#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iq6 n ASP 2 N 0.00 0.00 -0.24 0.00 -0.08 -1.26 -4.79 116.55 110.18 3iq6 n ASP 2 Ca 0.00 0.82 -0.08 0.00 -1.51 0.00 0.00 54.79 54.02 3iq6 n ASP 2 Cb 0.00 -1.28 0.04 0.00 2.34 0.00 0.00 41.12 42.22 3iq6 n ASP 2 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3iq6 h LEU 3 N 0.57 1.01 -0.37 -2.67 6.46 -1.97 -0.74 115.31 117.60 3iq6 h LEU 3 Ca -0.46 -0.24 0.02 0.00 -0.12 0.00 0.00 57.88 57.09 3iq6 h LEU 3 Cb 1.38 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 41.01 3iq6 h LEU 3 CO 0.50 0.98 0.19 -0.33 -0.62 0.00 0.00 178.44 179.17 3iq6 h GLU 4 N 0.99 0.38 -0.59 1.25 5.08 -1.99 0.25 114.58 119.96 3iq6 h GLU 4 Ca 0.21 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3iq6 h GLU 4 Cb 0.37 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3iq6 h GLU 4 CO 0.00 0.25 0.23 -0.44 -1.00 0.00 0.00 179.01 178.05 3iq6 h ASP 5 N 0.40 0.78 0.04 1.42 3.32 -1.83 -0.16 116.42 120.39 3iq6 h ASP 5 Ca 0.15 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 56.98 3iq6 h ASP 5 Cb 0.05 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3iq6 h ASP 5 CO -0.10 0.71 -0.40 0.78 -1.72 0.00 0.00 179.24 178.51 3iq6 h ASN 6 N 0.84 0.49 -0.09 6.45 2.35 -0.13 -2.18 115.58 123.32 3iq6 h ASN 6 Ca 0.20 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3iq6 h ASN 6 Cb 0.18 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 3iq6 h ASN 6 CO -0.02 0.84 -0.04 0.24 -1.65 0.00 0.00 177.43 176.80 3iq6 h MET 7 N 0.38 0.18 -0.93 0.81 2.86 0.12 -2.04 114.93 116.32 3iq6 h MET 7 Ca 0.03 -0.08 0.14 0.00 -2.06 0.00 0.00 59.70 57.74 3iq6 h MET 7 Cb 0.87 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.45 3iq6 h MET 7 CO 0.07 0.55 0.60 1.49 1.06 0.00 0.00 176.91 180.68 3iq6 h GLU 8 N -0.19 0.75 -0.34 1.72 4.57 -0.97 0.26 114.58 120.39 3iq6 h GLU 8 Ca 0.02 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 3iq6 h GLU 8 Cb 0.49 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3iq6 h GLU 8 CO 0.01 0.50 -0.06 1.15 -1.18 0.00 0.00 179.01 179.43 3iq6 h THR 9 N 0.78 1.27 -0.25 0.32 2.02 -1.22 0.29 112.91 116.12 3iq6 h THR 9 Ca 0.47 -1.09 0.03 0.00 0.77 0.00 0.00 66.41 66.59 3iq6 h THR 9 Cb 0.69 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 3iq6 h THR 9 CO -0.24 0.36 0.09 -0.07 0.37 0.00 0.00 175.52 176.03 3iq6 h LEU 10 N 0.42 0.10 -0.08 2.58 -0.00 -0.36 -2.03 115.31 115.94 3iq6 h LEU 10 Ca 0.09 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.99 3iq6 h LEU 10 Cb 0.54 0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.21 3iq6 h LEU 10 CO 0.03 0.09 0.03 -1.13 -0.00 0.00 0.00 178.44 177.46 3iq6 h ASN 11 N 0.21 0.11 0.37 -0.43 -1.24 -0.30 -0.34 115.58 113.96 3iq6 h ASN 11 Ca 0.11 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 56.95 3iq6 h ASN 11 Cb 0.08 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 3iq6 h ASN 11 CO -0.11 0.24 -0.36 0.44 -1.29 0.00 0.00 177.43 176.35 3iq6 h ASP 12 N -0.03 -0.98 -0.10 1.15 3.32 -0.30 -2.39 116.42 117.10 3iq6 h ASP 12 Ca 0.03 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.18 3iq6 h ASP 12 Cb 0.16 0.32 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 3iq6 h ASP 12 CO -0.00 -0.48 0.11 0.78 -1.72 0.00 0.00 179.24 177.93 3iq6 h ASN 13 N -0.73 0.00 0.51 6.45 4.21 -1.40 -1.37 115.58 123.26 3iq6 h ASN 13 Ca -0.05 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.44 3iq6 h ASN 13 Cb 0.63 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.83 3iq6 h ASN 13 CO -0.04 0.00 -0.25 0.25 -1.29 0.00 0.00 177.43 176.11 3iq6 h LEU 14 N 0.00 -0.58 -0.77 1.61 5.85 -0.59 -1.89 115.31 118.94 3iq6 h LEU 14 Ca 0.05 -0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.83 3iq6 h LEU 14 Cb 0.27 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.36 3iq6 h LEU 14 CO -0.00 -0.25 0.36 0.11 -0.34 0.00 0.00 178.44 178.31 3iq6 h LYS 15 N -0.94 0.53 -0.90 1.25 1.57 -0.85 0.28 116.57 117.51 3iq6 h LYS 15 Ca -0.07 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.82 3iq6 h LYS 15 Cb 0.61 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.73 3iq6 h LYS 15 CO 0.12 0.35 0.58 0.28 -0.57 0.00 0.00 179.45 180.20 3iq6 h VAL 16 N 0.55 0.83 -0.19 0.50 2.07 -1.14 -0.56 116.25 118.31 3iq6 h VAL 16 Ca 0.41 -0.24 -0.16 0.00 0.82 0.00 0.00 66.70 67.52 3iq6 h VAL 16 Cb 0.55 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3iq6 h VAL 16 CO -0.35 0.13 -0.55 0.40 0.02 0.00 0.00 177.57 177.23 3iq6 h ILE 17 N 0.70 1.32 0.00 4.57 2.04 0.36 -1.89 117.51 124.61 3iq6 h ILE 17 Ca 0.45 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.52 3iq6 h ILE 17 Cb 0.72 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 3iq6 h ILE 17 CO -0.21 0.56 0.00 -0.33 0.00 0.00 0.00 178.15 178.17 3iq6 h GLU 18 N 0.44 0.00 -0.17 2.37 5.08 -0.38 -2.97 114.58 118.95 3iq6 h GLU 18 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3iq6 h GLU 18 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3iq6 h GLU 18 CO 0.10 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.74 3iq6 n LYS 19 N -3.03 2.61 -2.21 2.33 5.02 -0.70 -5.05 118.16 117.12 3iq6 n LYS 19 Ca 0.01 -2.22 -0.38 0.00 -2.02 0.00 0.00 58.31 53.70 3iq6 n LYS 19 Cb 0.34 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 33.94 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 -1.84 3.06 -0.22 7.82 0.00 -0.72 -4.97 121.76 124.89 3iq6 s ALA 20 Ca 0.24 1.01 -0.07 0.00 0.00 0.00 0.00 51.96 53.14 3iq6 s ALA 20 Cb 0.18 -3.41 -0.19 0.00 0.00 0.00 0.00 23.12 19.70 3iq6 s ALA 20 CO 0.08 -0.68 -0.02 -0.25 0.00 0.00 0.00 175.76 174.88 3iq6 n ASP 21 N -0.26 2.00 -4.57 0.00 9.92 -1.26 -5.03 116.55 117.34 3iq6 n ASP 21 Ca 0.06 0.13 -0.26 0.00 -0.53 0.00 0.00 54.79 54.19 3iq6 n ASP 21 Cb 0.47 -0.70 -0.10 0.00 -0.64 0.00 0.00 41.12 40.14 3iq6 n ASP 21 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3iq6 s ASN 22 N -6.91 3.83 0.41 -2.24 2.20 -1.26 -5.04 114.94 105.92 3iq6 s ASN 22 Ca -0.31 -1.22 0.16 0.00 -0.94 0.00 0.00 52.86 50.55 3iq6 s ASN 22 Cb 0.09 -0.38 0.89 0.00 -2.00 0.00 0.00 41.25 39.84 3iq6 s ASN 22 CO 0.63 -0.27 1.88 0.00 -2.94 0.00 0.00 177.10 176.40 3iq6 h ALA 23 N 1.93 1.36 -0.05 3.54 0.00 -1.92 -2.91 119.26 121.22 3iq6 h ALA 23 Ca -0.43 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.10 3iq6 h ALA 23 Cb 1.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3iq6 h ALA 23 CO 0.73 0.38 -0.48 0.00 0.00 0.00 0.00 179.25 179.87 3iq6 h ALA 24 N 1.70 1.11 -0.19 0.00 0.00 -1.96 -0.09 119.26 119.82 3iq6 h ALA 24 Ca -0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 3iq6 h ALA 24 Cb 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3iq6 h ALA 24 CO 0.04 0.63 -0.39 1.96 0.00 0.00 0.00 179.25 181.49 3iq6 h GLN 25 N 0.10 0.61 -0.88 0.00 4.20 -1.94 -2.09 115.11 115.11 3iq6 h GLN 25 Ca 0.00 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.30 3iq6 h GLN 25 Cb 0.89 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.68 3iq6 h GLN 25 CO 0.07 1.01 0.46 0.28 -0.67 0.00 0.00 178.83 179.97 3iq6 h VAL 26 N 0.28 1.26 -0.14 -0.54 2.07 -1.43 -1.04 116.25 116.71 3iq6 h VAL 26 Ca 0.01 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 3iq6 h VAL 26 Cb 0.99 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3iq6 h VAL 26 CO 0.09 0.30 -0.03 0.11 0.02 0.00 0.00 177.57 178.06 3iq6 h LYS 27 N 1.23 0.26 -0.10 1.57 1.57 -0.95 -1.82 116.57 118.33 3iq6 h LYS 27 Ca 0.31 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3iq6 h LYS 27 Cb 0.07 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3iq6 h LYS 27 CO -0.04 0.54 0.02 0.22 -0.57 0.00 0.00 179.45 179.62 3iq6 h ASP 28 N -0.03 0.01 -0.08 0.86 1.82 -1.24 -1.41 116.42 116.35 3iq6 h ASP 28 Ca 0.04 0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.70 3iq6 h ASP 28 Cb 0.44 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 3iq6 h ASP 28 CO 0.01 0.02 0.03 0.00 -1.61 0.00 0.00 179.24 177.70 3iq6 h ALA 29 N 1.07 0.09 -0.86 -0.78 0.00 -1.20 -2.22 119.26 115.36 3iq6 h ALA 29 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3iq6 h ALA 29 Cb 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3iq6 h ALA 29 CO -0.06 -0.43 0.55 -0.07 0.00 0.00 0.00 179.25 179.23 3iq6 h LEU 30 N 0.07 0.90 -1.00 0.00 3.38 -1.18 -0.35 115.31 117.13 3iq6 h LEU 30 Ca 0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3iq6 h LEU 30 Cb 0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3iq6 h LEU 30 CO -0.03 0.61 0.44 0.74 0.09 0.00 0.00 178.44 180.29 3iq6 h THR 31 N 1.05 1.24 -0.38 0.22 2.02 -1.06 -0.91 112.91 115.09 3iq6 h THR 31 Ca 0.35 -0.62 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 3iq6 h THR 31 Cb 0.04 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 3iq6 h THR 31 CO -0.13 0.28 -0.16 0.50 0.37 0.00 0.00 175.52 176.38 3iq6 h LYS 32 N 1.15 0.69 -0.41 6.66 1.63 -0.66 -2.56 116.57 123.06 3iq6 h LYS 32 Ca 0.29 -0.24 -0.13 0.00 -0.85 0.00 0.00 60.65 59.72 3iq6 h LYS 32 Cb 0.04 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 3iq6 h LYS 32 CO -0.04 0.81 -0.26 0.52 -3.45 0.00 0.00 179.45 177.03 3iq6 h MET 33 N 0.62 0.90 -0.17 1.90 2.86 -0.43 -2.14 114.93 118.46 3iq6 h MET 33 Ca 0.10 -0.42 -0.03 0.00 -2.06 0.00 0.00 59.70 57.29 3iq6 h MET 33 Cb 0.62 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3iq6 h MET 33 CO 0.04 1.07 -0.04 0.00 1.06 0.00 0.00 176.91 179.05 3iq6 h ALA 34 N 0.81 1.62 -0.08 6.32 0.00 -1.03 0.23 119.26 127.13 3iq6 h ALA 34 Ca 0.08 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3iq6 h ALA 34 Cb 0.84 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3iq6 h ALA 34 CO 0.07 0.28 -0.21 0.00 0.00 0.00 0.00 179.25 179.39 3iq6 h ALA 35 N 1.72 0.13 0.28 0.00 0.00 -1.23 -1.71 119.26 118.46 3iq6 h ALA 35 Ca 0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3iq6 h ALA 35 Cb 0.24 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3iq6 h ALA 35 CO 0.01 0.10 -0.25 0.00 0.00 0.00 0.00 179.25 179.10 3iq6 h ALA 36 N 0.47 -0.54 -0.63 0.00 0.00 -1.01 0.90 119.26 118.46 3iq6 h ALA 36 Ca -0.00 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.95 3iq6 h ALA 36 Cb 0.82 0.35 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 3iq6 h ALA 36 CO 0.05 -0.83 -0.04 0.00 0.00 0.00 0.00 179.25 178.43 3iq6 h ALA 37 N 0.09 0.57 0.43 0.00 0.00 -0.59 -0.31 119.26 119.45 3iq6 h ALA 37 Ca -0.01 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3iq6 h ALA 37 Cb 0.50 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3iq6 h ALA 37 CO -0.04 -0.41 -0.30 0.00 0.00 0.00 0.00 179.25 178.51 3iq6 h ALA 38 N 1.59 -0.71 0.00 0.00 0.00 -0.69 -2.26 119.26 117.19 3iq6 h ALA 38 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3iq6 h ALA 38 Cb 0.52 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3iq6 h ALA 38 CO -0.56 -0.92 0.00 -3.47 0.00 0.00 0.00 179.25 174.30 3iq6 n ASP 39 N -5.43 0.48 0.08 0.00 2.03 0.25 -2.03 116.55 111.93 3iq6 n ASP 39 Ca -0.11 0.67 0.12 0.00 0.52 0.00 0.00 54.79 55.99 3iq6 n ASP 39 Cb 0.33 -0.75 0.14 0.00 -0.72 0.00 0.00 41.12 40.11 3iq6 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iq6 h ALA 40 N 2.14 0.59 -0.17 -1.67 0.00 -0.47 -3.39 119.26 116.28 3iq6 h ALA 40 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3iq6 h ALA 40 Cb 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 3iq6 h ALA 40 CO 0.00 0.00 -0.35 2.35 0.00 0.00 0.00 179.25 181.25 3iq6 h TRP 41 N 0.00 -0.97 0.00 0.00 7.01 -1.20 -2.12 115.95 118.67 3iq6 h TRP 41 Ca 0.00 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.04 3iq6 h TRP 41 Cb 0.81 0.45 0.00 0.00 -2.10 0.00 0.00 29.16 28.33 3iq6 h TRP 41 CO 0.00 -0.42 0.00 -1.13 -2.79 0.00 0.00 178.44 174.10 3iq6 n SER 42 N -5.42 0.00 -4.80 2.65 3.41 -1.26 -4.82 113.62 103.39 3iq6 n SER 42 Ca -0.03 -0.26 -0.35 0.00 -0.26 0.00 0.00 58.87 57.98 3iq6 n SER 42 Cb 0.34 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 64.09 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 -2.29 3.06 -0.18 7.33 0.00 -0.80 -5.06 121.76 123.82 3iq6 s ALA 43 Ca 0.21 0.52 -0.00 0.00 0.00 0.00 0.00 51.96 52.69 3iq6 s ALA 43 Cb 0.12 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 20.05 3iq6 s ALA 43 CO 0.23 0.01 -0.15 0.99 0.00 0.00 0.00 175.76 176.84 3iq6 s THR 44 N -1.92 2.53 0.46 0.00 2.01 -1.26 -4.99 115.64 112.47 3iq6 s THR 44 Ca 0.59 -0.79 -0.20 0.00 0.31 0.00 0.00 61.69 61.60 3iq6 s THR 44 Cb -0.15 -2.09 -0.10 0.00 0.01 0.00 0.00 72.50 70.18 3iq6 s THR 44 CO 0.19 0.51 0.97 -2.16 -0.69 0.00 0.00 174.62 173.44 3iq6 s PRO 45 N 1.16 4.09 0.16 4.92 0.04 -1.26 -4.90 135.00 139.21 3iq6 s PRO 45 Ca 0.01 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 3iq6 s PRO 45 Cb -0.14 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 3iq6 s PRO 45 CO -0.06 -0.16 1.54 -1.35 0.04 0.00 0.00 177.00 177.01 3iq6 h PRO 46 N 1.65 -0.03 0.00 0.56 0.11 -2.00 0.10 132.00 132.40 3iq6 h PRO 46 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3iq6 h PRO 46 Cb 1.19 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3iq6 h PRO 46 CO 0.61 -0.02 0.03 1.63 -0.21 0.00 0.00 178.00 180.04 3iq6 n LYS 47 N -5.28 0.00 -0.22 1.05 5.02 -1.26 -0.46 118.16 117.01 3iq6 n LYS 47 Ca 0.02 0.19 0.05 0.00 -2.02 0.00 0.00 58.31 56.55 3iq6 n LYS 47 Cb 0.28 -1.53 0.06 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.15 1.28 -0.32 -0.35 4.77 0.33 -4.81 117.00 116.75 3iq6 n LEU 48 Ca 0.00 -1.99 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 3iq6 n LEU 48 Cb 0.03 -0.20 0.18 0.00 -2.33 0.00 0.00 43.42 41.10 3iq6 n LEU 48 CO 0.00 0.47 1.27 -0.33 -1.33 0.00 0.00 177.39 177.47 3iq6 h GLU 49 N 0.00 1.16 -0.02 3.23 5.08 -0.47 -2.45 114.58 121.11 3iq6 h GLU 49 Ca 0.00 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.08 3iq6 h GLU 49 Cb 1.10 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 3iq6 h GLU 49 CO 0.00 0.77 -0.87 0.38 -1.00 0.00 0.00 179.01 178.29 3iq6 h ASP 50 N 1.19 0.45 -3.46 1.42 -0.00 -1.87 -3.46 116.42 110.68 3iq6 h ASP 50 Ca 0.35 -0.34 -0.51 0.00 -0.00 0.00 0.00 57.03 56.53 3iq6 h ASP 50 Cb -0.05 -0.14 0.21 0.00 -0.00 0.00 0.00 39.33 39.36 3iq6 h ASP 50 CO -0.09 1.12 -0.42 0.29 -0.00 0.00 0.00 179.24 180.14 3iq6 n LYS 51 N -3.75 -0.61 -3.07 4.15 4.76 -0.92 -4.98 118.16 113.74 3iq6 n LYS 51 Ca -0.05 -0.14 -0.39 0.00 -2.87 0.00 0.00 58.31 54.86 3iq6 n LYS 51 Cb 0.79 -1.98 -0.06 0.00 -1.84 0.00 0.00 35.03 31.95 3iq6 n LYS 51 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3iq6 s SER 52 N -2.16 7.24 0.62 4.39 0.15 -1.26 -4.94 113.70 117.73 3iq6 s SER 52 Ca 0.60 1.47 0.28 0.00 0.70 0.00 0.00 55.95 58.99 3iq6 s SER 52 Cb -0.21 -2.45 1.43 0.00 -1.71 0.00 0.00 66.02 63.09 3iq6 s SER 52 CO 0.65 0.17 1.83 -0.65 1.20 0.00 0.00 173.24 176.44 3iq6 h PRO 53 N 4.79 0.00 -0.34 5.44 0.11 -1.94 0.40 132.00 140.47 3iq6 h PRO 53 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3iq6 h PRO 53 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3iq6 h PRO 53 CO 0.67 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.21 3iq6 n ASP 54 N -3.34 3.32 -4.75 -2.05 10.43 -1.26 -4.56 116.55 114.34 3iq6 n ASP 54 Ca 0.05 -1.96 -0.31 0.00 2.57 0.00 0.00 54.79 55.13 3iq6 n ASP 54 Cb 0.62 -0.21 0.09 0.00 1.84 0.00 0.00 41.12 43.46 3iq6 n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3iq6 s SER 55 N -1.46 4.37 0.33 -2.24 1.04 0.14 -4.82 113.70 111.06 3iq6 s SER 55 Ca 0.35 1.93 0.01 0.00 0.48 0.00 0.00 55.95 58.72 3iq6 s SER 55 Cb 0.21 -2.54 0.57 0.00 0.10 0.00 0.00 66.02 64.37 3iq6 s SER 55 CO 0.30 -2.13 1.98 1.55 0.98 0.00 0.00 173.24 175.92 3iq6 h PRO 56 N -1.01 0.92 -0.39 4.02 0.13 -1.94 -1.77 132.00 131.95 3iq6 h PRO 56 Ca -0.44 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 64.65 3iq6 h PRO 56 Cb 1.24 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 3iq6 h PRO 56 CO 0.50 0.61 0.23 0.93 -0.23 0.00 0.00 178.00 180.04 3iq6 h GLU 57 N 0.95 0.45 -0.22 0.86 3.07 -1.91 0.17 114.58 117.94 3iq6 h GLU 57 Ca 0.28 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 59.01 3iq6 h GLU 57 Cb -0.03 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 3iq6 h GLU 57 CO -0.07 0.30 -0.30 0.52 -1.40 0.00 0.00 179.01 178.06 3iq6 h MET 58 N 0.47 0.44 -0.05 2.33 2.86 -1.71 0.18 114.93 119.45 3iq6 h MET 58 Ca 0.16 -0.18 -0.14 0.00 -2.06 0.00 0.00 59.70 57.47 3iq6 h MET 58 Cb 0.01 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3iq6 h MET 58 CO -0.08 0.70 -0.63 0.45 1.06 0.00 0.00 176.91 178.42 3iq6 h HIS 59 N 0.39 0.22 -0.08 -0.22 3.86 -0.92 -2.39 115.15 116.00 3iq6 h HIS 59 Ca 0.05 -0.09 -0.24 0.00 -1.16 0.00 0.00 60.37 58.93 3iq6 h HIS 59 Cb 0.72 -0.04 0.02 0.00 1.06 0.00 0.00 27.41 29.17 3iq6 h HIS 59 CO 0.02 0.75 -0.90 0.22 0.86 0.00 0.00 177.93 178.88 3iq6 h ASP 60 N 0.12 0.93 0.44 2.45 3.58 -0.35 -2.60 116.42 120.99 3iq6 h ASP 60 Ca -0.01 -0.68 -0.01 0.00 0.42 0.00 0.00 57.03 56.75 3iq6 h ASP 60 Cb 1.13 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.87 3iq6 h ASP 60 CO 0.09 1.48 -0.49 0.15 -2.88 0.00 0.00 179.24 177.59 3iq6 h PHE 61 N 0.47 -1.36 0.00 0.28 3.57 -0.53 -1.43 116.94 117.94 3iq6 h PHE 61 Ca -0.09 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 3iq6 h PHE 61 Cb 1.54 0.54 -0.00 0.00 2.79 0.00 0.00 35.95 40.82 3iq6 h PHE 61 CO 0.10 -0.64 -0.01 0.00 -2.23 0.00 0.00 178.31 175.52 3iq6 h ARG 62 N -0.94 0.00 -0.08 1.11 3.08 -1.52 -1.55 114.38 114.48 3iq6 h ARG 62 Ca -0.05 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 3iq6 h ARG 62 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 3iq6 h ARG 62 CO -0.09 0.01 -0.35 1.25 -1.07 0.00 0.00 179.97 179.72 3iq6 h HIS 63 N 0.00 0.18 -0.42 3.04 2.76 -0.87 -2.00 115.15 117.84 3iq6 h HIS 63 Ca -0.00 -0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.08 3iq6 h HIS 63 Cb 0.02 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 3iq6 h HIS 63 CO 0.00 0.49 0.04 0.78 -1.30 0.00 0.00 177.93 177.94 3iq6 h GLY 64 N 1.11 0.70 1.37 5.26 0.00 -0.51 -1.45 103.07 109.54 3iq6 h GLY 64 Ca 0.02 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.80 3iq6 h GLY 64 CO 0.05 0.38 -0.38 0.74 0.00 0.00 0.00 176.54 177.33 3iq6 h PHE 65 N 0.62 0.83 -0.60 5.60 0.05 -1.37 -0.75 116.94 121.31 3iq6 h PHE 65 Ca 0.13 -0.24 -0.05 0.00 3.82 0.00 0.00 57.97 61.63 3iq6 h PHE 65 Cb 0.33 -0.18 -0.03 0.00 2.00 0.00 0.00 35.95 38.07 3iq6 h PHE 65 CO 0.01 0.97 0.17 -1.49 -0.18 0.00 0.00 178.31 177.80 3iq6 h TRP 66 N 0.57 0.99 -0.58 -0.55 6.55 -0.86 0.11 115.95 122.17 3iq6 h TRP 66 Ca 0.05 -0.11 0.00 0.00 0.95 0.00 0.00 58.89 59.78 3iq6 h TRP 66 Cb 0.92 -0.28 -0.03 0.00 -0.86 0.00 0.00 29.16 28.90 3iq6 h TRP 66 CO 0.04 0.83 0.37 0.82 -1.05 0.00 0.00 178.44 179.45 3iq6 h ILE 67 N 0.87 1.16 0.49 1.49 1.08 -0.99 -0.59 117.51 121.02 3iq6 h ILE 67 Ca 0.19 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 3iq6 h ILE 67 Cb 0.32 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 3iq6 h ILE 67 CO -0.00 0.16 -0.23 0.25 -0.69 0.00 0.00 178.15 177.64 3iq6 h LEU 68 N 0.79 -0.55 -0.85 1.44 5.85 -0.86 -1.14 115.31 119.99 3iq6 h LEU 68 Ca 0.21 0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.07 3iq6 h LEU 68 Cb -0.05 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 3iq6 h LEU 68 CO -0.04 -0.38 0.46 0.40 -0.34 0.00 0.00 178.44 178.54 3iq6 h ILE 69 N -0.68 0.80 -0.52 4.05 2.04 -0.82 0.25 117.51 122.64 3iq6 h ILE 69 Ca -0.07 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3iq6 h ILE 69 Cb 0.51 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3iq6 h ILE 69 CO 0.11 0.13 0.25 1.23 0.00 0.00 0.00 178.15 179.87 3iq6 h GLY 70 N 0.70 0.79 2.00 5.37 0.00 -0.81 -1.07 103.07 110.06 3iq6 h GLY 70 Ca 0.44 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 3iq6 h GLY 70 CO -0.32 0.37 -0.16 1.46 0.00 0.00 0.00 176.54 177.89 3iq6 h GLN 71 N 0.69 0.00 0.04 4.80 4.20 0.06 -2.29 115.11 122.60 3iq6 h GLN 71 Ca 0.18 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.63 3iq6 h GLN 71 Cb 0.11 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.92 3iq6 h GLN 71 CO -0.02 0.16 -1.03 0.82 -0.67 0.00 0.00 178.83 178.09 3iq6 h ILE 72 N 0.00 1.31 -0.25 2.54 2.04 -0.71 -2.33 117.51 120.11 3iq6 h ILE 72 Ca -0.00 -2.28 0.06 0.00 1.00 0.00 0.00 64.86 63.64 3iq6 h ILE 72 Cb 0.65 2.52 -0.08 0.00 -0.74 0.00 0.00 36.82 39.17 3iq6 h ILE 72 CO 0.02 0.70 -0.36 -0.74 0.00 0.00 0.00 178.15 177.76 3iq6 h HIS 73 N 0.27 -1.02 -0.43 1.37 2.76 -0.69 -0.16 115.15 117.25 3iq6 h HIS 73 Ca -0.14 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.08 3iq6 h HIS 73 Cb 1.70 0.49 -0.02 0.00 1.55 0.00 0.00 27.41 31.12 3iq6 h HIS 73 CO 0.12 -0.42 0.24 0.22 -1.30 0.00 0.00 177.93 176.79 3iq6 h ASP 74 N -0.37 0.53 -0.57 3.26 3.58 -1.47 -2.64 116.42 118.75 3iq6 h ASP 74 Ca 0.12 -0.08 0.11 0.00 0.42 0.00 0.00 57.03 57.60 3iq6 h ASP 74 Cb 0.57 -0.13 -0.10 0.00 1.72 0.00 0.00 39.33 41.39 3iq6 h ASP 74 CO -0.45 0.46 -0.02 0.00 -2.88 0.00 0.00 179.24 176.34 3iq6 h ALA 75 N 1.09 0.52 -0.23 -0.78 0.00 -0.78 -2.07 119.26 117.01 3iq6 h ALA 75 Ca 0.15 0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.29 3iq6 h ALA 75 Cb 0.04 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3iq6 h ALA 75 CO -0.03 -0.40 -0.08 1.25 0.00 0.00 0.00 179.25 179.99 3iq6 h LEU 76 N 0.10 -0.29 -0.54 0.00 6.46 -0.69 -1.25 115.31 119.10 3iq6 h LEU 76 Ca 0.29 0.08 0.09 0.00 -0.12 0.00 0.00 57.88 58.21 3iq6 h LEU 76 Cb 0.45 0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 40.49 3iq6 h LEU 76 CO -0.50 -0.11 0.16 0.45 -0.62 0.00 0.00 178.44 177.82 3iq6 h HIS 77 N -0.04 0.26 -0.14 1.25 3.86 -1.21 0.23 115.15 119.36 3iq6 h HIS 77 Ca 0.12 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3iq6 h HIS 77 Cb 0.22 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 3iq6 h HIS 77 CO -0.26 0.05 0.07 -0.07 0.86 0.00 0.00 177.93 178.57 3iq6 h LEU 78 N 0.31 0.10 -1.93 2.43 3.38 -1.01 -0.88 115.31 117.71 3iq6 h LEU 78 Ca 0.27 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 3iq6 h LEU 78 Cb 0.34 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3iq6 h LEU 78 CO -0.31 0.08 0.03 0.00 0.09 0.00 0.00 178.44 178.33 3iq6 h ALA 79 N 1.07 1.95 0.00 1.53 0.00 -0.37 -0.74 119.26 122.70 3iq6 h ALA 79 Ca 0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3iq6 h ALA 79 Cb 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3iq6 h ALA 79 CO -0.04 0.05 -0.55 -0.91 0.00 0.00 0.00 179.25 177.80 3iq6 h ASN 80 N 0.08 0.00 -0.04 0.00 -0.26 0.35 -2.34 115.58 113.36 3iq6 h ASN 80 Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 3iq6 h ASN 80 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3iq6 h ASN 80 CO -0.00 0.55 0.00 -0.62 -1.06 0.00 0.00 177.43 176.29 3iq6 n GLU 81 N -3.87 1.20 -0.52 0.81 1.02 -0.31 -4.86 120.64 114.11 3iq6 n GLU 81 Ca -0.01 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 3iq6 n GLU 81 Cb 0.56 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 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 0.90 1.77 2.86 0.62 0.00 -0.88 -4.90 105.19 105.56 3iq6 n GLY 82 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 2.26 0.15 1.61 5.02 -1.07 -4.77 118.16 119.36 3iq6 n LYS 83 Ca 0.00 -2.19 -0.14 0.00 -2.02 0.00 0.00 58.31 53.96 3iq6 n LYS 83 Cb 0.00 -3.06 -0.07 0.00 -0.02 0.00 0.00 35.03 31.88 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 4.13 0.27 -0.52 -0.18 2.07 -1.87 -1.94 116.25 118.20 3iq6 h VAL 84 Ca 0.52 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.13 3iq6 h VAL 84 Cb 0.61 0.27 -0.10 0.00 -1.52 0.00 0.00 31.29 30.54 3iq6 h VAL 84 CO 1.90 0.00 -0.36 0.11 0.02 0.00 0.00 177.57 179.24 3iq6 h LYS 85 N -0.62 -0.21 -0.16 1.57 1.79 -1.98 0.11 116.57 117.08 3iq6 h LYS 85 Ca 0.01 0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.44 3iq6 h LYS 85 Cb 0.62 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 3iq6 h LYS 85 CO -0.17 -0.14 -0.15 1.05 -1.08 0.00 0.00 179.45 178.97 3iq6 h GLU 86 N -0.21 0.25 -0.83 3.15 9.09 -1.95 -0.91 114.58 123.16 3iq6 h GLU 86 Ca 0.20 -0.06 -0.00 0.00 0.05 0.00 0.00 59.36 59.54 3iq6 h GLU 86 Cb 0.55 -0.03 -0.04 0.00 -1.65 0.00 0.00 28.75 27.58 3iq6 h GLU 86 CO -0.64 0.41 0.51 0.00 0.05 0.00 0.00 179.01 179.35 3iq6 h ALA 87 N 1.61 1.06 -0.28 1.06 0.00 -0.27 0.33 119.26 122.77 3iq6 h ALA 87 Ca 0.05 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3iq6 h ALA 87 Cb 0.42 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3iq6 h ALA 87 CO 0.03 0.51 -0.26 1.96 0.00 0.00 0.00 179.25 181.49 3iq6 h GLN 88 N 1.14 0.54 -0.14 0.00 4.20 -0.11 -1.39 115.11 119.34 3iq6 h GLN 88 Ca 0.30 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 3iq6 h GLN 88 Cb -0.06 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3iq6 h GLN 88 CO -0.06 0.75 -0.41 0.00 -0.67 0.00 0.00 178.83 178.45 3iq6 h ALA 89 N 1.25 1.05 -0.14 3.87 0.00 -0.03 -1.98 119.26 123.27 3iq6 h ALA 89 Ca 0.07 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 3iq6 h ALA 89 Cb 0.70 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3iq6 h ALA 89 CO 0.05 0.60 -0.46 0.00 0.00 0.00 0.00 179.25 179.45 3iq6 h ALA 90 N 1.31 0.95 -0.12 0.00 0.00 0.07 -2.57 119.26 118.90 3iq6 h ALA 90 Ca 0.02 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 3iq6 h ALA 90 Cb 0.83 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3iq6 h ALA 90 CO 0.07 0.64 -0.44 0.00 0.00 0.00 0.00 179.25 179.52 3iq6 h ALA 91 N 1.23 1.02 -0.52 0.00 0.00 -0.94 -2.63 119.26 117.42 3iq6 h ALA 91 Ca 0.02 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 3iq6 h ALA 91 Cb 0.92 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3iq6 h ALA 91 CO 0.08 0.62 0.06 0.93 0.00 0.00 0.00 179.25 180.94 3iq6 h GLU 92 N 0.24 0.83 0.00 0.00 4.39 -1.01 -2.82 114.58 116.22 3iq6 h GLU 92 Ca 0.02 -0.20 -0.11 0.00 0.34 0.00 0.00 59.36 59.40 3iq6 h GLU 92 Cb 0.88 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 3iq6 h GLU 92 CO 0.07 0.80 -0.53 1.96 -1.16 0.00 0.00 179.01 180.15 3iq6 h GLN 93 N 0.79 0.00 0.00 2.33 4.20 -1.11 -2.57 115.11 118.75 3iq6 h GLN 93 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3iq6 h GLN 93 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3iq6 h GLN 93 CO 0.01 0.53 0.00 1.47 -0.67 0.00 0.00 178.83 180.17 3iq6 n LEU 94 N -3.59 0.00 0.15 1.46 -0.00 -1.07 -0.97 117.00 112.98 3iq6 n LEU 94 Ca -0.00 0.49 0.01 0.00 -0.00 0.00 0.00 56.01 56.51 3iq6 n LEU 94 Cb 0.60 -0.49 0.23 0.00 -0.00 0.00 0.00 43.42 43.76 3iq6 n LEU 94 CO 0.40 -0.10 0.56 0.50 -0.00 0.00 0.00 177.39 178.75 3iq6 h LYS 95 N 0.00 0.00 0.00 1.47 3.64 -1.33 -0.53 116.57 119.82 3iq6 h LYS 95 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3iq6 h LYS 95 Cb 0.39 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3iq6 h LYS 95 CO 0.00 0.53 -0.04 0.00 -2.27 0.00 0.00 179.45 177.67 3iq6 h THR 97 N 0.00 1.01 0.24 0.00 2.02 -1.20 -2.99 112.91 111.98 3iq6 h THR 97 Ca -0.00 -2.68 -0.01 0.00 0.77 0.00 0.00 66.41 64.49 3iq6 h THR 97 Cb 0.10 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 3iq6 h THR 97 CO 0.01 0.80 -0.11 0.00 0.37 0.00 0.00 175.52 176.58 3iq6 h ASN 99 N -0.39 0.15 0.01 0.00 -0.26 -1.42 -2.03 115.58 111.64 3iq6 h ASN 99 Ca -0.03 0.03 0.03 0.00 -0.56 0.00 0.00 56.30 55.77 3iq6 h ASN 99 Cb 0.30 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.51 3iq6 h ASN 99 CO 0.05 0.12 -0.31 0.00 -1.06 0.00 0.00 177.43 176.23 3iq6 h ALA 100 N 1.18 -0.46 -0.34 -0.83 0.00 -1.49 0.16 119.26 117.49 3iq6 h ALA 100 Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3iq6 h ALA 100 Cb 0.09 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3iq6 h ALA 100 CO -0.12 -0.83 0.20 0.00 0.00 0.00 0.00 179.25 178.50 3iq6 h HIS 102 N 0.43 -0.56 -0.03 0.00 -0.00 -0.79 0.46 115.15 114.67 3iq6 h HIS 102 Ca 0.12 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.53 3iq6 h HIS 102 Cb 0.02 0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 27.69 3iq6 h HIS 102 CO -0.04 -0.29 0.04 0.37 -0.00 0.00 0.00 177.93 178.01 3iq6 h GLN 103 N -0.26 0.00 0.05 2.45 4.15 -0.59 -1.20 115.11 119.71 3iq6 h GLN 103 Ca 0.10 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.18 3iq6 h GLN 103 Cb 0.42 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.07 3iq6 h GLN 103 CO -0.30 0.00 -1.93 1.17 -1.93 0.00 0.00 178.83 175.84 3iq6 n LYS 104 N -3.86 0.66 -0.00 1.69 4.81 -0.21 -4.74 118.16 116.50 3iq6 n LYS 104 Ca -0.02 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 3iq6 n LYS 104 Cb 0.12 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.52 3iq6 n LYS 104 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3iq6 n TYR 105 N -3.86 0.01 1.35 5.64 0.53 0.14 -5.11 117.16 115.87 3iq6 n TYR 105 Ca -0.38 -0.35 0.13 0.00 -1.02 0.00 0.00 57.90 56.29 3iq6 n TYR 105 Cb 0.90 -0.03 0.40 0.00 -1.03 0.00 0.00 39.34 39.58 3iq6 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71