#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 0.12 -2.75 0.03 -0.04 -1.26 -4.93 135.00 126.16 2b3w n PRO 2 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2b3w n PRO 2 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 2b3w n PRO 2 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2b3w s VAL 3 N -0.75 4.43 -0.36 0.52 1.01 -1.26 -4.74 120.40 119.26 2b3w s VAL 3 Ca 0.00 -1.64 0.07 0.00 0.00 0.00 0.00 61.98 60.41 2b3w s VAL 3 Cb 0.00 -4.98 0.58 0.00 0.00 0.00 0.00 36.38 31.98 2b3w s VAL 3 CO 0.00 -1.76 1.66 0.54 0.00 0.00 0.00 175.10 175.53 2b3w n ARG 4 N 7.41 2.04 -1.92 2.72 1.74 -1.26 -4.90 116.66 122.49 2b3w n ARG 4 Ca 0.34 -3.12 -0.36 0.00 -0.77 0.00 0.00 57.85 53.95 2b3w n ARG 4 Cb 0.48 -1.97 -0.04 0.00 -1.02 0.00 0.00 32.46 29.90 2b3w n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2b3w n ALA 5 N -1.12 2.84 -3.60 7.54 0.00 -1.26 -4.80 120.51 120.11 2b3w n ALA 5 Ca 0.44 -3.33 -0.09 0.00 0.00 0.00 0.00 53.44 50.46 2b3w n ALA 5 Cb 1.31 -3.55 -0.10 0.00 0.00 0.00 0.00 19.45 17.11 2b3w n ALA 5 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2b3w s GLN 6 N 5.39 0.31 0.00 0.00 0.74 -1.26 -4.92 119.66 119.92 2b3w s GLN 6 Ca 0.61 0.92 0.00 0.00 0.05 0.00 0.00 55.36 56.94 2b3w s GLN 6 Cb 0.05 0.16 0.00 0.00 1.10 0.00 0.00 33.01 34.32 2b3w s GLN 6 CO 0.10 -0.33 0.00 -2.13 -0.55 0.00 0.00 175.29 172.39 2b3w n ARG 7 N 5.38 0.00 -2.92 1.67 0.63 -1.26 -5.07 116.66 115.09 2b3w n ARG 7 Ca -0.07 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.43 2b3w n ARG 7 Cb 0.50 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.36 2b3w n ARG 7 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2b3w s ILE 8 N -0.84 4.56 0.04 5.15 1.01 -1.26 -4.93 121.20 124.92 2b3w s ILE 8 Ca 0.00 0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.73 2b3w s ILE 8 Cb 0.00 -4.41 -0.15 0.00 0.01 0.00 0.00 42.46 37.91 2b3w s ILE 8 CO 0.00 -0.87 1.31 1.56 0.00 0.00 0.00 174.94 176.95 2b3w h GLN 9 N 9.10 -0.97 -1.18 2.79 4.20 -1.97 -3.47 115.11 123.61 2b3w h GLN 9 Ca -0.25 0.07 0.16 0.00 0.06 0.00 0.00 58.65 58.69 2b3w h GLN 9 Cb 1.08 0.22 -0.28 0.00 0.30 0.00 0.00 27.48 28.80 2b3w h GLN 9 CO 1.01 -0.65 0.45 -1.58 -0.67 0.00 0.00 178.83 177.40 2b3w s HIS 10 N -5.03 -0.43 0.56 2.96 5.65 -1.26 -5.05 115.29 112.70 2b3w s HIS 10 Ca -0.15 0.82 -0.18 0.00 0.25 0.00 0.00 55.06 55.79 2b3w s HIS 10 Cb 0.01 0.26 -0.05 0.00 -1.18 0.00 0.00 32.58 31.62 2b3w s HIS 10 CO 0.44 -0.21 1.10 0.14 -0.65 0.00 0.00 174.74 175.56 2b3w s VAL 11 N 1.56 3.34 -0.02 0.89 -7.23 -1.26 -5.00 120.40 112.68 2b3w s VAL 11 Ca -0.07 0.77 -0.03 0.00 -1.81 0.00 0.00 61.98 60.85 2b3w s VAL 11 Cb -0.04 -3.29 -0.02 0.00 0.56 0.00 0.00 36.38 33.60 2b3w s VAL 11 CO -0.14 -0.24 0.28 0.00 -0.31 0.00 0.00 175.10 174.69 2b3w h MET 12 N 0.97 -0.10 0.00 4.82 -0.00 -1.95 -3.45 114.93 115.21 2b3w h MET 12 Ca -0.49 0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.22 2b3w h MET 12 Cb 1.25 0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.87 2b3w h MET 12 CO 0.57 -0.07 0.00 0.94 -0.00 0.00 0.00 176.91 178.35 2b3w n GLN 13 N -3.00 0.00 -0.07 -0.10 7.27 -1.26 -4.91 117.38 115.31 2b3w n GLN 13 Ca -0.01 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.07 2b3w n GLN 13 Cb 0.04 0.00 0.05 0.00 2.41 0.00 0.00 30.24 32.74 2b3w n GLN 13 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 2b3w n ASP 14 N 0.00 0.81 -4.76 1.69 5.75 -1.26 -4.70 116.55 114.08 2b3w n ASP 14 Ca 0.00 -2.03 -0.40 0.00 -0.01 0.00 0.00 54.79 52.35 2b3w n ASP 14 Cb 0.00 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 39.86 2b3w n ASP 14 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2b3w s THR 15 N -1.72 4.33 -0.14 2.12 2.01 -1.26 -5.01 115.64 115.97 2b3w s THR 15 Ca 0.07 1.86 0.01 0.00 0.31 0.00 0.00 61.69 63.93 2b3w s THR 15 Cb 0.04 -4.22 0.02 0.00 0.01 0.00 0.00 72.50 68.36 2b3w s THR 15 CO 0.04 0.47 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.68 2b3w s ILE 16 N -0.90 1.54 -0.62 1.82 1.01 -1.26 -2.19 121.20 120.60 2b3w s ILE 16 Ca 0.39 -0.62 -0.22 0.00 0.00 0.00 0.00 60.65 60.20 2b3w s ILE 16 Cb -0.24 -1.44 0.07 0.00 0.01 0.00 0.00 42.46 40.86 2b3w s ILE 16 CO 0.28 0.45 0.87 -0.63 0.00 0.00 0.00 174.94 175.91 2b3w s ILE 17 N 1.42 4.50 -0.60 2.92 1.09 0.25 -4.96 121.20 125.81 2b3w s ILE 17 Ca 0.03 -0.44 -0.21 0.00 -1.10 0.00 0.00 60.65 58.93 2b3w s ILE 17 Cb -0.13 -4.59 0.08 0.00 -1.06 0.00 0.00 42.46 36.76 2b3w s ILE 17 CO -0.09 -1.28 0.80 0.20 -0.10 0.00 0.00 174.94 174.47 2b3w s ASN 18 N 3.48 6.19 0.49 3.58 -0.87 -1.24 -1.07 114.94 125.49 2b3w s ASN 18 Ca 0.20 -1.14 0.07 0.00 -1.57 0.00 0.00 52.86 50.42 2b3w s ASN 18 Cb -0.18 -2.35 0.02 0.00 -0.02 0.00 0.00 41.25 38.72 2b3w s ASN 18 CO 0.10 -1.21 0.44 0.72 -2.57 0.00 0.00 177.10 174.58 2b3w s PHE 19 N 3.25 2.07 0.34 2.20 -0.71 -0.77 -4.76 117.98 119.60 2b3w s PHE 19 Ca 0.17 -0.68 0.06 0.00 -1.04 0.00 0.00 56.93 55.44 2b3w s PHE 19 Cb -0.20 -2.06 -0.02 0.00 -1.21 0.00 0.00 43.02 39.52 2b3w s PHE 19 CO 0.09 -0.41 0.22 0.66 -1.34 0.00 0.00 175.22 174.45 2b3w n TYR 20 N -1.73 -0.43 -0.36 3.49 4.01 -1.26 -0.31 117.16 120.57 2b3w n TYR 20 Ca 0.03 -2.62 -0.11 0.00 -0.16 0.00 0.00 57.90 55.04 2b3w n TYR 20 Cb 0.63 0.17 0.10 0.00 -0.31 0.00 0.00 39.34 39.93 2b3w n TYR 20 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2b3w n SER 21 N -1.67 -2.15 0.00 7.72 7.64 -1.26 -3.52 113.62 120.38 2b3w n SER 21 Ca 0.03 -0.51 0.04 0.00 1.01 0.00 0.00 58.87 59.44 2b3w n SER 21 Cb 0.58 -0.36 0.25 0.00 -1.01 0.00 0.00 64.21 63.68 2b3w n SER 21 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2b3w n THR 22 N -3.71 0.00 0.32 0.44 -2.24 -1.26 -1.45 114.28 106.38 2b3w n THR 22 Ca 0.05 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.90 2b3w n THR 22 Cb 0.21 -0.68 0.22 0.00 -2.10 0.00 0.00 70.33 67.98 2b3w n THR 22 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2b3w n SER 23 N -0.87 2.90 -4.38 3.42 2.88 -1.26 -4.77 113.62 111.53 2b3w n SER 23 Ca 0.06 -2.12 -0.19 0.00 -1.33 0.00 0.00 58.87 55.29 2b3w n SER 23 Cb 0.03 -0.38 -0.10 0.00 -0.75 0.00 0.00 64.21 63.00 2b3w n SER 23 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2b3w s ASP 24 N -0.90 2.16 0.35 -3.46 -1.08 -0.53 -5.01 116.67 108.20 2b3w s ASP 24 Ca 0.33 -1.26 0.04 0.00 -0.52 0.00 0.00 52.55 51.14 2b3w s ASP 24 Cb 0.19 -0.05 0.66 0.00 -1.46 0.00 0.00 42.92 42.26 2b3w s ASP 24 CO 0.20 -0.50 1.96 0.44 0.52 0.00 0.00 175.17 177.79 2b3w h ASP 25 N 2.34 0.60 0.14 -0.34 3.32 -1.90 -0.56 116.42 120.01 2b3w h ASP 25 Ca -0.39 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2b3w h ASP 25 Cb 1.23 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2b3w h ASP 25 CO 0.66 0.52 -0.01 -1.22 -1.72 0.00 0.00 179.24 177.47 2b3w n TYR 26 N -4.38 0.00 0.27 4.55 4.01 -1.26 -4.14 117.16 116.21 2b3w n TYR 26 Ca 0.04 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.96 2b3w n TYR 26 Cb 0.12 -0.07 0.93 0.00 -0.31 0.00 0.00 39.34 40.02 2b3w n TYR 26 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2b3w h GLY 27 N 4.99 0.00 2.00 2.72 0.00 -1.13 0.78 103.07 112.42 2b3w h GLY 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2b3w h GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 2b3w n ASP 28 N -3.43 0.60 -0.01 0.19 5.68 -1.26 -1.72 116.55 116.60 2b3w n ASP 28 Ca -0.01 0.65 -0.16 0.00 -0.50 0.00 0.00 54.79 54.78 2b3w n ASP 28 Cb 0.26 -0.78 -0.05 0.00 -1.14 0.00 0.00 41.12 39.41 2b3w n ASP 28 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 2b3w h PHE 29 N 0.00 0.97 -4.17 2.11 0.04 -1.17 -3.45 116.94 111.27 2b3w h PHE 29 Ca 0.00 -0.43 -0.53 0.00 2.80 0.00 0.00 57.97 59.82 2b3w h PHE 29 Cb 0.34 -0.15 0.20 0.00 2.20 0.00 0.00 35.95 38.53 2b3w h PHE 29 CO 0.00 1.25 0.18 0.43 -0.60 0.00 0.00 178.31 179.57 2b3w n SER 30 N -3.92 0.31 0.28 2.17 7.64 -0.70 -4.89 113.62 114.51 2b3w n SER 30 Ca -0.07 0.46 0.17 0.00 1.01 0.00 0.00 58.87 60.44 2b3w n SER 30 Cb 0.74 -1.46 0.70 0.00 -1.01 0.00 0.00 64.21 63.17 2b3w n SER 30 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2b3w h ASN 31 N -1.60 0.00 -0.35 6.43 2.35 -1.91 -2.48 115.58 118.03 2b3w h ASN 31 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2b3w h ASN 31 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 2b3w h ASN 31 CO 0.42 0.00 0.00 0.33 -1.65 0.00 0.00 177.43 176.53 2b3w n PHE 32 N -3.06 0.45 -2.33 1.19 7.35 -1.26 -3.87 117.46 115.93 2b3w n PHE 32 Ca 0.01 -0.23 -0.42 0.00 -0.76 0.00 0.00 57.45 56.05 2b3w n PHE 32 Cb 0.30 0.00 -0.03 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 -1.55 3.47 -1.62 3.13 0.00 -0.94 -4.90 121.76 119.36 2b3w s ALA 33 Ca 0.32 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 53.09 2b3w s ALA 33 Cb 0.18 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 2b3w s ALA 33 CO 0.24 -0.57 2.93 0.00 0.00 0.00 0.00 175.76 178.37 2b3w n ALA 34 N 4.22 7.50 -3.38 0.00 0.00 -1.26 -4.55 120.51 123.03 2b3w n ALA 34 Ca 0.10 -3.55 -0.36 0.00 0.00 0.00 0.00 53.44 49.63 2b3w n ALA 34 Cb 0.45 -3.38 -0.13 0.00 0.00 0.00 0.00 19.45 16.39 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 2.16 3.19 0.11 0.00 0.52 -1.25 -4.96 118.94 118.71 2b3w s TRP 35 Ca 0.69 -1.39 -0.33 0.00 0.02 0.00 0.00 56.10 55.09 2b3w s TRP 35 Cb 0.18 -2.20 -0.12 0.00 -1.15 0.00 0.00 33.47 30.18 2b3w s TRP 35 CO -0.06 -0.70 1.72 -2.30 0.02 0.00 0.00 176.95 175.64 2b3w n PRO 36 N 4.77 2.42 -4.06 4.98 -0.02 -1.26 -4.45 135.00 137.39 2b3w n PRO 36 Ca -0.14 0.88 -0.33 0.00 -2.02 0.00 0.00 63.50 61.89 2b3w n PRO 36 Cb 0.46 -2.71 -0.07 0.00 -0.02 0.00 0.00 33.50 31.17 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 2.02 4.90 -0.64 4.25 -4.36 0.53 -4.84 121.20 123.06 2b3w s ILE 37 Ca 0.82 -0.33 -0.07 0.00 -0.26 0.00 0.00 60.65 60.81 2b3w s ILE 37 Cb -0.60 -3.24 0.17 0.00 1.25 0.00 0.00 42.46 40.03 2b3w s ILE 37 CO 0.39 0.36 0.49 -0.75 0.24 0.00 0.00 174.94 175.68 2b3w s LYS 38 N -1.73 2.78 -0.11 0.37 2.47 -1.26 -0.81 119.74 121.46 2b3w s LYS 38 Ca 0.23 -2.34 0.03 0.00 -1.56 0.00 0.00 55.97 52.33 2b3w s LYS 38 Cb -0.12 -3.93 0.01 0.00 -1.46 0.00 0.00 37.83 32.32 2b3w s LYS 38 CO 0.14 -1.20 -0.22 0.08 0.16 0.00 0.00 175.35 174.31 2b3w s VAL 39 N 0.31 1.92 -1.02 4.02 1.01 -0.21 -4.58 120.40 121.85 2b3w s VAL 39 Ca 0.15 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2b3w s VAL 39 Cb -0.19 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.51 2b3w s VAL 39 CO -0.04 0.53 0.00 -0.67 0.00 0.00 0.00 175.10 174.91 2b3w n ASP 40 N 3.76 -4.77 0.00 3.32 2.03 -1.26 -0.69 116.55 118.94 2b3w n ASP 40 Ca -0.20 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2b3w n ASP 40 Cb 0.52 -3.11 0.00 0.00 -0.72 0.00 0.00 41.12 37.81 2b3w n ASP 40 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2b3w n GLY 41 N -0.99 0.54 3.59 0.27 0.00 -1.26 -5.04 105.19 102.29 2b3w n GLY 41 Ca -0.10 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.26 2.58 -0.38 1.61 1.02 0.13 -5.09 119.74 119.36 2b3w s LYS 42 Ca 0.00 -0.69 -0.18 0.00 0.02 0.00 0.00 55.97 55.12 2b3w s LYS 42 Cb 0.00 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 2b3w s LYS 42 CO 0.00 0.61 0.50 0.99 -0.92 0.00 0.00 175.35 176.53 2b3w s THR 43 N -0.95 5.02 -0.21 2.17 2.01 -1.26 -1.04 115.64 121.38 2b3w s THR 43 Ca 0.16 0.13 -0.08 0.00 0.31 0.00 0.00 61.69 62.21 2b3w s THR 43 Cb -0.11 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2b3w s THR 43 CO 0.06 -0.30 0.07 0.26 -0.69 0.00 0.00 174.62 174.03 2b3w s TRP 44 N 2.35 3.19 -0.45 4.92 0.52 0.01 -4.93 118.94 124.55 2b3w s TRP 44 Ca 0.17 -0.09 0.18 0.00 0.02 0.00 0.00 56.10 56.38 2b3w s TRP 44 Cb -0.16 -2.15 0.89 0.00 -1.15 0.00 0.00 33.47 30.90 2b3w s TRP 44 CO 0.14 -0.04 1.55 -2.30 0.02 0.00 0.00 176.95 176.32 2b3w n PRO 45 N 4.10 0.12 -3.54 4.98 -0.02 -1.26 -0.34 135.00 139.03 2b3w n PRO 45 Ca -0.16 0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 61.73 2b3w n PRO 45 Cb 0.52 -1.83 -0.05 0.00 -0.02 0.00 0.00 33.50 32.12 2b3w n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2b3w s THR 46 N -3.37 0.00 0.41 3.45 2.01 -1.26 -3.74 115.64 113.15 2b3w s THR 46 Ca 0.00 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.09 2b3w s THR 46 Cb 0.06 -1.00 0.29 0.00 0.01 0.00 0.00 72.50 71.86 2b3w s THR 46 CO 0.21 0.00 2.02 0.28 -0.69 0.00 0.00 174.62 176.45 2b3w h SER 47 N 2.62 0.45 -0.80 3.53 0.02 -1.80 -1.86 113.55 115.71 2b3w h SER 47 Ca -0.23 -0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.83 2b3w h SER 47 Cb 1.17 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 63.53 2b3w h SER 47 CO 0.34 0.31 0.42 -0.08 -1.14 0.00 0.00 176.83 176.68 2b3w h GLU 48 N 0.52 0.66 -0.29 3.45 4.22 -1.94 -0.30 114.58 120.90 2b3w h GLU 48 Ca 0.21 -0.04 -0.14 0.00 0.08 0.00 0.00 59.36 59.47 2b3w h GLU 48 Cb 0.17 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2b3w h GLU 48 CO -0.05 0.44 -0.39 0.45 -2.18 0.00 0.00 179.01 177.27 2b3w h HIS 49 N 0.68 0.82 -0.23 0.92 3.86 -1.72 -1.34 115.15 118.15 2b3w h HIS 49 Ca 0.40 -0.24 -0.14 0.00 -1.16 0.00 0.00 60.37 59.23 2b3w h HIS 49 Cb 0.45 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 2b3w h HIS 49 CO -0.09 0.97 -0.44 -0.92 0.86 0.00 0.00 177.93 178.32 2b3w h TYR 50 N 0.57 0.68 0.02 2.45 3.20 -1.40 -1.69 116.97 120.79 2b3w h TYR 50 Ca 0.05 -0.21 0.02 0.00 3.14 0.00 0.00 58.73 61.73 2b3w h TYR 50 Cb 0.93 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 2b3w h TYR 50 CO 0.04 0.90 -0.16 0.35 -1.64 0.00 0.00 178.16 177.66 2b3w h PHE 51 N 0.46 -0.42 0.01 -3.82 3.57 -0.56 -0.41 116.94 115.77 2b3w h PHE 51 Ca 0.03 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2b3w h PHE 51 Cb 0.95 0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2b3w h PHE 51 CO 0.04 -0.24 -0.00 1.96 -2.23 0.00 0.00 178.31 177.84 2b3w h GLN 52 N -0.28 -0.01 -0.19 1.11 1.08 -1.23 -1.15 115.11 114.44 2b3w h GLN 52 Ca 0.05 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.29 2b3w h GLN 52 Cb 0.34 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 2b3w h GLN 52 CO -0.14 0.33 0.13 0.00 -0.95 0.00 0.00 178.83 178.20 2b3w h ALA 53 N 0.64 2.10 0.11 3.87 0.00 -1.23 -1.03 119.26 123.72 2b3w h ALA 53 Ca -0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 2b3w h ALA 53 Cb 0.34 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.15 2b3w h ALA 53 CO 0.00 -0.15 -0.93 0.37 0.00 0.00 0.00 179.25 178.54 2b3w h GLN 54 N 0.06 0.43 -0.98 0.00 5.75 -0.96 -3.33 115.11 116.08 2b3w h GLN 54 Ca 0.09 -0.62 0.07 0.00 -0.15 0.00 0.00 58.65 58.04 2b3w h GLN 54 Cb 0.27 0.21 -0.07 0.00 1.07 0.00 0.00 27.48 28.97 2b3w h GLN 54 CO -0.01 1.26 0.64 -0.22 -2.65 0.00 0.00 178.83 177.85 2b3w h LYS 55 N -0.09 1.09 -6.05 1.69 3.64 0.04 -3.41 116.57 113.48 2b3w h LYS 55 Ca -0.15 -0.07 -0.60 0.00 -1.27 0.00 0.00 60.65 58.56 2b3w h LYS 55 Cb 1.68 -0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 33.20 2b3w h LYS 55 CO 0.18 0.72 -0.17 -0.06 -2.27 0.00 0.00 179.45 177.86 2b3w s PHE 56 N -6.00 3.74 -0.24 1.91 0.08 -0.65 -2.43 117.98 114.39 2b3w s PHE 56 Ca -0.12 1.05 0.16 0.00 0.12 0.00 0.00 56.93 58.14 2b3w s PHE 56 Cb 0.20 -2.34 0.43 0.00 -0.57 0.00 0.00 43.02 40.74 2b3w s PHE 56 CO 0.81 0.62 1.32 1.47 -0.10 0.00 0.00 175.22 179.35 2b3w n LEU 57 N 1.84 3.35 -4.70 -0.37 -0.00 -1.26 -4.83 117.00 111.02 2b3w n LEU 57 Ca -0.13 -2.87 -0.37 0.00 -0.00 0.00 0.00 56.01 52.64 2b3w n LEU 57 Cb 0.52 -0.46 -0.07 0.00 -0.00 0.00 0.00 43.42 43.41 2b3w n LEU 57 CO 0.38 0.68 -0.00 -1.81 -0.00 0.00 0.00 177.39 176.64 2b3w s ASP 58 N -2.00 6.40 0.11 1.45 1.11 -1.26 -5.00 116.67 117.48 2b3w s ASP 58 Ca 0.36 0.46 -0.20 0.00 0.18 0.00 0.00 52.55 53.35 2b3w s ASP 58 Cb 0.29 -2.19 -0.08 0.00 1.07 0.00 0.00 42.92 42.01 2b3w s ASP 58 CO 0.08 0.05 1.74 -0.33 1.18 0.00 0.00 175.17 177.89 2b3w h GLU 59 N 6.96 0.26 -0.39 8.23 5.08 -1.98 0.50 114.58 133.23 2b3w h GLU 59 Ca -0.39 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 57.96 2b3w h GLU 59 Cb 1.16 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2b3w h GLU 59 CO 0.74 0.21 0.23 0.87 -1.00 0.00 0.00 179.01 180.06 2b3w h LYS 60 N 0.23 0.46 -0.02 2.33 1.57 -1.99 -0.66 116.57 118.50 2b3w h LYS 60 Ca 0.07 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 2b3w h LYS 60 Cb 0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2b3w h LYS 60 CO -0.01 0.30 -0.76 -0.92 -0.57 0.00 0.00 179.45 177.49 2b3w h TYR 61 N 0.47 0.28 -0.37 -1.35 5.03 -1.94 -1.08 116.97 118.02 2b3w h TYR 61 Ca 0.15 -0.13 -0.06 0.00 2.58 0.00 0.00 58.73 61.27 2b3w h TYR 61 Cb 0.00 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.22 2b3w h TYR 61 CO -0.07 0.88 -0.04 -0.09 -1.32 0.00 0.00 178.16 177.52 2b3w h ARG 62 N 0.13 0.61 -0.05 1.82 2.43 -0.71 -2.17 114.38 116.44 2b3w h ARG 62 Ca -0.03 -0.15 -0.12 0.00 -0.81 0.00 0.00 59.98 58.87 2b3w h ARG 62 Cb 1.34 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 2b3w h ARG 62 CO 0.12 0.66 -0.50 1.49 -1.51 0.00 0.00 179.97 180.22 2b3w h GLU 63 N 0.57 0.13 -0.13 0.20 4.81 -0.61 -1.80 114.58 117.75 2b3w h GLU 63 Ca 0.11 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2b3w h GLU 63 Cb 0.42 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2b3w h GLU 63 CO 0.02 0.60 0.07 0.93 -0.73 0.00 0.00 179.01 179.91 2b3w h GLU 64 N 0.10 0.15 -0.70 1.92 4.39 -0.62 -1.84 114.58 117.99 2b3w h GLU 64 Ca 0.00 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2b3w h GLU 64 Cb 0.92 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 2b3w h GLU 64 CO 0.07 0.10 0.33 0.82 -1.16 0.00 0.00 179.01 179.17 2b3w h ILE 65 N 0.16 1.22 0.00 3.13 1.08 -1.14 -2.18 117.51 119.78 2b3w h ILE 65 Ca 0.05 -0.64 -0.05 0.00 -0.39 0.00 0.00 64.86 63.83 2b3w h ILE 65 Cb -0.01 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.07 2b3w h ILE 65 CO -0.02 0.27 -0.22 -0.09 -0.69 0.00 0.00 178.15 177.40 2b3w h ARG 66 N 0.99 0.00 -0.68 2.37 2.43 -1.12 -3.10 114.38 115.28 2b3w h ARG 66 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2b3w h ARG 66 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2b3w h ARG 66 CO -0.03 0.22 0.00 0.54 -1.51 0.00 0.00 179.97 179.19 2b3w n ARG 67 N -3.38 3.52 -5.14 0.20 1.74 -0.71 -4.85 116.66 108.03 2b3w n ARG 67 Ca 0.00 -2.84 -0.32 0.00 -0.77 0.00 0.00 57.85 53.92 2b3w n ARG 67 Cb 0.42 -1.83 -0.16 0.00 -1.02 0.00 0.00 32.46 29.87 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 -1.66 2.28 0.04 1.55 -7.23 -1.16 -5.00 120.40 109.22 2b3w s VAL 68 Ca 0.51 -0.96 0.08 0.00 -1.81 0.00 0.00 61.98 59.80 2b3w s VAL 68 Cb 0.32 -1.87 -0.23 0.00 0.56 0.00 0.00 36.38 35.16 2b3w s VAL 68 CO 0.27 0.56 0.96 0.28 -0.31 0.00 0.00 175.10 176.86 2b3w h SER 69 N 6.41 0.05 -3.19 4.85 0.02 -1.88 -3.45 113.55 116.35 2b3w h SER 69 Ca -0.26 -0.07 -0.57 0.00 -0.84 0.00 0.00 61.79 60.05 2b3w h SER 69 Cb 1.21 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.68 2b3w h SER 69 CO 0.49 1.06 0.63 -0.44 -1.14 0.00 0.00 176.83 177.43 2b3w s SER 70 N -6.48 7.09 0.24 3.07 0.01 -1.26 -4.93 113.70 111.45 2b3w s SER 70 Ca -0.03 1.36 0.04 0.00 1.31 0.00 0.00 55.95 58.63 2b3w s SER 70 Cb 0.09 -2.52 0.28 0.00 0.21 0.00 0.00 66.02 64.08 2b3w s SER 70 CO 0.83 -0.55 1.59 -0.65 0.41 0.00 0.00 173.24 174.87 2b3w h PRO 71 N 7.35 0.30 -0.91 12.44 0.11 -1.98 -3.17 132.00 146.13 2b3w h PRO 71 Ca -0.25 -0.18 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 2b3w h PRO 71 Cb 1.10 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 2b3w h PRO 71 CO 0.91 0.76 0.55 1.98 -0.21 0.00 0.00 178.00 181.99 2b3w h MET 72 N 0.23 1.23 0.19 1.05 -1.53 -1.98 0.32 114.93 114.45 2b3w h MET 72 Ca 0.00 -0.11 -0.01 0.00 -3.44 0.00 0.00 59.70 56.15 2b3w h MET 72 Cb 1.02 -0.26 0.00 0.00 -0.55 0.00 0.00 31.60 31.81 2b3w h MET 72 CO 0.09 0.86 -0.09 0.28 0.14 0.00 0.00 176.91 178.19 2b3w h VAL 73 N 1.26 0.84 -0.77 -5.77 2.07 -1.97 -0.99 116.25 110.91 2b3w h VAL 73 Ca 0.33 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.69 2b3w h VAL 73 Cb -0.06 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2b3w h VAL 73 CO -0.06 0.03 0.34 0.00 0.02 0.00 0.00 177.57 177.90 2b3w h ALA 74 N 0.48 1.00 0.03 1.67 0.00 -1.44 -2.36 119.26 118.65 2b3w h ALA 74 Ca -0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2b3w h ALA 74 Cb 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2b3w h ALA 74 CO 0.04 0.60 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 2b3w h ALA 75 N 1.18 -0.04 -0.16 0.00 0.00 -0.23 0.30 119.26 120.31 2b3w h ALA 75 Ca 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2b3w h ALA 75 Cb 0.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2b3w h ALA 75 CO -0.03 -0.52 0.03 0.00 0.00 0.00 0.00 179.25 178.74 2b3w h ARG 76 N -0.06 0.25 -0.00 0.00 3.08 -1.02 -0.74 114.38 115.89 2b3w h ARG 76 Ca -0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2b3w h ARG 76 Cb 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2b3w h ARG 76 CO 0.01 0.41 -0.21 0.00 -1.07 0.00 0.00 179.97 179.11 2b3w n MET 77 N -4.81 0.23 0.04 0.04 0.00 -0.90 -3.25 117.12 108.47 2b3w n MET 77 Ca -0.05 -0.08 0.11 0.00 0.00 0.00 0.00 57.70 57.68 2b3w n MET 77 Cb 0.17 -1.50 -0.02 0.00 0.00 0.00 0.00 33.22 31.87 2b3w n MET 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2b3w n GLY 78 N 1.43 -1.25 0.42 3.17 0.00 0.11 -4.29 105.19 104.78 2b3w n GLY 78 Ca 0.09 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.87 2b3w n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b3w n ARG 79 N -2.22 1.47 -2.84 1.61 1.74 -0.30 -4.82 116.66 111.30 2b3w n ARG 79 Ca 0.00 -0.84 -0.41 0.00 -0.77 0.00 0.00 57.85 55.83 2b3w n ARG 79 Cb 0.49 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.41 2b3w n ARG 79 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2b3w s ASP 80 N -2.11 7.27 -0.25 0.55 1.47 -1.26 -4.93 116.67 117.40 2b3w s ASP 80 Ca 0.35 1.53 0.13 0.00 1.18 0.00 0.00 52.55 55.74 2b3w s ASP 80 Cb 0.21 -2.52 0.65 0.00 -0.34 0.00 0.00 42.92 40.91 2b3w s ASP 80 CO 0.38 -0.16 1.61 -1.14 0.68 0.00 0.00 175.17 176.54 2b3w n ARG 81 N 3.57 3.35 -0.01 2.11 0.63 -1.26 -4.28 116.66 120.77 2b3w n ARG 81 Ca 0.02 -3.02 -0.10 0.00 -0.92 0.00 0.00 57.85 53.83 2b3w n ARG 81 Cb 0.51 -2.03 0.05 0.00 0.45 0.00 0.00 32.46 31.43 2b3w n ARG 81 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2b3w h SER 82 N 2.31 0.68 -3.66 6.15 0.02 -1.99 -3.44 113.55 113.63 2b3w h SER 82 Ca 0.12 -0.35 -0.49 0.00 -0.84 0.00 0.00 61.79 60.23 2b3w h SER 82 Cb 1.86 -0.19 0.03 0.00 0.14 0.00 0.00 62.40 64.23 2b3w h SER 82 CO 0.46 1.07 0.13 -1.59 -1.14 0.00 0.00 176.83 175.76 2b3w s LYS 83 N -4.07 3.63 0.63 3.45 -2.85 -1.26 -5.06 119.74 114.21 2b3w s LYS 83 Ca -0.08 0.32 -0.15 0.00 -1.00 0.00 0.00 55.97 55.06 2b3w s LYS 83 Cb 0.11 -2.37 -0.02 0.00 -2.06 0.00 0.00 37.83 33.50 2b3w s LYS 83 CO 0.85 -0.16 1.09 -1.25 0.10 0.00 0.00 175.35 175.97 2b3w s PRO 84 N -4.45 3.04 0.42 1.78 0.04 -1.26 -5.08 135.00 129.50 2b3w s PRO 84 Ca 0.49 1.32 0.05 0.00 0.04 0.00 0.00 61.00 62.90 2b3w s PRO 84 Cb -0.10 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 2b3w s PRO 84 CO 0.41 -1.05 0.02 -0.51 0.04 0.00 0.00 177.00 175.91 2b3w s LEU 85 N -4.67 2.63 0.33 -3.56 1.43 -1.26 -4.82 118.68 108.76 2b3w s LEU 85 Ca 0.66 -1.44 -0.28 0.00 -1.03 0.00 0.00 54.13 52.04 2b3w s LEU 85 Cb -0.19 -0.76 -0.10 0.00 0.03 0.00 0.00 46.19 45.18 2b3w s LEU 85 CO 0.39 -0.57 1.19 0.00 0.23 0.00 0.00 176.35 177.59 2b3w s ARG 86 N -3.77 4.38 0.13 1.70 1.70 -1.02 -4.94 118.95 117.13 2b3w s ARG 86 Ca 0.29 1.95 -0.18 0.00 -0.47 0.00 0.00 55.73 57.32 2b3w s ARG 86 Cb 0.08 -3.00 -0.03 0.00 -0.57 0.00 0.00 34.95 31.43 2b3w s ARG 86 CO 0.15 -0.07 1.74 -0.22 -1.08 0.00 0.00 175.30 175.82 2b3w h LYS 87 N 3.33 0.43 -0.92 3.89 3.64 -2.00 -2.42 116.57 122.53 2b3w h LYS 87 Ca -0.48 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.78 2b3w h LYS 87 Cb 1.22 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 2b3w h LYS 87 CO 0.65 0.35 0.10 0.09 -2.27 0.00 0.00 179.45 178.36 2b3w n ASN 88 N -4.82 2.89 -0.14 4.20 4.13 -1.26 -4.33 115.26 115.93 2b3w n ASN 88 Ca -0.01 -2.41 0.04 0.00 1.68 0.00 0.00 54.58 53.87 2b3w n ASN 88 Cb 0.06 -0.59 0.34 0.00 -1.54 0.00 0.00 39.78 38.06 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 0.92 0.75 -0.15 3.10 2.91 -1.82 -1.71 115.95 119.95 2b3w h TRP 89 Ca 0.09 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.16 2b3w h TRP 89 Cb 1.28 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 29.67 2b3w h TRP 89 CO 0.45 0.45 0.11 1.05 -1.03 0.00 0.00 178.44 179.46 2b3w h GLU 90 N 0.79 0.06 0.06 2.65 4.11 -1.85 0.02 114.58 120.42 2b3w h GLU 90 Ca 0.25 -0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.31 2b3w h GLU 90 Cb 0.04 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 2b3w h GLU 90 CO -0.07 0.04 -2.20 0.43 0.07 0.00 0.00 179.01 177.28 2b3w n SER 91 N -4.50 2.05 0.00 3.06 7.64 -0.74 -4.26 113.62 116.87 2b3w n SER 91 Ca 0.00 0.07 0.14 0.00 1.01 0.00 0.00 58.87 60.09 2b3w n SER 91 Cb 0.19 -0.67 0.65 0.00 -1.01 0.00 0.00 64.21 63.38 2b3w n SER 91 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2b3w n VAL 92 N -3.44 0.08 -0.19 0.44 0.24 -0.72 -3.72 118.33 111.02 2b3w n VAL 92 Ca -0.39 0.02 -0.00 0.00 -2.04 0.00 0.00 64.34 61.93 2b3w n VAL 92 Cb 1.01 -0.54 0.10 0.00 -1.47 0.00 0.00 33.84 32.94 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 0.00 0.30 0.00 7.34 3.64 -1.17 0.43 116.57 127.11 2b3w h LYS 93 Ca 0.00 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 2b3w h LYS 93 Cb 0.39 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2b3w h LYS 93 CO 0.00 0.20 -0.78 1.05 -2.27 0.00 0.00 179.45 177.65 2b3w h GLU 94 N 0.31 0.00 -0.35 1.90 4.11 -1.85 -2.69 114.58 116.01 2b3w h GLU 94 Ca 0.30 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.62 2b3w h GLU 94 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2b3w h GLU 94 CO -0.35 0.78 -0.22 1.96 0.07 0.00 0.00 179.01 181.24 2b3w h GLN 95 N 0.00 0.76 -0.30 1.06 1.08 -1.37 0.20 115.11 116.54 2b3w h GLN 95 Ca -0.01 -0.36 -0.00 0.00 -1.45 0.00 0.00 58.65 56.83 2b3w h GLN 95 Cb 1.48 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.89 2b3w h GLN 95 CO 0.10 0.98 0.17 0.28 -0.95 0.00 0.00 178.83 179.41 2b3w h VAL 96 N 0.54 1.12 -0.94 -0.54 2.07 -0.23 -1.41 116.25 116.87 2b3w h VAL 96 Ca 0.07 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2b3w h VAL 96 Cb 0.78 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2b3w h VAL 96 CO 0.06 0.12 0.55 0.24 0.02 0.00 0.00 177.57 178.57 2b3w h MET 97 N 0.37 1.28 -0.55 1.57 2.86 -1.36 -1.15 114.93 117.95 2b3w h MET 97 Ca 0.11 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2b3w h MET 97 Cb 0.04 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.42 2b3w h MET 97 CO -0.02 0.90 0.27 -0.09 1.06 0.00 0.00 176.91 179.04 2b3w h ARG 98 N 1.30 0.79 -0.49 1.72 2.43 -0.60 0.14 114.38 119.66 2b3w h ARG 98 Ca 0.34 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2b3w h ARG 98 Cb -0.04 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 2b3w h ARG 98 CO -0.06 0.64 0.26 0.87 -1.51 0.00 0.00 179.97 180.17 2b3w h LYS 99 N 0.74 0.70 -0.44 0.20 1.57 -0.86 0.24 116.57 118.72 2b3w h LYS 99 Ca 0.19 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2b3w h LYS 99 Cb 0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2b3w h LYS 99 CO -0.02 0.56 0.14 0.00 -0.57 0.00 0.00 179.45 179.56 2b3w h ALA 100 N 1.10 0.58 -0.36 3.86 0.00 -0.84 -0.75 119.26 122.85 2b3w h ALA 100 Ca 0.17 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2b3w h ALA 100 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2b3w h ALA 100 CO -0.03 0.22 -0.32 -0.07 0.00 0.00 0.00 179.25 179.06 2b3w h LEU 101 N 0.57 0.89 0.26 0.00 3.38 -0.58 -1.27 115.31 118.57 2b3w h LEU 101 Ca 0.14 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 2b3w h LEU 101 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2b3w h LEU 101 CO -0.01 1.16 -0.20 -0.09 0.09 0.00 0.00 178.44 179.40 2b3w h ARG 102 N 0.63 -0.44 0.00 1.13 2.43 -0.38 -1.44 114.38 116.32 2b3w h ARG 102 Ca 0.06 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2b3w h ARG 102 Cb 0.90 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2b3w h ARG 102 CO 0.08 -0.30 -0.13 0.00 -1.51 0.00 0.00 179.97 178.11 2b3w h ALA 103 N 0.24 1.44 0.40 2.80 0.00 -1.14 -0.42 119.26 122.59 2b3w h ALA 103 Ca -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2b3w h ALA 103 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2b3w h ALA 103 CO -0.01 0.16 -0.19 -0.22 0.00 0.00 0.00 179.25 178.99 2b3w h LYS 104 N 0.00 -0.52 0.00 0.00 3.64 -0.55 0.21 116.57 119.34 2b3w h LYS 104 Ca -0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2b3w h LYS 104 Cb 0.30 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2b3w h LYS 104 CO 0.02 -0.23 0.00 1.19 -2.27 0.00 0.00 179.45 178.16 2b3w n PHE 105 N -5.23 0.00 -0.03 1.91 3.01 -0.60 -2.45 117.46 114.07 2b3w n PHE 105 Ca -0.10 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.20 2b3w n PHE 105 Cb 0.28 -0.32 -0.14 0.00 -0.01 0.00 0.00 39.48 39.29 2b3w n PHE 105 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2b3w n GLU 106 N -1.32 0.70 -0.10 -1.08 1.02 -0.19 -4.08 120.64 115.58 2b3w n GLU 106 Ca 0.13 0.24 -0.11 0.00 -0.02 0.00 0.00 57.16 57.40 2b3w n GLU 106 Cb 0.25 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 2b3w n GLU 106 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2b3w h GLN 107 N 0.03 0.53 -4.79 3.49 5.75 -0.45 -3.41 115.11 116.26 2b3w h GLN 107 Ca -0.40 -0.17 -0.68 0.00 -0.15 0.00 0.00 58.65 57.24 2b3w h GLN 107 Cb 2.03 -0.04 -0.32 0.00 1.07 0.00 0.00 27.48 30.22 2b3w h GLN 107 CO 0.06 0.68 -0.70 -1.01 -2.65 0.00 0.00 178.83 175.22 2b3w s HIS 108 N -4.95 3.21 0.33 3.99 3.76 -1.02 -4.95 115.29 115.66 2b3w s HIS 108 Ca -0.13 -1.69 0.33 0.00 -0.15 0.00 0.00 55.06 53.41 2b3w s HIS 108 Cb 0.08 -2.12 1.57 0.00 1.11 0.00 0.00 32.58 33.22 2b3w s HIS 108 CO 0.76 -0.76 2.08 0.00 -0.85 0.00 0.00 174.74 175.97 2b3w h ALA 109 N 8.04 1.10 -0.23 -1.40 0.00 -1.80 -2.33 119.26 122.64 2b3w h ALA 109 Ca -0.24 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.64 2b3w h ALA 109 Cb 1.08 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2b3w h ALA 109 CO 0.55 0.08 0.03 0.93 0.00 0.00 0.00 179.25 180.85 2b3w h GLU 110 N 0.00 0.11 -0.35 0.00 3.07 -1.92 0.17 114.58 115.66 2b3w h GLU 110 Ca -0.00 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.71 2b3w h GLU 110 Cb 0.37 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2b3w h GLU 110 CO 0.01 0.07 -0.36 -0.07 -1.40 0.00 0.00 179.01 177.27 2b3w h LEU 111 N 0.11 0.86 -0.67 1.33 3.38 -1.77 -2.02 115.31 116.53 2b3w h LEU 111 Ca 0.11 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.73 2b3w h LEU 111 Cb 0.11 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2b3w h LEU 111 CO -0.15 1.12 0.41 -0.09 0.09 0.00 0.00 178.44 179.82 2b3w h ARG 112 N 0.67 0.77 -0.57 1.13 2.43 -1.10 0.26 114.38 117.97 2b3w h ARG 112 Ca 0.06 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2b3w h ARG 112 Cb 0.91 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 2b3w h ARG 112 CO 0.08 0.51 0.25 0.00 -1.51 0.00 0.00 179.97 179.30 2b3w h ALA 113 N 1.29 0.74 -0.62 2.80 0.00 -0.45 -0.67 119.26 122.36 2b3w h ALA 113 Ca 0.27 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2b3w h ALA 113 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2b3w h ALA 113 CO -0.11 0.34 0.02 1.25 0.00 0.00 0.00 179.25 180.75 2b3w h LEU 114 N 0.78 1.05 -1.02 0.00 5.85 -0.86 0.14 115.31 121.26 2b3w h LEU 114 Ca 0.19 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 2b3w h LEU 114 Cb 0.17 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2b3w h LEU 114 CO -0.02 1.09 -0.10 0.25 -0.34 0.00 0.00 178.44 179.33 2b3w h LEU 115 N 0.99 0.58 -0.51 2.25 5.85 -0.20 -1.72 115.31 122.54 2b3w h LEU 115 Ca 0.18 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2b3w h LEU 115 Cb 0.53 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.41 2b3w h LEU 115 CO 0.03 0.72 -0.16 0.18 -0.34 0.00 0.00 178.44 178.86 2b3w n LEU 116 N -4.20 0.96 0.06 2.25 4.32 -0.28 -3.10 117.00 117.00 2b3w n LEU 116 Ca 0.01 -0.24 -0.15 0.00 -0.02 0.00 0.00 56.01 55.61 2b3w n LEU 116 Cb 0.32 -0.11 -0.14 0.00 -1.62 0.00 0.00 43.42 41.88 2b3w n LEU 116 CO 0.41 0.17 -0.29 0.00 -1.22 0.00 0.00 177.39 176.46 2b3w h ALA 117 N 3.81 0.31 0.00 -1.18 0.00 -0.12 -3.28 119.26 118.81 2b3w h ALA 117 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 2b3w h ALA 117 Cb 0.45 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2b3w h ALA 117 CO 0.00 1.18 0.00 0.25 0.00 0.00 0.00 179.25 180.68 2b3w n THR 118 N -3.42 0.71 -1.76 0.00 -2.24 -0.78 -4.11 114.28 102.69 2b3w n THR 118 Ca -0.14 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 2b3w n THR 118 Cb 1.03 -0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 68.39 2b3w n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b3w n ALA 119 N -1.80 2.33 -1.50 6.98 0.00 -1.18 -0.17 120.51 125.17 2b3w n ALA 119 Ca 0.04 0.35 -0.32 0.00 0.00 0.00 0.00 53.44 53.52 2b3w n ALA 119 Cb 0.34 -2.42 0.07 0.00 0.00 0.00 0.00 19.45 17.44 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 1.06 2.89 -1.56 0.00 -0.04 -1.26 -4.50 135.00 131.59 2b3w n PRO 120 Ca 0.04 -3.50 -0.30 0.00 -0.04 0.00 0.00 63.50 59.71 2b3w n PRO 120 Cb 0.38 -2.28 0.19 0.00 -0.04 0.00 0.00 33.50 31.75 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 -3.76 1.59 -0.12 0.55 0.00 0.76 -4.99 121.76 115.79 2b3w s ALA 121 Ca 0.61 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 51.43 2b3w s ALA 121 Cb 0.48 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 2b3w s ALA 121 CO 0.00 -2.80 0.43 0.15 0.00 0.00 0.00 175.76 173.55 2b3w s LYS 122 N -5.60 4.29 -0.37 0.00 1.02 -0.93 -4.95 119.74 113.19 2b3w s LYS 122 Ca 0.71 0.37 -0.18 0.00 0.02 0.00 0.00 55.97 56.88 2b3w s LYS 122 Cb -0.08 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 2b3w s LYS 122 CO 0.54 0.22 0.51 -0.51 -0.92 0.00 0.00 175.35 175.19 2b3w s LEU 123 N 0.46 4.44 -0.23 3.17 1.43 -1.26 -0.58 118.68 126.10 2b3w s LEU 123 Ca 0.24 -0.17 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2b3w s LEU 123 Cb -0.15 -2.56 0.07 0.00 0.03 0.00 0.00 46.19 43.58 2b3w s LEU 123 CO 0.09 -0.53 0.04 -0.69 0.23 0.00 0.00 176.35 175.50 2b3w s VAL 124 N 2.39 0.74 -0.25 -1.59 1.01 -0.24 -4.36 120.40 118.10 2b3w s VAL 124 Ca 0.18 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.99 2b3w s VAL 124 Cb -0.16 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.92 2b3w s VAL 124 CO 0.14 -0.33 1.19 -0.70 0.00 0.00 0.00 175.10 175.40 2b3w s GLU 125 N 1.74 4.11 -0.39 2.72 2.12 -1.26 -1.85 118.70 125.89 2b3w s GLU 125 Ca 0.01 1.36 -0.25 0.00 0.36 0.00 0.00 54.97 56.46 2b3w s GLU 125 Cb -0.17 -3.77 0.02 0.00 0.26 0.00 0.00 34.13 30.46 2b3w s GLU 125 CO -0.13 -0.85 0.87 -1.58 -0.54 0.00 0.00 175.26 173.02 2b3w s HIS 126 N 3.72 3.06 -0.15 5.30 5.65 0.58 -1.66 115.29 131.78 2b3w s HIS 126 Ca 0.51 0.59 -0.03 0.00 0.25 0.00 0.00 55.06 56.38 2b3w s HIS 126 Cb -0.17 -3.62 0.05 0.00 -1.18 0.00 0.00 32.58 27.66 2b3w s HIS 126 CO 0.16 -0.85 0.05 -0.08 -0.65 0.00 0.00 174.74 173.36 2b3w s THR 127 N 3.38 0.25 -0.46 0.89 -1.32 -1.26 -4.63 115.64 112.48 2b3w s THR 127 Ca 0.35 -0.23 0.15 0.00 -1.21 0.00 0.00 61.69 60.75 2b3w s THR 127 Cb -0.12 -0.73 0.81 0.00 -1.51 0.00 0.00 72.50 70.95 2b3w s THR 127 CO 0.20 -0.12 1.73 -1.84 -2.21 0.00 0.00 174.62 172.38 2b3w n GLU 128 N 5.16 4.67 -0.09 7.08 -0.00 -1.26 -0.48 120.64 135.72 2b3w n GLU 128 Ca -0.07 -3.12 -0.23 0.00 -0.00 0.00 0.00 57.16 53.74 2b3w n GLU 128 Cb 0.48 -2.19 -0.12 0.00 -0.00 0.00 0.00 31.44 29.61 2b3w n GLU 128 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2b3w n ASN 129 N 0.76 1.99 -4.37 -1.84 2.85 -1.26 -4.83 115.26 108.57 2b3w n ASN 129 Ca 0.28 0.18 -0.19 0.00 -0.11 0.00 0.00 54.58 54.74 2b3w n ASN 129 Cb 1.14 -0.74 -0.10 0.00 1.24 0.00 0.00 39.78 41.31 2b3w n ASN 129 CO 0.00 0.00 0.00 1.51 -2.11 0.00 0.00 177.26 176.66 2b3w s ASP 130 N -6.97 2.02 -0.42 1.20 -4.77 -1.26 -5.11 116.67 101.36 2b3w s ASP 130 Ca -0.32 -1.26 0.02 0.00 -3.30 0.00 0.00 52.55 47.69 2b3w s ASP 130 Cb 0.09 -0.02 0.15 0.00 -1.09 0.00 0.00 42.92 42.05 2b3w s ASP 130 CO 0.61 -0.53 0.28 0.00 0.70 0.00 0.00 175.17 176.23 2b3w s ALA 131 N -3.37 1.61 0.00 2.11 0.00 -1.26 -4.06 121.76 116.80 2b3w s ALA 131 Ca 0.31 -2.38 0.00 0.00 0.00 0.00 0.00 51.96 49.89 2b3w s ALA 131 Cb 0.06 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2b3w s ALA 131 CO 0.11 -2.06 0.00 0.98 0.00 0.00 0.00 175.76 174.79 2b3w n TYR 132 N 3.40 0.00 -1.14 0.00 4.19 -0.31 -4.81 117.16 118.49 2b3w n TYR 132 Ca 0.17 0.00 0.09 0.00 3.31 0.00 0.00 57.90 61.47 2b3w n TYR 132 Cb 0.39 0.00 0.14 0.00 0.49 0.00 0.00 39.34 40.36 2b3w n TYR 132 CO 0.00 0.00 0.00 0.91 0.91 0.00 0.00 176.86 178.68 2b3w n TRP 133 N -1.03 0.00 -1.50 2.98 7.02 -1.16 -4.47 117.44 119.28 2b3w n TRP 133 Ca 0.00 -1.00 0.00 0.00 -1.02 0.00 0.00 57.50 55.48 2b3w n TRP 133 Cb 0.00 -0.15 0.00 0.00 -2.42 0.00 0.00 31.31 28.74 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 -1.36 4.33 0.10 6.99 0.00 -1.04 -4.39 105.19 109.81 2b3w n GLY 134 Ca 0.16 -0.79 0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 0.80 -1.27 1.61 5.75 -0.66 -1.69 116.55 121.09 2b3w n ASP 135 Ca 0.00 0.45 -0.13 0.00 -0.01 0.00 0.00 54.79 55.10 2b3w n ASP 135 Cb 0.00 -0.53 -0.02 0.00 -1.03 0.00 0.00 41.12 39.54 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 1.31 0.39 4.16 6.12 0.00 -1.09 -0.37 105.19 115.70 2b3w n GLY 136 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.16 2.22 0.06 -0.02 0.00 0.37 -4.48 105.19 102.18 2b3w n GLY 137 Ca -0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.50 0.00 0.00 1.61 1.44 -1.20 -4.90 115.22 111.67 2b3w n HIS 138 Ca 0.00 -0.22 0.00 0.00 -2.01 0.00 0.00 57.72 55.49 2b3w n HIS 138 Cb 0.00 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.08 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 -0.25 3.13 2.79 -1.39 0.00 0.50 -4.93 105.19 105.03 2b3w n GLY 139 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.58 3.78 -0.08 1.61 4.81 -0.94 -4.65 118.16 122.10 2b3w n LYS 140 Ca 0.00 -4.60 0.04 0.00 -0.87 0.00 0.00 58.31 52.88 2b3w n LYS 140 Cb 0.00 -2.42 0.06 0.00 0.02 0.00 0.00 35.03 32.69 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 1.13 2.91 2.77 3.14 0.00 -0.58 -4.69 105.19 109.86 2b3w n GLY 141 Ca 0.28 -0.47 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.78 -1.87 0.00 1.61 5.02 -1.11 -1.16 118.16 119.87 2b3w n LYS 142 Ca 0.07 1.80 0.06 0.00 -2.02 0.00 0.00 58.31 58.22 2b3w n LYS 142 Cb 0.49 -5.30 0.38 0.00 -0.02 0.00 0.00 35.03 30.57 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 -0.73 0.00 0.18 4.39 5.15 -0.68 -2.51 115.26 121.06 2b3w n ASN 143 Ca 0.08 -1.39 0.15 0.00 -0.60 0.00 0.00 54.58 52.81 2b3w n ASN 143 Cb 0.44 0.00 0.52 0.00 -0.53 0.00 0.00 39.78 40.21 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 -0.38 1.20 3.08 -1.86 0.43 114.38 116.86 2b3w h ARG 144 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 2b3w h ARG 144 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 2b3w h ARG 144 CO 0.00 0.00 0.13 1.25 -1.07 0.00 0.00 179.97 180.28 2b3w h LEU 145 N 0.00 0.13 -1.39 3.04 5.85 -1.77 -0.46 115.31 120.71 2b3w h LEU 145 Ca 0.13 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2b3w h LEU 145 Cb 1.52 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 2b3w h LEU 145 CO -0.00 0.11 -0.30 1.23 -0.34 0.00 0.00 178.44 179.14 2b3w h GLY 146 N 0.28 0.00 1.31 3.75 0.00 -0.33 -2.20 103.07 105.88 2b3w h GLY 146 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.37 2b3w h GLY 146 CO -0.18 0.00 -0.33 -1.82 0.00 0.00 0.00 176.54 174.21 2b3w h TYR 147 N 0.00 0.90 -0.76 5.60 3.20 -1.24 0.96 116.97 125.64 2b3w h TYR 147 Ca -0.00 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.61 2b3w h TYR 147 Cb 0.60 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 2b3w h TYR 147 CO 0.00 1.00 0.43 -0.07 -1.64 0.00 0.00 178.16 177.88 2b3w h LEU 148 N 0.65 0.93 -1.18 2.82 3.38 -0.62 -1.71 115.31 119.58 2b3w h LEU 148 Ca 0.07 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2b3w h LEU 148 Cb 0.86 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2b3w h LEU 148 CO 0.08 0.74 -0.06 -0.07 0.09 0.00 0.00 178.44 179.22 2b3w h LEU 149 N 1.04 0.47 -0.07 1.67 3.38 -1.00 -1.41 115.31 119.39 2b3w h LEU 149 Ca 0.27 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 2b3w h LEU 149 Cb 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2b3w h LEU 149 CO -0.05 0.58 0.04 0.24 0.09 0.00 0.00 178.44 179.34 2b3w h MET 150 N 0.47 0.10 -0.39 1.13 2.86 0.04 0.29 114.93 119.43 2b3w h MET 150 Ca 0.10 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 2b3w h MET 150 Cb 0.39 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 2b3w h MET 150 CO 0.02 0.14 -0.20 0.93 1.06 0.00 0.00 176.91 178.86 2b3w h GLU 151 N 0.03 0.74 -0.56 1.72 5.08 -1.17 0.15 114.58 120.58 2b3w h GLU 151 Ca 0.02 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 2b3w h GLU 151 Cb 0.07 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2b3w h GLU 151 CO -0.00 0.88 0.20 1.25 -1.00 0.00 0.00 179.01 180.34 2b3w h LEU 152 N 0.66 0.80 -0.67 1.33 5.85 -1.09 -0.70 115.31 121.48 2b3w h LEU 152 Ca 0.10 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2b3w h LEU 152 Cb 0.69 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2b3w h LEU 152 CO 0.05 0.78 0.36 -0.09 -0.34 0.00 0.00 178.44 179.20 2b3w h ARG 153 N 0.78 0.94 -0.66 1.25 2.43 0.03 0.28 114.38 119.43 2b3w h ARG 153 Ca 0.18 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2b3w h ARG 153 Cb 0.25 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 2b3w h ARG 153 CO -0.01 0.71 0.38 1.49 -1.51 0.00 0.00 179.97 181.03 2b3w h GLU 154 N 0.92 0.70 -0.26 0.20 4.57 -0.37 0.22 114.58 120.57 2b3w h GLU 154 Ca 0.24 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.33 2b3w h GLU 154 Cb 0.05 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 2b3w h GLU 154 CO -0.04 0.46 -0.02 0.37 -1.18 0.00 0.00 179.01 178.61 2b3w h GLN 155 N 0.72 0.48 0.00 1.92 4.15 -0.60 -2.62 115.11 119.17 2b3w h GLN 155 Ca 0.28 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 2b3w h GLN 155 Cb 0.12 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 2b3w h GLN 155 CO -0.15 0.66 -0.38 -0.07 -1.93 0.00 0.00 178.83 176.96 2b3w h LEU 156 N 0.25 0.00 -0.44 -2.39 3.38 -0.66 -1.59 115.31 113.86 2b3w h LEU 156 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2b3w h LEU 156 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2b3w h LEU 156 CO 0.02 0.38 0.26 0.00 0.09 0.00 0.00 178.44 179.20 2b3w h ALA 157 N 1.62 0.55 -0.17 1.53 0.00 -0.37 -1.70 119.26 120.71 2b3w h ALA 157 Ca -0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2b3w h ALA 157 Cb 0.77 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2b3w h ALA 157 CO 0.05 0.04 -0.40 0.82 0.00 0.00 0.00 179.25 179.76 2b3w h ILE 158 N 0.58 1.30 0.05 0.00 2.04 -1.08 0.26 117.51 120.67 2b3w h ILE 158 Ca 0.16 -1.54 0.02 0.00 1.00 0.00 0.00 64.86 64.50 2b3w h ILE 158 Cb -0.01 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 2b3w h ILE 158 CO -0.03 0.47 -0.17 -0.08 0.00 0.00 0.00 178.15 178.34 2b3w h GLU 159 N 0.33 -0.30 0.00 2.37 4.22 -0.93 0.37 114.58 120.64 2b3w h GLU 159 Ca 0.03 0.02 -0.09 0.00 0.08 0.00 0.00 59.36 59.40 2b3w h GLU 159 Cb 0.85 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2b3w h GLU 159 CO 0.07 -0.20 -0.43 -0.22 -2.18 0.00 0.00 179.01 176.05 2b3w h LYS 160 N -0.31 0.00 -0.09 1.92 3.64 -1.22 -2.44 116.57 118.06 2b3w h LYS 160 Ca 0.04 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 2b3w h LYS 160 Cb 0.36 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2b3w h LYS 160 CO -0.13 0.43 -0.48 1.25 -2.27 0.00 0.00 179.45 178.24 2b3w h LEU 161 N 0.00 0.26 0.39 5.20 5.85 0.04 -3.22 115.31 123.83 2b3w h LEU 161 Ca -0.00 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2b3w h LEU 161 Cb 1.15 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2b3w h LEU 161 CO 0.06 0.71 -0.19 -0.08 -0.34 0.00 0.00 178.44 178.59 2b3w h GLU 162 N 0.19 -0.51 -4.36 1.25 4.22 -0.10 -3.46 114.58 111.81 2b3w h GLU 162 Ca 0.01 0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.43 2b3w h GLU 162 Cb 0.93 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2b3w h GLU 162 CO 0.08 -0.27 -0.07 -2.39 -2.18 0.00 0.00 179.01 174.18 2b3w n HIS 163 N -5.13 -1.74 -0.11 0.92 1.44 -0.93 -4.72 115.22 104.96 2b3w n HIS 163 Ca -0.08 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.51 2b3w n HIS 163 Cb 0.24 -1.40 -0.14 0.00 0.12 0.00 0.00 29.99 28.82 2b3w n HIS 163 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2b3w n HIS 164 N -2.51 0.00 -2.15 -1.40 -0.00 -1.26 -4.91 115.22 102.99 2b3w n HIS 164 Ca -0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.27 2b3w n HIS 164 Cb 0.47 -0.95 -0.03 0.00 -0.00 0.00 0.00 29.99 29.48 2b3w n HIS 164 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2b3w s HIS 165 N -2.48 3.20 0.15 1.57 -3.43 -1.26 -5.02 115.29 108.03 2b3w s HIS 165 Ca -0.20 1.04 0.02 0.00 -0.80 0.00 0.00 55.06 55.12 2b3w s HIS 165 Cb 0.07 -3.69 0.02 0.00 -1.43 0.00 0.00 32.58 27.55 2b3w s HIS 165 CO 0.69 -2.31 0.17 0.72 -2.00 0.00 0.00 174.74 172.01 2b3w n HIS 166 N 3.22 -2.13 -3.18 0.38 8.25 -1.26 -5.09 115.22 115.42 2b3w n HIS 166 Ca 0.09 -0.60 -0.39 0.00 -0.26 0.00 0.00 57.72 56.56 2b3w n HIS 166 Cb 0.42 -0.14 -0.05 0.00 1.12 0.00 0.00 29.99 31.34 2b3w n HIS 166 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2b3w s HIS 167 N -0.31 3.57 0.00 4.41 3.76 -1.26 -5.23 115.29 120.23 2b3w s HIS 167 Ca 0.13 1.09 0.00 0.00 -0.15 0.00 0.00 55.06 56.13 2b3w s HIS 167 Cb -0.01 -2.67 0.00 0.00 1.11 0.00 0.00 32.58 31.01 2b3w s HIS 167 CO 0.08 0.16 0.00 0.72 -0.85 0.00 0.00 174.74 174.85