#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 4.28 0.35 3.69 -1.52 -1.26 -5.08 119.66 120.11 1rax s GLN 24 Ca 0.00 0.26 0.08 0.00 -1.95 0.00 0.00 55.36 53.75 1rax s GLN 24 Cb 0.00 -3.45 -0.05 0.00 -0.22 0.00 0.00 33.01 29.29 1rax s GLN 24 CO 0.00 0.15 0.09 0.08 -0.25 0.00 0.00 175.29 175.36 1rax s VAL 25 N 0.71 2.76 0.00 1.09 1.01 -1.26 -4.96 120.40 119.76 1rax s VAL 25 Ca 0.21 -1.82 0.00 0.00 0.00 0.00 0.00 61.98 60.37 1rax s VAL 25 Cb -0.14 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1rax s VAL 25 CO 0.07 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1rax n GLY 26 N -1.07 1.78 1.63 4.51 0.00 -1.26 -4.96 105.19 105.81 1rax n GLY 26 Ca -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 1rax n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rax n ASP 27 N 6.38 -4.23 -3.93 1.61 8.00 -1.26 -3.98 116.55 119.14 1rax n ASP 27 Ca 0.00 0.71 -0.10 0.00 0.71 0.00 0.00 54.79 56.11 1rax n ASP 27 Cb 0.00 -2.70 -0.10 0.00 -0.02 0.00 0.00 41.12 38.30 1rax n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rax s ILE 30 N -3.40 5.03 0.16 0.00 1.01 -1.26 -0.33 121.20 122.41 1rax s ILE 30 Ca 0.10 0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.87 1rax s ILE 30 Cb 0.04 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1rax s ILE 30 CO -0.04 0.51 -0.15 0.27 0.00 0.00 0.00 174.94 175.53 1rax s ILE 31 N -0.07 1.56 -0.10 2.92 -4.36 -0.42 -4.89 121.20 115.83 1rax s ILE 31 Ca 0.08 -1.94 0.01 0.00 -0.26 0.00 0.00 60.65 58.54 1rax s ILE 31 Cb -0.12 -1.79 -0.02 0.00 1.25 0.00 0.00 42.46 41.79 1rax s ILE 31 CO 0.01 -0.47 -0.12 -0.60 0.24 0.00 0.00 174.94 174.00 1rax s ARG 32 N -3.07 3.11 -0.08 0.37 3.52 -0.64 -1.90 118.95 120.27 1rax s ARG 32 Ca 0.15 -0.66 -0.01 0.00 -0.13 0.00 0.00 55.73 55.07 1rax s ARG 32 Cb -0.03 -2.58 0.03 0.00 -1.56 0.00 0.00 34.95 30.81 1rax s ARG 32 CO 0.05 0.37 -0.00 0.08 -0.81 0.00 0.00 175.30 174.98 1rax s VAL 33 N -0.04 0.44 0.26 7.11 1.01 0.29 0.29 120.40 129.76 1rax s VAL 33 Ca -0.02 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1rax s VAL 33 Cb -0.14 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1rax s VAL 33 CO 0.04 0.24 0.39 -0.55 0.00 0.00 0.00 175.10 175.22 1rax s SER 34 N 1.95 6.29 0.14 3.32 0.15 -0.49 -0.86 113.70 124.20 1rax s SER 34 Ca 0.05 0.09 -0.04 0.00 0.70 0.00 0.00 55.95 56.75 1rax s SER 34 Cb -0.13 -1.83 -0.05 0.00 -1.71 0.00 0.00 66.02 62.30 1rax s SER 34 CO -0.06 -0.12 0.36 -0.76 1.20 0.00 0.00 173.24 173.87 1rax s LEU 35 N -4.03 4.27 -1.21 3.45 1.02 -1.26 -0.76 118.68 120.15 1rax s LEU 35 Ca 0.35 0.57 -0.08 0.00 0.02 0.00 0.00 54.13 54.99 1rax s LEU 35 Cb -0.09 -3.29 0.21 0.00 0.02 0.00 0.00 46.19 43.04 1rax s LEU 35 CO 0.30 0.06 1.71 -0.67 0.02 0.00 0.00 176.35 177.77 1rax n ASP 36 N 0.09 5.50 0.00 2.29 2.03 -0.51 -4.62 116.55 121.35 1rax n ASP 36 Ca -0.03 -3.19 0.00 0.00 0.52 0.00 0.00 54.79 52.09 1rax n ASP 36 Cb 0.52 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 1rax n ASP 36 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1rax n VAL 37 N 2.80 0.00 0.00 5.18 0.31 -1.26 -4.80 118.33 120.55 1rax n VAL 37 Ca 0.35 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.84 1rax n VAL 37 Cb 0.36 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 1rax n VAL 37 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1rax n ASP 38 N -1.85 0.00 -4.68 4.52 2.03 -1.26 -5.14 116.55 110.16 1rax n ASP 38 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 1rax n ASP 38 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 1rax n ASP 38 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1rax n ASN 39 N 0.00 1.55 -4.49 1.67 3.02 -1.26 -4.86 115.26 110.89 1rax n ASN 39 Ca 0.00 0.82 -0.45 0.00 -0.03 0.00 0.00 54.58 54.92 1rax n ASN 39 Cb 0.00 -1.49 -0.01 0.00 -0.61 0.00 0.00 39.78 37.66 1rax n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1rax n GLY 40 N 1.07 -1.07 3.69 7.41 0.00 -1.26 -4.97 105.19 110.06 1rax n GLY 40 Ca 0.15 0.26 -0.24 0.00 0.00 0.00 0.00 46.02 46.19 1rax n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rax s ASN 41 N -0.80 4.43 0.09 1.61 0.02 -1.26 -5.04 114.94 113.99 1rax s ASN 41 Ca 0.61 -0.91 0.24 0.00 -1.02 0.00 0.00 52.86 51.78 1rax s ASN 41 Cb -0.75 -0.61 0.31 0.00 0.02 0.00 0.00 41.25 40.23 1rax s ASN 41 CO 0.58 -0.31 1.28 0.23 0.02 0.00 0.00 177.10 178.90 1rax n MET 42 N -1.08 0.24 -2.34 -0.60 2.81 -1.26 -5.06 117.12 109.82 1rax n MET 42 Ca -0.03 0.05 -0.03 0.00 -1.81 0.00 0.00 57.70 55.89 1rax n MET 42 Cb 0.62 -1.64 -0.02 0.00 -0.71 0.00 0.00 33.22 31.47 1rax n MET 42 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1rax n TYR 43 N -1.98 -4.21 -4.13 2.03 4.01 -1.26 -4.98 117.16 106.64 1rax n TYR 43 Ca 0.03 2.48 -0.35 0.00 -0.16 0.00 0.00 57.90 59.90 1rax n TYR 43 Cb 0.42 -3.68 -0.09 0.00 -0.31 0.00 0.00 39.34 35.68 1rax n TYR 43 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1rax s LYS 44 N -0.74 3.52 -0.11 -0.72 -0.14 -0.04 -4.88 119.74 116.63 1rax s LYS 44 Ca -0.13 -0.33 -0.03 0.00 -1.36 0.00 0.00 55.97 54.12 1rax s LYS 44 Cb 0.01 -3.05 -0.03 0.00 -1.68 0.00 0.00 37.83 33.08 1rax s LYS 44 CO 0.36 0.52 -0.01 -1.54 -0.76 0.00 0.00 175.35 173.92 1rax s SER 45 N -0.34 5.13 0.08 2.83 1.04 -1.26 -0.55 113.70 120.64 1rax s SER 45 Ca 0.08 0.06 -0.14 0.00 0.48 0.00 0.00 55.95 56.43 1rax s SER 45 Cb -0.12 -1.58 0.02 0.00 0.10 0.00 0.00 66.02 64.45 1rax s SER 45 CO 0.02 0.31 0.34 0.27 0.98 0.00 0.00 173.24 175.15 1rax s ILE 46 N -0.45 0.08 -0.15 -1.02 -4.36 -0.80 -5.03 121.20 109.47 1rax s ILE 46 Ca 0.08 -0.69 -0.07 0.00 -0.26 0.00 0.00 60.65 59.70 1rax s ILE 46 Cb -0.12 -1.11 -0.04 0.00 1.25 0.00 0.00 42.46 42.44 1rax s ILE 46 CO 0.02 -0.38 0.10 -0.22 0.24 0.00 0.00 174.94 174.70 1rax s LEU 47 N -2.50 4.12 -0.10 0.37 0.20 -1.26 -1.30 118.68 118.22 1rax s LEU 47 Ca -0.00 0.28 -0.02 0.00 0.69 0.00 0.00 54.13 55.08 1rax s LEU 47 Cb 0.01 -2.02 -0.03 0.00 -0.43 0.00 0.00 46.19 43.72 1rax s LEU 47 CO -0.08 0.29 0.01 0.54 -0.29 0.00 0.00 176.35 176.82 1rax s VAL 48 N -0.34 4.35 0.03 1.68 0.11 0.55 -4.96 120.40 121.81 1rax s VAL 48 Ca 0.10 -0.23 0.05 0.00 -2.93 0.00 0.00 61.98 58.97 1rax s VAL 48 Cb -0.12 -2.84 -0.03 0.00 -1.53 0.00 0.00 36.38 31.86 1rax s VAL 48 CO 0.01 0.59 -0.10 0.42 -3.33 0.00 0.00 175.10 172.69 1rax s THR 49 N -0.74 3.38 0.08 5.04 -4.23 -1.26 -0.89 115.64 117.02 1rax s THR 49 Ca 0.12 -0.95 -0.11 0.00 -1.18 0.00 0.00 61.69 59.56 1rax s THR 49 Cb -0.12 -2.48 0.01 0.00 1.34 0.00 0.00 72.50 71.26 1rax s THR 49 CO 0.02 0.34 0.65 -1.54 -0.54 0.00 0.00 174.62 173.55 1rax n SER 50 N 1.43 -0.39 0.00 3.99 3.41 -0.80 0.44 113.62 121.70 1rax n SER 50 Ca -0.15 0.74 0.15 0.00 -0.26 0.00 0.00 58.87 59.35 1rax n SER 50 Cb 0.52 -0.12 0.80 0.00 -0.26 0.00 0.00 64.21 65.15 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 -4.55 0.56 -1.91 4.33 7.27 -1.26 -4.31 117.38 117.50 1rax n GLN 51 Ca 0.02 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.67 1rax n GLN 51 Cb 0.13 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 31.25 1rax n GLN 51 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 1rax s ASP 52 N -2.44 6.58 0.53 1.69 1.47 0.17 -5.01 116.67 119.67 1rax s ASP 52 Ca 0.33 2.54 0.07 0.00 1.18 0.00 0.00 52.55 56.67 1rax s ASP 52 Cb 0.20 -2.57 0.05 0.00 -0.34 0.00 0.00 42.92 40.26 1rax s ASP 52 CO 0.44 -0.88 0.54 -0.54 0.68 0.00 0.00 175.17 175.40 1rax s LYS 53 N 2.33 2.33 0.17 2.11 -0.14 -1.26 -3.36 119.74 121.92 1rax s LYS 53 Ca 0.74 -1.80 -0.27 0.00 -1.36 0.00 0.00 55.97 53.27 1rax s LYS 53 Cb -0.41 -2.34 0.02 0.00 -1.68 0.00 0.00 37.83 33.41 1rax s LYS 53 CO 0.32 -0.63 1.55 0.00 -0.76 0.00 0.00 175.35 175.83 1rax h ALA 54 N 0.59 -0.37 0.00 5.17 0.00 -1.71 -0.42 119.26 122.52 1rax h ALA 54 Ca -0.35 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rax h ALA 54 Cb 1.29 1.19 0.00 0.00 0.00 0.00 0.00 17.79 20.27 1rax h ALA 54 CO 0.51 -0.87 0.00 -0.35 0.00 0.00 0.00 179.25 178.54 1rax n PRO 55 N -5.34 0.05 -0.08 0.00 -0.04 -1.26 -1.88 135.00 126.44 1rax n PRO 55 Ca 0.03 0.40 -0.13 0.00 -0.04 0.00 0.00 63.50 63.76 1rax n PRO 55 Cb 0.32 -1.61 -0.09 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 2.25 0.07 -0.04 0.55 0.00 -1.48 -2.98 119.26 117.64 1rax h ALA 56 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.31 1rax h ALA 56 Cb 0.16 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1rax h ALA 56 CO 0.00 0.24 0.03 0.28 0.00 0.00 0.00 179.25 179.80 1rax h VAL 57 N -1.00 0.77 0.01 0.00 2.07 -1.06 -0.35 116.25 116.69 1rax h VAL 57 Ca -0.10 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.22 1rax h VAL 57 Cb 0.87 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1rax h VAL 57 CO -0.06 0.00 -0.92 0.40 0.02 0.00 0.00 177.57 177.02 1rax h ILE 58 N 0.00 1.50 -0.70 4.57 2.04 -1.49 -0.39 117.51 123.03 1rax h ILE 58 Ca 0.02 -2.68 -0.06 0.00 1.00 0.00 0.00 64.86 63.14 1rax h ILE 58 Cb 0.08 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 1rax h ILE 58 CO -0.00 0.78 0.21 -0.09 0.00 0.00 0.00 178.15 179.05 1rax h ARG 59 N 0.11 1.08 0.02 2.37 2.43 -0.91 0.27 114.38 119.75 1rax h ARG 59 Ca -0.05 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1rax h ARG 59 Cb 1.56 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 1rax h ARG 59 CO 0.14 0.93 -0.01 -0.22 -1.51 0.00 0.00 179.97 179.30 1rax h LYS 60 N 1.04 -0.02 -0.64 0.20 1.63 -1.37 -2.17 116.57 115.24 1rax h LYS 60 Ca 0.23 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.09 1rax h LYS 60 Cb 0.31 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.90 1rax h LYS 60 CO -0.01 0.56 0.42 0.00 -3.45 0.00 0.00 179.45 176.97 1rax h ALA 61 N 0.33 1.79 0.05 5.00 0.00 -1.03 -1.33 119.26 124.07 1rax h ALA 61 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rax h ALA 61 Cb 0.59 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1rax h ALA 61 CO 0.00 0.11 -0.02 0.52 0.00 0.00 0.00 179.25 179.86 1rax h MET 62 N 0.63 -0.07 -1.00 0.00 2.86 -0.97 -2.11 114.93 114.28 1rax h MET 62 Ca 0.28 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 58.20 1rax h MET 62 Cb 0.28 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.90 1rax h MET 62 CO -0.09 0.55 0.69 0.22 1.06 0.00 0.00 176.91 179.35 1rax h ASP 63 N -0.88 0.16 -0.32 1.22 3.58 -1.27 0.24 116.42 119.15 1rax h ASP 63 Ca -0.01 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.36 1rax h ASP 63 Cb 0.65 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 1rax h ASP 63 CO 0.01 0.04 -0.23 0.11 -2.88 0.00 0.00 179.24 176.30 1rax h LYS 64 N 0.15 0.72 -0.05 0.28 1.79 -1.22 -3.10 116.57 115.14 1rax h LYS 64 Ca 0.50 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1rax h LYS 64 Cb 1.72 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.37 1rax h LYS 64 CO -0.09 0.96 0.00 0.72 -1.08 0.00 0.00 179.45 179.95 1rax n HIS 65 N -4.29 0.05 -2.85 -1.35 8.25 0.55 -4.92 115.22 110.66 1rax n HIS 65 Ca -0.03 -0.03 -0.21 0.00 -0.26 0.00 0.00 57.72 57.20 1rax n HIS 65 Cb 0.43 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.17 -5.79 -2.41 0.41 4.13 0.45 -4.90 115.26 106.98 1rax n ASN 66 Ca 0.19 -0.22 -0.30 0.00 1.68 0.00 0.00 54.58 55.93 1rax n ASN 66 Cb 0.26 -4.66 0.03 0.00 -1.54 0.00 0.00 39.78 33.87 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 -3.58 5.80 0.00 3.41 4.77 -0.84 -4.71 117.00 121.85 1rax n LEU 67 Ca -0.13 -4.86 0.11 0.00 -0.03 0.00 0.00 56.01 51.09 1rax n LEU 67 Cb 0.63 -0.63 0.54 0.00 -2.33 0.00 0.00 43.42 41.63 1rax n LEU 67 CO 0.41 1.99 0.84 -0.62 -1.33 0.00 0.00 177.39 178.68 1rax n GLU 68 N -0.63 0.31 0.08 3.23 -0.58 -1.26 -3.52 120.64 118.27 1rax n GLU 68 Ca 0.47 0.08 0.21 0.00 -0.42 0.00 0.00 57.16 57.50 1rax n GLU 68 Cb 0.66 -1.50 0.70 0.00 -0.57 0.00 0.00 31.44 30.74 1rax n GLU 68 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1rax h GLU 69 N 0.00 0.00 -5.14 3.49 9.09 -1.98 -3.42 114.58 116.62 1rax h GLU 69 Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.84 1rax h GLU 69 Cb 0.20 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 27.17 1rax h GLU 69 CO 0.00 0.00 -0.54 -1.21 0.05 0.00 0.00 179.01 177.31 1rax s GLU 70 N -4.53 1.94 0.56 1.06 2.02 -1.23 -5.17 118.70 113.36 1rax s GLU 70 Ca -0.04 -2.18 0.03 0.00 0.02 0.00 0.00 54.97 52.80 1rax s GLU 70 Cb 0.14 -0.93 0.05 0.00 0.10 0.00 0.00 34.13 33.50 1rax s GLU 70 CO 0.50 -0.37 0.78 -1.21 0.02 0.00 0.00 175.26 174.98 1rax s GLU 71 N -3.78 2.41 0.14 1.61 8.01 -1.26 -5.03 118.70 120.80 1rax s GLU 71 Ca 0.23 -1.00 -0.07 0.00 0.01 0.00 0.00 54.97 54.14 1rax s GLU 71 Cb 0.04 -2.52 -0.03 0.00 -4.31 0.00 0.00 34.13 27.30 1rax s GLU 71 CO 0.12 -0.78 1.39 -1.00 0.01 0.00 0.00 175.26 175.00 1rax h PRO 72 N 0.07 0.63 -0.17 0.39 0.13 -1.92 -3.01 132.00 128.12 1rax h PRO 72 Ca -0.40 -0.49 0.05 0.00 -0.87 0.00 0.00 66.00 64.30 1rax h PRO 72 Cb 1.29 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 1rax h PRO 72 CO 0.48 1.11 0.35 1.05 -0.23 0.00 0.00 178.00 180.76 1rax h GLU 73 N 0.44 0.00 -1.02 0.86 4.11 -1.96 -1.66 114.58 115.36 1rax h GLU 73 Ca -0.03 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.09 1rax h GLU 73 Cb 1.31 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.38 1rax h GLU 73 CO 0.14 0.00 0.39 -3.47 0.07 0.00 0.00 179.01 176.14 1rax n ASP 74 N -3.28 3.56 -3.67 3.06 2.03 -1.14 -4.81 116.55 112.29 1rax n ASP 74 Ca 0.02 -2.95 -0.13 0.00 0.52 0.00 0.00 54.79 52.25 1rax n ASP 74 Cb 0.46 -0.71 -0.08 0.00 -0.72 0.00 0.00 41.12 40.06 1rax n ASP 74 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1rax s TYR 75 N -1.94 -0.66 0.11 -0.67 2.02 -0.63 -0.93 117.35 114.66 1rax s TYR 75 Ca 0.33 1.58 0.07 0.00 -0.37 0.00 0.00 57.07 58.68 1rax s TYR 75 Cb 0.28 0.24 -0.04 0.00 -0.40 0.00 0.00 41.96 42.04 1rax s TYR 75 CO 0.06 -0.32 -0.08 -1.83 -1.57 0.00 0.00 175.55 171.82 1rax s GLU 76 N 0.41 2.20 -0.16 -0.62 1.03 0.93 -4.78 118.70 117.71 1rax s GLU 76 Ca -0.01 -1.02 -0.03 0.00 0.03 0.00 0.00 54.97 53.94 1rax s GLU 76 Cb -0.04 -2.33 -0.02 0.00 -0.80 0.00 0.00 34.13 30.93 1rax s GLU 76 CO -0.01 0.50 -0.05 -1.17 -1.33 0.00 0.00 175.26 173.21 1rax s LEU 77 N -2.33 3.15 0.00 1.83 2.96 -1.26 -1.90 118.68 121.13 1rax s LEU 77 Ca 0.23 -0.18 0.08 0.00 -0.22 0.00 0.00 54.13 54.03 1rax s LEU 77 Cb -0.11 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1rax s LEU 77 CO 0.15 0.15 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.33 1rax s LEU 78 N 0.49 2.09 -0.08 -0.68 2.01 -0.20 -1.25 118.68 121.05 1rax s LEU 78 Ca -0.04 -0.47 -0.01 0.00 0.01 0.00 0.00 54.13 53.62 1rax s LEU 78 Cb -0.14 -1.18 -0.03 0.00 0.01 0.00 0.00 46.19 44.84 1rax s LEU 78 CO 0.03 0.26 -0.02 -1.58 1.01 0.00 0.00 176.35 176.06 1rax s GLN 79 N -0.77 2.93 -0.23 1.70 0.74 -0.28 -0.30 119.66 123.45 1rax s GLN 79 Ca 0.09 -0.44 -0.08 0.00 0.05 0.00 0.00 55.36 54.98 1rax s GLN 79 Cb -0.09 -2.75 -0.04 0.00 1.10 0.00 0.00 33.01 31.23 1rax s GLN 79 CO 0.00 0.69 0.10 0.42 -0.55 0.00 0.00 175.29 175.95 1rax s ILE 80 N -0.86 4.80 -0.09 -2.34 1.01 -0.14 -0.54 121.20 123.05 1rax s ILE 80 Ca 0.13 -0.01 0.13 0.00 0.00 0.00 0.00 60.65 60.90 1rax s ILE 80 Cb -0.11 -3.23 0.27 0.00 0.01 0.00 0.00 42.46 39.40 1rax s ILE 80 CO 0.02 0.36 1.13 0.00 0.00 0.00 0.00 174.94 176.45 1rax n LEU 81 N 4.42 1.53 0.00 2.97 -0.00 -0.66 -4.25 117.00 121.00 1rax n LEU 81 Ca -0.16 -2.49 0.00 0.00 -0.00 0.00 0.00 56.01 53.36 1rax n LEU 81 Cb 0.52 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 1rax n LEU 81 CO 0.33 0.70 0.00 -1.20 -0.00 0.00 0.00 177.39 177.22 1rax n SER 82 N -0.60 0.00 -0.32 1.45 7.64 -1.23 -4.88 113.62 115.68 1rax n SER 82 Ca 0.10 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.93 1rax n SER 82 Cb 0.77 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.94 1rax n SER 82 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1rax n ASP 83 N 0.00 -0.69 -0.00 6.43 5.68 -1.26 -3.41 116.55 123.29 1rax n ASP 83 Ca 0.00 1.40 0.00 0.00 -0.50 0.00 0.00 54.79 55.69 1rax n ASP 83 Cb 0.00 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1rax n ASP 83 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1rax n ASP 84 N -5.07 0.36 -4.57 -1.12 5.68 -1.26 -5.05 116.55 105.52 1rax n ASP 84 Ca 0.05 -1.19 -0.42 0.00 -0.50 0.00 0.00 54.79 52.73 1rax n ASP 84 Cb 0.26 -0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.17 1rax n ASP 84 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1rax s ARG 85 N -0.18 3.66 -0.03 0.11 3.00 -1.22 -5.02 118.95 119.27 1rax s ARG 85 Ca 0.00 0.09 0.07 0.00 -1.00 0.00 0.00 55.73 54.89 1rax s ARG 85 Cb 0.00 -3.82 -0.02 0.00 0.00 0.00 0.00 34.95 31.11 1rax s ARG 85 CO 0.00 -0.80 -0.25 0.15 0.00 0.00 0.00 175.30 174.40 1rax s LYS 86 N 2.84 2.18 0.29 5.12 3.01 -1.26 -1.65 119.74 130.27 1rax s LYS 86 Ca 0.26 -0.91 0.08 0.00 -1.01 0.00 0.00 55.97 54.40 1rax s LYS 86 Cb -0.14 -2.08 -0.04 0.00 -1.01 0.00 0.00 37.83 34.56 1rax s LYS 86 CO 0.16 0.55 0.13 -0.51 0.51 0.00 0.00 175.35 176.19 1rax s LEU 87 N -0.59 3.44 -0.09 3.17 1.02 0.30 -4.92 118.68 121.01 1rax s LEU 87 Ca 0.09 -0.54 0.01 0.00 0.02 0.00 0.00 54.13 53.71 1rax s LEU 87 Cb -0.10 -1.97 -0.02 0.00 0.02 0.00 0.00 46.19 44.11 1rax s LEU 87 CO -0.01 -0.14 -0.12 -0.75 0.02 0.00 0.00 176.35 175.36 1rax s LYS 88 N -3.81 3.00 -0.17 1.70 2.20 -1.26 -1.12 119.74 120.28 1rax s LYS 88 Ca 0.35 -0.66 -0.06 0.00 -0.36 0.00 0.00 55.97 55.23 1rax s LYS 88 Cb -0.06 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 1rax s LYS 88 CO 0.23 0.42 0.04 0.42 -0.36 0.00 0.00 175.35 176.10 1rax s ILE 89 N -0.19 4.56 1.00 5.43 1.01 -0.38 -4.97 121.20 127.66 1rax s ILE 89 Ca 0.01 -0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 1rax s ILE 89 Cb -0.13 -3.03 0.19 0.00 0.01 0.00 0.00 42.46 39.49 1rax s ILE 89 CO 0.03 0.48 1.09 -2.16 0.00 0.00 0.00 174.94 174.38 1rax s PRO 90 N 0.26 0.41 0.45 2.79 0.04 -1.26 -4.43 135.00 133.25 1rax s PRO 90 Ca 0.02 0.59 0.18 0.00 0.04 0.00 0.00 61.00 61.84 1rax s PRO 90 Cb -0.13 -1.73 1.13 0.00 0.04 0.00 0.00 34.50 33.82 1rax s PRO 90 CO 0.01 -2.76 1.91 1.49 0.04 0.00 0.00 177.00 177.69 1rax h GLU 91 N -1.92 0.32 -0.17 4.56 4.81 -2.00 -3.03 114.58 117.16 1rax h GLU 91 Ca -0.54 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 58.48 1rax h GLU 91 Cb 1.32 -0.07 -0.29 0.00 0.63 0.00 0.00 28.75 30.34 1rax h GLU 91 CO 0.56 0.21 -0.88 -1.71 -0.73 0.00 0.00 179.01 176.47 1rax n ASN 92 N -4.46 1.78 -4.65 1.04 5.15 -1.26 -3.69 115.26 109.17 1rax n ASN 92 Ca 0.15 -2.74 -0.43 0.00 -0.60 0.00 0.00 54.58 50.97 1rax n ASN 92 Cb 0.61 -0.40 -0.02 0.00 -0.53 0.00 0.00 39.78 39.44 1rax n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rax s ALA 93 N -2.03 3.60 -0.41 5.20 0.00 -1.14 -4.94 121.76 122.03 1rax s ALA 93 Ca 0.36 0.01 -0.32 0.00 0.00 0.00 0.00 51.96 52.01 1rax s ALA 93 Cb 0.37 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.84 1rax s ALA 93 CO -0.09 -1.21 2.28 0.09 0.00 0.00 0.00 175.76 176.83 1rax n ASN 94 N 6.48 2.19 -0.31 0.00 3.02 -1.26 -4.09 115.26 121.29 1rax n ASN 94 Ca 0.11 0.19 0.05 0.00 -0.03 0.00 0.00 54.58 54.89 1rax n ASN 94 Cb 0.47 -1.34 0.20 0.00 -0.61 0.00 0.00 39.78 38.49 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 7.30 0.88 -0.94 2.41 2.07 -1.74 0.47 116.25 126.70 1rax h VAL 95 Ca -0.27 -0.28 0.25 0.00 0.82 0.00 0.00 66.70 67.22 1rax h VAL 95 Cb 1.30 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1rax h VAL 95 CO 1.07 0.15 0.64 0.15 0.02 0.00 0.00 177.57 179.60 1rax h PHE 96 N 0.82 0.27 -0.05 1.57 3.04 -1.84 -2.90 116.94 117.85 1rax h PHE 96 Ca 0.43 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.39 1rax h PHE 96 Cb 0.44 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1rax h PHE 96 CO -0.05 0.05 0.00 0.66 -2.02 0.00 0.00 178.31 176.95 1rax n TYR 97 N -4.39 0.07 -0.07 0.41 4.01 0.12 -4.70 117.16 112.60 1rax n TYR 97 Ca 0.20 -0.44 0.03 0.00 -0.16 0.00 0.00 57.90 57.53 1rax n TYR 97 Cb 0.88 -0.04 0.08 0.00 -0.31 0.00 0.00 39.34 39.95 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 -0.28 2.11 -2.82 -0.72 0.00 0.11 -4.91 120.51 114.01 1rax n ALA 98 Ca 0.02 -1.05 -0.32 0.00 0.00 0.00 0.00 53.44 52.09 1rax n ALA 98 Cb 0.25 -0.23 -0.15 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.97 2.80 -0.94 0.00 0.00 -1.25 -4.89 119.30 114.05 1rax s MET 99 Ca 0.12 -0.81 -0.24 0.00 0.00 0.00 0.00 55.69 54.76 1rax s MET 99 Cb 0.06 -2.33 -0.23 0.00 0.00 0.00 0.00 34.83 32.33 1rax s MET 99 CO 0.08 0.37 2.50 0.09 0.00 0.00 0.00 175.02 178.06 1rax n ASN 100 N 3.02 0.08 0.30 -1.18 3.02 -1.26 -4.73 115.26 114.50 1rax n ASN 100 Ca -0.18 -0.19 0.15 0.00 -0.03 0.00 0.00 54.58 54.34 1rax n ASN 100 Cb 0.52 -0.92 0.92 0.00 -0.61 0.00 0.00 39.78 39.70 1rax n ASN 100 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1rax h SER 101 N 12.55 0.00 0.00 6.41 0.87 -1.96 -0.21 113.55 131.21 1rax h SER 101 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1rax h SER 101 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1rax h SER 101 CO 1.41 0.01 0.00 1.07 -0.53 0.00 0.00 176.83 178.79 1rax n THR 102 N -3.78 0.00 -4.28 2.23 5.66 -1.26 -4.84 114.28 108.00 1rax n THR 102 Ca -0.03 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.81 1rax n THR 102 Cb 0.09 -0.25 -0.09 0.00 -1.55 0.00 0.00 70.33 68.53 1rax n THR 102 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rax s ALA 103 N -1.51 1.67 0.65 1.79 0.00 -0.09 -5.08 121.76 119.19 1rax s ALA 103 Ca 0.00 -1.80 -0.13 0.00 0.00 0.00 0.00 51.96 50.03 1rax s ALA 103 Cb 0.00 1.26 -0.01 0.00 0.00 0.00 0.00 23.12 24.37 1rax s ALA 103 CO 0.00 -0.55 1.06 -0.80 0.00 0.00 0.00 175.76 175.47 1rax s ASN 104 N -3.30 5.53 -0.92 0.00 0.01 -1.26 -4.93 114.94 110.07 1rax s ASN 104 Ca 0.38 1.73 -0.06 0.00 -0.71 0.00 0.00 52.86 54.20 1rax s ASN 104 Cb 0.06 -2.52 0.01 0.00 0.41 0.00 0.00 41.25 39.21 1rax s ASN 104 CO 0.17 -1.34 2.79 -1.22 -1.51 0.00 0.00 177.10 175.99 1rax n TYR 105 N -2.61 1.87 -4.18 2.20 4.01 -1.26 -4.70 117.16 112.50 1rax n TYR 105 Ca 0.08 -2.41 -0.34 0.00 -0.16 0.00 0.00 57.90 55.07 1rax n TYR 105 Cb 0.53 -1.78 -0.08 0.00 -0.31 0.00 0.00 39.34 37.70 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 0.93 5.58 0.01 7.72 1.01 -1.26 -1.62 116.67 129.04 1rax s ASP 106 Ca 0.60 0.18 -0.01 0.00 0.71 0.00 0.00 52.55 54.04 1rax s ASP 106 Cb 0.26 -1.61 -0.01 0.00 1.01 0.00 0.00 42.92 42.57 1rax s ASP 106 CO -0.11 0.33 -0.01 -0.36 0.21 0.00 0.00 175.17 175.23 1rax s PHE 107 N -1.05 0.19 -0.11 4.23 0.40 0.15 -0.97 117.98 120.82 1rax s PHE 107 Ca 0.18 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.16 1rax s PHE 107 Cb -0.12 -0.14 0.00 0.00 0.51 0.00 0.00 43.02 43.28 1rax s PHE 107 CO 0.08 -0.16 -0.23 0.08 0.70 0.00 0.00 175.22 175.70 1rax s VAL 108 N -1.15 2.00 -0.37 -0.44 1.01 0.58 -1.39 120.40 120.64 1rax s VAL 108 Ca -0.13 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.78 1rax s VAL 108 Cb -0.08 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.60 1rax s VAL 108 CO -0.01 0.54 0.19 -0.22 0.00 0.00 0.00 175.10 175.60 1rax s LEU 109 N 0.46 4.65 0.19 3.92 2.96 0.06 -1.04 118.68 129.88 1rax s LEU 109 Ca -0.16 -1.04 0.11 0.00 -0.22 0.00 0.00 54.13 52.82 1rax s LEU 109 Cb -0.17 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1rax s LEU 109 CO 0.06 -0.38 -0.20 -0.75 -1.32 0.00 0.00 176.35 173.77 1rax s LYS 110 N 1.52 1.69 0.19 1.98 2.20 -0.80 -1.42 119.74 125.10 1rax s LYS 110 Ca 0.01 -1.44 -0.23 0.00 -0.36 0.00 0.00 55.97 53.95 1rax s LYS 110 Cb -0.19 -1.95 -0.08 0.00 -1.51 0.00 0.00 37.83 34.10 1rax s LYS 110 CO 0.06 0.41 0.75 0.21 -0.36 0.00 0.00 175.35 176.42 1rax s LYS 111 N -2.70 4.44 -0.62 4.03 2.20 -1.26 -0.05 119.74 125.77 1rax s LYS 111 Ca 0.22 1.04 -0.07 0.00 -0.36 0.00 0.00 55.97 56.80 1rax s LYS 111 Cb -0.08 -3.11 -0.16 0.00 -1.51 0.00 0.00 37.83 32.97 1rax s LYS 111 CO 0.11 0.50 3.28 -2.13 -0.36 0.00 0.00 175.35 176.76 1rax n ARG 112 N 1.26 2.71 -4.31 4.03 3.00 -0.11 -4.73 116.66 118.51 1rax n ARG 112 Ca -0.05 -1.62 -0.28 0.00 -0.00 0.00 0.00 57.85 55.90 1rax n ARG 112 Cb 0.50 -2.30 -0.11 0.00 0.00 0.00 0.00 32.46 30.55 1rax n ARG 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1rax s THR 113 N 0.98 2.89 -0.30 5.15 2.01 -1.26 -4.88 115.64 120.23 1rax s THR 113 Ca 0.67 -1.62 -0.09 0.00 0.31 0.00 0.00 61.69 60.96 1rax s THR 113 Cb 0.27 -2.37 0.16 0.00 0.01 0.00 0.00 72.50 70.58 1rax s THR 113 CO -0.04 0.01 0.74 0.12 -0.69 0.00 0.00 174.62 174.75 1rax s PHE 114 N -1.38 -1.22 -2.06 4.92 5.36 -1.26 -5.18 117.98 117.15 1rax s PHE 114 Ca 0.20 1.77 0.31 0.00 -0.96 0.00 0.00 56.93 58.26 1rax s PHE 114 Cb -0.10 0.60 1.80 0.00 -0.34 0.00 0.00 43.02 44.99 1rax s PHE 114 CO 0.12 -0.63 2.17 2.41 -1.46 0.00 0.00 175.22 177.82