#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b3a s ILE 14 N -3.82 3.95 0.16 0.00 -1.09 -1.26 -0.60 121.20 118.54 2b3a s ILE 14 Ca 0.04 -0.31 0.08 0.00 -2.23 0.00 0.00 60.65 58.23 2b3a s ILE 14 Cb 0.02 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 38.05 2b3a s ILE 14 CO -0.11 0.40 -0.18 0.27 -1.23 0.00 0.00 174.94 174.09 2b3a s ILE 15 N 1.28 1.75 0.04 2.92 -4.36 0.33 -4.92 121.20 118.24 2b3a s ILE 15 Ca 0.04 -1.89 0.07 0.00 -0.26 0.00 0.00 60.65 58.60 2b3a s ILE 15 Cb -0.15 -1.80 -0.03 0.00 1.25 0.00 0.00 42.46 41.73 2b3a s ILE 15 CO 0.01 -0.33 -0.16 -0.60 0.24 0.00 0.00 174.94 174.11 2b3a s ARG 16 N -2.78 2.14 0.01 0.37 3.00 -0.97 -0.76 118.95 119.96 2b3a s ARG 16 Ca 0.15 -0.95 0.04 0.00 -1.00 0.00 0.00 55.73 53.96 2b3a s ARG 16 Cb -0.06 -2.24 -0.01 0.00 0.00 0.00 0.00 34.95 32.64 2b3a s ARG 16 CO 0.06 0.54 -0.11 0.08 0.00 0.00 0.00 175.30 175.87 2b3a s VAL 17 N -0.97 0.89 0.05 7.11 1.01 0.30 -1.48 120.40 127.31 2b3a s VAL 17 Ca 0.16 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2b3a s VAL 17 Cb -0.11 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2b3a s VAL 17 CO 0.07 0.09 -0.05 -0.94 0.00 0.00 0.00 175.10 174.27 2b3a s SER 18 N -0.68 0.60 0.29 3.32 1.04 0.13 -1.38 113.70 117.01 2b3a s SER 18 Ca 0.02 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 55.69 2b3a s SER 18 Cb -0.06 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 2b3a s SER 18 CO 0.00 -0.41 0.47 -0.76 0.98 0.00 0.00 173.24 173.52 2b3a s LEU 19 N -2.26 4.14 -0.03 2.42 1.43 -1.25 -2.47 118.68 120.66 2b3a s LEU 19 Ca -0.02 0.36 -0.24 0.00 -1.03 0.00 0.00 54.13 53.20 2b3a s LEU 19 Cb -0.01 -3.18 -0.21 0.00 0.03 0.00 0.00 46.19 42.82 2b3a s LEU 19 CO -0.04 -0.18 1.14 -0.78 0.23 0.00 0.00 176.35 176.71 2b3a h ASP 20 N 1.18 0.20 -1.02 2.29 3.58 -1.93 -3.22 116.42 117.50 2b3a h ASP 20 Ca -0.50 -0.66 0.27 0.00 0.42 0.00 0.00 57.03 56.56 2b3a h ASP 20 Cb 1.21 -0.06 -0.13 0.00 1.72 0.00 0.00 39.33 42.08 2b3a h ASP 20 CO 0.63 0.83 0.61 1.62 -2.88 0.00 0.00 179.24 180.04 2b3a h VAL 21 N -0.41 0.47 -3.06 2.25 3.04 -1.96 -3.12 116.25 113.46 2b3a h VAL 21 Ca -0.01 -0.17 -0.59 0.00 -1.01 0.00 0.00 66.70 64.92 2b3a h VAL 21 Cb 0.82 -0.06 -0.40 0.00 -2.01 0.00 0.00 31.29 29.64 2b3a h VAL 21 CO 0.03 0.09 -0.76 -0.62 -1.01 0.00 0.00 177.57 175.31 2b3a s ASP 22 N -5.12 3.85 -0.84 3.17 2.15 -1.26 -5.00 116.67 113.62 2b3a s ASP 22 Ca -0.10 -1.95 0.01 0.00 0.43 0.00 0.00 52.55 50.93 2b3a s ASP 22 Cb 0.28 -0.88 0.34 0.00 -0.30 0.00 0.00 42.92 42.35 2b3a s ASP 22 CO 0.80 -0.37 1.53 -3.20 -0.17 0.00 0.00 175.17 173.76 2b3a n ASN 23 N 4.42 6.33 -0.73 -0.34 2.85 -1.18 -3.97 115.26 122.64 2b3a n ASN 23 Ca 0.02 -3.71 0.04 0.00 -0.11 0.00 0.00 54.58 50.82 2b3a n ASN 23 Cb 0.39 -0.93 0.14 0.00 1.24 0.00 0.00 39.78 40.63 2b3a n ASN 23 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2b3a n GLY 24 N -0.19 0.99 0.75 8.20 0.00 -1.26 -5.01 105.19 108.66 2b3a n GLY 24 Ca 0.42 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2b3a n GLY 24 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2b3a n ASN 25 N 0.34 -4.97 -0.08 1.61 2.85 -1.26 -5.09 115.26 108.65 2b3a n ASN 25 Ca 0.10 0.54 0.00 0.00 -0.11 0.00 0.00 54.58 55.11 2b3a n ASN 25 Cb 0.38 -1.42 0.00 0.00 1.24 0.00 0.00 39.78 39.98 2b3a n ASN 25 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 2b3a n MET 26 N -0.09 -0.11 0.00 1.20 2.81 -1.26 -5.09 117.12 114.58 2b3a n MET 26 Ca 0.00 0.12 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 2b3a n MET 26 Cb 0.00 -0.09 0.00 0.00 -0.71 0.00 0.00 33.22 32.42 2b3a n MET 26 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2b3a n TYR 27 N -0.43 0.00 -3.92 2.03 4.01 -0.48 -4.89 117.16 113.48 2b3a n TYR 27 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 2b3a n TYR 27 Cb 0.00 0.33 -0.08 0.00 -0.31 0.00 0.00 39.34 39.28 2b3a n TYR 27 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2b3a s LYS 28 N -0.77 0.82 -0.09 -0.72 -2.85 -0.99 -4.99 119.74 110.15 2b3a s LYS 28 Ca 0.00 -1.04 -0.04 0.00 -1.00 0.00 0.00 55.97 53.89 2b3a s LYS 28 Cb 0.00 0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 36.05 2b3a s LYS 28 CO 0.00 -0.25 0.08 0.45 0.10 0.00 0.00 175.35 175.74 2b3a s SER 29 N -2.89 5.87 0.03 0.03 0.15 -1.26 -0.53 113.70 115.09 2b3a s SER 29 Ca 0.07 0.31 0.03 0.00 0.70 0.00 0.00 55.95 57.06 2b3a s SER 29 Cb 0.05 -1.79 -0.02 0.00 -1.71 0.00 0.00 66.02 62.56 2b3a s SER 29 CO -0.10 0.38 -0.10 -0.63 1.20 0.00 0.00 173.24 173.99 2b3a s ILE 30 N -1.00 0.78 -0.09 6.45 -1.09 0.06 -4.98 121.20 121.32 2b3a s ILE 30 Ca 0.16 -0.82 -0.14 0.00 -2.23 0.00 0.00 60.65 57.63 2b3a s ILE 30 Cb -0.12 -0.73 -0.05 0.00 -1.58 0.00 0.00 42.46 39.99 2b3a s ILE 30 CO 0.05 -0.07 0.33 -1.48 -1.23 0.00 0.00 174.94 172.54 2b3a s LEU 31 N -0.98 4.35 -0.17 2.97 2.34 -1.26 -0.51 118.68 125.42 2b3a s LEU 31 Ca -0.01 0.70 -0.05 0.00 0.06 0.00 0.00 54.13 54.82 2b3a s LEU 31 Cb -0.07 -2.44 -0.03 0.00 -0.56 0.00 0.00 46.19 43.09 2b3a s LEU 31 CO 0.01 0.22 0.01 0.54 -1.06 0.00 0.00 176.35 176.06 2b3a s VAL 32 N -0.29 4.24 0.32 1.48 0.11 0.23 -4.95 120.40 121.54 2b3a s VAL 32 Ca 0.20 -0.23 0.04 0.00 -2.93 0.00 0.00 61.98 59.05 2b3a s VAL 32 Cb -0.14 -2.89 -0.02 0.00 -1.53 0.00 0.00 36.38 31.80 2b3a s VAL 32 CO 0.08 0.47 0.47 0.42 -3.33 0.00 0.00 175.10 173.21 2b3a s THR 33 N 0.46 4.77 0.13 5.04 -4.23 -1.26 -1.61 115.64 118.94 2b3a s THR 33 Ca -0.01 -0.80 0.28 0.00 -1.18 0.00 0.00 61.69 59.98 2b3a s THR 33 Cb -0.14 -3.70 0.30 0.00 1.34 0.00 0.00 72.50 70.30 2b3a s THR 33 CO 0.02 -0.35 1.90 -1.28 -0.54 0.00 0.00 174.62 174.37 2b3a h SER 34 N 0.90 0.00 1.54 3.99 0.87 -1.87 -2.77 113.55 116.22 2b3a h SER 34 Ca -0.49 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.05 2b3a h SER 34 Cb 1.24 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2b3a h SER 34 CO 0.59 0.13 -0.10 -0.61 -0.53 0.00 0.00 176.83 176.31 2b3a h GLN 35 N 0.00 0.00 -5.47 2.24 4.15 -1.95 -3.44 115.11 110.64 2b3a h GLN 35 Ca -0.00 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.83 2b3a h GLN 35 Cb 0.64 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.23 2b3a h GLN 35 CO 0.02 0.10 -0.30 0.34 -1.93 0.00 0.00 178.83 177.06 2b3a s ASP 36 N -6.12 6.43 0.57 -0.69 2.15 -1.05 -5.05 116.67 112.91 2b3a s ASP 36 Ca 0.04 0.50 -0.07 0.00 0.43 0.00 0.00 52.55 53.45 2b3a s ASP 36 Cb 0.07 -2.19 -0.01 0.00 -0.30 0.00 0.00 42.92 40.49 2b3a s ASP 36 CO 0.65 0.05 0.90 -0.54 -0.17 0.00 0.00 175.17 176.06 2b3a s LYS 37 N 0.69 3.20 0.11 4.34 1.02 -1.26 -4.71 119.74 123.13 2b3a s LYS 37 Ca 0.17 0.20 -0.20 0.00 0.02 0.00 0.00 55.97 56.16 2b3a s LYS 37 Cb -0.13 -2.25 -0.08 0.00 -0.52 0.00 0.00 37.83 34.84 2b3a s LYS 37 CO 0.05 -0.56 1.75 0.00 -0.92 0.00 0.00 175.35 175.67 2b3a h ALA 38 N -0.12 0.22 -0.56 5.17 0.00 -1.79 0.20 119.26 122.38 2b3a h ALA 38 Ca -0.46 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.47 2b3a h ALA 38 Cb 1.23 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2b3a h ALA 38 CO 0.61 -0.28 0.37 -1.00 0.00 0.00 0.00 179.25 178.95 2b3a h PRO 39 N 0.22 0.60 -0.17 0.00 0.13 -1.84 0.14 132.00 131.08 2b3a h PRO 39 Ca 0.06 -0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 64.96 2b3a h PRO 39 Cb -0.00 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.00 2b3a h PRO 39 CO -0.01 0.40 -0.69 0.00 -0.23 0.00 0.00 178.00 177.47 2b3a h ALA 40 N 1.68 0.46 -0.46 -0.56 0.00 -1.83 -1.96 119.26 116.59 2b3a h ALA 40 Ca 0.23 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2b3a h ALA 40 Cb 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2b3a h ALA 40 CO -0.06 0.70 0.01 0.28 0.00 0.00 0.00 179.25 180.18 2b3a h VAL 41 N 0.50 1.23 -0.39 0.00 2.07 0.29 0.55 116.25 120.51 2b3a h VAL 41 Ca -0.03 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.61 2b3a h VAL 41 Cb 1.29 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 2b3a h VAL 41 CO 0.14 0.33 0.07 0.40 0.02 0.00 0.00 177.57 178.53 2b3a h ILE 42 N 0.70 0.80 -0.09 4.57 2.04 -0.57 0.12 117.51 125.09 2b3a h ILE 42 Ca 0.14 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 2b3a h ILE 42 Cb 0.41 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2b3a h ILE 42 CO 0.02 0.04 0.01 0.03 0.00 0.00 0.00 178.15 178.24 2b3a h ARG 43 N 0.20 0.15 -0.72 2.37 2.47 -0.46 -2.63 114.38 115.75 2b3a h ARG 43 Ca 0.19 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.87 2b3a h ARG 43 Cb 0.22 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.49 2b3a h ARG 43 CO -0.25 0.37 0.48 0.87 0.56 0.00 0.00 179.97 182.00 2b3a h LYS 44 N -0.10 0.94 -0.10 0.04 1.79 0.72 0.45 116.57 120.32 2b3a h LYS 44 Ca 0.03 -0.06 -0.23 0.00 -2.18 0.00 0.00 60.65 58.21 2b3a h LYS 44 Cb 0.29 -0.21 0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2b3a h LYS 44 CO 0.00 0.62 -0.86 0.00 -1.08 0.00 0.00 179.45 178.14 2b3a h ALA 45 N 1.27 0.28 -0.28 3.86 0.00 -0.84 0.34 119.26 123.89 2b3a h ALA 45 Ca 0.27 -0.63 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 2b3a h ALA 45 Cb -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2b3a h ALA 45 CO -0.06 0.70 -0.32 0.00 0.00 0.00 0.00 179.25 179.57 2b3a h MET 46 N 0.47 0.59 -0.50 0.00 -0.00 -1.12 -2.66 114.93 111.71 2b3a h MET 46 Ca -0.07 -0.26 0.06 0.00 -0.00 0.00 0.00 59.70 59.42 2b3a h MET 46 Cb 1.49 -0.01 -0.05 0.00 -0.00 0.00 0.00 31.60 33.03 2b3a h MET 46 CO 0.17 0.83 0.20 0.22 -0.00 0.00 0.00 176.91 178.34 2b3a h ASP 47 N 0.50 0.24 0.64 -0.10 3.58 0.10 -1.16 116.42 120.22 2b3a h ASP 47 Ca 0.06 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2b3a h ASP 47 Cb 0.80 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2b3a h ASP 47 CO 0.07 0.17 0.00 0.50 -2.88 0.00 0.00 179.24 177.10 2b3a h LYS 48 N 0.40 0.00 -0.22 0.28 1.63 -0.66 -0.54 116.57 117.46 2b3a h LYS 48 Ca 0.23 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 2b3a h LYS 48 Cb 0.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2b3a h LYS 48 CO -0.21 0.00 0.00 0.72 -3.45 0.00 0.00 179.45 176.51 2b3a n HIS 49 N -3.09 0.28 -2.25 1.91 8.25 -0.45 -4.89 115.22 114.98 2b3a n HIS 49 Ca -0.01 -0.14 -0.15 0.00 -0.26 0.00 0.00 57.72 57.17 2b3a n HIS 49 Cb 0.22 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.32 2b3a n HIS 49 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2b3a n ASN 50 N 0.34 -4.44 -2.87 0.41 4.05 -0.21 -4.92 115.26 107.62 2b3a n ASN 50 Ca 0.15 -0.00 -0.25 0.00 0.45 0.00 0.00 54.58 54.92 2b3a n ASN 50 Cb 0.31 -3.58 -0.03 0.00 1.23 0.00 0.00 39.78 37.70 2b3a n ASN 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2b3a n LEU 51 N -2.08 3.97 0.30 1.20 -0.00 -1.16 -4.85 117.00 114.38 2b3a n LEU 51 Ca -0.17 -5.44 0.17 0.00 -0.00 0.00 0.00 56.01 50.57 2b3a n LEU 51 Cb 0.63 -0.34 0.95 0.00 -0.00 0.00 0.00 43.42 44.65 2b3a n LEU 51 CO 0.20 2.30 1.10 -0.33 -0.00 0.00 0.00 177.39 180.65 2b3a h GLU 52 N 2.91 0.00 0.00 1.47 3.07 -1.81 -2.72 114.58 117.50 2b3a h GLU 52 Ca 0.15 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2b3a h GLU 52 Cb 0.67 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.58 2b3a h GLU 52 CO 0.77 0.03 -0.02 1.05 -1.40 0.00 0.00 179.01 179.44 2b3a h GLU 53 N 0.00 0.00 -6.58 2.33 4.11 -1.94 -3.42 114.58 109.08 2b3a h GLU 53 Ca -0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.91 2b3a h GLU 53 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2b3a h GLU 53 CO 0.00 0.02 0.16 -1.21 0.07 0.00 0.00 179.01 178.05 2b3a s GLU 54 N -4.05 4.40 0.13 1.06 0.41 -1.03 -5.06 118.70 114.57 2b3a s GLU 54 Ca -0.03 1.02 0.10 0.00 -0.41 0.00 0.00 54.97 55.65 2b3a s GLU 54 Cb 0.12 -3.02 -0.04 0.00 -1.78 0.00 0.00 34.13 29.41 2b3a s GLU 54 CO 0.49 0.45 -0.21 -2.00 -0.49 0.00 0.00 175.26 173.50 2b3a s GLU 55 N -1.66 1.66 0.15 1.61 2.56 -1.26 -4.99 118.70 116.77 2b3a s GLU 55 Ca 0.41 -1.28 0.12 0.00 0.00 0.00 0.00 54.97 54.22 2b3a s GLU 55 Cb -0.19 -2.02 0.59 0.00 2.00 0.00 0.00 34.13 34.51 2b3a s GLU 55 CO 0.23 0.46 1.36 -2.30 -0.56 0.00 0.00 175.26 174.45 2b3a n PRO 56 N 0.71 0.07 -0.31 4.30 -0.02 -1.26 -1.28 135.00 137.20 2b3a n PRO 56 Ca -0.16 0.53 -0.05 0.00 -2.02 0.00 0.00 63.50 61.80 2b3a n PRO 56 Cb 0.53 -1.71 0.08 0.00 -0.02 0.00 0.00 33.50 32.38 2b3a n PRO 56 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2b3a h GLU 57 N 0.00 1.21 0.03 -0.52 4.39 -2.01 -3.25 114.58 114.43 2b3a h GLU 57 Ca 0.00 -0.17 -0.37 0.00 0.34 0.00 0.00 59.36 59.16 2b3a h GLU 57 Cb 0.05 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.43 2b3a h GLU 57 CO 0.00 0.92 -2.24 -0.25 -1.16 0.00 0.00 179.01 176.28 2b3a n ASP 58 N -4.33 1.47 -4.92 1.42 9.92 -0.89 -4.94 116.55 114.28 2b3a n ASP 58 Ca 0.08 0.05 -0.21 0.00 -0.53 0.00 0.00 54.79 54.18 2b3a n ASP 58 Cb 0.13 -0.19 -0.02 0.00 -0.64 0.00 0.00 41.12 40.40 2b3a n ASP 58 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2b3a s TYR 59 N -2.53 3.15 0.12 1.24 1.51 -0.41 0.35 117.35 120.78 2b3a s TYR 59 Ca -0.23 -0.17 -0.19 0.00 -1.01 0.00 0.00 57.07 55.48 2b3a s TYR 59 Cb 0.08 -1.73 0.05 0.00 -0.11 0.00 0.00 41.96 40.25 2b3a s TYR 59 CO 0.72 0.25 0.46 -1.83 -1.11 0.00 0.00 175.55 174.04 2b3a s GLU 60 N -4.02 1.11 -0.12 -0.62 -1.05 -0.38 -4.20 118.70 109.41 2b3a s GLU 60 Ca 0.39 -0.58 -0.05 0.00 -0.15 0.00 0.00 54.97 54.58 2b3a s GLU 60 Cb -0.08 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.07 2b3a s GLU 60 CO 0.28 -0.44 0.06 -0.48 0.95 0.00 0.00 175.26 175.63 2b3a s LEU 61 N -2.66 3.87 -0.05 1.83 2.34 -1.26 0.12 118.68 122.88 2b3a s LEU 61 Ca 0.01 0.21 0.07 0.00 0.06 0.00 0.00 54.13 54.48 2b3a s LEU 61 Cb 0.01 -1.93 -0.01 0.00 -0.56 0.00 0.00 46.19 43.69 2b3a s LEU 61 CO -0.11 0.33 -0.25 -0.22 -1.06 0.00 0.00 176.35 175.04 2b3a s LEU 62 N -0.55 2.06 -0.06 1.48 0.20 0.93 -0.75 118.68 122.00 2b3a s LEU 62 Ca 0.10 -0.49 -0.17 0.00 0.69 0.00 0.00 54.13 54.26 2b3a s LEU 62 Cb -0.12 -1.35 -0.05 0.00 -0.43 0.00 0.00 46.19 44.24 2b3a s LEU 62 CO 0.02 0.27 0.47 -1.10 -0.29 0.00 0.00 176.35 175.72 2b3a s GLN 63 N -0.30 4.20 -0.12 1.98 -0.21 0.28 -0.54 119.66 124.96 2b3a s GLN 63 Ca 0.01 0.48 0.02 0.00 0.02 0.00 0.00 55.36 55.88 2b3a s GLN 63 Cb -0.13 -3.35 -0.01 0.00 1.00 0.00 0.00 33.01 30.53 2b3a s GLN 63 CO 0.02 0.38 -0.18 0.42 -2.12 0.00 0.00 175.29 173.81 2b3a s ILE 64 N -0.11 2.56 0.00 1.08 1.09 0.10 0.21 121.20 126.13 2b3a s ILE 64 Ca 0.26 -0.84 0.00 0.00 -1.10 0.00 0.00 60.65 58.97 2b3a s ILE 64 Cb -0.16 -2.04 0.00 0.00 -1.06 0.00 0.00 42.46 39.20 2b3a s ILE 64 CO 0.12 0.54 0.00 0.18 -0.10 0.00 0.00 174.94 175.68 2b3a n LEU 65 N 3.59 0.00 -3.36 2.97 4.32 -0.99 -2.40 117.00 121.13 2b3a n LEU 65 Ca -0.19 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.69 2b3a n LEU 65 Cb 0.53 -0.13 -0.08 0.00 -1.62 0.00 0.00 43.42 42.12 2b3a n LEU 65 CO 0.29 -0.16 -0.09 -0.44 -1.22 0.00 0.00 177.39 175.77 2b3a s SER 66 N -1.74 0.59 0.00 -1.43 0.01 -1.25 -4.64 113.70 105.24 2b3a s SER 66 Ca 0.00 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2b3a s SER 66 Cb 0.00 0.95 0.00 0.00 0.21 0.00 0.00 66.02 67.18 2b3a s SER 66 CO 0.00 -0.33 0.00 -0.67 0.41 0.00 0.00 173.24 172.65 2b3a n ASP 67 N 5.35 0.00 0.03 2.44 -0.08 -1.26 -3.07 116.55 119.96 2b3a n ASP 67 Ca -0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 2b3a n ASP 67 Cb 0.49 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.95 2b3a n ASP 67 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2b3a n ASP 68 N 0.25 0.31 -4.56 1.67 -0.08 -1.26 -4.82 116.55 108.06 2b3a n ASP 68 Ca 0.00 0.10 -0.20 0.00 -1.51 0.00 0.00 54.79 53.18 2b3a n ASP 68 Cb 0.00 -0.05 -0.07 0.00 2.34 0.00 0.00 41.12 43.34 2b3a n ASP 68 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2b3a s ARG 69 N -2.00 2.03 -0.14 -0.67 1.81 -1.18 -4.88 118.95 113.92 2b3a s ARG 69 Ca 0.00 -0.07 0.00 0.00 -1.72 0.00 0.00 55.73 53.94 2b3a s ARG 69 Cb 0.00 -4.96 -0.01 0.00 -0.45 0.00 0.00 34.95 29.53 2b3a s ARG 69 CO 0.00 -4.08 -0.14 0.15 -0.68 0.00 0.00 175.30 170.55 2b3a s LYS 70 N 7.87 3.29 -0.17 3.54 1.02 -1.26 -2.34 119.74 131.69 2b3a s LYS 70 Ca 0.80 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 56.08 2b3a s LYS 70 Cb -0.08 -2.62 0.02 0.00 -0.52 0.00 0.00 37.83 34.63 2b3a s LYS 70 CO 0.06 0.12 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.92 2b3a s LEU 71 N 0.56 1.98 0.11 3.17 1.43 0.13 -4.96 118.68 121.11 2b3a s LEU 71 Ca -0.09 -0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 52.12 2b3a s LEU 71 Cb -0.16 -1.37 -0.06 0.00 0.03 0.00 0.00 46.19 44.63 2b3a s LEU 71 CO 0.04 -0.01 0.98 -0.54 0.23 0.00 0.00 176.35 177.04 2b3a s LYS 72 N 1.31 4.68 -0.30 1.70 3.01 -1.26 0.10 119.74 128.98 2b3a s LYS 72 Ca 0.04 1.47 -0.12 0.00 -1.01 0.00 0.00 55.97 56.36 2b3a s LYS 72 Cb -0.13 -3.37 -0.04 0.00 -1.01 0.00 0.00 37.83 33.28 2b3a s LYS 72 CO -0.11 0.19 0.21 0.42 0.51 0.00 0.00 175.35 176.56 2b3a s ILE 73 N 0.04 5.27 0.24 2.17 -1.09 0.07 -4.88 121.20 123.03 2b3a s ILE 73 Ca 0.47 0.02 -0.03 0.00 -2.23 0.00 0.00 60.65 58.88 2b3a s ILE 73 Cb -0.24 -3.58 0.05 0.00 -1.58 0.00 0.00 42.46 37.11 2b3a s ILE 73 CO 0.30 0.16 0.33 -0.81 -1.23 0.00 0.00 174.94 173.68 2b3a n PRO 74 N 5.07 -0.09 0.02 2.79 -0.04 -1.26 -4.25 135.00 137.25 2b3a n PRO 74 Ca -0.14 -0.61 -0.15 0.00 -0.04 0.00 0.00 63.50 62.56 2b3a n PRO 74 Cb 0.51 -0.30 -0.14 0.00 -0.04 0.00 0.00 33.50 33.53 2b3a n PRO 74 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2b3a h GLU 75 N 0.00 0.17 0.00 0.54 5.08 -1.98 -3.37 114.58 115.03 2b3a h GLU 75 Ca -0.11 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2b3a h GLU 75 Cb 0.32 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2b3a h GLU 75 CO 0.09 0.95 -0.46 -0.97 -1.00 0.00 0.00 179.01 177.62 2b3a h ASN 76 N 0.05 0.00 -3.40 1.42 -0.00 -2.00 -3.37 115.58 108.27 2b3a h ASN 76 Ca -0.30 -0.05 -0.53 0.00 -0.00 0.00 0.00 56.30 55.42 2b3a h ASN 76 Cb 2.01 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 40.32 2b3a h ASN 76 CO 0.12 0.02 0.42 0.00 -0.00 0.00 0.00 177.43 177.99 2b3a s ALA 77 N -3.23 3.24 0.33 1.57 0.00 -1.26 -4.99 121.76 117.42 2b3a s ALA 77 Ca 0.05 0.63 -0.28 0.00 0.00 0.00 0.00 51.96 52.36 2b3a s ALA 77 Cb 0.09 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 2b3a s ALA 77 CO 0.71 -0.23 1.28 -0.80 0.00 0.00 0.00 175.76 176.72 2b3a s ASN 78 N 0.75 6.78 0.22 0.00 0.02 -1.26 -4.28 114.94 117.17 2b3a s ASN 78 Ca 0.52 2.64 -0.09 0.00 -1.02 0.00 0.00 52.86 54.91 2b3a s ASN 78 Cb -0.24 -2.65 0.18 0.00 0.02 0.00 0.00 41.25 38.56 2b3a s ASN 78 CO 0.29 -0.52 1.86 0.58 0.02 0.00 0.00 177.10 179.33 2b3a h VAL 79 N 2.98 1.23 0.00 1.60 2.07 -1.93 0.15 116.25 122.35 2b3a h VAL 79 Ca -0.49 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 2b3a h VAL 79 Cb 1.23 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2b3a h VAL 79 CO 0.65 0.24 -0.09 -0.26 0.02 0.00 0.00 177.57 178.13 2b3a h PHE 80 N 1.12 0.00 0.00 1.57 0.04 -1.93 0.18 116.94 117.93 2b3a h PHE 80 Ca 0.29 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.78 2b3a h PHE 80 Cb -0.04 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.06 2b3a h PHE 80 CO -0.00 0.09 -1.89 0.66 -0.60 0.00 0.00 178.31 176.57 2b3a n TYR 81 N -3.81 0.64 0.06 -0.55 4.02 -0.39 -4.26 117.16 112.87 2b3a n TYR 81 Ca -0.02 0.23 0.10 0.00 -0.01 0.00 0.00 57.90 58.19 2b3a n TYR 81 Cb 0.19 -1.08 -0.06 0.00 -0.02 0.00 0.00 39.34 38.37 2b3a n TYR 81 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2b3a n ALA 82 N -2.58 2.50 -1.53 -0.72 0.00 0.37 -4.95 120.51 113.61 2b3a n ALA 82 Ca -0.20 -0.37 -0.32 0.00 0.00 0.00 0.00 53.44 52.55 2b3a n ALA 82 Cb 1.03 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 19.55 2b3a n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b3a s MET 83 N -3.33 2.90 0.33 0.00 0.23 0.59 -5.06 119.30 114.96 2b3a s MET 83 Ca -0.03 1.22 0.08 0.00 -1.03 0.00 0.00 55.69 55.93 2b3a s MET 83 Cb 0.10 -1.97 -0.04 0.00 -1.53 0.00 0.00 34.83 31.39 2b3a s MET 83 CO 0.82 -1.15 0.18 0.54 -2.03 0.00 0.00 175.02 173.38 2b3a s ASN 84 N -3.00 4.92 0.31 -1.18 2.20 -1.26 -4.99 114.94 111.95 2b3a s ASN 84 Ca 0.63 -0.64 0.07 0.00 -0.94 0.00 0.00 52.86 51.98 2b3a s ASN 84 Cb -0.17 -0.86 -0.03 0.00 -2.00 0.00 0.00 41.25 38.19 2b3a s ASN 84 CO 0.45 -0.27 0.25 -1.54 -2.94 0.00 0.00 177.10 173.05 2b3a n SER 85 N -1.20 -0.51 -2.90 3.54 3.41 -1.26 -4.83 113.62 109.87 2b3a n SER 85 Ca -0.03 -3.04 -0.21 0.00 -0.26 0.00 0.00 58.87 55.33 2b3a n SER 85 Cb 0.60 1.51 0.01 0.00 -0.26 0.00 0.00 64.21 66.08 2b3a n SER 85 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2b3a n THR 86 N -0.61 -1.42 -3.60 6.66 -1.04 -1.26 -4.92 114.28 108.08 2b3a n THR 86 Ca 0.06 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.02 2b3a n THR 86 Cb 0.56 -2.81 -0.02 0.00 -1.82 0.00 0.00 70.33 66.24 2b3a n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2b3a s ALA 87 N -3.03 -1.86 0.32 2.41 0.00 -1.26 -5.14 121.76 113.20 2b3a s ALA 87 Ca 0.23 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 2b3a s ALA 87 Cb -0.11 0.40 -0.11 0.00 0.00 0.00 0.00 23.12 23.30 2b3a s ALA 87 CO 0.28 -0.82 1.43 0.54 0.00 0.00 0.00 175.76 177.19 2b3a s ASN 88 N -2.63 6.56 -0.78 0.00 4.22 -1.26 -4.95 114.94 116.10 2b3a s ASN 88 Ca 0.09 2.82 -0.15 0.00 -2.14 0.00 0.00 52.86 53.48 2b3a s ASN 88 Cb -0.00 -2.65 0.19 0.00 1.28 0.00 0.00 41.25 40.07 2b3a s ASN 88 CO -0.04 -0.73 0.76 -0.31 -2.04 0.00 0.00 177.10 174.74 2b3a s TYR 89 N -0.66 3.57 0.02 1.54 2.02 -1.26 -4.56 117.35 118.02 2b3a s TYR 89 Ca 0.55 -1.76 0.06 0.00 -0.37 0.00 0.00 57.07 55.55 2b3a s TYR 89 Cb -0.43 -3.88 -0.03 0.00 -0.40 0.00 0.00 41.96 37.22 2b3a s TYR 89 CO 0.52 -1.07 -0.14 0.34 -1.57 0.00 0.00 175.55 173.64 2b3a s ASP 90 N 2.64 4.08 0.04 2.29 2.15 -1.01 -2.28 116.67 124.58 2b3a s ASP 90 Ca 0.17 -0.31 0.03 0.00 0.43 0.00 0.00 52.55 52.86 2b3a s ASP 90 Cb -0.14 -0.78 -0.02 0.00 -0.30 0.00 0.00 42.92 41.68 2b3a s ASP 90 CO -0.06 0.27 -0.09 -0.36 -0.17 0.00 0.00 175.17 174.77 2b3a s PHE 91 N -0.93 0.74 0.08 -5.34 0.40 -0.55 0.01 117.98 112.40 2b3a s PHE 91 Ca 0.15 -0.41 0.06 0.00 -0.60 0.00 0.00 56.93 56.13 2b3a s PHE 91 Cb -0.11 -0.44 -0.03 0.00 0.51 0.00 0.00 43.02 42.95 2b3a s PHE 91 CO 0.06 -0.05 -0.16 0.08 0.70 0.00 0.00 175.22 175.85 2b3a s VAL 92 N -1.09 1.32 -0.15 -0.44 1.01 0.30 0.19 120.40 121.54 2b3a s VAL 92 Ca -0.06 -1.37 -0.07 0.00 0.00 0.00 0.00 61.98 60.48 2b3a s VAL 92 Cb -0.08 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2b3a s VAL 92 CO 0.01 -0.16 0.09 -1.48 0.00 0.00 0.00 175.10 173.56 2b3a s LEU 93 N -1.77 4.07 0.06 3.92 2.34 -1.03 -0.05 118.68 126.22 2b3a s LEU 93 Ca 0.01 0.26 0.08 0.00 0.06 0.00 0.00 54.13 54.54 2b3a s LEU 93 Cb -0.10 -2.01 -0.03 0.00 -0.56 0.00 0.00 46.19 43.49 2b3a s LEU 93 CO 0.03 0.29 -0.19 -0.54 -1.06 0.00 0.00 176.35 174.88 2b3a s LYS 94 N -0.34 1.96 -0.32 1.48 1.02 0.12 -3.20 119.74 120.45 2b3a s LYS 94 Ca 0.10 -1.05 -0.12 0.00 0.02 0.00 0.00 55.97 54.92 2b3a s LYS 94 Cb -0.12 -2.14 -0.02 0.00 -0.52 0.00 0.00 37.83 35.03 2b3a s LYS 94 CO 0.01 0.52 0.22 0.21 -0.92 0.00 0.00 175.35 175.40 2b3a s LYS 95 N -1.57 3.59 -0.60 1.68 2.20 -1.26 -1.25 119.74 122.53 2b3a s LYS 95 Ca 0.15 -0.57 -0.25 0.00 -0.36 0.00 0.00 55.97 54.94 2b3a s LYS 95 Cb -0.10 -3.75 0.04 0.00 -1.51 0.00 0.00 37.83 32.51 2b3a s LYS 95 CO 0.06 -0.38 1.03 1.03 -0.36 0.00 0.00 175.35 176.73 2b3a s ARG 96 N 1.72 3.32 0.00 4.03 0.52 0.16 -4.98 118.95 123.71 2b3a s ARG 96 Ca 0.06 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 2b3a s ARG 96 Cb -0.17 -4.09 0.00 0.00 0.52 0.00 0.00 34.95 31.21 2b3a s ARG 96 CO 0.10 -1.65 0.00 0.25 0.02 0.00 0.00 175.30 174.02