#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 -2.59 4.08 0.21 0.00 -1.09 -1.26 -0.58 121.20 119.97 2b3a s ILE 14 Ca -0.05 -0.25 0.06 0.00 -2.23 0.00 0.00 60.65 58.18 2b3a s ILE 14 Cb -0.02 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.92 2b3a s ILE 14 CO -0.05 0.36 -0.10 0.27 -1.23 0.00 0.00 174.94 174.19 2b3a s ILE 15 N 1.54 1.54 0.12 2.92 -4.36 -0.32 -5.00 121.20 117.65 2b3a s ILE 15 Ca 0.06 -2.15 0.08 0.00 -0.26 0.00 0.00 60.65 58.38 2b3a s ILE 15 Cb -0.15 -2.13 -0.04 0.00 1.25 0.00 0.00 42.46 41.40 2b3a s ILE 15 CO 0.02 -0.53 -0.13 -0.60 0.24 0.00 0.00 174.94 173.94 2b3a s ARG 16 N -3.70 1.98 0.00 0.37 3.52 -0.94 -1.23 118.95 118.95 2b3a s ARG 16 Ca 0.24 -1.12 0.04 0.00 -0.13 0.00 0.00 55.73 54.76 2b3a s ARG 16 Cb 0.01 -2.21 -0.01 0.00 -1.56 0.00 0.00 34.95 31.18 2b3a s ARG 16 CO 0.07 0.49 -0.13 0.08 -0.81 0.00 0.00 175.30 174.99 2b3a s VAL 17 N -1.26 1.06 0.08 7.11 1.01 0.70 -1.00 120.40 128.11 2b3a s VAL 17 Ca 0.21 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 2b3a s VAL 17 Cb -0.11 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 2b3a s VAL 17 CO 0.13 0.23 0.08 -0.94 0.00 0.00 0.00 175.10 174.60 2b3a s SER 18 N -0.50 0.31 0.04 3.32 1.04 0.14 -1.88 113.70 116.16 2b3a s SER 18 Ca 0.04 -0.90 0.09 0.00 0.48 0.00 0.00 55.95 55.66 2b3a s SER 18 Cb -0.06 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 2b3a s SER 18 CO -0.00 -0.68 -0.26 -0.76 0.98 0.00 0.00 173.24 172.51 2b3a s LEU 19 N -2.92 2.16 0.12 2.42 1.43 0.12 -2.35 118.68 119.67 2b3a s LEU 19 Ca 0.09 -0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 52.52 2b3a s LEU 19 Cb 0.07 -1.30 -0.10 0.00 0.03 0.00 0.00 46.19 44.89 2b3a s LEU 19 CO -0.08 0.27 1.34 -0.78 0.23 0.00 0.00 176.35 177.33 2b3a h ASP 20 N 4.88 0.84 0.33 2.29 3.58 -1.72 -2.72 116.42 123.90 2b3a h ASP 20 Ca -0.46 -0.54 -0.01 0.00 0.42 0.00 0.00 57.03 56.44 2b3a h ASP 20 Cb 1.14 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.94 2b3a h ASP 20 CO 0.44 1.33 -0.03 0.58 -2.88 0.00 0.00 179.24 178.68 2b3a h VAL 21 N 0.48 0.17 0.00 2.25 2.07 -1.95 -3.39 116.25 115.89 2b3a h VAL 21 Ca -0.04 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2b3a h VAL 21 Cb 1.37 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2b3a h VAL 21 CO 0.15 0.03 0.00 -0.67 0.02 0.00 0.00 177.57 177.10 2b3a n ASP 22 N -3.27 0.00 -3.65 0.57 2.03 -1.24 -5.13 116.55 105.86 2b3a n ASP 22 Ca -0.02 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.30 2b3a n ASP 22 Cb 0.17 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.50 2b3a n ASP 22 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2b3a s ASN 23 N -3.63 -0.12 -0.41 1.67 3.84 -1.03 -5.03 114.94 110.24 2b3a s ASN 23 Ca 0.00 0.20 0.05 0.00 0.21 0.00 0.00 52.86 53.32 2b3a s ASN 23 Cb 0.00 0.89 0.50 0.00 -0.55 0.00 0.00 41.25 42.09 2b3a s ASN 23 CO 0.00 -0.03 1.60 0.61 -2.79 0.00 0.00 177.10 176.49 2b3a n GLY 24 N 2.89 5.44 2.71 1.21 0.00 -1.16 -0.70 105.19 115.58 2b3a n GLY 24 Ca -0.16 -1.81 -0.28 0.00 0.00 0.00 0.00 46.02 43.77 2b3a n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2b3a s ASN 25 N -2.45 3.52 -0.17 1.61 -0.87 -1.26 -4.90 114.94 110.41 2b3a s ASN 25 Ca 0.53 -3.27 -0.09 0.00 -1.57 0.00 0.00 52.86 48.45 2b3a s ASN 25 Cb 0.44 -1.13 0.04 0.00 -0.02 0.00 0.00 41.25 40.58 2b3a s ASN 25 CO 0.02 -0.16 0.18 0.23 -2.57 0.00 0.00 177.10 174.80 2b3a n MET 26 N 2.68 -3.94 -0.00 -0.60 2.81 -1.26 -5.04 117.12 111.76 2b3a n MET 26 Ca 0.19 3.03 -0.00 0.00 -1.81 0.00 0.00 57.70 59.11 2b3a n MET 26 Cb 0.38 -4.44 -0.00 0.00 -0.71 0.00 0.00 33.22 28.45 2b3a n MET 26 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 2b3a n TYR 27 N 1.71 0.00 -3.81 2.03 4.19 -0.79 -5.02 117.16 115.47 2b3a n TYR 27 Ca -0.31 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 60.81 2b3a n TYR 27 Cb 0.49 -0.01 -0.07 0.00 0.49 0.00 0.00 39.34 40.25 2b3a n TYR 27 CO 0.00 0.00 0.00 -1.59 0.91 0.00 0.00 176.86 176.18 2b3a s LYS 28 N -1.04 0.90 -0.01 2.98 -2.85 -0.88 -5.00 119.74 113.84 2b3a s LYS 28 Ca -0.01 -0.90 0.03 0.00 -1.00 0.00 0.00 55.97 54.10 2b3a s LYS 28 Cb 0.00 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 36.11 2b3a s LYS 28 CO 0.01 -0.30 -0.09 -1.12 0.10 0.00 0.00 175.35 173.95 2b3a s SER 29 N -2.85 4.46 0.03 0.03 0.01 -1.26 -0.21 113.70 113.91 2b3a s SER 29 Ca 0.05 -0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.19 2b3a s SER 29 Cb 0.04 -1.01 -0.02 0.00 0.21 0.00 0.00 66.02 65.24 2b3a s SER 29 CO -0.11 0.30 -0.15 -0.63 0.41 0.00 0.00 173.24 173.05 2b3a s ILE 30 N -0.94 1.23 -0.26 1.44 -1.09 -0.36 -4.98 121.20 116.23 2b3a s ILE 30 Ca 0.16 -0.97 -0.15 0.00 -2.23 0.00 0.00 60.65 57.46 2b3a s ILE 30 Cb -0.11 -1.09 -0.04 0.00 -1.58 0.00 0.00 42.46 39.65 2b3a s ILE 30 CO 0.06 0.10 0.37 -0.22 -1.23 0.00 0.00 174.94 174.03 2b3a s LEU 31 N -1.00 4.05 -0.16 2.97 0.20 -1.26 -1.17 118.68 122.31 2b3a s LEU 31 Ca 0.03 0.31 -0.07 0.00 0.69 0.00 0.00 54.13 55.10 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 0.01 -0.17 0.09 0.54 -0.29 0.00 0.00 176.35 176.53 2b3a s VAL 32 N 1.98 5.03 0.26 1.68 0.11 0.26 -4.90 120.40 124.81 2b3a s VAL 32 Ca 0.15 0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.30 2b3a s VAL 32 Cb -0.16 -3.24 -0.03 0.00 -1.53 0.00 0.00 36.38 31.43 2b3a s VAL 32 CO 0.10 0.51 0.35 0.42 -3.33 0.00 0.00 175.10 173.14 2b3a s THR 33 N -0.07 4.90 0.30 5.04 -4.23 -1.26 -1.14 115.64 119.18 2b3a s THR 33 Ca 0.08 -1.06 0.16 0.00 -1.18 0.00 0.00 61.69 59.69 2b3a s THR 33 Cb -0.12 -3.70 0.12 0.00 1.34 0.00 0.00 72.50 70.14 2b3a s THR 33 CO 0.01 -0.30 1.80 0.28 -0.54 0.00 0.00 174.62 175.87 2b3a h SER 34 N 1.18 0.00 0.45 3.99 0.02 -1.87 -2.86 113.55 114.46 2b3a h SER 34 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2b3a h SER 34 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2b3a h SER 34 CO 0.60 0.37 0.00 1.67 -1.14 0.00 0.00 176.83 178.33 2b3a n GLN 35 N -3.82 0.07 -4.61 3.45 7.27 -1.26 -4.66 117.38 113.82 2b3a n GLN 35 Ca -0.01 0.21 -0.33 0.00 0.07 0.00 0.00 57.00 56.94 2b3a n GLN 35 Cb 0.44 -1.50 -0.16 0.00 2.41 0.00 0.00 30.24 31.43 2b3a n GLN 35 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2b3a s ASP 36 N -2.86 3.38 0.63 1.69 2.15 -1.08 -5.11 116.67 115.47 2b3a s ASP 36 Ca 0.10 -0.54 -0.08 0.00 0.43 0.00 0.00 52.55 52.46 2b3a s ASP 36 Cb 0.10 -1.50 0.01 0.00 -0.30 0.00 0.00 42.92 41.23 2b3a s ASP 36 CO 0.26 0.08 0.98 -0.75 -0.17 0.00 0.00 175.17 175.58 2b3a s LYS 37 N 0.81 2.94 0.20 4.34 2.20 -1.26 -4.73 119.74 124.24 2b3a s LYS 37 Ca -0.06 0.22 -0.11 0.00 -0.36 0.00 0.00 55.97 55.66 2b3a s LYS 37 Cb -0.15 -2.17 0.18 0.00 -1.51 0.00 0.00 37.83 34.18 2b3a s LYS 37 CO -0.01 -0.81 1.83 0.00 -0.36 0.00 0.00 175.35 176.00 2b3a h ALA 38 N -0.36 0.86 -0.86 3.13 0.00 -1.81 0.06 119.26 120.27 2b3a h ALA 38 Ca -0.45 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2b3a h ALA 38 Cb 1.25 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2b3a h ALA 38 CO 0.62 0.14 0.57 -1.00 0.00 0.00 0.00 179.25 179.58 2b3a h PRO 39 N 0.78 1.10 -0.12 0.00 0.13 -1.81 0.20 132.00 132.28 2b3a h PRO 39 Ca 0.27 -0.07 -0.17 0.00 -0.87 0.00 0.00 66.00 65.16 2b3a h PRO 39 Cb 0.05 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 30.93 2b3a h PRO 39 CO -0.12 0.73 -0.64 0.00 -0.23 0.00 0.00 178.00 177.74 2b3a h ALA 40 N 1.47 0.67 -0.51 -0.56 0.00 -1.79 -1.65 119.26 116.90 2b3a h ALA 40 Ca 0.33 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2b3a h ALA 40 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2b3a h ALA 40 CO -0.08 0.72 0.01 0.28 0.00 0.00 0.00 179.25 180.18 2b3a h VAL 41 N 0.33 1.25 -0.38 0.00 2.07 -0.11 0.37 116.25 119.78 2b3a h VAL 41 Ca -0.01 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.55 2b3a h VAL 41 Cb 1.19 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 2b3a h VAL 41 CO 0.11 0.36 0.09 0.40 0.02 0.00 0.00 177.57 178.56 2b3a h ILE 42 N 0.79 0.83 -0.08 4.57 2.04 -0.25 0.73 117.51 126.14 2b3a h ILE 42 Ca 0.15 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 2b3a h ILE 42 Cb 0.46 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2b3a h ILE 42 CO 0.02 0.04 0.05 0.03 0.00 0.00 0.00 178.15 178.29 2b3a h ARG 43 N 0.22 0.11 -0.44 2.37 2.47 -0.42 -2.00 114.38 116.70 2b3a h ARG 43 Ca 0.18 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.88 2b3a h ARG 43 Cb 0.20 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.47 2b3a h ARG 43 CO -0.22 0.13 0.24 0.87 0.56 0.00 0.00 179.97 181.55 2b3a h LYS 44 N 0.07 0.61 -0.16 0.04 1.79 0.44 0.55 116.57 119.92 2b3a h LYS 44 Ca 0.03 -0.07 -0.22 0.00 -2.18 0.00 0.00 60.65 58.20 2b3a h LYS 44 Cb 0.04 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 30.58 2b3a h LYS 44 CO -0.01 0.49 -0.77 0.00 -1.08 0.00 0.00 179.45 178.08 2b3a h ALA 45 N 1.09 0.32 -0.19 3.86 0.00 -0.88 0.65 119.26 124.11 2b3a h ALA 45 Ca 0.15 -0.60 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 2b3a h ALA 45 Cb 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2b3a h ALA 45 CO -0.02 0.69 -0.54 0.00 0.00 0.00 0.00 179.25 179.37 2b3a h MET 46 N 0.54 0.57 -0.18 0.00 -0.00 -1.13 -2.75 114.93 111.98 2b3a h MET 46 Ca -0.05 -0.36 -0.01 0.00 -0.00 0.00 0.00 59.70 59.28 2b3a h MET 46 Cb 1.40 0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 33.03 2b3a h MET 46 CO 0.16 0.97 0.05 -0.44 -0.00 0.00 0.00 176.91 177.64 2b3a h ASP 47 N 0.44 0.22 1.00 -0.10 3.32 0.29 -0.68 116.42 120.90 2b3a h ASP 47 Ca 0.01 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2b3a h ASP 47 Cb 1.09 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 2b3a h ASP 47 CO 0.10 0.22 -0.07 0.50 -1.72 0.00 0.00 179.24 178.28 2b3a h LYS 48 N 0.25 0.00 0.00 3.56 1.63 -0.57 -2.20 116.57 119.23 2b3a h LYS 48 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2b3a h LYS 48 Cb 0.09 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 2b3a h LYS 48 CO -0.00 0.07 -1.34 0.72 -3.45 0.00 0.00 179.45 175.45 2b3a n HIS 49 N -3.20 0.30 -2.06 1.91 8.25 -0.38 -5.03 115.22 115.01 2b3a n HIS 49 Ca 0.00 0.09 -0.03 0.00 -0.26 0.00 0.00 57.72 57.53 2b3a n HIS 49 Cb 0.35 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 30.93 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 -2.17 -4.39 -3.05 0.41 2.85 -0.50 -5.01 115.26 103.40 2b3a n ASN 50 Ca -0.00 0.17 -0.26 0.00 -0.11 0.00 0.00 54.58 54.38 2b3a n ASN 50 Cb 0.50 -2.77 -0.05 0.00 1.24 0.00 0.00 39.78 38.70 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 -0.61 3.75 0.32 1.20 4.77 -1.20 -4.88 117.00 120.36 2b3a n LEU 51 Ca 0.04 -5.53 0.20 0.00 -0.03 0.00 0.00 56.01 50.69 2b3a n LEU 51 Cb 0.25 -0.36 1.05 0.00 -2.33 0.00 0.00 43.42 42.03 2b3a n LEU 51 CO 0.20 2.30 1.13 -0.33 -1.33 0.00 0.00 177.39 179.35 2b3a h GLU 52 N 3.19 0.00 -0.64 3.23 4.39 -1.95 -3.15 114.58 119.64 2b3a h GLU 52 Ca 0.13 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.76 2b3a h GLU 52 Cb 0.60 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 2b3a h GLU 52 CO 0.77 0.01 0.10 1.05 -1.16 0.00 0.00 179.01 179.77 2b3a h GLU 53 N 0.00 1.06 -4.76 2.33 4.11 -2.02 -3.46 114.58 111.85 2b3a h GLU 53 Ca -0.00 -0.28 -0.32 0.00 0.07 0.00 0.00 59.36 58.82 2b3a h GLU 53 Cb 0.13 -0.13 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 2b3a h GLU 53 CO 0.00 0.98 -0.59 -1.21 0.07 0.00 0.00 179.01 178.26 2b3a s GLU 54 N -5.18 1.39 0.39 1.06 2.02 -1.19 -5.18 118.70 112.00 2b3a s GLU 54 Ca -0.11 -1.76 0.07 0.00 0.02 0.00 0.00 54.97 53.19 2b3a s GLU 54 Cb 0.14 0.06 -0.08 0.00 0.10 0.00 0.00 34.13 34.36 2b3a s GLU 54 CO 0.84 -0.40 -0.01 -1.21 0.02 0.00 0.00 175.26 174.50 2b3a s GLU 55 N -3.99 1.90 0.17 1.61 8.01 -1.26 -4.95 118.70 120.18 2b3a s GLU 55 Ca 0.38 -2.05 0.07 0.00 0.01 0.00 0.00 54.97 53.38 2b3a s GLU 55 Cb 0.06 -1.59 0.41 0.00 -4.31 0.00 0.00 34.13 28.70 2b3a s GLU 55 CO 0.15 -0.01 1.10 -2.30 0.01 0.00 0.00 175.26 174.21 2b3a n PRO 56 N -0.90 0.05 0.14 0.39 -0.02 -1.26 -0.48 135.00 132.92 2b3a n PRO 56 Ca -0.05 0.46 0.05 0.00 -2.02 0.00 0.00 63.50 61.94 2b3a n PRO 56 Cb 0.66 -1.88 0.49 0.00 -0.02 0.00 0.00 33.50 32.76 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 0.21 0.05 -0.52 5.08 -2.01 -3.15 114.58 114.24 2b3a h GLU 57 Ca 0.00 -0.03 -0.37 0.00 -1.00 0.00 0.00 59.36 57.96 2b3a h GLU 57 Cb 0.42 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 2b3a h GLU 57 CO 0.00 0.23 -2.24 -0.25 -1.00 0.00 0.00 179.01 175.75 2b3a n ASP 58 N -4.42 1.78 -5.00 1.42 9.92 0.36 -4.48 116.55 116.14 2b3a n ASP 58 Ca -0.01 0.04 -0.18 0.00 -0.53 0.00 0.00 54.79 54.11 2b3a n ASP 58 Cb 0.15 -0.43 0.02 0.00 -0.64 0.00 0.00 41.12 40.23 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 -2.54 2.80 0.01 1.24 2.02 -1.06 -0.06 117.35 119.76 2b3a s TYR 59 Ca -0.26 -0.32 -0.17 0.00 -0.37 0.00 0.00 57.07 55.95 2b3a s TYR 59 Cb 0.08 -2.46 0.03 0.00 -0.40 0.00 0.00 41.96 39.20 2b3a s TYR 59 CO 0.70 -0.53 0.36 -1.83 -1.57 0.00 0.00 175.55 172.68 2b3a s GLU 60 N -4.45 0.79 -0.11 -0.62 -1.05 0.01 -4.62 118.70 108.66 2b3a s GLU 60 Ca 0.56 -0.27 -0.04 0.00 -0.15 0.00 0.00 54.97 55.07 2b3a s GLU 60 Cb -0.10 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 2b3a s GLU 60 CO 0.34 -0.24 0.05 -1.17 0.95 0.00 0.00 175.26 175.19 2b3a s LEU 61 N -1.64 3.87 -0.03 1.83 0.20 -1.25 -0.08 118.68 121.58 2b3a s LEU 61 Ca -0.09 0.25 0.06 0.00 0.69 0.00 0.00 54.13 55.03 2b3a s LEU 61 Cb -0.03 -1.92 -0.01 0.00 -0.43 0.00 0.00 46.19 43.80 2b3a s LEU 61 CO 0.01 0.37 -0.22 -0.22 -0.29 0.00 0.00 176.35 176.00 2b3a s LEU 62 N -0.80 2.02 -0.07 -0.68 0.20 0.15 0.35 118.68 119.85 2b3a s LEU 62 Ca 0.13 -0.42 -0.12 0.00 0.69 0.00 0.00 54.13 54.41 2b3a s LEU 62 Cb -0.12 -1.16 -0.05 0.00 -0.43 0.00 0.00 46.19 44.43 2b3a s LEU 62 CO 0.03 0.25 0.30 -1.10 -0.29 0.00 0.00 176.35 175.53 2b3a s GLN 63 N -0.35 3.83 -0.09 1.98 -0.21 0.23 -0.82 119.66 124.24 2b3a s GLN 63 Ca 0.04 0.18 0.03 0.00 0.02 0.00 0.00 55.36 55.63 2b3a s GLN 63 Cb -0.10 -3.25 0.01 0.00 1.00 0.00 0.00 33.01 30.66 2b3a s GLN 63 CO 0.01 0.63 -0.20 0.42 -2.12 0.00 0.00 175.29 174.03 2b3a s ILE 64 N -0.76 1.73 -0.02 1.08 1.09 0.69 0.28 121.20 125.28 2b3a s ILE 64 Ca 0.20 -0.82 0.02 0.00 -1.10 0.00 0.00 60.65 58.95 2b3a s ILE 64 Cb -0.14 -1.52 -0.03 0.00 -1.06 0.00 0.00 42.46 39.71 2b3a s ILE 64 CO 0.09 0.49 -0.06 -0.76 -0.10 0.00 0.00 174.94 174.59 2b3a s LEU 65 N 0.51 3.19 0.00 2.97 1.02 -1.01 -2.65 118.68 122.71 2b3a s LEU 65 Ca -0.16 -0.10 0.00 0.00 0.02 0.00 0.00 54.13 53.89 2b3a s LEU 65 Cb -0.17 -1.78 0.00 0.00 0.02 0.00 0.00 46.19 44.26 2b3a s LEU 65 CO 0.06 0.31 0.00 -1.20 0.02 0.00 0.00 176.35 175.54 2b3a n SER 66 N 1.77 0.00 -2.70 2.29 7.64 -1.26 -2.97 113.62 118.38 2b3a n SER 66 Ca -0.16 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.67 2b3a n SER 66 Cb 0.53 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.78 2b3a n SER 66 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2b3a n ASP 67 N 1.25 -2.05 0.00 6.43 2.03 -1.26 -4.92 116.55 118.02 2b3a n ASP 67 Ca 0.00 -2.11 0.00 0.00 0.52 0.00 0.00 54.79 53.20 2b3a n ASP 67 Cb 0.00 1.15 0.00 0.00 -0.72 0.00 0.00 41.12 41.55 2b3a n ASP 67 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2b3a n ASP 68 N 2.04 0.00 -4.76 1.67 2.03 -1.16 -5.12 116.55 111.25 2b3a n ASP 68 Ca 0.08 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.00 2b3a n ASP 68 Cb 0.65 0.10 -0.05 0.00 -0.72 0.00 0.00 41.12 41.10 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 -0.41 4.69 0.02 -0.67 0.52 -1.26 -4.98 118.95 116.86 2b3a s ARG 69 Ca 0.00 1.64 0.02 0.00 -0.52 0.00 0.00 55.73 56.86 2b3a s ARG 69 Cb 0.00 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 2b3a s ARG 69 CO 0.00 0.31 -0.06 0.15 0.02 0.00 0.00 175.30 175.72 2b3a s LYS 70 N -1.45 0.42 -0.14 3.54 1.02 -1.26 -2.42 119.74 119.44 2b3a s LYS 70 Ca 0.44 -0.49 -0.01 0.00 0.02 0.00 0.00 55.97 55.93 2b3a s LYS 70 Cb -0.28 -0.24 0.04 0.00 -0.52 0.00 0.00 37.83 36.83 2b3a s LYS 70 CO 0.36 0.05 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.31 2b3a s LEU 71 N -0.97 1.15 0.18 3.17 1.43 0.14 -4.98 118.68 118.81 2b3a s LEU 71 Ca -0.06 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 2b3a s LEU 71 Cb -0.07 -0.68 -0.08 0.00 0.03 0.00 0.00 46.19 45.40 2b3a s LEU 71 CO -0.00 -0.22 1.13 -0.54 0.23 0.00 0.00 176.35 176.95 2b3a s LYS 72 N 1.80 4.56 -0.29 1.70 3.01 -1.26 0.76 119.74 130.02 2b3a s LYS 72 Ca 0.02 1.77 -0.10 0.00 -1.01 0.00 0.00 55.97 56.65 2b3a s LYS 72 Cb -0.15 -3.26 -0.03 0.00 -1.01 0.00 0.00 37.83 33.38 2b3a s LYS 72 CO -0.07 0.03 0.16 0.42 0.51 0.00 0.00 175.35 176.40 2b3a s ILE 73 N -0.21 4.87 0.14 2.17 -1.09 0.15 -4.87 121.20 122.36 2b3a s ILE 73 Ca 0.50 -0.16 0.01 0.00 -2.23 0.00 0.00 60.65 58.77 2b3a s ILE 73 Cb -0.30 -3.39 0.03 0.00 -1.58 0.00 0.00 42.46 37.21 2b3a s ILE 73 CO 0.36 0.16 0.19 -0.81 -1.23 0.00 0.00 174.94 173.62 2b3a n PRO 74 N 5.01 0.61 0.09 2.79 -0.04 -1.26 -3.77 135.00 138.44 2b3a n PRO 74 Ca -0.14 -0.59 -0.01 0.00 -0.04 0.00 0.00 63.50 62.72 2b3a n PRO 74 Cb 0.51 -0.11 -0.04 0.00 -0.04 0.00 0.00 33.50 33.81 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 0.00 0.00 0.54 5.08 -1.98 -3.30 114.58 114.91 2b3a h GLU 75 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2b3a h GLU 75 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2b3a h GLU 75 CO 0.08 0.55 0.00 -0.97 -1.00 0.00 0.00 179.01 177.66 2b3a h ASN 76 N 0.00 0.00 -3.07 1.42 -0.00 -2.00 -3.40 115.58 108.54 2b3a h ASN 76 Ca -0.06 0.00 -0.60 0.00 -0.00 0.00 0.00 56.30 55.64 2b3a h ASN 76 Cb 1.55 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.83 2b3a h ASN 76 CO 0.07 0.00 -0.33 0.00 -0.00 0.00 0.00 177.43 177.18 2b3a s ALA 77 N -3.26 3.80 0.14 1.57 0.00 -1.24 -5.06 121.76 117.71 2b3a s ALA 77 Ca 0.07 -0.54 -0.20 0.00 0.00 0.00 0.00 51.96 51.29 2b3a s ALA 77 Cb 0.09 -2.13 -0.07 0.00 0.00 0.00 0.00 23.12 21.00 2b3a s ALA 77 CO 0.59 0.65 0.64 -0.80 0.00 0.00 0.00 175.76 176.84 2b3a s ASN 78 N -2.09 7.09 0.14 0.00 0.02 -1.26 -3.78 114.94 115.06 2b3a s ASN 78 Ca 0.35 1.35 -0.16 0.00 -1.02 0.00 0.00 52.86 53.37 2b3a s ASN 78 Cb -0.13 -2.39 -0.00 0.00 0.02 0.00 0.00 41.25 38.75 2b3a s ASN 78 CO 0.21 0.18 1.74 0.58 0.02 0.00 0.00 177.10 179.83 2b3a h VAL 79 N 3.19 1.15 0.00 1.60 2.07 -1.92 -0.07 116.25 122.28 2b3a h VAL 79 Ca -0.49 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2b3a h VAL 79 Cb 1.20 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2b3a h VAL 79 CO 0.65 0.16 0.00 -0.26 0.02 0.00 0.00 177.57 178.13 2b3a h PHE 80 N 0.49 0.00 0.00 1.57 0.04 -1.92 0.83 116.94 117.95 2b3a h PHE 80 Ca 0.13 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.56 2b3a h PHE 80 Cb 0.07 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.15 2b3a h PHE 80 CO -0.02 0.00 -2.32 0.98 -0.60 0.00 0.00 178.31 176.35 2b3a n TYR 81 N -2.69 0.00 0.61 -0.55 9.36 -0.80 -4.58 117.16 118.52 2b3a n TYR 81 Ca -0.02 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.32 2b3a n TYR 81 Cb 0.06 -0.89 0.17 0.00 -0.63 0.00 0.00 39.34 38.04 2b3a n TYR 81 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2b3a n ALA 82 N -3.16 3.01 -1.42 2.98 0.00 -0.10 -4.91 120.51 116.90 2b3a n ALA 82 Ca -0.41 -0.27 -0.31 0.00 0.00 0.00 0.00 53.44 52.45 2b3a n ALA 82 Cb 0.94 -1.15 0.07 0.00 0.00 0.00 0.00 19.45 19.31 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 -3.15 2.63 -0.14 0.00 0.23 0.25 -5.04 119.30 114.07 2b3a s MET 83 Ca 0.06 1.11 -0.09 0.00 -1.03 0.00 0.00 55.69 55.74 2b3a s MET 83 Cb 0.14 -1.94 -0.04 0.00 -1.53 0.00 0.00 34.83 31.45 2b3a s MET 83 CO 0.72 -1.35 0.16 0.54 -2.03 0.00 0.00 175.02 173.06 2b3a s ASN 84 N -3.44 6.35 -0.18 -1.18 2.20 -1.26 -5.02 114.94 112.41 2b3a s ASN 84 Ca 0.61 0.41 0.16 0.00 -0.94 0.00 0.00 52.86 53.10 2b3a s ASN 84 Cb -0.16 -2.09 0.74 0.00 -2.00 0.00 0.00 41.25 37.74 2b3a s ASN 84 CO 0.53 0.31 1.66 -1.20 -2.94 0.00 0.00 177.10 175.46 2b3a n SER 85 N 2.61 5.15 -2.68 3.54 7.64 -1.26 -4.61 113.62 124.00 2b3a n SER 85 Ca -0.18 -2.77 -0.06 0.00 1.01 0.00 0.00 58.87 56.88 2b3a n SER 85 Cb 0.54 -0.62 0.07 0.00 -1.01 0.00 0.00 64.21 63.18 2b3a n SER 85 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2b3a n THR 86 N 0.65 0.00 -3.80 0.44 5.66 -1.26 -5.15 114.28 110.82 2b3a n THR 86 Ca 0.26 -1.16 -0.05 0.00 -3.05 0.00 0.00 64.05 60.06 2b3a n THR 86 Cb 1.05 0.87 -0.01 0.00 -1.55 0.00 0.00 70.33 70.69 2b3a n THR 86 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2b3a s ALA 87 N 0.14 -1.48 -0.14 1.79 0.00 -1.26 -5.10 121.76 115.71 2b3a s ALA 87 Ca 0.15 -0.11 -0.38 0.00 0.00 0.00 0.00 51.96 51.62 2b3a s ALA 87 Cb 0.27 0.70 -0.16 0.00 0.00 0.00 0.00 23.12 23.93 2b3a s ALA 87 CO -0.06 -1.04 1.63 -1.71 0.00 0.00 0.00 175.76 174.57 2b3a n ASN 88 N -0.65 2.27 -4.11 0.00 5.15 -1.26 -4.90 115.26 111.76 2b3a n ASN 88 Ca -0.05 1.08 -0.41 0.00 -0.60 0.00 0.00 54.58 54.60 2b3a n ASN 88 Cb 0.60 -1.18 -0.02 0.00 -0.53 0.00 0.00 39.78 38.65 2b3a n ASN 88 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2b3a n TYR 89 N 4.54 3.93 -4.81 1.20 0.18 -1.26 -4.10 117.16 116.84 2b3a n TYR 89 Ca 0.23 -3.54 -0.31 0.00 1.88 0.00 0.00 57.90 56.17 2b3a n TYR 89 Cb 0.17 -1.35 -0.14 0.00 -0.38 0.00 0.00 39.34 37.64 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 -0.33 3.54 -0.01 9.48 -1.08 -1.08 -2.21 116.67 124.97 2b3a s ASP 90 Ca 0.31 -0.47 0.04 0.00 -0.52 0.00 0.00 52.55 51.91 2b3a s ASP 90 Cb -0.02 -0.49 -0.01 0.00 -1.46 0.00 0.00 42.92 40.93 2b3a s ASP 90 CO -0.02 0.27 -0.12 -0.36 0.52 0.00 0.00 175.17 175.45 2b3a s PHE 91 N -0.84 1.12 0.08 -5.34 0.40 -0.17 -0.22 117.98 113.00 2b3a s PHE 91 Ca 0.13 -0.22 0.10 0.00 -0.60 0.00 0.00 56.93 56.33 2b3a s PHE 91 Cb -0.10 -0.73 -0.03 0.00 0.51 0.00 0.00 43.02 42.67 2b3a s PHE 91 CO 0.03 -0.03 -0.26 0.08 0.70 0.00 0.00 175.22 175.74 2b3a s VAL 92 N -0.22 2.13 -0.18 -0.44 1.01 0.00 0.25 120.40 122.95 2b3a s VAL 92 Ca 0.03 -1.53 -0.08 0.00 0.00 0.00 0.00 61.98 60.41 2b3a s VAL 92 Cb -0.05 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2b3a s VAL 92 CO -0.00 0.22 0.07 -0.22 0.00 0.00 0.00 175.10 175.17 2b3a s LEU 93 N -1.60 3.89 0.05 3.92 0.20 -0.99 0.31 118.68 124.46 2b3a s LEU 93 Ca 0.12 0.11 0.07 0.00 0.69 0.00 0.00 54.13 55.13 2b3a s LEU 93 Cb -0.10 -1.98 -0.03 0.00 -0.43 0.00 0.00 46.19 43.64 2b3a s LEU 93 CO 0.04 0.18 -0.17 -0.54 -0.29 0.00 0.00 176.35 175.57 2b3a s LYS 94 N 0.32 2.05 -0.36 1.98 1.02 0.89 -2.33 119.74 123.31 2b3a s LYS 94 Ca 0.04 -1.00 -0.12 0.00 0.02 0.00 0.00 55.97 54.91 2b3a s LYS 94 Cb -0.12 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 2b3a s LYS 94 CO -0.00 0.53 0.23 0.21 -0.92 0.00 0.00 175.35 175.40 2b3a s LYS 95 N -1.58 3.18 -0.24 1.68 2.20 -1.26 -0.81 119.74 122.91 2b3a s LYS 95 Ca 0.16 -0.85 -0.17 0.00 -0.36 0.00 0.00 55.97 54.75 2b3a s LYS 95 Cb -0.11 -3.79 -0.14 0.00 -1.51 0.00 0.00 37.83 32.29 2b3a s LYS 95 CO 0.06 -0.57 -0.15 0.54 -0.36 0.00 0.00 175.35 174.87 2b3a n ARG 96 N 5.07 0.57 -0.67 4.03 1.74 0.91 -4.98 116.66 123.33 2b3a n ARG 96 Ca -0.12 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 2b3a n ARG 96 Cb 0.48 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 2b3a n ARG 96 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52