#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3w h PRO 2 N 0.00 0.00 -6.51 0.03 0.11 -1.98 -3.44 132.00 120.20 2b3w h PRO 2 Ca 0.00 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 2b3w h PRO 2 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 2b3w h PRO 2 CO 0.00 0.48 0.23 0.08 -0.21 0.00 0.00 178.00 178.58 2b3w s VAL 3 N -3.71 4.42 -0.40 3.15 1.01 -1.26 -4.48 120.40 119.13 2b3w s VAL 3 Ca -0.01 1.81 0.10 0.00 0.00 0.00 0.00 61.98 63.88 2b3w s VAL 3 Cb 0.12 -4.20 0.43 0.00 0.00 0.00 0.00 36.38 32.74 2b3w s VAL 3 CO 0.72 0.45 1.04 -1.14 0.00 0.00 0.00 175.10 176.17 2b3w n ARG 4 N 2.05 2.50 -0.94 2.72 0.63 -1.20 -4.93 116.66 117.49 2b3w n ARG 4 Ca -0.03 -4.02 -0.26 0.00 -0.92 0.00 0.00 57.85 52.62 2b3w n ARG 4 Cb 0.49 -1.85 -0.04 0.00 0.45 0.00 0.00 32.46 31.51 2b3w n ARG 4 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2b3w n ALA 5 N -0.30 5.77 -2.71 5.13 0.00 -1.26 -4.89 120.51 122.25 2b3w n ALA 5 Ca 0.27 -2.45 -0.40 0.00 0.00 0.00 0.00 53.44 50.87 2b3w n ALA 5 Cb 0.71 -3.04 -0.05 0.00 0.00 0.00 0.00 19.45 17.08 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 2.71 4.40 -0.38 0.00 0.74 -1.26 -4.89 119.66 120.97 2b3w s GLN 6 Ca 0.52 0.80 -0.27 0.00 0.05 0.00 0.00 55.36 56.45 2b3w s GLN 6 Cb 0.15 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.76 2b3w s GLN 6 CO -0.04 0.04 2.03 -0.98 -0.55 0.00 0.00 175.29 175.78 2b3w s ARG 7 N 0.93 2.92 -1.06 1.67 1.70 -1.26 -4.90 118.95 118.94 2b3w s ARG 7 Ca 0.35 1.42 -0.18 0.00 -0.47 0.00 0.00 55.73 56.85 2b3w s ARG 7 Cb -0.17 -4.35 0.12 0.00 -0.57 0.00 0.00 34.95 29.98 2b3w s ARG 7 CO 0.16 -2.35 1.33 0.42 -1.08 0.00 0.00 175.30 173.78 2b3w s ILE 8 N 8.64 4.62 -1.75 4.99 1.01 -1.26 -4.75 121.20 132.69 2b3w s ILE 8 Ca 0.86 -1.78 0.20 0.00 0.00 0.00 0.00 60.65 59.92 2b3w s ILE 8 Cb -0.22 -4.91 0.63 0.00 0.01 0.00 0.00 42.46 37.97 2b3w s ILE 8 CO 0.30 -1.67 1.53 0.00 0.00 0.00 0.00 174.94 175.10 2b3w n GLN 9 N 6.87 2.88 -3.53 2.79 -0.00 -1.26 -4.52 117.38 120.62 2b3w n GLN 9 Ca 0.32 -2.53 -0.29 0.00 -0.00 0.00 0.00 57.00 54.50 2b3w n GLN 9 Cb 0.47 -1.63 -0.13 0.00 -0.00 0.00 0.00 30.24 28.95 2b3w n GLN 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2b3w s HIS 10 N -1.31 0.70 0.44 2.61 5.04 -1.26 -5.13 115.29 116.37 2b3w s HIS 10 Ca 0.46 -1.38 0.08 0.00 -1.54 0.00 0.00 55.06 52.68 2b3w s HIS 10 Cb 0.26 -1.01 0.02 0.00 0.04 0.00 0.00 32.58 31.88 2b3w s HIS 10 CO 0.29 -0.83 0.59 0.14 -2.34 0.00 0.00 174.74 172.59 2b3w s VAL 11 N 1.47 2.93 0.00 0.89 -7.23 -1.26 -5.08 120.40 112.13 2b3w s VAL 11 Ca 0.14 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 2b3w s VAL 11 Cb -0.20 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 33.80 2b3w s VAL 11 CO -0.16 0.00 0.28 0.23 -0.31 0.00 0.00 175.10 175.15 2b3w n MET 12 N -1.89 0.00 0.03 4.82 2.81 -1.26 -5.02 117.12 116.61 2b3w n MET 12 Ca 0.09 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 2b3w n MET 12 Cb 0.59 -0.96 0.00 0.00 -0.71 0.00 0.00 33.22 32.14 2b3w n MET 12 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2b3w n GLN 13 N -1.32 0.00 -3.46 0.03 -0.06 -1.26 -4.96 117.38 106.35 2b3w n GLN 13 Ca 0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.73 2b3w n GLN 13 Cb 0.00 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.09 2b3w n GLN 13 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2b3w n ASP 14 N -2.75 2.59 -4.82 1.69 2.03 -1.26 -4.82 116.55 109.21 2b3w n ASP 14 Ca 0.00 -3.17 -0.32 0.00 0.52 0.00 0.00 54.79 51.81 2b3w n ASP 14 Cb 0.00 -0.67 -0.01 0.00 -0.72 0.00 0.00 41.12 39.72 2b3w n ASP 14 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2b3w s THR 15 N -1.85 4.11 -0.17 5.18 2.01 -1.26 -4.84 115.64 118.82 2b3w s THR 15 Ca 0.36 1.01 -0.00 0.00 0.31 0.00 0.00 61.69 63.36 2b3w s THR 15 Cb 0.11 -3.52 -0.00 0.00 0.01 0.00 0.00 72.50 69.10 2b3w s THR 15 CO -0.07 -0.58 -0.14 -0.63 -0.69 0.00 0.00 174.62 172.51 2b3w s ILE 16 N -2.52 2.75 -0.45 1.82 -1.09 -1.26 0.86 121.20 121.31 2b3w s ILE 16 Ca 0.62 -0.73 -0.09 0.00 -2.23 0.00 0.00 60.65 58.22 2b3w s ILE 16 Cb -0.14 -2.18 0.10 0.00 -1.58 0.00 0.00 42.46 38.67 2b3w s ILE 16 CO 0.34 0.50 0.31 -0.63 -1.23 0.00 0.00 174.94 174.24 2b3w s ILE 17 N 0.96 4.20 -0.48 2.92 -1.09 0.70 -4.90 121.20 123.51 2b3w s ILE 17 Ca -0.02 -1.66 -0.15 0.00 -2.23 0.00 0.00 60.65 56.59 2b3w s ILE 17 Cb -0.15 -3.70 0.08 0.00 -1.58 0.00 0.00 42.46 37.11 2b3w s ILE 17 CO -0.02 -0.68 0.40 0.20 -1.23 0.00 0.00 174.94 173.61 2b3w s ASN 18 N 2.46 6.12 -0.05 3.58 -0.87 -1.25 -0.58 114.94 124.35 2b3w s ASN 18 Ca 0.05 -1.41 0.06 0.00 -1.57 0.00 0.00 52.86 49.99 2b3w s ASN 18 Cb -0.25 -2.17 -0.02 0.00 -0.02 0.00 0.00 41.25 38.79 2b3w s ASN 18 CO 0.00 -0.67 -0.22 0.72 -2.57 0.00 0.00 177.10 174.37 2b3w s PHE 19 N 1.62 2.49 -0.02 2.20 -0.71 -0.81 -4.94 117.98 117.81 2b3w s PHE 19 Ca 0.04 -0.46 -0.16 0.00 -1.04 0.00 0.00 56.93 55.31 2b3w s PHE 19 Cb -0.25 -1.59 0.03 0.00 -1.21 0.00 0.00 43.02 40.00 2b3w s PHE 19 CO 0.06 -0.04 0.34 -0.47 -1.34 0.00 0.00 175.22 173.76 2b3w s TYR 20 N -0.45 -0.23 0.42 3.49 5.04 -1.26 -3.02 117.35 121.34 2b3w s TYR 20 Ca 0.05 0.37 0.00 0.00 -2.44 0.00 0.00 57.07 55.05 2b3w s TYR 20 Cb -0.12 0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.31 2b3w s TYR 20 CO 0.01 -0.39 0.00 -1.13 -1.34 0.00 0.00 175.55 172.70 2b3w n SER 21 N 1.35 -5.67 -0.68 4.32 3.41 -1.26 -4.52 113.62 110.58 2b3w n SER 21 Ca -0.21 1.19 0.13 0.00 -0.26 0.00 0.00 58.87 59.72 2b3w n SER 21 Cb 0.56 -3.30 0.35 0.00 -0.26 0.00 0.00 64.21 61.57 2b3w n SER 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2b3w n THR 22 N -2.81 0.02 0.09 6.66 -1.04 -1.26 -3.97 114.28 111.97 2b3w n THR 22 Ca -0.03 -0.36 -0.07 0.00 -2.04 0.00 0.00 64.05 61.56 2b3w n THR 22 Cb 0.39 0.89 0.03 0.00 -1.82 0.00 0.00 70.33 69.82 2b3w n THR 22 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2b3w h SER 23 N 3.29 0.20 -4.29 8.00 0.02 -1.93 -3.43 113.55 115.41 2b3w h SER 23 Ca 0.00 -0.15 -0.50 0.00 -0.84 0.00 0.00 61.79 60.30 2b3w h SER 23 Cb 0.70 -0.06 0.06 0.00 0.14 0.00 0.00 62.40 63.24 2b3w h SER 23 CO 0.00 0.92 0.38 -1.81 -1.14 0.00 0.00 176.83 175.18 2b3w s ASP 24 N -6.89 6.06 0.48 3.07 1.01 -1.26 -4.95 116.67 114.19 2b3w s ASP 24 Ca -0.03 1.30 0.25 0.00 0.71 0.00 0.00 52.55 54.78 2b3w s ASP 24 Cb 0.11 -2.32 1.17 0.00 1.01 0.00 0.00 42.92 42.88 2b3w s ASP 24 CO 0.81 -0.94 1.94 0.44 0.21 0.00 0.00 175.17 177.63 2b3w h ASP 25 N -0.33 0.00 0.11 0.27 5.19 -1.87 0.89 116.42 120.68 2b3w h ASP 25 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2b3w h ASP 25 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2b3w h ASP 25 CO 0.62 0.19 0.00 -1.22 -3.12 0.00 0.00 179.24 175.71 2b3w n TYR 26 N -3.54 0.00 0.50 4.55 4.01 -1.26 -3.27 117.16 118.15 2b3w n TYR 26 Ca -0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.78 2b3w n TYR 26 Cb 0.34 -0.07 0.25 0.00 -0.31 0.00 0.00 39.34 39.55 2b3w n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2b3w n GLY 27 N 0.68 -0.46 0.25 2.72 0.00 0.31 -2.00 105.19 106.68 2b3w n GLY 27 Ca 0.18 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.21 2b3w n GLY 27 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2b3w h ASP 28 N 0.00 0.03 1.05 1.61 3.32 -1.79 -0.92 116.42 119.72 2b3w h ASP 28 Ca 0.00 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2b3w h ASP 28 Cb 0.05 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2b3w h ASP 28 CO 0.00 0.11 -0.25 -0.26 -1.72 0.00 0.00 179.24 177.12 2b3w h PHE 29 N 0.04 0.00 -3.55 4.55 -1.00 -1.74 -3.46 116.94 111.78 2b3w h PHE 29 Ca 0.01 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.24 2b3w h PHE 29 Cb 0.14 0.00 0.10 0.00 3.61 0.00 0.00 35.95 39.80 2b3w h PHE 29 CO 0.00 0.25 0.76 0.45 -1.61 0.00 0.00 178.31 178.16 2b3w n SER 30 N -3.35 3.61 0.19 2.17 2.88 -0.35 -4.88 113.62 113.88 2b3w n SER 30 Ca 0.01 1.19 0.14 0.00 -1.33 0.00 0.00 58.87 58.88 2b3w n SER 30 Cb 0.47 -1.58 0.50 0.00 -0.75 0.00 0.00 64.21 62.85 2b3w n SER 30 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2b3w h ASN 31 N 3.56 0.00 0.26 -3.46 7.08 -1.88 -2.60 115.58 118.54 2b3w h ASN 31 Ca -0.48 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.74 2b3w h ASN 31 Cb 1.24 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.48 2b3w h ASN 31 CO 0.69 0.00 -0.30 0.33 -2.08 0.00 0.00 177.43 176.08 2b3w n PHE 32 N -2.63 0.00 -1.96 4.14 7.35 -1.26 -3.33 117.46 119.78 2b3w n PHE 32 Ca 0.02 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.34 2b3w n PHE 32 Cb 0.32 -0.13 0.03 0.00 0.35 0.00 0.00 39.48 40.05 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 -2.56 2.83 -1.49 3.13 0.00 -0.98 -4.86 121.76 117.82 2b3w s ALA 33 Ca 0.23 1.17 -0.10 0.00 0.00 0.00 0.00 51.96 53.26 2b3w s ALA 33 Cb 0.19 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 2b3w s ALA 33 CO 0.54 -1.13 3.00 0.00 0.00 0.00 0.00 175.76 178.17 2b3w n ALA 34 N -0.94 7.47 -3.28 0.00 0.00 -1.26 -4.76 120.51 117.74 2b3w n ALA 34 Ca 0.10 -3.42 -0.38 0.00 0.00 0.00 0.00 53.44 49.74 2b3w n ALA 34 Cb 0.46 -3.28 -0.12 0.00 0.00 0.00 0.00 19.45 16.51 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 1.96 3.26 0.34 0.00 0.52 -1.26 -5.02 118.94 118.74 2b3w s TRP 35 Ca 0.69 -1.48 -0.29 0.00 0.02 0.00 0.00 56.10 55.05 2b3w s TRP 35 Cb 0.19 -2.29 -0.11 0.00 -1.15 0.00 0.00 33.47 30.11 2b3w s TRP 35 CO -0.06 -0.74 1.42 -1.25 0.02 0.00 0.00 176.95 176.34 2b3w s PRO 36 N 1.39 4.22 -0.03 4.98 0.04 -1.26 -3.61 135.00 140.73 2b3w s PRO 36 Ca -0.02 2.40 0.06 0.00 0.04 0.00 0.00 61.00 63.48 2b3w s PRO 36 Cb -0.20 -3.03 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 2b3w s PRO 36 CO 0.02 -0.39 -0.19 0.96 0.04 0.00 0.00 177.00 177.44 2b3w s ILE 37 N -0.92 1.55 -0.47 0.56 -4.36 0.10 -4.87 121.20 112.80 2b3w s ILE 37 Ca 0.53 -0.82 -0.17 0.00 -0.26 0.00 0.00 60.65 59.93 2b3w s ILE 37 Cb -0.43 -1.30 0.05 0.00 1.25 0.00 0.00 42.46 42.03 2b3w s ILE 37 CO 0.56 0.44 0.46 -0.75 0.24 0.00 0.00 174.94 175.89 2b3w s LYS 38 N -0.30 3.04 -0.09 0.37 2.47 -1.26 -0.13 119.74 123.84 2b3w s LYS 38 Ca 0.03 -1.08 0.02 0.00 -1.56 0.00 0.00 55.97 53.39 2b3w s LYS 38 Cb -0.09 -4.08 0.01 0.00 -1.46 0.00 0.00 37.83 32.21 2b3w s LYS 38 CO 0.00 -1.03 -0.14 0.08 0.16 0.00 0.00 175.35 174.42 2b3w s VAL 39 N 2.03 1.37 -1.52 4.02 1.01 0.86 -4.78 120.40 123.39 2b3w s VAL 39 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2b3w s VAL 39 Cb -0.21 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.91 2b3w s VAL 39 CO 0.10 0.41 0.00 0.47 0.00 0.00 0.00 175.10 176.08 2b3w n ASP 40 N 4.08 -4.28 0.00 3.32 8.00 -1.26 -0.92 116.55 125.49 2b3w n ASP 40 Ca -0.20 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2b3w n ASP 40 Cb 0.51 -3.79 0.00 0.00 -0.02 0.00 0.00 41.12 37.82 2b3w n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b3w n GLY 41 N -0.51 1.74 3.39 0.44 0.00 -1.26 -5.08 105.19 103.90 2b3w n GLY 41 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.50 1.42 -0.43 1.61 1.02 -0.10 -5.10 119.74 117.67 2b3w s LYS 42 Ca 0.00 -1.46 -0.16 0.00 0.02 0.00 0.00 55.97 54.38 2b3w s LYS 42 Cb 0.00 -1.70 0.03 0.00 -0.52 0.00 0.00 37.83 35.64 2b3w s LYS 42 CO 0.00 0.37 0.35 0.99 -0.92 0.00 0.00 175.35 176.14 2b3w s THR 43 N -1.66 5.22 -0.13 2.17 2.01 -1.26 -0.10 115.64 121.89 2b3w s THR 43 Ca 0.18 -0.72 -0.11 0.00 0.31 0.00 0.00 61.69 61.36 2b3w s THR 43 Cb -0.08 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 2b3w s THR 43 CO 0.08 -0.41 0.22 0.26 -0.69 0.00 0.00 174.62 174.08 2b3w s TRP 44 N 1.76 3.54 -0.72 4.92 0.52 0.81 -4.91 118.94 124.86 2b3w s TRP 44 Ca 0.06 0.57 -0.05 0.00 0.02 0.00 0.00 56.10 56.70 2b3w s TRP 44 Cb -0.20 -2.15 -0.08 0.00 -1.15 0.00 0.00 33.47 29.89 2b3w s TRP 44 CO 0.10 0.49 2.21 -2.30 0.02 0.00 0.00 176.95 177.47 2b3w n PRO 45 N 2.71 1.93 0.00 4.98 -0.02 -1.26 -0.72 135.00 142.62 2b3w n PRO 45 Ca -0.16 -1.27 0.00 0.00 -2.02 0.00 0.00 63.50 60.05 2b3w n PRO 45 Cb 0.53 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2b3w n PRO 45 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2b3w n THR 46 N 3.79 0.00 -0.21 3.45 5.66 -1.24 -4.51 114.28 121.23 2b3w n THR 46 Ca 0.41 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.43 2b3w n THR 46 Cb 0.24 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 69.13 2b3w n THR 46 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2b3w h SER 47 N 0.00 -0.23 -0.72 1.09 0.02 -1.82 -1.01 113.55 110.88 2b3w h SER 47 Ca 0.00 0.15 0.15 0.00 -0.84 0.00 0.00 61.79 61.25 2b3w h SER 47 Cb 0.00 0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 2b3w h SER 47 CO 0.00 -0.10 0.49 -0.08 -1.14 0.00 0.00 176.83 175.99 2b3w h GLU 48 N 0.14 0.34 -0.01 3.45 4.57 -1.85 0.76 114.58 121.97 2b3w h GLU 48 Ca 0.34 -0.02 -0.17 0.00 -1.18 0.00 0.00 59.36 58.33 2b3w h GLU 48 Cb 0.55 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2b3w h GLU 48 CO -0.53 0.22 -0.66 0.45 -1.18 0.00 0.00 179.01 177.32 2b3w h HIS 49 N 0.35 0.68 0.00 0.92 3.86 -1.41 -2.47 115.15 117.08 2b3w h HIS 49 Ca 0.35 -0.36 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 2b3w h HIS 49 Cb 0.88 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.26 2b3w h HIS 49 CO -0.00 1.18 -0.32 -0.92 0.86 0.00 0.00 177.93 178.73 2b3w h TYR 50 N -0.01 0.00 0.25 2.45 3.20 -1.03 0.00 116.97 121.83 2b3w h TYR 50 Ca -0.08 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 2b3w h TYR 50 Cb 1.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.63 2b3w h TYR 50 CO 0.14 0.32 -0.12 0.35 -1.64 0.00 0.00 178.16 177.21 2b3w h PHE 51 N 0.00 -0.31 -0.36 -3.82 3.57 0.52 0.92 116.94 117.46 2b3w h PHE 51 Ca -0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 2b3w h PHE 51 Cb 0.76 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 2b3w h PHE 51 CO 0.00 -0.09 0.07 1.96 -2.23 0.00 0.00 178.31 178.02 2b3w h GLN 52 N -0.48 0.53 0.00 1.11 7.50 -1.31 0.12 115.11 122.59 2b3w h GLN 52 Ca -0.03 -0.09 -0.05 0.00 0.50 0.00 0.00 58.65 58.97 2b3w h GLN 52 Cb 0.36 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.79 2b3w h GLN 52 CO 0.06 0.51 -0.26 0.00 -1.50 0.00 0.00 178.83 177.64 2b3w h ALA 53 N 1.56 1.48 -0.18 3.87 0.00 -0.57 -1.84 119.26 123.58 2b3w h ALA 53 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2b3w h ALA 53 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2b3w h ALA 53 CO -0.00 0.32 0.00 0.94 0.00 0.00 0.00 179.25 180.51 2b3w n GLN 54 N -4.09 1.83 -0.06 0.00 -0.06 0.28 -4.45 117.38 110.83 2b3w n GLN 54 Ca -0.02 -1.78 -0.05 0.00 -2.00 0.00 0.00 57.00 53.15 2b3w n GLN 54 Cb 0.32 -1.36 -0.03 0.00 -4.06 0.00 0.00 30.24 25.11 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 3.36 0.00 -6.40 3.69 3.64 0.03 -3.47 116.57 117.42 2b3w h LYS 55 Ca 0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 2b3w h LYS 55 Cb 0.77 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 2b3w h LYS 55 CO 0.00 0.21 0.01 -0.06 -2.27 0.00 0.00 179.45 177.34 2b3w s PHE 56 N -1.90 3.69 -1.91 1.91 0.08 -0.87 -3.23 117.98 115.75 2b3w s PHE 56 Ca -0.09 1.27 0.21 0.00 0.12 0.00 0.00 56.93 58.43 2b3w s PHE 56 Cb 0.01 -2.51 0.54 0.00 -0.57 0.00 0.00 43.02 40.48 2b3w s PHE 56 CO 0.20 0.44 1.45 1.47 -0.10 0.00 0.00 175.22 178.68 2b3w n LEU 57 N 1.05 3.66 -4.64 -0.37 -0.00 -1.20 -4.85 117.00 110.65 2b3w n LEU 57 Ca -0.06 -1.87 -0.40 0.00 -0.00 0.00 0.00 56.01 53.68 2b3w n LEU 57 Cb 0.51 -0.39 -0.06 0.00 -0.00 0.00 0.00 43.42 43.48 2b3w n LEU 57 CO 0.43 0.89 0.38 -0.62 -0.00 0.00 0.00 177.39 178.47 2b3w s ASP 58 N -1.10 6.63 0.18 1.45 2.15 -1.26 -4.96 116.67 119.76 2b3w s ASP 58 Ca 0.42 0.77 -0.13 0.00 0.43 0.00 0.00 52.55 54.04 2b3w s ASP 58 Cb 0.23 -2.34 0.10 0.00 -0.30 0.00 0.00 42.92 40.61 2b3w s ASP 58 CO 0.30 -0.32 1.82 -0.08 -0.17 0.00 0.00 175.17 176.72 2b3w h GLU 59 N 7.68 0.65 0.16 4.34 4.57 -1.98 -0.76 114.58 129.25 2b3w h GLU 59 Ca -0.29 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.84 2b3w h GLU 59 Cb 1.13 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2b3w h GLU 59 CO 0.77 0.43 -0.08 0.87 -1.18 0.00 0.00 179.01 179.83 2b3w h LYS 60 N 0.67 -0.21 -0.04 1.92 1.57 -1.99 -1.25 116.57 117.24 2b3w h LYS 60 Ca 0.21 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 2b3w h LYS 60 Cb -0.01 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2b3w h LYS 60 CO -0.08 0.17 -0.35 -0.92 -0.57 0.00 0.00 179.45 177.70 2b3w h TYR 61 N -0.64 0.09 -0.21 -1.35 3.20 -1.98 -1.80 116.97 114.28 2b3w h TYR 61 Ca -0.02 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.72 2b3w h TYR 61 Cb 0.47 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2b3w h TYR 61 CO 0.05 0.42 -0.36 -0.09 -1.64 0.00 0.00 178.16 176.54 2b3w h ARG 62 N 0.07 0.44 0.00 1.82 1.12 -1.07 -1.51 114.38 115.25 2b3w h ARG 62 Ca 0.01 -0.20 -0.06 0.00 -1.11 0.00 0.00 59.98 58.62 2b3w h ARG 62 Cb 0.65 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.59 2b3w h ARG 62 CO 0.05 0.74 -0.28 1.49 -3.11 0.00 0.00 179.97 178.86 2b3w h GLU 63 N 0.38 0.00 0.00 0.20 4.57 -0.42 -1.53 114.58 117.78 2b3w h GLU 63 Ca 0.04 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.11 2b3w h GLU 63 Cb 0.81 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 2b3w h GLU 63 CO 0.07 0.28 -0.55 1.49 -1.18 0.00 0.00 179.01 179.12 2b3w h GLU 64 N 0.00 0.00 0.00 1.92 4.57 -0.55 -2.64 114.58 117.88 2b3w h GLU 64 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2b3w h GLU 64 Cb 0.57 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 2b3w h GLU 64 CO 0.04 0.55 -0.19 0.82 -1.18 0.00 0.00 179.01 179.04 2b3w h ILE 65 N 0.00 0.36 0.00 2.32 2.04 -0.41 -1.73 117.51 120.09 2b3w h ILE 65 Ca -0.01 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.54 2b3w h ILE 65 Cb 1.06 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 2b3w h ILE 65 CO 0.07 0.19 0.00 -0.09 0.00 0.00 0.00 178.15 178.32 2b3w h ARG 66 N 0.00 0.00 -0.01 2.37 2.43 -1.14 -3.28 114.38 114.75 2b3w h ARG 66 Ca -0.00 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 2b3w h ARG 66 Cb 1.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.56 2b3w h ARG 66 CO 0.02 0.00 -0.67 -0.09 -1.51 0.00 0.00 179.97 177.73 2b3w h ARG 67 N 0.00 0.46 -6.32 0.20 9.65 -0.98 -3.44 114.38 113.96 2b3w h ARG 67 Ca 0.00 -0.49 -0.54 0.00 -1.10 0.00 0.00 59.98 57.85 2b3w h ARG 67 Cb 0.82 0.14 0.01 0.00 -1.39 0.00 0.00 29.97 29.55 2b3w h ARG 67 CO 0.00 1.14 1.15 0.54 2.80 0.00 0.00 179.97 185.60 2b3w s VAL 68 N -3.24 3.30 0.01 0.20 0.11 -0.97 -4.87 120.40 114.93 2b3w s VAL 68 Ca -0.13 0.39 0.07 0.00 -2.93 0.00 0.00 61.98 59.38 2b3w s VAL 68 Cb 0.04 -3.25 -0.24 0.00 -1.53 0.00 0.00 36.38 31.40 2b3w s VAL 68 CO 0.84 -0.03 0.87 0.28 -3.33 0.00 0.00 175.10 173.72 2b3w h SER 69 N 9.91 0.10 -2.91 3.54 0.02 -1.88 -3.45 113.55 118.88 2b3w h SER 69 Ca -0.44 -0.16 -0.55 0.00 -0.84 0.00 0.00 61.79 59.80 2b3w h SER 69 Cb 1.21 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 2b3w h SER 69 CO 0.95 1.14 0.85 -0.55 -1.14 0.00 0.00 176.83 178.08 2b3w s SER 70 N -6.50 6.89 0.28 3.07 0.15 -1.26 -4.91 113.70 111.41 2b3w s SER 70 Ca -0.05 1.97 0.03 0.00 0.70 0.00 0.00 55.95 58.59 2b3w s SER 70 Cb 0.08 -2.55 0.39 0.00 -1.71 0.00 0.00 66.02 62.24 2b3w s SER 70 CO 0.83 -0.72 1.70 -0.65 1.20 0.00 0.00 173.24 175.60 2b3w h PRO 71 N 8.04 0.45 -0.15 5.44 0.11 -1.87 -2.14 132.00 141.88 2b3w h PRO 71 Ca -0.35 -0.18 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 2b3w h PRO 71 Cb 1.16 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2b3w h PRO 71 CO 0.92 0.70 -0.04 1.98 -0.21 0.00 0.00 178.00 181.36 2b3w h MET 72 N 0.39 0.29 -0.50 1.05 4.05 -1.96 -1.73 114.93 116.52 2b3w h MET 72 Ca 0.05 -0.11 -0.08 0.00 -0.28 0.00 0.00 59.70 59.29 2b3w h MET 72 Cb 0.72 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.48 2b3w h MET 72 CO 0.06 0.57 0.01 0.28 0.23 0.00 0.00 176.91 178.05 2b3w h VAL 73 N -0.02 1.25 -0.31 -5.77 2.07 -1.97 0.12 116.25 111.63 2b3w h VAL 73 Ca 0.04 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.56 2b3w h VAL 73 Cb 0.47 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2b3w h VAL 73 CO 0.01 0.36 0.15 0.00 0.02 0.00 0.00 177.57 178.12 2b3w h ALA 74 N 1.22 0.37 -0.52 1.67 0.00 -1.24 -0.31 119.26 120.45 2b3w h ALA 74 Ca 0.15 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2b3w h ALA 74 Cb 0.46 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2b3w h ALA 74 CO 0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 179.25 178.99 2b3w h ALA 75 N 1.16 0.70 0.06 0.00 0.00 -1.06 0.24 119.26 120.36 2b3w h ALA 75 Ca 0.13 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.75 2b3w h ALA 75 Cb 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2b3w h ALA 75 CO -0.09 0.56 -0.23 -0.09 0.00 0.00 0.00 179.25 179.40 2b3w h ARG 76 N 0.81 -0.38 0.00 0.00 9.65 -0.17 -0.14 114.38 124.16 2b3w h ARG 76 Ca 0.14 0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.97 2b3w h ARG 76 Cb 0.59 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 2b3w h ARG 76 CO 0.04 -0.25 -0.39 0.00 2.80 0.00 0.00 179.97 182.16 2b3w h MET 77 N -0.39 0.00 0.00 0.20 -0.00 -1.11 -3.11 114.93 110.52 2b3w h MET 77 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.74 2b3w h MET 77 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.04 2b3w h MET 77 CO -0.17 0.37 0.00 0.41 -0.00 0.00 0.00 176.91 177.53 2b3w n GLY 78 N 1.20 -1.24 0.14 -3.00 0.00 0.07 -2.35 105.19 100.01 2b3w n GLY 78 Ca 0.02 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.41 0.51 -2.28 1.61 1.74 -0.11 -4.86 116.66 111.86 2b3w n ARG 79 Ca 0.08 -0.29 -0.42 0.00 -0.77 0.00 0.00 57.85 56.45 2b3w n ARG 79 Cb 0.25 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 2b3w n ARG 79 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2b3w s ASP 80 N -2.68 6.90 -0.11 0.55 2.15 -0.99 -4.90 116.67 117.59 2b3w s ASP 80 Ca 0.20 2.04 0.15 0.00 0.43 0.00 0.00 52.55 55.37 2b3w s ASP 80 Cb 0.19 -2.56 0.64 0.00 -0.30 0.00 0.00 42.92 40.88 2b3w s ASP 80 CO 0.58 -0.68 1.52 -1.14 -0.17 0.00 0.00 175.17 175.27 2b3w n ARG 81 N 5.30 3.51 0.00 4.34 0.63 -1.26 -3.78 116.66 125.40 2b3w n ARG 81 Ca 0.13 -2.50 0.12 0.00 -0.92 0.00 0.00 57.85 54.67 2b3w n ARG 81 Cb 0.44 -1.86 0.24 0.00 0.45 0.00 0.00 32.46 31.73 2b3w n ARG 81 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2b3w n SER 82 N 0.89 0.82 -4.92 6.15 7.64 -1.26 -4.88 113.62 118.05 2b3w n SER 82 Ca 0.23 -0.62 -0.26 0.00 1.01 0.00 0.00 58.87 59.23 2b3w n SER 82 Cb 0.83 0.31 0.01 0.00 -1.01 0.00 0.00 64.21 64.34 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 -2.80 3.25 -0.57 1.43 -0.14 -1.25 -4.99 119.74 114.67 2b3w s LYS 83 Ca 0.16 -0.04 -0.27 0.00 -1.36 0.00 0.00 55.97 54.46 2b3w s LYS 83 Cb 0.18 -2.40 -0.03 0.00 -1.68 0.00 0.00 37.83 33.90 2b3w s LYS 83 CO 0.65 -0.34 1.91 -1.25 -0.76 0.00 0.00 175.35 175.56 2b3w s PRO 84 N -4.74 2.64 0.35 -1.68 0.04 -1.26 -4.97 135.00 125.37 2b3w s PRO 84 Ca 0.49 0.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.13 2b3w s PRO 84 Cb -0.10 -4.39 -0.09 0.00 0.04 0.00 0.00 34.50 29.95 2b3w s PRO 84 CO 0.43 -2.71 0.79 -0.51 0.04 0.00 0.00 177.00 175.04 2b3w s LEU 85 N 9.19 4.02 0.26 -3.56 1.43 -1.26 -3.25 118.68 125.52 2b3w s LEU 85 Ca 0.71 1.38 -0.24 0.00 -1.03 0.00 0.00 54.13 54.95 2b3w s LEU 85 Cb -0.14 -4.20 -0.09 0.00 0.03 0.00 0.00 46.19 41.80 2b3w s LEU 85 CO 0.22 -0.25 0.85 0.00 0.23 0.00 0.00 176.35 177.41 2b3w s ARG 86 N -3.06 4.51 0.49 1.70 1.70 -1.20 -4.87 118.95 118.22 2b3w s ARG 86 Ca 0.56 1.18 0.16 0.00 -0.47 0.00 0.00 55.73 57.17 2b3w s ARG 86 Cb -0.10 -2.94 1.18 0.00 -0.57 0.00 0.00 34.95 32.53 2b3w s ARG 86 CO 0.17 0.38 2.06 -0.22 -1.08 0.00 0.00 175.30 176.61 2b3w h LYS 87 N 3.51 0.17 -0.51 3.89 3.64 -1.97 -1.03 116.57 124.27 2b3w h LYS 87 Ca -0.47 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.82 2b3w h LYS 87 Cb 1.19 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 2b3w h LYS 87 CO 0.65 0.11 0.08 0.09 -2.27 0.00 0.00 179.45 178.12 2b3w n ASN 88 N -4.48 4.66 -0.05 4.20 4.13 -1.26 -4.63 115.26 117.83 2b3w n ASN 88 Ca 0.04 -3.12 -0.09 0.00 1.68 0.00 0.00 54.58 53.09 2b3w n ASN 88 Cb 0.27 -0.66 -0.02 0.00 -1.54 0.00 0.00 39.78 37.82 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 2.68 0.15 -0.14 3.10 -0.00 -1.55 -1.98 115.95 118.21 2b3w h TRP 89 Ca 0.10 0.01 0.04 0.00 -0.00 0.00 0.00 58.89 59.04 2b3w h TRP 89 Cb 1.91 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 31.03 2b3w h TRP 89 CO 0.96 0.07 0.23 0.93 -0.00 0.00 0.00 178.44 180.64 2b3w h GLU 90 N 0.19 0.00 0.00 2.65 3.07 -1.82 -1.13 114.58 117.53 2b3w h GLU 90 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 2b3w h GLU 90 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2b3w h GLU 90 CO -0.09 0.00 -1.73 -1.13 -1.40 0.00 0.00 179.01 174.66 2b3w n SER 91 N -3.45 0.27 -0.91 1.42 3.41 -0.80 -4.42 113.62 109.14 2b3w n SER 91 Ca 0.01 -0.26 0.09 0.00 -0.26 0.00 0.00 58.87 58.44 2b3w n SER 91 Cb 0.33 1.72 0.19 0.00 -0.26 0.00 0.00 64.21 66.20 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 -2.06 0.70 -0.30 -3.33 0.24 -0.45 -4.48 118.33 108.64 2b3w n VAL 92 Ca -0.02 -0.85 -0.03 0.00 -2.04 0.00 0.00 64.34 61.40 2b3w n VAL 92 Cb 0.51 0.75 0.09 0.00 -1.47 0.00 0.00 33.84 33.72 2b3w n VAL 92 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2b3w h LYS 93 N 3.23 1.05 0.00 7.34 1.57 -1.70 -0.47 116.57 127.59 2b3w h LYS 93 Ca 0.00 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 2b3w h LYS 93 Cb 0.82 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 2b3w h LYS 93 CO 0.00 0.70 -0.28 1.05 -0.57 0.00 0.00 179.45 180.34 2b3w h GLU 94 N 1.08 0.00 -0.15 3.15 4.11 -1.90 -2.47 114.58 118.40 2b3w h GLU 94 Ca 0.31 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.61 2b3w h GLU 94 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2b3w h GLU 94 CO -0.08 0.28 -0.44 0.37 0.07 0.00 0.00 179.01 179.21 2b3w h GLN 95 N 0.00 0.56 -0.76 1.06 4.15 -1.49 -2.41 115.11 116.22 2b3w h GLN 95 Ca -0.00 -0.40 -0.03 0.00 0.77 0.00 0.00 58.65 58.99 2b3w h GLN 95 Cb 0.87 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.59 2b3w h GLN 95 CO 0.04 1.02 0.37 0.28 -1.93 0.00 0.00 178.83 178.61 2b3w h VAL 96 N 0.20 1.24 -0.90 2.39 2.07 -1.03 -1.77 116.25 118.45 2b3w h VAL 96 Ca -0.01 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.87 2b3w h VAL 96 Cb 1.06 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 2b3w h VAL 96 CO 0.09 0.28 0.59 0.24 0.02 0.00 0.00 177.57 178.80 2b3w h MET 97 N 1.07 1.15 -0.53 1.57 2.86 -1.38 0.39 114.93 120.07 2b3w h MET 97 Ca 0.26 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.85 2b3w h MET 97 Cb 0.10 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 2b3w h MET 97 CO -0.03 0.76 0.33 0.00 1.06 0.00 0.00 176.91 179.03 2b3w h ARG 98 N 1.19 0.64 -0.03 1.72 3.08 -0.81 0.25 114.38 120.41 2b3w h ARG 98 Ca 0.34 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 2b3w h ARG 98 Cb -0.09 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.81 2b3w h ARG 98 CO -0.08 0.42 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.02 2b3w h LYS 99 N 0.66 0.05 -0.14 0.04 3.11 -0.95 -2.35 116.57 116.99 2b3w h LYS 99 Ca 0.21 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 58.00 2b3w h LYS 99 Cb -0.01 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.22 2b3w h LYS 99 CO -0.08 0.37 -0.05 0.00 -2.81 0.00 0.00 179.45 176.88 2b3w h ALA 100 N 0.68 0.19 -0.44 5.00 0.00 -0.83 -2.53 119.26 121.33 2b3w h ALA 100 Ca 0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2b3w h ALA 100 Cb 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2b3w h ALA 100 CO 0.00 -0.03 0.02 -0.07 0.00 0.00 0.00 179.25 179.17 2b3w h LEU 101 N -0.05 0.67 0.27 0.00 3.38 -0.59 0.49 115.31 119.49 2b3w h LEU 101 Ca 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2b3w h LEU 101 Cb 0.50 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2b3w h LEU 101 CO 0.02 0.73 -0.13 -0.09 0.09 0.00 0.00 178.44 179.05 2b3w h ARG 102 N 0.67 -0.36 -0.48 1.13 2.43 -1.40 -2.63 114.38 113.75 2b3w h ARG 102 Ca 0.14 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 2b3w h ARG 102 Cb 0.39 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2b3w h ARG 102 CO 0.01 -0.07 0.32 0.00 -1.51 0.00 0.00 179.97 178.72 2b3w h ALA 103 N 0.01 1.99 -0.07 2.80 0.00 -1.22 0.59 119.26 123.37 2b3w h ALA 103 Ca -0.04 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2b3w h ALA 103 Cb 0.45 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2b3w h ALA 103 CO 0.06 -0.09 -0.19 -0.22 0.00 0.00 0.00 179.25 178.81 2b3w h LYS 104 N 0.35 -0.27 0.02 0.00 3.64 -0.70 -0.09 116.57 119.53 2b3w h LYS 104 Ca 0.21 0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.37 2b3w h LYS 104 Cb 0.39 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 2b3w h LYS 104 CO -0.05 -0.18 -1.21 0.74 -2.27 0.00 0.00 179.45 176.48 2b3w h PHE 105 N -0.28 0.08 -0.07 1.91 0.04 -0.87 -3.19 116.94 114.57 2b3w h PHE 105 Ca 0.08 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 2b3w h PHE 105 Cb 0.39 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 2b3w h PHE 105 CO -0.27 1.06 0.03 0.93 -0.60 0.00 0.00 178.31 179.45 2b3w h GLU 106 N 0.01 0.10 0.00 1.51 4.39 0.25 -3.11 114.58 117.73 2b3w h GLU 106 Ca -0.10 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2b3w h GLU 106 Cb 1.86 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.49 2b3w h GLU 106 CO 0.13 0.24 -0.06 1.96 -1.16 0.00 0.00 179.01 180.12 2b3w h GLN 107 N -0.06 0.00 -4.69 2.33 1.08 -1.14 -3.40 115.11 109.23 2b3w h GLN 107 Ca 0.02 0.00 -0.68 0.00 -1.45 0.00 0.00 58.65 56.54 2b3w h GLN 107 Cb 0.18 0.00 -0.35 0.00 -0.05 0.00 0.00 27.48 27.26 2b3w h GLN 107 CO -0.00 0.06 -0.68 -1.01 -0.95 0.00 0.00 178.83 176.26 2b3w s HIS 108 N -3.46 3.47 0.48 2.96 3.76 -1.18 -4.94 115.29 116.39 2b3w s HIS 108 Ca 0.03 -2.33 0.21 0.00 -0.15 0.00 0.00 55.06 52.82 2b3w s HIS 108 Cb 0.08 -2.58 1.33 0.00 1.11 0.00 0.00 32.58 32.52 2b3w s HIS 108 CO 0.61 -0.89 2.09 0.00 -0.85 0.00 0.00 174.74 175.70 2b3w h ALA 109 N 7.90 1.61 -0.03 -1.40 0.00 -1.79 -0.14 119.26 125.42 2b3w h ALA 109 Ca -0.15 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2b3w h ALA 109 Cb 1.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2b3w h ALA 109 CO 0.57 0.12 -0.09 0.93 0.00 0.00 0.00 179.25 180.78 2b3w h GLU 110 N 0.00 -0.14 -0.17 0.00 3.07 -1.92 -1.28 114.58 114.14 2b3w h GLU 110 Ca -0.00 0.01 -0.21 0.00 -0.50 0.00 0.00 59.36 58.66 2b3w h GLU 110 Cb 0.20 0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.15 2b3w h GLU 110 CO 0.01 -0.10 -0.73 -0.07 -1.40 0.00 0.00 179.01 176.73 2b3w h LEU 111 N -0.15 0.89 -0.58 1.33 3.38 -1.65 -2.63 115.31 115.89 2b3w h LEU 111 Ca 0.05 -0.56 0.04 0.00 0.09 0.00 0.00 57.88 57.49 2b3w h LEU 111 Cb 0.21 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 2b3w h LEU 111 CO -0.12 1.35 0.33 -0.09 0.09 0.00 0.00 178.44 180.01 2b3w h ARG 112 N 0.53 0.63 -0.59 1.13 2.43 -0.94 0.17 114.38 117.73 2b3w h ARG 112 Ca -0.04 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 2b3w h ARG 112 Cb 1.35 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 2b3w h ARG 112 CO 0.15 0.41 0.09 0.00 -1.51 0.00 0.00 179.97 179.11 2b3w h ALA 113 N 1.28 0.79 -0.69 2.80 0.00 -1.21 -0.56 119.26 121.66 2b3w h ALA 113 Ca 0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2b3w h ALA 113 Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2b3w h ALA 113 CO -0.13 0.54 0.32 1.25 0.00 0.00 0.00 179.25 181.24 2b3w h LEU 114 N 0.88 0.92 -0.66 0.00 5.85 -1.02 0.42 115.31 121.70 2b3w h LEU 114 Ca 0.18 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2b3w h LEU 114 Cb 0.43 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2b3w h LEU 114 CO 0.01 0.80 0.11 0.25 -0.34 0.00 0.00 178.44 179.27 2b3w h LEU 115 N 0.97 1.06 -0.04 2.25 5.85 -0.40 -2.25 115.31 122.76 2b3w h LEU 115 Ca 0.24 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2b3w h LEU 115 Cb 0.13 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2b3w h LEU 115 CO -0.03 1.05 -0.03 0.18 -0.34 0.00 0.00 178.44 179.26 2b3w n LEU 116 N -4.23 0.09 0.03 2.25 4.77 -0.24 -3.10 117.00 116.57 2b3w n LEU 116 Ca 0.04 0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 56.18 2b3w n LEU 116 Cb 0.29 -0.30 -0.13 0.00 -2.33 0.00 0.00 43.42 40.94 2b3w n LEU 116 CO 0.43 0.02 -0.27 0.00 -1.33 0.00 0.00 177.39 176.24 2b3w h ALA 117 N 3.37 0.49 0.00 -1.18 0.00 -0.32 -3.33 119.26 118.29 2b3w h ALA 117 Ca 0.00 -1.19 -0.02 0.00 0.00 0.00 0.00 54.91 53.70 2b3w h ALA 117 Cb 0.34 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2b3w h ALA 117 CO 0.00 1.35 -0.12 1.79 0.00 0.00 0.00 179.25 182.27 2b3w h THR 118 N 0.02 0.27 -2.76 0.00 1.35 -1.43 -3.40 112.91 106.96 2b3w h THR 118 Ca -0.19 -0.93 -0.59 0.00 -0.55 0.00 0.00 66.41 64.15 2b3w h THR 118 Cb 1.94 1.75 0.10 0.00 -1.73 0.00 0.00 68.15 70.21 2b3w h THR 118 CO 0.12 0.12 0.33 0.00 -0.25 0.00 0.00 175.52 175.83 2b3w n ALA 119 N -2.15 0.44 -1.37 6.62 0.00 -1.25 -0.09 120.51 122.70 2b3w n ALA 119 Ca 0.01 0.39 -0.35 0.00 0.00 0.00 0.00 53.44 53.49 2b3w n ALA 119 Cb 0.42 -2.13 0.08 0.00 0.00 0.00 0.00 19.45 17.81 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 0.88 2.70 -1.62 0.00 -0.04 -1.26 -4.88 135.00 130.79 2b3w n PRO 120 Ca 0.08 -3.31 -0.33 0.00 -0.04 0.00 0.00 63.50 59.90 2b3w n PRO 120 Cb 0.33 -2.29 0.07 0.00 -0.04 0.00 0.00 33.50 31.57 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 -3.85 2.32 -0.25 0.55 0.00 0.87 -4.61 121.76 116.78 2b3w s ALA 121 Ca 0.64 0.68 -0.27 0.00 0.00 0.00 0.00 51.96 53.01 2b3w s ALA 121 Cb 0.50 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 20.25 2b3w s ALA 121 CO -0.04 -1.53 0.95 0.21 0.00 0.00 0.00 175.76 175.36 2b3w s LYS 122 N -4.02 4.18 -0.40 0.00 2.47 0.25 -4.88 119.74 117.34 2b3w s LYS 122 Ca 0.70 1.10 -0.24 0.00 -1.56 0.00 0.00 55.97 55.97 2b3w s LYS 122 Cb -0.24 -3.66 0.02 0.00 -1.46 0.00 0.00 37.83 32.48 2b3w s LYS 122 CO 0.43 -0.64 0.85 -0.51 0.16 0.00 0.00 175.35 175.64 2b3w s LEU 123 N 3.12 4.09 -0.08 5.43 1.43 -1.26 -0.22 118.68 131.19 2b3w s LEU 123 Ca 0.40 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 2b3w s LEU 123 Cb -0.15 -3.11 0.02 0.00 0.03 0.00 0.00 46.19 42.99 2b3w s LEU 123 CO 0.08 -0.86 -0.11 -0.69 0.23 0.00 0.00 176.35 175.01 2b3w s VAL 124 N 3.35 1.09 -0.18 -1.59 1.01 0.25 -4.28 120.40 120.05 2b3w s VAL 124 Ca 0.34 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 2b3w s VAL 124 Cb -0.12 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2b3w s VAL 124 CO 0.20 0.35 0.24 -0.70 0.00 0.00 0.00 175.10 175.19 2b3w s GLU 125 N 0.96 4.22 -1.21 2.72 2.12 -1.26 -1.93 118.70 124.31 2b3w s GLU 125 Ca -0.09 -0.03 -0.12 0.00 0.36 0.00 0.00 54.97 55.10 2b3w s GLU 125 Cb -0.15 -3.44 0.19 0.00 0.26 0.00 0.00 34.13 30.99 2b3w s GLU 125 CO 0.00 0.22 1.50 1.58 -0.54 0.00 0.00 175.26 178.02 2b3w n HIS 126 N 3.70 4.44 -2.45 5.30 -0.00 -1.17 -2.97 115.22 122.08 2b3w n HIS 126 Ca -0.13 -3.26 -0.38 0.00 -0.00 0.00 0.00 57.72 53.95 2b3w n HIS 126 Cb 0.52 -2.04 -0.03 0.00 -0.00 0.00 0.00 29.99 28.44 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 0.78 3.87 -0.38 3.57 2.01 -1.26 -4.75 115.64 119.48 2b3w s THR 127 Ca 0.40 -1.05 0.26 0.00 0.31 0.00 0.00 61.69 61.61 2b3w s THR 127 Cb -0.00 -4.90 0.33 0.00 0.01 0.00 0.00 72.50 67.93 2b3w s THR 127 CO -0.00 -1.73 1.75 -0.08 -0.69 0.00 0.00 174.62 173.86 2b3w h GLU 128 N 9.37 0.00 0.00 4.92 4.57 -1.92 -1.81 114.58 129.71 2b3w h GLU 128 Ca 0.26 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 58.15 2b3w h GLU 128 Cb 0.96 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.50 2b3w h GLU 128 CO 1.39 0.00 -1.72 -1.71 -1.18 0.00 0.00 179.01 175.78 2b3w n ASN 129 N -2.82 0.84 -3.80 1.04 5.15 -1.26 -4.50 115.26 109.92 2b3w n ASN 129 Ca 0.03 0.40 -0.13 0.00 -0.60 0.00 0.00 54.58 54.29 2b3w n ASN 129 Cb 0.42 -0.02 -0.12 0.00 -0.53 0.00 0.00 39.78 39.53 2b3w n ASN 129 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2b3w s ASP 130 N -6.06 -0.21 -0.95 1.20 -1.08 -1.21 -5.06 116.67 103.31 2b3w s ASP 130 Ca -0.05 0.41 -0.12 0.00 -0.52 0.00 0.00 52.55 52.27 2b3w s ASP 130 Cb 0.08 0.40 0.24 0.00 -1.46 0.00 0.00 42.92 42.18 2b3w s ASP 130 CO 0.82 -0.08 0.91 0.00 0.52 0.00 0.00 175.17 177.35 2b3w s ALA 131 N 0.23 4.35 0.00 3.66 0.00 -1.26 -3.93 121.76 124.81 2b3w s ALA 131 Ca -0.01 -3.53 0.00 0.00 0.00 0.00 0.00 51.96 48.42 2b3w s ALA 131 Cb -0.02 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2b3w s ALA 131 CO -0.01 -2.26 0.00 0.98 0.00 0.00 0.00 175.76 174.48 2b3w n TYR 132 N 3.48 0.00 0.04 0.00 4.19 0.31 -4.75 117.16 120.44 2b3w n TYR 132 Ca 0.18 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.40 2b3w n TYR 132 Cb 0.44 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.27 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 -0.99 0.00 0.00 2.98 7.02 -1.09 -4.61 117.44 120.75 2b3w n TRP 133 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2b3w n TRP 133 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 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 0.08 2.80 0.00 6.99 0.00 -0.73 -3.62 105.19 110.72 2b3w n GLY 134 Ca 0.01 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 0.74 -0.15 1.61 5.75 -1.16 -1.55 116.55 121.80 2b3w n ASP 135 Ca 0.00 -0.84 -0.02 0.00 -0.01 0.00 0.00 54.79 53.92 2b3w n ASP 135 Cb 0.00 1.02 -0.01 0.00 -1.03 0.00 0.00 41.12 41.10 2b3w n ASP 135 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2b3w n GLY 136 N 1.37 0.47 1.98 6.12 0.00 -1.05 -0.64 105.19 113.43 2b3w n GLY 136 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.57 0.39 0.38 -0.02 0.00 -0.70 -4.44 105.19 99.23 2b3w n GLY 137 Ca -0.02 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.99 0.00 -0.95 1.61 1.44 -0.96 -5.01 115.22 108.36 2b3w n HIS 138 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2b3w n HIS 138 Cb 0.00 0.23 0.00 0.00 0.12 0.00 0.00 29.99 30.34 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 0.00 1.08 2.26 -1.39 0.00 -0.40 -4.91 105.19 101.83 2b3w n GLY 139 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2b3w n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b3w n LYS 140 N -2.00 0.76 -0.14 1.61 5.02 0.19 -4.89 118.16 118.72 2b3w n LYS 140 Ca 0.00 -3.34 0.03 0.00 -2.02 0.00 0.00 58.31 52.98 2b3w n LYS 140 Cb 0.00 -1.39 0.04 0.00 -0.02 0.00 0.00 35.03 33.66 2b3w n LYS 140 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b3w n GLY 141 N 1.64 1.63 2.30 0.72 0.00 -0.77 -4.64 105.19 106.07 2b3w n GLY 141 Ca 0.23 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.54 -1.44 0.00 1.61 4.81 -0.78 -0.53 118.16 121.29 2b3w n LYS 142 Ca 0.05 1.48 0.04 0.00 -0.87 0.00 0.00 58.31 59.00 2b3w n LYS 142 Cb 0.52 -3.97 0.23 0.00 0.02 0.00 0.00 35.03 31.83 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 -0.35 0.00 -0.12 3.14 4.05 -0.59 -1.77 115.26 119.62 2b3w n ASN 143 Ca 0.07 -0.80 0.27 0.00 0.45 0.00 0.00 54.58 54.57 2b3w n ASN 143 Cb 0.26 0.00 0.67 0.00 1.23 0.00 0.00 39.78 41.94 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 -0.11 1.20 2.43 -1.84 0.20 114.38 116.26 2b3w h ARG 144 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2b3w h ARG 144 Cb 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2b3w h ARG 144 CO 0.00 0.00 0.03 1.25 -1.51 0.00 0.00 179.97 179.74 2b3w h LEU 145 N 0.00 0.16 -1.60 3.80 5.85 -1.70 0.19 115.31 122.02 2b3w h LEU 145 Ca 0.39 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 2b3w h LEU 145 Cb 1.93 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.91 2b3w h LEU 145 CO -0.00 0.33 -0.22 1.23 -0.34 0.00 0.00 178.44 179.44 2b3w h GLY 146 N -0.02 0.00 1.24 3.75 0.00 -0.77 -1.29 103.07 105.98 2b3w h GLY 146 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.20 2b3w h GLY 146 CO -0.00 0.00 -0.44 -1.82 0.00 0.00 0.00 176.54 174.28 2b3w h TYR 147 N 0.00 1.00 -0.10 5.60 3.20 -0.90 0.34 116.97 126.10 2b3w h TYR 147 Ca -0.00 -0.31 0.02 0.00 3.14 0.00 0.00 58.73 61.57 2b3w h TYR 147 Cb 0.40 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 2b3w h TYR 147 CO 0.00 1.11 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.55 2b3w h LEU 148 N 0.66 -0.06 -1.38 2.82 3.38 0.10 -0.79 115.31 120.05 2b3w h LEU 148 Ca 0.04 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2b3w h LEU 148 Cb 1.02 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2b3w h LEU 148 CO 0.10 -0.02 -0.21 -0.07 0.09 0.00 0.00 178.44 178.33 2b3w h LEU 149 N 0.02 0.14 0.28 1.67 3.38 -1.14 0.05 115.31 119.71 2b3w h LEU 149 Ca 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2b3w h LEU 149 Cb 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2b3w h LEU 149 CO -0.09 0.37 -0.13 -0.03 0.09 0.00 0.00 178.44 178.64 2b3w h MET 150 N 0.14 -0.36 -0.17 1.13 4.05 0.44 0.35 114.93 120.50 2b3w h MET 150 Ca 0.02 0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.35 2b3w h MET 150 Cb 0.46 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 2b3w h MET 150 CO 0.03 -0.18 -0.41 0.93 0.23 0.00 0.00 176.91 177.52 2b3w h GLU 151 N -0.47 0.38 -0.37 0.39 5.08 -1.03 -1.50 114.58 117.06 2b3w h GLU 151 Ca -0.04 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2b3w h GLU 151 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2b3w h GLU 151 CO 0.06 0.73 0.23 1.25 -1.00 0.00 0.00 179.01 180.28 2b3w h LEU 152 N 0.32 0.44 -0.10 1.33 5.85 -0.79 0.28 115.31 122.64 2b3w h LEU 152 Ca 0.03 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.71 2b3w h LEU 152 Cb 0.86 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2b3w h LEU 152 CO 0.07 0.36 0.02 -0.09 -0.34 0.00 0.00 178.44 178.46 2b3w h ARG 153 N 0.49 0.06 -0.06 1.25 2.43 -0.00 -1.61 114.38 116.94 2b3w h ARG 153 Ca 0.13 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 2b3w h ARG 153 Cb -0.01 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2b3w h ARG 153 CO -0.03 0.04 -0.58 0.93 -1.51 0.00 0.00 179.97 178.82 2b3w h GLU 154 N 0.06 0.18 -0.06 0.20 5.08 -1.08 -1.99 114.58 116.97 2b3w h GLU 154 Ca 0.04 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 2b3w h GLU 154 Cb 0.04 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2b3w h GLU 154 CO -0.06 0.71 -0.58 -0.56 -1.00 0.00 0.00 179.01 177.51 2b3w h GLN 155 N 0.13 0.19 0.00 2.33 3.07 -0.29 0.87 115.11 121.42 2b3w h GLN 155 Ca -0.00 -0.13 -0.08 0.00 0.09 0.00 0.00 58.65 58.52 2b3w h GLN 155 Cb 1.07 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.63 2b3w h GLN 155 CO 0.09 0.72 -0.40 -0.07 0.09 0.00 0.00 178.83 179.26 2b3w h LEU 156 N 0.14 0.00 -0.15 0.06 3.38 -1.10 0.23 115.31 117.87 2b3w h LEU 156 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2b3w h LEU 156 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2b3w h LEU 156 CO 0.09 0.40 -0.41 0.00 0.09 0.00 0.00 178.44 178.61 2b3w h ALA 157 N 1.60 0.25 -0.59 1.53 0.00 -0.83 -1.49 119.26 119.74 2b3w h ALA 157 Ca -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2b3w h ALA 157 Cb 1.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2b3w h ALA 157 CO 0.05 0.36 0.25 0.82 0.00 0.00 0.00 179.25 180.74 2b3w h ILE 158 N 0.18 1.22 -0.30 0.00 2.04 -0.61 -1.40 117.51 118.64 2b3w h ILE 158 Ca -0.01 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.24 2b3w h ILE 158 Cb 1.03 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2b3w h ILE 158 CO 0.09 0.26 0.20 -0.08 0.00 0.00 0.00 178.15 178.62 2b3w h GLU 159 N 0.80 0.16 -0.56 2.37 4.57 -0.54 -0.18 114.58 121.21 2b3w h GLU 159 Ca 0.20 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.26 2b3w h GLU 159 Cb 0.17 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2b3w h GLU 159 CO -0.02 0.11 -0.07 -0.22 -1.18 0.00 0.00 179.01 177.63 2b3w h LYS 160 N 0.17 1.03 0.00 1.92 1.63 -0.20 -2.28 116.57 118.84 2b3w h LYS 160 Ca 0.13 -0.36 -0.03 0.00 -0.85 0.00 0.00 60.65 59.54 2b3w h LYS 160 Cb 0.32 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.87 2b3w h LYS 160 CO -0.02 1.05 -0.12 -0.07 -3.45 0.00 0.00 179.45 176.84 2b3w h LEU 161 N 0.91 0.00 -0.85 5.20 4.07 -0.40 -2.07 115.31 122.17 2b3w h LEU 161 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 2b3w h LEU 161 Cb 0.63 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 2b3w h LEU 161 CO 0.04 0.12 0.00 -0.62 -1.08 0.00 0.00 178.44 176.90 2b3w n GLU 162 N -3.42 1.54 -1.68 1.13 -0.58 -0.61 -4.93 120.64 112.08 2b3w n GLU 162 Ca -0.01 -0.76 -0.45 0.00 -0.42 0.00 0.00 57.16 55.52 2b3w n GLU 162 Cb 0.29 -1.21 -0.04 0.00 -0.57 0.00 0.00 31.44 29.91 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 0.12 2.40 0.00 -0.32 1.44 -0.78 -4.72 115.22 113.35 2b3w n HIS 163 Ca 0.07 0.16 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 2b3w n HIS 163 Cb 0.21 -2.60 0.00 0.00 0.12 0.00 0.00 29.99 27.72 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 4.04 0.00 -3.76 -1.40 -0.00 -1.26 -5.03 115.22 107.81 2b3w n HIS 164 Ca 0.17 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.62 2b3w n HIS 164 Cb 0.31 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.18 2b3w n HIS 164 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2b3w s HIS 165 N -0.31 2.88 0.00 1.57 3.76 -1.26 -4.97 115.29 116.97 2b3w s HIS 165 Ca 0.00 -3.06 0.00 0.00 -0.15 0.00 0.00 55.06 51.85 2b3w s HIS 165 Cb 0.00 -2.21 0.00 0.00 1.11 0.00 0.00 32.58 31.48 2b3w s HIS 165 CO 0.00 -0.62 0.00 1.58 -0.85 0.00 0.00 174.74 174.85 2b3w n HIS 166 N 2.20 0.00 0.11 1.40 -0.00 -1.26 -5.07 115.22 112.60 2b3w n HIS 166 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.95 2b3w n HIS 166 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 2b3w n HIS 166 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2b3w n HIS 167 N 0.00 -3.10 -0.30 1.57 8.25 -1.26 -5.27 115.22 115.11 2b3w n HIS 167 Ca 0.00 0.68 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 2b3w n HIS 167 Cb 0.00 1.88 0.00 0.00 1.12 0.00 0.00 29.99 32.99 2b3w n HIS 167 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70