#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rax n GLN 24 N 0.00 -2.64 -2.49 -1.09 1.13 -1.26 -4.71 117.38 106.33 1rax n GLN 24 Ca 0.00 1.94 -0.41 0.00 -1.94 0.00 0.00 57.00 56.58 1rax n GLN 24 Cb 0.00 -3.16 -0.04 0.00 0.11 0.00 0.00 30.24 27.16 1rax n GLN 24 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1rax s VAL 25 N -2.91 3.92 0.00 5.09 1.01 -1.26 -4.77 120.40 121.47 1rax s VAL 25 Ca 0.00 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1rax s VAL 25 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1rax s VAL 25 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1rax n GLY 26 N 2.36 3.14 0.00 4.51 0.00 -1.26 -4.78 105.19 109.15 1rax n GLY 26 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1rax n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rax n ASP 27 N 2.43 0.00 -3.73 1.61 -0.08 -1.26 -4.74 116.55 110.78 1rax n ASP 27 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 1rax n ASP 27 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1rax n ASP 27 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rax s ILE 30 N -3.27 5.12 0.19 0.00 1.01 -1.26 -0.50 121.20 122.49 1rax s ILE 30 Ca -0.00 0.09 0.08 0.00 0.00 0.00 0.00 60.65 60.82 1rax s ILE 30 Cb 0.01 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1rax s ILE 30 CO -0.08 0.39 -0.02 0.27 0.00 0.00 0.00 174.94 175.50 1rax s ILE 31 N 0.83 3.57 -0.18 2.92 -4.36 0.06 -4.92 121.20 119.12 1rax s ILE 31 Ca 0.06 -1.54 -0.07 0.00 -0.26 0.00 0.00 60.65 58.84 1rax s ILE 31 Cb -0.13 -2.81 -0.04 0.00 1.25 0.00 0.00 42.46 40.74 1rax s ILE 31 CO 0.02 -0.15 0.04 -0.60 0.24 0.00 0.00 174.94 174.50 1rax s ARG 32 N -3.02 3.91 -0.17 0.37 3.52 -0.37 -1.50 118.95 121.70 1rax s ARG 32 Ca 0.27 -0.38 -0.00 0.00 -0.13 0.00 0.00 55.73 55.49 1rax s ARG 32 Cb -0.09 -3.16 0.04 0.00 -1.56 0.00 0.00 34.95 30.18 1rax s ARG 32 CO 0.18 0.25 -0.07 0.08 -0.81 0.00 0.00 175.30 174.94 1rax s VAL 33 N 0.40 1.24 0.23 7.11 1.01 0.62 0.32 120.40 131.34 1rax s VAL 33 Ca 0.02 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.37 1rax s VAL 33 Cb -0.13 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1rax s VAL 33 CO 0.01 0.17 0.19 -0.94 0.00 0.00 0.00 175.10 174.52 1rax s SER 34 N 1.58 5.56 0.53 3.32 1.04 -0.28 -1.20 113.70 124.25 1rax s SER 34 Ca 0.01 -0.20 -0.02 0.00 0.48 0.00 0.00 55.95 56.21 1rax s SER 34 Cb -0.15 -1.44 0.01 0.00 0.10 0.00 0.00 66.02 64.54 1rax s SER 34 CO -0.08 -0.01 0.80 -0.76 0.98 0.00 0.00 173.24 174.16 1rax s LEU 35 N -3.65 3.38 -0.70 2.42 1.02 -1.26 -0.83 118.68 119.05 1rax s LEU 35 Ca 0.32 0.42 -0.21 0.00 0.02 0.00 0.00 54.13 54.68 1rax s LEU 35 Cb -0.08 -3.26 -0.17 0.00 0.02 0.00 0.00 46.19 42.70 1rax s LEU 35 CO 0.25 -0.96 1.90 -0.90 0.02 0.00 0.00 176.35 176.65 1rax n ASP 36 N -2.36 2.54 0.00 2.29 5.68 -0.86 -4.55 116.55 119.30 1rax n ASP 36 Ca 0.04 -2.62 0.00 0.00 -0.50 0.00 0.00 54.79 51.70 1rax n ASP 36 Cb 0.58 -1.05 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 1rax n ASP 36 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1rax n VAL 37 N 5.93 0.00 0.00 2.12 0.31 -1.26 -5.02 118.33 120.41 1rax n VAL 37 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1rax n VAL 37 Cb 0.38 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 1rax n VAL 37 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1rax n ASP 38 N -1.08 0.00 -4.90 4.52 8.00 -1.26 -5.15 116.55 116.68 1rax n ASP 38 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 1rax n ASP 38 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.16 1rax n ASP 38 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1rax s ASN 39 N -1.33 4.97 0.59 -2.24 -0.87 -1.26 -5.06 114.94 109.74 1rax s ASN 39 Ca 0.00 -0.44 -0.18 0.00 -1.57 0.00 0.00 52.86 50.68 1rax s ASN 39 Cb 0.00 -0.21 -0.10 0.00 -0.02 0.00 0.00 41.25 40.92 1rax s ASN 39 CO 0.00 -1.39 0.24 0.61 -2.57 0.00 0.00 177.10 173.99 1rax n GLY 40 N -2.40 -2.25 0.00 0.66 0.00 -1.26 -4.98 105.19 94.96 1rax n GLY 40 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 1.21 0.22 -4.39 1.61 5.15 -1.26 -5.04 115.26 112.76 1rax n ASN 41 Ca 0.09 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.63 1rax n ASN 41 Cb 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 1rax n ASN 41 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1rax n MET 42 N 0.00 3.44 -1.91 1.20 2.81 -1.26 -4.99 117.12 116.42 1rax n MET 42 Ca 0.00 -3.95 -0.42 0.00 -1.81 0.00 0.00 57.70 51.51 1rax n MET 42 Cb 0.00 -2.93 -0.03 0.00 -0.71 0.00 0.00 33.22 29.55 1rax n MET 42 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1rax s TYR 43 N 0.86 1.74 0.31 2.03 2.02 -1.26 -4.74 117.35 118.31 1rax s TYR 43 Ca 0.40 0.20 0.05 0.00 -0.37 0.00 0.00 57.07 57.35 1rax s TYR 43 Cb -0.03 -4.02 -0.02 0.00 -0.40 0.00 0.00 41.96 37.50 1rax s TYR 43 CO -0.01 -4.00 0.45 0.15 -1.57 0.00 0.00 175.55 170.57 1rax s LYS 44 N 4.66 3.26 0.01 -0.62 3.01 -0.34 -4.91 119.74 124.80 1rax s LYS 44 Ca 0.80 -0.85 0.02 0.00 -1.01 0.00 0.00 55.97 54.94 1rax s LYS 44 Cb -0.33 -2.82 -0.01 0.00 -1.01 0.00 0.00 37.83 33.66 1rax s LYS 44 CO 0.33 0.19 -0.07 0.45 0.51 0.00 0.00 175.35 176.75 1rax s SER 45 N -4.10 0.83 0.10 2.83 0.15 -1.26 -0.27 113.70 111.98 1rax s SER 45 Ca 0.41 -0.22 -0.15 0.00 0.70 0.00 0.00 55.95 56.69 1rax s SER 45 Cb -0.09 -0.06 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 1rax s SER 45 CO 0.31 0.02 0.35 0.27 1.20 0.00 0.00 173.24 175.39 1rax s ILE 46 N -0.44 0.08 -0.06 6.45 -4.36 -0.56 -5.00 121.20 117.31 1rax s ILE 46 Ca -0.00 -0.67 -0.03 0.00 -0.26 0.00 0.00 60.65 59.68 1rax s ILE 46 Cb -0.04 -1.14 -0.04 0.00 1.25 0.00 0.00 42.46 42.49 1rax s ILE 46 CO -0.00 -0.37 0.09 -0.22 0.24 0.00 0.00 174.94 174.67 1rax s LEU 47 N -2.60 4.00 -0.03 0.37 0.20 -1.26 -0.76 118.68 118.61 1rax s LEU 47 Ca 0.01 0.27 0.07 0.00 0.69 0.00 0.00 54.13 55.16 1rax s LEU 47 Cb 0.02 -2.11 -0.01 0.00 -0.43 0.00 0.00 46.19 43.65 1rax s LEU 47 CO -0.09 0.34 -0.22 0.54 -0.29 0.00 0.00 176.35 176.63 1rax s VAL 48 N -1.07 1.77 0.13 1.68 0.11 0.35 -4.97 120.40 118.40 1rax s VAL 48 Ca 0.18 -0.94 0.09 0.00 -2.93 0.00 0.00 61.98 58.37 1rax s VAL 48 Cb -0.12 -1.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.22 1rax s VAL 48 CO 0.08 0.50 -0.15 0.42 -3.33 0.00 0.00 175.10 172.62 1rax s THR 49 N -0.42 2.98 0.05 5.04 -4.23 -1.26 -1.34 115.64 116.46 1rax s THR 49 Ca 0.06 -1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 59.01 1rax s THR 49 Cb -0.10 -2.40 0.06 0.00 1.34 0.00 0.00 72.50 71.41 1rax s THR 49 CO 0.00 0.04 0.33 -1.54 -0.54 0.00 0.00 174.62 172.91 1rax n SER 50 N 0.58 -0.12 -0.00 3.99 3.41 -0.69 0.42 113.62 121.21 1rax n SER 50 Ca -0.14 0.37 0.14 0.00 -0.26 0.00 0.00 58.87 58.98 1rax n SER 50 Cb 0.53 -0.09 0.63 0.00 -0.26 0.00 0.00 64.21 65.02 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 -4.32 0.09 -0.56 4.33 7.27 -1.26 -4.48 117.38 118.44 1rax n GLN 51 Ca 0.03 -0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.85 1rax n GLN 51 Cb 0.09 -1.50 -0.05 0.00 2.41 0.00 0.00 30.24 31.19 1rax n GLN 51 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1rax n ASP 52 N -1.45 0.29 -4.92 1.69 5.68 0.17 -4.77 116.55 113.23 1rax n ASP 52 Ca 0.08 0.25 -0.27 0.00 -0.50 0.00 0.00 54.79 54.35 1rax n ASP 52 Cb 0.32 -0.39 -0.03 0.00 -1.14 0.00 0.00 41.12 39.88 1rax n ASP 52 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1rax s LYS 53 N 2.84 3.54 0.16 0.11 1.02 -1.26 -1.38 119.74 124.77 1rax s LYS 53 Ca 0.53 -0.27 -0.26 0.00 0.02 0.00 0.00 55.97 55.98 1rax s LYS 53 Cb -0.63 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 1rax s LYS 53 CO 0.27 0.36 1.56 0.00 -0.92 0.00 0.00 175.35 176.62 1rax h ALA 54 N 1.91 -0.38 0.00 5.17 0.00 -1.66 -1.08 119.26 123.21 1rax h ALA 54 Ca -0.48 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1rax h ALA 54 Cb 1.19 0.99 0.00 0.00 0.00 0.00 0.00 17.79 19.97 1rax h ALA 54 CO 0.67 -0.86 0.00 -0.35 0.00 0.00 0.00 179.25 178.72 1rax n PRO 55 N -5.40 0.04 -0.08 0.00 -0.04 -1.25 -1.87 135.00 126.40 1rax n PRO 55 Ca 0.01 0.38 -0.14 0.00 -0.04 0.00 0.00 63.50 63.71 1rax n PRO 55 Cb 0.35 -1.59 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 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 2.28 0.10 -0.76 0.55 0.00 -1.58 -2.70 119.26 117.14 1rax h ALA 56 Ca 0.00 -0.69 0.16 0.00 0.00 0.00 0.00 54.91 54.37 1rax h ALA 56 Cb 0.17 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1rax h ALA 56 CO 0.00 0.31 0.51 0.28 0.00 0.00 0.00 179.25 180.35 1rax h VAL 57 N -1.00 0.77 -0.05 0.00 2.07 -1.02 -0.18 116.25 116.84 1rax h VAL 57 Ca -0.13 -0.13 -0.19 0.00 0.82 0.00 0.00 66.70 67.08 1rax h VAL 57 Cb 0.93 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1rax h VAL 57 CO -0.08 0.07 -0.78 0.40 0.02 0.00 0.00 177.57 177.20 1rax h ILE 58 N 0.37 1.40 -0.81 4.57 2.04 -1.48 -1.77 117.51 121.83 1rax h ILE 58 Ca 0.37 -2.25 -0.00 0.00 1.00 0.00 0.00 64.86 63.98 1rax h ILE 58 Cb 0.93 2.21 -0.04 0.00 -0.74 0.00 0.00 36.82 39.17 1rax h ILE 58 CO -0.11 0.67 0.50 -0.09 0.00 0.00 0.00 178.15 179.12 1rax h ARG 59 N 0.24 1.10 0.11 2.37 2.43 -0.69 0.12 114.38 120.06 1rax h ARG 59 Ca -0.04 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1rax h ARG 59 Cb 1.37 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1rax h ARG 59 CO 0.13 0.76 -0.05 -0.22 -1.51 0.00 0.00 179.97 179.08 1rax h LYS 60 N 1.12 -0.15 -0.42 0.20 1.63 -1.38 -2.33 116.57 115.24 1rax h LYS 60 Ca 0.29 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.12 1rax h LYS 60 Cb -0.06 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 1rax h LYS 60 CO -0.06 0.32 0.28 0.00 -3.45 0.00 0.00 179.45 176.55 1rax h ALA 61 N 0.04 1.76 0.15 5.00 0.00 -1.19 -1.91 119.26 123.11 1rax h ALA 61 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1rax h ALA 61 Cb 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rax h ALA 61 CO 0.03 0.21 -0.07 0.52 0.00 0.00 0.00 179.25 179.93 1rax h MET 62 N 0.52 -0.19 -1.00 0.00 2.86 -0.81 -2.26 114.93 114.05 1rax h MET 62 Ca 0.16 0.01 0.27 0.00 -2.06 0.00 0.00 59.70 58.09 1rax h MET 62 Cb 0.02 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 1rax h MET 62 CO -0.04 0.24 0.69 0.22 1.06 0.00 0.00 176.91 179.08 1rax h ASP 63 N -0.89 0.18 -0.21 1.22 3.58 -1.30 0.18 116.42 119.18 1rax h ASP 63 Ca -0.02 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.39 1rax h ASP 63 Cb 0.52 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 1rax h ASP 63 CO 0.03 0.05 -0.14 0.11 -2.88 0.00 0.00 179.24 176.41 1rax h LYS 64 N 0.17 0.47 -0.01 0.28 1.57 -1.33 -3.18 116.57 114.56 1rax h LYS 64 Ca 0.51 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1rax h LYS 64 Cb 1.70 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.00 1rax h LYS 64 CO -0.11 0.78 -0.07 0.72 -0.57 0.00 0.00 179.45 180.20 1rax n HIS 65 N -4.50 0.00 -3.49 -1.35 8.25 0.14 -4.95 115.22 109.33 1rax n HIS 65 Ca -0.05 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.22 1rax n HIS 65 Cb 0.36 -0.10 0.09 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.67 -3.75 -2.36 0.41 4.13 0.39 -4.92 115.26 108.48 1rax n ASN 66 Ca 0.17 -0.59 -0.27 0.00 1.68 0.00 0.00 54.58 55.58 1rax n ASN 66 Cb 0.26 -5.09 0.01 0.00 -1.54 0.00 0.00 39.78 33.43 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 -4.47 5.05 0.22 3.41 4.77 -1.15 -4.78 117.00 120.06 1rax n LEU 67 Ca -0.17 -5.02 0.15 0.00 -0.03 0.00 0.00 56.01 50.94 1rax n LEU 67 Cb 0.63 -0.48 0.78 0.00 -2.33 0.00 0.00 43.42 42.02 1rax n LEU 67 CO 0.62 2.14 0.96 -0.33 -1.33 0.00 0.00 177.39 179.46 1rax h GLU 68 N 2.46 0.00 -1.68 3.23 4.39 -1.91 -2.90 114.58 118.17 1rax h GLU 68 Ca 0.35 0.00 0.52 0.00 0.34 0.00 0.00 59.36 60.57 1rax h GLU 68 Cb 1.05 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.60 1rax h GLU 68 CO 0.88 0.00 1.16 1.05 -1.16 0.00 0.00 179.01 180.95 1rax h GLU 69 N 0.00 0.01 -4.94 2.33 4.11 -2.00 -3.41 114.58 110.69 1rax h GLU 69 Ca 0.00 -0.00 -0.39 0.00 0.07 0.00 0.00 59.36 59.04 1rax h GLU 69 Cb 0.08 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.19 1rax h GLU 69 CO 0.00 0.01 -0.60 -1.21 0.07 0.00 0.00 179.01 177.28 1rax s GLU 70 N -5.05 1.51 0.58 1.06 2.02 -1.10 -5.18 118.70 112.56 1rax s GLU 70 Ca -0.06 -1.84 0.00 0.00 0.02 0.00 0.00 54.97 53.09 1rax s GLU 70 Cb 0.29 -0.32 0.05 0.00 0.10 0.00 0.00 34.13 34.24 1rax s GLU 70 CO 0.86 -0.33 0.82 -1.21 0.02 0.00 0.00 175.26 175.43 1rax s GLU 71 N -3.95 2.42 0.17 1.61 2.02 -1.26 -4.99 118.70 114.71 1rax s GLU 71 Ca 0.36 -0.76 -0.05 0.00 0.02 0.00 0.00 54.97 54.54 1rax s GLU 71 Cb 0.07 -2.44 0.03 0.00 0.10 0.00 0.00 34.13 31.89 1rax s GLU 71 CO 0.15 -0.85 1.44 -1.00 0.02 0.00 0.00 175.26 175.02 1rax h PRO 72 N -0.06 0.56 -0.13 0.39 0.13 -1.92 -3.12 132.00 127.85 1rax h PRO 72 Ca -0.42 -0.41 0.04 0.00 -0.87 0.00 0.00 66.00 64.34 1rax h PRO 72 Cb 1.30 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 1rax h PRO 72 CO 0.52 1.03 0.19 0.93 -0.23 0.00 0.00 178.00 180.44 1rax h GLU 73 N 0.41 0.00 -0.94 0.86 4.39 -1.96 -1.11 114.58 116.23 1rax h GLU 73 Ca -0.02 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.41 1rax h GLU 73 Cb 1.23 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.72 1rax h GLU 73 CO 0.12 0.00 0.35 -3.47 -1.16 0.00 0.00 179.01 174.85 1rax n ASP 74 N -3.59 3.66 -3.70 1.42 -0.08 -1.18 -4.85 116.55 108.24 1rax n ASP 74 Ca 0.00 -2.98 -0.13 0.00 -1.51 0.00 0.00 54.79 50.17 1rax n ASP 74 Cb 0.30 -0.71 -0.13 0.00 2.34 0.00 0.00 41.12 42.92 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 -2.21 -0.35 0.32 -0.67 2.02 -0.42 -1.40 117.35 114.63 1rax s TYR 75 Ca 0.38 0.84 -0.26 0.00 -0.37 0.00 0.00 57.07 57.65 1rax s TYR 75 Cb 0.31 0.01 -0.10 0.00 -0.40 0.00 0.00 41.96 41.78 1rax s TYR 75 CO 0.08 -0.27 0.95 -1.21 -1.57 0.00 0.00 175.55 173.53 1rax s GLU 76 N 1.68 4.59 -0.26 -0.62 0.41 0.20 -4.87 118.70 119.85 1rax s GLU 76 Ca -0.05 1.35 -0.09 0.00 -0.41 0.00 0.00 54.97 55.77 1rax s GLU 76 Cb -0.11 -2.83 -0.04 0.00 -1.78 0.00 0.00 34.13 29.37 1rax s GLU 76 CO -0.08 0.28 0.12 -1.17 -0.49 0.00 0.00 175.26 173.92 1rax s LEU 77 N -2.00 3.71 -0.04 1.80 2.96 -1.26 -1.72 118.68 122.13 1rax s LEU 77 Ca 0.50 -0.10 0.05 0.00 -0.22 0.00 0.00 54.13 54.36 1rax s LEU 77 Cb -0.19 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 1rax s LEU 77 CO 0.25 -0.02 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.30 1rax s LEU 78 N 1.56 1.99 -0.11 -0.68 2.01 -0.35 -0.89 118.68 122.21 1rax s LEU 78 Ca 0.06 -0.39 -0.03 0.00 0.01 0.00 0.00 54.13 53.79 1rax s LEU 78 Cb -0.15 -1.08 -0.03 0.00 0.01 0.00 0.00 46.19 44.93 1rax s LEU 78 CO 0.06 0.21 0.00 -1.58 1.01 0.00 0.00 176.35 176.05 1rax s GLN 79 N -0.19 3.20 -0.20 1.70 0.74 0.02 0.03 119.66 124.97 1rax s GLN 79 Ca 0.00 -0.42 -0.09 0.00 0.05 0.00 0.00 55.36 54.91 1rax s GLN 79 Cb -0.11 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.10 1rax s GLN 79 CO 0.01 0.58 0.10 0.42 -0.55 0.00 0.00 175.29 175.86 1rax s ILE 80 N -0.55 5.07 0.00 -2.34 1.01 -0.12 0.09 121.20 124.36 1rax s ILE 80 Ca 0.09 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1rax s ILE 80 Cb -0.12 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1rax s ILE 80 CO 0.02 0.43 0.00 0.18 0.00 0.00 0.00 174.94 175.58 1rax n LEU 81 N 3.67 0.00 -4.99 2.97 7.99 -0.27 -4.27 117.00 122.09 1rax n LEU 81 Ca -0.16 0.00 -0.24 0.00 -0.01 0.00 0.00 56.01 55.60 1rax n LEU 81 Cb 0.52 -0.09 0.12 0.00 -0.11 0.00 0.00 43.42 43.86 1rax n LEU 81 CO 0.36 -0.14 0.58 -0.44 -1.51 0.00 0.00 177.39 176.24 1rax s SER 82 N -1.44 4.16 0.00 -1.43 0.01 -1.05 -4.65 113.70 109.30 1rax s SER 82 Ca 0.00 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 56.81 1rax s SER 82 Cb 0.00 0.13 -0.15 0.00 0.21 0.00 0.00 66.02 66.21 1rax s SER 82 CO 0.00 -2.00 2.78 -0.90 0.41 0.00 0.00 173.24 173.53 1rax n ASP 83 N -2.93 4.93 0.00 2.44 5.68 -1.26 -3.36 116.55 122.06 1rax n ASP 83 Ca 0.16 -2.37 0.00 0.00 -0.50 0.00 0.00 54.79 52.08 1rax n ASP 83 Cb 0.61 -1.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.37 1rax n ASP 83 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1rax n ASP 84 N 2.12 0.00 -4.56 -1.12 8.00 -1.26 -5.11 116.55 114.62 1rax n ASP 84 Ca 0.24 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.32 1rax n ASP 84 Cb 0.70 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.73 1rax n ASP 84 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1rax s ARG 85 N 0.00 3.59 0.28 -1.24 1.81 -1.21 -5.04 118.95 117.14 1rax s ARG 85 Ca 0.00 -0.01 0.11 0.00 -1.72 0.00 0.00 55.73 54.11 1rax s ARG 85 Cb 0.00 -3.85 -0.05 0.00 -0.45 0.00 0.00 34.95 30.61 1rax s ARG 85 CO 0.00 -0.83 -0.11 0.15 -0.68 0.00 0.00 175.30 173.83 1rax s LYS 86 N 2.82 1.93 0.23 3.54 1.02 -1.26 -1.12 119.74 126.90 1rax s LYS 86 Ca 0.25 -1.65 0.05 0.00 0.02 0.00 0.00 55.97 54.65 1rax s LYS 86 Cb -0.14 -1.92 -0.05 0.00 -0.52 0.00 0.00 37.83 35.20 1rax s LYS 86 CO 0.16 0.32 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.34 1rax s LEU 87 N -3.59 2.41 -0.03 3.17 1.43 0.11 -4.95 118.68 117.24 1rax s LEU 87 Ca 0.31 -1.14 0.04 0.00 -1.03 0.00 0.00 54.13 52.31 1rax s LEU 87 Cb -0.05 -0.48 -0.00 0.00 0.03 0.00 0.00 46.19 45.69 1rax s LEU 87 CO 0.17 -0.36 -0.14 -0.75 0.23 0.00 0.00 176.35 175.50 1rax s LYS 88 N -3.76 1.43 -0.17 1.70 2.20 -1.26 -0.80 119.74 119.08 1rax s LYS 88 Ca 0.26 -0.48 -0.03 0.00 -0.36 0.00 0.00 55.97 55.35 1rax s LYS 88 Cb 0.03 -1.27 -0.02 0.00 -1.51 0.00 0.00 37.83 35.06 1rax s LYS 88 CO 0.08 0.20 -0.06 0.42 -0.36 0.00 0.00 175.35 175.63 1rax s ILE 89 N 0.08 3.60 0.93 5.43 1.01 -0.07 -4.96 121.20 127.23 1rax s ILE 89 Ca -0.03 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.05 1rax s ILE 89 Cb -0.10 -2.58 0.15 0.00 0.01 0.00 0.00 42.46 39.94 1rax s ILE 89 CO 0.01 0.48 1.11 -2.16 0.00 0.00 0.00 174.94 174.38 1rax s PRO 90 N 0.65 0.97 0.67 2.79 0.04 -1.26 -4.31 135.00 134.54 1rax s PRO 90 Ca -0.03 0.50 0.38 0.00 0.04 0.00 0.00 61.00 61.88 1rax s PRO 90 Cb -0.15 -1.80 2.07 0.00 0.04 0.00 0.00 34.50 34.66 1rax s PRO 90 CO 0.02 -2.36 2.17 1.49 0.04 0.00 0.00 177.00 178.36 1rax h GLU 91 N -1.62 0.00 0.00 4.56 4.81 -1.99 -3.05 114.58 117.30 1rax h GLU 91 Ca -0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1rax h GLU 91 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1rax h GLU 91 CO 0.59 0.00 0.00 -1.71 -0.73 0.00 0.00 179.01 177.16 1rax n ASN 92 N -3.00 0.26 -4.60 1.04 4.05 -1.26 -2.82 115.26 108.93 1rax n ASN 92 Ca -0.02 -1.06 -0.43 0.00 0.45 0.00 0.00 54.58 53.51 1rax n ASN 92 Cb 0.21 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.19 1rax n ASN 92 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1rax n ALA 93 N -0.03 1.72 -1.51 5.20 0.00 -1.15 -4.81 120.51 119.94 1rax n ALA 93 Ca 0.00 -0.17 -0.40 0.00 0.00 0.00 0.00 53.44 52.87 1rax n ALA 93 Cb 0.27 -2.87 -0.13 0.00 0.00 0.00 0.00 19.45 16.73 1rax n ALA 93 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1rax n ASN 94 N 10.95 0.65 -0.26 0.00 2.04 -1.25 -4.23 115.26 123.16 1rax n ASN 94 Ca 0.29 0.06 0.03 0.00 -0.44 0.00 0.00 54.58 54.52 1rax n ASN 94 Cb 0.43 -1.04 0.11 0.00 -2.53 0.00 0.00 39.78 36.75 1rax n ASN 94 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 1rax h VAL 95 N 7.94 0.25 -0.86 3.53 2.07 -1.45 0.46 116.25 128.19 1rax h VAL 95 Ca -0.08 -0.01 0.25 0.00 0.82 0.00 0.00 66.70 67.68 1rax h VAL 95 Cb 1.30 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1rax h VAL 95 CO 1.35 0.00 0.73 0.15 0.02 0.00 0.00 177.57 179.82 1rax h PHE 96 N 0.02 0.00 -0.04 1.57 3.57 -1.83 -0.59 116.94 119.63 1rax h PHE 96 Ca 0.38 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1rax h PHE 96 Cb 0.60 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1rax h PHE 96 CO -0.57 0.00 0.00 0.66 -2.23 0.00 0.00 178.31 176.17 1rax n TYR 97 N -3.91 0.05 -0.64 0.41 4.02 0.13 -4.68 117.16 112.54 1rax n TYR 97 Ca 0.18 -0.10 0.07 0.00 -0.01 0.00 0.00 57.90 58.03 1rax n TYR 97 Cb 1.03 -0.01 0.14 0.00 -0.02 0.00 0.00 39.34 40.48 1rax n TYR 97 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rax n ALA 98 N 0.28 2.39 -2.51 -0.72 0.00 0.69 -4.94 120.51 115.70 1rax n ALA 98 Ca 0.04 -1.90 -0.29 0.00 0.00 0.00 0.00 53.44 51.29 1rax n ALA 98 Cb 0.19 -0.40 -0.11 0.00 0.00 0.00 0.00 19.45 19.13 1rax n ALA 98 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1rax s MET 99 N -2.09 1.84 -0.45 0.00 -1.94 -1.21 -4.88 119.30 110.58 1rax s MET 99 Ca 0.26 -1.20 -0.28 0.00 -1.71 0.00 0.00 55.69 52.76 1rax s MET 99 Cb 0.20 -2.12 -0.01 0.00 2.01 0.00 0.00 34.83 34.91 1rax s MET 99 CO 0.06 0.47 1.72 1.21 -0.01 0.00 0.00 175.02 178.47 1rax s ASN 100 N -2.28 5.80 0.17 3.03 3.84 -1.26 -4.86 114.94 119.37 1rax s ASN 100 Ca 0.19 0.83 -0.12 0.00 0.21 0.00 0.00 52.86 53.98 1rax s ASN 100 Cb -0.10 -2.53 0.07 0.00 -0.55 0.00 0.00 41.25 38.13 1rax s ASN 100 CO 0.11 -1.87 1.72 -1.28 -2.79 0.00 0.00 177.10 173.00 1rax h SER 101 N 12.99 0.80 0.00 -4.21 0.87 -1.97 -2.69 113.55 119.33 1rax h SER 101 Ca -0.30 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1rax h SER 101 Cb 1.15 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1rax h SER 101 CO 1.11 0.75 0.04 0.35 -0.53 0.00 0.00 176.83 178.55 1rax n THR 102 N -4.48 1.16 -1.13 2.23 -2.24 -1.26 -4.57 114.28 103.99 1rax n THR 102 Ca 0.03 0.69 0.00 0.00 -2.27 0.00 0.00 64.05 62.50 1rax n THR 102 Cb 0.16 -1.69 0.00 0.00 -2.10 0.00 0.00 70.33 66.70 1rax n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rax n ALA 103 N -1.69 0.00 -2.51 6.98 0.00 -1.02 -5.14 120.51 117.14 1rax n ALA 103 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.18 1rax n ALA 103 Cb 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 1rax n ALA 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rax s ASN 104 N -0.66 3.84 -0.81 0.00 6.03 -1.26 -5.04 114.94 117.05 1rax s ASN 104 Ca 0.00 -0.86 -0.07 0.00 -1.03 0.00 0.00 52.86 50.90 1rax s ASN 104 Cb 0.00 -0.46 -0.10 0.00 -3.03 0.00 0.00 41.25 37.66 1rax s ASN 104 CO 0.00 0.06 3.10 -1.22 -2.03 0.00 0.00 177.10 177.01 1rax n TYR 105 N -0.41 1.43 -4.07 1.54 4.01 -1.26 -4.71 117.16 113.68 1rax n TYR 105 Ca -0.08 -2.29 -0.35 0.00 -0.16 0.00 0.00 57.90 55.02 1rax n TYR 105 Cb 0.58 -1.90 -0.08 0.00 -0.31 0.00 0.00 39.34 37.63 1rax n TYR 105 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1rax s ASP 106 N 1.58 5.78 -0.01 7.72 1.11 -1.26 -1.23 116.67 130.35 1rax s ASP 106 Ca 0.65 0.24 0.01 0.00 0.18 0.00 0.00 52.55 53.63 1rax s ASP 106 Cb 0.26 -1.85 0.01 0.00 1.07 0.00 0.00 42.92 42.41 1rax s ASP 106 CO -0.07 0.32 -0.03 -0.36 1.18 0.00 0.00 175.17 176.21 1rax s PHE 107 N -0.51 0.35 -0.06 4.23 0.40 0.15 -0.95 117.98 121.60 1rax s PHE 107 Ca 0.10 -0.06 0.03 0.00 -0.60 0.00 0.00 56.93 56.41 1rax s PHE 107 Cb -0.12 -0.28 -0.03 0.00 0.51 0.00 0.00 43.02 43.10 1rax s PHE 107 CO 0.02 -0.04 -0.13 0.08 0.70 0.00 0.00 175.22 175.85 1rax s VAL 108 N 0.22 3.17 -0.39 -0.44 1.01 0.10 -1.13 120.40 122.95 1rax s VAL 108 Ca -0.02 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1rax s VAL 108 Cb -0.05 -2.26 0.06 0.00 0.00 0.00 0.00 36.38 34.13 1rax s VAL 108 CO -0.00 0.59 0.20 -0.22 0.00 0.00 0.00 175.10 175.66 1rax s LEU 109 N -0.65 4.83 0.09 3.92 2.96 -0.01 -1.21 118.68 128.61 1rax s LEU 109 Ca 0.10 -1.31 0.07 0.00 -0.22 0.00 0.00 54.13 52.76 1rax s LEU 109 Cb -0.11 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1rax s LEU 109 CO 0.01 -0.45 -0.11 -0.75 -1.32 0.00 0.00 176.35 173.73 1rax s LYS 110 N 1.44 2.14 0.34 1.98 2.20 -0.70 -2.02 119.74 125.12 1rax s LYS 110 Ca 0.02 -1.00 -0.13 0.00 -0.36 0.00 0.00 55.97 54.49 1rax s LYS 110 Cb -0.21 -2.30 -0.08 0.00 -1.51 0.00 0.00 37.83 33.73 1rax s LYS 110 CO 0.03 0.52 0.73 0.21 -0.36 0.00 0.00 175.35 176.48 1rax s LYS 111 N -2.04 3.91 -0.25 4.03 2.20 -1.26 0.63 119.74 126.96 1rax s LYS 111 Ca 0.20 0.57 -0.05 0.00 -0.36 0.00 0.00 55.97 56.33 1rax s LYS 111 Cb -0.11 -2.44 -0.14 0.00 -1.51 0.00 0.00 37.83 33.63 1rax s LYS 111 CO 0.12 0.11 3.29 -2.13 -0.36 0.00 0.00 175.35 176.38 1rax n ARG 112 N -0.64 2.26 -0.82 4.03 0.63 -0.49 -4.74 116.66 116.89 1rax n ARG 112 Ca 0.03 -1.55 -0.29 0.00 -0.92 0.00 0.00 57.85 55.12 1rax n ARG 112 Cb 0.53 -2.10 0.20 0.00 0.45 0.00 0.00 32.46 31.55 1rax n ARG 112 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1rax s THR 113 N -0.08 2.17 -0.19 5.15 2.01 -1.26 -4.81 115.64 118.63 1rax s THR 113 Ca 0.64 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.58 1rax s THR 113 Cb 0.33 -2.28 -0.13 0.00 0.01 0.00 0.00 72.50 70.43 1rax s THR 113 CO -0.08 -0.07 1.40 2.22 -0.69 0.00 0.00 174.62 177.40 1rax n PHE 114 N -4.48 0.35 -1.83 4.92 1.16 -1.26 -5.21 117.46 111.11 1rax n PHE 114 Ca 0.05 -0.81 0.00 0.00 -1.87 0.00 0.00 57.45 54.82 1rax n PHE 114 Cb 0.55 -0.88 0.00 0.00 -1.61 0.00 0.00 39.48 37.53 1rax n PHE 114 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30