#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nqo h SER 4 N 0.00 0.91 -0.49 7.72 4.64 -2.05 -0.86 113.55 123.41 3nqo h SER 4 Ca 0.00 -0.30 0.04 0.00 -0.47 0.00 0.00 61.79 61.05 3nqo h SER 4 Cb 0.00 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.80 3nqo h SER 4 CO 0.00 1.05 0.26 0.78 -0.87 0.00 0.00 176.83 178.05 3nqo h ASN 5 N 0.80 0.38 -0.26 4.97 2.35 -2.05 -0.58 115.58 121.19 3nqo h ASN 5 Ca 0.12 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3nqo h ASN 5 Cb 0.68 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 3nqo h ASN 5 CO 0.05 0.26 0.14 -0.33 -1.65 0.00 0.00 177.43 175.91 3nqo h GLU 6 N 0.51 0.37 -0.62 0.81 3.07 -1.94 -0.51 114.58 116.26 3nqo h GLU 6 Ca 0.21 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 59.06 3nqo h GLU 6 Cb 0.11 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.90 3nqo h GLU 6 CO -0.14 0.33 0.38 -0.07 -1.40 0.00 0.00 179.01 178.11 3nqo h LEU 7 N 0.31 0.62 -0.76 1.33 3.38 -0.93 0.05 115.31 119.31 3nqo h LEU 7 Ca 0.09 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3nqo h LEU 7 Cb 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3nqo h LEU 7 CO -0.01 0.43 -0.29 0.11 0.09 0.00 0.00 178.44 178.77 3nqo h LYS 8 N 0.75 0.62 -0.32 1.13 6.56 -0.92 -0.37 116.57 124.01 3nqo h LYS 8 Ca 0.25 -0.26 -0.04 0.00 -1.06 0.00 0.00 60.65 59.54 3nqo h LYS 8 Cb 0.02 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 3nqo h LYS 8 CO -0.10 0.84 0.05 0.93 -2.06 0.00 0.00 179.45 179.11 3nqo h GLU 9 N 0.53 0.53 -0.30 3.15 5.08 -0.79 -2.47 114.58 120.32 3nqo h GLU 9 Ca 0.07 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3nqo h GLU 9 Cb 0.76 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3nqo h GLU 9 CO 0.06 0.62 0.16 1.25 -1.00 0.00 0.00 179.01 180.10 3nqo h LEU 10 N 0.36 0.38 -0.31 1.33 5.85 -0.80 -2.57 115.31 119.55 3nqo h LEU 10 Ca 0.10 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3nqo h LEU 10 Cb 0.34 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 3nqo h LEU 10 CO 0.01 0.37 -0.05 0.15 -0.34 0.00 0.00 178.44 178.57 3nqo h PHE 11 N 0.36 -0.12 0.00 1.25 3.57 -1.10 0.27 116.94 121.16 3nqo h PHE 11 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3nqo h PHE 11 Cb 0.08 0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3nqo h PHE 11 CO -0.03 -0.11 0.00 -0.11 -2.23 0.00 0.00 178.31 175.83 3nqo n LEU 12 N -5.23 0.14 0.00 0.59 7.94 -0.93 -1.21 117.00 118.29 3nqo n LEU 12 Ca 0.00 -0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 3nqo n LEU 12 Cb 0.17 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.09 3nqo n LEU 12 CO 0.20 0.03 0.00 0.59 -1.11 0.00 0.00 177.39 177.10 3nqo n ASN 14 N 0.68 0.00 -0.06 1.96 3.02 0.93 -1.51 115.26 120.28 3nqo n ASN 14 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 3nqo n ASN 14 Cb 0.03 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 3nqo n ASN 14 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3nqo h GLN 15 N 0.00 0.79 -0.52 3.52 1.08 -1.41 0.15 115.11 118.71 3nqo h GLN 15 Ca 0.00 -0.47 -0.08 0.00 -1.45 0.00 0.00 58.65 56.66 3nqo h GLN 15 Cb 0.00 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 3nqo h GLN 15 CO 0.00 1.10 0.03 1.15 -0.95 0.00 0.00 178.83 180.16 3nqo h THR 16 N 0.62 1.26 0.26 -0.54 2.02 -1.52 -0.71 112.91 114.30 3nqo h THR 16 Ca 0.03 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 3nqo h THR 16 Cb 1.07 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3nqo h THR 16 CO 0.11 0.37 -0.12 0.22 0.37 0.00 0.00 175.52 176.46 3nqo h TYR 17 N 0.77 -0.32 -0.97 3.16 3.20 -1.78 -0.97 116.97 120.06 3nqo h TYR 17 Ca 0.15 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.12 3nqo h TYR 17 Cb 0.48 0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.78 3nqo h TYR 17 CO 0.04 -0.10 0.61 0.00 -1.64 0.00 0.00 178.16 177.06 3nqo h ALA 18 N 0.21 1.43 -0.35 1.82 0.00 -0.95 -1.56 119.26 119.85 3nqo h ALA 18 Ca -0.04 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3nqo h ALA 18 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3nqo h ALA 18 CO 0.06 0.25 -0.31 1.15 0.00 0.00 0.00 179.25 180.39 3nqo h THR 19 N 1.00 1.28 -0.56 0.00 2.02 -1.01 -1.67 112.91 113.97 3nqo h THR 19 Ca 0.47 -1.48 0.09 0.00 0.77 0.00 0.00 66.41 66.26 3nqo h THR 19 Cb 0.40 1.44 -0.07 0.00 -1.74 0.00 0.00 68.15 68.18 3nqo h THR 19 CO -0.24 0.49 0.18 0.25 0.37 0.00 0.00 175.52 176.56 3nqo h LEU 20 N 0.62 0.14 -0.01 2.58 5.85 -0.80 0.31 115.31 124.00 3nqo h LEU 20 Ca 0.06 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 3nqo h LEU 20 Cb 0.89 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 3nqo h LEU 20 CO 0.08 0.09 -0.00 0.15 -0.34 0.00 0.00 178.44 178.42 3nqo h PHE 21 N 0.34 0.03 -0.09 1.25 3.57 -1.11 -1.68 116.94 119.25 3nqo h PHE 21 Ca 0.28 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.64 3nqo h PHE 21 Cb 0.36 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3nqo h PHE 21 CO -0.19 0.40 -0.56 1.79 -2.23 0.00 0.00 178.31 177.52 3nqo h THR 22 N -0.35 1.36 -0.15 4.41 1.35 -1.28 -2.30 112.91 115.95 3nqo h THR 22 Ca 0.00 -1.88 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 3nqo h THR 22 Cb 0.40 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.72 3nqo h THR 22 CO 0.00 0.56 0.09 0.25 -0.25 0.00 0.00 175.52 176.17 3nqo h LEU 23 N 0.21 0.17 -1.10 3.87 5.85 -0.89 -1.41 115.31 122.01 3nqo h LEU 23 Ca 0.00 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3nqo h LEU 23 Cb 1.05 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 3nqo h LEU 23 CO 0.09 0.14 -0.08 0.71 -0.34 0.00 0.00 178.44 178.96 3nqo h THR 24 N 0.19 1.22 -0.21 1.05 1.35 -1.18 0.84 112.91 116.17 3nqo h THR 24 Ca 0.05 -0.96 0.03 0.00 -0.55 0.00 0.00 66.41 64.99 3nqo h THR 24 Cb -0.00 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 67.44 3nqo h THR 24 CO -0.01 0.32 0.00 0.78 -0.25 0.00 0.00 175.52 176.36 3nqo h ASN 25 N 0.51 -0.07 -0.25 5.36 2.35 -1.24 -0.39 115.58 121.85 3nqo h ASN 25 Ca 0.10 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3nqo h ASN 25 Cb 0.45 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 3nqo h ASN 25 CO 0.02 -0.01 -0.02 0.50 -1.65 0.00 0.00 177.43 176.28 3nqo h LYS 26 N 0.07 0.44 -0.49 0.81 3.64 -0.68 -2.14 116.57 118.23 3nqo h LYS 26 Ca 0.10 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 3nqo h LYS 26 Cb 0.12 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3nqo h LYS 26 CO -0.16 0.64 0.07 0.82 -2.27 0.00 0.00 179.45 178.54 3nqo h ILE 27 N 0.21 1.23 0.09 2.00 1.08 -0.81 0.11 117.51 121.42 3nqo h ILE 27 Ca 0.07 -0.87 -0.00 0.00 -0.39 0.00 0.00 64.86 63.66 3nqo h ILE 27 Cb 0.45 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 3nqo h ILE 27 CO 0.02 0.31 -0.05 -0.61 -0.69 0.00 0.00 178.15 177.13 3nqo h GLN 28 N 0.73 -0.13 -0.21 2.37 4.15 -1.01 0.17 115.11 121.19 3nqo h GLN 28 Ca 0.16 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 3nqo h GLN 28 Cb 0.35 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 3nqo h GLN 28 CO 0.01 -0.08 0.09 0.82 -1.93 0.00 0.00 178.83 177.73 3nqo h ILE 29 N -0.13 1.15 -0.44 2.39 1.08 -0.99 -0.78 117.51 119.79 3nqo h ILE 29 Ca -0.01 -0.46 -0.00 0.00 -0.39 0.00 0.00 64.86 64.00 3nqo h ILE 29 Cb 0.10 1.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 3nqo h ILE 29 CO 0.02 0.15 0.26 -0.33 -0.69 0.00 0.00 178.15 177.56 3nqo h GLU 30 N 0.20 0.61 -0.89 2.37 4.39 -0.75 -2.43 114.58 118.07 3nqo h GLU 30 Ca 0.07 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 3nqo h GLU 30 Cb 0.15 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 3nqo h GLU 30 CO -0.01 0.46 0.53 0.78 -1.16 0.00 0.00 179.01 179.62 3nqo h GLY 31 N 0.58 1.29 0.95 -3.84 0.00 -0.47 -1.27 103.07 100.30 3nqo h GLY 31 Ca 0.16 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 46.98 3nqo h GLY 31 CO -0.03 0.52 0.65 -0.55 0.00 0.00 0.00 176.54 177.13 3nqo h ASP 32 N 1.22 1.11 -0.52 0.19 3.32 -0.88 -0.04 116.42 120.83 3nqo h ASP 32 Ca 0.32 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.24 3nqo h ASP 32 Cb -0.05 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 3nqo h ASP 32 CO -0.06 0.79 -0.09 0.11 -1.72 0.00 0.00 179.24 178.27 3nqo h LYS 33 N 1.31 0.97 0.82 3.56 1.57 -0.83 -0.11 116.57 123.86 3nqo h LYS 33 Ca 0.38 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3nqo h LYS 33 Cb -0.09 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.17 3nqo h LYS 33 CO -0.10 1.03 -0.39 1.88 -0.57 0.00 0.00 179.45 181.29 3nqo h TYR 34 N 0.84 -1.02 -0.66 -1.35 -1.99 -0.96 -3.28 116.97 108.54 3nqo h TYR 34 Ca 0.13 -0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.90 3nqo h TYR 34 Cb 0.65 0.34 -0.06 0.00 2.00 0.00 0.00 36.73 39.66 3nqo h TYR 34 CO 0.05 -0.63 0.36 0.74 -0.00 0.00 0.00 178.16 178.67 3nqo h PHE 35 N -1.28 0.65 0.00 4.88 0.04 -1.04 -3.46 116.94 116.73 3nqo h PHE 35 Ca -0.11 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3nqo h PHE 35 Cb 0.85 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.80 3nqo h PHE 35 CO -0.00 0.30 0.00 0.41 -0.60 0.00 0.00 178.31 178.42 3nqo n GLY 36 N -1.29 1.38 0.00 -1.45 0.00 -0.06 -4.29 105.19 99.49 3nqo n GLY 36 Ca 0.08 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.18 3nqo n GLY 36 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3nqo n ILE 37 N 0.00 0.00 -4.24 -0.61 -5.35 -1.26 -4.91 119.36 102.98 3nqo n ILE 37 Ca 0.00 -0.16 -0.18 0.00 -0.27 0.00 0.00 62.75 62.14 3nqo n ILE 37 Cb 0.00 0.76 -0.11 0.00 -1.74 0.00 0.00 39.64 38.55 3nqo n ILE 37 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3nqo s LEU 38 N -3.23 2.42 0.64 7.28 1.43 -1.26 -5.14 118.68 120.81 3nqo s LEU 38 Ca 0.03 -0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 52.17 3nqo s LEU 38 Cb 0.13 -0.53 -0.02 0.00 0.03 0.00 0.00 46.19 45.80 3nqo s LEU 38 CO 0.76 -0.16 1.05 0.42 0.23 0.00 0.00 176.35 178.64 3nqo s THR 39 N -2.28 4.17 0.34 5.49 -4.23 -1.26 -4.72 115.64 113.15 3nqo s THR 39 Ca 0.10 0.81 0.09 0.00 -1.18 0.00 0.00 61.69 61.50 3nqo s THR 39 Cb -0.04 -3.52 0.32 0.00 1.34 0.00 0.00 72.50 70.60 3nqo s THR 39 CO 0.03 -0.82 1.83 0.28 -0.54 0.00 0.00 174.62 175.40 3nqo h SER 40 N -0.21 0.68 -0.31 3.99 0.02 -1.84 -0.80 113.55 115.07 3nqo h SER 40 Ca -0.45 0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 60.41 3nqo h SER 40 Cb 1.21 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 3nqo h SER 40 CO 0.58 0.30 -0.40 0.03 -1.14 0.00 0.00 176.83 176.20 3nqo h ARG 41 N 0.70 0.83 -0.39 3.45 3.08 -1.94 -2.96 114.38 117.14 3nqo h ARG 41 Ca 0.50 -0.47 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3nqo h ARG 41 Cb 0.84 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.91 3nqo h ARG 41 CO -0.26 1.11 0.24 1.96 -1.07 0.00 0.00 179.97 181.95 3nqo h GLN 42 N 0.60 0.52 0.00 0.04 4.20 -1.86 -1.83 115.11 116.79 3nqo h GLN 42 Ca 0.04 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3nqo h GLN 42 Cb 1.00 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.67 3nqo h GLN 42 CO 0.10 0.38 0.00 0.98 -0.67 0.00 0.00 178.83 179.61 3nqo n TYR 43 N -4.79 0.00 0.00 2.96 9.36 -0.34 -1.61 117.16 122.74 3nqo n TYR 43 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3nqo n TYR 43 Cb 0.04 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.75 3nqo n TYR 43 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 3nqo n THR 45 N 0.13 0.00 -0.14 2.97 -1.04 -0.69 -1.29 114.28 114.21 3nqo n THR 45 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 3nqo n THR 45 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 3nqo n THR 45 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3nqo h ILE 46 N 0.00 1.27 -0.36 12.58 2.04 -1.57 -2.14 117.51 129.33 3nqo h ILE 46 Ca 0.00 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.63 3nqo h ILE 46 Cb 0.00 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3nqo h ILE 46 CO 0.00 0.42 0.24 0.25 0.00 0.00 0.00 178.15 179.05 3nqo h LEU 47 N 0.65 0.41 -1.24 1.44 5.85 -1.45 -0.56 115.31 120.41 3nqo h LEU 47 Ca 0.10 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.93 3nqo h LEU 47 Cb 0.66 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 3nqo h LEU 47 CO 0.05 0.30 0.57 0.28 -0.34 0.00 0.00 178.44 179.29 3nqo h SER 48 N 0.48 0.74 -0.35 1.25 0.02 -1.78 -0.15 113.55 113.76 3nqo h SER 48 Ca 0.13 0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 3nqo h SER 48 Cb -0.05 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 3nqo h SER 48 CO -0.03 0.41 -0.38 0.40 -1.14 0.00 0.00 176.83 176.09 3nqo h ILE 49 N 0.80 1.28 0.00 3.27 2.04 -0.73 -2.98 117.51 121.19 3nqo h ILE 49 Ca 0.42 -1.56 -0.04 0.00 1.00 0.00 0.00 64.86 64.69 3nqo h ILE 49 Cb 0.53 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3nqo h ILE 49 CO -0.19 0.51 -0.20 -0.07 0.00 0.00 0.00 178.15 178.21 3nqo h LEU 50 N 0.67 0.00 -0.10 1.44 3.38 -0.19 -2.29 115.31 118.22 3nqo h LEU 50 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3nqo h LEU 50 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3nqo h LEU 50 CO 0.09 0.20 -0.08 1.41 0.09 0.00 0.00 178.44 180.15 3nqo n HIS 51 N -4.15 0.00 -3.94 1.13 8.25 -0.16 -4.85 115.22 111.51 3nqo n HIS 51 Ca -0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.13 3nqo n HIS 51 Cb 0.27 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 3nqo n HIS 51 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3nqo s LEU 52 N -2.60 4.29 0.39 2.41 1.43 -0.86 -5.08 118.68 118.65 3nqo s LEU 52 Ca 0.26 0.24 -0.27 0.00 -1.03 0.00 0.00 54.13 53.33 3nqo s LEU 52 Cb 0.20 -2.89 -0.09 0.00 0.03 0.00 0.00 46.19 43.44 3nqo s LEU 52 CO 0.49 0.17 1.34 -2.84 0.23 0.00 0.00 176.35 175.75 3nqo s PRO 53 N -2.47 4.05 0.27 1.29 0.02 -1.26 -4.92 135.00 131.98 3nqo s PRO 53 Ca 0.34 2.25 -0.03 0.00 0.02 0.00 0.00 61.00 63.58 3nqo s PRO 53 Cb -0.13 -2.85 0.56 0.00 0.02 0.00 0.00 34.50 32.10 3nqo s PRO 53 CO 0.27 -0.46 1.63 1.49 -0.33 0.00 0.00 177.00 179.60 3nqo h GLU 54 N 2.85 0.13 0.00 5.54 4.81 -1.92 0.16 114.58 126.16 3nqo h GLU 54 Ca -0.50 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3nqo h GLU 54 Cb 1.24 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3nqo h GLU 54 CO 0.63 0.08 0.00 0.93 -0.73 0.00 0.00 179.01 179.93 3nqo h GLU 55 N 0.13 0.00 -0.58 1.92 3.07 -1.96 -2.68 114.58 114.49 3nqo h GLU 55 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 3nqo h GLU 55 Cb 0.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 3nqo h GLU 55 CO -0.69 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.31 3nqo n GLU 56 N -3.07 3.63 -1.68 2.33 1.02 0.57 -4.75 120.64 118.70 3nqo n GLU 56 Ca -0.01 -2.82 -0.35 0.00 -0.02 0.00 0.00 57.16 53.96 3nqo n GLU 56 Cb 0.23 -1.85 -0.03 0.00 -0.02 0.00 0.00 31.44 29.77 3nqo n GLU 56 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3nqo n THR 57 N 0.89 4.51 -2.64 2.62 -2.24 -1.01 -4.67 114.28 111.73 3nqo n THR 57 Ca 0.24 -3.48 -0.25 0.00 -2.27 0.00 0.00 64.05 58.29 3nqo n THR 57 Cb 0.86 -2.08 0.02 0.00 -2.10 0.00 0.00 70.33 67.03 3nqo n THR 57 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3nqo s THR 58 N -0.52 3.90 0.22 4.28 -4.23 -1.25 -3.20 115.64 114.85 3nqo s THR 58 Ca 0.59 -0.17 -0.09 0.00 -1.18 0.00 0.00 61.69 60.85 3nqo s THR 58 Cb 0.23 -3.50 0.19 0.00 1.34 0.00 0.00 72.50 70.76 3nqo s THR 58 CO -0.11 -0.45 1.89 -0.07 -0.54 0.00 0.00 174.62 175.34 3nqo h LEU 59 N 0.08 0.91 -0.09 4.79 3.38 -1.92 -0.91 115.31 121.55 3nqo h LEU 59 Ca -0.46 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 3nqo h LEU 59 Cb 1.25 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3nqo h LEU 59 CO 0.59 0.65 0.04 -1.13 0.09 0.00 0.00 178.44 178.68 3nqo h ASN 60 N 1.08 0.13 -0.68 -0.43 -1.24 -1.94 0.22 115.58 112.71 3nqo h ASN 60 Ca 0.31 -0.15 -0.08 0.00 0.71 0.00 0.00 56.30 57.09 3nqo h ASN 60 Cb -0.07 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 38.92 3nqo h ASN 60 CO -0.08 0.24 0.11 0.78 -1.29 0.00 0.00 177.43 177.18 3nqo h ASN 61 N 0.01 1.08 -0.50 1.15 2.35 -1.81 -0.76 115.58 117.09 3nqo h ASN 61 Ca 0.03 -0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.48 3nqo h ASN 61 Cb 0.15 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3nqo h ASN 61 CO -0.00 1.07 0.17 0.40 -1.65 0.00 0.00 177.43 177.42 3nqo h ILE 62 N 1.05 1.22 -0.47 2.81 2.04 -1.12 -2.37 117.51 120.68 3nqo h ILE 62 Ca 0.21 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.39 3nqo h ILE 62 Cb 0.45 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3nqo h ILE 62 CO 0.01 0.27 0.22 0.00 0.00 0.00 0.00 178.15 178.65 3nqo h ALA 63 N 1.03 0.59 -0.48 1.87 0.00 -0.63 -3.00 119.26 118.63 3nqo h ALA 63 Ca 0.16 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3nqo h ALA 63 Cb 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3nqo h ALA 63 CO -0.01 -0.14 0.25 0.00 0.00 0.00 0.00 179.25 179.35 3nqo h ARG 64 N 0.43 0.68 -0.73 0.00 -0.00 -1.09 -1.58 114.38 112.09 3nqo h ARG 64 Ca 0.21 -0.09 0.00 0.00 -0.50 0.00 0.00 59.98 59.60 3nqo h ARG 64 Cb 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 29.99 3nqo h ARG 64 CO -0.17 0.55 0.00 1.17 0.00 0.00 0.00 179.97 181.52 3nqo n LYS 65 N -4.65 0.00 -0.73 0.04 3.00 -0.90 -4.67 118.16 110.25 3nqo n LYS 65 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.31 3nqo n LYS 65 Cb 0.09 -1.16 -0.02 0.00 0.00 0.00 0.00 35.03 33.94 3nqo n LYS 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3nqo n GLY 67 N 0.67 0.79 2.24 3.14 0.00 -0.70 -4.81 105.19 106.52 3nqo n GLY 67 Ca 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 3nqo n GLY 67 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3nqo n THR 68 N 0.03 0.00 -3.11 2.61 5.66 -0.68 -5.15 114.28 113.64 3nqo n THR 68 Ca -0.09 -1.61 -0.33 0.00 -3.05 0.00 0.00 64.05 58.97 3nqo n THR 68 Cb 0.63 0.62 -0.06 0.00 -1.55 0.00 0.00 70.33 69.96 3nqo n THR 68 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3nqo s SER 69 N -2.67 6.81 0.37 1.09 1.04 -1.26 -4.42 113.70 114.65 3nqo s SER 69 Ca 0.16 1.32 0.16 0.00 0.48 0.00 0.00 55.95 58.07 3nqo s SER 69 Cb 0.01 -2.39 1.05 0.00 0.10 0.00 0.00 66.02 64.79 3nqo s SER 69 CO 0.11 -0.20 1.75 0.11 0.98 0.00 0.00 173.24 175.99 3nqo h LYS 70 N 2.30 0.42 -0.27 4.02 1.57 -1.92 -2.18 116.57 120.51 3nqo h LYS 70 Ca -0.48 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 3nqo h LYS 70 Cb 1.18 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3nqo h LYS 70 CO 0.65 0.28 0.09 1.96 -0.57 0.00 0.00 179.45 181.86 3nqo h GLN 71 N 0.44 0.43 -0.65 3.15 7.50 -1.95 -0.21 115.11 123.81 3nqo h GLN 71 Ca 0.63 -0.09 -0.04 0.00 0.50 0.00 0.00 58.65 59.65 3nqo h GLN 71 Cb 1.47 -0.06 -0.03 0.00 0.05 0.00 0.00 27.48 28.91 3nqo h GLN 71 CO -0.37 0.48 0.25 -0.91 -1.50 0.00 0.00 178.83 176.79 3nqo h ASN 72 N 0.28 0.87 0.21 1.46 2.35 -1.80 -2.12 115.58 116.82 3nqo h ASN 72 Ca 0.09 -0.12 -0.17 0.00 -0.55 0.00 0.00 56.30 55.55 3nqo h ASN 72 Cb 0.23 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3nqo h ASN 72 CO -0.00 0.78 -0.64 0.40 -1.65 0.00 0.00 177.43 176.31 3nqo h ILE 73 N 0.93 1.36 -0.42 2.81 1.08 -1.34 -1.48 117.51 120.45 3nqo h ILE 73 Ca 0.22 -1.99 0.02 0.00 -0.39 0.00 0.00 64.86 62.71 3nqo h ILE 73 Cb 0.19 1.98 -0.03 0.00 -3.07 0.00 0.00 36.82 35.89 3nqo h ILE 73 CO -0.02 0.60 0.26 -1.13 -0.69 0.00 0.00 178.15 177.17 3nqo h ASN 74 N 0.30 0.43 0.06 1.72 -1.24 -0.75 0.18 115.58 116.28 3nqo h ASN 74 Ca -0.01 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 3nqo h ASN 74 Cb 1.19 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.15 3nqo h ASN 74 CO 0.11 0.31 -0.03 0.03 -1.29 0.00 0.00 177.43 176.56 3nqo h ARG 75 N 0.52 -0.08 -0.73 6.67 3.08 -1.15 -2.16 114.38 120.53 3nqo h ARG 75 Ca 0.17 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.32 3nqo h ARG 75 Cb -0.01 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 29.98 3nqo h ARG 75 CO -0.07 0.12 0.36 -0.07 -1.07 0.00 0.00 179.97 179.25 3nqo h LEU 76 N -0.27 0.46 -0.52 3.04 3.38 -1.18 -2.23 115.31 117.98 3nqo h LEU 76 Ca -0.01 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 3nqo h LEU 76 Cb 0.24 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3nqo h LEU 76 CO 0.01 0.25 -0.40 0.58 0.09 0.00 0.00 178.44 178.97 3nqo h VAL 77 N 0.60 1.29 -0.72 1.22 2.07 -0.56 -1.42 116.25 118.72 3nqo h VAL 77 Ca 0.37 -1.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 3nqo h VAL 77 Cb 0.42 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 3nqo h VAL 77 CO -0.29 0.51 0.34 0.00 0.02 0.00 0.00 177.57 178.15 3nqo h ALA 78 N 0.92 1.24 -0.34 1.67 0.00 -1.21 -0.70 119.26 120.83 3nqo h ALA 78 Ca 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3nqo h ALA 78 Cb 0.95 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3nqo h ALA 78 CO 0.09 0.58 0.12 -0.97 0.00 0.00 0.00 179.25 179.07 3nqo h ASN 79 N 1.02 0.49 -0.82 0.00 -0.73 -1.16 -2.07 115.58 112.31 3nqo h ASN 79 Ca 0.25 -0.18 -0.04 0.00 1.87 0.00 0.00 56.30 58.19 3nqo h ASN 79 Cb 0.12 -0.13 -0.04 0.00 0.27 0.00 0.00 38.32 38.54 3nqo h ASN 79 CO -0.03 0.54 0.35 -0.07 -0.37 0.00 0.00 177.43 177.85 3nqo h LEU 80 N 0.41 1.11 -0.50 0.34 3.38 -0.95 -2.74 115.31 116.35 3nqo h LEU 80 Ca 0.11 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3nqo h LEU 80 Cb 0.22 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3nqo h LEU 80 CO -0.01 0.96 0.02 -0.08 0.09 0.00 0.00 178.44 179.43 3nqo h GLU 81 N 1.18 0.87 -0.12 1.13 4.81 -1.05 -0.60 114.58 120.79 3nqo h GLU 81 Ca 0.28 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 3nqo h GLU 81 Cb 0.18 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3nqo h GLU 81 CO -0.03 0.89 -0.27 1.57 -0.73 0.00 0.00 179.01 180.44 3nqo h LYS 82 N 0.73 0.22 0.00 1.92 -0.00 -1.27 -1.45 116.57 116.73 3nqo h LYS 82 Ca 0.14 -0.08 0.00 0.00 -0.00 0.00 0.00 60.65 60.72 3nqo h LYS 82 Cb 0.49 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 32.70 3nqo h LYS 82 CO 0.02 0.48 0.00 0.09 -0.00 0.00 0.00 179.45 180.04 3nqo n ASN 83 N -4.15 0.00 0.00 7.07 3.02 -1.04 -4.92 115.26 115.23 3nqo n ASN 83 Ca -0.01 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 3nqo n ASN 83 Cb 0.37 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 3nqo n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3nqo n GLY 84 N 0.91 0.42 0.10 7.41 0.00 -0.54 -4.96 105.19 108.53 3nqo n GLY 84 Ca 0.09 -0.99 0.02 0.00 0.00 0.00 0.00 46.02 45.14 3nqo n GLY 84 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3nqo n TYR 85 N -3.20 1.00 -4.10 1.61 4.01 -0.26 -4.29 117.16 111.92 3nqo n TYR 85 Ca 0.00 0.32 -0.10 0.00 -0.16 0.00 0.00 57.90 57.96 3nqo n TYR 85 Cb 0.13 -1.07 -0.11 0.00 -0.31 0.00 0.00 39.34 37.98 3nqo n TYR 85 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3nqo s VAL 86 N -2.99 0.50 -0.08 -0.72 -7.23 -1.21 -2.17 120.40 106.49 3nqo s VAL 86 Ca -0.02 -1.56 0.01 0.00 -1.81 0.00 0.00 61.98 58.60 3nqo s VAL 86 Cb 0.09 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 3nqo s VAL 86 CO 0.81 -0.72 -0.10 -1.81 -0.31 0.00 0.00 175.10 172.97 3nqo s ASP 87 N -2.43 4.37 -0.23 4.85 1.01 0.73 -4.31 116.67 120.66 3nqo s ASP 87 Ca 0.02 -0.13 -0.03 0.00 0.71 0.00 0.00 52.55 53.12 3nqo s ASP 87 Cb -0.00 -1.17 0.00 0.00 1.01 0.00 0.00 42.92 42.76 3nqo s ASP 87 CO -0.04 0.32 -0.06 -0.69 0.21 0.00 0.00 175.17 174.91 3nqo s VAL 88 N -0.54 3.14 0.33 -1.27 1.01 -1.26 -0.85 120.40 120.97 3nqo s VAL 88 Ca 0.08 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.48 3nqo s VAL 88 Cb -0.12 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 3nqo s VAL 88 CO 0.02 0.37 -0.01 0.27 0.00 0.00 0.00 175.10 175.74 3nqo s ILE 89 N 1.43 2.61 0.47 2.22 -4.36 -0.47 -4.99 121.20 118.10 3nqo s ILE 89 Ca 0.04 -2.02 -0.24 0.00 -0.26 0.00 0.00 60.65 58.18 3nqo s ILE 89 Cb -0.15 -2.75 -0.07 0.00 1.25 0.00 0.00 42.46 40.74 3nqo s ILE 89 CO -0.04 -0.22 1.26 -2.84 0.24 0.00 0.00 174.94 173.34 3nqo s PRO 90 N -3.69 3.66 0.27 0.37 0.02 -1.26 -1.45 135.00 132.92 3nqo s PRO 90 Ca 0.34 2.02 -0.29 0.00 0.02 0.00 0.00 61.00 63.09 3nqo s PRO 90 Cb -0.00 -2.48 -0.10 0.00 0.02 0.00 0.00 34.50 31.94 3nqo s PRO 90 CO 0.19 -0.71 1.31 0.45 -0.33 0.00 0.00 177.00 177.91 3nqo s SER 91 N -1.05 6.84 0.37 2.53 0.15 -0.78 -4.44 113.70 117.32 3nqo s SER 91 Ca 0.64 2.56 0.27 0.00 0.70 0.00 0.00 55.95 60.11 3nqo s SER 91 Cb -0.35 -2.63 0.84 0.00 -1.71 0.00 0.00 66.02 62.17 3nqo s SER 91 CO 0.43 -0.52 1.77 1.55 1.20 0.00 0.00 173.24 177.66 3nqo h PRO 92 N 4.31 0.00 0.05 5.44 0.13 -1.91 -3.33 132.00 136.70 3nqo h PRO 92 Ca -0.47 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.33 3nqo h PRO 92 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 3nqo h PRO 92 CO 0.71 0.00 -1.91 0.72 -0.23 0.00 0.00 178.00 177.29 3nqo n HIS 93 N -2.71 0.99 -3.81 1.56 8.25 -1.26 -4.95 115.22 113.30 3nqo n HIS 93 Ca 0.03 0.28 -0.18 0.00 -0.26 0.00 0.00 57.72 57.59 3nqo n HIS 93 Cb 0.39 -1.16 -0.17 0.00 1.12 0.00 0.00 29.99 30.18 3nqo n HIS 93 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3nqo s ASP 94 N -6.46 0.71 0.40 0.41 2.15 -1.25 -5.05 116.67 107.58 3nqo s ASP 94 Ca -0.14 0.01 0.21 0.00 0.43 0.00 0.00 52.55 53.06 3nqo s ASP 94 Cb 0.07 -0.20 0.76 0.00 -0.30 0.00 0.00 42.92 43.25 3nqo s ASP 94 CO 0.79 -0.16 1.76 0.07 -0.17 0.00 0.00 175.17 177.46 3nqo h LYS 95 N 7.73 0.00 0.00 4.34 2.10 -1.93 -2.80 116.57 126.01 3nqo h LYS 95 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 3nqo h LYS 95 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 3nqo h LYS 95 CO 0.36 0.30 0.00 0.07 -2.00 0.00 0.00 179.45 178.17 3nqo h ARG 96 N 0.00 0.00 -6.30 0.07 -0.00 -1.96 -3.47 114.38 102.72 3nqo h ARG 96 Ca -0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 59.98 59.52 3nqo h ARG 96 Cb 0.86 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.82 3nqo h ARG 96 CO 0.04 0.00 -0.34 0.00 -0.00 0.00 0.00 179.97 179.67 3nqo s ALA 97 N -3.36 4.22 0.36 0.08 0.00 -1.06 -5.05 121.76 116.95 3nqo s ALA 97 Ca 0.05 -1.68 0.09 0.00 0.00 0.00 0.00 51.96 50.42 3nqo s ALA 97 Cb 0.08 -1.40 -0.06 0.00 0.00 0.00 0.00 23.12 21.75 3nqo s ALA 97 CO 0.57 -0.16 0.01 0.96 0.00 0.00 0.00 175.76 177.14 3nqo s ILE 98 N -2.33 2.44 0.12 0.00 -4.36 -1.26 -1.87 121.20 113.94 3nqo s ILE 98 Ca 0.48 -1.99 0.08 0.00 -0.26 0.00 0.00 60.65 58.97 3nqo s ILE 98 Cb -0.07 -2.81 -0.04 0.00 1.25 0.00 0.00 42.46 40.79 3nqo s ILE 98 CO 0.30 -0.15 -0.20 0.20 0.24 0.00 0.00 174.94 175.32 3nqo s ASN 99 N -3.72 2.59 -0.15 4.36 0.02 -0.53 -3.74 114.94 113.77 3nqo s ASN 99 Ca 0.35 -0.74 0.01 0.00 -1.02 0.00 0.00 52.86 51.46 3nqo s ASN 99 Cb 0.02 -0.15 0.02 0.00 0.02 0.00 0.00 41.25 41.16 3nqo s ASN 99 CO 0.19 0.03 -0.17 -0.69 0.02 0.00 0.00 177.10 176.48 3nqo s VAL 100 N -1.41 1.79 -0.10 1.60 1.01 -1.19 -1.37 120.40 120.73 3nqo s VAL 100 Ca 0.09 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 3nqo s VAL 100 Cb -0.09 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3nqo s VAL 100 CO 0.05 0.50 -0.02 -0.54 0.00 0.00 0.00 175.10 175.09 3nqo s LYS 101 N 1.26 3.08 -0.00 2.72 3.01 -0.03 -4.90 119.74 124.88 3nqo s LYS 101 Ca 0.02 -0.45 -0.27 0.00 -1.01 0.00 0.00 55.97 54.25 3nqo s LYS 101 Cb -0.14 -2.78 -0.04 0.00 -1.01 0.00 0.00 37.83 33.86 3nqo s LYS 101 CO -0.09 0.61 0.87 0.08 0.51 0.00 0.00 175.35 177.32 3nqo s VAL 102 N -0.63 4.86 0.84 3.17 1.01 -1.26 -0.19 120.40 128.20 3nqo s VAL 102 Ca 0.10 1.82 -0.13 0.00 0.00 0.00 0.00 61.98 63.77 3nqo s VAL 102 Cb -0.12 -4.21 0.11 0.00 0.00 0.00 0.00 36.38 32.16 3nqo s VAL 102 CO 0.02 0.23 1.21 0.42 0.00 0.00 0.00 175.10 176.98 3nqo s THR 103 N 0.68 2.01 0.25 3.92 -4.23 -0.92 -4.86 115.64 112.49 3nqo s THR 103 Ca 0.45 -0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.93 3nqo s THR 103 Cb -0.20 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 70.87 3nqo s THR 103 CO 0.25 0.00 1.79 0.44 -0.54 0.00 0.00 174.62 176.56 3nqo h ASP 104 N -1.19 0.63 -0.38 3.99 5.19 -1.90 -0.39 116.42 122.38 3nqo h ASP 104 Ca -0.46 0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 55.99 3nqo h ASP 104 Cb 1.31 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.75 3nqo h ASP 104 CO 0.59 0.33 0.12 0.25 -3.12 0.00 0.00 179.24 177.41 3nqo h LEU 105 N 0.74 0.56 -0.34 1.55 5.85 -1.91 -0.88 115.31 120.87 3nqo h LEU 105 Ca 0.43 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.98 3nqo h LEU 105 Cb 0.48 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3nqo h LEU 105 CO -0.29 0.62 0.11 1.23 -0.34 0.00 0.00 178.44 179.77 3nqo h GLY 106 N 0.47 0.43 1.05 3.75 0.00 -1.60 -0.97 103.07 106.19 3nqo h GLY 106 Ca 0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 3nqo h GLY 106 CO -0.00 0.02 0.36 0.50 0.00 0.00 0.00 176.54 177.42 3nqo h LYS 107 N 0.25 1.22 0.06 4.80 1.57 -0.95 -3.07 116.57 120.45 3nqo h LYS 107 Ca 0.16 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3nqo h LYS 107 Cb 0.14 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3nqo h LYS 107 CO -0.17 0.96 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.39 3nqo h LYS 108 N 1.19 -0.14 -1.71 3.15 3.64 -0.71 -1.08 116.57 120.92 3nqo h LYS 108 Ca 0.28 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3nqo h LYS 108 Cb 0.18 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3nqo h LYS 108 CO -0.03 -0.09 0.00 0.28 -2.27 0.00 0.00 179.45 177.34 3nqo n VAL 109 N -5.17 0.10 0.00 2.00 0.31 -0.41 -2.57 118.33 112.59 3nqo n VAL 109 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3nqo n VAL 109 Cb 0.10 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 3nqo n VAL 109 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3nqo n VAL 111 N 0.90 0.00 0.00 2.52 0.31 -0.41 -1.01 118.33 120.63 3nqo n VAL 111 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 3nqo n VAL 111 Cb 0.05 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.89 3nqo n VAL 111 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3nqo h THR 112 N 0.00 1.28 -0.28 2.52 2.02 -1.78 -2.78 112.91 113.90 3nqo h THR 112 Ca 0.00 -0.81 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 3nqo h THR 112 Cb 0.00 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.22 3nqo h THR 112 CO 0.00 0.21 0.02 0.00 0.37 0.00 0.00 175.52 176.13 3nqo h SER 114 N 0.40 0.90 0.16 0.00 0.02 -1.80 0.26 113.55 113.50 3nqo h SER 114 Ca 0.09 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3nqo h SER 114 Cb 0.23 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3nqo h SER 114 CO 0.00 0.91 -0.12 -0.09 -1.14 0.00 0.00 176.83 176.39 3nqo h ARG 115 N 0.85 -0.28 -0.81 3.45 9.65 -1.28 -2.01 114.38 123.94 3nqo h ARG 115 Ca 0.18 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.13 3nqo h ARG 115 Cb 0.37 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.96 3nqo h ARG 115 CO 0.01 -0.18 0.53 1.15 2.80 0.00 0.00 179.97 184.28 3nqo h THR 116 N -0.29 1.08 -0.85 0.20 2.02 -1.42 -2.19 112.91 111.46 3nqo h THR 116 Ca -0.01 -0.32 0.12 0.00 0.77 0.00 0.00 66.41 66.97 3nqo h THR 116 Cb 0.25 0.06 -0.06 0.00 -1.74 0.00 0.00 68.15 66.66 3nqo h THR 116 CO -0.00 0.17 0.55 1.23 0.37 0.00 0.00 175.52 177.84 3nqo h GLY 117 N 0.94 1.15 1.05 2.16 0.00 -0.10 -1.17 103.07 107.10 3nqo h GLY 117 Ca 0.34 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 3nqo h GLY 117 CO -0.11 0.14 0.18 -2.22 0.00 0.00 0.00 176.54 174.53 3nqo h ILE 118 N 0.74 1.26 -0.31 2.60 2.04 -0.70 -2.70 117.51 120.43 3nqo h ILE 118 Ca 0.41 -0.93 -0.11 0.00 1.00 0.00 0.00 64.86 65.23 3nqo h ILE 118 Cb 0.56 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3nqo h ILE 118 CO -0.18 0.36 -0.27 0.78 0.00 0.00 0.00 178.15 178.84 3nqo h ASN 119 N 1.02 0.63 0.00 1.72 2.35 -1.42 -2.64 115.58 117.24 3nqo h ASN 119 Ca 0.22 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3nqo h ASN 119 Cb 0.35 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3nqo h ASN 119 CO -0.00 0.87 0.00 0.33 -1.65 0.00 0.00 177.43 176.98 3nqo n PHE 120 N -4.10 0.00 0.00 1.19 7.35 -0.49 -1.91 117.46 119.49 3nqo n PHE 120 Ca -0.00 -0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 3nqo n PHE 120 Cb 0.44 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 40.21 3nqo n PHE 120 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3nqo n ALA 122 N 0.54 0.00 -0.03 3.13 0.00 -1.00 -0.90 120.51 122.25 3nqo n ALA 122 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3nqo n ALA 122 Cb 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 3nqo n ALA 122 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3nqo h ASP 123 N 0.00 0.32 -0.81 0.00 3.32 -1.68 -2.60 116.42 114.97 3nqo h ASP 123 Ca 0.00 -0.65 0.04 0.00 0.02 0.00 0.00 57.03 56.44 3nqo h ASP 123 Cb 0.00 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 3nqo h ASP 123 CO 0.00 0.92 0.53 0.58 -1.72 0.00 0.00 179.24 179.55 3nqo h VAL 124 N -0.27 1.11 -0.25 -1.35 2.07 -1.29 -3.09 116.25 113.19 3nqo h VAL 124 Ca -0.02 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3nqo h VAL 124 Cb 0.91 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3nqo h VAL 124 CO 0.05 0.18 0.00 0.49 0.02 0.00 0.00 177.57 178.31 3nqo n PHE 125 N -4.46 0.68 0.29 1.57 3.72 -1.24 -4.71 117.46 113.31 3nqo n PHE 125 Ca 0.11 -0.75 0.14 0.00 -0.05 0.00 0.00 57.45 56.90 3nqo n PHE 125 Cb 0.13 -0.20 0.85 0.00 -0.94 0.00 0.00 39.48 39.32 3nqo n PHE 125 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 3nqo h HIS 126 N 1.65 0.00 0.00 1.38 2.07 -1.37 -1.49 115.15 117.39 3nqo h HIS 126 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3nqo h HIS 126 Cb 1.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.13 3nqo h HIS 126 CO 0.35 0.04 -0.37 0.39 -3.07 0.00 0.00 177.93 175.28 3nqo n GLU 127 N -3.77 0.04 -3.08 5.12 1.02 -1.26 -4.87 120.64 113.83 3nqo n GLU 127 Ca -0.03 0.02 -0.39 0.00 -0.02 0.00 0.00 57.16 56.74 3nqo n GLU 127 Cb 0.14 -1.53 -0.05 0.00 -0.02 0.00 0.00 31.44 29.98 3nqo n GLU 127 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3nqo s PHE 128 N -3.02 3.66 0.82 -0.32 0.40 -0.56 -5.08 117.98 113.88 3nqo s PHE 128 Ca 0.11 1.30 -0.11 0.00 -0.60 0.00 0.00 56.93 57.63 3nqo s PHE 128 Cb 0.17 -2.74 0.08 0.00 0.51 0.00 0.00 43.02 41.04 3nqo s PHE 128 CO 0.65 0.24 1.09 0.95 0.70 0.00 0.00 175.22 178.85 3nqo s THR 129 N 0.19 3.04 0.22 0.64 -4.23 -1.26 -4.93 115.64 109.31 3nqo s THR 129 Ca 0.35 0.34 -0.07 0.00 -1.18 0.00 0.00 61.69 61.13 3nqo s THR 129 Cb -0.19 -3.00 0.18 0.00 1.34 0.00 0.00 72.50 70.84 3nqo s THR 129 CO 0.19 -0.44 1.83 0.50 -0.54 0.00 0.00 174.62 176.16 3nqo h LYS 130 N -1.19 0.81 -0.44 3.99 1.63 -1.97 -2.12 116.57 117.28 3nqo h LYS 130 Ca -0.47 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.20 3nqo h LYS 130 Cb 1.27 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.69 3nqo h LYS 130 CO 0.57 0.54 -0.06 -0.44 -3.45 0.00 0.00 179.45 176.61 3nqo h ASP 131 N 0.83 0.72 0.09 4.20 3.32 -2.00 -1.75 116.42 121.85 3nqo h ASP 131 Ca 0.34 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 3nqo h ASP 131 Cb 0.17 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3nqo h ASP 131 CO -0.17 0.83 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.60 3nqo h GLU 132 N 0.69 0.26 -0.25 3.56 5.08 -1.85 -1.26 114.58 120.81 3nqo h GLU 132 Ca 0.13 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3nqo h GLU 132 Cb 0.50 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3nqo h GLU 132 CO 0.03 0.49 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.36 3nqo h LEU 133 N 0.23 0.51 -0.81 1.33 3.38 -1.01 -0.03 115.31 118.91 3nqo h LEU 133 Ca 0.04 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3nqo h LEU 133 Cb 0.56 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3nqo h LEU 133 CO 0.04 0.79 0.49 -0.33 0.09 0.00 0.00 178.44 179.51 3nqo h GLU 134 N 0.23 1.10 -0.05 1.13 5.08 -1.13 -0.57 114.58 120.37 3nqo h GLU 134 Ca 0.06 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3nqo h GLU 134 Cb 0.59 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3nqo h GLU 134 CO 0.03 0.78 0.02 1.15 -1.00 0.00 0.00 179.01 179.99 3nqo h THR 135 N 1.11 1.09 -0.16 1.13 2.02 -1.11 -1.01 112.91 115.98 3nqo h THR 135 Ca 0.29 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 67.24 3nqo h THR 135 Cb -0.04 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3nqo h THR 135 CO -0.05 0.07 0.01 0.25 0.37 0.00 0.00 175.52 176.17 3nqo h LEU 136 N -0.03 -0.03 -0.35 2.58 5.85 -0.75 -1.25 115.31 121.34 3nqo h LEU 136 Ca 0.02 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3nqo h LEU 136 Cb 0.10 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3nqo h LEU 136 CO -0.00 0.01 0.20 -0.25 -0.34 0.00 0.00 178.44 178.06 3nqo h TRP 137 N 0.07 0.38 -0.70 1.25 7.01 -1.05 -0.67 115.95 122.25 3nqo h TRP 137 Ca 0.07 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.13 3nqo h TRP 137 Cb 0.08 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 26.97 3nqo h TRP 137 CO -0.14 0.23 0.42 1.03 -2.79 0.00 0.00 178.44 177.18 3nqo h SER 138 N 0.42 0.66 0.32 2.65 0.87 -0.91 -0.88 113.55 116.68 3nqo h SER 138 Ca 0.14 0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.55 3nqo h SER 138 Cb 0.00 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3nqo h SER 138 CO -0.06 0.44 -0.65 -0.07 -0.53 0.00 0.00 176.83 175.96 3nqo h LEU 139 N 0.80 0.35 -0.35 2.23 3.38 -0.58 -1.89 115.31 119.26 3nqo h LEU 139 Ca 0.29 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3nqo h LEU 139 Cb 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3nqo h LEU 139 CO -0.14 0.91 -0.24 -0.07 0.09 0.00 0.00 178.44 178.99 3nqo h LEU 140 N 0.22 0.81 -1.04 1.67 3.38 -0.96 -2.91 115.31 116.47 3nqo h LEU 140 Ca -0.01 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.58 3nqo h LEU 140 Cb 1.19 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 3nqo h LEU 140 CO 0.11 1.07 0.64 0.11 0.09 0.00 0.00 178.44 180.45 3nqo h LYS 141 N 0.56 1.13 -1.29 1.13 1.57 -1.07 -1.75 116.57 116.85 3nqo h LYS 141 Ca 0.07 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3nqo h LYS 141 Cb 0.80 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3nqo h LYS 141 CO 0.06 0.75 0.00 1.17 -0.57 0.00 0.00 179.45 180.87 3nqo n LYS 142 N -4.48 0.25 0.00 3.15 4.81 -0.72 -3.19 118.16 117.98 3nqo n LYS 142 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 3nqo n LYS 142 Cb 0.17 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 33.92 3nqo n LYS 142 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 3nqo n TYR 144 N 0.72 0.00 -0.23 5.64 4.19 -0.66 -3.70 117.16 123.12 3nqo n TYR 144 Ca 0.00 0.00 0.03 0.00 3.31 0.00 0.00 57.90 61.24 3nqo n TYR 144 Cb 0.10 0.00 0.25 0.00 0.49 0.00 0.00 39.34 40.18 3nqo n TYR 144 CO 0.00 0.00 0.00 2.89 0.91 0.00 0.00 176.86 180.66 3nqo n ARG 145 N 0.00 3.34 0.05 2.98 1.85 -1.19 -4.53 116.66 119.15 3nqo n ARG 145 Ca 0.00 -2.01 0.20 0.00 -1.00 0.00 0.00 57.85 55.04 3nqo n ARG 145 Cb 0.00 -1.97 0.72 0.00 -1.05 0.00 0.00 32.46 30.16 3nqo n ARG 145 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3nqo h PHE 146 N 2.37 0.00 -0.68 2.89 -0.00 -1.84 -0.60 116.94 119.08 3nqo h PHE 146 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.01 3nqo h PHE 146 Cb 1.52 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.47 3nqo h PHE 146 CO 0.73 0.00 0.00 0.27 -0.00 0.00 0.00 178.31 179.31 3nqo n ASN 147 N -4.20 3.84 0.00 -0.68 6.94 -1.26 -4.97 115.26 114.94 3nqo n ASN 147 Ca 0.08 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.64 3nqo n ASN 147 Cb 0.56 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 3nqo n ASN 147 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3nqo n GLY 148 N 1.55 0.30 3.44 4.83 0.00 -0.23 -5.06 105.19 110.02 3nqo n GLY 148 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 3nqo n GLY 148 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nqo s GLU 149 N -0.91 3.59 0.24 1.61 8.01 -1.26 -5.06 118.70 124.92 3nqo s GLU 149 Ca 0.00 -0.55 0.02 0.00 0.01 0.00 0.00 54.97 54.45 3nqo s GLU 149 Cb 0.00 -2.96 -0.03 0.00 -4.31 0.00 0.00 34.13 26.83 3nqo s GLU 149 CO 0.00 0.10 0.40 -1.21 0.01 0.00 0.00 175.26 174.56 3nqo s GLU 150 N 0.73 3.47 0.61 1.61 2.02 -1.26 -3.97 118.70 121.91 3nqo s GLU 150 Ca -0.02 -0.54 -0.19 0.00 0.02 0.00 0.00 54.97 54.25 3nqo s GLU 150 Cb -0.14 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.22 3nqo s GLU 150 CO 0.02 0.37 1.25 -1.14 0.02 0.00 0.00 175.26 175.78 3nqo s GLN 151 N -3.80 2.80 -0.63 1.61 0.74 -1.26 -5.01 119.66 114.12 3nqo s GLN 151 Ca 0.37 1.93 0.01 0.00 0.05 0.00 0.00 55.36 57.71 3nqo s GLN 151 Cb -0.10 -1.90 0.16 0.00 1.10 0.00 0.00 33.01 32.27 3nqo s GLN 151 CO 0.31 -1.37 0.43 0.34 -0.55 0.00 0.00 175.29 174.44 3nqo s ASP 152 N -1.50 4.94 0.00 6.67 -1.08 -1.26 -5.10 116.67 119.34 3nqo s ASP 152 Ca 0.80 -3.15 0.00 0.00 -0.52 0.00 0.00 52.55 49.67 3nqo s ASP 152 Cb -0.33 -1.76 0.00 0.00 -1.46 0.00 0.00 42.92 39.37 3nqo s ASP 152 CO 0.36 -0.26 0.00 0.61 0.52 0.00 0.00 175.17 176.40 3nqo n GLY 153 N 3.01 -0.25 3.48 2.66 0.00 -1.26 -4.68 105.19 108.15 3nqo n GLY 153 Ca 0.10 -1.55 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 3nqo n GLY 153 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3nqo s PHE 154 N 0.00 2.12 0.00 1.61 0.40 -1.26 -5.09 117.98 115.76 3nqo s PHE 154 Ca 0.00 -0.72 0.00 0.00 -0.60 0.00 0.00 56.93 55.61 3nqo s PHE 154 Cb 0.00 -1.31 0.00 0.00 0.51 0.00 0.00 43.02 42.22 3nqo s PHE 154 CO 0.00 0.29 0.00 -1.91 0.70 0.00 0.00 175.22 174.30 3nqo n GLU 164 N -0.71 0.00 0.05 0.44 0.00 -1.26 -5.24 120.64 113.92 3nqo n GLU 164 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.11 3nqo n GLU 164 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.09 3nqo n GLU 164 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3nqo n GLU 165 N 0.00 0.00 -0.16 5.31 4.07 -1.26 -4.96 120.64 123.64 3nqo n GLU 165 Ca 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 3nqo n GLU 165 Cb 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.30 3nqo n GLU 165 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3nqo h ILE 166 N 0.00 0.03 0.00 6.31 2.04 -2.08 -3.08 117.51 120.73 3nqo h ILE 166 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3nqo h ILE 166 Cb 0.00 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.11 3nqo h ILE 166 CO 0.00 0.00 -0.04 0.44 0.00 0.00 0.00 178.15 178.55 3nqo h ASP 167 N -0.34 0.00 1.37 1.72 5.19 -2.06 -2.63 116.42 119.68 3nqo h ASP 167 Ca 0.11 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.45 3nqo h ASP 167 Cb 0.58 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 3nqo h ASP 167 CO -0.63 0.04 -0.33 0.11 -3.12 0.00 0.00 179.24 175.32 3nqo h LYS 168 N 0.00 0.00 -6.13 3.56 1.79 -1.92 -3.45 116.57 110.43 3nqo h LYS 168 Ca -0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 3nqo h LYS 168 Cb 0.15 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.75 3nqo h LYS 168 CO 0.01 0.33 0.86 0.42 -1.08 0.00 0.00 179.45 179.98 3nqo s ILE 169 N -3.24 4.44 0.48 1.86 1.01 -0.99 -4.99 121.20 119.76 3nqo s ILE 169 Ca 0.03 1.74 -0.08 0.00 0.00 0.00 0.00 60.65 62.34 3nqo s ILE 169 Cb 0.08 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 3nqo s ILE 169 CO 0.69 -0.17 0.83 -0.54 0.00 0.00 0.00 174.94 175.75 3nqo s LYS 170 N 3.40 3.65 0.35 2.79 1.02 -1.26 -4.97 119.74 124.72 3nqo s LYS 170 Ca 0.50 0.41 0.14 0.00 0.02 0.00 0.00 55.97 57.04 3nqo s LYS 170 Cb -0.19 -2.32 0.63 0.00 -0.52 0.00 0.00 37.83 35.43 3nqo s LYS 170 CO 0.11 -0.21 1.75 0.66 -0.92 0.00 0.00 175.35 176.75 3nqo h SER 171 N 0.53 0.00 -0.18 2.83 4.64 -1.99 -2.52 113.55 116.86 3nqo h SER 171 Ca -0.47 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 3nqo h SER 171 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3nqo h SER 171 CO 0.62 0.44 0.02 1.05 -0.87 0.00 0.00 176.83 178.09 3nqo h GLU 172 N 0.00 0.41 -0.35 4.77 -0.00 -1.99 -0.92 114.58 116.51 3nqo h GLU 172 Ca -0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 59.36 59.26 3nqo h GLU 172 Cb 0.83 -0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 29.50 3nqo h GLU 172 CO 0.06 0.43 0.11 0.00 -0.00 0.00 0.00 179.01 179.60 3nqo h ALA 173 N 1.62 0.46 -0.15 1.06 0.00 -1.85 -0.67 119.26 119.73 3nqo h ALA 173 Ca 0.09 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 3nqo h ALA 173 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3nqo h ALA 173 CO 0.00 0.10 -0.53 -0.07 0.00 0.00 0.00 179.25 178.75 3nqo h LEU 174 N 0.41 0.48 -0.24 0.00 3.38 -1.35 0.36 115.31 118.35 3nqo h LEU 174 Ca 0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3nqo h LEU 174 Cb 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3nqo h LEU 174 CO -0.00 0.92 0.11 -0.33 0.09 0.00 0.00 178.44 179.22 3nqo h GLU 175 N 0.34 0.35 -0.49 1.13 5.08 -1.11 -0.79 114.58 119.09 3nqo h GLU 175 Ca 0.01 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3nqo h GLU 175 Cb 1.04 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 3nqo h GLU 175 CO 0.09 0.37 0.14 1.49 -1.00 0.00 0.00 179.01 180.11 3nqo h GLU 176 N 0.24 0.77 -0.49 2.33 4.81 -0.86 -2.40 114.58 118.98 3nqo h GLU 176 Ca 0.08 -0.17 0.10 0.00 -0.13 0.00 0.00 59.36 59.24 3nqo h GLU 176 Cb 0.14 -0.11 -0.09 0.00 0.63 0.00 0.00 28.75 29.32 3nqo h GLU 176 CO -0.01 0.73 -0.09 0.35 -0.73 0.00 0.00 179.01 179.26 3nqo h PHE 177 N 0.66 -0.20 -0.54 0.92 3.04 -0.85 0.44 116.94 120.42 3nqo h PHE 177 Ca 0.16 0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.15 3nqo h PHE 177 Cb 0.29 0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.94 3nqo h PHE 177 CO 0.02 -0.19 0.36 0.00 -2.02 0.00 0.00 178.31 176.48 3nqo h ALA 178 N 1.48 0.69 -0.35 2.41 0.00 -0.98 -0.94 119.26 121.56 3nqo h ALA 178 Ca 0.24 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3nqo h ALA 178 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3nqo h ALA 178 CO -0.48 0.13 -0.05 0.87 0.00 0.00 0.00 179.25 179.72 3nqo h LYS 179 N 0.74 0.65 -0.30 0.00 1.57 -0.91 -1.91 116.57 116.40 3nqo h LYS 179 Ca 0.20 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3nqo h LYS 179 Cb -0.09 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3nqo h LYS 179 CO -0.04 0.79 0.13 0.00 -0.57 0.00 0.00 179.45 179.76 3nqo h ARG 180 N 0.44 0.45 -0.67 3.15 3.08 -0.86 -2.65 114.38 117.32 3nqo h ARG 180 Ca 0.09 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3nqo h ARG 180 Cb 0.53 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 3nqo h ARG 180 CO 0.03 0.45 0.36 -0.09 -1.07 0.00 0.00 179.97 179.65 3nqo h ARG 181 N 0.34 0.94 -0.01 0.04 2.43 -1.16 -3.25 114.38 113.72 3nqo h ARG 181 Ca 0.10 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3nqo h ARG 181 Cb 0.17 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3nqo h ARG 181 CO -0.01 0.72 -0.25 0.09 -1.51 0.00 0.00 179.97 179.01 3nqo n ASN 182 N -4.51 1.32 -4.15 -3.80 3.02 -0.72 -4.70 115.26 101.72 3nqo n ASN 182 Ca 0.05 -1.12 -0.32 0.00 -0.03 0.00 0.00 54.58 53.16 3nqo n ASN 182 Cb 0.10 0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.40 3nqo n ASN 182 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3nqo n ARG 183 N -0.36 -2.91 -0.36 3.52 5.12 -1.00 -4.86 116.66 115.80 3nqo n ARG 183 Ca 0.13 0.35 -0.02 0.00 -1.93 0.00 0.00 57.85 56.38 3nqo n ARG 183 Cb 0.38 -4.73 0.12 0.00 -1.16 0.00 0.00 32.46 27.07 3nqo n ARG 183 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 3nqo h VAL 184 N -1.63 1.25 -1.95 1.55 -1.51 -1.87 -3.44 116.25 108.66 3nqo h VAL 184 Ca -0.61 -0.47 -0.64 0.00 -1.23 0.00 0.00 66.70 63.75 3nqo h VAL 184 Cb 1.38 -0.18 0.02 0.00 -2.13 0.00 0.00 31.29 30.39 3nqo h VAL 184 CO 0.72 0.25 1.00 -3.20 -1.23 0.00 0.00 177.57 175.11 3nqo n ASN 185 N -4.38 3.14 -4.56 4.19 5.15 -1.26 -4.90 115.26 112.64 3nqo n ASN 185 Ca 0.11 1.01 -0.34 0.00 -0.60 0.00 0.00 54.58 54.77 3nqo n ASN 185 Cb 0.02 -1.33 -0.04 0.00 -0.53 0.00 0.00 39.78 37.90 3nqo n ASN 185 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3nqo s LYS 186 N 3.46 2.71 0.29 1.20 -2.85 -1.26 -4.99 119.74 118.30 3nqo s LYS 186 Ca 0.92 0.03 -0.29 0.00 -1.00 0.00 0.00 55.97 55.63 3nqo s LYS 186 Cb -0.77 -4.74 -0.14 0.00 -2.06 0.00 0.00 37.83 30.12 3nqo s LYS 186 CO 0.52 -2.93 1.11 0.09 0.10 0.00 0.00 175.35 174.24 3nqo n ASN 187 N 12.76 1.75 0.00 0.03 4.13 -1.26 -5.30 115.26 127.36 3nqo n ASN 187 Ca 0.29 1.18 0.12 0.00 1.68 0.00 0.00 54.58 57.84 3nqo n ASN 187 Cb 0.50 -1.34 0.69 0.00 -1.54 0.00 0.00 39.78 38.08 3nqo n ASN 187 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64