#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 5.06 0.27 0.00 1.47 -1.26 -4.81 116.67 117.40 3iq6 s ASP 2 Ca 0.00 1.04 0.00 0.00 1.18 0.00 0.00 52.55 54.77 3iq6 s ASP 2 Cb 0.00 -1.74 0.58 0.00 -0.34 0.00 0.00 42.92 41.42 3iq6 s ASP 2 CO 0.00 -1.58 1.74 0.25 0.68 0.00 0.00 175.17 176.27 3iq6 h LEU 3 N -0.82 0.47 -0.51 2.11 6.46 -1.96 -1.52 115.31 119.55 3iq6 h LEU 3 Ca -0.46 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.40 3iq6 h LEU 3 Cb 1.28 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.23 3iq6 h LEU 3 CO 0.64 0.16 0.26 -0.08 -0.62 0.00 0.00 178.44 178.80 3iq6 h GLU 4 N 0.56 0.72 -0.40 1.25 4.81 -1.99 -0.33 114.58 119.21 3iq6 h GLU 4 Ca 0.49 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.58 3iq6 h GLU 4 Cb 0.75 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 3iq6 h GLU 4 CO -0.40 0.59 0.12 -0.44 -0.73 0.00 0.00 179.01 178.14 3iq6 h ASP 5 N 0.68 0.59 -0.81 1.04 3.32 -1.68 -1.81 116.42 117.74 3iq6 h ASP 5 Ca 0.18 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3iq6 h ASP 5 Cb 0.09 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3iq6 h ASP 5 CO -0.02 0.64 0.49 0.78 -1.72 0.00 0.00 179.24 179.41 3iq6 h ASN 6 N 0.50 0.96 -0.48 6.45 2.35 -1.12 -0.94 115.58 123.30 3iq6 h ASN 6 Ca 0.13 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3iq6 h ASN 6 Cb 0.27 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3iq6 h ASN 6 CO -0.00 0.74 0.30 0.24 -1.65 0.00 0.00 177.43 177.05 3iq6 h MET 7 N 1.11 0.66 -0.28 0.81 2.86 -0.80 -0.58 114.93 118.72 3iq6 h MET 7 Ca 0.29 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.81 3iq6 h MET 7 Cb -0.05 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 3iq6 h MET 7 CO -0.06 0.46 -0.08 0.93 1.06 0.00 0.00 176.91 179.23 3iq6 h GLU 8 N 0.67 0.54 -0.72 1.72 4.39 -0.36 0.18 114.58 121.01 3iq6 h GLU 8 Ca 0.18 -0.21 0.05 0.00 0.34 0.00 0.00 59.36 59.71 3iq6 h GLU 8 Cb -0.03 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 3iq6 h GLU 8 CO -0.03 0.76 0.44 1.15 -1.16 0.00 0.00 179.01 180.16 3iq6 h THR 9 N 0.29 1.04 -0.13 1.13 2.02 -0.74 0.18 112.91 116.70 3iq6 h THR 9 Ca 0.07 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 3iq6 h THR 9 Cb 0.57 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3iq6 h THR 9 CO 0.03 0.15 0.03 0.25 0.37 0.00 0.00 175.52 176.35 3iq6 h LEU 10 N 0.82 0.19 -0.17 2.58 5.85 -0.83 -2.18 115.31 121.57 3iq6 h LEU 10 Ca 0.31 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3iq6 h LEU 10 Cb 0.11 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3iq6 h LEU 10 CO -0.15 0.36 0.05 -1.13 -0.34 0.00 0.00 178.44 177.24 3iq6 h ASN 11 N 0.01 0.26 -0.57 1.25 -1.24 -0.04 -2.95 115.58 112.29 3iq6 h ASN 11 Ca 0.04 -0.21 -0.00 0.00 0.71 0.00 0.00 56.30 56.84 3iq6 h ASN 11 Cb 0.24 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.20 3iq6 h ASN 11 CO -0.00 0.40 0.35 0.44 -1.29 0.00 0.00 177.43 177.33 3iq6 h ASP 12 N 0.10 0.68 0.74 1.15 3.32 -0.66 -2.48 116.42 119.27 3iq6 h ASP 12 Ca 0.06 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iq6 h ASP 12 Cb 0.24 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3iq6 h ASP 12 CO -0.00 0.54 0.00 0.59 -1.72 0.00 0.00 179.24 178.64 3iq6 n ASN 13 N -4.64 0.23 0.01 6.45 4.13 -0.82 -1.28 115.26 119.33 3iq6 n ASN 13 Ca 0.04 0.55 -0.18 0.00 1.68 0.00 0.00 54.58 56.66 3iq6 n ASN 13 Cb 0.05 -0.60 -0.12 0.00 -1.54 0.00 0.00 39.78 37.57 3iq6 n ASN 13 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 3iq6 h LEU 14 N 0.00 0.44 -0.56 3.41 5.85 -1.27 -2.39 115.31 120.78 3iq6 h LEU 14 Ca 0.00 -0.84 -0.08 0.00 0.84 0.00 0.00 57.88 57.81 3iq6 h LEU 14 Cb 0.37 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3iq6 h LEU 14 CO 0.00 1.23 0.06 0.11 -0.34 0.00 0.00 178.44 179.50 3iq6 h LYS 15 N -0.30 0.96 -0.91 1.25 1.57 -1.21 -1.80 116.57 116.14 3iq6 h LYS 15 Ca -0.09 -0.28 0.05 0.00 -1.87 0.00 0.00 60.65 58.47 3iq6 h LYS 15 Cb 1.36 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.51 3iq6 h LYS 15 CO 0.11 0.93 0.60 0.28 -0.57 0.00 0.00 179.45 180.80 3iq6 h VAL 16 N 0.85 1.11 -0.37 0.50 2.07 -1.22 -2.16 116.25 117.02 3iq6 h VAL 16 Ca 0.17 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 3iq6 h VAL 16 Cb 0.46 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3iq6 h VAL 16 CO 0.02 0.20 -0.20 0.40 0.02 0.00 0.00 177.57 178.00 3iq6 h ILE 17 N 1.08 1.28 0.00 4.57 2.04 -0.99 -1.07 117.51 124.43 3iq6 h ILE 17 Ca 0.38 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.88 3iq6 h ILE 17 Cb 0.12 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3iq6 h ILE 17 CO -0.13 0.44 -0.11 -0.33 0.00 0.00 0.00 178.15 178.02 3iq6 h GLU 18 N 0.59 0.00 -0.02 2.37 5.08 -0.74 -2.68 114.58 119.18 3iq6 h GLU 18 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3iq6 h GLU 18 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3iq6 h GLU 18 CO 0.06 0.11 -0.19 1.63 -1.00 0.00 0.00 179.01 179.62 3iq6 n LYS 19 N -3.85 1.57 -0.57 2.33 5.02 -0.87 -5.01 118.16 116.78 3iq6 n LYS 19 Ca -0.02 -1.19 -0.30 0.00 -2.02 0.00 0.00 58.31 54.78 3iq6 n LYS 19 Cb 0.21 -1.33 0.22 0.00 -0.02 0.00 0.00 35.03 34.10 3iq6 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iq6 n ALA 20 N 0.43 -1.93 0.00 7.82 0.00 -0.42 -4.98 120.51 121.43 3iq6 n ALA 20 Ca 0.09 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3iq6 n ALA 20 Cb 0.41 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3iq6 n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iq6 n ASP 21 N -4.63 4.02 -4.66 0.00 8.00 -1.26 -5.06 116.55 112.96 3iq6 n ASP 21 Ca 0.07 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.31 3iq6 n ASP 21 Cb 0.53 0.14 -0.09 0.00 -0.02 0.00 0.00 41.12 41.67 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 -3.62 4.09 0.14 -2.24 2.20 -1.26 -5.04 114.94 109.21 3iq6 s ASN 22 Ca 0.00 -1.23 -0.15 0.00 -0.94 0.00 0.00 52.86 50.54 3iq6 s ASN 22 Cb 0.00 -0.44 0.01 0.00 -2.00 0.00 0.00 41.25 38.82 3iq6 s ASN 22 CO 0.00 -0.46 1.69 0.00 -2.94 0.00 0.00 177.10 175.39 3iq6 h ALA 23 N 1.66 0.57 -1.13 3.54 0.00 -1.89 -2.86 119.26 119.15 3iq6 h ALA 23 Ca -0.43 -0.15 0.33 0.00 0.00 0.00 0.00 54.91 54.66 3iq6 h ALA 23 Cb 1.25 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 3iq6 h ALA 23 CO 0.76 0.18 0.72 0.00 0.00 0.00 0.00 179.25 180.90 3iq6 h ALA 24 N 1.02 2.37 0.00 0.00 0.00 -1.97 0.53 119.26 121.21 3iq6 h ALA 24 Ca 0.15 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 3iq6 h ALA 24 Cb 0.20 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3iq6 h ALA 24 CO -0.01 -0.88 -0.56 1.96 0.00 0.00 0.00 179.25 179.76 3iq6 h GLN 25 N 0.28 0.00 0.06 0.00 4.20 -1.93 -2.81 115.11 114.91 3iq6 h GLN 25 Ca 0.69 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.40 3iq6 h GLN 25 Cb 1.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.68 3iq6 h GLN 25 CO -0.38 0.56 -0.03 0.28 -0.67 0.00 0.00 178.83 178.59 3iq6 h VAL 26 N 0.00 0.65 -1.01 -0.54 2.07 -0.02 -2.77 116.25 114.63 3iq6 h VAL 26 Ca -0.01 -1.36 0.26 0.00 0.82 0.00 0.00 66.70 66.42 3iq6 h VAL 26 Cb 1.37 1.19 -0.13 0.00 -1.52 0.00 0.00 31.29 32.20 3iq6 h VAL 26 CO 0.07 0.21 0.59 0.11 0.02 0.00 0.00 177.57 178.57 3iq6 h LYS 27 N -0.99 0.51 0.87 1.57 1.57 -1.16 0.12 116.57 119.07 3iq6 h LYS 27 Ca -0.01 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3iq6 h LYS 27 Cb 0.41 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.61 3iq6 h LYS 27 CO 0.01 0.34 -0.42 0.22 -0.57 0.00 0.00 179.45 179.04 3iq6 h ASP 28 N 0.53 -0.99 -0.58 0.86 1.82 -1.55 -1.20 116.42 115.31 3iq6 h ASP 28 Ca 0.66 0.03 0.04 0.00 -0.39 0.00 0.00 57.03 57.37 3iq6 h ASP 28 Cb 1.32 0.26 -0.05 0.00 0.68 0.00 0.00 39.33 41.54 3iq6 h ASP 28 CO -0.49 -0.68 0.32 0.00 -1.61 0.00 0.00 179.24 176.78 3iq6 h ALA 29 N -1.12 0.76 -0.49 -0.78 0.00 -0.85 -1.58 119.26 115.21 3iq6 h ALA 29 Ca -0.12 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3iq6 h ALA 29 Cb 0.90 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3iq6 h ALA 29 CO 0.20 0.00 0.23 -0.07 0.00 0.00 0.00 179.25 179.61 3iq6 h LEU 30 N 0.62 0.61 -0.26 0.00 3.38 -0.83 -0.53 115.31 118.29 3iq6 h LEU 30 Ca 0.25 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 3iq6 h LEU 30 Cb 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3iq6 h LEU 30 CO -0.15 0.52 0.03 0.74 0.09 0.00 0.00 178.44 179.67 3iq6 h THR 31 N 0.68 1.24 -0.00 0.22 2.02 -0.41 0.21 112.91 116.86 3iq6 h THR 31 Ca 0.17 -0.83 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 3iq6 h THR 31 Cb 0.08 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3iq6 h THR 31 CO -0.02 0.27 -0.23 0.11 0.37 0.00 0.00 175.52 176.01 3iq6 h LYS 32 N 0.25 0.01 -0.14 6.66 1.57 -0.80 -2.02 116.57 122.08 3iq6 h LYS 32 Ca 0.08 -0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.64 3iq6 h LYS 32 Cb 0.37 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.69 3iq6 h LYS 32 CO 0.01 0.24 -0.75 0.52 -0.57 0.00 0.00 179.45 178.90 3iq6 h MET 33 N 0.01 0.76 -0.59 3.15 2.86 -0.60 -2.31 114.93 118.20 3iq6 h MET 33 Ca -0.00 -0.62 0.00 0.00 -2.06 0.00 0.00 59.70 57.02 3iq6 h MET 33 Cb 0.42 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 3iq6 h MET 33 CO 0.03 1.23 0.38 0.00 1.06 0.00 0.00 176.91 179.62 3iq6 h ALA 34 N 0.53 0.75 0.00 6.32 0.00 -0.56 0.43 119.26 126.74 3iq6 h ALA 34 Ca -0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3iq6 h ALA 34 Cb 1.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3iq6 h ALA 34 CO 0.15 0.20 -0.21 0.00 0.00 0.00 0.00 179.25 179.39 3iq6 h ALA 35 N 1.21 1.31 0.02 0.00 0.00 -1.35 -0.57 119.26 119.87 3iq6 h ALA 35 Ca 0.22 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3iq6 h ALA 35 Cb -0.08 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.69 3iq6 h ALA 35 CO -0.05 0.27 -0.68 0.00 0.00 0.00 0.00 179.25 178.79 3iq6 h ALA 36 N 1.79 0.05 -0.42 0.00 0.00 -0.72 -2.61 119.26 117.35 3iq6 h ALA 36 Ca -0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 3iq6 h ALA 36 Cb 0.49 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3iq6 h ALA 36 CO 0.03 0.39 0.12 0.00 0.00 0.00 0.00 179.25 179.79 3iq6 h ALA 37 N 0.29 0.56 -0.85 0.00 0.00 -0.70 -1.16 119.26 117.40 3iq6 h ALA 37 Ca -0.09 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3iq6 h ALA 37 Cb 1.40 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 3iq6 h ALA 37 CO 0.13 0.22 0.56 0.00 0.00 0.00 0.00 179.25 180.15 3iq6 h ALA 38 N 0.97 1.10 0.00 0.00 0.00 -1.18 -1.66 119.26 118.49 3iq6 h ALA 38 Ca 0.14 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3iq6 h ALA 38 Cb 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3iq6 h ALA 38 CO -0.00 0.43 -0.53 0.22 0.00 0.00 0.00 179.25 179.37 3iq6 h ASP 39 N 1.11 0.00 0.29 0.00 3.58 -1.11 -3.00 116.42 117.28 3iq6 h ASP 39 Ca 0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.78 3iq6 h ASP 39 Cb -0.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.99 3iq6 h ASP 39 CO -0.09 0.53 -0.25 0.00 -2.88 0.00 0.00 179.24 176.55 3iq6 n ALA 40 N -2.42 3.05 -0.35 -0.78 0.00 -0.47 -4.50 120.51 115.05 3iq6 n ALA 40 Ca -0.01 -0.37 0.10 0.00 0.00 0.00 0.00 53.44 53.16 3iq6 n ALA 40 Cb 0.56 -1.17 0.21 0.00 0.00 0.00 0.00 19.45 19.05 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 0.99 -0.31 -0.86 0.00 2.91 -1.17 -2.22 115.95 115.30 3iq6 h TRP 41 Ca 0.00 0.08 -0.61 0.00 1.13 0.00 0.00 58.89 59.50 3iq6 h TRP 41 Cb 0.48 0.29 -0.36 0.00 -0.51 0.00 0.00 29.16 29.06 3iq6 h TRP 41 CO 0.00 -0.44 -0.05 0.43 -1.03 0.00 0.00 178.44 177.36 3iq6 n SER 42 N -5.57 6.16 -4.94 2.65 7.64 -1.26 -4.90 113.62 113.40 3iq6 n SER 42 Ca 0.19 -3.77 -0.25 0.00 1.01 0.00 0.00 58.87 56.05 3iq6 n SER 42 Cb 0.63 -0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 3iq6 n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iq6 s ALA 43 N -3.70 3.80 -0.20 -0.43 0.00 -0.84 -5.09 121.76 115.30 3iq6 s ALA 43 Ca 0.57 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 3iq6 s ALA 43 Cb 0.46 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 21.59 3iq6 s ALA 43 CO 0.02 0.26 -0.13 0.95 0.00 0.00 0.00 175.76 176.86 3iq6 s THR 44 N -2.02 2.68 0.72 0.00 -4.23 -1.26 -5.02 115.64 106.50 3iq6 s THR 44 Ca 0.38 -0.73 -0.14 0.00 -1.18 0.00 0.00 61.69 60.02 3iq6 s THR 44 Cb -0.10 -2.18 0.04 0.00 1.34 0.00 0.00 72.50 71.60 3iq6 s THR 44 CO 0.31 0.49 1.16 -2.16 -0.54 0.00 0.00 174.62 173.87 3iq6 s PRO 45 N 1.37 2.29 0.27 3.99 0.04 -1.26 -4.84 135.00 136.86 3iq6 s PRO 45 Ca 0.05 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.66 3iq6 s PRO 45 Cb -0.14 -1.87 0.62 0.00 0.04 0.00 0.00 34.50 33.15 3iq6 s PRO 45 CO -0.08 -1.68 1.70 -1.35 0.04 0.00 0.00 177.00 175.62 3iq6 h PRO 46 N -0.38 0.37 0.00 0.56 0.11 -2.00 -0.19 132.00 130.47 3iq6 h PRO 46 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3iq6 h PRO 46 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3iq6 h PRO 46 CO 0.51 0.24 0.00 1.63 -0.21 0.00 0.00 178.00 180.17 3iq6 n LYS 47 N -5.07 0.50 -0.52 1.05 5.02 -1.26 -2.74 118.16 115.15 3iq6 n LYS 47 Ca 0.19 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.50 3iq6 n LYS 47 Cb 0.57 -1.24 0.03 0.00 -0.02 0.00 0.00 35.03 34.37 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 -0.74 0.57 -0.09 -0.35 4.77 -0.09 -4.85 117.00 116.23 3iq6 n LEU 48 Ca 0.06 -1.53 0.11 0.00 -0.03 0.00 0.00 56.01 54.61 3iq6 n LEU 48 Cb 0.03 -0.09 0.48 0.00 -2.33 0.00 0.00 43.42 41.50 3iq6 n LEU 48 CO 0.04 0.38 1.19 -0.33 -1.33 0.00 0.00 177.39 177.34 3iq6 h GLU 49 N 0.11 0.45 0.00 3.23 5.08 -1.46 -1.93 114.58 120.06 3iq6 h GLU 49 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3iq6 h GLU 49 Cb 1.37 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3iq6 h GLU 49 CO 0.01 0.30 0.00 -0.40 -1.00 0.00 0.00 179.01 177.92 3iq6 n ASP 50 N -4.47 0.61 -4.91 1.42 5.75 -1.26 -4.88 116.55 108.81 3iq6 n ASP 50 Ca 0.09 0.58 -0.30 0.00 -0.01 0.00 0.00 54.79 55.15 3iq6 n ASP 50 Cb 0.33 -0.74 -0.04 0.00 -1.03 0.00 0.00 41.12 39.64 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 -3.14 3.57 0.53 0.11 -0.14 -0.73 -5.10 119.74 114.85 3iq6 s LYS 51 Ca 0.09 -0.19 -0.17 0.00 -1.36 0.00 0.00 55.97 54.34 3iq6 s LYS 51 Cb 0.12 -2.86 -0.07 0.00 -1.68 0.00 0.00 37.83 33.34 3iq6 s LYS 51 CO 0.51 0.46 1.01 0.45 -0.76 0.00 0.00 175.35 177.02 3iq6 s SER 52 N -2.64 6.37 0.53 2.83 0.15 -1.26 -4.92 113.70 114.76 3iq6 s SER 52 Ca 0.40 1.68 0.17 0.00 0.70 0.00 0.00 55.95 58.89 3iq6 s SER 52 Cb -0.12 -2.52 1.31 0.00 -1.71 0.00 0.00 66.02 62.98 3iq6 s SER 52 CO 0.26 -0.76 2.16 -0.65 1.20 0.00 0.00 173.24 175.45 3iq6 h PRO 53 N 0.88 0.00 -2.08 5.44 0.11 -1.98 -1.93 132.00 132.44 3iq6 h PRO 53 Ca -0.47 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 64.98 3iq6 h PRO 53 Cb 1.20 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.09 3iq6 h PRO 53 CO 0.60 0.00 0.90 -3.47 -0.21 0.00 0.00 178.00 175.82 3iq6 n ASP 54 N -4.48 7.13 -4.46 -2.05 4.64 -1.26 -4.52 116.55 111.54 3iq6 n ASP 54 Ca -0.03 -3.51 -0.25 0.00 -1.38 0.00 0.00 54.79 49.62 3iq6 n ASP 54 Cb 0.09 -1.17 -0.11 0.00 -1.04 0.00 0.00 41.12 38.89 3iq6 n ASP 54 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 3iq6 s SER 55 N -0.39 3.60 0.46 1.67 1.04 -0.73 -5.03 113.70 114.33 3iq6 s SER 55 Ca 0.54 -0.92 0.14 0.00 0.48 0.00 0.00 55.95 56.20 3iq6 s SER 55 Cb 0.37 -0.33 1.03 0.00 0.10 0.00 0.00 66.02 67.20 3iq6 s SER 55 CO -0.29 0.08 2.01 -0.65 0.98 0.00 0.00 173.24 175.38 3iq6 h PRO 56 N 2.70 0.01 -0.35 4.02 0.11 -1.91 -1.66 132.00 134.92 3iq6 h PRO 56 Ca -0.43 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.57 3iq6 h PRO 56 Cb 1.23 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3iq6 h PRO 56 CO 0.54 0.16 -0.21 0.93 -0.21 0.00 0.00 178.00 179.22 3iq6 h GLU 57 N 0.01 0.76 0.00 1.05 3.07 -1.95 -0.99 114.58 116.52 3iq6 h GLU 57 Ca 0.00 -0.35 -0.11 0.00 -0.50 0.00 0.00 59.36 58.40 3iq6 h GLU 57 Cb 0.27 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 3iq6 h GLU 57 CO 0.02 0.97 -0.53 1.98 -1.40 0.00 0.00 179.01 180.04 3iq6 h MET 58 N 0.54 0.00 -0.17 2.33 4.05 -1.77 0.38 114.93 120.29 3iq6 h MET 58 Ca 0.07 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.43 3iq6 h MET 58 Cb 0.76 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.56 3iq6 h MET 58 CO 0.06 0.53 -0.13 0.45 0.23 0.00 0.00 176.91 178.05 3iq6 h HIS 59 N 0.00 0.47 0.00 1.39 3.86 -1.15 -0.98 115.15 118.74 3iq6 h HIS 59 Ca -0.01 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 59.01 3iq6 h HIS 59 Cb 1.08 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 3iq6 h HIS 59 CO 0.00 0.74 -0.30 0.22 0.86 0.00 0.00 177.93 179.45 3iq6 h ASP 60 N 0.06 0.00 -0.02 2.45 1.82 -1.08 -1.18 116.42 118.47 3iq6 h ASP 60 Ca 0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 3iq6 h ASP 60 Cb 0.65 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.66 3iq6 h ASP 60 CO 0.03 0.30 -0.04 0.15 -1.61 0.00 0.00 179.24 178.08 3iq6 h PHE 61 N 0.00 0.08 -0.54 0.28 3.57 -0.73 -3.19 116.94 116.40 3iq6 h PHE 61 Ca -0.00 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 3iq6 h PHE 61 Cb 0.76 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 3iq6 h PHE 61 CO 0.00 0.62 0.23 0.00 -2.23 0.00 0.00 178.31 176.93 3iq6 h ARG 62 N -0.49 0.77 -0.92 1.11 3.08 -1.05 -2.33 114.38 114.56 3iq6 h ARG 62 Ca 0.00 -0.11 0.22 0.00 0.07 0.00 0.00 59.98 60.16 3iq6 h ARG 62 Cb 0.61 -0.14 -0.12 0.00 0.08 0.00 0.00 29.97 30.40 3iq6 h ARG 62 CO 0.01 0.62 0.45 1.25 -1.07 0.00 0.00 179.97 181.23 3iq6 h HIS 63 N 0.77 0.76 -0.69 3.04 2.76 -1.20 0.39 115.15 120.98 3iq6 h HIS 63 Ca 0.19 0.04 0.12 0.00 -2.20 0.00 0.00 60.37 58.52 3iq6 h HIS 63 Cb 0.13 -0.19 -0.09 0.00 1.55 0.00 0.00 27.41 28.80 3iq6 h HIS 63 CO 0.01 0.01 0.26 0.78 -1.30 0.00 0.00 177.93 177.68 3iq6 h GLY 64 N 0.48 1.01 1.08 5.26 0.00 -1.45 -0.05 103.07 109.39 3iq6 h GLY 64 Ca 0.57 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.68 3iq6 h GLY 64 CO -0.50 -0.07 -0.04 0.74 0.00 0.00 0.00 176.54 176.67 3iq6 h PHE 65 N 0.41 1.16 -0.62 5.60 0.05 -0.37 -0.13 116.94 123.04 3iq6 h PHE 65 Ca 0.37 -0.22 0.10 0.00 3.82 0.00 0.00 57.97 62.05 3iq6 h PHE 65 Cb 0.53 -0.30 -0.08 0.00 2.00 0.00 0.00 35.95 38.10 3iq6 h PHE 65 CO -0.18 1.04 0.21 -1.49 -0.18 0.00 0.00 178.31 177.71 3iq6 h TRP 66 N 0.94 0.36 0.18 -0.55 6.55 -0.05 0.20 115.95 123.58 3iq6 h TRP 66 Ca 0.16 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 60.02 3iq6 h TRP 66 Cb 0.60 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.84 3iq6 h TRP 66 CO 0.04 0.06 -0.08 0.82 -1.05 0.00 0.00 178.44 178.23 3iq6 h ILE 67 N 0.37 0.88 0.18 1.49 1.08 -0.75 -1.96 117.51 118.81 3iq6 h ILE 67 Ca 0.32 -0.24 0.01 0.00 -0.39 0.00 0.00 64.86 64.56 3iq6 h ILE 67 Cb 0.42 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 3iq6 h ILE 67 CO -0.34 0.06 -0.22 0.25 -0.69 0.00 0.00 178.15 177.20 3iq6 h LEU 68 N -0.35 -0.61 -0.90 1.44 5.85 -0.24 -0.88 115.31 119.62 3iq6 h LEU 68 Ca -0.02 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.85 3iq6 h LEU 68 Cb 0.27 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 3iq6 h LEU 68 CO 0.04 -0.32 0.54 0.40 -0.34 0.00 0.00 178.44 178.76 3iq6 h ILE 69 N -0.45 0.95 -0.44 4.05 2.04 -0.68 0.19 117.51 123.16 3iq6 h ILE 69 Ca 0.01 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.60 3iq6 h ILE 69 Cb 0.45 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 3iq6 h ILE 69 CO -0.08 0.17 0.20 1.23 0.00 0.00 0.00 178.15 179.67 3iq6 h GLY 70 N 0.92 0.60 1.24 5.37 0.00 -0.57 -0.59 103.07 110.04 3iq6 h GLY 70 Ca 0.43 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.53 3iq6 h GLY 70 CO -0.23 0.08 -0.02 1.46 0.00 0.00 0.00 176.54 177.83 3iq6 h GLN 71 N 0.41 0.91 -0.22 4.80 4.20 0.17 -2.11 115.11 123.27 3iq6 h GLN 71 Ca 0.20 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 3iq6 h GLN 71 Cb 0.13 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3iq6 h GLN 71 CO -0.16 0.92 -0.18 0.82 -0.67 0.00 0.00 178.83 179.56 3iq6 h ILE 72 N 0.84 1.23 -0.21 2.54 2.04 -0.53 0.11 117.51 123.53 3iq6 h ILE 72 Ca 0.15 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 3iq6 h ILE 72 Cb 0.53 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3iq6 h ILE 72 CO 0.03 0.33 0.04 -0.74 0.00 0.00 0.00 178.15 177.81 3iq6 h HIS 73 N 0.34 0.36 -0.30 1.37 2.76 -0.83 -1.90 115.15 116.95 3iq6 h HIS 73 Ca 0.06 -0.05 -0.13 0.00 -2.20 0.00 0.00 60.37 58.06 3iq6 h HIS 73 Cb 0.52 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.38 3iq6 h HIS 73 CO 0.01 0.47 -0.31 0.22 -1.30 0.00 0.00 177.93 177.02 3iq6 h ASP 74 N 0.15 0.78 -0.98 3.26 3.58 -1.03 -2.95 116.42 119.23 3iq6 h ASP 74 Ca 0.06 -0.47 0.09 0.00 0.42 0.00 0.00 57.03 57.13 3iq6 h ASP 74 Cb 0.29 -0.22 -0.07 0.00 1.72 0.00 0.00 39.33 41.05 3iq6 h ASP 74 CO 0.00 1.10 0.62 0.00 -2.88 0.00 0.00 179.24 178.08 3iq6 h ALA 75 N 0.71 1.41 -0.51 -0.78 0.00 -0.73 -2.05 119.26 117.31 3iq6 h ALA 75 Ca 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3iq6 h ALA 75 Cb 0.88 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3iq6 h ALA 75 CO 0.08 0.33 0.25 1.25 0.00 0.00 0.00 179.25 181.15 3iq6 h LEU 76 N 1.07 0.66 -0.54 0.00 5.85 -1.21 -0.56 115.31 120.58 3iq6 h LEU 76 Ca 0.45 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 59.13 3iq6 h LEU 76 Cb 0.30 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 3iq6 h LEU 76 CO -0.21 0.59 0.19 0.45 -0.34 0.00 0.00 178.44 179.12 3iq6 h HIS 77 N 0.67 0.33 -0.86 1.25 3.86 -1.22 0.50 115.15 119.68 3iq6 h HIS 77 Ca 0.17 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3iq6 h HIS 77 Cb 0.11 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 3iq6 h HIS 77 CO -0.01 0.09 0.55 -0.07 0.86 0.00 0.00 177.93 179.35 3iq6 h LEU 78 N 0.36 1.01 -0.53 2.43 3.38 -1.17 -1.12 115.31 119.67 3iq6 h LEU 78 Ca 0.27 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3iq6 h LEU 78 Cb 0.31 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3iq6 h LEU 78 CO -0.28 0.75 0.16 0.00 0.09 0.00 0.00 178.44 179.16 3iq6 h ALA 79 N 1.43 0.70 -0.04 1.53 0.00 0.93 -2.61 119.26 121.20 3iq6 h ALA 79 Ca 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3iq6 h ALA 79 Cb -0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3iq6 h ALA 79 CO -0.06 0.36 -0.08 -0.91 0.00 0.00 0.00 179.25 178.56 3iq6 h ASN 80 N 0.73 0.05 -0.01 0.00 -0.26 0.81 -1.88 115.58 115.03 3iq6 h ASN 80 Ca 0.17 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 3iq6 h ASN 80 Cb 0.29 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 3iq6 h ASN 80 CO -0.00 0.14 0.00 -0.62 -1.06 0.00 0.00 177.43 175.89 3iq6 n GLU 81 N -4.41 1.05 -0.96 0.81 1.02 -0.52 -4.88 120.64 112.74 3iq6 n GLU 81 Ca -0.02 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3iq6 n GLU 81 Cb 0.17 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 0.89 0.77 3.14 0.62 0.00 -0.71 -4.93 105.19 104.97 3iq6 n GLY 82 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.18 3.11 -0.22 1.61 5.02 -1.01 -4.77 118.16 119.72 3iq6 n LYS 83 Ca 0.00 -3.07 -0.00 0.00 -2.02 0.00 0.00 58.31 53.22 3iq6 n LYS 83 Cb 0.02 -3.32 0.11 0.00 -0.02 0.00 0.00 35.03 31.82 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 4.65 0.87 -0.31 -0.18 2.07 -1.88 -1.01 116.25 120.46 3iq6 h VAL 84 Ca 0.48 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.76 3iq6 h VAL 84 Cb 0.75 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3iq6 h VAL 84 CO 1.64 0.10 -0.02 0.11 0.02 0.00 0.00 177.57 179.43 3iq6 h LYS 85 N 0.56 0.55 -0.45 1.57 1.57 -1.96 -1.68 116.57 116.72 3iq6 h LYS 85 Ca 0.31 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3iq6 h LYS 85 Cb 0.30 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3iq6 h LYS 85 CO -0.24 0.70 -0.01 0.93 -0.57 0.00 0.00 179.45 180.26 3iq6 h GLU 86 N 0.34 0.75 -0.58 3.15 3.07 -1.90 -1.11 114.58 118.31 3iq6 h GLU 86 Ca 0.08 -0.20 -0.11 0.00 -0.50 0.00 0.00 59.36 58.64 3iq6 h GLU 86 Cb 0.47 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 3iq6 h GLU 86 CO 0.02 0.77 -0.06 0.00 -1.40 0.00 0.00 179.01 178.34 3iq6 h ALA 87 N 1.29 0.80 -0.71 3.43 0.00 -1.09 -0.89 119.26 122.09 3iq6 h ALA 87 Ca 0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3iq6 h ALA 87 Cb 0.44 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3iq6 h ALA 87 CO 0.02 0.68 0.22 1.96 0.00 0.00 0.00 179.25 182.13 3iq6 h GLN 88 N 0.95 1.09 -0.40 0.00 4.20 -0.83 0.74 115.11 120.86 3iq6 h GLN 88 Ca 0.16 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 3iq6 h GLN 88 Cb 0.62 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3iq6 h GLN 88 CO 0.04 0.93 0.06 0.00 -0.67 0.00 0.00 178.83 179.19 3iq6 h ALA 89 N 1.19 0.53 -0.24 3.87 0.00 -0.89 -0.20 119.26 123.51 3iq6 h ALA 89 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3iq6 h ALA 89 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3iq6 h ALA 89 CO -0.01 0.25 0.09 0.00 0.00 0.00 0.00 179.25 179.58 3iq6 h ALA 90 N 0.92 1.72 -0.18 0.00 0.00 -0.64 -1.28 119.26 119.80 3iq6 h ALA 90 Ca 0.12 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3iq6 h ALA 90 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3iq6 h ALA 90 CO 0.01 0.23 -0.34 0.00 0.00 0.00 0.00 179.25 179.15 3iq6 h ALA 91 N 1.78 0.29 0.00 0.00 0.00 -0.20 -2.31 119.26 118.81 3iq6 h ALA 91 Ca 0.08 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3iq6 h ALA 91 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3iq6 h ALA 91 CO -0.01 0.34 0.00 1.49 0.00 0.00 0.00 179.25 181.07 3iq6 h GLU 92 N 0.21 0.00 0.00 0.00 4.22 -0.60 -2.58 114.58 115.84 3iq6 h GLU 92 Ca 0.01 0.00 -0.18 0.00 0.08 0.00 0.00 59.36 59.27 3iq6 h GLU 92 Cb 0.93 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 3iq6 h GLU 92 CO 0.08 0.00 -1.12 0.37 -2.18 0.00 0.00 179.01 176.15 3iq6 h GLN 93 N 0.00 0.00 0.00 1.92 4.15 -0.92 -3.12 115.11 117.14 3iq6 h GLN 93 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3iq6 h GLN 93 Cb 0.35 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.04 3iq6 h GLN 93 CO 0.00 0.53 0.00 1.47 -1.93 0.00 0.00 178.83 178.90 3iq6 n LEU 94 N -3.10 0.50 0.11 -2.39 -0.00 -0.90 -1.97 117.00 109.25 3iq6 n LEU 94 Ca -0.06 0.58 0.03 0.00 -0.00 0.00 0.00 56.01 56.57 3iq6 n LEU 94 Cb 0.87 -0.47 0.42 0.00 -0.00 0.00 0.00 43.42 44.24 3iq6 n LEU 94 CO 0.43 -0.30 0.95 0.50 -0.00 0.00 0.00 177.39 178.98 3iq6 h LYS 95 N 0.00 0.27 0.00 1.47 3.64 -1.50 0.99 116.57 121.44 3iq6 h LYS 95 Ca 0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3iq6 h LYS 95 Cb 0.49 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3iq6 h LYS 95 CO 0.00 0.34 -0.04 0.00 -2.27 0.00 0.00 179.45 177.48 3iq6 h THR 97 N 0.00 1.50 0.71 0.00 2.02 -0.97 -2.71 112.91 113.46 3iq6 h THR 97 Ca -0.00 -2.98 -0.03 0.00 0.77 0.00 0.00 66.41 64.17 3iq6 h THR 97 Cb 0.07 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 3iq6 h THR 97 CO 0.00 0.87 -0.38 0.00 0.37 0.00 0.00 175.52 176.39 3iq6 h ASN 99 N -1.00 -0.85 -0.68 0.00 -0.26 -1.51 -2.04 115.58 109.24 3iq6 h ASN 99 Ca -0.09 0.16 0.14 0.00 -0.56 0.00 0.00 56.30 55.95 3iq6 h ASN 99 Cb 0.78 0.41 -0.13 0.00 -1.06 0.00 0.00 38.32 38.33 3iq6 h ASN 99 CO 0.13 -0.29 -0.13 0.00 -1.06 0.00 0.00 177.43 176.09 3iq6 h ALA 100 N 0.85 0.50 -0.42 -0.83 0.00 -1.39 0.16 119.26 118.13 3iq6 h ALA 100 Ca 0.16 0.25 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 3iq6 h ALA 100 Cb 0.48 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3iq6 h ALA 100 CO -0.45 -0.42 -0.18 0.00 0.00 0.00 0.00 179.25 178.19 3iq6 h HIS 102 N 0.71 0.26 0.00 0.00 -0.00 -0.18 0.33 115.15 116.28 3iq6 h HIS 102 Ca 0.11 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 3iq6 h HIS 102 Cb 0.69 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.03 3iq6 h HIS 102 CO 0.04 0.40 0.00 1.96 -0.00 0.00 0.00 177.93 180.33 3iq6 h GLN 103 N 0.05 0.00 0.00 2.45 4.20 -0.82 -1.81 115.11 119.18 3iq6 h GLN 103 Ca 0.05 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 3iq6 h GLN 103 Cb 0.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3iq6 h GLN 103 CO 0.00 0.00 -1.74 1.17 -0.67 0.00 0.00 178.83 177.59 3iq6 n LYS 104 N -3.04 1.00 0.00 1.46 4.81 -1.11 -4.81 118.16 116.46 3iq6 n LYS 104 Ca -0.01 -0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 3iq6 n LYS 104 Cb 0.17 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 33.89 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 -2.19 0.00 0.54 5.64 4.02 0.11 -5.09 117.16 120.19 3iq6 n TYR 105 Ca -0.10 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.85 3iq6 n TYR 105 Cb 0.59 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.96 3iq6 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72