#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 3.55 0.12 0.00 1.47 -1.26 -4.87 116.67 115.68 3iq6 s ASP 2 Ca 0.00 -0.17 -0.19 0.00 1.18 0.00 0.00 52.55 53.37 3iq6 s ASP 2 Cb 0.00 0.04 -0.06 0.00 -0.34 0.00 0.00 42.92 42.57 3iq6 s ASP 2 CO 0.00 -2.42 1.73 -0.07 0.68 0.00 0.00 175.17 175.09 3iq6 h LEU 3 N -1.16 0.30 -0.24 2.11 3.38 -1.95 -2.22 115.31 115.53 3iq6 h LEU 3 Ca -0.39 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.55 3iq6 h LEU 3 Cb 1.24 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 3iq6 h LEU 3 CO 0.35 0.28 -0.51 -0.33 0.09 0.00 0.00 178.44 178.33 3iq6 h GLU 4 N 0.29 -0.47 -0.38 1.13 5.08 -1.99 0.12 114.58 118.36 3iq6 h GLU 4 Ca 0.09 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3iq6 h GLU 4 Cb 0.05 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3iq6 h GLU 4 CO -0.01 -0.31 0.16 -0.44 -1.00 0.00 0.00 179.01 177.40 3iq6 h ASP 5 N -0.48 0.20 -0.83 1.42 5.19 -1.94 -0.60 116.42 119.37 3iq6 h ASP 5 Ca 0.07 0.03 0.07 0.00 -0.62 0.00 0.00 57.03 56.58 3iq6 h ASP 5 Cb 0.64 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.10 3iq6 h ASP 5 CO -0.49 0.15 0.54 0.78 -3.12 0.00 0.00 179.24 177.10 3iq6 h ASN 6 N 0.33 0.79 -0.05 6.45 2.35 -0.86 -1.67 115.58 122.92 3iq6 h ASN 6 Ca 0.17 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 3iq6 h ASN 6 Cb 0.12 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3iq6 h ASN 6 CO -0.15 0.50 -0.32 0.24 -1.65 0.00 0.00 177.43 176.05 3iq6 h MET 7 N 0.89 0.52 -0.13 0.81 2.86 0.50 -1.91 114.93 118.46 3iq6 h MET 7 Ca 0.36 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3iq6 h MET 7 Cb 0.26 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 3iq6 h MET 7 CO -0.13 0.78 0.00 0.93 1.06 0.00 0.00 176.91 179.55 3iq6 h GLU 8 N 0.45 0.23 -0.88 1.72 5.08 -0.30 -0.27 114.58 120.61 3iq6 h GLU 8 Ca 0.05 -0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 3iq6 h GLU 8 Cb 0.78 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.94 3iq6 h GLU 8 CO 0.06 0.47 0.53 1.15 -1.00 0.00 0.00 179.01 180.22 3iq6 h THR 9 N -0.02 0.96 -0.47 1.13 2.02 -1.27 1.16 112.91 116.40 3iq6 h THR 9 Ca 0.04 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 3iq6 h THR 9 Cb 0.36 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3iq6 h THR 9 CO 0.01 0.16 0.03 -0.07 0.37 0.00 0.00 175.52 176.02 3iq6 h LEU 10 N 0.90 0.79 -0.23 2.58 4.07 -1.17 -1.83 115.31 120.41 3iq6 h LEU 10 Ca 0.41 -0.29 -0.10 0.00 0.08 0.00 0.00 57.88 57.98 3iq6 h LEU 10 Cb 0.32 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 3iq6 h LEU 10 CO -0.23 0.88 -0.24 -1.13 -1.08 0.00 0.00 178.44 176.64 3iq6 h ASN 11 N 0.67 0.62 -0.23 -0.43 -1.24 0.46 -1.71 115.58 113.71 3iq6 h ASN 11 Ca 0.14 -0.48 -0.01 0.00 0.71 0.00 0.00 56.30 56.66 3iq6 h ASN 11 Cb 0.46 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 3iq6 h ASN 11 CO 0.02 0.97 0.11 0.44 -1.29 0.00 0.00 177.43 177.68 3iq6 h ASP 12 N 0.28 0.30 0.86 1.15 5.19 0.13 -2.90 116.42 121.43 3iq6 h ASP 12 Ca 0.04 -0.12 -0.14 0.00 -0.62 0.00 0.00 57.03 56.19 3iq6 h ASP 12 Cb 0.80 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 3iq6 h ASP 12 CO 0.06 0.33 -0.65 0.78 -3.12 0.00 0.00 179.24 176.64 3iq6 h ASN 13 N 0.24 0.00 -0.35 6.45 4.21 -1.37 -2.27 115.58 122.49 3iq6 h ASN 13 Ca 0.08 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.61 3iq6 h ASN 13 Cb 0.11 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.29 3iq6 h ASN 13 CO -0.01 0.65 0.20 0.25 -1.29 0.00 0.00 177.43 177.23 3iq6 h LEU 14 N 0.00 0.31 -0.71 1.61 5.85 -1.23 -0.47 115.31 120.66 3iq6 h LEU 14 Ca -0.01 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3iq6 h LEU 14 Cb 1.26 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 3iq6 h LEU 14 CO 0.08 0.23 0.26 0.11 -0.34 0.00 0.00 178.44 178.78 3iq6 h LYS 15 N 0.40 1.08 -0.84 1.25 1.57 -1.44 -1.37 116.57 117.23 3iq6 h LYS 15 Ca 0.14 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3iq6 h LYS 15 Cb 0.02 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.11 3iq6 h LYS 15 CO -0.07 0.91 0.55 0.28 -0.57 0.00 0.00 179.45 180.54 3iq6 h VAL 16 N 1.03 1.06 -0.39 0.50 2.07 -0.75 0.18 116.25 119.95 3iq6 h VAL 16 Ca 0.23 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 3iq6 h VAL 16 Cb 0.25 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3iq6 h VAL 16 CO -0.01 0.17 -0.12 0.40 0.02 0.00 0.00 177.57 178.03 3iq6 h ILE 17 N 0.93 1.28 -0.62 4.57 2.04 -0.52 -1.71 117.51 123.49 3iq6 h ILE 17 Ca 0.36 -1.22 0.05 0.00 1.00 0.00 0.00 64.86 65.05 3iq6 h ILE 17 Cb 0.21 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 3iq6 h ILE 17 CO -0.13 0.40 0.34 -0.33 0.00 0.00 0.00 178.15 178.44 3iq6 h GLU 18 N 0.57 0.63 -0.58 2.37 5.08 0.06 -2.48 114.58 120.23 3iq6 h GLU 18 Ca 0.09 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3iq6 h GLU 18 Cb 0.65 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3iq6 h GLU 18 CO 0.04 0.42 0.03 1.63 -1.00 0.00 0.00 179.01 180.13 3iq6 n LYS 19 N -4.80 4.69 -2.23 2.33 5.02 -0.30 -5.00 118.16 117.87 3iq6 n LYS 19 Ca 0.07 -3.15 -0.38 0.00 -2.02 0.00 0.00 58.31 52.83 3iq6 n LYS 19 Cb 0.15 -2.25 -0.01 0.00 -0.02 0.00 0.00 35.03 32.91 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 -2.81 3.04 -0.23 7.82 0.00 -0.65 -4.97 121.76 123.96 3iq6 s ALA 20 Ca 0.54 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 53.33 3iq6 s ALA 20 Cb 0.42 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 20.01 3iq6 s ALA 20 CO 0.15 -0.67 -0.19 -0.25 0.00 0.00 0.00 175.76 174.81 3iq6 n ASP 21 N -0.30 1.92 -4.88 0.00 8.00 -1.26 -5.03 116.55 114.99 3iq6 n ASP 21 Ca 0.06 0.39 -0.24 0.00 0.71 0.00 0.00 54.79 55.71 3iq6 n ASP 21 Cb 0.47 -0.85 -0.02 0.00 -0.02 0.00 0.00 41.12 40.70 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 -6.96 4.74 0.10 -2.24 2.20 -1.26 -5.05 114.94 106.47 3iq6 s ASN 22 Ca -0.33 -1.07 -0.12 0.00 -0.94 0.00 0.00 52.86 50.41 3iq6 s ASN 22 Cb 0.10 0.03 -0.15 0.00 -2.00 0.00 0.00 41.25 39.23 3iq6 s ASN 22 CO 0.49 -0.92 1.30 0.00 -2.94 0.00 0.00 177.10 175.02 3iq6 h ALA 23 N 0.88 0.30 -0.82 3.54 0.00 -1.92 -3.27 119.26 117.97 3iq6 h ALA 23 Ca -0.38 -0.62 0.20 0.00 0.00 0.00 0.00 54.91 54.11 3iq6 h ALA 23 Cb 1.29 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 3iq6 h ALA 23 CO 0.58 0.69 0.21 0.00 0.00 0.00 0.00 179.25 180.73 3iq6 h ALA 24 N 0.56 1.13 0.17 0.00 0.00 -1.97 0.22 119.26 119.37 3iq6 h ALA 24 Ca -0.06 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3iq6 h ALA 24 Cb 1.45 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3iq6 h ALA 24 CO 0.17 -0.40 -0.08 1.96 0.00 0.00 0.00 179.25 180.90 3iq6 h GLN 25 N 0.25 -0.21 -0.09 0.00 4.20 -1.98 -1.65 115.11 115.62 3iq6 h GLN 25 Ca 0.49 0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.26 3iq6 h GLN 25 Cb 0.92 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.69 3iq6 h GLN 25 CO -0.59 -0.11 -0.27 0.28 -0.67 0.00 0.00 178.83 177.48 3iq6 h VAL 26 N -0.27 0.38 0.17 -0.54 2.07 -1.15 0.37 116.25 117.28 3iq6 h VAL 26 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3iq6 h VAL 26 Cb 0.21 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3iq6 h VAL 26 CO 0.04 0.00 -0.53 0.11 0.02 0.00 0.00 177.57 177.21 3iq6 h LYS 27 N -0.36 -0.76 -0.79 1.57 6.56 -0.97 0.17 116.57 122.00 3iq6 h LYS 27 Ca 0.09 0.05 0.17 0.00 -1.06 0.00 0.00 60.65 59.90 3iq6 h LYS 27 Cb 0.49 0.17 -0.11 0.00 -0.57 0.00 0.00 32.23 32.21 3iq6 h LYS 27 CO -0.29 -0.51 0.26 0.22 -2.06 0.00 0.00 179.45 177.07 3iq6 h ASP 28 N -0.79 0.15 -0.21 0.86 -0.00 -0.86 -0.16 116.42 115.41 3iq6 h ASP 28 Ca -0.01 0.14 -0.01 0.00 -0.00 0.00 0.00 57.03 57.15 3iq6 h ASP 28 Cb 0.78 0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 40.26 3iq6 h ASP 28 CO -0.26 0.00 0.09 0.00 -0.00 0.00 0.00 179.24 179.07 3iq6 h ALA 29 N 1.63 0.28 -0.30 -0.78 0.00 0.56 -2.61 119.26 118.04 3iq6 h ALA 29 Ca 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3iq6 h ALA 29 Cb 0.78 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3iq6 h ALA 29 CO -0.49 -0.13 0.16 -0.07 0.00 0.00 0.00 179.25 178.71 3iq6 h LEU 30 N 0.19 0.37 -0.83 0.00 3.38 0.32 -1.64 115.31 117.10 3iq6 h LEU 30 Ca 0.07 -0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.09 3iq6 h LEU 30 Cb 0.17 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 3iq6 h LEU 30 CO -0.01 0.35 0.43 0.74 0.09 0.00 0.00 178.44 180.04 3iq6 h THR 31 N 0.36 0.75 -0.22 0.22 2.02 -1.01 0.29 112.91 115.32 3iq6 h THR 31 Ca 0.10 -0.22 -0.14 0.00 0.77 0.00 0.00 66.41 66.93 3iq6 h THR 31 Cb 0.07 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 3iq6 h THR 31 CO -0.02 0.11 -0.43 0.11 0.37 0.00 0.00 175.52 175.67 3iq6 h LYS 32 N 0.63 0.55 -0.33 6.66 1.57 -1.10 -2.48 116.57 122.07 3iq6 h LYS 32 Ca 0.44 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 3iq6 h LYS 32 Cb 0.60 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3iq6 h LYS 32 CO -0.35 0.88 -0.17 0.52 -0.57 0.00 0.00 179.45 179.76 3iq6 h MET 33 N 0.45 0.60 0.18 3.15 2.86 -0.08 -1.34 114.93 120.74 3iq6 h MET 33 Ca 0.03 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3iq6 h MET 33 Cb 0.94 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 3iq6 h MET 33 CO 0.08 0.75 -0.14 0.00 1.06 0.00 0.00 176.91 178.66 3iq6 h ALA 34 N 1.27 -0.31 -0.39 6.32 0.00 -0.20 -0.49 119.26 125.47 3iq6 h ALA 34 Ca 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3iq6 h ALA 34 Cb 0.61 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3iq6 h ALA 34 CO 0.04 -0.69 0.05 0.00 0.00 0.00 0.00 179.25 178.65 3iq6 h ALA 35 N 0.47 1.36 -0.46 0.00 0.00 -1.23 -1.77 119.26 117.62 3iq6 h ALA 35 Ca -0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 3iq6 h ALA 35 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3iq6 h ALA 35 CO -0.01 0.45 -0.19 0.00 0.00 0.00 0.00 179.25 179.50 3iq6 h ALA 36 N 1.48 0.80 -0.29 0.00 0.00 -0.91 -2.01 119.26 118.34 3iq6 h ALA 36 Ca 0.13 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3iq6 h ALA 36 Cb 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3iq6 h ALA 36 CO 0.00 0.65 -0.19 0.00 0.00 0.00 0.00 179.25 179.72 3iq6 h ALA 37 N 0.99 0.41 -0.27 0.00 0.00 -0.64 -1.95 119.26 117.79 3iq6 h ALA 37 Ca 0.11 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3iq6 h ALA 37 Cb 0.73 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3iq6 h ALA 37 CO 0.06 0.34 0.14 0.00 0.00 0.00 0.00 179.25 179.79 3iq6 h ALA 38 N 0.73 0.33 -0.37 0.00 0.00 -1.28 -2.12 119.26 116.56 3iq6 h ALA 38 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3iq6 h ALA 38 Cb 0.73 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3iq6 h ALA 38 CO 0.05 -0.24 0.25 0.22 0.00 0.00 0.00 179.25 179.53 3iq6 h ASP 39 N 0.30 0.35 1.01 0.00 3.58 -1.30 -1.15 116.42 119.20 3iq6 h ASP 39 Ca 0.11 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.55 3iq6 h ASP 39 Cb 0.02 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.99 3iq6 h ASP 39 CO -0.07 0.24 0.00 0.00 -2.88 0.00 0.00 179.24 176.54 3iq6 n ALA 40 N -2.50 1.89 -0.21 -0.78 0.00 -0.74 -4.16 120.51 114.01 3iq6 n ALA 40 Ca 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 3iq6 n ALA 40 Cb 0.14 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.22 3iq6 n ALA 40 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3iq6 h TRP 41 N 0.00 -0.52 -0.32 0.00 2.91 -0.92 -1.21 115.95 115.89 3iq6 h TRP 41 Ca 0.00 0.06 -0.08 0.00 1.13 0.00 0.00 58.89 60.01 3iq6 h TRP 41 Cb 0.50 0.32 -0.05 0.00 -0.51 0.00 0.00 29.16 29.43 3iq6 h TRP 41 CO 0.00 -0.31 0.10 -1.13 -1.03 0.00 0.00 178.44 176.06 3iq6 n SER 42 N -5.44 3.21 -4.84 2.65 3.41 -1.26 -4.91 113.62 106.43 3iq6 n SER 42 Ca 0.07 -2.52 -0.35 0.00 -0.26 0.00 0.00 58.87 55.81 3iq6 n SER 42 Cb 0.35 -0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 63.63 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 -1.70 3.50 -0.29 7.33 0.00 -0.46 -5.05 121.76 125.10 3iq6 s ALA 43 Ca 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 3iq6 s ALA 43 Cb 0.20 -2.61 0.04 0.00 0.00 0.00 0.00 23.12 20.75 3iq6 s ALA 43 CO 0.06 0.42 -0.01 -0.08 0.00 0.00 0.00 175.76 176.15 3iq6 s THR 44 N -1.60 3.02 0.57 0.00 -1.32 -1.26 -5.01 115.64 110.03 3iq6 s THR 44 Ca 0.43 -1.28 -0.18 0.00 -1.21 0.00 0.00 61.69 59.45 3iq6 s THR 44 Cb -0.14 -2.69 -0.04 0.00 -1.51 0.00 0.00 72.50 68.12 3iq6 s THR 44 CO 0.20 -0.04 1.12 -2.16 -2.21 0.00 0.00 174.62 171.53 3iq6 s PRO 45 N 1.28 3.22 0.15 7.08 0.04 -1.26 -4.89 135.00 140.62 3iq6 s PRO 45 Ca -0.04 1.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 3iq6 s PRO 45 Cb -0.19 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 3iq6 s PRO 45 CO -0.02 -0.95 1.55 -1.35 0.04 0.00 0.00 177.00 176.28 3iq6 h PRO 46 N 0.89 -0.24 0.00 0.56 0.11 -1.99 -1.86 132.00 129.47 3iq6 h PRO 46 Ca -0.49 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3iq6 h PRO 46 Cb 1.26 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3iq6 h PRO 46 CO 0.56 -0.16 0.14 0.87 -0.21 0.00 0.00 178.00 179.21 3iq6 h LYS 47 N -0.25 0.00 -0.27 1.05 1.57 -1.93 -1.40 116.57 115.34 3iq6 h LYS 47 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3iq6 h LYS 47 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3iq6 h LYS 47 CO -0.71 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.45 3iq6 n LEU 48 N -2.54 3.13 0.06 2.94 4.77 -0.71 -4.67 117.00 119.97 3iq6 n LEU 48 Ca -0.02 -2.39 0.04 0.00 -0.03 0.00 0.00 56.01 53.61 3iq6 n LEU 48 Cb 0.19 -0.32 0.20 0.00 -2.33 0.00 0.00 43.42 41.15 3iq6 n LEU 48 CO 0.12 0.69 0.62 -0.62 -1.33 0.00 0.00 177.39 176.87 3iq6 n GLU 49 N -0.02 0.05 -0.43 3.23 1.02 -0.53 -0.72 120.64 123.24 3iq6 n GLU 49 Ca 0.14 0.53 0.09 0.00 -0.02 0.00 0.00 57.16 57.90 3iq6 n GLU 49 Cb 0.57 -1.69 0.30 0.00 -0.02 0.00 0.00 31.44 30.60 3iq6 n GLU 49 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3iq6 n ASP 50 N -1.74 4.07 -4.52 1.62 5.75 -1.26 -4.94 116.55 115.53 3iq6 n ASP 50 Ca -0.00 -2.25 -0.29 0.00 -0.01 0.00 0.00 54.79 52.24 3iq6 n ASP 50 Cb 0.04 -0.48 -0.11 0.00 -1.03 0.00 0.00 41.12 39.55 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 -1.47 1.88 0.52 0.11 -0.14 0.11 -5.13 119.74 115.62 3iq6 s LYS 51 Ca 0.44 -1.19 -0.07 0.00 -1.36 0.00 0.00 55.97 53.79 3iq6 s LYS 51 Cb 0.26 -2.14 -0.04 0.00 -1.68 0.00 0.00 37.83 34.24 3iq6 s LYS 51 CO 0.25 0.47 0.85 -1.54 -0.76 0.00 0.00 175.35 174.62 3iq6 s SER 52 N -2.34 6.22 0.00 2.83 1.04 -1.26 -4.95 113.70 115.25 3iq6 s SER 52 Ca 0.20 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.68 3iq6 s SER 52 Cb -0.10 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.74 3iq6 s SER 52 CO 0.12 -0.68 0.38 -2.65 0.98 0.00 0.00 173.24 171.39 3iq6 n PRO 53 N -2.40 0.62 0.00 4.02 -0.02 -1.26 -2.02 135.00 133.93 3iq6 n PRO 53 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3iq6 n PRO 53 Cb 0.55 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 3iq6 n PRO 53 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3iq6 n ASP 54 N 0.30 0.21 -4.87 2.55 8.00 -1.26 -4.95 116.55 116.54 3iq6 n ASP 54 Ca 0.00 -1.09 -0.31 0.00 0.71 0.00 0.00 54.79 54.10 3iq6 n ASP 54 Cb 0.19 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.27 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 -0.09 6.44 0.37 -2.24 1.04 -0.86 -4.94 113.70 113.41 3iq6 s SER 55 Ca 0.00 1.33 0.05 0.00 0.48 0.00 0.00 55.95 57.81 3iq6 s SER 55 Cb 0.00 -2.41 0.73 0.00 0.10 0.00 0.00 66.02 64.44 3iq6 s SER 55 CO 0.00 -0.62 1.99 -0.65 0.98 0.00 0.00 173.24 174.94 3iq6 h PRO 56 N 0.55 0.73 -0.69 4.02 0.11 -1.98 -1.97 132.00 132.77 3iq6 h PRO 56 Ca -0.46 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 3iq6 h PRO 56 Cb 1.19 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 3iq6 h PRO 56 CO 0.62 0.49 0.19 0.93 -0.21 0.00 0.00 178.00 180.02 3iq6 h GLU 57 N 0.76 1.08 -0.00 1.05 3.07 -1.93 -0.39 114.58 118.21 3iq6 h GLU 57 Ca 0.27 -0.24 -0.16 0.00 -0.50 0.00 0.00 59.36 58.74 3iq6 h GLU 57 Cb 0.12 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 3iq6 h GLU 57 CO -0.08 0.93 -0.74 0.52 -1.40 0.00 0.00 179.01 178.25 3iq6 h MET 58 N 1.03 0.03 -0.04 2.33 2.86 -1.68 0.23 114.93 119.70 3iq6 h MET 58 Ca 0.22 -0.03 -0.21 0.00 -2.06 0.00 0.00 59.70 57.62 3iq6 h MET 58 Cb 0.32 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.99 3iq6 h MET 58 CO -0.00 0.76 -0.86 0.45 1.06 0.00 0.00 176.91 178.32 3iq6 h HIS 59 N 0.02 0.63 -0.29 -0.22 3.86 -1.16 -0.48 115.15 117.50 3iq6 h HIS 59 Ca -0.01 -0.31 -0.19 0.00 -1.16 0.00 0.00 60.37 58.70 3iq6 h HIS 59 Cb 1.31 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.70 3iq6 h HIS 59 CO 0.00 1.11 -0.56 0.22 0.86 0.00 0.00 177.93 179.57 3iq6 h ASP 60 N 0.27 0.99 -0.32 2.45 3.58 -0.99 -0.55 116.42 121.85 3iq6 h ASP 60 Ca -0.06 -0.53 0.00 0.00 0.42 0.00 0.00 57.03 56.86 3iq6 h ASP 60 Cb 1.47 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 3iq6 h ASP 60 CO 0.15 1.34 0.21 0.15 -2.88 0.00 0.00 179.24 178.20 3iq6 h PHE 61 N 0.68 0.41 -0.48 0.28 3.57 -0.83 -2.75 116.94 117.82 3iq6 h PHE 61 Ca 0.01 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 3iq6 h PHE 61 Cb 1.17 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 3iq6 h PHE 61 CO 0.07 0.28 -0.20 0.00 -2.23 0.00 0.00 178.31 176.23 3iq6 h ARG 62 N 0.43 0.98 -0.60 1.11 3.08 -1.01 -2.61 114.38 115.76 3iq6 h ARG 62 Ca 0.12 -0.42 0.18 0.00 0.07 0.00 0.00 59.98 59.92 3iq6 h ARG 62 Cb -0.02 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3iq6 h ARG 62 CO -0.02 1.09 0.45 1.25 -1.07 0.00 0.00 179.97 181.67 3iq6 h HIS 63 N 0.83 0.00 -0.40 3.04 2.76 -0.94 0.59 115.15 121.03 3iq6 h HIS 63 Ca 0.11 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.29 3iq6 h HIS 63 Cb 0.78 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.72 3iq6 h HIS 63 CO 0.05 0.00 0.27 0.78 -1.30 0.00 0.00 177.93 177.73 3iq6 h GLY 64 N 0.00 0.55 1.69 5.26 0.00 -1.16 -1.84 103.07 107.57 3iq6 h GLY 64 Ca 0.29 -0.20 -0.24 0.00 0.00 0.00 0.00 47.33 47.17 3iq6 h GLY 64 CO -0.00 0.19 -1.09 0.74 0.00 0.00 0.00 176.54 176.38 3iq6 h PHE 65 N 0.52 0.41 -0.77 5.60 -1.00 0.07 -2.66 116.94 119.11 3iq6 h PHE 65 Ca 0.15 -0.27 0.07 0.00 2.81 0.00 0.00 57.97 60.73 3iq6 h PHE 65 Cb -0.02 -0.03 -0.06 0.00 3.61 0.00 0.00 35.95 39.46 3iq6 h PHE 65 CO -0.00 1.17 0.45 -1.49 -1.61 0.00 0.00 178.31 176.82 3iq6 h TRP 66 N 0.10 0.82 -0.15 -0.55 6.55 -1.07 0.11 115.95 121.76 3iq6 h TRP 66 Ca -0.09 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.77 3iq6 h TRP 66 Cb 1.79 -0.26 -0.01 0.00 -0.86 0.00 0.00 29.16 29.83 3iq6 h TRP 66 CO 0.05 0.39 0.08 0.82 -1.05 0.00 0.00 178.44 178.72 3iq6 h ILE 67 N 0.81 1.11 -0.52 1.49 2.04 -1.39 -1.94 117.51 119.11 3iq6 h ILE 67 Ca 0.35 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 3iq6 h ILE 67 Cb 0.22 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3iq6 h ILE 67 CO -0.19 0.11 0.25 0.25 0.00 0.00 0.00 178.15 178.56 3iq6 h LEU 68 N 0.13 0.68 -0.85 1.44 5.85 -1.00 -2.36 115.31 119.21 3iq6 h LEU 68 Ca 0.05 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 3iq6 h LEU 68 Cb 0.10 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3iq6 h LEU 68 CO -0.01 0.63 0.28 0.40 -0.34 0.00 0.00 178.44 179.39 3iq6 h ILE 69 N 0.69 1.25 -0.25 4.05 2.04 -0.75 -1.85 117.51 122.70 3iq6 h ILE 69 Ca 0.18 -0.83 -0.09 0.00 1.00 0.00 0.00 64.86 65.12 3iq6 h ILE 69 Cb 0.13 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3iq6 h ILE 69 CO -0.02 0.33 -0.23 1.23 0.00 0.00 0.00 178.15 179.46 3iq6 h GLY 70 N 1.12 0.49 2.00 5.37 0.00 -1.14 -1.44 103.07 109.48 3iq6 h GLY 70 Ca 0.25 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 3iq6 h GLY 70 CO -0.02 0.36 -0.45 1.46 0.00 0.00 0.00 176.54 177.89 3iq6 h GLN 71 N 0.41 0.00 0.03 4.80 4.20 -1.02 -2.41 115.11 121.12 3iq6 h GLN 71 Ca 0.06 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.53 3iq6 h GLN 71 Cb 0.63 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.42 3iq6 h GLN 71 CO 0.05 0.45 -1.03 0.82 -0.67 0.00 0.00 178.83 178.45 3iq6 h ILE 72 N 0.00 1.38 -0.26 2.54 2.04 -1.08 -2.01 117.51 120.12 3iq6 h ILE 72 Ca -0.00 -2.49 0.04 0.00 1.00 0.00 0.00 64.86 63.41 3iq6 h ILE 72 Cb 1.07 2.51 -0.04 0.00 -0.74 0.00 0.00 36.82 39.62 3iq6 h ILE 72 CO 0.06 0.75 0.01 -0.74 0.00 0.00 0.00 178.15 178.23 3iq6 h HIS 73 N 0.24 0.01 -0.40 1.37 2.76 -1.05 0.75 115.15 118.84 3iq6 h HIS 73 Ca -0.11 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 57.94 3iq6 h HIS 73 Cb 1.68 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 30.67 3iq6 h HIS 73 CO 0.07 -0.03 -0.31 0.22 -1.30 0.00 0.00 177.93 176.58 3iq6 h ASP 74 N 0.10 0.97 -0.65 3.26 3.58 -1.45 -2.87 116.42 119.35 3iq6 h ASP 74 Ca 0.12 -0.44 0.06 0.00 0.42 0.00 0.00 57.03 57.20 3iq6 h ASP 74 Cb 0.15 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 40.88 3iq6 h ASP 74 CO -0.20 1.21 0.35 0.00 -2.88 0.00 0.00 179.24 177.72 3iq6 h ALA 75 N 0.79 0.87 -0.34 -0.78 0.00 -0.89 -2.12 119.26 116.79 3iq6 h ALA 75 Ca 0.07 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3iq6 h ALA 75 Cb 0.90 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3iq6 h ALA 75 CO 0.08 0.00 -0.05 1.25 0.00 0.00 0.00 179.25 180.53 3iq6 h LEU 76 N 0.63 0.52 0.01 0.00 5.85 -0.78 -1.59 115.31 119.97 3iq6 h LEU 76 Ca 0.30 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3iq6 h LEU 76 Cb 0.22 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3iq6 h LEU 76 CO -0.20 0.63 -0.01 0.45 -0.34 0.00 0.00 178.44 178.97 3iq6 h HIS 77 N 0.52 -0.02 -0.85 1.25 3.86 -1.18 0.67 115.15 119.41 3iq6 h HIS 77 Ca 0.10 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.41 3iq6 h HIS 77 Cb 0.41 0.01 -0.07 0.00 1.06 0.00 0.00 27.41 28.82 3iq6 h HIS 77 CO 0.02 0.17 0.49 -0.07 0.86 0.00 0.00 177.93 179.40 3iq6 h LEU 78 N -0.21 0.72 -1.30 2.43 3.38 -1.30 0.73 115.31 119.76 3iq6 h LEU 78 Ca -0.00 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3iq6 h LEU 78 Cb 0.20 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3iq6 h LEU 78 CO 0.00 0.41 -0.32 0.00 0.09 0.00 0.00 178.44 178.63 3iq6 h ALA 79 N 1.46 1.22 0.00 1.53 0.00 -0.96 -2.23 119.26 120.28 3iq6 h ALA 79 Ca 0.41 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3iq6 h ALA 79 Cb 0.37 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3iq6 h ALA 79 CO -0.24 0.39 -0.14 -0.91 0.00 0.00 0.00 179.25 178.35 3iq6 h ASN 80 N 0.00 0.00 -0.30 0.00 -0.26 0.14 -3.06 115.58 112.10 3iq6 h ASN 80 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3iq6 h ASN 80 Cb 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 3iq6 h ASN 80 CO 0.04 0.14 0.00 -0.62 -1.06 0.00 0.00 177.43 175.93 3iq6 n GLU 81 N -3.18 2.01 0.00 0.81 1.02 -0.48 -4.91 120.64 115.91 3iq6 n GLU 81 Ca 0.02 -1.53 0.00 0.00 -0.02 0.00 0.00 57.16 55.63 3iq6 n GLU 81 Cb 0.50 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 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 1.24 3.10 3.54 0.62 0.00 -1.16 -4.93 105.19 107.61 3iq6 n GLY 82 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.65 0.33 -0.04 1.61 5.02 -0.96 -4.73 118.16 117.74 3iq6 n LYS 83 Ca 0.00 -1.67 -0.13 0.00 -2.02 0.00 0.00 58.31 54.49 3iq6 n LYS 83 Cb 0.00 -3.59 -0.08 0.00 -0.02 0.00 0.00 35.03 31.35 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 6.19 1.34 -0.49 -0.18 2.07 -1.90 -2.01 116.25 121.28 3iq6 h VAL 84 Ca 0.10 -1.20 -0.08 0.00 0.82 0.00 0.00 66.70 66.34 3iq6 h VAL 84 Cb 0.92 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 3iq6 h VAL 84 CO 1.28 0.34 -0.02 0.11 0.02 0.00 0.00 177.57 179.31 3iq6 h LYS 85 N -0.13 0.82 -0.39 1.57 1.79 -1.97 -1.45 116.57 116.82 3iq6 h LYS 85 Ca 0.02 -0.23 -0.10 0.00 -2.18 0.00 0.00 60.65 58.15 3iq6 h LYS 85 Cb 0.59 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 3iq6 h LYS 85 CO 0.02 0.84 -0.18 0.93 -1.08 0.00 0.00 179.45 179.98 3iq6 h GLU 86 N 0.76 0.74 -0.91 3.15 3.07 -1.96 -0.77 114.58 118.67 3iq6 h GLU 86 Ca 0.14 -0.28 0.02 0.00 -0.50 0.00 0.00 59.36 58.75 3iq6 h GLU 86 Cb 0.49 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.30 3iq6 h GLU 86 CO 0.02 0.87 0.60 0.00 -1.40 0.00 0.00 179.01 179.11 3iq6 h ALA 87 N 1.14 1.39 -0.08 3.43 0.00 -0.70 0.29 119.26 124.73 3iq6 h ALA 87 Ca 0.10 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3iq6 h ALA 87 Cb 0.67 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3iq6 h ALA 87 CO 0.05 0.54 -0.65 1.96 0.00 0.00 0.00 179.25 181.14 3iq6 h GLN 88 N 1.18 0.30 0.05 0.00 4.20 -0.69 0.54 115.11 120.68 3iq6 h GLN 88 Ca 0.35 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 3iq6 h GLN 88 Cb -0.05 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3iq6 h GLN 88 CO -0.09 0.85 -0.02 0.00 -0.67 0.00 0.00 178.83 178.89 3iq6 h ALA 89 N 1.09 -0.07 -0.58 3.87 0.00 0.24 0.23 119.26 124.05 3iq6 h ALA 89 Ca -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3iq6 h ALA 89 Cb 1.19 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3iq6 h ALA 89 CO 0.11 -0.46 0.33 0.00 0.00 0.00 0.00 179.25 179.23 3iq6 h ALA 90 N 0.71 1.50 -0.28 0.00 0.00 -0.34 0.23 119.26 121.09 3iq6 h ALA 90 Ca -0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3iq6 h ALA 90 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3iq6 h ALA 90 CO 0.01 0.43 -0.15 0.00 0.00 0.00 0.00 179.25 179.54 3iq6 h ALA 91 N 1.57 0.39 0.00 0.00 0.00 -0.45 -1.58 119.26 119.19 3iq6 h ALA 91 Ca 0.21 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3iq6 h ALA 91 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3iq6 h ALA 91 CO -0.04 0.29 -0.17 0.93 0.00 0.00 0.00 179.25 180.26 3iq6 h GLU 92 N 0.33 0.00 -0.39 0.00 4.39 -0.11 -2.72 114.58 116.08 3iq6 h GLU 92 Ca 0.06 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 3iq6 h GLU 92 Cb 0.67 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 3iq6 h GLU 92 CO 0.04 0.17 0.01 0.37 -1.16 0.00 0.00 179.01 178.44 3iq6 h GLN 93 N 0.00 0.68 0.00 2.33 5.75 0.25 -2.90 115.11 121.22 3iq6 h GLN 93 Ca -0.00 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 3iq6 h GLN 93 Cb 0.51 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.99 3iq6 h GLN 93 CO 0.02 0.77 0.00 1.47 -2.65 0.00 0.00 178.83 178.45 3iq6 n LEU 94 N -4.46 0.00 0.26 -2.39 -0.00 -0.67 -1.93 117.00 107.80 3iq6 n LEU 94 Ca -0.01 0.50 0.10 0.00 -0.00 0.00 0.00 56.01 56.60 3iq6 n LEU 94 Cb 0.28 -0.50 0.69 0.00 -0.00 0.00 0.00 43.42 43.88 3iq6 n LEU 94 CO 0.40 -0.22 0.98 0.50 -0.00 0.00 0.00 177.39 179.06 3iq6 h LYS 95 N 0.00 0.00 -0.96 1.47 3.64 -1.53 -0.61 116.57 118.58 3iq6 h LYS 95 Ca 0.00 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3iq6 h LYS 95 Cb 0.28 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 3iq6 h LYS 95 CO 0.00 0.11 0.63 0.00 -2.27 0.00 0.00 179.45 177.92 3iq6 h THR 97 N 1.14 1.45 0.20 0.00 2.02 -1.31 -2.73 112.91 113.67 3iq6 h THR 97 Ca 0.41 -2.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.30 3iq6 h THR 97 Cb 0.14 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 3iq6 h THR 97 CO -0.15 0.67 -0.09 0.00 0.37 0.00 0.00 175.52 176.31 3iq6 h ASN 99 N -0.40 -0.55 -1.12 0.00 -0.26 -1.39 -2.53 115.58 109.32 3iq6 h ASN 99 Ca -0.03 0.03 0.33 0.00 -0.56 0.00 0.00 56.30 56.07 3iq6 h ASN 99 Cb 0.31 0.16 -0.05 0.00 -1.06 0.00 0.00 38.32 37.68 3iq6 h ASN 99 CO 0.04 -0.36 0.81 0.00 -1.06 0.00 0.00 177.43 176.86 3iq6 h ALA 100 N 0.03 3.06 0.02 -0.83 0.00 -1.52 0.57 119.26 120.58 3iq6 h ALA 100 Ca -0.04 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.54 3iq6 h ALA 100 Cb 0.46 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3iq6 h ALA 100 CO 0.05 -1.38 -1.60 0.00 0.00 0.00 0.00 179.25 176.32 3iq6 h HIS 102 N 0.01 0.71 0.00 0.00 -0.00 -0.18 0.22 115.15 115.91 3iq6 h HIS 102 Ca -0.25 -0.34 -0.06 0.00 -0.00 0.00 0.00 60.37 59.72 3iq6 h HIS 102 Cb 1.98 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 29.28 3iq6 h HIS 102 CO 0.01 1.14 -0.29 0.37 -0.00 0.00 0.00 177.93 179.16 3iq6 h GLN 103 N 0.33 0.00 0.02 2.45 4.15 -0.17 -1.36 115.11 120.53 3iq6 h GLN 103 Ca -0.06 0.00 -0.39 0.00 0.77 0.00 0.00 58.65 58.97 3iq6 h GLN 103 Cb 1.44 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.08 3iq6 h GLN 103 CO 0.15 0.29 -2.30 1.17 -1.93 0.00 0.00 178.83 176.21 3iq6 n LYS 104 N -3.80 0.65 -0.01 1.69 4.81 -1.17 -4.77 118.16 115.56 3iq6 n LYS 104 Ca -0.01 0.24 0.01 0.00 -0.87 0.00 0.00 58.31 57.67 3iq6 n LYS 104 Cb 0.38 -1.57 0.02 0.00 0.02 0.00 0.00 35.03 33.88 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 -3.65 0.03 1.42 5.64 4.02 0.75 -5.10 117.16 120.27 3iq6 n TYR 105 Ca -0.44 -0.13 0.14 0.00 -0.01 0.00 0.00 57.90 57.45 3iq6 n TYR 105 Cb 0.95 -0.01 0.46 0.00 -0.02 0.00 0.00 39.34 40.72 3iq6 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72