#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 -2.39 -0.03 0.00 8.00 -1.26 -4.76 116.55 116.12 3iq6 n ASP 2 Ca 0.00 0.10 -0.15 0.00 0.71 0.00 0.00 54.79 55.46 3iq6 n ASP 2 Cb 0.00 -1.06 -0.10 0.00 -0.02 0.00 0.00 41.12 39.94 3iq6 n ASP 2 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3iq6 h LEU 3 N -1.77 0.27 -0.45 0.64 6.46 -1.97 -1.72 115.31 116.76 3iq6 h LEU 3 Ca -0.48 -0.66 0.09 0.00 -0.12 0.00 0.00 57.88 56.70 3iq6 h LEU 3 Cb 1.32 -0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 41.09 3iq6 h LEU 3 CO 0.35 0.89 -0.08 -0.33 -0.62 0.00 0.00 178.44 178.65 3iq6 h GLU 4 N -0.34 0.03 -0.50 1.25 5.08 -1.99 0.98 114.58 119.10 3iq6 h GLU 4 Ca -0.02 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3iq6 h GLU 4 Cb 0.88 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 3iq6 h GLU 4 CO 0.05 0.02 0.23 -0.44 -1.00 0.00 0.00 179.01 177.87 3iq6 h ASP 5 N 0.03 0.66 -0.75 1.42 3.32 -1.91 0.23 116.42 119.42 3iq6 h ASP 5 Ca 0.22 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3iq6 h ASP 5 Cb 0.33 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 3iq6 h ASP 5 CO -0.44 0.62 0.35 0.78 -1.72 0.00 0.00 179.24 178.82 3iq6 h ASN 6 N 0.67 1.00 -0.59 6.45 2.35 -0.37 -1.60 115.58 123.49 3iq6 h ASN 6 Ca 0.17 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3iq6 h ASN 6 Cb 0.14 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3iq6 h ASN 6 CO -0.02 0.87 0.22 0.24 -1.65 0.00 0.00 177.43 177.09 3iq6 h MET 7 N 1.07 0.93 -0.37 0.81 2.86 -0.55 -1.45 114.93 118.23 3iq6 h MET 7 Ca 0.26 -0.17 0.05 0.00 -2.06 0.00 0.00 59.70 57.78 3iq6 h MET 7 Cb 0.15 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 3iq6 h MET 7 CO -0.03 0.78 0.10 1.49 1.06 0.00 0.00 176.91 180.31 3iq6 h GLU 8 N 0.91 0.23 0.00 1.72 4.57 -0.20 0.41 114.58 122.21 3iq6 h GLU 8 Ca 0.21 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.32 3iq6 h GLU 8 Cb 0.23 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 3iq6 h GLU 8 CO -0.01 0.15 -0.26 1.15 -1.18 0.00 0.00 179.01 178.86 3iq6 h THR 9 N 0.23 0.99 -0.08 0.32 2.02 -0.65 0.18 112.91 115.93 3iq6 h THR 9 Ca 0.17 -0.96 -0.10 0.00 0.77 0.00 0.00 66.41 66.29 3iq6 h THR 9 Cb 0.18 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3iq6 h THR 9 CO -0.21 0.26 -0.35 -0.07 0.37 0.00 0.00 175.52 175.52 3iq6 h LEU 10 N 0.00 0.44 -0.19 2.58 4.07 -0.28 -2.74 115.31 119.19 3iq6 h LEU 10 Ca -0.00 -0.65 -0.05 0.00 0.08 0.00 0.00 57.88 57.26 3iq6 h LEU 10 Cb 0.53 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 3iq6 h LEU 10 CO 0.03 1.01 -0.08 -1.13 -1.08 0.00 0.00 178.44 177.20 3iq6 h ASN 11 N -0.11 0.40 0.06 -0.43 -1.24 -0.71 -0.95 115.58 112.60 3iq6 h ASN 11 Ca -0.02 -0.40 0.00 0.00 0.71 0.00 0.00 56.30 56.59 3iq6 h ASN 11 Cb 1.00 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.93 3iq6 h ASN 11 CO 0.07 0.71 -0.11 0.44 -1.29 0.00 0.00 177.43 177.26 3iq6 h ASP 12 N 0.09 -0.32 0.13 1.15 3.32 -0.71 -2.49 116.42 117.59 3iq6 h ASP 12 Ca 0.04 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3iq6 h ASP 12 Cb 0.56 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 3iq6 h ASP 12 CO 0.03 -0.13 -0.02 0.78 -1.72 0.00 0.00 179.24 178.18 3iq6 h ASN 13 N -0.18 0.00 -0.72 6.45 4.21 -1.58 -0.88 115.58 122.88 3iq6 h ASN 13 Ca -0.01 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 3iq6 h ASN 13 Cb 0.17 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.34 3iq6 h ASN 13 CO -0.04 0.02 0.39 0.25 -1.29 0.00 0.00 177.43 176.76 3iq6 h LEU 14 N 0.00 0.90 -0.16 1.61 5.85 -0.74 -2.41 115.31 120.35 3iq6 h LEU 14 Ca -0.00 -0.10 -0.23 0.00 0.84 0.00 0.00 57.88 58.39 3iq6 h LEU 14 Cb 0.09 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3iq6 h LEU 14 CO 0.00 0.74 -0.94 0.11 -0.34 0.00 0.00 178.44 178.02 3iq6 h LYS 15 N 0.99 0.46 -1.14 1.25 1.57 -0.81 -3.03 116.57 115.87 3iq6 h LYS 15 Ca 0.25 -0.49 0.32 0.00 -1.87 0.00 0.00 60.65 58.86 3iq6 h LYS 15 Cb 0.04 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.41 3iq6 h LYS 15 CO -0.04 1.13 0.77 0.28 -0.57 0.00 0.00 179.45 181.02 3iq6 h VAL 16 N 0.27 0.43 0.11 0.50 2.07 -0.83 -0.33 116.25 118.46 3iq6 h VAL 16 Ca -0.08 -0.07 -0.30 0.00 0.82 0.00 0.00 66.70 67.07 3iq6 h VAL 16 Cb 1.57 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3iq6 h VAL 16 CO 0.17 0.04 -1.53 0.40 0.02 0.00 0.00 177.57 176.66 3iq6 h ILE 17 N 0.19 1.15 -0.37 4.57 2.04 -1.41 -3.18 117.51 120.50 3iq6 h ILE 17 Ca 0.60 -2.80 0.03 0.00 1.00 0.00 0.00 64.86 63.69 3iq6 h ILE 17 Cb 1.95 2.75 -0.03 0.00 -0.74 0.00 0.00 36.82 40.74 3iq6 h ILE 17 CO -0.18 0.81 0.18 -0.33 0.00 0.00 0.00 178.15 178.63 3iq6 h GLU 18 N 0.06 0.37 -1.58 2.37 5.08 -0.95 -2.19 114.58 117.74 3iq6 h GLU 18 Ca -0.24 -0.02 -0.72 0.00 -1.00 0.00 0.00 59.36 57.37 3iq6 h GLU 18 Cb 2.01 -0.08 -0.29 0.00 0.50 0.00 0.00 28.75 30.89 3iq6 h GLU 18 CO 0.16 0.24 0.88 1.63 -1.00 0.00 0.00 179.01 180.93 3iq6 n LYS 19 N -4.93 2.77 -3.85 2.33 5.02 -0.93 -4.96 118.16 113.61 3iq6 n LYS 19 Ca 0.01 -3.49 -0.24 0.00 -2.02 0.00 0.00 58.31 52.57 3iq6 n LYS 19 Cb 0.09 -2.28 -0.03 0.00 -0.02 0.00 0.00 35.03 32.79 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 -3.95 3.90 0.00 7.82 0.00 -0.83 -4.97 121.76 123.73 3iq6 s ALA 20 Ca 0.57 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.48 3iq6 s ALA 20 Cb 0.46 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.75 3iq6 s ALA 20 CO -0.25 0.37 0.00 -3.47 0.00 0.00 0.00 175.76 172.41 3iq6 n ASP 21 N -0.97 0.77 -1.69 0.00 2.03 -1.26 -5.05 116.55 110.37 3iq6 n ASP 21 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 3iq6 n ASP 21 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 3iq6 n ASP 21 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3iq6 n ASN 22 N -2.84 0.00 -0.18 1.67 2.04 -1.26 -5.04 115.26 109.65 3iq6 n ASN 22 Ca 0.00 -0.20 0.05 0.00 -0.44 0.00 0.00 54.58 53.99 3iq6 n ASN 22 Cb 0.45 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.69 3iq6 n ASN 22 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3iq6 n ALA 23 N -3.00 2.93 -0.03 -2.53 0.00 -1.26 -4.45 120.51 112.17 3iq6 n ALA 23 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 53.44 52.97 3iq6 n ALA 23 Cb 0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 19.45 18.96 3iq6 n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iq6 n ALA 24 N -0.45 1.64 0.07 0.00 0.00 -1.26 -3.06 120.51 117.46 3iq6 n ALA 24 Ca 0.04 -0.89 -0.00 0.00 0.00 0.00 0.00 53.44 52.59 3iq6 n ALA 24 Cb 0.20 -0.66 0.29 0.00 0.00 0.00 0.00 19.45 19.28 3iq6 n ALA 24 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3iq6 h GLN 25 N 0.00 0.34 -0.01 0.00 4.15 -1.99 -2.27 115.11 115.33 3iq6 h GLN 25 Ca -0.33 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 58.93 3iq6 h GLN 25 Cb 1.96 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.62 3iq6 h GLN 25 CO 0.05 0.54 -0.20 0.28 -1.93 0.00 0.00 178.83 177.57 3iq6 h VAL 26 N 0.31 1.55 -0.60 2.39 2.07 -1.78 -2.99 116.25 117.20 3iq6 h VAL 26 Ca 0.05 -1.88 0.08 0.00 0.82 0.00 0.00 66.70 65.77 3iq6 h VAL 26 Cb 0.55 2.73 -0.06 0.00 -1.52 0.00 0.00 31.29 32.98 3iq6 h VAL 26 CO 0.04 0.51 0.26 0.11 0.02 0.00 0.00 177.57 178.51 3iq6 h LYS 27 N -0.52 0.47 -0.26 1.57 1.57 -1.45 -0.19 116.57 117.75 3iq6 h LYS 27 Ca -0.02 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 3iq6 h LYS 27 Cb 0.94 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 3iq6 h LYS 27 CO 0.04 0.31 -0.34 0.22 -0.57 0.00 0.00 179.45 179.11 3iq6 h ASP 28 N 0.48 0.58 -0.40 0.86 -0.00 -1.52 -1.24 116.42 115.18 3iq6 h ASP 28 Ca 0.29 -0.23 -0.14 0.00 -0.00 0.00 0.00 57.03 56.95 3iq6 h ASP 28 Cb 0.30 -0.16 -0.01 0.00 -0.00 0.00 0.00 39.33 39.46 3iq6 h ASP 28 CO -0.25 0.88 -0.29 0.00 -0.00 0.00 0.00 179.24 179.57 3iq6 h ALA 29 N 1.16 0.57 -0.53 -0.78 0.00 -1.25 -2.58 119.26 115.85 3iq6 h ALA 29 Ca 0.05 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3iq6 h ALA 29 Cb 0.81 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3iq6 h ALA 29 CO 0.07 0.61 -0.04 -0.07 0.00 0.00 0.00 179.25 179.81 3iq6 h LEU 30 N 0.72 0.93 -0.74 0.00 3.38 -0.92 -1.85 115.31 116.84 3iq6 h LEU 30 Ca 0.08 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3iq6 h LEU 30 Cb 0.87 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3iq6 h LEU 30 CO 0.08 1.01 0.48 0.74 0.09 0.00 0.00 178.44 180.84 3iq6 h THR 31 N 0.86 1.16 -0.24 0.22 2.02 -1.12 -1.34 112.91 114.46 3iq6 h THR 31 Ca 0.15 -0.33 -0.13 0.00 0.77 0.00 0.00 66.41 66.87 3iq6 h THR 31 Cb 0.57 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3iq6 h THR 31 CO 0.03 0.18 -0.35 0.11 0.37 0.00 0.00 175.52 175.86 3iq6 h LYS 32 N 0.97 0.67 -0.70 6.66 1.57 -1.28 -2.41 116.57 122.04 3iq6 h LYS 32 Ca 0.28 -0.39 0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3iq6 h LYS 32 Cb -0.07 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 3iq6 h LYS 32 CO -0.08 1.01 0.38 0.52 -0.57 0.00 0.00 179.45 180.71 3iq6 h MET 33 N 0.38 0.66 -0.19 3.15 2.86 -1.08 0.21 114.93 120.93 3iq6 h MET 33 Ca 0.03 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 3iq6 h MET 33 Cb 0.94 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.40 3iq6 h MET 33 CO 0.08 0.44 -0.09 0.00 1.06 0.00 0.00 176.91 178.40 3iq6 h ALA 34 N 1.38 0.07 -0.38 6.32 0.00 -1.16 0.17 119.26 125.66 3iq6 h ALA 34 Ca 0.32 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.38 3iq6 h ALA 34 Cb 0.25 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3iq6 h ALA 34 CO -0.21 -0.52 0.02 0.00 0.00 0.00 0.00 179.25 178.53 3iq6 h ALA 35 N 1.09 0.36 -0.45 0.00 0.00 -0.64 0.24 119.26 119.86 3iq6 h ALA 35 Ca 0.11 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3iq6 h ALA 35 Cb 0.23 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3iq6 h ALA 35 CO -0.24 -0.38 0.05 0.00 0.00 0.00 0.00 179.25 178.68 3iq6 h ALA 36 N 1.32 1.24 -0.36 0.00 0.00 -0.41 -0.14 119.26 120.92 3iq6 h ALA 36 Ca 0.19 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3iq6 h ALA 36 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3iq6 h ALA 36 CO -0.30 0.51 -0.26 0.00 0.00 0.00 0.00 179.25 179.20 3iq6 h ALA 37 N 1.38 0.51 0.70 0.00 0.00 0.21 -2.25 119.26 119.80 3iq6 h ALA 37 Ca 0.14 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3iq6 h ALA 37 Cb 0.35 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3iq6 h ALA 37 CO 0.01 0.52 -0.34 0.00 0.00 0.00 0.00 179.25 179.44 3iq6 h ALA 38 N 0.77 -0.94 0.00 0.00 0.00 -0.19 -2.69 119.26 116.21 3iq6 h ALA 38 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3iq6 h ALA 38 Cb 0.83 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3iq6 h ALA 38 CO 0.07 -1.01 0.00 -3.47 0.00 0.00 0.00 179.25 174.84 3iq6 n ASP 39 N -5.48 0.00 -0.01 0.00 2.03 -0.10 -1.94 116.55 111.06 3iq6 n ASP 39 Ca -0.14 0.04 0.10 0.00 0.52 0.00 0.00 54.79 55.31 3iq6 n ASP 39 Cb 0.38 -0.21 -0.13 0.00 -0.72 0.00 0.00 41.12 40.44 3iq6 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iq6 n ALA 40 N -1.21 3.46 -0.31 -1.67 0.00 -0.85 -4.59 120.51 115.34 3iq6 n ALA 40 Ca 0.05 -0.50 0.17 0.00 0.00 0.00 0.00 53.44 53.16 3iq6 n ALA 40 Cb 0.06 -0.68 0.35 0.00 0.00 0.00 0.00 19.45 19.18 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 0.57 -0.01 0.00 7.01 -1.12 -1.94 115.95 120.46 3iq6 h TRP 41 Ca 0.00 0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.05 3iq6 h TRP 41 Cb 0.72 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.68 3iq6 h TRP 41 CO 0.00 -0.19 -0.06 -1.13 -2.79 0.00 0.00 178.44 174.27 3iq6 n SER 42 N -5.15 1.22 -4.77 2.65 3.41 -1.26 -4.85 113.62 104.87 3iq6 n SER 42 Ca 0.25 -1.28 -0.34 0.00 -0.26 0.00 0.00 58.87 57.25 3iq6 n SER 42 Cb 0.78 0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.79 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 -2.13 2.55 -0.36 7.33 0.00 -0.73 -5.03 121.76 123.39 3iq6 s ALA 43 Ca 0.35 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.93 3iq6 s ALA 43 Cb 0.21 -3.32 0.10 0.00 0.00 0.00 0.00 23.12 20.10 3iq6 s ALA 43 CO 0.38 -1.10 0.11 0.99 0.00 0.00 0.00 175.76 176.14 3iq6 s THR 44 N -2.19 2.83 0.55 0.00 2.01 -1.26 -5.03 115.64 112.56 3iq6 s THR 44 Ca 0.68 -2.05 -0.21 0.00 0.31 0.00 0.00 61.69 60.42 3iq6 s THR 44 Cb -0.21 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 3iq6 s THR 44 CO 0.37 -0.55 1.35 -2.16 -0.69 0.00 0.00 174.62 172.94 3iq6 s PRO 45 N 1.07 3.09 0.32 4.92 0.04 -1.26 -4.78 135.00 138.40 3iq6 s PRO 45 Ca 0.07 2.20 0.08 0.00 0.04 0.00 0.00 61.00 63.39 3iq6 s PRO 45 Cb -0.21 -2.21 0.93 0.00 0.04 0.00 0.00 34.50 33.05 3iq6 s PRO 45 CO -0.05 -1.22 1.62 -1.35 0.04 0.00 0.00 177.00 176.04 3iq6 h PRO 46 N 1.37 0.13 0.00 0.56 0.11 -1.99 0.23 132.00 132.41 3iq6 h PRO 46 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3iq6 h PRO 46 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3iq6 h PRO 46 CO 0.57 0.09 0.00 1.63 -0.21 0.00 0.00 178.00 180.08 3iq6 n LYS 47 N -5.27 0.16 -0.18 1.05 4.76 -1.26 -2.79 118.16 114.62 3iq6 n LYS 47 Ca 0.27 0.48 0.08 0.00 -2.87 0.00 0.00 58.31 56.28 3iq6 n LYS 47 Cb 0.89 -1.86 0.12 0.00 -1.84 0.00 0.00 35.03 32.34 3iq6 n LYS 47 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3iq6 n LEU 48 N -2.16 1.99 0.26 -0.35 4.77 0.78 -4.77 117.00 117.51 3iq6 n LEU 48 Ca 0.01 -2.80 0.10 0.00 -0.03 0.00 0.00 56.01 53.29 3iq6 n LEU 48 Cb 0.15 -0.36 0.70 0.00 -2.33 0.00 0.00 43.42 41.58 3iq6 n LEU 48 CO 0.15 0.68 1.09 -0.33 -1.33 0.00 0.00 177.39 177.65 3iq6 h GLU 49 N 0.07 0.00 -0.71 3.23 5.08 -1.34 0.15 114.58 121.06 3iq6 h GLU 49 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3iq6 h GLU 49 Cb 1.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 3iq6 h GLU 49 CO 0.00 0.00 0.08 -0.40 -1.00 0.00 0.00 179.01 177.69 3iq6 n ASP 50 N -4.38 4.71 -4.60 1.42 3.85 -1.26 -4.90 116.55 111.38 3iq6 n ASP 50 Ca -0.02 -2.85 -0.32 0.00 -0.71 0.00 0.00 54.79 50.89 3iq6 n ASP 50 Cb 0.11 -0.67 -0.10 0.00 -1.35 0.00 0.00 41.12 39.11 3iq6 n ASP 50 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3iq6 s LYS 51 N -2.49 2.50 0.27 0.11 -0.14 0.04 -5.10 119.74 114.93 3iq6 s LYS 51 Ca 0.45 -0.77 -0.29 0.00 -1.36 0.00 0.00 55.97 53.99 3iq6 s LYS 51 Cb 0.35 -2.48 -0.09 0.00 -1.68 0.00 0.00 37.83 33.92 3iq6 s LYS 51 CO 0.12 0.58 1.20 0.45 -0.76 0.00 0.00 175.35 176.95 3iq6 s SER 52 N -1.63 7.04 0.10 2.83 0.15 -1.26 -4.86 113.70 116.07 3iq6 s SER 52 Ca 0.19 2.40 0.05 0.00 0.70 0.00 0.00 55.95 59.29 3iq6 s SER 52 Cb -0.11 -2.63 0.28 0.00 -1.71 0.00 0.00 66.02 61.85 3iq6 s SER 52 CO 0.10 -0.35 1.05 -2.65 1.20 0.00 0.00 173.24 172.59 3iq6 n PRO 53 N 1.49 0.03 -0.08 5.44 -0.02 -1.26 0.11 135.00 140.73 3iq6 n PRO 53 Ca 0.01 0.44 0.03 0.00 -2.02 0.00 0.00 63.50 61.96 3iq6 n PRO 53 Cb 0.44 -1.76 0.07 0.00 -0.02 0.00 0.00 33.50 32.23 3iq6 n PRO 53 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3iq6 n ASP 54 N -1.62 2.32 -4.64 2.55 -0.08 -1.26 -4.59 116.55 109.23 3iq6 n ASP 54 Ca -0.00 -1.88 -0.29 0.00 -1.51 0.00 0.00 54.79 51.11 3iq6 n ASP 54 Cb 0.15 -0.10 0.18 0.00 2.34 0.00 0.00 41.12 43.70 3iq6 n ASP 54 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3iq6 s SER 55 N -0.92 2.50 0.46 1.67 1.04 0.12 -4.80 113.70 113.77 3iq6 s SER 55 Ca 0.11 1.50 0.19 0.00 0.48 0.00 0.00 55.95 58.23 3iq6 s SER 55 Cb 0.06 -2.18 1.11 0.00 0.10 0.00 0.00 66.02 65.11 3iq6 s SER 55 CO 0.08 -3.25 1.99 1.55 0.98 0.00 0.00 173.24 174.59 3iq6 h PRO 56 N -1.97 0.00 -0.53 4.02 0.13 -1.96 -2.53 132.00 129.16 3iq6 h PRO 56 Ca -0.53 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.49 3iq6 h PRO 56 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 3iq6 h PRO 56 CO 0.53 0.19 -0.09 0.93 -0.23 0.00 0.00 178.00 179.33 3iq6 h GLU 57 N 0.00 0.97 0.00 0.86 3.07 -1.91 -1.40 114.58 116.17 3iq6 h GLU 57 Ca -0.00 -0.34 -0.15 0.00 -0.50 0.00 0.00 59.36 58.37 3iq6 h GLU 57 Cb 0.39 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 3iq6 h GLU 57 CO 0.03 1.01 -0.71 0.52 -1.40 0.00 0.00 179.01 178.45 3iq6 h MET 58 N 0.87 0.00 -0.23 2.33 2.86 -1.76 0.73 114.93 119.73 3iq6 h MET 58 Ca 0.14 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.72 3iq6 h MET 58 Cb 0.63 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 3iq6 h MET 58 CO 0.04 0.71 -0.08 0.45 1.06 0.00 0.00 176.91 179.09 3iq6 h HIS 59 N 0.00 0.53 -0.25 -0.22 3.86 -1.29 -0.98 115.15 116.81 3iq6 h HIS 59 Ca -0.01 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.05 3iq6 h HIS 59 Cb 1.40 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.73 3iq6 h HIS 59 CO 0.00 0.72 0.02 0.22 0.86 0.00 0.00 177.93 179.75 3iq6 h ASP 60 N 0.20 0.41 -0.19 2.45 3.58 -1.23 0.79 116.42 122.43 3iq6 h ASP 60 Ca 0.06 -0.29 0.05 0.00 0.42 0.00 0.00 57.03 57.27 3iq6 h ASP 60 Cb 0.56 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.44 3iq6 h ASP 60 CO 0.03 0.59 -0.16 0.15 -2.88 0.00 0.00 179.24 176.97 3iq6 h PHE 61 N 0.22 -0.40 0.00 0.28 3.57 -0.80 0.42 116.94 120.22 3iq6 h PHE 61 Ca 0.07 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3iq6 h PHE 61 Cb 0.37 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3iq6 h PHE 61 CO 0.03 -0.23 -0.20 0.00 -2.23 0.00 0.00 178.31 175.67 3iq6 h ARG 62 N -0.17 0.00 -0.31 1.11 3.08 -1.07 -2.23 114.38 114.79 3iq6 h ARG 62 Ca 0.12 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 3iq6 h ARG 62 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3iq6 h ARG 62 CO -0.30 0.20 -0.24 1.25 -1.07 0.00 0.00 179.97 179.82 3iq6 h HIS 63 N 0.00 0.67 -0.96 3.04 2.76 0.12 -2.40 115.15 118.38 3iq6 h HIS 63 Ca -0.00 -0.15 0.10 0.00 -2.20 0.00 0.00 60.37 58.12 3iq6 h HIS 63 Cb 0.54 -0.16 -0.08 0.00 1.55 0.00 0.00 27.41 29.26 3iq6 h HIS 63 CO 0.00 0.78 0.60 0.78 -1.30 0.00 0.00 177.93 178.79 3iq6 h GLY 64 N 1.00 1.52 1.63 5.26 0.00 -0.50 -0.71 103.07 111.27 3iq6 h GLY 64 Ca 0.07 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 46.83 3iq6 h GLY 64 CO 0.05 0.21 -0.60 0.74 0.00 0.00 0.00 176.54 176.94 3iq6 h PHE 65 N 1.01 0.49 0.08 5.60 0.05 -1.49 -1.57 116.94 121.10 3iq6 h PHE 65 Ca 0.45 -0.19 0.02 0.00 3.82 0.00 0.00 57.97 62.08 3iq6 h PHE 65 Cb 0.35 -0.09 -0.03 0.00 2.00 0.00 0.00 35.95 38.18 3iq6 h PHE 65 CO -0.02 0.89 -0.24 -1.49 -0.18 0.00 0.00 178.31 177.27 3iq6 h TRP 66 N 0.29 -0.64 -0.17 -0.55 -0.00 -0.68 0.15 115.95 114.34 3iq6 h TRP 66 Ca -0.01 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 58.92 3iq6 h TRP 66 Cb 1.13 0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 30.54 3iq6 h TRP 66 CO 0.03 -0.34 0.02 0.82 -0.00 0.00 0.00 178.44 178.98 3iq6 h ILE 67 N -0.42 0.91 -0.35 1.49 1.08 -1.21 -0.47 117.51 118.54 3iq6 h ILE 67 Ca 0.04 -0.03 0.01 0.00 -0.39 0.00 0.00 64.86 64.49 3iq6 h ILE 67 Cb 0.46 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 3iq6 h ILE 67 CO -0.16 0.02 0.22 0.25 -0.69 0.00 0.00 178.15 177.78 3iq6 h LEU 68 N 0.08 0.37 -0.04 1.44 5.85 -1.04 0.15 115.31 122.13 3iq6 h LEU 68 Ca 0.08 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3iq6 h LEU 68 Cb 0.08 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3iq6 h LEU 68 CO -0.12 0.27 -0.03 0.40 -0.34 0.00 0.00 178.44 178.62 3iq6 h ILE 69 N 0.45 0.90 -0.68 4.05 2.04 -0.53 0.43 117.51 124.17 3iq6 h ILE 69 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3iq6 h ILE 69 Cb -0.04 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3iq6 h ILE 69 CO -0.04 0.00 0.43 1.23 0.00 0.00 0.00 178.15 179.77 3iq6 h GLY 70 N -0.05 0.97 1.41 5.37 0.00 -0.80 -0.97 103.07 109.00 3iq6 h GLY 70 Ca 0.03 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 3iq6 h GLY 70 CO -0.06 0.37 -0.42 1.46 0.00 0.00 0.00 176.54 177.89 3iq6 h GLN 71 N 0.93 0.65 -0.54 4.80 4.20 0.07 -2.34 115.11 122.87 3iq6 h GLN 71 Ca 0.25 -0.34 -0.10 0.00 0.06 0.00 0.00 58.65 58.52 3iq6 h GLN 71 Cb -0.07 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3iq6 h GLN 71 CO -0.05 0.95 -0.05 0.82 -0.67 0.00 0.00 178.83 179.82 3iq6 h ILE 72 N 0.53 1.27 -0.66 2.54 2.04 -0.51 -1.76 117.51 120.96 3iq6 h ILE 72 Ca 0.04 -1.19 0.09 0.00 1.00 0.00 0.00 64.86 64.80 3iq6 h ILE 72 Cb 0.94 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.90 3iq6 h ILE 72 CO 0.09 0.42 0.30 -0.74 0.00 0.00 0.00 178.15 178.21 3iq6 h HIS 73 N 0.86 0.53 -0.32 1.37 2.76 -1.01 0.16 115.15 119.50 3iq6 h HIS 73 Ca 0.15 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.18 3iq6 h HIS 73 Cb 0.61 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.42 3iq6 h HIS 73 CO 0.04 0.18 -0.44 0.22 -1.30 0.00 0.00 177.93 176.64 3iq6 h ASP 74 N 0.52 0.95 -0.51 3.26 3.58 -1.14 -2.55 116.42 120.52 3iq6 h ASP 74 Ca 0.32 -0.50 0.06 0.00 0.42 0.00 0.00 57.03 57.34 3iq6 h ASP 74 Cb 0.35 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.08 3iq6 h ASP 74 CO -0.27 1.26 0.21 0.00 -2.88 0.00 0.00 179.24 177.56 3iq6 h ALA 75 N 0.72 0.64 0.10 -0.78 0.00 -0.54 -1.97 119.26 117.42 3iq6 h ALA 75 Ca 0.04 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3iq6 h ALA 75 Cb 1.04 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3iq6 h ALA 75 CO 0.10 -0.17 -0.24 1.25 0.00 0.00 0.00 179.25 180.20 3iq6 h LEU 76 N 0.41 -0.67 -0.43 0.00 6.46 -0.56 -1.47 115.31 119.05 3iq6 h LEU 76 Ca 0.24 0.08 0.09 0.00 -0.12 0.00 0.00 57.88 58.16 3iq6 h LEU 76 Cb 0.22 0.26 -0.09 0.00 -0.73 0.00 0.00 40.66 40.31 3iq6 h LEU 76 CO -0.21 -0.32 -0.29 0.45 -0.62 0.00 0.00 178.44 177.45 3iq6 h HIS 77 N -0.42 -0.78 -0.44 1.25 3.86 -0.99 0.16 115.15 117.80 3iq6 h HIS 77 Ca 0.03 0.06 0.09 0.00 -1.16 0.00 0.00 60.37 59.39 3iq6 h HIS 77 Cb 0.46 0.41 -0.09 0.00 1.06 0.00 0.00 27.41 29.25 3iq6 h HIS 77 CO -0.23 -0.35 -0.12 -0.07 0.86 0.00 0.00 177.93 178.01 3iq6 h LEU 78 N -0.20 -0.45 -0.29 2.43 3.38 -0.89 -0.81 115.31 118.48 3iq6 h LEU 78 Ca 0.19 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.36 3iq6 h LEU 78 Cb 0.51 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 3iq6 h LEU 78 CO -0.55 -0.16 -0.04 0.00 0.09 0.00 0.00 178.44 177.78 3iq6 h ALA 79 N 1.40 0.22 -0.85 1.53 0.00 0.07 0.20 119.26 121.83 3iq6 h ALA 79 Ca 0.21 0.10 0.22 0.00 0.00 0.00 0.00 54.91 55.44 3iq6 h ALA 79 Cb 0.34 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3iq6 h ALA 79 CO -0.46 -0.44 0.59 -0.91 0.00 0.00 0.00 179.25 178.02 3iq6 h ASN 80 N 0.03 0.19 -0.04 0.00 -0.26 0.60 0.99 115.58 117.09 3iq6 h ASN 80 Ca 0.14 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 3iq6 h ASN 80 Cb 0.20 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 3iq6 h ASN 80 CO -0.27 0.08 0.00 -0.62 -1.06 0.00 0.00 177.43 175.56 3iq6 n GLU 81 N -4.40 1.28 -0.45 0.81 1.02 0.01 -4.88 120.64 114.03 3iq6 n GLU 81 Ca 0.18 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 3iq6 n GLU 81 Cb 0.79 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 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 0.99 2.00 2.65 0.62 0.00 0.34 -4.88 105.19 106.91 3iq6 n GLY 82 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 1.23 -0.19 1.61 5.02 -0.92 -4.63 118.16 118.28 3iq6 n LYS 83 Ca 0.00 -0.96 -0.06 0.00 -2.02 0.00 0.00 58.31 55.26 3iq6 n LYS 83 Cb 0.00 -2.16 -0.01 0.00 -0.02 0.00 0.00 35.03 32.84 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 3.41 0.15 0.06 -0.18 2.07 -1.84 -0.30 116.25 119.62 3iq6 h VAL 84 Ca 0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 3iq6 h VAL 84 Cb 0.20 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 3iq6 h VAL 84 CO 1.10 0.00 -0.21 0.11 0.02 0.00 0.00 177.57 178.59 3iq6 h LYS 85 N -0.20 -0.29 -0.65 1.57 1.79 -1.96 -2.25 116.57 114.58 3iq6 h LYS 85 Ca 0.21 0.02 0.16 0.00 -2.18 0.00 0.00 60.65 58.86 3iq6 h LYS 85 Cb 0.56 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.24 3iq6 h LYS 85 CO -0.67 -0.20 0.45 1.05 -1.08 0.00 0.00 179.45 179.01 3iq6 h GLU 86 N -0.31 0.17 -0.82 3.15 9.09 -1.87 0.28 114.58 124.26 3iq6 h GLU 86 Ca -0.00 -0.01 -0.02 0.00 0.05 0.00 0.00 59.36 59.38 3iq6 h GLU 86 Cb 0.30 -0.04 -0.04 0.00 -1.65 0.00 0.00 28.75 27.33 3iq6 h GLU 86 CO -0.11 0.11 0.45 0.00 0.05 0.00 0.00 179.01 179.51 3iq6 h ALA 87 N 1.68 1.06 -0.13 1.06 0.00 -0.68 0.92 119.26 123.17 3iq6 h ALA 87 Ca 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3iq6 h ALA 87 Cb 1.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3iq6 h ALA 87 CO -0.05 0.57 0.04 1.96 0.00 0.00 0.00 179.25 181.77 3iq6 h GLN 88 N 1.15 0.20 -0.45 0.00 4.20 0.08 -1.14 115.11 119.15 3iq6 h GLN 88 Ca 0.29 -0.05 0.11 0.00 0.06 0.00 0.00 58.65 59.06 3iq6 h GLN 88 Cb 0.04 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3iq6 h GLN 88 CO -0.05 0.35 0.31 0.00 -0.67 0.00 0.00 178.83 178.78 3iq6 h ALA 89 N 0.84 2.25 -0.41 3.87 0.00 -0.73 0.21 119.26 125.30 3iq6 h ALA 89 Ca 0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3iq6 h ALA 89 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3iq6 h ALA 89 CO -0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 179.25 178.65 3iq6 h ALA 90 N 1.77 0.58 -0.29 0.00 0.00 -0.01 -3.08 119.26 118.22 3iq6 h ALA 90 Ca 0.21 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3iq6 h ALA 90 Cb 0.67 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3iq6 h ALA 90 CO -0.03 0.57 0.19 0.00 0.00 0.00 0.00 179.25 179.99 3iq6 h ALA 91 N 0.81 0.37 -0.40 0.00 0.00 0.22 -2.05 119.26 118.22 3iq6 h ALA 91 Ca 0.09 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.09 3iq6 h ALA 91 Cb 0.80 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3iq6 h ALA 91 CO 0.07 -0.16 0.35 0.93 0.00 0.00 0.00 179.25 180.45 3iq6 h GLU 92 N 0.40 0.00 0.00 0.00 4.39 -1.32 -1.22 114.58 116.82 3iq6 h GLU 92 Ca 0.11 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.73 3iq6 h GLU 92 Cb -0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3iq6 h GLU 92 CO -0.02 0.00 -0.77 1.96 -1.16 0.00 0.00 179.01 179.01 3iq6 h GLN 93 N 0.00 0.00 0.00 2.33 4.20 -1.29 -3.12 115.11 117.23 3iq6 h GLN 93 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3iq6 h GLN 93 Cb 0.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.67 3iq6 h GLN 93 CO -0.00 0.24 0.00 1.47 -0.67 0.00 0.00 178.83 179.87 3iq6 n LEU 94 N -2.99 0.00 0.18 1.46 -0.00 -0.46 -0.89 117.00 114.30 3iq6 n LEU 94 Ca -0.01 0.19 0.07 0.00 -0.00 0.00 0.00 56.01 56.25 3iq6 n LEU 94 Cb 0.69 -0.19 0.25 0.00 -0.00 0.00 0.00 43.42 44.17 3iq6 n LEU 94 CO 0.40 -0.04 0.66 0.11 -0.00 0.00 0.00 177.39 178.51 3iq6 h LYS 95 N 0.00 0.00 -0.76 1.47 1.57 -1.54 -0.44 116.57 116.88 3iq6 h LYS 95 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3iq6 h LYS 95 Cb 0.14 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3iq6 h LYS 95 CO 0.00 0.34 0.41 0.00 -0.57 0.00 0.00 179.45 179.62 3iq6 h THR 97 N 1.06 1.29 0.21 0.00 2.02 -1.30 -2.86 112.91 113.33 3iq6 h THR 97 Ca 0.27 -2.16 -0.00 0.00 0.77 0.00 0.00 66.41 65.29 3iq6 h THR 97 Cb 0.04 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 3iq6 h THR 97 CO -0.04 0.67 -0.18 0.00 0.37 0.00 0.00 175.52 176.34 3iq6 h ASN 99 N -0.40 0.20 -0.71 0.00 -0.26 -1.49 -2.36 115.58 110.56 3iq6 h ASN 99 Ca -0.01 0.04 0.10 0.00 -0.56 0.00 0.00 56.30 55.87 3iq6 h ASN 99 Cb 0.36 0.01 -0.08 0.00 -1.06 0.00 0.00 38.32 37.56 3iq6 h ASN 99 CO -0.02 0.15 0.33 0.00 -1.06 0.00 0.00 177.43 176.84 3iq6 h ALA 100 N 1.25 0.98 0.11 -0.83 0.00 -1.47 -0.25 119.26 119.05 3iq6 h ALA 100 Ca 0.19 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3iq6 h ALA 100 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3iq6 h ALA 100 CO -0.17 -0.09 -0.05 0.00 0.00 0.00 0.00 179.25 178.94 3iq6 h HIS 102 N -0.56 -0.01 0.00 0.00 -0.00 -1.07 0.38 115.15 113.90 3iq6 h HIS 102 Ca -0.02 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3iq6 h HIS 102 Cb 0.45 0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.93 3iq6 h HIS 102 CO 0.05 -0.10 0.00 0.37 -0.00 0.00 0.00 177.93 178.26 3iq6 h GLN 103 N 0.13 0.00 0.00 2.45 4.15 -1.13 -0.91 115.11 119.80 3iq6 h GLN 103 Ca 0.25 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.35 3iq6 h GLN 103 Cb 0.36 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.00 3iq6 h GLN 103 CO -0.40 0.00 -2.18 1.17 -1.93 0.00 0.00 178.83 175.49 3iq6 n LYS 104 N -3.07 1.02 0.00 1.69 4.81 0.02 -4.79 118.16 117.84 3iq6 n LYS 104 Ca -0.02 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 3iq6 n LYS 104 Cb 0.15 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 33.76 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 -2.78 0.00 1.56 5.64 4.02 0.11 -5.11 117.16 120.60 3iq6 n TYR 105 Ca -0.31 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.72 3iq6 n TYR 105 Cb 1.01 0.00 0.58 0.00 -0.02 0.00 0.00 39.34 40.91 3iq6 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72