#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rax s GLN 24 N 0.00 2.43 0.99 -1.09 -1.52 -1.26 -5.10 119.66 114.12 1rax s GLN 24 Ca 0.00 -1.61 -0.14 0.00 -1.95 0.00 0.00 55.36 51.67 1rax s GLN 24 Cb 0.00 -2.55 0.06 0.00 -0.22 0.00 0.00 33.01 30.30 1rax s GLN 24 CO 0.00 -0.62 0.35 0.28 -0.25 0.00 0.00 175.29 175.05 1rax n VAL 25 N -2.01 0.00 -3.49 1.09 0.31 -1.26 -4.48 118.33 108.49 1rax n VAL 25 Ca 0.10 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1rax n VAL 25 Cb 0.61 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 1rax n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rax n GLY 26 N 1.56 2.97 0.00 2.92 0.00 -1.26 -4.80 105.19 106.58 1rax n GLY 26 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1rax n GLY 26 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rax n ASP 27 N 2.37 0.00 -4.20 1.61 5.75 -1.26 -5.08 116.55 115.73 1rax n ASP 27 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.66 1rax n ASP 27 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 1rax n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rax s ILE 30 N -3.12 5.09 0.17 0.00 1.01 -1.26 -0.44 121.20 122.64 1rax s ILE 30 Ca -0.01 0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.79 1rax s ILE 30 Cb 0.01 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 1rax s ILE 30 CO -0.07 0.41 -0.04 0.27 0.00 0.00 0.00 174.94 175.51 1rax s ILE 31 N 0.70 3.52 -0.26 2.92 -4.36 -0.21 -4.96 121.20 118.55 1rax s ILE 31 Ca 0.06 -1.48 -0.08 0.00 -0.26 0.00 0.00 60.65 58.89 1rax s ILE 31 Cb -0.13 -2.75 -0.03 0.00 1.25 0.00 0.00 42.46 40.80 1rax s ILE 31 CO 0.01 -0.09 0.10 -0.60 0.24 0.00 0.00 174.94 174.60 1rax s ARG 32 N -2.84 3.65 -0.15 0.37 3.52 -0.64 -2.16 118.95 120.71 1rax s ARG 32 Ca 0.26 -0.49 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 1rax s ARG 32 Cb -0.09 -3.40 0.02 0.00 -1.56 0.00 0.00 34.95 29.92 1rax s ARG 32 CO 0.17 -0.22 -0.13 0.08 -0.81 0.00 0.00 175.30 174.39 1rax s VAL 33 N 1.63 1.48 0.32 7.11 1.01 0.51 0.45 120.40 132.92 1rax s VAL 33 Ca 0.06 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.51 1rax s VAL 33 Cb -0.15 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1rax s VAL 33 CO 0.05 0.42 0.37 -0.55 0.00 0.00 0.00 175.10 175.39 1rax s SER 34 N 1.52 5.66 -0.05 3.32 0.15 -0.52 -1.31 113.70 122.47 1rax s SER 34 Ca 0.05 -0.31 -0.04 0.00 0.70 0.00 0.00 55.95 56.34 1rax s SER 34 Cb -0.13 -1.17 -0.04 0.00 -1.71 0.00 0.00 66.02 62.97 1rax s SER 34 CO -0.10 -0.35 0.17 -0.76 1.20 0.00 0.00 173.24 173.40 1rax s LEU 35 N -4.06 4.38 -0.99 3.45 1.02 -1.14 -0.75 118.68 120.59 1rax s LEU 35 Ca 0.42 0.40 -0.01 0.00 0.02 0.00 0.00 54.13 54.95 1rax s LEU 35 Cb -0.08 -2.43 0.31 0.00 0.02 0.00 0.00 46.19 44.02 1rax s LEU 35 CO 0.29 0.31 1.54 -0.67 0.02 0.00 0.00 176.35 177.83 1rax n ASP 36 N 1.32 6.49 -1.12 2.29 -0.08 -0.23 -4.37 116.55 120.84 1rax n ASP 36 Ca -0.14 -3.55 0.09 0.00 -1.51 0.00 0.00 54.79 49.68 1rax n ASP 36 Cb 0.53 -1.14 0.27 0.00 2.34 0.00 0.00 41.12 43.13 1rax n ASP 36 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1rax n VAL 37 N 0.61 1.41 0.00 5.18 0.24 -1.26 -4.68 118.33 119.83 1rax n VAL 37 Ca 0.35 -1.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 1rax n VAL 37 Cb 0.31 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1rax n VAL 37 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1rax n ASP 38 N 0.84 0.00 -2.97 -1.34 -0.08 -1.26 -4.89 116.55 106.84 1rax n ASP 38 Ca 0.20 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.38 1rax n ASP 38 Cb 0.67 -0.10 0.01 0.00 2.34 0.00 0.00 41.12 44.04 1rax n ASP 38 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1rax s ASN 39 N -2.58 0.28 0.00 1.67 3.04 -1.26 -5.02 114.94 111.06 1rax s ASN 39 Ca 0.00 -1.26 0.00 0.00 0.04 0.00 0.00 52.86 51.64 1rax s ASN 39 Cb 0.00 0.81 0.00 0.00 -1.54 0.00 0.00 41.25 40.52 1rax s ASN 39 CO 0.00 -1.60 0.00 0.61 -3.04 0.00 0.00 177.10 173.07 1rax n GLY 40 N -0.55 0.58 4.98 1.21 0.00 -1.26 -4.80 105.19 105.35 1rax n GLY 40 Ca -0.06 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1rax n GLY 40 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rax n ASN 41 N 2.17 0.00 -2.08 1.61 4.05 -1.26 -4.90 115.26 114.85 1rax n ASN 41 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1rax n ASN 41 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1rax n ASN 41 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 177.26 175.36 1rax n MET 42 N 0.00 -5.28 -3.06 1.20 0.00 -1.26 -2.88 117.12 105.83 1rax n MET 42 Ca 0.00 3.78 -0.41 0.00 0.00 0.00 0.00 57.70 61.07 1rax n MET 42 Cb 0.00 -4.21 -0.06 0.00 0.00 0.00 0.00 33.22 28.95 1rax n MET 42 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1rax s TYR 43 N -0.51 3.26 0.19 3.17 2.02 -1.26 -4.00 117.35 120.22 1rax s TYR 43 Ca 0.00 0.80 0.05 0.00 -0.37 0.00 0.00 57.07 57.54 1rax s TYR 43 Cb 0.00 -2.95 -0.03 0.00 -0.40 0.00 0.00 41.96 38.57 1rax s TYR 43 CO 0.00 -0.40 0.24 0.15 -1.57 0.00 0.00 175.55 173.97 1rax s LYS 44 N 2.63 3.19 -0.03 -0.62 -0.14 -0.42 -4.94 119.74 119.42 1rax s LYS 44 Ca 0.28 -0.80 0.05 0.00 -1.36 0.00 0.00 55.97 54.14 1rax s LYS 44 Cb -0.15 -2.78 -0.01 0.00 -1.68 0.00 0.00 37.83 33.21 1rax s LYS 44 CO 0.10 0.47 -0.17 0.45 -0.76 0.00 0.00 175.35 175.43 1rax s SER 45 N -3.49 2.05 0.10 2.83 0.15 -1.26 -0.37 113.70 113.72 1rax s SER 45 Ca 0.33 -0.32 -0.17 0.00 0.70 0.00 0.00 55.95 56.49 1rax s SER 45 Cb -0.10 -0.37 0.04 0.00 -1.71 0.00 0.00 66.02 63.88 1rax s SER 45 CO 0.27 0.18 0.42 0.27 1.20 0.00 0.00 173.24 175.58 1rax s ILE 46 N -0.21 0.06 -0.13 6.45 -4.36 -0.92 -5.02 121.20 117.08 1rax s ILE 46 Ca 0.02 -0.50 -0.05 0.00 -0.26 0.00 0.00 60.65 59.86 1rax s ILE 46 Cb -0.09 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.49 1rax s ILE 46 CO 0.00 -0.28 0.04 -0.22 0.24 0.00 0.00 174.94 174.73 1rax s LEU 47 N -2.58 3.78 -0.08 0.37 0.20 -1.26 -1.04 118.68 118.08 1rax s LEU 47 Ca 0.01 0.17 0.05 0.00 0.69 0.00 0.00 54.13 55.05 1rax s LEU 47 Cb 0.01 -1.91 -0.01 0.00 -0.43 0.00 0.00 46.19 43.86 1rax s LEU 47 CO -0.09 0.31 -0.24 0.54 -0.29 0.00 0.00 176.35 176.57 1rax s VAL 48 N -0.46 2.04 -0.10 1.68 0.11 0.41 -4.97 120.40 119.12 1rax s VAL 48 Ca 0.09 -1.04 -0.02 0.00 -2.93 0.00 0.00 61.98 58.09 1rax s VAL 48 Cb -0.12 -1.74 -0.03 0.00 -1.53 0.00 0.00 36.38 32.96 1rax s VAL 48 CO 0.02 0.56 -0.03 0.42 -3.33 0.00 0.00 175.10 172.75 1rax s THR 49 N 0.06 4.06 0.00 5.04 -4.23 -1.26 -1.19 115.64 118.12 1rax s THR 49 Ca -0.10 -0.33 -0.00 0.00 -1.18 0.00 0.00 61.69 60.07 1rax s THR 49 Cb -0.16 -2.71 -0.00 0.00 1.34 0.00 0.00 72.50 70.97 1rax s THR 49 CO 0.06 0.58 0.04 -1.54 -0.54 0.00 0.00 174.62 173.21 1rax n SER 50 N 2.49 -0.02 0.00 3.99 3.41 -0.72 0.66 113.62 123.44 1rax n SER 50 Ca -0.18 0.04 0.10 0.00 -0.26 0.00 0.00 58.87 58.57 1rax n SER 50 Cb 0.53 -0.01 0.48 0.00 -0.26 0.00 0.00 64.21 64.95 1rax n SER 50 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1rax n GLN 51 N -3.15 0.21 -1.02 4.33 -0.06 -1.26 -3.90 117.38 112.53 1rax n GLN 51 Ca 0.00 0.12 -0.33 0.00 -2.00 0.00 0.00 57.00 54.79 1rax n GLN 51 Cb 0.00 -1.50 0.02 0.00 -4.06 0.00 0.00 30.24 24.70 1rax n GLN 51 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1rax n ASP 52 N -1.34 -3.91 -4.27 1.69 5.68 0.21 -4.78 116.55 109.82 1rax n ASP 52 Ca 0.08 0.43 -0.18 0.00 -0.50 0.00 0.00 54.79 54.63 1rax n ASP 52 Cb 0.18 -0.72 -0.11 0.00 -1.14 0.00 0.00 41.12 39.33 1rax n ASP 52 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 1rax s LYS 53 N -1.17 1.10 0.18 0.11 -2.85 -1.26 -3.78 119.74 112.06 1rax s LYS 53 Ca 0.45 -1.34 -0.27 0.00 -1.00 0.00 0.00 55.97 53.81 1rax s LYS 53 Cb -0.34 -0.94 0.02 0.00 -2.06 0.00 0.00 37.83 34.51 1rax s LYS 53 CO 0.63 0.17 1.55 0.00 0.10 0.00 0.00 175.35 177.80 1rax h ALA 54 N 3.23 -0.36 0.00 0.59 0.00 -1.71 -0.22 119.26 120.78 1rax h ALA 54 Ca -0.39 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1rax h ALA 54 Cb 1.20 1.18 0.00 0.00 0.00 0.00 0.00 17.79 20.17 1rax h ALA 54 CO 0.54 -0.87 0.00 -0.35 0.00 0.00 0.00 179.25 178.58 1rax n PRO 55 N -5.35 0.04 -0.08 0.00 -0.04 -1.26 -2.01 135.00 126.31 1rax n PRO 55 Ca 0.03 0.35 -0.15 0.00 -0.04 0.00 0.00 63.50 63.70 1rax n PRO 55 Cb 0.32 -1.59 -0.11 0.00 -0.04 0.00 0.00 33.50 32.08 1rax n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rax h ALA 56 N 2.34 0.09 -0.41 0.55 0.00 -1.45 -2.68 119.26 117.69 1rax h ALA 56 Ca 0.00 -0.68 0.12 0.00 0.00 0.00 0.00 54.91 54.35 1rax h ALA 56 Cb 0.21 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1rax h ALA 56 CO 0.00 0.25 0.34 0.28 0.00 0.00 0.00 179.25 180.13 1rax h VAL 57 N -1.00 0.62 0.07 0.00 2.07 -0.96 0.44 116.25 117.49 1rax h VAL 57 Ca -0.11 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.16 1rax h VAL 57 Cb 0.97 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1rax h VAL 57 CO -0.07 0.00 -1.10 0.40 0.02 0.00 0.00 177.57 176.82 1rax h ILE 58 N 0.00 1.47 -0.67 4.57 2.04 -1.49 -2.05 117.51 121.37 1rax h ILE 58 Ca 0.20 -2.81 -0.01 0.00 1.00 0.00 0.00 64.86 63.23 1rax h ILE 58 Cb 0.88 2.72 -0.03 0.00 -0.74 0.00 0.00 36.82 39.64 1rax h ILE 58 CO -0.00 0.83 0.36 -0.09 0.00 0.00 0.00 178.15 179.25 1rax h ARG 59 N 0.13 0.92 0.07 2.37 2.43 -0.56 0.27 114.38 120.01 1rax h ARG 59 Ca -0.11 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1rax h ARG 59 Cb 1.79 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1rax h ARG 59 CO 0.18 0.68 -0.04 -0.22 -1.51 0.00 0.00 179.97 179.07 1rax h LYS 60 N 0.93 -0.10 -0.42 0.20 3.64 -1.44 -2.23 116.57 117.15 1rax h LYS 60 Ca 0.24 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1rax h LYS 60 Cb 0.03 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1rax h LYS 60 CO -0.04 0.45 0.28 0.00 -2.27 0.00 0.00 179.45 177.87 1rax h ALA 61 N 0.05 1.82 0.09 5.00 0.00 -1.25 -1.91 119.26 123.05 1rax h ALA 61 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1rax h ALA 61 Cb 0.59 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1rax h ALA 61 CO 0.02 0.14 -0.04 0.52 0.00 0.00 0.00 179.25 179.88 1rax h MET 62 N 0.46 -0.11 -1.06 0.00 2.86 -0.51 -2.34 114.93 114.23 1rax h MET 62 Ca 0.17 0.01 0.28 0.00 -2.06 0.00 0.00 59.70 58.09 1rax h MET 62 Cb 0.10 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 31.68 1rax h MET 62 CO -0.04 0.42 0.68 0.22 1.06 0.00 0.00 176.91 179.25 1rax h ASP 63 N -0.84 0.44 -0.44 1.22 1.82 -1.28 0.30 116.42 117.65 1rax h ASP 63 Ca -0.01 0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 1rax h ASP 63 Cb 0.59 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.60 1rax h ASP 63 CO 0.02 0.07 0.11 0.11 -1.61 0.00 0.00 179.24 177.94 1rax h LYS 64 N 0.38 0.70 -0.14 0.28 6.56 -1.29 -3.05 116.57 120.01 1rax h LYS 64 Ca 0.61 -0.16 0.00 0.00 -1.06 0.00 0.00 60.65 60.04 1rax h LYS 64 Cb 1.57 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 33.14 1rax h LYS 64 CO -0.31 0.70 0.00 0.72 -2.06 0.00 0.00 179.45 178.49 1rax n HIS 65 N -4.53 0.17 -3.48 -1.35 8.25 0.25 -4.98 115.22 109.56 1rax n HIS 65 Ca 0.00 -0.08 -0.23 0.00 -0.26 0.00 0.00 57.72 57.15 1rax n HIS 65 Cb 0.21 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.37 1rax n HIS 65 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1rax n ASN 66 N 0.56 -6.00 -2.26 0.41 4.13 0.81 -4.93 115.26 107.99 1rax n ASN 66 Ca 0.17 -0.84 -0.26 0.00 1.68 0.00 0.00 54.58 55.33 1rax n ASN 66 Cb 0.41 -4.18 0.01 0.00 -1.54 0.00 0.00 39.78 34.48 1rax n ASN 66 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1rax n LEU 67 N -3.64 4.93 0.15 3.41 4.77 -1.12 -4.78 117.00 120.73 1rax n LEU 67 Ca -0.08 -4.96 0.11 0.00 -0.03 0.00 0.00 56.01 51.05 1rax n LEU 67 Cb 0.60 -0.42 0.55 0.00 -2.33 0.00 0.00 43.42 41.82 1rax n LEU 67 CO 0.63 2.15 0.83 -0.62 -1.33 0.00 0.00 177.39 179.05 1rax n GLU 68 N -0.60 0.15 -0.46 3.23 -0.58 -1.26 -2.81 120.64 118.30 1rax n GLU 68 Ca 0.42 0.58 0.39 0.00 -0.42 0.00 0.00 57.16 58.13 1rax n GLU 68 Cb 0.81 -1.93 0.66 0.00 -0.57 0.00 0.00 31.44 30.41 1rax n GLU 68 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1rax n GLU 69 N -2.24 -0.04 -4.16 3.49 0.28 -1.26 -4.64 120.64 112.07 1rax n GLU 69 Ca -0.00 1.24 -0.15 0.00 -0.16 0.00 0.00 57.16 58.08 1rax n GLU 69 Cb 0.09 -2.43 -0.07 0.00 1.43 0.00 0.00 31.44 30.46 1rax n GLU 69 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1rax s GLU 70 N -5.23 1.71 0.72 3.44 2.02 -1.12 -5.19 118.70 115.05 1rax s GLU 70 Ca -0.07 -1.78 -0.02 0.00 0.02 0.00 0.00 54.97 53.12 1rax s GLU 70 Cb 0.31 0.38 0.12 0.00 0.10 0.00 0.00 34.13 35.03 1rax s GLU 70 CO 0.80 -0.67 1.00 -1.21 0.02 0.00 0.00 175.26 175.20 1rax s GLU 71 N -3.45 1.72 0.24 1.61 2.02 -1.26 -4.97 118.70 114.61 1rax s GLU 71 Ca 0.35 -0.99 0.03 0.00 0.02 0.00 0.00 54.97 54.38 1rax s GLU 71 Cb 0.02 -2.30 0.27 0.00 0.10 0.00 0.00 34.13 32.22 1rax s GLU 71 CO 0.20 -1.43 1.59 -1.00 0.02 0.00 0.00 175.26 174.64 1rax h PRO 72 N -0.55 0.32 -0.81 0.39 0.13 -1.93 -3.06 132.00 126.49 1rax h PRO 72 Ca -0.38 -0.19 0.24 0.00 -0.87 0.00 0.00 66.00 64.79 1rax h PRO 72 Cb 1.27 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1rax h PRO 72 CO 0.42 0.77 0.73 1.05 -0.23 0.00 0.00 178.00 180.74 1rax h GLU 73 N 0.25 0.00 -1.00 0.86 -0.00 -1.95 -0.50 114.58 112.23 1rax h GLU 73 Ca 0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 59.36 58.96 1rax h GLU 73 Cb 1.02 0.00 -0.24 0.00 -0.00 0.00 0.00 28.75 29.53 1rax h GLU 73 CO 0.09 0.00 0.51 -3.47 -0.00 0.00 0.00 179.01 176.14 1rax n ASP 74 N -3.83 3.64 -3.74 3.06 -0.08 -1.16 -4.88 116.55 109.57 1rax n ASP 74 Ca 0.17 -3.25 -0.12 0.00 -1.51 0.00 0.00 54.79 50.08 1rax n ASP 74 Cb 1.01 -0.77 -0.12 0.00 2.34 0.00 0.00 41.12 43.59 1rax n ASP 74 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1rax s TYR 75 N -2.56 -0.39 0.01 -0.67 2.02 -0.20 -1.53 117.35 114.03 1rax s TYR 75 Ca 0.44 0.92 0.04 0.00 -0.37 0.00 0.00 57.07 58.10 1rax s TYR 75 Cb 0.37 0.13 -0.03 0.00 -0.40 0.00 0.00 41.96 42.03 1rax s TYR 75 CO 0.08 -0.23 -0.10 -1.83 -1.57 0.00 0.00 175.55 171.90 1rax s GLU 76 N 0.81 2.41 -0.09 -0.62 1.03 -0.00 -4.96 118.70 117.28 1rax s GLU 76 Ca -0.05 -0.79 0.00 0.00 0.03 0.00 0.00 54.97 54.16 1rax s GLU 76 Cb -0.06 -2.40 -0.03 0.00 -0.80 0.00 0.00 34.13 30.84 1rax s GLU 76 CO -0.06 0.59 -0.09 -1.17 -1.33 0.00 0.00 175.26 173.20 1rax s LEU 77 N -1.37 3.01 0.03 1.83 2.96 -1.26 -1.73 118.68 122.16 1rax s LEU 77 Ca 0.16 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 1rax s LEU 77 Cb -0.11 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 1rax s LEU 77 CO 0.06 0.28 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.44 1rax s LEU 78 N -0.34 2.15 -0.11 -0.68 2.01 0.01 -0.91 118.68 120.81 1rax s LEU 78 Ca 0.04 -0.47 -0.03 0.00 0.01 0.00 0.00 54.13 53.68 1rax s LEU 78 Cb -0.13 -0.83 -0.03 0.00 0.01 0.00 0.00 46.19 45.21 1rax s LEU 78 CO 0.02 0.12 0.02 -1.58 1.01 0.00 0.00 176.35 175.95 1rax s GLN 79 N -1.06 3.27 -0.20 1.70 0.74 0.36 -0.42 119.66 124.05 1rax s GLN 79 Ca 0.05 -0.38 -0.06 0.00 0.05 0.00 0.00 55.36 55.01 1rax s GLN 79 Cb -0.08 -2.91 -0.03 0.00 1.10 0.00 0.00 33.01 31.08 1rax s GLN 79 CO 0.01 0.58 0.04 0.42 -0.55 0.00 0.00 175.29 175.80 1rax s ILE 80 N -0.54 4.39 0.00 -2.34 1.01 -0.06 -0.51 121.20 123.15 1rax s ILE 80 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.58 1rax s ILE 80 Cb -0.12 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1rax s ILE 80 CO 0.02 0.42 0.00 0.18 0.00 0.00 0.00 174.94 175.57 1rax n LEU 81 N 4.04 0.00 -5.02 2.97 7.99 -0.54 -4.16 117.00 122.28 1rax n LEU 81 Ca -0.17 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.64 1rax n LEU 81 Cb 0.52 -0.10 0.06 0.00 -0.11 0.00 0.00 43.42 43.79 1rax n LEU 81 CO 0.33 -0.15 0.34 -0.55 -1.51 0.00 0.00 177.39 175.86 1rax s SER 82 N -1.49 5.10 0.00 -1.43 0.15 -1.22 -4.62 113.70 110.20 1rax s SER 82 Ca 0.00 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1rax s SER 82 Cb 0.00 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1rax s SER 82 CO 0.00 -1.29 0.47 0.47 1.20 0.00 0.00 173.24 174.09 1rax n ASP 83 N -2.27 0.00 -0.81 5.45 8.00 -1.26 -1.90 116.55 123.76 1rax n ASP 83 Ca 0.13 0.47 0.07 0.00 0.71 0.00 0.00 54.79 56.18 1rax n ASP 83 Cb 0.61 -0.23 0.20 0.00 -0.02 0.00 0.00 41.12 41.68 1rax n ASP 83 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1rax n ASP 84 N -2.36 3.30 -4.59 -2.24 9.92 -1.26 -4.95 116.55 114.38 1rax n ASP 84 Ca 0.00 -2.20 -0.42 0.00 -0.53 0.00 0.00 54.79 51.64 1rax n ASP 84 Cb 0.00 -0.33 -0.06 0.00 -0.64 0.00 0.00 41.12 40.09 1rax n ASP 84 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1rax s ARG 85 N -1.37 3.79 -0.02 -1.24 0.52 -0.80 -5.03 118.95 114.80 1rax s ARG 85 Ca 0.30 0.22 0.04 0.00 -0.52 0.00 0.00 55.73 55.77 1rax s ARG 85 Cb 0.18 -3.77 -0.00 0.00 0.52 0.00 0.00 34.95 31.87 1rax s ARG 85 CO 0.17 -0.69 -0.13 0.15 0.02 0.00 0.00 175.30 174.81 1rax s LYS 86 N 2.75 1.24 0.28 3.54 1.02 -1.26 -1.47 119.74 125.84 1rax s LYS 86 Ca 0.26 -0.47 0.11 0.00 0.02 0.00 0.00 55.97 55.89 1rax s LYS 86 Cb -0.14 -1.15 -0.05 0.00 -0.52 0.00 0.00 37.83 35.97 1rax s LYS 86 CO 0.14 0.23 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.18 1rax s LEU 87 N -0.07 2.87 0.02 3.17 1.43 0.33 -4.95 118.68 121.48 1rax s LEU 87 Ca 0.00 -0.86 0.02 0.00 -1.03 0.00 0.00 54.13 52.26 1rax s LEU 87 Cb -0.08 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1rax s LEU 87 CO 0.00 0.01 0.01 -0.75 0.23 0.00 0.00 176.35 175.86 1rax s LYS 88 N -3.59 2.78 -0.08 1.70 2.20 -1.26 -0.49 119.74 120.99 1rax s LYS 88 Ca 0.31 -0.64 0.01 0.00 -0.36 0.00 0.00 55.97 55.29 1rax s LYS 88 Cb -0.05 -2.67 -0.02 0.00 -1.51 0.00 0.00 37.83 33.57 1rax s LYS 88 CO 0.17 0.61 -0.12 0.42 -0.36 0.00 0.00 175.35 176.08 1rax s ILE 89 N -1.15 3.25 1.19 5.43 1.01 -0.09 -4.85 121.20 125.98 1rax s ILE 89 Ca 0.22 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 60.08 1rax s ILE 89 Cb -0.12 -2.32 0.28 0.00 0.01 0.00 0.00 42.46 40.31 1rax s ILE 89 CO 0.13 0.57 1.04 -2.16 0.00 0.00 0.00 174.94 174.51 1rax s PRO 90 N -0.35 -1.11 0.12 2.79 0.04 -1.26 -4.55 135.00 130.68 1rax s PRO 90 Ca 0.04 0.45 0.24 0.00 0.04 0.00 0.00 61.00 61.77 1rax s PRO 90 Cb -0.12 -1.56 0.27 0.00 0.04 0.00 0.00 34.50 33.12 1rax s PRO 90 CO 0.02 -3.75 1.25 0.93 0.04 0.00 0.00 177.00 175.50 1rax h GLU 91 N -2.62 0.00 0.00 4.56 5.08 -1.99 -3.38 114.58 116.23 1rax h GLU 91 Ca -0.54 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.76 1rax h GLU 91 Cb 1.33 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.49 1rax h GLU 91 CO 0.46 0.00 -0.32 -1.71 -1.00 0.00 0.00 179.01 176.44 1rax n ASN 92 N -2.14 -0.14 -4.77 1.42 4.05 -1.26 -3.16 115.26 109.26 1rax n ASN 92 Ca 0.03 -1.61 -0.38 0.00 0.45 0.00 0.00 54.58 53.06 1rax n ASN 92 Cb 0.45 0.01 -0.06 0.00 1.23 0.00 0.00 39.78 41.41 1rax n ASN 92 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1rax s ALA 93 N 0.00 3.52 -0.81 5.20 0.00 -1.26 -4.90 121.76 123.51 1rax s ALA 93 Ca 0.05 -0.06 -0.33 0.00 0.00 0.00 0.00 51.96 51.62 1rax s ALA 93 Cb 0.05 -2.65 -0.19 0.00 0.00 0.00 0.00 23.12 20.33 1rax s ALA 93 CO -0.02 0.19 2.54 0.09 0.00 0.00 0.00 175.76 178.56 1rax n ASN 94 N 2.74 0.75 -0.20 0.00 3.02 -1.25 -4.44 115.26 115.87 1rax n ASN 94 Ca -0.08 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1rax n ASN 94 Cb 0.51 -1.03 0.08 0.00 -0.61 0.00 0.00 39.78 38.74 1rax n ASN 94 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1rax h VAL 95 N 7.75 0.45 -1.21 2.41 2.07 -1.68 0.45 116.25 126.50 1rax h VAL 95 Ca -0.10 -0.02 0.35 0.00 0.82 0.00 0.00 66.70 67.75 1rax h VAL 95 Cb 1.32 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1rax h VAL 95 CO 1.29 0.01 0.87 0.15 0.02 0.00 0.00 177.57 179.91 1rax h PHE 96 N 0.06 0.00 -0.08 1.57 3.57 -1.84 -0.56 116.94 119.66 1rax h PHE 96 Ca 0.31 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1rax h PHE 96 Cb 0.49 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1rax h PHE 96 CO -0.42 0.00 0.00 0.66 -2.23 0.00 0.00 178.31 176.32 1rax n TYR 97 N -4.16 0.10 0.05 0.41 4.01 0.11 -4.66 117.16 113.02 1rax n TYR 97 Ca 0.26 -0.11 0.07 0.00 -0.16 0.00 0.00 57.90 57.96 1rax n TYR 97 Cb 1.27 -0.01 0.15 0.00 -0.31 0.00 0.00 39.34 40.45 1rax n TYR 97 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rax n ALA 98 N 0.54 2.31 -3.19 -0.72 0.00 0.12 -4.94 120.51 114.63 1rax n ALA 98 Ca 0.07 -0.99 -0.27 0.00 0.00 0.00 0.00 53.44 52.24 1rax n ALA 98 Cb 0.29 -0.54 -0.16 0.00 0.00 0.00 0.00 19.45 19.04 1rax n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rax s MET 99 N -1.07 2.09 -0.55 0.00 0.00 -1.22 -4.88 119.30 113.68 1rax s MET 99 Ca 0.25 -0.61 -0.33 0.00 0.00 0.00 0.00 55.69 55.01 1rax s MET 99 Cb 0.14 -1.70 -0.16 0.00 0.00 0.00 0.00 34.83 33.11 1rax s MET 99 CO 0.20 0.15 1.91 0.09 0.00 0.00 0.00 175.02 177.37 1rax n ASN 100 N 3.49 0.49 -0.12 -1.18 5.03 -1.26 -4.81 115.26 116.90 1rax n ASN 100 Ca -0.20 0.42 -0.13 0.00 0.87 0.00 0.00 54.58 55.54 1rax n ASN 100 Cb 0.52 -0.75 -0.02 0.00 -1.02 0.00 0.00 39.78 38.52 1rax n ASN 100 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 1rax h SER 101 N 8.23 1.00 0.00 6.41 0.87 -1.94 -2.72 113.55 125.39 1rax h SER 101 Ca -0.07 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 1rax h SER 101 Cb 1.14 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1rax h SER 101 CO 0.98 1.26 0.00 1.07 -0.53 0.00 0.00 176.83 179.61 1rax n THR 102 N -4.05 0.00 0.00 2.23 5.66 -1.26 -4.60 114.28 112.26 1rax n THR 102 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1rax n THR 102 Cb 0.55 -0.16 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 1rax n THR 102 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rax n ALA 103 N -0.58 0.00 -3.09 1.79 0.00 -1.02 -5.13 120.51 112.48 1rax n ALA 103 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 1rax n ALA 103 Cb 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 1rax n ALA 103 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1rax s ASN 104 N -0.35 -0.08 -0.93 0.00 2.47 -1.25 -5.05 114.94 109.75 1rax s ASN 104 Ca 0.00 -0.87 -0.01 0.00 0.42 0.00 0.00 52.86 52.39 1rax s ASN 104 Cb 0.00 0.55 0.34 0.00 -1.45 0.00 0.00 41.25 40.69 1rax s ASN 104 CO 0.00 -1.08 1.93 -1.22 -3.72 0.00 0.00 177.10 173.01 1rax n TYR 105 N -0.34 2.89 -4.73 0.43 4.02 -1.26 -4.75 117.16 113.41 1rax n TYR 105 Ca -0.04 -2.44 -0.28 0.00 -0.01 0.00 0.00 57.90 55.13 1rax n TYR 105 Cb 0.62 -1.18 -0.14 0.00 -0.02 0.00 0.00 39.34 38.62 1rax n TYR 105 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1rax s ASP 106 N -1.23 2.83 -0.07 7.72 1.11 -1.26 -1.62 116.67 124.16 1rax s ASP 106 Ca 0.46 -0.57 -0.07 0.00 0.18 0.00 0.00 52.55 52.55 1rax s ASP 106 Cb 0.33 -0.24 0.02 0.00 1.07 0.00 0.00 42.92 44.09 1rax s ASP 106 CO -0.29 0.20 0.20 -0.36 1.18 0.00 0.00 175.17 176.11 1rax s PHE 107 N -0.83 -0.20 -0.08 4.23 0.40 0.17 -0.88 117.98 120.80 1rax s PHE 107 Ca 0.10 0.48 0.03 0.00 -0.60 0.00 0.00 56.93 56.94 1rax s PHE 107 Cb -0.09 0.07 -0.02 0.00 0.51 0.00 0.00 43.02 43.48 1rax s PHE 107 CO 0.02 -0.13 -0.18 0.08 0.70 0.00 0.00 175.22 175.71 1rax s VAL 108 N -0.06 2.70 -0.35 -0.44 1.01 0.44 -1.44 120.40 122.25 1rax s VAL 108 Ca -0.02 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 1rax s VAL 108 Cb -0.02 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.36 1rax s VAL 108 CO 0.00 0.56 0.12 -0.22 0.00 0.00 0.00 175.10 175.57 1rax s LEU 109 N -0.22 4.46 0.07 3.92 2.96 0.07 -0.81 118.68 129.13 1rax s LEU 109 Ca -0.00 -1.32 0.06 0.00 -0.22 0.00 0.00 54.13 52.65 1rax s LEU 109 Cb -0.13 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1rax s LEU 109 CO 0.03 -0.37 -0.09 -0.75 -1.32 0.00 0.00 176.35 173.85 1rax s LYS 110 N 1.35 2.28 0.22 1.98 2.20 -0.70 -1.07 119.74 125.99 1rax s LYS 110 Ca -0.01 -0.92 -0.11 0.00 -0.36 0.00 0.00 55.97 54.58 1rax s LYS 110 Cb -0.20 -2.37 -0.07 0.00 -1.51 0.00 0.00 37.83 33.68 1rax s LYS 110 CO 0.01 0.54 0.56 0.21 -0.36 0.00 0.00 175.35 176.31 1rax s LYS 111 N -1.89 3.84 -0.30 4.03 2.20 -1.26 -0.82 119.74 125.54 1rax s LYS 111 Ca 0.20 0.34 -0.02 0.00 -0.36 0.00 0.00 55.97 56.12 1rax s LYS 111 Cb -0.11 -2.68 0.11 0.00 -1.51 0.00 0.00 37.83 33.64 1rax s LYS 111 CO 0.11 0.33 2.38 -2.13 -0.36 0.00 0.00 175.35 175.69 1rax n ARG 112 N 0.00 1.92 -0.99 4.03 0.63 -0.58 -4.88 116.66 116.78 1rax n ARG 112 Ca -0.00 -1.59 -0.30 0.00 -0.92 0.00 0.00 57.85 55.04 1rax n ARG 112 Cb 0.52 -1.74 0.17 0.00 0.45 0.00 0.00 32.46 31.86 1rax n ARG 112 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1rax s THR 113 N -1.76 2.41 -0.23 5.15 -1.32 -1.26 -4.58 115.64 114.04 1rax s THR 113 Ca 0.39 0.13 -0.02 0.00 -1.21 0.00 0.00 61.69 60.99 1rax s THR 113 Cb 0.27 -2.46 0.01 0.00 -1.51 0.00 0.00 72.50 68.80 1rax s THR 113 CO -0.07 -0.18 0.03 0.49 -2.21 0.00 0.00 174.62 172.69 1rax n PHE 114 N -4.17 -3.29 0.00 9.09 3.01 -1.26 -5.23 117.46 115.62 1rax n PHE 114 Ca 0.07 1.54 0.00 0.00 1.01 0.00 0.00 57.45 60.06 1rax n PHE 114 Cb 0.55 -3.42 0.00 0.00 -0.01 0.00 0.00 39.48 36.60 1rax n PHE 114 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40