#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bw1 s SER 9 N 0.00 0.06 0.37 1.61 1.04 -1.26 -5.14 113.70 110.38 2bw1 s SER 9 Ca 0.00 -0.44 -0.27 0.00 0.48 0.00 0.00 55.95 55.71 2bw1 s SER 9 Cb 0.00 0.30 -0.10 0.00 0.10 0.00 0.00 66.02 66.32 2bw1 s SER 9 CO 0.00 -0.60 1.34 -2.16 0.98 0.00 0.00 173.24 172.80 2bw1 s PRO 10 N -2.87 4.15 0.75 4.02 0.04 -1.26 -4.98 135.00 134.85 2bw1 s PRO 10 Ca -0.03 2.26 -0.15 0.00 0.04 0.00 0.00 61.00 63.12 2bw1 s PRO 10 Cb 0.00 -2.93 0.05 0.00 0.04 0.00 0.00 34.50 31.67 2bw1 s PRO 10 CO -0.06 -0.37 1.23 0.00 0.04 0.00 0.00 177.00 177.84 2bw1 s ALA 11 N -1.18 2.03 -0.30 8.56 0.00 -1.26 -5.01 121.76 124.59 2bw1 s ALA 11 Ca 0.53 0.95 -0.06 0.00 0.00 0.00 0.00 51.96 53.38 2bw1 s ALA 11 Cb -0.40 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.23 2bw1 s ALA 11 CO 0.53 -2.03 0.06 -1.21 0.00 0.00 0.00 175.76 173.11 2bw1 s GLU 12 N -3.89 2.91 0.25 0.00 2.02 -1.26 -5.08 118.70 113.65 2bw1 s GLU 12 Ca 0.76 -0.97 -0.31 0.00 0.02 0.00 0.00 54.97 54.47 2bw1 s GLU 12 Cb -0.31 -3.33 -0.13 0.00 0.10 0.00 0.00 34.13 30.46 2bw1 s GLU 12 CO 0.47 -0.50 1.45 -0.89 0.02 0.00 0.00 175.26 175.80 2bw1 n ILE 13 N 4.81 0.98 -3.93 -1.63 2.08 -1.26 -4.99 119.36 115.42 2bw1 n ILE 13 Ca -0.14 -0.25 -0.33 0.00 0.56 0.00 0.00 62.75 62.59 2bw1 n ILE 13 Cb 0.47 -1.58 -0.14 0.00 -0.75 0.00 0.00 39.64 37.64 2bw1 n ILE 13 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2bw1 s ALA 14 N -0.06 2.92 0.07 -1.39 0.00 -1.26 -5.10 121.76 116.94 2bw1 s ALA 14 Ca 0.67 -2.31 -0.05 0.00 0.00 0.00 0.00 51.96 50.27 2bw1 s ALA 14 Cb -0.61 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 2bw1 s ALA 14 CO 0.50 -1.59 0.09 -1.54 0.00 0.00 0.00 175.76 173.21 2bw1 s SER 15 N 1.27 0.28 0.63 0.00 1.04 -1.26 -5.14 113.70 110.52 2bw1 s SER 15 Ca 0.05 -0.79 -0.17 0.00 0.48 0.00 0.00 55.95 55.52 2bw1 s SER 15 Cb -0.20 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 2bw1 s SER 15 CO -0.05 -0.66 1.16 -0.36 0.98 0.00 0.00 173.24 174.31 2bw1 s PHE 16 N -3.77 2.45 0.13 5.02 0.40 -1.26 -4.94 117.98 116.00 2bw1 s PHE 16 Ca 0.05 1.55 -0.33 0.00 -0.60 0.00 0.00 56.93 57.60 2bw1 s PHE 16 Cb 0.06 -3.34 -0.12 0.00 0.51 0.00 0.00 43.02 40.13 2bw1 s PHE 16 CO -0.10 -2.00 1.55 0.77 0.70 0.00 0.00 175.22 176.15 2bw1 h SER 17 N 0.43 -1.82 0.00 1.36 0.02 -2.05 -3.47 113.55 108.02 2bw1 h SER 17 Ca -0.49 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2bw1 h SER 17 Cb 1.27 0.73 0.00 0.00 0.14 0.00 0.00 62.40 64.54 2bw1 h SER 17 CO 0.54 -0.44 0.00 -2.65 -1.14 0.00 0.00 176.83 173.14 2bw1 n PRO 18 N -5.40 0.00 0.00 3.45 -0.02 -1.26 -4.90 135.00 126.87 2bw1 n PRO 18 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2bw1 n PRO 18 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.84 2bw1 n PRO 18 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2bw1 n ARG 19 N 0.00 0.00 -3.73 -0.52 3.00 -1.26 -4.87 116.66 109.28 2bw1 n ARG 19 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.85 57.57 2bw1 n ARG 19 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.47 2bw1 n ARG 19 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2bw1 n PRO 20 N 0.00 -0.80 -3.56 5.56 -0.02 -1.26 -4.90 135.00 130.02 2bw1 n PRO 20 Ca 0.00 0.24 -0.29 0.00 -2.02 0.00 0.00 63.50 61.43 2bw1 n PRO 20 Cb 0.00 -1.61 -0.12 0.00 -0.02 0.00 0.00 33.50 31.76 2bw1 n PRO 20 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2bw1 s SER 21 N -3.29 2.97 -0.00 2.55 1.04 -1.26 -5.02 113.70 110.68 2bw1 s SER 21 Ca 0.18 -2.65 -0.03 0.00 0.48 0.00 0.00 55.95 53.93 2bw1 s SER 21 Cb -0.10 -0.70 -0.12 0.00 0.10 0.00 0.00 66.02 65.20 2bw1 s SER 21 CO 0.70 -0.25 1.93 0.18 0.98 0.00 0.00 173.24 176.78 2bw1 n LEU 22 N 3.46 2.41 0.06 2.42 4.32 -1.26 -4.41 117.00 123.99 2bw1 n LEU 22 Ca 0.15 -1.73 0.11 0.00 -0.02 0.00 0.00 56.01 54.53 2bw1 n LEU 22 Cb 0.39 -0.65 0.03 0.00 -1.62 0.00 0.00 43.42 41.56 2bw1 n LEU 22 CO 0.17 0.51 0.01 0.00 -1.22 0.00 0.00 177.39 176.86 2bw1 n ALA 23 N 2.78 2.94 -2.22 -1.18 0.00 -1.26 -4.78 120.51 116.79 2bw1 n ALA 23 Ca 0.20 -0.32 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 2bw1 n ALA 23 Cb 0.42 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.73 2bw1 n ALA 23 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2bw1 s ASP 24 N -4.55 0.61 0.22 0.00 3.84 -1.26 -5.04 116.67 110.50 2bw1 s ASP 24 Ca 0.02 -1.29 -0.09 0.00 -0.00 0.00 0.00 52.55 51.19 2bw1 s ASP 24 Cb 0.12 0.26 0.21 0.00 -1.38 0.00 0.00 42.92 42.13 2bw1 s ASP 24 CO 0.79 -0.73 1.89 0.28 -0.00 0.00 0.00 175.17 177.40 2bw1 h SER 25 N 2.66 0.93 -0.77 2.11 0.02 -1.92 -1.69 113.55 114.89 2bw1 h SER 25 Ca -0.36 -0.02 0.09 0.00 -0.84 0.00 0.00 61.79 60.66 2bw1 h SER 25 Cb 1.23 -0.22 -0.07 0.00 0.14 0.00 0.00 62.40 63.47 2bw1 h SER 25 CO 0.58 0.66 0.43 0.11 -1.14 0.00 0.00 176.83 177.47 2bw1 h LYS 26 N 1.10 0.70 -0.23 3.45 1.57 -1.97 -1.62 116.57 119.57 2bw1 h LYS 26 Ca 0.31 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2bw1 h LYS 26 Cb -0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 2bw1 h LYS 26 CO -0.08 0.47 0.08 0.00 -0.57 0.00 0.00 179.45 179.34 2bw1 h ALA 27 N 1.43 0.30 -0.62 3.86 0.00 -1.67 -2.38 119.26 120.18 2bw1 h ALA 27 Ca 0.37 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 2bw1 h ALA 27 Cb 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2bw1 h ALA 27 CO -0.25 -0.09 0.11 0.28 0.00 0.00 0.00 179.25 179.31 2bw1 h VAL 28 N 0.20 1.26 -0.59 0.00 2.07 -1.24 -0.42 116.25 117.54 2bw1 h VAL 28 Ca 0.07 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.66 2bw1 h VAL 28 Cb 0.22 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 2bw1 h VAL 28 CO -0.00 0.37 0.31 -0.07 0.02 0.00 0.00 177.57 178.19 2bw1 h LEU 29 N 0.93 0.44 -0.66 2.57 3.38 -1.30 0.14 115.31 120.82 2bw1 h LEU 29 Ca 0.19 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.05 2bw1 h LEU 29 Cb 0.41 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2bw1 h LEU 29 CO 0.01 0.29 -0.46 -1.13 0.09 0.00 0.00 178.44 177.25 2bw1 h ASN 30 N 0.58 0.55 -0.35 -0.43 -1.24 -1.14 0.11 115.58 113.65 2bw1 h ASN 30 Ca 0.26 -0.26 0.01 0.00 0.71 0.00 0.00 56.30 57.02 2bw1 h ASN 30 Cb 0.17 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 2bw1 h ASN 30 CO -0.18 0.93 0.22 -0.61 -1.29 0.00 0.00 177.43 176.50 2bw1 h GLN 31 N 0.41 0.43 -0.90 6.67 5.75 -0.58 -1.37 115.11 125.53 2bw1 h GLN 31 Ca 0.03 -0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 2bw1 h GLN 31 Cb 0.96 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 29.35 2bw1 h GLN 31 CO 0.08 0.29 0.55 0.00 -2.65 0.00 0.00 178.83 177.11 2bw1 h ALA 32 N 1.15 1.27 -0.39 3.38 0.00 -0.37 0.21 119.26 124.50 2bw1 h ALA 32 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2bw1 h ALA 32 Cb -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2bw1 h ALA 32 CO -0.05 0.26 0.21 0.28 0.00 0.00 0.00 179.25 179.95 2bw1 h VAL 33 N 0.97 1.01 -0.04 0.00 2.07 -0.40 0.31 116.25 120.17 2bw1 h VAL 33 Ca 0.41 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 2bw1 h VAL 33 Cb 0.26 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2bw1 h VAL 33 CO -0.20 0.08 -0.01 0.00 0.02 0.00 0.00 177.57 177.46 2bw1 h ALA 34 N 1.19 0.06 -0.36 1.67 0.00 -0.56 -2.56 119.26 118.70 2bw1 h ALA 34 Ca 0.16 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2bw1 h ALA 34 Cb 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2bw1 h ALA 34 CO -0.09 -0.24 -0.08 -0.44 0.00 0.00 0.00 179.25 178.40 2bw1 h ASP 35 N -0.26 0.58 -0.31 0.00 3.32 -0.33 -2.25 116.42 117.17 2bw1 h ASP 35 Ca 0.01 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.80 2bw1 h ASP 35 Cb 0.39 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2bw1 h ASP 35 CO 0.00 0.71 -0.22 -0.07 -1.72 0.00 0.00 179.24 177.94 2bw1 h LEU 36 N 0.56 0.80 -0.65 1.55 3.38 -0.43 0.81 115.31 121.34 2bw1 h LEU 36 Ca 0.11 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2bw1 h LEU 36 Cb 0.47 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2bw1 h LEU 36 CO 0.03 1.00 0.27 0.28 0.09 0.00 0.00 178.44 180.10 2bw1 h SER 37 N 0.69 0.88 0.04 -0.43 0.02 -1.12 0.67 113.55 114.30 2bw1 h SER 37 Ca 0.10 -0.16 -0.19 0.00 -0.84 0.00 0.00 61.79 60.69 2bw1 h SER 37 Cb 0.73 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2bw1 h SER 37 CO 0.06 0.80 -0.69 0.58 -1.14 0.00 0.00 176.83 176.44 2bw1 h VAL 38 N 0.91 1.33 -0.87 2.27 2.07 -1.23 -2.60 116.25 118.13 2bw1 h VAL 38 Ca 0.22 -1.98 0.01 0.00 0.82 0.00 0.00 66.70 65.77 2bw1 h VAL 38 Cb 0.18 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 2bw1 h VAL 38 CO -0.02 0.61 0.57 0.00 0.02 0.00 0.00 177.57 178.76 2bw1 h ALA 39 N 0.80 1.10 -0.39 1.67 0.00 -0.65 -0.24 119.26 121.55 2bw1 h ALA 39 Ca -0.03 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2bw1 h ALA 39 Cb 1.28 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2bw1 h ALA 39 CO 0.13 0.50 0.21 1.25 0.00 0.00 0.00 179.25 181.34 2bw1 h HIS 40 N 1.17 0.39 -0.53 0.00 6.17 -0.73 -0.23 115.15 121.40 2bw1 h HIS 40 Ca 0.32 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.44 2bw1 h HIS 40 Cb -0.13 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 29.64 2bw1 h HIS 40 CO -0.01 0.21 0.32 1.03 0.71 0.00 0.00 177.93 180.19 2bw1 h SER 41 N 0.43 0.52 -0.54 3.26 0.87 -0.97 -0.65 113.55 116.46 2bw1 h SER 41 Ca 0.16 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2bw1 h SER 41 Cb 0.05 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2bw1 h SER 41 CO -0.10 0.36 0.17 0.40 -0.53 0.00 0.00 176.83 177.13 2bw1 h ILE 42 N 0.63 1.23 -0.59 2.23 2.04 -0.72 -0.93 117.51 121.40 2bw1 h ILE 42 Ca 0.21 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 2bw1 h ILE 42 Cb 0.02 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2bw1 h ILE 42 CO -0.09 0.29 0.12 -0.07 0.00 0.00 0.00 178.15 178.40 2bw1 h LEU 43 N 0.74 0.88 -0.77 1.44 3.38 -0.84 -1.48 115.31 118.66 2bw1 h LEU 43 Ca 0.17 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2bw1 h LEU 43 Cb 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2bw1 h LEU 43 CO -0.01 0.87 -0.11 -0.74 0.09 0.00 0.00 178.44 178.54 2bw1 h HIS 44 N 0.89 0.91 -0.09 1.13 2.76 -0.76 -1.61 115.15 118.37 2bw1 h HIS 44 Ca 0.19 -0.17 0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2bw1 h HIS 44 Cb 0.35 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 2bw1 h HIS 44 CO 0.02 0.88 -0.00 0.37 -1.30 0.00 0.00 177.93 177.91 2bw1 h GLN 45 N 0.74 0.03 -0.49 5.26 4.15 -0.79 -1.39 115.11 122.63 2bw1 h GLN 45 Ca 0.12 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.62 2bw1 h GLN 45 Cb 0.60 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.22 2bw1 h GLN 45 CO 0.04 0.02 0.15 0.28 -1.93 0.00 0.00 178.83 177.39 2bw1 h VAL 46 N 0.03 0.79 -0.14 2.39 2.07 -1.11 -0.14 116.25 120.14 2bw1 h VAL 46 Ca 0.04 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2bw1 h VAL 46 Cb 0.05 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2bw1 h VAL 46 CO -0.07 0.06 -0.11 -0.74 0.02 0.00 0.00 177.57 176.72 2bw1 h HIS 47 N 0.30 -0.28 -0.19 1.57 -0.00 -1.15 -1.84 115.15 113.57 2bw1 h HIS 47 Ca 0.24 0.02 -0.15 0.00 -0.00 0.00 0.00 60.37 60.48 2bw1 h HIS 47 Cb 0.28 0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 2bw1 h HIS 47 CO -0.18 -0.17 -0.47 -1.49 -0.00 0.00 0.00 177.93 175.61 2bw1 h TRP 48 N -0.13 0.84 -0.01 5.26 6.55 -0.95 -3.31 115.95 124.20 2bw1 h TRP 48 Ca 0.09 -0.32 0.00 0.00 0.95 0.00 0.00 58.89 59.61 2bw1 h TRP 48 Cb 0.26 -0.15 0.00 0.00 -0.86 0.00 0.00 29.16 28.41 2bw1 h TRP 48 CO -0.24 1.10 -0.16 0.66 -1.05 0.00 0.00 178.44 178.74 2bw1 n TYR 49 N -4.19 0.00 -1.73 0.49 4.02 -0.09 -4.94 117.16 110.72 2bw1 n TYR 49 Ca -0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.41 2bw1 n TYR 49 Cb 0.58 -0.07 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 2bw1 n TYR 49 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 176.86 175.73 2bw1 n MET 50 N -0.24 2.59 -3.80 -0.72 1.56 -0.69 -4.38 117.12 111.43 2bw1 n MET 50 Ca 0.15 0.92 -0.13 0.00 -0.27 0.00 0.00 57.70 58.37 2bw1 n MET 50 Cb 0.37 -2.68 -0.10 0.00 2.15 0.00 0.00 33.22 32.95 2bw1 n MET 50 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2bw1 s ARG 51 N -0.42 0.47 0.00 2.12 0.52 -1.26 -5.04 118.95 115.33 2bw1 s ARG 51 Ca 0.65 0.00 0.00 0.00 -0.52 0.00 0.00 55.73 55.86 2bw1 s ARG 51 Cb -0.52 0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.16 2bw1 s ARG 51 CO 0.48 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 176.11 2bw1 n GLY 52 N 2.03 2.60 3.72 -3.53 0.00 -1.26 -4.23 105.19 104.52 2bw1 n GLY 52 Ca -0.18 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.33 2bw1 n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bw1 s ARG 53 N -1.96 4.23 0.00 1.61 1.81 -1.26 -1.46 118.95 121.93 2bw1 s ARG 53 Ca 0.00 2.32 0.00 0.00 -1.72 0.00 0.00 55.73 56.33 2bw1 s ARG 53 Cb 0.00 -3.16 0.00 0.00 -0.45 0.00 0.00 34.95 31.34 2bw1 s ARG 53 CO 0.00 -0.57 0.00 0.41 -0.68 0.00 0.00 175.30 174.46 2bw1 n GLY 54 N 3.56 1.04 0.32 -3.53 0.00 -1.26 -4.91 105.19 100.40 2bw1 n GLY 54 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 2bw1 n GLY 54 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2bw1 h PHE 55 N 0.00 -0.66 0.00 1.61 3.57 -1.61 -0.51 116.94 119.34 2bw1 h PHE 55 Ca 0.00 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2bw1 h PHE 55 Cb 0.00 0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 2bw1 h PHE 55 CO 0.00 -0.35 -0.05 1.98 -2.23 0.00 0.00 178.31 177.66 2bw1 h MET 56 N -0.06 0.00 0.07 1.11 4.05 -1.95 0.18 114.93 118.32 2bw1 h MET 56 Ca 0.31 0.00 -0.35 0.00 -0.28 0.00 0.00 59.70 59.37 2bw1 h MET 56 Cb 0.56 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 2bw1 h MET 56 CO -0.76 0.05 -2.01 0.44 0.23 0.00 0.00 176.91 174.86 2bw1 n ILE 57 N -3.47 1.66 0.06 1.77 -6.64 -0.89 -4.52 119.36 107.34 2bw1 n ILE 57 Ca -0.02 -0.51 -0.07 0.00 -1.77 0.00 0.00 62.75 60.39 2bw1 n ILE 57 Cb 0.17 -1.74 -0.11 0.00 -1.44 0.00 0.00 39.64 36.52 2bw1 n ILE 57 CO 0.00 0.00 0.00 -0.50 -1.77 0.00 0.00 176.55 174.28 2bw1 h TRP 58 N -0.21 0.00 0.27 4.28 4.06 -0.60 -2.60 115.95 121.14 2bw1 h TRP 58 Ca -0.46 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.48 2bw1 h TRP 58 Cb 1.85 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.98 2bw1 h TRP 58 CO 0.06 0.97 -0.41 1.25 -3.56 0.00 0.00 178.44 176.76 2bw1 h HIS 59 N 0.00 -1.15 0.00 0.49 2.76 -0.88 -2.13 115.15 114.25 2bw1 h HIS 59 Ca -0.02 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 2bw1 h HIS 59 Cb 1.76 0.46 -0.01 0.00 1.55 0.00 0.00 27.41 31.18 2bw1 h HIS 59 CO 0.00 -0.50 -0.21 -1.00 -1.30 0.00 0.00 177.93 174.91 2bw1 h PRO 60 N -0.71 0.00 -1.00 5.26 0.13 -1.78 -2.44 132.00 131.45 2bw1 h PRO 60 Ca -0.03 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.16 2bw1 h PRO 60 Cb 0.65 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.71 2bw1 h PRO 60 CO -0.12 0.21 0.65 -0.22 -0.23 0.00 0.00 178.00 178.29 2bw1 h LYS 61 N 0.00 1.14 -0.93 0.86 1.63 -1.21 -1.79 116.57 116.28 2bw1 h LYS 61 Ca -0.00 -0.07 0.06 0.00 -0.85 0.00 0.00 60.65 59.78 2bw1 h LYS 61 Cb 0.43 -0.26 -0.06 0.00 -0.60 0.00 0.00 32.23 31.74 2bw1 h LYS 61 CO 0.03 0.76 0.59 0.52 -3.45 0.00 0.00 179.45 177.90 2bw1 h MET 62 N 1.18 1.07 -0.85 1.90 2.86 -0.88 -0.13 114.93 120.08 2bw1 h MET 62 Ca 0.43 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 58.07 2bw1 h MET 62 Cb 0.16 -0.24 -0.06 0.00 0.06 0.00 0.00 31.60 31.52 2bw1 h MET 62 CO -0.17 0.71 0.53 -0.44 1.06 0.00 0.00 176.91 178.59 2bw1 h ASP 63 N 1.10 0.83 -0.40 1.22 3.32 -1.35 0.16 116.42 121.31 2bw1 h ASP 63 Ca 0.39 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.39 2bw1 h ASP 63 Cb 0.12 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2bw1 h ASP 63 CO -0.16 0.54 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.55 2bw1 h GLU 64 N 0.97 0.72 -0.68 3.56 5.08 -0.71 -1.83 114.58 121.69 2bw1 h GLU 64 Ca 0.37 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 2bw1 h GLU 64 Cb 0.15 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2bw1 h GLU 64 CO -0.17 0.82 0.13 1.88 -1.00 0.00 0.00 179.01 180.67 2bw1 h TYR 65 N 0.54 1.17 -0.72 4.33 0.99 -0.69 -2.04 116.97 120.56 2bw1 h TYR 65 Ca 0.11 -0.15 0.05 0.00 2.00 0.00 0.00 58.73 60.73 2bw1 h TYR 65 Cb 0.51 -0.32 -0.05 0.00 1.00 0.00 0.00 36.73 37.87 2bw1 h TYR 65 CO 0.04 0.97 0.43 1.98 -0.00 0.00 0.00 178.16 181.58 2bw1 h MET 66 N 1.03 0.79 -0.59 4.88 4.05 -0.50 0.10 114.93 124.70 2bw1 h MET 66 Ca 0.21 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2bw1 h MET 66 Cb 0.42 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 2bw1 h MET 66 CO 0.01 0.53 0.39 1.49 0.23 0.00 0.00 176.91 179.55 2bw1 h GLU 67 N 0.82 0.78 -0.35 0.39 4.81 -1.09 0.57 114.58 120.51 2bw1 h GLU 67 Ca 0.30 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 2bw1 h GLU 67 Cb 0.10 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2bw1 h GLU 67 CO -0.14 0.52 -0.04 1.49 -0.73 0.00 0.00 179.01 180.11 2bw1 h GLU 68 N 0.80 0.65 -0.35 1.92 4.81 -0.68 -1.32 114.58 120.40 2bw1 h GLU 68 Ca 0.22 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2bw1 h GLU 68 Cb -0.08 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2bw1 h GLU 68 CO -0.05 0.79 0.21 0.82 -0.73 0.00 0.00 179.01 180.05 2bw1 h ILE 69 N 0.45 1.04 -0.86 2.32 5.03 -0.58 -1.80 117.51 123.10 2bw1 h ILE 69 Ca 0.09 -0.14 0.07 0.00 -0.12 0.00 0.00 64.86 64.76 2bw1 h ILE 69 Cb 0.52 0.58 -0.06 0.00 -3.03 0.00 0.00 36.82 34.84 2bw1 h ILE 69 CO 0.03 0.08 0.56 0.44 -0.68 0.00 0.00 178.15 178.57 2bw1 h ASP 70 N 0.42 0.83 -0.43 1.72 3.45 -0.74 -0.49 116.42 121.18 2bw1 h ASP 70 Ca 0.14 0.01 0.02 0.00 0.43 0.00 0.00 57.03 57.62 2bw1 h ASP 70 Cb -0.00 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.57 2bw1 h ASP 70 CO -0.06 0.52 0.25 1.23 -1.57 0.00 0.00 179.24 179.62 2bw1 h GLY 71 N 0.94 0.60 1.02 2.75 0.00 -0.68 -0.28 103.07 107.42 2bw1 h GLY 71 Ca 0.38 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 2bw1 h GLY 71 CO -0.14 0.17 0.10 -0.97 0.00 0.00 0.00 176.54 175.70 2bw1 h TYR 72 N 0.51 1.01 -0.39 5.60 0.05 -0.68 -1.81 116.97 121.27 2bw1 h TYR 72 Ca 0.17 -0.14 0.05 0.00 0.05 0.00 0.00 58.73 58.87 2bw1 h TYR 72 Cb 0.01 -0.28 -0.05 0.00 1.01 0.00 0.00 36.73 37.42 2bw1 h TYR 72 CO -0.07 0.88 0.10 1.25 -1.05 0.00 0.00 178.16 179.27 2bw1 h LEU 73 N 0.85 0.07 -0.05 3.88 5.85 -0.79 0.48 115.31 125.61 2bw1 h LEU 73 Ca 0.18 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.96 2bw1 h LEU 73 Cb 0.41 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2bw1 h LEU 73 CO 0.01 0.08 -0.24 0.44 -0.34 0.00 0.00 178.44 178.39 2bw1 h ASP 74 N 0.24 -0.75 -0.56 1.25 3.32 -0.87 -0.19 116.42 118.86 2bw1 h ASP 74 Ca 0.18 0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.37 2bw1 h ASP 74 Cb 0.20 0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.99 2bw1 h ASP 74 CO -0.22 -0.22 0.30 -0.33 -1.72 0.00 0.00 179.24 177.06 2bw1 h GLU 75 N -0.26 0.56 -0.31 3.56 5.08 -0.97 -1.98 114.58 120.26 2bw1 h GLU 75 Ca 0.01 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 2bw1 h GLU 75 Cb 0.30 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2bw1 h GLU 75 CO -0.18 0.37 -0.51 0.52 -1.00 0.00 0.00 179.01 178.20 2bw1 h MET 76 N 0.57 0.89 -0.82 2.33 2.86 -0.88 -0.85 114.93 119.04 2bw1 h MET 76 Ca 0.25 -0.55 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 2bw1 h MET 76 Cb 0.14 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 2bw1 h MET 76 CO -0.16 1.19 0.42 0.66 1.06 0.00 0.00 176.91 180.08 2bw1 h SER 77 N 0.69 1.04 0.55 1.22 4.64 -0.59 -1.06 113.55 120.03 2bw1 h SER 77 Ca 0.02 -0.10 -0.28 0.00 -0.47 0.00 0.00 61.79 60.96 2bw1 h SER 77 Cb 1.12 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.90 2bw1 h SER 77 CO 0.12 0.85 -1.58 -0.33 -0.87 0.00 0.00 176.83 175.02 2bw1 h GLU 78 N 1.15 0.05 -0.75 4.77 5.08 -1.35 -0.57 114.58 122.96 2bw1 h GLU 78 Ca 0.29 -0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 2bw1 h GLU 78 Cb 0.07 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 2bw1 h GLU 78 CO -0.04 0.71 0.44 -0.09 -1.00 0.00 0.00 179.01 179.03 2bw1 h ARG 79 N 0.01 0.79 -0.12 2.33 9.65 -0.91 0.12 114.38 126.25 2bw1 h ARG 79 Ca -0.24 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.60 2bw1 h ARG 79 Cb 1.97 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 30.36 2bw1 h ARG 79 CO 0.10 0.52 0.05 1.25 2.80 0.00 0.00 179.97 184.69 2bw1 h LEU 80 N 0.81 0.07 -0.69 3.80 5.85 -0.79 0.15 115.31 124.50 2bw1 h LEU 80 Ca 0.33 0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.08 2bw1 h LEU 80 Cb 0.17 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2bw1 h LEU 80 CO -0.17 0.06 0.44 0.40 -0.34 0.00 0.00 178.44 178.82 2bw1 h ILE 81 N 0.11 1.12 -0.49 4.05 2.04 -0.88 0.14 117.51 123.61 2bw1 h ILE 81 Ca 0.05 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 2bw1 h ILE 81 Cb 0.02 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 2bw1 h ILE 81 CO -0.04 0.16 0.22 0.74 0.00 0.00 0.00 178.15 179.22 2bw1 h THR 82 N 0.88 1.17 0.00 -0.27 2.02 -0.36 -1.50 112.91 114.84 2bw1 h THR 82 Ca 0.27 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2bw1 h THR 82 Cb -0.02 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2bw1 h THR 82 CO -0.09 0.20 0.00 0.18 0.37 0.00 0.00 175.52 176.18 2bw1 n LEU 83 N -4.37 0.00 0.00 2.58 4.77 0.48 -4.87 117.00 115.60 2bw1 n LEU 83 Ca 0.04 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2bw1 n LEU 83 Cb 0.14 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2bw1 n LEU 83 CO 0.37 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2bw1 n GLY 84 N 0.68 0.73 1.35 -0.72 0.00 -0.57 -5.07 105.19 101.60 2bw1 n GLY 84 Ca 0.17 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2bw1 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bw1 n GLY 85 N -2.50 -0.22 2.60 -0.02 0.00 0.45 -4.99 105.19 100.51 2bw1 n GLY 85 Ca 0.00 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 2bw1 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bw1 s ALA 86 N -3.42 0.83 0.38 4.61 0.00 -1.26 -4.40 121.76 118.50 2bw1 s ALA 86 Ca 0.25 -1.14 -0.27 0.00 0.00 0.00 0.00 51.96 50.80 2bw1 s ALA 86 Cb -0.01 -1.40 -0.09 0.00 0.00 0.00 0.00 23.12 21.62 2bw1 s ALA 86 CO 0.17 -1.59 1.25 -1.25 0.00 0.00 0.00 175.76 174.34 2bw1 s PRO 87 N 1.98 4.11 0.37 0.00 0.04 -1.26 -4.97 135.00 135.28 2bw1 s PRO 87 Ca 0.08 2.06 -0.25 0.00 0.04 0.00 0.00 61.00 62.93 2bw1 s PRO 87 Cb -0.16 -2.83 -0.12 0.00 0.04 0.00 0.00 34.50 31.43 2bw1 s PRO 87 CO -0.30 -0.34 0.91 1.19 0.04 0.00 0.00 177.00 178.49 2bw1 n PHE 88 N 0.32 0.85 -2.05 0.56 0.99 -1.26 -4.89 117.46 111.97 2bw1 n PHE 88 Ca 0.03 0.63 -0.06 0.00 -0.00 0.00 0.00 57.45 58.04 2bw1 n PHE 88 Cb 0.44 -2.18 -0.05 0.00 -1.00 0.00 0.00 39.48 36.69 2bw1 n PHE 88 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2bw1 n SER 89 N 0.92 -1.01 -3.89 4.37 3.41 -1.26 -4.95 113.62 111.21 2bw1 n SER 89 Ca 0.10 -1.95 -0.11 0.00 -0.26 0.00 0.00 58.87 56.65 2bw1 n SER 89 Cb 0.36 0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 64.53 2bw1 n SER 89 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2bw1 s THR 90 N 0.01 0.07 0.38 6.66 -4.23 -1.26 -5.05 115.64 112.22 2bw1 s THR 90 Ca 0.01 -0.60 0.06 0.00 -1.18 0.00 0.00 61.69 59.98 2bw1 s THR 90 Cb 0.04 -0.32 0.27 0.00 1.34 0.00 0.00 72.50 73.83 2bw1 s THR 90 CO -0.01 -0.33 2.02 -0.07 -0.54 0.00 0.00 174.62 175.69 2bw1 h LEU 91 N 4.77 0.59 -0.18 4.79 3.38 -1.99 -1.48 115.31 125.18 2bw1 h LEU 91 Ca -0.30 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.69 2bw1 h LEU 91 Cb 1.20 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2bw1 h LEU 91 CO 0.41 0.41 0.02 0.50 0.09 0.00 0.00 178.44 179.88 2bw1 h LYS 92 N 0.69 0.08 -0.62 1.13 3.64 -1.99 -0.83 116.57 118.66 2bw1 h LYS 92 Ca 0.22 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 2bw1 h LYS 92 Cb 0.02 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2bw1 h LYS 92 CO -0.05 0.05 0.14 0.93 -2.27 0.00 0.00 179.45 178.25 2bw1 h GLU 93 N 0.08 0.98 0.03 1.90 5.08 -1.77 -2.22 114.58 118.66 2bw1 h GLU 93 Ca 0.08 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2bw1 h GLU 93 Cb 0.09 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2bw1 h GLU 93 CO -0.12 0.88 -0.01 0.74 -1.00 0.00 0.00 179.01 179.49 2bw1 h PHE 94 N 0.93 -0.03 -0.48 4.33 0.05 -1.13 -1.89 116.94 118.72 2bw1 h PHE 94 Ca 0.20 -0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.87 2bw1 h PHE 94 Cb 0.35 0.01 -0.01 0.00 2.00 0.00 0.00 35.95 38.30 2bw1 h PHE 94 CO 0.02 0.05 -0.16 1.03 -0.18 0.00 0.00 178.31 179.08 2bw1 h SER 95 N -0.11 0.96 0.27 2.17 0.87 -1.07 -0.88 113.55 115.77 2bw1 h SER 95 Ca -0.00 -0.38 -0.21 0.00 -1.23 0.00 0.00 61.79 59.97 2bw1 h SER 95 Cb 0.10 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 2bw1 h SER 95 CO 0.01 1.12 -0.85 -0.33 -0.53 0.00 0.00 176.83 176.25 2bw1 h GLU 96 N 0.80 0.43 0.00 2.24 5.08 -1.47 -3.30 114.58 118.35 2bw1 h GLU 96 Ca 0.12 -0.41 -0.18 0.00 -1.00 0.00 0.00 59.36 57.88 2bw1 h GLU 96 Cb 0.72 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 2bw1 h GLU 96 CO 0.06 1.06 -0.95 -0.91 -1.00 0.00 0.00 179.01 177.27 2bw1 h ASN 97 N 0.27 0.00 -3.91 1.42 2.35 -1.22 -3.47 115.58 111.03 2bw1 h ASN 97 Ca -0.06 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.18 2bw1 h ASN 97 Cb 1.46 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.89 2bw1 h ASN 97 CO 0.15 0.80 0.55 -0.55 -1.65 0.00 0.00 177.43 176.73 2bw1 s SER 98 N -6.49 6.64 0.00 5.81 0.15 -0.35 -4.90 113.70 114.57 2bw1 s SER 98 Ca 0.01 2.47 0.27 0.00 0.70 0.00 0.00 55.95 59.40 2bw1 s SER 98 Cb 0.09 -2.63 0.87 0.00 -1.71 0.00 0.00 66.02 62.64 2bw1 s SER 98 CO 0.80 -0.60 1.64 0.00 1.20 0.00 0.00 173.24 176.27 2bw1 n GLN 99 N 0.41 0.73 -2.80 5.44 6.02 -1.26 -4.87 117.38 121.04 2bw1 n GLN 99 Ca 0.02 -0.38 -0.40 0.00 -0.01 0.00 0.00 57.00 56.23 2bw1 n GLN 99 Cb 0.45 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.16 2bw1 n GLN 99 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2bw1 s LEU 100 N -2.54 4.59 -0.13 1.08 1.43 -1.26 -5.05 118.68 116.80 2bw1 s LEU 100 Ca 0.24 1.82 -0.03 0.00 -1.03 0.00 0.00 54.13 55.14 2bw1 s LEU 100 Cb 0.19 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 2bw1 s LEU 100 CO 0.52 0.10 -0.02 -1.59 0.23 0.00 0.00 176.35 175.59 2bw1 s LYS 101 N -0.78 3.38 0.10 1.70 0.00 -1.26 -5.07 119.74 117.81 2bw1 s LYS 101 Ca 0.41 -0.47 0.02 0.00 0.00 0.00 0.00 55.97 55.93 2bw1 s LYS 101 Cb -0.24 -2.86 -0.04 0.00 0.00 0.00 0.00 37.83 34.68 2bw1 s LYS 101 CO 0.30 0.44 0.17 -1.21 0.00 0.00 0.00 175.35 175.04 2bw1 s GLU 102 N -0.16 3.18 0.31 1.78 2.02 -1.26 -5.10 118.70 119.48 2bw1 s GLU 102 Ca 0.04 -0.62 0.05 0.00 0.02 0.00 0.00 54.97 54.46 2bw1 s GLU 102 Cb -0.13 -2.86 -0.06 0.00 0.10 0.00 0.00 34.13 31.18 2bw1 s GLU 102 CO 0.02 0.56 0.02 0.14 0.02 0.00 0.00 175.26 176.02 2bw1 s VAL 103 N -1.55 1.34 0.37 2.63 -7.23 -1.26 -5.12 120.40 109.57 2bw1 s VAL 103 Ca 0.32 -2.03 -0.27 0.00 -1.81 0.00 0.00 61.98 58.19 2bw1 s VAL 103 Cb -0.12 -2.69 -0.09 0.00 0.56 0.00 0.00 36.38 34.04 2bw1 s VAL 103 CO 0.25 -0.10 1.27 -0.76 -0.31 0.00 0.00 175.10 175.45 2bw1 s LEU 104 N -3.48 4.32 0.52 1.32 1.02 -1.26 -4.97 118.68 116.15 2bw1 s LEU 104 Ca 0.34 2.59 -0.22 0.00 0.02 0.00 0.00 54.13 56.85 2bw1 s LEU 104 Cb 0.07 -3.81 -0.06 0.00 0.02 0.00 0.00 46.19 42.42 2bw1 s LEU 104 CO 0.14 -0.65 1.31 -0.83 0.02 0.00 0.00 176.35 176.34 2bw1 s GLY 105 N -0.72 2.86 -0.13 -3.19 0.00 -1.26 -5.03 107.32 99.84 2bw1 s GLY 105 Ca 0.53 1.23 -0.06 0.00 0.00 0.00 0.00 44.72 46.42 2bw1 s GLY 105 CO 0.48 1.74 0.30 -0.35 0.00 0.00 0.00 173.10 175.27 2bw1 s ASP 106 N -1.05 -0.16 0.00 1.64 2.15 -1.26 -5.04 116.67 112.96 2bw1 s ASP 106 Ca 0.69 0.67 0.29 0.00 0.43 0.00 0.00 52.55 54.63 2bw1 s ASP 106 Cb -0.37 0.66 1.64 0.00 -0.30 0.00 0.00 42.92 44.55 2bw1 s ASP 106 CO 0.44 -0.20 2.05 -1.22 -0.17 0.00 0.00 175.17 176.08 2bw1 n TYR 107 N 4.65 0.00 -0.35 -5.34 4.02 -1.26 -3.98 117.16 114.89 2bw1 n TYR 107 Ca -0.18 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.80 2bw1 n TYR 107 Cb 0.52 -0.10 0.25 0.00 -0.02 0.00 0.00 39.34 39.99 2bw1 n TYR 107 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2bw1 n ASN 108 N -1.10 3.62 -4.73 7.72 3.02 -1.26 -4.56 115.26 117.97 2bw1 n ASN 108 Ca 0.19 -2.10 -0.40 0.00 -0.03 0.00 0.00 54.58 52.23 2bw1 n ASN 108 Cb 0.15 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 38.87 2bw1 n ASN 108 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bw1 s VAL 109 N -1.19 4.75 0.84 2.41 1.01 -1.26 -5.06 120.40 121.90 2bw1 s VAL 109 Ca 0.38 1.78 -0.11 0.00 0.00 0.00 0.00 61.98 64.04 2bw1 s VAL 109 Cb 0.21 -4.19 0.10 0.00 0.00 0.00 0.00 36.38 32.50 2bw1 s VAL 109 CO 0.24 0.30 1.11 0.42 0.00 0.00 0.00 175.10 177.17 2bw1 s THR 110 N 0.27 2.84 0.21 3.92 -4.23 -1.26 -4.57 115.64 112.82 2bw1 s THR 110 Ca 0.43 0.27 -0.10 0.00 -1.18 0.00 0.00 61.69 61.11 2bw1 s THR 110 Cb -0.21 -2.61 0.15 0.00 1.34 0.00 0.00 72.50 71.18 2bw1 s THR 110 CO 0.25 -0.36 1.87 0.40 -0.54 0.00 0.00 174.62 176.24 2bw1 h ILE 111 N -1.44 1.17 -0.48 2.99 1.08 -1.91 -0.88 117.51 118.04 2bw1 h ILE 111 Ca -0.44 -0.34 0.08 0.00 -0.39 0.00 0.00 64.86 63.77 2bw1 h ILE 111 Cb 1.25 0.10 -0.07 0.00 -3.07 0.00 0.00 36.82 35.03 2bw1 h ILE 111 CO 0.49 0.18 0.10 -0.33 -0.69 0.00 0.00 178.15 177.89 2bw1 h GLU 112 N 0.99 0.22 -0.35 2.37 3.07 -1.96 0.11 114.58 119.03 2bw1 h GLU 112 Ca 0.28 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 59.05 2bw1 h GLU 112 Cb -0.08 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 2bw1 h GLU 112 CO -0.07 0.15 -0.07 0.93 -1.40 0.00 0.00 179.01 178.55 2bw1 h GLU 113 N 0.23 0.67 -0.12 2.33 5.08 -1.81 -2.01 114.58 118.97 2bw1 h GLU 113 Ca 0.24 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2bw1 h GLU 113 Cb 0.32 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2bw1 h GLU 113 CO -0.31 0.82 0.07 1.96 -1.00 0.00 0.00 179.01 180.55 2bw1 h GLN 114 N 0.47 0.14 -0.69 2.33 1.08 -0.71 -0.65 115.11 117.07 2bw1 h GLN 114 Ca 0.09 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 2bw1 h GLN 114 Cb 0.57 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 2bw1 h GLN 114 CO 0.03 0.09 0.33 -0.07 -0.95 0.00 0.00 178.83 178.26 2bw1 h LEU 115 N 0.14 0.89 -1.09 1.46 3.38 -0.79 -1.08 115.31 118.22 2bw1 h LEU 115 Ca 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2bw1 h LEU 115 Cb -0.00 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2bw1 h LEU 115 CO -0.02 0.76 0.42 0.00 0.09 0.00 0.00 178.44 179.69 2bw1 h ALA 116 N 1.37 1.31 -0.36 1.53 0.00 -1.00 0.54 119.26 122.66 2bw1 h ALA 116 Ca 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2bw1 h ALA 116 Cb 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2bw1 h ALA 116 CO -0.03 0.57 0.16 -0.09 0.00 0.00 0.00 179.25 179.85 2bw1 h ARG 117 N 1.06 0.52 -0.43 0.00 2.43 -0.06 -1.02 114.38 116.89 2bw1 h ARG 117 Ca 0.27 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2bw1 h ARG 117 Cb 0.02 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2bw1 h ARG 117 CO -0.04 0.49 0.28 0.28 -1.51 0.00 0.00 179.97 179.46 2bw1 h VAL 118 N 0.43 1.12 -0.75 0.20 2.07 -0.73 -1.93 116.25 116.66 2bw1 h VAL 118 Ca 0.12 -0.23 0.12 0.00 0.82 0.00 0.00 66.70 67.54 2bw1 h VAL 118 Cb 0.15 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 30.34 2bw1 h VAL 118 CO -0.01 0.11 0.34 0.58 0.02 0.00 0.00 177.57 178.61 2bw1 h VAL 119 N 0.57 0.74 -0.64 2.57 2.07 -0.59 -0.08 116.25 120.89 2bw1 h VAL 119 Ca 0.16 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 2bw1 h VAL 119 Cb -0.05 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.86 2bw1 h VAL 119 CO -0.03 0.10 0.17 -0.33 0.02 0.00 0.00 177.57 177.49 2bw1 h GLU 120 N 0.53 1.02 -0.28 1.57 5.08 -0.64 0.15 114.58 122.00 2bw1 h GLU 120 Ca 0.40 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2bw1 h GLU 120 Cb 0.54 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2bw1 h GLU 120 CO -0.35 0.91 0.18 0.28 -1.00 0.00 0.00 179.01 179.03 2bw1 h VAL 121 N 0.94 1.09 -0.58 3.13 2.07 -0.74 -1.89 116.25 120.27 2bw1 h VAL 121 Ca 0.20 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2bw1 h VAL 121 Cb 0.34 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2bw1 h VAL 121 CO -0.00 0.09 0.14 -0.26 0.02 0.00 0.00 177.57 177.56 2bw1 h PHE 122 N 0.37 0.97 -0.82 1.57 -1.00 -0.56 -0.13 116.94 117.33 2bw1 h PHE 122 Ca 0.10 -0.12 0.04 0.00 2.81 0.00 0.00 57.97 60.80 2bw1 h PHE 122 Cb -0.00 -0.27 -0.05 0.00 3.61 0.00 0.00 35.95 39.23 2bw1 h PHE 122 CO -0.05 0.83 0.52 0.00 -1.61 0.00 0.00 178.31 178.01 2bw1 h ARG 123 N 0.83 0.98 -0.16 1.51 3.08 -0.58 0.58 114.38 120.61 2bw1 h ARG 123 Ca 0.18 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 2bw1 h ARG 123 Cb 0.35 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2bw1 h ARG 123 CO 0.00 0.65 0.10 -0.92 -1.07 0.00 0.00 179.97 178.73 2bw1 h TYR 124 N 1.01 0.21 -0.82 3.04 3.20 -0.95 -1.88 116.97 120.79 2bw1 h TYR 124 Ca 0.33 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.17 2bw1 h TYR 124 Cb 0.03 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 2bw1 h TYR 124 CO -0.03 0.16 0.37 -0.07 -1.64 0.00 0.00 178.16 176.96 2bw1 h LEU 125 N 0.20 1.10 -0.81 2.82 3.38 -0.59 -0.71 115.31 120.70 2bw1 h LEU 125 Ca 0.06 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2bw1 h LEU 125 Cb 0.01 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 2bw1 h LEU 125 CO -0.01 0.95 0.38 0.00 0.09 0.00 0.00 178.44 179.85 2bw1 h ALA 126 N 1.20 1.04 -0.57 1.53 0.00 -0.74 0.23 119.26 121.95 2bw1 h ALA 126 Ca 0.28 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2bw1 h ALA 126 Cb 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2bw1 h ALA 126 CO -0.03 0.62 0.20 0.00 0.00 0.00 0.00 179.25 180.03 2bw1 h ALA 127 N 1.20 0.75 -0.60 0.00 0.00 -0.96 -0.90 119.26 118.75 2bw1 h ALA 127 Ca 0.28 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2bw1 h ALA 127 Cb 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2bw1 h ALA 127 CO -0.03 0.40 0.21 1.25 0.00 0.00 0.00 179.25 181.07 2bw1 h LEU 128 N 0.80 0.87 -1.36 0.00 5.85 -0.69 -2.06 115.31 118.71 2bw1 h LEU 128 Ca 0.19 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 2bw1 h LEU 128 Cb 0.26 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2bw1 h LEU 128 CO -0.01 0.83 -0.32 -0.26 -0.34 0.00 0.00 178.44 178.34 2bw1 h PHE 129 N 0.85 0.00 -0.42 1.25 0.05 -0.75 -0.46 116.94 117.46 2bw1 h PHE 129 Ca 0.20 0.00 -0.09 0.00 3.82 0.00 0.00 57.97 61.90 2bw1 h PHE 129 Cb 0.26 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.20 2bw1 h PHE 129 CO 0.02 0.32 -0.08 0.37 -0.18 0.00 0.00 178.31 178.76 2bw1 h GLN 130 N 0.00 0.79 -0.41 1.51 5.75 -0.77 0.99 115.11 122.96 2bw1 h GLN 130 Ca -0.00 -0.29 0.04 0.00 -0.15 0.00 0.00 58.65 58.25 2bw1 h GLN 130 Cb 0.58 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.03 2bw1 h GLN 130 CO 0.04 0.91 0.17 0.87 -2.65 0.00 0.00 178.83 178.17 2bw1 h LYS 131 N 0.61 0.35 -0.85 1.69 1.57 -0.87 0.74 116.57 119.82 2bw1 h LYS 131 Ca 0.11 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2bw1 h LYS 131 Cb 0.60 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 2bw1 h LYS 131 CO 0.04 0.23 0.48 0.78 -0.57 0.00 0.00 179.45 180.41 2bw1 h GLY 132 N 0.36 1.25 1.00 3.86 0.00 -0.84 0.18 103.07 108.88 2bw1 h GLY 132 Ca 0.19 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2bw1 h GLY 132 CO -0.16 0.53 0.09 -2.75 0.00 0.00 0.00 176.54 174.25 2bw1 h PHE 133 N 1.17 0.17 -0.39 5.60 3.57 -0.23 -0.97 116.94 125.86 2bw1 h PHE 133 Ca 0.30 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 2bw1 h PHE 133 Cb 0.00 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2bw1 h PHE 133 CO 0.00 0.11 0.14 -0.44 -2.23 0.00 0.00 178.31 175.89 2bw1 h ASP 134 N 0.19 0.55 -0.13 0.41 3.32 0.09 -1.72 116.42 119.13 2bw1 h ASP 134 Ca 0.05 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 2bw1 h ASP 134 Cb -0.02 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2bw1 h ASP 134 CO -0.01 0.60 0.04 0.58 -1.72 0.00 0.00 179.24 178.72 2bw1 h VAL 135 N 0.48 1.18 -0.29 -1.35 2.07 -0.63 -2.11 116.25 115.61 2bw1 h VAL 135 Ca 0.13 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 2bw1 h VAL 135 Cb 0.23 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2bw1 h VAL 135 CO -0.01 0.17 -0.19 0.77 0.02 0.00 0.00 177.57 178.33 2bw1 h SER 136 N 0.02 0.52 -0.31 0.57 4.64 -1.11 -2.08 113.55 115.80 2bw1 h SER 136 Ca 0.04 -0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 2bw1 h SER 136 Cb 0.23 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 2bw1 h SER 136 CO -0.00 0.72 0.02 -0.78 -0.87 0.00 0.00 176.83 175.92 2bw1 h ASP 137 N 0.47 0.52 -0.69 4.97 3.58 -1.22 0.10 116.42 124.16 2bw1 h ASP 137 Ca 0.08 -0.29 -0.04 0.00 0.42 0.00 0.00 57.03 57.20 2bw1 h ASP 137 Cb 0.59 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 2bw1 h ASP 137 CO 0.04 0.68 0.29 -0.08 -2.88 0.00 0.00 179.24 177.29 2bw1 h GLU 138 N 0.35 1.05 0.00 0.28 4.57 -1.12 -1.77 114.58 117.93 2bw1 h GLU 138 Ca 0.09 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 2bw1 h GLU 138 Cb 0.40 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2bw1 h GLU 138 CO 0.01 0.85 -0.14 0.93 -1.18 0.00 0.00 179.01 179.48 2bw1 h GLU 139 N 1.03 0.00 0.00 1.92 5.08 -1.20 -3.47 114.58 117.94 2bw1 h GLU 139 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2bw1 h GLU 139 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2bw1 h GLU 139 CO -0.02 0.14 0.00 0.41 -1.00 0.00 0.00 179.01 178.53 2bw1 n GLY 140 N -0.41 0.49 3.52 -3.84 0.00 -0.58 -4.98 105.19 99.39 2bw1 n GLY 140 Ca -0.01 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 2bw1 n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bw1 s ASP 141 N -2.19 6.85 0.25 1.61 -1.08 0.25 -4.83 116.67 117.53 2bw1 s ASP 141 Ca 0.00 -2.47 0.06 0.00 -0.52 0.00 0.00 52.55 49.62 2bw1 s ASP 141 Cb 0.00 -2.49 0.28 0.00 -1.46 0.00 0.00 42.92 39.25 2bw1 s ASP 141 CO 0.00 -1.05 1.58 0.77 0.52 0.00 0.00 175.17 176.99 2bw1 h SER 142 N 7.87 0.19 -0.21 -0.34 4.64 -1.94 -1.26 113.55 122.50 2bw1 h SER 142 Ca 0.33 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 2bw1 h SER 142 Cb 0.91 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 2bw1 h SER 142 CO 1.33 0.75 0.09 0.58 -0.87 0.00 0.00 176.83 178.71 2bw1 h VAL 143 N 0.13 1.16 -0.53 0.95 2.07 -1.96 -1.52 116.25 116.54 2bw1 h VAL 143 Ca -0.01 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 2bw1 h VAL 143 Cb 1.10 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2bw1 h VAL 143 CO 0.09 0.15 -0.04 0.74 0.02 0.00 0.00 177.57 178.53 2bw1 h THR 144 N 0.19 1.26 -0.50 2.57 2.02 -1.92 -2.62 112.91 113.90 2bw1 h THR 144 Ca 0.07 -1.15 0.07 0.00 0.77 0.00 0.00 66.41 66.17 2bw1 h THR 144 Cb 0.16 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 2bw1 h THR 144 CO -0.01 0.41 0.17 -1.13 0.37 0.00 0.00 175.52 175.34 2bw1 h ASN 145 N 0.86 0.17 -0.31 4.18 -0.73 -0.95 -2.15 115.58 116.65 2bw1 h ASN 145 Ca 0.15 0.06 -0.07 0.00 1.87 0.00 0.00 56.30 58.31 2bw1 h ASN 145 Cb 0.57 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.19 2bw1 h ASN 145 CO 0.03 0.12 -0.03 -0.78 -0.37 0.00 0.00 177.43 176.41 2bw1 h ASP 146 N 0.35 0.65 -0.25 1.15 1.82 -1.01 -1.27 116.42 117.86 2bw1 h ASP 146 Ca 0.24 -0.15 0.03 0.00 -0.39 0.00 0.00 57.03 56.76 2bw1 h ASP 146 Cb 0.26 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.08 2bw1 h ASP 146 CO -0.25 0.73 0.07 0.40 -1.61 0.00 0.00 179.24 178.59 2bw1 h ILE 147 N 0.63 0.92 -0.68 2.25 2.04 -1.04 -0.50 117.51 121.13 2bw1 h ILE 147 Ca 0.12 -0.06 -0.08 0.00 1.00 0.00 0.00 64.86 65.84 2bw1 h ILE 147 Cb 0.44 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2bw1 h ILE 147 CO 0.02 0.03 0.12 -0.26 0.00 0.00 0.00 178.15 178.06 2bw1 h PHE 148 N 0.18 1.19 -0.08 1.37 -1.00 -1.26 -2.37 116.94 114.96 2bw1 h PHE 148 Ca 0.11 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 2bw1 h PHE 148 Cb 0.09 -0.33 -0.00 0.00 3.61 0.00 0.00 35.95 39.32 2bw1 h PHE 148 CO -0.14 0.99 0.03 -0.97 -1.61 0.00 0.00 178.31 176.61 2bw1 h ASN 149 N 1.05 0.12 -0.45 2.17 -1.24 -0.80 -1.05 115.58 115.39 2bw1 h ASN 149 Ca 0.21 -0.20 0.05 0.00 0.71 0.00 0.00 56.30 57.06 2bw1 h ASN 149 Cb 0.43 -0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.41 2bw1 h ASN 149 CO 0.01 0.29 0.19 0.58 -1.29 0.00 0.00 177.43 177.21 2bw1 h VAL 150 N -0.05 0.92 -0.36 2.57 2.07 -1.10 -0.90 116.25 119.39 2bw1 h VAL 150 Ca 0.03 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2bw1 h VAL 150 Cb 0.21 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2bw1 h VAL 150 CO -0.00 0.07 0.09 0.00 0.02 0.00 0.00 177.57 177.75 2bw1 h ALA 151 N 1.26 0.48 -0.36 1.67 0.00 -1.39 -2.81 119.26 118.10 2bw1 h ALA 151 Ca 0.20 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2bw1 h ALA 151 Cb 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2bw1 h ALA 151 CO -0.17 0.14 0.12 -0.22 0.00 0.00 0.00 179.25 179.13 2bw1 h LYS 152 N 0.44 0.26 -0.33 0.00 3.64 -0.91 -1.71 116.57 117.95 2bw1 h LYS 152 Ca 0.11 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2bw1 h LYS 152 Cb 0.29 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 2bw1 h LYS 152 CO 0.00 0.18 -0.02 0.00 -2.27 0.00 0.00 179.45 177.33 2bw1 h ALA 153 N 1.24 0.28 -0.41 5.00 0.00 -1.04 0.34 119.26 124.67 2bw1 h ALA 153 Ca 0.17 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 2bw1 h ALA 153 Cb 0.15 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2bw1 h ALA 153 CO -0.17 -0.42 -0.34 1.03 0.00 0.00 0.00 179.25 179.35 2bw1 h SER 154 N 0.07 1.00 -0.66 0.00 0.87 -1.33 -2.30 113.55 111.21 2bw1 h SER 154 Ca 0.16 -0.45 -0.05 0.00 -1.23 0.00 0.00 61.79 60.23 2bw1 h SER 154 Cb 0.23 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 2bw1 h SER 154 CO -0.29 1.24 0.23 0.40 -0.53 0.00 0.00 176.83 177.88 2bw1 h ILE 155 N 0.78 1.25 -0.70 2.23 1.08 -1.10 -1.98 117.51 119.07 2bw1 h ILE 155 Ca 0.07 -0.81 0.02 0.00 -0.39 0.00 0.00 64.86 63.75 2bw1 h ILE 155 Cb 0.93 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 2bw1 h ILE 155 CO 0.09 0.32 0.46 -0.33 -0.69 0.00 0.00 178.15 178.00 2bw1 h GLU 156 N 0.95 0.88 -0.41 2.37 5.08 -0.86 -1.50 114.58 121.09 2bw1 h GLU 156 Ca 0.22 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 2bw1 h GLU 156 Cb 0.26 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2bw1 h GLU 156 CO -0.01 0.58 -0.24 -0.22 -1.00 0.00 0.00 179.01 178.13 2bw1 h LYS 157 N 0.91 0.84 -0.51 2.33 3.64 -1.06 -2.39 116.57 120.33 2bw1 h LYS 157 Ca 0.26 -0.35 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 2bw1 h LYS 157 Cb -0.05 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2bw1 h LYS 157 CO -0.06 0.99 0.02 0.45 -2.27 0.00 0.00 179.45 178.58 2bw1 h HIS 158 N 0.73 0.90 -0.87 1.91 3.86 -0.90 -2.39 115.15 118.39 2bw1 h HIS 158 Ca 0.10 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 59.21 2bw1 h HIS 158 Cb 0.77 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.95 2bw1 h HIS 158 CO 0.04 0.81 0.56 0.82 0.86 0.00 0.00 177.93 181.03 2bw1 h ILE 159 N 0.79 1.16 -0.08 2.45 2.04 -1.03 0.84 117.51 123.68 2bw1 h ILE 159 Ca 0.16 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.65 2bw1 h ILE 159 Cb 0.45 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2bw1 h ILE 159 CO 0.02 0.20 -0.03 -0.25 0.00 0.00 0.00 178.15 178.09 2bw1 h TRP 160 N 1.11 -0.07 -0.36 1.37 7.01 -1.03 0.15 115.95 124.13 2bw1 h TRP 160 Ca 0.34 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 61.24 2bw1 h TRP 160 Cb -0.02 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 2bw1 h TRP 160 CO -0.02 -0.05 -0.19 0.52 -2.79 0.00 0.00 178.44 175.92 2bw1 h MET 161 N -0.02 0.77 -0.07 2.65 0.00 -1.01 0.87 114.93 118.13 2bw1 h MET 161 Ca 0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 59.70 59.40 2bw1 h MET 161 Cb 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 31.60 31.66 2bw1 h MET 161 CO -0.09 0.96 0.04 -0.07 0.00 0.00 0.00 176.91 177.74 2bw1 h LEU 162 N 0.56 0.09 -0.74 1.22 3.38 -0.73 -0.72 115.31 118.36 2bw1 h LEU 162 Ca 0.08 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.06 2bw1 h LEU 162 Cb 0.73 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 2bw1 h LEU 162 CO 0.06 0.12 0.42 1.56 0.09 0.00 0.00 178.44 180.68 2bw1 h GLN 163 N 0.04 0.72 -0.19 1.13 1.08 -0.87 -2.03 115.11 115.00 2bw1 h GLN 163 Ca 0.02 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.20 2bw1 h GLN 163 Cb 0.05 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 2bw1 h GLN 163 CO -0.00 0.48 0.05 0.00 -0.95 0.00 0.00 178.83 178.41 2bw1 h ALA 164 N 1.39 0.20 -0.96 3.87 0.00 -0.42 -0.28 119.26 123.06 2bw1 h ALA 164 Ca 0.34 0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.47 2bw1 h ALA 164 Cb 0.25 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.95 2bw1 h ALA 164 CO -0.21 -0.38 0.55 1.49 0.00 0.00 0.00 179.25 180.70 2bw1 h GLU 165 N 0.14 0.63 -0.03 0.00 4.57 -0.84 0.60 114.58 119.65 2bw1 h GLU 165 Ca 0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2bw1 h GLU 165 Cb 0.06 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 2bw1 h GLU 165 CO -0.09 0.42 0.00 1.28 -1.18 0.00 0.00 179.01 179.44 2bw1 n LEU 166 N -4.85 0.29 -0.78 1.64 4.77 -0.59 -4.90 117.00 112.58 2bw1 n LEU 166 Ca 0.23 -0.12 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 2bw1 n LEU 166 Cb 0.59 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2bw1 n LEU 166 CO 0.19 0.06 -0.09 0.61 -1.33 0.00 0.00 177.39 176.83 2bw1 n GLY 167 N 0.83 0.13 3.35 -0.72 0.00 0.20 -5.03 105.19 103.96 2bw1 n GLY 167 Ca 0.13 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 2bw1 n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bw1 s GLN 168 N -4.24 1.36 0.69 1.61 -0.21 -0.24 -5.01 119.66 113.61 2bw1 s GLN 168 Ca 0.00 -1.66 -0.11 0.00 0.02 0.00 0.00 55.36 53.61 2bw1 s GLN 168 Cb 0.00 -0.88 0.01 0.00 1.00 0.00 0.00 33.01 33.13 2bw1 s GLN 168 CO 0.00 0.03 1.06 0.00 -2.12 0.00 0.00 175.29 174.26 2bw1 s ALA 169 N -3.19 2.65 0.35 6.09 0.00 -1.26 -3.30 121.76 123.10 2bw1 s ALA 169 Ca 0.26 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.39 2bw1 s ALA 169 Cb 0.03 -3.19 0.63 0.00 0.00 0.00 0.00 23.12 20.59 2bw1 s ALA 169 CO 0.08 -1.21 1.97 -1.35 0.00 0.00 0.00 175.76 175.25 2bw1 h PRO 170 N -0.58 0.74 -6.06 0.00 0.11 -1.87 -3.46 132.00 120.88 2bw1 h PRO 170 Ca -0.44 -0.08 -0.42 0.00 0.11 0.00 0.00 66.00 65.18 2bw1 h PRO 170 Cb 1.21 -0.15 0.06 0.00 0.11 0.00 0.00 31.00 32.23 2bw1 h PRO 170 CO 0.56 0.55 -0.80 1.63 -0.21 0.00 0.00 178.00 179.73 2bw1 n LYS 171 N -4.40 -5.40 0.00 1.05 5.02 -1.26 -4.86 118.16 108.31 2bw1 n LYS 171 Ca 0.05 0.66 0.05 0.00 -2.02 0.00 0.00 58.31 57.05 2bw1 n LYS 171 Cb 0.10 -5.36 0.31 0.00 -0.02 0.00 0.00 35.03 30.07 2bw1 n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16