#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 3.37 0.11 3.17 0.04 -1.26 -4.73 135.00 135.70 2b3w s PRO 2 Ca 0.00 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 60.89 2b3w s PRO 2 Cb 0.00 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.49 2b3w s PRO 2 CO 0.00 -1.56 0.00 1.55 0.04 0.00 0.00 177.00 177.03 2b3w n VAL 3 N 6.32 0.05 -2.03 -0.36 3.14 -1.26 -5.03 118.33 119.16 2b3w n VAL 3 Ca 0.03 0.02 -0.18 0.00 -2.96 0.00 0.00 64.34 61.25 2b3w n VAL 3 Cb 0.48 -0.31 -0.04 0.00 -1.06 0.00 0.00 33.84 32.91 2b3w n VAL 3 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2b3w n ARG 4 N -2.91 -1.67 -2.17 1.45 3.00 -1.26 -4.93 116.66 108.17 2b3w n ARG 4 Ca 0.00 0.94 -0.42 0.00 -0.00 0.00 0.00 57.85 58.37 2b3w n ARG 4 Cb 0.00 -5.45 -0.03 0.00 0.00 0.00 0.00 32.46 26.98 2b3w n ARG 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2b3w s ALA 5 N -2.72 3.59 0.15 5.13 0.00 -1.26 -4.64 121.76 122.02 2b3w s ALA 5 Ca 0.00 1.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.88 2b3w s ALA 5 Cb 0.00 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.57 2b3w s ALA 5 CO 0.00 -0.76 1.60 1.96 0.00 0.00 0.00 175.76 178.57 2b3w h GLN 6 N 7.30 0.89 -2.60 0.00 1.08 -1.95 -3.49 115.11 116.34 2b3w h GLN 6 Ca -0.41 -0.28 0.29 0.00 -1.45 0.00 0.00 58.65 56.80 2b3w h GLN 6 Cb 1.20 -0.08 -0.11 0.00 -0.05 0.00 0.00 27.48 28.44 2b3w h GLN 6 CO 0.88 0.92 -0.67 0.54 -0.95 0.00 0.00 178.83 179.55 2b3w n ARG 7 N -4.31 -2.42 -4.07 1.46 1.74 -1.26 -4.99 116.66 102.81 2b3w n ARG 7 Ca 0.01 1.78 -0.13 0.00 -0.77 0.00 0.00 57.85 58.74 2b3w n ARG 7 Cb 0.32 -2.89 -0.11 0.00 -1.02 0.00 0.00 32.46 28.76 2b3w n ARG 7 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2b3w s ILE 8 N -2.87 0.57 0.13 0.55 -4.36 -1.26 -5.05 121.20 108.90 2b3w s ILE 8 Ca 0.00 -1.14 -0.10 0.00 -0.26 0.00 0.00 60.65 59.15 2b3w s ILE 8 Cb 0.00 -0.69 -0.13 0.00 1.25 0.00 0.00 42.46 42.89 2b3w s ILE 8 CO 0.00 -0.41 1.36 1.56 0.24 0.00 0.00 174.94 177.69 2b3w h GLN 9 N 4.39 0.72 -2.51 0.37 4.20 -1.94 -3.48 115.11 116.86 2b3w h GLN 9 Ca -0.36 -0.56 0.15 0.00 0.06 0.00 0.00 58.65 57.94 2b3w h GLN 9 Cb 1.20 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 29.02 2b3w h GLN 9 CO 0.42 1.17 0.44 -3.38 -0.67 0.00 0.00 178.83 176.82 2b3w s HIS 10 N -3.81 -0.10 0.64 2.96 -3.43 -1.26 -5.15 115.29 105.14 2b3w s HIS 10 Ca -0.09 -0.27 0.02 0.00 -0.80 0.00 0.00 55.06 53.92 2b3w s HIS 10 Cb 0.09 0.67 0.09 0.00 -1.43 0.00 0.00 32.58 32.00 2b3w s HIS 10 CO 0.89 -0.95 0.88 0.14 -2.00 0.00 0.00 174.74 173.70 2b3w s VAL 11 N -3.20 2.33 -0.46 -5.38 -7.23 -1.26 -5.02 120.40 100.18 2b3w s VAL 11 Ca 0.13 -0.69 0.03 0.00 -1.81 0.00 0.00 61.98 59.65 2b3w s VAL 11 Cb -0.02 -2.64 0.48 0.00 0.56 0.00 0.00 36.38 34.75 2b3w s VAL 11 CO 0.04 0.00 1.64 0.23 -0.31 0.00 0.00 175.10 176.70 2b3w n MET 12 N -2.57 2.79 -2.32 4.82 0.00 -1.26 -4.98 117.12 113.61 2b3w n MET 12 Ca 0.13 -3.53 -0.04 0.00 0.00 0.00 0.00 57.70 54.26 2b3w n MET 12 Cb 0.60 -2.19 -0.03 0.00 0.00 0.00 0.00 33.22 31.61 2b3w n MET 12 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 2b3w n GLN 13 N -0.91 -3.91 -3.19 0.03 7.27 -1.26 -4.71 117.38 110.70 2b3w n GLN 13 Ca 0.51 3.01 -0.24 0.00 0.07 0.00 0.00 57.00 60.35 2b3w n GLN 13 Cb 0.92 -4.25 0.02 0.00 2.41 0.00 0.00 30.24 29.35 2b3w n GLN 13 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2b3w n ASP 14 N 1.43 -6.70 -4.60 1.69 2.03 -1.26 -4.98 116.55 104.15 2b3w n ASP 14 Ca -0.26 0.17 -0.35 0.00 0.52 0.00 0.00 54.79 54.87 2b3w n ASP 14 Cb 0.41 -3.49 -0.10 0.00 -0.72 0.00 0.00 41.12 37.22 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 -2.04 4.78 -0.47 5.18 2.01 -1.26 -4.96 115.64 118.88 2b3w s THR 15 Ca 0.32 -0.03 -0.17 0.00 0.31 0.00 0.00 61.69 62.11 2b3w s THR 15 Cb -0.05 -3.18 0.05 0.00 0.01 0.00 0.00 72.50 69.33 2b3w s THR 15 CO 0.83 0.42 0.49 -0.63 -0.69 0.00 0.00 174.62 175.04 2b3w s ILE 16 N 0.70 5.05 -0.73 1.82 1.01 -1.26 -0.09 121.20 127.69 2b3w s ILE 16 Ca 0.04 -0.59 -0.21 0.00 0.00 0.00 0.00 60.65 59.90 2b3w s ILE 16 Cb -0.13 -4.16 0.10 0.00 0.01 0.00 0.00 42.46 38.28 2b3w s ILE 16 CO 0.02 -0.60 0.96 -0.63 0.00 0.00 0.00 174.94 174.69 2b3w s ILE 17 N 2.19 4.55 -0.67 2.92 1.01 -0.44 -4.95 121.20 125.80 2b3w s ILE 17 Ca 0.11 -0.86 -0.25 0.00 0.00 0.00 0.00 60.65 59.65 2b3w s ILE 17 Cb -0.20 -4.67 0.04 0.00 0.01 0.00 0.00 42.46 37.64 2b3w s ILE 17 CO 0.11 -1.41 1.12 0.20 0.00 0.00 0.00 174.94 174.97 2b3w s ASN 18 N 3.64 6.22 0.10 3.58 0.02 -1.26 -1.57 114.94 125.67 2b3w s ASN 18 Ca 0.23 -0.56 0.09 0.00 -1.02 0.00 0.00 52.86 51.59 2b3w s ASN 18 Cb -0.15 -2.50 -0.04 0.00 0.02 0.00 0.00 41.25 38.59 2b3w s ASN 18 CO 0.03 -1.59 -0.18 0.72 0.02 0.00 0.00 177.10 176.10 2b3w s PHE 19 N 4.88 2.54 -0.01 2.20 -0.71 -0.20 -4.92 117.98 121.76 2b3w s PHE 19 Ca 0.31 -0.26 -0.16 0.00 -1.04 0.00 0.00 56.93 55.78 2b3w s PHE 19 Cb -0.11 -1.37 0.03 0.00 -1.21 0.00 0.00 43.02 40.35 2b3w s PHE 19 CO 0.15 0.36 0.33 -0.47 -1.34 0.00 0.00 175.22 174.25 2b3w s TYR 20 N -1.10 -0.20 0.57 3.49 5.04 -1.26 -0.52 117.35 123.36 2b3w s TYR 20 Ca 0.17 0.30 0.00 0.00 -2.44 0.00 0.00 57.07 55.10 2b3w s TYR 20 Cb -0.11 0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.32 2b3w s TYR 20 CO 0.09 -0.41 0.00 -1.13 -1.34 0.00 0.00 175.55 172.76 2b3w n SER 21 N 1.21 -7.11 -0.02 4.32 3.41 -1.26 -4.88 113.62 109.28 2b3w n SER 21 Ca -0.21 1.35 -0.01 0.00 -0.26 0.00 0.00 58.87 59.74 2b3w n SER 21 Cb 0.56 -4.50 -0.00 0.00 -0.26 0.00 0.00 64.21 60.01 2b3w n SER 21 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2b3w h THR 22 N -1.22 0.00 0.00 6.66 1.35 -1.93 -3.43 112.91 114.35 2b3w h THR 22 Ca -0.18 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 2b3w h THR 22 Cb 1.23 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2b3w h THR 22 CO 0.07 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.10 2b3w n SER 23 N -3.14 0.00 -1.82 5.36 2.88 -1.26 -3.44 113.62 112.20 2b3w n SER 23 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2b3w n SER 23 Cb 0.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 2b3w n SER 23 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2b3w n ASP 24 N 1.17 0.59 0.12 -3.46 5.75 -1.26 -5.00 116.55 114.46 2b3w n ASP 24 Ca 0.00 -0.91 0.01 0.00 -0.01 0.00 0.00 54.79 53.88 2b3w n ASP 24 Cb 0.00 0.00 0.34 0.00 -1.03 0.00 0.00 41.12 40.43 2b3w n ASP 24 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2b3w h ASP 25 N 0.00 0.21 0.13 -1.12 3.32 -1.90 -2.39 116.42 114.66 2b3w h ASP 25 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2b3w h ASP 25 Cb 0.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2b3w h ASP 25 CO 0.00 0.46 0.00 0.00 -1.72 0.00 0.00 179.24 177.98 2b3w n TYR 26 N -4.18 0.00 0.84 4.55 9.36 -1.26 -2.77 117.16 123.70 2b3w n TYR 26 Ca -0.01 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.28 2b3w n TYR 26 Cb 0.34 -0.08 0.40 0.00 -0.63 0.00 0.00 39.34 39.38 2b3w n TYR 26 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2b3w n GLY 27 N 0.65 -0.44 0.42 2.98 0.00 -0.90 -3.77 105.19 104.12 2b3w n GLY 27 Ca 0.17 -0.08 0.22 0.00 0.00 0.00 0.00 46.02 46.33 2b3w n GLY 27 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2b3w h ASP 28 N 0.00 0.21 -0.65 1.61 3.04 -1.76 -0.86 116.42 118.00 2b3w h ASP 28 Ca 0.00 0.02 0.01 0.00 -3.24 0.00 0.00 57.03 53.81 2b3w h ASP 28 Cb 0.01 -0.02 -0.03 0.00 -1.04 0.00 0.00 39.33 38.25 2b3w h ASP 28 CO 0.00 0.09 0.43 -0.26 -2.04 0.00 0.00 179.24 177.45 2b3w h PHE 29 N 0.21 0.82 -4.09 4.15 0.04 -1.90 -3.44 116.94 112.73 2b3w h PHE 29 Ca 0.41 0.02 -0.56 0.00 2.80 0.00 0.00 57.97 60.64 2b3w h PHE 29 Cb 1.29 -0.28 0.15 0.00 2.20 0.00 0.00 35.95 39.31 2b3w h PHE 29 CO -0.00 0.52 0.55 0.45 -0.60 0.00 0.00 178.31 179.23 2b3w n SER 30 N -4.43 2.29 0.12 2.17 2.88 -0.33 -4.88 113.62 111.44 2b3w n SER 30 Ca 0.07 0.88 0.12 0.00 -1.33 0.00 0.00 58.87 58.61 2b3w n SER 30 Cb 0.04 -1.57 0.46 0.00 -0.75 0.00 0.00 64.21 62.39 2b3w n SER 30 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2b3w n ASN 31 N -1.65 0.72 -1.09 -3.46 0.23 -1.26 -2.34 115.26 106.42 2b3w n ASN 31 Ca 0.14 0.62 0.11 0.00 -0.53 0.00 0.00 54.58 54.92 2b3w n ASN 31 Cb 0.47 -0.80 0.27 0.00 -2.08 0.00 0.00 39.78 37.64 2b3w n ASN 31 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2b3w n PHE 32 N -2.24 0.66 -2.28 -2.53 7.35 -1.26 -4.18 117.46 112.99 2b3w n PHE 32 Ca 0.04 -0.33 -0.41 0.00 -0.76 0.00 0.00 57.45 55.98 2b3w n PHE 32 Cb 0.32 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.12 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 -1.34 3.48 -1.47 3.13 0.00 -0.99 -4.90 121.76 119.67 2b3w s ALA 33 Ca 0.40 1.06 -0.10 0.00 0.00 0.00 0.00 51.96 53.31 2b3w s ALA 33 Cb 0.22 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.92 2b3w s ALA 33 CO 0.29 -0.46 2.48 0.00 0.00 0.00 0.00 175.76 178.07 2b3w n ALA 34 N 2.16 6.50 -3.24 0.00 0.00 -1.26 -4.59 120.51 120.07 2b3w n ALA 34 Ca 0.04 -3.85 -0.36 0.00 0.00 0.00 0.00 53.44 49.27 2b3w n ALA 34 Cb 0.43 -3.27 -0.13 0.00 0.00 0.00 0.00 19.45 16.48 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 1.66 3.03 0.26 0.00 0.52 -1.22 -4.96 118.94 118.24 2b3w s TRP 35 Ca 0.56 -0.63 -0.31 0.00 0.02 0.00 0.00 56.10 55.74 2b3w s TRP 35 Cb 0.16 -2.16 -0.11 0.00 -1.15 0.00 0.00 33.47 30.21 2b3w s TRP 35 CO -0.07 -0.41 1.63 -2.14 0.02 0.00 0.00 176.95 175.99 2b3w s PRO 36 N 1.44 4.12 0.09 4.98 0.02 -1.19 -4.03 135.00 140.43 2b3w s PRO 36 Ca 0.05 2.58 0.10 0.00 0.02 0.00 0.00 61.00 63.75 2b3w s PRO 36 Cb -0.15 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 2b3w s PRO 36 CO 0.01 -0.67 -0.24 0.96 -0.33 0.00 0.00 177.00 176.73 2b3w s ILE 37 N 0.38 2.41 -0.48 2.83 -4.36 -0.23 -4.82 121.20 116.93 2b3w s ILE 37 Ca 0.67 -1.54 -0.07 0.00 -0.26 0.00 0.00 60.65 59.45 2b3w s ILE 37 Cb -0.48 -2.04 0.13 0.00 1.25 0.00 0.00 42.46 41.32 2b3w s ILE 37 CO 0.43 0.20 0.33 -0.75 0.24 0.00 0.00 174.94 175.38 2b3w s LYS 38 N -1.78 2.39 -0.16 0.37 2.47 -1.26 -1.27 119.74 120.49 2b3w s LYS 38 Ca 0.14 -1.89 0.01 0.00 -1.56 0.00 0.00 55.97 52.67 2b3w s LYS 38 Cb -0.10 -3.82 0.02 0.00 -1.46 0.00 0.00 37.83 32.46 2b3w s LYS 38 CO 0.06 -1.16 -0.18 0.08 0.16 0.00 0.00 175.35 174.31 2b3w s VAL 39 N 1.10 1.84 -1.75 4.02 1.01 0.50 -4.66 120.40 122.47 2b3w s VAL 39 Ca 0.08 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2b3w s VAL 39 Cb -0.24 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2b3w s VAL 39 CO -0.02 0.50 0.00 0.47 0.00 0.00 0.00 175.10 176.05 2b3w n ASP 40 N 4.65 -5.52 0.00 3.32 8.00 -1.26 -0.58 116.55 125.16 2b3w n ASP 40 Ca -0.19 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.40 2b3w n ASP 40 Cb 0.50 -4.59 0.00 0.00 -0.02 0.00 0.00 41.12 37.01 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 -0.93 0.90 3.77 0.44 0.00 -1.26 -5.03 105.19 103.08 2b3w n GLY 41 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.17 3.06 -0.38 1.61 1.02 0.26 -5.08 119.74 120.06 2b3w s LYS 42 Ca 0.00 -0.46 -0.10 0.00 0.02 0.00 0.00 55.97 55.42 2b3w s LYS 42 Cb 0.00 -2.86 0.04 0.00 -0.52 0.00 0.00 37.83 34.49 2b3w s LYS 42 CO 0.00 0.66 0.21 0.99 -0.92 0.00 0.00 175.35 176.29 2b3w s THR 43 N -1.14 4.44 -0.04 2.17 2.01 -1.26 -0.37 115.64 121.45 2b3w s THR 43 Ca 0.21 -0.99 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 2b3w s THR 43 Cb -0.12 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 2b3w s THR 43 CO 0.12 -0.29 0.12 0.26 -0.69 0.00 0.00 174.62 174.14 2b3w s TRP 44 N 1.52 3.44 0.51 4.92 0.52 -0.39 -4.94 118.94 124.51 2b3w s TRP 44 Ca 0.02 0.34 0.16 0.00 0.02 0.00 0.00 56.10 56.64 2b3w s TRP 44 Cb -0.20 -1.82 1.24 0.00 -1.15 0.00 0.00 33.47 31.54 2b3w s TRP 44 CO 0.05 0.62 2.12 -1.35 0.02 0.00 0.00 176.95 178.42 2b3w h PRO 45 N 4.31 0.06 0.00 4.98 0.11 -1.88 -0.58 132.00 139.00 2b3w h PRO 45 Ca -0.51 -0.00 0.21 0.00 0.11 0.00 0.00 66.00 65.81 2b3w h PRO 45 Cb 1.20 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2b3w h PRO 45 CO 0.63 0.04 0.68 -2.37 -0.21 0.00 0.00 178.00 176.77 2b3w n THR 46 N -4.51 0.00 -0.19 -1.15 5.66 -1.26 -3.18 114.28 109.66 2b3w n THR 46 Ca -0.01 -0.46 -0.09 0.00 -3.05 0.00 0.00 64.05 60.45 2b3w n THR 46 Cb 0.16 0.73 0.03 0.00 -1.55 0.00 0.00 70.33 69.70 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 1.99 1.02 -0.23 1.09 0.02 -1.81 -3.13 113.55 112.50 2b3w h SER 47 Ca -0.26 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 60.34 2b3w h SER 47 Cb 1.20 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 2b3w h SER 47 CO 0.35 1.10 0.04 1.05 -1.14 0.00 0.00 176.83 178.23 2b3w h GLU 48 N 0.93 0.48 -0.77 3.45 9.09 -1.96 -2.28 114.58 123.53 2b3w h GLU 48 Ca 0.16 -0.09 0.08 0.00 0.05 0.00 0.00 59.36 59.56 2b3w h GLU 48 Cb 0.61 -0.08 -0.06 0.00 -1.65 0.00 0.00 28.75 27.57 2b3w h GLU 48 CO 0.04 0.48 0.44 0.45 0.05 0.00 0.00 179.01 180.47 2b3w h HIS 49 N 0.47 0.80 -0.27 2.06 3.86 -1.92 0.48 115.15 120.62 2b3w h HIS 49 Ca 0.11 0.03 -0.19 0.00 -1.16 0.00 0.00 60.37 59.16 2b3w h HIS 49 Cb 0.25 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.48 2b3w h HIS 49 CO 0.01 0.36 -0.57 -0.92 0.86 0.00 0.00 177.93 177.67 2b3w h TYR 50 N 0.77 1.07 -0.81 2.45 3.20 -1.57 0.61 116.97 122.68 2b3w h TYR 50 Ca 0.35 -0.39 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 2b3w h TYR 50 Cb 0.27 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 2b3w h TYR 50 CO -0.07 1.22 0.50 0.35 -1.64 0.00 0.00 178.16 178.52 2b3w h PHE 51 N 0.65 1.06 -0.07 -3.82 3.57 -0.81 0.32 116.94 117.83 2b3w h PHE 51 Ca 0.01 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 2b3w h PHE 51 Cb 1.17 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2b3w h PHE 51 CO 0.07 0.70 -0.25 1.96 -2.23 0.00 0.00 178.31 178.55 2b3w h GLN 52 N 1.11 0.29 -0.72 1.11 1.08 0.03 -1.35 115.11 116.66 2b3w h GLN 52 Ca 0.29 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2b3w h GLN 52 Cb -0.06 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 2b3w h GLN 52 CO -0.06 0.86 0.41 0.00 -0.95 0.00 0.00 178.83 179.09 2b3w h ALA 53 N 0.44 0.92 0.00 3.87 0.00 -0.49 -2.44 119.26 121.57 2b3w h ALA 53 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2b3w h ALA 53 Cb 0.89 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2b3w h ALA 53 CO 0.05 0.42 -0.33 0.94 0.00 0.00 0.00 179.25 180.34 2b3w n GLN 54 N -4.49 0.21 0.14 0.00 -0.06 0.11 -3.56 117.38 109.73 2b3w n GLN 54 Ca 0.06 0.11 -0.14 0.00 -2.00 0.00 0.00 57.00 55.03 2b3w n GLN 54 Cb 0.08 -1.68 -0.08 0.00 -4.06 0.00 0.00 30.24 24.50 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 -0.32 -7.33 3.69 3.64 -0.74 -3.45 116.57 112.05 2b3w h LYS 55 Ca 0.00 0.02 -0.51 0.00 -1.27 0.00 0.00 60.65 58.89 2b3w h LYS 55 Cb 0.68 0.07 0.06 0.00 -0.41 0.00 0.00 32.23 32.64 2b3w h LYS 55 CO 0.00 -0.07 0.39 -0.06 -2.27 0.00 0.00 179.45 177.44 2b3w s PHE 56 N -5.23 3.61 -0.17 1.91 0.08 -1.13 -4.28 117.98 112.77 2b3w s PHE 56 Ca -0.15 1.24 0.18 0.00 0.12 0.00 0.00 56.93 58.32 2b3w s PHE 56 Cb 0.03 -2.70 -0.25 0.00 -0.57 0.00 0.00 43.02 39.53 2b3w s PHE 56 CO 0.60 -0.68 0.18 1.28 -0.10 0.00 0.00 175.22 176.51 2b3w n LEU 57 N -2.72 0.10 -4.67 -0.37 4.32 -1.26 -4.94 117.00 107.47 2b3w n LEU 57 Ca 0.06 0.05 -0.43 0.00 -0.02 0.00 0.00 56.01 55.66 2b3w n LEU 57 Cb 0.54 0.41 -0.03 0.00 -1.62 0.00 0.00 43.42 42.72 2b3w n LEU 57 CO 0.58 0.43 1.57 0.47 -1.22 0.00 0.00 177.39 179.21 2b3w n ASP 58 N -2.73 4.01 -0.07 -1.43 9.92 -1.26 -4.87 116.55 120.12 2b3w n ASP 58 Ca -0.28 0.93 -0.09 0.00 -0.53 0.00 0.00 54.79 54.82 2b3w n ASP 58 Cb 1.08 -1.50 0.07 0.00 -0.64 0.00 0.00 41.12 40.14 2b3w n ASP 58 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2b3w h GLU 59 N 10.10 0.74 -0.67 -1.24 4.81 -1.97 -0.71 114.58 125.63 2b3w h GLU 59 Ca -0.49 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.39 2b3w h GLU 59 Cb 1.25 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 2b3w h GLU 59 CO 0.94 0.95 0.39 0.87 -0.73 0.00 0.00 179.01 181.43 2b3w h LYS 60 N 0.62 0.93 -0.08 1.92 1.79 -1.98 0.31 116.57 120.08 2b3w h LYS 60 Ca 0.07 -0.10 -0.21 0.00 -2.18 0.00 0.00 60.65 58.23 2b3w h LYS 60 Cb 0.84 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2b3w h LYS 60 CO 0.07 0.68 -0.82 -0.92 -1.08 0.00 0.00 179.45 177.39 2b3w h TYR 61 N 0.92 0.79 -0.71 -1.35 5.03 -1.93 -1.23 116.97 118.49 2b3w h TYR 61 Ca 0.24 -0.37 -0.03 0.00 2.58 0.00 0.00 58.73 61.15 2b3w h TYR 61 Cb 0.01 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.14 2b3w h TYR 61 CO -0.01 1.17 0.33 -0.09 -1.32 0.00 0.00 178.16 178.24 2b3w h ARG 62 N 0.37 1.04 0.00 1.82 2.43 -0.79 -0.01 114.38 119.24 2b3w h ARG 62 Ca -0.06 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 58.87 2b3w h ARG 62 Cb 1.43 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 2b3w h ARG 62 CO 0.15 0.82 -0.38 1.49 -1.51 0.00 0.00 179.97 180.54 2b3w h GLU 63 N 1.00 0.00 -0.47 0.20 4.81 -0.33 -1.43 114.58 118.36 2b3w h GLU 63 Ca 0.24 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.35 2b3w h GLU 63 Cb 0.14 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2b3w h GLU 63 CO -0.03 0.38 -0.19 1.49 -0.73 0.00 0.00 179.01 179.93 2b3w h GLU 64 N 0.00 0.97 0.00 1.92 4.81 -0.36 -2.28 114.58 119.63 2b3w h GLU 64 Ca -0.00 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2b3w h GLU 64 Cb 0.85 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2b3w h GLU 64 CO 0.05 1.08 0.00 0.82 -0.73 0.00 0.00 179.01 180.23 2b3w h ILE 65 N 0.82 0.00 0.00 2.32 2.04 -0.63 -1.12 117.51 120.94 2b3w h ILE 65 Ca 0.11 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 2b3w h ILE 65 Cb 0.77 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2b3w h ILE 65 CO 0.06 0.00 -0.36 -0.09 0.00 0.00 0.00 178.15 177.76 2b3w h ARG 66 N 0.00 0.00 -0.10 2.37 2.43 -0.74 -3.19 114.38 115.15 2b3w h ARG 66 Ca 0.00 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 2b3w h ARG 66 Cb 0.55 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2b3w h ARG 66 CO 0.00 0.36 -0.73 0.00 -1.51 0.00 0.00 179.97 178.09 2b3w h ARG 67 N 0.00 0.49 -6.32 0.20 2.47 -0.67 -3.45 114.38 107.11 2b3w h ARG 67 Ca -0.00 -0.40 -0.55 0.00 -1.26 0.00 0.00 59.98 57.77 2b3w h ARG 67 Cb 1.04 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 29.43 2b3w h ARG 67 CO 0.05 1.03 0.70 0.54 0.56 0.00 0.00 179.97 182.84 2b3w s VAL 68 N -3.66 4.25 -0.13 2.04 0.11 -1.13 -4.91 120.40 116.97 2b3w s VAL 68 Ca -0.07 1.57 -0.03 0.00 -2.93 0.00 0.00 61.98 60.52 2b3w s VAL 68 Cb 0.10 -4.01 -0.25 0.00 -1.53 0.00 0.00 36.38 30.69 2b3w s VAL 68 CO 0.85 0.00 0.33 -1.54 -3.33 0.00 0.00 175.10 171.42 2b3w n SER 69 N 5.16 1.95 -4.67 3.54 3.41 -1.26 -4.90 113.62 116.85 2b3w n SER 69 Ca 0.11 0.19 -0.43 0.00 -0.26 0.00 0.00 58.87 58.49 2b3w n SER 69 Cb 0.46 -0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 63.68 2b3w n SER 69 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2b3w s SER 70 N -6.87 6.87 0.21 4.04 0.01 -1.26 -4.91 113.70 111.79 2b3w s SER 70 Ca -0.22 1.89 -0.09 0.00 1.31 0.00 0.00 55.95 58.84 2b3w s SER 70 Cb 0.07 -2.54 0.30 0.00 0.21 0.00 0.00 66.02 64.06 2b3w s SER 70 CO 0.76 -0.79 1.72 -0.65 0.41 0.00 0.00 173.24 174.69 2b3w h PRO 71 N 8.44 0.31 -0.10 12.44 0.11 -1.97 -2.31 132.00 148.91 2b3w h PRO 71 Ca -0.32 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.73 2b3w h PRO 71 Cb 1.14 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2b3w h PRO 71 CO 0.95 0.20 -0.13 0.52 -0.21 0.00 0.00 178.00 179.34 2b3w h MET 72 N 0.32 0.16 0.00 1.05 2.86 -1.98 -1.48 114.93 115.86 2b3w h MET 72 Ca 0.32 -0.03 -0.19 0.00 -2.06 0.00 0.00 59.70 57.73 2b3w h MET 72 Cb 0.45 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2b3w h MET 72 CO -0.37 0.30 -0.86 0.28 1.06 0.00 0.00 176.91 177.32 2b3w h VAL 73 N 0.15 1.51 -0.64 -2.22 2.07 -1.84 -1.36 116.25 113.92 2b3w h VAL 73 Ca 0.03 -2.63 -0.02 0.00 0.82 0.00 0.00 66.70 64.90 2b3w h VAL 73 Cb 0.33 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 2b3w h VAL 73 CO 0.02 0.76 0.31 0.00 0.02 0.00 0.00 177.57 178.69 2b3w h ALA 74 N 1.02 0.82 -0.52 1.67 0.00 -0.83 0.04 119.26 121.45 2b3w h ALA 74 Ca -0.04 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2b3w h ALA 74 Cb 1.48 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2b3w h ALA 74 CO 0.13 0.38 -0.12 0.00 0.00 0.00 0.00 179.25 179.63 2b3w h ALA 75 N 1.14 0.79 -0.52 0.00 0.00 -1.39 -2.90 119.26 116.38 2b3w h ALA 75 Ca 0.22 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2b3w h ALA 75 Cb 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2b3w h ALA 75 CO -0.03 0.67 0.35 -0.09 0.00 0.00 0.00 179.25 180.14 2b3w h ARG 76 N 0.88 0.58 0.39 0.00 1.12 -0.50 0.22 114.38 117.08 2b3w h ARG 76 Ca 0.13 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.95 2b3w h ARG 76 Cb 0.68 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.52 2b3w h ARG 76 CO 0.05 0.39 -0.19 0.52 -3.11 0.00 0.00 179.97 177.63 2b3w h MET 77 N 0.60 -0.51 -0.31 0.20 2.86 -0.83 -3.16 114.93 113.78 2b3w h MET 77 Ca 0.21 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2b3w h MET 77 Cb 0.09 0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.86 2b3w h MET 77 CO -0.05 -0.22 0.00 0.41 1.06 0.00 0.00 176.91 178.10 2b3w n GLY 78 N -0.66 0.23 0.16 8.32 0.00 -0.90 -3.45 105.19 108.89 2b3w n GLY 78 Ca -0.10 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.83 2b3w n GLY 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2b3w h ARG 79 N 1.13 0.00 -4.76 1.61 9.65 -0.54 -3.40 114.38 118.07 2b3w h ARG 79 Ca 0.00 0.00 -0.68 0.00 -1.10 0.00 0.00 59.98 58.20 2b3w h ARG 79 Cb 0.36 0.00 -0.25 0.00 -1.39 0.00 0.00 29.97 28.69 2b3w h ARG 79 CO 0.02 0.00 -0.59 0.34 2.80 0.00 0.00 179.97 182.54 2b3w s ASP 80 N -4.52 5.30 -0.33 -3.80 2.15 -1.22 -4.95 116.67 109.29 2b3w s ASP 80 Ca 0.03 -0.74 0.09 0.00 0.43 0.00 0.00 52.55 52.37 2b3w s ASP 80 Cb 0.09 -1.92 0.73 0.00 -0.30 0.00 0.00 42.92 41.52 2b3w s ASP 80 CO 0.41 -0.23 1.80 -2.11 -0.17 0.00 0.00 175.17 174.88 2b3w n ARG 81 N 4.90 3.49 0.00 4.34 1.85 -1.26 -4.12 116.66 125.86 2b3w n ARG 81 Ca -0.14 -3.09 0.14 0.00 -1.00 0.00 0.00 57.85 53.76 2b3w n ARG 81 Cb 0.48 -2.19 0.58 0.00 -1.05 0.00 0.00 32.46 30.28 2b3w n ARG 81 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2b3w n SER 82 N -0.31 0.05 -4.89 2.89 7.64 -1.26 -4.80 113.62 112.94 2b3w n SER 82 Ca 0.42 0.41 -0.29 0.00 1.01 0.00 0.00 58.87 60.42 2b3w n SER 82 Cb 1.40 -0.42 0.06 0.00 -1.01 0.00 0.00 64.21 64.24 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 -3.00 2.58 -0.32 1.43 -0.14 -1.26 -4.93 119.74 114.10 2b3w s LYS 83 Ca 0.14 0.31 -0.30 0.00 -1.36 0.00 0.00 55.97 54.75 2b3w s LYS 83 Cb 0.19 -2.02 -0.08 0.00 -1.68 0.00 0.00 37.83 34.24 2b3w s LYS 83 CO 0.55 -1.18 2.26 -2.30 -0.76 0.00 0.00 175.35 173.91 2b3w n PRO 84 N -3.07 1.48 -3.46 -1.68 -0.02 -1.26 -4.96 135.00 122.03 2b3w n PRO 84 Ca 0.07 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 2b3w n PRO 84 Cb 0.58 -2.96 -0.05 0.00 -0.02 0.00 0.00 33.50 31.06 2b3w n PRO 84 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2b3w s LEU 85 N 8.56 4.22 0.35 2.45 1.43 -1.26 -4.05 118.68 130.39 2b3w s LEU 85 Ca 1.05 0.88 -0.17 0.00 -1.03 0.00 0.00 54.13 54.86 2b3w s LEU 85 Cb -0.52 -3.50 -0.10 0.00 0.03 0.00 0.00 46.19 42.10 2b3w s LEU 85 CO 0.39 -0.01 0.79 0.00 0.23 0.00 0.00 176.35 177.76 2b3w s ARG 86 N -2.59 4.06 0.34 1.70 1.70 -1.26 -4.97 118.95 117.93 2b3w s ARG 86 Ca 0.44 0.79 0.18 0.00 -0.47 0.00 0.00 55.73 56.66 2b3w s ARG 86 Cb -0.12 -2.36 0.46 0.00 -0.57 0.00 0.00 34.95 32.35 2b3w s ARG 86 CO 0.21 0.11 1.63 0.87 -1.08 0.00 0.00 175.30 177.03 2b3w h LYS 87 N 2.16 0.00 -0.41 3.89 1.57 -1.97 -2.94 116.57 118.87 2b3w h LYS 87 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2b3w h LYS 87 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2b3w h LYS 87 CO 0.64 0.42 0.00 0.09 -0.57 0.00 0.00 179.45 180.03 2b3w n ASN 88 N -3.39 2.18 -0.11 0.86 3.02 -1.26 -4.44 115.26 112.12 2b3w n ASN 88 Ca 0.01 -2.00 -0.06 0.00 -0.03 0.00 0.00 54.58 52.50 2b3w n ASN 88 Cb 0.59 -0.27 0.02 0.00 -0.61 0.00 0.00 39.78 39.52 2b3w n ASN 88 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 2b3w h TRP 89 N 2.39 0.21 0.00 3.10 -0.00 -1.92 0.93 115.95 120.66 2b3w h TRP 89 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 2b3w h TRP 89 Cb 0.55 -0.04 0.00 0.00 -0.00 0.00 0.00 29.16 29.67 2b3w h TRP 89 CO 0.27 0.07 0.00 0.93 -0.00 0.00 0.00 178.44 179.72 2b3w h GLU 90 N 0.27 0.00 0.00 2.65 5.08 -1.85 0.20 114.58 120.94 2b3w h GLU 90 Ca 0.18 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.17 2b3w h GLU 90 Cb 0.17 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 2b3w h GLU 90 CO -0.20 0.00 -2.37 0.43 -1.00 0.00 0.00 179.01 175.88 2b3w n SER 91 N -2.53 0.12 -0.62 1.42 7.64 -0.34 -4.25 113.62 115.06 2b3w n SER 91 Ca 0.00 0.01 0.13 0.00 1.01 0.00 0.00 58.87 60.03 2b3w n SER 91 Cb 0.18 0.89 0.40 0.00 -1.01 0.00 0.00 64.21 64.67 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 -2.78 0.00 0.24 0.44 0.24 0.18 -4.32 118.33 112.33 2b3w n VAL 92 Ca -0.33 -0.32 -0.16 0.00 -2.04 0.00 0.00 64.34 61.48 2b3w n VAL 92 Cb 1.15 0.80 -0.08 0.00 -1.47 0.00 0.00 33.84 34.23 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 3.04 -0.81 -0.67 7.34 3.64 -1.14 0.48 116.57 128.44 2b3w h LYS 93 Ca 0.00 0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2b3w h LYS 93 Cb 0.65 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 2b3w h LYS 93 CO 0.00 -0.54 0.16 0.93 -2.27 0.00 0.00 179.45 177.73 2b3w h GLU 94 N -0.84 1.08 0.31 1.90 3.07 -1.85 -2.71 114.58 115.53 2b3w h GLU 94 Ca -0.03 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.36 58.55 2b3w h GLU 94 Cb 0.75 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2b3w h GLU 94 CO -0.08 0.96 -0.15 0.37 -1.40 0.00 0.00 179.01 178.72 2b3w h GLN 95 N 1.01 -0.40 -0.07 2.33 4.15 -1.65 -0.99 115.11 119.49 2b3w h GLN 95 Ca 0.21 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.66 2b3w h GLN 95 Cb 0.37 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 2b3w h GLN 95 CO 0.00 -0.15 0.05 0.28 -1.93 0.00 0.00 178.83 177.08 2b3w h VAL 96 N -0.59 1.03 -0.56 2.39 2.07 -0.11 -0.40 116.25 120.08 2b3w h VAL 96 Ca -0.04 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 2b3w h VAL 96 Cb 0.43 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2b3w h VAL 96 CO 0.07 0.02 -0.01 -0.03 0.02 0.00 0.00 177.57 177.65 2b3w h MET 97 N 0.09 0.98 0.00 1.57 4.05 -1.48 -1.34 114.93 118.80 2b3w h MET 97 Ca 0.03 -0.30 -0.04 0.00 -0.28 0.00 0.00 59.70 59.11 2b3w h MET 97 Cb -0.00 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 2b3w h MET 97 CO -0.01 0.97 -0.18 0.00 0.23 0.00 0.00 176.91 177.92 2b3w h ARG 98 N 0.90 0.00 -0.16 0.39 3.08 -1.04 0.11 114.38 117.66 2b3w h ARG 98 Ca 0.16 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.01 2b3w h ARG 98 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2b3w h ARG 98 CO 0.03 0.18 -0.72 -0.22 -1.07 0.00 0.00 179.97 178.17 2b3w h LYS 99 N 0.00 0.69 -0.20 0.04 3.64 -0.19 0.18 116.57 120.73 2b3w h LYS 99 Ca -0.00 -0.53 -0.15 0.00 -1.27 0.00 0.00 60.65 58.70 2b3w h LYS 99 Cb 0.81 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 2b3w h LYS 99 CO 0.02 1.15 -0.46 0.00 -2.27 0.00 0.00 179.45 177.90 2b3w h ALA 100 N 0.71 0.32 -0.57 5.00 0.00 -1.05 -2.54 119.26 121.13 2b3w h ALA 100 Ca -0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2b3w h ALA 100 Cb 1.32 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2b3w h ALA 100 CO 0.14 0.47 0.23 -0.07 0.00 0.00 0.00 179.25 180.03 2b3w h LEU 101 N 0.36 0.78 -0.19 0.00 3.38 -0.97 -2.47 115.31 116.19 2b3w h LEU 101 Ca -0.00 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 57.86 2b3w h LEU 101 Cb 1.07 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 2b3w h LEU 101 CO 0.10 0.73 -0.23 -0.09 0.09 0.00 0.00 178.44 179.05 2b3w h ARG 102 N 0.78 -0.24 -0.73 1.13 2.43 -0.63 -2.47 114.38 114.64 2b3w h ARG 102 Ca 0.19 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.46 2b3w h ARG 102 Cb 0.19 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 2b3w h ARG 102 CO -0.02 -0.16 0.39 0.00 -1.51 0.00 0.00 179.97 178.67 2b3w h ALA 103 N 0.77 1.00 0.19 2.80 0.00 -1.15 0.54 119.26 123.41 2b3w h ALA 103 Ca 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2b3w h ALA 103 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2b3w h ALA 103 CO -0.34 0.02 -0.09 -0.22 0.00 0.00 0.00 179.25 178.62 2b3w h LYS 104 N 0.67 -0.24 0.00 0.00 3.64 -1.05 -0.49 116.57 119.10 2b3w h LYS 104 Ca 0.35 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.59 2b3w h LYS 104 Cb 0.32 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2b3w h LYS 104 CO -0.24 -0.04 -0.75 0.74 -2.27 0.00 0.00 179.45 176.89 2b3w h PHE 105 N -0.40 0.00 0.09 1.91 0.04 -1.17 -3.06 116.94 114.35 2b3w h PHE 105 Ca -0.03 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.62 2b3w h PHE 105 Cb 0.31 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.47 2b3w h PHE 105 CO -0.02 0.75 -0.55 1.49 -0.60 0.00 0.00 178.31 179.38 2b3w h GLU 106 N 0.00 0.21 -0.53 1.51 4.22 0.14 -3.09 114.58 117.05 2b3w h GLU 106 Ca -0.01 -0.35 -0.10 0.00 0.08 0.00 0.00 59.36 58.98 2b3w h GLU 106 Cb 1.44 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.80 2b3w h GLU 106 CO 0.10 1.16 -0.07 1.96 -2.18 0.00 0.00 179.01 179.97 2b3w h GLN 107 N -0.54 0.96 -4.16 1.92 1.08 -1.21 -3.37 115.11 109.79 2b3w h GLN 107 Ca -0.09 -0.32 -0.75 0.00 -1.45 0.00 0.00 58.65 56.03 2b3w h GLN 107 Cb 1.42 -0.08 -0.25 0.00 -0.05 0.00 0.00 27.48 28.52 2b3w h GLN 107 CO 0.10 0.99 -0.27 -1.01 -0.95 0.00 0.00 178.83 177.69 2b3w s HIS 108 N -4.89 3.30 0.54 2.96 3.76 -1.16 -4.91 115.29 114.89 2b3w s HIS 108 Ca -0.11 -1.44 0.36 0.00 -0.15 0.00 0.00 55.06 53.72 2b3w s HIS 108 Cb 0.14 -3.68 1.95 0.00 1.11 0.00 0.00 32.58 32.09 2b3w s HIS 108 CO 0.85 -1.00 2.24 0.00 -0.85 0.00 0.00 174.74 175.98 2b3w h ALA 109 N 8.76 1.22 -0.21 -1.40 0.00 -1.73 -1.21 119.26 124.69 2b3w h ALA 109 Ca -0.27 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.65 2b3w h ALA 109 Cb 1.09 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2b3w h ALA 109 CO 0.98 0.03 -0.01 0.93 0.00 0.00 0.00 179.25 181.18 2b3w h GLU 110 N 0.00 0.05 -0.03 0.00 3.07 -1.91 -0.70 114.58 115.06 2b3w h GLU 110 Ca -0.00 -0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.67 2b3w h GLU 110 Cb 0.12 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2b3w h GLU 110 CO 0.00 0.03 -0.81 -0.07 -1.40 0.00 0.00 179.01 176.77 2b3w h LEU 111 N 0.05 0.37 -0.20 1.33 3.38 -1.52 -2.48 115.31 116.24 2b3w h LEU 111 Ca 0.10 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.85 2b3w h LEU 111 Cb 0.13 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2b3w h LEU 111 CO -0.18 1.03 -0.12 -0.09 0.09 0.00 0.00 178.44 179.17 2b3w h ARG 112 N 0.19 -0.11 -0.34 1.13 2.43 -1.03 0.25 114.38 116.89 2b3w h ARG 112 Ca -0.04 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 2b3w h ARG 112 Cb 1.40 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 2b3w h ARG 112 CO 0.13 -0.07 -0.24 0.00 -1.51 0.00 0.00 179.97 178.28 2b3w h ALA 113 N 1.04 0.94 -0.61 2.80 0.00 -1.11 -2.38 119.26 119.93 2b3w h ALA 113 Ca 0.11 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 2b3w h ALA 113 Cb 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2b3w h ALA 113 CO -0.27 0.61 0.09 1.25 0.00 0.00 0.00 179.25 180.94 2b3w h LEU 114 N 0.60 0.97 -1.31 0.00 5.85 -0.92 0.05 115.31 120.55 2b3w h LEU 114 Ca 0.08 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 2b3w h LEU 114 Cb 0.72 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2b3w h LEU 114 CO 0.06 0.99 -0.02 0.25 -0.34 0.00 0.00 178.44 179.37 2b3w h LEU 115 N 0.92 0.40 0.00 2.25 5.85 -0.36 -1.07 115.31 123.30 2b3w h LEU 115 Ca 0.18 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2b3w h LEU 115 Cb 0.43 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2b3w h LEU 115 CO 0.01 0.49 -0.09 0.18 -0.34 0.00 0.00 178.44 178.69 2b3w n LEU 116 N -4.29 0.83 0.01 2.25 4.77 -0.91 -3.56 117.00 116.10 2b3w n LEU 116 Ca 0.01 0.53 -0.09 0.00 -0.03 0.00 0.00 56.01 56.43 2b3w n LEU 116 Cb 0.24 -0.29 -0.13 0.00 -2.33 0.00 0.00 43.42 40.90 2b3w n LEU 116 CO 0.38 -0.17 -0.33 0.00 -1.33 0.00 0.00 177.39 175.95 2b3w h ALA 117 N 2.50 0.62 0.00 -1.18 0.00 0.21 -3.31 119.26 118.10 2b3w h ALA 117 Ca 0.00 -1.29 -0.08 0.00 0.00 0.00 0.00 54.91 53.55 2b3w h ALA 117 Cb 0.75 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2b3w h ALA 117 CO 0.00 1.46 -0.37 1.79 0.00 0.00 0.00 179.25 182.14 2b3w h THR 118 N 0.00 0.85 -1.07 0.00 1.35 -1.35 -3.44 112.91 109.26 2b3w h THR 118 Ca -0.21 -1.51 -0.75 0.00 -0.55 0.00 0.00 66.41 63.40 2b3w h THR 118 Cb 1.94 1.93 0.07 0.00 -1.73 0.00 0.00 68.15 70.36 2b3w h THR 118 CO 0.10 0.36 -0.06 0.00 -0.25 0.00 0.00 175.52 175.67 2b3w n ALA 119 N -2.29 -3.25 -1.27 6.62 0.00 -1.24 0.18 120.51 119.27 2b3w n ALA 119 Ca -0.00 0.55 -0.24 0.00 0.00 0.00 0.00 53.44 53.75 2b3w n ALA 119 Cb 0.51 -1.75 0.17 0.00 0.00 0.00 0.00 19.45 18.38 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 1.43 2.28 -1.77 0.00 -0.04 -1.26 -4.73 135.00 130.90 2b3w n PRO 120 Ca 0.19 -3.07 -0.40 0.00 -0.04 0.00 0.00 63.50 60.18 2b3w n PRO 120 Cb 0.13 -2.17 0.01 0.00 -0.04 0.00 0.00 33.50 31.44 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 -3.36 3.36 -0.38 0.55 0.00 0.13 -4.70 121.76 117.35 2b3w s ALA 121 Ca 0.57 1.53 -0.25 0.00 0.00 0.00 0.00 51.96 53.81 2b3w s ALA 121 Cb 0.48 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 20.00 2b3w s ALA 121 CO 0.09 -1.19 0.91 0.21 0.00 0.00 0.00 175.76 175.78 2b3w s LYS 122 N -2.35 3.80 -0.31 0.00 2.20 0.87 -4.90 119.74 119.04 2b3w s LYS 122 Ca 0.59 0.50 -0.28 0.00 -0.36 0.00 0.00 55.97 56.41 2b3w s LYS 122 Cb -0.45 -3.82 0.01 0.00 -1.51 0.00 0.00 37.83 32.06 2b3w s LYS 122 CO 0.60 -0.96 1.01 -0.51 -0.36 0.00 0.00 175.35 175.12 2b3w s LEU 123 N 3.45 3.98 -0.15 5.43 1.43 -1.26 -1.33 118.68 130.24 2b3w s LEU 123 Ca 0.37 0.99 -0.00 0.00 -1.03 0.00 0.00 54.13 54.46 2b3w s LEU 123 Cb -0.12 -3.44 0.04 0.00 0.03 0.00 0.00 46.19 42.70 2b3w s LEU 123 CO 0.19 -0.80 -0.06 -0.69 0.23 0.00 0.00 176.35 175.21 2b3w s VAL 124 N 3.46 1.12 -0.11 -1.59 1.01 -0.61 -4.26 120.40 119.42 2b3w s VAL 124 Ca 0.42 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 2b3w s VAL 124 Cb -0.13 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 2b3w s VAL 124 CO 0.14 0.21 0.64 -0.70 0.00 0.00 0.00 175.10 175.39 2b3w s GLU 125 N 1.64 4.37 -1.14 2.72 2.12 -1.26 -1.03 118.70 126.12 2b3w s GLU 125 Ca 0.02 0.74 -0.09 0.00 0.36 0.00 0.00 54.97 56.00 2b3w s GLU 125 Cb -0.14 -3.48 0.25 0.00 0.26 0.00 0.00 34.13 31.02 2b3w s GLU 125 CO -0.08 0.01 1.32 1.58 -0.54 0.00 0.00 175.26 177.55 2b3w n HIS 126 N 4.08 4.42 -3.48 5.30 -0.00 0.32 -1.90 115.22 123.96 2b3w n HIS 126 Ca -0.02 -3.44 -0.42 0.00 -0.00 0.00 0.00 57.72 53.83 2b3w n HIS 126 Cb 0.51 -1.73 -0.08 0.00 -0.00 0.00 0.00 29.99 28.69 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 -0.89 4.55 -0.09 3.57 2.01 -1.26 -4.82 115.64 118.72 2b3w s THR 127 Ca 0.34 -1.61 -0.16 0.00 0.31 0.00 0.00 61.69 60.57 2b3w s THR 127 Cb -0.04 -3.93 -0.28 0.00 0.01 0.00 0.00 72.50 68.26 2b3w s THR 127 CO -0.02 -0.75 0.62 -0.08 -0.69 0.00 0.00 174.62 173.70 2b3w h GLU 128 N 8.59 0.27 0.25 4.92 4.81 -1.92 -1.78 114.58 129.72 2b3w h GLU 128 Ca -0.24 -0.46 -0.01 0.00 -0.13 0.00 0.00 59.36 58.51 2b3w h GLU 128 Cb 1.08 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2b3w h GLU 128 CO 0.90 1.22 -0.12 -0.97 -0.73 0.00 0.00 179.01 179.31 2b3w h ASN 129 N -0.27 -0.29 -3.22 1.04 -0.00 -1.91 -3.38 115.58 107.54 2b3w h ASN 129 Ca -0.28 -0.09 -0.74 0.00 -0.00 0.00 0.00 56.30 55.19 2b3w h ASN 129 Cb 1.78 0.07 -0.27 0.00 -0.00 0.00 0.00 38.32 39.90 2b3w h ASN 129 CO 0.09 -0.09 -0.32 -1.81 -0.00 0.00 0.00 177.43 175.29 2b3w s ASP 130 N -5.00 5.92 -1.12 1.15 1.11 -1.26 -5.01 116.67 112.46 2b3w s ASP 130 Ca -0.15 -1.81 -0.21 0.00 0.18 0.00 0.00 52.55 50.56 2b3w s ASP 130 Cb 0.04 -2.10 0.03 0.00 1.07 0.00 0.00 42.92 41.96 2b3w s ASP 130 CO 0.62 -0.75 1.66 0.00 1.18 0.00 0.00 175.17 177.88 2b3w s ALA 131 N 1.48 2.71 -0.30 5.23 0.00 -1.26 -4.64 121.76 124.98 2b3w s ALA 131 Ca 0.04 -2.39 -0.14 0.00 0.00 0.00 0.00 51.96 49.47 2b3w s ALA 131 Cb -0.27 -4.59 0.17 0.00 0.00 0.00 0.00 23.12 18.42 2b3w s ALA 131 CO 0.01 -3.82 0.98 -0.47 0.00 0.00 0.00 175.76 172.47 2b3w s TYR 132 N 5.94 -0.69 -0.06 0.00 6.14 -0.90 -4.77 117.35 123.02 2b3w s TYR 132 Ca 0.54 1.13 0.00 0.00 0.64 0.00 0.00 57.07 59.38 2b3w s TYR 132 Cb 0.01 0.39 0.00 0.00 0.42 0.00 0.00 41.96 42.77 2b3w s TYR 132 CO -0.00 -0.35 0.00 0.91 0.64 0.00 0.00 175.55 176.75 2b3w n TRP 133 N 5.03 0.00 -2.39 4.97 5.03 -0.51 -4.93 117.44 124.64 2b3w n TRP 133 Ca -0.09 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.44 2b3w n TRP 133 Cb 0.53 -0.92 0.00 0.00 -1.03 0.00 0.00 31.31 29.89 2b3w n TRP 133 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2b3w n GLY 134 N -1.31 5.49 0.04 6.99 0.00 -0.69 -4.35 105.19 111.36 2b3w n GLY 134 Ca -0.01 -1.37 0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 0.63 0.00 1.61 5.75 -0.80 -0.86 116.55 122.89 2b3w n ASP 135 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.64 2b3w n ASP 135 Cb 0.00 0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 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 1.39 0.88 1.88 6.12 0.00 -0.69 0.25 105.19 115.02 2b3w n GLY 136 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2b3w n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b3w n GLY 137 N -2.00 0.46 0.00 -0.02 0.00 -1.11 -4.41 105.19 98.11 2b3w n GLY 137 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2b3w n GLY 137 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2b3w n HIS 138 N -2.94 0.00 0.00 1.61 1.44 -1.12 -4.96 115.22 109.26 2b3w n HIS 138 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2b3w n HIS 138 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2b3w n HIS 138 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2b3w n GLY 139 N -0.14 3.74 2.47 -1.39 0.00 0.14 -5.00 105.19 105.01 2b3w n GLY 139 Ca 0.00 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 3.73 0.00 1.61 5.02 -1.23 -4.19 118.16 123.10 2b3w n LYS 140 Ca 0.00 -2.65 0.00 0.00 -2.02 0.00 0.00 58.31 53.64 2b3w n LYS 140 Cb 0.00 -2.87 0.00 0.00 -0.02 0.00 0.00 35.03 32.14 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 3.22 1.61 2.97 0.72 0.00 -1.10 -4.70 105.19 107.91 2b3w n GLY 141 Ca 0.67 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.36 -1.67 0.00 1.61 5.02 -1.14 -1.42 118.16 120.20 2b3w n LYS 142 Ca 0.00 0.99 0.05 0.00 -2.02 0.00 0.00 58.31 57.33 2b3w n LYS 142 Cb 0.26 -5.28 0.29 0.00 -0.02 0.00 0.00 35.03 30.28 2b3w n LYS 142 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2b3w n ASN 143 N -2.52 0.00 -0.07 4.39 5.15 -0.03 -2.16 115.26 120.01 2b3w n ASN 143 Ca -0.04 -0.96 0.25 0.00 -0.60 0.00 0.00 54.58 53.23 2b3w n ASN 143 Cb 0.57 0.00 0.64 0.00 -0.53 0.00 0.00 39.78 40.46 2b3w n ASN 143 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2b3w h ARG 144 N 0.00 0.00 -0.50 1.20 2.43 -1.86 0.26 114.38 115.91 2b3w h ARG 144 Ca 0.00 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 2b3w h ARG 144 Cb 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.48 2b3w h ARG 144 CO 0.00 0.00 0.12 1.25 -1.51 0.00 0.00 179.97 179.83 2b3w h LEU 145 N 0.00 0.05 -1.17 3.80 5.85 -1.76 0.42 115.31 122.50 2b3w h LEU 145 Ca 0.35 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 59.11 2b3w h LEU 145 Cb 1.91 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 43.01 2b3w h LEU 145 CO -0.00 0.06 0.16 1.23 -0.34 0.00 0.00 178.44 179.54 2b3w h GLY 146 N 0.27 0.79 1.04 3.75 0.00 -0.65 0.50 103.07 108.76 2b3w h GLY 146 Ca 0.25 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 2b3w h GLY 146 CO -0.31 0.39 -0.08 -1.82 0.00 0.00 0.00 176.54 174.72 2b3w h TYR 147 N 0.72 1.02 -0.92 5.60 3.20 -1.17 -0.69 116.97 124.74 2b3w h TYR 147 Ca 0.17 -0.21 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 2b3w h TYR 147 Cb 0.21 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 2b3w h TYR 147 CO 0.01 0.98 0.54 -0.07 -1.64 0.00 0.00 178.16 177.98 2b3w h LEU 148 N 0.77 1.12 -0.32 2.82 3.38 0.49 0.38 115.31 123.95 2b3w h LEU 148 Ca 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2b3w h LEU 148 Cb 0.63 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2b3w h LEU 148 CO 0.04 0.87 0.21 -0.07 0.09 0.00 0.00 178.44 179.58 2b3w h LEU 149 N 1.27 0.36 -0.57 1.67 3.38 -0.69 0.98 115.31 121.72 2b3w h LEU 149 Ca 0.33 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.17 2b3w h LEU 149 Cb -0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2b3w h LEU 149 CO -0.06 0.27 -0.15 0.24 0.09 0.00 0.00 178.44 178.83 2b3w h MET 150 N 0.43 0.99 -0.19 1.13 2.86 -0.32 0.95 114.93 120.78 2b3w h MET 150 Ca 0.12 -0.38 -0.15 0.00 -2.06 0.00 0.00 59.70 57.22 2b3w h MET 150 Cb -0.05 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2b3w h MET 150 CO -0.02 1.06 -0.51 1.49 1.06 0.00 0.00 176.91 179.99 2b3w h GLU 151 N 0.87 0.51 -0.38 1.72 4.81 -0.17 -1.56 114.58 120.39 2b3w h GLU 151 Ca 0.13 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 2b3w h GLU 151 Cb 0.72 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2b3w h GLU 151 CO 0.05 0.90 0.19 1.25 -0.73 0.00 0.00 179.01 180.68 2b3w h LEU 152 N 0.40 0.48 -0.86 1.64 5.85 -0.58 -2.32 115.31 119.93 2b3w h LEU 152 Ca 0.02 -0.11 0.15 0.00 0.84 0.00 0.00 57.88 58.78 2b3w h LEU 152 Cb 1.03 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 41.84 2b3w h LEU 152 CO 0.09 0.45 0.44 -0.09 -0.34 0.00 0.00 178.44 178.99 2b3w h ARG 153 N 0.47 0.60 -0.73 1.25 2.43 -0.52 0.33 114.38 118.22 2b3w h ARG 153 Ca 0.13 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2b3w h ARG 153 Cb 0.09 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 2b3w h ARG 153 CO -0.02 0.40 0.35 1.49 -1.51 0.00 0.00 179.97 180.68 2b3w h GLU 154 N 0.62 1.03 -0.13 0.20 4.81 -0.75 -0.53 114.58 119.83 2b3w h GLU 154 Ca 0.47 -0.14 -0.22 0.00 -0.13 0.00 0.00 59.36 59.35 2b3w h GLU 154 Cb 0.68 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.87 2b3w h GLU 154 CO -0.37 0.79 -0.77 1.96 -0.73 0.00 0.00 179.01 179.89 2b3w h GLN 155 N 1.03 0.70 0.00 1.92 1.08 -0.88 -3.04 115.11 115.92 2b3w h GLN 155 Ca 0.25 -0.58 -0.02 0.00 -1.45 0.00 0.00 58.65 56.85 2b3w h GLN 155 Cb 0.10 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 2b3w h GLN 155 CO -0.03 1.19 -0.12 -0.07 -0.95 0.00 0.00 178.83 178.85 2b3w h LEU 156 N 0.48 0.00 -0.40 1.46 3.38 -0.34 -0.86 115.31 119.03 2b3w h LEU 156 Ca -0.05 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 2b3w h LEU 156 Cb 1.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 2b3w h LEU 156 CO 0.15 0.12 -0.54 0.00 0.09 0.00 0.00 178.44 178.26 2b3w h ALA 157 N 1.88 0.57 -0.23 1.53 0.00 -1.04 -3.19 119.26 118.78 2b3w h ALA 157 Ca -0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 2b3w h ALA 157 Cb 0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2b3w h ALA 157 CO 0.02 0.68 -0.15 0.82 0.00 0.00 0.00 179.25 180.61 2b3w h ILE 158 N 0.57 1.22 -0.41 0.00 2.04 -1.06 0.44 117.51 120.32 2b3w h ILE 158 Ca 0.01 -1.00 0.08 0.00 1.00 0.00 0.00 64.86 64.95 2b3w h ILE 158 Cb 1.12 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 38.35 2b3w h ILE 158 CO 0.11 0.32 -0.07 -0.33 0.00 0.00 0.00 178.15 178.18 2b3w h GLU 159 N 0.36 0.03 0.00 2.37 5.08 -1.42 -0.90 114.58 120.10 2b3w h GLU 159 Ca 0.07 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2b3w h GLU 159 Cb 0.49 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2b3w h GLU 159 CO 0.03 0.02 -0.77 0.87 -1.00 0.00 0.00 179.01 178.16 2b3w h LYS 160 N 0.03 0.00 0.00 2.33 1.57 -1.60 -3.16 116.57 115.75 2b3w h LYS 160 Ca 0.20 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2b3w h LYS 160 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2b3w h LYS 160 CO -0.40 0.05 -0.15 1.25 -0.57 0.00 0.00 179.45 179.64 2b3w h LEU 161 N 0.00 0.00 0.00 2.94 5.85 -0.17 -2.37 115.31 121.56 2b3w h LEU 161 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2b3w h LEU 161 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2b3w h LEU 161 CO 0.01 0.15 0.00 -0.62 -0.34 0.00 0.00 178.44 177.63 2b3w n GLU 162 N -4.06 0.35 0.30 1.25 -0.58 -0.41 -2.97 120.64 114.52 2b3w n GLU 162 Ca -0.02 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.88 2b3w n GLU 162 Cb 0.23 -1.17 0.95 0.00 -0.57 0.00 0.00 31.44 30.88 2b3w n GLU 162 CO 0.00 0.00 0.00 1.12 -0.48 0.00 0.00 177.13 177.77 2b3w h HIS 163 N 0.00 0.00 -2.73 -0.32 2.07 -1.65 -3.37 115.15 109.15 2b3w h HIS 163 Ca 0.00 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.96 2b3w h HIS 163 Cb 0.00 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 29.94 2b3w h HIS 163 CO 0.00 0.02 1.23 -3.38 -3.07 0.00 0.00 177.93 172.72 2b3w s HIS 164 N -4.47 1.96 -0.43 6.12 -3.43 -1.16 -4.94 115.29 108.95 2b3w s HIS 164 Ca -0.05 0.65 -0.02 0.00 -0.80 0.00 0.00 55.06 54.85 2b3w s HIS 164 Cb 0.14 -4.19 0.12 0.00 -1.43 0.00 0.00 32.58 27.22 2b3w s HIS 164 CO 0.53 -2.54 0.22 -3.38 -2.00 0.00 0.00 174.74 167.56 2b3w s HIS 165 N 6.81 3.58 -0.11 0.38 -3.43 -1.26 -4.73 115.29 116.52 2b3w s HIS 165 Ca 0.71 -2.53 0.16 0.00 -0.80 0.00 0.00 55.06 52.60 2b3w s HIS 165 Cb -0.18 -3.19 0.36 0.00 -1.43 0.00 0.00 32.58 28.15 2b3w s HIS 165 CO 0.31 -0.95 1.17 1.58 -2.00 0.00 0.00 174.74 174.85 2b3w n HIS 166 N 4.39 0.00 -2.04 0.38 -0.00 -1.26 -4.94 115.22 111.75 2b3w n HIS 166 Ca -0.00 -0.98 -0.41 0.00 -0.00 0.00 0.00 57.72 56.33 2b3w n HIS 166 Cb 0.41 -0.19 -0.00 0.00 -0.00 0.00 0.00 29.99 30.21 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 -0.56 2.83 -1.62 1.57 -0.00 -1.26 -5.31 115.22 110.86 2b3w n HIS 167 Ca 0.13 -2.85 0.00 0.00 -0.00 0.00 0.00 57.72 54.99 2b3w n HIS 167 Cb 0.83 -2.04 0.00 0.00 -0.00 0.00 0.00 29.99 28.77 2b3w n HIS 167 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92