#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dnj s TYR 41 N 0.00 1.27 0.02 -1.77 1.51 0.21 -0.73 117.35 117.86 3dnj s TYR 41 Ca 0.00 -0.41 -0.18 0.00 -1.01 0.00 0.00 57.07 55.47 3dnj s TYR 41 Cb 0.00 -0.93 -0.06 0.00 -0.11 0.00 0.00 41.96 40.86 3dnj s TYR 41 CO 0.00 -0.21 0.51 -0.98 -1.11 0.00 0.00 175.55 173.76 3dnj s ARG 42 N 0.49 4.14 -0.17 -0.62 1.70 0.28 -1.15 118.95 123.63 3dnj s ARG 42 Ca -0.10 0.60 -0.14 0.00 -0.47 0.00 0.00 55.73 55.62 3dnj s ARG 42 Cb -0.13 -3.27 -0.05 0.00 -0.57 0.00 0.00 34.95 30.93 3dnj s ARG 42 CO 0.02 0.56 0.31 0.08 -1.08 0.00 0.00 175.30 175.20 3dnj s VAL 43 N -0.78 5.29 0.01 4.99 1.01 -0.23 -1.39 120.40 129.30 3dnj s VAL 43 Ca 0.27 0.58 0.07 0.00 0.00 0.00 0.00 61.98 62.90 3dnj s VAL 43 Cb -0.18 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 3dnj s VAL 43 CO 0.16 0.37 -0.20 -0.76 0.00 0.00 0.00 175.10 174.67 3dnj s LEU 44 N 0.60 2.48 0.06 3.92 1.43 0.29 -0.32 118.68 127.15 3dnj s LEU 44 Ca 0.17 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.92 3dnj s LEU 44 Cb -0.13 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3dnj s LEU 44 CO 0.05 0.29 -0.09 0.27 0.23 0.00 0.00 176.35 177.09 3dnj s ILE 45 N -0.81 3.42 0.04 -0.59 -4.36 -0.81 -1.20 121.20 116.89 3dnj s ILE 45 Ca 0.13 -1.06 0.04 0.00 -0.26 0.00 0.00 60.65 59.50 3dnj s ILE 45 Cb -0.10 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 41.03 3dnj s ILE 45 CO 0.03 0.25 -0.04 -0.76 0.24 0.00 0.00 174.94 174.66 3dnj s LEU 46 N -1.81 3.31 0.58 0.37 1.43 -0.70 -2.00 118.68 119.85 3dnj s LEU 46 Ca 0.19 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 52.95 3dnj s LEU 46 Cb -0.11 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 3dnj s LEU 46 CO 0.10 0.23 1.12 0.21 0.23 0.00 0.00 176.35 178.25 3dnj s ASN 47 N -1.83 5.57 0.26 2.29 2.47 -0.06 -4.42 114.94 119.22 3dnj s ASN 47 Ca 0.21 2.11 -0.12 0.00 0.42 0.00 0.00 52.86 55.48 3dnj s ASN 47 Cb -0.11 -2.57 -0.00 0.00 -1.45 0.00 0.00 41.25 37.11 3dnj s ASN 47 CO 0.12 -1.32 0.49 1.51 -3.72 0.00 0.00 177.10 174.18 3dnj s ASP 48 N -2.03 0.03 0.00 -4.21 1.47 -1.26 -4.95 116.67 105.72 3dnj s ASP 48 Ca 0.71 -1.00 0.20 0.00 1.18 0.00 0.00 52.55 53.63 3dnj s ASP 48 Cb -0.22 0.61 0.53 0.00 -0.34 0.00 0.00 42.92 43.49 3dnj s ASP 48 CO 0.31 -1.18 1.44 0.47 0.68 0.00 0.00 175.17 176.89 3dnj n ASP 49 N -0.54 2.99 -0.03 2.11 8.00 -1.26 -4.47 116.55 123.35 3dnj n ASP 49 Ca -0.02 -1.95 -0.04 0.00 0.71 0.00 0.00 54.79 53.50 3dnj n ASP 49 Cb 0.62 -0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 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 1.15 0.00 -2.22 1.24 4.01 -1.26 -5.01 117.16 115.07 3dnj n TYR 50 Ca 0.19 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.51 3dnj n TYR 50 Cb 0.50 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.31 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 -2.10 3.49 0.42 -0.72 2.01 -1.26 -4.96 115.64 112.53 3dnj s THR 51 Ca -0.07 1.04 -0.26 0.00 0.31 0.00 0.00 61.69 62.72 3dnj s THR 51 Cb 0.02 -3.67 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 3dnj s THR 51 CO 0.11 0.06 1.37 -2.84 -0.69 0.00 0.00 174.62 172.64 3dnj s PRO 52 N 1.37 3.86 0.27 4.92 0.02 -1.26 -4.90 135.00 139.27 3dnj s PRO 52 Ca 0.64 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.96 3dnj s PRO 52 Cb -0.35 -2.73 0.57 0.00 0.02 0.00 0.00 34.50 32.01 3dnj s PRO 52 CO 0.29 -0.64 1.78 0.52 -0.33 0.00 0.00 177.00 178.62 3dnj h MET 53 N 2.55 0.68 -0.03 5.54 2.86 -1.99 -1.10 114.93 123.44 3dnj h MET 53 Ca -0.50 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.03 3dnj h MET 53 Cb 1.25 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 3dnj h MET 53 CO 0.62 0.45 -0.29 0.93 1.06 0.00 0.00 176.91 179.68 3dnj h GLU 54 N 0.70 0.06 -0.27 1.72 4.39 -1.99 -1.59 114.58 117.60 3dnj h GLU 54 Ca 0.49 -0.02 -0.16 0.00 0.34 0.00 0.00 59.36 60.01 3dnj h GLU 54 Cb 0.67 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 3dnj h GLU 54 CO -0.35 0.35 -0.47 0.35 -1.16 0.00 0.00 179.01 177.73 3dnj h PHE 55 N 0.05 0.88 -0.59 4.33 3.57 -1.58 -1.31 116.94 122.29 3dnj h PHE 55 Ca 0.01 -0.28 -0.03 0.00 3.53 0.00 0.00 57.97 61.19 3dnj h PHE 55 Cb 0.54 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 3dnj h PHE 55 CO 0.00 1.05 0.25 0.28 -2.23 0.00 0.00 178.31 177.66 3dnj h VAL 56 N 0.57 1.22 -0.41 1.41 2.07 -1.03 -0.05 116.25 120.03 3dnj h VAL 56 Ca 0.03 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 66.90 3dnj h VAL 56 Cb 1.03 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3dnj h VAL 56 CO 0.10 0.27 0.21 0.58 0.02 0.00 0.00 177.57 178.75 3dnj h VAL 57 N 0.82 0.99 -0.38 2.57 2.07 -1.21 -1.58 116.25 119.53 3dnj h VAL 57 Ca 0.20 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.63 3dnj h VAL 57 Cb 0.18 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 3dnj h VAL 57 CO -0.02 0.08 0.04 0.22 0.02 0.00 0.00 177.57 177.91 3dnj h TYR 58 N 0.43 0.06 -0.48 1.57 3.20 -0.80 -0.86 116.97 120.09 3dnj h TYR 58 Ca 0.17 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.08 3dnj h TYR 58 Cb 0.06 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3dnj h TYR 58 CO -0.09 -0.02 0.30 0.28 -1.64 0.00 0.00 178.16 176.98 3dnj h VAL 59 N 0.16 1.08 -0.66 1.81 2.07 -0.61 0.41 116.25 120.50 3dnj h VAL 59 Ca 0.19 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 3dnj h VAL 59 Cb 0.24 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3dnj h VAL 59 CO -0.27 0.11 0.18 -0.07 0.02 0.00 0.00 177.57 177.54 3dnj h LEU 60 N 0.60 0.98 -0.08 2.57 3.38 -0.89 0.19 115.31 122.07 3dnj h LEU 60 Ca 0.19 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3dnj h LEU 60 Cb -0.02 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 3dnj h LEU 60 CO -0.07 0.94 0.02 -0.33 0.09 0.00 0.00 178.44 179.09 3dnj h GLU 61 N 0.97 0.12 0.00 1.13 5.08 -0.90 -2.12 114.58 118.86 3dnj h GLU 61 Ca 0.21 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3dnj h GLU 61 Cb 0.33 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3dnj h GLU 61 CO -0.00 0.29 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.12 3dnj h ARG 62 N -0.08 0.06 0.00 2.33 9.65 -0.80 -2.65 114.38 122.89 3dnj h ARG 62 Ca 0.02 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3dnj h ARG 62 Cb 0.23 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3dnj h ARG 62 CO -0.00 0.86 -1.14 1.19 2.80 0.00 0.00 179.97 183.68 3dnj n PHE 63 N -4.63 0.43 -0.23 2.20 3.72 0.04 -4.33 117.46 114.67 3dnj n PHE 63 Ca -0.10 0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3dnj n PHE 63 Cb 0.44 -0.59 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 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 -2.20 0.00 -3.00 1.38 3.72 -0.97 -5.02 117.46 111.38 3dnj n PHE 64 Ca 0.01 -0.32 -0.22 0.00 -0.05 0.00 0.00 57.45 56.87 3dnj n PHE 64 Cb 0.48 -0.03 0.02 0.00 -0.94 0.00 0.00 39.48 39.01 3dnj n PHE 64 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3dnj n ASN 65 N -0.32 -5.53 -4.79 4.37 4.13 -1.00 -4.93 115.26 107.19 3dnj n ASN 65 Ca 0.00 -0.25 -0.38 0.00 1.68 0.00 0.00 54.58 55.62 3dnj n ASN 65 Cb 0.26 -4.50 -0.06 0.00 -1.54 0.00 0.00 39.78 33.94 3dnj n ASN 65 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3dnj s LYS 66 N -5.67 4.40 0.94 3.52 -0.14 -0.84 -4.98 119.74 116.97 3dnj s LYS 66 Ca 0.28 0.98 -0.11 0.00 -1.36 0.00 0.00 55.97 55.76 3dnj s LYS 66 Cb -0.13 -3.17 0.16 0.00 -1.68 0.00 0.00 37.83 33.01 3dnj s LYS 66 CO 0.34 0.55 1.11 -1.54 -0.76 0.00 0.00 175.35 175.05 3dnj s SER 67 N -1.25 2.85 0.19 2.83 1.04 -1.26 -4.15 113.70 113.95 3dnj s SER 67 Ca 0.35 1.93 -0.11 0.00 0.48 0.00 0.00 55.95 58.60 3dnj s SER 67 Cb -0.21 -2.47 0.21 0.00 0.10 0.00 0.00 66.02 63.66 3dnj s SER 67 CO 0.23 -3.10 1.75 -0.09 0.98 0.00 0.00 173.24 173.01 3dnj h ARG 68 N -1.87 0.37 -0.53 4.02 2.43 -1.97 0.11 114.38 116.96 3dnj h ARG 68 Ca -0.47 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.59 3dnj h ARG 68 Cb 1.28 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 3dnj h ARG 68 CO 0.46 0.25 -0.01 1.49 -1.51 0.00 0.00 179.97 180.65 3dnj h GLU 69 N 0.38 0.94 -0.48 0.20 4.81 -1.99 -0.81 114.58 117.63 3dnj h GLU 69 Ca 0.27 -0.30 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 3dnj h GLU 69 Cb 0.30 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3dnj h GLU 69 CO -0.27 0.96 -0.18 -0.44 -0.73 0.00 0.00 179.01 178.35 3dnj h ASP 70 N 0.81 0.96 -0.67 1.04 3.32 -1.80 -0.64 116.42 119.44 3dnj h ASP 70 Ca 0.15 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 3dnj h ASP 70 Cb 0.54 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3dnj h ASP 70 CO 0.03 1.11 0.40 0.00 -1.72 0.00 0.00 179.24 179.06 3dnj h ALA 71 N 0.96 0.86 -0.54 3.45 0.00 -0.68 -1.31 119.26 121.99 3dnj h ALA 71 Ca 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3dnj h ALA 71 Cb 0.74 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3dnj h ALA 71 CO 0.06 0.34 0.22 1.15 0.00 0.00 0.00 179.25 181.02 3dnj h THR 72 N 0.91 1.22 -0.18 0.00 2.02 -0.84 -0.54 112.91 115.51 3dnj h THR 72 Ca 0.24 -0.68 0.02 0.00 0.77 0.00 0.00 66.41 66.76 3dnj h THR 72 Cb -0.01 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3dnj h THR 72 CO -0.04 0.26 0.05 -0.09 0.37 0.00 0.00 175.52 176.06 3dnj h ARG 73 N 0.74 0.12 -0.37 6.66 2.43 -0.80 -0.68 114.38 122.49 3dnj h ARG 73 Ca 0.18 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 3dnj h ARG 73 Cb 0.20 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3dnj h ARG 73 CO -0.02 0.08 0.00 0.82 -1.51 0.00 0.00 179.97 179.35 3dnj h ILE 74 N 0.12 1.26 -0.60 1.20 2.04 -1.12 -1.35 117.51 119.06 3dnj h ILE 74 Ca 0.08 -0.98 0.09 0.00 1.00 0.00 0.00 64.86 65.05 3dnj h ILE 74 Cb 0.06 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 3dnj h ILE 74 CO -0.09 0.33 0.24 -0.03 0.00 0.00 0.00 178.15 178.60 3dnj h MET 75 N 0.46 0.43 -0.32 2.37 4.05 -0.90 -0.81 114.93 120.20 3dnj h MET 75 Ca 0.10 -0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.37 3dnj h MET 75 Cb 0.46 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 3dnj h MET 75 CO 0.02 0.28 -0.31 -0.07 0.23 0.00 0.00 176.91 177.06 3dnj h LEU 76 N 0.44 0.72 -0.78 3.39 3.38 -0.90 -0.31 115.31 121.25 3dnj h LEU 76 Ca 0.30 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dnj h LEU 76 Cb 0.34 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3dnj h LEU 76 CO -0.28 0.98 0.48 -0.74 0.09 0.00 0.00 178.44 178.97 3dnj h HIS 77 N 0.59 1.01 -0.27 1.13 2.76 -0.55 -1.53 115.15 118.29 3dnj h HIS 77 Ca 0.07 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.17 3dnj h HIS 77 Cb 0.82 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 3dnj h HIS 77 CO 0.04 0.67 -0.10 0.28 -1.30 0.00 0.00 177.93 177.52 3dnj h VAL 78 N 1.06 1.29 -0.88 5.26 2.07 -0.83 0.29 116.25 124.51 3dnj h VAL 78 Ca 0.28 -1.16 0.11 0.00 0.82 0.00 0.00 66.70 66.75 3dnj h VAL 78 Cb -0.06 1.48 -0.08 0.00 -1.52 0.00 0.00 31.29 31.11 3dnj h VAL 78 CO -0.05 0.37 0.51 -0.74 0.02 0.00 0.00 177.57 177.67 3dnj h HIS 79 N 0.29 0.92 0.08 1.57 6.17 -0.83 0.13 115.15 123.48 3dnj h HIS 79 Ca 0.06 0.03 -0.28 0.00 0.71 0.00 0.00 60.37 60.89 3dnj h HIS 79 Cb 0.60 -0.28 -0.02 0.00 2.52 0.00 0.00 27.41 30.23 3dnj h HIS 79 CO 0.06 0.35 -1.44 1.96 0.71 0.00 0.00 177.93 179.57 3dnj h GLN 80 N 0.82 0.17 0.00 5.26 1.08 -1.14 -3.40 115.11 117.90 3dnj h GLN 80 Ca 0.44 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3dnj h GLN 80 Cb 0.45 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 3dnj h GLN 80 CO -0.27 1.02 -0.35 0.09 -0.95 0.00 0.00 178.83 178.37 3dnj n ASN 81 N -3.39 0.49 0.00 1.46 4.13 0.08 -5.02 115.26 113.00 3dnj n ASN 81 Ca -0.13 -0.61 0.00 0.00 1.68 0.00 0.00 54.58 55.52 3dnj n ASN 81 Cb 1.02 1.02 0.00 0.00 -1.54 0.00 0.00 39.78 40.28 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 1.21 2.88 3.46 7.41 0.00 0.43 -5.01 105.19 115.57 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 -2.61 0.00 0.08 1.61 0.11 -1.25 -0.88 120.40 117.46 3dnj s VAL 83 Ca 0.00 -0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.79 3dnj s VAL 83 Cb 0.00 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.93 3dnj s VAL 83 CO 0.00 -0.00 0.76 -0.83 -3.33 0.00 0.00 175.10 171.70 3dnj s GLY 84 N -2.08 -0.51 -0.17 6.54 0.00 -0.85 -4.27 107.32 105.98 3dnj s GLY 84 Ca -0.04 0.71 -0.18 0.00 0.00 0.00 0.00 44.72 45.21 3dnj s GLY 84 CO -0.03 0.23 0.47 0.14 0.00 0.00 0.00 173.10 173.92 3dnj s VAL 85 N -3.42 5.16 -0.10 1.40 1.01 -1.26 -1.92 120.40 121.26 3dnj s VAL 85 Ca 0.04 0.90 0.11 0.00 0.00 0.00 0.00 61.98 63.02 3dnj s VAL 85 Cb -0.01 -3.81 -0.24 0.00 0.00 0.00 0.00 36.38 32.33 3dnj s VAL 85 CO -0.10 0.25 0.44 0.00 0.00 0.00 0.00 175.10 175.69 3dnj n GLY 87 N 1.69 0.56 2.95 0.00 0.00 -1.24 -4.89 105.19 104.26 3dnj n GLY 87 Ca -0.24 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 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 0.84 0.21 1.61 1.01 -1.26 -1.07 120.40 119.74 3dnj s VAL 88 Ca 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 3dnj s VAL 88 Cb 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 3dnj s VAL 88 CO 0.00 0.30 0.31 -0.31 0.00 0.00 0.00 175.10 175.39 3dnj s TYR 89 N 0.88 0.64 0.91 5.22 2.02 -0.30 -4.92 117.35 121.79 3dnj s TYR 89 Ca -0.11 -0.96 -0.10 0.00 -0.37 0.00 0.00 57.07 55.53 3dnj s TYR 89 Cb -0.15 -0.13 0.14 0.00 -0.40 0.00 0.00 41.96 41.43 3dnj s TYR 89 CO 0.01 -0.80 1.14 0.95 -1.57 0.00 0.00 175.55 175.27 3dnj s THR 90 N -4.05 2.20 0.16 -0.71 -4.23 -1.26 -0.62 115.64 107.12 3dnj s THR 90 Ca 0.27 0.07 -0.17 0.00 -1.18 0.00 0.00 61.69 60.67 3dnj s THR 90 Cb 0.03 -2.14 0.04 0.00 1.34 0.00 0.00 72.50 71.77 3dnj s THR 90 CO 0.08 -0.09 1.71 0.22 -0.54 0.00 0.00 174.62 176.00 3dnj h TYR 91 N -1.82 -0.02 -0.09 3.99 3.20 -1.93 0.07 116.97 120.37 3dnj h TYR 91 Ca -0.44 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.33 3dnj h TYR 91 Cb 1.27 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 3dnj h TYR 91 CO 0.50 -0.06 -0.50 1.05 -1.64 0.00 0.00 178.16 177.51 3dnj h GLU 92 N 0.10 0.23 -0.26 1.82 9.09 -1.99 -0.51 114.58 123.06 3dnj h GLU 92 Ca 0.17 -0.13 -0.16 0.00 0.05 0.00 0.00 59.36 59.29 3dnj h GLU 92 Cb 0.23 0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.34 3dnj h GLU 92 CO -0.28 0.68 -0.46 0.28 0.05 0.00 0.00 179.01 179.29 3dnj h VAL 93 N 0.18 1.29 -0.70 -1.06 2.07 -1.81 -1.93 116.25 114.30 3dnj h VAL 93 Ca 0.01 -1.65 0.04 0.00 0.82 0.00 0.00 66.70 65.92 3dnj h VAL 93 Cb 0.95 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 3dnj h VAL 93 CO 0.08 0.53 0.43 0.00 0.02 0.00 0.00 177.57 178.63 3dnj h ALA 94 N 0.66 0.93 -0.96 1.67 0.00 -0.64 -0.72 119.26 120.21 3dnj h ALA 94 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dnj h ALA 94 Cb 1.06 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3dnj h ALA 94 CO 0.10 0.17 0.61 0.93 0.00 0.00 0.00 179.25 181.07 3dnj h GLU 95 N 0.82 1.27 -0.27 0.00 5.08 -1.00 -0.95 114.58 119.53 3dnj h GLU 95 Ca 0.29 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3dnj h GLU 95 Cb 0.08 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3dnj h GLU 95 CO -0.13 0.86 0.11 1.15 -1.00 0.00 0.00 179.01 180.00 3dnj h THR 96 N 1.30 1.17 -0.47 1.13 2.02 -0.63 -1.67 112.91 115.78 3dnj h THR 96 Ca 0.35 -0.52 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 3dnj h THR 96 Cb -0.12 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3dnj h THR 96 CO -0.07 0.18 0.15 0.11 0.37 0.00 0.00 175.52 176.26 3dnj h LYS 97 N 0.29 0.72 -0.43 6.66 1.57 -0.78 -0.02 116.57 124.59 3dnj h LYS 97 Ca 0.09 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3dnj h LYS 97 Cb 0.17 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3dnj h LYS 97 CO -0.01 0.68 0.23 0.28 -0.57 0.00 0.00 179.45 180.06 3dnj h VAL 98 N 0.62 1.00 -0.61 0.50 2.07 -1.10 -0.95 116.25 117.77 3dnj h VAL 98 Ca 0.15 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3dnj h VAL 98 Cb 0.26 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3dnj h VAL 98 CO -0.01 0.08 0.31 0.00 0.02 0.00 0.00 177.57 177.98 3dnj h ALA 99 N 1.21 0.79 -0.61 1.67 0.00 -1.00 -1.23 119.26 120.09 3dnj h ALA 99 Ca 0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3dnj h ALA 99 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3dnj h ALA 99 CO -0.11 0.34 0.17 1.96 0.00 0.00 0.00 179.25 181.61 3dnj h GLN 100 N 0.84 0.93 -0.19 0.00 4.20 -0.55 -0.64 115.11 119.70 3dnj h GLN 100 Ca 0.21 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 3dnj h GLN 100 Cb 0.09 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3dnj h GLN 100 CO -0.03 0.81 -0.01 0.28 -0.67 0.00 0.00 178.83 179.21 3dnj h VAL 101 N 0.90 1.27 -0.33 -0.54 2.07 -0.79 -1.59 116.25 117.23 3dnj h VAL 101 Ca 0.20 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 3dnj h VAL 101 Cb 0.28 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3dnj h VAL 101 CO -0.01 0.28 0.17 0.40 0.02 0.00 0.00 177.57 178.43 3dnj h ILE 102 N 0.08 1.15 -0.02 4.57 1.08 -1.02 0.48 117.51 123.84 3dnj h ILE 102 Ca 0.05 -0.43 0.03 0.00 -0.39 0.00 0.00 64.86 64.13 3dnj h ILE 102 Cb 0.42 0.82 -0.04 0.00 -3.07 0.00 0.00 36.82 34.95 3dnj h ILE 102 CO 0.01 0.16 -0.20 -0.78 -0.69 0.00 0.00 178.15 176.66 3dnj h ASP 103 N 0.41 -0.58 -0.19 1.72 3.58 -1.11 -0.39 116.42 119.86 3dnj h ASP 103 Ca 0.12 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.65 3dnj h ASP 103 Cb 0.10 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 3dnj h ASP 103 CO -0.02 -0.26 0.13 -1.28 -2.88 0.00 0.00 179.24 174.93 3dnj h SER 104 N -0.31 0.22 0.01 2.28 0.87 -1.08 -1.85 113.55 113.70 3dnj h SER 104 Ca 0.06 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3dnj h SER 104 Cb 0.39 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3dnj h SER 104 CO -0.19 0.17 -0.04 0.00 -0.53 0.00 0.00 176.83 176.24 3dnj h ALA 105 N 1.06 -0.04 -0.57 6.23 0.00 -0.61 -1.74 119.26 123.59 3dnj h ALA 105 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3dnj h ALA 105 Cb -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3dnj h ALA 105 CO -0.01 -0.54 0.03 0.00 0.00 0.00 0.00 179.25 178.73 3dnj h ARG 106 N -0.07 0.95 0.00 0.00 2.47 -1.02 0.02 114.38 116.73 3dnj h ARG 106 Ca 0.01 -0.27 -0.03 0.00 -1.26 0.00 0.00 59.98 58.43 3dnj h ARG 106 Cb 0.09 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.30 3dnj h ARG 106 CO -0.03 0.92 -0.15 0.00 0.56 0.00 0.00 179.97 181.27 3dnj h ARG 107 N 0.88 0.00 -0.61 0.04 3.08 -1.16 -0.80 114.38 115.82 3dnj h ARG 107 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3dnj h ARG 107 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3dnj h ARG 107 CO 0.02 0.15 0.00 0.72 -1.07 0.00 0.00 179.97 179.79 3dnj n HIS 108 N -3.75 1.05 -3.67 3.04 8.25 -0.67 -4.94 115.22 114.53 3dnj n HIS 108 Ca -0.02 -0.41 -0.25 0.00 -0.26 0.00 0.00 57.72 56.78 3dnj n HIS 108 Cb 0.26 -0.19 0.07 0.00 1.12 0.00 0.00 29.99 31.25 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 0.70 -7.17 -4.96 -0.41 6.02 -0.30 -5.01 117.38 106.24 3dnj n GLN 109 Ca 0.18 0.77 -0.30 0.00 -0.01 0.00 0.00 57.00 57.64 3dnj n GLN 109 Cb 0.66 -5.77 -0.15 0.00 1.02 0.00 0.00 30.24 26.00 3dnj n GLN 109 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3dnj s HIS 110 N -3.33 2.23 -1.59 1.08 3.76 -0.08 -5.01 115.29 112.35 3dnj s HIS 110 Ca 0.53 -0.41 0.10 0.00 -0.15 0.00 0.00 55.06 55.14 3dnj s HIS 110 Cb -0.25 -1.36 0.36 0.00 1.11 0.00 0.00 32.58 32.44 3dnj s HIS 110 CO 0.76 0.08 1.23 -0.35 -0.85 0.00 0.00 174.74 175.61 3dnj n PRO 111 N 1.97 2.20 -1.59 8.40 -0.04 -1.26 -3.54 135.00 141.14 3dnj n PRO 111 Ca -0.17 -1.42 -0.58 0.00 -0.04 0.00 0.00 63.50 61.29 3dnj n PRO 111 Cb 0.52 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.52 0.95 -4.84 1.53 7.94 -1.26 -4.94 117.00 116.89 3dnj n LEU 112 Ca 0.13 1.14 -0.37 0.00 -1.11 0.00 0.00 56.01 55.81 3dnj n LEU 112 Cb 0.44 -1.02 -0.07 0.00 0.53 0.00 0.00 43.42 43.30 3dnj n LEU 112 CO 0.11 -1.32 -0.19 -1.10 -1.11 0.00 0.00 177.39 173.77 3dnj s GLN 113 N 0.96 3.42 -0.01 1.96 -0.21 -1.26 -4.83 119.66 119.68 3dnj s GLN 113 Ca 0.92 -0.18 0.00 0.00 0.02 0.00 0.00 55.36 56.12 3dnj s GLN 113 Cb -1.18 -3.14 0.01 0.00 1.00 0.00 0.00 33.01 29.70 3dnj s GLN 113 CO 0.58 0.74 0.01 0.00 -2.12 0.00 0.00 175.29 174.50 3dnj n THR 115 N 3.54 0.00 -3.99 0.00 5.66 -0.34 -4.99 114.28 114.16 3dnj n THR 115 Ca -0.19 -1.46 -0.09 0.00 -3.05 0.00 0.00 64.05 59.27 3dnj n THR 115 Cb 0.56 0.88 -0.10 0.00 -1.55 0.00 0.00 70.33 70.12 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 -2.67 0.50 0.04 1.09 0.23 -1.26 -0.54 119.30 116.69 3dnj s MET 116 Ca 0.24 -0.83 0.00 0.00 -1.03 0.00 0.00 55.69 54.07 3dnj s MET 116 Cb -0.01 0.18 -0.03 0.00 -1.53 0.00 0.00 34.83 33.45 3dnj s MET 116 CO 0.17 -0.10 -0.04 -1.21 -2.03 0.00 0.00 175.02 171.80 3dnj s GLU 117 N -2.57 0.46 0.27 3.16 2.02 -0.49 -4.98 118.70 116.58 3dnj s GLU 117 Ca -0.05 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 53.81 3dnj s GLU 117 Cb -0.02 0.03 -0.13 0.00 0.10 0.00 0.00 34.13 34.11 3dnj s GLU 117 CO -0.05 -0.04 1.44 1.17 0.02 0.00 0.00 175.26 177.81 3dnj n LYS 118 N 1.14 2.25 0.00 1.61 4.81 -1.26 -0.55 118.16 126.15 3dnj n LYS 118 Ca -0.21 0.80 0.16 0.00 -0.87 0.00 0.00 58.31 58.19 3dnj n LYS 118 Cb 0.57 -2.48 0.95 0.00 0.02 0.00 0.00 35.03 34.09 3dnj n LYS 118 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10