#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 3.74 0.02 3.17 0.04 -1.26 -5.03 135.00 135.68 2b3w s PRO 2 Ca 0.00 0.45 -0.30 0.00 0.04 0.00 0.00 61.00 61.18 2b3w s PRO 2 Cb 0.00 -2.37 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 2b3w s PRO 2 CO 0.00 -0.09 1.44 0.54 0.04 0.00 0.00 177.00 178.93 2b3w s VAL 3 N -2.47 3.55 -1.14 -0.36 0.11 -1.26 -4.92 120.40 113.91 2b3w s VAL 3 Ca 0.51 0.97 -0.19 0.00 -2.93 0.00 0.00 61.98 60.34 2b3w s VAL 3 Cb -0.10 -3.63 0.09 0.00 -1.53 0.00 0.00 36.38 31.21 2b3w s VAL 3 CO 0.34 0.01 1.51 -0.60 -3.33 0.00 0.00 175.10 173.03 2b3w s ARG 4 N 2.29 3.82 -0.22 1.54 3.52 -1.26 -4.84 118.95 123.79 2b3w s ARG 4 Ca 0.66 -1.75 -0.03 0.00 -0.13 0.00 0.00 55.73 54.48 2b3w s ARG 4 Cb -0.33 -5.33 0.03 0.00 -1.56 0.00 0.00 34.95 27.76 2b3w s ARG 4 CO 0.28 -2.11 2.55 0.00 -0.81 0.00 0.00 175.30 175.22 2b3w n ALA 5 N 7.92 5.52 -2.45 6.12 0.00 -1.26 -4.82 120.51 131.54 2b3w n ALA 5 Ca 0.38 -1.74 -0.38 0.00 0.00 0.00 0.00 53.44 51.70 2b3w n ALA 5 Cb 0.48 -1.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.84 3.32 0.71 0.00 -0.21 -1.26 -4.96 119.66 116.41 2b3w s GLN 6 Ca 0.40 -0.79 -0.11 0.00 0.02 0.00 0.00 55.36 54.87 2b3w s GLN 6 Cb 0.25 -5.12 0.01 0.00 1.00 0.00 0.00 33.01 29.16 2b3w s GLN 6 CO -0.06 -2.43 1.07 1.03 -2.12 0.00 0.00 175.29 172.78 2b3w s ARG 7 N 5.52 2.85 0.10 2.91 0.52 -1.26 -4.97 118.95 124.62 2b3w s ARG 7 Ca 0.50 0.67 -0.31 0.00 -0.52 0.00 0.00 55.73 56.06 2b3w s ARG 7 Cb -0.03 -2.00 -0.09 0.00 0.52 0.00 0.00 34.95 33.35 2b3w s ARG 7 CO -0.04 -1.08 1.58 0.42 0.02 0.00 0.00 175.30 176.19 2b3w s ILE 8 N -3.21 2.97 -1.34 1.52 1.01 -1.26 -4.87 121.20 116.01 2b3w s ILE 8 Ca 0.58 0.56 -0.13 0.00 0.00 0.00 0.00 60.65 61.66 2b3w s ILE 8 Cb -0.12 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 2b3w s ILE 8 CO 0.53 0.02 2.40 0.00 0.00 0.00 0.00 174.94 177.90 2b3w n GLN 9 N 4.85 2.83 -0.82 2.79 1.13 -1.26 -4.63 117.38 122.26 2b3w n GLN 9 Ca 0.15 -2.22 0.00 0.00 -1.94 0.00 0.00 57.00 52.98 2b3w n GLN 9 Cb 0.40 -2.98 0.00 0.00 0.11 0.00 0.00 30.24 27.77 2b3w n GLN 9 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2b3w n HIS 10 N 5.28 -1.49 -2.14 1.08 8.25 -1.26 -5.06 115.22 119.87 2b3w n HIS 10 Ca 0.59 0.86 -0.28 0.00 -0.26 0.00 0.00 57.72 58.63 2b3w n HIS 10 Cb 0.31 -2.39 0.18 0.00 1.12 0.00 0.00 29.99 29.22 2b3w n HIS 10 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2b3w s VAL 11 N -0.57 2.00 0.47 1.59 -7.23 -1.26 -5.09 120.40 110.31 2b3w s VAL 11 Ca 0.00 -0.19 -0.01 0.00 -1.81 0.00 0.00 61.98 59.97 2b3w s VAL 11 Cb 0.00 -2.82 -0.00 0.00 0.56 0.00 0.00 36.38 34.12 2b3w s VAL 11 CO 0.00 0.00 0.71 -0.04 -0.31 0.00 0.00 175.10 175.46 2b3w s MET 12 N -5.73 3.06 -0.09 4.82 -1.94 -1.26 -4.93 119.30 113.23 2b3w s MET 12 Ca 0.74 -0.39 -0.31 0.00 -1.71 0.00 0.00 55.69 54.03 2b3w s MET 12 Cb -0.03 -2.51 -0.09 0.00 2.01 0.00 0.00 34.83 34.22 2b3w s MET 12 CO 0.51 -0.33 2.03 0.94 -0.01 0.00 0.00 175.02 178.16 2b3w n GLN 13 N -2.16 2.34 -3.26 2.03 7.27 -1.26 -3.12 117.38 119.21 2b3w n GLN 13 Ca 0.02 0.80 -0.14 0.00 0.07 0.00 0.00 57.00 57.75 2b3w n GLN 13 Cb 0.58 -2.94 0.01 0.00 2.41 0.00 0.00 30.24 30.29 2b3w n GLN 13 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2b3w n ASP 14 N 8.57 -6.75 -4.62 1.69 8.00 -1.26 -4.96 116.55 117.21 2b3w n ASP 14 Ca 0.25 -0.15 -0.38 0.00 0.71 0.00 0.00 54.79 55.21 2b3w n ASP 14 Cb 0.38 -3.85 -0.09 0.00 -0.02 0.00 0.00 41.12 37.53 2b3w n ASP 14 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2b3w s THR 15 N -2.64 5.23 -0.85 -3.53 2.01 -1.18 -4.91 115.64 109.77 2b3w s THR 15 Ca 0.13 0.47 -0.25 0.00 0.31 0.00 0.00 61.69 62.35 2b3w s THR 15 Cb -0.02 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.89 2b3w s THR 15 CO 0.81 0.22 1.30 -0.63 -0.69 0.00 0.00 174.62 175.63 2b3w s ILE 16 N 1.73 3.91 -0.88 1.82 -1.09 -1.26 -0.57 121.20 124.86 2b3w s ILE 16 Ca 0.13 -0.21 -0.19 0.00 -2.23 0.00 0.00 60.65 58.16 2b3w s ILE 16 Cb -0.15 -4.94 0.13 0.00 -1.58 0.00 0.00 42.46 35.91 2b3w s ILE 16 CO 0.09 -1.83 1.07 -0.63 -1.23 0.00 0.00 174.94 172.41 2b3w s ILE 17 N 5.12 4.73 -0.55 2.92 1.01 0.10 -4.96 121.20 129.57 2b3w s ILE 17 Ca 0.38 -1.45 -0.18 0.00 0.00 0.00 0.00 60.65 59.40 2b3w s ILE 17 Cb -0.06 -4.74 0.09 0.00 0.01 0.00 0.00 42.46 37.77 2b3w s ILE 17 CO 0.04 -1.46 0.60 0.54 0.00 0.00 0.00 174.94 174.66 2b3w s ASN 18 N 3.57 6.19 -0.17 3.58 2.20 -1.25 -0.81 114.94 128.25 2b3w s ASN 18 Ca 0.30 -1.38 -0.07 0.00 -0.94 0.00 0.00 52.86 50.76 2b3w s ASN 18 Cb -0.07 -2.26 -0.04 0.00 -2.00 0.00 0.00 41.25 36.87 2b3w s ASN 18 CO -0.07 -0.95 0.08 0.72 -2.94 0.00 0.00 177.10 173.95 2b3w s PHE 19 N 2.30 3.32 -0.29 1.54 -0.12 -0.63 -4.80 117.98 119.29 2b3w s PHE 19 Ca 0.09 0.19 0.01 0.00 -0.05 0.00 0.00 56.93 57.17 2b3w s PHE 19 Cb -0.24 -2.05 0.15 0.00 -0.63 0.00 0.00 43.02 40.25 2b3w s PHE 19 CO 0.07 0.28 0.36 -0.47 -0.05 0.00 0.00 175.22 175.41 2b3w s TYR 20 N 0.08 -0.79 0.00 3.49 5.04 -1.26 -3.80 117.35 120.10 2b3w s TYR 20 Ca 0.06 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.85 2b3w s TYR 20 Cb -0.12 -0.27 0.00 0.00 0.35 0.00 0.00 41.96 41.92 2b3w s TYR 20 CO 0.00 -0.95 0.00 0.45 -1.34 0.00 0.00 175.55 173.71 2b3w n SER 21 N 5.34 0.00 0.00 4.32 2.88 -1.26 -4.99 113.62 119.91 2b3w n SER 21 Ca -0.01 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 2b3w n SER 21 Cb 0.48 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 64.44 2b3w n SER 21 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2b3w n THR 22 N 0.00 0.00 0.00 2.46 -1.04 -1.26 -2.46 114.28 111.98 2b3w n THR 22 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2b3w n THR 22 Cb 0.00 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 2b3w n THR 22 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2b3w n SER 23 N -0.86 0.00 -2.69 8.00 3.41 -1.26 -4.72 113.62 115.49 2b3w n SER 23 Ca 0.13 0.55 -0.02 0.00 -0.26 0.00 0.00 58.87 59.26 2b3w n SER 23 Cb 0.06 -0.05 0.03 0.00 -0.26 0.00 0.00 64.21 63.99 2b3w n SER 23 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2b3w s ASP 24 N -2.43 -0.34 0.00 4.04 -4.77 -1.26 -4.91 116.67 107.00 2b3w s ASP 24 Ca 0.00 -0.37 0.00 0.00 -3.30 0.00 0.00 52.55 48.88 2b3w s ASP 24 Cb 0.00 0.44 0.00 0.00 -1.09 0.00 0.00 42.92 42.27 2b3w s ASP 24 CO 0.00 -0.02 0.00 -0.90 0.70 0.00 0.00 175.17 174.95 2b3w n ASP 25 N 2.79 0.00 -0.01 2.11 5.75 -1.26 -4.99 116.55 120.93 2b3w n ASP 25 Ca 0.11 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.99 2b3w n ASP 25 Cb 0.64 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.59 2b3w n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2b3w n TYR 26 N 0.00 0.00 1.38 2.11 9.36 -1.26 -4.36 117.16 124.38 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 -0.27 0.66 0.00 -0.63 0.00 0.00 39.34 39.10 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 1.39 -0.73 0.00 2.98 0.00 -1.03 -3.40 105.19 104.41 2b3w n GLY 27 Ca -0.01 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.93 2b3w n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b3w n ASP 28 N -1.02 0.00 0.10 1.61 9.92 -1.26 -1.07 116.55 124.83 2b3w n ASP 28 Ca 0.16 -0.19 0.01 0.00 -0.53 0.00 0.00 54.79 54.25 2b3w n ASP 28 Cb 0.08 -0.08 0.35 0.00 -0.64 0.00 0.00 41.12 40.84 2b3w n ASP 28 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2b3w h PHE 29 N 0.00 0.28 -4.22 1.24 -1.00 -1.93 -3.44 116.94 107.87 2b3w h PHE 29 Ca 0.00 -0.04 -0.53 0.00 2.81 0.00 0.00 57.97 60.22 2b3w h PHE 29 Cb 0.02 -0.08 0.16 0.00 3.61 0.00 0.00 35.95 39.67 2b3w h PHE 29 CO 0.00 0.43 0.33 -1.12 -1.61 0.00 0.00 178.31 176.34 2b3w s SER 30 N -6.87 3.87 0.43 2.17 0.01 -0.23 -4.92 113.70 108.16 2b3w s SER 30 Ca -0.05 2.23 0.22 0.00 1.31 0.00 0.00 55.95 59.66 2b3w s SER 30 Cb 0.15 -2.57 0.91 0.00 0.21 0.00 0.00 66.02 64.72 2b3w s SER 30 CO 0.74 -2.48 1.83 -0.55 0.41 0.00 0.00 173.24 173.20 2b3w h ASN 31 N -0.88 0.00 0.19 2.44 -1.07 -1.89 -2.55 115.58 111.82 2b3w h ASN 31 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.91 2b3w h ASN 31 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 2b3w h ASN 31 CO 0.47 0.26 0.00 0.49 0.07 0.00 0.00 177.43 178.73 2b3w n PHE 32 N -3.49 0.00 -1.99 4.14 3.72 -1.26 -2.06 117.46 116.51 2b3w n PHE 32 Ca -0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 2b3w n PHE 32 Cb 0.43 -0.11 -0.02 0.00 -0.94 0.00 0.00 39.48 38.83 2b3w n PHE 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2b3w s ALA 33 N -2.23 3.62 -1.26 4.37 0.00 -0.96 -4.86 121.76 120.44 2b3w s ALA 33 Ca 0.33 1.36 -0.09 0.00 0.00 0.00 0.00 51.96 53.57 2b3w s ALA 33 Cb 0.18 -3.56 -0.13 0.00 0.00 0.00 0.00 23.12 19.61 2b3w s ALA 33 CO 0.34 -0.78 3.09 0.00 0.00 0.00 0.00 175.76 178.41 2b3w n ALA 34 N 1.96 7.26 -3.84 0.00 0.00 -1.26 -4.59 120.51 120.04 2b3w n ALA 34 Ca 0.06 -3.13 -0.34 0.00 0.00 0.00 0.00 53.44 50.03 2b3w n ALA 34 Cb 0.40 -3.14 -0.14 0.00 0.00 0.00 0.00 19.45 16.57 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 1.94 3.45 0.31 0.00 0.52 -1.24 -5.02 118.94 118.90 2b3w s TRP 35 Ca 0.69 -2.34 -0.29 0.00 0.02 0.00 0.00 56.10 54.17 2b3w s TRP 35 Cb 0.21 -2.51 -0.13 0.00 -1.15 0.00 0.00 33.47 29.89 2b3w s TRP 35 CO -0.05 -0.89 1.32 -2.30 0.02 0.00 0.00 176.95 175.06 2b3w n PRO 36 N 4.49 2.08 -5.01 4.98 -0.02 -1.17 -4.59 135.00 135.76 2b3w n PRO 36 Ca -0.07 0.73 -0.28 0.00 -2.02 0.00 0.00 63.50 61.87 2b3w n PRO 36 Cb 0.42 -2.34 -0.16 0.00 -0.02 0.00 0.00 33.50 31.41 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 -0.73 1.66 -0.45 4.25 -4.36 0.39 -4.90 121.20 117.07 2b3w s ILE 37 Ca 0.60 -0.87 -0.16 0.00 -0.26 0.00 0.00 60.65 59.96 2b3w s ILE 37 Cb -0.60 -1.40 0.04 0.00 1.25 0.00 0.00 42.46 41.76 2b3w s ILE 37 CO 0.58 0.47 0.40 -0.75 0.24 0.00 0.00 174.94 175.88 2b3w s LYS 38 N -0.26 3.02 -0.21 0.37 2.47 -1.26 -0.41 119.74 123.45 2b3w s LYS 38 Ca 0.02 -1.08 0.01 0.00 -1.56 0.00 0.00 55.97 53.37 2b3w s LYS 38 Cb -0.10 -4.05 0.05 0.00 -1.46 0.00 0.00 37.83 32.27 2b3w s LYS 38 CO 0.01 -0.93 -0.10 0.08 0.16 0.00 0.00 175.35 174.57 2b3w s VAL 39 N 1.87 1.72 -1.45 4.02 1.01 0.43 -4.81 120.40 123.19 2b3w s VAL 39 Ca 0.07 -1.14 -0.08 0.00 0.00 0.00 0.00 61.98 60.83 2b3w s VAL 39 Cb -0.21 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.39 2b3w s VAL 39 CO 0.10 0.10 0.71 0.47 0.00 0.00 0.00 175.10 176.48 2b3w n ASP 40 N 4.64 -5.15 0.00 3.32 8.00 -1.26 -1.50 116.55 124.60 2b3w n ASP 40 Ca -0.14 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 54.91 2b3w n ASP 40 Cb 0.45 -4.16 0.00 0.00 -0.02 0.00 0.00 41.12 37.39 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 -1.50 0.60 3.15 0.44 0.00 -1.26 -5.05 105.19 101.56 2b3w n GLY 41 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.80 1.01 -0.25 1.61 1.02 -0.56 -5.12 119.74 116.65 2b3w s LYS 42 Ca 0.00 -0.73 -0.12 0.00 0.02 0.00 0.00 55.97 55.13 2b3w s LYS 42 Cb 0.00 -1.03 -0.05 0.00 -0.52 0.00 0.00 37.83 36.24 2b3w s LYS 42 CO 0.00 0.26 0.24 0.99 -0.92 0.00 0.00 175.35 175.92 2b3w s THR 43 N -0.76 5.29 -0.10 2.17 2.01 -1.26 -0.43 115.64 122.56 2b3w s THR 43 Ca 0.03 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.34 2b3w s THR 43 Cb -0.08 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 2b3w s THR 43 CO 0.01 0.27 -0.10 0.26 -0.69 0.00 0.00 174.62 174.37 2b3w s TRP 44 N 1.47 2.86 0.22 4.92 0.52 0.46 -4.97 118.94 124.41 2b3w s TRP 44 Ca 0.10 -0.30 -0.09 0.00 0.02 0.00 0.00 56.10 55.83 2b3w s TRP 44 Cb -0.15 -1.79 0.17 0.00 -1.15 0.00 0.00 33.47 30.56 2b3w s TRP 44 CO 0.08 0.04 1.86 -1.35 0.02 0.00 0.00 176.95 177.60 2b3w h PRO 45 N 6.06 1.09 -4.43 4.98 0.11 -1.91 0.11 132.00 138.00 2b3w h PRO 45 Ca -0.37 -0.10 -0.35 0.00 0.11 0.00 0.00 66.00 65.30 2b3w h PRO 45 Cb 1.19 -0.23 -0.10 0.00 0.11 0.00 0.00 31.00 31.97 2b3w h PRO 45 CO 0.55 0.76 -0.32 0.95 -0.21 0.00 0.00 178.00 179.74 2b3w s THR 46 N -5.99 0.00 0.03 -1.15 -4.23 -1.26 -3.03 115.64 100.01 2b3w s THR 46 Ca -0.13 -1.76 -0.19 0.00 -1.18 0.00 0.00 61.69 58.43 2b3w s THR 46 Cb 0.16 -2.59 -0.20 0.00 1.34 0.00 0.00 72.50 71.21 2b3w s THR 46 CO 0.80 0.00 1.19 0.28 -0.54 0.00 0.00 174.62 176.35 2b3w h SER 47 N 2.13 0.56 0.87 3.99 0.02 -1.67 -3.23 113.55 116.23 2b3w h SER 47 Ca -0.27 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 2b3w h SER 47 Cb 1.24 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2b3w h SER 47 CO 0.38 1.15 0.00 -1.84 -1.14 0.00 0.00 176.83 175.38 2b3w n GLU 48 N -4.26 0.02 -0.03 3.45 0.00 -1.26 -1.77 120.64 116.79 2b3w n GLU 48 Ca -0.09 0.09 -0.13 0.00 0.00 0.00 0.00 57.16 57.04 2b3w n GLU 48 Cb 0.60 -1.52 -0.00 0.00 0.00 0.00 0.00 31.44 30.52 2b3w n GLU 48 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2b3w h HIS 49 N 0.00 0.89 -0.16 -1.84 3.86 -1.91 0.32 115.15 116.31 2b3w h HIS 49 Ca 0.00 -0.33 -0.16 0.00 -1.16 0.00 0.00 60.37 58.72 2b3w h HIS 49 Cb 0.44 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 2b3w h HIS 49 CO 0.00 1.12 -0.57 -0.92 0.86 0.00 0.00 177.93 178.42 2b3w h TYR 50 N 0.52 0.65 0.65 2.45 3.20 -1.48 -1.27 116.97 121.69 2b3w h TYR 50 Ca -0.00 -0.24 -0.03 0.00 3.14 0.00 0.00 58.73 61.60 2b3w h TYR 50 Cb 1.18 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 39.33 2b3w h TYR 50 CO 0.06 0.96 -0.32 0.35 -1.64 0.00 0.00 178.16 177.58 2b3w h PHE 51 N 0.39 -0.82 0.00 -3.82 3.57 -1.20 0.22 116.94 115.27 2b3w h PHE 51 Ca 0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2b3w h PHE 51 Cb 1.11 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 40.12 2b3w h PHE 51 CO 0.04 -0.51 -0.05 1.96 -2.23 0.00 0.00 178.31 177.52 2b3w h GLN 52 N -0.87 0.00 0.00 1.11 1.08 -0.37 -1.20 115.11 114.86 2b3w h GLN 52 Ca -0.09 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 2b3w h GLN 52 Cb 0.67 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 2b3w h GLN 52 CO 0.14 0.05 -0.11 0.00 -0.95 0.00 0.00 178.83 177.96 2b3w h ALA 53 N 1.95 0.01 0.00 3.87 0.00 -1.00 -3.26 119.26 120.83 2b3w h ALA 53 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2b3w h ALA 53 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2b3w h ALA 53 CO 0.01 -0.01 0.00 0.94 0.00 0.00 0.00 179.25 180.18 2b3w n GLN 54 N -4.61 0.19 -0.02 0.00 -0.06 0.04 -2.04 117.38 110.88 2b3w n GLN 54 Ca -0.10 0.43 0.03 0.00 -2.00 0.00 0.00 57.00 55.36 2b3w n GLN 54 Cb 0.45 -1.86 0.39 0.00 -4.06 0.00 0.00 30.24 25.15 2b3w n GLN 54 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 2b3w h LYS 55 N 0.00 0.58 -6.24 3.69 3.64 -1.27 -3.43 116.57 113.54 2b3w h LYS 55 Ca 0.00 -0.05 -0.56 0.00 -1.27 0.00 0.00 60.65 58.78 2b3w h LYS 55 Cb 0.34 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 31.96 2b3w h LYS 55 CO 0.00 0.42 -0.60 -0.06 -2.27 0.00 0.00 179.45 176.94 2b3w s PHE 56 N -5.45 2.93 -0.34 1.91 0.40 -0.87 -2.14 117.98 114.43 2b3w s PHE 56 Ca -0.08 -0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.18 2b3w s PHE 56 Cb 0.17 -1.36 0.50 0.00 0.51 0.00 0.00 43.02 42.85 2b3w s PHE 56 CO 0.74 0.55 1.50 1.47 0.70 0.00 0.00 175.22 180.18 2b3w n LEU 57 N -0.67 4.76 -3.75 -0.37 -0.00 -1.20 -4.88 117.00 110.89 2b3w n LEU 57 Ca -0.08 -4.00 -0.23 0.00 -0.00 0.00 0.00 56.01 51.69 2b3w n LEU 57 Cb 0.57 -0.64 -0.17 0.00 -0.00 0.00 0.00 43.42 43.18 2b3w n LEU 57 CO 0.41 1.43 -0.37 -0.62 -0.00 0.00 0.00 177.39 178.23 2b3w s ASP 58 N -2.59 1.74 0.24 1.45 2.15 -1.26 -5.02 116.67 113.38 2b3w s ASP 58 Ca 0.48 -0.18 0.21 0.00 0.43 0.00 0.00 52.55 53.49 2b3w s ASP 58 Cb 0.42 -0.42 0.96 0.00 -0.30 0.00 0.00 42.92 43.58 2b3w s ASP 58 CO 0.01 -0.22 1.63 -0.62 -0.17 0.00 0.00 175.17 175.80 2b3w n GLU 59 N 5.16 0.15 0.07 4.34 -0.58 -1.26 -1.08 120.64 127.44 2b3w n GLU 59 Ca -0.07 0.49 -0.10 0.00 -0.42 0.00 0.00 57.16 57.06 2b3w n GLU 59 Cb 0.50 -1.85 -0.07 0.00 -0.57 0.00 0.00 31.44 29.44 2b3w n GLU 59 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2b3w h LYS 60 N 0.00 -0.25 0.00 3.49 1.57 -1.98 -0.09 116.57 119.32 2b3w h LYS 60 Ca 0.00 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 2b3w h LYS 60 Cb 0.21 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2b3w h LYS 60 CO 0.00 0.15 -0.35 -0.92 -0.57 0.00 0.00 179.45 177.76 2b3w h TYR 61 N -0.89 0.00 0.00 -1.35 3.20 -1.95 -2.13 116.97 113.85 2b3w h TYR 61 Ca -0.03 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 2b3w h TYR 61 Cb 0.51 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 2b3w h TYR 61 CO 0.07 0.35 -0.42 0.00 -1.64 0.00 0.00 178.16 176.52 2b3w h ARG 62 N 0.00 0.00 -0.09 1.82 3.08 -1.14 -0.31 114.38 117.74 2b3w h ARG 62 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 2b3w h ARG 62 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2b3w h ARG 62 CO 0.05 0.42 -0.47 1.49 -1.07 0.00 0.00 179.97 180.38 2b3w h GLU 63 N 0.00 0.22 -0.64 0.04 4.81 -0.38 -0.90 114.58 117.74 2b3w h GLU 63 Ca -0.00 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 2b3w h GLU 63 Cb 0.90 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 2b3w h GLU 63 CO 0.05 0.65 0.12 1.49 -0.73 0.00 0.00 179.01 180.60 2b3w h GLU 64 N 0.18 1.05 0.00 1.92 4.57 -0.72 0.27 114.58 121.85 2b3w h GLU 64 Ca 0.01 -0.27 -0.05 0.00 -1.18 0.00 0.00 59.36 57.86 2b3w h GLU 64 Cb 0.91 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 2b3w h GLU 64 CO 0.07 0.97 -0.25 0.82 -1.18 0.00 0.00 179.01 179.44 2b3w h ILE 65 N 0.97 1.16 0.00 2.32 1.08 -0.83 0.35 117.51 122.56 2b3w h ILE 65 Ca 0.20 -0.87 -0.15 0.00 -0.39 0.00 0.00 64.86 63.65 2b3w h ILE 65 Cb 0.41 1.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 2b3w h ILE 65 CO 0.01 0.25 -0.70 -0.09 -0.69 0.00 0.00 178.15 176.93 2b3w h ARG 66 N 0.00 0.00 0.00 2.37 2.43 -0.42 -3.26 114.38 115.50 2b3w h ARG 66 Ca -0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.98 2b3w h ARG 66 Cb 0.45 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2b3w h ARG 66 CO 0.03 0.70 -0.92 -0.09 -1.51 0.00 0.00 179.97 178.18 2b3w h ARG 67 N 0.00 0.00 -6.07 0.20 9.65 0.83 -3.42 114.38 115.58 2b3w h ARG 67 Ca -0.01 0.00 -0.51 0.00 -1.10 0.00 0.00 59.98 58.36 2b3w h ARG 67 Cb 1.26 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.81 2b3w h ARG 67 CO 0.09 0.80 1.31 0.54 2.80 0.00 0.00 179.97 185.51 2b3w s VAL 68 N -2.78 3.43 0.04 0.20 0.11 -0.01 -4.81 120.40 116.57 2b3w s VAL 68 Ca 0.01 0.28 0.16 0.00 -2.93 0.00 0.00 61.98 59.50 2b3w s VAL 68 Cb 0.09 -4.02 0.07 0.00 -1.53 0.00 0.00 36.38 30.99 2b3w s VAL 68 CO 0.80 -0.95 1.57 0.28 -3.33 0.00 0.00 175.10 173.47 2b3w h SER 69 N 14.12 0.00 -3.51 3.54 0.02 -1.88 -3.44 113.55 122.41 2b3w h SER 69 Ca -0.27 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.16 2b3w h SER 69 Cb 1.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 2b3w h SER 69 CO 1.20 0.50 0.39 -0.44 -1.14 0.00 0.00 176.83 177.34 2b3w s SER 70 N -6.48 7.41 0.02 3.07 0.01 -1.26 -5.00 113.70 111.46 2b3w s SER 70 Ca 0.02 1.82 -0.14 0.00 1.31 0.00 0.00 55.95 58.96 2b3w s SER 70 Cb 0.10 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.66 2b3w s SER 70 CO 0.72 -0.16 1.10 -0.65 0.41 0.00 0.00 173.24 174.67 2b3w h PRO 71 N 5.86 -0.48 0.00 12.44 0.11 -1.96 -3.19 132.00 144.77 2b3w h PRO 71 Ca -0.43 0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 2b3w h PRO 71 Cb 1.21 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 2b3w h PRO 71 CO 0.73 -0.32 -0.29 1.98 -0.21 0.00 0.00 178.00 179.89 2b3w h MET 72 N -0.54 0.00 0.00 1.05 1.85 -1.97 -2.05 114.93 113.27 2b3w h MET 72 Ca -0.05 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.01 2b3w h MET 72 Cb 0.38 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.41 2b3w h MET 72 CO 0.08 0.29 -0.12 0.28 -0.40 0.00 0.00 176.91 177.04 2b3w h VAL 73 N 0.00 0.98 -0.30 -5.77 2.07 -1.98 -1.18 116.25 110.06 2b3w h VAL 73 Ca -0.00 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2b3w h VAL 73 Cb 0.67 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2b3w h VAL 73 CO 0.04 0.12 0.15 0.00 0.02 0.00 0.00 177.57 177.90 2b3w h ALA 74 N 1.88 0.37 -0.01 1.67 0.00 -1.35 -0.01 119.26 121.80 2b3w h ALA 74 Ca -0.00 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2b3w h ALA 74 Cb 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2b3w h ALA 74 CO 0.02 -0.23 -0.71 0.00 0.00 0.00 0.00 179.25 178.33 2b3w h ALA 75 N 1.15 0.82 -0.07 0.00 0.00 -1.59 0.37 119.26 119.93 2b3w h ALA 75 Ca 0.12 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2b3w h ALA 75 Cb 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2b3w h ALA 75 CO -0.08 0.86 0.03 -0.09 0.00 0.00 0.00 179.25 179.98 2b3w h ARG 76 N 0.03 0.11 0.00 0.00 1.12 -0.54 0.17 114.38 115.26 2b3w h ARG 76 Ca -0.01 -0.02 -0.09 0.00 -1.11 0.00 0.00 59.98 58.75 2b3w h ARG 76 Cb 1.25 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.18 2b3w h ARG 76 CO 0.10 0.23 -0.41 0.00 -3.11 0.00 0.00 179.97 176.77 2b3w h MET 77 N -0.04 0.00 0.00 0.20 -0.00 -1.06 -2.89 114.93 111.13 2b3w h MET 77 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.72 2b3w h MET 77 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.76 2b3w h MET 77 CO -0.00 0.41 0.00 0.41 -0.00 0.00 0.00 176.91 177.73 2b3w n GLY 78 N 0.91 -0.95 0.26 -3.00 0.00 0.12 -2.22 105.19 100.31 2b3w n GLY 78 Ca 0.02 -0.15 0.17 0.00 0.00 0.00 0.00 46.02 46.06 2b3w n GLY 78 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2b3w h ARG 79 N 0.00 0.00 -6.68 1.61 2.47 -0.46 -3.45 114.38 107.88 2b3w h ARG 79 Ca 0.00 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.20 2b3w h ARG 79 Cb 0.09 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.44 2b3w h ARG 79 CO 0.00 0.00 0.67 0.34 0.56 0.00 0.00 179.97 181.54 2b3w s ASP 80 N -5.22 6.86 -0.11 7.04 2.15 -0.94 -4.92 116.67 121.53 2b3w s ASP 80 Ca 0.00 2.43 0.15 0.00 0.43 0.00 0.00 52.55 55.56 2b3w s ASP 80 Cb 0.10 -2.61 0.28 0.00 -0.30 0.00 0.00 42.92 40.39 2b3w s ASP 80 CO 0.46 -0.56 1.17 -1.14 -0.17 0.00 0.00 175.17 174.94 2b3w n ARG 81 N 2.70 1.90 -0.01 4.34 0.63 -1.26 -4.40 116.66 120.56 2b3w n ARG 81 Ca 0.07 -2.42 0.12 0.00 -0.92 0.00 0.00 57.85 54.70 2b3w n ARG 81 Cb 0.42 -1.46 0.18 0.00 0.45 0.00 0.00 32.46 32.06 2b3w n ARG 81 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2b3w n SER 82 N -1.05 2.76 -4.92 6.15 3.41 -1.26 -4.89 113.62 113.82 2b3w n SER 82 Ca 0.14 -1.91 -0.29 0.00 -0.26 0.00 0.00 58.87 56.55 2b3w n SER 82 Cb 0.61 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 2b3w n SER 82 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2b3w s LYS 83 N -1.96 3.56 -0.56 4.33 -0.14 -1.26 -5.03 119.74 118.68 2b3w s LYS 83 Ca 0.30 -0.22 -0.27 0.00 -1.36 0.00 0.00 55.97 54.42 2b3w s LYS 83 Cb 0.20 -2.81 0.00 0.00 -1.68 0.00 0.00 37.83 33.54 2b3w s LYS 83 CO 0.31 0.39 1.58 -1.25 -0.76 0.00 0.00 175.35 175.62 2b3w s PRO 84 N -3.17 3.10 0.41 -1.68 0.04 -1.26 -4.98 135.00 127.47 2b3w s PRO 84 Ca 0.40 0.57 0.08 0.00 0.04 0.00 0.00 61.00 62.08 2b3w s PRO 84 Cb -0.11 -4.21 -0.03 0.00 0.04 0.00 0.00 34.50 30.18 2b3w s PRO 84 CO 0.28 -2.17 0.30 -0.48 0.04 0.00 0.00 177.00 174.96 2b3w s LEU 85 N 7.00 3.29 0.00 -3.56 0.05 -1.26 -3.21 118.68 120.99 2b3w s LEU 85 Ca 0.59 -0.87 -0.24 0.00 0.05 0.00 0.00 54.13 53.66 2b3w s LEU 85 Cb -0.13 -1.81 -0.05 0.00 -2.05 0.00 0.00 46.19 42.15 2b3w s LEU 85 CO 0.24 -0.60 0.71 -0.13 -0.55 0.00 0.00 176.35 176.02 2b3w s ARG 86 N -4.04 4.44 0.25 1.48 0.52 -0.91 -4.84 118.95 115.86 2b3w s ARG 86 Ca 0.45 0.95 0.04 0.00 -0.52 0.00 0.00 55.73 56.64 2b3w s ARG 86 Cb -0.00 -3.38 0.30 0.00 0.52 0.00 0.00 34.95 32.38 2b3w s ARG 86 CO 0.26 0.23 1.60 -0.22 0.02 0.00 0.00 175.30 177.19 2b3w h LYS 87 N 6.00 0.31 -0.20 3.54 3.64 -1.99 -2.48 116.57 125.38 2b3w h LYS 87 Ca -0.43 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 2b3w h LYS 87 Cb 1.20 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2b3w h LYS 87 CO 0.72 0.75 0.00 0.09 -2.27 0.00 0.00 179.45 178.74 2b3w n ASN 88 N -3.95 1.08 -0.02 4.20 4.13 -1.26 -3.84 115.26 115.59 2b3w n ASN 88 Ca -0.02 -2.00 0.20 0.00 1.68 0.00 0.00 54.58 54.44 2b3w n ASN 88 Cb 0.56 -0.13 0.67 0.00 -1.54 0.00 0.00 39.78 39.34 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 1.18 0.05 -0.72 3.10 2.91 -1.81 0.33 115.95 120.99 2b3w h TRP 89 Ca 0.00 0.00 0.17 0.00 1.13 0.00 0.00 58.89 60.20 2b3w h TRP 89 Cb 0.27 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.86 2b3w h TRP 89 CO 0.13 0.02 0.49 1.05 -1.03 0.00 0.00 178.44 179.11 2b3w h GLU 90 N 0.04 0.20 0.00 2.65 4.11 -1.82 -1.25 114.58 118.51 2b3w h GLU 90 Ca 0.27 -0.01 -0.43 0.00 0.07 0.00 0.00 59.36 59.26 2b3w h GLU 90 Cb 1.03 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 2b3w h GLU 90 CO -0.01 0.13 -2.51 0.43 0.07 0.00 0.00 179.01 177.12 2b3w n SER 91 N -4.42 1.97 0.03 3.06 7.64 0.03 -4.51 113.62 117.42 2b3w n SER 91 Ca 0.14 0.13 0.11 0.00 1.01 0.00 0.00 58.87 60.26 2b3w n SER 91 Cb 0.64 -0.64 0.46 0.00 -1.01 0.00 0.00 64.21 63.66 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 -3.80 0.56 0.23 0.44 0.24 -0.72 -2.70 118.33 112.58 2b3w n VAL 92 Ca -0.51 0.09 0.06 0.00 -2.04 0.00 0.00 64.34 61.94 2b3w n VAL 92 Cb 0.93 -0.79 0.54 0.00 -1.47 0.00 0.00 33.84 33.06 2b3w n VAL 92 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2b3w h LYS 93 N 0.00 0.00 -0.49 7.34 2.10 -1.46 0.11 116.57 124.17 2b3w h LYS 93 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 2b3w h LYS 93 Cb 0.42 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 2b3w h LYS 93 CO 0.00 0.16 -0.21 0.93 -2.00 0.00 0.00 179.45 178.32 2b3w h GLU 94 N 0.00 1.00 -0.21 0.07 4.39 -1.78 -2.33 114.58 115.72 2b3w h GLU 94 Ca -0.00 -0.43 -0.16 0.00 0.34 0.00 0.00 59.36 59.11 2b3w h GLU 94 Cb 0.28 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2b3w h GLU 94 CO 0.02 1.11 -0.51 0.37 -1.16 0.00 0.00 179.01 178.84 2b3w h GLN 95 N 0.86 0.72 -0.73 2.33 4.15 -1.41 -2.63 115.11 118.40 2b3w h GLN 95 Ca 0.11 -0.49 -0.06 0.00 0.77 0.00 0.00 58.65 58.98 2b3w h GLN 95 Cb 0.79 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.52 2b3w h GLN 95 CO 0.07 1.11 0.24 0.28 -1.93 0.00 0.00 178.83 178.60 2b3w h VAL 96 N 0.44 1.26 -0.33 2.39 2.07 -0.81 0.17 116.25 121.43 2b3w h VAL 96 Ca -0.00 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 2b3w h VAL 96 Cb 1.12 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2b3w h VAL 96 CO 0.11 0.35 0.15 0.24 0.02 0.00 0.00 177.57 178.45 2b3w h MET 97 N 1.09 0.48 -0.20 1.57 2.86 -1.42 0.03 114.93 119.34 2b3w h MET 97 Ca 0.24 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 2b3w h MET 97 Cb 0.29 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2b3w h MET 97 CO -0.01 0.44 -0.07 -0.09 1.06 0.00 0.00 176.91 178.24 2b3w h ARG 98 N 0.39 0.30 0.03 1.72 2.43 -1.06 0.23 114.38 118.42 2b3w h ARG 98 Ca 0.11 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2b3w h ARG 98 Cb 0.13 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2b3w h ARG 98 CO -0.01 0.39 -0.01 -0.22 -1.51 0.00 0.00 179.97 178.61 2b3w h LYS 99 N 0.29 -0.04 -0.45 0.20 1.63 -0.19 0.05 116.57 118.07 2b3w h LYS 99 Ca 0.06 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.79 2b3w h LYS 99 Cb 0.32 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 2b3w h LYS 99 CO 0.01 0.17 -0.03 0.00 -3.45 0.00 0.00 179.45 176.15 2b3w h ALA 100 N 0.73 0.62 -0.43 5.00 0.00 -0.55 -2.54 119.26 122.09 2b3w h ALA 100 Ca -0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2b3w h ALA 100 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2b3w h ALA 100 CO 0.01 0.44 0.07 -0.07 0.00 0.00 0.00 179.25 179.70 2b3w h LEU 101 N 0.67 0.61 0.31 0.00 3.38 -0.55 0.63 115.31 120.36 2b3w h LEU 101 Ca 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2b3w h LEU 101 Cb 0.54 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2b3w h LEU 101 CO 0.03 0.63 -0.20 -0.09 0.09 0.00 0.00 178.44 178.90 2b3w h ARG 102 N 0.63 -0.48 -0.71 1.13 2.43 -0.69 -1.96 114.38 114.73 2b3w h ARG 102 Ca 0.14 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2b3w h ARG 102 Cb 0.29 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2b3w h ARG 102 CO 0.00 -0.32 0.41 0.00 -1.51 0.00 0.00 179.97 178.56 2b3w h ALA 103 N 0.17 1.39 -0.11 2.80 0.00 -1.20 -0.67 119.26 121.64 2b3w h ALA 103 Ca -0.03 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2b3w h ALA 103 Cb 0.41 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2b3w h ALA 103 CO 0.03 0.52 -0.27 -0.22 0.00 0.00 0.00 179.25 179.31 2b3w h LYS 104 N 0.99 -0.33 -0.00 0.00 3.64 -0.41 0.40 116.57 120.85 2b3w h LYS 104 Ca 0.26 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2b3w h LYS 104 Cb -0.02 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2b3w h LYS 104 CO -0.05 -0.22 -0.27 1.19 -2.27 0.00 0.00 179.45 177.83 2b3w n PHE 105 N -5.38 0.00 -0.04 1.91 3.72 -0.78 -2.68 117.46 114.21 2b3w n PHE 105 Ca -0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.24 2b3w n PHE 105 Cb 0.30 -0.28 -0.14 0.00 -0.94 0.00 0.00 39.48 38.41 2b3w n PHE 105 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2b3w n GLU 106 N -1.30 0.67 0.07 -1.08 1.02 -0.28 -3.97 120.64 115.79 2b3w n GLU 106 Ca 0.08 0.23 -0.08 0.00 -0.02 0.00 0.00 57.16 57.37 2b3w n GLU 106 Cb 0.33 -1.71 -0.09 0.00 -0.02 0.00 0.00 31.44 29.94 2b3w n GLU 106 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2b3w h GLN 107 N 0.02 0.05 -4.63 3.49 1.08 -0.29 -3.41 115.11 111.42 2b3w h GLN 107 Ca -0.38 -0.08 -0.68 0.00 -1.45 0.00 0.00 58.65 56.05 2b3w h GLN 107 Cb 2.05 0.03 -0.35 0.00 -0.05 0.00 0.00 27.48 29.16 2b3w h GLN 107 CO 0.06 1.00 -0.64 -1.01 -0.95 0.00 0.00 178.83 177.29 2b3w s HIS 108 N -2.80 3.52 0.39 2.96 3.76 -1.09 -4.93 115.29 117.09 2b3w s HIS 108 Ca -0.00 -2.37 0.28 0.00 -0.15 0.00 0.00 55.06 52.81 2b3w s HIS 108 Cb 0.10 -2.78 1.45 0.00 1.11 0.00 0.00 32.58 32.45 2b3w s HIS 108 CO 0.83 -0.91 2.06 0.00 -0.85 0.00 0.00 174.74 175.87 2b3w h ALA 109 N 7.93 1.25 -0.08 -1.40 0.00 -1.81 -0.56 119.26 124.59 2b3w h ALA 109 Ca -0.14 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2b3w h ALA 109 Cb 1.05 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2b3w h ALA 109 CO 0.60 0.15 -0.37 0.93 0.00 0.00 0.00 179.25 180.56 2b3w h GLU 110 N 0.00 -0.46 -0.02 0.00 3.07 -1.92 -1.99 114.58 113.26 2b3w h GLU 110 Ca -0.00 0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 58.73 2b3w h GLU 110 Cb 0.35 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 2b3w h GLU 110 CO 0.02 -0.30 -0.74 -0.07 -1.40 0.00 0.00 179.01 176.51 2b3w h LEU 111 N -0.47 0.16 0.05 1.33 3.38 -1.73 -2.56 115.31 115.46 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 0.59 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 2b3w h LEU 111 CO -0.34 0.83 -0.50 -0.09 0.09 0.00 0.00 178.44 178.43 2b3w h ARG 112 N 0.08 -0.65 -0.13 1.13 9.65 -0.76 0.25 114.38 123.96 2b3w h ARG 112 Ca -0.02 0.04 -0.15 0.00 -1.10 0.00 0.00 59.98 58.76 2b3w h ARG 112 Cb 1.30 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 30.02 2b3w h ARG 112 CO 0.11 -0.43 -0.55 0.00 2.80 0.00 0.00 179.97 181.90 2b3w h ALA 113 N -0.54 0.81 -0.87 2.80 0.00 -1.42 -2.27 119.26 117.77 2b3w h ALA 113 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2b3w h ALA 113 Cb 0.70 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2b3w h ALA 113 CO -0.31 0.69 0.45 1.25 0.00 0.00 0.00 179.25 181.34 2b3w h LEU 114 N 0.30 1.11 -0.02 0.00 5.85 -1.18 -2.17 115.31 119.20 2b3w h LEU 114 Ca 0.00 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2b3w h LEU 114 Cb 1.06 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2b3w h LEU 114 CO 0.09 0.91 -0.01 0.25 -0.34 0.00 0.00 178.44 179.34 2b3w h LEU 115 N 1.22 0.05 -2.06 2.25 5.85 -0.32 -3.21 115.31 119.08 2b3w h LEU 115 Ca 0.30 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2b3w h LEU 115 Cb 0.06 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 2b3w h LEU 115 CO -0.04 0.42 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.31 2b3w h LEU 116 N -0.33 0.00 0.00 2.25 3.38 -1.24 -1.50 115.31 117.87 2b3w h LEU 116 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2b3w h LEU 116 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2b3w h LEU 116 CO 0.00 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.62 2b3w n ALA 117 N -2.29 2.07 0.54 1.53 0.00 -0.83 -2.65 120.51 118.88 2b3w n ALA 117 Ca -0.02 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2b3w n ALA 117 Cb 0.20 -1.35 0.20 0.00 0.00 0.00 0.00 19.45 18.49 2b3w n ALA 117 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2b3w h THR 118 N 0.00 0.00 -3.26 0.00 1.35 -1.39 -3.42 112.91 106.19 2b3w h THR 118 Ca 0.00 -0.54 -0.57 0.00 -0.55 0.00 0.00 66.41 64.75 2b3w h THR 118 Cb 0.26 1.20 0.12 0.00 -1.73 0.00 0.00 68.15 68.00 2b3w h THR 118 CO 0.00 0.00 0.38 0.00 -0.25 0.00 0.00 175.52 175.65 2b3w n ALA 119 N -1.85 0.89 -1.48 6.62 0.00 -1.08 -0.58 120.51 123.02 2b3w n ALA 119 Ca 0.03 0.30 -0.35 0.00 0.00 0.00 0.00 53.44 53.42 2b3w n ALA 119 Cb 0.45 -2.20 0.07 0.00 0.00 0.00 0.00 19.45 17.77 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 0.28 2.76 -1.40 0.00 -0.04 -1.26 -4.35 135.00 130.97 2b3w n PRO 120 Ca 0.07 -3.39 -0.29 0.00 -0.04 0.00 0.00 63.50 59.85 2b3w n PRO 120 Cb 0.38 -2.29 0.13 0.00 -0.04 0.00 0.00 33.50 31.68 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 -3.86 1.75 -0.28 0.55 0.00 0.25 -4.63 121.76 115.54 2b3w s ALA 121 Ca 0.62 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 2b3w s ALA 121 Cb 0.49 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 2b3w s ALA 121 CO -0.08 -2.20 0.18 0.21 0.00 0.00 0.00 175.76 173.87 2b3w s LYS 122 N -5.10 3.84 -0.16 0.00 2.20 0.27 -4.91 119.74 115.88 2b3w s LYS 122 Ca 0.63 -0.39 -0.21 0.00 -0.36 0.00 0.00 55.97 55.64 2b3w s LYS 122 Cb -0.16 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 2b3w s LYS 122 CO 0.55 -0.22 0.64 -0.51 -0.36 0.00 0.00 175.35 175.45 2b3w s LEU 123 N 1.73 4.19 -0.03 5.43 1.43 -1.26 -0.72 118.68 129.45 2b3w s LEU 123 Ca 0.07 0.92 0.02 0.00 -1.03 0.00 0.00 54.13 54.10 2b3w s LEU 123 Cb -0.16 -2.92 0.01 0.00 0.03 0.00 0.00 46.19 43.15 2b3w s LEU 123 CO 0.10 -0.22 -0.06 -0.69 0.23 0.00 0.00 176.35 175.71 2b3w s VAL 124 N 1.59 0.55 0.17 -1.59 1.01 0.01 -4.22 120.40 117.92 2b3w s VAL 124 Ca 0.31 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 2b3w s VAL 124 Cb -0.16 -0.53 -0.07 0.00 0.00 0.00 0.00 36.38 35.62 2b3w s VAL 124 CO 0.12 0.20 0.91 -0.70 0.00 0.00 0.00 175.10 175.62 2b3w s GLU 125 N 0.44 4.73 -0.55 2.72 -6.30 -1.26 -1.60 118.70 116.88 2b3w s GLU 125 Ca -0.06 1.39 0.04 0.00 -2.50 0.00 0.00 54.97 53.85 2b3w s GLU 125 Cb -0.10 -3.32 0.17 0.00 0.00 0.00 0.00 34.13 30.89 2b3w s GLU 125 CO 0.00 0.40 0.42 1.58 0.02 0.00 0.00 175.26 177.68 2b3w n HIS 126 N 2.07 1.00 -2.45 5.30 -0.00 -1.25 -2.22 115.22 117.68 2b3w n HIS 126 Ca -0.01 -3.77 -0.26 0.00 0.46 0.00 0.00 57.72 54.14 2b3w n HIS 126 Cb 0.48 -0.15 0.04 0.00 -0.12 0.00 0.00 29.99 30.24 2b3w n HIS 126 CO 0.00 0.00 0.00 -0.08 0.46 0.00 0.00 176.34 176.72 2b3w s THR 127 N -0.66 3.34 -0.39 3.57 -1.32 -1.24 -4.75 115.64 114.19 2b3w s THR 127 Ca 0.29 -0.17 0.09 0.00 -1.21 0.00 0.00 61.69 60.69 2b3w s THR 127 Cb 0.00 -3.33 0.27 0.00 -1.51 0.00 0.00 72.50 67.94 2b3w s THR 127 CO -0.19 -0.32 0.57 1.21 -2.21 0.00 0.00 174.62 173.69 2b3w n GLU 128 N -2.57 0.77 0.00 7.08 2.13 -1.26 -2.98 120.64 123.81 2b3w n GLU 128 Ca 0.05 -3.24 0.00 0.00 0.66 0.00 0.00 57.16 54.63 2b3w n GLU 128 Cb 0.58 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.97 2b3w n GLU 128 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2b3w n ASN 129 N 1.16 0.00 -4.32 4.31 6.94 -1.26 -4.97 115.26 117.12 2b3w n ASN 129 Ca 0.22 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.48 2b3w n ASN 129 Cb 0.56 0.21 -0.07 0.00 -2.36 0.00 0.00 39.78 38.12 2b3w n ASN 129 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2b3w n ASP 130 N -1.88 2.22 -3.83 0.53 9.92 -1.26 -5.02 116.55 117.24 2b3w n ASP 130 Ca 0.00 -3.28 -0.29 0.00 -0.53 0.00 0.00 54.79 50.69 2b3w n ASP 130 Cb 0.00 0.76 -0.13 0.00 -0.64 0.00 0.00 41.12 41.11 2b3w n ASP 130 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2b3w s ALA 131 N -3.04 3.01 -0.26 2.24 0.00 -1.26 -3.22 121.76 119.23 2b3w s ALA 131 Ca 0.12 -3.20 -0.15 0.00 0.00 0.00 0.00 51.96 48.72 2b3w s ALA 131 Cb 0.01 -2.05 -0.14 0.00 0.00 0.00 0.00 23.12 20.94 2b3w s ALA 131 CO 0.08 -2.05 -0.20 0.98 0.00 0.00 0.00 175.76 174.57 2b3w n TYR 132 N 2.85 0.27 -2.26 0.00 9.36 -1.26 -4.47 117.16 121.65 2b3w n TYR 132 Ca 0.12 0.11 0.02 0.00 3.32 0.00 0.00 57.90 61.48 2b3w n TYR 132 Cb 0.35 -1.03 0.01 0.00 -0.63 0.00 0.00 39.34 38.04 2b3w n TYR 132 CO 0.00 0.00 0.00 0.91 0.22 0.00 0.00 176.86 177.99 2b3w n TRP 133 N -4.25 0.00 0.00 2.98 7.02 -1.25 -4.90 117.44 117.03 2b3w n TRP 133 Ca -0.49 -0.26 0.00 0.00 -1.02 0.00 0.00 57.50 55.73 2b3w n TRP 133 Cb 0.84 -0.10 0.00 0.00 -2.42 0.00 0.00 31.31 29.63 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 0.26 -1.64 3.61 6.99 0.00 -0.26 -3.65 105.19 110.50 2b3w n GLY 134 Ca 0.03 0.57 -0.10 0.00 0.00 0.00 0.00 46.02 46.53 2b3w n GLY 134 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b3w s ASP 135 N 2.00 -0.44 -0.30 1.61 2.15 -0.94 -1.34 116.67 119.42 2b3w s ASP 135 Ca 0.00 -0.26 0.09 0.00 0.43 0.00 0.00 52.55 52.81 2b3w s ASP 135 Cb 0.00 0.65 0.70 0.00 -0.30 0.00 0.00 42.92 43.97 2b3w s ASP 135 CO 0.00 -1.13 1.74 0.61 -0.17 0.00 0.00 175.17 176.22 2b3w n GLY 136 N -0.41 3.46 2.11 2.66 0.00 -1.20 -3.69 105.19 108.12 2b3w n GLY 136 Ca -0.11 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.08 0.41 0.00 -0.02 0.00 -1.16 -4.41 105.19 99.94 2b3w n GLY 137 Ca 0.38 -0.47 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 -3.44 0.00 -0.02 1.61 -0.00 -1.26 -5.09 115.22 107.02 2b3w n HIS 138 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 2b3w n HIS 138 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 2b3w n HIS 138 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2b3w n GLY 139 N 0.19 0.76 0.00 -1.39 0.00 -1.26 -5.06 105.19 98.43 2b3w n GLY 139 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.02 0.00 0.05 1.61 4.81 -1.26 -5.11 118.16 118.24 2b3w n LYS 140 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2b3w n LYS 140 Cb 0.01 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.06 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 0.00 -0.15 2.65 3.14 0.00 -1.26 -4.88 105.19 104.69 2b3w n GLY 141 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.99 0.09 0.00 1.61 4.81 -0.95 -4.95 118.16 115.77 2b3w n LYS 142 Ca 0.00 -0.60 0.03 0.00 -0.87 0.00 0.00 58.31 56.88 2b3w n LYS 142 Cb 0.00 -0.02 0.21 0.00 0.02 0.00 0.00 35.03 35.24 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 -0.30 0.00 0.31 3.14 4.05 -0.45 -1.11 115.26 120.91 2b3w n ASN 143 Ca -0.25 -0.71 0.19 0.00 0.45 0.00 0.00 54.58 54.26 2b3w n ASN 143 Cb 0.66 0.00 1.02 0.00 1.23 0.00 0.00 39.78 42.69 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 -0.37 1.20 2.43 -1.86 0.80 114.38 116.59 2b3w h ARG 144 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2b3w h ARG 144 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2b3w h ARG 144 CO 0.00 0.00 0.04 1.25 -1.51 0.00 0.00 179.97 179.75 2b3w h LEU 145 N 0.00 0.60 -1.20 3.80 5.85 -1.67 0.64 115.31 123.33 2b3w h LEU 145 Ca 0.02 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 2b3w h LEU 145 Cb 0.27 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2b3w h LEU 145 CO -0.00 0.72 -0.25 1.23 -0.34 0.00 0.00 178.44 179.80 2b3w h GLY 146 N 0.45 0.25 1.03 3.75 0.00 -1.04 -0.62 103.07 106.89 2b3w h GLY 146 Ca 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 2b3w h GLY 146 CO 0.01 0.17 0.44 -1.82 0.00 0.00 0.00 176.54 175.35 2b3w h TYR 147 N 0.21 1.17 -0.35 5.60 3.20 -0.80 0.45 116.97 126.46 2b3w h TYR 147 Ca 0.03 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 2b3w h TYR 147 Cb 0.57 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 2b3w h TYR 147 CO 0.01 0.83 0.12 -0.07 -1.64 0.00 0.00 178.16 177.41 2b3w h LEU 148 N 1.18 0.50 -0.36 2.82 3.38 -0.28 -2.17 115.31 120.38 2b3w h LEU 148 Ca 0.29 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2b3w h LEU 148 Cb 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2b3w h LEU 148 CO -0.04 0.55 0.21 -0.07 0.09 0.00 0.00 178.44 179.18 2b3w h LEU 149 N 0.41 0.43 -0.46 1.67 3.38 -0.56 -1.22 115.31 118.95 2b3w h LEU 149 Ca 0.11 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2b3w h LEU 149 Cb 0.23 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2b3w h LEU 149 CO -0.01 0.36 0.10 0.24 0.09 0.00 0.00 178.44 179.23 2b3w h MET 150 N 0.46 0.75 -0.39 1.13 2.86 -0.05 0.40 114.93 120.09 2b3w h MET 150 Ca 0.13 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2b3w h MET 150 Cb 0.02 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2b3w h MET 150 CO -0.02 0.75 0.13 0.93 1.06 0.00 0.00 176.91 179.77 2b3w h GLU 151 N 0.63 0.60 -0.51 1.72 5.08 -1.33 0.35 114.58 121.11 2b3w h GLU 151 Ca 0.14 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2b3w h GLU 151 Cb 0.35 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2b3w h GLU 151 CO 0.00 0.59 0.31 1.25 -1.00 0.00 0.00 179.01 180.16 2b3w h LEU 152 N 0.48 0.50 -0.70 1.33 5.85 -0.95 0.43 115.31 122.26 2b3w h LEU 152 Ca 0.13 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.89 2b3w h LEU 152 Cb 0.23 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 2b3w h LEU 152 CO -0.01 0.36 0.42 -0.09 -0.34 0.00 0.00 178.44 178.78 2b3w h ARG 153 N 0.62 0.77 -0.71 1.25 2.43 0.06 0.18 114.38 118.97 2b3w h ARG 153 Ca 0.21 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2b3w h ARG 153 Cb 0.01 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 2b3w h ARG 153 CO -0.09 0.51 0.25 0.93 -1.51 0.00 0.00 179.97 180.06 2b3w h GLU 154 N 0.80 1.09 -0.54 0.20 3.07 -0.29 -0.76 114.58 118.14 2b3w h GLU 154 Ca 0.29 -0.22 -0.08 0.00 -0.50 0.00 0.00 59.36 58.85 2b3w h GLU 154 Cb 0.09 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 2b3w h GLU 154 CO -0.14 0.92 0.03 1.96 -1.40 0.00 0.00 179.01 180.38 2b3w h GLN 155 N 1.04 0.94 -0.39 2.33 1.08 -0.14 -1.72 115.11 118.24 2b3w h GLN 155 Ca 0.23 -0.28 -0.09 0.00 -1.45 0.00 0.00 58.65 57.06 2b3w h GLN 155 Cb 0.27 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 2b3w h GLN 155 CO -0.01 0.94 -0.11 -0.07 -0.95 0.00 0.00 178.83 178.63 2b3w h LEU 156 N 0.82 0.68 -0.58 1.46 3.38 -0.46 -0.19 115.31 120.42 2b3w h LEU 156 Ca 0.16 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2b3w h LEU 156 Cb 0.49 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2b3w h LEU 156 CO 0.02 0.82 0.20 0.00 0.09 0.00 0.00 178.44 179.57 2b3w h ALA 157 N 1.25 0.76 -0.22 1.53 0.00 -0.87 -0.85 119.26 120.86 2b3w h ALA 157 Ca 0.11 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2b3w h ALA 157 Cb 0.55 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2b3w h ALA 157 CO 0.03 0.41 -0.27 0.82 0.00 0.00 0.00 179.25 180.24 2b3w h ILE 158 N 0.81 1.32 0.00 0.00 2.04 -0.99 0.28 117.51 120.97 2b3w h ILE 158 Ca 0.19 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 64.57 2b3w h ILE 158 Cb 0.25 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2b3w h ILE 158 CO -0.01 0.45 -0.12 -0.33 0.00 0.00 0.00 178.15 178.14 2b3w h GLU 159 N 0.27 0.00 0.00 2.37 4.39 -0.96 -2.04 114.58 118.61 2b3w h GLU 159 Ca 0.03 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.47 2b3w h GLU 159 Cb 0.84 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.44 2b3w h GLU 159 CO 0.06 0.12 -1.48 -0.22 -1.16 0.00 0.00 179.01 176.34 2b3w h LYS 160 N 0.00 0.00 -0.48 2.33 3.64 -1.00 -3.36 116.57 117.70 2b3w h LYS 160 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2b3w h LYS 160 Cb 0.23 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2b3w h LYS 160 CO 0.02 0.61 0.20 1.25 -2.27 0.00 0.00 179.45 179.26 2b3w h LEU 161 N 0.00 0.62 -0.17 5.20 5.85 0.29 -2.03 115.31 125.06 2b3w h LEU 161 Ca -0.20 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2b3w h LEU 161 Cb 1.91 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.78 2b3w h LEU 161 CO 0.09 0.56 0.00 -0.62 -0.34 0.00 0.00 178.44 178.13 2b3w n GLU 162 N -4.36 0.98 0.00 1.25 -0.58 -1.05 -3.59 120.64 113.29 2b3w n GLU 162 Ca 0.04 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.89 2b3w n GLU 162 Cb 0.15 -1.08 0.53 0.00 -0.57 0.00 0.00 31.44 30.47 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 -0.41 0.00 0.00 -0.32 1.44 -0.76 -4.25 115.22 110.92 2b3w n HIS 163 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2b3w n HIS 163 Cb 0.04 -0.42 0.00 0.00 0.12 0.00 0.00 29.99 29.73 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 -1.42 0.00 -4.03 -1.40 -0.00 -1.24 -4.69 115.22 102.45 2b3w n HIS 164 Ca 0.08 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.48 2b3w n HIS 164 Cb 0.24 -0.17 -0.15 0.00 -0.00 0.00 0.00 29.99 29.91 2b3w n HIS 164 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2b3w s HIS 165 N -1.11 3.28 -0.29 1.57 5.65 -1.26 -5.07 115.29 118.06 2b3w s HIS 165 Ca 0.00 -2.47 -0.16 0.00 0.25 0.00 0.00 55.06 52.68 2b3w s HIS 165 Cb 0.00 -2.21 0.16 0.00 -1.18 0.00 0.00 32.58 29.35 2b3w s HIS 165 CO 0.00 -0.89 1.03 -1.58 -0.65 0.00 0.00 174.74 172.65 2b3w s HIS 166 N 1.09 -0.51 0.00 3.88 5.04 -1.26 -5.05 115.29 118.47 2b3w s HIS 166 Ca -0.01 0.97 0.00 0.00 -1.54 0.00 0.00 55.06 54.48 2b3w s HIS 166 Cb -0.19 0.31 0.00 0.00 0.04 0.00 0.00 32.58 32.73 2b3w s HIS 166 CO -0.07 -0.25 0.00 0.72 -2.34 0.00 0.00 174.74 172.80 2b3w n HIS 167 N 3.98 0.00 -1.08 3.88 8.25 -1.26 -5.04 115.22 123.94 2b3w n HIS 167 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2b3w n HIS 167 Cb 0.56 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.48 2b3w n HIS 167 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59