#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iq6 s ASP 2 N 0.00 3.45 0.11 0.00 1.47 -1.26 -4.86 116.67 115.58 3iq6 s ASP 2 Ca 0.00 -0.05 -0.22 0.00 1.18 0.00 0.00 52.55 53.47 3iq6 s ASP 2 Cb 0.00 -0.07 -0.08 0.00 -0.34 0.00 0.00 42.92 42.43 3iq6 s ASP 2 CO 0.00 -2.49 1.72 0.25 0.68 0.00 0.00 175.17 175.33 3iq6 h LEU 3 N -1.27 -0.12 -0.63 2.11 6.46 -1.95 -2.02 115.31 117.89 3iq6 h LEU 3 Ca -0.41 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.45 3iq6 h LEU 3 Cb 1.24 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 41.19 3iq6 h LEU 3 CO 0.36 -0.05 0.33 -0.33 -0.62 0.00 0.00 178.44 178.14 3iq6 h GLU 4 N -0.02 0.60 0.01 1.25 5.08 -2.00 -1.26 114.58 118.24 3iq6 h GLU 4 Ca 0.05 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3iq6 h GLU 4 Cb 0.09 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3iq6 h GLU 4 CO -0.11 0.39 -0.04 -0.44 -1.00 0.00 0.00 179.01 177.81 3iq6 h ASP 5 N 0.61 -0.11 -0.98 1.42 3.32 -1.89 -2.08 116.42 116.71 3iq6 h ASP 5 Ca 0.28 0.02 0.19 0.00 0.02 0.00 0.00 57.03 57.54 3iq6 h ASP 5 Cb 0.20 0.05 -0.09 0.00 0.22 0.00 0.00 39.33 39.70 3iq6 h ASP 5 CO -0.19 -0.06 0.61 0.78 -1.72 0.00 0.00 179.24 178.66 3iq6 h ASN 6 N -0.08 0.68 -0.49 6.45 2.35 -0.71 0.05 115.58 123.84 3iq6 h ASN 6 Ca 0.01 0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 3iq6 h ASN 6 Cb 0.09 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3iq6 h ASN 6 CO -0.04 0.26 -0.16 0.24 -1.65 0.00 0.00 177.43 176.08 3iq6 h MET 7 N 0.68 0.99 -0.60 0.81 2.86 -0.64 -0.43 114.93 118.61 3iq6 h MET 7 Ca 0.54 -0.39 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 3iq6 h MET 7 Cb 0.95 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 3iq6 h MET 7 CO -0.31 1.07 0.07 1.49 1.06 0.00 0.00 176.91 180.29 3iq6 h GLU 8 N 0.87 1.00 -0.95 1.72 4.81 -0.40 0.69 114.58 122.31 3iq6 h GLU 8 Ca 0.12 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3iq6 h GLU 8 Cb 0.73 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 3iq6 h GLU 8 CO 0.06 0.96 0.59 1.15 -0.73 0.00 0.00 179.01 181.03 3iq6 h THR 9 N 0.90 1.26 -0.11 0.32 2.02 -0.97 0.85 112.91 117.18 3iq6 h THR 9 Ca 0.18 -0.54 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 3iq6 h THR 9 Cb 0.45 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3iq6 h THR 9 CO 0.02 0.26 -0.08 0.25 0.37 0.00 0.00 175.52 176.34 3iq6 h LEU 10 N 1.30 0.26 -0.15 2.58 5.85 -0.51 -2.41 115.31 122.24 3iq6 h LEU 10 Ca 0.34 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3iq6 h LEU 10 Cb -0.08 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3iq6 h LEU 10 CO -0.07 0.65 -0.00 -1.13 -0.34 0.00 0.00 178.44 177.55 3iq6 h ASN 11 N -0.13 0.26 -0.16 1.25 -1.24 0.77 -2.60 115.58 113.73 3iq6 h ASN 11 Ca 0.02 -0.32 0.03 0.00 0.71 0.00 0.00 56.30 56.75 3iq6 h ASN 11 Cb 0.56 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.51 3iq6 h ASN 11 CO 0.02 0.51 -0.04 0.44 -1.29 0.00 0.00 177.43 177.08 3iq6 h ASP 12 N 0.00 -0.14 0.83 1.15 3.32 0.68 -2.35 116.42 119.90 3iq6 h ASP 12 Ca 0.04 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3iq6 h ASP 12 Cb 0.38 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 3iq6 h ASP 12 CO 0.01 -0.05 -0.09 0.78 -1.72 0.00 0.00 179.24 178.17 3iq6 h ASN 13 N 0.01 0.00 -0.51 6.45 4.21 -1.47 -2.27 115.58 121.99 3iq6 h ASN 13 Ca 0.08 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.53 3iq6 h ASN 13 Cb 0.12 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.30 3iq6 h ASN 13 CO -0.17 0.09 0.07 0.25 -1.29 0.00 0.00 177.43 176.39 3iq6 h LEU 14 N 0.00 0.82 -0.67 1.61 5.85 -1.01 -1.41 115.31 120.50 3iq6 h LEU 14 Ca -0.00 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 3iq6 h LEU 14 Cb 0.53 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3iq6 h LEU 14 CO 0.01 0.88 0.26 0.11 -0.34 0.00 0.00 178.44 179.36 3iq6 h LYS 15 N 0.73 1.02 -0.99 1.25 1.57 -1.26 -1.93 116.57 116.96 3iq6 h LYS 15 Ca 0.15 -0.19 0.13 0.00 -1.87 0.00 0.00 60.65 58.88 3iq6 h LYS 15 Cb 0.42 -0.16 -0.09 0.00 0.08 0.00 0.00 32.23 32.48 3iq6 h LYS 15 CO 0.01 0.86 0.62 0.28 -0.57 0.00 0.00 179.45 180.65 3iq6 h VAL 16 N 0.96 0.87 -0.23 0.50 2.07 -0.87 -0.10 116.25 119.45 3iq6 h VAL 16 Ca 0.22 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 3iq6 h VAL 16 Cb 0.23 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 3iq6 h VAL 16 CO -0.02 0.17 -0.22 0.40 0.02 0.00 0.00 177.57 177.92 3iq6 h ILE 17 N 0.93 1.32 -0.77 4.57 2.04 -0.72 -0.73 117.51 124.16 3iq6 h ILE 17 Ca 0.51 -1.39 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 3iq6 h ILE 17 Cb 0.58 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 3iq6 h ILE 17 CO -0.29 0.43 0.26 -0.33 0.00 0.00 0.00 178.15 178.22 3iq6 h GLU 18 N 0.24 1.18 -0.64 2.37 5.08 -0.62 -2.69 114.58 119.51 3iq6 h GLU 18 Ca 0.04 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3iq6 h GLU 18 Cb 0.77 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3iq6 h GLU 18 CO 0.06 0.99 0.00 1.63 -1.00 0.00 0.00 179.01 180.68 3iq6 n LYS 19 N -4.26 3.48 -2.46 2.33 5.02 -0.12 -4.97 118.16 117.18 3iq6 n LYS 19 Ca 0.07 -2.49 -0.37 0.00 -2.02 0.00 0.00 58.31 53.50 3iq6 n LYS 19 Cb 0.22 -1.86 -0.03 0.00 -0.02 0.00 0.00 35.03 33.34 3iq6 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iq6 s ALA 20 N -1.90 3.07 -0.16 7.82 0.00 -0.28 -4.98 121.76 125.34 3iq6 s ALA 20 Ca 0.44 0.77 0.15 0.00 0.00 0.00 0.00 51.96 53.32 3iq6 s ALA 20 Cb 0.29 -3.31 -0.20 0.00 0.00 0.00 0.00 23.12 19.90 3iq6 s ALA 20 CO 0.20 -0.34 0.07 -0.25 0.00 0.00 0.00 175.76 175.44 3iq6 n ASP 21 N -0.14 0.99 -4.24 0.00 8.00 -1.26 -5.03 116.55 114.87 3iq6 n ASP 21 Ca 0.05 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.42 3iq6 n ASP 21 Cb 0.49 0.93 -0.10 0.00 -0.02 0.00 0.00 41.12 42.42 3iq6 n ASP 21 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3iq6 s ASN 22 N -4.96 1.71 0.51 -2.24 2.20 -1.26 -5.05 114.94 105.84 3iq6 s ASN 22 Ca -0.08 -1.01 0.18 0.00 -0.94 0.00 0.00 52.86 51.01 3iq6 s ASN 22 Cb 0.05 0.00 1.25 0.00 -2.00 0.00 0.00 41.25 40.56 3iq6 s ASN 22 CO 0.67 -0.35 2.08 0.00 -2.94 0.00 0.00 177.10 176.56 3iq6 h ALA 23 N 2.81 2.14 -0.15 3.54 0.00 -1.92 -2.46 119.26 123.21 3iq6 h ALA 23 Ca -0.36 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 3iq6 h ALA 23 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3iq6 h ALA 23 CO 0.64 -0.20 -0.35 0.00 0.00 0.00 0.00 179.25 179.34 3iq6 h ALA 24 N 1.87 1.13 -0.33 0.00 0.00 -1.97 0.20 119.26 120.16 3iq6 h ALA 24 Ca 0.12 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 3iq6 h ALA 24 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3iq6 h ALA 24 CO -0.01 0.56 -0.40 1.96 0.00 0.00 0.00 179.25 181.36 3iq6 h GLN 25 N 0.26 0.80 -0.28 0.00 4.20 -1.86 -1.93 115.11 116.29 3iq6 h GLN 25 Ca 0.03 -0.42 -0.07 0.00 0.06 0.00 0.00 58.65 58.25 3iq6 h GLN 25 Cb 0.75 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 3iq6 h GLN 25 CO 0.06 1.05 -0.08 0.28 -0.67 0.00 0.00 178.83 179.47 3iq6 h VAL 26 N 0.65 1.28 0.07 -0.54 2.07 -1.36 -1.40 116.25 117.03 3iq6 h VAL 26 Ca 0.05 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.47 3iq6 h VAL 26 Cb 0.97 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 3iq6 h VAL 26 CO 0.09 0.36 -0.24 0.11 0.02 0.00 0.00 177.57 177.91 3iq6 h LYS 27 N 0.31 -0.40 -0.75 1.57 1.57 -0.50 -1.14 116.57 117.23 3iq6 h LYS 27 Ca 0.07 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3iq6 h LYS 27 Cb 0.57 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 3iq6 h LYS 27 CO 0.03 -0.27 0.41 0.22 -0.57 0.00 0.00 179.45 179.27 3iq6 h ASP 28 N -0.42 0.94 -0.58 0.86 -0.00 -1.33 -1.74 116.42 114.15 3iq6 h ASP 28 Ca 0.04 -0.10 -0.08 0.00 -0.00 0.00 0.00 57.03 56.90 3iq6 h ASP 28 Cb 0.46 -0.24 -0.02 0.00 -0.00 0.00 0.00 39.33 39.53 3iq6 h ASP 28 CO -0.17 0.77 0.06 0.00 -0.00 0.00 0.00 179.24 179.89 3iq6 h ALA 29 N 1.21 0.77 0.07 -0.78 0.00 -1.03 -2.19 119.26 117.31 3iq6 h ALA 29 Ca 0.26 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iq6 h ALA 29 Cb 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3iq6 h ALA 29 CO -0.04 0.55 -0.03 -0.07 0.00 0.00 0.00 179.25 179.66 3iq6 h LEU 30 N 0.87 -0.08 -0.71 0.00 3.38 -0.99 -1.87 115.31 115.91 3iq6 h LEU 30 Ca 0.17 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.24 3iq6 h LEU 30 Cb 0.47 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 3iq6 h LEU 30 CO 0.02 -0.03 0.30 0.74 0.09 0.00 0.00 178.44 179.56 3iq6 h THR 31 N -0.11 0.75 0.00 0.22 2.02 -1.22 0.34 112.91 114.90 3iq6 h THR 31 Ca -0.01 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 3iq6 h THR 31 Cb 0.09 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 3iq6 h THR 31 CO 0.02 0.09 -0.12 0.11 0.37 0.00 0.00 175.52 175.98 3iq6 h LYS 32 N 0.49 0.00 0.01 6.66 1.57 -1.19 -1.65 116.57 122.46 3iq6 h LYS 32 Ca 0.37 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.88 3iq6 h LYS 32 Cb 0.48 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.82 3iq6 h LYS 32 CO -0.34 0.12 -1.07 0.52 -0.57 0.00 0.00 179.45 178.12 3iq6 h MET 33 N 0.00 0.69 0.11 3.15 2.86 0.45 -2.32 114.93 119.87 3iq6 h MET 33 Ca -0.00 -0.76 -0.01 0.00 -2.06 0.00 0.00 59.70 56.87 3iq6 h MET 33 Cb 0.50 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.38 3iq6 h MET 33 CO 0.02 1.33 -0.05 0.00 1.06 0.00 0.00 176.91 179.27 3iq6 h ALA 34 N 0.40 -0.14 -0.51 6.32 0.00 -0.86 -0.16 119.26 124.30 3iq6 h ALA 34 Ca -0.14 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.75 3iq6 h ALA 34 Cb 1.72 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 19.46 3iq6 h ALA 34 CO 0.21 -0.47 -0.24 0.00 0.00 0.00 0.00 179.25 178.75 3iq6 h ALA 35 N 0.51 0.12 -0.51 0.00 0.00 -1.35 0.29 119.26 118.32 3iq6 h ALA 35 Ca -0.01 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3iq6 h ALA 35 Cb 0.29 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3iq6 h ALA 35 CO 0.02 -0.57 0.04 0.00 0.00 0.00 0.00 179.25 178.74 3iq6 h ALA 36 N 1.20 1.10 -0.75 0.00 0.00 -1.29 -1.53 119.26 117.99 3iq6 h ALA 36 Ca 0.24 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3iq6 h ALA 36 Cb 0.49 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3iq6 h ALA 36 CO -0.59 0.58 0.25 0.00 0.00 0.00 0.00 179.25 179.48 3iq6 h ALA 37 N 1.25 0.98 -0.53 0.00 0.00 0.91 -1.31 119.26 120.56 3iq6 h ALA 37 Ca 0.16 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3iq6 h ALA 37 Cb 0.42 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3iq6 h ALA 37 CO 0.01 0.66 -0.05 0.00 0.00 0.00 0.00 179.25 179.87 3iq6 h ALA 38 N 1.13 0.90 -0.07 0.00 0.00 -0.16 -2.67 119.26 118.39 3iq6 h ALA 38 Ca 0.24 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3iq6 h ALA 38 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3iq6 h ALA 38 CO -0.01 0.64 -0.31 0.22 0.00 0.00 0.00 179.25 179.79 3iq6 h ASP 39 N 0.87 0.13 1.30 0.00 3.58 -0.90 -2.43 116.42 118.97 3iq6 h ASP 39 Ca 0.15 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.56 3iq6 h ASP 39 Cb 0.58 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.60 3iq6 h ASP 39 CO 0.04 0.44 0.00 0.00 -2.88 0.00 0.00 179.24 176.83 3iq6 h ALA 40 N 1.57 1.00 -0.24 -0.78 0.00 -0.91 -3.38 119.26 116.53 3iq6 h ALA 40 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3iq6 h ALA 40 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3iq6 h ALA 40 CO 0.04 0.00 -0.14 1.87 0.00 0.00 0.00 179.25 181.02 3iq6 n TRP 41 N -2.96 -0.10 0.99 0.00 -0.00 -0.91 -0.62 117.44 113.83 3iq6 n TRP 41 Ca 0.02 0.30 0.09 0.00 -0.00 0.00 0.00 57.50 57.91 3iq6 n TRP 41 Cb 0.37 -0.42 0.51 0.00 -0.00 0.00 0.00 31.31 31.76 3iq6 n TRP 41 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 3iq6 n SER 42 N -3.44 0.00 -4.81 5.87 3.41 -1.26 -4.85 113.62 108.55 3iq6 n SER 42 Ca 0.00 -0.17 -0.33 0.00 -0.26 0.00 0.00 58.87 58.12 3iq6 n SER 42 Cb 0.06 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 3iq6 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iq6 s ALA 43 N -2.40 2.78 -0.16 7.33 0.00 0.21 -5.05 121.76 124.47 3iq6 s ALA 43 Ca 0.21 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.57 3iq6 s ALA 43 Cb 0.13 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 20.04 3iq6 s ALA 43 CO 0.27 -0.73 -0.20 0.95 0.00 0.00 0.00 175.76 176.05 3iq6 s THR 44 N -2.44 1.98 0.48 0.00 -4.23 -1.26 -4.97 115.64 105.19 3iq6 s THR 44 Ca 0.63 -0.91 -0.21 0.00 -1.18 0.00 0.00 61.69 60.02 3iq6 s THR 44 Cb -0.15 -1.78 -0.08 0.00 1.34 0.00 0.00 72.50 71.83 3iq6 s THR 44 CO 0.36 0.53 1.08 -2.16 -0.54 0.00 0.00 174.62 173.88 3iq6 s PRO 45 N 1.12 3.77 0.27 3.99 0.04 -1.26 -4.92 135.00 138.01 3iq6 s PRO 45 Ca -0.00 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 3iq6 s PRO 45 Cb -0.14 -2.21 0.60 0.00 0.04 0.00 0.00 34.50 32.79 3iq6 s PRO 45 CO -0.08 -0.48 1.62 -1.00 0.04 0.00 0.00 177.00 177.10 3iq6 h PRO 46 N 1.74 0.12 0.00 0.56 0.13 -2.00 -1.16 132.00 131.38 3iq6 h PRO 46 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3iq6 h PRO 46 Cb 1.23 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3iq6 h PRO 46 CO 0.59 0.08 0.00 1.63 -0.23 0.00 0.00 178.00 180.07 3iq6 n LYS 47 N -5.34 0.41 0.00 0.86 5.02 -1.26 -2.32 118.16 115.53 3iq6 n LYS 47 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3iq6 n LYS 47 Cb 0.61 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 3iq6 n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3iq6 n LEU 48 N -0.71 0.91 0.29 -0.35 4.77 -0.44 -4.75 117.00 116.71 3iq6 n LEU 48 Ca 0.04 -0.91 0.17 0.00 -0.03 0.00 0.00 56.01 55.28 3iq6 n LEU 48 Cb 0.02 0.00 0.85 0.00 -2.33 0.00 0.00 43.42 41.96 3iq6 n LEU 48 CO 0.03 0.23 1.04 -0.33 -1.33 0.00 0.00 177.39 177.03 3iq6 h GLU 49 N 0.00 0.00 0.00 3.23 5.08 -1.45 -1.28 114.58 120.16 3iq6 h GLU 49 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iq6 h GLU 49 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3iq6 h GLU 49 CO 0.00 0.05 -0.17 -0.40 -1.00 0.00 0.00 179.01 177.49 3iq6 n ASP 50 N -3.32 0.27 -4.94 1.42 5.75 -1.26 -4.86 116.55 109.61 3iq6 n ASP 50 Ca -0.01 0.29 -0.24 0.00 -0.01 0.00 0.00 54.79 54.82 3iq6 n ASP 50 Cb 0.22 -0.30 -0.01 0.00 -1.03 0.00 0.00 41.12 40.00 3iq6 n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3iq6 s LYS 51 N -3.02 3.42 0.35 0.11 -0.14 -0.48 -5.08 119.74 114.90 3iq6 s LYS 51 Ca 0.12 -0.32 -0.27 0.00 -1.36 0.00 0.00 55.97 54.15 3iq6 s LYS 51 Cb 0.17 -2.62 -0.09 0.00 -1.68 0.00 0.00 37.83 33.61 3iq6 s LYS 51 CO 0.59 0.05 1.14 0.45 -0.76 0.00 0.00 175.35 176.83 3iq6 s SER 52 N -4.07 6.84 0.61 2.83 0.15 -1.26 -4.91 113.70 113.89 3iq6 s SER 52 Ca 0.42 2.31 0.31 0.00 0.70 0.00 0.00 55.95 59.70 3iq6 s SER 52 Cb -0.10 -2.62 1.80 0.00 -1.71 0.00 0.00 66.02 63.39 3iq6 s SER 52 CO 0.37 -0.45 2.15 -0.65 1.20 0.00 0.00 173.24 175.86 3iq6 h PRO 53 N 3.10 0.00 -0.46 5.44 0.11 -1.96 -0.02 132.00 138.21 3iq6 h PRO 53 Ca -0.48 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.41 3iq6 h PRO 53 Cb 1.22 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 3iq6 h PRO 53 CO 0.64 0.00 0.05 -0.25 -0.21 0.00 0.00 178.00 178.24 3iq6 n ASP 54 N -3.61 2.87 -4.86 -2.05 8.00 -1.26 -4.65 116.55 110.99 3iq6 n ASP 54 Ca -0.00 -3.67 -0.31 0.00 0.71 0.00 0.00 54.79 51.52 3iq6 n ASP 54 Cb 0.26 -0.66 -0.00 0.00 -0.02 0.00 0.00 41.12 40.69 3iq6 n ASP 54 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3iq6 s SER 55 N -2.24 6.32 0.54 -2.24 1.04 -0.02 -4.90 113.70 112.19 3iq6 s SER 55 Ca 0.47 1.47 0.21 0.00 0.48 0.00 0.00 55.95 58.58 3iq6 s SER 55 Cb 0.41 -2.48 1.42 0.00 0.10 0.00 0.00 66.02 65.47 3iq6 s SER 55 CO 0.03 -0.81 2.13 1.55 0.98 0.00 0.00 173.24 177.12 3iq6 h PRO 56 N 0.01 0.00 -0.31 4.02 0.13 -1.94 -2.03 132.00 131.88 3iq6 h PRO 56 Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 3iq6 h PRO 56 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3iq6 h PRO 56 CO 0.62 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 179.20 3iq6 h GLU 57 N 0.00 0.63 -0.16 0.86 3.07 -1.92 -0.72 114.58 116.34 3iq6 h GLU 57 Ca 0.06 -0.26 -0.11 0.00 -0.50 0.00 0.00 59.36 58.55 3iq6 h GLU 57 Cb 0.26 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3iq6 h GLU 57 CO -0.00 0.84 -0.40 0.52 -1.40 0.00 0.00 179.01 178.57 3iq6 h MET 58 N 0.39 0.36 -0.23 2.33 2.86 -1.72 0.10 114.93 119.02 3iq6 h MET 58 Ca 0.07 -0.17 -0.11 0.00 -2.06 0.00 0.00 59.70 57.44 3iq6 h MET 58 Cb 0.63 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 3iq6 h MET 58 CO 0.04 0.70 -0.31 0.45 1.06 0.00 0.00 176.91 178.85 3iq6 h HIS 59 N 0.30 0.54 -0.21 -0.22 3.86 -1.24 -1.66 115.15 116.52 3iq6 h HIS 59 Ca 0.03 -0.13 -0.19 0.00 -1.16 0.00 0.00 60.37 58.92 3iq6 h HIS 59 Cb 0.83 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.18 3iq6 h HIS 59 CO 0.02 0.73 -0.61 0.22 0.86 0.00 0.00 177.93 179.16 3iq6 h ASP 60 N 0.41 0.90 -0.25 2.45 3.58 -0.60 -1.02 116.42 121.90 3iq6 h ASP 60 Ca 0.05 -0.58 0.02 0.00 0.42 0.00 0.00 57.03 56.94 3iq6 h ASP 60 Cb 0.75 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 3iq6 h ASP 60 CO 0.06 1.32 0.11 0.15 -2.88 0.00 0.00 179.24 178.00 3iq6 h PHE 61 N 0.52 0.21 -0.34 0.28 3.57 -0.63 -0.24 116.94 120.31 3iq6 h PHE 61 Ca -0.02 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3iq6 h PHE 61 Cb 1.23 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 3iq6 h PHE 61 CO 0.08 0.11 0.06 0.00 -2.23 0.00 0.00 178.31 176.33 3iq6 h ARG 62 N 0.24 0.57 -0.82 1.11 3.08 -1.31 -2.61 114.38 114.63 3iq6 h ARG 62 Ca 0.10 -0.15 0.11 0.00 0.07 0.00 0.00 59.98 60.11 3iq6 h ARG 62 Cb 0.04 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 29.97 3iq6 h ARG 62 CO -0.08 0.64 0.54 1.25 -1.07 0.00 0.00 179.97 181.25 3iq6 h HIS 63 N 0.40 0.80 -0.09 3.04 2.76 -0.89 0.12 115.15 121.29 3iq6 h HIS 63 Ca 0.10 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 3iq6 h HIS 63 Cb 0.35 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 3iq6 h HIS 63 CO 0.02 0.36 0.09 0.78 -1.30 0.00 0.00 177.93 177.88 3iq6 h GLY 64 N 0.73 0.00 1.65 5.26 0.00 -0.64 -1.01 103.07 109.06 3iq6 h GLY 64 Ca 0.39 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.48 3iq6 h GLY 64 CO -0.16 0.00 -1.25 0.74 0.00 0.00 0.00 176.54 175.88 3iq6 h PHE 65 N 0.00 0.00 -0.62 5.60 -1.00 -1.00 -2.86 116.94 117.06 3iq6 h PHE 65 Ca 0.05 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.79 3iq6 h PHE 65 Cb 0.23 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.77 3iq6 h PHE 65 CO 0.00 1.00 0.27 -1.49 -1.61 0.00 0.00 178.31 176.48 3iq6 h TRP 66 N 0.00 0.93 -0.36 -0.55 6.55 -1.03 -0.60 115.95 120.89 3iq6 h TRP 66 Ca -0.11 -0.06 -0.03 0.00 0.95 0.00 0.00 58.89 59.64 3iq6 h TRP 66 Cb 1.86 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 29.86 3iq6 h TRP 66 CO 0.00 0.73 0.09 0.82 -1.05 0.00 0.00 178.44 179.03 3iq6 h ILE 67 N 0.87 1.22 -0.72 1.49 1.08 -1.49 -1.62 117.51 118.34 3iq6 h ILE 67 Ca 0.21 -0.75 -0.04 0.00 -0.39 0.00 0.00 64.86 63.89 3iq6 h ILE 67 Cb 0.18 1.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 3iq6 h ILE 67 CO -0.02 0.26 0.30 0.25 -0.69 0.00 0.00 178.15 178.25 3iq6 h LEU 68 N 0.43 0.98 -1.30 1.44 5.85 -1.34 -1.75 115.31 119.62 3iq6 h LEU 68 Ca 0.11 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 3iq6 h LEU 68 Cb 0.30 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3iq6 h LEU 68 CO 0.00 0.87 -0.34 0.40 -0.34 0.00 0.00 178.44 179.04 3iq6 h ILE 69 N 1.02 1.10 0.01 4.05 2.04 -0.97 -1.41 117.51 123.34 3iq6 h ILE 69 Ca 0.24 -1.22 -0.20 0.00 1.00 0.00 0.00 64.86 64.69 3iq6 h ILE 69 Cb 0.19 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3iq6 h ILE 69 CO -0.02 0.33 -0.89 1.23 0.00 0.00 0.00 178.15 178.80 3iq6 h GLY 70 N 1.24 0.22 2.00 5.37 0.00 -0.77 -1.91 103.07 109.23 3iq6 h GLY 70 Ca -0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 3iq6 h GLY 70 CO 0.04 0.35 -0.29 1.46 0.00 0.00 0.00 176.54 178.10 3iq6 h GLN 71 N 0.11 0.00 0.20 4.80 4.20 -0.79 -2.63 115.11 120.99 3iq6 h GLN 71 Ca -0.05 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.35 3iq6 h GLN 71 Cb 1.52 0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.32 3iq6 h GLN 71 CO 0.14 0.29 -1.43 0.82 -0.67 0.00 0.00 178.83 177.98 3iq6 h ILE 72 N 0.00 1.31 -0.64 2.54 2.04 -1.23 -1.75 117.51 119.78 3iq6 h ILE 72 Ca -0.00 -2.82 0.11 0.00 1.00 0.00 0.00 64.86 63.15 3iq6 h ILE 72 Cb 1.04 2.96 -0.08 0.00 -0.74 0.00 0.00 36.82 40.00 3iq6 h ILE 72 CO 0.04 0.84 0.20 -0.74 0.00 0.00 0.00 178.15 178.50 3iq6 h HIS 73 N 0.11 0.34 -0.04 1.37 2.76 -1.18 -0.07 115.15 118.44 3iq6 h HIS 73 Ca -0.22 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 57.82 3iq6 h HIS 73 Cb 2.09 -0.05 0.01 0.00 1.55 0.00 0.00 27.41 31.00 3iq6 h HIS 73 CO 0.10 0.03 -0.60 0.22 -1.30 0.00 0.00 177.93 176.38 3iq6 h ASP 74 N 0.35 0.60 -0.70 3.26 3.58 -1.47 -2.84 116.42 119.20 3iq6 h ASP 74 Ca 0.34 -0.71 0.10 0.00 0.42 0.00 0.00 57.03 57.18 3iq6 h ASP 74 Cb 0.48 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 3iq6 h ASP 74 CO -0.37 1.22 0.47 0.00 -2.88 0.00 0.00 179.24 177.67 3iq6 h ALA 75 N 0.38 1.89 -0.32 -0.78 0.00 -0.90 -2.00 119.26 117.54 3iq6 h ALA 75 Ca -0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3iq6 h ALA 75 Cb 1.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3iq6 h ALA 75 CO 0.12 -0.05 -0.30 1.25 0.00 0.00 0.00 179.25 180.28 3iq6 h LEU 76 N 0.57 0.82 -0.42 0.00 5.85 -0.96 -0.90 115.31 120.27 3iq6 h LEU 76 Ca 0.33 -0.46 0.06 0.00 0.84 0.00 0.00 57.88 58.64 3iq6 h LEU 76 Cb 0.51 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 3iq6 h LEU 76 CO -0.11 1.11 0.12 0.45 -0.34 0.00 0.00 178.44 179.68 3iq6 h HIS 77 N 0.54 0.22 0.47 1.25 3.86 -1.12 0.36 115.15 120.73 3iq6 h HIS 77 Ca 0.05 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 3iq6 h HIS 77 Cb 0.87 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.31 3iq6 h HIS 77 CO 0.07 0.07 -0.23 -0.07 0.86 0.00 0.00 177.93 178.63 3iq6 h LEU 78 N 0.28 -0.53 -2.14 2.43 3.38 -1.40 -0.50 115.31 116.82 3iq6 h LEU 78 Ca 0.20 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.21 3iq6 h LEU 78 Cb 0.21 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3iq6 h LEU 78 CO -0.22 -0.38 0.30 0.00 0.09 0.00 0.00 178.44 178.22 3iq6 h ALA 79 N -0.09 1.48 0.00 1.53 0.00 -0.47 0.64 119.26 122.34 3iq6 h ALA 79 Ca -0.06 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3iq6 h ALA 79 Cb 0.48 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3iq6 h ALA 79 CO 0.10 -0.34 -1.03 -0.91 0.00 0.00 0.00 179.25 177.07 3iq6 h ASN 80 N 0.00 0.00 -0.09 0.00 -0.26 0.78 -3.22 115.58 112.79 3iq6 h ASN 80 Ca 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 3iq6 h ASN 80 Cb 0.64 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 3iq6 h ASN 80 CO -0.00 0.65 0.00 -0.62 -1.06 0.00 0.00 177.43 176.40 3iq6 n GLU 81 N -3.10 1.25 -0.71 0.81 1.02 0.22 -4.86 120.64 115.27 3iq6 n GLU 81 Ca -0.04 -0.38 0.00 0.00 -0.02 0.00 0.00 57.16 56.72 3iq6 n GLU 81 Cb 0.83 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 3iq6 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iq6 n GLY 82 N 0.75 1.43 3.42 0.62 0.00 -1.07 -4.92 105.19 105.43 3iq6 n GLY 82 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3iq6 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iq6 n LYS 83 N -2.00 2.79 -0.02 1.61 5.02 -1.09 -4.78 118.16 119.69 3iq6 n LYS 83 Ca 0.00 -2.97 -0.12 0.00 -2.02 0.00 0.00 58.31 53.21 3iq6 n LYS 83 Cb 0.00 -3.48 -0.06 0.00 -0.02 0.00 0.00 35.03 31.47 3iq6 n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3iq6 h VAL 84 N 5.36 1.19 -0.14 -0.18 2.07 -1.89 -1.40 116.25 121.25 3iq6 h VAL 84 Ca 0.43 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3iq6 h VAL 84 Cb 0.83 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 3iq6 h VAL 84 CO 1.51 0.16 0.09 0.50 0.02 0.00 0.00 177.57 179.86 3iq6 h LYS 85 N -0.04 0.18 -0.14 1.57 3.64 -1.99 -0.46 116.57 119.33 3iq6 h LYS 85 Ca 0.03 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3iq6 h LYS 85 Cb 0.23 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3iq6 h LYS 85 CO -0.00 0.12 -0.07 0.93 -2.27 0.00 0.00 179.45 178.16 3iq6 h GLU 86 N 0.19 -0.05 -0.58 1.90 3.07 -1.95 -0.93 114.58 116.22 3iq6 h GLU 86 Ca 0.05 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.01 3iq6 h GLU 86 Cb -0.02 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 27.83 3iq6 h GLU 86 CO -0.02 -0.04 0.20 0.00 -1.40 0.00 0.00 179.01 177.76 3iq6 h ALA 87 N 1.07 0.73 -0.10 3.43 0.00 -0.97 0.24 119.26 123.67 3iq6 h ALA 87 Ca 0.08 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3iq6 h ALA 87 Cb 0.17 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3iq6 h ALA 87 CO -0.18 -0.22 -0.09 1.96 0.00 0.00 0.00 179.25 180.72 3iq6 h GLN 88 N 0.37 0.14 -0.03 0.00 4.20 -0.50 -0.22 115.11 119.07 3iq6 h GLN 88 Ca 0.29 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 3iq6 h GLN 88 Cb 0.36 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3iq6 h GLN 88 CO -0.31 0.25 -0.07 0.00 -0.67 0.00 0.00 178.83 178.03 3iq6 h ALA 89 N 1.77 0.05 -0.23 3.87 0.00 0.51 -1.49 119.26 123.75 3iq6 h ALA 89 Ca 0.03 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.64 3iq6 h ALA 89 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3iq6 h ALA 89 CO 0.01 -0.10 0.15 0.00 0.00 0.00 0.00 179.25 179.32 3iq6 h ALA 90 N 0.45 1.93 -0.14 0.00 0.00 -0.25 -2.07 119.26 119.17 3iq6 h ALA 90 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3iq6 h ALA 90 Cb 0.66 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3iq6 h ALA 90 CO 0.02 0.05 -0.28 0.00 0.00 0.00 0.00 179.25 179.03 3iq6 h ALA 91 N 1.87 0.23 0.00 0.00 0.00 -0.90 -2.71 119.26 117.75 3iq6 h ALA 91 Ca 0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3iq6 h ALA 91 Cb 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3iq6 h ALA 91 CO -0.02 0.24 -0.05 0.93 0.00 0.00 0.00 179.25 180.35 3iq6 h GLU 92 N 0.06 0.00 -0.55 0.00 4.39 -0.81 -2.18 114.58 115.48 3iq6 h GLU 92 Ca 0.01 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 3iq6 h GLU 92 Cb 0.88 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 3iq6 h GLU 92 CO 0.06 0.05 -0.06 0.37 -1.16 0.00 0.00 179.01 178.27 3iq6 h GLN 93 N 0.00 0.99 0.00 2.33 4.15 -1.16 -2.14 115.11 119.28 3iq6 h GLN 93 Ca -0.00 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 59.09 3iq6 h GLN 93 Cb 0.09 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.70 3iq6 h GLN 93 CO 0.01 1.01 0.00 1.47 -1.93 0.00 0.00 178.83 179.38 3iq6 n LEU 94 N -4.16 0.00 0.04 -2.39 -0.00 -0.82 0.39 117.00 110.05 3iq6 n LEU 94 Ca 0.02 0.47 -0.00 0.00 -0.00 0.00 0.00 56.01 56.50 3iq6 n LEU 94 Cb 0.37 -0.47 0.29 0.00 -0.00 0.00 0.00 43.42 43.61 3iq6 n LEU 94 CO 0.44 -0.44 0.86 0.11 -0.00 0.00 0.00 177.39 178.36 3iq6 h LYS 95 N 0.00 0.43 -0.89 1.47 1.57 -1.47 0.87 116.57 118.55 3iq6 h LYS 95 Ca 0.00 -0.12 0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3iq6 h LYS 95 Cb 0.03 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.22 3iq6 h LYS 95 CO 0.00 0.55 0.58 0.00 -0.57 0.00 0.00 179.45 180.01 3iq6 h THR 97 N 0.84 1.47 -0.02 0.00 2.02 -1.00 -2.52 112.91 113.70 3iq6 h THR 97 Ca 0.43 -2.58 -0.00 0.00 0.77 0.00 0.00 66.41 65.02 3iq6 h THR 97 Cb 0.49 2.46 -0.00 0.00 -1.74 0.00 0.00 68.15 69.36 3iq6 h THR 97 CO -0.19 0.76 0.00 0.00 0.37 0.00 0.00 175.52 176.46 3iq6 h ASN 99 N -0.19 0.63 -0.39 0.00 -0.26 -1.37 -2.15 115.58 111.85 3iq6 h ASN 99 Ca 0.01 -0.16 0.04 0.00 -0.56 0.00 0.00 56.30 55.63 3iq6 h ASN 99 Cb 0.22 -0.16 -0.06 0.00 -1.06 0.00 0.00 38.32 37.26 3iq6 h ASN 99 CO -0.00 0.61 -0.39 0.00 -1.06 0.00 0.00 177.43 176.60 3iq6 h ALA 100 N 1.04 -0.56 -0.70 -0.83 0.00 -1.40 0.20 119.26 117.02 3iq6 h ALA 100 Ca 0.16 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3iq6 h ALA 100 Cb 0.17 1.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 3iq6 h ALA 100 CO -0.02 -0.77 0.40 0.00 0.00 0.00 0.00 179.25 178.87 3iq6 h HIS 102 N 0.74 0.13 0.00 0.00 -0.00 -0.46 0.06 115.15 115.63 3iq6 h HIS 102 Ca 0.31 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.68 3iq6 h HIS 102 Cb 0.17 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.53 3iq6 h HIS 102 CO -0.07 0.08 0.16 1.04 -0.00 0.00 0.00 177.93 179.15 3iq6 n GLN 103 N -5.02 0.09 -0.07 2.45 6.02 0.57 -1.67 117.38 119.75 3iq6 n GLN 103 Ca -0.04 0.56 -0.10 0.00 -0.01 0.00 0.00 57.00 57.42 3iq6 n GLN 103 Cb 0.04 -1.97 -0.07 0.00 1.02 0.00 0.00 30.24 29.26 3iq6 n GLN 103 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3iq6 n LYS 104 N -2.02 0.51 0.00 -1.09 5.02 -0.48 -4.89 118.16 115.21 3iq6 n LYS 104 Ca -0.01 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3iq6 n LYS 104 Cb 0.19 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3iq6 n LYS 104 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3iq6 n TYR 105 N -2.88 0.00 1.64 2.13 0.53 -0.11 -5.10 117.16 113.37 3iq6 n TYR 105 Ca -0.25 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 56.76 3iq6 n TYR 105 Cb 0.78 0.00 0.78 0.00 -1.03 0.00 0.00 39.34 39.87 3iq6 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71