#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iq5 s ASP 2 N 0.00 3.41 0.13 0.00 2.15 -1.26 -4.77 116.67 116.33 3iq5 s ASP 2 Ca 0.00 1.93 -0.27 0.00 0.43 0.00 0.00 52.55 54.65 3iq5 s ASP 2 Cb 0.00 -2.49 -0.04 0.00 -0.30 0.00 0.00 42.92 40.09 3iq5 s ASP 2 CO 0.00 -2.75 1.61 -0.07 -0.17 0.00 0.00 175.17 173.79 3iq5 h LEU 3 N -1.63 -0.99 -1.32 -1.34 3.38 -1.96 -1.17 115.31 110.28 3iq5 h LEU 3 Ca -0.45 0.14 0.14 0.00 0.09 0.00 0.00 57.88 57.79 3iq5 h LEU 3 Cb 1.26 0.41 -0.07 0.00 0.09 0.00 0.00 40.66 42.35 3iq5 h LEU 3 CO 0.47 -0.38 0.56 -0.33 0.09 0.00 0.00 178.44 178.85 3iq5 h GLU 4 N -0.44 0.65 -0.26 1.13 5.08 -1.97 1.24 114.58 120.02 3iq5 h GLU 4 Ca 0.08 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3iq5 h GLU 4 Cb 0.56 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3iq5 h GLU 4 CO -0.31 0.43 -0.08 -0.44 -1.00 0.00 0.00 179.01 177.61 3iq5 h ASP 5 N 0.67 0.51 -0.13 1.42 3.32 -1.73 0.73 116.42 121.21 3iq5 h ASP 5 Ca 0.43 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3iq5 h ASP 5 Cb 0.70 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3iq5 h ASP 5 CO -0.19 0.78 0.03 0.78 -1.72 0.00 0.00 179.24 178.92 3iq5 h ASN 6 N 0.25 0.20 -0.80 6.45 2.35 0.04 -1.04 115.58 123.02 3iq5 h ASN 6 Ca 0.06 -0.24 0.12 0.00 -0.55 0.00 0.00 56.30 55.69 3iq5 h ASN 6 Cb 0.56 -0.05 -0.08 0.00 0.05 0.00 0.00 38.32 38.79 3iq5 h ASN 6 CO 0.03 0.39 0.42 0.24 -1.65 0.00 0.00 177.43 176.86 3iq5 h MET 7 N 0.01 0.64 -0.54 0.81 2.86 0.17 0.16 114.93 119.04 3iq5 h MET 7 Ca 0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3iq5 h MET 7 Cb 0.27 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 3iq5 h MET 7 CO 0.00 0.42 0.35 1.49 1.06 0.00 0.00 176.91 180.24 3iq5 h GLU 8 N 0.66 0.72 -0.28 1.72 4.81 0.83 -0.50 114.58 122.53 3iq5 h GLU 8 Ca 0.41 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 3iq5 h GLU 8 Cb 0.50 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3iq5 h GLU 8 CO -0.31 0.49 0.13 1.15 -0.73 0.00 0.00 179.01 179.73 3iq5 h THR 9 N 0.74 1.16 0.13 0.32 2.02 0.37 -1.13 112.91 116.52 3iq5 h THR 9 Ca 0.20 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.91 3iq5 h THR 9 Cb -0.07 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3iq5 h THR 9 CO -0.04 0.17 -0.17 -0.07 0.37 0.00 0.00 175.52 175.78 3iq5 h LEU 10 N 0.32 -0.46 -1.87 2.58 -0.00 -0.55 -1.76 115.31 113.57 3iq5 h LEU 10 Ca 0.10 0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 58.02 3iq5 h LEU 10 Cb 0.15 0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 3iq5 h LEU 10 CO -0.01 -0.25 0.06 -1.13 -0.00 0.00 0.00 178.44 177.11 3iq5 h ASN 11 N -0.35 0.12 0.09 -0.43 -0.73 -0.93 -2.55 115.58 110.81 3iq5 h ASN 11 Ca 0.01 -0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 3iq5 h ASN 11 Cb 0.35 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.91 3iq5 h ASN 11 CO -0.07 0.10 -0.04 0.44 -0.37 0.00 0.00 177.43 177.49 3iq5 h ASP 12 N 0.14 -0.11 0.00 1.15 3.32 -0.88 -3.29 116.42 116.75 3iq5 h ASP 12 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3iq5 h ASP 12 Cb 0.01 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3iq5 h ASP 12 CO -0.01 0.33 0.32 0.78 -1.72 0.00 0.00 179.24 178.95 3iq5 h ASN 13 N -0.94 0.00 0.32 6.45 4.21 -1.35 1.10 115.58 125.36 3iq5 h ASN 13 Ca -0.01 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.34 3iq5 h ASN 13 Cb 0.10 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 3iq5 h ASN 13 CO 0.02 0.00 -0.63 0.25 -1.29 0.00 0.00 177.43 175.78 3iq5 h LEU 14 N 0.00 0.35 -0.25 1.61 5.85 -1.54 -2.50 115.31 118.82 3iq5 h LEU 14 Ca 0.00 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 3iq5 h LEU 14 Cb 0.64 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3iq5 h LEU 14 CO 0.00 0.89 -0.02 0.11 -0.34 0.00 0.00 178.44 179.08 3iq5 h LYS 15 N 0.22 0.46 0.13 1.25 1.79 0.12 -2.96 116.57 117.58 3iq5 h LYS 15 Ca -0.01 -0.16 0.01 0.00 -2.18 0.00 0.00 60.65 58.31 3iq5 h LYS 15 Cb 1.16 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.74 3iq5 h LYS 15 CO 0.10 0.65 -0.42 0.28 -1.08 0.00 0.00 179.45 178.98 3iq5 h VAL 16 N 0.23 0.00 -0.89 0.50 2.07 -1.31 -2.00 116.25 114.84 3iq5 h VAL 16 Ca 0.07 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.80 3iq5 h VAL 16 Cb 0.46 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.11 3iq5 h VAL 16 CO 0.02 0.00 0.39 0.40 0.02 0.00 0.00 177.57 178.40 3iq5 h ILE 17 N -0.63 0.50 0.00 4.57 2.04 -1.49 0.64 117.51 123.14 3iq5 h ILE 17 Ca -0.01 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 3iq5 h ILE 17 Cb 0.62 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3iq5 h ILE 17 CO -0.21 0.08 -0.19 -0.08 0.00 0.00 0.00 178.15 177.75 3iq5 h GLU 18 N 0.42 0.00 -0.18 2.37 4.81 -1.25 -3.12 114.58 117.63 3iq5 h GLU 18 Ca 0.55 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.78 3iq5 h GLU 18 Cb 1.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3iq5 h GLU 18 CO -0.51 0.19 0.00 1.63 -0.73 0.00 0.00 179.01 179.58 3iq5 n LYS 19 N -3.59 2.12 -1.25 1.92 5.02 0.04 -5.04 118.16 117.38 3iq5 n LYS 19 Ca -0.01 -1.64 -0.25 0.00 -2.02 0.00 0.00 58.31 54.39 3iq5 n LYS 19 Cb 0.32 -1.18 0.20 0.00 -0.02 0.00 0.00 35.03 34.35 3iq5 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iq5 n ALA 20 N 0.29 -2.15 0.00 7.82 0.00 -0.19 -5.03 120.51 121.24 3iq5 n ALA 20 Ca 0.07 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 52.07 3iq5 n ALA 20 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.69 3iq5 n ALA 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3iq5 n ASP 21 N -4.18 0.01 0.00 0.00 10.43 -1.26 -5.07 116.55 116.47 3iq5 n ASP 21 Ca 0.14 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.50 3iq5 n ASP 21 Cb 0.50 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.46 3iq5 n ASP 21 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3iq5 n ASN 22 N -2.49 0.00 0.00 -2.24 2.04 -1.26 -5.02 115.26 106.28 3iq5 n ASN 22 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 3iq5 n ASN 22 Cb 0.03 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.28 3iq5 n ASN 22 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3iq5 n ALA 23 N -3.00 0.46 -0.02 -2.53 0.00 -1.26 -4.81 120.51 109.35 3iq5 n ALA 23 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3iq5 n ALA 23 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3iq5 n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iq5 h ALA 24 N 0.00 0.16 -0.36 0.00 0.00 -1.96 0.81 119.26 117.91 3iq5 h ALA 24 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3iq5 h ALA 24 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3iq5 h ALA 24 CO 0.00 -0.29 0.14 1.96 0.00 0.00 0.00 179.25 181.06 3iq5 h GLN 25 N 0.08 0.50 0.06 0.00 4.20 -1.98 0.39 115.11 118.36 3iq5 h GLN 25 Ca 0.04 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3iq5 h GLN 25 Cb 0.10 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3iq5 h GLN 25 CO -0.01 0.42 -0.03 0.28 -0.67 0.00 0.00 178.83 178.83 3iq5 h VAL 26 N 0.50 1.26 -0.46 -0.54 2.07 -1.76 -1.09 116.25 116.23 3iq5 h VAL 26 Ca 0.13 -1.52 0.04 0.00 0.82 0.00 0.00 66.70 66.16 3iq5 h VAL 26 Cb 0.10 2.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 3iq5 h VAL 26 CO -0.01 0.36 0.31 0.11 0.02 0.00 0.00 177.57 178.35 3iq5 h LYS 27 N -0.81 0.45 0.06 1.57 1.57 0.87 -1.15 116.57 119.14 3iq5 h LYS 27 Ca -0.01 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.49 3iq5 h LYS 27 Cb 0.64 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3iq5 h LYS 27 CO 0.01 0.30 -1.20 0.22 -0.57 0.00 0.00 179.45 178.21 3iq5 h ASP 28 N 0.47 0.20 0.72 0.86 -0.00 -0.28 -2.95 116.42 115.45 3iq5 h ASP 28 Ca 0.19 -0.23 -0.21 0.00 -0.00 0.00 0.00 57.03 56.79 3iq5 h ASP 28 Cb 0.18 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 39.43 3iq5 h ASP 28 CO -0.05 1.18 -0.94 0.00 -0.00 0.00 0.00 179.24 179.43 3iq5 h ALA 29 N 0.79 0.45 -0.28 -0.78 0.00 -0.80 -2.80 119.26 115.84 3iq5 h ALA 29 Ca -0.10 -0.79 -0.16 0.00 0.00 0.00 0.00 54.91 53.86 3iq5 h ALA 29 Cb 1.89 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 3iq5 h ALA 29 CO 0.16 1.01 -0.46 -0.07 0.00 0.00 0.00 179.25 179.89 3iq5 h LEU 30 N 0.06 0.89 -1.34 0.00 3.38 -1.31 -1.83 115.31 115.16 3iq5 h LEU 30 Ca -0.04 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.41 3iq5 h LEU 30 Cb 1.62 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 3iq5 h LEU 30 CO 0.14 1.24 0.38 0.71 0.09 0.00 0.00 178.44 180.99 3iq5 h THR 31 N 0.57 1.17 -0.18 0.22 1.35 -1.53 -0.24 112.91 114.26 3iq5 h THR 31 Ca 0.02 -0.37 -0.14 0.00 -0.55 0.00 0.00 66.41 65.38 3iq5 h THR 31 Cb 1.06 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 3iq5 h THR 31 CO 0.10 0.18 -0.46 0.11 -0.25 0.00 0.00 175.52 175.20 3iq5 h LYS 32 N 0.84 0.46 -0.37 4.72 1.57 -1.34 -2.61 116.57 119.84 3iq5 h LYS 32 Ca 0.22 -0.25 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 3iq5 h LYS 32 Cb -0.04 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3iq5 h LYS 32 CO -0.04 0.83 -0.35 0.52 -0.57 0.00 0.00 179.45 179.84 3iq5 h MET 33 N 0.37 0.86 -0.76 3.15 2.86 -0.35 -2.55 114.93 118.52 3iq5 h MET 33 Ca 0.02 -0.43 0.01 0.00 -2.06 0.00 0.00 59.70 57.24 3iq5 h MET 33 Cb 0.95 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.58 3iq5 h MET 33 CO 0.08 1.07 0.50 0.00 1.06 0.00 0.00 176.91 179.62 3iq5 h ALA 34 N 0.88 0.97 0.43 6.32 0.00 -0.98 0.62 119.26 127.49 3iq5 h ALA 34 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3iq5 h ALA 34 Cb 0.92 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3iq5 h ALA 34 CO 0.08 0.40 -0.21 0.00 0.00 0.00 0.00 179.25 179.53 3iq5 h ALA 35 N 1.27 -0.58 -0.54 0.00 0.00 -1.34 0.41 119.26 118.49 3iq5 h ALA 35 Ca 0.28 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3iq5 h ALA 35 Cb -0.10 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3iq5 h ALA 35 CO -0.06 -0.79 0.28 0.00 0.00 0.00 0.00 179.25 178.68 3iq5 h ALA 36 N -0.09 0.69 -0.60 0.00 0.00 -1.26 0.31 119.26 118.32 3iq5 h ALA 36 Ca -0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3iq5 h ALA 36 Cb 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3iq5 h ALA 36 CO 0.10 -0.05 0.30 0.00 0.00 0.00 0.00 179.25 179.59 3iq5 h ALA 37 N 1.28 0.78 -0.86 0.00 0.00 -0.77 0.42 119.26 120.10 3iq5 h ALA 37 Ca 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3iq5 h ALA 37 Cb 0.12 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3iq5 h ALA 37 CO -0.15 0.33 0.52 0.00 0.00 0.00 0.00 179.25 179.96 3iq5 h ALA 38 N 1.13 1.10 0.07 0.00 0.00 -0.17 0.34 119.26 121.72 3iq5 h ALA 38 Ca 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3iq5 h ALA 38 Cb 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3iq5 h ALA 38 CO -0.03 0.56 -0.03 0.22 0.00 0.00 0.00 179.25 179.97 3iq5 h ASP 39 N 1.19 -0.08 -0.23 0.00 3.58 -0.36 -3.14 116.42 117.38 3iq5 h ASP 39 Ca 0.31 -0.28 0.02 0.00 0.42 0.00 0.00 57.03 57.50 3iq5 h ASP 39 Cb -0.05 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 3iq5 h ASP 39 CO -0.06 0.25 0.16 0.00 -2.88 0.00 0.00 179.24 176.70 3iq5 h ALA 40 N 0.49 1.95 -0.94 -0.78 0.00 0.19 -3.04 119.26 117.14 3iq5 h ALA 40 Ca -0.01 -0.01 0.33 0.00 0.00 0.00 0.00 54.91 55.22 3iq5 h ALA 40 Cb 0.36 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 17.92 3iq5 h ALA 40 CO 0.02 0.01 0.28 1.87 0.00 0.00 0.00 179.25 181.43 3iq5 n TRP 41 N -4.50 0.86 0.79 0.00 -0.00 0.08 -0.09 117.44 114.58 3iq5 n TRP 41 Ca 0.01 1.12 0.11 0.00 -0.00 0.00 0.00 57.50 58.75 3iq5 n TRP 41 Cb 0.15 -1.37 0.28 0.00 -0.00 0.00 0.00 31.31 30.37 3iq5 n TRP 41 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 3iq5 n SER 42 N -5.25 2.65 -4.78 5.87 3.41 -1.15 -4.73 113.62 109.65 3iq5 n SER 42 Ca 0.29 -1.87 -0.30 0.00 -0.26 0.00 0.00 58.87 56.73 3iq5 n SER 42 Cb 0.98 -0.16 0.09 0.00 -0.26 0.00 0.00 64.21 64.87 3iq5 n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iq5 s ALA 43 N -1.69 2.17 -0.14 7.33 0.00 0.86 -5.05 121.76 125.25 3iq5 s ALA 43 Ca 0.35 -0.00 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 3iq5 s ALA 43 Cb 0.20 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 3iq5 s ALA 43 CO 0.30 -1.78 -0.08 0.99 0.00 0.00 0.00 175.76 175.19 3iq5 s THR 44 N -3.02 3.51 0.26 0.00 2.01 -1.26 -5.01 115.64 112.12 3iq5 s THR 44 Ca 0.61 -0.50 -0.16 0.00 0.31 0.00 0.00 61.69 61.96 3iq5 s THR 44 Cb -0.16 -2.51 -0.08 0.00 0.01 0.00 0.00 72.50 69.76 3iq5 s THR 44 CO 0.55 0.51 0.68 -2.16 -0.69 0.00 0.00 174.62 173.52 3iq5 s PRO 45 N 0.33 4.05 0.21 4.92 0.04 -1.26 -4.88 135.00 138.40 3iq5 s PRO 45 Ca -0.07 0.65 -0.18 0.00 0.04 0.00 0.00 61.00 61.44 3iq5 s PRO 45 Cb -0.15 -2.66 0.18 0.00 0.04 0.00 0.00 34.50 31.91 3iq5 s PRO 45 CO 0.04 0.29 1.46 -2.30 0.04 0.00 0.00 177.00 176.53 3iq5 n PRO 46 N 0.14 -0.25 0.22 0.56 -0.02 -1.26 0.39 135.00 134.77 3iq5 n PRO 46 Ca 0.00 1.44 0.15 0.00 -2.02 0.00 0.00 63.50 63.07 3iq5 n PRO 46 Cb 0.52 -2.14 0.75 0.00 -0.02 0.00 0.00 33.50 32.62 3iq5 n PRO 46 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3iq5 h LYS 47 N 0.00 0.00 -0.01 -0.52 1.57 -1.94 -2.38 116.57 113.28 3iq5 h LYS 47 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3iq5 h LYS 47 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3iq5 h LYS 47 CO -0.92 0.00 -0.07 1.28 -0.57 0.00 0.00 179.45 179.16 3iq5 n LEU 48 N -2.55 1.94 0.27 2.94 4.77 0.16 -4.64 117.00 119.88 3iq5 n LEU 48 Ca -0.01 -0.94 0.14 0.00 -0.03 0.00 0.00 56.01 55.17 3iq5 n LEU 48 Cb 0.10 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 41.83 3iq5 n LEU 48 CO 0.16 0.36 1.12 -0.33 -1.33 0.00 0.00 177.39 177.37 3iq5 h GLU 49 N 2.33 0.00 0.00 3.23 5.08 -0.68 0.23 114.58 124.77 3iq5 h GLU 49 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iq5 h GLU 49 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3iq5 h GLU 49 CO 0.00 0.00 -0.99 -0.40 -1.00 0.00 0.00 179.01 176.62 3iq5 n ASP 50 N -2.97 0.64 -4.90 1.42 5.75 -1.26 -4.97 116.55 110.27 3iq5 n ASP 50 Ca 0.01 -0.37 -0.29 0.00 -0.01 0.00 0.00 54.79 54.14 3iq5 n ASP 50 Cb 0.60 0.81 0.05 0.00 -1.03 0.00 0.00 41.12 41.55 3iq5 n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3iq5 s LYS 51 N -3.14 2.76 0.37 0.11 -0.14 0.80 -5.06 119.74 115.44 3iq5 s LYS 51 Ca 0.05 0.27 -0.24 0.00 -1.36 0.00 0.00 55.97 54.69 3iq5 s LYS 51 Cb 0.15 -2.09 -0.10 0.00 -1.68 0.00 0.00 37.83 34.12 3iq5 s LYS 51 CO 0.81 -1.01 0.98 0.45 -0.76 0.00 0.00 175.35 175.81 3iq5 s SER 52 N -4.37 7.06 0.57 2.83 0.15 -1.26 -4.93 113.70 113.74 3iq5 s SER 52 Ca 0.58 1.87 0.34 0.00 0.70 0.00 0.00 55.95 59.44 3iq5 s SER 52 Cb -0.11 -2.57 1.70 0.00 -1.71 0.00 0.00 66.02 63.33 3iq5 s SER 52 CO 0.49 -0.27 2.13 -0.65 1.20 0.00 0.00 173.24 176.14 3iq5 h PRO 53 N 2.66 0.00 -0.66 5.44 0.11 -1.97 -1.00 132.00 136.59 3iq5 h PRO 53 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3iq5 h PRO 53 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3iq5 h PRO 53 CO 0.63 0.05 0.00 -0.25 -0.21 0.00 0.00 178.00 178.22 3iq5 n ASP 54 N -3.31 4.10 -4.83 -2.05 10.43 -1.26 -4.61 116.55 115.01 3iq5 n ASP 54 Ca -0.01 -2.26 -0.32 0.00 2.57 0.00 0.00 54.79 54.77 3iq5 n ASP 54 Cb 0.21 -0.51 -0.03 0.00 1.84 0.00 0.00 41.12 42.63 3iq5 n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3iq5 s SER 55 N -0.91 6.54 0.26 -2.24 1.04 -0.38 -4.92 113.70 113.10 3iq5 s SER 55 Ca 0.46 1.62 -0.02 0.00 0.48 0.00 0.00 55.95 58.49 3iq5 s SER 55 Cb 0.28 -2.52 0.52 0.00 0.10 0.00 0.00 66.02 64.40 3iq5 s SER 55 CO 0.26 -0.64 1.75 -0.65 0.98 0.00 0.00 173.24 174.93 3iq5 h PRO 56 N 0.95 0.54 -0.51 4.02 0.11 -1.93 -1.33 132.00 133.85 3iq5 h PRO 56 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3iq5 h PRO 56 Cb 1.19 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3iq5 h PRO 56 CO 0.61 0.36 0.19 0.93 -0.21 0.00 0.00 178.00 179.88 3iq5 h GLU 57 N 0.55 0.77 0.00 1.05 3.07 -1.93 -0.97 114.58 117.13 3iq5 h GLU 57 Ca 0.45 -0.15 -0.08 0.00 -0.50 0.00 0.00 59.36 59.08 3iq5 h GLU 57 Cb 0.67 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 3iq5 h GLU 57 CO -0.38 0.69 -0.39 0.52 -1.40 0.00 0.00 179.01 178.04 3iq5 h MET 58 N 0.69 0.00 0.33 2.33 2.86 -1.65 -0.27 114.93 119.22 3iq5 h MET 58 Ca 0.17 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 3iq5 h MET 58 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3iq5 h MET 58 CO -0.01 0.39 -0.16 1.25 1.06 0.00 0.00 176.91 179.44 3iq5 h HIS 59 N 0.00 -0.41 -0.91 -0.22 6.17 -0.90 -1.33 115.15 117.55 3iq5 h HIS 59 Ca -0.00 -0.01 0.07 0.00 0.71 0.00 0.00 60.37 61.14 3iq5 h HIS 59 Cb 0.81 0.14 -0.07 0.00 2.52 0.00 0.00 27.41 30.81 3iq5 h HIS 59 CO 0.00 -0.08 0.57 0.22 0.71 0.00 0.00 177.93 179.35 3iq5 h ASP 60 N -0.80 0.89 0.13 3.26 3.58 -1.09 0.11 116.42 122.49 3iq5 h ASP 60 Ca -0.05 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.44 3iq5 h ASP 60 Cb 0.52 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 3iq5 h ASP 60 CO 0.07 0.55 -0.18 0.15 -2.88 0.00 0.00 179.24 176.95 3iq5 h PHE 61 N 1.01 -0.47 -0.78 0.28 3.57 -0.94 -1.58 116.94 118.04 3iq5 h PHE 61 Ca 0.41 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 3iq5 h PHE 61 Cb 0.23 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 3iq5 h PHE 61 CO -0.02 -0.27 0.47 0.00 -2.23 0.00 0.00 178.31 176.26 3iq5 h ARG 62 N -0.36 1.06 -0.83 1.11 -0.00 -0.54 -1.90 114.38 112.92 3iq5 h ARG 62 Ca 0.02 -0.09 0.14 0.00 -0.50 0.00 0.00 59.98 59.54 3iq5 h ARG 62 Cb 0.37 -0.22 -0.09 0.00 0.00 0.00 0.00 29.97 30.02 3iq5 h ARG 62 CO -0.08 0.74 0.43 1.25 0.00 0.00 0.00 179.97 182.31 3iq5 h HIS 63 N 1.08 0.75 -0.71 3.04 2.76 0.02 0.24 115.15 122.32 3iq5 h HIS 63 Ca 0.28 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.54 3iq5 h HIS 63 Cb -0.04 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 28.66 3iq5 h HIS 63 CO 0.00 0.20 0.42 0.78 -1.30 0.00 0.00 177.93 178.03 3iq5 h GLY 64 N 0.63 1.05 1.27 5.26 0.00 -0.48 0.17 103.07 110.97 3iq5 h GLY 64 Ca 0.44 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 47.35 3iq5 h GLY 64 CO -0.35 0.21 -0.23 0.74 0.00 0.00 0.00 176.54 176.91 3iq5 h PHE 65 N 0.79 0.96 -0.72 5.60 -1.00 -0.80 -0.32 116.94 121.45 3iq5 h PHE 65 Ca 0.31 -0.23 -0.03 0.00 2.81 0.00 0.00 57.97 60.83 3iq5 h PHE 65 Cb 0.14 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.44 3iq5 h PHE 65 CO -0.06 0.98 0.32 2.35 -1.61 0.00 0.00 178.31 180.30 3iq5 h TRP 66 N 0.73 1.05 0.01 -0.55 7.01 0.47 -0.28 115.95 124.38 3iq5 h TRP 66 Ca 0.10 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 3iq5 h TRP 66 Cb 0.77 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.50 3iq5 h TRP 66 CO 0.04 0.79 -0.00 0.82 -2.79 0.00 0.00 178.44 177.30 3iq5 h ILE 67 N 1.01 1.06 -0.55 2.65 1.08 -0.47 -2.58 117.51 119.71 3iq5 h ILE 67 Ca 0.24 -0.21 0.07 0.00 -0.39 0.00 0.00 64.86 64.57 3iq5 h ILE 67 Cb 0.15 1.20 -0.06 0.00 -3.07 0.00 0.00 36.82 35.05 3iq5 h ILE 67 CO -0.03 0.05 0.23 0.25 -0.69 0.00 0.00 178.15 177.97 3iq5 h LEU 68 N -0.10 0.28 -0.44 1.44 5.85 -0.68 -1.74 115.31 119.92 3iq5 h LEU 68 Ca -0.00 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3iq5 h LEU 68 Cb 0.10 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3iq5 h LEU 68 CO 0.00 0.18 0.23 0.40 -0.34 0.00 0.00 178.44 178.91 3iq5 h ILE 69 N 0.44 0.98 -0.72 4.05 2.04 -0.99 -0.55 117.51 122.76 3iq5 h ILE 69 Ca 0.26 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.99 3iq5 h ILE 69 Cb 0.26 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3iq5 h ILE 69 CO -0.24 0.08 0.47 1.23 0.00 0.00 0.00 178.15 179.69 3iq5 h GLY 70 N 0.45 1.03 1.55 5.37 0.00 -0.99 -0.11 103.07 110.38 3iq5 h GLY 70 Ca 0.19 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 3iq5 h GLY 70 CO -0.12 0.33 -0.28 1.46 0.00 0.00 0.00 176.54 177.93 3iq5 h GLN 71 N 0.93 0.51 -0.19 4.80 4.20 -0.92 -0.32 115.11 124.13 3iq5 h GLN 71 Ca 0.28 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.68 3iq5 h GLN 71 Cb -0.05 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 3iq5 h GLN 71 CO -0.08 0.74 -0.28 0.82 -0.67 0.00 0.00 178.83 179.36 3iq5 h ILE 72 N 0.45 1.34 -0.84 2.54 2.04 -0.74 -1.75 117.51 120.55 3iq5 h ILE 72 Ca 0.06 -1.50 0.02 0.00 1.00 0.00 0.00 64.86 64.44 3iq5 h ILE 72 Cb 0.71 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 3iq5 h ILE 72 CO 0.05 0.46 0.56 0.45 0.00 0.00 0.00 178.15 179.67 3iq5 h HIS 73 N 0.18 1.03 -0.35 1.37 3.86 -0.78 0.59 115.15 121.04 3iq5 h HIS 73 Ca 0.02 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.09 3iq5 h HIS 73 Cb 0.86 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 3iq5 h HIS 73 CO 0.09 0.63 -0.42 -0.44 0.86 0.00 0.00 177.93 178.65 3iq5 h ASP 74 N 1.09 0.96 -0.45 2.45 3.32 -0.93 -1.71 116.42 121.15 3iq5 h ASP 74 Ca 0.32 -0.45 -0.08 0.00 0.02 0.00 0.00 57.03 56.84 3iq5 h ASP 74 Cb -0.05 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 3iq5 h ASP 74 CO -0.08 1.24 -0.03 0.00 -1.72 0.00 0.00 179.24 178.65 3iq5 h ALA 75 N 0.80 0.61 -0.36 3.45 0.00 -0.80 -2.46 119.26 120.49 3iq5 h ALA 75 Ca 0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3iq5 h ALA 75 Cb 1.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3iq5 h ALA 75 CO 0.10 0.42 0.05 1.25 0.00 0.00 0.00 179.25 181.08 3iq5 h LEU 76 N 0.65 0.49 -0.59 0.00 5.85 -0.82 -1.77 115.31 119.12 3iq5 h LEU 76 Ca 0.12 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.61 3iq5 h LEU 76 Cb 0.54 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3iq5 h LEU 76 CO 0.03 0.52 -0.57 -0.74 -0.34 0.00 0.00 178.44 177.34 3iq5 h HIS 77 N 0.52 0.51 -0.60 1.25 2.76 -1.15 -1.13 115.15 117.31 3iq5 h HIS 77 Ca 0.12 -0.19 -0.07 0.00 -2.20 0.00 0.00 60.37 58.03 3iq5 h HIS 77 Cb 0.25 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 3iq5 h HIS 77 CO 0.01 0.88 0.08 -0.07 -1.30 0.00 0.00 177.93 177.53 3iq5 h LEU 78 N 0.31 0.95 -0.06 0.26 3.38 -0.87 -2.20 115.31 117.08 3iq5 h LEU 78 Ca 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3iq5 h LEU 78 Cb 1.09 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3iq5 h LEU 78 CO 0.10 0.96 0.00 0.00 0.09 0.00 0.00 178.44 179.59 3iq5 h ALA 79 N 1.15 0.07 -0.43 1.53 0.00 -1.19 -0.24 119.26 120.15 3iq5 h ALA 79 Ca 0.18 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.06 3iq5 h ALA 79 Cb 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3iq5 h ALA 79 CO 0.01 -0.27 0.41 -0.91 0.00 0.00 0.00 179.25 178.49 3iq5 h ASN 80 N -0.17 0.00 -0.35 0.00 -0.26 -1.02 0.69 115.58 114.47 3iq5 h ASN 80 Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 3iq5 h ASN 80 Cb 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 3iq5 h ASN 80 CO 0.00 0.00 0.00 -0.62 -1.06 0.00 0.00 177.43 175.75 3iq5 n GLU 81 N -3.89 1.93 -1.05 0.81 1.02 -0.84 -4.91 120.64 113.70 3iq5 n GLU 81 Ca 0.08 -1.43 -0.02 0.00 -0.02 0.00 0.00 57.16 55.77 3iq5 n GLU 81 Cb 0.59 -1.35 -0.01 0.00 -0.02 0.00 0.00 31.44 30.65 3iq5 n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iq5 n GLY 82 N 1.17 0.52 2.79 0.62 0.00 0.24 -4.95 105.19 105.58 3iq5 n GLY 82 Ca 0.15 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3iq5 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iq5 n LYS 83 N -2.50 4.90 -0.15 1.61 5.02 -0.16 -4.86 118.16 122.02 3iq5 n LYS 83 Ca -0.02 -4.64 -0.04 0.00 -2.02 0.00 0.00 58.31 51.60 3iq5 n LYS 83 Cb 0.11 -2.47 0.06 0.00 -0.02 0.00 0.00 35.03 32.71 3iq5 n LYS 83 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3iq5 h VAL 84 N 2.75 0.84 0.14 -0.18 2.07 -1.85 -0.49 116.25 119.53 3iq5 h VAL 84 Ca 0.38 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.80 3iq5 h VAL 84 Cb 0.45 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3iq5 h VAL 84 CO 1.22 0.06 -0.25 0.11 0.02 0.00 0.00 177.57 178.73 3iq5 h LYS 85 N 0.35 -0.45 -1.00 1.57 1.79 -1.93 0.57 116.57 117.47 3iq5 h LYS 85 Ca 0.23 0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.86 3iq5 h LYS 85 Cb 0.24 0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 30.90 3iq5 h LYS 85 CO -0.23 -0.30 0.63 0.93 -1.08 0.00 0.00 179.45 179.39 3iq5 h GLU 86 N -0.47 0.91 -0.28 3.15 5.08 -1.89 0.17 114.58 121.26 3iq5 h GLU 86 Ca 0.02 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3iq5 h GLU 86 Cb 0.49 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3iq5 h GLU 86 CO -0.13 0.60 0.05 0.00 -1.00 0.00 0.00 179.01 178.53 3iq5 h ALA 87 N 1.56 0.37 -0.22 3.43 0.00 0.36 -1.11 119.26 123.65 3iq5 h ALA 87 Ca 0.51 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 3iq5 h ALA 87 Cb 0.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3iq5 h ALA 87 CO -0.28 0.05 -0.18 1.96 0.00 0.00 0.00 179.25 180.80 3iq5 h GLN 88 N 0.28 0.38 -0.48 0.00 4.20 0.10 -1.79 115.11 117.80 3iq5 h GLN 88 Ca 0.08 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3iq5 h GLN 88 Cb 0.32 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3iq5 h GLN 88 CO 0.00 0.55 0.00 0.00 -0.67 0.00 0.00 178.83 178.71 3iq5 h ALA 89 N 1.47 1.11 -0.89 3.87 0.00 -0.39 -2.51 119.26 121.93 3iq5 h ALA 89 Ca 0.06 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.73 3iq5 h ALA 89 Cb 0.52 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3iq5 h ALA 89 CO 0.03 0.57 0.59 0.00 0.00 0.00 0.00 179.25 180.44 3iq5 h ALA 90 N 1.27 1.39 -0.30 0.00 0.00 -0.31 -2.26 119.26 119.04 3iq5 h ALA 90 Ca 0.14 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.09 3iq5 h ALA 90 Cb 0.45 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3iq5 h ALA 90 CO 0.02 0.55 0.24 0.00 0.00 0.00 0.00 179.25 180.06 3iq5 h ALA 91 N 1.46 2.17 -0.03 0.00 0.00 -1.23 -2.01 119.26 119.62 3iq5 h ALA 91 Ca 0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3iq5 h ALA 91 Cb -0.09 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3iq5 h ALA 91 CO -0.08 -0.40 0.01 0.93 0.00 0.00 0.00 179.25 179.71 3iq5 h GLU 92 N 0.00 0.05 -0.07 0.00 4.39 -1.47 -1.50 114.58 115.99 3iq5 h GLU 92 Ca 0.14 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 3iq5 h GLU 92 Cb 0.63 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3iq5 h GLU 92 CO -0.00 0.25 -0.41 0.37 -1.16 0.00 0.00 179.01 178.05 3iq5 h GLN 93 N -0.15 0.15 -0.36 2.33 5.75 -1.61 -2.82 115.11 118.40 3iq5 h GLN 93 Ca 0.01 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 3iq5 h GLN 93 Cb 0.22 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 3iq5 h GLN 93 CO -0.00 0.54 0.14 1.25 -2.65 0.00 0.00 178.83 178.11 3iq5 h LEU 94 N 0.12 0.17 -1.95 -2.39 6.46 -1.08 -2.14 115.31 114.50 3iq5 h LEU 94 Ca 0.01 0.03 0.32 0.00 -0.12 0.00 0.00 57.88 58.13 3iq5 h LEU 94 Cb 0.79 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.68 3iq5 h LEU 94 CO 0.06 0.14 0.84 0.11 -0.62 0.00 0.00 178.44 178.96 3iq5 h LYS 95 N 0.30 0.00 -0.52 1.25 1.57 -1.01 0.94 116.57 119.11 3iq5 h LYS 95 Ca 0.16 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 3iq5 h LYS 95 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3iq5 h LYS 95 CO -0.15 0.00 0.10 0.00 -0.57 0.00 0.00 179.45 178.83 3iq5 h THR 97 N 0.77 1.26 0.33 0.00 1.35 -0.93 0.76 112.91 116.44 3iq5 h THR 97 Ca 0.17 -1.08 -0.00 0.00 -0.55 0.00 0.00 66.41 64.95 3iq5 h THR 97 Cb 0.32 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 67.44 3iq5 h THR 97 CO 0.00 0.40 -0.47 0.00 -0.25 0.00 0.00 175.52 175.20 3iq5 h ASN 99 N -0.85 0.58 0.34 0.00 4.21 -0.91 -1.74 115.58 117.21 3iq5 h ASN 99 Ca -0.03 0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.53 3iq5 h ASN 99 Cb 0.78 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.95 3iq5 h ASN 99 CO -0.14 0.31 -0.16 0.00 -1.29 0.00 0.00 177.43 176.15 3iq5 h ALA 100 N 1.47 -0.45 -0.76 -0.83 0.00 -0.61 0.31 119.26 118.40 3iq5 h ALA 100 Ca 0.40 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.26 3iq5 h ALA 100 Cb 0.44 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3iq5 h ALA 100 CO -0.28 -0.71 0.43 0.00 0.00 0.00 0.00 179.25 178.69 3iq5 h HIS 102 N 0.77 -0.18 -0.87 0.00 -0.00 -1.14 0.45 115.15 114.17 3iq5 h HIS 102 Ca 0.35 -0.00 0.21 0.00 -0.00 0.00 0.00 60.37 60.92 3iq5 h HIS 102 Cb 0.25 0.07 -0.06 0.00 -0.00 0.00 0.00 27.41 27.67 3iq5 h HIS 102 CO -0.07 -0.11 0.59 1.96 -0.00 0.00 0.00 177.93 180.30 3iq5 h GLN 103 N -0.17 0.31 0.00 2.45 4.20 -0.24 0.12 115.11 121.77 3iq5 h GLN 103 Ca -0.00 -0.02 -0.33 0.00 0.06 0.00 0.00 58.65 58.36 3iq5 h GLN 103 Cb 0.15 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.81 3iq5 h GLN 103 CO -0.00 0.20 -2.01 1.63 -0.67 0.00 0.00 178.83 177.98 3iq5 n LYS 104 N -4.46 0.66 0.00 1.46 5.02 -0.79 -4.74 118.16 115.30 3iq5 n LYS 104 Ca 0.18 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 3iq5 n LYS 104 Cb 0.73 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 3iq5 n LYS 104 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3iq5 n TYR 105 N -2.93 0.00 1.82 2.13 4.02 0.15 -5.10 117.16 117.25 3iq5 n TYR 105 Ca -0.24 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.80 3iq5 n TYR 105 Cb 1.10 0.00 0.79 0.00 -0.02 0.00 0.00 39.34 41.21 3iq5 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72