#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 -2.25 3.94 0.20 0.00 1.09 -1.26 -0.45 121.20 122.47 2b3a s ILE 14 Ca -0.07 -0.32 0.08 0.00 -1.10 0.00 0.00 60.65 59.24 2b3a s ILE 14 Cb -0.02 -2.78 -0.05 0.00 -1.06 0.00 0.00 42.46 38.56 2b3a s ILE 14 CO -0.01 0.43 -0.14 0.27 -0.10 0.00 0.00 174.94 175.39 2b3a s ILE 15 N 0.98 1.72 0.03 2.92 -4.36 0.15 -4.94 121.20 117.70 2b3a s ILE 15 Ca 0.01 -2.18 0.06 0.00 -0.26 0.00 0.00 60.65 58.28 2b3a s ILE 15 Cb -0.14 -2.02 -0.03 0.00 1.25 0.00 0.00 42.46 41.52 2b3a s ILE 15 CO 0.02 -0.58 -0.15 -0.60 0.24 0.00 0.00 174.94 173.86 2b3a s ARG 16 N -3.59 2.21 -0.07 0.37 3.00 -0.99 -0.97 118.95 118.92 2b3a s ARG 16 Ca 0.22 -0.91 0.01 0.00 -1.00 0.00 0.00 55.73 54.05 2b3a s ARG 16 Cb -0.01 -2.27 0.02 0.00 0.00 0.00 0.00 34.95 32.69 2b3a s ARG 16 CO 0.07 0.56 -0.08 0.08 0.00 0.00 0.00 175.30 175.92 2b3a s VAL 17 N -0.93 0.88 0.13 7.11 1.01 0.47 -0.94 120.40 128.12 2b3a s VAL 17 Ca 0.15 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.91 2b3a s VAL 17 Cb -0.11 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2b3a s VAL 17 CO 0.06 0.31 -0.14 -0.94 0.00 0.00 0.00 175.10 174.39 2b3a s SER 18 N 1.08 2.09 0.01 3.32 1.04 -0.21 -2.58 113.70 118.44 2b3a s SER 18 Ca -0.08 -0.85 -0.09 0.00 0.48 0.00 0.00 55.95 55.42 2b3a s SER 18 Cb -0.14 -0.08 -0.05 0.00 0.10 0.00 0.00 66.02 65.85 2b3a s SER 18 CO -0.01 -0.15 0.31 -0.76 0.98 0.00 0.00 173.24 173.61 2b3a s LEU 19 N -2.60 4.39 0.44 2.42 1.43 -1.26 -1.18 118.68 122.33 2b3a s LEU 19 Ca 0.11 0.68 0.10 0.00 -1.03 0.00 0.00 54.13 54.00 2b3a s LEU 19 Cb -0.04 -2.66 0.99 0.00 0.03 0.00 0.00 46.19 44.51 2b3a s LEU 19 CO 0.03 0.26 2.08 -0.78 0.23 0.00 0.00 176.35 178.18 2b3a h ASP 20 N 4.17 0.33 -0.56 2.29 3.58 -1.48 -2.07 116.42 122.68 2b3a h ASP 20 Ca -0.51 -0.01 0.16 0.00 0.42 0.00 0.00 57.03 57.10 2b3a h ASP 20 Cb 1.20 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.15 2b3a h ASP 20 CO 0.64 0.23 0.61 1.62 -2.88 0.00 0.00 179.24 179.47 2b3a h VAL 21 N 0.38 0.29 -0.65 2.25 3.04 -1.94 -3.27 116.25 116.35 2b3a h VAL 21 Ca 0.12 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.80 2b3a h VAL 21 Cb 0.02 0.51 -0.17 0.00 -2.01 0.00 0.00 31.29 29.64 2b3a h VAL 21 CO -0.03 0.00 -0.31 -0.62 -1.01 0.00 0.00 177.57 175.60 2b3a s ASP 22 N -4.88 -0.98 -1.28 3.17 2.15 -0.86 -5.09 116.67 108.90 2b3a s ASP 22 Ca -0.04 -0.71 -0.19 0.00 0.43 0.00 0.00 52.55 52.04 2b3a s ASP 22 Cb 0.15 1.27 0.03 0.00 -0.30 0.00 0.00 42.92 44.07 2b3a s ASP 22 CO 0.53 -0.08 1.83 -0.46 -0.17 0.00 0.00 175.17 176.81 2b3a n ASN 23 N 3.67 4.41 0.00 -0.34 6.94 -0.84 -4.27 115.26 124.83 2b3a n ASN 23 Ca 0.11 -2.86 0.00 0.00 -0.02 0.00 0.00 54.58 51.81 2b3a n ASN 23 Cb 0.60 -1.72 0.00 0.00 -2.36 0.00 0.00 39.78 36.29 2b3a n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2b3a n GLY 24 N 5.34 1.60 4.79 4.83 0.00 -1.26 -5.02 105.19 115.47 2b3a n GLY 24 Ca 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 0.00 0.00 1.61 2.85 -1.26 -4.27 115.26 114.19 2b3a n ASN 25 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2b3a n ASN 25 Cb 0.00 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 40.54 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 -1.27 0.00 0.00 1.20 2.81 -1.26 -4.91 117.12 113.69 2b3a n MET 26 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2b3a n MET 26 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 0.00 0.00 -3.81 2.03 4.02 -1.26 -4.22 117.16 113.92 2b3a n TYR 27 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 2b3a n TYR 27 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.25 2b3a n TYR 27 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 2b3a s LYS 28 N 0.00 0.87 -0.05 -0.72 -2.85 -1.06 -5.04 119.74 110.88 2b3a s LYS 28 Ca 0.00 -0.85 0.06 0.00 -1.00 0.00 0.00 55.97 54.18 2b3a s LYS 28 Cb 0.00 0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 36.11 2b3a s LYS 28 CO 0.00 -0.29 -0.22 0.45 0.10 0.00 0.00 175.35 175.39 2b3a s SER 29 N -2.71 3.35 -0.02 0.03 0.15 -1.26 -0.40 113.70 112.84 2b3a s SER 29 Ca 0.03 -0.41 0.06 0.00 0.70 0.00 0.00 55.95 56.32 2b3a s SER 29 Cb 0.03 -0.74 -0.01 0.00 -1.71 0.00 0.00 66.02 63.59 2b3a s SER 29 CO -0.10 0.29 -0.18 -0.63 1.20 0.00 0.00 173.24 173.81 2b3a s ILE 30 N -0.40 1.47 -0.22 6.45 -1.09 -0.14 -4.96 121.20 122.31 2b3a s ILE 30 Ca 0.04 -0.79 -0.15 0.00 -2.23 0.00 0.00 60.65 57.52 2b3a s ILE 30 Cb -0.12 -1.23 -0.04 0.00 -1.58 0.00 0.00 42.46 39.49 2b3a s ILE 30 CO 0.02 0.42 0.36 -0.22 -1.23 0.00 0.00 174.94 174.28 2b3a s LEU 31 N -0.36 4.13 -0.15 2.97 0.20 -1.26 -0.67 118.68 123.54 2b3a s LEU 31 Ca 0.05 0.41 -0.06 0.00 0.69 0.00 0.00 54.13 55.22 2b3a s LEU 31 Cb -0.08 -2.43 -0.04 0.00 -0.43 0.00 0.00 46.19 43.21 2b3a s LEU 31 CO -0.00 -0.07 0.06 0.54 -0.29 0.00 0.00 176.35 176.58 2b3a s VAL 32 N 1.41 4.76 0.28 1.68 0.11 0.40 -4.92 120.40 124.13 2b3a s VAL 32 Ca 0.16 -0.06 0.06 0.00 -2.93 0.00 0.00 61.98 59.22 2b3a s VAL 32 Cb -0.15 -3.09 -0.03 0.00 -1.53 0.00 0.00 36.38 31.58 2b3a s VAL 32 CO 0.08 0.53 0.34 0.42 -3.33 0.00 0.00 175.10 173.14 2b3a s THR 33 N -0.21 4.48 -1.34 5.04 -4.23 -1.26 -1.27 115.64 116.86 2b3a s THR 33 Ca 0.07 -1.15 0.16 0.00 -1.18 0.00 0.00 61.69 59.60 2b3a s THR 33 Cb -0.12 -3.53 0.24 0.00 1.34 0.00 0.00 72.50 70.44 2b3a s THR 33 CO 0.01 -0.26 1.46 -1.54 -0.54 0.00 0.00 174.62 173.75 2b3a n SER 34 N -1.41 0.00 0.07 3.99 3.41 -0.18 -2.83 113.62 116.66 2b3a n SER 34 Ca -0.05 0.16 -0.06 0.00 -0.26 0.00 0.00 58.87 58.65 2b3a n SER 34 Cb 0.58 -0.33 -0.07 0.00 -0.26 0.00 0.00 64.21 64.12 2b3a n SER 34 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2b3a h GLN 35 N 0.00 0.00 -6.15 4.33 4.15 -1.94 -3.46 115.11 112.04 2b3a h GLN 35 Ca 0.00 -0.01 -0.66 0.00 0.77 0.00 0.00 58.65 58.76 2b3a h GLN 35 Cb 0.17 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 27.75 2b3a h GLN 35 CO 0.00 0.94 -0.63 0.34 -1.93 0.00 0.00 178.83 177.55 2b3a s ASP 36 N -6.74 5.27 0.49 -0.69 2.15 -1.13 -5.11 116.67 110.92 2b3a s ASP 36 Ca 0.01 -0.00 -0.00 0.00 0.43 0.00 0.00 52.55 52.98 2b3a s ASP 36 Cb 0.10 -1.39 0.01 0.00 -0.30 0.00 0.00 42.92 41.34 2b3a s ASP 36 CO 0.81 0.25 0.72 -0.75 -0.17 0.00 0.00 175.17 176.04 2b3a s LYS 37 N -1.80 2.94 0.17 4.34 2.20 -1.26 -4.71 119.74 121.61 2b3a s LYS 37 Ca 0.22 -0.48 -0.13 0.00 -0.36 0.00 0.00 55.97 55.22 2b3a s LYS 37 Cb -0.12 -2.50 0.06 0.00 -1.51 0.00 0.00 37.83 33.76 2b3a s LYS 37 CO 0.14 -0.42 1.74 0.00 -0.36 0.00 0.00 175.35 176.44 2b3a h ALA 38 N 0.25 0.71 -0.04 3.13 0.00 -1.83 -1.96 119.26 119.52 2b3a h ALA 38 Ca -0.45 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 2b3a h ALA 38 Cb 1.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2b3a h ALA 38 CO 0.57 0.29 -0.19 -1.00 0.00 0.00 0.00 179.25 178.92 2b3a h PRO 39 N 0.75 0.06 -0.23 0.00 0.13 -1.76 0.36 132.00 131.30 2b3a h PRO 39 Ca 0.19 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 65.11 2b3a h PRO 39 Cb 0.15 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.27 2b3a h PRO 39 CO -0.02 0.25 -0.62 0.00 -0.23 0.00 0.00 178.00 177.38 2b3a h ALA 40 N 1.76 0.45 -0.35 -0.56 0.00 -1.88 -2.27 119.26 116.41 2b3a h ALA 40 Ca 0.01 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 2b3a h ALA 40 Cb 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2b3a h ALA 40 CO 0.03 0.69 -0.02 0.28 0.00 0.00 0.00 179.25 180.23 2b3a h VAL 41 N 0.59 1.21 -0.12 0.00 2.07 -0.46 0.39 116.25 119.93 2b3a h VAL 41 Ca -0.01 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.71 2b3a h VAL 41 Cb 1.23 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 2b3a h VAL 41 CO 0.13 0.29 -0.21 0.40 0.02 0.00 0.00 177.57 178.20 2b3a h ILE 42 N 0.53 0.48 -0.12 4.57 2.04 -0.07 0.37 117.51 125.32 2b3a h ILE 42 Ca 0.11 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 2b3a h ILE 42 Cb 0.37 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2b3a h ILE 42 CO 0.01 0.00 0.01 -0.09 0.00 0.00 0.00 178.15 178.08 2b3a h ARG 43 N -0.27 0.21 -0.45 2.37 2.43 -0.75 -2.74 114.38 115.18 2b3a h ARG 43 Ca 0.10 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2b3a h ARG 43 Cb 0.41 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2b3a h ARG 43 CO -0.28 0.44 0.28 0.87 -1.51 0.00 0.00 179.97 179.77 2b3a h LYS 44 N -0.05 0.55 -0.16 0.20 1.79 0.33 0.48 116.57 119.72 2b3a h LYS 44 Ca 0.03 -0.03 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 2b3a h LYS 44 Cb 0.34 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2b3a h LYS 44 CO 0.00 0.37 -0.71 0.00 -1.08 0.00 0.00 179.45 178.03 2b3a h ALA 45 N 1.18 0.45 -0.20 3.86 0.00 -0.34 0.80 119.26 125.01 2b3a h ALA 45 Ca 0.17 -0.58 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 2b3a h ALA 45 Cb -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2b3a h ALA 45 CO -0.06 0.70 -0.56 0.00 0.00 0.00 0.00 179.25 179.33 2b3a h MET 46 N 0.48 0.61 -0.97 0.00 -0.00 -1.29 -3.10 114.93 110.66 2b3a h MET 46 Ca -0.03 -0.39 0.07 0.00 -0.00 0.00 0.00 59.70 59.35 2b3a h MET 46 Cb 1.31 0.05 -0.07 0.00 -0.00 0.00 0.00 31.60 32.89 2b3a h MET 46 CO 0.14 1.01 0.63 0.22 -0.00 0.00 0.00 176.91 178.91 2b3a h ASP 47 N 0.47 0.98 0.27 -0.10 1.82 0.33 -0.76 116.42 119.42 2b3a h ASP 47 Ca 0.01 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2b3a h ASP 47 Cb 1.12 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.94 2b3a h ASP 47 CO 0.11 0.61 0.00 0.50 -1.61 0.00 0.00 179.24 178.85 2b3a h LYS 48 N 1.10 0.00 -0.01 0.28 1.63 -0.77 0.26 116.57 119.07 2b3a h LYS 48 Ca 0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.23 2b3a h LYS 48 Cb 0.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2b3a h LYS 48 CO -0.18 0.00 -0.04 0.72 -3.45 0.00 0.00 179.45 176.50 2b3a n HIS 49 N -2.89 0.00 -3.21 1.91 8.25 -0.29 -4.94 115.22 114.05 2b3a n HIS 49 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.36 2b3a n HIS 49 Cb 0.12 -0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.21 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 -0.41 -7.11 -3.31 0.41 2.85 0.93 -4.99 115.26 103.62 2b3a n ASN 50 Ca 0.19 -0.37 -0.26 0.00 -0.11 0.00 0.00 54.58 54.04 2b3a n ASN 50 Cb 0.27 -4.86 -0.09 0.00 1.24 0.00 0.00 39.78 36.35 2b3a n ASN 50 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2b3a n LEU 51 N -2.37 -0.02 0.31 1.20 -0.00 -1.26 -4.94 117.00 109.92 2b3a n LEU 51 Ca -0.05 -4.56 0.18 0.00 -0.00 0.00 0.00 56.01 51.58 2b3a n LEU 51 Cb 0.55 0.54 1.01 0.00 -0.00 0.00 0.00 43.42 45.52 2b3a n LEU 51 CO 0.56 1.96 1.12 -0.33 -0.00 0.00 0.00 177.39 180.71 2b3a h GLU 52 N 4.83 0.00 0.00 1.47 4.39 -1.92 -1.99 114.58 121.36 2b3a h GLU 52 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2b3a h GLU 52 Cb 0.89 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2b3a h GLU 52 CO 0.43 0.02 0.00 -0.85 -1.16 0.00 0.00 179.01 177.45 2b3a n GLU 53 N -3.42 0.19 -4.31 2.33 0.28 -1.26 -4.72 120.64 109.73 2b3a n GLU 53 Ca -0.03 0.27 -0.34 0.00 -0.16 0.00 0.00 57.16 56.91 2b3a n GLU 53 Cb 0.11 -1.78 -0.13 0.00 1.43 0.00 0.00 31.44 31.07 2b3a n GLU 53 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2b3a s GLU 54 N -3.16 3.49 0.16 3.44 0.41 -0.75 -5.11 118.70 117.18 2b3a s GLU 54 Ca 0.08 -0.60 0.05 0.00 -0.41 0.00 0.00 54.97 54.09 2b3a s GLU 54 Cb 0.12 -2.88 -0.04 0.00 -1.78 0.00 0.00 34.13 29.54 2b3a s GLU 54 CO 0.49 0.07 0.12 -1.21 -0.49 0.00 0.00 175.26 174.24 2b3a s GLU 55 N 0.79 2.86 0.22 1.61 8.01 -1.26 -4.98 118.70 125.95 2b3a s GLU 55 Ca -0.02 -0.87 0.16 0.00 0.01 0.00 0.00 54.97 54.24 2b3a s GLU 55 Cb -0.15 -2.63 0.82 0.00 -4.31 0.00 0.00 34.13 27.86 2b3a s GLU 55 CO 0.02 0.49 1.48 -2.30 0.01 0.00 0.00 175.26 174.95 2b3a n PRO 56 N -0.26 0.10 0.00 0.39 -0.02 -1.26 -0.90 135.00 133.04 2b3a n PRO 56 Ca -0.08 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 2b3a n PRO 56 Cb 0.54 -1.81 0.58 0.00 -0.02 0.00 0.00 33.50 32.79 2b3a n PRO 56 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2b3a n GLU 57 N -2.02 0.23 -0.03 -0.52 -0.58 -1.26 -3.28 120.64 113.18 2b3a n GLU 57 Ca -0.01 0.07 -0.01 0.00 -0.42 0.00 0.00 57.16 56.79 2b3a n GLU 57 Cb 0.05 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.35 2b3a n GLU 57 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2b3a n ASP 58 N -1.36 3.05 -4.47 1.62 2.03 -0.08 -4.98 116.55 112.36 2b3a n ASP 58 Ca 0.10 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.17 2b3a n ASP 58 Cb 0.22 0.97 -0.10 0.00 -0.72 0.00 0.00 41.12 41.50 2b3a n ASP 58 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2b3a s TYR 59 N -2.35 2.15 0.08 -0.67 1.51 -1.13 0.66 117.35 117.60 2b3a s TYR 59 Ca -0.04 -0.52 0.05 0.00 -1.01 0.00 0.00 57.07 55.56 2b3a s TYR 59 Cb 0.04 -1.12 -0.03 0.00 -0.11 0.00 0.00 41.96 40.73 2b3a s TYR 59 CO 0.34 0.51 -0.14 -1.21 -1.11 0.00 0.00 175.55 173.94 2b3a s GLU 60 N -3.62 0.83 -0.24 -0.62 0.41 0.95 -4.67 118.70 111.75 2b3a s GLU 60 Ca 0.30 -1.00 -0.07 0.00 -0.41 0.00 0.00 54.97 53.79 2b3a s GLU 60 Cb 0.00 -0.80 -0.03 0.00 -1.78 0.00 0.00 34.13 31.53 2b3a s GLU 60 CO 0.13 0.17 0.06 -1.17 -0.49 0.00 0.00 175.26 173.96 2b3a s LEU 61 N -1.87 3.43 -0.07 1.80 0.20 -1.26 -0.73 118.68 120.17 2b3a s LEU 61 Ca -0.00 -0.19 0.04 0.00 0.69 0.00 0.00 54.13 54.67 2b3a s LEU 61 Cb -0.09 -1.91 0.00 0.00 -0.43 0.00 0.00 46.19 43.76 2b3a s LEU 61 CO 0.02 -0.00 -0.20 -0.22 -0.29 0.00 0.00 176.35 175.66 2b3a s LEU 62 N 1.41 1.96 0.07 -0.68 0.20 0.89 -0.65 118.68 121.89 2b3a s LEU 62 Ca 0.05 -0.46 -0.26 0.00 0.69 0.00 0.00 54.13 54.16 2b3a s LEU 62 Cb -0.15 -1.20 -0.06 0.00 -0.43 0.00 0.00 46.19 44.36 2b3a s LEU 62 CO 0.03 0.15 0.80 -1.10 -0.29 0.00 0.00 176.35 175.94 2b3a s GLN 63 N 0.26 4.54 -0.09 1.98 -0.21 0.28 0.03 119.66 126.46 2b3a s GLN 63 Ca -0.13 1.14 0.04 0.00 0.02 0.00 0.00 55.36 56.43 2b3a s GLN 63 Cb -0.16 -3.36 0.00 0.00 1.00 0.00 0.00 33.01 30.50 2b3a s GLN 63 CO 0.06 0.30 -0.21 0.42 -2.12 0.00 0.00 175.29 173.73 2b3a s ILE 64 N -0.15 1.84 0.00 1.08 1.09 0.15 -0.41 121.20 124.80 2b3a s ILE 64 Ca 0.40 -0.89 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 2b3a s ILE 64 Cb -0.21 -1.60 0.00 0.00 -1.06 0.00 0.00 42.46 39.59 2b3a s ILE 64 CO 0.24 0.51 0.00 0.18 -0.10 0.00 0.00 174.94 175.78 2b3a n LEU 65 N 3.57 0.00 0.00 2.97 4.32 -1.26 -2.48 117.00 124.12 2b3a n LEU 65 Ca -0.20 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.60 2b3a n LEU 65 Cb 0.53 -0.09 -0.06 0.00 -1.62 0.00 0.00 43.42 42.18 2b3a n LEU 65 CO 0.27 -0.17 -0.12 -1.54 -1.22 0.00 0.00 177.39 174.62 2b3a n SER 66 N -1.69 0.78 -4.32 -1.43 3.41 -1.26 -4.90 113.62 104.22 2b3a n SER 66 Ca 0.00 -2.73 -0.43 0.00 -0.26 0.00 0.00 58.87 55.44 2b3a n SER 66 Cb 0.00 0.94 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 2b3a n SER 66 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2b3a n ASP 67 N -1.71 4.93 0.07 4.04 2.03 -1.26 -4.05 116.55 120.60 2b3a n ASP 67 Ca -0.02 -2.96 0.00 0.00 0.52 0.00 0.00 54.79 52.33 2b3a n ASP 67 Cb 0.49 -1.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.26 2b3a n ASP 67 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2b3a n ASP 68 N 6.39 -1.30 -3.96 1.67 5.75 -1.26 -5.09 116.55 118.74 2b3a n ASP 68 Ca 0.44 0.30 -0.31 0.00 -0.01 0.00 0.00 54.79 55.21 2b3a n ASP 68 Cb 0.42 1.51 -0.15 0.00 -1.03 0.00 0.00 41.12 41.87 2b3a n ASP 68 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2b3a s ARG 69 N -1.34 1.74 0.02 0.11 0.52 -1.26 -5.09 118.95 113.66 2b3a s ARG 69 Ca 0.00 -1.05 0.06 0.00 -0.52 0.00 0.00 55.73 54.22 2b3a s ARG 69 Cb 0.00 -2.64 -0.02 0.00 0.52 0.00 0.00 34.95 32.81 2b3a s ARG 69 CO 0.00 -0.59 -0.19 0.15 0.02 0.00 0.00 175.30 174.69 2b3a s LYS 70 N 1.34 1.41 -0.17 3.54 1.02 -1.26 -4.18 119.74 121.44 2b3a s LYS 70 Ca -0.06 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.13 2b3a s LYS 70 Cb -0.19 -1.45 0.02 0.00 -0.52 0.00 0.00 37.83 35.70 2b3a s LYS 70 CO -0.06 0.38 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.06 2b3a s LEU 71 N -0.84 2.03 -0.00 3.17 1.43 0.45 -4.95 118.68 119.97 2b3a s LEU 71 Ca 0.07 -0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 52.25 2b3a s LEU 71 Cb -0.08 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 2b3a s LEU 71 CO 0.01 -0.02 0.99 -0.54 0.23 0.00 0.00 176.35 177.02 2b3a s LYS 72 N 1.34 4.55 -0.32 1.70 1.02 -1.26 0.10 119.74 126.87 2b3a s LYS 72 Ca 0.05 1.43 -0.11 0.00 0.02 0.00 0.00 55.97 57.36 2b3a s LYS 72 Cb -0.13 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.70 2b3a s LYS 72 CO -0.12 -0.07 0.20 0.42 -0.92 0.00 0.00 175.35 174.86 2b3a s ILE 73 N 1.05 5.06 0.03 2.17 -1.09 0.18 -4.92 121.20 123.69 2b3a s ILE 73 Ca 0.52 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 2b3a s ILE 73 Cb -0.21 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.13 2b3a s ILE 73 CO 0.28 0.08 0.04 -0.81 -1.23 0.00 0.00 174.94 173.29 2b3a n PRO 74 N 5.06 0.62 -0.01 2.79 -0.04 -1.26 -4.37 135.00 137.79 2b3a n PRO 74 Ca -0.13 -0.11 -0.09 0.00 -0.04 0.00 0.00 63.50 63.13 2b3a n PRO 74 Cb 0.50 -0.02 -0.14 0.00 -0.04 0.00 0.00 33.50 33.80 2b3a n PRO 74 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2b3a h GLU 75 N 0.00 0.02 0.00 0.54 -0.00 -1.98 -3.35 114.58 109.81 2b3a h GLU 75 Ca -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 2b3a h GLU 75 Cb 0.05 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.81 2b3a h GLU 75 CO 0.01 0.56 -0.11 -1.71 -0.00 0.00 0.00 179.01 177.77 2b3a n ASN 76 N -3.09 0.14 -4.88 3.06 4.05 -1.26 -4.25 115.26 109.03 2b3a n ASN 76 Ca -0.17 0.35 -0.35 0.00 0.45 0.00 0.00 54.58 54.86 2b3a n ASN 76 Cb 1.05 -0.35 -0.05 0.00 1.23 0.00 0.00 39.78 41.65 2b3a n ASN 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2b3a s ALA 77 N -3.01 3.85 0.35 5.20 0.00 -1.26 -5.06 121.76 121.84 2b3a s ALA 77 Ca 0.13 -0.58 -0.26 0.00 0.00 0.00 0.00 51.96 51.25 2b3a s ALA 77 Cb 0.18 -2.05 -0.09 0.00 0.00 0.00 0.00 23.12 21.16 2b3a s ALA 77 CO 0.57 0.64 1.06 -0.80 0.00 0.00 0.00 175.76 177.23 2b3a s ASN 78 N -1.52 6.98 0.21 0.00 0.02 -1.26 -3.70 114.94 115.67 2b3a s ASN 78 Ca 0.24 2.12 -0.10 0.00 -1.02 0.00 0.00 52.86 54.11 2b3a s ASN 78 Cb -0.13 -2.60 0.18 0.00 0.02 0.00 0.00 41.25 38.71 2b3a s ASN 78 CO 0.13 -0.34 1.88 0.58 0.02 0.00 0.00 177.10 179.38 2b3a h VAL 79 N 2.57 1.18 0.00 1.60 2.07 -1.90 0.17 116.25 121.94 2b3a h VAL 79 Ca -0.48 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2b3a h VAL 79 Cb 1.21 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2b3a h VAL 79 CO 0.64 0.19 -0.10 -0.26 0.02 0.00 0.00 177.57 178.06 2b3a h PHE 80 N 1.03 0.00 0.00 1.57 0.04 -1.92 0.84 116.94 118.50 2b3a h PHE 80 Ca 0.29 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.96 2b3a h PHE 80 Cb -0.10 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 2b3a h PHE 80 CO -0.02 0.10 -2.04 0.66 -0.60 0.00 0.00 178.31 176.40 2b3a n TYR 81 N -4.27 0.07 0.11 -0.55 4.01 -0.78 -4.21 117.16 111.55 2b3a n TYR 81 Ca -0.03 0.02 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 2b3a n TYR 81 Cb 0.17 -0.67 0.01 0.00 -0.31 0.00 0.00 39.34 38.54 2b3a n TYR 81 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2b3a h ALA 82 N 1.72 0.62 -2.33 -0.72 0.00 -0.17 -3.47 119.26 114.91 2b3a h ALA 82 Ca -0.15 -0.21 -0.50 0.00 0.00 0.00 0.00 54.91 54.05 2b3a h ALA 82 Cb 1.35 0.05 0.05 0.00 0.00 0.00 0.00 17.79 19.24 2b3a h ALA 82 CO 0.01 0.24 0.26 0.00 0.00 0.00 0.00 179.25 179.76 2b3a s MET 83 N -3.22 3.53 -0.00 0.00 0.23 0.24 -5.01 119.30 115.07 2b3a s MET 83 Ca 0.00 0.45 0.10 0.00 -1.03 0.00 0.00 55.69 55.22 2b3a s MET 83 Cb 0.09 -2.23 -0.23 0.00 -1.53 0.00 0.00 34.83 30.93 2b3a s MET 83 CO 0.77 -0.41 0.81 -2.95 -2.03 0.00 0.00 175.02 171.22 2b3a h ASN 84 N -0.06 0.02 0.00 -1.18 7.08 -1.90 -3.48 115.58 116.06 2b3a h ASN 84 Ca -0.45 -0.04 0.00 0.00 -3.08 0.00 0.00 56.30 52.73 2b3a h ASN 84 Cb 1.20 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 37.43 2b3a h ASN 84 CO 0.62 1.03 0.00 -1.54 -2.08 0.00 0.00 177.43 175.46 2b3a n SER 85 N -3.14 0.00 0.00 6.14 3.41 -1.26 -4.32 113.62 114.45 2b3a n SER 85 Ca -0.13 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.59 2b3a n SER 85 Cb 1.02 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 65.55 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 0.00 0.28 -4.47 6.66 -1.04 -1.26 -4.81 114.28 109.64 2b3a n THR 86 Ca 0.00 0.07 -0.23 0.00 -2.04 0.00 0.00 64.05 61.85 2b3a n THR 86 Cb 0.00 -0.68 -0.10 0.00 -1.82 0.00 0.00 70.33 67.73 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 -2.63 2.55 0.89 2.41 0.00 -1.26 -5.13 121.76 118.58 2b3a s ALA 87 Ca 0.21 -1.80 -0.13 0.00 0.00 0.00 0.00 51.96 50.24 2b3a s ALA 87 Cb 0.16 0.67 0.07 0.00 0.00 0.00 0.00 23.12 24.01 2b3a s ALA 87 CO 0.37 -0.31 0.78 0.27 0.00 0.00 0.00 175.76 176.87 2b3a n ASN 88 N -0.85 -0.71 -3.86 0.00 6.94 -1.26 -4.94 115.26 110.57 2b3a n ASN 88 Ca -0.04 0.44 -0.29 0.00 -0.02 0.00 0.00 54.58 54.67 2b3a n ASN 88 Cb 0.66 -1.34 -0.10 0.00 -2.36 0.00 0.00 39.78 36.64 2b3a n ASN 88 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2b3a n TYR 89 N -3.57 3.46 -4.32 -2.53 0.18 -1.26 -4.73 117.16 104.39 2b3a n TYR 89 Ca 0.10 -4.25 -0.34 0.00 1.88 0.00 0.00 57.90 55.29 2b3a n TYR 89 Cb 0.52 -0.70 -0.12 0.00 -0.38 0.00 0.00 39.34 38.66 2b3a n TYR 89 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2b3a s ASP 90 N -1.44 4.92 -0.07 9.48 2.15 -1.03 -2.34 116.67 128.33 2b3a s ASP 90 Ca 0.28 -0.10 0.04 0.00 0.43 0.00 0.00 52.55 53.20 2b3a s ASP 90 Cb -0.02 -1.81 -0.00 0.00 -0.30 0.00 0.00 42.92 40.79 2b3a s ASP 90 CO -0.14 0.16 -0.21 -0.36 -0.17 0.00 0.00 175.17 174.46 2b3a s PHE 91 N 0.40 2.15 -0.05 -5.34 0.40 -0.12 0.34 117.98 115.76 2b3a s PHE 91 Ca -0.03 -0.76 0.06 0.00 -0.60 0.00 0.00 56.93 55.60 2b3a s PHE 91 Cb -0.14 -1.45 -0.01 0.00 0.51 0.00 0.00 43.02 41.93 2b3a s PHE 91 CO 0.02 -0.29 -0.24 0.08 0.70 0.00 0.00 175.22 175.49 2b3a s VAL 92 N 0.22 1.96 -0.25 -0.44 1.01 0.10 -1.05 120.40 121.96 2b3a s VAL 92 Ca -0.12 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 60.77 2b3a s VAL 92 Cb -0.15 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2b3a s VAL 92 CO 0.05 0.55 0.08 -0.22 0.00 0.00 0.00 175.10 175.56 2b3a s LEU 93 N -0.14 3.48 0.05 3.92 2.96 -0.32 -0.07 118.68 128.56 2b3a s LEU 93 Ca -0.03 -0.19 0.08 0.00 -0.22 0.00 0.00 54.13 53.77 2b3a s LEU 93 Cb -0.13 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 2b3a s LEU 93 CO 0.03 -0.03 -0.22 -1.59 -1.32 0.00 0.00 176.35 173.22 2b3a s LYS 94 N 1.60 1.43 0.38 1.98 0.00 0.09 -1.09 119.74 124.14 2b3a s LYS 94 Ca 0.06 -1.00 -0.18 0.00 0.00 0.00 0.00 55.97 54.85 2b3a s LYS 94 Cb -0.15 -1.58 -0.10 0.00 0.00 0.00 0.00 37.83 36.00 2b3a s LYS 94 CO 0.04 0.40 0.85 0.21 0.00 0.00 0.00 175.35 176.85 2b3a s LYS 95 N -1.29 4.11 -0.22 1.78 2.20 -1.26 -0.04 119.74 125.03 2b3a s LYS 95 Ca 0.08 0.90 0.15 0.00 -0.36 0.00 0.00 55.97 56.74 2b3a s LYS 95 Cb -0.09 -2.30 0.72 0.00 -1.51 0.00 0.00 37.83 34.65 2b3a s LYS 95 CO 0.02 0.05 1.64 0.54 -0.36 0.00 0.00 175.35 177.24 2b3a n ARG 96 N -0.54 4.21 0.00 4.03 1.74 0.21 -4.87 116.66 121.44 2b3a n ARG 96 Ca 0.05 -3.05 0.00 0.00 -0.77 0.00 0.00 57.85 54.08 2b3a n ARG 96 Cb 0.54 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 2b3a n ARG 96 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52