#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dnj s LEU 40 N 0.00 3.77 -0.05 -3.43 1.43 -1.26 -4.36 118.68 114.78 3dnj s LEU 40 Ca 0.00 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 3dnj s LEU 40 Cb 0.00 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.78 3dnj s LEU 40 CO 0.00 -0.38 -0.08 -0.31 0.23 0.00 0.00 176.35 175.81 3dnj s TYR 41 N -2.24 1.01 0.05 0.29 1.51 0.53 -0.47 117.35 118.02 3dnj s TYR 41 Ca 0.43 -0.32 -0.20 0.00 -1.01 0.00 0.00 57.07 55.97 3dnj s TYR 41 Cb -0.07 -0.79 -0.06 0.00 -0.11 0.00 0.00 41.96 40.92 3dnj s TYR 41 CO 0.29 -0.20 0.58 -0.98 -1.11 0.00 0.00 175.55 174.13 3dnj s ARG 42 N 0.67 4.24 -0.16 -0.62 1.70 0.37 -1.19 118.95 123.97 3dnj s ARG 42 Ca -0.11 0.74 -0.13 0.00 -0.47 0.00 0.00 55.73 55.76 3dnj s ARG 42 Cb -0.14 -3.27 -0.05 0.00 -0.57 0.00 0.00 34.95 30.92 3dnj s ARG 42 CO 0.01 0.55 0.26 0.08 -1.08 0.00 0.00 175.30 175.12 3dnj s VAL 43 N -0.79 5.32 0.03 4.99 1.01 -0.14 -1.24 120.40 129.58 3dnj s VAL 43 Ca 0.30 0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.84 3dnj s VAL 43 Cb -0.19 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 3dnj s VAL 43 CO 0.18 0.42 -0.21 -0.76 0.00 0.00 0.00 175.10 174.73 3dnj s LEU 44 N 0.31 2.42 0.11 3.92 1.43 0.21 -0.18 118.68 126.91 3dnj s LEU 44 Ca 0.15 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 52.87 3dnj s LEU 44 Cb -0.13 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 3dnj s LEU 44 CO 0.03 0.27 -0.14 0.27 0.23 0.00 0.00 176.35 177.01 3dnj s ILE 45 N -0.84 3.09 0.02 -0.59 -4.36 -0.80 -1.24 121.20 116.48 3dnj s ILE 45 Ca 0.13 -1.41 0.03 0.00 -0.26 0.00 0.00 60.65 59.14 3dnj s ILE 45 Cb -0.10 -2.44 -0.04 0.00 1.25 0.00 0.00 42.46 41.13 3dnj s ILE 45 CO 0.03 0.09 -0.02 -0.76 0.24 0.00 0.00 174.94 174.52 3dnj s LEU 46 N -2.21 3.38 0.57 0.37 2.01 -0.75 -1.97 118.68 120.08 3dnj s LEU 46 Ca 0.20 -0.09 -0.19 0.00 0.01 0.00 0.00 54.13 54.06 3dnj s LEU 46 Cb -0.11 -1.97 -0.05 0.00 0.01 0.00 0.00 46.19 44.07 3dnj s LEU 46 CO 0.12 0.26 1.15 0.21 1.01 0.00 0.00 176.35 179.10 3dnj s ASN 47 N -1.63 5.53 0.28 2.29 2.47 -0.17 -4.47 114.94 119.24 3dnj s ASN 47 Ca 0.20 2.22 -0.09 0.00 0.42 0.00 0.00 52.86 55.61 3dnj s ASN 47 Cb -0.11 -2.58 -0.00 0.00 -1.45 0.00 0.00 41.25 37.10 3dnj s ASN 47 CO 0.11 -1.35 0.46 1.51 -3.72 0.00 0.00 177.10 174.11 3dnj s ASP 48 N -1.79 0.24 -0.08 -4.21 1.47 -1.26 -4.96 116.67 106.08 3dnj s ASP 48 Ca 0.74 -1.15 0.19 0.00 1.18 0.00 0.00 52.55 53.50 3dnj s ASP 48 Cb -0.25 0.60 0.68 0.00 -0.34 0.00 0.00 42.92 43.61 3dnj s ASP 48 CO 0.30 -1.19 1.58 0.47 0.68 0.00 0.00 175.17 177.01 3dnj n ASP 49 N -0.74 4.40 -0.00 2.11 8.00 -1.26 -4.49 116.55 124.58 3dnj n ASP 49 Ca -0.01 -2.32 -0.00 0.00 0.71 0.00 0.00 54.79 53.17 3dnj n ASP 49 Cb 0.62 -0.55 -0.00 0.00 -0.02 0.00 0.00 41.12 41.17 3dnj n ASP 49 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3dnj n TYR 50 N 1.21 0.00 -1.78 1.24 4.01 -1.26 -5.04 117.16 115.54 3dnj n TYR 50 Ca 0.25 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.57 3dnj n TYR 50 Cb 0.80 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.78 3dnj n TYR 50 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3dnj s THR 51 N -2.01 2.38 0.46 -0.72 2.01 -1.26 -4.92 115.64 111.58 3dnj s THR 51 Ca -0.01 0.15 -0.23 0.00 0.31 0.00 0.00 61.69 61.91 3dnj s THR 51 Cb 0.00 -3.10 -0.07 0.00 0.01 0.00 0.00 72.50 69.34 3dnj s THR 51 CO 0.01 0.01 1.17 -2.16 -0.69 0.00 0.00 174.62 172.96 3dnj s PRO 52 N 1.77 3.77 0.26 4.92 0.04 -1.26 -4.91 135.00 139.60 3dnj s PRO 52 Ca 0.76 1.79 -0.01 0.00 0.04 0.00 0.00 61.00 63.58 3dnj s PRO 52 Cb -0.47 -2.43 0.52 0.00 0.04 0.00 0.00 34.50 32.16 3dnj s PRO 52 CO 0.33 -0.54 1.78 0.52 0.04 0.00 0.00 177.00 179.13 3dnj h MET 53 N 2.10 0.68 -0.23 4.56 2.86 -1.99 -1.96 114.93 120.95 3dnj h MET 53 Ca -0.49 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.05 3dnj h MET 53 Cb 1.25 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 3dnj h MET 53 CO 0.60 0.45 -0.09 0.93 1.06 0.00 0.00 176.91 179.86 3dnj h GLU 54 N 0.70 0.36 -0.38 1.72 4.39 -2.00 -1.67 114.58 117.71 3dnj h GLU 54 Ca 0.46 -0.09 -0.14 0.00 0.34 0.00 0.00 59.36 59.94 3dnj h GLU 54 Cb 0.60 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 3dnj h GLU 54 CO -0.33 0.47 -0.32 0.35 -1.16 0.00 0.00 179.01 178.02 3dnj h PHE 55 N 0.35 0.99 -0.52 4.33 3.57 -1.74 -1.49 116.94 122.43 3dnj h PHE 55 Ca 0.07 -0.27 -0.02 0.00 3.53 0.00 0.00 57.97 61.28 3dnj h PHE 55 Cb 0.38 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3dnj h PHE 55 CO 0.01 1.05 0.24 0.28 -2.23 0.00 0.00 178.31 177.66 3dnj h VAL 56 N 0.71 1.20 -0.42 1.41 2.07 -1.10 -0.02 116.25 120.09 3dnj h VAL 56 Ca 0.07 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.03 3dnj h VAL 56 Cb 0.88 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3dnj h VAL 56 CO 0.08 0.23 0.25 0.58 0.02 0.00 0.00 177.57 178.73 3dnj h VAL 57 N 0.69 1.05 -0.59 2.57 2.07 -1.25 -1.30 116.25 119.50 3dnj h VAL 57 Ca 0.18 -0.17 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3dnj h VAL 57 Cb 0.14 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 3dnj h VAL 57 CO -0.02 0.09 0.28 0.22 0.02 0.00 0.00 177.57 178.16 3dnj h TYR 58 N 0.51 0.50 -0.49 1.57 3.20 -0.83 -1.11 116.97 120.32 3dnj h TYR 58 Ca 0.16 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3dnj h TYR 58 Cb -0.00 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3dnj h TYR 58 CO -0.07 0.20 0.26 0.28 -1.64 0.00 0.00 178.16 177.19 3dnj h VAL 59 N 0.51 1.17 -0.68 1.81 2.07 -0.64 0.42 116.25 120.92 3dnj h VAL 59 Ca 0.28 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3dnj h VAL 59 Cb 0.25 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3dnj h VAL 59 CO -0.22 0.19 0.21 -0.07 0.02 0.00 0.00 177.57 177.69 3dnj h LEU 60 N 0.64 0.97 -0.32 2.57 3.38 -0.78 -0.35 115.31 121.42 3dnj h LEU 60 Ca 0.17 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3dnj h LEU 60 Cb 0.07 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3dnj h LEU 60 CO -0.03 0.91 -0.47 -0.33 0.09 0.00 0.00 178.44 178.61 3dnj h GLU 61 N 1.00 0.89 -0.01 1.13 5.08 -1.00 -2.46 114.58 119.22 3dnj h GLU 61 Ca 0.22 -0.52 -0.16 0.00 -1.00 0.00 0.00 59.36 57.89 3dnj h GLU 61 Cb 0.29 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.60 3dnj h GLU 61 CO -0.01 1.17 -0.63 -0.09 -1.00 0.00 0.00 179.01 178.44 3dnj h ARG 62 N 0.68 0.44 0.00 2.33 2.43 -0.64 -3.29 114.38 116.33 3dnj h ARG 62 Ca 0.03 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3dnj h ARG 62 Cb 1.07 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3dnj h ARG 62 CO 0.11 1.12 -1.36 1.19 -1.51 0.00 0.00 179.97 179.52 3dnj n PHE 63 N -4.19 0.00 -0.62 2.20 3.72 -0.16 -4.60 117.46 113.81 3dnj n PHE 63 Ca -0.10 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.32 3dnj n PHE 63 Cb 0.69 -0.23 0.04 0.00 -0.94 0.00 0.00 39.48 39.03 3dnj n PHE 63 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3dnj n PHE 64 N -1.80 0.00 -2.95 1.38 3.72 -0.95 -5.01 117.46 111.85 3dnj n PHE 64 Ca -0.01 -0.51 -0.21 0.00 -0.05 0.00 0.00 57.45 56.68 3dnj n PHE 64 Cb 0.35 -0.07 0.01 0.00 -0.94 0.00 0.00 39.48 38.84 3dnj n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3dnj n ASN 65 N -0.62 -4.99 -4.80 4.37 5.15 -1.17 -4.94 115.26 108.25 3dnj n ASN 65 Ca 0.04 -0.20 -0.38 0.00 -0.60 0.00 0.00 54.58 53.44 3dnj n ASN 65 Cb 0.43 -4.10 -0.06 0.00 -0.53 0.00 0.00 39.78 35.52 3dnj n ASN 65 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3dnj s LYS 66 N -5.60 4.38 0.94 1.20 -0.14 -1.04 -5.01 119.74 114.46 3dnj s LYS 66 Ca 0.24 0.97 -0.11 0.00 -1.36 0.00 0.00 55.97 55.71 3dnj s LYS 66 Cb -0.12 -3.09 0.15 0.00 -1.68 0.00 0.00 37.83 33.10 3dnj s LYS 66 CO 0.30 0.50 1.10 -1.54 -0.76 0.00 0.00 175.35 174.95 3dnj s SER 67 N -1.37 2.97 0.19 2.83 1.04 -1.26 -4.40 113.70 113.70 3dnj s SER 67 Ca 0.38 1.76 -0.11 0.00 0.48 0.00 0.00 55.95 58.45 3dnj s SER 67 Cb -0.20 -2.37 0.16 0.00 0.10 0.00 0.00 66.02 63.71 3dnj s SER 67 CO 0.23 -3.00 1.83 -0.09 0.98 0.00 0.00 173.24 173.19 3dnj h ARG 68 N -1.80 0.71 -0.35 4.02 9.65 -1.98 0.93 114.38 125.56 3dnj h ARG 68 Ca -0.49 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.30 3dnj h ARG 68 Cb 1.28 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.69 3dnj h ARG 68 CO 0.49 0.47 0.03 1.49 2.80 0.00 0.00 179.97 185.26 3dnj h GLU 69 N 0.73 0.60 -0.47 0.20 4.81 -1.99 -0.99 114.58 117.46 3dnj h GLU 69 Ca 0.25 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 3dnj h GLU 69 Cb 0.04 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3dnj h GLU 69 CO -0.11 0.69 -0.20 -0.44 -0.73 0.00 0.00 179.01 178.22 3dnj h ASP 70 N 0.42 0.97 -0.69 1.04 3.32 -1.83 -1.32 116.42 118.34 3dnj h ASP 70 Ca 0.10 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 3dnj h ASP 70 Cb 0.40 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3dnj h ASP 70 CO 0.01 1.14 0.40 0.00 -1.72 0.00 0.00 179.24 179.06 3dnj h ALA 71 N 0.93 0.88 -0.33 3.45 0.00 -0.72 -0.59 119.26 122.88 3dnj h ALA 71 Ca 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3dnj h ALA 71 Cb 0.76 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3dnj h ALA 71 CO 0.06 0.37 0.12 1.15 0.00 0.00 0.00 179.25 180.95 3dnj h THR 72 N 0.94 1.19 -0.64 0.00 2.02 -0.93 -1.03 112.91 114.45 3dnj h THR 72 Ca 0.24 -0.60 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 3dnj h THR 72 Cb 0.00 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3dnj h THR 72 CO -0.04 0.21 0.08 0.03 0.37 0.00 0.00 175.52 176.16 3dnj h ARG 73 N 0.37 1.07 -0.29 6.66 3.08 -1.00 -1.38 114.38 122.90 3dnj h ARG 73 Ca 0.11 -0.29 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 3dnj h ARG 73 Cb 0.21 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3dnj h ARG 73 CO -0.01 1.00 -0.06 0.82 -1.07 0.00 0.00 179.97 180.65 3dnj h ILE 74 N 1.00 1.28 -0.65 2.04 2.04 -1.00 -0.36 117.51 121.87 3dnj h ILE 74 Ca 0.19 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 65.06 3dnj h ILE 74 Cb 0.46 1.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 3dnj h ILE 74 CO 0.02 0.34 0.30 -0.03 0.00 0.00 0.00 178.15 178.78 3dnj h MET 75 N 0.32 0.52 -0.30 2.37 4.05 -1.04 -0.78 114.93 120.08 3dnj h MET 75 Ca 0.08 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.32 3dnj h MET 75 Cb 0.53 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 3dnj h MET 75 CO 0.03 0.35 -0.39 -0.07 0.23 0.00 0.00 176.91 177.05 3dnj h LEU 76 N 0.54 0.75 -0.97 3.39 3.38 -1.04 -1.04 115.31 120.32 3dnj h LEU 76 Ca 0.31 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3dnj h LEU 76 Cb 0.32 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3dnj h LEU 76 CO -0.25 1.05 0.63 -0.74 0.09 0.00 0.00 178.44 179.21 3dnj h HIS 77 N 0.58 1.23 -0.31 1.13 2.76 -0.45 -0.56 115.15 119.52 3dnj h HIS 77 Ca 0.05 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.14 3dnj h HIS 77 Cb 0.92 -0.41 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 3dnj h HIS 77 CO 0.05 0.79 -0.20 0.28 -1.30 0.00 0.00 177.93 177.55 3dnj h VAL 78 N 1.32 1.29 -0.96 5.26 2.07 -0.86 0.37 116.25 124.74 3dnj h VAL 78 Ca 0.35 -1.33 0.10 0.00 0.82 0.00 0.00 66.70 66.65 3dnj h VAL 78 Cb -0.13 1.47 -0.08 0.00 -1.52 0.00 0.00 31.29 31.03 3dnj h VAL 78 CO -0.07 0.43 0.60 -0.74 0.02 0.00 0.00 177.57 177.80 3dnj h HIS 79 N 0.45 1.10 0.06 1.57 6.17 -0.85 0.22 115.15 123.86 3dnj h HIS 79 Ca 0.06 0.03 -0.27 0.00 0.71 0.00 0.00 60.37 60.91 3dnj h HIS 79 Cb 0.74 -0.35 -0.02 0.00 2.52 0.00 0.00 27.41 30.30 3dnj h HIS 79 CO 0.06 0.47 -1.33 1.96 0.71 0.00 0.00 177.93 179.81 3dnj h GLN 80 N 1.00 0.13 0.00 5.26 4.20 -0.85 -3.39 115.11 121.46 3dnj h GLN 80 Ca 0.46 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3dnj h GLN 80 Cb 0.37 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3dnj h GLN 80 CO -0.24 1.00 -0.44 0.09 -0.67 0.00 0.00 178.83 178.57 3dnj n ASN 81 N -3.37 0.99 0.00 1.46 4.13 0.10 -5.02 115.26 113.55 3dnj n ASN 81 Ca -0.09 -0.49 0.00 0.00 1.68 0.00 0.00 54.58 55.68 3dnj n ASN 81 Cb 1.01 1.05 0.00 0.00 -1.54 0.00 0.00 39.78 40.30 3dnj n ASN 81 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dnj n GLY 82 N 1.35 3.26 3.48 7.41 0.00 0.75 -4.99 105.19 116.44 3dnj n GLY 82 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 3dnj n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dnj s VAL 83 N -2.90 0.00 0.14 1.61 0.11 -1.24 -1.00 120.40 117.12 3dnj s VAL 83 Ca 0.00 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.80 3dnj s VAL 83 Cb 0.00 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.92 3dnj s VAL 83 CO 0.00 0.00 0.78 -0.83 -3.33 0.00 0.00 175.10 171.72 3dnj s GLY 84 N -1.94 -0.38 -0.18 6.54 0.00 -0.83 -4.33 107.32 106.19 3dnj s GLY 84 Ca -0.05 0.39 -0.13 0.00 0.00 0.00 0.00 44.72 44.93 3dnj s GLY 84 CO -0.01 0.12 0.27 0.14 0.00 0.00 0.00 173.10 173.62 3dnj s VAL 85 N -3.52 5.31 -0.13 1.40 1.01 -1.26 -1.90 120.40 121.32 3dnj s VAL 85 Ca 0.07 0.48 0.15 0.00 0.00 0.00 0.00 61.98 62.67 3dnj s VAL 85 Cb -0.02 -3.61 -0.24 0.00 0.00 0.00 0.00 36.38 32.51 3dnj s VAL 85 CO -0.04 0.36 0.34 0.00 0.00 0.00 0.00 175.10 175.76 3dnj n GLY 87 N 1.67 0.65 2.95 0.00 0.00 -1.24 -4.87 105.19 104.35 3dnj n GLY 87 Ca -0.26 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 3dnj n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dnj s VAL 88 N -2.00 0.78 0.23 1.61 1.01 -1.26 -0.97 120.40 119.80 3dnj s VAL 88 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 3dnj s VAL 88 Cb 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3dnj s VAL 88 CO 0.00 0.28 0.32 -0.31 0.00 0.00 0.00 175.10 175.39 3dnj s TYR 89 N 0.78 0.75 0.91 5.22 2.02 -0.33 -4.92 117.35 121.78 3dnj s TYR 89 Ca -0.13 -1.04 -0.10 0.00 -0.37 0.00 0.00 57.07 55.42 3dnj s TYR 89 Cb -0.15 -0.16 0.14 0.00 -0.40 0.00 0.00 41.96 41.39 3dnj s TYR 89 CO 0.02 -0.84 1.13 0.95 -1.57 0.00 0.00 175.55 175.23 3dnj s THR 90 N -4.05 2.32 0.16 -0.71 -4.23 -1.26 -0.35 115.64 107.52 3dnj s THR 90 Ca 0.30 0.10 -0.18 0.00 -1.18 0.00 0.00 61.69 60.74 3dnj s THR 90 Cb 0.03 -2.23 0.08 0.00 1.34 0.00 0.00 72.50 71.72 3dnj s THR 90 CO 0.11 -0.13 1.67 0.22 -0.54 0.00 0.00 174.62 175.94 3dnj h TYR 91 N -1.78 -0.23 -0.05 3.99 3.20 -1.93 0.69 116.97 120.86 3dnj h TYR 91 Ca -0.45 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.31 3dnj h TYR 91 Cb 1.27 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.68 3dnj h TYR 91 CO 0.50 -0.17 -0.62 0.93 -1.64 0.00 0.00 178.16 177.15 3dnj h GLU 92 N -0.02 0.20 -0.30 1.82 3.07 -1.97 -0.80 114.58 116.58 3dnj h GLU 92 Ca 0.18 -0.14 -0.16 0.00 -0.50 0.00 0.00 59.36 58.74 3dnj h GLU 92 Cb 0.29 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3dnj h GLU 92 CO -0.39 0.76 -0.44 0.28 -1.40 0.00 0.00 179.01 177.81 3dnj h VAL 93 N 0.14 1.28 -0.69 3.13 2.07 -1.79 -1.85 116.25 118.55 3dnj h VAL 93 Ca -0.01 -1.62 0.03 0.00 0.82 0.00 0.00 66.70 65.92 3dnj h VAL 93 Cb 1.13 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 3dnj h VAL 93 CO 0.09 0.53 0.43 0.00 0.02 0.00 0.00 177.57 178.64 3dnj h ALA 94 N 0.70 0.91 -0.70 1.67 0.00 -0.61 -0.16 119.26 121.07 3dnj h ALA 94 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3dnj h ALA 94 Cb 1.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3dnj h ALA 94 CO 0.10 0.19 0.34 0.93 0.00 0.00 0.00 179.25 180.81 3dnj h GLU 95 N 0.83 0.99 -0.22 0.00 5.08 -1.03 -1.05 114.58 119.18 3dnj h GLU 95 Ca 0.28 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3dnj h GLU 95 Cb 0.04 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 3dnj h GLU 95 CO -0.12 0.76 0.10 1.15 -1.00 0.00 0.00 179.01 179.90 3dnj h THR 96 N 0.98 1.14 -0.43 1.13 2.02 -0.57 -1.62 112.91 115.58 3dnj h THR 96 Ca 0.24 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 3dnj h THR 96 Cb 0.09 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3dnj h THR 96 CO -0.03 0.14 0.22 0.11 0.37 0.00 0.00 175.52 176.33 3dnj h LYS 97 N 0.22 0.60 -0.34 6.66 1.79 -0.66 0.27 116.57 125.12 3dnj h LYS 97 Ca 0.07 -0.08 0.05 0.00 -2.18 0.00 0.00 60.65 58.51 3dnj h LYS 97 Cb 0.13 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.63 3dnj h LYS 97 CO -0.01 0.50 0.08 0.28 -1.08 0.00 0.00 179.45 179.22 3dnj h VAL 98 N 0.55 0.85 -0.64 0.50 2.07 -1.11 -0.74 116.25 117.74 3dnj h VAL 98 Ca 0.15 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 3dnj h VAL 98 Cb 0.08 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3dnj h VAL 98 CO -0.02 0.04 0.26 0.00 0.02 0.00 0.00 177.57 177.86 3dnj h ALA 99 N 1.24 0.83 -0.65 1.67 0.00 -0.95 -1.58 119.26 119.82 3dnj h ALA 99 Ca 0.16 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3dnj h ALA 99 Cb 0.17 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3dnj h ALA 99 CO -0.20 0.44 0.20 1.96 0.00 0.00 0.00 179.25 181.66 3dnj h GLN 100 N 0.89 0.99 -0.28 0.00 4.20 -0.50 -0.56 115.11 119.85 3dnj h GLN 100 Ca 0.21 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 3dnj h GLN 100 Cb 0.20 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3dnj h GLN 100 CO -0.02 0.85 -0.00 0.28 -0.67 0.00 0.00 178.83 179.27 3dnj h VAL 101 N 0.96 1.26 -0.19 -0.54 2.07 -0.80 -1.17 116.25 117.84 3dnj h VAL 101 Ca 0.21 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 3dnj h VAL 101 Cb 0.27 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3dnj h VAL 101 CO -0.01 0.30 0.09 0.40 0.02 0.00 0.00 177.57 178.37 3dnj h ILE 102 N 0.28 1.14 -0.16 4.57 1.08 -1.08 0.14 117.51 123.48 3dnj h ILE 102 Ca 0.08 -0.39 0.04 0.00 -0.39 0.00 0.00 64.86 64.20 3dnj h ILE 102 Cb 0.43 1.05 -0.05 0.00 -3.07 0.00 0.00 36.82 35.19 3dnj h ILE 102 CO 0.01 0.13 -0.14 -0.78 -0.69 0.00 0.00 178.15 176.69 3dnj h ASP 103 N 0.17 -0.43 -0.12 1.72 3.58 -1.10 -0.65 116.42 119.58 3dnj h ASP 103 Ca 0.06 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.60 3dnj h ASP 103 Cb 0.13 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 3dnj h ASP 103 CO -0.01 -0.18 0.08 -1.28 -2.88 0.00 0.00 179.24 174.97 3dnj h SER 104 N -0.15 0.13 -0.16 2.28 0.87 -1.01 -1.70 113.55 113.80 3dnj h SER 104 Ca 0.10 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3dnj h SER 104 Cb 0.30 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 3dnj h SER 104 CO -0.25 0.10 0.06 0.00 -0.53 0.00 0.00 176.83 176.21 3dnj h ALA 105 N 1.05 0.18 -0.42 6.23 0.00 -0.38 -1.20 119.26 124.72 3dnj h ALA 105 Ca 0.05 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3dnj h ALA 105 Cb -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3dnj h ALA 105 CO -0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 179.25 178.76 3dnj h ARG 106 N 0.15 0.74 0.00 0.00 2.47 -1.05 -0.36 114.38 116.33 3dnj h ARG 106 Ca 0.07 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 3dnj h ARG 106 Cb 0.03 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 3dnj h ARG 106 CO -0.06 0.82 0.00 0.00 0.56 0.00 0.00 179.97 181.29 3dnj h ARG 107 N 0.68 0.00 -0.59 0.04 3.08 -0.97 -0.62 114.38 116.00 3dnj h ARG 107 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3dnj h ARG 107 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3dnj h ARG 107 CO 0.04 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.66 3dnj n HIS 108 N -2.97 0.79 -3.52 3.04 8.25 -0.48 -4.96 115.22 115.36 3dnj n HIS 108 Ca 0.01 -0.39 -0.22 0.00 -0.26 0.00 0.00 57.72 56.86 3dnj n HIS 108 Cb 0.28 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.47 3dnj n HIS 108 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3dnj n GLN 109 N 1.23 -7.43 -4.51 -0.41 3.00 -0.24 -5.03 117.38 103.99 3dnj n GLN 109 Ca 0.20 0.81 -0.25 0.00 -0.01 0.00 0.00 57.00 57.75 3dnj n GLN 109 Cb 0.50 -5.79 -0.14 0.00 0.00 0.00 0.00 30.24 24.81 3dnj n GLN 109 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 3dnj s HIS 110 N -3.32 1.78 -1.81 1.08 3.76 -0.23 -5.01 115.29 111.54 3dnj s HIS 110 Ca 0.42 -0.39 0.11 0.00 -0.15 0.00 0.00 55.06 55.06 3dnj s HIS 110 Cb -0.19 -1.03 0.36 0.00 1.11 0.00 0.00 32.58 32.83 3dnj s HIS 110 CO 0.71 0.13 1.27 -0.35 -0.85 0.00 0.00 174.74 175.65 3dnj n PRO 111 N 1.60 2.06 -1.54 8.40 -0.04 -1.26 -3.56 135.00 140.65 3dnj n PRO 111 Ca -0.18 -1.45 -0.58 0.00 -0.04 0.00 0.00 63.50 61.25 3dnj n PRO 111 Cb 0.53 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.53 3dnj n PRO 111 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3dnj n LEU 112 N 0.61 0.47 -4.80 1.53 7.94 -1.26 -4.94 117.00 116.54 3dnj n LEU 112 Ca 0.13 1.15 -0.36 0.00 -1.11 0.00 0.00 56.01 55.83 3dnj n LEU 112 Cb 0.39 -0.97 -0.07 0.00 0.53 0.00 0.00 43.42 43.29 3dnj n LEU 112 CO 0.10 -1.62 -0.21 -1.58 -1.11 0.00 0.00 177.39 172.97 3dnj s GLN 113 N 0.44 3.44 -0.01 1.96 0.74 -1.26 -4.83 119.66 120.13 3dnj s GLN 113 Ca 0.91 -0.22 -0.01 0.00 0.05 0.00 0.00 55.36 56.09 3dnj s GLN 113 Cb -1.23 -3.11 0.01 0.00 1.10 0.00 0.00 33.01 29.78 3dnj s GLN 113 CO 0.58 0.68 0.03 0.00 -0.55 0.00 0.00 175.29 176.03 3dnj n THR 115 N 3.25 0.00 -3.92 0.00 5.66 -0.37 -5.00 114.28 113.90 3dnj n THR 115 Ca -0.15 -0.91 -0.09 0.00 -3.05 0.00 0.00 64.05 59.86 3dnj n THR 115 Cb 0.58 0.58 -0.09 0.00 -1.55 0.00 0.00 70.33 69.86 3dnj n THR 115 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3dnj s MET 116 N -2.38 0.69 0.03 1.09 0.23 -1.26 -0.62 119.30 117.08 3dnj s MET 116 Ca 0.15 -0.89 -0.05 0.00 -1.03 0.00 0.00 55.69 53.86 3dnj s MET 116 Cb -0.01 0.27 -0.01 0.00 -1.53 0.00 0.00 34.83 33.56 3dnj s MET 116 CO 0.11 -0.19 0.09 -1.21 -2.03 0.00 0.00 175.02 171.79 3dnj s GLU 117 N -3.28 0.53 0.25 3.16 2.02 -0.37 -4.97 118.70 116.04 3dnj s GLU 117 Ca 0.01 -0.64 -0.31 0.00 0.02 0.00 0.00 54.97 54.05 3dnj s GLU 117 Cb 0.03 0.21 -0.14 0.00 0.10 0.00 0.00 34.13 34.33 3dnj s GLU 117 CO -0.08 -0.13 1.33 1.17 0.02 0.00 0.00 175.26 177.57 3dnj n LYS 118 N 1.04 1.88 0.00 1.61 3.00 -1.26 -0.48 118.16 123.94 3dnj n LYS 118 Ca -0.21 0.67 0.15 0.00 -0.00 0.00 0.00 58.31 58.92 3dnj n LYS 118 Cb 0.57 -2.27 0.90 0.00 0.00 0.00 0.00 35.03 34.23 3dnj n LYS 118 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93