#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3w s PRO 2 N 0.00 3.28 -1.48 2.12 0.05 -1.26 -4.96 135.00 132.75 2b3w s PRO 2 Ca 0.00 -0.43 -0.10 0.00 0.05 0.00 0.00 61.00 60.52 2b3w s PRO 2 Cb 0.00 -4.03 0.02 0.00 0.05 0.00 0.00 34.50 30.53 2b3w s PRO 2 CO 0.00 -1.28 2.55 0.28 0.05 0.00 0.00 177.00 178.60 2b3w n VAL 3 N 5.97 4.37 -2.44 -0.36 0.31 -1.26 -4.84 118.33 120.08 2b3w n VAL 3 Ca -0.01 -3.30 -0.39 0.00 -0.01 0.00 0.00 64.34 60.63 2b3w n VAL 3 Cb 0.47 -2.46 -0.02 0.00 -0.91 0.00 0.00 33.84 30.92 2b3w n VAL 3 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2b3w s ARG 4 N 1.38 3.55 0.07 5.55 1.04 -1.26 -4.80 118.95 124.47 2b3w s ARG 4 Ca 0.58 -1.65 -0.32 0.00 -1.04 0.00 0.00 55.73 53.30 2b3w s ARG 4 Cb 0.16 -5.43 -0.18 0.00 -2.04 0.00 0.00 34.95 27.45 2b3w s ARG 4 CO -0.07 -2.70 1.61 0.00 -0.04 0.00 0.00 175.30 174.10 2b3w h ALA 5 N 8.44 -0.82 -1.26 7.88 0.00 -1.88 -3.35 119.26 128.27 2b3w h ALA 5 Ca 0.36 -0.18 -0.69 0.00 0.00 0.00 0.00 54.91 54.40 2b3w h ALA 5 Cb 0.91 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 18.89 2b3w h ALA 5 CO 1.39 -0.95 1.69 -0.65 0.00 0.00 0.00 179.25 180.74 2b3w s GLN 6 N -5.97 3.92 0.00 0.00 -0.21 -1.26 -4.40 119.66 111.74 2b3w s GLN 6 Ca -0.17 -2.01 0.00 0.00 0.02 0.00 0.00 55.36 53.20 2b3w s GLN 6 Cb 0.03 -5.30 0.00 0.00 1.00 0.00 0.00 33.01 28.74 2b3w s GLN 6 CO 0.62 -2.05 0.00 2.89 -2.12 0.00 0.00 175.29 174.62 2b3w n ARG 7 N 7.45 2.65 -3.57 2.91 1.85 -1.26 -5.00 116.66 121.70 2b3w n ARG 7 Ca 0.40 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.87 2b3w n ARG 7 Cb 0.46 -0.92 -0.11 0.00 -1.05 0.00 0.00 32.46 30.84 2b3w n ARG 7 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2b3w s ILE 8 N -1.80 5.30 0.02 8.89 1.01 -1.26 -4.99 121.20 128.37 2b3w s ILE 8 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 2b3w s ILE 8 Cb 0.00 -3.58 -0.16 0.00 0.01 0.00 0.00 42.46 38.73 2b3w s ILE 8 CO 0.00 0.19 1.21 1.56 0.00 0.00 0.00 174.94 177.90 2b3w h GLN 9 N 8.39 -0.94 -4.98 2.79 7.50 -1.97 -3.43 115.11 122.47 2b3w h GLN 9 Ca -0.34 0.06 -0.59 0.00 0.50 0.00 0.00 58.65 58.28 2b3w h GLN 9 Cb 1.18 0.21 -0.33 0.00 0.05 0.00 0.00 27.48 28.60 2b3w h GLN 9 CO 0.57 -0.61 -0.84 -1.01 -1.50 0.00 0.00 178.83 175.44 2b3w s HIS 10 N -4.93 1.94 -1.94 2.96 3.76 -1.26 -4.99 115.29 110.83 2b3w s HIS 10 Ca -0.15 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.02 2b3w s HIS 10 Cb 0.02 -1.34 0.00 0.00 1.11 0.00 0.00 32.58 32.36 2b3w s HIS 10 CO 0.47 -0.32 0.73 1.33 -0.85 0.00 0.00 174.74 176.10 2b3w n VAL 11 N 3.60 0.00 -4.55 -0.90 0.24 -1.26 -4.98 118.33 110.48 2b3w n VAL 11 Ca -0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 2b3w n VAL 11 Cb 0.52 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 2b3w n VAL 11 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2b3w n MET 12 N -0.46 0.00 -4.65 7.34 2.81 -1.26 -4.56 117.12 116.33 2b3w n MET 12 Ca 0.00 0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.66 2b3w n MET 12 Cb 0.01 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.37 2b3w n MET 12 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2b3w s GLN 13 N 0.00 1.24 -1.88 0.03 0.74 -1.26 -4.68 119.66 113.84 2b3w s GLN 13 Ca 0.00 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 54.74 2b3w s GLN 13 Cb 0.00 -1.23 0.00 0.00 1.10 0.00 0.00 33.01 32.88 2b3w s GLN 13 CO 0.00 0.33 0.00 -0.25 -0.55 0.00 0.00 175.29 174.82 2b3w n ASP 14 N 2.40 -5.82 -4.66 6.67 9.92 -1.26 -4.94 116.55 118.86 2b3w n ASP 14 Ca -0.16 0.11 -0.39 0.00 -0.53 0.00 0.00 54.79 53.82 2b3w n ASP 14 Cb 0.54 -4.91 -0.07 0.00 -0.64 0.00 0.00 41.12 36.05 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 -2.98 5.13 -0.33 -3.53 2.01 -1.26 -5.01 115.64 109.68 2b3w s THR 15 Ca 0.00 0.86 -0.12 0.00 0.31 0.00 0.00 61.69 62.73 2b3w s THR 15 Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 2b3w s THR 15 CO 0.00 0.19 0.23 -0.63 -0.69 0.00 0.00 174.62 173.72 2b3w s ILE 16 N 1.60 5.29 -0.73 1.82 1.09 -1.26 -1.57 121.20 127.43 2b3w s ILE 16 Ca 0.22 -0.13 -0.21 0.00 -1.10 0.00 0.00 60.65 59.43 2b3w s ILE 16 Cb -0.15 -3.67 0.10 0.00 -1.06 0.00 0.00 42.46 37.67 2b3w s ILE 16 CO 0.09 0.05 0.97 -0.63 -0.10 0.00 0.00 174.94 175.32 2b3w s ILE 17 N 1.73 4.55 -0.19 2.92 1.01 -0.02 -4.92 121.20 126.28 2b3w s ILE 17 Ca 0.06 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 2b3w s ILE 17 Cb -0.17 -4.68 -0.05 0.00 0.01 0.00 0.00 42.46 37.57 2b3w s ILE 17 CO 0.11 -1.41 0.11 0.54 0.00 0.00 0.00 174.94 174.29 2b3w s ASN 18 N 3.64 6.05 0.38 3.58 2.20 -1.26 -1.57 114.94 127.96 2b3w s ASN 18 Ca 0.23 0.19 0.04 0.00 -0.94 0.00 0.00 52.86 52.39 2b3w s ASN 18 Cb -0.14 -2.05 -0.03 0.00 -2.00 0.00 0.00 41.25 37.03 2b3w s ASN 18 CO 0.03 0.18 0.15 0.72 -2.94 0.00 0.00 177.10 175.24 2b3w s PHE 19 N 0.35 1.76 -0.25 1.54 -0.71 -0.55 -4.98 117.98 115.14 2b3w s PHE 19 Ca 0.07 -1.34 -0.04 0.00 -1.04 0.00 0.00 56.93 54.58 2b3w s PHE 19 Cb -0.11 -1.06 0.08 0.00 -1.21 0.00 0.00 43.02 40.72 2b3w s PHE 19 CO -0.01 -0.40 0.10 -0.47 -1.34 0.00 0.00 175.22 173.11 2b3w s TYR 20 N -3.30 0.51 0.00 3.49 6.14 -1.26 -0.25 117.35 122.68 2b3w s TYR 20 Ca 0.28 -0.81 0.00 0.00 0.64 0.00 0.00 57.07 57.18 2b3w s TYR 20 Cb 0.03 -0.94 0.00 0.00 0.42 0.00 0.00 41.96 41.47 2b3w s TYR 20 CO 0.17 -0.72 0.00 0.43 0.64 0.00 0.00 175.55 176.07 2b3w n SER 21 N 5.19 -1.40 0.15 4.32 7.64 -1.26 -3.17 113.62 125.09 2b3w n SER 21 Ca -0.06 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.95 2b3w n SER 21 Cb 0.45 0.00 0.46 0.00 -1.01 0.00 0.00 64.21 64.11 2b3w n SER 21 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2b3w h THR 22 N 0.00 0.00 0.00 0.44 1.35 -1.91 -3.42 112.91 109.37 2b3w h THR 22 Ca 0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2b3w h THR 22 Cb 0.00 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 2b3w h THR 22 CO 0.00 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.07 2b3w n SER 23 N -2.46 0.00 -3.38 5.36 7.64 -1.19 -2.70 113.62 116.89 2b3w n SER 23 Ca 0.03 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.93 2b3w n SER 23 Cb 0.33 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 2b3w n SER 23 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2b3w s ASP 24 N -4.00 -1.11 0.00 6.43 2.15 -1.26 -4.97 116.67 113.92 2b3w s ASP 24 Ca 0.00 1.10 0.00 0.00 0.43 0.00 0.00 52.55 54.08 2b3w s ASP 24 Cb 0.00 2.09 0.00 0.00 -0.30 0.00 0.00 42.92 44.71 2b3w s ASP 24 CO 0.00 -0.21 0.00 -0.67 -0.17 0.00 0.00 175.17 174.12 2b3w n ASP 25 N 5.38 0.00 0.00 -0.34 2.03 -1.25 -3.81 116.55 118.56 2b3w n ASP 25 Ca -0.07 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.38 2b3w n ASP 25 Cb 0.51 0.00 0.83 0.00 -0.72 0.00 0.00 41.12 41.74 2b3w n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b3w n TYR 26 N 0.00 0.00 1.42 -0.67 9.36 -1.26 -2.76 117.16 123.24 2b3w n TYR 26 Ca 0.00 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.33 2b3w n TYR 26 Cb 0.00 -0.07 0.68 0.00 -0.63 0.00 0.00 39.34 39.31 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 0.90 -0.73 0.54 2.98 0.00 -1.10 -4.13 105.19 103.65 2b3w n GLY 27 Ca 0.20 -0.14 0.35 0.00 0.00 0.00 0.00 46.02 46.42 2b3w n GLY 27 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2b3w h ASP 28 N 0.00 0.00 -0.96 1.61 2.03 -1.72 0.17 116.42 117.56 2b3w h ASP 28 Ca 0.00 0.00 0.15 0.00 -0.73 0.00 0.00 57.03 56.45 2b3w h ASP 28 Cb 0.01 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.43 2b3w h ASP 28 CO 0.00 0.00 0.61 -0.26 -1.03 0.00 0.00 179.24 178.56 2b3w h PHE 29 N 0.00 0.98 -4.00 4.15 0.04 -1.90 -3.43 116.94 112.78 2b3w h PHE 29 Ca 0.55 0.03 -0.54 0.00 2.80 0.00 0.00 57.97 60.81 2b3w h PHE 29 Cb 2.43 -0.31 0.12 0.00 2.20 0.00 0.00 35.95 40.39 2b3w h PHE 29 CO 0.00 0.34 0.65 0.45 -0.60 0.00 0.00 178.31 179.15 2b3w s SER 30 N -5.66 5.79 0.38 2.17 0.15 0.61 -4.90 113.70 112.24 2b3w s SER 30 Ca -0.11 2.81 0.10 0.00 0.70 0.00 0.00 55.95 59.46 2b3w s SER 30 Cb 0.23 -2.64 0.76 0.00 -1.71 0.00 0.00 66.02 62.65 2b3w s SER 30 CO 0.80 -1.22 1.88 -0.55 1.20 0.00 0.00 173.24 175.35 2b3w h ASN 31 N 2.14 0.17 0.00 5.45 -1.07 -1.88 -2.44 115.58 117.94 2b3w h ASN 31 Ca -0.51 -0.04 0.00 0.00 0.07 0.00 0.00 56.30 55.82 2b3w h ASN 31 Cb 1.27 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 37.48 2b3w h ASN 31 CO 0.60 0.39 0.00 0.33 0.07 0.00 0.00 177.43 178.82 2b3w n PHE 32 N -4.22 0.00 -2.46 4.14 7.35 -1.26 -4.09 117.46 116.92 2b3w n PHE 32 Ca -0.01 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.29 2b3w n PHE 32 Cb 0.31 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.10 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 -2.00 3.27 -1.58 3.13 0.00 -0.92 -4.91 121.76 118.75 2b3w s ALA 33 Ca 0.00 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 2b3w s ALA 33 Cb 0.00 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 2b3w s ALA 33 CO 0.00 -0.25 2.78 0.00 0.00 0.00 0.00 175.76 178.29 2b3w n ALA 34 N 0.60 7.10 -3.37 0.00 0.00 -1.26 -4.72 120.51 118.86 2b3w n ALA 34 Ca 0.02 -3.64 -0.41 0.00 0.00 0.00 0.00 53.44 49.41 2b3w n ALA 34 Cb 0.46 -3.38 -0.09 0.00 0.00 0.00 0.00 19.45 16.44 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 2.22 3.36 0.20 0.00 0.52 -1.23 -5.02 118.94 118.99 2b3w s TRP 35 Ca 0.64 -1.61 -0.33 0.00 0.02 0.00 0.00 56.10 54.82 2b3w s TRP 35 Cb 0.17 -3.26 -0.13 0.00 -1.15 0.00 0.00 33.47 29.10 2b3w s TRP 35 CO -0.07 -0.92 1.60 -2.30 0.02 0.00 0.00 176.95 175.28 2b3w n PRO 36 N 4.96 2.36 -4.69 4.98 -0.02 -1.20 -4.50 135.00 136.89 2b3w n PRO 36 Ca -0.10 0.85 -0.31 0.00 -2.02 0.00 0.00 63.50 61.93 2b3w n PRO 36 Cb 0.42 -2.63 -0.17 0.00 -0.02 0.00 0.00 33.50 31.10 2b3w n PRO 36 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2b3w s ILE 37 N 0.79 1.81 -0.59 4.25 -4.36 0.73 -4.98 121.20 118.85 2b3w s ILE 37 Ca 0.75 -0.84 -0.23 0.00 -0.26 0.00 0.00 60.65 60.07 2b3w s ILE 37 Cb -0.61 -1.61 0.06 0.00 1.25 0.00 0.00 42.46 41.54 2b3w s ILE 37 CO 0.39 0.50 0.91 -0.75 0.24 0.00 0.00 174.94 176.23 2b3w s LYS 38 N 0.78 3.21 -0.10 0.37 2.47 -1.26 -1.02 119.74 124.19 2b3w s LYS 38 Ca -0.09 -0.60 0.01 0.00 -1.56 0.00 0.00 55.97 53.73 2b3w s LYS 38 Cb -0.16 -4.13 0.02 0.00 -1.46 0.00 0.00 37.83 32.09 2b3w s LYS 38 CO 0.00 -1.59 -0.12 0.08 0.16 0.00 0.00 175.35 173.88 2b3w s VAL 39 N 3.82 1.26 -1.82 4.02 1.01 -0.02 -4.74 120.40 123.93 2b3w s VAL 39 Ca 0.25 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.73 2b3w s VAL 39 Cb -0.15 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2b3w s VAL 39 CO 0.14 0.40 0.00 0.47 0.00 0.00 0.00 175.10 176.11 2b3w n ASP 40 N 4.29 -5.27 0.00 3.32 9.92 -1.26 -0.76 116.55 126.78 2b3w n ASP 40 Ca -0.19 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 2b3w n ASP 40 Cb 0.51 -4.38 0.00 0.00 -0.64 0.00 0.00 41.12 36.61 2b3w n ASP 40 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2b3w n GLY 41 N -0.82 0.56 3.49 0.44 0.00 -1.26 -5.05 105.19 102.55 2b3w n GLY 41 Ca -0.20 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 2b3w n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b3w s LYS 42 N -0.65 1.77 -0.41 1.61 -0.14 0.06 -5.11 119.74 116.87 2b3w s LYS 42 Ca 0.00 -1.42 -0.11 0.00 -1.36 0.00 0.00 55.97 53.08 2b3w s LYS 42 Cb 0.00 -1.98 0.06 0.00 -1.68 0.00 0.00 37.83 34.23 2b3w s LYS 42 CO 0.00 0.41 0.26 0.99 -0.76 0.00 0.00 175.35 176.26 2b3w s THR 43 N -1.73 4.46 -0.24 2.17 2.01 -1.26 -0.84 115.64 120.21 2b3w s THR 43 Ca 0.23 -1.21 -0.08 0.00 0.31 0.00 0.00 61.69 60.94 2b3w s THR 43 Cb -0.08 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2b3w s THR 43 CO 0.12 -0.45 0.08 0.26 -0.69 0.00 0.00 174.62 173.95 2b3w s TRP 44 N 1.49 3.12 0.40 4.92 0.52 -0.19 -4.97 118.94 124.23 2b3w s TRP 44 Ca 0.03 -0.29 0.08 0.00 0.02 0.00 0.00 56.10 55.93 2b3w s TRP 44 Cb -0.22 -2.23 0.85 0.00 -1.15 0.00 0.00 33.47 30.72 2b3w s TRP 44 CO 0.04 -0.26 2.03 -1.35 0.02 0.00 0.00 176.95 177.43 2b3w h PRO 45 N 8.03 0.57 -3.97 4.98 0.11 -1.89 0.21 132.00 140.04 2b3w h PRO 45 Ca -0.37 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.58 2b3w h PRO 45 Cb 1.18 -0.13 -0.13 0.00 0.11 0.00 0.00 31.00 32.03 2b3w h PRO 45 CO 0.59 0.38 -0.37 0.95 -0.21 0.00 0.00 178.00 179.34 2b3w s THR 46 N -5.53 0.07 0.42 -1.15 -4.23 -1.26 -3.27 115.64 100.69 2b3w s THR 46 Ca -0.09 -1.47 0.16 0.00 -1.18 0.00 0.00 61.69 59.12 2b3w s THR 46 Cb 0.18 -1.88 0.18 0.00 1.34 0.00 0.00 72.50 72.32 2b3w s THR 46 CO 0.74 -0.31 1.96 0.77 -0.54 0.00 0.00 174.62 177.24 2b3w h SER 47 N 2.59 0.00 0.27 3.99 4.64 -1.85 -2.37 113.55 120.82 2b3w h SER 47 Ca -0.32 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.96 2b3w h SER 47 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 2b3w h SER 47 CO 0.50 0.22 -0.20 -0.33 -0.87 0.00 0.00 176.83 176.14 2b3w h GLU 48 N 0.00 0.00 -0.21 4.77 3.07 -1.97 0.27 114.58 120.51 2b3w h GLU 48 Ca -0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2b3w h GLU 48 Cb 0.41 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 2b3w h GLU 48 CO 0.03 0.20 0.05 0.45 -1.40 0.00 0.00 179.01 178.34 2b3w h HIS 49 N 0.00 0.35 -0.18 4.33 3.86 -1.78 0.15 115.15 121.88 2b3w h HIS 49 Ca -0.00 -0.04 -0.15 0.00 -1.16 0.00 0.00 60.37 59.01 2b3w h HIS 49 Cb 0.40 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 2b3w h HIS 49 CO 0.00 0.45 -0.52 -0.92 0.86 0.00 0.00 177.93 177.80 2b3w h TYR 50 N 0.15 0.64 -0.84 2.45 3.20 -1.56 -0.61 116.97 120.40 2b3w h TYR 50 Ca 0.07 -0.22 0.04 0.00 3.14 0.00 0.00 58.73 61.75 2b3w h TYR 50 Cb 0.28 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 2b3w h TYR 50 CO 0.01 0.93 0.54 0.35 -1.64 0.00 0.00 178.16 178.35 2b3w h PHE 51 N 0.40 1.01 -0.03 -3.82 3.57 -0.69 0.02 116.94 117.40 2b3w h PHE 51 Ca 0.01 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 2b3w h PHE 51 Cb 1.05 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.46 2b3w h PHE 51 CO 0.04 0.57 -0.30 1.96 -2.23 0.00 0.00 178.31 178.36 2b3w h GLN 52 N 1.04 0.26 -0.90 1.11 1.08 -0.54 -2.28 115.11 114.88 2b3w h GLN 52 Ca 0.34 -0.23 0.05 0.00 -1.45 0.00 0.00 58.65 57.36 2b3w h GLN 52 Cb 0.03 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.46 2b3w h GLN 52 CO -0.12 0.91 0.59 0.00 -0.95 0.00 0.00 178.83 179.25 2b3w h ALA 53 N 0.35 1.49 0.00 3.87 0.00 -0.83 -1.31 119.26 122.82 2b3w h ALA 53 Ca -0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2b3w h ALA 53 Cb 0.99 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2b3w h ALA 53 CO 0.06 0.40 -0.81 1.96 0.00 0.00 0.00 179.25 180.86 2b3w h GLN 54 N 1.06 0.00 -0.75 0.00 7.50 -1.09 -3.23 115.11 118.61 2b3w h GLN 54 Ca 0.38 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.53 2b3w h GLN 54 Cb 0.13 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.62 2b3w h GLN 54 CO -0.13 0.36 0.50 -0.22 -1.50 0.00 0.00 178.83 177.83 2b3w h LYS 55 N 0.00 0.98 -6.61 1.46 3.64 -0.66 -3.42 116.57 111.97 2b3w h LYS 55 Ca -0.05 -0.06 -0.52 0.00 -1.27 0.00 0.00 60.65 58.75 2b3w h LYS 55 Cb 1.39 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2b3w h LYS 55 CO 0.05 0.65 0.43 -0.06 -2.27 0.00 0.00 179.45 178.25 2b3w s PHE 56 N -6.14 3.68 -1.53 1.91 0.40 -0.69 -2.53 117.98 113.08 2b3w s PHE 56 Ca -0.13 1.67 0.18 0.00 -0.60 0.00 0.00 56.93 58.05 2b3w s PHE 56 Cb 0.15 -3.19 0.62 0.00 0.51 0.00 0.00 43.02 41.12 2b3w s PHE 56 CO 0.78 -0.29 1.52 1.47 0.70 0.00 0.00 175.22 179.40 2b3w n LEU 57 N 2.61 4.00 -4.71 -0.37 -0.00 -1.25 -4.87 117.00 112.41 2b3w n LEU 57 Ca 0.03 -2.01 -0.36 0.00 -0.00 0.00 0.00 56.01 53.67 2b3w n LEU 57 Cb 0.47 -0.50 -0.08 0.00 -0.00 0.00 0.00 43.42 43.31 2b3w n LEU 57 CO 0.53 0.80 -0.11 -0.62 -0.00 0.00 0.00 177.39 177.98 2b3w s ASP 58 N -0.91 6.27 0.22 1.45 2.15 -1.26 -4.99 116.67 119.59 2b3w s ASP 58 Ca 0.45 0.30 -0.01 0.00 0.43 0.00 0.00 52.55 53.73 2b3w s ASP 58 Cb 0.27 -2.13 0.22 0.00 -0.30 0.00 0.00 42.92 40.98 2b3w s ASP 58 CO 0.26 0.11 1.58 -0.33 -0.17 0.00 0.00 175.17 176.62 2b3w h GLU 59 N 6.92 0.50 -0.36 4.34 4.39 -1.97 -1.62 114.58 126.79 2b3w h GLU 59 Ca -0.40 -0.27 -0.11 0.00 0.34 0.00 0.00 59.36 58.92 2b3w h GLU 59 Cb 1.16 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 2b3w h GLU 59 CO 0.73 0.85 -0.24 0.87 -1.16 0.00 0.00 179.01 180.07 2b3w h LYS 60 N 0.41 0.71 0.00 2.33 6.56 -1.99 -2.72 116.57 121.87 2b3w h LYS 60 Ca 0.03 -0.29 -0.15 0.00 -1.06 0.00 0.00 60.65 59.18 2b3w h LYS 60 Cb 0.95 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.55 2b3w h LYS 60 CO 0.08 0.88 -0.73 1.88 -2.06 0.00 0.00 179.45 179.51 2b3w h TYR 61 N 0.62 0.00 0.13 -1.35 0.05 -1.95 -1.59 116.97 112.87 2b3w h TYR 61 Ca 0.09 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 2b3w h TYR 61 Cb 0.73 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 2b3w h TYR 61 CO 0.03 0.73 -0.10 -0.09 -1.05 0.00 0.00 178.16 177.68 2b3w h ARG 62 N 0.00 -0.23 0.00 4.88 2.43 -1.01 0.62 114.38 121.07 2b3w h ARG 62 Ca -0.01 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2b3w h ARG 62 Cb 1.45 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 2b3w h ARG 62 CO 0.09 -0.15 0.00 0.93 -1.51 0.00 0.00 179.97 179.33 2b3w h GLU 63 N -0.24 0.00 -0.16 0.20 4.39 -1.53 -2.17 114.58 115.07 2b3w h GLU 63 Ca -0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2b3w h GLU 63 Cb 0.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2b3w h GLU 63 CO -0.01 0.00 -0.12 1.49 -1.16 0.00 0.00 179.01 179.22 2b3w h GLU 64 N 0.00 0.36 0.00 2.33 4.57 -0.78 -1.82 114.58 119.24 2b3w h GLU 64 Ca 0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2b3w h GLU 64 Cb 0.75 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2b3w h GLU 64 CO 0.00 0.71 0.00 0.82 -1.18 0.00 0.00 179.01 179.36 2b3w h ILE 65 N 0.01 0.00 0.00 2.32 2.04 -0.76 -0.59 117.51 120.54 2b3w h ILE 65 Ca 0.03 -0.62 -0.11 0.00 1.00 0.00 0.00 64.86 65.16 2b3w h ILE 65 Cb 0.62 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 2b3w h ILE 65 CO 0.03 0.00 -0.52 -0.09 0.00 0.00 0.00 178.15 177.57 2b3w h ARG 66 N 0.00 0.00 0.13 2.37 2.43 -1.24 -3.30 114.38 114.76 2b3w h ARG 66 Ca 0.00 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 2b3w h ARG 66 Cb 0.64 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.21 2b3w h ARG 66 CO 0.00 0.52 -1.05 -0.09 -1.51 0.00 0.00 179.97 177.84 2b3w h ARG 67 N 0.00 0.49 -6.33 0.20 9.65 -0.25 -3.45 114.38 114.69 2b3w h ARG 67 Ca -0.01 -0.70 -0.54 0.00 -1.10 0.00 0.00 59.98 57.64 2b3w h ARG 67 Cb 1.04 0.24 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 2b3w h ARG 67 CO 0.07 1.31 1.09 0.54 2.80 0.00 0.00 179.97 185.77 2b3w s VAL 68 N -2.82 3.35 0.02 0.20 0.11 -0.80 -4.90 120.40 115.56 2b3w s VAL 68 Ca -0.11 0.54 -0.18 0.00 -2.93 0.00 0.00 61.98 59.30 2b3w s VAL 68 Cb 0.04 -3.35 -0.27 0.00 -1.53 0.00 0.00 36.38 31.27 2b3w s VAL 68 CO 0.89 -0.04 1.07 0.28 -3.33 0.00 0.00 175.10 173.98 2b3w h SER 69 N 9.39 0.69 -2.98 3.54 0.02 -1.89 -3.45 113.55 118.87 2b3w h SER 69 Ca -0.42 -0.82 -0.54 0.00 -0.84 0.00 0.00 61.79 59.18 2b3w h SER 69 Cb 1.19 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.52 2b3w h SER 69 CO 0.94 1.43 0.76 -0.55 -1.14 0.00 0.00 176.83 178.28 2b3w s SER 70 N -7.10 6.87 0.37 3.07 0.15 -1.26 -4.86 113.70 110.94 2b3w s SER 70 Ca -0.12 2.17 0.11 0.00 0.70 0.00 0.00 55.95 58.82 2b3w s SER 70 Cb 0.04 -2.57 0.73 0.00 -1.71 0.00 0.00 66.02 62.51 2b3w s SER 70 CO 0.88 -0.66 1.85 -0.65 1.20 0.00 0.00 173.24 175.85 2b3w h PRO 71 N 7.35 0.07 -0.29 5.44 0.11 -1.99 -2.44 132.00 140.26 2b3w h PRO 71 Ca -0.40 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.53 2b3w h PRO 71 Cb 1.19 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2b3w h PRO 71 CO 0.88 0.38 -0.45 0.52 -0.21 0.00 0.00 178.00 179.12 2b3w h MET 72 N 0.07 0.74 -0.06 1.05 2.86 -1.98 0.17 114.93 117.77 2b3w h MET 72 Ca 0.01 -0.41 -0.14 0.00 -2.06 0.00 0.00 59.70 57.10 2b3w h MET 72 Cb 0.59 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 2b3w h MET 72 CO 0.04 1.03 -0.61 0.28 1.06 0.00 0.00 176.91 178.72 2b3w h VAL 73 N 0.59 1.40 -0.68 -2.22 2.07 -1.94 -0.28 116.25 115.19 2b3w h VAL 73 Ca 0.04 -2.00 -0.08 0.00 0.82 0.00 0.00 66.70 65.48 2b3w h VAL 73 Cb 1.00 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 2b3w h VAL 73 CO 0.10 0.59 0.11 0.00 0.02 0.00 0.00 177.57 178.39 2b3w h ALA 74 N 1.23 0.92 -0.33 1.67 0.00 -1.16 -1.94 119.26 119.64 2b3w h ALA 74 Ca -0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2b3w h ALA 74 Cb 1.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2b3w h ALA 74 CO 0.09 0.67 -0.06 0.00 0.00 0.00 0.00 179.25 179.95 2b3w h ALA 75 N 1.07 1.28 -0.29 0.00 0.00 -0.65 -2.31 119.26 118.36 2b3w h ALA 75 Ca 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2b3w h ALA 75 Cb 0.44 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2b3w h ALA 75 CO 0.01 0.48 0.11 0.00 0.00 0.00 0.00 179.25 179.85 2b3w h ARG 76 N 0.51 0.40 0.08 0.00 -0.00 -0.43 0.18 114.38 115.12 2b3w h ARG 76 Ca 0.10 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.98 59.53 2b3w h ARG 76 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.31 2b3w h ARG 76 CO 0.02 0.34 -0.04 0.52 0.00 0.00 0.00 179.97 180.81 2b3w h MET 77 N 0.40 -0.10 0.00 0.04 2.86 -0.79 -2.03 114.93 115.31 2b3w h MET 77 Ca 0.10 0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.64 2b3w h MET 77 Cb 0.10 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2b3w h MET 77 CO -0.01 0.01 -0.52 0.78 1.06 0.00 0.00 176.91 178.24 2b3w h GLY 78 N -0.19 0.00 0.37 8.32 0.00 -1.41 -3.04 103.07 107.12 2b3w h GLY 78 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2b3w h GLY 78 CO 0.02 0.00 -0.00 -2.13 0.00 0.00 0.00 176.54 174.42 2b3w n ARG 79 N -3.35 1.27 0.13 4.80 3.00 0.60 -3.74 116.66 119.37 2b3w n ARG 79 Ca 0.01 -0.42 0.00 0.00 -0.00 0.00 0.00 57.85 57.44 2b3w n ARG 79 Cb 0.68 -1.49 0.29 0.00 0.00 0.00 0.00 32.46 31.93 2b3w n ARG 79 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2b3w h ASP 80 N 1.03 0.15 0.00 6.15 3.58 -1.24 -3.46 116.42 122.62 2b3w h ASP 80 Ca 0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2b3w h ASP 80 Cb 0.23 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2b3w h ASP 80 CO 0.00 0.52 0.00 -1.14 -2.88 0.00 0.00 179.24 175.74 2b3w n ARG 81 N -4.07 0.00 -0.62 0.28 3.00 -1.24 -4.65 116.66 109.35 2b3w n ARG 81 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.79 2b3w n ARG 81 Cb 0.43 -0.04 0.01 0.00 0.00 0.00 0.00 32.46 32.86 2b3w n ARG 81 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2b3w n SER 82 N 2.05 5.65 -4.34 6.15 7.64 -1.26 -4.82 113.62 124.69 2b3w n SER 82 Ca 0.00 -2.59 -0.25 0.00 1.01 0.00 0.00 58.87 57.04 2b3w n SER 82 Cb 0.00 -1.12 -0.12 0.00 -1.01 0.00 0.00 64.21 61.96 2b3w n SER 82 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2b3w s LYS 83 N -0.48 1.27 -0.50 1.43 -0.14 -1.26 -5.09 119.74 114.98 2b3w s LYS 83 Ca 0.09 -1.31 -0.28 0.00 -1.36 0.00 0.00 55.97 53.12 2b3w s LYS 83 Cb 0.07 -1.55 -0.01 0.00 -1.68 0.00 0.00 37.83 34.66 2b3w s LYS 83 CO -0.00 0.35 1.69 -1.25 -0.76 0.00 0.00 175.35 175.38 2b3w s PRO 84 N -2.23 3.10 0.22 -1.68 0.04 -1.26 -4.99 135.00 128.19 2b3w s PRO 84 Ca 0.12 0.85 -0.18 0.00 0.04 0.00 0.00 61.00 61.83 2b3w s PRO 84 Cb -0.09 -4.23 -0.08 0.00 0.04 0.00 0.00 34.50 30.14 2b3w s PRO 84 CO 0.06 -2.16 0.68 -0.51 0.04 0.00 0.00 177.00 175.11 2b3w s LEU 85 N 7.33 4.31 0.81 -3.56 1.43 -1.26 -3.90 118.68 123.84 2b3w s LEU 85 Ca 0.67 1.32 -0.11 0.00 -1.03 0.00 0.00 54.13 54.97 2b3w s LEU 85 Cb -0.15 -3.57 0.08 0.00 0.03 0.00 0.00 46.19 42.57 2b3w s LEU 85 CO 0.27 0.02 1.09 0.00 0.23 0.00 0.00 176.35 177.96 2b3w s ARG 86 N -2.10 2.01 0.15 1.70 1.70 -1.05 -4.87 118.95 116.49 2b3w s ARG 86 Ca 0.43 0.69 -0.11 0.00 -0.47 0.00 0.00 55.73 56.27 2b3w s ARG 86 Cb -0.15 -1.91 0.01 0.00 -0.57 0.00 0.00 34.95 32.33 2b3w s ARG 86 CO 0.20 -1.69 1.56 -0.22 -1.08 0.00 0.00 175.30 174.07 2b3w h LYS 87 N -1.14 0.95 -0.68 3.89 1.63 -1.97 -3.13 116.57 116.13 2b3w h LYS 87 Ca -0.47 -0.38 -0.17 0.00 -0.85 0.00 0.00 60.65 58.78 2b3w h LYS 87 Cb 1.27 -0.05 -0.10 0.00 -0.60 0.00 0.00 32.23 32.75 2b3w h LYS 87 CO 0.58 1.05 0.20 0.09 -3.45 0.00 0.00 179.45 177.92 2b3w n ASN 88 N -4.18 4.88 -0.10 4.20 4.13 -1.26 -4.62 115.26 118.31 2b3w n ASN 88 Ca 0.00 -3.19 -0.08 0.00 1.68 0.00 0.00 54.58 53.00 2b3w n ASN 88 Cb 0.42 -0.72 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 2b3w n ASN 88 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 2b3w h TRP 89 N 2.80 0.34 -0.06 3.10 -0.00 -1.91 -1.95 115.95 118.26 2b3w h TRP 89 Ca 0.21 0.01 0.02 0.00 -0.00 0.00 0.00 58.89 59.13 2b3w h TRP 89 Cb 2.22 -0.10 -0.00 0.00 -0.00 0.00 0.00 29.16 31.27 2b3w h TRP 89 CO 1.21 0.19 0.05 0.93 -0.00 0.00 0.00 178.44 180.82 2b3w h GLU 90 N 0.37 0.00 0.00 2.65 5.08 -1.86 0.27 114.58 121.09 2b3w h GLU 90 Ca 0.14 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2b3w h GLU 90 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2b3w h GLU 90 CO -0.08 0.00 -1.21 -1.13 -1.00 0.00 0.00 179.01 175.59 2b3w n SER 91 N -4.40 0.84 -0.23 1.42 3.41 -0.89 -4.18 113.62 109.59 2b3w n SER 91 Ca -0.02 0.34 0.06 0.00 -0.26 0.00 0.00 58.87 59.00 2b3w n SER 91 Cb 0.15 0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 2b3w n SER 91 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2b3w n VAL 92 N -2.76 0.00 -0.11 -3.33 0.24 -0.71 -4.64 118.33 107.02 2b3w n VAL 92 Ca -0.05 -0.33 -0.07 0.00 -2.04 0.00 0.00 64.34 61.86 2b3w n VAL 92 Cb 0.68 1.12 -0.01 0.00 -1.47 0.00 0.00 33.84 34.16 2b3w n VAL 92 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2b3w h LYS 93 N 1.13 -0.22 0.00 7.34 3.64 -0.67 0.23 116.57 128.02 2b3w h LYS 93 Ca 0.00 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 2b3w h LYS 93 Cb 0.41 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2b3w h LYS 93 CO 0.00 -0.15 -0.55 1.05 -2.27 0.00 0.00 179.45 177.53 2b3w h GLU 94 N -0.23 0.00 -0.22 1.90 4.11 -1.85 -2.73 114.58 115.57 2b3w h GLU 94 Ca 0.17 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.46 2b3w h GLU 94 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2b3w h GLU 94 CO -0.50 0.55 -0.42 1.96 0.07 0.00 0.00 179.01 180.66 2b3w h GLN 95 N 0.00 0.68 -0.33 1.06 1.08 -1.43 0.16 115.11 116.32 2b3w h GLN 95 Ca -0.01 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 2b3w h GLN 95 Cb 0.97 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.44 2b3w h GLN 95 CO 0.07 1.05 0.21 0.28 -0.95 0.00 0.00 178.83 179.49 2b3w h VAL 96 N 0.38 1.10 -0.55 -0.54 2.07 -0.57 0.85 116.25 118.99 2b3w h VAL 96 Ca 0.01 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 2b3w h VAL 96 Cb 1.02 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2b3w h VAL 96 CO 0.09 0.10 0.11 -0.03 0.02 0.00 0.00 177.57 177.87 2b3w h MET 97 N 0.44 0.89 -0.22 1.57 1.85 -1.42 -1.49 114.93 116.54 2b3w h MET 97 Ca 0.12 -0.22 -0.07 0.00 -0.61 0.00 0.00 59.70 58.91 2b3w h MET 97 Cb -0.02 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 31.88 2b3w h MET 97 CO -0.02 0.85 -0.17 -0.09 -0.40 0.00 0.00 176.91 177.07 2b3w h ARG 98 N 0.78 0.39 -0.26 0.39 1.12 -0.36 0.20 114.38 116.63 2b3w h ARG 98 Ca 0.17 -0.12 -0.06 0.00 -1.11 0.00 0.00 59.98 58.87 2b3w h ARG 98 Cb 0.37 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.28 2b3w h ARG 98 CO 0.01 0.55 -0.06 -0.22 -3.11 0.00 0.00 179.97 177.14 2b3w h LYS 99 N 0.36 0.51 -0.73 0.20 3.64 -0.58 -0.67 116.57 119.29 2b3w h LYS 99 Ca 0.06 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 2b3w h LYS 99 Cb 0.52 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2b3w h LYS 99 CO 0.03 0.72 0.34 0.00 -2.27 0.00 0.00 179.45 178.28 2b3w h ALA 100 N 0.77 0.94 -0.16 5.00 0.00 -0.76 -1.79 119.26 123.26 2b3w h ALA 100 Ca 0.07 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2b3w h ALA 100 Cb 0.54 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2b3w h ALA 100 CO 0.03 0.51 -0.22 -0.07 0.00 0.00 0.00 179.25 179.50 2b3w h LEU 101 N 1.02 0.28 -0.40 0.00 3.38 -0.55 0.62 115.31 119.66 2b3w h LEU 101 Ca 0.25 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2b3w h LEU 101 Cb 0.13 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2b3w h LEU 101 CO -0.03 0.51 0.08 -0.09 0.09 0.00 0.00 178.44 179.00 2b3w h ARG 102 N 0.26 0.65 -0.12 1.13 1.12 -0.42 -0.18 114.38 116.83 2b3w h ARG 102 Ca 0.04 -0.17 -0.11 0.00 -1.11 0.00 0.00 59.98 58.64 2b3w h ARG 102 Cb 0.54 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.40 2b3w h ARG 102 CO 0.04 0.69 -0.41 0.00 -3.11 0.00 0.00 179.97 177.17 2b3w h ALA 103 N 0.94 1.08 -0.16 2.80 0.00 -1.05 0.11 119.26 122.98 2b3w h ALA 103 Ca 0.12 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2b3w h ALA 103 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2b3w h ALA 103 CO 0.00 0.60 0.05 -0.22 0.00 0.00 0.00 179.25 179.69 2b3w h LYS 104 N 0.22 0.24 0.13 0.00 3.64 -0.38 -2.40 116.57 118.01 2b3w h LYS 104 Ca 0.02 -0.05 -0.28 0.00 -1.27 0.00 0.00 60.65 59.07 2b3w h LYS 104 Cb 0.83 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2b3w h LYS 104 CO 0.07 0.35 -1.42 0.74 -2.27 0.00 0.00 179.45 176.91 2b3w h PHE 105 N 0.08 0.48 -0.26 1.91 0.04 -1.01 -3.29 116.94 114.90 2b3w h PHE 105 Ca 0.05 -0.35 -0.10 0.00 2.80 0.00 0.00 57.97 60.37 2b3w h PHE 105 Cb 0.20 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 2b3w h PHE 105 CO -0.01 1.55 -0.21 1.49 -0.60 0.00 0.00 178.31 180.53 2b3w h GLU 106 N -0.26 0.61 -0.00 1.51 4.81 -0.89 -2.60 114.58 117.76 2b3w h GLU 106 Ca -0.30 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 2b3w h GLU 106 Cb 1.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.18 2b3w h GLU 106 CO 0.08 0.89 -0.00 1.04 -0.73 0.00 0.00 179.01 180.29 2b3w n GLN 107 N -4.37 0.87 -3.92 1.92 6.02 -0.90 -4.10 117.38 112.90 2b3w n GLN 107 Ca -0.04 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.64 2b3w n GLN 107 Cb 0.42 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 30.03 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 -2.14 3.10 0.33 1.08 3.76 -1.10 -5.00 115.29 115.32 2b3w s HIS 108 Ca 0.43 -2.79 0.07 0.00 -0.15 0.00 0.00 55.06 52.63 2b3w s HIS 108 Cb 0.22 -2.60 0.75 0.00 1.11 0.00 0.00 32.58 32.06 2b3w s HIS 108 CO 0.39 -0.87 1.85 0.00 -0.85 0.00 0.00 174.74 175.26 2b3w h ALA 109 N 7.31 1.75 -0.49 -1.40 0.00 -1.73 0.84 119.26 125.54 2b3w h ALA 109 Ca -0.06 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2b3w h ALA 109 Cb 0.98 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2b3w h ALA 109 CO 0.55 -0.01 0.26 0.93 0.00 0.00 0.00 179.25 180.98 2b3w h GLU 110 N 0.77 0.50 -0.34 0.00 3.07 -1.93 0.75 114.58 117.39 2b3w h GLU 110 Ca 0.48 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 59.20 2b3w h GLU 110 Cb 0.70 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 2b3w h GLU 110 CO -0.24 0.33 -0.20 -0.07 -1.40 0.00 0.00 179.01 177.42 2b3w h LEU 111 N 0.51 0.78 -0.50 1.33 3.38 -1.12 -0.64 115.31 119.06 2b3w h LEU 111 Ca 0.21 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.77 2b3w h LEU 111 Cb 0.09 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2b3w h LEU 111 CO -0.13 1.03 0.32 -0.09 0.09 0.00 0.00 178.44 179.65 2b3w h ARG 112 N 0.53 0.62 -0.59 1.13 2.43 -0.88 0.33 114.38 117.95 2b3w h ARG 112 Ca 0.07 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 2b3w h ARG 112 Cb 0.76 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 2b3w h ARG 112 CO 0.06 0.41 0.21 0.00 -1.51 0.00 0.00 179.97 179.14 2b3w h ALA 113 N 1.20 0.77 -0.10 2.80 0.00 -0.73 -1.50 119.26 121.69 2b3w h ALA 113 Ca 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2b3w h ALA 113 Cb -0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2b3w h ALA 113 CO -0.06 0.40 0.05 1.25 0.00 0.00 0.00 179.25 180.90 2b3w h LEU 114 N 0.82 0.13 -0.70 0.00 5.85 -0.62 -1.20 115.31 119.59 2b3w h LEU 114 Ca 0.19 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.88 2b3w h LEU 114 Cb 0.24 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 2b3w h LEU 114 CO -0.01 0.18 0.40 0.25 -0.34 0.00 0.00 178.44 178.92 2b3w h LEU 115 N 0.07 0.61 -0.79 2.25 5.85 -0.19 -1.65 115.31 121.46 2b3w h LEU 115 Ca 0.04 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 2b3w h LEU 115 Cb 0.08 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2b3w h LEU 115 CO -0.01 0.40 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.07 2b3w h LEU 116 N 0.75 0.52 -0.29 2.25 3.38 -1.08 -2.86 115.31 117.97 2b3w h LEU 116 Ca 0.31 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2b3w h LEU 116 Cb 0.18 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2b3w h LEU 116 CO -0.18 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.19 2b3w h ALA 117 N 1.20 1.00 0.00 1.53 0.00 -0.39 -3.14 119.26 119.45 2b3w h ALA 117 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2b3w h ALA 117 Cb 0.81 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2b3w h ALA 117 CO 0.07 0.00 -0.34 1.79 0.00 0.00 0.00 179.25 180.77 2b3w h THR 118 N 0.00 0.22 -4.07 0.00 1.35 -1.09 -3.44 112.91 105.89 2b3w h THR 118 Ca 0.00 -1.32 -0.53 0.00 -0.55 0.00 0.00 66.41 64.00 2b3w h THR 118 Cb 0.61 2.02 0.12 0.00 -1.73 0.00 0.00 68.15 69.17 2b3w h THR 118 CO 0.00 0.12 0.52 0.00 -0.25 0.00 0.00 175.52 175.92 2b3w s ALA 119 N -3.16 2.69 -0.37 6.62 0.00 -1.19 -0.42 121.76 125.93 2b3w s ALA 119 Ca 0.05 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.15 2b3w s ALA 119 Cb 0.06 -3.49 0.44 0.00 0.00 0.00 0.00 23.12 20.14 2b3w s ALA 119 CO 0.71 -1.19 1.76 -0.35 0.00 0.00 0.00 175.76 176.70 2b3w n PRO 120 N -1.24 1.99 -2.38 0.00 -0.04 -1.26 -4.79 135.00 127.27 2b3w n PRO 120 Ca 0.12 -2.24 -0.40 0.00 -0.04 0.00 0.00 63.50 60.94 2b3w n PRO 120 Cb 0.48 -1.88 -0.04 0.00 -0.04 0.00 0.00 33.50 32.02 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 -2.49 3.37 -0.25 0.55 0.00 0.44 -4.82 121.76 118.56 2b3w s ALA 121 Ca 0.43 0.97 -0.24 0.00 0.00 0.00 0.00 51.96 53.12 2b3w s ALA 121 Cb 0.35 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 2b3w s ALA 121 CO 0.06 -0.31 0.79 0.21 0.00 0.00 0.00 175.76 176.51 2b3w s LYS 122 N -1.70 4.17 -0.17 0.00 2.20 -0.61 -4.85 119.74 118.78 2b3w s LYS 122 Ca 0.48 0.87 -0.29 0.00 -0.36 0.00 0.00 55.97 56.67 2b3w s LYS 122 Cb -0.33 -3.65 -0.00 0.00 -1.51 0.00 0.00 37.83 32.34 2b3w s LYS 122 CO 0.42 -0.50 1.02 -0.51 -0.36 0.00 0.00 175.35 175.42 2b3w s LEU 123 N 2.79 4.17 -0.15 5.43 1.43 -1.26 -0.84 118.68 130.25 2b3w s LEU 123 Ca 0.33 1.45 -0.01 0.00 -1.03 0.00 0.00 54.13 54.87 2b3w s LEU 123 Cb -0.15 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.57 2b3w s LEU 123 CO 0.08 -0.55 -0.01 -0.69 0.23 0.00 0.00 176.35 175.40 2b3w s VAL 124 N 2.58 0.73 -0.31 -1.59 1.01 -0.61 -4.42 120.40 117.79 2b3w s VAL 124 Ca 0.46 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.73 2b3w s VAL 124 Cb -0.17 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.21 2b3w s VAL 124 CO 0.12 0.05 1.18 -0.70 0.00 0.00 0.00 175.10 175.75 2b3w s GLU 125 N 1.79 4.00 -1.25 2.72 2.56 -1.26 -1.48 118.70 125.77 2b3w s GLU 125 Ca 0.01 1.16 -0.13 0.00 0.00 0.00 0.00 54.97 56.01 2b3w s GLU 125 Cb -0.15 -3.80 0.15 0.00 2.00 0.00 0.00 34.13 32.32 2b3w s GLU 125 CO -0.07 -1.00 1.62 1.58 -0.56 0.00 0.00 175.26 176.83 2b3w n HIS 126 N 7.21 4.39 -2.42 5.30 -0.00 0.65 -2.41 115.22 127.95 2b3w n HIS 126 Ca 0.13 -3.14 -0.39 0.00 -0.00 0.00 0.00 57.72 54.32 2b3w n HIS 126 Cb 0.47 -2.21 -0.03 0.00 -0.00 0.00 0.00 29.99 28.21 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 1.73 3.68 -0.49 3.57 2.01 -1.26 -4.75 115.64 120.13 2b3w s THR 127 Ca 0.44 0.03 0.23 0.00 0.31 0.00 0.00 61.69 62.69 2b3w s THR 127 Cb 0.02 -4.70 -0.11 0.00 0.01 0.00 0.00 72.50 67.71 2b3w s THR 127 CO 0.01 -1.63 0.98 1.21 -0.69 0.00 0.00 174.62 174.50 2b3w n GLU 128 N 9.18 0.38 -0.12 4.92 2.13 -1.26 -3.07 120.64 132.80 2b3w n GLU 128 Ca 0.16 -0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.87 2b3w n GLU 128 Cb 0.50 -1.63 -0.03 0.00 0.27 0.00 0.00 31.44 30.56 2b3w n GLU 128 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 2b3w h ASN 129 N 0.00 0.64 -4.72 4.31 -1.24 -1.94 -3.46 115.58 109.17 2b3w h ASN 129 Ca 0.00 -0.34 0.01 0.00 0.71 0.00 0.00 56.30 56.67 2b3w h ASN 129 Cb 0.80 -0.17 -0.18 0.00 0.73 0.00 0.00 38.32 39.49 2b3w h ASN 129 CO 0.00 0.83 0.33 -0.62 -1.29 0.00 0.00 177.43 176.68 2b3w s ASP 130 N -6.21 -0.53 -1.13 1.15 2.15 -1.25 -5.08 116.67 105.76 2b3w s ASP 130 Ca -0.13 0.42 -0.21 0.00 0.43 0.00 0.00 52.55 53.06 2b3w s ASP 130 Cb 0.09 0.47 0.05 0.00 -0.30 0.00 0.00 42.92 43.23 2b3w s ASP 130 CO 0.79 -0.60 1.61 0.00 -0.17 0.00 0.00 175.17 176.79 2b3w s ALA 131 N -1.84 2.88 -0.25 3.66 0.00 -1.26 -4.56 121.76 120.38 2b3w s ALA 131 Ca -0.05 -2.49 -0.02 0.00 0.00 0.00 0.00 51.96 49.41 2b3w s ALA 131 Cb -0.00 -4.58 0.13 0.00 0.00 0.00 0.00 23.12 18.66 2b3w s ALA 131 CO 0.02 -3.60 0.33 -0.47 0.00 0.00 0.00 175.76 172.04 2b3w s TYR 132 N 5.12 -0.67 -0.01 0.00 5.04 -1.26 -4.55 117.35 121.02 2b3w s TYR 132 Ca 0.51 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.55 2b3w s TYR 132 Cb 0.01 -0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.13 2b3w s TYR 132 CO -0.02 -0.78 0.00 0.91 -1.34 0.00 0.00 175.55 174.32 2b3w n TRP 133 N 5.34 0.00 -3.11 4.97 7.02 -1.09 -4.92 117.44 125.65 2b3w n TRP 133 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 2b3w n TRP 133 Cb 0.49 -1.43 0.00 0.00 -2.42 0.00 0.00 31.31 27.95 2b3w n TRP 133 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2b3w n GLY 134 N -0.15 6.10 0.19 6.99 0.00 -1.11 -4.21 105.19 112.99 2b3w n GLY 134 Ca -0.00 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.24 0.96 0.00 1.61 5.75 -1.01 0.32 116.55 123.94 2b3w n ASP 135 Ca 0.00 -0.77 0.00 0.00 -0.01 0.00 0.00 54.79 54.01 2b3w n ASP 135 Cb 0.00 0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 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 1.40 0.53 1.34 6.12 0.00 -1.19 -1.23 105.19 112.16 2b3w n GLY 136 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.19 0.96 0.00 -0.02 0.00 -1.18 -4.68 105.19 98.09 2b3w n GLY 137 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.24 0.00 0.00 1.61 1.44 -1.21 -5.02 115.22 109.80 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 0.45 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.56 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 -0.01 1.25 2.57 -1.39 0.00 -0.41 -5.06 105.19 102.15 2b3w n GLY 139 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2b3w n GLY 139 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2b3w s LYS 140 N 0.00 1.34 0.12 1.61 2.20 -0.36 -4.84 119.74 119.80 2b3w s LYS 140 Ca 0.00 -2.36 0.00 0.00 -0.36 0.00 0.00 55.97 53.25 2b3w s LYS 140 Cb 0.00 -2.05 0.00 0.00 -1.51 0.00 0.00 37.83 34.27 2b3w s LYS 140 CO 0.00 -1.32 0.00 0.41 -0.36 0.00 0.00 175.35 174.08 2b3w n GLY 141 N 2.79 -0.08 2.56 5.54 0.00 -0.81 -4.73 105.19 110.47 2b3w n GLY 141 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 2b3w n GLY 141 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2b3w n LYS 142 N -3.41 0.28 0.00 1.61 4.81 0.15 -4.70 118.16 116.89 2b3w n LYS 142 Ca 0.00 -0.74 0.02 0.00 -0.87 0.00 0.00 58.31 56.72 2b3w n LYS 142 Cb 0.00 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.19 2b3w n LYS 142 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2b3w n ASN 143 N -0.50 0.00 0.26 3.14 4.05 -0.35 -2.66 115.26 119.19 2b3w n ASN 143 Ca -0.23 -0.43 0.18 0.00 0.45 0.00 0.00 54.58 54.54 2b3w n ASN 143 Cb 0.66 0.00 0.86 0.00 1.23 0.00 0.00 39.78 42.52 2b3w n ASN 143 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 2b3w h ARG 144 N 0.00 0.00 0.85 1.20 2.43 -1.85 -0.08 114.38 116.94 2b3w h ARG 144 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2b3w h ARG 144 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2b3w h ARG 144 CO 0.00 0.00 -0.41 1.25 -1.51 0.00 0.00 179.97 179.30 2b3w h LEU 145 N 0.00 -0.97 -1.66 3.80 5.85 -1.73 0.27 115.31 120.87 2b3w h LEU 145 Ca 0.06 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2b3w h LEU 145 Cb 0.63 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 2b3w h LEU 145 CO -0.00 -0.65 -0.01 1.23 -0.34 0.00 0.00 178.44 178.67 2b3w h GLY 146 N -1.22 0.21 0.99 3.75 0.00 -1.43 -0.84 103.07 104.54 2b3w h GLY 146 Ca -0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2b3w h GLY 146 CO 0.19 0.10 0.30 -1.82 0.00 0.00 0.00 176.54 175.31 2b3w h TYR 147 N 0.20 0.76 -0.36 5.60 3.20 -0.85 -0.68 116.97 124.83 2b3w h TYR 147 Ca 0.05 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 2b3w h TYR 147 Cb 0.16 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 2b3w h TYR 147 CO 0.00 0.56 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.84 2b3w h LEU 148 N 0.74 0.67 -0.51 2.82 3.38 0.42 0.21 115.31 123.04 2b3w h LEU 148 Ca 0.19 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2b3w h LEU 148 Cb 0.06 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2b3w h LEU 148 CO -0.03 0.85 0.31 -0.07 0.09 0.00 0.00 178.44 179.60 2b3w h LEU 149 N 0.61 0.61 -0.36 1.67 3.38 -0.73 0.23 115.31 120.72 2b3w h LEU 149 Ca 0.10 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 2b3w h LEU 149 Cb 0.63 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2b3w h LEU 149 CO 0.04 0.48 -0.78 0.24 0.09 0.00 0.00 178.44 178.51 2b3w h MET 150 N 0.69 0.35 -0.08 1.13 2.86 -0.92 -0.49 114.93 118.48 2b3w h MET 150 Ca 0.19 -0.32 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2b3w h MET 150 Cb -0.02 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2b3w h MET 150 CO -0.04 0.98 0.01 1.49 1.06 0.00 0.00 176.91 180.41 2b3w h GLU 151 N 0.23 0.05 -0.31 1.72 4.22 -0.27 -2.26 114.58 117.96 2b3w h GLU 151 Ca -0.04 -0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.33 2b3w h GLU 151 Cb 1.37 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 2b3w h GLU 151 CO 0.13 0.03 -0.11 1.25 -2.18 0.00 0.00 179.01 178.13 2b3w h LEU 152 N 0.05 0.50 -1.00 1.64 5.85 -0.51 -2.79 115.31 119.04 2b3w h LEU 152 Ca 0.04 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2b3w h LEU 152 Cb 0.03 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 2b3w h LEU 152 CO -0.05 0.65 0.66 -0.09 -0.34 0.00 0.00 178.44 179.26 2b3w h ARG 153 N 0.48 1.26 -0.64 1.25 1.12 -0.61 -0.15 114.38 117.08 2b3w h ARG 153 Ca 0.09 -0.08 -0.07 0.00 -1.11 0.00 0.00 59.98 58.81 2b3w h ARG 153 Cb 0.48 -0.28 -0.03 0.00 -0.01 0.00 0.00 29.97 30.13 2b3w h ARG 153 CO 0.03 0.83 0.12 0.93 -3.11 0.00 0.00 179.97 178.78 2b3w h GLU 154 N 1.30 1.04 -0.46 0.20 4.39 -1.15 -1.94 114.58 117.95 2b3w h GLU 154 Ca 0.39 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 2b3w h GLU 154 Cb -0.05 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 2b3w h GLU 154 CO -0.11 0.94 0.12 1.96 -1.16 0.00 0.00 179.01 180.76 2b3w h GLN 155 N 0.98 0.73 -0.04 2.33 4.20 -1.03 -1.87 115.11 120.41 2b3w h GLN 155 Ca 0.20 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 2b3w h GLN 155 Cb 0.39 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2b3w h GLN 155 CO 0.01 0.72 -0.48 -0.07 -0.67 0.00 0.00 178.83 178.34 2b3w h LEU 156 N 0.61 0.11 -0.85 1.46 3.38 -0.97 -1.64 115.31 117.42 2b3w h LEU 156 Ca 0.14 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 2b3w h LEU 156 Cb 0.31 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2b3w h LEU 156 CO 0.00 0.58 -0.17 0.00 0.09 0.00 0.00 178.44 178.94 2b3w h ALA 157 N 1.42 1.02 -0.35 1.53 0.00 -1.10 -0.11 119.26 121.68 2b3w h ALA 157 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2b3w h ALA 157 Cb 0.88 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2b3w h ALA 157 CO 0.07 0.59 -0.16 0.82 0.00 0.00 0.00 179.25 180.56 2b3w h ILE 158 N 0.60 1.29 -0.46 0.00 2.04 -0.75 0.74 117.51 120.97 2b3w h ILE 158 Ca 0.10 -1.28 -0.10 0.00 1.00 0.00 0.00 64.86 64.58 2b3w h ILE 158 Cb 0.63 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 2b3w h ILE 158 CO 0.04 0.42 -0.12 -0.33 0.00 0.00 0.00 178.15 178.17 2b3w h GLU 159 N 0.52 0.83 -0.41 2.37 5.08 -1.17 -1.52 114.58 120.29 2b3w h GLU 159 Ca 0.08 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 2b3w h GLU 159 Cb 0.70 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2b3w h GLU 159 CO 0.05 0.91 0.01 -0.22 -1.00 0.00 0.00 179.01 178.76 2b3w h LYS 160 N 0.75 0.64 0.00 2.33 3.64 -0.90 -2.23 116.57 120.80 2b3w h LYS 160 Ca 0.12 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 2b3w h LYS 160 Cb 0.62 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2b3w h LYS 160 CO 0.04 0.66 -0.22 1.25 -2.27 0.00 0.00 179.45 178.91 2b3w h LEU 161 N 0.61 0.00 -0.12 5.20 5.85 -0.11 -2.01 115.31 124.74 2b3w h LEU 161 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2b3w h LEU 161 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2b3w h LEU 161 CO 0.01 0.22 0.00 -0.62 -0.34 0.00 0.00 178.44 177.71 2b3w n GLU 162 N -4.21 0.95 -1.63 1.25 -0.58 -0.64 -4.80 120.64 110.97 2b3w n GLU 162 Ca -0.02 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.30 2b3w n GLU 162 Cb 0.28 -1.05 -0.03 0.00 -0.57 0.00 0.00 31.44 30.06 2b3w n GLU 162 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2b3w s HIS 163 N -1.88 1.19 0.37 -0.32 -3.43 -0.76 -4.93 115.29 105.52 2b3w s HIS 163 Ca 0.00 0.75 0.04 0.00 -0.80 0.00 0.00 55.06 55.04 2b3w s HIS 163 Cb 0.00 -3.87 -0.04 0.00 -1.43 0.00 0.00 32.58 27.24 2b3w s HIS 163 CO 0.00 -3.70 0.12 -1.01 -2.00 0.00 0.00 174.74 168.15 2b3w s HIS 164 N 9.00 1.78 -1.07 0.38 3.76 -1.26 -5.06 115.29 122.82 2b3w s HIS 164 Ca 0.98 -1.23 -0.23 0.00 -0.15 0.00 0.00 55.06 54.44 2b3w s HIS 164 Cb -0.29 -1.12 -0.01 0.00 1.11 0.00 0.00 32.58 32.27 2b3w s HIS 164 CO 0.33 -0.28 1.78 -1.58 -0.85 0.00 0.00 174.74 174.14 2b3w s HIS 165 N -3.32 2.19 -0.19 1.40 5.65 -1.26 -4.93 115.29 114.84 2b3w s HIS 165 Ca 0.29 -0.17 -0.04 0.00 0.25 0.00 0.00 55.06 55.39 2b3w s HIS 165 Cb 0.04 -4.33 -0.02 0.00 -1.18 0.00 0.00 32.58 27.10 2b3w s HIS 165 CO 0.15 -1.68 -0.02 -1.58 -0.65 0.00 0.00 174.74 170.96 2b3w s HIS 166 N 7.98 3.01 -0.03 3.88 5.04 -1.26 -5.03 115.29 128.88 2b3w s HIS 166 Ca 0.61 -0.47 -0.25 0.00 -1.54 0.00 0.00 55.06 53.41 2b3w s HIS 166 Cb -0.02 -2.04 -0.19 0.00 0.04 0.00 0.00 32.58 30.38 2b3w s HIS 166 CO 0.02 -0.21 1.11 1.25 -2.34 0.00 0.00 174.74 174.56 2b3w h HIS 167 N 7.30 -0.11 0.00 3.88 2.76 -2.08 -3.55 115.15 123.34 2b3w h HIS 167 Ca -0.35 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 2b3w h HIS 167 Cb 1.18 0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.18 2b3w h HIS 167 CO 0.57 0.37 0.00 0.72 -1.30 0.00 0.00 177.93 178.29