#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j46 s GLN 2 N 0.00 3.49 -0.15 0.03 -0.21 -1.26 -5.09 119.66 116.48 1j46 s GLN 2 Ca 0.00 -0.44 -0.18 0.00 0.02 0.00 0.00 55.36 54.77 1j46 s GLN 2 Cb 0.00 -2.94 -0.04 0.00 1.00 0.00 0.00 33.01 31.03 1j46 s GLN 2 CO 0.00 0.42 0.47 -0.51 -2.12 0.00 0.00 175.29 173.55 1j46 s ASP 3 N -0.10 6.62 0.19 5.90 1.01 -1.26 -5.06 116.67 123.98 1j46 s ASP 3 Ca 0.04 0.73 -0.17 0.00 0.71 0.00 0.00 52.55 53.86 1j46 s ASP 3 Cb -0.13 -2.27 -0.08 0.00 1.01 0.00 0.00 42.92 41.45 1j46 s ASP 3 CO 0.02 -0.04 0.65 -0.60 0.21 0.00 0.00 175.17 175.41 1j46 s ARG 4 N 0.90 4.12 -0.10 8.23 3.52 -1.26 -5.04 118.95 129.33 1j46 s ARG 4 Ca 0.24 0.70 -0.21 0.00 -0.13 0.00 0.00 55.73 56.33 1j46 s ARG 4 Cb -0.15 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 1j46 s ARG 4 CO 0.09 0.42 0.58 0.08 -0.81 0.00 0.00 175.30 175.67 1j46 s VAL 5 N -1.52 5.12 0.37 7.11 1.01 -1.26 -5.06 120.40 126.18 1j46 s VAL 5 Ca 0.41 1.19 -0.06 0.00 0.00 0.00 0.00 61.98 63.51 1j46 s VAL 5 Cb -0.16 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1j46 s VAL 5 CO 0.20 0.29 0.68 -0.54 0.00 0.00 0.00 175.10 175.72 1j46 s LYS 6 N 0.74 3.65 0.58 2.72 1.02 -1.26 -5.05 119.74 122.13 1j46 s LYS 6 Ca 0.31 0.18 -0.18 0.00 0.02 0.00 0.00 55.97 56.30 1j46 s LYS 6 Cb -0.16 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.60 1j46 s LYS 6 CO 0.14 0.04 1.13 1.03 -0.92 0.00 0.00 175.35 176.76 1j46 s ARG 7 N -3.96 3.18 0.40 1.68 0.52 -1.26 -4.97 118.95 114.54 1j46 s ARG 7 Ca 0.47 1.55 -0.27 0.00 -0.52 0.00 0.00 55.73 56.97 1j46 s ARG 7 Cb -0.10 -1.99 -0.10 0.00 0.52 0.00 0.00 34.95 33.28 1j46 s ARG 7 CO 0.34 -0.98 1.36 -0.35 0.02 0.00 0.00 175.30 175.69 1j46 n PRO 8 N -1.64 2.21 -2.41 3.54 -0.04 -1.26 -4.93 135.00 130.47 1j46 n PRO 8 Ca 0.11 0.78 -0.41 0.00 -0.04 0.00 0.00 63.50 63.94 1j46 n PRO 8 Cb 0.51 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.45 1j46 n PRO 8 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1j46 s MET 9 N -2.17 4.49 0.76 0.54 -1.94 -1.26 -5.02 119.30 114.70 1j46 s MET 9 Ca 0.58 1.82 -0.12 0.00 -1.71 0.00 0.00 55.69 56.26 1j46 s MET 9 Cb -0.50 -3.28 0.05 0.00 2.01 0.00 0.00 34.83 33.11 1j46 s MET 9 CO 0.60 -0.12 1.14 -0.80 -0.01 0.00 0.00 175.02 175.83 1j46 s ASN 10 N 0.39 4.96 0.39 3.03 0.01 -1.26 -4.68 114.94 117.77 1j46 s ASN 10 Ca 0.54 0.94 0.17 0.00 -0.71 0.00 0.00 52.86 53.80 1j46 s ASN 10 Cb -0.31 -1.58 1.05 0.00 0.41 0.00 0.00 41.25 40.82 1j46 s ASN 10 CO 0.34 -1.63 1.78 0.00 -1.51 0.00 0.00 177.10 176.08 1j46 h ALA 11 N -0.85 2.15 -0.03 0.60 0.00 -1.90 0.29 119.26 119.51 1j46 h ALA 11 Ca -0.45 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 1j46 h ALA 11 Cb 1.29 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.10 1j46 h ALA 11 CO 0.65 -0.54 -0.61 0.35 0.00 0.00 0.00 179.25 179.10 1j46 h PHE 12 N 0.44 0.68 -0.43 0.00 3.04 -1.91 -1.23 116.94 117.54 1j46 h PHE 12 Ca 0.57 -0.35 -0.02 0.00 3.98 0.00 0.00 57.97 62.16 1j46 h PHE 12 Cb 1.38 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.78 1j46 h PHE 12 CO -0.00 1.15 0.20 0.82 -2.02 0.00 0.00 178.31 178.46 1j46 h ILE 13 N 0.02 1.19 -0.08 1.41 1.08 -1.51 0.63 117.51 120.25 1j46 h ILE 13 Ca -0.07 -0.54 -0.00 0.00 -0.39 0.00 0.00 64.86 63.86 1j46 h ILE 13 Cb 1.30 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 35.79 1j46 h ILE 13 CO 0.12 0.21 0.05 0.58 -0.69 0.00 0.00 178.15 178.41 1j46 h VAL 14 N 0.55 1.07 0.00 1.67 2.07 -1.06 0.31 116.25 120.88 1j46 h VAL 14 Ca 0.15 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1j46 h VAL 14 Cb 0.14 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1j46 h VAL 14 CO -0.02 0.07 -0.16 -0.25 0.02 0.00 0.00 177.57 177.23 1j46 h TRP 15 N 0.05 0.00 0.14 1.57 7.01 -0.88 -2.60 115.95 121.24 1j46 h TRP 15 Ca 0.03 0.00 -0.29 0.00 2.11 0.00 0.00 58.89 60.74 1j46 h TRP 15 Cb 0.07 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.13 1j46 h TRP 15 CO -0.05 0.16 -1.35 0.66 -2.79 0.00 0.00 178.44 175.07 1j46 h SER 16 N 0.00 0.46 -0.50 2.65 4.64 0.82 -1.68 113.55 119.94 1j46 h SER 16 Ca -0.00 -0.53 0.10 0.00 -0.47 0.00 0.00 61.79 60.89 1j46 h SER 16 Cb 0.32 -0.15 -0.09 0.00 -0.31 0.00 0.00 62.40 62.16 1j46 h SER 16 CO 0.02 1.42 -0.12 0.03 -0.87 0.00 0.00 176.83 177.31 1j46 h ARG 17 N 0.08 0.00 0.15 4.77 3.08 -0.54 2.53 114.38 124.45 1j46 h ARG 17 Ca -0.18 -0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.57 1j46 h ARG 17 Cb 2.01 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 32.06 1j46 h ARG 17 CO 0.20 0.00 -1.46 0.22 -1.07 0.00 0.00 179.97 177.86 1j46 h ASP 18 N 0.00 0.50 -0.23 7.04 3.58 -1.64 -3.15 116.42 122.51 1j46 h ASP 18 Ca 0.24 -0.62 -0.15 0.00 0.42 0.00 0.00 57.03 56.92 1j46 h ASP 18 Cb 0.36 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1j46 h ASP 18 CO -0.51 1.50 -0.45 -0.61 -2.88 0.00 0.00 179.24 176.29 1j46 h GLN 19 N 0.09 0.72 -0.71 0.28 5.75 -0.77 -2.39 115.11 118.08 1j46 h GLN 19 Ca -0.22 -0.46 0.08 0.00 -0.15 0.00 0.00 58.65 57.90 1j46 h GLN 19 Cb 2.04 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 30.58 1j46 h GLN 19 CO 0.20 1.08 0.37 -0.09 -2.65 0.00 0.00 178.83 177.74 1j46 h ARG 20 N 0.44 0.63 -0.31 1.69 2.43 0.43 -0.44 114.38 119.24 1j46 h ARG 20 Ca 0.01 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1j46 h ARG 20 Cb 1.06 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1j46 h ARG 20 CO 0.10 0.42 -0.30 -0.09 -1.51 0.00 0.00 179.97 178.59 1j46 h ARG 21 N 0.65 0.66 -0.33 0.20 9.65 -1.50 -1.53 114.38 122.18 1j46 h ARG 21 Ca 0.34 -0.29 0.01 0.00 -1.10 0.00 0.00 59.98 58.93 1j46 h ARG 21 Cb 0.30 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 1j46 h ARG 21 CO -0.24 0.88 0.21 -0.22 2.80 0.00 0.00 179.97 183.41 1j46 h LYS 22 N 0.56 0.43 -0.16 0.20 3.64 -0.63 -1.30 116.57 119.31 1j46 h LYS 22 Ca 0.07 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1j46 h LYS 22 Cb 0.79 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1j46 h LYS 22 CO 0.07 0.28 -0.31 1.98 -2.27 0.00 0.00 179.45 179.19 1j46 h MET 23 N 0.44 0.31 -0.25 1.90 4.05 -0.99 -2.45 114.93 117.92 1j46 h MET 23 Ca 0.12 -0.12 -0.15 0.00 -0.28 0.00 0.00 59.70 59.27 1j46 h MET 23 Cb -0.04 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1j46 h MET 23 CO -0.03 0.59 -0.45 0.00 0.23 0.00 0.00 176.91 177.25 1j46 h ALA 24 N 1.41 0.73 -0.28 0.39 0.00 -0.67 2.27 119.26 123.12 1j46 h ALA 24 Ca 0.04 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 1j46 h ALA 24 Cb 0.69 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1j46 h ALA 24 CO 0.05 0.67 -0.44 -0.07 0.00 0.00 0.00 179.25 179.46 1j46 h LEU 25 N 0.52 0.75 0.00 0.00 3.38 -1.10 1.16 115.31 120.02 1j46 h LEU 25 Ca 0.03 -0.35 -0.21 0.00 0.09 0.00 0.00 57.88 57.44 1j46 h LEU 25 Cb 0.99 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1j46 h LEU 25 CO 0.09 1.08 -1.09 -0.33 0.09 0.00 0.00 178.44 178.29 1j46 h GLU 26 N 0.56 0.00 -2.12 1.13 5.08 -1.28 -3.37 114.58 114.59 1j46 h GLU 26 Ca 0.04 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.84 1j46 h GLU 26 Cb 0.98 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.82 1j46 h GLU 26 CO 0.09 0.84 -0.87 0.09 -1.00 0.00 0.00 179.01 178.16 1j46 n ASN 27 N -3.27 2.31 0.00 1.42 3.02 0.77 -4.92 115.26 114.58 1j46 n ASN 27 Ca -0.03 -3.19 0.09 0.00 -0.03 0.00 0.00 54.58 51.42 1j46 n ASN 27 Cb 0.94 -0.63 0.45 0.00 -0.61 0.00 0.00 39.78 39.93 1j46 n ASN 27 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1j46 n PRO 28 N 0.67 0.21 0.00 3.52 -0.04 0.40 -2.57 135.00 137.19 1j46 n PRO 28 Ca 0.27 0.13 0.06 0.00 -0.04 0.00 0.00 63.50 63.91 1j46 n PRO 28 Cb 0.49 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.48 1j46 n PRO 28 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1j46 n ARG 29 N -1.33 1.11 -2.81 0.54 1.74 -1.26 -4.96 116.66 109.69 1j46 n ARG 29 Ca 0.08 -1.00 -0.40 0.00 -0.77 0.00 0.00 57.85 55.75 1j46 n ARG 29 Cb 0.16 -1.19 -0.05 0.00 -1.02 0.00 0.00 32.46 30.36 1j46 n ARG 29 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1j46 s MET 30 N -1.14 4.73 0.44 5.56 1.75 -1.06 -5.02 119.30 124.55 1j46 s MET 30 Ca 0.12 1.38 -0.22 0.00 -1.25 0.00 0.00 55.69 55.72 1j46 s MET 30 Cb 0.09 -3.31 -0.09 0.00 2.84 0.00 0.00 34.83 34.36 1j46 s MET 30 CO 0.19 0.41 1.03 1.03 -0.65 0.00 0.00 175.02 177.03 1j46 s ARG 31 N -0.71 4.03 0.56 4.11 0.52 -1.26 -4.86 118.95 121.35 1j46 s ARG 31 Ca 0.42 1.38 0.25 0.00 -0.52 0.00 0.00 55.73 57.26 1j46 s ARG 31 Cb -0.24 -2.31 1.54 0.00 0.52 0.00 0.00 34.95 34.46 1j46 s ARG 31 CO 0.29 -0.23 2.11 -0.91 0.02 0.00 0.00 175.30 176.59 1j46 h ASN 32 N 2.04 0.00 -0.91 0.23 4.21 -1.97 -0.73 115.58 118.45 1j46 h ASN 32 Ca -0.49 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.01 1j46 h ASN 32 Cb 1.21 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.37 1j46 h ASN 32 CO 0.61 0.00 0.54 0.28 -1.29 0.00 0.00 177.43 177.56 1j46 h SER 33 N 0.00 1.11 0.21 5.81 0.02 -1.99 0.27 113.55 118.98 1j46 h SER 33 Ca 0.09 -0.08 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 1j46 h SER 33 Cb 0.41 -0.28 0.02 0.00 0.14 0.00 0.00 62.40 62.68 1j46 h SER 33 CO -0.00 0.87 -1.53 -0.33 -1.14 0.00 0.00 176.83 174.70 1j46 h GLU 34 N 1.27 0.44 -0.47 3.45 5.08 -1.55 -3.15 114.58 119.65 1j46 h GLU 34 Ca 0.33 -0.75 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1j46 h GLU 34 Cb -0.03 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1j46 h GLU 34 CO -0.06 1.36 0.31 0.82 -1.00 0.00 0.00 179.01 180.44 1j46 h ILE 35 N 0.04 1.12 -0.82 3.13 2.04 -1.12 -0.47 117.51 121.44 1j46 h ILE 35 Ca -0.29 -0.23 0.16 0.00 1.00 0.00 0.00 64.86 65.50 1j46 h ILE 35 Cb 2.06 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 38.52 1j46 h ILE 35 CO 0.21 0.12 0.54 0.28 0.00 0.00 0.00 178.15 179.30 1j46 h SER 36 N 0.63 0.45 -0.19 1.72 0.02 -0.55 0.12 113.55 115.75 1j46 h SER 36 Ca 0.17 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.02 1j46 h SER 36 Cb -0.07 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1j46 h SER 36 CO -0.04 0.22 -0.40 0.11 -1.14 0.00 0.00 176.83 175.58 1j46 h LYS 37 N 0.47 0.61 -0.30 3.45 1.57 -1.08 -2.47 116.57 118.81 1j46 h LYS 37 Ca 0.41 -0.40 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1j46 h LYS 37 Cb 0.90 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1j46 h LYS 37 CO -0.15 1.02 -0.47 1.96 -0.57 0.00 0.00 179.45 181.24 1j46 h GLN 38 N 0.28 0.80 -0.78 3.15 4.20 -0.16 -2.07 115.11 120.53 1j46 h GLN 38 Ca 0.00 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1j46 h GLN 38 Cb 1.00 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.78 1j46 h GLN 38 CO 0.09 1.09 0.50 -0.07 -0.67 0.00 0.00 178.83 179.76 1j46 h LEU 39 N 0.63 0.91 -0.87 1.46 3.38 -0.86 0.34 115.31 120.30 1j46 h LEU 39 Ca 0.03 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1j46 h LEU 39 Cb 1.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1j46 h LEU 39 CO 0.10 0.68 0.30 1.23 0.09 0.00 0.00 178.44 180.84 1j46 h GLY 40 N 1.06 1.20 0.89 0.83 0.00 -1.27 0.98 103.07 106.76 1j46 h GLY 40 Ca 0.28 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1j46 h GLY 40 CO -0.06 0.61 0.03 -1.82 0.00 0.00 0.00 176.54 175.31 1j46 h TYR 41 N 1.10 0.57 -0.41 5.60 3.20 -0.54 -1.64 116.97 124.85 1j46 h TYR 41 Ca 0.25 -0.09 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 1j46 h TYR 41 Cb 0.21 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1j46 h TYR 41 CO 0.02 0.63 -0.24 1.96 -1.64 0.00 0.00 178.16 178.88 1j46 h GLN 42 N 0.34 0.88 -0.71 1.82 1.08 0.09 -3.04 115.11 115.58 1j46 h GLN 42 Ca 0.09 -0.41 0.01 0.00 -1.45 0.00 0.00 58.65 56.90 1j46 h GLN 42 Cb 0.38 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.76 1j46 h GLN 42 CO 0.01 1.05 0.47 2.35 -0.95 0.00 0.00 178.83 181.76 1j46 h TRP 43 N 0.70 0.87 0.00 2.96 2.91 0.11 -0.20 115.95 123.31 1j46 h TRP 43 Ca 0.08 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.13 1j46 h TRP 43 Cb 0.82 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 29.17 1j46 h TRP 43 CO 0.06 0.54 0.00 1.63 -1.03 0.00 0.00 178.44 179.64 1j46 n LYS 44 N -4.44 0.13 0.00 2.65 5.02 -0.63 -2.58 118.16 118.31 1j46 n LYS 44 Ca 0.08 0.35 0.12 0.00 -2.02 0.00 0.00 58.31 56.83 1j46 n LYS 44 Cb 0.06 -1.74 0.13 0.00 -0.02 0.00 0.00 35.03 33.46 1j46 n LYS 44 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1j46 n MET 45 N -1.98 0.51 -2.34 1.97 2.81 -0.09 -4.93 117.12 113.07 1j46 n MET 45 Ca 0.03 -0.37 -0.34 0.00 -1.81 0.00 0.00 57.70 55.21 1j46 n MET 45 Cb 0.22 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.23 1j46 n MET 45 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1j46 s LEU 46 N -2.74 3.74 0.66 4.03 1.43 -1.07 -5.03 118.68 119.71 1j46 s LEU 46 Ca 0.16 1.99 -0.06 0.00 -1.03 0.00 0.00 54.13 55.19 1j46 s LEU 46 Cb 0.18 -4.56 0.05 0.00 0.03 0.00 0.00 46.19 41.88 1j46 s LEU 46 CO 0.66 -1.01 0.97 0.42 0.23 0.00 0.00 176.35 177.62 1j46 s THR 47 N -2.00 2.67 0.22 5.49 -4.23 -1.26 -4.85 115.64 111.67 1j46 s THR 47 Ca 0.68 -0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 60.93 1j46 s THR 47 Cb -0.19 -3.12 0.06 0.00 1.34 0.00 0.00 72.50 70.59 1j46 s THR 47 CO 0.26 -0.13 1.67 -0.08 -0.54 0.00 0.00 174.62 175.80 1j46 h GLU 48 N -0.45 0.86 -0.53 3.99 4.81 -1.97 0.20 114.58 121.50 1j46 h GLU 48 Ca -0.44 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.47 1j46 h GLU 48 Cb 1.30 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 1j46 h GLU 48 CO 0.60 0.93 0.25 0.00 -0.73 0.00 0.00 179.01 180.06 1j46 h ALA 49 N 1.10 0.69 -0.28 2.92 0.00 -1.99 1.27 119.26 122.98 1j46 h ALA 49 Ca 0.13 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1j46 h ALA 49 Cb 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1j46 h ALA 49 CO 0.04 0.25 -0.40 0.93 0.00 0.00 0.00 179.25 180.08 1j46 h GLU 50 N 0.71 0.65 0.00 0.00 5.08 -1.87 -2.97 114.58 116.19 1j46 h GLU 50 Ca 0.18 -0.33 -0.17 0.00 -1.00 0.00 0.00 59.36 58.04 1j46 h GLU 50 Cb 0.12 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1j46 h GLU 50 CO -0.02 0.94 -0.79 0.87 -1.00 0.00 0.00 179.01 179.00 1j46 h LYS 51 N 0.54 0.00 -0.58 2.33 1.57 -0.07 -3.33 116.57 117.03 1j46 h LYS 51 Ca 0.05 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.92 1j46 h LYS 51 Cb 0.92 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.12 1j46 h LYS 51 CO 0.08 0.79 -0.37 2.35 -0.57 0.00 0.00 179.45 181.74 1j46 h TRP 52 N 0.00 -1.04 -0.93 -1.35 2.91 0.18 0.15 115.95 115.86 1j46 h TRP 52 Ca -0.01 0.07 0.26 0.00 1.13 0.00 0.00 58.89 60.35 1j46 h TRP 52 Cb 1.41 0.54 -0.05 0.00 -0.51 0.00 0.00 29.16 30.56 1j46 h TRP 52 CO 0.00 -0.40 0.66 -1.00 -1.03 0.00 0.00 178.44 176.67 1j46 h PRO 53 N -0.19 0.09 0.02 2.65 0.13 -1.69 0.17 132.00 133.18 1j46 h PRO 53 Ca 0.21 -0.01 -0.25 0.00 -0.87 0.00 0.00 66.00 65.09 1j46 h PRO 53 Cb 0.56 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 1j46 h PRO 53 CO -0.68 0.06 -1.29 0.74 -0.23 0.00 0.00 178.00 176.60 1j46 h PHE 54 N 0.09 0.08 -0.16 1.56 0.04 -0.97 -3.02 116.94 114.56 1j46 h PHE 54 Ca 0.46 -0.06 -0.10 0.00 2.80 0.00 0.00 57.97 61.07 1j46 h PHE 54 Cb 1.67 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.81 1j46 h PHE 54 CO -0.00 1.06 -0.30 0.74 -0.60 0.00 0.00 178.31 179.21 1j46 h PHE 55 N 0.01 0.61 -0.82 -0.55 -1.00 0.54 -2.03 116.94 113.70 1j46 h PHE 55 Ca -0.13 -0.22 0.02 0.00 2.81 0.00 0.00 57.97 60.45 1j46 h PHE 55 Cb 1.88 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 41.28 1j46 h PHE 55 CO 0.01 0.93 0.54 0.37 -1.61 0.00 0.00 178.31 178.55 1j46 h GLN 56 N 0.12 1.05 -0.48 1.51 4.15 -1.06 0.14 115.11 120.53 1j46 h GLN 56 Ca 0.01 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 1j46 h GLN 56 Cb 0.90 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.33 1j46 h GLN 56 CO 0.07 0.69 0.17 1.49 -1.93 0.00 0.00 178.83 179.32 1j46 h GLU 57 N 1.08 0.74 -0.77 1.69 4.81 -1.45 0.31 114.58 121.00 1j46 h GLU 57 Ca 0.31 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1j46 h GLU 57 Cb -0.07 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.16 1j46 h GLU 57 CO -0.09 0.68 0.42 0.00 -0.73 0.00 0.00 179.01 179.30 1j46 h ALA 58 N 1.02 1.30 -0.68 2.92 0.00 -0.73 0.36 119.26 123.46 1j46 h ALA 58 Ca 0.16 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1j46 h ALA 58 Cb 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1j46 h ALA 58 CO -0.01 0.57 0.19 0.37 0.00 0.00 0.00 179.25 180.37 1j46 h GLN 59 N 1.07 1.06 -0.38 0.00 4.15 0.12 0.13 115.11 121.27 1j46 h GLN 59 Ca 0.27 -0.24 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 1j46 h GLN 59 Cb 0.02 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1j46 h GLN 59 CO -0.04 0.93 -0.18 -0.22 -1.93 0.00 0.00 178.83 177.39 1j46 h LYS 60 N 1.00 0.80 -0.48 1.69 3.64 0.80 -0.55 116.57 123.46 1j46 h LYS 60 Ca 0.22 -0.35 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1j46 h LYS 60 Cb 0.33 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1j46 h LYS 60 CO -0.00 0.97 0.16 -0.07 -2.27 0.00 0.00 179.45 178.24 1j46 h LEU 61 N 0.60 0.64 -0.32 5.20 3.38 -0.02 0.22 115.31 125.01 1j46 h LEU 61 Ca 0.08 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1j46 h LEU 61 Cb 0.73 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1j46 h LEU 61 CO 0.06 0.61 -0.30 -0.61 0.09 0.00 0.00 178.44 178.28 1j46 h GLN 62 N 0.69 0.76 -0.24 1.13 4.15 -0.35 0.39 115.11 121.65 1j46 h GLN 62 Ca 0.16 -0.40 -0.08 0.00 0.77 0.00 0.00 58.65 59.11 1j46 h GLN 62 Cb 0.19 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1j46 h GLN 62 CO -0.01 1.02 -0.15 0.00 -1.93 0.00 0.00 178.83 177.76 1j46 h ALA 63 N 0.73 0.35 -0.50 3.38 0.00 -0.60 -0.06 119.26 122.56 1j46 h ALA 63 Ca 0.05 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1j46 h ALA 63 Cb 0.87 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1j46 h ALA 63 CO 0.07 0.24 -0.04 1.98 0.00 0.00 0.00 179.25 181.50 1j46 h MET 64 N 0.25 0.87 -0.78 0.00 4.05 -0.55 -0.95 114.93 117.82 1j46 h MET 64 Ca 0.05 -0.27 -0.04 0.00 -0.28 0.00 0.00 59.70 59.17 1j46 h MET 64 Cb 0.67 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.36 1j46 h MET 64 CO 0.04 0.89 0.35 1.25 0.23 0.00 0.00 176.91 179.67 1j46 h HIS 65 N 0.80 1.14 0.00 1.39 6.17 -0.04 -1.40 115.15 123.21 1j46 h HIS 65 Ca 0.14 -0.06 -0.06 0.00 0.71 0.00 0.00 60.37 61.10 1j46 h HIS 65 Cb 0.54 -0.35 -0.01 0.00 2.52 0.00 0.00 27.41 30.11 1j46 h HIS 65 CO 0.03 0.84 -0.29 -0.09 0.71 0.00 0.00 177.93 179.13 1j46 h ARG 66 N 1.12 0.00 -0.11 5.26 2.43 -0.24 -2.31 114.38 120.52 1j46 h ARG 66 Ca 0.27 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.27 1j46 h ARG 66 Cb 0.15 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1j46 h ARG 66 CO -0.03 0.29 -0.64 1.49 -1.51 0.00 0.00 179.97 179.57 1j46 h GLU 67 N 0.00 0.42 -0.28 0.20 4.81 -0.10 -0.45 114.58 119.18 1j46 h GLU 67 Ca -0.00 -0.31 -0.12 0.00 -0.13 0.00 0.00 59.36 58.80 1j46 h GLU 67 Cb 0.62 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 1j46 h GLU 67 CO 0.04 0.92 -0.31 -0.22 -0.73 0.00 0.00 179.01 178.72 1j46 h LYS 68 N 0.31 0.70 -2.66 1.92 3.64 -1.07 -3.36 116.57 116.04 1j46 h LYS 68 Ca -0.01 -0.38 -0.60 0.00 -1.27 0.00 0.00 60.65 58.38 1j46 h LYS 68 Cb 1.19 0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 32.62 1j46 h LYS 68 CO 0.11 1.00 -0.76 0.66 -2.27 0.00 0.00 179.45 178.19 1j46 n TYR 69 N -4.25 1.52 0.24 1.91 4.01 -0.90 -4.94 117.16 114.75 1j46 n TYR 69 Ca -0.04 -3.88 0.15 0.00 -0.16 0.00 0.00 57.90 53.97 1j46 n TYR 69 Cb 0.48 -0.28 0.75 0.00 -0.31 0.00 0.00 39.34 39.99 1j46 n TYR 69 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1j46 h PRO 70 N 5.26 0.00 -0.33 -0.72 0.11 -1.24 -1.64 132.00 133.43 1j46 h PRO 70 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1j46 h PRO 70 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1j46 h PRO 70 CO 0.59 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.67 1j46 n ASN 71 N -2.52 2.98 -4.77 -2.05 2.85 -1.26 -5.00 115.26 105.50 1j46 n ASN 71 Ca -0.01 -1.88 -0.40 0.00 -0.11 0.00 0.00 54.58 52.17 1j46 n ASN 71 Cb 0.08 -0.22 -0.00 0.00 1.24 0.00 0.00 39.78 40.88 1j46 n ASN 71 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1j46 s TYR 72 N -1.11 2.75 -0.01 1.20 5.04 -0.62 -5.02 117.35 119.58 1j46 s TYR 72 Ca 0.28 1.33 0.02 0.00 -2.44 0.00 0.00 57.07 56.27 1j46 s TYR 72 Cb 0.16 -3.80 -0.00 0.00 0.35 0.00 0.00 41.96 38.67 1j46 s TYR 72 CO 0.22 -2.39 -0.08 0.21 -1.34 0.00 0.00 175.55 172.17 1j46 s LYS 73 N -2.14 0.65 -0.28 4.97 2.20 -1.26 -5.10 119.74 118.78 1j46 s LYS 73 Ca 0.55 -0.28 -0.29 0.00 -0.36 0.00 0.00 55.97 55.59 1j46 s LYS 73 Cb -0.41 -0.63 0.01 0.00 -1.51 0.00 0.00 37.83 35.28 1j46 s LYS 73 CO 0.54 0.16 1.13 -0.47 -0.36 0.00 0.00 175.35 176.35 1j46 s TYR 74 N -0.13 3.07 -0.49 4.03 5.04 -1.26 -4.96 117.35 122.65 1j46 s TYR 74 Ca 0.02 1.17 0.03 0.00 -2.44 0.00 0.00 57.07 55.86 1j46 s TYR 74 Cb -0.04 -3.62 0.15 0.00 0.35 0.00 0.00 41.96 38.81 1j46 s TYR 74 CO -0.00 -0.99 0.32 1.03 -1.34 0.00 0.00 175.55 174.56 1j46 s ARG 75 N 3.63 1.44 0.61 4.97 0.52 -1.26 -5.12 118.95 123.74 1j46 s ARG 75 Ca 0.48 -2.31 -0.18 0.00 -0.52 0.00 0.00 55.73 53.21 1j46 s ARG 75 Cb -0.15 -2.34 -0.03 0.00 0.52 0.00 0.00 34.95 32.96 1j46 s ARG 75 CO 0.15 -1.24 1.15 -1.25 0.02 0.00 0.00 175.30 174.13 1j46 s PRO 76 N -0.09 2.98 -0.17 3.54 0.04 -1.26 -5.00 135.00 135.05 1j46 s PRO 76 Ca 0.23 1.63 -0.21 0.00 0.04 0.00 0.00 61.00 62.69 1j46 s PRO 76 Cb -0.14 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1j46 s PRO 76 CO -0.08 -1.15 0.62 0.50 0.04 0.00 0.00 177.00 176.93 1j46 s ARG 77 N -3.56 4.26 0.12 4.56 3.52 -1.26 -5.04 118.95 121.55 1j46 s ARG 77 Ca 0.73 0.63 -0.23 0.00 -0.13 0.00 0.00 55.73 56.73 1j46 s ARG 77 Cb -0.25 -3.54 -0.07 0.00 -1.56 0.00 0.00 34.95 29.52 1j46 s ARG 77 CO 0.34 -0.14 0.68 1.03 -0.81 0.00 0.00 175.30 176.41 1j46 s ARG 78 N 1.57 4.40 0.46 5.12 1.81 -1.26 -5.07 118.95 125.98 1j46 s ARG 78 Ca 0.30 0.97 -0.00 0.00 -1.72 0.00 0.00 55.73 55.27 1j46 s ARG 78 Cb -0.16 -3.25 -0.00 0.00 -0.45 0.00 0.00 34.95 31.09 1j46 s ARG 78 CO 0.11 0.60 0.69 0.15 -0.68 0.00 0.00 175.30 176.18 1j46 s LYS 79 N -1.12 3.04 -0.31 3.54 1.02 -1.26 -4.98 119.74 119.68 1j46 s LYS 79 Ca 0.33 -0.46 -0.28 0.00 0.02 0.00 0.00 55.97 55.58 1j46 s LYS 79 Cb -0.21 -2.53 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 1j46 s LYS 79 CO 0.23 -0.32 1.83 0.00 -0.92 0.00 0.00 175.35 176.17 1j46 s ALA 80 N -2.60 2.88 -0.04 5.17 0.00 -1.26 -4.93 121.76 120.99 1j46 s ALA 80 Ca 0.49 0.34 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 1j46 s ALA 80 Cb -0.10 -4.01 0.03 0.00 0.00 0.00 0.00 23.12 19.04 1j46 s ALA 80 CO 0.39 -2.60 0.04 0.21 0.00 0.00 0.00 175.76 173.80 1j46 s LYS 81 N 5.66 0.06 -0.15 0.00 2.20 -1.26 -5.12 119.74 121.13 1j46 s LYS 81 Ca 0.82 0.28 -0.01 0.00 -0.36 0.00 0.00 55.97 56.69 1j46 s LYS 81 Cb -0.24 -0.52 0.04 0.00 -1.51 0.00 0.00 37.83 35.61 1j46 s LYS 81 CO 0.34 -0.28 -0.01 1.41 -0.36 0.00 0.00 175.35 176.45 1j46 s MET 82 N 1.83 0.99 0.07 4.03 1.75 -1.26 -5.13 119.30 121.59 1j46 s MET 82 Ca 0.01 -0.32 -0.16 0.00 -1.25 0.00 0.00 55.69 53.96 1j46 s MET 82 Cb -0.12 -1.76 -0.06 0.00 2.84 0.00 0.00 34.83 35.72 1j46 s MET 82 CO -0.03 -0.46 0.51 -0.51 -0.65 0.00 0.00 175.02 173.88 1j46 s LEU 83 N 1.79 4.46 0.70 4.11 1.43 -1.26 -5.06 118.68 124.85 1j46 s LEU 83 Ca 0.01 1.11 -0.15 0.00 -1.03 0.00 0.00 54.13 54.07 1j46 s LEU 83 Cb -0.15 -2.90 0.02 0.00 0.03 0.00 0.00 46.19 43.19 1j46 s LEU 83 CO -0.07 0.24 1.19 -2.16 0.23 0.00 0.00 176.35 175.78 1j46 s PRO 84 N -1.35 2.36 0.00 1.29 0.04 -1.26 -5.37 135.00 130.70 1j46 s PRO 84 Ca 0.30 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1j46 s PRO 84 Cb -0.17 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1j46 s PRO 84 CO 0.17 -1.65 0.20 1.63 0.04 0.00 0.00 177.00 177.39