#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 -3.74 4.10 0.17 0.00 -1.09 -1.26 -1.35 121.20 118.03 2b3a s ILE 14 Ca 0.07 -0.27 0.07 0.00 -2.23 0.00 0.00 60.65 58.29 2b3a s ILE 14 Cb -0.03 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.96 2b3a s ILE 14 CO -0.02 0.44 -0.14 0.27 -1.23 0.00 0.00 174.94 174.26 2b3a s ILE 15 N 0.78 1.57 0.17 2.92 -4.36 -0.03 -5.00 121.20 117.25 2b3a s ILE 15 Ca 0.01 -2.06 0.10 0.00 -0.26 0.00 0.00 60.65 58.44 2b3a s ILE 15 Cb -0.14 -1.89 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 2b3a s ILE 15 CO 0.02 -0.56 -0.23 -0.60 0.24 0.00 0.00 174.94 173.81 2b3a s ARG 16 N -3.39 1.41 -0.05 0.37 3.52 -0.88 -0.40 118.95 119.53 2b3a s ARG 16 Ca 0.18 -1.43 0.02 0.00 -0.13 0.00 0.00 55.73 54.37 2b3a s ARG 16 Cb -0.01 -1.71 0.02 0.00 -1.56 0.00 0.00 34.95 31.68 2b3a s ARG 16 CO 0.05 0.38 -0.08 0.08 -0.81 0.00 0.00 175.30 174.92 2b3a s VAL 17 N -1.57 0.76 0.20 7.11 1.01 0.63 -0.42 120.40 128.12 2b3a s VAL 17 Ca 0.17 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.92 2b3a s VAL 17 Cb -0.08 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 2b3a s VAL 17 CO 0.08 0.27 -0.05 -0.94 0.00 0.00 0.00 175.10 174.46 2b3a s SER 18 N 0.72 1.88 -0.13 3.32 1.04 0.61 -1.83 113.70 119.31 2b3a s SER 18 Ca -0.12 -1.14 0.02 0.00 0.48 0.00 0.00 55.95 55.19 2b3a s SER 18 Cb -0.14 -0.01 -0.00 0.00 0.10 0.00 0.00 66.02 65.97 2b3a s SER 18 CO 0.01 -0.43 -0.18 -0.76 0.98 0.00 0.00 173.24 172.86 2b3a s LEU 19 N -3.26 2.36 0.28 2.42 1.43 -1.06 -2.36 118.68 118.49 2b3a s LEU 19 Ca 0.24 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2b3a s LEU 19 Cb 0.04 -1.51 0.57 0.00 0.03 0.00 0.00 46.19 45.32 2b3a s LEU 19 CO 0.06 0.12 1.83 -0.78 0.23 0.00 0.00 176.35 177.80 2b3a h ASP 20 N 7.05 0.91 -1.26 2.29 3.58 -1.61 0.14 116.42 127.50 2b3a h ASP 20 Ca -0.28 0.05 0.37 0.00 0.42 0.00 0.00 57.03 57.59 2b3a h ASP 20 Cb 1.21 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 42.08 2b3a h ASP 20 CO 0.54 0.46 0.94 1.62 -2.88 0.00 0.00 179.24 179.92 2b3a h VAL 21 N 0.97 0.33 0.00 2.25 3.04 -1.95 -3.29 116.25 117.60 2b3a h VAL 21 Ca 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.20 2b3a h VAL 21 Cb 0.53 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 2b3a h VAL 21 CO -0.28 0.00 -0.51 -0.67 -1.01 0.00 0.00 177.57 175.10 2b3a n ASP 22 N -4.08 1.12 -3.67 3.17 2.03 -0.78 -5.09 116.55 109.26 2b3a n ASP 22 Ca 0.27 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.50 2b3a n ASP 22 Cb 1.35 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 41.66 2b3a n ASP 22 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2b3a s ASN 23 N -4.19 -0.58 -0.32 1.67 6.03 0.41 -5.04 114.94 112.92 2b3a s ASN 23 Ca 0.00 1.11 -0.00 0.00 -1.03 0.00 0.00 52.86 52.94 2b3a s ASN 23 Cb 0.00 1.24 0.28 0.00 -3.03 0.00 0.00 41.25 39.74 2b3a s ASN 23 CO 0.00 -0.22 1.85 0.61 -2.03 0.00 0.00 177.10 177.31 2b3a n GLY 24 N 4.76 4.00 3.26 0.45 0.00 -1.25 -2.55 105.19 113.87 2b3a n GLY 24 Ca -0.17 -1.03 0.03 0.00 0.00 0.00 0.00 46.02 44.86 2b3a n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2b3a s ASN 25 N -0.13 -0.92 0.02 1.61 3.84 -1.26 -4.97 114.94 113.14 2b3a s ASN 25 Ca 0.34 0.77 0.00 0.00 0.21 0.00 0.00 52.86 54.18 2b3a s ASN 25 Cb 0.27 1.85 0.00 0.00 -0.55 0.00 0.00 41.25 42.82 2b3a s ASN 25 CO 0.02 -0.17 0.00 0.80 -2.79 0.00 0.00 177.10 174.95 2b3a n MET 26 N 5.36 -1.66 0.00 0.43 0.00 -1.26 -4.99 117.12 114.99 2b3a n MET 26 Ca -0.06 1.54 0.00 0.00 0.00 0.00 0.00 57.70 59.18 2b3a n MET 26 Cb 0.52 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 32.06 2b3a n MET 26 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2b3a n TYR 27 N 0.58 0.00 -4.03 1.12 4.01 -1.13 -4.82 117.16 112.89 2b3a n TYR 27 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 2b3a n TYR 27 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 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 1.14 3.21 0.03 -0.72 -2.85 -0.76 -4.78 119.74 115.00 2b3a s LYS 28 Ca 0.00 -0.87 -0.18 0.00 -1.00 0.00 0.00 55.97 53.92 2b3a s LYS 28 Cb 0.00 -2.75 -0.06 0.00 -2.06 0.00 0.00 37.83 32.96 2b3a s LYS 28 CO 0.00 0.43 0.53 -1.12 0.10 0.00 0.00 175.35 175.29 2b3a s SER 29 N -3.82 6.97 -0.02 0.03 0.01 -1.26 -0.27 113.70 115.33 2b3a s SER 29 Ca 0.33 1.15 0.01 0.00 1.31 0.00 0.00 55.95 58.75 2b3a s SER 29 Cb -0.09 -2.33 0.01 0.00 0.21 0.00 0.00 66.02 63.82 2b3a s SER 29 CO 0.27 0.24 -0.04 -0.63 0.41 0.00 0.00 173.24 173.49 2b3a s ILE 30 N -0.84 0.42 -0.16 1.44 -1.09 0.46 -4.95 121.20 116.48 2b3a s ILE 30 Ca 0.28 -0.14 -0.10 0.00 -2.23 0.00 0.00 60.65 58.46 2b3a s ILE 30 Cb -0.18 -0.41 -0.05 0.00 -1.58 0.00 0.00 42.46 40.24 2b3a s ILE 30 CO 0.17 0.16 0.18 -0.22 -1.23 0.00 0.00 174.94 173.99 2b3a s LEU 31 N 0.39 4.28 -0.15 2.97 0.20 -1.26 -0.85 118.68 124.27 2b3a s LEU 31 Ca -0.04 0.39 -0.03 0.00 0.69 0.00 0.00 54.13 55.14 2b3a s LEU 31 Cb -0.08 -2.16 -0.02 0.00 -0.43 0.00 0.00 46.19 43.49 2b3a s LEU 31 CO -0.00 0.24 -0.06 0.54 -0.29 0.00 0.00 176.35 176.78 2b3a s VAL 32 N -0.11 3.71 0.40 1.68 0.11 -0.46 -4.96 120.40 120.77 2b3a s VAL 32 Ca 0.13 -0.42 0.08 0.00 -2.93 0.00 0.00 61.98 58.83 2b3a s VAL 32 Cb -0.12 -2.61 -0.02 0.00 -1.53 0.00 0.00 36.38 32.10 2b3a s VAL 32 CO 0.02 0.50 0.40 0.42 -3.33 0.00 0.00 175.10 173.11 2b3a s THR 33 N 0.30 2.90 -1.32 5.04 -4.23 -1.26 -2.01 115.64 115.06 2b3a s THR 33 Ca -0.05 -1.28 0.14 0.00 -1.18 0.00 0.00 61.69 59.33 2b3a s THR 33 Cb -0.14 -3.04 0.21 0.00 1.34 0.00 0.00 72.50 70.87 2b3a s THR 33 CO 0.03 -0.03 1.40 -1.54 -0.54 0.00 0.00 174.62 173.94 2b3a n SER 34 N -1.58 0.00 -0.46 3.99 3.41 -0.46 -2.73 113.62 115.79 2b3a n SER 34 Ca 0.03 0.19 0.14 0.00 -0.26 0.00 0.00 58.87 58.98 2b3a n SER 34 Cb 0.61 -0.34 0.51 0.00 -0.26 0.00 0.00 64.21 64.73 2b3a n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b3a n GLN 35 N -1.34 1.59 -4.45 4.33 10.64 -1.26 -4.90 117.38 121.99 2b3a n GLN 35 Ca 0.06 -0.93 -0.22 0.00 -1.83 0.00 0.00 57.00 54.08 2b3a n GLN 35 Cb 0.13 -1.48 -0.10 0.00 -0.86 0.00 0.00 30.24 27.92 2b3a n GLN 35 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2b3a s ASP 36 N -2.04 3.09 0.29 2.61 2.15 -1.10 -5.16 116.67 116.50 2b3a s ASP 36 Ca 0.37 -1.14 0.09 0.00 0.43 0.00 0.00 52.55 52.30 2b3a s ASP 36 Cb 0.21 -0.23 -0.06 0.00 -0.30 0.00 0.00 42.92 42.55 2b3a s ASP 36 CO 0.35 -0.22 -0.13 -0.54 -0.17 0.00 0.00 175.17 174.46 2b3a s LYS 37 N -3.65 1.64 0.17 4.34 1.02 -1.26 -4.88 119.74 117.12 2b3a s LYS 37 Ca 0.29 -1.80 -0.13 0.00 0.02 0.00 0.00 55.97 54.35 2b3a s LYS 37 Cb 0.01 -1.50 0.07 0.00 -0.52 0.00 0.00 37.83 35.89 2b3a s LYS 37 CO 0.13 0.18 1.80 0.00 -0.92 0.00 0.00 175.35 176.54 2b3a h ALA 38 N 2.24 0.70 -0.98 5.17 0.00 -1.81 -0.08 119.26 124.51 2b3a h ALA 38 Ca -0.40 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.46 2b3a h ALA 38 Cb 1.24 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2b3a h ALA 38 CO 0.65 0.20 0.64 -1.00 0.00 0.00 0.00 179.25 179.74 2b3a h PRO 39 N 0.74 1.22 -0.10 0.00 0.13 -1.84 0.16 132.00 132.31 2b3a h PRO 39 Ca 0.20 -0.07 -0.18 0.00 -0.87 0.00 0.00 66.00 65.07 2b3a h PRO 39 Cb 0.00 -0.28 -0.00 0.00 0.13 0.00 0.00 31.00 30.85 2b3a h PRO 39 CO -0.04 0.81 -0.71 0.00 -0.23 0.00 0.00 178.00 177.84 2b3a h ALA 40 N 1.40 0.58 -0.62 -0.56 0.00 -1.90 -2.53 119.26 115.63 2b3a h ALA 40 Ca 0.39 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2b3a h ALA 40 Cb -0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2b3a h ALA 40 CO -0.12 0.74 0.27 0.28 0.00 0.00 0.00 179.25 180.42 2b3a h VAL 41 N 0.33 1.21 -0.17 0.00 2.07 -0.09 0.51 116.25 120.11 2b3a h VAL 41 Ca -0.03 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 66.90 2b3a h VAL 41 Cb 1.28 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 2b3a h VAL 41 CO 0.13 0.26 -0.09 0.40 0.02 0.00 0.00 177.57 178.28 2b3a h ILE 42 N 0.88 0.72 -0.78 4.57 2.04 -0.45 0.27 117.51 124.76 2b3a h ILE 42 Ca 0.21 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.03 2b3a h ILE 42 Cb 0.14 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2b3a h ILE 42 CO -0.02 0.00 0.31 0.03 0.00 0.00 0.00 178.15 178.46 2b3a h ARG 43 N -0.08 1.16 -0.30 2.37 3.08 -0.86 -2.13 114.38 117.62 2b3a h ARG 43 Ca 0.10 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 2b3a h ARG 43 Cb 0.22 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2b3a h ARG 43 CO -0.22 0.94 -0.07 0.87 -1.07 0.00 0.00 179.97 180.42 2b3a h LYS 44 N 1.13 0.57 -0.06 0.04 1.79 0.86 0.32 116.57 121.22 2b3a h LYS 44 Ca 0.26 -0.22 -0.20 0.00 -2.18 0.00 0.00 60.65 58.31 2b3a h LYS 44 Cb 0.21 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2b3a h LYS 44 CO -0.02 0.77 -0.79 0.00 -1.08 0.00 0.00 179.45 178.33 2b3a h ALA 45 N 0.79 0.53 -0.22 3.86 0.00 -0.46 0.11 119.26 123.87 2b3a h ALA 45 Ca 0.07 -0.64 -0.14 0.00 0.00 0.00 0.00 54.91 54.21 2b3a h ALA 45 Cb 0.56 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2b3a h ALA 45 CO 0.03 0.78 -0.45 0.00 0.00 0.00 0.00 179.25 179.60 2b3a h MET 46 N 0.27 0.56 -0.29 0.00 -0.00 -1.39 -2.20 114.93 111.88 2b3a h MET 46 Ca -0.04 -0.31 0.04 0.00 -0.00 0.00 0.00 59.70 59.39 2b3a h MET 46 Cb 1.38 0.02 -0.04 0.00 -0.00 0.00 0.00 31.60 32.96 2b3a h MET 46 CO 0.14 0.90 0.03 0.22 -0.00 0.00 0.00 176.91 178.20 2b3a h ASP 47 N 0.45 -0.04 0.26 -0.10 3.58 -0.46 0.17 116.42 120.29 2b3a h ASP 47 Ca 0.03 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 2b3a h ASP 47 Cb 0.97 0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 2b3a h ASP 47 CO 0.09 0.01 -0.06 0.11 -2.88 0.00 0.00 179.24 176.51 2b3a h LYS 48 N 0.13 0.00 -0.47 0.28 6.56 -0.65 0.60 116.57 123.02 2b3a h LYS 48 Ca 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.73 2b3a h LYS 48 Cb 0.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 2b3a h LYS 48 CO -0.20 0.06 0.00 0.72 -2.06 0.00 0.00 179.45 177.98 2b3a n HIS 49 N -3.58 0.62 -3.30 -1.35 8.25 -0.42 -4.95 115.22 110.48 2b3a n HIS 49 Ca -0.02 -0.31 -0.16 0.00 -0.26 0.00 0.00 57.72 56.98 2b3a n HIS 49 Cb 0.18 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.37 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 1.21 -2.07 -2.47 0.41 4.05 0.20 -4.95 115.26 111.64 2b3a n ASN 50 Ca 0.19 -0.56 -0.16 0.00 0.45 0.00 0.00 54.58 54.50 2b3a n ASN 50 Cb 0.52 -4.71 0.02 0.00 1.23 0.00 0.00 39.78 36.84 2b3a n ASN 50 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2b3a n LEU 51 N -3.85 3.33 0.31 1.20 4.77 0.47 -4.85 117.00 118.38 2b3a n LEU 51 Ca -0.26 -4.25 0.19 0.00 -0.03 0.00 0.00 56.01 51.66 2b3a n LEU 51 Cb 0.65 -0.01 1.01 0.00 -2.33 0.00 0.00 43.42 42.74 2b3a n LEU 51 CO 0.55 1.77 1.12 -0.33 -1.33 0.00 0.00 177.39 179.18 2b3a h GLU 52 N 2.57 0.00 0.00 3.23 3.07 -1.85 -0.37 114.58 121.22 2b3a h GLU 52 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2b3a h GLU 52 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 2b3a h GLU 52 CO 0.59 0.02 -0.27 -0.85 -1.40 0.00 0.00 179.01 177.10 2b3a n GLU 53 N -3.39 0.12 -2.28 2.33 0.28 -1.26 -4.29 120.64 112.14 2b3a n GLU 53 Ca -0.02 0.06 -0.40 0.00 -0.16 0.00 0.00 57.16 56.64 2b3a n GLU 53 Cb 0.12 -1.60 0.03 0.00 1.43 0.00 0.00 31.44 31.42 2b3a n GLU 53 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2b3a n GLU 54 N -1.78 4.00 -1.40 3.44 -0.58 -0.15 -5.02 120.64 119.15 2b3a n GLU 54 Ca 0.05 -4.09 -0.38 0.00 -0.42 0.00 0.00 57.16 52.32 2b3a n GLU 54 Cb 0.38 -2.36 0.04 0.00 -0.57 0.00 0.00 31.44 28.93 2b3a n GLU 54 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2b3a n GLU 55 N -0.31 0.40 0.12 3.49 -0.58 -1.26 -4.62 120.64 117.87 2b3a n GLU 55 Ca 0.50 0.16 0.08 0.00 -0.42 0.00 0.00 57.16 57.47 2b3a n GLU 55 Cb 0.26 -1.60 0.41 0.00 -0.57 0.00 0.00 31.44 29.94 2b3a n GLU 55 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2b3a n PRO 56 N 0.14 0.10 -0.18 3.49 -0.02 -1.26 -0.88 135.00 136.38 2b3a n PRO 56 Ca 0.11 0.58 0.11 0.00 -2.02 0.00 0.00 63.50 62.28 2b3a n PRO 56 Cb 0.48 -1.88 0.42 0.00 -0.02 0.00 0.00 33.50 32.50 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 0.58 0.00 -0.52 4.39 -2.00 -3.09 114.58 113.94 2b3a h GLU 57 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2b3a h GLU 57 Cb 0.12 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2b3a h GLU 57 CO 0.00 0.38 -0.60 -0.25 -1.16 0.00 0.00 179.01 177.39 2b3a n ASP 58 N -4.50 1.39 -4.59 1.42 9.92 -0.06 -4.81 116.55 115.32 2b3a n ASP 58 Ca 0.13 -0.42 -0.27 0.00 -0.53 0.00 0.00 54.79 53.70 2b3a n ASP 58 Cb 0.39 1.09 -0.11 0.00 -0.64 0.00 0.00 41.12 41.85 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 -1.82 2.47 0.06 1.24 1.51 -0.91 0.20 117.35 120.09 2b3a s TYR 59 Ca 0.01 -0.59 0.02 0.00 -1.01 0.00 0.00 57.07 55.50 2b3a s TYR 59 Cb 0.04 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.25 2b3a s TYR 59 CO 0.24 0.50 -0.08 -1.21 -1.11 0.00 0.00 175.55 173.89 2b3a s GLU 60 N -3.67 0.61 -0.27 -0.62 0.41 -0.23 -4.43 118.70 110.50 2b3a s GLU 60 Ca 0.34 -0.91 -0.09 0.00 -0.41 0.00 0.00 54.97 53.90 2b3a s GLU 60 Cb 0.07 -0.29 -0.03 0.00 -1.78 0.00 0.00 34.13 32.10 2b3a s GLU 60 CO 0.17 0.04 0.11 -1.17 -0.49 0.00 0.00 175.26 173.92 2b3a s LEU 61 N -1.95 3.73 -0.04 1.80 0.20 -1.26 -1.67 118.68 119.48 2b3a s LEU 61 Ca -0.04 -0.26 0.06 0.00 0.69 0.00 0.00 54.13 54.57 2b3a s LEU 61 Cb -0.06 -1.98 -0.02 0.00 -0.43 0.00 0.00 46.19 43.70 2b3a s LEU 61 CO -0.01 -0.08 -0.21 -0.22 -0.29 0.00 0.00 176.35 175.54 2b3a s LEU 62 N 1.64 2.36 0.03 -0.68 0.20 0.68 -1.00 118.68 121.90 2b3a s LEU 62 Ca 0.06 -0.36 -0.24 0.00 0.69 0.00 0.00 54.13 54.28 2b3a s LEU 62 Cb -0.16 -1.44 -0.05 0.00 -0.43 0.00 0.00 46.19 44.11 2b3a s LEU 62 CO 0.06 0.31 0.72 -1.10 -0.29 0.00 0.00 176.35 176.05 2b3a s GLN 63 N -0.54 4.45 -0.09 1.98 -0.21 0.21 -0.31 119.66 125.14 2b3a s GLN 63 Ca 0.08 0.97 0.04 0.00 0.02 0.00 0.00 55.36 56.46 2b3a s GLN 63 Cb -0.11 -3.36 0.00 0.00 1.00 0.00 0.00 33.01 30.54 2b3a s GLN 63 CO 0.01 0.29 -0.21 0.42 -2.12 0.00 0.00 175.29 173.67 2b3a s ILE 64 N -0.03 1.83 0.00 1.08 1.09 0.12 -0.75 121.20 124.54 2b3a s ILE 64 Ca 0.37 -0.89 0.00 0.00 -1.10 0.00 0.00 60.65 59.03 2b3a s ILE 64 Cb -0.20 -1.60 0.00 0.00 -1.06 0.00 0.00 42.46 39.61 2b3a s ILE 64 CO 0.21 0.51 0.00 0.18 -0.10 0.00 0.00 174.94 175.74 2b3a n LEU 65 N 3.58 0.00 -3.35 2.97 4.32 -1.01 -2.53 117.00 120.98 2b3a n LEU 65 Ca -0.20 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.62 2b3a n LEU 65 Cb 0.53 -0.06 -0.07 0.00 -1.62 0.00 0.00 43.42 42.19 2b3a n LEU 65 CO 0.27 -0.08 -0.15 -0.44 -1.22 0.00 0.00 177.39 175.77 2b3a s SER 66 N -1.07 1.06 -0.25 -1.43 0.01 -1.26 -4.94 113.70 105.83 2b3a s SER 66 Ca 0.00 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 55.61 2b3a s SER 66 Cb 0.00 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2b3a s SER 66 CO 0.00 -0.25 0.00 -0.90 0.41 0.00 0.00 173.24 172.50 2b3a n ASP 67 N 4.13 -0.88 0.09 2.44 5.75 -1.26 -4.20 116.55 122.63 2b3a n ASP 67 Ca 0.12 0.15 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 2b3a n ASP 67 Cb 0.46 -1.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.42 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 0.18 -1.27 -4.55 -1.12 -0.08 -1.26 -5.01 116.55 103.43 2b3a n ASP 68 Ca -0.03 0.35 -0.41 0.00 -1.51 0.00 0.00 54.79 53.20 2b3a n ASP 68 Cb 0.19 1.39 -0.03 0.00 2.34 0.00 0.00 41.12 45.00 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 -1.44 3.19 -0.01 -0.67 0.52 -1.26 -4.93 118.95 114.34 2b3a s ARG 69 Ca 0.00 -0.29 0.01 0.00 -0.52 0.00 0.00 55.73 54.93 2b3a s ARG 69 Cb 0.00 -4.36 0.01 0.00 0.52 0.00 0.00 34.95 31.11 2b3a s ARG 69 CO 0.00 -2.22 -0.03 0.15 0.02 0.00 0.00 175.30 173.22 2b3a s LYS 70 N 5.76 0.36 -0.01 3.54 1.02 -1.26 -2.41 119.74 126.74 2b3a s LYS 70 Ca 0.40 -0.08 0.02 0.00 0.02 0.00 0.00 55.97 56.32 2b3a s LYS 70 Cb -0.07 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 36.84 2b3a s LYS 70 CO 0.12 0.02 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.00 2b3a s LEU 71 N 0.27 1.86 0.22 3.17 1.43 0.07 -4.95 118.68 120.76 2b3a s LEU 71 Ca -0.03 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.67 2b3a s LEU 71 Cb -0.06 -0.32 -0.08 0.00 0.03 0.00 0.00 46.19 45.76 2b3a s LEU 71 CO -0.01 0.04 0.97 -0.54 0.23 0.00 0.00 176.35 177.05 2b3a s LYS 72 N 0.08 4.79 -0.36 1.70 3.01 -1.26 0.65 119.74 128.35 2b3a s LYS 72 Ca -0.01 1.54 -0.09 0.00 -1.01 0.00 0.00 55.97 56.41 2b3a s LYS 72 Cb -0.05 -3.28 0.04 0.00 -1.01 0.00 0.00 37.83 33.52 2b3a s LYS 72 CO -0.00 0.40 0.16 0.42 0.51 0.00 0.00 175.35 176.84 2b3a s ILE 73 N -0.93 4.17 0.82 2.17 -1.09 -0.17 -4.88 121.20 121.29 2b3a s ILE 73 Ca 0.43 -1.02 -0.07 0.00 -2.23 0.00 0.00 60.65 57.77 2b3a s ILE 73 Cb -0.27 -3.35 0.16 0.00 -1.58 0.00 0.00 42.46 37.42 2b3a s ILE 73 CO 0.33 -0.22 1.12 -2.16 -1.23 0.00 0.00 174.94 172.79 2b3a s PRO 74 N 1.47 1.25 0.20 2.79 0.04 -1.26 -4.39 135.00 135.10 2b3a s PRO 74 Ca 0.00 -0.87 0.03 0.00 0.04 0.00 0.00 61.00 60.20 2b3a s PRO 74 Cb -0.19 -2.15 0.11 0.00 0.04 0.00 0.00 34.50 32.31 2b3a s PRO 74 CO 0.05 -1.84 1.46 0.93 0.04 0.00 0.00 177.00 177.64 2b3a h GLU 75 N -0.97 0.22 0.00 4.56 5.08 -1.98 -3.10 114.58 118.39 2b3a h GLU 75 Ca -0.39 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 2b3a h GLU 75 Cb 1.25 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2b3a h GLU 75 CO 0.39 0.87 0.00 -0.97 -1.00 0.00 0.00 179.01 178.30 2b3a h ASN 76 N 0.14 0.00 -3.35 1.42 -0.00 -2.00 -3.40 115.58 108.39 2b3a h ASN 76 Ca -0.03 0.00 -0.57 0.00 -0.00 0.00 0.00 56.30 55.70 2b3a h ASN 76 Cb 1.32 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 39.57 2b3a h ASN 76 CO 0.12 0.00 0.01 0.00 -0.00 0.00 0.00 177.43 177.55 2b3a s ALA 77 N -3.21 3.41 0.35 1.57 0.00 -1.17 -5.03 121.76 117.68 2b3a s ALA 77 Ca 0.08 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.74 2b3a s ALA 77 Cb 0.08 -2.84 -0.09 0.00 0.00 0.00 0.00 23.12 20.26 2b3a s ALA 77 CO 0.63 -0.11 1.12 -0.80 0.00 0.00 0.00 175.76 176.60 2b3a s ASN 78 N 0.77 6.85 0.20 0.00 0.02 -1.26 -4.37 114.94 117.16 2b3a s ASN 78 Ca 0.32 2.26 -0.11 0.00 -1.02 0.00 0.00 52.86 54.32 2b3a s ASN 78 Cb -0.17 -2.61 0.25 0.00 0.02 0.00 0.00 41.25 38.74 2b3a s ASN 78 CO 0.14 -0.44 1.74 0.58 0.02 0.00 0.00 177.10 179.14 2b3a h VAL 79 N 2.60 0.76 -0.67 1.60 2.07 -1.92 0.14 116.25 120.83 2b3a h VAL 79 Ca -0.48 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 2b3a h VAL 79 Cb 1.22 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 2b3a h VAL 79 CO 0.64 0.07 0.21 -0.26 0.02 0.00 0.00 177.57 178.24 2b3a h PHE 80 N 0.36 1.05 0.02 1.57 0.04 -1.95 -2.13 116.94 115.89 2b3a h PHE 80 Ca 0.29 -0.10 -0.21 0.00 2.80 0.00 0.00 57.97 60.75 2b3a h PHE 80 Cb 0.36 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2b3a h PHE 80 CO -0.18 0.84 -0.94 1.88 -0.60 0.00 0.00 178.31 179.30 2b3a h TYR 81 N 0.98 0.39 -0.00 -0.55 -1.99 -1.70 -3.26 116.97 110.84 2b3a h TYR 81 Ca 0.22 -0.22 0.00 0.00 2.00 0.00 0.00 58.73 60.72 2b3a h TYR 81 Cb 0.28 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 38.97 2b3a h TYR 81 CO 0.02 1.06 -0.27 0.00 -0.00 0.00 0.00 178.16 178.97 2b3a n ALA 82 N -2.49 3.02 -2.23 3.88 0.00 0.40 -4.88 120.51 118.22 2b3a n ALA 82 Ca -0.05 -0.27 -0.32 0.00 0.00 0.00 0.00 53.44 52.81 2b3a n ALA 82 Cb 0.84 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.87 3.89 0.12 0.00 0.23 -0.83 -4.97 119.30 114.87 2b3a s MET 83 Ca 0.16 0.50 0.09 0.00 -1.03 0.00 0.00 55.69 55.41 2b3a s MET 83 Cb 0.19 -2.48 -0.17 0.00 -1.53 0.00 0.00 34.83 30.83 2b3a s MET 83 CO 0.60 0.15 1.21 -2.95 -2.03 0.00 0.00 175.02 172.00 2b3a h ASN 84 N 2.05 0.00 0.00 -1.18 7.08 -1.90 -3.47 115.58 118.16 2b3a h ASN 84 Ca -0.47 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.75 2b3a h ASN 84 Cb 1.18 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.42 2b3a h ASN 84 CO 0.66 0.92 0.00 -1.54 -2.08 0.00 0.00 177.43 175.39 2b3a n SER 85 N -3.28 0.00 0.26 6.14 3.41 -1.26 -4.18 113.62 114.71 2b3a n SER 85 Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.71 2b3a n SER 85 Cb 0.92 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 65.59 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 0.61 0.00 6.66 2.02 -2.04 -3.38 112.91 116.79 2b3a h THR 86 Ca 0.00 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2b3a h THR 86 Cb 0.00 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2b3a h THR 86 CO 0.00 0.11 -0.05 0.00 0.37 0.00 0.00 175.52 175.95 2b3a n ALA 87 N -2.30 0.58 -3.98 6.16 0.00 -1.26 -5.11 120.51 114.60 2b3a n ALA 87 Ca -0.02 -0.24 -0.16 0.00 0.00 0.00 0.00 53.44 53.02 2b3a n ALA 87 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.63 2b3a n ALA 87 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2b3a n ASN 88 N -2.61 -0.79 -2.70 0.00 2.85 -1.26 -5.10 115.26 105.65 2b3a n ASN 88 Ca -0.01 -2.73 -0.07 0.00 -0.11 0.00 0.00 54.58 51.66 2b3a n ASN 88 Cb 0.03 1.65 0.11 0.00 1.24 0.00 0.00 39.78 42.81 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 -0.51 -2.19 -4.24 1.20 0.18 -1.26 -4.14 117.16 106.20 2b3a n TYR 89 Ca 0.04 -1.98 -0.35 0.00 1.88 0.00 0.00 57.90 57.49 2b3a n TYR 89 Cb 0.50 1.45 -0.10 0.00 -0.38 0.00 0.00 39.34 40.82 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 -1.35 5.38 -0.04 9.48 2.15 -1.05 -2.07 116.67 129.17 2b3a s ASP 90 Ca 0.22 0.13 0.06 0.00 0.43 0.00 0.00 52.55 53.38 2b3a s ASP 90 Cb 0.41 -1.69 -0.01 0.00 -0.30 0.00 0.00 42.92 41.33 2b3a s ASP 90 CO -0.08 0.31 -0.21 -0.36 -0.17 0.00 0.00 175.17 174.66 2b3a s PHE 91 N -0.44 2.01 0.02 -5.34 0.40 0.44 0.16 117.98 115.23 2b3a s PHE 91 Ca 0.09 -0.53 0.06 0.00 -0.60 0.00 0.00 56.93 55.94 2b3a s PHE 91 Cb -0.12 -1.33 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 2b3a s PHE 91 CO 0.02 -0.15 -0.18 0.08 0.70 0.00 0.00 175.22 175.70 2b3a s VAL 92 N -0.18 1.42 -0.24 -0.44 1.01 0.58 -0.28 120.40 122.27 2b3a s VAL 92 Ca -0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 2b3a s VAL 92 Cb -0.11 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2b3a s VAL 92 CO 0.02 0.23 0.10 -0.22 0.00 0.00 0.00 175.10 175.22 2b3a s LEU 93 N -0.88 3.71 0.06 3.92 0.20 -1.00 -0.23 118.68 124.46 2b3a s LEU 93 Ca 0.06 -0.07 0.07 0.00 0.69 0.00 0.00 54.13 54.88 2b3a s LEU 93 Cb -0.08 -1.99 -0.03 0.00 -0.43 0.00 0.00 46.19 43.67 2b3a s LEU 93 CO 0.01 0.03 -0.19 -1.59 -0.29 0.00 0.00 176.35 174.32 2b3a s LYS 94 N 1.26 1.15 0.16 1.98 0.00 -0.67 -2.31 119.74 121.30 2b3a s LYS 94 Ca 0.05 -0.97 -0.30 0.00 0.00 0.00 0.00 55.97 54.75 2b3a s LYS 94 Cb -0.14 -1.28 -0.07 0.00 0.00 0.00 0.00 37.83 36.34 2b3a s LYS 94 CO 0.04 0.31 0.96 0.21 0.00 0.00 0.00 175.35 176.87 2b3a s LYS 95 N -1.45 4.75 -0.03 1.78 2.20 -1.26 -1.06 119.74 124.67 2b3a s LYS 95 Ca 0.05 1.47 -0.04 0.00 -0.36 0.00 0.00 55.97 57.09 2b3a s LYS 95 Cb -0.09 -3.34 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 2b3a s LYS 95 CO 0.02 0.32 -0.08 0.54 -0.36 0.00 0.00 175.35 175.80 2b3a n ARG 96 N 2.32 0.11 -0.39 4.03 1.74 0.13 -4.93 116.66 119.67 2b3a n ARG 96 Ca 0.01 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2b3a n ARG 96 Cb 0.48 -0.58 0.00 0.00 -1.02 0.00 0.00 32.46 31.35 2b3a n ARG 96 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52