#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 -0.82 4.00 0.24 0.00 -1.09 -1.26 -0.92 121.20 121.35 2b3a s ILE 14 Ca 0.02 -0.29 0.06 0.00 -2.23 0.00 0.00 60.65 58.21 2b3a s ILE 14 Cb -0.08 -2.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.92 2b3a s ILE 14 CO 0.01 0.40 -0.06 0.27 -1.23 0.00 0.00 174.94 174.33 2b3a s ILE 15 N 1.23 1.46 0.16 2.92 -4.36 -0.81 -4.95 121.20 116.85 2b3a s ILE 15 Ca 0.04 -2.11 0.08 0.00 -0.26 0.00 0.00 60.65 58.40 2b3a s ILE 15 Cb -0.15 -2.30 -0.04 0.00 1.25 0.00 0.00 42.46 41.23 2b3a s ILE 15 CO 0.02 -0.40 -0.08 -0.60 0.24 0.00 0.00 174.94 174.12 2b3a s ARG 16 N -3.75 2.14 0.00 0.37 3.52 -0.59 -1.99 118.95 118.65 2b3a s ARG 16 Ca 0.27 -1.18 0.03 0.00 -0.13 0.00 0.00 55.73 54.72 2b3a s ARG 16 Cb 0.03 -2.23 -0.01 0.00 -1.56 0.00 0.00 34.95 31.18 2b3a s ARG 16 CO 0.09 0.46 -0.09 0.08 -0.81 0.00 0.00 175.30 175.02 2b3a s VAL 17 N -1.59 0.74 0.11 7.11 1.01 0.73 -1.29 120.40 127.21 2b3a s VAL 17 Ca 0.24 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 2b3a s VAL 17 Cb -0.09 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 2b3a s VAL 17 CO 0.15 0.14 0.15 -0.55 0.00 0.00 0.00 175.10 175.00 2b3a s SER 18 N -0.39 0.20 0.19 3.32 0.15 -0.06 -2.46 113.70 114.65 2b3a s SER 18 Ca 0.02 -0.88 0.04 0.00 0.70 0.00 0.00 55.95 55.84 2b3a s SER 18 Cb -0.04 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 2b3a s SER 18 CO -0.00 -0.75 0.26 -0.76 1.20 0.00 0.00 173.24 173.19 2b3a s LEU 19 N -2.94 4.13 -0.09 3.45 1.43 -1.26 -1.62 118.68 121.78 2b3a s LEU 19 Ca 0.12 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 2b3a s LEU 19 Cb 0.05 -2.69 -0.00 0.00 0.03 0.00 0.00 46.19 43.58 2b3a s LEU 19 CO -0.05 0.01 -0.02 -0.78 0.23 0.00 0.00 176.35 175.74 2b3a h ASP 20 N 1.83 0.00 -0.98 2.29 3.58 -1.73 -3.19 116.42 118.22 2b3a h ASP 20 Ca -0.49 0.00 0.29 0.00 0.42 0.00 0.00 57.03 57.24 2b3a h ASP 20 Cb 1.21 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.08 2b3a h ASP 20 CO 0.64 0.46 0.11 1.62 -2.88 0.00 0.00 179.24 179.19 2b3a h VAL 21 N -0.87 0.04 -2.86 2.25 3.04 -1.97 -3.01 116.25 112.87 2b3a h VAL 21 Ca 0.00 -0.01 -0.58 0.00 -1.01 0.00 0.00 66.70 65.10 2b3a h VAL 21 Cb 0.05 0.02 -0.40 0.00 -2.01 0.00 0.00 31.29 28.95 2b3a h VAL 21 CO 0.00 0.00 -0.79 -0.62 -1.01 0.00 0.00 177.57 175.16 2b3a s ASP 22 N -4.96 3.50 0.26 3.17 2.15 -1.26 -5.11 116.67 114.42 2b3a s ASP 22 Ca -0.12 -1.96 -0.25 0.00 0.43 0.00 0.00 52.55 50.65 2b3a s ASP 22 Cb 0.29 -0.64 -0.09 0.00 -0.30 0.00 0.00 42.92 42.18 2b3a s ASP 22 CO 0.78 -0.35 0.86 0.21 -0.17 0.00 0.00 175.17 176.50 2b3a s ASN 23 N 1.26 7.32 -0.28 -0.34 3.84 -1.14 -4.31 114.94 121.29 2b3a s ASN 23 Ca 0.14 1.72 -0.18 0.00 0.21 0.00 0.00 52.86 54.75 2b3a s ASN 23 Cb -0.20 -2.53 0.12 0.00 -0.55 0.00 0.00 41.25 38.08 2b3a s ASN 23 CO -0.13 0.03 0.89 -0.83 -2.79 0.00 0.00 177.10 174.27 2b3a s GLY 24 N -1.49 -0.23 0.20 1.21 0.00 -1.26 -5.02 107.32 100.74 2b3a s GLY 24 Ca 0.45 2.82 -0.31 0.00 0.00 0.00 0.00 44.72 47.68 2b3a s GLY 24 CO 0.25 2.40 1.55 0.21 0.00 0.00 0.00 173.10 177.50 2b3a s ASN 25 N 1.22 6.57 -0.06 1.64 3.84 -1.26 -4.43 114.94 122.47 2b3a s ASN 25 Ca -0.07 2.67 -0.02 0.00 0.21 0.00 0.00 52.86 55.65 2b3a s ASN 25 Cb -0.04 -2.60 0.01 0.00 -0.55 0.00 0.00 41.25 38.06 2b3a s ASN 25 CO -0.14 -0.81 0.04 0.23 -2.79 0.00 0.00 177.10 173.62 2b3a n MET 26 N 3.42 -1.05 0.00 0.43 2.81 -1.26 -5.09 117.12 116.38 2b3a n MET 26 Ca 0.12 1.18 0.00 0.00 -1.81 0.00 0.00 57.70 57.19 2b3a n MET 26 Cb 0.39 -2.06 0.00 0.00 -0.71 0.00 0.00 33.22 30.83 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 0.32 0.00 -3.79 2.03 4.02 -1.17 -5.05 117.16 113.52 2b3a n TYR 27 Ca -0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.73 2b3a n TYR 27 Cb 0.10 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.36 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 -0.26 0.94 0.01 -0.72 -2.85 -1.03 -5.01 119.74 110.82 2b3a s LYS 28 Ca 0.00 -0.88 0.05 0.00 -1.00 0.00 0.00 55.97 54.14 2b3a s LYS 28 Cb 0.00 0.39 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 2b3a s LYS 28 CO 0.00 -0.33 -0.14 -1.12 0.10 0.00 0.00 175.35 173.86 2b3a s SER 29 N -2.85 4.04 -0.02 0.03 0.01 -1.26 -0.19 113.70 113.46 2b3a s SER 29 Ca 0.05 -0.30 0.06 0.00 1.31 0.00 0.00 55.95 57.07 2b3a s SER 29 Cb 0.04 -0.78 -0.01 0.00 0.21 0.00 0.00 66.02 65.48 2b3a s SER 29 CO -0.11 0.29 -0.20 -0.63 0.41 0.00 0.00 173.24 172.99 2b3a s ILE 30 N -0.89 1.63 -0.24 1.44 -1.09 -0.84 -4.98 121.20 116.23 2b3a s ILE 30 Ca 0.14 -0.87 -0.16 0.00 -2.23 0.00 0.00 60.65 57.53 2b3a s ILE 30 Cb -0.11 -1.36 -0.04 0.00 -1.58 0.00 0.00 42.46 39.38 2b3a s ILE 30 CO 0.04 0.46 0.41 -0.22 -1.23 0.00 0.00 174.94 174.41 2b3a s LEU 31 N -0.38 4.09 -0.14 2.97 0.20 -1.26 -1.93 118.68 122.24 2b3a s LEU 31 Ca 0.05 0.43 -0.02 0.00 0.69 0.00 0.00 54.13 55.29 2b3a s LEU 31 Cb -0.09 -2.51 -0.02 0.00 -0.43 0.00 0.00 46.19 43.14 2b3a s LEU 31 CO 0.00 -0.16 -0.08 0.54 -0.29 0.00 0.00 176.35 176.36 2b3a s VAL 32 N 1.81 3.50 0.51 1.68 0.11 -0.09 -4.94 120.40 122.98 2b3a s VAL 32 Ca 0.18 -0.51 0.02 0.00 -2.93 0.00 0.00 61.98 58.75 2b3a s VAL 32 Cb -0.15 -2.50 0.02 0.00 -1.53 0.00 0.00 36.38 32.22 2b3a s VAL 32 CO 0.09 0.52 0.72 0.42 -3.33 0.00 0.00 175.10 173.51 2b3a s THR 33 N 0.26 2.96 0.20 5.04 -4.23 -1.26 -0.51 115.64 118.10 2b3a s THR 33 Ca -0.06 -0.70 0.28 0.00 -1.18 0.00 0.00 61.69 60.03 2b3a s THR 33 Cb -0.15 -3.09 0.29 0.00 1.34 0.00 0.00 72.50 70.89 2b3a s THR 33 CO 0.04 -0.06 1.93 0.77 -0.54 0.00 0.00 174.62 176.77 2b3a h SER 34 N 0.23 0.00 0.37 3.99 4.64 -1.97 -2.96 113.55 117.86 2b3a h SER 34 Ca -0.42 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.67 2b3a h SER 34 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2b3a h SER 34 CO 0.52 0.15 -0.95 -0.61 -0.87 0.00 0.00 176.83 175.06 2b3a h GLN 35 N 0.00 0.38 -6.12 4.77 -0.00 -1.95 -3.44 115.11 108.76 2b3a h GLN 35 Ca -0.00 -0.42 -0.58 0.00 -0.00 0.00 0.00 58.65 57.65 2b3a h GLN 35 Cb 0.58 0.12 -0.06 0.00 0.00 0.00 0.00 27.48 28.13 2b3a h GLN 35 CO 0.02 1.10 0.74 0.34 0.00 0.00 0.00 178.83 181.03 2b3a s ASP 36 N -7.07 7.13 0.60 -0.69 2.15 -1.12 -5.00 116.67 112.67 2b3a s ASP 36 Ca -0.05 1.41 -0.08 0.00 0.43 0.00 0.00 52.55 54.25 2b3a s ASP 36 Cb 0.09 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 40.15 2b3a s ASP 36 CO 0.86 -0.62 0.96 -0.54 -0.17 0.00 0.00 175.17 175.66 2b3a s LYS 37 N 2.92 3.23 0.13 4.34 -0.14 -1.26 -4.76 119.74 124.20 2b3a s LYS 37 Ca 0.45 0.36 -0.18 0.00 -1.36 0.00 0.00 55.97 55.23 2b3a s LYS 37 Cb -0.16 -2.18 -0.02 0.00 -1.68 0.00 0.00 37.83 33.79 2b3a s LYS 37 CO 0.09 -0.63 1.77 0.00 -0.76 0.00 0.00 175.35 175.81 2b3a h ALA 38 N -0.24 0.31 -0.35 5.17 0.00 -1.87 0.76 119.26 123.04 2b3a h ALA 38 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2b3a h ALA 38 Cb 1.23 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2b3a h ALA 38 CO 0.62 -0.27 0.23 -1.00 0.00 0.00 0.00 179.25 178.83 2b3a h PRO 39 N 0.27 0.46 -0.17 0.00 0.13 -1.76 0.58 132.00 131.50 2b3a h PRO 39 Ca 0.10 -0.03 -0.20 0.00 -0.87 0.00 0.00 66.00 65.01 2b3a h PRO 39 Cb 0.03 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.06 2b3a h PRO 39 CO -0.07 0.30 -0.69 0.00 -0.23 0.00 0.00 178.00 177.31 2b3a h ALA 40 N 1.78 0.45 -0.42 -0.56 0.00 -1.78 -2.03 119.26 116.71 2b3a h ALA 40 Ca 0.13 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 2b3a h ALA 40 Cb -0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2b3a h ALA 40 CO -0.03 0.70 -0.03 0.28 0.00 0.00 0.00 179.25 180.17 2b3a h VAL 41 N 0.50 1.23 -0.13 0.00 2.07 0.64 0.51 116.25 121.08 2b3a h VAL 41 Ca -0.03 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.55 2b3a h VAL 41 Cb 1.30 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 2b3a h VAL 41 CO 0.14 0.34 -0.16 0.40 0.02 0.00 0.00 177.57 178.31 2b3a h ILE 42 N 0.64 0.58 -0.03 4.57 2.04 0.26 0.79 117.51 126.36 2b3a h ILE 42 Ca 0.13 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 2b3a h ILE 42 Cb 0.45 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2b3a h ILE 42 CO 0.02 0.00 0.01 0.03 0.00 0.00 0.00 178.15 178.21 2b3a h ARG 43 N -0.20 0.05 -0.77 2.37 3.08 -0.63 -2.77 114.38 115.51 2b3a h ARG 43 Ca 0.09 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.19 2b3a h ARG 43 Cb 0.34 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 2b3a h ARG 43 CO -0.25 0.21 0.47 0.87 -1.07 0.00 0.00 179.97 180.21 2b3a h LYS 44 N -0.12 0.85 -0.11 0.04 1.79 0.67 0.71 116.57 120.39 2b3a h LYS 44 Ca 0.01 -0.05 -0.23 0.00 -2.18 0.00 0.00 60.65 58.20 2b3a h LYS 44 Cb 0.18 -0.19 0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2b3a h LYS 44 CO -0.00 0.56 -0.85 0.00 -1.08 0.00 0.00 179.45 178.08 2b3a h ALA 45 N 1.36 0.27 -0.23 3.86 0.00 -0.92 0.12 119.26 123.73 2b3a h ALA 45 Ca 0.33 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 2b3a h ALA 45 Cb 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2b3a h ALA 45 CO -0.16 0.69 -0.54 0.00 0.00 0.00 0.00 179.25 179.24 2b3a h MET 46 N 0.49 0.68 -0.12 0.00 -0.00 -1.10 -2.99 114.93 111.89 2b3a h MET 46 Ca -0.07 -0.43 -0.03 0.00 -0.00 0.00 0.00 59.70 59.17 2b3a h MET 46 Cb 1.49 0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 33.13 2b3a h MET 46 CO 0.17 1.05 -0.05 -0.44 -0.00 0.00 0.00 176.91 177.64 2b3a h ASP 47 N 0.53 0.16 0.87 -0.10 3.32 0.54 -1.75 116.42 119.99 2b3a h ASP 47 Ca 0.01 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2b3a h ASP 47 Cb 1.11 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 2b3a h ASP 47 CO 0.11 0.24 -0.17 0.50 -1.72 0.00 0.00 179.24 178.20 2b3a h LYS 48 N 0.18 0.00 -0.09 3.56 1.63 -0.61 0.62 116.57 121.86 2b3a h LYS 48 Ca 0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 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 0.01 0.17 0.00 0.72 -3.45 0.00 0.00 179.45 176.90 2b3a n HIS 49 N -3.36 0.09 -2.58 1.91 8.25 -0.72 -4.98 115.22 113.84 2b3a n HIS 49 Ca -0.00 -0.05 -0.01 0.00 -0.26 0.00 0.00 57.72 57.41 2b3a n HIS 49 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 0.85 -5.94 -2.40 0.41 2.85 0.21 -4.99 115.26 106.23 2b3a n ASN 50 Ca 0.17 -0.07 -0.21 0.00 -0.11 0.00 0.00 54.58 54.36 2b3a n ASN 50 Cb 0.49 -3.95 0.02 0.00 1.24 0.00 0.00 39.78 37.57 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 -1.59 3.96 0.30 1.20 4.77 -0.85 -4.83 117.00 119.96 2b3a n LEU 51 Ca -0.00 -4.62 0.19 0.00 -0.03 0.00 0.00 56.01 51.55 2b3a n LEU 51 Cb 0.50 -0.19 0.93 0.00 -2.33 0.00 0.00 43.42 42.33 2b3a n LEU 51 CO 0.37 1.97 1.08 -0.33 -1.33 0.00 0.00 177.39 179.14 2b3a h GLU 52 N 2.52 0.00 -0.04 3.23 5.08 -1.88 -2.92 114.58 120.57 2b3a h GLU 52 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2b3a h GLU 52 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2b3a h GLU 52 CO 0.70 0.02 0.00 -0.85 -1.00 0.00 0.00 179.01 177.88 2b3a n GLU 53 N -3.17 1.14 -3.86 2.33 0.00 -1.26 -4.81 120.64 111.00 2b3a n GLU 53 Ca -0.01 -0.21 -0.12 0.00 0.00 0.00 0.00 57.16 56.82 2b3a n GLU 53 Cb 0.19 -1.26 -0.12 0.00 0.00 0.00 0.00 31.44 30.25 2b3a n GLU 53 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2b3a s GLU 54 N -1.95 0.18 0.18 3.44 -1.05 -1.10 -5.16 118.70 113.24 2b3a s GLU 54 Ca 0.24 -0.01 0.04 0.00 -0.15 0.00 0.00 54.97 55.09 2b3a s GLU 54 Cb 0.11 0.08 -0.03 0.00 -0.44 0.00 0.00 34.13 33.85 2b3a s GLU 54 CO 0.19 -0.03 0.26 -1.21 0.95 0.00 0.00 175.26 175.41 2b3a s GLU 55 N -0.29 3.27 0.31 -4.83 8.01 -1.26 -4.98 118.70 118.93 2b3a s GLU 55 Ca -0.04 -0.74 0.21 0.00 0.01 0.00 0.00 54.97 54.42 2b3a s GLU 55 Cb -0.03 -2.84 1.13 0.00 -4.31 0.00 0.00 34.13 28.08 2b3a s GLU 55 CO 0.00 0.48 1.66 -2.30 0.01 0.00 0.00 175.26 175.11 2b3a n PRO 56 N -0.75 0.14 0.15 0.39 -0.02 -1.26 -1.06 135.00 132.60 2b3a n PRO 56 Ca -0.08 0.61 0.13 0.00 -2.02 0.00 0.00 63.50 62.14 2b3a n PRO 56 Cb 0.55 -1.94 0.40 0.00 -0.02 0.00 0.00 33.50 32.49 2b3a n PRO 56 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2b3a h GLU 57 N 0.00 0.00 0.11 -0.52 4.11 -2.00 -3.27 114.58 113.02 2b3a h GLU 57 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.09 2b3a h GLU 57 Cb 0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2b3a h GLU 57 CO 0.00 0.00 -1.83 0.22 0.07 0.00 0.00 179.01 177.47 2b3a h ASP 58 N 0.00 0.37 -1.69 3.06 3.58 -1.41 -3.45 116.42 116.89 2b3a h ASP 58 Ca 0.00 -0.71 -0.55 0.00 0.42 0.00 0.00 57.03 56.18 2b3a h ASP 58 Cb 0.70 -0.12 -0.08 0.00 1.72 0.00 0.00 39.33 41.56 2b3a h ASP 58 CO 0.00 1.63 -0.50 -0.31 -2.88 0.00 0.00 179.24 177.17 2b3a s TYR 59 N -2.58 2.64 0.04 0.28 1.51 -1.21 0.27 117.35 118.31 2b3a s TYR 59 Ca -0.16 -0.51 0.03 0.00 -1.01 0.00 0.00 57.07 55.42 2b3a s TYR 59 Cb 0.07 -1.86 -0.02 0.00 -0.11 0.00 0.00 41.96 40.03 2b3a s TYR 59 CO 0.81 0.22 -0.10 -1.21 -1.11 0.00 0.00 175.55 174.15 2b3a s GLU 60 N -3.90 0.65 -0.29 -0.62 0.41 0.55 -4.78 118.70 110.72 2b3a s GLU 60 Ca 0.40 -0.72 -0.09 0.00 -0.41 0.00 0.00 54.97 54.15 2b3a s GLU 60 Cb 0.01 -0.53 -0.02 0.00 -1.78 0.00 0.00 34.13 31.81 2b3a s GLU 60 CO 0.23 0.12 0.13 -0.48 -0.49 0.00 0.00 175.26 174.77 2b3a s LEU 61 N -1.34 3.89 -0.24 1.80 2.34 -1.23 -1.04 118.68 122.86 2b3a s LEU 61 Ca -0.05 -0.35 -0.09 0.00 0.06 0.00 0.00 54.13 53.71 2b3a s LEU 61 Cb -0.09 -2.00 -0.04 0.00 -0.56 0.00 0.00 46.19 43.51 2b3a s LEU 61 CO 0.01 -0.12 0.11 -0.22 -1.06 0.00 0.00 176.35 175.07 2b3a s LEU 62 N 1.64 3.79 0.12 1.48 0.20 0.18 0.34 118.68 126.43 2b3a s LEU 62 Ca 0.05 -0.03 -0.28 0.00 0.69 0.00 0.00 54.13 54.57 2b3a s LEU 62 Cb -0.16 -2.01 -0.07 0.00 -0.43 0.00 0.00 46.19 43.52 2b3a s LEU 62 CO 0.06 0.03 0.87 -1.10 -0.29 0.00 0.00 176.35 175.92 2b3a s GLN 63 N 1.22 4.64 -0.15 1.98 -0.21 0.21 -0.42 119.66 126.93 2b3a s GLN 63 Ca 0.06 1.29 0.02 0.00 0.02 0.00 0.00 55.36 56.74 2b3a s GLN 63 Cb -0.14 -3.34 0.02 0.00 1.00 0.00 0.00 33.01 30.55 2b3a s GLN 63 CO 0.05 0.35 -0.20 0.42 -2.12 0.00 0.00 175.29 173.79 2b3a s ILE 64 N -0.41 1.95 -0.16 1.08 1.01 0.15 -1.53 121.20 123.29 2b3a s ILE 64 Ca 0.41 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 2b3a s ILE 64 Cb -0.23 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 2b3a s ILE 64 CO 0.27 0.53 -0.27 0.18 0.00 0.00 0.00 174.94 175.65 2b3a n LEU 65 N 4.37 1.84 -3.88 2.97 4.32 -1.17 -2.47 117.00 122.99 2b3a n LEU 65 Ca -0.20 0.47 -0.09 0.00 -0.02 0.00 0.00 56.01 56.16 2b3a n LEU 65 Cb 0.51 -0.80 -0.06 0.00 -1.62 0.00 0.00 43.42 41.45 2b3a n LEU 65 CO 0.26 -0.37 0.09 -0.55 -1.22 0.00 0.00 177.39 175.60 2b3a s SER 66 N -5.79 -0.07 -1.22 -1.43 0.15 -1.24 -4.68 113.70 99.41 2b3a s SER 66 Ca -0.22 -0.73 -0.20 0.00 0.70 0.00 0.00 55.95 55.50 2b3a s SER 66 Cb 0.03 0.49 -0.02 0.00 -1.71 0.00 0.00 66.02 64.81 2b3a s SER 66 CO 0.33 -0.96 1.87 -0.67 1.20 0.00 0.00 173.24 175.01 2b3a n ASP 67 N -0.26 3.87 0.04 5.45 2.03 -1.26 -2.88 116.55 123.55 2b3a n ASP 67 Ca -0.08 -2.80 0.00 0.00 0.52 0.00 0.00 54.79 52.43 2b3a n ASP 67 Cb 0.63 -1.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 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 11.04 -0.76 -4.52 1.67 2.03 -1.26 -5.06 116.55 119.69 2b3a n ASP 68 Ca 0.47 0.52 -0.43 0.00 0.52 0.00 0.00 54.79 55.88 2b3a n ASP 68 Cb 0.46 1.07 -0.05 0.00 -0.72 0.00 0.00 41.12 41.88 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 -1.89 3.35 0.03 -0.67 1.81 -1.14 -5.01 118.95 115.42 2b3a s ARG 69 Ca 0.00 -0.25 0.04 0.00 -1.72 0.00 0.00 55.73 53.80 2b3a s ARG 69 Cb 0.00 -4.02 -0.02 0.00 -0.45 0.00 0.00 34.95 30.46 2b3a s ARG 69 CO 0.00 -1.36 -0.12 0.15 -0.68 0.00 0.00 175.30 173.28 2b3a s LYS 70 N 3.68 0.84 -0.13 3.54 1.02 -1.26 -3.02 119.74 124.42 2b3a s LYS 70 Ca 0.30 -0.64 -0.03 0.00 0.02 0.00 0.00 55.97 55.61 2b3a s LYS 70 Cb -0.13 -0.82 0.05 0.00 -0.52 0.00 0.00 37.83 36.41 2b3a s LYS 70 CO 0.20 0.20 0.05 -0.51 -0.92 0.00 0.00 175.35 174.37 2b3a s LEU 71 N -0.94 0.57 -0.18 3.17 1.43 -0.58 -4.99 118.68 117.16 2b3a s LEU 71 Ca 0.01 -0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 52.42 2b3a s LEU 71 Cb -0.07 -0.36 -0.00 0.00 0.03 0.00 0.00 46.19 45.79 2b3a s LEU 71 CO 0.01 -0.28 1.04 -0.54 0.23 0.00 0.00 176.35 176.81 2b3a s LYS 72 N 2.04 4.32 -0.40 1.70 1.02 -1.26 0.66 119.74 127.81 2b3a s LYS 72 Ca 0.03 1.39 -0.22 0.00 0.02 0.00 0.00 55.97 57.18 2b3a s LYS 72 Cb -0.15 -3.61 0.02 0.00 -0.52 0.00 0.00 37.83 33.57 2b3a s LYS 72 CO -0.07 -0.51 0.73 0.42 -0.92 0.00 0.00 175.35 175.01 2b3a s ILE 73 N 2.74 4.75 0.00 2.17 -1.09 0.15 -4.94 121.20 124.97 2b3a s ILE 73 Ca 0.46 0.55 0.00 0.00 -2.23 0.00 0.00 60.65 59.43 2b3a s ILE 73 Cb -0.17 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 2b3a s ILE 73 CO 0.11 -0.54 0.00 -0.81 -1.23 0.00 0.00 174.94 172.48 2b3a n PRO 74 N 6.43 3.05 0.06 2.79 -0.04 -1.26 -3.52 135.00 142.50 2b3a n PRO 74 Ca 0.01 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.50 2b3a n PRO 74 Cb 0.48 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.02 0.54 5.08 -1.96 -3.36 114.58 114.86 2b3a h GLU 75 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2b3a h GLU 75 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2b3a h GLU 75 CO 0.00 0.24 -0.09 -1.71 -1.00 0.00 0.00 179.01 176.45 2b3a n ASN 76 N -2.87 2.12 -4.76 1.42 4.05 -1.26 -4.37 115.26 109.60 2b3a n ASN 76 Ca -0.07 -1.64 -0.35 0.00 0.45 0.00 0.00 54.58 52.98 2b3a n ASN 76 Cb 0.77 0.08 -0.08 0.00 1.23 0.00 0.00 39.78 41.78 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 -2.12 3.50 0.07 5.20 0.00 -1.26 -5.09 121.76 122.07 2b3a s ALA 77 Ca 0.30 -0.80 -0.19 0.00 0.00 0.00 0.00 51.96 51.27 2b3a s ALA 77 Cb 0.20 -1.61 -0.07 0.00 0.00 0.00 0.00 23.12 21.65 2b3a s ALA 77 CO 0.37 0.63 0.56 -0.80 0.00 0.00 0.00 175.76 176.53 2b3a s ASN 78 N -1.21 7.05 0.10 0.00 0.02 -1.26 -4.22 114.94 115.42 2b3a s ASN 78 Ca 0.17 1.25 -0.16 0.00 -1.02 0.00 0.00 52.86 53.10 2b3a s ASN 78 Cb -0.12 -2.35 -0.06 0.00 0.02 0.00 0.00 41.25 38.74 2b3a s ASN 78 CO 0.07 0.27 1.50 0.58 0.02 0.00 0.00 177.10 179.54 2b3a h VAL 79 N 3.52 1.28 0.00 1.60 2.07 -1.93 -1.64 116.25 121.15 2b3a h VAL 79 Ca -0.50 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 65.91 2b3a h VAL 79 Cb 1.21 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2b3a h VAL 79 CO 0.63 0.36 0.00 -0.26 0.02 0.00 0.00 177.57 178.32 2b3a h PHE 80 N 0.37 0.00 0.00 1.57 -1.00 -1.91 0.20 116.94 116.17 2b3a h PHE 80 Ca 0.08 0.00 -0.32 0.00 2.81 0.00 0.00 57.97 60.54 2b3a h PHE 80 Cb 0.56 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.06 2b3a h PHE 80 CO 0.05 0.00 -2.20 0.66 -1.61 0.00 0.00 178.31 175.21 2b3a n TYR 81 N -2.43 0.00 0.34 -0.55 4.02 -1.08 -4.55 117.16 112.91 2b3a n TYR 81 Ca -0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 2b3a n TYR 81 Cb 0.14 -0.86 0.12 0.00 -0.02 0.00 0.00 39.34 38.71 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 -2.70 2.40 -2.37 -0.72 0.00 -0.64 -5.00 120.51 111.48 2b3a n ALA 82 Ca -0.29 -0.82 -0.34 0.00 0.00 0.00 0.00 53.44 51.98 2b3a n ALA 82 Cb 1.05 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.20 3.93 0.00 0.00 0.23 -0.00 -5.04 119.30 117.22 2b3a s MET 83 Ca 0.23 0.44 0.00 0.00 -1.03 0.00 0.00 55.69 55.33 2b3a s MET 83 Cb 0.14 -2.86 0.00 0.00 -1.53 0.00 0.00 34.83 30.58 2b3a s MET 83 CO 0.20 0.44 0.00 0.27 -2.03 0.00 0.00 175.02 173.90 2b3a n ASN 84 N 0.59 0.00 0.00 -1.18 2.04 -1.26 -4.93 115.26 110.52 2b3a n ASN 84 Ca -0.04 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.10 2b3a n ASN 84 Cb 0.52 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.77 2b3a n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 2b3a n SER 85 N -0.13 0.00 -0.22 0.53 3.41 -0.28 -4.59 113.62 112.34 2b3a n SER 85 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 2b3a n SER 85 Cb 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.10 2b3a n SER 85 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2b3a h THR 86 N 0.00 1.24 -2.85 6.66 2.02 -2.00 -3.34 112.91 114.64 2b3a h THR 86 Ca 0.00 -0.75 -0.60 0.00 0.77 0.00 0.00 66.41 65.83 2b3a h THR 86 Cb 0.00 0.41 -0.40 0.00 -1.74 0.00 0.00 68.15 66.43 2b3a h THR 86 CO 0.00 0.30 -0.77 0.00 0.37 0.00 0.00 175.52 175.42 2b3a s ALA 87 N -5.46 1.93 0.25 6.16 0.00 -1.26 -5.06 121.76 118.31 2b3a s ALA 87 Ca -0.11 -2.51 0.00 0.00 0.00 0.00 0.00 51.96 49.34 2b3a s ALA 87 Cb 0.16 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2b3a s ALA 87 CO 0.81 -2.07 0.00 -1.71 0.00 0.00 0.00 175.76 172.80 2b3a n ASN 88 N 3.48 -3.32 -2.95 0.00 2.85 -1.25 -4.81 115.26 109.25 2b3a n ASN 88 Ca 0.12 0.68 -0.13 0.00 -0.11 0.00 0.00 54.58 55.13 2b3a n ASN 88 Cb 0.36 -1.80 0.03 0.00 1.24 0.00 0.00 39.78 39.61 2b3a n ASN 88 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2b3a n TYR 89 N -2.53 -1.41 -3.71 1.20 0.18 -1.26 -1.13 117.16 108.50 2b3a n TYR 89 Ca -0.02 -2.94 -0.37 0.00 1.88 0.00 0.00 57.90 56.44 2b3a n TYR 89 Cb 0.25 0.64 -0.06 0.00 -0.38 0.00 0.00 39.34 39.79 2b3a n TYR 89 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2b3a s ASP 90 N -1.82 6.52 -0.02 9.48 1.11 -1.03 -1.54 116.67 129.36 2b3a s ASP 90 Ca 0.31 0.62 0.02 0.00 0.18 0.00 0.00 52.55 53.68 2b3a s ASP 90 Cb 0.32 -2.14 0.00 0.00 1.07 0.00 0.00 42.92 42.17 2b3a s ASP 90 CO -0.07 0.33 -0.08 -0.36 1.18 0.00 0.00 175.17 176.17 2b3a s PHE 91 N -0.79 0.89 -0.02 4.23 0.40 -0.41 0.31 117.98 122.59 2b3a s PHE 91 Ca 0.17 -0.22 0.04 0.00 -0.60 0.00 0.00 56.93 56.33 2b3a s PHE 91 Cb -0.14 -0.64 -0.01 0.00 0.51 0.00 0.00 43.02 42.75 2b3a s PHE 91 CO 0.07 -0.10 -0.14 0.08 0.70 0.00 0.00 175.22 175.83 2b3a s VAL 92 N 0.21 1.12 -0.25 -0.44 1.01 0.44 -0.88 120.40 121.62 2b3a s VAL 92 Ca -0.03 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 2b3a s VAL 92 Cb -0.08 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 2b3a s VAL 92 CO 0.00 0.32 0.09 -0.22 0.00 0.00 0.00 175.10 175.30 2b3a s LEU 93 N -0.17 3.62 0.07 3.92 2.96 -0.64 0.50 118.68 128.92 2b3a s LEU 93 Ca 0.02 -0.12 0.07 0.00 -0.22 0.00 0.00 54.13 53.88 2b3a s LEU 93 Cb -0.07 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2b3a s LEU 93 CO 0.00 -0.01 -0.18 -1.59 -1.32 0.00 0.00 176.35 173.25 2b3a s LYS 94 N 1.46 1.10 0.24 1.98 0.00 -0.20 -1.84 119.74 122.48 2b3a s LYS 94 Ca 0.06 -0.97 -0.25 0.00 0.00 0.00 0.00 55.97 54.81 2b3a s LYS 94 Cb -0.15 -1.22 -0.09 0.00 0.00 0.00 0.00 37.83 36.37 2b3a s LYS 94 CO 0.05 0.29 0.84 0.21 0.00 0.00 0.00 175.35 176.75 2b3a s LYS 95 N -1.49 4.54 -0.15 1.78 2.20 -1.26 -0.33 119.74 125.03 2b3a s LYS 95 Ca 0.04 1.19 0.02 0.00 -0.36 0.00 0.00 55.97 56.86 2b3a s LYS 95 Cb -0.09 -3.02 -0.10 0.00 -1.51 0.00 0.00 37.83 33.10 2b3a s LYS 95 CO 0.02 0.43 -0.12 0.54 -0.36 0.00 0.00 175.35 175.86 2b3a n ARG 96 N 1.03 0.51 -0.78 4.03 1.74 0.14 -4.88 116.66 118.45 2b3a n ARG 96 Ca -0.02 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2b3a n ARG 96 Cb 0.49 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 2b3a n ARG 96 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36