#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bwk s GLU 9 N 0.00 4.31 0.68 -0.72 2.12 -1.26 -2.41 118.70 121.41 3bwk s GLU 9 Ca 0.00 0.65 0.02 0.00 0.36 0.00 0.00 54.97 56.00 3bwk s GLU 9 Cb 0.00 -3.51 0.12 0.00 0.26 0.00 0.00 34.13 31.00 3bwk s GLU 9 CO 0.00 -0.06 0.94 0.00 -0.54 0.00 0.00 175.26 175.59 3bwk s ALA 10 N 1.31 3.98 -0.11 6.30 0.00 -0.40 -4.96 121.76 127.88 3bwk s ALA 10 Ca 0.31 -1.85 -0.02 0.00 0.00 0.00 0.00 51.96 50.40 3bwk s ALA 10 Cb -0.16 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 3bwk s ALA 10 CO 0.12 -1.29 -0.01 0.54 0.00 0.00 0.00 175.76 175.12 3bwk s ASN 11 N -4.72 5.12 0.15 0.00 2.20 -1.26 -4.45 114.94 111.98 3bwk s ASN 11 Ca 0.65 0.07 -0.17 0.00 -0.94 0.00 0.00 52.86 52.47 3bwk s ASN 11 Cb -0.05 -1.55 -0.00 0.00 -2.00 0.00 0.00 41.25 37.65 3bwk s ASN 11 CO 0.43 0.32 1.80 0.22 -2.94 0.00 0.00 177.10 176.93 3bwk h TYR 12 N 5.61 0.42 -0.84 1.54 3.20 -1.97 -1.44 116.97 123.49 3bwk h TYR 12 Ca -0.45 0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.54 3bwk h TYR 12 Cb 1.19 -0.14 -0.08 0.00 1.54 0.00 0.00 36.73 39.23 3bwk h TYR 12 CO 0.60 0.26 0.47 0.93 -1.64 0.00 0.00 178.16 178.78 3bwk h GLU 13 N 0.46 0.71 -0.16 1.82 5.08 -1.95 0.18 114.58 120.72 3bwk h GLU 13 Ca 0.13 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 3bwk h GLU 13 Cb -0.04 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.05 3bwk h GLU 13 CO -0.04 0.47 -0.36 -0.44 -1.00 0.00 0.00 179.01 177.64 3bwk h ASP 14 N 0.73 0.60 -0.47 1.42 3.32 -1.93 -3.11 116.42 116.98 3bwk h ASP 14 Ca 0.43 -0.56 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 3bwk h ASP 14 Cb 0.48 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3bwk h ASP 14 CO -0.29 1.05 0.13 0.58 -1.72 0.00 0.00 179.24 178.99 3bwk h VAL 15 N 0.17 1.23 0.00 -1.35 2.07 -0.55 -2.75 116.25 115.07 3bwk h VAL 15 Ca 0.00 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 3bwk h VAL 15 Cb 0.96 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3bwk h VAL 15 CO 0.08 0.28 -0.30 -0.29 0.02 0.00 0.00 177.57 177.37 3bwk h ILE 16 N 0.63 0.96 -0.36 4.57 6.09 -0.77 -2.07 117.51 126.56 3bwk h ILE 16 Ca 0.15 -1.12 -0.02 0.00 -1.37 0.00 0.00 64.86 62.50 3bwk h ILE 16 Cb 0.30 1.65 -0.02 0.00 0.47 0.00 0.00 36.82 39.22 3bwk h ILE 16 CO -0.00 0.29 0.14 0.11 -3.07 0.00 0.00 178.15 175.62 3bwk h LYS 17 N 0.00 0.54 -0.13 2.19 1.57 -1.43 -0.75 116.57 118.57 3bwk h LYS 17 Ca -0.00 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 3bwk h LYS 17 Cb 0.63 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3bwk h LYS 17 CO 0.04 0.54 -0.43 -0.22 -0.57 0.00 0.00 179.45 178.80 3bwk h LYS 18 N 0.43 0.30 0.02 3.15 3.64 -1.15 -3.35 116.57 119.61 3bwk h LYS 18 Ca 0.12 -0.15 -0.36 0.00 -1.27 0.00 0.00 60.65 58.99 3bwk h LYS 18 Cb 0.20 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 3bwk h LYS 18 CO -0.01 0.68 -2.22 0.66 -2.27 0.00 0.00 179.45 176.29 3bwk n TYR 19 N -4.01 0.40 -2.66 1.91 4.02 -0.83 -4.83 117.16 111.16 3bwk n TYR 19 Ca -0.02 0.11 -0.43 0.00 -0.01 0.00 0.00 57.90 57.56 3bwk n TYR 19 Cb 0.50 -1.06 -0.02 0.00 -0.02 0.00 0.00 39.34 38.74 3bwk n TYR 19 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3bwk s LYS 20 N -2.53 4.29 0.56 -0.72 2.20 -0.29 -4.94 119.74 118.31 3bwk s LYS 20 Ca -0.18 1.37 -0.21 0.00 -0.36 0.00 0.00 55.97 56.60 3bwk s LYS 20 Cb 0.07 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 3bwk s LYS 20 CO 0.75 -0.56 1.21 -2.30 -0.36 0.00 0.00 175.35 174.09 3bwk n PRO 21 N 6.04 1.38 -1.96 4.03 -0.02 -1.26 -4.84 135.00 138.37 3bwk n PRO 21 Ca 0.11 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 3bwk n PRO 21 Cb 0.47 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 3bwk n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bwk s ALA 22 N -1.35 3.59 0.00 3.55 0.00 -1.26 -2.78 121.76 123.50 3bwk s ALA 22 Ca 0.73 1.40 0.00 0.00 0.00 0.00 0.00 51.96 54.10 3bwk s ALA 22 Cb -0.43 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.13 3bwk s ALA 22 CO 0.48 -0.83 0.00 -0.25 0.00 0.00 0.00 175.76 175.17 3bwk n ASP 23 N 1.37 -1.55 -4.77 0.00 8.00 -1.26 -5.00 116.55 113.34 3bwk n ASP 23 Ca 0.03 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.13 3bwk n ASP 23 Cb 0.40 -1.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.10 3bwk n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bwk s ALA 24 N -2.26 3.50 -0.07 2.24 0.00 -1.12 -5.04 121.76 119.01 3bwk s ALA 24 Ca 0.00 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.24 3bwk s ALA 24 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3bwk s ALA 24 CO 0.00 -0.63 -0.17 0.15 0.00 0.00 0.00 175.76 175.12 3bwk s LYS 25 N -1.68 2.71 -0.15 0.00 1.02 -1.26 -5.00 119.74 115.38 3bwk s LYS 25 Ca 0.49 -0.75 -0.29 0.00 0.02 0.00 0.00 55.97 55.44 3bwk s LYS 25 Cb -0.39 -2.38 -0.00 0.00 -0.52 0.00 0.00 37.83 34.53 3bwk s LYS 25 CO 0.52 0.47 1.02 -1.17 -0.92 0.00 0.00 175.35 175.27 3bwk s LEU 26 N -0.34 4.20 -0.41 3.17 2.96 -1.26 -5.00 118.68 122.00 3bwk s LEU 26 Ca 0.03 1.48 -0.29 0.00 -0.22 0.00 0.00 54.13 55.13 3bwk s LEU 26 Cb -0.13 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.04 3bwk s LEU 26 CO 0.02 -0.52 1.15 -0.62 -1.32 0.00 0.00 176.35 175.06 3bwk s ASP 27 N 1.14 6.71 0.00 3.68 -1.08 -1.26 -4.91 116.67 120.95 3bwk s ASP 27 Ca 0.47 0.74 0.26 0.00 -0.52 0.00 0.00 52.55 53.49 3bwk s ASP 27 Cb -0.17 -2.55 0.64 0.00 -1.46 0.00 0.00 42.92 39.38 3bwk s ASP 27 CO 0.14 -1.13 1.50 0.54 0.52 0.00 0.00 175.17 176.73 3bwk n ARG 28 N 7.51 0.31 -0.04 4.34 1.74 -1.26 -4.31 116.66 124.95 3bwk n ARG 28 Ca 0.13 -0.18 -0.14 0.00 -0.77 0.00 0.00 57.85 56.89 3bwk n ARG 28 Cb 0.48 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.31 3bwk n ARG 28 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3bwk h ILE 29 N 0.44 1.56 -2.06 0.55 1.08 -1.91 -3.48 117.51 113.69 3bwk h ILE 29 Ca 0.00 -1.67 -0.04 0.00 -0.39 0.00 0.00 64.86 62.76 3bwk h ILE 29 Cb 0.50 2.69 -0.21 0.00 -3.07 0.00 0.00 36.82 36.72 3bwk h ILE 29 CO 0.00 0.44 0.09 0.00 -0.69 0.00 0.00 178.15 177.98 3bwk s ALA 30 N -3.38 -1.73 -0.29 1.87 0.00 -1.26 -3.34 121.76 113.63 3bwk s ALA 30 Ca -0.17 2.01 -0.16 0.00 0.00 0.00 0.00 51.96 53.64 3bwk s ALA 30 Cb -0.00 -1.17 0.12 0.00 0.00 0.00 0.00 23.12 22.07 3bwk s ALA 30 CO 0.69 -0.33 0.85 -0.47 0.00 0.00 0.00 175.76 176.50 3bwk s TYR 31 N 0.53 -0.79 -0.20 0.00 5.04 0.27 -4.94 117.35 117.25 3bwk s TYR 31 Ca -0.01 1.57 -0.01 0.00 -2.44 0.00 0.00 57.07 56.18 3bwk s TYR 31 Cb -0.05 0.47 0.06 0.00 0.35 0.00 0.00 41.96 42.79 3bwk s TYR 31 CO -0.02 -0.39 -0.01 0.34 -1.34 0.00 0.00 175.55 174.13 3bwk s ASP 32 N 1.50 3.24 0.56 4.32 -1.08 -1.26 -0.38 116.67 123.56 3bwk s ASP 32 Ca -0.09 -0.93 0.37 0.00 -0.52 0.00 0.00 52.55 51.38 3bwk s ASP 32 Cb -0.04 -0.86 1.81 0.00 -1.46 0.00 0.00 42.92 42.36 3bwk s ASP 32 CO -0.17 -0.26 2.11 -0.50 0.52 0.00 0.00 175.17 176.87 3bwk h TRP 33 N 8.12 0.00 -0.19 -5.34 4.06 -1.73 -2.45 115.95 118.42 3bwk h TRP 33 Ca -0.18 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.71 3bwk h TRP 33 Cb 1.10 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.25 3bwk h TRP 33 CO 0.39 0.00 -0.14 0.00 -3.56 0.00 0.00 178.44 175.13 3bwk h ARG 34 N 0.00 0.30 0.00 0.49 3.08 -1.90 0.12 114.38 116.47 3bwk h ARG 34 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3bwk h ARG 34 Cb 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3bwk h ARG 34 CO 0.00 0.45 0.00 -0.07 -1.07 0.00 0.00 179.97 179.28 3bwk h LEU 35 N 0.28 0.00 -2.93 3.04 3.38 -1.85 -3.38 115.31 113.86 3bwk h LEU 35 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3bwk h LEU 35 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3bwk h LEU 35 CO 0.02 0.00 -0.16 1.41 0.09 0.00 0.00 178.44 179.80 3bwk n HIS 36 N -3.06 0.00 -0.60 1.13 8.25 -0.93 -4.98 115.22 115.03 3bwk n HIS 36 Ca 0.04 -1.03 0.00 0.00 -0.26 0.00 0.00 57.72 56.47 3bwk n HIS 36 Cb 0.52 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.46 3bwk n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bwk n GLY 37 N -1.23 0.63 0.02 -1.41 0.00 -1.00 -4.98 105.19 97.22 3bwk n GLY 37 Ca 0.15 -0.65 0.03 0.00 0.00 0.00 0.00 46.02 45.56 3bwk n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwk n GLY 38 N -2.60 3.56 2.84 -0.02 0.00 0.37 -3.89 105.19 105.45 3bwk n GLY 38 Ca 0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 3bwk n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bwk s VAL 39 N -1.59 -0.12 0.36 1.61 1.01 -1.24 -4.48 120.40 115.96 3bwk s VAL 39 Ca 0.10 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.35 3bwk s VAL 39 Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 3bwk s VAL 39 CO 0.01 0.11 0.57 0.42 0.00 0.00 0.00 175.10 176.21 3bwk s THR 40 N 1.58 5.02 0.93 3.92 -4.23 -1.26 -4.91 115.64 116.69 3bwk s THR 40 Ca -0.04 -0.42 -0.12 0.00 -1.18 0.00 0.00 61.69 59.93 3bwk s THR 40 Cb -0.12 -3.84 0.07 0.00 1.34 0.00 0.00 72.50 69.95 3bwk s THR 40 CO -0.05 -0.57 0.65 -2.65 -0.54 0.00 0.00 174.62 171.47 3bwk n PRO 41 N -1.84 -0.30 -2.72 3.99 -0.02 -1.26 -4.96 135.00 127.90 3bwk n PRO 41 Ca -0.04 -0.04 -0.37 0.00 -2.02 0.00 0.00 63.50 61.03 3bwk n PRO 41 Cb 0.56 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.96 3bwk n PRO 41 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3bwk s VAL 42 N -2.44 4.06 0.51 -1.45 -7.23 -1.26 -5.06 120.40 107.54 3bwk s VAL 42 Ca 0.61 1.75 0.04 0.00 -1.81 0.00 0.00 61.98 62.57 3bwk s VAL 42 Cb -0.22 -3.99 0.01 0.00 0.56 0.00 0.00 36.38 32.73 3bwk s VAL 42 CO 0.64 0.18 0.22 -0.54 -0.31 0.00 0.00 175.10 175.29 3bwk s LYS 43 N -1.98 2.23 -0.08 4.82 1.02 -1.26 -4.75 119.74 119.74 3bwk s LYS 43 Ca 0.50 -2.13 -0.01 0.00 0.02 0.00 0.00 55.97 54.34 3bwk s LYS 43 Cb -0.21 -1.87 0.03 0.00 -0.52 0.00 0.00 37.83 35.26 3bwk s LYS 43 CO 0.27 -0.45 -0.01 0.34 -0.92 0.00 0.00 175.35 174.58 3bwk s ASP 44 N -4.08 1.69 0.15 2.83 -1.08 -1.26 -1.66 116.67 113.27 3bwk s ASP 44 Ca 0.25 -0.13 0.22 0.00 -0.52 0.00 0.00 52.55 52.37 3bwk s ASP 44 Cb 0.00 -0.49 0.88 0.00 -1.46 0.00 0.00 42.92 41.85 3bwk s ASP 44 CO 0.15 -0.19 1.67 0.00 0.52 0.00 0.00 175.17 177.32 3bwk n GLN 45 N 5.12 0.13 0.00 4.34 10.64 0.31 -4.89 117.38 133.02 3bwk n GLN 45 Ca -0.08 0.29 0.00 0.00 -1.83 0.00 0.00 57.00 55.38 3bwk n GLN 45 Cb 0.50 -1.71 0.00 0.00 -0.86 0.00 0.00 30.24 28.17 3bwk n GLN 45 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3bwk n ALA 46 N -1.66 0.00 -2.44 2.61 0.00 -1.26 -3.80 120.51 113.95 3bwk n ALA 46 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 3bwk n ALA 46 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3bwk n ALA 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3bwk n LEU 47 N 0.00 6.55 -3.66 0.00 0.00 -1.26 -4.83 117.00 113.80 3bwk n LEU 47 Ca 0.00 -4.69 -0.13 0.00 0.00 0.00 0.00 56.01 51.19 3bwk n LEU 47 Cb 0.00 -1.47 -0.08 0.00 0.00 0.00 0.00 43.42 41.88 3bwk n LEU 47 CO 0.00 1.37 0.31 0.00 0.00 0.00 0.00 177.39 179.08 3bwk n GLY 49 N 3.04 4.41 1.82 0.00 0.00 -0.50 -4.60 105.19 109.36 3bwk n GLY 49 Ca -0.15 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3bwk n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bwk n SER 50 N 1.38 4.98 -0.34 1.61 3.41 -1.26 -3.37 113.62 120.03 3bwk n SER 50 Ca 0.53 -3.12 0.17 0.00 -0.26 0.00 0.00 58.87 56.18 3bwk n SER 50 Cb 0.50 -0.70 0.39 0.00 -0.26 0.00 0.00 64.21 64.14 3bwk n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bwk h TRP 52 N 0.62 0.91 -0.12 0.00 5.08 -1.84 0.25 115.95 120.85 3bwk h TRP 52 Ca 0.60 0.02 -0.05 0.00 1.08 0.00 0.00 58.89 60.55 3bwk h TRP 52 Cb 1.14 -0.30 -0.00 0.00 -3.00 0.00 0.00 29.16 27.00 3bwk h TRP 52 CO -0.00 0.46 -0.13 0.00 -1.28 0.00 0.00 178.44 177.49 3bwk h ALA 53 N 1.56 0.17 -0.79 0.11 0.00 -1.29 -2.53 119.26 116.50 3bwk h ALA 53 Ca 0.37 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3bwk h ALA 53 Cb 0.28 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3bwk h ALA 53 CO -0.14 0.04 0.37 0.74 0.00 0.00 0.00 179.25 180.26 3bwk h PHE 54 N -0.11 1.16 -0.23 0.00 -1.00 -1.07 -0.19 116.94 115.50 3bwk h PHE 54 Ca 0.02 -0.06 -0.04 0.00 2.81 0.00 0.00 57.97 60.70 3bwk h PHE 54 Cb 0.66 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 3bwk h PHE 54 CO 0.09 0.85 0.00 1.03 -1.61 0.00 0.00 178.31 178.67 3bwk h SER 55 N 1.13 0.40 0.07 2.17 0.87 -1.00 -0.85 113.55 116.34 3bwk h SER 55 Ca 0.27 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3bwk h SER 55 Cb 0.14 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3bwk h SER 55 CO -0.03 0.61 -0.03 0.77 -0.53 0.00 0.00 176.83 177.61 3bwk h SER 56 N 0.18 -0.08 -0.86 6.23 4.64 -1.34 -2.41 113.55 119.90 3bwk h SER 56 Ca 0.07 -0.50 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3bwk h SER 56 Cb 0.41 0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 3bwk h SER 56 CO 0.01 0.50 0.52 0.58 -0.87 0.00 0.00 176.83 177.58 3bwk h VAL 57 N -0.72 1.24 -0.53 0.95 2.07 -1.11 -2.61 116.25 115.54 3bwk h VAL 57 Ca -0.01 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 3bwk h VAL 57 Cb 0.58 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3bwk h VAL 57 CO 0.02 0.25 0.10 1.23 0.02 0.00 0.00 177.57 179.19 3bwk h GLY 58 N 1.20 0.88 2.00 2.17 0.00 -1.12 -0.27 103.07 107.93 3bwk h GLY 58 Ca 0.31 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 3bwk h GLY 58 CO -0.06 0.49 -0.25 1.48 0.00 0.00 0.00 176.54 178.20 3bwk h SER 59 N 0.79 0.00 0.13 0.19 4.64 -1.05 -0.61 113.55 117.63 3bwk h SER 59 Ca 0.17 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.27 3bwk h SER 59 Cb 0.33 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3bwk h SER 59 CO 0.00 0.25 -0.95 0.58 -0.87 0.00 0.00 176.83 175.84 3bwk h VAL 60 N 0.00 1.43 -0.64 0.95 2.07 -1.19 -2.16 116.25 116.71 3bwk h VAL 60 Ca -0.00 -2.47 0.11 0.00 0.82 0.00 0.00 66.70 65.16 3bwk h VAL 60 Cb 0.52 2.99 -0.08 0.00 -1.52 0.00 0.00 31.29 33.20 3bwk h VAL 60 CO 0.03 0.72 0.20 -0.33 0.02 0.00 0.00 177.57 178.21 3bwk h GLU 61 N -0.14 0.34 -0.65 1.57 5.08 -0.88 -0.83 114.58 119.08 3bwk h GLU 61 Ca -0.16 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3bwk h GLU 61 Cb 1.71 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.85 3bwk h GLU 61 CO 0.18 0.23 0.34 0.77 -1.00 0.00 0.00 179.01 179.53 3bwk h SER 62 N 0.35 0.82 -0.20 1.42 0.02 -1.11 -1.27 113.55 113.59 3bwk h SER 62 Ca 0.34 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3bwk h SER 62 Cb 0.48 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3bwk h SER 62 CO -0.37 0.69 0.10 1.56 -1.14 0.00 0.00 176.83 177.67 3bwk h GLN 63 N 0.89 0.28 -0.94 3.45 1.08 -0.88 -1.50 115.11 117.49 3bwk h GLN 63 Ca 0.23 -0.04 0.08 0.00 -1.45 0.00 0.00 58.65 57.46 3bwk h GLN 63 Cb 0.07 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.38 3bwk h GLN 63 CO -0.03 0.30 0.59 1.88 -0.95 0.00 0.00 178.83 180.62 3bwk h TYR 64 N 0.19 1.09 0.21 2.96 -1.99 -1.07 0.15 116.97 118.52 3bwk h TYR 64 Ca 0.07 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.82 3bwk h TYR 64 Cb 0.11 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 38.49 3bwk h TYR 64 CO -0.03 0.53 -0.11 0.00 -0.00 0.00 0.00 178.16 178.55 3bwk h ALA 65 N 1.46 -0.29 -0.07 3.88 0.00 -1.07 0.17 119.26 123.33 3bwk h ALA 65 Ca 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3bwk h ALA 65 Cb 0.25 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3bwk h ALA 65 CO -0.20 -0.67 0.01 0.82 0.00 0.00 0.00 179.25 179.22 3bwk h ILE 66 N -0.29 1.22 0.12 0.00 2.04 -0.99 0.44 117.51 120.04 3bwk h ILE 66 Ca -0.03 -0.68 -0.27 0.00 1.00 0.00 0.00 64.86 64.89 3bwk h ILE 66 Cb 0.23 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 3bwk h ILE 66 CO 0.04 0.19 -1.21 0.03 0.00 0.00 0.00 178.15 177.20 3bwk h ARG 67 N -0.12 0.27 -0.01 2.37 2.47 -0.78 -3.37 114.38 115.21 3bwk h ARG 67 Ca 0.02 -0.44 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 3bwk h ARG 67 Cb 0.29 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 3bwk h ARG 67 CO 0.00 1.20 -0.73 1.63 0.56 0.00 0.00 179.97 182.64 3bwk n LYS 68 N -3.54 0.88 -3.63 0.04 4.76 0.59 -5.01 118.16 112.25 3bwk n LYS 68 Ca -0.08 -0.38 -0.26 0.00 -2.87 0.00 0.00 58.31 54.73 3bwk n LYS 68 Cb 1.01 -1.42 0.06 0.00 -1.84 0.00 0.00 35.03 32.84 3bwk n LYS 68 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3bwk n LYS 69 N -0.90 -7.01 -3.87 1.97 5.02 0.15 -4.99 118.16 108.53 3bwk n LYS 69 Ca 0.06 0.77 -0.09 0.00 -2.02 0.00 0.00 58.31 57.02 3bwk n LYS 69 Cb 0.36 -5.76 -0.05 0.00 -0.02 0.00 0.00 35.03 29.55 3bwk n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bwk s ALA 70 N -3.29 -0.50 -0.28 7.82 0.00 -1.25 -5.08 121.76 119.18 3bwk s ALA 70 Ca 0.58 -0.58 -0.20 0.00 0.00 0.00 0.00 51.96 51.76 3bwk s ALA 70 Cb -0.27 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 3bwk s ALA 70 CO 0.72 -0.78 0.63 -1.17 0.00 0.00 0.00 175.76 175.17 3bwk s LEU 71 N -2.94 4.11 -0.12 0.00 0.20 -1.26 -3.96 118.68 114.72 3bwk s LEU 71 Ca 0.15 0.55 0.00 0.00 0.69 0.00 0.00 54.13 55.51 3bwk s LEU 71 Cb 0.00 -2.83 -0.02 0.00 -0.43 0.00 0.00 46.19 42.91 3bwk s LEU 71 CO 0.01 -0.44 -0.12 -0.36 -0.29 0.00 0.00 176.35 175.15 3bwk s PHE 72 N 2.57 2.82 -0.21 5.38 0.40 -1.26 -5.08 117.98 122.60 3bwk s PHE 72 Ca 0.26 -0.50 -0.02 0.00 -0.60 0.00 0.00 56.93 56.07 3bwk s PHE 72 Cb -0.15 -1.82 0.01 0.00 0.51 0.00 0.00 43.02 41.57 3bwk s PHE 72 CO 0.10 -0.10 -0.09 -0.51 0.70 0.00 0.00 175.22 175.32 3bwk s LEU 73 N 0.13 2.73 0.42 -0.37 1.43 -1.26 -4.77 118.68 117.00 3bwk s LEU 73 Ca -0.06 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.57 3bwk s LEU 73 Cb -0.15 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3bwk s LEU 73 CO 0.04 -0.03 0.31 -0.36 0.23 0.00 0.00 176.35 176.54 3bwk s PHE 74 N 1.40 2.59 -0.31 0.29 2.99 -1.26 -0.63 117.98 123.05 3bwk s PHE 74 Ca 0.05 -0.55 -0.15 0.00 0.00 0.00 0.00 56.93 56.28 3bwk s PHE 74 Cb -0.14 -2.08 -0.02 0.00 0.00 0.00 0.00 43.02 40.78 3bwk s PHE 74 CO -0.06 -0.04 0.35 0.45 -0.00 0.00 0.00 175.22 175.92 3bwk s SER 75 N -4.06 6.19 0.18 1.36 0.15 -0.09 -4.10 113.70 113.33 3bwk s SER 75 Ca 0.45 -0.03 0.06 0.00 0.70 0.00 0.00 55.95 57.13 3bwk s SER 75 Cb -0.00 -2.19 0.04 0.00 -1.71 0.00 0.00 66.02 62.15 3bwk s SER 75 CO 0.25 -0.26 1.42 -0.33 1.20 0.00 0.00 173.24 175.52 3bwk h GLU 76 N 8.36 0.08 -0.16 5.44 3.07 -1.90 -3.29 114.58 126.17 3bwk h GLU 76 Ca -0.31 -0.09 -0.06 0.00 -0.50 0.00 0.00 59.36 58.41 3bwk h GLU 76 Cb 1.15 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 3bwk h GLU 76 CO 0.66 0.87 -0.15 0.37 -1.40 0.00 0.00 179.01 179.36 3bwk h GLN 77 N 0.04 0.26 -0.12 2.33 5.75 -1.86 -1.57 115.11 119.94 3bwk h GLN 77 Ca -0.02 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 3bwk h GLN 77 Cb 1.46 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.98 3bwk h GLN 77 CO 0.12 0.42 0.07 1.49 -2.65 0.00 0.00 178.83 178.28 3bwk h GLU 78 N 0.25 0.16 0.10 1.69 4.81 -1.82 0.32 114.58 120.08 3bwk h GLU 78 Ca 0.05 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3bwk h GLU 78 Cb 0.42 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3bwk h GLU 78 CO 0.03 0.14 -0.05 -0.07 -0.73 0.00 0.00 179.01 178.33 3bwk h LEU 79 N 0.14 -0.11 -0.73 1.64 3.38 -1.58 0.19 115.31 118.24 3bwk h LEU 79 Ca 0.04 -0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.11 3bwk h LEU 79 Cb 0.01 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.69 3bwk h LEU 79 CO -0.01 -0.03 0.24 0.58 0.09 0.00 0.00 178.44 179.32 3bwk h VAL 80 N -0.18 0.61 -0.03 1.22 2.07 -1.18 0.83 116.25 119.59 3bwk h VAL 80 Ca -0.01 -0.13 -0.24 0.00 0.82 0.00 0.00 66.70 67.14 3bwk h VAL 80 Cb 0.14 0.21 0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3bwk h VAL 80 CO 0.02 0.07 -0.92 0.44 0.02 0.00 0.00 177.57 177.20 3bwk h ASP 81 N 0.37 0.87 -0.00 0.57 5.19 -0.69 -3.37 116.42 119.35 3bwk h ASP 81 Ca 0.40 -0.72 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 3bwk h ASP 81 Cb 0.64 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.89 3bwk h ASP 81 CO -0.44 1.46 -0.23 0.00 -3.12 0.00 0.00 179.24 176.92 3bwk s SER 83 N -1.43 6.31 0.49 0.00 0.15 0.25 -4.86 113.70 114.62 3bwk s SER 83 Ca 0.02 -0.95 0.27 0.00 0.70 0.00 0.00 55.95 55.99 3bwk s SER 83 Cb 0.04 -2.54 1.26 0.00 -1.71 0.00 0.00 66.02 63.07 3bwk s SER 83 CO 0.21 -1.64 1.97 -0.37 1.20 0.00 0.00 173.24 174.61 3bwk h VAL 84 N 6.28 0.51 0.00 4.45 -1.51 -1.91 -2.36 116.25 121.72 3bwk h VAL 84 Ca -0.09 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 3bwk h VAL 84 Cb 1.04 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 3bwk h VAL 84 CO 1.31 0.15 0.00 0.29 -1.23 0.00 0.00 177.57 178.09 3bwk n LYS 85 N -3.48 0.20 -4.04 5.19 5.02 -1.26 -4.81 118.16 114.98 3bwk n LYS 85 Ca -0.01 0.30 -0.28 0.00 -2.02 0.00 0.00 58.31 56.31 3bwk n LYS 85 Cb 0.32 -1.80 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 3bwk n LYS 85 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3bwk s ASN 86 N -4.21 4.54 -0.26 4.39 0.01 -0.89 -4.87 114.94 113.64 3bwk s ASN 86 Ca 0.08 -1.33 0.09 0.00 -0.71 0.00 0.00 52.86 50.99 3bwk s ASN 86 Cb 0.11 0.46 0.45 0.00 0.41 0.00 0.00 41.25 42.68 3bwk s ASN 86 CO 0.48 -1.07 1.20 0.59 -1.51 0.00 0.00 177.10 176.78 3bwk n ASN 87 N -1.69 3.86 0.00 -1.22 3.02 0.21 -4.94 115.26 114.51 3bwk n ASN 87 Ca -0.05 -3.72 0.00 0.00 -0.03 0.00 0.00 54.58 50.78 3bwk n ASN 87 Cb 0.65 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 3bwk n ASN 87 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bwk n GLY 88 N -0.81 3.66 0.13 7.41 0.00 -1.25 -1.46 105.19 112.88 3bwk n GLY 88 Ca 0.35 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.61 3bwk n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bwk n TYR 90 N -2.32 0.07 0.00 0.00 4.02 -0.53 -1.41 117.16 116.98 3bwk n TYR 90 Ca 0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3bwk n TYR 90 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 3bwk n TYR 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bwk n GLY 91 N 1.01 2.08 0.00 2.72 0.00 -1.12 -4.92 105.19 104.95 3bwk n GLY 91 Ca 0.17 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3bwk n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwk n GLY 92 N -0.40 0.91 3.06 -0.02 0.00 -1.26 -0.62 105.19 106.87 3bwk n GLY 92 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 3bwk n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bwk s TYR 93 N -3.80 0.74 0.04 1.61 1.51 -1.26 -4.87 117.35 111.32 3bwk s TYR 93 Ca 0.00 -0.42 -0.23 0.00 -1.01 0.00 0.00 57.07 55.42 3bwk s TYR 93 Cb 0.00 -0.44 -0.15 0.00 -0.11 0.00 0.00 41.96 41.26 3bwk s TYR 93 CO 0.00 -0.05 1.47 0.82 -1.11 0.00 0.00 175.55 176.69 3bwk h ILE 94 N 4.56 1.25 -0.41 2.71 2.04 -1.99 -2.27 117.51 123.38 3bwk h ILE 94 Ca -0.35 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 3bwk h ILE 94 Cb 1.20 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 3bwk h ILE 94 CO 0.42 0.22 0.20 0.71 0.00 0.00 0.00 178.15 179.70 3bwk h THR 95 N -0.11 1.17 -0.68 -0.27 1.35 -1.98 -2.08 112.91 110.31 3bwk h THR 95 Ca 0.03 -0.49 0.02 0.00 -0.55 0.00 0.00 66.41 65.42 3bwk h THR 95 Cb 0.34 0.74 -0.04 0.00 -1.73 0.00 0.00 68.15 67.46 3bwk h THR 95 CO 0.00 0.19 0.45 0.78 -0.25 0.00 0.00 175.52 176.69 3bwk h ASN 96 N 0.53 0.73 -0.20 5.36 4.21 -1.93 -0.77 115.58 123.51 3bwk h ASN 96 Ca 0.14 -0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.58 3bwk h ASN 96 Cb 0.11 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.13 3bwk h ASN 96 CO -0.02 0.51 -0.09 0.00 -1.29 0.00 0.00 177.43 176.54 3bwk h ALA 97 N 1.59 0.28 -0.46 -0.83 0.00 -1.03 -1.11 119.26 117.71 3bwk h ALA 97 Ca 0.26 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3bwk h ALA 97 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3bwk h ALA 97 CO -0.07 0.11 0.22 0.74 0.00 0.00 0.00 179.25 180.25 3bwk h PHE 98 N 0.11 0.66 -0.17 0.00 0.04 -1.02 -1.50 116.94 115.06 3bwk h PHE 98 Ca 0.05 -0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.83 3bwk h PHE 98 Cb 0.58 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.47 3bwk h PHE 98 CO 0.06 0.53 -0.16 -0.44 -0.60 0.00 0.00 178.31 177.70 3bwk h ASP 99 N 0.59 -0.52 -0.36 2.17 3.32 -1.11 -1.92 116.42 118.60 3bwk h ASP 99 Ca 0.16 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3bwk h ASP 99 Cb 0.12 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3bwk h ASP 99 CO -0.02 -0.21 0.14 0.44 -1.72 0.00 0.00 179.24 177.87 3bwk h ASP 100 N -0.19 0.55 -0.79 6.45 3.45 -1.09 0.17 116.42 124.98 3bwk h ASP 100 Ca 0.11 -0.07 0.06 0.00 0.43 0.00 0.00 57.03 57.57 3bwk h ASP 100 Cb 0.35 -0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 38.92 3bwk h ASP 100 CO -0.28 0.53 0.48 0.24 -1.57 0.00 0.00 179.24 178.63 3bwk h MET 101 N 0.60 0.84 0.34 3.56 2.86 -0.78 0.24 114.93 122.60 3bwk h MET 101 Ca 0.14 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3bwk h MET 101 Cb 0.17 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3bwk h MET 101 CO -0.01 0.56 -0.17 0.82 1.06 0.00 0.00 176.91 179.17 3bwk h ILE 102 N 0.87 0.52 -0.34 -1.22 2.04 -0.84 0.14 117.51 118.68 3bwk h ILE 102 Ca 0.35 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3bwk h ILE 102 Cb 0.19 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3bwk h ILE 102 CO -0.18 0.11 0.20 0.44 0.00 0.00 0.00 178.15 178.72 3bwk h ASP 103 N -0.91 0.41 0.74 1.72 3.32 -0.53 -2.16 116.42 118.99 3bwk h ASP 103 Ca -0.05 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3bwk h ASP 103 Cb 0.53 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3bwk h ASP 103 CO 0.08 0.32 0.00 0.18 -1.72 0.00 0.00 179.24 178.09 3bwk n LEU 104 N -4.46 0.00 0.00 1.55 4.77 0.84 -4.92 117.00 114.79 3bwk n LEU 104 Ca 0.02 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3bwk n LEU 104 Cb 0.08 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3bwk n LEU 104 CO 0.35 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3bwk n GLY 105 N 1.18 0.73 0.00 -0.72 0.00 -0.81 -5.01 105.19 100.56 3bwk n GLY 105 Ca 0.10 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3bwk n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwk n GLY 106 N -1.88 1.12 3.86 -0.02 0.00 0.50 -4.62 105.19 104.14 3bwk n GLY 106 Ca 0.00 -2.06 -0.31 0.00 0.00 0.00 0.00 46.02 43.65 3bwk n GLY 106 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bwk s LEU 107 N 0.00 3.49 0.29 0.99 1.43 0.41 -4.74 118.68 120.55 3bwk s LEU 107 Ca 0.00 1.42 0.06 0.00 -1.03 0.00 0.00 54.13 54.58 3bwk s LEU 107 Cb 0.00 -4.40 -0.02 0.00 0.03 0.00 0.00 46.19 41.80 3bwk s LEU 107 CO 0.00 -0.68 0.38 0.00 0.23 0.00 0.00 176.35 176.29 3bwk s SER 109 N -4.05 5.83 0.33 0.00 1.04 -1.26 -0.92 113.70 114.67 3bwk s SER 109 Ca 0.40 2.21 0.06 0.00 0.48 0.00 0.00 55.95 59.10 3bwk s SER 109 Cb -0.09 -2.59 0.73 0.00 0.10 0.00 0.00 66.02 64.18 3bwk s SER 109 CO 0.29 -1.14 1.86 -0.61 0.98 0.00 0.00 173.24 174.62 3bwk h GLN 110 N 1.40 0.76 -0.27 4.02 4.15 -1.02 -2.37 115.11 121.79 3bwk h GLN 110 Ca -0.50 -0.05 -0.15 0.00 0.77 0.00 0.00 58.65 58.72 3bwk h GLN 110 Cb 1.26 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 3bwk h GLN 110 CO 0.58 0.51 -0.45 0.38 -1.93 0.00 0.00 178.83 177.91 3bwk h ASP 111 N 0.79 0.75 -0.53 -0.69 -0.00 -1.93 -2.83 116.42 111.98 3bwk h ASP 111 Ca 0.46 -0.36 -0.10 0.00 -0.00 0.00 0.00 57.03 57.02 3bwk h ASP 111 Cb 0.63 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 39.73 3bwk h ASP 111 CO -0.22 1.09 -0.06 0.44 -0.00 0.00 0.00 179.24 180.49 3bwk h ASP 112 N 0.56 0.99 -2.55 4.15 3.32 -1.79 -3.39 116.42 117.70 3bwk h ASP 112 Ca 0.03 -0.30 -0.60 0.00 0.02 0.00 0.00 57.03 56.19 3bwk h ASP 112 Cb 1.00 -0.27 -0.39 0.00 0.22 0.00 0.00 39.33 39.89 3bwk h ASP 112 CO 0.09 1.07 -0.86 0.00 -1.72 0.00 0.00 179.24 177.83 3bwk n TYR 113 N -4.16 0.39 -1.75 4.55 -0.00 -0.92 -4.72 117.16 110.54 3bwk n TYR 113 Ca 0.02 -3.62 -0.32 0.00 -0.00 0.00 0.00 57.90 53.97 3bwk n TYR 113 Cb 0.37 -0.03 0.04 0.00 -0.00 0.00 0.00 39.34 39.72 3bwk n TYR 113 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 3bwk s PRO 114 N -0.49 2.90 -0.05 2.98 0.05 -1.07 -4.57 135.00 134.74 3bwk s PRO 114 Ca 0.31 1.25 -0.30 0.00 0.05 0.00 0.00 61.00 62.31 3bwk s PRO 114 Cb 0.02 -1.97 -0.03 0.00 0.05 0.00 0.00 34.50 32.57 3bwk s PRO 114 CO -0.18 -1.15 1.22 -0.47 0.05 0.00 0.00 177.00 176.47 3bwk s TYR 115 N -2.54 3.16 -0.13 0.56 5.04 -1.26 -4.79 117.35 117.39 3bwk s TYR 115 Ca 0.64 1.17 0.15 0.00 -2.44 0.00 0.00 57.07 56.59 3bwk s TYR 115 Cb -0.18 -3.45 0.29 0.00 0.35 0.00 0.00 41.96 38.98 3bwk s TYR 115 CO 0.44 -1.43 1.15 1.33 -1.34 0.00 0.00 175.55 175.70 3bwk n VAL 116 N 4.62 1.62 0.00 3.14 0.24 -1.26 -5.09 118.33 121.61 3bwk n VAL 116 Ca 0.11 -2.15 0.00 0.00 -2.04 0.00 0.00 64.34 60.26 3bwk n VAL 116 Cb 0.46 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 3bwk n VAL 116 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3bwk n SER 117 N -1.07 0.00 -0.02 -1.34 3.41 -1.26 -1.37 113.62 111.97 3bwk n SER 117 Ca 0.14 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.82 3bwk n SER 117 Cb 0.69 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 65.02 3bwk n SER 117 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3bwk n ASN 118 N 1.56 0.06 -4.67 4.04 0.23 -1.26 -4.81 115.26 110.42 3bwk n ASN 118 Ca 0.00 -1.60 -0.42 0.00 -0.53 0.00 0.00 54.58 52.03 3bwk n ASN 118 Cb 0.00 -0.01 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 3bwk n ASN 118 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3bwk s LEU 119 N -1.41 4.32 0.14 -4.53 2.96 -0.47 -4.95 118.68 114.74 3bwk s LEU 119 Ca 0.20 2.22 -0.31 0.00 -0.22 0.00 0.00 54.13 56.02 3bwk s LEU 119 Cb 0.09 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.15 3bwk s LEU 119 CO 0.15 -0.85 1.48 -2.84 -1.32 0.00 0.00 176.35 172.97 3bwk s PRO 120 N 3.26 4.27 -0.17 0.98 0.02 -1.26 -4.98 135.00 137.12 3bwk s PRO 120 Ca 0.70 2.22 -0.12 0.00 0.02 0.00 0.00 61.00 63.82 3bwk s PRO 120 Cb -0.33 -3.21 0.05 0.00 0.02 0.00 0.00 34.50 31.03 3bwk s PRO 120 CO 0.28 -0.53 0.43 -2.00 -0.33 0.00 0.00 177.00 174.86 3bwk s GLU 121 N 1.17 0.45 0.46 5.54 2.12 -1.26 -5.16 118.70 122.01 3bwk s GLU 121 Ca 0.67 0.74 -0.15 0.00 0.36 0.00 0.00 54.97 56.60 3bwk s GLU 121 Cb -0.40 0.08 -0.08 0.00 0.26 0.00 0.00 34.13 33.99 3bwk s GLU 121 CO 0.31 -0.12 0.89 0.95 -0.54 0.00 0.00 175.26 176.75 3bwk s THR 122 N 1.00 4.62 0.17 -1.70 -4.23 -1.26 -4.81 115.64 109.43 3bwk s THR 122 Ca -0.06 1.02 -0.32 0.00 -1.18 0.00 0.00 61.69 61.15 3bwk s THR 122 Cb -0.06 -3.71 -0.11 0.00 1.34 0.00 0.00 72.50 69.96 3bwk s THR 122 CO -0.08 -0.57 1.65 0.00 -0.54 0.00 0.00 174.62 175.08 3bwk s ASN 124 N 1.33 0.94 0.00 0.00 2.47 -1.26 -4.99 114.94 113.43 3bwk s ASN 124 Ca 0.73 -2.07 0.26 0.00 0.42 0.00 0.00 52.86 52.20 3bwk s ASN 124 Cb -0.46 0.43 1.13 0.00 -1.45 0.00 0.00 41.25 40.91 3bwk s ASN 124 CO 0.32 -0.20 1.83 0.18 -3.72 0.00 0.00 177.10 175.51 3bwk n LEU 125 N 3.63 0.00 0.26 3.21 4.77 -1.26 -3.02 117.00 124.59 3bwk n LEU 125 Ca 0.18 0.46 0.10 0.00 -0.03 0.00 0.00 56.01 56.72 3bwk n LEU 125 Cb 0.47 -0.46 0.70 0.00 -2.33 0.00 0.00 43.42 41.80 3bwk n LEU 125 CO 0.07 -0.06 1.08 0.11 -1.33 0.00 0.00 177.39 177.27 3bwk h LYS 126 N 0.00 0.00 -0.00 3.23 1.57 -2.02 -2.60 116.57 116.74 3bwk h LYS 126 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3bwk h LYS 126 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3bwk h LYS 126 CO 0.00 0.00 -0.04 2.89 -0.57 0.00 0.00 179.45 181.73 3bwk n ARG 127 N -4.38 0.24 -2.90 3.15 1.85 -1.17 -4.71 116.66 108.74 3bwk n ARG 127 Ca -0.03 -0.02 -0.41 0.00 -1.00 0.00 0.00 57.85 56.39 3bwk n ARG 127 Cb 0.10 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 29.97 3bwk n ARG 127 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3bwk n ASN 129 N 3.75 0.00 -4.77 0.00 3.02 -1.26 -4.97 115.26 111.03 3bwk n ASN 129 Ca 0.02 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.25 3bwk n ASN 129 Cb 0.51 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.75 3bwk n ASN 129 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3bwk s GLU 130 N 0.00 2.54 0.03 3.52 2.12 -1.26 -5.07 118.70 120.59 3bwk s GLU 130 Ca 0.00 1.29 0.02 0.00 0.36 0.00 0.00 54.97 56.64 3bwk s GLU 130 Cb 0.00 -1.92 -0.02 0.00 0.26 0.00 0.00 34.13 32.45 3bwk s GLU 130 CO 0.00 -1.44 -0.07 1.03 -0.54 0.00 0.00 175.26 174.24 3bwk s ARG 131 N -4.47 0.51 -0.24 4.30 0.52 -1.26 -4.55 118.95 113.76 3bwk s ARG 131 Ca 0.64 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 55.21 3bwk s ARG 131 Cb -0.19 -0.33 0.07 0.00 0.52 0.00 0.00 34.95 35.02 3bwk s ARG 131 CO 0.48 0.07 -0.02 0.71 0.02 0.00 0.00 175.30 176.56 3bwk s TYR 132 N -1.12 2.23 0.46 -0.53 2.02 -0.50 -4.91 117.35 115.01 3bwk s TYR 132 Ca -0.07 -1.72 0.00 0.00 -0.37 0.00 0.00 57.07 54.91 3bwk s TYR 132 Cb -0.08 -1.61 -0.00 0.00 -0.40 0.00 0.00 41.96 39.87 3bwk s TYR 132 CO 0.00 -0.78 0.69 0.95 -1.57 0.00 0.00 175.55 174.84 3bwk s THR 133 N 1.45 3.89 0.19 -0.71 -4.23 -1.26 -0.45 115.64 114.52 3bwk s THR 133 Ca -0.02 -0.49 0.11 0.00 -1.18 0.00 0.00 61.69 60.11 3bwk s THR 133 Cb -0.18 -3.44 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 3bwk s THR 133 CO -0.09 -0.32 -0.21 0.27 -0.54 0.00 0.00 174.62 173.74 3bwk s ILE 134 N -2.59 2.55 -0.11 2.99 -4.36 -1.26 -4.93 121.20 113.49 3bwk s ILE 134 Ca 0.49 -1.97 -0.22 0.00 -0.26 0.00 0.00 60.65 58.70 3bwk s ILE 134 Cb -0.10 -2.24 -0.27 0.00 1.25 0.00 0.00 42.46 41.10 3bwk s ILE 134 CO 0.38 -0.13 0.67 0.50 0.24 0.00 0.00 174.94 176.60 3bwk h LYS 135 N 3.09 0.17 0.00 0.37 3.64 -1.22 -3.46 116.57 119.16 3bwk h LYS 135 Ca -0.46 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 58.61 3bwk h LYS 135 Cb 1.21 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 3bwk h LYS 135 CO 0.50 1.14 0.03 -1.13 -2.27 0.00 0.00 179.45 177.72 3bwk n SER 136 N -4.22 -0.46 -3.78 4.20 3.41 -1.13 -5.00 113.62 106.64 3bwk n SER 136 Ca -0.19 -1.39 -0.11 0.00 -0.26 0.00 0.00 58.87 56.92 3bwk n SER 136 Cb 0.74 0.79 -0.07 0.00 -0.26 0.00 0.00 64.21 65.41 3bwk n SER 136 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3bwk s TYR 137 N -6.46 -0.05 -0.03 7.33 1.13 -1.01 -0.54 117.35 117.72 3bwk s TYR 137 Ca 0.05 -0.15 0.06 0.00 -1.41 0.00 0.00 57.07 55.62 3bwk s TYR 137 Cb -0.01 0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 40.90 3bwk s TYR 137 CO 0.03 -0.51 -0.20 0.54 -2.51 0.00 0.00 175.55 172.91 3bwk s VAL 138 N -2.78 1.60 0.12 -3.49 0.11 -0.09 -1.27 120.40 114.60 3bwk s VAL 138 Ca -0.03 -0.84 -0.30 0.00 -2.93 0.00 0.00 61.98 57.87 3bwk s VAL 138 Cb -0.00 -1.34 -0.06 0.00 -1.53 0.00 0.00 36.38 33.45 3bwk s VAL 138 CO -0.05 0.45 0.96 -0.55 -3.33 0.00 0.00 175.10 172.59 3bwk s SER 139 N -0.31 7.50 -0.26 3.54 0.15 -1.26 -1.54 113.70 121.53 3bwk s SER 139 Ca 0.04 1.80 -0.10 0.00 0.70 0.00 0.00 55.95 58.39 3bwk s SER 139 Cb -0.09 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 3bwk s SER 139 CO 0.00 -0.06 0.14 -0.63 1.20 0.00 0.00 173.24 173.89 3bwk s ILE 140 N -0.05 4.97 0.58 6.45 -1.09 -0.16 -4.55 121.20 127.36 3bwk s ILE 140 Ca 0.47 0.05 -0.20 0.00 -2.23 0.00 0.00 60.65 58.74 3bwk s ILE 140 Cb -0.23 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 3bwk s ILE 140 CO 0.30 0.31 1.31 -2.84 -1.23 0.00 0.00 174.94 172.78 3bwk s PRO 141 N 1.50 2.96 0.59 2.79 0.02 -1.26 -4.71 135.00 136.89 3bwk s PRO 141 Ca 0.07 2.10 0.38 0.00 0.02 0.00 0.00 61.00 63.57 3bwk s PRO 141 Cb -0.15 -2.09 1.86 0.00 0.02 0.00 0.00 34.50 34.14 3bwk s PRO 141 CO 0.07 -1.29 2.15 -0.44 -0.33 0.00 0.00 177.00 177.16 3bwk h ASP 142 N 1.12 0.00 -0.49 2.53 3.32 -1.96 -1.14 116.42 119.80 3bwk h ASP 142 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3bwk h ASP 142 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3bwk h ASP 142 CO 0.56 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.18 3bwk n ASP 143 N -3.03 2.91 -0.55 6.45 5.75 -1.26 -4.43 116.55 122.39 3bwk n ASP 143 Ca -0.01 -2.09 0.02 0.00 -0.01 0.00 0.00 54.79 52.70 3bwk n ASP 143 Cb 0.18 -0.38 0.03 0.00 -1.03 0.00 0.00 41.12 39.93 3bwk n ASP 143 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3bwk n LYS 144 N 0.89 0.26 -0.13 0.11 4.01 -0.43 -4.91 118.16 117.96 3bwk n LYS 144 Ca 0.17 -1.44 -0.11 0.00 -0.51 0.00 0.00 58.31 56.41 3bwk n LYS 144 Cb 0.49 -0.64 -0.02 0.00 -0.51 0.00 0.00 35.03 34.35 3bwk n LYS 144 CO 0.00 0.00 0.00 0.74 -1.11 0.00 0.00 177.40 177.03 3bwk h PHE 145 N 0.14 0.82 -0.33 2.13 -1.00 -1.77 -0.26 116.94 116.66 3bwk h PHE 145 Ca -0.03 -0.18 -0.04 0.00 2.81 0.00 0.00 57.97 60.54 3bwk h PHE 145 Cb 1.38 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 40.73 3bwk h PHE 145 CO 0.11 0.87 0.06 0.87 -1.61 0.00 0.00 178.31 178.62 3bwk h LYS 146 N 0.53 0.54 -0.03 1.51 1.57 -1.88 0.18 116.57 118.98 3bwk h LYS 146 Ca 0.10 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3bwk h LYS 146 Cb 0.61 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3bwk h LYS 146 CO 0.04 0.62 -0.07 1.49 -0.57 0.00 0.00 179.45 180.96 3bwk h GLU 147 N 0.38 -0.10 -0.46 3.15 4.81 -1.92 -1.87 114.58 118.57 3bwk h GLU 147 Ca 0.10 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3bwk h GLU 147 Cb 0.33 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3bwk h GLU 147 CO 0.00 -0.07 0.29 0.00 -0.73 0.00 0.00 179.01 178.51 3bwk h ALA 148 N 0.92 0.58 -0.31 2.92 0.00 -0.91 -2.52 119.26 119.95 3bwk h ALA 148 Ca 0.04 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3bwk h ALA 148 Cb 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3bwk h ALA 148 CO -0.10 0.05 0.09 -0.07 0.00 0.00 0.00 179.25 179.22 3bwk h LEU 149 N 0.61 0.07 -0.68 0.00 3.38 -0.52 0.98 115.31 119.15 3bwk h LEU 149 Ca 0.17 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 3bwk h LEU 149 Cb -0.04 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3bwk h LEU 149 CO -0.03 0.08 0.00 -0.09 0.09 0.00 0.00 178.44 178.49 3bwk h ARG 150 N 0.21 1.03 0.00 1.13 9.65 -1.22 -2.72 114.38 122.46 3bwk h ARG 150 Ca 0.14 -0.32 -0.08 0.00 -1.10 0.00 0.00 59.98 58.62 3bwk h ARG 150 Cb 0.13 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 3bwk h ARG 150 CO -0.16 1.00 -1.72 0.66 2.80 0.00 0.00 179.97 182.55 3bwk n TYR 151 N -4.18 0.00 -0.13 2.20 4.02 -0.96 -4.70 117.16 113.41 3bwk n TYR 151 Ca 0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.66 3bwk n TYR 151 Cb 0.34 -0.43 -0.10 0.00 -0.02 0.00 0.00 39.34 39.13 3bwk n TYR 151 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3bwk n LEU 152 N -2.16 2.12 0.00 7.72 4.32 0.28 -4.77 117.00 124.50 3bwk n LEU 152 Ca -0.09 0.22 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 3bwk n LEU 152 Cb 0.56 -0.80 0.00 0.00 -1.62 0.00 0.00 43.42 41.56 3bwk n LEU 152 CO 0.28 0.63 0.00 0.61 -1.22 0.00 0.00 177.39 177.70 3bwk n GLY 153 N 1.56 0.81 3.55 -0.72 0.00 -0.81 -4.99 105.19 104.59 3bwk n GLY 153 Ca -0.50 -2.21 -0.47 0.00 0.00 0.00 0.00 46.02 42.84 3bwk n GLY 153 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bwk n PRO 154 N -0.99 0.99 -4.11 1.61 -0.02 -1.26 -4.24 135.00 126.99 3bwk n PRO 154 Ca 0.00 0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 61.48 3bwk n PRO 154 Cb 0.00 -1.69 -0.11 0.00 -0.02 0.00 0.00 33.50 31.68 3bwk n PRO 154 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3bwk s ILE 155 N -0.75 4.32 -0.17 4.25 1.01 -0.65 -4.73 121.20 124.49 3bwk s ILE 155 Ca 0.65 -0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.81 3bwk s ILE 155 Cb -0.81 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 3bwk s ILE 155 CO 0.57 0.45 1.22 -0.55 0.00 0.00 0.00 174.94 176.63 3bwk s SER 156 N 0.63 6.98 0.04 3.58 0.15 0.02 -0.81 113.70 124.30 3bwk s SER 156 Ca 0.01 1.65 0.03 0.00 0.70 0.00 0.00 55.95 58.34 3bwk s SER 156 Cb -0.14 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.61 3bwk s SER 156 CO 0.02 -0.73 -0.09 0.27 1.20 0.00 0.00 173.24 173.91 3bwk s ILE 157 N 3.33 0.69 0.57 6.45 -4.36 -0.29 -1.02 121.20 126.57 3bwk s ILE 157 Ca 0.53 -0.99 -0.10 0.00 -0.26 0.00 0.00 60.65 59.83 3bwk s ILE 157 Cb -0.21 -0.70 -0.04 0.00 1.25 0.00 0.00 42.46 42.76 3bwk s ILE 157 CO 0.14 -0.24 0.95 -0.94 0.24 0.00 0.00 174.94 175.10 3bwk s SER 158 N -1.35 6.27 -0.05 4.36 1.04 -0.61 -0.55 113.70 122.80 3bwk s SER 158 Ca -0.06 1.29 -0.20 0.00 0.48 0.00 0.00 55.95 57.47 3bwk s SER 158 Cb -0.09 -2.41 0.04 0.00 0.10 0.00 0.00 66.02 63.67 3bwk s SER 158 CO 0.01 -0.76 0.44 -0.51 0.98 0.00 0.00 173.24 173.39 3bwk s ILE 159 N -3.01 0.03 -0.80 -1.02 2.07 -0.31 -0.37 121.20 117.79 3bwk s ILE 159 Ca 0.53 -0.27 -0.15 0.00 -1.41 0.00 0.00 60.65 59.36 3bwk s ILE 159 Cb -0.11 -0.73 0.20 0.00 0.13 0.00 0.00 42.46 41.96 3bwk s ILE 159 CO 0.50 -0.15 0.75 0.00 -1.91 0.00 0.00 174.94 174.13 3bwk s ALA 160 N -1.04 4.00 0.10 1.50 0.00 0.04 -0.83 121.76 125.53 3bwk s ALA 160 Ca -0.11 -3.20 -0.22 0.00 0.00 0.00 0.00 51.96 48.43 3bwk s ALA 160 Cb -0.03 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.50 3bwk s ALA 160 CO 0.05 -2.28 0.67 0.00 0.00 0.00 0.00 175.76 174.21 3bwk s ALA 161 N 0.47 3.50 0.53 0.00 0.00 -1.26 -1.31 121.76 123.68 3bwk s ALA 161 Ca 0.17 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.36 3bwk s ALA 161 Cb -0.12 -2.81 0.03 0.00 0.00 0.00 0.00 23.12 20.21 3bwk s ALA 161 CO -0.07 0.29 0.32 -1.54 0.00 0.00 0.00 175.76 174.76 3bwk s SER 162 N -0.89 4.54 0.19 0.00 1.04 -1.26 -4.10 113.70 113.22 3bwk s SER 162 Ca 0.33 -1.31 -0.12 0.00 0.48 0.00 0.00 55.95 55.33 3bwk s SER 162 Cb -0.21 0.40 0.11 0.00 0.10 0.00 0.00 66.02 66.42 3bwk s SER 162 CO 0.22 -1.04 1.83 -2.24 0.98 0.00 0.00 173.24 172.99 3bwk h ASP 163 N 0.88 0.79 -0.94 7.02 3.04 -1.93 -1.46 116.42 123.81 3bwk h ASP 163 Ca -0.38 -0.06 0.14 0.00 -3.24 0.00 0.00 57.03 53.48 3bwk h ASP 163 Cb 1.30 -0.20 -0.09 0.00 -1.04 0.00 0.00 39.33 39.30 3bwk h ASP 163 CO 0.61 0.62 0.56 0.44 -2.04 0.00 0.00 179.24 179.43 3bwk h ASP 164 N 0.89 0.77 -0.45 4.15 3.45 -1.97 -0.34 116.42 122.93 3bwk h ASP 164 Ca 0.23 0.07 -0.05 0.00 0.43 0.00 0.00 57.03 57.71 3bwk h ASP 164 Cb -0.02 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 38.66 3bwk h ASP 164 CO -0.04 0.37 0.07 0.15 -1.57 0.00 0.00 179.24 178.22 3bwk h PHE 165 N 0.83 0.79 -0.97 4.55 3.57 -1.73 -2.40 116.94 121.58 3bwk h PHE 165 Ca 0.49 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.90 3bwk h PHE 165 Cb 0.60 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 3bwk h PHE 165 CO -0.03 0.75 0.64 0.00 -2.23 0.00 0.00 178.31 177.44 3bwk h ALA 166 N 0.94 1.34 -0.37 2.41 0.00 -0.26 -2.90 119.26 120.42 3bwk h ALA 166 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3bwk h ALA 166 Cb 0.39 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3bwk h ALA 166 CO 0.01 0.59 0.00 1.19 0.00 0.00 0.00 179.25 181.04 3bwk n PHE 167 N -4.41 0.49 -2.28 0.00 3.72 -0.23 -4.92 117.46 109.83 3bwk n PHE 167 Ca 0.12 -0.25 -0.42 0.00 -0.05 0.00 0.00 57.45 56.85 3bwk n PHE 167 Cb 0.05 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 3bwk n PHE 167 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3bwk s TYR 168 N -1.51 3.17 -0.07 1.38 6.14 -0.91 -4.92 117.35 120.63 3bwk s TYR 168 Ca 0.31 1.02 0.13 0.00 0.64 0.00 0.00 57.07 59.17 3bwk s TYR 168 Cb 0.17 -3.58 0.24 0.00 0.42 0.00 0.00 41.96 39.20 3bwk s TYR 168 CO 0.23 -2.02 1.12 0.54 0.64 0.00 0.00 175.55 176.05 3bwk n ARG 169 N 4.50 0.63 0.00 4.97 5.12 -1.26 -1.25 116.66 129.37 3bwk n ARG 169 Ca 0.11 -2.05 0.00 0.00 -1.93 0.00 0.00 57.85 53.98 3bwk n ARG 169 Cb 0.44 -0.87 0.00 0.00 -1.16 0.00 0.00 32.46 30.87 3bwk n ARG 169 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3bwk n GLY 170 N -0.50 3.07 0.71 -0.13 0.00 -1.23 -4.66 105.19 102.45 3bwk n GLY 170 Ca 0.09 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3bwk n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwk n GLY 171 N -0.46 -2.90 3.63 -0.02 0.00 -1.26 -4.90 105.19 99.28 3bwk n GLY 171 Ca 0.00 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 3bwk n GLY 171 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bwk s PHE 172 N -0.52 2.30 -0.02 1.61 5.36 -1.26 -4.94 117.98 120.51 3bwk s PHE 172 Ca 0.00 0.66 -0.30 0.00 -0.96 0.00 0.00 56.93 56.33 3bwk s PHE 172 Cb 0.00 -3.96 -0.05 0.00 -0.34 0.00 0.00 43.02 38.67 3bwk s PHE 172 CO 0.00 -2.51 1.39 -0.47 -1.46 0.00 0.00 175.22 172.17 3bwk s TYR 173 N 4.93 2.82 -0.05 10.12 6.14 -1.26 -4.87 117.35 135.18 3bwk s TYR 173 Ca 0.66 0.82 0.13 0.00 0.64 0.00 0.00 57.07 59.32 3bwk s TYR 173 Cb -0.22 -3.65 0.24 0.00 0.42 0.00 0.00 41.96 38.76 3bwk s TYR 173 CO 0.27 -2.39 1.11 -0.40 0.64 0.00 0.00 175.55 174.78 3bwk n ASP 174 N 5.57 0.91 -4.47 4.32 5.75 -1.26 -4.99 116.55 122.38 3bwk n ASP 174 Ca 0.13 -2.42 -0.27 0.00 -0.01 0.00 0.00 54.79 52.22 3bwk n ASP 174 Cb 0.44 -0.31 0.14 0.00 -1.03 0.00 0.00 41.12 40.35 3bwk n ASP 174 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3bwk s GLY 175 N -1.91 1.75 1.01 6.12 0.00 -1.26 -5.08 107.32 107.94 3bwk s GLY 175 Ca 0.21 -1.26 -0.16 0.00 0.00 0.00 0.00 44.72 43.52 3bwk s GLY 175 CO -0.06 -0.62 1.23 -0.54 0.00 0.00 0.00 173.10 173.10 3bwk s GLU 176 N -5.56 0.32 0.24 2.90 2.02 -1.26 -5.01 118.70 112.35 3bwk s GLU 176 Ca 0.69 -0.18 0.08 0.00 0.02 0.00 0.00 54.97 55.58 3bwk s GLU 176 Cb -0.06 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.34 3bwk s GLU 176 CO 0.49 -2.67 0.07 0.00 0.02 0.00 0.00 175.26 173.17 3bwk s GLY 178 N -3.58 1.61 0.00 0.00 0.00 -0.43 -4.73 107.32 100.19 3bwk s GLY 178 Ca 0.31 -0.39 0.28 0.00 0.00 0.00 0.00 44.72 44.92 3bwk s GLY 178 CO 0.22 0.05 1.81 0.00 0.00 0.00 0.00 173.10 175.18 3bwk n ALA 179 N -3.34 2.77 -3.57 3.20 0.00 -1.26 -4.85 120.51 113.46 3bwk n ALA 179 Ca 0.07 -0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 3bwk n ALA 179 Cb 0.58 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 3bwk n ALA 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bwk s ALA 180 N -2.74 -1.92 0.21 0.00 0.00 -1.26 -5.13 121.76 110.92 3bwk s ALA 180 Ca 0.21 1.52 -0.32 0.00 0.00 0.00 0.00 51.96 53.37 3bwk s ALA 180 Cb 0.19 -0.56 -0.12 0.00 0.00 0.00 0.00 23.12 22.63 3bwk s ALA 180 CO 0.53 -0.35 1.71 -2.30 0.00 0.00 0.00 175.76 175.36 3bwk n PRO 181 N 0.64 2.75 0.00 0.00 -0.02 -1.26 -4.43 135.00 132.67 3bwk n PRO 181 Ca -0.10 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3bwk n PRO 181 Cb 0.58 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 3bwk n PRO 181 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3bwk n ASN 182 N 3.90 0.00 -3.81 2.55 0.23 -0.01 -4.92 115.26 113.20 3bwk n ASN 182 Ca 0.16 -1.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.11 3bwk n ASN 182 Cb 0.35 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.98 3bwk n ASN 182 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 3bwk s HIS 183 N 0.00 0.09 -0.04 -2.53 5.04 -0.83 -4.95 115.29 112.07 3bwk s HIS 183 Ca 0.00 -0.47 0.02 0.00 -1.54 0.00 0.00 55.06 53.07 3bwk s HIS 183 Cb 0.00 0.06 0.01 0.00 0.04 0.00 0.00 32.58 32.70 3bwk s HIS 183 CO 0.00 -0.66 -0.06 0.00 -2.34 0.00 0.00 174.74 171.68 3bwk s ALA 184 N -3.87 0.74 0.00 1.58 0.00 -1.26 -1.17 121.76 117.78 3bwk s ALA 184 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.88 3bwk s ALA 184 Cb 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 3bwk s ALA 184 CO -0.08 0.05 0.00 1.33 0.00 0.00 0.00 175.76 177.06 3bwk n VAL 185 N 3.73 0.00 -4.41 0.00 0.24 0.29 -4.58 118.33 113.59 3bwk n VAL 185 Ca -0.22 -0.02 -0.23 0.00 -2.04 0.00 0.00 64.34 61.83 3bwk n VAL 185 Cb 0.52 0.01 -0.16 0.00 -1.47 0.00 0.00 33.84 32.74 3bwk n VAL 185 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3bwk s ILE 186 N -1.96 0.91 -0.17 1.34 1.01 -0.94 -1.14 121.20 120.26 3bwk s ILE 186 Ca 0.00 -0.34 -0.28 0.00 0.00 0.00 0.00 60.65 60.03 3bwk s ILE 186 Cb 0.00 -0.86 -0.00 0.00 0.01 0.00 0.00 42.46 41.60 3bwk s ILE 186 CO 0.00 0.31 0.97 -0.76 0.00 0.00 0.00 174.94 175.46 3bwk s LEU 187 N 0.78 4.18 0.00 2.97 1.43 0.01 -0.89 118.68 127.16 3bwk s LEU 187 Ca -0.13 1.38 0.07 0.00 -1.03 0.00 0.00 54.13 54.43 3bwk s LEU 187 Cb -0.15 -3.46 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 3bwk s LEU 187 CO 0.02 -0.51 0.52 1.33 0.23 0.00 0.00 176.35 177.94 3bwk n VAL 188 N 4.87 0.00 -3.51 -1.59 0.24 -0.27 -1.64 118.33 116.44 3bwk n VAL 188 Ca 0.09 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3bwk n VAL 188 Cb 0.48 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 3bwk n VAL 188 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bwk n GLY 189 N 0.80 -1.19 3.23 7.63 0.00 -1.23 -1.78 105.19 112.65 3bwk n GLY 189 Ca 0.03 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 3bwk n GLY 189 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bwk s TYR 190 N -3.00 0.19 0.33 1.61 -0.85 0.49 -1.28 117.35 114.83 3bwk s TYR 190 Ca 0.00 -0.61 -0.09 0.00 -0.52 0.00 0.00 57.07 55.86 3bwk s TYR 190 Cb 0.00 -0.06 0.03 0.00 0.38 0.00 0.00 41.96 42.32 3bwk s TYR 190 CO 0.00 -0.57 0.59 0.41 -1.52 0.00 0.00 175.55 174.45 3bwk n GLY 191 N -0.09 1.53 3.05 5.49 0.00 -0.43 -0.57 105.19 114.17 3bwk n GLY 191 Ca -0.14 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.40 3bwk n GLY 191 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3bwk s MET 192 N -2.30 0.21 0.19 1.61 1.75 -1.21 -1.82 119.30 117.72 3bwk s MET 192 Ca 0.18 0.41 0.10 0.00 -1.25 0.00 0.00 55.69 55.13 3bwk s MET 192 Cb -0.03 -0.03 -0.04 0.00 2.84 0.00 0.00 34.83 37.56 3bwk s MET 192 CO 0.13 -0.11 -0.22 0.15 -0.65 0.00 0.00 175.02 174.33 3bwk s LYS 193 N 0.79 1.43 -0.33 4.11 1.02 0.39 -4.96 119.74 122.18 3bwk s LYS 193 Ca -0.06 -1.49 -0.18 0.00 0.02 0.00 0.00 55.97 54.26 3bwk s LYS 193 Cb -0.07 -1.64 -0.01 0.00 -0.52 0.00 0.00 37.83 35.60 3bwk s LYS 193 CO -0.05 0.34 0.52 -0.51 -0.92 0.00 0.00 175.35 174.74 3bwk s ASP 194 N -2.71 6.35 -0.06 2.83 1.01 -1.26 0.04 116.67 122.86 3bwk s ASP 194 Ca 0.19 0.09 0.09 0.00 0.71 0.00 0.00 52.55 53.63 3bwk s ASP 194 Cb -0.07 -2.27 -0.13 0.00 1.01 0.00 0.00 42.92 41.46 3bwk s ASP 194 CO 0.09 -0.45 0.10 -0.38 0.21 0.00 0.00 175.17 174.73 3bwk n ILE 195 N 5.39 0.42 -1.93 0.77 2.08 -1.26 -4.97 119.36 119.85 3bwk n ILE 195 Ca -0.04 -0.34 0.00 0.00 0.56 0.00 0.00 62.75 62.93 3bwk n ILE 195 Cb 0.49 -0.41 0.00 0.00 -0.75 0.00 0.00 39.64 38.97 3bwk n ILE 195 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3bwk n GLU 204 N -2.17 -4.75 -2.34 0.38 1.02 -1.26 -4.98 120.64 106.53 3bwk n GLU 204 Ca -0.11 3.40 -0.39 0.00 -0.02 0.00 0.00 57.16 60.04 3bwk n GLU 204 Cb 0.62 -3.80 -0.03 0.00 -0.02 0.00 0.00 31.44 28.21 3bwk n GLU 204 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3bwk s LYS 205 N -1.42 4.36 -0.22 3.49 1.02 -1.26 -5.02 119.74 120.68 3bwk s LYS 205 Ca 0.00 1.89 0.00 0.00 0.02 0.00 0.00 55.97 57.88 3bwk s LYS 205 Cb 0.00 -2.95 0.06 0.00 -0.52 0.00 0.00 37.83 34.41 3bwk s LYS 205 CO 0.00 -0.07 -0.05 0.12 -0.92 0.00 0.00 175.35 174.42 3bwk s PHE 206 N -1.27 2.24 -0.03 3.18 5.36 0.11 -5.00 117.98 122.57 3bwk s PHE 206 Ca 0.50 -1.61 -0.08 0.00 -0.96 0.00 0.00 56.93 54.78 3bwk s PHE 206 Cb -0.33 -1.53 -0.05 0.00 -0.34 0.00 0.00 43.02 40.78 3bwk s PHE 206 CO 0.42 -0.74 0.26 0.71 -1.46 0.00 0.00 175.22 174.41 3bwk s TYR 207 N 1.45 3.61 0.05 10.12 1.51 -1.26 -0.46 117.35 132.37 3bwk s TYR 207 Ca -0.04 0.65 -0.14 0.00 -1.01 0.00 0.00 57.07 56.53 3bwk s TYR 207 Cb -0.18 -2.04 0.02 0.00 -0.11 0.00 0.00 41.96 39.65 3bwk s TYR 207 CO -0.07 0.65 0.32 1.52 -1.11 0.00 0.00 175.55 176.86 3bwk s TYR 208 N -1.18 -0.13 0.14 2.71 -0.85 -0.75 -0.58 117.35 116.70 3bwk s TYR 208 Ca 0.23 -0.00 -0.07 0.00 -0.52 0.00 0.00 57.07 56.71 3bwk s TYR 208 Cb -0.14 0.11 -0.06 0.00 0.38 0.00 0.00 41.96 42.26 3bwk s TYR 208 CO 0.12 -0.52 0.41 0.71 -1.52 0.00 0.00 175.55 174.76 3bwk s TYR 209 N -2.57 3.50 -0.32 -3.49 1.51 0.17 -1.32 117.35 114.83 3bwk s TYR 209 Ca -0.05 0.69 -0.12 0.00 -1.01 0.00 0.00 57.07 56.58 3bwk s TYR 209 Cb -0.01 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.71 3bwk s TYR 209 CO -0.03 0.43 0.22 0.42 -1.11 0.00 0.00 175.55 175.48 3bwk s ILE 210 N -1.59 5.29 -0.14 2.71 1.01 -0.41 -1.04 121.20 127.02 3bwk s ILE 210 Ca 0.39 -0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.93 3bwk s ILE 210 Cb -0.13 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 3bwk s ILE 210 CO 0.22 0.08 -0.02 -0.63 0.00 0.00 0.00 174.94 174.59 3bwk s ILE 211 N 1.73 4.04 -0.27 2.92 1.09 0.04 -1.11 121.20 129.64 3bwk s ILE 211 Ca 0.06 -0.31 -0.10 0.00 -1.10 0.00 0.00 60.65 59.20 3bwk s ILE 211 Cb -0.17 -2.76 -0.04 0.00 -1.06 0.00 0.00 42.46 38.43 3bwk s ILE 211 CO 0.11 0.51 0.15 -0.75 -0.10 0.00 0.00 174.94 174.86 3bwk s LYS 212 N 0.12 3.85 0.44 2.79 2.20 -0.07 -1.56 119.74 127.51 3bwk s LYS 212 Ca -0.00 -0.38 0.08 0.00 -0.36 0.00 0.00 55.97 55.31 3bwk s LYS 212 Cb -0.13 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 3bwk s LYS 212 CO 0.02 -0.19 0.47 1.21 -0.36 0.00 0.00 175.35 176.51 3bwk s ASN 213 N 1.71 5.20 -0.26 1.43 3.84 -0.76 -2.21 114.94 123.90 3bwk s ASN 213 Ca 0.07 -0.69 0.10 0.00 0.21 0.00 0.00 52.86 52.55 3bwk s ASN 213 Cb -0.16 -0.46 0.45 0.00 -0.55 0.00 0.00 41.25 40.53 3bwk s ASN 213 CO 0.09 -0.77 1.19 -1.54 -2.79 0.00 0.00 177.10 173.28 3bwk n SER 214 N -1.71 3.70 -1.38 -4.21 3.41 -1.26 -4.57 113.62 107.60 3bwk n SER 214 Ca 0.05 -3.58 -0.07 0.00 -0.26 0.00 0.00 58.87 55.02 3bwk n SER 214 Cb 0.61 -0.40 0.21 0.00 -0.26 0.00 0.00 64.21 64.37 3bwk n SER 214 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3bwk n TRP 215 N -0.76 1.51 0.00 7.33 8.01 -1.23 -0.53 117.44 131.77 3bwk n TRP 215 Ca 0.33 -1.56 0.00 0.00 -1.31 0.00 0.00 57.50 54.96 3bwk n TRP 215 Cb 0.89 -0.57 0.00 0.00 -2.01 0.00 0.00 31.31 29.62 3bwk n TRP 215 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3bwk n GLY 216 N -1.03 -0.71 0.03 6.99 0.00 -0.66 -4.30 105.19 105.51 3bwk n GLY 216 Ca 0.37 -1.66 0.13 0.00 0.00 0.00 0.00 46.02 44.86 3bwk n GLY 216 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bwk n SER 217 N -1.42 0.29 -1.68 1.61 3.41 -1.26 -2.77 113.62 111.80 3bwk n SER 217 Ca 0.00 0.43 -0.06 0.00 -0.26 0.00 0.00 58.87 58.98 3bwk n SER 217 Cb 0.00 -0.48 0.20 0.00 -0.26 0.00 0.00 64.21 63.67 3bwk n SER 217 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3bwk n ASP 218 N -1.73 3.92 -4.50 4.04 3.85 -1.26 -3.05 116.55 117.82 3bwk n ASP 218 Ca 0.06 -2.91 -0.32 0.00 -0.71 0.00 0.00 54.79 50.92 3bwk n ASP 218 Cb 0.37 -0.69 -0.12 0.00 -1.35 0.00 0.00 41.12 39.33 3bwk n ASP 218 CO 0.00 0.00 0.00 0.86 -1.01 0.00 0.00 177.20 177.05 3bwk s TRP 219 N -2.28 2.71 0.00 2.11 -0.00 -1.11 -4.98 118.94 115.38 3bwk s TRP 219 Ca 0.39 -0.16 0.00 0.00 -0.00 0.00 0.00 56.10 56.34 3bwk s TRP 219 Cb 0.32 -1.57 0.00 0.00 -0.00 0.00 0.00 33.47 32.22 3bwk s TRP 219 CO 0.09 0.26 0.00 0.41 -0.00 0.00 0.00 176.95 177.71 3bwk n GLY 220 N 1.86 2.08 3.18 5.86 0.00 -0.38 0.49 105.19 118.27 3bwk n GLY 220 Ca -0.16 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 3bwk n GLY 220 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bwk s GLU 221 N 0.00 2.71 -1.71 1.61 2.02 -0.00 -3.58 118.70 119.75 3bwk s GLU 221 Ca 0.00 -2.21 0.00 0.00 0.02 0.00 0.00 54.97 52.78 3bwk s GLU 221 Cb 0.00 -3.93 0.00 0.00 0.10 0.00 0.00 34.13 30.30 3bwk s GLU 221 CO 0.00 -1.20 0.00 0.41 0.02 0.00 0.00 175.26 174.49 3bwk n GLY 222 N 4.15 0.51 0.00 -1.39 0.00 -1.23 -1.88 105.19 105.35 3bwk n GLY 222 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3bwk n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwk n GLY 223 N -0.67 0.75 3.45 -0.02 0.00 0.18 -4.61 105.19 104.27 3bwk n GLY 223 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 3bwk n GLY 223 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bwk s TYR 224 N -2.00 2.08 -0.08 1.61 1.51 -0.79 -1.83 117.35 117.85 3bwk s TYR 224 Ca 0.00 -0.54 -0.09 0.00 -1.01 0.00 0.00 57.07 55.43 3bwk s TYR 224 Cb 0.00 -1.08 0.02 0.00 -0.11 0.00 0.00 41.96 40.79 3bwk s TYR 224 CO 0.00 0.47 0.25 -1.50 -1.11 0.00 0.00 175.55 173.65 3bwk s ILE 225 N -2.80 0.02 -0.23 2.71 2.07 -0.60 -0.82 121.20 121.54 3bwk s ILE 225 Ca 0.29 -0.13 -0.13 0.00 -1.41 0.00 0.00 60.65 59.27 3bwk s ILE 225 Cb 0.00 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.16 3bwk s ILE 225 CO 0.13 -0.07 0.28 0.20 -1.91 0.00 0.00 174.94 173.56 3bwk s ASN 226 N -0.19 6.24 -0.14 4.50 0.02 -1.26 -0.78 114.94 123.33 3bwk s ASN 226 Ca -0.03 0.27 0.01 0.00 -1.02 0.00 0.00 52.86 52.09 3bwk s ASN 226 Cb -0.03 -2.17 0.00 0.00 0.02 0.00 0.00 41.25 39.08 3bwk s ASN 226 CO 0.01 -0.03 -0.19 -0.76 0.02 0.00 0.00 177.10 176.16 3bwk s LEU 227 N 1.33 2.31 0.12 0.60 1.43 -0.21 -4.66 118.68 119.62 3bwk s LEU 227 Ca 0.13 -0.52 -0.35 0.00 -1.03 0.00 0.00 54.13 52.35 3bwk s LEU 227 Cb -0.14 -1.51 -0.16 0.00 0.03 0.00 0.00 46.19 44.41 3bwk s LEU 227 CO 0.07 0.10 1.40 1.21 0.23 0.00 0.00 176.35 179.36 3bwk n GLU 228 N 3.96 1.50 0.00 1.70 2.13 -1.26 -0.66 120.64 128.01 3bwk n GLU 228 Ca -0.19 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.17 3bwk n GLU 228 Cb 0.52 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 30.02 3bwk n GLU 228 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 3bwk n THR 229 N 2.67 0.00 -4.47 6.31 5.66 0.25 -3.88 114.28 120.82 3bwk n THR 229 Ca 0.17 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.96 3bwk n THR 229 Cb 0.23 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.96 3bwk n THR 229 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3bwk n ASP 230 N 0.00 2.29 -0.19 1.09 3.85 -1.26 -4.37 116.55 117.96 3bwk n ASP 230 Ca 0.00 -2.57 -0.08 0.00 -0.71 0.00 0.00 54.79 51.43 3bwk n ASP 230 Cb 0.00 0.44 0.02 0.00 -1.35 0.00 0.00 41.12 40.23 3bwk n ASP 230 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3bwk h GLU 231 N 0.00 0.83 -0.14 0.11 4.81 -1.95 -1.51 114.58 116.74 3bwk h GLU 231 Ca -0.27 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 58.81 3bwk h GLU 231 Cb 0.89 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 3bwk h GLU 231 CO 0.45 0.74 0.09 -0.91 -0.73 0.00 0.00 179.01 178.65 3bwk h ASN 232 N 0.75 0.10 0.00 1.04 2.35 -1.97 -3.46 115.58 114.39 3bwk h ASN 232 Ca 0.18 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3bwk h ASN 232 Cb 0.23 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3bwk h ASN 232 CO -0.01 0.07 0.00 0.61 -1.65 0.00 0.00 177.43 176.45 3bwk n GLY 233 N -1.53 0.52 0.15 2.83 0.00 -0.57 -4.78 105.19 101.81 3bwk n GLY 233 Ca -0.01 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 3bwk n GLY 233 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3bwk h TYR 234 N 0.00 0.94 -2.68 1.61 0.99 -1.83 -3.45 116.97 112.55 3bwk h TYR 234 Ca 0.00 -0.64 -0.52 0.00 2.00 0.00 0.00 58.73 59.57 3bwk h TYR 234 Cb 0.00 -0.06 0.05 0.00 1.00 0.00 0.00 36.73 37.73 3bwk h TYR 234 CO 0.00 1.48 1.00 0.21 -0.00 0.00 0.00 178.16 180.86 3bwk s LYS 235 N -2.79 4.14 -0.13 4.88 2.20 -1.26 -4.94 119.74 121.85 3bwk s LYS 235 Ca -0.08 2.56 -0.03 0.00 -0.36 0.00 0.00 55.97 58.05 3bwk s LYS 235 Cb 0.05 -3.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.18 3bwk s LYS 235 CO 0.93 -0.74 -0.01 0.15 -0.36 0.00 0.00 175.35 175.33 3bwk s LYS 236 N 1.39 3.40 -0.12 4.03 1.02 -1.26 -4.47 119.74 123.72 3bwk s LYS 236 Ca 0.75 -0.45 -0.04 0.00 0.02 0.00 0.00 55.97 56.24 3bwk s LYS 236 Cb -0.48 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 3bwk s LYS 236 CO 0.32 0.45 0.04 0.99 -0.92 0.00 0.00 175.35 176.24 3bwk s THR 237 N -0.19 4.66 -1.58 2.17 2.01 -1.25 -4.54 115.64 116.91 3bwk s THR 237 Ca 0.05 -0.10 -0.03 0.00 0.31 0.00 0.00 61.69 61.92 3bwk s THR 237 Cb -0.13 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.37 3bwk s THR 237 CO 0.02 0.57 0.34 0.00 -0.69 0.00 0.00 174.62 174.86 3bwk n SER 239 N -2.10 -3.06 -4.68 0.00 7.64 -1.26 -0.78 113.62 109.38 3bwk n SER 239 Ca -0.16 -0.41 -0.45 0.00 1.01 0.00 0.00 58.87 58.87 3bwk n SER 239 Cb 0.64 -2.57 -0.03 0.00 -1.01 0.00 0.00 64.21 61.25 3bwk n SER 239 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3bwk n ILE 240 N -3.76 0.74 -1.03 0.44 -5.35 -1.07 -2.83 119.36 106.49 3bwk n ILE 240 Ca 0.01 -0.18 -0.01 0.00 -0.27 0.00 0.00 62.75 62.29 3bwk n ILE 240 Cb 0.52 -1.56 -0.00 0.00 -1.74 0.00 0.00 39.64 36.85 3bwk n ILE 240 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bwk n GLY 241 N 2.46 0.48 0.33 3.28 0.00 0.50 -4.88 105.19 107.37 3bwk n GLY 241 Ca 0.12 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.99 3bwk n GLY 241 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3bwk h THR 242 N 0.00 0.09 -3.28 2.61 2.02 -1.72 -3.28 112.91 109.35 3bwk h THR 242 Ca -0.02 -0.01 -0.65 0.00 0.77 0.00 0.00 66.41 66.50 3bwk h THR 242 Cb 0.18 0.05 -0.17 0.00 -1.74 0.00 0.00 68.15 66.47 3bwk h THR 242 CO 0.03 0.01 -0.61 -1.61 0.37 0.00 0.00 175.52 173.70 3bwk s GLU 243 N -6.06 3.53 -0.24 6.66 0.41 -1.26 -5.04 118.70 116.71 3bwk s GLU 243 Ca -0.13 -0.41 -0.06 0.00 -0.41 0.00 0.00 54.97 53.96 3bwk s GLU 243 Cb 0.27 -2.98 0.12 0.00 -1.78 0.00 0.00 34.13 29.76 3bwk s GLU 243 CO 0.77 0.43 0.47 0.00 -0.49 0.00 0.00 175.26 176.44 3bwk s ALA 244 N -0.11 -1.41 -0.02 5.21 0.00 -1.24 -1.58 121.76 122.61 3bwk s ALA 244 Ca 0.05 1.53 -0.01 0.00 0.00 0.00 0.00 51.96 53.52 3bwk s ALA 244 Cb -0.13 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.42 3bwk s ALA 244 CO 0.02 -0.98 0.06 0.71 0.00 0.00 0.00 175.76 175.56 3bwk s TYR 245 N 2.67 -0.05 -0.15 0.00 1.51 -0.18 -0.99 117.35 120.16 3bwk s TYR 245 Ca 0.04 0.17 -0.03 0.00 -1.01 0.00 0.00 57.07 56.24 3bwk s TYR 245 Cb -0.13 -0.04 -0.03 0.00 -0.11 0.00 0.00 41.96 41.65 3bwk s TYR 245 CO -0.15 -0.05 -0.05 0.08 -1.11 0.00 0.00 175.55 174.27 3bwk s VAL 246 N 0.36 3.83 0.41 0.71 1.01 -0.59 -0.79 120.40 125.34 3bwk s VAL 246 Ca -0.03 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 3bwk s VAL 246 Cb -0.04 -2.67 -0.11 0.00 0.00 0.00 0.00 36.38 33.57 3bwk s VAL 246 CO -0.01 0.50 0.93 -2.16 0.00 0.00 0.00 175.10 174.36 3bwk s PRO 247 N 0.28 4.23 0.05 2.72 0.04 -1.26 -0.91 135.00 140.14 3bwk s PRO 247 Ca -0.04 1.09 0.07 0.00 0.04 0.00 0.00 61.00 62.16 3bwk s PRO 247 Cb -0.14 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 3bwk s PRO 247 CO 0.03 0.01 -0.19 -0.51 0.04 0.00 0.00 177.00 176.37 3bwk s LEU 248 N -3.09 2.18 0.00 -3.56 1.43 0.30 -4.93 118.68 111.00 3bwk s LEU 248 Ca 0.61 -0.52 0.20 0.00 -1.03 0.00 0.00 54.13 53.38 3bwk s LEU 248 Cb -0.10 -0.90 0.16 0.00 0.03 0.00 0.00 46.19 45.39 3bwk s LEU 248 CO 0.14 0.13 1.13 0.18 0.23 0.00 0.00 176.35 178.16