#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3w n PRO 2 N 0.00 0.83 -3.12 2.12 -0.04 -1.26 -4.91 135.00 128.62 2b3w n PRO 2 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 2b3w n PRO 2 Cb 0.00 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 2b3w n PRO 2 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2b3w n VAL 3 N 0.04 -3.94 -0.10 0.52 3.14 -1.26 -4.96 118.33 111.77 2b3w n VAL 3 Ca 0.00 0.72 -0.11 0.00 -2.96 0.00 0.00 64.34 62.00 2b3w n VAL 3 Cb 0.19 -3.76 -0.14 0.00 -1.06 0.00 0.00 33.84 29.07 2b3w n VAL 3 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2b3w n ARG 4 N 1.10 0.89 -3.24 1.45 0.63 -1.26 -5.05 116.66 111.19 2b3w n ARG 4 Ca -0.00 0.02 -0.07 0.00 -0.92 0.00 0.00 57.85 56.88 2b3w n ARG 4 Cb 0.42 -1.48 0.01 0.00 0.45 0.00 0.00 32.46 31.86 2b3w n ARG 4 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2b3w n ALA 5 N -2.79 -2.56 -2.10 5.13 0.00 -1.26 -4.91 120.51 112.02 2b3w n ALA 5 Ca -0.33 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 2b3w n ALA 5 Cb 1.08 -1.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 2b3w n ALA 5 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2b3w s GLN 6 N -3.59 4.27 -0.08 0.00 -0.21 -1.26 -4.90 119.66 113.88 2b3w s GLN 6 Ca 0.06 2.13 -0.08 0.00 0.02 0.00 0.00 55.36 57.49 2b3w s GLN 6 Cb -0.01 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.53 2b3w s GLN 6 CO 0.78 -0.57 0.20 1.03 -2.12 0.00 0.00 175.29 174.61 2b3w s ARG 7 N 1.90 3.53 0.15 2.91 0.52 -1.26 -4.96 118.95 121.73 2b3w s ARG 7 Ca 0.67 -0.06 -0.30 0.00 -0.52 0.00 0.00 55.73 55.52 2b3w s ARG 7 Cb -0.36 -3.17 -0.07 0.00 0.52 0.00 0.00 34.95 31.87 2b3w s ARG 7 CO 0.30 0.74 1.03 0.42 0.02 0.00 0.00 175.30 177.81 2b3w s ILE 8 N -1.10 4.16 -0.15 1.52 1.01 -1.26 -4.97 121.20 120.41 2b3w s ILE 8 Ca 0.19 1.83 -0.23 0.00 0.00 0.00 0.00 60.65 62.44 2b3w s ILE 8 Cb -0.13 -4.17 -0.25 0.00 0.01 0.00 0.00 42.46 37.93 2b3w s ILE 8 CO 0.08 0.30 0.56 1.56 0.00 0.00 0.00 174.94 177.44 2b3w h GLN 9 N 5.32 0.08 -3.09 2.79 4.20 -1.97 -3.46 115.11 118.97 2b3w h GLN 9 Ca -0.44 -0.13 -0.36 0.00 0.06 0.00 0.00 58.65 57.78 2b3w h GLN 9 Cb 1.21 0.05 -0.38 0.00 0.30 0.00 0.00 27.48 28.66 2b3w h GLN 9 CO 0.72 1.06 -0.70 -1.01 -0.67 0.00 0.00 178.83 178.24 2b3w s HIS 10 N -2.34 -0.02 0.51 2.96 3.76 -1.26 -5.14 115.29 113.76 2b3w s HIS 10 Ca -0.22 0.24 -0.03 0.00 -0.15 0.00 0.00 55.06 54.90 2b3w s HIS 10 Cb 0.02 -0.45 -0.00 0.00 1.11 0.00 0.00 32.58 33.26 2b3w s HIS 10 CO 0.69 -0.34 0.78 0.14 -0.85 0.00 0.00 174.74 175.16 2b3w s VAL 11 N 2.22 4.02 -0.08 -0.90 -7.23 -1.26 -5.02 120.40 112.15 2b3w s VAL 11 Ca 0.04 -0.20 0.11 0.00 -1.81 0.00 0.00 61.98 60.13 2b3w s VAL 11 Cb -0.13 -3.53 0.18 0.00 0.56 0.00 0.00 36.38 33.45 2b3w s VAL 11 CO -0.06 -0.47 1.07 0.23 -0.31 0.00 0.00 175.10 175.56 2b3w n MET 12 N -2.30 1.17 0.00 4.82 2.81 -1.26 -5.01 117.12 117.36 2b3w n MET 12 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 57.70 53.92 2b3w n MET 12 Cb 0.57 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 2b3w n MET 12 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2b3w n GLN 13 N -0.94 0.00 0.00 0.03 6.02 -1.26 -4.30 117.38 116.94 2b3w n GLN 13 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2b3w n GLN 13 Cb 0.59 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.85 2b3w n GLN 13 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2b3w n ASP 14 N 1.84 1.79 -4.53 1.08 9.92 -1.26 -4.56 116.55 120.83 2b3w n ASP 14 Ca 0.00 -1.92 -0.42 0.00 -0.53 0.00 0.00 54.79 51.92 2b3w n ASP 14 Cb 0.00 -0.48 -0.03 0.00 -0.64 0.00 0.00 41.12 39.97 2b3w n ASP 14 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2b3w s THR 15 N -0.55 4.09 -0.42 -3.53 2.01 -1.26 -4.98 115.64 111.00 2b3w s THR 15 Ca 0.00 0.38 -0.14 0.00 0.31 0.00 0.00 61.69 62.23 2b3w s THR 15 Cb 0.00 -4.72 0.04 0.00 0.01 0.00 0.00 72.50 67.82 2b3w s THR 15 CO 0.00 -1.45 0.31 -0.63 -0.69 0.00 0.00 174.62 172.16 2b3w s ILE 16 N 4.75 5.12 -0.41 1.82 1.01 -1.26 -0.35 121.20 131.88 2b3w s ILE 16 Ca 0.34 -0.81 -0.20 0.00 0.00 0.00 0.00 60.65 59.98 2b3w s ILE 16 Cb -0.11 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.47 2b3w s ILE 16 CO 0.18 -0.37 0.60 -0.63 0.00 0.00 0.00 174.94 174.73 2b3w s ILE 17 N 1.64 4.89 -0.33 2.92 1.01 -0.09 -4.95 121.20 126.30 2b3w s ILE 17 Ca 0.04 0.19 -0.13 0.00 0.00 0.00 0.00 60.65 60.76 2b3w s ILE 17 Cb -0.20 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 38.11 2b3w s ILE 17 CO 0.08 -0.47 0.25 0.20 0.00 0.00 0.00 174.94 175.00 2b3w s ASN 18 N 1.91 6.07 0.48 3.58 0.02 -1.24 -2.50 114.94 123.26 2b3w s ASN 18 Ca 0.21 -0.30 0.06 0.00 -1.02 0.00 0.00 52.86 51.81 2b3w s ASN 18 Cb -0.15 -2.14 -0.01 0.00 0.02 0.00 0.00 41.25 38.97 2b3w s ASN 18 CO 0.17 -0.21 0.27 0.72 0.02 0.00 0.00 177.10 178.07 2b3w s PHE 19 N 1.77 2.14 -0.28 2.20 -0.71 -1.22 -4.91 117.98 116.97 2b3w s PHE 19 Ca 0.07 -0.72 -0.03 0.00 -1.04 0.00 0.00 56.93 55.21 2b3w s PHE 19 Cb -0.17 -1.92 0.11 0.00 -1.21 0.00 0.00 43.02 39.83 2b3w s PHE 19 CO 0.11 -0.10 0.18 0.71 -1.34 0.00 0.00 175.22 174.78 2b3w s TYR 20 N -2.69 0.08 0.00 3.49 2.02 -1.26 -3.63 117.35 115.36 2b3w s TYR 20 Ca 0.34 -0.63 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 2b3w s TYR 20 Cb 0.00 -0.76 0.00 0.00 -0.40 0.00 0.00 41.96 40.81 2b3w s TYR 20 CO 0.20 -0.84 0.00 -1.13 -1.57 0.00 0.00 175.55 172.21 2b3w n SER 21 N 5.27 0.00 0.00 2.29 3.41 -1.26 -4.21 113.62 119.12 2b3w n SER 21 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2b3w n SER 21 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2b3w n SER 21 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2b3w n THR 22 N 0.00 0.00 0.00 6.66 -2.24 -1.26 -4.45 114.28 112.99 2b3w n THR 22 Ca 0.00 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 2b3w n THR 22 Cb 0.00 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 2b3w n THR 22 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2b3w n SER 23 N -0.93 0.00 -0.66 3.42 7.64 -1.26 -3.10 113.62 118.74 2b3w n SER 23 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2b3w n SER 23 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2b3w n SER 23 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2b3w n ASP 24 N 1.63 0.80 0.27 6.43 2.03 -1.26 -4.99 116.55 121.46 2b3w n ASP 24 Ca 0.00 -0.47 0.17 0.00 0.52 0.00 0.00 54.79 55.01 2b3w n ASP 24 Cb 0.00 0.00 0.63 0.00 -0.72 0.00 0.00 41.12 41.03 2b3w n ASP 24 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2b3w h ASP 25 N 0.00 0.00 0.50 1.67 3.58 -1.99 -1.02 116.42 119.16 2b3w h ASP 25 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2b3w h ASP 25 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2b3w h ASP 25 CO 0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 2b3w n TYR 26 N -3.10 0.00 1.08 0.28 9.36 -1.26 -3.83 117.16 119.69 2b3w n TYR 26 Ca 0.01 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.32 2b3w n TYR 26 Cb 0.33 -0.28 0.52 0.00 -0.63 0.00 0.00 39.34 39.28 2b3w n TYR 26 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2b3w n GLY 27 N 1.00 -0.61 0.32 2.98 0.00 -0.39 -3.27 105.19 105.23 2b3w n GLY 27 Ca 0.13 -0.11 0.17 0.00 0.00 0.00 0.00 46.02 46.21 2b3w n GLY 27 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2b3w h ASP 28 N 0.00 0.00 0.41 1.61 3.58 -1.80 -0.27 116.42 119.95 2b3w h ASP 28 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2b3w h ASP 28 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2b3w h ASP 28 CO 0.00 0.00 0.00 0.49 -2.88 0.00 0.00 179.24 176.85 2b3w n PHE 29 N -3.69 0.55 -3.06 0.28 3.01 -1.20 -4.53 117.46 108.82 2b3w n PHE 29 Ca -0.01 0.24 -0.40 0.00 1.01 0.00 0.00 57.45 58.29 2b3w n PHE 29 Cb 0.19 -0.89 -0.05 0.00 -0.01 0.00 0.00 39.48 38.72 2b3w n PHE 29 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2b3w s SER 30 N -3.82 7.03 0.00 4.37 0.15 -0.11 -4.94 113.70 116.38 2b3w s SER 30 Ca 0.02 1.24 0.03 0.00 0.70 0.00 0.00 55.95 57.95 2b3w s SER 30 Cb 0.07 -2.42 0.19 0.00 -1.71 0.00 0.00 66.02 62.16 2b3w s SER 30 CO 0.27 -0.05 0.91 0.59 1.20 0.00 0.00 173.24 176.16 2b3w n ASN 31 N 3.40 0.00 -1.05 5.45 3.02 -1.26 -2.01 115.26 122.80 2b3w n ASN 31 Ca -0.02 -1.45 0.12 0.00 -0.03 0.00 0.00 54.58 53.19 2b3w n ASN 31 Cb 0.51 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.90 2b3w n ASN 31 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2b3w n PHE 32 N -0.56 0.39 -2.31 3.10 7.35 -1.26 -3.66 117.46 120.51 2b3w n PHE 32 Ca 0.02 -0.19 -0.41 0.00 -0.76 0.00 0.00 57.45 56.11 2b3w n PHE 32 Cb 0.01 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.81 2b3w n PHE 32 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2b3w s ALA 33 N -1.61 3.46 -1.43 3.13 0.00 -0.85 -4.92 121.76 119.53 2b3w s ALA 33 Ca 0.37 1.05 -0.07 0.00 0.00 0.00 0.00 51.96 53.30 2b3w s ALA 33 Cb 0.22 -3.41 0.05 0.00 0.00 0.00 0.00 23.12 19.97 2b3w s ALA 33 CO 0.31 -0.40 2.57 0.00 0.00 0.00 0.00 175.76 178.24 2b3w n ALA 34 N 1.60 7.00 -2.65 0.00 0.00 -1.26 -4.42 120.51 120.78 2b3w n ALA 34 Ca 0.02 -3.89 -0.41 0.00 0.00 0.00 0.00 53.44 49.16 2b3w n ALA 34 Cb 0.44 -3.01 -0.11 0.00 0.00 0.00 0.00 19.45 16.77 2b3w n ALA 34 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2b3w s TRP 35 N 0.18 3.22 0.25 0.00 0.52 -1.25 -4.95 118.94 116.92 2b3w s TRP 35 Ca 0.59 -0.54 -0.31 0.00 0.02 0.00 0.00 56.10 55.86 2b3w s TRP 35 Cb 0.18 -2.47 -0.11 0.00 -1.15 0.00 0.00 33.47 29.92 2b3w s TRP 35 CO -0.08 -0.50 1.64 -1.25 0.02 0.00 0.00 176.95 176.78 2b3w s PRO 36 N 1.65 4.13 -0.07 4.98 0.04 -1.26 -4.42 135.00 140.05 2b3w s PRO 36 Ca 0.05 2.57 0.03 0.00 0.04 0.00 0.00 61.00 63.68 2b3w s PRO 36 Cb -0.18 -3.05 0.01 0.00 0.04 0.00 0.00 34.50 31.31 2b3w s PRO 36 CO 0.09 -0.67 -0.16 0.96 0.04 0.00 0.00 177.00 177.26 2b3w s ILE 37 N 0.52 1.41 -0.71 0.56 -4.36 -0.24 -4.95 121.20 113.44 2b3w s ILE 37 Ca 0.68 -0.65 -0.23 0.00 -0.26 0.00 0.00 60.65 60.20 2b3w s ILE 37 Cb -0.48 -1.26 0.07 0.00 1.25 0.00 0.00 42.46 42.04 2b3w s ILE 37 CO 0.41 0.42 1.04 -0.75 0.24 0.00 0.00 174.94 176.29 2b3w s LYS 38 N 0.53 3.18 -0.08 0.37 2.47 -1.26 -0.23 119.74 124.73 2b3w s LYS 38 Ca -0.15 -0.85 0.03 0.00 -1.56 0.00 0.00 55.97 53.43 2b3w s LYS 38 Cb -0.16 -4.33 0.01 0.00 -1.46 0.00 0.00 37.83 31.89 2b3w s LYS 38 CO 0.05 -1.88 -0.15 0.08 0.16 0.00 0.00 175.35 173.61 2b3w s VAL 39 N 4.20 1.41 -2.17 4.02 1.01 0.64 -4.73 120.40 124.79 2b3w s VAL 39 Ca 0.26 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2b3w s VAL 39 Cb -0.14 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2b3w s VAL 39 CO 0.08 0.42 0.00 0.47 0.00 0.00 0.00 175.10 176.07 2b3w n ASP 40 N 3.82 -5.47 0.00 3.32 8.00 -1.26 -1.58 116.55 123.38 2b3w n ASP 40 Ca -0.21 0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.77 2b3w n ASP 40 Cb 0.52 -4.81 0.00 0.00 -0.02 0.00 0.00 41.12 36.80 2b3w n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b3w n GLY 41 N -0.42 1.63 3.40 0.44 0.00 -1.26 -5.08 105.19 103.90 2b3w n GLY 41 Ca -0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 2b3w n GLY 41 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2b3w s LYS 42 N -0.58 1.49 -0.34 1.61 2.47 -0.62 -5.10 119.74 118.68 2b3w s LYS 42 Ca 0.00 -1.70 -0.15 0.00 -1.56 0.00 0.00 55.97 52.55 2b3w s LYS 42 Cb 0.00 -1.27 -0.01 0.00 -1.46 0.00 0.00 37.83 35.08 2b3w s LYS 42 CO 0.00 0.16 0.38 0.99 0.16 0.00 0.00 175.35 177.04 2b3w s THR 43 N -2.89 5.15 -0.17 3.43 2.01 -1.26 -0.26 115.64 121.65 2b3w s THR 43 Ca 0.27 0.10 -0.13 0.00 0.31 0.00 0.00 61.69 62.23 2b3w s THR 43 Cb 0.00 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 2b3w s THR 43 CO 0.10 -0.10 0.28 0.26 -0.69 0.00 0.00 174.62 174.47 2b3w s TRP 44 N 2.06 3.44 0.43 4.92 0.52 0.68 -4.90 118.94 126.08 2b3w s TRP 44 Ca 0.13 0.55 0.25 0.00 0.02 0.00 0.00 56.10 57.05 2b3w s TRP 44 Cb -0.16 -2.33 1.40 0.00 -1.15 0.00 0.00 33.47 31.22 2b3w s TRP 44 CO 0.12 0.21 2.07 -1.35 0.02 0.00 0.00 176.95 178.01 2b3w h PRO 45 N 6.79 0.00 -3.30 4.98 0.11 -1.88 -0.63 132.00 138.07 2b3w h PRO 45 Ca -0.40 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 2b3w h PRO 45 Cb 1.16 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.16 2b3w h PRO 45 CO 0.75 0.12 0.01 0.95 -0.21 0.00 0.00 178.00 179.62 2b3w s THR 46 N -4.28 0.04 0.25 -1.15 -4.23 -1.26 -3.75 115.64 101.26 2b3w s THR 46 Ca -0.03 -0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 59.87 2b3w s THR 46 Cb 0.14 -1.32 0.09 0.00 1.34 0.00 0.00 72.50 72.74 2b3w s THR 46 CO 0.60 -0.18 1.72 0.28 -0.54 0.00 0.00 174.62 176.49 2b3w h SER 47 N 2.24 0.74 0.89 3.99 0.02 -1.77 -2.93 113.55 116.73 2b3w h SER 47 Ca -0.32 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.39 2b3w h SER 47 Cb 1.27 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 2b3w h SER 47 CO 0.41 0.86 -0.16 1.05 -1.14 0.00 0.00 176.83 177.86 2b3w h GLU 48 N 0.69 0.00 -0.40 3.45 -0.00 -1.94 -2.27 114.58 114.11 2b3w h GLU 48 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.46 2b3w h GLU 48 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.29 2b3w h GLU 48 CO 0.03 0.16 0.17 0.45 -0.00 0.00 0.00 179.01 179.83 2b3w h HIS 49 N 0.00 0.60 -0.30 2.06 3.86 -1.88 -0.48 115.15 119.02 2b3w h HIS 49 Ca -0.00 -0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.04 2b3w h HIS 49 Cb 0.65 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 2b3w h HIS 49 CO 0.00 0.52 -0.34 -0.92 0.86 0.00 0.00 177.93 178.05 2b3w h TYR 50 N 0.50 0.91 -0.58 2.45 3.20 -1.55 -1.40 116.97 120.49 2b3w h TYR 50 Ca 0.13 -0.28 0.01 0.00 3.14 0.00 0.00 58.73 61.73 2b3w h TYR 50 Cb 0.16 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2b3w h TYR 50 CO -0.00 1.05 0.38 0.35 -1.64 0.00 0.00 178.16 178.30 2b3w h PHE 51 N 0.50 0.71 -0.25 -3.82 3.57 -1.31 0.47 116.94 116.81 2b3w h PHE 51 Ca 0.04 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.42 2b3w h PHE 51 Cb 0.92 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 2b3w h PHE 51 CO 0.07 0.44 -0.40 1.96 -2.23 0.00 0.00 178.31 178.15 2b3w h GLN 52 N 0.76 0.59 -0.33 1.11 7.50 -1.04 -1.86 115.11 121.84 2b3w h GLN 52 Ca 0.22 -0.30 -0.16 0.00 0.50 0.00 0.00 58.65 58.91 2b3w h GLN 52 Cb -0.06 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.47 2b3w h GLN 52 CO -0.06 0.89 -0.44 0.00 -1.50 0.00 0.00 178.83 177.73 2b3w h ALA 53 N 1.07 0.60 0.00 3.87 0.00 -0.74 -3.06 119.26 120.99 2b3w h ALA 53 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2b3w h ALA 53 Cb 0.91 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2b3w h ALA 53 CO 0.08 0.68 -0.15 0.37 0.00 0.00 0.00 179.25 180.23 2b3w h GLN 54 N 0.68 0.00 -0.19 0.00 5.75 -0.89 -3.18 115.11 117.27 2b3w h GLN 54 Ca 0.04 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.55 2b3w h GLN 54 Cb 1.02 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.56 2b3w h GLN 54 CO 0.10 0.00 0.13 -0.22 -2.65 0.00 0.00 178.83 176.19 2b3w h LYS 55 N 0.00 0.21 -5.60 1.69 3.64 -1.23 -3.41 116.57 111.88 2b3w h LYS 55 Ca 0.00 -0.01 -0.60 0.00 -1.27 0.00 0.00 60.65 58.77 2b3w h LYS 55 Cb 0.95 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.63 2b3w h LYS 55 CO 0.00 0.14 -0.30 -0.06 -2.27 0.00 0.00 179.45 176.96 2b3w s PHE 56 N -5.24 3.52 -2.41 1.91 0.40 -1.20 -4.47 117.98 110.49 2b3w s PHE 56 Ca -0.06 0.67 0.27 0.00 -0.60 0.00 0.00 56.93 57.21 2b3w s PHE 56 Cb 0.17 -2.32 1.07 0.00 0.51 0.00 0.00 43.02 42.46 2b3w s PHE 56 CO 0.70 0.33 1.75 1.47 0.70 0.00 0.00 175.22 180.17 2b3w n LEU 57 N 3.19 1.38 -4.57 -0.37 -0.00 -1.26 -4.71 117.00 110.65 2b3w n LEU 57 Ca -0.12 -0.48 -0.43 0.00 -0.00 0.00 0.00 56.01 54.97 2b3w n LEU 57 Cb 0.52 -0.02 -0.04 0.00 -0.00 0.00 0.00 43.42 43.88 2b3w n LEU 57 CO 0.39 0.24 0.75 -0.62 -0.00 0.00 0.00 177.39 178.15 2b3w s ASP 58 N -1.92 6.54 0.04 1.45 2.15 -1.26 -4.91 116.67 118.76 2b3w s ASP 58 Ca 0.38 0.22 0.25 0.00 0.43 0.00 0.00 52.55 53.83 2b3w s ASP 58 Cb 0.20 -2.45 1.03 0.00 -0.30 0.00 0.00 42.92 41.41 2b3w s ASP 58 CO 0.32 -1.00 1.80 -0.62 -0.17 0.00 0.00 175.17 175.50 2b3w n GLU 59 N 7.07 0.04 -0.03 4.34 1.02 -1.26 -2.14 120.64 129.69 2b3w n GLU 59 Ca 0.06 0.10 -0.15 0.00 -0.02 0.00 0.00 57.16 57.15 2b3w n GLU 59 Cb 0.48 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 30.25 2b3w n GLU 59 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2b3w h LYS 60 N 0.00 0.40 -0.51 3.49 1.57 -1.97 -0.79 116.57 118.76 2b3w h LYS 60 Ca 0.00 -0.33 -0.09 0.00 -1.87 0.00 0.00 60.65 58.36 2b3w h LYS 60 Cb 0.47 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 2b3w h LYS 60 CO 0.00 0.97 -0.05 1.88 -0.57 0.00 0.00 179.45 181.68 2b3w h TYR 61 N -0.07 0.98 -0.79 -1.35 0.05 -1.95 -2.61 116.97 111.23 2b3w h TYR 61 Ca -0.03 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.57 2b3w h TYR 61 Cb 1.05 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 38.50 2b3w h TYR 61 CO 0.13 0.91 0.46 -0.09 -1.05 0.00 0.00 178.16 178.52 2b3w h ARG 62 N 0.82 1.08 -0.18 4.88 2.43 -1.35 0.96 114.38 123.02 2b3w h ARG 62 Ca 0.14 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2b3w h ARG 62 Cb 0.56 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2b3w h ARG 62 CO 0.03 0.77 0.11 0.93 -1.51 0.00 0.00 179.97 180.31 2b3w h GLU 63 N 1.10 0.24 -0.04 0.20 4.39 -0.99 -2.25 114.58 117.22 2b3w h GLU 63 Ca 0.28 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 2b3w h GLU 63 Cb -0.02 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2b3w h GLU 63 CO -0.05 0.20 0.02 1.49 -1.16 0.00 0.00 179.01 179.51 2b3w h GLU 64 N 0.22 0.06 0.00 2.33 4.57 -0.92 -2.51 114.58 118.32 2b3w h GLU 64 Ca 0.06 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2b3w h GLU 64 Cb 0.02 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2b3w h GLU 64 CO -0.01 0.10 -0.16 0.82 -1.18 0.00 0.00 179.01 178.57 2b3w h ILE 65 N 0.00 0.90 0.00 2.32 2.04 -0.84 -1.17 117.51 120.76 2b3w h ILE 65 Ca 0.01 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 2b3w h ILE 65 Cb 0.06 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2b3w h ILE 65 CO -0.00 0.16 -0.32 -0.09 0.00 0.00 0.00 178.15 177.90 2b3w h ARG 66 N 0.00 0.00 0.00 2.37 2.43 -1.05 -3.26 114.38 114.87 2b3w h ARG 66 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2b3w h ARG 66 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2b3w h ARG 66 CO 0.02 0.32 -1.00 0.54 -1.51 0.00 0.00 179.97 178.34 2b3w n ARG 67 N -3.26 0.29 -3.01 0.20 1.74 -0.49 -4.87 116.66 107.26 2b3w n ARG 67 Ca 0.02 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.70 2b3w n ARG 67 Cb 0.60 -1.60 -0.05 0.00 -1.02 0.00 0.00 32.46 30.39 2b3w n ARG 67 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2b3w s VAL 68 N -3.20 4.95 -1.40 1.55 -7.23 -0.90 -4.92 120.40 109.25 2b3w s VAL 68 Ca 0.04 1.53 0.27 0.00 -1.81 0.00 0.00 61.98 62.00 2b3w s VAL 68 Cb 0.14 -4.07 0.22 0.00 0.56 0.00 0.00 36.38 33.23 2b3w s VAL 68 CO 0.80 0.28 1.61 -0.24 -0.31 0.00 0.00 175.10 177.24 2b3w n SER 69 N 3.48 0.63 -4.60 4.85 2.88 -1.26 -4.83 113.62 114.77 2b3w n SER 69 Ca -0.01 -0.47 -0.42 0.00 -1.33 0.00 0.00 58.87 56.64 2b3w n SER 69 Cb 0.51 0.07 -0.05 0.00 -0.75 0.00 0.00 64.21 63.99 2b3w n SER 69 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2b3w s SER 70 N -2.71 6.59 -0.01 -3.46 0.01 -1.26 -4.96 113.70 107.89 2b3w s SER 70 Ca 0.20 0.49 -0.25 0.00 1.31 0.00 0.00 55.95 57.70 2b3w s SER 70 Cb 0.19 -2.39 -0.19 0.00 0.21 0.00 0.00 66.02 63.84 2b3w s SER 70 CO 0.57 -0.64 1.24 -0.65 0.41 0.00 0.00 173.24 174.17 2b3w h PRO 71 N 8.28 -0.10 -0.71 12.44 0.11 -1.99 -2.75 132.00 147.28 2b3w h PRO 71 Ca -0.25 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.83 2b3w h PRO 71 Cb 1.10 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2b3w h PRO 71 CO 0.88 0.32 0.28 0.52 -0.21 0.00 0.00 178.00 179.79 2b3w h MET 72 N -0.56 1.05 -0.65 1.05 2.86 -1.99 0.20 114.93 116.89 2b3w h MET 72 Ca -0.01 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.38 2b3w h MET 72 Cb 0.47 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 2b3w h MET 72 CO 0.02 0.85 0.14 0.28 1.06 0.00 0.00 176.91 179.26 2b3w h VAL 73 N 1.02 1.26 0.07 -2.22 2.07 -1.99 -1.21 116.25 115.25 2b3w h VAL 73 Ca 0.24 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 2b3w h VAL 73 Cb 0.20 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2b3w h VAL 73 CO -0.02 0.36 -0.03 0.00 0.02 0.00 0.00 177.57 177.90 2b3w h ALA 74 N 1.15 -0.09 -0.99 1.67 0.00 -0.94 -2.74 119.26 117.33 2b3w h ALA 74 Ca 0.20 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2b3w h ALA 74 Cb 0.38 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2b3w h ALA 74 CO 0.01 -0.36 0.64 0.00 0.00 0.00 0.00 179.25 179.54 2b3w h ALA 75 N 0.43 1.39 0.27 0.00 0.00 -0.58 0.37 119.26 121.13 2b3w h ALA 75 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2b3w h ALA 75 Cb 0.41 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2b3w h ALA 75 CO 0.01 0.48 -0.13 -0.09 0.00 0.00 0.00 179.25 179.53 2b3w h ARG 76 N 1.20 -0.35 0.00 0.00 2.43 -1.21 0.11 114.38 116.56 2b3w h ARG 76 Ca 0.41 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 2b3w h ARG 76 Cb 0.10 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2b3w h ARG 76 CO -0.15 -0.05 0.00 0.00 -1.51 0.00 0.00 179.97 178.26 2b3w h MET 77 N -0.65 0.00 0.00 0.20 -0.00 -1.34 -2.81 114.93 110.33 2b3w h MET 77 Ca -0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.63 2b3w h MET 77 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.05 2b3w h MET 77 CO 0.06 0.00 -0.46 0.78 -0.00 0.00 0.00 176.91 177.29 2b3w h GLY 78 N 3.31 0.00 1.92 -3.00 0.00 -0.16 -3.15 103.07 101.99 2b3w h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2b3w h GLY 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.41 2b3w n ARG 79 N -3.01 0.05 -1.63 4.80 0.63 0.02 -4.84 116.66 112.68 2b3w n ARG 79 Ca 0.01 0.15 -0.48 0.00 -0.92 0.00 0.00 57.85 56.62 2b3w n ARG 79 Cb 0.61 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 31.97 2b3w n ARG 79 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2b3w n ASP 80 N -1.46 2.28 -0.09 6.15 -0.08 -1.19 -4.89 116.55 117.26 2b3w n ASP 80 Ca 0.06 1.12 0.04 0.00 -1.51 0.00 0.00 54.79 54.49 2b3w n ASP 80 Cb 0.22 -1.32 -0.02 0.00 2.34 0.00 0.00 41.12 42.33 2b3w n ASP 80 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2b3w n ARG 81 N 2.53 3.30 0.20 -0.67 0.00 -1.26 -4.47 116.66 116.29 2b3w n ARG 81 Ca 0.16 -0.27 0.12 0.00 -0.00 0.00 0.00 57.85 57.86 2b3w n ARG 81 Cb 0.26 -0.95 0.22 0.00 0.00 0.00 0.00 32.46 31.99 2b3w n ARG 81 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2b3w h SER 82 N 0.46 0.00 -4.32 6.15 0.02 -2.00 -3.45 113.55 110.41 2b3w h SER 82 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 2b3w h SER 82 Cb 0.24 0.00 0.10 0.00 0.14 0.00 0.00 62.40 62.88 2b3w h SER 82 CO 0.00 0.00 0.36 -0.54 -1.14 0.00 0.00 176.83 175.51 2b3w s LYS 83 N -3.20 2.61 -0.14 3.45 -0.14 -1.26 -4.96 119.74 116.10 2b3w s LYS 83 Ca 0.08 0.82 -0.29 0.00 -1.36 0.00 0.00 55.97 55.22 2b3w s LYS 83 Cb 0.06 -1.96 -0.05 0.00 -1.68 0.00 0.00 37.83 34.20 2b3w s LYS 83 CO 0.65 -1.30 1.88 -1.25 -0.76 0.00 0.00 175.35 174.57 2b3w s PRO 84 N -5.09 3.72 0.56 -1.68 0.04 -1.26 -4.99 135.00 126.30 2b3w s PRO 84 Ca 0.59 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.65 2b3w s PRO 84 Cb -0.14 -4.16 0.02 0.00 0.04 0.00 0.00 34.50 30.26 2b3w s PRO 84 CO 0.55 -1.41 0.82 -0.51 0.04 0.00 0.00 177.00 176.49 2b3w s LEU 85 N 5.80 3.29 0.18 -3.56 1.43 -1.26 -4.31 118.68 120.25 2b3w s LEU 85 Ca 0.84 0.35 -0.21 0.00 -1.03 0.00 0.00 54.13 54.09 2b3w s LEU 85 Cb -0.32 -3.18 -0.08 0.00 0.03 0.00 0.00 46.19 42.64 2b3w s LEU 85 CO 0.34 -1.07 0.71 -0.13 0.23 0.00 0.00 176.35 176.43 2b3w s ARG 86 N -4.85 4.31 0.13 1.70 0.52 -1.26 -4.94 118.95 114.56 2b3w s ARG 86 Ca 0.54 0.90 -0.19 0.00 -0.52 0.00 0.00 55.73 56.46 2b3w s ARG 86 Cb -0.10 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 2b3w s ARG 86 CO 0.41 0.48 1.75 -0.22 0.02 0.00 0.00 175.30 177.74 2b3w h LYS 87 N 3.80 0.18 -1.05 3.54 3.64 -2.00 -2.35 116.57 122.34 2b3w h LYS 87 Ca -0.48 -0.01 -0.47 0.00 -1.27 0.00 0.00 60.65 58.42 2b3w h LYS 87 Cb 1.20 -0.04 -0.25 0.00 -0.41 0.00 0.00 32.23 32.73 2b3w h LYS 87 CO 0.65 0.12 0.59 0.09 -2.27 0.00 0.00 179.45 178.64 2b3w n ASN 88 N -5.03 4.67 -0.24 4.20 5.03 -1.26 -4.62 115.26 118.02 2b3w n ASN 88 Ca -0.02 -3.39 -0.00 0.00 0.87 0.00 0.00 54.58 52.04 2b3w n ASN 88 Cb 0.07 -0.84 0.12 0.00 -1.02 0.00 0.00 39.78 38.10 2b3w n ASN 88 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.26 175.18 2b3w h TRP 89 N 1.11 0.65 0.00 3.10 -0.00 -1.82 0.46 115.95 119.45 2b3w h TRP 89 Ca 0.52 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.44 2b3w h TRP 89 Cb 2.06 -0.19 0.00 0.00 -0.00 0.00 0.00 29.16 31.03 2b3w h TRP 89 CO 1.29 0.27 0.00 1.05 -0.00 0.00 0.00 178.44 181.05 2b3w h GLU 90 N 0.64 0.00 0.09 2.65 4.11 -1.85 0.25 114.58 120.46 2b3w h GLU 90 Ca 0.32 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.43 2b3w h GLU 90 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2b3w h GLU 90 CO -0.23 0.00 -1.76 0.43 0.07 0.00 0.00 179.01 177.52 2b3w n SER 91 N -2.92 2.04 0.16 3.06 7.64 -0.34 -4.07 113.62 119.19 2b3w n SER 91 Ca 0.01 0.28 0.13 0.00 1.01 0.00 0.00 58.87 60.30 2b3w n SER 91 Cb 0.27 -0.90 0.32 0.00 -1.01 0.00 0.00 64.21 62.88 2b3w n SER 91 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2b3w h VAL 92 N -0.29 0.00 -0.47 0.44 -1.51 -0.85 -3.24 116.25 110.34 2b3w h VAL 92 Ca -0.40 -0.69 0.09 0.00 -1.23 0.00 0.00 66.70 64.47 2b3w h VAL 92 Cb 1.79 1.68 -0.09 0.00 -2.13 0.00 0.00 31.29 32.55 2b3w h VAL 92 CO -0.01 0.00 -0.13 0.50 -1.23 0.00 0.00 177.57 176.70 2b3w h LYS 93 N 0.00 -0.01 -0.66 5.19 3.64 -0.65 0.43 116.57 124.51 2b3w h LYS 93 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2b3w h LYS 93 Cb 0.83 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 2b3w h LYS 93 CO 0.00 -0.01 0.23 0.93 -2.27 0.00 0.00 179.45 178.33 2b3w h GLU 94 N -0.01 0.99 0.19 1.90 4.39 -1.74 -2.13 114.58 118.17 2b3w h GLU 94 Ca 0.22 -0.18 -0.26 0.00 0.34 0.00 0.00 59.36 59.48 2b3w h GLU 94 Cb 0.35 -0.16 0.03 0.00 -0.10 0.00 0.00 28.75 28.87 2b3w h GLU 94 CO -0.49 0.83 -1.14 1.96 -1.16 0.00 0.00 179.01 179.01 2b3w h GLN 95 N 0.96 0.44 -0.75 2.33 1.08 -1.38 -2.06 115.11 115.73 2b3w h GLN 95 Ca 0.22 -0.72 -0.02 0.00 -1.45 0.00 0.00 58.65 56.68 2b3w h GLN 95 Cb 0.24 0.27 -0.04 0.00 -0.05 0.00 0.00 27.48 27.90 2b3w h GLN 95 CO -0.01 1.34 0.41 0.28 -0.95 0.00 0.00 178.83 179.90 2b3w h VAL 96 N -0.09 1.23 -0.39 -0.54 2.07 -0.19 0.25 116.25 118.59 2b3w h VAL 96 Ca -0.20 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 2b3w h VAL 96 Cb 1.89 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 2b3w h VAL 96 CO 0.21 0.25 0.18 -0.03 0.02 0.00 0.00 177.57 178.21 2b3w h MET 97 N 1.03 0.56 -0.62 1.57 1.85 -1.43 -1.03 114.93 116.86 2b3w h MET 97 Ca 0.26 -0.08 -0.05 0.00 -0.61 0.00 0.00 59.70 59.22 2b3w h MET 97 Cb 0.04 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 31.94 2b3w h MET 97 CO -0.04 0.50 0.17 -0.09 -0.40 0.00 0.00 176.91 177.05 2b3w h ARG 98 N 0.49 0.96 -0.45 0.39 2.43 -0.92 0.12 114.38 117.40 2b3w h ARG 98 Ca 0.13 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2b3w h ARG 98 Cb 0.12 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2b3w h ARG 98 CO -0.02 0.84 0.24 -0.22 -1.51 0.00 0.00 179.97 179.30 2b3w h LYS 99 N 0.92 0.63 -0.29 0.20 3.64 -0.17 0.45 116.57 121.96 2b3w h LYS 99 Ca 0.20 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 2b3w h LYS 99 Cb 0.30 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2b3w h LYS 99 CO -0.00 0.51 -0.03 0.00 -2.27 0.00 0.00 179.45 177.65 2b3w h ALA 100 N 1.09 0.40 -0.07 5.00 0.00 -0.90 -1.57 119.26 123.20 2b3w h ALA 100 Ca 0.16 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2b3w h ALA 100 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2b3w h ALA 100 CO -0.02 0.18 0.02 -0.07 0.00 0.00 0.00 179.25 179.36 2b3w h LEU 101 N 0.31 0.03 -0.16 0.00 3.38 -0.52 -1.31 115.31 117.05 2b3w h LEU 101 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2b3w h LEU 101 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2b3w h LEU 101 CO 0.02 0.03 0.09 -0.09 0.09 0.00 0.00 178.44 178.58 2b3w h ARG 102 N 0.06 0.19 -0.94 1.13 2.43 -0.08 -0.70 114.38 116.46 2b3w h ARG 102 Ca 0.03 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2b3w h ARG 102 Cb 0.01 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.45 2b3w h ARG 102 CO -0.03 0.13 0.61 0.00 -1.51 0.00 0.00 179.97 179.17 2b3w h ALA 103 N 1.06 1.50 -0.09 2.80 0.00 -1.14 0.49 119.26 123.88 2b3w h ALA 103 Ca 0.06 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2b3w h ALA 103 Cb -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2b3w h ALA 103 CO -0.02 0.34 -0.22 -0.22 0.00 0.00 0.00 179.25 179.13 2b3w h LYS 104 N 1.05 0.31 0.20 0.00 3.11 -0.61 -2.49 116.57 118.13 2b3w h LYS 104 Ca 0.42 -0.21 -0.33 0.00 -2.81 0.00 0.00 60.65 57.72 2b3w h LYS 104 Cb 0.25 0.03 0.02 0.00 -1.00 0.00 0.00 32.23 31.53 2b3w h LYS 104 CO -0.17 0.82 -1.52 0.74 -2.81 0.00 0.00 179.45 176.50 2b3w h PHE 105 N -0.14 0.77 0.03 1.91 0.04 -0.89 -3.25 116.94 115.40 2b3w h PHE 105 Ca -0.00 -0.56 -0.22 0.00 2.80 0.00 0.00 57.97 59.99 2b3w h PHE 105 Cb 0.82 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 2b3w h PHE 105 CO 0.11 1.52 -0.97 1.49 -0.60 0.00 0.00 178.31 179.86 2b3w h GLU 106 N 0.11 0.26 -0.00 1.51 4.81 -0.14 -2.96 114.58 118.17 2b3w h GLU 106 Ca -0.26 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 2b3w h GLU 106 Cb 2.10 0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.58 2b3w h GLU 106 CO 0.22 1.05 -0.05 1.04 -0.73 0.00 0.00 179.01 180.54 2b3w n GLN 107 N -3.64 0.90 -3.87 1.92 6.02 -0.94 -4.51 117.38 113.27 2b3w n GLN 107 Ca -0.05 -0.27 -0.30 0.00 -0.01 0.00 0.00 57.00 56.37 2b3w n GLN 107 Cb 0.86 -1.49 -0.15 0.00 1.02 0.00 0.00 30.24 30.48 2b3w n GLN 107 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2b3w s HIS 108 N -2.28 2.66 0.47 1.08 3.76 -1.12 -4.97 115.29 114.89 2b3w s HIS 108 Ca 0.35 -2.31 0.16 0.00 -0.15 0.00 0.00 55.06 53.11 2b3w s HIS 108 Cb 0.21 -2.26 1.15 0.00 1.11 0.00 0.00 32.58 32.78 2b3w s HIS 108 CO 0.42 -0.91 2.04 0.00 -0.85 0.00 0.00 174.74 175.44 2b3w h ALA 109 N 7.87 2.08 -0.12 -1.40 0.00 -1.79 -0.54 119.26 125.35 2b3w h ALA 109 Ca -0.09 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2b3w h ALA 109 Cb 1.02 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2b3w h ALA 109 CO 0.49 -0.16 -0.07 0.93 0.00 0.00 0.00 179.25 180.44 2b3w h GLU 110 N 0.24 -0.07 0.01 0.00 3.07 -1.93 -1.72 114.58 114.17 2b3w h GLU 110 Ca 0.19 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.86 2b3w h GLU 110 Cb 0.43 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 2b3w h GLU 110 CO -0.04 -0.04 -0.88 -0.07 -1.40 0.00 0.00 179.01 176.58 2b3w h LEU 111 N -0.07 0.13 -0.58 1.33 3.38 -1.52 -2.69 115.31 115.29 2b3w h LEU 111 Ca 0.07 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2b3w h LEU 111 Cb 0.17 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2b3w h LEU 111 CO -0.16 0.95 0.37 -0.09 0.09 0.00 0.00 178.44 179.59 2b3w h ARG 112 N 0.05 0.71 -0.30 1.13 2.43 -0.96 0.87 114.38 118.32 2b3w h ARG 112 Ca -0.03 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2b3w h ARG 112 Cb 1.53 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 2b3w h ARG 112 CO 0.13 0.47 0.18 0.00 -1.51 0.00 0.00 179.97 179.23 2b3w h ALA 113 N 1.24 0.38 -0.25 2.80 0.00 -1.14 0.82 119.26 123.11 2b3w h ALA 113 Ca 0.23 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2b3w h ALA 113 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2b3w h ALA 113 CO -0.08 -0.11 0.14 1.25 0.00 0.00 0.00 179.25 180.44 2b3w h LEU 114 N 0.38 0.22 0.05 0.00 5.85 -1.15 -1.28 115.31 119.38 2b3w h LEU 114 Ca 0.11 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2b3w h LEU 114 Cb 0.02 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2b3w h LEU 114 CO -0.02 0.16 -0.03 0.25 -0.34 0.00 0.00 178.44 178.47 2b3w h LEU 115 N 0.29 -0.06 -0.45 2.25 5.85 -0.60 -2.87 115.31 119.71 2b3w h LEU 115 Ca 0.10 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2b3w h LEU 115 Cb 0.01 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2b3w h LEU 115 CO -0.06 0.08 0.00 0.18 -0.34 0.00 0.00 178.44 178.30 2b3w n LEU 116 N -5.06 0.49 0.23 2.25 4.32 0.26 -1.95 117.00 117.54 2b3w n LEU 116 Ca -0.08 0.61 0.11 0.00 -0.02 0.00 0.00 56.01 56.63 2b3w n LEU 116 Cb 0.11 -0.54 0.44 0.00 -1.62 0.00 0.00 43.42 41.81 2b3w n LEU 116 CO 0.33 -0.44 0.81 0.00 -1.22 0.00 0.00 177.39 176.88 2b3w h ALA 117 N 2.37 0.98 0.00 -1.18 0.00 -0.99 -3.17 119.26 117.27 2b3w h ALA 117 Ca 0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.55 2b3w h ALA 117 Cb 0.36 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2b3w h ALA 117 CO 0.00 0.22 -0.93 1.79 0.00 0.00 0.00 179.25 180.33 2b3w h THR 118 N 0.00 1.67 -2.42 0.00 1.35 -1.47 -3.39 112.91 108.66 2b3w h THR 118 Ca -0.00 -3.21 -0.61 0.00 -0.55 0.00 0.00 66.41 62.04 2b3w h THR 118 Cb 0.78 2.73 0.09 0.00 -1.73 0.00 0.00 68.15 70.02 2b3w h THR 118 CO 0.02 0.92 0.35 0.00 -0.25 0.00 0.00 175.52 176.56 2b3w n ALA 119 N -2.36 0.09 -1.53 6.62 0.00 -1.20 0.03 120.51 122.16 2b3w n ALA 119 Ca -0.00 0.42 -0.35 0.00 0.00 0.00 0.00 53.44 53.50 2b3w n ALA 119 Cb 0.89 -2.11 0.07 0.00 0.00 0.00 0.00 19.45 18.29 2b3w n ALA 119 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2b3w n PRO 120 N 1.44 2.77 -1.36 0.00 -0.04 -1.26 -4.94 135.00 131.61 2b3w n PRO 120 Ca 0.12 -3.41 -0.31 0.00 -0.04 0.00 0.00 63.50 59.85 2b3w n PRO 120 Cb 0.30 -2.28 0.08 0.00 -0.04 0.00 0.00 33.50 31.55 2b3w n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2b3w s ALA 121 N -3.87 2.31 -0.24 0.55 0.00 0.10 -4.86 121.76 115.75 2b3w s ALA 121 Ca 0.61 0.31 -0.20 0.00 0.00 0.00 0.00 51.96 52.67 2b3w s ALA 121 Cb 0.49 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 2b3w s ALA 121 CO -0.11 -1.66 0.63 0.21 0.00 0.00 0.00 175.76 174.83 2b3w s LYS 122 N -4.76 4.14 -0.47 0.00 2.20 0.53 -4.95 119.74 116.43 2b3w s LYS 122 Ca 0.62 0.57 -0.22 0.00 -0.36 0.00 0.00 55.97 56.58 2b3w s LYS 122 Cb -0.18 -3.63 0.03 0.00 -1.51 0.00 0.00 37.83 32.55 2b3w s LYS 122 CO 0.53 -0.36 0.75 -0.51 -0.36 0.00 0.00 175.35 175.41 2b3w s LEU 123 N 2.32 4.38 -0.09 5.43 1.43 -1.26 -0.91 118.68 129.98 2b3w s LEU 123 Ca 0.27 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 2b3w s LEU 123 Cb -0.16 -2.82 0.04 0.00 0.03 0.00 0.00 46.19 43.28 2b3w s LEU 123 CO 0.09 -0.93 0.04 -0.69 0.23 0.00 0.00 176.35 175.10 2b3w s VAL 124 N 3.19 0.12 -0.44 -1.59 1.01 -1.04 -4.47 120.40 117.20 2b3w s VAL 124 Ca 0.26 0.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.14 2b3w s VAL 124 Cb -0.13 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.83 2b3w s VAL 124 CO 0.20 0.09 0.74 -0.70 0.00 0.00 0.00 175.10 175.43 2b3w s GLU 125 N 2.07 3.41 -1.31 2.72 2.12 -1.26 -3.39 118.70 123.05 2b3w s GLU 125 Ca 0.04 -0.14 -0.16 0.00 0.36 0.00 0.00 54.97 55.07 2b3w s GLU 125 Cb -0.13 -3.92 0.09 0.00 0.26 0.00 0.00 34.13 30.42 2b3w s GLU 125 CO -0.05 -1.05 1.79 1.58 -0.54 0.00 0.00 175.26 176.99 2b3w n HIS 126 N 6.54 4.38 -3.01 5.30 -0.00 -1.24 -1.96 115.22 125.24 2b3w n HIS 126 Ca 0.01 -2.96 -0.44 0.00 -0.00 0.00 0.00 57.72 54.33 2b3w n HIS 126 Cb 0.48 -2.49 -0.04 0.00 -0.00 0.00 0.00 29.99 27.94 2b3w n HIS 126 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2b3w s THR 127 N 3.27 4.65 -0.65 3.57 2.01 -1.26 -4.86 115.64 122.36 2b3w s THR 127 Ca 0.50 -0.83 0.25 0.00 0.31 0.00 0.00 61.69 61.92 2b3w s THR 127 Cb 0.05 -4.58 0.30 0.00 0.01 0.00 0.00 72.50 68.28 2b3w s THR 127 CO 0.03 -1.27 1.74 -0.08 -0.69 0.00 0.00 174.62 174.34 2b3w h GLU 128 N 9.28 0.00 -4.62 4.92 4.81 -1.90 -2.82 114.58 124.25 2b3w h GLU 128 Ca -0.25 0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 58.28 2b3w h GLU 128 Cb 1.08 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.24 2b3w h GLU 128 CO 1.13 0.00 -0.48 -0.80 -0.73 0.00 0.00 179.01 178.12 2b3w s ASN 129 N -4.89 5.93 0.01 1.04 0.02 -1.26 -4.44 114.94 111.35 2b3w s ASN 129 Ca 0.09 -0.74 0.00 0.00 -1.02 0.00 0.00 52.86 51.19 2b3w s ASN 129 Cb 0.11 -2.10 0.00 0.00 0.02 0.00 0.00 41.25 39.28 2b3w s ASN 129 CO 0.60 -0.34 0.00 0.47 0.02 0.00 0.00 177.10 177.85 2b3w n ASP 130 N 5.08 -4.76 -4.48 -1.22 8.00 -1.26 -4.91 116.55 113.00 2b3w n ASP 130 Ca -0.12 0.68 -0.43 0.00 0.71 0.00 0.00 54.79 55.63 2b3w n ASP 130 Cb 0.48 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.12 39.01 2b3w n ASP 130 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b3w s ALA 131 N -0.22 3.11 -0.30 2.24 0.00 -1.26 -4.63 121.76 120.69 2b3w s ALA 131 Ca 0.00 -2.25 -0.02 0.00 0.00 0.00 0.00 51.96 49.69 2b3w s ALA 131 Cb 0.00 -4.10 0.18 0.00 0.00 0.00 0.00 23.12 19.21 2b3w s ALA 131 CO 0.00 -3.06 0.60 -0.47 0.00 0.00 0.00 175.76 172.83 2b3w s TYR 132 N 3.84 -1.56 0.00 0.00 5.04 -1.09 -4.81 117.35 118.77 2b3w s TYR 132 Ca 0.32 1.76 0.00 0.00 -2.44 0.00 0.00 57.07 56.71 2b3w s TYR 132 Cb -0.08 0.58 0.00 0.00 0.35 0.00 0.00 41.96 42.81 2b3w s TYR 132 CO -0.01 -0.85 0.00 0.91 -1.34 0.00 0.00 175.55 174.26 2b3w n TRP 133 N 5.43 0.00 -3.05 4.97 5.03 -0.59 -4.94 117.44 124.29 2b3w n TRP 133 Ca -0.02 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.51 2b3w n TRP 133 Cb 0.51 -0.95 0.00 0.00 -1.03 0.00 0.00 31.31 29.84 2b3w n TRP 133 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2b3w n GLY 134 N -1.20 6.97 0.05 6.99 0.00 -1.10 -4.42 105.19 112.48 2b3w n GLY 134 Ca 0.00 -1.87 0.12 0.00 0.00 0.00 0.00 46.02 44.27 2b3w n GLY 134 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2b3w n ASP 135 N -0.07 0.65 -0.65 1.61 5.75 -0.83 -0.58 116.55 122.43 2b3w n ASP 135 Ca 0.00 -0.01 -0.09 0.00 -0.01 0.00 0.00 54.79 54.69 2b3w n ASP 135 Cb 0.00 0.32 -0.04 0.00 -1.03 0.00 0.00 41.12 40.37 2b3w n ASP 135 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2b3w n GLY 136 N 1.37 1.00 1.02 6.12 0.00 -1.08 0.10 105.19 113.72 2b3w n GLY 136 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2b3w n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b3w n GLY 137 N -1.41 0.75 0.00 -0.02 0.00 -1.09 -4.69 105.19 98.73 2b3w n GLY 137 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2b3w n GLY 137 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2b3w n HIS 138 N -2.46 0.00 0.00 1.61 1.44 -0.94 -4.97 115.22 109.89 2b3w n HIS 138 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2b3w n HIS 138 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2b3w n HIS 138 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2b3w n GLY 139 N -1.23 2.97 2.40 -1.39 0.00 0.29 -5.00 105.19 103.22 2b3w n GLY 139 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 2b3w n GLY 139 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2b3w n LYS 140 N 0.00 2.81 -0.10 1.61 4.81 -1.20 -3.77 118.16 122.32 2b3w n LYS 140 Ca 0.00 -1.73 0.04 0.00 -0.87 0.00 0.00 58.31 55.75 2b3w n LYS 140 Cb 0.00 -2.55 0.05 0.00 0.02 0.00 0.00 35.03 32.56 2b3w n LYS 140 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2b3w n GLY 141 N 3.52 2.57 2.41 3.14 0.00 -1.03 -4.80 105.19 111.00 2b3w n GLY 141 Ca 0.60 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 2b3w n GLY 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b3w n LYS 142 N -0.72 -2.22 0.00 1.61 5.02 -1.13 -1.54 118.16 119.18 2b3w n LYS 142 Ca 0.06 0.47 0.04 0.00 -2.02 0.00 0.00 58.31 56.86 2b3w n LYS 142 Cb 0.50 -4.08 0.22 0.00 -0.02 0.00 0.00 35.03 31.64 2b3w n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2b3w n ASN 143 N -2.34 0.00 0.25 4.39 5.15 0.26 -3.21 115.26 119.76 2b3w n ASN 143 Ca -0.09 -0.66 0.11 0.00 -0.60 0.00 0.00 54.58 53.34 2b3w n ASN 143 Cb 0.58 0.00 0.58 0.00 -0.53 0.00 0.00 39.78 40.41 2b3w n ASN 143 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2b3w h ARG 144 N 0.00 0.00 0.72 1.20 -0.00 -1.86 0.23 114.38 114.67 2b3w h ARG 144 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.45 2b3w h ARG 144 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 29.97 2b3w h ARG 144 CO 0.00 0.00 -0.42 1.25 0.00 0.00 0.00 179.97 180.80 2b3w h LEU 145 N 0.00 -1.04 -1.93 3.04 5.85 -1.76 0.34 115.31 119.81 2b3w h LEU 145 Ca 0.00 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2b3w h LEU 145 Cb 0.61 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 2b3w h LEU 145 CO 0.00 -0.66 0.06 1.23 -0.34 0.00 0.00 178.44 178.73 2b3w h GLY 146 N -1.06 0.10 1.06 3.75 0.00 -0.80 0.31 103.07 106.43 2b3w h GLY 146 Ca -0.09 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 2b3w h GLY 146 CO 0.11 0.04 -0.09 -1.82 0.00 0.00 0.00 176.54 174.78 2b3w h TYR 147 N 0.09 1.08 -0.20 5.60 3.20 -0.98 -0.34 116.97 125.42 2b3w h TYR 147 Ca 0.04 -0.22 -0.10 0.00 3.14 0.00 0.00 58.73 61.59 2b3w h TYR 147 Cb 0.03 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 2b3w h TYR 147 CO -0.00 1.01 -0.31 -0.07 -1.64 0.00 0.00 178.16 177.15 2b3w h LEU 148 N 0.83 0.41 -0.85 2.82 3.38 0.83 0.86 115.31 123.60 2b3w h LEU 148 Ca 0.14 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2b3w h LEU 148 Cb 0.64 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 2b3w h LEU 148 CO 0.04 0.70 0.56 -0.07 0.09 0.00 0.00 178.44 179.76 2b3w h LEU 149 N 0.35 0.95 0.19 1.67 4.07 -0.62 0.09 115.31 122.00 2b3w h LEU 149 Ca 0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 2b3w h LEU 149 Cb 0.72 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2b3w h LEU 149 CO 0.06 0.68 -0.09 0.24 -1.08 0.00 0.00 178.44 178.25 2b3w h MET 150 N 1.12 -0.24 -0.45 1.13 2.86 -0.29 0.11 114.93 119.17 2b3w h MET 150 Ca 0.32 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 58.06 2b3w h MET 150 Cb -0.09 0.06 -0.10 0.00 0.06 0.00 0.00 31.60 31.53 2b3w h MET 150 CO -0.08 -0.10 -0.32 0.93 1.06 0.00 0.00 176.91 178.40 2b3w h GLU 151 N -0.33 -0.22 -0.44 1.72 4.39 -0.47 -0.22 114.58 119.02 2b3w h GLU 151 Ca -0.03 0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 2b3w h GLU 151 Cb 0.26 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2b3w h GLU 151 CO 0.04 -0.14 -0.29 1.25 -1.16 0.00 0.00 179.01 178.70 2b3w h LEU 152 N -0.23 1.02 -0.06 1.33 5.85 -0.95 -2.72 115.31 119.57 2b3w h LEU 152 Ca 0.19 -0.43 0.02 0.00 0.84 0.00 0.00 57.88 58.50 2b3w h LEU 152 Cb 0.54 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2b3w h LEU 152 CO -0.57 1.23 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.63 2b3w h ARG 153 N 0.82 -0.04 -0.36 1.25 2.43 0.05 0.57 114.38 119.10 2b3w h ARG 153 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2b3w h ARG 153 Cb 0.88 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 2b3w h ARG 153 CO 0.08 -0.03 0.24 0.93 -1.51 0.00 0.00 179.97 179.69 2b3w h GLU 154 N -0.04 0.48 -0.88 0.20 4.39 -1.09 0.17 114.58 117.81 2b3w h GLU 154 Ca 0.04 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.73 2b3w h GLU 154 Cb 0.09 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 2b3w h GLU 154 CO -0.08 0.32 0.58 0.37 -1.16 0.00 0.00 179.01 179.03 2b3w h GLN 155 N 0.49 1.13 0.01 2.33 4.15 -1.12 -1.13 115.11 120.97 2b3w h GLN 155 Ca 0.13 -0.07 -0.20 0.00 0.77 0.00 0.00 58.65 59.29 2b3w h GLN 155 Cb -0.06 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.36 2b3w h GLN 155 CO -0.03 0.74 -0.91 -0.07 -1.93 0.00 0.00 178.83 176.64 2b3w h LEU 156 N 1.16 0.14 -0.39 -2.39 3.38 -0.63 -3.29 115.31 113.29 2b3w h LEU 156 Ca 0.33 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2b3w h LEU 156 Cb -0.09 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2b3w h LEU 156 CO -0.09 0.97 0.11 0.00 0.09 0.00 0.00 178.44 179.53 2b3w h ALA 157 N 1.02 0.51 -0.97 1.53 0.00 0.00 -2.35 119.26 119.00 2b3w h ALA 157 Ca -0.03 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.76 2b3w h ALA 157 Cb 1.57 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 2b3w h ALA 157 CO 0.13 0.17 0.62 0.82 0.00 0.00 0.00 179.25 180.99 2b3w h ILE 158 N 0.49 1.08 -0.00 0.00 2.04 -1.30 0.86 117.51 120.68 2b3w h ILE 158 Ca 0.12 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2b3w h ILE 158 Cb 0.28 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 2b3w h ILE 158 CO -0.00 0.21 -0.01 -0.62 0.00 0.00 0.00 178.15 177.73 2b3w n GLU 159 N -4.53 0.21 0.08 2.37 1.02 -1.12 -2.20 120.64 116.47 2b3w n GLU 159 Ca 0.15 -0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.27 2b3w n GLU 159 Cb 0.18 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.05 2b3w n GLU 159 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2b3w h LYS 160 N 0.01 0.00 0.00 3.49 3.64 -0.31 -2.99 116.57 120.41 2b3w h LYS 160 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2b3w h LYS 160 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2b3w h LYS 160 CO 0.00 0.60 0.00 -0.07 -2.27 0.00 0.00 179.45 177.71 2b3w h LEU 161 N 0.00 0.00 -0.60 5.20 4.07 -0.87 -2.79 115.31 120.32 2b3w h LEU 161 Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.90 2b3w h LEU 161 Cb 1.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.32 2b3w h LEU 161 CO 0.08 0.00 0.00 -0.62 -1.08 0.00 0.00 178.44 176.82 2b3w n GLU 162 N -2.56 1.34 0.00 1.13 -0.58 -1.13 -4.06 120.64 114.79 2b3w n GLU 162 Ca 0.01 -0.47 0.00 0.00 -0.42 0.00 0.00 57.16 56.28 2b3w n GLU 162 Cb 0.24 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 2b3w n GLU 162 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2b3w n HIS 163 N -0.10 0.00 -2.16 -0.32 1.44 -1.06 -4.80 115.22 108.23 2b3w n HIS 163 Ca 0.04 -0.09 -0.36 0.00 -2.01 0.00 0.00 57.72 55.30 2b3w n HIS 163 Cb 0.15 -0.11 -0.03 0.00 0.12 0.00 0.00 29.99 30.11 2b3w n HIS 163 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2b3w s HIS 164 N -0.73 1.85 -0.12 -1.40 5.04 -1.26 -4.91 115.29 113.76 2b3w s HIS 164 Ca 0.00 0.51 -0.04 0.00 -1.54 0.00 0.00 55.06 53.99 2b3w s HIS 164 Cb 0.00 -4.21 0.05 0.00 0.04 0.00 0.00 32.58 28.46 2b3w s HIS 164 CO 0.00 -2.12 0.09 -1.01 -2.34 0.00 0.00 174.74 169.36 2b3w s HIS 165 N 8.50 0.10 0.00 3.88 3.76 -1.26 -4.97 115.29 125.30 2b3w s HIS 165 Ca 0.61 -0.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.50 2b3w s HIS 165 Cb -0.10 -0.57 0.00 0.00 1.11 0.00 0.00 32.58 33.02 2b3w s HIS 165 CO 0.13 -0.39 0.00 1.58 -0.85 0.00 0.00 174.74 175.21 2b3w n HIS 166 N 5.29 0.00 -5.09 1.40 -0.00 -1.26 -5.07 115.22 110.49 2b3w n HIS 166 Ca -0.05 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.37 2b3w n HIS 166 Cb 0.49 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.32 2b3w n HIS 166 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2b3w s HIS 167 N 0.00 2.26 0.00 1.57 3.76 -1.26 -5.38 115.29 116.24 2b3w s HIS 167 Ca 0.00 -0.82 0.00 0.00 -0.15 0.00 0.00 55.06 54.09 2b3w s HIS 167 Cb 0.00 -1.51 0.00 0.00 1.11 0.00 0.00 32.58 32.18 2b3w s HIS 167 CO 0.00 -0.31 0.00 -2.39 -0.85 0.00 0.00 174.74 171.19