76 116.37 2bsy s ALA 255 Ca 0.00 0.82 0.07 0.00 0.00 0.00 0.00 51.96 52.85 2bsy s ALA 255 Cb 0.10 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.90 2bsy s ALA 255 CO 0.58 -0.27 0.71 -1.33 0.00 0.00 0.00 175.76 175.45