#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 4.09 0.17 0.00 3.68 -1.26 -4.80 116.67 118.55 3iq5 s ASP 2 Ca 0.00 2.26 -0.10 0.00 2.13 0.00 0.00 52.55 56.83 3iq5 s ASP 2 Cb 0.00 -2.58 0.06 0.00 -1.45 0.00 0.00 42.92 38.95 3iq5 s ASP 2 CO 0.00 -2.33 1.65 0.25 0.13 0.00 0.00 175.17 174.87 3iq5 h LEU 3 N -0.59 0.96 -0.65 -1.34 5.85 -1.97 0.15 115.31 117.72 3iq5 h LEU 3 Ca -0.46 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 57.95 3iq5 h LEU 3 Cb 1.28 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 3iq5 h LEU 3 CO 0.49 0.99 0.26 -0.08 -0.34 0.00 0.00 178.44 179.76 3iq5 h GLU 4 N 0.89 0.97 -0.30 1.25 4.81 -1.99 0.67 114.58 120.89 3iq5 h GLU 4 Ca 0.18 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3iq5 h GLU 4 Cb 0.46 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3iq5 h GLU 4 CO 0.02 0.81 0.09 -0.44 -0.73 0.00 0.00 179.01 178.75 3iq5 h ASP 5 N 0.91 0.44 -0.82 1.04 3.32 -1.83 -1.49 116.42 117.99 3iq5 h ASP 5 Ca 0.22 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3iq5 h ASP 5 Cb 0.20 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3iq5 h ASP 5 CO -0.02 0.54 0.36 0.78 -1.72 0.00 0.00 179.24 179.17 3iq5 h ASN 6 N 0.32 1.10 -0.31 6.45 2.35 -0.37 -2.17 115.58 122.95 3iq5 h ASN 6 Ca 0.09 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3iq5 h ASN 6 Cb 0.26 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3iq5 h ASN 6 CO -0.00 0.95 0.09 0.24 -1.65 0.00 0.00 177.43 177.06 3iq5 h MET 7 N 1.17 0.57 -0.46 0.81 2.86 -0.71 -1.55 114.93 117.62 3iq5 h MET 7 Ca 0.28 -0.10 -0.13 0.00 -2.06 0.00 0.00 59.70 57.69 3iq5 h MET 7 Cb 0.17 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3iq5 h MET 7 CO -0.03 0.53 -0.24 0.93 1.06 0.00 0.00 176.91 179.16 3iq5 h GLU 8 N 0.55 0.96 -0.02 1.72 4.39 -0.67 -1.32 114.58 120.19 3iq5 h GLU 8 Ca 0.13 -0.42 -0.12 0.00 0.34 0.00 0.00 59.36 59.29 3iq5 h GLU 8 Cb 0.22 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3iq5 h GLU 8 CO -0.00 1.08 -0.54 0.00 -1.16 0.00 0.00 179.01 178.39 3iq5 h THR 9 N 0.82 1.38 -0.18 1.13 1.03 -1.03 -0.66 112.91 115.40 3iq5 h THR 9 Ca 0.10 -1.84 -0.03 0.00 -0.01 0.00 0.00 66.41 64.63 3iq5 h THR 9 Cb 0.81 1.97 -0.01 0.00 -1.07 0.00 0.00 68.15 69.85 3iq5 h THR 9 CO 0.07 0.53 0.01 -0.07 -0.01 0.00 0.00 175.52 176.05 3iq5 h LEU 10 N 0.05 0.30 -0.19 0.00 4.07 -1.10 -2.13 115.31 116.31 3iq5 h LEU 10 Ca -0.00 -0.30 -0.02 0.00 0.08 0.00 0.00 57.88 57.64 3iq5 h LEU 10 Cb 0.97 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 3iq5 h LEU 10 CO 0.07 0.52 0.05 -1.13 -1.08 0.00 0.00 178.44 176.87 3iq5 h ASN 11 N 0.07 0.29 -0.78 -0.43 -1.24 -1.11 -2.10 115.58 110.28 3iq5 h ASN 11 Ca 0.05 -0.23 -0.04 0.00 0.71 0.00 0.00 56.30 56.79 3iq5 h ASN 11 Cb 0.36 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.30 3iq5 h ASN 11 CO 0.01 0.44 0.35 0.44 -1.29 0.00 0.00 177.43 177.38 3iq5 h ASP 12 N 0.12 1.05 1.10 1.15 3.32 -1.15 -2.73 116.42 119.28 3iq5 h ASP 12 Ca 0.06 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 3iq5 h ASP 12 Cb 0.27 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3iq5 h ASP 12 CO 0.00 0.90 -0.36 0.78 -1.72 0.00 0.00 179.24 178.84 3iq5 h ASN 13 N 1.13 0.00 -0.53 6.45 4.21 -1.33 -2.22 115.58 123.29 3iq5 h ASN 13 Ca 0.27 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.72 3iq5 h ASN 13 Cb 0.16 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.34 3iq5 h ASN 13 CO -0.03 0.36 0.13 0.25 -1.29 0.00 0.00 177.43 176.85 3iq5 h LEU 14 N 0.00 0.80 -0.55 1.61 5.85 -1.09 -1.23 115.31 120.71 3iq5 h LEU 14 Ca -0.00 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 3iq5 h LEU 14 Cb 1.01 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 3iq5 h LEU 14 CO 0.05 0.83 0.27 0.11 -0.34 0.00 0.00 178.44 179.36 3iq5 h LYS 15 N 0.74 0.78 -1.00 1.25 1.57 -1.24 -0.82 116.57 117.85 3iq5 h LYS 15 Ca 0.16 -0.11 0.08 0.00 -1.87 0.00 0.00 60.65 58.92 3iq5 h LYS 15 Cb 0.34 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.43 3iq5 h LYS 15 CO 0.00 0.63 0.64 0.28 -0.57 0.00 0.00 179.45 180.44 3iq5 h VAL 16 N 0.73 1.03 -0.22 0.50 2.07 -1.10 -2.07 116.25 117.19 3iq5 h VAL 16 Ca 0.19 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 3iq5 h VAL 16 Cb 0.10 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 29.69 3iq5 h VAL 16 CO -0.03 0.20 -0.16 0.40 0.02 0.00 0.00 177.57 178.00 3iq5 h ILE 17 N 1.11 1.32 0.00 4.57 2.04 -0.48 -0.63 117.51 125.44 3iq5 h ILE 17 Ca 0.45 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 3iq5 h ILE 17 Cb 0.28 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3iq5 h ILE 17 CO -0.21 0.40 -0.03 -0.33 0.00 0.00 0.00 178.15 177.98 3iq5 h GLU 18 N 0.19 0.00 -0.00 2.37 5.08 -0.67 -2.44 114.58 119.11 3iq5 h GLU 18 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3iq5 h GLU 18 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3iq5 h GLU 18 CO 0.04 0.03 -0.92 1.63 -1.00 0.00 0.00 179.01 178.79 3iq5 n LYS 19 N -3.89 0.38 -1.53 2.33 5.02 -0.83 -5.04 118.16 114.60 3iq5 n LYS 19 Ca -0.03 -0.06 -0.39 0.00 -2.02 0.00 0.00 58.31 55.81 3iq5 n LYS 19 Cb 0.11 -1.45 0.04 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.39 -0.56 -0.08 7.82 0.00 -0.26 -4.98 120.51 121.07 3iq5 n ALA 20 Ca 0.04 0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 3iq5 n ALA 20 Cb 0.32 -1.95 -0.09 0.00 0.00 0.00 0.00 19.45 17.73 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 0.12 2.26 -3.25 0.00 8.00 -1.26 -5.07 116.55 117.36 3iq5 n ASP 21 Ca 0.12 -0.06 -0.18 0.00 0.71 0.00 0.00 54.79 55.38 3iq5 n ASP 21 Cb 0.46 0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.64 3iq5 n ASP 21 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3iq5 n ASN 22 N -2.83 1.82 0.11 -2.24 0.23 -1.26 -5.07 115.26 106.02 3iq5 n ASN 22 Ca -0.28 -2.37 -0.18 0.00 -0.53 0.00 0.00 54.58 51.23 3iq5 n ASN 22 Cb 0.87 0.48 -0.14 0.00 -2.08 0.00 0.00 39.78 38.91 3iq5 n ASN 22 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iq5 h ALA 23 N 1.32 0.06 -0.62 -2.53 0.00 -1.92 -3.20 119.26 112.37 3iq5 h ALA 23 Ca -0.22 -0.86 0.10 0.00 0.00 0.00 0.00 54.91 53.93 3iq5 h ALA 23 Cb 0.77 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 3iq5 h ALA 23 CO 0.36 0.89 0.20 0.00 0.00 0.00 0.00 179.25 180.70 3iq5 h ALA 24 N 0.49 0.78 -0.26 0.00 0.00 -1.98 0.29 119.26 118.59 3iq5 h ALA 24 Ca -0.16 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3iq5 h ALA 24 Cb 1.98 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 3iq5 h ALA 24 CO 0.22 -0.23 0.03 1.96 0.00 0.00 0.00 179.25 181.23 3iq5 h GLN 25 N 0.36 0.44 -0.27 0.00 4.20 -2.00 -1.14 115.11 116.70 3iq5 h GLN 25 Ca 0.32 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 3iq5 h GLN 25 Cb 0.43 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3iq5 h GLN 25 CO -0.35 0.57 0.01 0.28 -0.67 0.00 0.00 178.83 178.67 3iq5 h VAL 26 N 0.24 1.25 -0.32 -0.54 2.07 -1.40 -1.64 116.25 115.91 3iq5 h VAL 26 Ca 0.08 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.75 3iq5 h VAL 26 Cb 0.35 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3iq5 h VAL 26 CO 0.01 0.28 0.09 0.50 0.02 0.00 0.00 177.57 178.47 3iq5 h LYS 27 N 0.26 0.22 -0.62 1.57 3.64 -0.42 0.14 116.57 121.35 3iq5 h LYS 27 Ca 0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3iq5 h LYS 27 Cb 0.40 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 3iq5 h LYS 27 CO 0.01 0.14 0.35 0.22 -2.27 0.00 0.00 179.45 177.91 3iq5 h ASP 28 N 0.22 0.76 -0.10 4.20 1.82 -1.12 -0.31 116.42 121.89 3iq5 h ASP 28 Ca 0.15 -0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 3iq5 h ASP 28 Cb 0.14 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 39.95 3iq5 h ASP 28 CO -0.17 0.62 0.03 0.00 -1.61 0.00 0.00 179.24 178.11 3iq5 h ALA 29 N 1.17 0.13 -0.70 -0.78 0.00 -0.70 -2.18 119.26 116.20 3iq5 h ALA 29 Ca 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3iq5 h ALA 29 Cb 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3iq5 h ALA 29 CO -0.04 -0.27 0.38 -0.07 0.00 0.00 0.00 179.25 179.25 3iq5 h LEU 30 N -0.03 0.87 -0.42 0.00 3.38 -0.61 -1.47 115.31 117.02 3iq5 h LEU 30 Ca 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3iq5 h LEU 30 Cb 0.21 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3iq5 h LEU 30 CO -0.00 0.70 0.27 0.74 0.09 0.00 0.00 178.44 180.24 3iq5 h THR 31 N 0.98 1.12 -0.25 0.22 2.02 -0.86 0.55 112.91 116.69 3iq5 h THR 31 Ca 0.25 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 3iq5 h THR 31 Cb 0.03 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3iq5 h THR 31 CO -0.04 0.12 -0.08 0.11 0.37 0.00 0.00 175.52 176.00 3iq5 h LYS 32 N 0.57 0.40 -0.34 6.66 1.57 -0.91 -2.48 116.57 122.04 3iq5 h LYS 32 Ca 0.15 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 3iq5 h LYS 32 Cb -0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3iq5 h LYS 32 CO -0.03 0.49 -0.03 0.52 -0.57 0.00 0.00 179.45 179.83 3iq5 h MET 33 N 0.38 0.63 -0.31 3.15 2.86 -0.34 -1.71 114.93 119.58 3iq5 h MET 33 Ca 0.08 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3iq5 h MET 33 Cb 0.38 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 3iq5 h MET 33 CO 0.02 0.76 0.08 0.00 1.06 0.00 0.00 176.91 178.83 3iq5 h ALA 34 N 0.84 0.34 -0.55 6.32 0.00 -0.66 0.51 119.26 126.05 3iq5 h ALA 34 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3iq5 h ALA 34 Cb 0.50 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3iq5 h ALA 34 CO 0.02 -0.33 0.36 0.00 0.00 0.00 0.00 179.25 179.31 3iq5 h ALA 35 N 1.22 0.70 -0.53 0.00 0.00 -1.30 0.14 119.26 119.49 3iq5 h ALA 35 Ca 0.14 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3iq5 h ALA 35 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3iq5 h ALA 35 CO -0.18 0.15 -0.07 0.00 0.00 0.00 0.00 179.25 179.15 3iq5 h ALA 36 N 1.20 0.72 -0.44 0.00 0.00 -0.48 -1.60 119.26 118.66 3iq5 h ALA 36 Ca 0.20 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3iq5 h ALA 36 Cb -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3iq5 h ALA 36 CO -0.04 0.60 0.27 0.00 0.00 0.00 0.00 179.25 180.09 3iq5 h ALA 37 N 0.93 0.56 -0.86 0.00 0.00 0.29 -1.21 119.26 118.97 3iq5 h ALA 37 Ca 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3iq5 h ALA 37 Cb 0.62 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3iq5 h ALA 37 CO 0.04 0.04 0.50 0.00 0.00 0.00 0.00 179.25 179.83 3iq5 h ALA 38 N 1.13 1.10 -0.25 0.00 0.00 -0.47 -1.07 119.26 119.71 3iq5 h ALA 38 Ca 0.16 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3iq5 h ALA 38 Cb -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3iq5 h ALA 38 CO -0.03 0.58 -0.47 0.22 0.00 0.00 0.00 179.25 179.55 3iq5 h ASP 39 N 1.19 0.71 0.60 0.00 3.58 -1.11 -3.12 116.42 118.27 3iq5 h ASP 39 Ca 0.31 -0.35 -0.10 0.00 0.42 0.00 0.00 57.03 57.31 3iq5 h ASP 39 Cb -0.02 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 3iq5 h ASP 39 CO -0.05 1.07 -0.49 0.00 -2.88 0.00 0.00 179.24 176.88 3iq5 h ALA 40 N 0.96 1.09 -1.31 -0.78 0.00 -0.99 -3.31 119.26 114.91 3iq5 h ALA 40 Ca 0.03 -0.45 0.43 0.00 0.00 0.00 0.00 54.91 54.92 3iq5 h ALA 40 Cb 1.01 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.59 3iq5 h ALA 40 CO 0.09 0.62 0.84 2.35 0.00 0.00 0.00 179.25 183.15 3iq5 h TRP 41 N 0.00 0.53 -0.61 0.00 2.91 -1.13 0.84 115.95 118.50 3iq5 h TRP 41 Ca -0.00 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.04 3iq5 h TRP 41 Cb 0.93 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.44 3iq5 h TRP 41 CO 0.00 -0.21 0.00 -1.13 -1.03 0.00 0.00 178.44 176.07 3iq5 n SER 42 N -4.71 4.32 -4.87 2.65 3.41 -1.25 -4.71 113.62 108.46 3iq5 n SER 42 Ca 0.37 -2.34 -0.31 0.00 -0.26 0.00 0.00 58.87 56.34 3iq5 n SER 42 Cb 1.42 -0.52 0.01 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 -1.63 3.10 -0.24 7.33 0.00 0.29 -5.05 121.76 125.56 3iq5 s ALA 43 Ca 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 3iq5 s ALA 43 Cb 0.29 -3.03 0.03 0.00 0.00 0.00 0.00 23.12 20.40 3iq5 s ALA 43 CO 0.24 -0.71 -0.09 0.99 0.00 0.00 0.00 175.76 176.20 3iq5 s THR 44 N -3.16 2.70 0.49 0.00 2.01 -1.26 -4.99 115.64 111.43 3iq5 s THR 44 Ca 0.55 -1.03 -0.20 0.00 0.31 0.00 0.00 61.69 61.31 3iq5 s THR 44 Cb -0.11 -2.35 -0.08 0.00 0.01 0.00 0.00 72.50 69.97 3iq5 s THR 44 CO 0.53 0.25 1.05 -2.16 -0.69 0.00 0.00 174.62 173.60 3iq5 s PRO 45 N 1.31 3.76 0.24 4.92 0.04 -1.26 -4.86 135.00 139.15 3iq5 s PRO 45 Ca 0.01 1.38 -0.12 0.00 0.04 0.00 0.00 61.00 62.30 3iq5 s PRO 45 Cb -0.16 -2.09 0.33 0.00 0.04 0.00 0.00 34.50 32.62 3iq5 s PRO 45 CO -0.06 -0.47 1.58 -1.35 0.04 0.00 0.00 177.00 176.74 3iq5 h PRO 46 N 1.51 -0.02 0.00 0.56 0.11 -2.00 0.26 132.00 132.43 3iq5 h PRO 46 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3iq5 h PRO 46 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3iq5 h PRO 46 CO 0.59 -0.01 0.00 1.63 -0.21 0.00 0.00 178.00 180.00 3iq5 n LYS 47 N -5.53 0.48 -0.06 1.05 5.02 -1.26 -2.17 118.16 115.69 3iq5 n LYS 47 Ca 0.11 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.41 3iq5 n LYS 47 Cb 0.42 -1.33 0.01 0.00 -0.02 0.00 0.00 35.03 34.12 3iq5 n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3iq5 n LEU 48 N -0.83 0.96 0.28 -0.35 4.77 0.87 -4.80 117.00 117.90 3iq5 n LEU 48 Ca 0.08 -1.15 0.12 0.00 -0.03 0.00 0.00 56.01 55.03 3iq5 n LEU 48 Cb 0.03 -0.04 0.81 0.00 -2.33 0.00 0.00 43.42 41.90 3iq5 n LEU 48 CO 0.06 0.28 1.10 -0.33 -1.33 0.00 0.00 177.39 177.17 3iq5 h GLU 49 N 0.00 0.00 -0.17 3.23 5.08 -0.99 -1.00 114.58 120.73 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 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3iq5 h GLU 49 CO 0.00 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 177.61 3iq5 n ASP 50 N -4.09 2.38 -4.90 1.42 5.68 -1.26 -4.92 116.55 110.85 3iq5 n ASP 50 Ca -0.03 -1.80 -0.28 0.00 -0.50 0.00 0.00 54.79 52.18 3iq5 n ASP 50 Cb 0.09 -0.10 -0.02 0.00 -1.14 0.00 0.00 41.12 39.95 3iq5 n ASP 50 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3iq5 s LYS 51 N -1.80 3.64 0.42 0.11 -0.14 -0.38 -5.05 119.74 116.53 3iq5 s LYS 51 Ca 0.34 0.17 -0.25 0.00 -1.36 0.00 0.00 55.97 54.88 3iq5 s LYS 51 Cb 0.20 -2.49 -0.08 0.00 -1.68 0.00 0.00 37.83 33.78 3iq5 s LYS 51 CO 0.30 0.01 1.20 0.45 -0.76 0.00 0.00 175.35 176.55 3iq5 s SER 52 N -3.51 6.37 0.55 2.83 0.15 -1.26 -4.87 113.70 113.96 3iq5 s SER 52 Ca 0.47 2.40 0.37 0.00 0.70 0.00 0.00 55.95 59.89 3iq5 s SER 52 Cb -0.10 -2.62 1.98 0.00 -1.71 0.00 0.00 66.02 63.57 3iq5 s SER 52 CO 0.35 -0.78 2.12 -0.65 1.20 0.00 0.00 173.24 175.48 3iq5 h PRO 53 N 2.48 0.00 -0.40 5.44 0.11 -1.96 -1.02 132.00 136.65 3iq5 h PRO 53 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3iq5 h PRO 53 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3iq5 h PRO 53 CO 0.62 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.16 3iq5 n ASP 54 N -2.79 3.27 -4.69 -2.05 10.43 -1.26 -4.58 116.55 114.87 3iq5 n ASP 54 Ca -0.02 -1.93 -0.32 0.00 2.57 0.00 0.00 54.79 55.09 3iq5 n ASP 54 Cb 0.06 -0.26 0.15 0.00 1.84 0.00 0.00 41.12 42.91 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 -1.24 3.26 0.40 -2.24 1.04 -0.39 -4.75 113.70 109.78 3iq5 s SER 55 Ca 0.34 2.22 0.08 0.00 0.48 0.00 0.00 55.95 59.07 3iq5 s SER 55 Cb 0.19 -2.57 0.83 0.00 0.10 0.00 0.00 66.02 64.57 3iq5 s SER 55 CO 0.27 -2.88 1.98 -0.65 0.98 0.00 0.00 173.24 172.94 3iq5 h PRO 56 N -1.51 0.37 0.29 4.02 0.11 -1.95 -0.35 132.00 132.99 3iq5 h PRO 56 Ca -0.44 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3iq5 h PRO 56 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3iq5 h PRO 56 CO 0.44 0.36 -0.14 0.93 -0.21 0.00 0.00 178.00 179.38 3iq5 h GLU 57 N 0.37 -0.38 -0.28 1.05 3.07 -1.93 0.14 114.58 116.62 3iq5 h GLU 57 Ca 0.09 0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.92 3iq5 h GLU 57 Cb 0.17 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 3iq5 h GLU 57 CO -0.00 -0.22 -0.08 0.52 -1.40 0.00 0.00 179.01 177.83 3iq5 h MET 58 N -0.45 0.46 -0.54 2.33 2.86 -1.73 0.26 114.93 118.12 3iq5 h MET 58 Ca -0.04 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.37 3iq5 h MET 58 Cb 0.34 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 3iq5 h MET 58 CO 0.07 0.55 -0.12 1.25 1.06 0.00 0.00 176.91 179.72 3iq5 h HIS 59 N 0.43 1.14 -0.26 -0.22 -0.00 -0.84 -1.29 115.15 114.12 3iq5 h HIS 59 Ca 0.09 -0.24 -0.15 0.00 -0.00 0.00 0.00 60.37 60.07 3iq5 h HIS 59 Cb 0.41 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 3iq5 h HIS 59 CO 0.01 1.06 -0.46 0.22 -0.00 0.00 0.00 177.93 178.77 3iq5 h ASP 60 N 0.90 0.71 -0.02 3.26 3.58 -0.04 -1.15 116.42 123.67 3iq5 h ASP 60 Ca 0.14 -0.34 0.01 0.00 0.42 0.00 0.00 57.03 57.25 3iq5 h ASP 60 Cb 0.69 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 3iq5 h ASP 60 CO 0.05 1.06 -0.03 0.15 -2.88 0.00 0.00 179.24 177.60 3iq5 h PHE 61 N 0.53 -0.07 -0.15 0.28 3.57 -0.29 -1.51 116.94 119.31 3iq5 h PHE 61 Ca 0.03 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 3iq5 h PHE 61 Cb 1.00 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 3iq5 h PHE 61 CO 0.05 -0.04 -0.13 0.00 -2.23 0.00 0.00 178.31 175.95 3iq5 h ARG 62 N -0.04 0.23 -0.71 1.11 3.08 -1.19 -2.30 114.38 114.56 3iq5 h ARG 62 Ca 0.02 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3iq5 h ARG 62 Cb 0.07 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3iq5 h ARG 62 CO -0.04 0.37 0.23 1.25 -1.07 0.00 0.00 179.97 180.71 3iq5 h HIS 63 N 0.22 1.14 -0.58 3.04 2.76 -0.61 -1.54 115.15 119.58 3iq5 h HIS 63 Ca 0.04 -0.11 0.07 0.00 -2.20 0.00 0.00 60.37 58.17 3iq5 h HIS 63 Cb 0.38 -0.33 -0.06 0.00 1.55 0.00 0.00 27.41 28.95 3iq5 h HIS 63 CO 0.01 0.90 0.26 0.78 -1.30 0.00 0.00 177.93 178.58 3iq5 h GLY 64 N 1.04 0.81 1.77 5.26 0.00 -0.70 0.24 103.07 111.50 3iq5 h GLY 64 Ca 0.23 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 3iq5 h GLY 64 CO -0.01 0.05 -0.42 0.74 0.00 0.00 0.00 176.54 176.90 3iq5 h PHE 65 N 0.48 0.30 -0.58 5.60 -1.00 -1.46 -0.70 116.94 119.57 3iq5 h PHE 65 Ca 0.27 -0.08 0.02 0.00 2.81 0.00 0.00 57.97 60.99 3iq5 h PHE 65 Cb 0.26 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 3iq5 h PHE 65 CO -0.13 0.64 0.37 2.35 -1.61 0.00 0.00 178.31 179.93 3iq5 h TRP 66 N 0.21 0.69 0.11 -0.55 7.01 -0.13 0.15 115.95 123.44 3iq5 h TRP 66 Ca 0.02 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 3iq5 h TRP 66 Cb 0.84 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.67 3iq5 h TRP 66 CO 0.02 0.42 -0.05 0.82 -2.79 0.00 0.00 178.44 176.85 3iq5 h ILE 67 N 0.74 0.97 -0.63 2.65 2.04 -0.63 -2.47 117.51 120.18 3iq5 h ILE 67 Ca 0.22 -0.29 0.09 0.00 1.00 0.00 0.00 64.86 65.88 3iq5 h ILE 67 Cb -0.03 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 3iq5 h ILE 67 CO -0.08 0.07 0.28 0.25 0.00 0.00 0.00 178.15 178.67 3iq5 h LEU 68 N -0.28 0.33 -0.14 1.44 5.85 -0.75 -0.08 115.31 121.68 3iq5 h LEU 68 Ca -0.01 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3iq5 h LEU 68 Cb 0.23 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3iq5 h LEU 68 CO 0.02 0.20 0.03 0.40 -0.34 0.00 0.00 178.44 178.76 3iq5 h ILE 69 N 0.49 0.95 -0.88 4.05 2.04 -0.61 0.15 117.51 123.70 3iq5 h ILE 69 Ca 0.31 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 66.21 3iq5 h ILE 69 Cb 0.34 0.85 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 3iq5 h ILE 69 CO -0.27 0.02 0.54 1.23 0.00 0.00 0.00 178.15 179.66 3iq5 h GLY 70 N 0.09 1.35 1.46 5.37 0.00 -0.88 -0.01 103.07 110.45 3iq5 h GLY 70 Ca 0.06 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 3iq5 h GLY 70 CO -0.07 0.23 -0.24 1.46 0.00 0.00 0.00 176.54 177.91 3iq5 h GLN 71 N 0.95 0.62 -0.24 4.80 4.20 -0.06 -1.84 115.11 123.55 3iq5 h GLN 71 Ca 0.40 -0.25 -0.13 0.00 0.06 0.00 0.00 58.65 58.73 3iq5 h GLN 71 Cb 0.25 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 3iq5 h GLN 71 CO -0.20 0.81 -0.35 0.82 -0.67 0.00 0.00 178.83 179.24 3iq5 h ILE 72 N 0.55 1.31 -0.82 2.54 2.04 0.06 -1.68 117.51 121.51 3iq5 h ILE 72 Ca 0.08 -1.55 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 3iq5 h ILE 72 Cb 0.71 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 3iq5 h ILE 72 CO 0.05 0.49 0.46 0.45 0.00 0.00 0.00 178.15 179.60 3iq5 h HIS 73 N 0.37 1.11 -0.39 1.37 3.86 -0.95 0.44 115.15 120.96 3iq5 h HIS 73 Ca 0.02 -0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 3iq5 h HIS 73 Cb 0.94 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 3iq5 h HIS 73 CO 0.08 0.76 -0.09 -0.44 0.86 0.00 0.00 177.93 179.10 3iq5 h ASP 74 N 1.14 0.76 -0.82 2.45 3.32 -1.25 -0.67 116.42 121.36 3iq5 h ASP 74 Ca 0.29 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3iq5 h ASP 74 Cb 0.00 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 3iq5 h ASP 74 CO -0.05 0.95 0.51 0.00 -1.72 0.00 0.00 179.24 178.92 3iq5 h ALA 75 N 0.84 1.04 -0.58 3.45 0.00 -0.66 -0.86 119.26 122.49 3iq5 h ALA 75 Ca 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3iq5 h ALA 75 Cb 0.61 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3iq5 h ALA 75 CO 0.04 0.49 0.32 1.25 0.00 0.00 0.00 179.25 181.35 3iq5 h LEU 76 N 1.12 0.71 -0.33 0.00 5.85 0.23 -1.02 115.31 121.87 3iq5 h LEU 76 Ca 0.30 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 3iq5 h LEU 76 Cb -0.06 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3iq5 h LEU 76 CO -0.06 0.58 -0.02 -0.74 -0.34 0.00 0.00 178.44 177.86 3iq5 h HIS 77 N 0.81 0.66 -0.96 1.25 2.76 0.22 0.15 115.15 120.03 3iq5 h HIS 77 Ca 0.21 -0.12 0.06 0.00 -2.20 0.00 0.00 60.37 58.31 3iq5 h HIS 77 Cb 0.02 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 28.75 3iq5 h HIS 77 CO 0.00 0.74 0.62 -0.07 -1.30 0.00 0.00 177.93 177.92 3iq5 h LEU 78 N 0.40 1.00 -0.24 0.26 3.38 -0.79 -2.29 115.31 117.04 3iq5 h LEU 78 Ca 0.09 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3iq5 h LEU 78 Cb 0.49 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3iq5 h LEU 78 CO 0.02 0.65 -0.01 0.00 0.09 0.00 0.00 178.44 179.20 3iq5 h ALA 79 N 1.43 0.32 0.00 1.53 0.00 -0.69 0.34 119.26 122.19 3iq5 h ALA 79 Ca 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3iq5 h ALA 79 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3iq5 h ALA 79 CO -0.16 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.24 3iq5 n ASN 80 N -4.63 0.47 -1.45 0.00 5.03 0.46 0.03 115.26 115.17 3iq5 n ASN 80 Ca -0.04 0.72 0.08 0.00 0.87 0.00 0.00 54.58 56.21 3iq5 n ASN 80 Cb 0.25 -0.78 0.33 0.00 -1.02 0.00 0.00 39.78 38.56 3iq5 n ASN 80 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3iq5 n GLU 81 N -2.13 3.84 -1.26 3.52 1.02 -0.92 -4.92 120.64 119.79 3iq5 n GLU 81 Ca -0.01 -2.90 -0.09 0.00 -0.02 0.00 0.00 57.16 54.14 3iq5 n GLU 81 Cb 0.03 -1.94 -0.04 0.00 -0.02 0.00 0.00 31.44 29.47 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 0.57 0.90 3.00 0.62 0.00 0.10 -4.89 105.19 105.50 3iq5 n GLY 82 Ca 0.24 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.02 3.59 0.20 1.61 5.02 0.07 -4.84 118.16 122.80 3iq5 n LYS 83 Ca -0.09 -3.63 -0.15 0.00 -2.02 0.00 0.00 58.31 52.43 3iq5 n LYS 83 Cb 0.50 -2.94 -0.07 0.00 -0.02 0.00 0.00 35.03 32.50 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 3.93 0.49 -0.94 -0.18 2.07 -1.88 0.27 116.25 120.00 3iq5 h VAL 84 Ca 0.37 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.96 3iq5 h VAL 84 Cb 0.68 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 3iq5 h VAL 84 CO 1.53 0.00 0.61 0.50 0.02 0.00 0.00 177.57 180.24 3iq5 h LYS 85 N -0.56 1.04 -0.11 1.57 1.63 -1.97 0.11 116.57 118.29 3iq5 h LYS 85 Ca -0.02 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.64 3iq5 h LYS 85 Cb 0.49 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 3iq5 h LYS 85 CO -0.00 0.69 -0.21 0.93 -3.45 0.00 0.00 179.45 177.41 3iq5 h GLU 86 N 1.08 0.34 -0.95 1.90 5.08 -1.89 -1.54 114.58 118.59 3iq5 h GLU 86 Ca 0.41 -0.22 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 3iq5 h GLU 86 Cb 0.21 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 3iq5 h GLU 86 CO -0.16 0.81 0.61 0.00 -1.00 0.00 0.00 179.01 179.27 3iq5 h ALA 87 N 0.53 1.28 -0.33 3.43 0.00 0.05 -1.16 119.26 123.06 3iq5 h ALA 87 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3iq5 h ALA 87 Cb 0.79 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3iq5 h ALA 87 CO 0.05 0.45 -0.28 1.96 0.00 0.00 0.00 179.25 181.43 3iq5 h GLN 88 N 1.16 0.69 -0.04 0.00 4.20 -0.73 0.04 115.11 120.43 3iq5 h GLN 88 Ca 0.39 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 3iq5 h GLN 88 Cb 0.06 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3iq5 h GLN 88 CO -0.14 0.90 -0.32 0.00 -0.67 0.00 0.00 178.83 178.59 3iq5 h ALA 89 N 1.09 1.39 -0.13 3.87 0.00 -0.69 -1.00 119.26 123.79 3iq5 h ALA 89 Ca 0.07 -0.31 -0.20 0.00 0.00 0.00 0.00 54.91 54.47 3iq5 h ALA 89 Cb 0.78 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.52 3iq5 h ALA 89 CO 0.06 0.45 -0.70 0.00 0.00 0.00 0.00 179.25 179.06 3iq5 h ALA 90 N 1.61 0.26 -0.66 0.00 0.00 -0.74 -2.25 119.26 117.47 3iq5 h ALA 90 Ca 0.01 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 3iq5 h ALA 90 Cb 0.61 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3iq5 h ALA 90 CO 0.04 0.57 0.11 0.00 0.00 0.00 0.00 179.25 179.98 3iq5 h ALA 91 N 0.51 0.88 -0.66 0.00 0.00 -0.69 -2.01 119.26 117.29 3iq5 h ALA 91 Ca -0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3iq5 h ALA 91 Cb 1.34 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3iq5 h ALA 91 CO 0.14 0.64 0.24 1.49 0.00 0.00 0.00 179.25 181.76 3iq5 h GLU 92 N 1.01 0.98 -0.39 0.00 4.57 -1.16 -2.97 114.58 116.62 3iq5 h GLU 92 Ca 0.20 -0.18 -0.13 0.00 -1.18 0.00 0.00 59.36 58.07 3iq5 h GLU 92 Cb 0.43 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3iq5 h GLU 92 CO 0.01 0.82 -0.29 0.37 -1.18 0.00 0.00 179.01 178.74 3iq5 h GLN 93 N 0.96 0.83 0.00 1.92 4.15 -1.04 -2.93 115.11 119.00 3iq5 h GLN 93 Ca 0.22 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.26 3iq5 h GLN 93 Cb 0.23 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.90 3iq5 h GLN 93 CO -0.01 1.02 0.00 1.47 -1.93 0.00 0.00 178.83 179.37 3iq5 n LEU 94 N -4.08 0.00 0.14 -2.39 -0.00 -0.79 -2.64 117.00 107.23 3iq5 n LEU 94 Ca -0.01 0.36 0.05 0.00 -0.00 0.00 0.00 56.01 56.42 3iq5 n LEU 94 Cb 0.48 -0.36 0.51 0.00 -0.00 0.00 0.00 43.42 44.05 3iq5 n LEU 94 CO 0.46 -0.16 1.07 0.11 -0.00 0.00 0.00 177.39 178.87 3iq5 h LYS 95 N 0.00 0.25 -0.12 1.47 1.57 -1.50 -1.24 116.57 117.00 3iq5 h LYS 95 Ca 0.00 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3iq5 h LYS 95 Cb 0.20 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3iq5 h LYS 95 CO 0.00 0.20 -0.18 0.00 -0.57 0.00 0.00 179.45 178.90 3iq5 h THR 97 N 0.18 1.23 -0.24 0.00 2.02 -1.44 0.18 112.91 114.85 3iq5 h THR 97 Ca 0.03 -0.75 0.06 0.00 0.77 0.00 0.00 66.41 66.53 3iq5 h THR 97 Cb 0.44 1.39 -0.06 0.00 -1.74 0.00 0.00 68.15 68.17 3iq5 h THR 97 CO 0.03 0.23 -0.16 0.00 0.37 0.00 0.00 175.52 175.98 3iq5 h ASN 99 N -0.15 0.87 -0.58 0.00 -0.26 -0.62 -2.12 115.58 112.72 3iq5 h ASN 99 Ca 0.13 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.85 3iq5 h ASN 99 Cb 0.36 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.39 3iq5 h ASN 99 CO -0.33 0.61 0.30 0.00 -1.06 0.00 0.00 177.43 176.94 3iq5 h ALA 100 N 1.33 0.74 -0.25 -0.83 0.00 -0.28 -1.14 119.26 118.83 3iq5 h ALA 100 Ca 0.32 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3iq5 h ALA 100 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3iq5 h ALA 100 CO -0.10 0.28 -0.47 0.00 0.00 0.00 0.00 179.25 178.96 3iq5 h HIS 102 N 0.53 0.65 -0.86 0.00 -0.00 -1.13 0.19 115.15 114.53 3iq5 h HIS 102 Ca 0.03 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.46 3iq5 h HIS 102 Cb 1.01 -0.21 -0.06 0.00 -0.00 0.00 0.00 27.41 28.15 3iq5 h HIS 102 CO 0.05 0.45 0.53 0.37 -0.00 0.00 0.00 177.93 179.33 3iq5 h GLN 103 N 0.66 0.93 0.09 2.45 5.75 -1.18 0.86 115.11 124.66 3iq5 h GLN 103 Ca 0.18 -0.06 -0.30 0.00 -0.15 0.00 0.00 58.65 58.32 3iq5 h GLN 103 Cb -0.01 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.31 3iq5 h GLN 103 CO -0.03 0.62 -1.54 0.87 -2.65 0.00 0.00 178.83 176.10 3iq5 h LYS 104 N 0.96 0.19 0.00 1.69 1.57 -1.34 -3.42 116.57 116.22 3iq5 h LYS 104 Ca 0.38 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3iq5 h LYS 104 Cb 0.19 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3iq5 h LYS 104 CO -0.18 1.02 0.00 0.66 -0.57 0.00 0.00 179.45 180.38 3iq5 n TYR 105 N -3.39 0.00 1.31 -1.35 0.53 0.63 -5.12 117.16 109.77 3iq5 n TYR 105 Ca -0.16 -0.00 0.13 0.00 -1.02 0.00 0.00 57.90 56.85 3iq5 n TYR 105 Cb 1.04 -0.00 0.36 0.00 -1.03 0.00 0.00 39.34 39.71 3iq5 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71