#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 -2.67 4.07 0.21 0.00 1.10 -1.26 -0.72 121.20 121.93 2b3a s ILE 14 Ca -0.04 -0.31 0.06 0.00 -0.51 0.00 0.00 60.65 59.85 2b3a s ILE 14 Cb -0.00 -2.76 -0.05 0.00 0.15 0.00 0.00 42.46 39.80 2b3a s ILE 14 CO -0.04 0.53 -0.10 0.27 -2.11 0.00 0.00 174.94 173.49 2b3a s ILE 15 N -0.05 1.52 0.02 2.00 -4.36 0.65 -4.96 121.20 116.02 2b3a s ILE 15 Ca 0.02 -2.14 0.04 0.00 -0.26 0.00 0.00 60.65 58.32 2b3a s ILE 15 Cb -0.13 -2.14 -0.03 0.00 1.25 0.00 0.00 42.46 41.41 2b3a s ILE 15 CO 0.02 -0.52 -0.09 -0.60 0.24 0.00 0.00 174.94 173.99 2b3a s ARG 16 N -3.71 2.41 -0.05 0.37 3.52 -0.60 -0.27 118.95 120.62 2b3a s ARG 16 Ca 0.24 -0.81 0.02 0.00 -0.13 0.00 0.00 55.73 55.05 2b3a s ARG 16 Cb 0.02 -2.41 0.01 0.00 -1.56 0.00 0.00 34.95 31.00 2b3a s ARG 16 CO 0.07 0.58 -0.10 0.08 -0.81 0.00 0.00 175.30 175.12 2b3a s VAL 17 N -1.00 0.95 0.08 7.11 1.01 0.64 -1.16 120.40 128.03 2b3a s VAL 17 Ca 0.17 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 2b3a s VAL 17 Cb -0.11 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2b3a s VAL 17 CO 0.08 0.31 0.02 -0.94 0.00 0.00 0.00 175.10 174.57 2b3a s SER 18 N 0.61 0.40 0.24 3.32 1.04 0.15 -2.50 113.70 116.96 2b3a s SER 18 Ca -0.12 -1.03 0.09 0.00 0.48 0.00 0.00 55.95 55.38 2b3a s SER 18 Cb -0.14 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 2b3a s SER 18 CO 0.02 -0.66 0.02 -0.76 0.98 0.00 0.00 173.24 172.84 2b3a s LEU 19 N -2.95 3.28 -0.05 2.42 1.43 -1.20 -2.52 118.68 119.09 2b3a s LEU 19 Ca 0.12 -0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 2b3a s LEU 19 Cb 0.07 -1.83 -0.11 0.00 0.03 0.00 0.00 46.19 44.35 2b3a s LEU 19 CO -0.06 0.02 0.66 -0.78 0.23 0.00 0.00 176.35 176.41 2b3a h ASP 20 N 2.03 -0.29 -0.72 2.29 1.82 -1.87 -3.27 116.42 116.41 2b3a h ASP 20 Ca -0.45 -0.15 0.18 0.00 -0.39 0.00 0.00 57.03 56.21 2b3a h ASP 20 Cb 1.24 0.08 -0.04 0.00 0.68 0.00 0.00 39.33 41.28 2b3a h ASP 20 CO 0.60 0.20 0.50 0.58 -1.61 0.00 0.00 179.24 179.51 2b3a h VAL 21 N -1.01 0.72 -2.38 2.25 2.07 -1.97 -3.35 116.25 112.58 2b3a h VAL 21 Ca -0.04 -0.07 -0.30 0.00 0.82 0.00 0.00 66.70 67.12 2b3a h VAL 21 Cb 0.43 0.50 -0.35 0.00 -1.52 0.00 0.00 31.29 30.35 2b3a h VAL 21 CO 0.06 0.04 -0.61 -0.62 0.02 0.00 0.00 177.57 176.46 2b3a s ASP 22 N -5.94 1.31 -0.45 0.57 -1.08 -1.25 -5.09 116.67 104.73 2b3a s ASP 22 Ca -0.06 -0.27 0.03 0.00 -0.52 0.00 0.00 52.55 51.73 2b3a s ASP 22 Cb 0.21 0.49 0.12 0.00 -1.46 0.00 0.00 42.92 42.28 2b3a s ASP 22 CO 0.76 -0.34 0.20 0.21 0.52 0.00 0.00 175.17 176.52 2b3a s ASN 23 N 2.36 4.21 0.00 -0.34 3.84 -1.23 -3.21 114.94 120.58 2b3a s ASN 23 Ca 0.08 -2.65 0.00 0.00 0.21 0.00 0.00 52.86 50.50 2b3a s ASN 23 Cb -0.15 -1.43 0.00 0.00 -0.55 0.00 0.00 41.25 39.12 2b3a s ASN 23 CO -0.16 -0.28 0.00 0.61 -2.79 0.00 0.00 177.10 174.47 2b3a n GLY 24 N 3.57 0.85 3.16 1.21 0.00 -1.26 -5.02 105.19 107.69 2b3a n GLY 24 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2b3a n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b3a s ASN 25 N -0.56 6.10 0.24 1.61 4.22 -1.26 -4.98 114.94 120.31 2b3a s ASN 25 Ca 0.00 -3.46 0.00 0.00 -2.14 0.00 0.00 52.86 47.26 2b3a s ASN 25 Cb 0.00 -1.96 0.00 0.00 1.28 0.00 0.00 41.25 40.57 2b3a s ASN 25 CO 0.00 -0.26 0.00 0.23 -2.04 0.00 0.00 177.10 175.03 2b3a n MET 26 N 2.73 -1.42 0.00 3.55 2.81 -1.26 -5.07 117.12 118.46 2b3a n MET 26 Ca 0.19 1.13 0.00 0.00 -1.81 0.00 0.00 57.70 57.21 2b3a n MET 26 Cb 0.38 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 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 -2.48 0.00 -3.78 2.03 4.02 -1.21 -5.03 117.16 110.71 2b3a n TYR 27 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.77 2b3a n TYR 27 Cb 0.23 0.16 -0.06 0.00 -0.02 0.00 0.00 39.34 39.65 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 -0.48 0.91 -0.01 -0.72 -2.85 -1.04 -5.01 119.74 110.54 2b3a s LYS 28 Ca 0.00 -0.85 0.02 0.00 -1.00 0.00 0.00 55.97 54.14 2b3a s LYS 28 Cb 0.00 0.38 -0.03 0.00 -2.06 0.00 0.00 37.83 36.12 2b3a s LYS 28 CO 0.00 -0.32 -0.05 -1.12 0.10 0.00 0.00 175.35 173.97 2b3a s SER 29 N -2.80 4.76 -0.08 0.03 0.01 -1.26 -0.26 113.70 114.10 2b3a s SER 29 Ca 0.04 -0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.26 2b3a s SER 29 Cb 0.04 -1.16 -0.00 0.00 0.21 0.00 0.00 66.02 65.10 2b3a s SER 29 CO -0.11 0.29 -0.24 -0.63 0.41 0.00 0.00 173.24 172.97 2b3a s ILE 30 N -0.99 2.00 -0.35 1.44 -1.09 0.63 -4.93 121.20 117.91 2b3a s ILE 30 Ca 0.17 -1.01 -0.19 0.00 -2.23 0.00 0.00 60.65 57.38 2b3a s ILE 30 Cb -0.11 -1.72 0.00 0.00 -1.58 0.00 0.00 42.46 39.05 2b3a s ILE 30 CO 0.07 0.55 0.57 -0.22 -1.23 0.00 0.00 174.94 174.69 2b3a s LEU 31 N 0.11 4.31 -0.17 2.97 0.20 -1.26 -0.26 118.68 124.59 2b3a s LEU 31 Ca -0.11 0.04 -0.09 0.00 0.69 0.00 0.00 54.13 54.67 2b3a s LEU 31 Cb -0.16 -2.68 -0.05 0.00 -0.43 0.00 0.00 46.19 42.87 2b3a s LEU 31 CO 0.06 -0.54 0.12 0.54 -0.29 0.00 0.00 176.35 176.24 2b3a s VAL 32 N 2.55 5.34 0.35 1.68 0.11 0.10 -4.91 120.40 125.61 2b3a s VAL 32 Ca 0.21 0.16 0.03 0.00 -2.93 0.00 0.00 61.98 59.45 2b3a s VAL 32 Cb -0.15 -3.39 -0.02 0.00 -1.53 0.00 0.00 36.38 31.29 2b3a s VAL 32 CO 0.14 0.50 0.52 0.42 -3.33 0.00 0.00 175.10 173.35 2b3a s THR 33 N -0.11 4.56 0.26 5.04 -4.23 -1.26 -1.69 115.64 118.21 2b3a s THR 33 Ca 0.10 -0.74 0.03 0.00 -1.18 0.00 0.00 61.69 59.89 2b3a s THR 33 Cb -0.11 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 70.10 2b3a s THR 33 CO 0.00 -0.34 1.64 0.77 -0.54 0.00 0.00 174.62 176.16 2b3a h SER 34 N 0.79 0.41 -0.44 3.99 4.64 -1.62 -3.01 113.55 118.31 2b3a h SER 34 Ca -0.48 -0.18 -0.13 0.00 -0.47 0.00 0.00 61.79 60.52 2b3a h SER 34 Cb 1.24 -0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 63.14 2b3a h SER 34 CO 0.58 0.79 0.17 1.67 -0.87 0.00 0.00 176.83 179.16 2b3a n GLN 35 N -4.01 2.57 -4.04 4.77 -0.06 -1.26 -4.72 117.38 110.63 2b3a n GLN 35 Ca -0.02 -1.78 -0.34 0.00 -2.00 0.00 0.00 57.00 52.86 2b3a n GLN 35 Cb 0.51 -1.83 -0.15 0.00 -4.06 0.00 0.00 30.24 24.71 2b3a n GLN 35 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2b3a s ASP 36 N -0.39 3.67 0.59 1.69 2.15 -1.14 -5.10 116.67 118.14 2b3a s ASP 36 Ca 0.32 -0.65 -0.08 0.00 0.43 0.00 0.00 52.55 52.57 2b3a s ASP 36 Cb 0.26 -1.58 -0.02 0.00 -0.30 0.00 0.00 42.92 41.28 2b3a s ASP 36 CO 0.08 -0.03 0.95 -0.54 -0.17 0.00 0.00 175.17 175.46 2b3a s LYS 37 N 1.34 3.26 0.18 4.34 1.02 -1.26 -4.73 119.74 123.89 2b3a s LYS 37 Ca 0.04 0.36 -0.13 0.00 0.02 0.00 0.00 55.97 56.26 2b3a s LYS 37 Cb -0.14 -2.19 0.12 0.00 -0.52 0.00 0.00 37.83 35.10 2b3a s LYS 37 CO -0.09 -0.61 1.82 0.00 -0.92 0.00 0.00 175.35 175.55 2b3a h ALA 38 N -0.21 0.71 -0.95 5.17 0.00 -1.84 0.08 119.26 122.22 2b3a h ALA 38 Ca -0.45 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.51 2b3a h ALA 38 Cb 1.22 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2b3a h ALA 38 CO 0.62 0.03 0.62 -1.00 0.00 0.00 0.00 179.25 179.52 2b3a h PRO 39 N 0.64 1.07 -0.23 0.00 0.13 -1.83 0.15 132.00 131.94 2b3a h PRO 39 Ca 0.23 -0.06 -0.17 0.00 -0.87 0.00 0.00 66.00 65.12 2b3a h PRO 39 Cb 0.04 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 30.93 2b3a h PRO 39 CO -0.11 0.71 -0.56 0.00 -0.23 0.00 0.00 178.00 177.81 2b3a h ALA 40 N 1.48 0.59 -0.47 -0.56 0.00 -1.75 -2.56 119.26 115.99 2b3a h ALA 40 Ca 0.41 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2b3a h ALA 40 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2b3a h ALA 40 CO -0.15 0.69 0.07 0.28 0.00 0.00 0.00 179.25 180.14 2b3a h VAL 41 N 0.53 1.22 -0.46 0.00 2.07 -0.19 0.52 116.25 119.93 2b3a h VAL 41 Ca 0.01 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.76 2b3a h VAL 41 Cb 1.14 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 2b3a h VAL 41 CO 0.11 0.30 0.15 0.40 0.02 0.00 0.00 177.57 178.55 2b3a h ILE 42 N 0.71 0.82 -0.43 4.57 2.04 -0.35 0.12 117.51 124.99 2b3a h ILE 42 Ca 0.15 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 2b3a h ILE 42 Cb 0.33 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2b3a h ILE 42 CO 0.01 0.06 0.06 -0.09 0.00 0.00 0.00 178.15 178.18 2b3a h ARG 43 N 0.31 0.71 -0.38 2.37 2.43 -0.93 -2.45 114.38 116.43 2b3a h ARG 43 Ca 0.22 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2b3a h ARG 43 Cb 0.24 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2b3a h ARG 43 CO -0.24 0.75 0.23 0.87 -1.51 0.00 0.00 179.97 180.07 2b3a h LYS 44 N 0.56 0.51 -0.06 0.20 1.79 -0.02 0.56 116.57 120.12 2b3a h LYS 44 Ca 0.13 -0.04 -0.22 0.00 -2.18 0.00 0.00 60.65 58.34 2b3a h LYS 44 Cb 0.39 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2b3a h LYS 44 CO 0.01 0.38 -0.85 0.00 -1.08 0.00 0.00 179.45 177.91 2b3a h ALA 45 N 1.10 0.39 -0.18 3.86 0.00 -0.80 0.11 119.26 123.75 2b3a h ALA 45 Ca 0.14 -0.65 -0.16 0.00 0.00 0.00 0.00 54.91 54.24 2b3a h ALA 45 Cb -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2b3a h ALA 45 CO -0.03 0.75 -0.54 0.00 0.00 0.00 0.00 179.25 179.43 2b3a h MET 46 N 0.35 0.53 -0.59 0.00 -0.00 -1.31 -3.01 114.93 110.90 2b3a h MET 46 Ca -0.06 -0.33 0.06 0.00 -0.00 0.00 0.00 59.70 59.36 2b3a h MET 46 Cb 1.47 0.04 -0.05 0.00 -0.00 0.00 0.00 31.60 33.05 2b3a h MET 46 CO 0.16 0.93 0.30 0.22 -0.00 0.00 0.00 176.91 178.52 2b3a h ASP 47 N 0.41 0.43 0.26 -0.10 1.82 0.41 -1.50 116.42 118.14 2b3a h ASP 47 Ca 0.01 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 2b3a h ASP 47 Cb 1.08 -0.05 -0.00 0.00 0.68 0.00 0.00 39.33 41.04 2b3a h ASP 47 CO 0.10 0.29 -0.06 0.50 -1.61 0.00 0.00 179.24 178.46 2b3a h LYS 48 N 0.57 0.00 -0.19 0.28 1.63 -0.85 0.25 116.57 118.26 2b3a h LYS 48 Ca 0.26 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 2b3a h LYS 48 Cb 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 2b3a h LYS 48 CO -0.18 0.06 0.00 0.72 -3.45 0.00 0.00 179.45 176.59 2b3a n HIS 49 N -3.53 0.23 -3.26 1.91 8.25 -0.68 -4.95 115.22 113.19 2b3a n HIS 49 Ca -0.02 -0.11 -0.14 0.00 -0.26 0.00 0.00 57.72 57.18 2b3a n HIS 49 Cb 0.17 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.34 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 0.83 -6.70 -2.11 0.41 2.85 0.88 -4.94 115.26 106.47 2b3a n ASN 50 Ca 0.17 -0.65 -0.27 0.00 -0.11 0.00 0.00 54.58 53.72 2b3a n ASN 50 Cb 0.46 -5.06 0.03 0.00 1.24 0.00 0.00 39.78 36.45 2b3a n ASN 50 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2b3a n LEU 51 N -3.11 5.64 0.30 1.20 4.77 -0.65 -4.74 117.00 120.41 2b3a n LEU 51 Ca -0.06 -4.64 0.18 0.00 -0.03 0.00 0.00 56.01 51.45 2b3a n LEU 51 Cb 0.60 -0.51 0.94 0.00 -2.33 0.00 0.00 43.42 42.13 2b3a n LEU 51 CO 0.59 1.95 1.09 -0.33 -1.33 0.00 0.00 177.39 179.35 2b3a h GLU 52 N 2.15 0.00 0.00 3.23 5.08 -1.85 0.02 114.58 123.20 2b3a h GLU 52 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 2b3a h GLU 52 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2b3a h GLU 52 CO 0.98 0.04 0.00 1.05 -1.00 0.00 0.00 179.01 180.07 2b3a h GLU 53 N 0.00 0.00 -6.52 2.33 4.11 -1.98 -3.43 114.58 109.10 2b3a h GLU 53 Ca -0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.75 2b3a h GLU 53 Cb 0.18 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.22 2b3a h GLU 53 CO 0.00 0.00 -0.79 -1.21 0.07 0.00 0.00 179.01 177.09 2b3a s GLU 54 N -3.38 2.17 0.02 1.06 0.41 -0.01 -5.13 118.70 113.84 2b3a s GLU 54 Ca 0.05 -0.93 0.02 0.00 -0.41 0.00 0.00 54.97 53.70 2b3a s GLU 54 Cb 0.09 -2.25 -0.04 0.00 -1.78 0.00 0.00 34.13 30.15 2b3a s GLU 54 CO 0.50 0.55 -0.00 -1.21 -0.49 0.00 0.00 175.26 174.62 2b3a s GLU 55 N -1.42 2.73 0.22 1.61 8.01 -1.26 -4.93 118.70 123.65 2b3a s GLU 55 Ca 0.15 -0.67 0.17 0.00 0.01 0.00 0.00 54.97 54.64 2b3a s GLU 55 Cb -0.11 -2.63 0.85 0.00 -4.31 0.00 0.00 34.13 27.93 2b3a s GLU 55 CO 0.06 0.60 1.53 -2.30 0.01 0.00 0.00 175.26 175.16 2b3a n PRO 56 N 1.20 0.11 -0.33 0.39 -0.02 -1.26 -2.36 135.00 132.74 2b3a n PRO 56 Ca -0.14 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 61.94 2b3a n PRO 56 Cb 0.52 -1.81 0.26 0.00 -0.02 0.00 0.00 33.50 32.45 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 0.94 -0.06 -0.52 4.39 -1.97 -2.18 114.58 115.18 2b3a h GLU 57 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2b3a h GLU 57 Cb 0.11 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2b3a h GLU 57 CO 0.00 0.62 0.00 -0.25 -1.16 0.00 0.00 179.01 178.22 2b3a n ASP 58 N -4.57 2.75 -4.55 1.42 8.00 -0.99 -5.00 116.55 113.60 2b3a n ASP 58 Ca 0.17 -1.85 -0.26 0.00 0.71 0.00 0.00 54.79 53.56 2b3a n ASP 58 Cb 0.32 -0.02 -0.11 0.00 -0.02 0.00 0.00 41.12 41.29 2b3a n ASP 58 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2b3a s TYR 59 N -1.66 2.36 0.18 1.24 1.51 -0.82 -0.76 117.35 119.40 2b3a s TYR 59 Ca 0.25 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 2b3a s TYR 59 Cb 0.17 -1.49 -0.05 0.00 -0.11 0.00 0.00 41.96 40.49 2b3a s TYR 59 CO 0.26 0.45 -0.00 -1.21 -1.11 0.00 0.00 175.55 173.94 2b3a s GLU 60 N -3.68 1.14 -0.11 -0.62 0.41 0.09 -4.81 118.70 111.12 2b3a s GLU 60 Ca 0.33 -1.55 0.03 0.00 -0.41 0.00 0.00 54.97 53.37 2b3a s GLU 60 Cb 0.06 -0.32 0.01 0.00 -1.78 0.00 0.00 34.13 32.10 2b3a s GLU 60 CO 0.16 -0.12 -0.21 -1.17 -0.49 0.00 0.00 175.26 173.43 2b3a s LEU 61 N -3.19 2.00 -0.07 1.80 0.20 -1.26 0.08 118.68 118.24 2b3a s LEU 61 Ca 0.24 -0.54 0.05 0.00 0.69 0.00 0.00 54.13 54.58 2b3a s LEU 61 Cb 0.06 -1.33 -0.00 0.00 -0.43 0.00 0.00 46.19 44.49 2b3a s LEU 61 CO 0.05 0.10 -0.23 -0.22 -0.29 0.00 0.00 176.35 175.75 2b3a s LEU 62 N 0.66 2.04 0.03 -0.68 0.20 0.11 -0.52 118.68 120.52 2b3a s LEU 62 Ca -0.12 -0.50 -0.25 0.00 0.69 0.00 0.00 54.13 53.95 2b3a s LEU 62 Cb -0.16 -1.32 -0.05 0.00 -0.43 0.00 0.00 46.19 44.23 2b3a s LEU 62 CO 0.03 0.19 0.77 -1.10 -0.29 0.00 0.00 176.35 175.95 2b3a s GLN 63 N 0.09 4.49 -0.13 1.98 -0.21 0.30 -0.11 119.66 126.07 2b3a s GLN 63 Ca -0.10 1.06 0.03 0.00 0.02 0.00 0.00 55.36 56.37 2b3a s GLN 63 Cb -0.15 -3.38 0.00 0.00 1.00 0.00 0.00 33.01 30.49 2b3a s GLN 63 CO 0.06 0.24 -0.22 0.42 -2.12 0.00 0.00 175.29 173.67 2b3a s ILE 64 N 0.09 2.17 -0.01 1.08 1.09 0.74 -0.31 121.20 126.05 2b3a s ILE 64 Ca 0.39 -0.96 -0.02 0.00 -1.10 0.00 0.00 60.65 58.96 2b3a s ILE 64 Cb -0.20 -1.86 -0.01 0.00 -1.06 0.00 0.00 42.46 39.33 2b3a s ILE 64 CO 0.23 0.55 -0.04 0.18 -0.10 0.00 0.00 174.94 175.75 2b3a n LEU 65 N 3.88 0.30 -4.24 2.97 4.32 -1.21 -2.47 117.00 120.54 2b3a n LEU 65 Ca -0.20 0.05 -0.17 0.00 -0.02 0.00 0.00 56.01 55.67 2b3a n LEU 65 Cb 0.52 -0.38 -0.08 0.00 -1.62 0.00 0.00 43.42 41.86 2b3a n LEU 65 CO 0.28 -0.49 -0.12 -0.44 -1.22 0.00 0.00 177.39 175.40 2b3a s SER 66 N -4.64 1.23 0.00 -1.43 0.01 -1.24 -4.90 113.70 102.73 2b3a s SER 66 Ca -0.03 -1.64 0.00 0.00 1.31 0.00 0.00 55.95 55.59 2b3a s SER 66 Cb 0.00 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.76 2b3a s SER 66 CO 0.05 -1.03 0.38 -0.90 0.41 0.00 0.00 173.24 172.16 2b3a n ASP 67 N -1.21 1.15 0.00 2.44 5.75 -1.26 -3.75 116.55 119.66 2b3a n ASP 67 Ca 0.06 -0.77 0.00 0.00 -0.01 0.00 0.00 54.79 54.07 2b3a n ASP 67 Cb 0.63 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 2b3a n ASP 67 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2b3a n ASP 68 N 0.80 0.00 -4.56 -1.12 2.03 -1.26 -5.01 116.55 107.43 2b3a n ASP 68 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 2b3a n ASP 68 Cb 0.19 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.56 2b3a n ASP 68 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2b3a s ARG 69 N -0.57 3.47 0.04 -0.67 1.81 -1.25 -4.99 118.95 116.79 2b3a s ARG 69 Ca 0.00 0.08 0.04 0.00 -1.72 0.00 0.00 55.73 54.14 2b3a s ARG 69 Cb 0.00 -4.00 -0.02 0.00 -0.45 0.00 0.00 34.95 30.48 2b3a s ARG 69 CO 0.00 -1.51 -0.13 0.15 -0.68 0.00 0.00 175.30 173.13 2b3a s LYS 70 N 4.37 0.87 -0.15 3.54 1.02 -1.26 -3.30 119.74 124.82 2b3a s LYS 70 Ca 0.38 -0.72 -0.00 0.00 0.02 0.00 0.00 55.97 55.64 2b3a s LYS 70 Cb -0.10 -0.85 0.04 0.00 -0.52 0.00 0.00 37.83 36.40 2b3a s LYS 70 CO 0.24 0.21 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.31 2b3a s LEU 71 N -1.11 1.53 -0.03 3.17 1.43 0.58 -4.96 118.68 119.28 2b3a s LEU 71 Ca 0.01 -0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 52.23 2b3a s LEU 71 Cb -0.08 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 2b3a s LEU 71 CO 0.01 -0.17 0.96 -0.54 0.23 0.00 0.00 176.35 176.84 2b3a s LYS 72 N 1.64 4.52 -0.33 1.70 1.02 -1.26 0.11 119.74 127.14 2b3a s LYS 72 Ca 0.02 1.36 -0.12 0.00 0.02 0.00 0.00 55.97 57.24 2b3a s LYS 72 Cb -0.15 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 2b3a s LYS 72 CO -0.08 -0.10 0.22 0.42 -0.92 0.00 0.00 175.35 174.90 2b3a s ILE 73 N 1.21 5.21 0.00 2.17 -1.09 0.32 -4.92 121.20 124.11 2b3a s ILE 73 Ca 0.50 -0.20 0.00 0.00 -2.23 0.00 0.00 60.65 58.72 2b3a s ILE 73 Cb -0.20 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 2b3a s ILE 73 CO 0.25 0.03 0.00 -0.81 -1.23 0.00 0.00 174.94 173.18 2b3a n PRO 74 N 5.09 1.98 -0.04 2.79 -0.04 -1.26 -4.15 135.00 139.36 2b3a n PRO 74 Ca -0.13 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.24 2b3a n PRO 74 Cb 0.50 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.81 2b3a n PRO 74 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2b3a n GLU 75 N -0.17 0.65 0.19 0.54 1.02 -1.26 -4.05 120.64 117.57 2b3a n GLU 75 Ca 0.00 0.22 0.13 0.00 -0.02 0.00 0.00 57.16 57.49 2b3a n GLU 75 Cb 0.00 -1.72 0.33 0.00 -0.02 0.00 0.00 31.44 30.03 2b3a n GLU 75 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2b3a h ASN 76 N 0.00 0.00 -3.21 1.62 -0.00 -2.02 -3.43 115.58 108.55 2b3a h ASN 76 Ca -0.36 0.00 -0.59 0.00 -0.00 0.00 0.00 56.30 55.35 2b3a h ASN 76 Cb 2.08 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 40.32 2b3a h ASN 76 CO 0.07 0.00 -0.19 0.00 -0.00 0.00 0.00 177.43 177.30 2b3a s ALA 77 N -3.26 3.58 0.35 1.57 0.00 -1.26 -5.05 121.76 117.68 2b3a s ALA 77 Ca 0.07 -0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.53 2b3a s ALA 77 Cb 0.08 -2.51 -0.10 0.00 0.00 0.00 0.00 23.12 20.60 2b3a s ALA 77 CO 0.61 0.19 0.99 -0.80 0.00 0.00 0.00 175.76 176.76 2b3a s ASN 78 N -0.03 7.13 0.18 0.00 0.02 -1.26 -4.34 114.94 116.63 2b3a s ASN 78 Ca 0.23 1.94 -0.14 0.00 -1.02 0.00 0.00 52.86 53.88 2b3a s ASN 78 Cb -0.15 -2.59 0.07 0.00 0.02 0.00 0.00 41.25 38.60 2b3a s ASN 78 CO 0.10 -0.22 1.84 0.58 0.02 0.00 0.00 177.10 179.42 2b3a h VAL 79 N 2.50 1.14 0.00 1.60 2.07 -1.93 0.20 116.25 121.83 2b3a h VAL 79 Ca -0.47 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2b3a h VAL 79 Cb 1.20 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2b3a h VAL 79 CO 0.64 0.14 -0.03 -0.26 0.02 0.00 0.00 177.57 178.08 2b3a h PHE 80 N 0.74 0.00 0.00 1.57 0.04 -1.92 0.34 116.94 117.71 2b3a h PHE 80 Ca 0.20 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.62 2b3a h PHE 80 Cb -0.08 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.00 2b3a h PHE 80 CO -0.04 0.03 -2.32 0.66 -0.60 0.00 0.00 178.31 176.04 2b3a n TYR 81 N -3.41 0.00 0.14 -0.55 4.02 -0.75 -4.53 117.16 112.08 2b3a n TYR 81 Ca -0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.98 2b3a n TYR 81 Cb 0.14 -0.93 -0.01 0.00 -0.02 0.00 0.00 39.34 38.51 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 -2.89 2.63 -1.79 -0.72 0.00 0.62 -4.93 120.51 113.44 2b3a n ALA 82 Ca -0.35 -0.28 -0.33 0.00 0.00 0.00 0.00 53.44 52.48 2b3a n ALA 82 Cb 1.05 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.36 3.86 0.43 0.00 0.23 0.08 -4.96 119.30 115.58 2b3a s MET 83 Ca -0.01 1.18 0.23 0.00 -1.03 0.00 0.00 55.69 56.06 2b3a s MET 83 Cb 0.11 -2.12 0.32 0.00 -1.53 0.00 0.00 34.83 31.61 2b3a s MET 83 CO 0.80 -0.36 1.59 -2.95 -2.03 0.00 0.00 175.02 172.07 2b3a h ASN 84 N 1.32 0.00 0.00 -1.18 -0.00 -1.89 -3.48 115.58 110.36 2b3a h ASN 84 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.82 2b3a h ASN 84 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.52 2b3a h ASN 84 CO 0.60 0.02 0.00 -1.20 -0.00 0.00 0.00 177.43 176.85 2b3a n SER 85 N -3.09 0.00 -0.32 6.14 7.64 -1.26 -4.44 113.62 118.28 2b3a n SER 85 Ca 0.04 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.03 2b3a n SER 85 Cb 0.54 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 64.03 2b3a n SER 85 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2b3a h THR 86 N 0.00 0.67 -1.95 0.44 2.02 -2.02 -3.45 112.91 108.61 2b3a h THR 86 Ca 0.00 -0.22 0.22 0.00 0.77 0.00 0.00 66.41 67.17 2b3a h THR 86 Cb 0.00 -0.04 -0.12 0.00 -1.74 0.00 0.00 68.15 66.25 2b3a h THR 86 CO 0.00 0.12 0.63 0.00 0.37 0.00 0.00 175.52 176.64 2b3a s ALA 87 N -5.90 -1.92 -0.83 6.16 0.00 -1.26 -5.02 121.76 113.00 2b3a s ALA 87 Ca -0.12 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 2b3a s ALA 87 Cb 0.24 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.76 2b3a s ALA 87 CO 0.79 -0.90 0.70 0.09 0.00 0.00 0.00 175.76 176.45 2b3a n ASN 88 N -0.37 -4.66 -3.07 0.00 3.02 -1.26 -4.85 115.26 104.07 2b3a n ASN 88 Ca -0.06 -0.32 -0.34 0.00 -0.03 0.00 0.00 54.58 53.83 2b3a n ASN 88 Cb 0.61 -3.26 -0.04 0.00 -0.61 0.00 0.00 39.78 36.49 2b3a n ASN 88 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2b3a n TYR 89 N -4.03 2.08 -4.00 3.10 0.18 -1.26 -4.22 117.16 109.01 2b3a n TYR 89 Ca 0.00 -2.52 -0.32 0.00 1.88 0.00 0.00 57.90 56.95 2b3a n TYR 89 Cb 0.54 -1.79 -0.06 0.00 -0.38 0.00 0.00 39.34 37.65 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 0.77 5.92 -0.02 9.48 -1.08 -1.03 -1.56 116.67 129.14 2b3a s ASP 90 Ca 0.59 0.16 0.02 0.00 -0.52 0.00 0.00 52.55 52.80 2b3a s ASP 90 Cb 0.25 -1.73 0.01 0.00 -1.46 0.00 0.00 42.92 39.98 2b3a s ASP 90 CO -0.12 0.21 -0.07 -0.36 0.52 0.00 0.00 175.17 175.35 2b3a s PHE 91 N -1.37 0.82 0.08 -5.34 0.40 -0.31 -0.18 117.98 112.08 2b3a s PHE 91 Ca 0.29 -0.20 0.10 0.00 -0.60 0.00 0.00 56.93 56.52 2b3a s PHE 91 Cb -0.12 -0.60 -0.03 0.00 0.51 0.00 0.00 43.02 42.77 2b3a s PHE 91 CO 0.21 -0.10 -0.26 0.08 0.70 0.00 0.00 175.22 175.86 2b3a s VAL 92 N 0.26 2.13 -0.12 -0.44 1.01 0.84 0.33 120.40 124.42 2b3a s VAL 92 Ca -0.04 -1.53 -0.06 0.00 0.00 0.00 0.00 61.98 60.35 2b3a s VAL 92 Cb -0.08 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2b3a s VAL 92 CO 0.00 0.22 0.11 -0.22 0.00 0.00 0.00 175.10 175.22 2b3a s LEU 93 N -1.59 4.22 0.07 3.92 0.20 -1.05 0.05 118.68 124.50 2b3a s LEU 93 Ca 0.12 0.39 0.08 0.00 0.69 0.00 0.00 54.13 55.41 2b3a s LEU 93 Cb -0.10 -2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 43.60 2b3a s LEU 93 CO 0.04 0.39 -0.18 -0.54 -0.29 0.00 0.00 176.35 175.77 2b3a s LYS 94 N -0.91 1.96 -0.11 1.98 1.02 0.11 -2.63 119.74 121.17 2b3a s LYS 94 Ca 0.14 -1.06 -0.19 0.00 0.02 0.00 0.00 55.97 54.89 2b3a s LYS 94 Cb -0.12 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 2b3a s LYS 94 CO 0.03 0.52 0.49 0.21 -0.92 0.00 0.00 175.35 175.68 2b3a s LYS 95 N -1.74 4.34 -0.24 1.68 2.20 -1.26 -0.73 119.74 123.99 2b3a s LYS 95 Ca 0.16 0.49 0.04 0.00 -0.36 0.00 0.00 55.97 56.30 2b3a s LYS 95 Cb -0.11 -3.43 -0.19 0.00 -1.51 0.00 0.00 37.83 32.59 2b3a s LYS 95 CO 0.07 0.16 -0.15 0.54 -0.36 0.00 0.00 175.35 175.62 2b3a n ARG 96 N 3.65 0.66 0.00 4.03 1.74 0.06 -4.94 116.66 121.86 2b3a n ARG 96 Ca -0.07 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2b3a n ARG 96 Cb 0.52 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2b3a n ARG 96 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36