#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iq5 n ASP 2 N 0.00 1.01 -0.04 0.00 4.64 -1.26 -4.83 116.55 116.07 3iq5 n ASP 2 Ca 0.00 0.60 -0.11 0.00 -1.38 0.00 0.00 54.79 53.90 3iq5 n ASP 2 Cb 0.00 -1.50 0.02 0.00 -1.04 0.00 0.00 41.12 38.60 3iq5 n ASP 2 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 3iq5 h LEU 3 N -0.79 0.79 -1.14 -2.67 5.85 -1.98 -0.41 115.31 114.95 3iq5 h LEU 3 Ca -0.47 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 57.77 3iq5 h LEU 3 Cb 1.30 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3iq5 h LEU 3 CO 0.46 1.15 -0.33 -0.08 -0.34 0.00 0.00 178.44 179.30 3iq5 h GLU 4 N 0.56 0.17 -0.14 1.25 4.81 -1.99 -0.14 114.58 119.11 3iq5 h GLU 4 Ca 0.02 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 3iq5 h GLU 4 Cb 1.07 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3iq5 h GLU 4 CO 0.11 0.49 -0.39 -0.44 -0.73 0.00 0.00 179.01 178.05 3iq5 h ASP 5 N 0.15 0.58 -0.75 1.04 3.32 -1.81 -2.19 116.42 116.76 3iq5 h ASP 5 Ca 0.02 -0.59 -0.04 0.00 0.02 0.00 0.00 57.03 56.44 3iq5 h ASP 5 Cb 0.66 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 3iq5 h ASP 5 CO 0.05 1.07 0.30 0.78 -1.72 0.00 0.00 179.24 179.72 3iq5 h ASN 6 N 0.12 1.05 -0.51 6.45 2.35 -0.86 -1.90 115.58 122.28 3iq5 h ASN 6 Ca -0.01 -0.16 -0.08 0.00 -0.55 0.00 0.00 56.30 55.50 3iq5 h ASN 6 Cb 1.00 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 3iq5 h ASN 6 CO 0.08 0.93 0.03 0.24 -1.65 0.00 0.00 177.43 177.07 3iq5 h MET 7 N 1.11 0.93 -0.38 0.81 2.86 -1.02 0.12 114.93 119.35 3iq5 h MET 7 Ca 0.25 -0.26 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 3iq5 h MET 7 Cb 0.21 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3iq5 h MET 7 CO -0.02 0.90 -0.15 0.93 1.06 0.00 0.00 176.91 179.63 3iq5 h GLU 8 N 0.87 0.69 -0.27 1.72 4.39 -1.07 -0.51 114.58 120.40 3iq5 h GLU 8 Ca 0.17 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 3iq5 h GLU 8 Cb 0.46 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3iq5 h GLU 8 CO 0.02 0.81 0.04 1.15 -1.16 0.00 0.00 179.01 179.87 3iq5 h THR 9 N 0.62 1.23 0.20 1.13 2.02 -0.97 -0.08 112.91 117.07 3iq5 h THR 9 Ca 0.10 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.51 3iq5 h THR 9 Cb 0.61 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 3iq5 h THR 9 CO 0.04 0.25 -0.22 -0.07 0.37 0.00 0.00 175.52 175.90 3iq5 h LEU 10 N 0.25 -0.58 0.26 2.58 4.07 -0.64 -2.06 115.31 119.19 3iq5 h LEU 10 Ca 0.08 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 3iq5 h LEU 10 Cb 0.33 0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.27 3iq5 h LEU 10 CO 0.01 -0.32 -0.18 -1.13 -1.08 0.00 0.00 178.44 175.74 3iq5 h ASN 11 N -0.46 -0.47 -0.93 -0.43 -1.24 -1.05 -0.32 115.58 110.69 3iq5 h ASN 11 Ca 0.00 0.03 0.07 0.00 0.71 0.00 0.00 56.30 57.12 3iq5 h ASN 11 Cb 0.43 0.15 -0.07 0.00 0.73 0.00 0.00 38.32 39.56 3iq5 h ASN 11 CO -0.06 -0.29 0.58 0.44 -1.29 0.00 0.00 177.43 176.82 3iq5 h ASP 12 N -0.44 0.91 0.97 1.15 3.32 -0.99 -1.80 116.42 119.53 3iq5 h ASP 12 Ca -0.02 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3iq5 h ASP 12 Cb 0.38 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3iq5 h ASP 12 CO 0.00 0.57 -0.61 0.78 -1.72 0.00 0.00 179.24 178.26 3iq5 h ASN 13 N 1.04 0.00 -0.58 6.45 4.21 -1.18 -2.54 115.58 122.97 3iq5 h ASN 13 Ca 0.41 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.87 3iq5 h ASN 13 Cb 0.22 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.39 3iq5 h ASN 13 CO -0.19 0.61 0.18 0.25 -1.29 0.00 0.00 177.43 176.99 3iq5 h LEU 14 N 0.00 0.88 -0.87 1.61 5.85 -0.23 -1.87 115.31 120.68 3iq5 h LEU 14 Ca -0.01 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 3iq5 h LEU 14 Cb 1.25 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3iq5 h LEU 14 CO 0.08 0.83 -0.35 0.11 -0.34 0.00 0.00 178.44 178.77 3iq5 h LYS 15 N 0.91 0.41 -0.52 1.25 1.57 -1.09 -2.25 116.57 116.86 3iq5 h LYS 15 Ca 0.20 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 3iq5 h LYS 15 Cb 0.28 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 3iq5 h LYS 15 CO -0.01 0.71 -0.10 0.28 -0.57 0.00 0.00 179.45 179.76 3iq5 h VAL 16 N 0.35 1.27 -0.67 0.50 2.07 -1.05 -2.74 116.25 115.97 3iq5 h VAL 16 Ca 0.04 -1.23 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 3iq5 h VAL 16 Cb 0.79 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3iq5 h VAL 16 CO 0.06 0.43 0.22 0.40 0.02 0.00 0.00 177.57 178.70 3iq5 h ILE 17 N 0.86 1.25 -0.10 4.57 2.04 -1.03 0.23 117.51 125.32 3iq5 h ILE 17 Ca 0.14 -0.85 0.03 0.00 1.00 0.00 0.00 64.86 65.17 3iq5 h ILE 17 Cb 0.64 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3iq5 h ILE 17 CO 0.04 0.33 0.10 -0.33 0.00 0.00 0.00 178.15 178.30 3iq5 h GLU 18 N 0.97 0.00 -0.04 2.37 5.08 -1.13 -2.86 114.58 118.97 3iq5 h GLU 18 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3iq5 h GLU 18 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3iq5 h GLU 18 CO -0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.63 3iq5 n LYS 19 N -3.99 2.81 -0.55 2.33 4.01 -0.80 -5.08 118.16 116.90 3iq5 n LYS 19 Ca -0.00 -1.52 -0.30 0.00 -0.51 0.00 0.00 58.31 55.98 3iq5 n LYS 19 Cb 0.21 -1.03 0.22 0.00 -0.51 0.00 0.00 35.03 33.92 3iq5 n LYS 19 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3iq5 n ALA 20 N -0.37 -3.67 0.00 7.82 0.00 0.74 -4.97 120.51 120.06 3iq5 n ALA 20 Ca 0.01 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.15 3iq5 n ALA 20 Cb 0.26 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 -3.39 0.39 -3.46 0.00 10.43 -1.26 -5.07 116.55 114.18 3iq5 n ASP 21 Ca 0.02 -0.21 -0.11 0.00 2.57 0.00 0.00 54.79 57.06 3iq5 n ASP 21 Cb 0.58 0.50 -0.02 0.00 1.84 0.00 0.00 41.12 44.02 3iq5 n ASP 21 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3iq5 s ASN 22 N -0.57 -0.49 0.16 -2.24 2.20 -1.26 -5.06 114.94 107.67 3iq5 s ASN 22 Ca 0.00 -0.03 -0.26 0.00 -0.94 0.00 0.00 52.86 51.63 3iq5 s ASN 22 Cb 0.00 0.54 0.02 0.00 -2.00 0.00 0.00 41.25 39.81 3iq5 s ASN 22 CO 0.00 -0.88 1.57 0.00 -2.94 0.00 0.00 177.10 174.85 3iq5 h ALA 23 N 2.00 -0.36 -0.74 3.54 0.00 -1.91 -1.47 119.26 120.32 3iq5 h ALA 23 Ca -0.30 0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.83 3iq5 h ALA 23 Cb 1.29 0.94 -0.12 0.00 0.00 0.00 0.00 17.79 19.89 3iq5 h ALA 23 CO 0.35 -0.84 -0.27 0.00 0.00 0.00 0.00 179.25 178.50 3iq5 n ALA 24 N -3.12 -0.03 -0.07 0.00 0.00 -1.26 -0.01 120.51 116.02 3iq5 n ALA 24 Ca 0.01 0.76 -0.11 0.00 0.00 0.00 0.00 53.44 54.09 3iq5 n ALA 24 Cb 0.35 -0.36 -0.05 0.00 0.00 0.00 0.00 19.45 19.39 3iq5 n ALA 24 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3iq5 h GLN 25 N 0.00 0.36 -0.00 0.00 4.20 -1.70 -2.14 115.11 115.82 3iq5 h GLN 25 Ca 0.28 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 3iq5 h GLN 25 Cb 0.46 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 3iq5 h GLN 25 CO -0.74 0.52 0.00 0.28 -0.67 0.00 0.00 178.83 178.22 3iq5 h VAL 26 N 0.15 1.04 -0.71 -0.54 2.07 -0.07 -1.13 116.25 117.06 3iq5 h VAL 26 Ca 0.06 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.49 3iq5 h VAL 26 Cb 0.34 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 3iq5 h VAL 26 CO 0.01 0.03 0.47 0.50 0.02 0.00 0.00 177.57 178.60 3iq5 h LYS 27 N -0.05 0.83 -0.26 1.57 3.64 -0.58 0.75 116.57 122.48 3iq5 h LYS 27 Ca 0.00 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.15 3iq5 h LYS 27 Cb 0.05 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3iq5 h LYS 27 CO -0.00 0.55 -0.53 0.22 -2.27 0.00 0.00 179.45 177.42 3iq5 h ASP 28 N 0.86 0.92 -0.15 4.20 -0.00 -1.17 -1.40 116.42 119.68 3iq5 h ASP 28 Ca 0.28 -0.54 -0.01 0.00 -0.00 0.00 0.00 57.03 56.76 3iq5 h ASP 28 Cb 0.05 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 39.11 3iq5 h ASP 28 CO -0.08 1.29 0.04 0.00 -0.00 0.00 0.00 179.24 180.49 3iq5 h ALA 29 N 0.65 0.20 -0.39 -0.78 0.00 -0.42 -2.75 119.26 115.78 3iq5 h ALA 29 Ca 0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3iq5 h ALA 29 Cb 1.14 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3iq5 h ALA 29 CO 0.12 -0.17 0.04 -0.07 0.00 0.00 0.00 179.25 179.16 3iq5 h LEU 30 N 0.06 0.56 -0.76 0.00 3.38 -0.89 -1.93 115.31 115.73 3iq5 h LEU 30 Ca 0.05 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3iq5 h LEU 30 Cb 0.24 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3iq5 h LEU 30 CO -0.00 0.61 0.33 0.74 0.09 0.00 0.00 178.44 180.21 3iq5 h THR 31 N 0.58 1.25 -0.35 0.22 2.02 -1.14 0.15 112.91 115.63 3iq5 h THR 31 Ca 0.13 -0.75 -0.12 0.00 0.77 0.00 0.00 66.41 66.43 3iq5 h THR 31 Cb 0.31 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3iq5 h THR 31 CO 0.01 0.31 -0.27 0.11 0.37 0.00 0.00 175.52 176.04 3iq5 h LYS 32 N 1.08 0.73 -0.80 6.66 1.57 -1.17 -2.45 116.57 122.20 3iq5 h LYS 32 Ca 0.26 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3iq5 h LYS 32 Cb 0.17 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3iq5 h LYS 32 CO -0.03 0.92 0.33 0.52 -0.57 0.00 0.00 179.45 180.62 3iq5 h MET 33 N 0.62 1.18 -0.01 3.15 2.86 -0.74 -1.13 114.93 120.86 3iq5 h MET 33 Ca 0.08 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3iq5 h MET 33 Cb 0.78 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 3iq5 h MET 33 CO 0.06 0.94 -0.00 0.00 1.06 0.00 0.00 176.91 178.97 3iq5 h ALA 34 N 1.21 0.01 -0.43 6.32 0.00 -0.76 0.13 119.26 125.72 3iq5 h ALA 34 Ca 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3iq5 h ALA 34 Cb 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3iq5 h ALA 34 CO -0.02 -0.50 0.22 0.00 0.00 0.00 0.00 179.25 178.95 3iq5 h ALA 35 N 1.01 0.55 -0.13 0.00 0.00 -1.20 -0.12 119.26 119.37 3iq5 h ALA 35 Ca 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3iq5 h ALA 35 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3iq5 h ALA 35 CO -0.01 0.10 0.08 0.00 0.00 0.00 0.00 179.25 179.41 3iq5 h ALA 36 N 1.07 0.17 -0.21 0.00 0.00 -0.98 -1.39 119.26 117.91 3iq5 h ALA 36 Ca 0.15 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3iq5 h ALA 36 Cb 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3iq5 h ALA 36 CO -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 178.91 3iq5 h ALA 37 N 1.01 0.18 -0.94 0.00 0.00 -0.60 -0.94 119.26 117.98 3iq5 h ALA 37 Ca 0.05 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3iq5 h ALA 37 Cb 0.02 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3iq5 h ALA 37 CO -0.01 -0.43 0.60 0.00 0.00 0.00 0.00 179.25 179.42 3iq5 h ALA 38 N 1.18 1.27 -0.34 0.00 0.00 -0.68 -0.24 119.26 120.44 3iq5 h ALA 38 Ca 0.10 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3iq5 h ALA 38 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3iq5 h ALA 38 CO -0.16 0.43 -0.39 0.22 0.00 0.00 0.00 179.25 179.35 3iq5 h ASP 39 N 1.14 0.87 0.87 0.00 3.58 -0.96 -3.02 116.42 118.90 3iq5 h ASP 39 Ca 0.39 -0.39 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 3iq5 h ASP 39 Cb 0.08 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 3iq5 h ASP 39 CO -0.15 1.15 -0.22 0.00 -2.88 0.00 0.00 179.24 177.15 3iq5 h ALA 40 N 0.89 1.04 -1.11 -0.78 0.00 -0.73 -3.28 119.26 115.28 3iq5 h ALA 40 Ca 0.06 -0.20 0.32 0.00 0.00 0.00 0.00 54.91 55.08 3iq5 h ALA 40 Cb 0.95 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.60 3iq5 h ALA 40 CO 0.09 0.28 0.70 2.35 0.00 0.00 0.00 179.25 182.67 3iq5 h TRP 41 N 0.00 0.66 -0.61 0.00 2.91 -0.91 -1.50 115.95 116.50 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 0.72 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.18 3iq5 h TRP 41 CO 0.00 -0.03 0.00 -1.13 -1.03 0.00 0.00 178.44 176.25 3iq5 n SER 42 N -4.70 3.76 -4.85 2.65 3.41 -1.24 -4.70 113.62 107.95 3iq5 n SER 42 Ca 0.29 -1.99 -0.31 0.00 -0.26 0.00 0.00 58.87 56.60 3iq5 n SER 42 Cb 1.03 -0.40 0.02 0.00 -0.26 0.00 0.00 64.21 64.60 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 -1.15 2.97 -0.22 7.33 0.00 -0.57 -5.06 121.76 125.06 3iq5 s ALA 43 Ca 0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 3iq5 s ALA 43 Cb 0.24 -3.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.25 3iq5 s ALA 43 CO 0.32 -0.85 -0.06 0.99 0.00 0.00 0.00 175.76 176.16 3iq5 s THR 44 N -3.13 3.20 0.47 0.00 2.01 -1.26 -5.00 115.64 111.92 3iq5 s THR 44 Ca 0.56 -0.61 -0.21 0.00 0.31 0.00 0.00 61.69 61.74 3iq5 s THR 44 Cb -0.12 -2.48 -0.09 0.00 0.01 0.00 0.00 72.50 69.83 3iq5 s THR 44 CO 0.54 0.39 1.04 -2.16 -0.69 0.00 0.00 174.62 173.75 3iq5 s PRO 45 N 1.44 3.88 0.31 4.92 0.04 -1.26 -4.87 135.00 139.47 3iq5 s PRO 45 Ca 0.05 1.41 0.07 0.00 0.04 0.00 0.00 61.00 62.57 3iq5 s PRO 45 Cb -0.14 -2.20 0.87 0.00 0.04 0.00 0.00 34.50 33.06 3iq5 s PRO 45 CO -0.04 -0.37 1.65 -1.35 0.04 0.00 0.00 177.00 176.93 3iq5 h PRO 46 N 1.79 0.23 0.00 0.56 0.11 -1.99 0.20 132.00 132.89 3iq5 h PRO 46 Ca -0.49 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3iq5 h PRO 46 Cb 1.22 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3iq5 h PRO 46 CO 0.60 0.15 -0.01 -0.22 -0.21 0.00 0.00 178.00 178.31 3iq5 h LYS 47 N 0.24 0.00 -0.08 1.05 1.63 -1.91 -2.63 116.57 114.86 3iq5 h LYS 47 Ca 0.63 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.43 3iq5 h LYS 47 Cb 1.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.99 3iq5 h LYS 47 CO -0.66 0.01 0.00 1.28 -3.45 0.00 0.00 179.45 176.64 3iq5 n LEU 48 N -3.46 2.40 0.26 5.20 4.77 0.65 -4.75 117.00 122.07 3iq5 n LEU 48 Ca -0.03 -2.34 0.17 0.00 -0.03 0.00 0.00 56.01 53.79 3iq5 n LEU 48 Cb 0.10 -0.19 0.84 0.00 -2.33 0.00 0.00 43.42 41.85 3iq5 n LEU 48 CO 0.25 0.60 1.15 -0.33 -1.33 0.00 0.00 177.39 177.73 3iq5 h GLU 49 N 0.50 0.00 -0.27 3.23 5.08 -1.04 -0.99 114.58 121.08 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 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3iq5 h GLU 49 CO 0.02 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.78 3iq5 n ASP 50 N -3.21 2.91 -4.89 1.42 8.00 -1.26 -4.97 116.55 114.55 3iq5 n ASP 50 Ca 0.00 -1.85 -0.29 0.00 0.71 0.00 0.00 54.79 53.36 3iq5 n ASP 50 Cb 0.40 -0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.30 3iq5 n ASP 50 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3iq5 s LYS 51 N -1.21 3.68 0.38 -1.24 -0.14 -0.38 -5.04 119.74 115.79 3iq5 s LYS 51 Ca 0.28 0.35 -0.26 0.00 -1.36 0.00 0.00 55.97 54.97 3iq5 s LYS 51 Cb 0.16 -2.39 -0.09 0.00 -1.68 0.00 0.00 37.83 33.83 3iq5 s LYS 51 CO 0.23 -0.09 1.21 0.45 -0.76 0.00 0.00 175.35 176.38 3iq5 s SER 52 N -3.52 6.59 0.51 2.83 0.15 -1.26 -4.89 113.70 114.11 3iq5 s SER 52 Ca 0.49 2.45 0.23 0.00 0.70 0.00 0.00 55.95 59.83 3iq5 s SER 52 Cb -0.10 -2.63 1.34 0.00 -1.71 0.00 0.00 66.02 62.92 3iq5 s SER 52 CO 0.37 -0.64 2.00 -0.65 1.20 0.00 0.00 173.24 175.51 3iq5 h PRO 53 N 2.87 0.06 -0.07 5.44 0.11 -1.96 0.51 132.00 138.96 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 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3iq5 h PRO 53 CO 0.63 0.04 0.00 -0.25 -0.21 0.00 0.00 178.00 178.21 3iq5 n ASP 54 N -4.40 1.18 -4.57 -2.05 8.00 -1.26 -4.47 116.55 108.98 3iq5 n ASP 54 Ca 0.10 -1.52 -0.34 0.00 0.71 0.00 0.00 54.79 53.74 3iq5 n ASP 54 Cb 0.56 -0.04 0.11 0.00 -0.02 0.00 0.00 41.12 41.73 3iq5 n ASP 54 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3iq5 n SER 55 N -0.04 -0.24 -0.18 -2.24 3.41 0.18 -4.75 113.62 109.76 3iq5 n SER 55 Ca 0.18 0.52 -0.01 0.00 -0.26 0.00 0.00 58.87 59.30 3iq5 n SER 55 Cb 0.28 -1.37 0.22 0.00 -0.26 0.00 0.00 64.21 63.07 3iq5 n SER 55 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3iq5 h PRO 56 N -0.98 0.92 0.16 4.33 0.11 -1.92 -1.02 132.00 133.59 3iq5 h PRO 56 Ca -0.45 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 3iq5 h PRO 56 Cb 1.31 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3iq5 h PRO 56 CO 0.42 0.70 -0.08 0.93 -0.21 0.00 0.00 178.00 179.77 3iq5 h GLU 57 N 0.92 -0.21 -0.34 1.05 3.07 -1.92 0.24 114.58 117.39 3iq5 h GLU 57 Ca 0.23 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.06 3iq5 h GLU 57 Cb 0.08 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 3iq5 h GLU 57 CO -0.03 -0.14 0.02 0.52 -1.40 0.00 0.00 179.01 177.98 3iq5 h MET 58 N -0.22 0.51 -0.34 2.33 2.86 -1.78 0.15 114.93 118.45 3iq5 h MET 58 Ca -0.02 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 3iq5 h MET 58 Cb 0.17 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3iq5 h MET 58 CO 0.04 0.52 0.00 1.25 1.06 0.00 0.00 176.91 179.78 3iq5 h HIS 59 N 0.49 0.65 -0.45 -0.22 -0.00 -0.64 -1.58 115.15 113.41 3iq5 h HIS 59 Ca 0.11 -0.11 -0.08 0.00 -0.00 0.00 0.00 60.37 60.28 3iq5 h HIS 59 Cb 0.29 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 3iq5 h HIS 59 CO 0.01 0.71 -0.06 0.22 -0.00 0.00 0.00 177.93 178.81 3iq5 h ASP 60 N 0.41 0.75 -0.12 3.26 3.58 -0.07 -0.55 116.42 123.68 3iq5 h ASP 60 Ca 0.10 -0.20 0.01 0.00 0.42 0.00 0.00 57.03 57.35 3iq5 h ASP 60 Cb 0.45 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 3iq5 h ASP 60 CO 0.02 0.85 0.06 0.15 -2.88 0.00 0.00 179.24 177.44 3iq5 h PHE 61 N 0.71 0.11 -0.71 0.28 3.57 -0.53 -0.52 116.94 119.85 3iq5 h PHE 61 Ca 0.13 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 3iq5 h PHE 61 Cb 0.52 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 3iq5 h PHE 61 CO 0.03 0.07 0.18 0.00 -2.23 0.00 0.00 178.31 176.35 3iq5 h ARG 62 N 0.13 1.14 -0.91 1.11 3.08 -1.13 -2.49 114.38 115.31 3iq5 h ARG 62 Ca 0.05 -0.27 0.07 0.00 0.07 0.00 0.00 59.98 59.90 3iq5 h ARG 62 Cb 0.00 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 29.84 3iq5 h ARG 62 CO -0.03 0.99 0.59 1.25 -1.07 0.00 0.00 179.97 181.70 3iq5 h HIS 63 N 1.08 1.04 -0.37 3.04 2.76 -0.66 -1.26 115.15 120.79 3iq5 h HIS 63 Ca 0.23 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.47 3iq5 h HIS 63 Cb 0.36 -0.34 -0.04 0.00 1.55 0.00 0.00 27.41 28.94 3iq5 h HIS 63 CO 0.03 0.54 0.12 0.78 -1.30 0.00 0.00 177.93 178.10 3iq5 h GLY 64 N 1.02 0.46 1.89 5.26 0.00 -0.63 -0.34 103.07 110.73 3iq5 h GLY 64 Ca 0.39 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.56 3iq5 h GLY 64 CO -0.15 0.02 -0.39 0.74 0.00 0.00 0.00 176.54 176.76 3iq5 h PHE 65 N 0.27 0.15 -0.41 5.60 -1.00 -1.36 -0.31 116.94 119.88 3iq5 h PHE 65 Ca 0.17 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 3iq5 h PHE 65 Cb 0.15 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 3iq5 h PHE 65 CO -0.15 0.50 0.21 2.35 -1.61 0.00 0.00 178.31 179.61 3iq5 h TRP 66 N 0.11 0.59 -0.03 -0.55 7.01 -0.22 -0.40 115.95 122.46 3iq5 h TRP 66 Ca 0.01 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 3iq5 h TRP 66 Cb 0.74 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.62 3iq5 h TRP 66 CO 0.01 0.47 0.01 0.82 -2.79 0.00 0.00 178.44 176.96 3iq5 h ILE 67 N 0.53 1.09 -0.54 2.65 2.04 -0.80 -2.43 117.51 120.05 3iq5 h ILE 67 Ca 0.14 -0.25 0.07 0.00 1.00 0.00 0.00 64.86 65.82 3iq5 h ILE 67 Cb 0.10 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 3iq5 h ILE 67 CO -0.02 0.07 0.22 0.25 0.00 0.00 0.00 178.15 178.67 3iq5 h LEU 68 N -0.06 0.26 -0.90 1.44 5.85 -0.84 -0.87 115.31 120.19 3iq5 h LEU 68 Ca 0.01 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 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 0.17 0.55 0.40 -0.34 0.00 0.00 178.44 179.22 3iq5 h ILE 69 N 0.42 1.25 -0.30 4.05 2.04 -1.01 0.19 117.51 124.15 3iq5 h ILE 69 Ca 0.26 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 3iq5 h ILE 69 Cb 0.26 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 3iq5 h ILE 69 CO -0.24 0.26 0.08 1.23 0.00 0.00 0.00 178.15 179.48 3iq5 h GLY 70 N 1.24 0.51 1.22 5.37 0.00 -0.88 -0.35 103.07 110.17 3iq5 h GLY 70 Ca 0.32 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 3iq5 h GLY 70 CO -0.06 0.29 0.31 1.46 0.00 0.00 0.00 176.54 178.55 3iq5 h GLN 71 N 0.32 1.01 0.01 4.80 4.20 -0.68 -0.90 115.11 123.87 3iq5 h GLN 71 Ca 0.09 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3iq5 h GLN 71 Cb 0.28 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3iq5 h GLN 71 CO -0.00 0.80 -0.01 0.82 -0.67 0.00 0.00 178.83 179.77 3iq5 h ILE 72 N 1.00 1.15 -0.99 2.54 2.04 -0.38 -1.55 117.51 121.33 3iq5 h ILE 72 Ca 0.24 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 65.69 3iq5 h ILE 72 Cb 0.14 1.48 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 3iq5 h ILE 72 CO -0.03 0.13 0.64 0.45 0.00 0.00 0.00 178.15 179.33 3iq5 h HIS 73 N -0.22 1.16 -0.67 1.37 3.86 -0.78 0.92 115.15 120.79 3iq5 h HIS 73 Ca -0.00 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.16 3iq5 h HIS 73 Cb 0.22 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 3iq5 h HIS 73 CO -0.00 0.57 0.11 -0.44 0.86 0.00 0.00 177.93 179.02 3iq5 h ASP 74 N 1.11 1.06 0.15 2.45 3.45 -0.99 -0.49 116.42 123.16 3iq5 h ASP 74 Ca 0.44 -0.26 -0.12 0.00 0.43 0.00 0.00 57.03 57.52 3iq5 h ASP 74 Cb 0.25 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 3iq5 h ASP 74 CO -0.19 1.05 -0.43 0.00 -1.57 0.00 0.00 179.24 178.10 3iq5 h ALA 75 N 1.05 0.98 -0.32 3.45 0.00 -0.58 -2.22 119.26 121.62 3iq5 h ALA 75 Ca 0.20 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 3iq5 h ALA 75 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3iq5 h ALA 75 CO 0.01 0.63 -0.30 1.25 0.00 0.00 0.00 179.25 180.84 3iq5 h LEU 76 N 0.29 0.69 -0.44 0.00 5.85 -0.43 -0.51 115.31 120.77 3iq5 h LEU 76 Ca 0.02 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 3iq5 h LEU 76 Cb 0.88 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3iq5 h LEU 76 CO 0.07 0.95 0.14 -0.74 -0.34 0.00 0.00 178.44 178.52 3iq5 h HIS 77 N 0.57 0.71 -0.49 1.25 2.76 -0.78 0.33 115.15 119.49 3iq5 h HIS 77 Ca 0.07 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 3iq5 h HIS 77 Cb 0.80 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.53 3iq5 h HIS 77 CO 0.04 0.64 0.28 -0.07 -1.30 0.00 0.00 177.93 177.51 3iq5 h LEU 78 N 0.57 0.61 -0.23 0.26 3.38 -1.25 -1.56 115.31 117.10 3iq5 h LEU 78 Ca 0.14 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3iq5 h LEU 78 Cb 0.26 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3iq5 h LEU 78 CO -0.00 0.52 0.15 0.00 0.09 0.00 0.00 178.44 179.20 3iq5 h ALA 79 N 1.12 0.29 0.00 1.53 0.00 -0.69 -0.03 119.26 121.47 3iq5 h ALA 79 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3iq5 h ALA 79 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3iq5 h ALA 79 CO -0.03 -0.24 0.00 0.09 0.00 0.00 0.00 179.25 179.07 3iq5 n ASN 80 N -4.93 0.12 -1.51 0.00 4.13 0.11 -0.62 115.26 112.57 3iq5 n ASN 80 Ca -0.03 0.54 0.05 0.00 1.68 0.00 0.00 54.58 56.82 3iq5 n ASN 80 Cb 0.03 -0.57 0.32 0.00 -1.54 0.00 0.00 39.78 38.03 3iq5 n ASN 80 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3iq5 n GLU 81 N -1.65 3.81 -0.76 3.52 1.02 -0.50 -4.91 120.64 121.17 3iq5 n GLU 81 Ca 0.01 -3.04 0.00 0.00 -0.02 0.00 0.00 57.16 54.11 3iq5 n GLU 81 Cb 0.08 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.42 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 -0.03 0.40 3.04 0.62 0.00 0.21 -4.90 105.19 104.52 3iq5 n GLY 82 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.81 3.00 0.45 1.61 5.02 -0.14 -4.79 118.16 121.50 3iq5 n LYS 83 Ca 0.00 -2.89 -0.19 0.00 -2.02 0.00 0.00 58.31 53.21 3iq5 n LYS 83 Cb 0.04 -3.34 -0.09 0.00 -0.02 0.00 0.00 35.03 31.61 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 4.54 0.15 -1.00 -0.18 2.07 -1.85 0.17 116.25 120.15 3iq5 h VAL 84 Ca 0.52 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 68.10 3iq5 h VAL 84 Cb 0.72 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 3iq5 h VAL 84 CO 1.72 0.00 0.64 0.50 0.02 0.00 0.00 177.57 180.45 3iq5 h LYS 85 N -1.16 1.01 -0.25 1.57 3.64 -1.98 0.41 116.57 119.82 3iq5 h LYS 85 Ca -0.12 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.11 3iq5 h LYS 85 Cb 0.87 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3iq5 h LYS 85 CO 0.19 0.67 -0.20 0.93 -2.27 0.00 0.00 179.45 178.77 3iq5 h GLU 86 N 1.05 0.58 -0.61 1.90 5.08 -1.94 0.12 114.58 120.76 3iq5 h GLU 86 Ca 0.48 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 3iq5 h GLU 86 Cb 0.40 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 3iq5 h GLU 86 CO -0.24 0.88 0.33 0.00 -1.00 0.00 0.00 179.01 178.98 3iq5 h ALA 87 N 0.69 0.80 -0.32 3.43 0.00 0.39 0.42 119.26 124.67 3iq5 h ALA 87 Ca 0.05 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3iq5 h ALA 87 Cb 0.75 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3iq5 h ALA 87 CO 0.05 0.01 -0.19 1.96 0.00 0.00 0.00 179.25 181.08 3iq5 h GLN 88 N 0.63 0.59 -0.37 0.00 4.20 -0.06 -0.62 115.11 119.47 3iq5 h GLN 88 Ca 0.27 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 3iq5 h GLN 88 Cb 0.15 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3iq5 h GLN 88 CO -0.17 0.74 -0.23 0.00 -0.67 0.00 0.00 178.83 178.50 3iq5 h ALA 89 N 1.27 0.89 -0.52 3.87 0.00 0.10 -1.19 119.26 123.68 3iq5 h ALA 89 Ca 0.08 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 3iq5 h ALA 89 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3iq5 h ALA 89 CO 0.04 0.62 -0.09 0.00 0.00 0.00 0.00 179.25 179.83 3iq5 h ALA 90 N 1.09 0.84 -0.64 0.00 0.00 0.12 -2.21 119.26 118.47 3iq5 h ALA 90 Ca 0.09 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3iq5 h ALA 90 Cb 0.74 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3iq5 h ALA 90 CO 0.06 0.65 0.26 0.00 0.00 0.00 0.00 179.25 180.22 3iq5 h ALA 91 N 1.02 0.83 -0.56 0.00 0.00 -0.77 -1.35 119.26 118.43 3iq5 h ALA 91 Ca 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3iq5 h ALA 91 Cb 0.64 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3iq5 h ALA 91 CO 0.04 0.44 0.19 1.49 0.00 0.00 0.00 179.25 181.42 3iq5 h GLU 92 N 0.89 0.82 -0.46 0.00 4.57 -1.04 -2.93 114.58 116.43 3iq5 h GLU 92 Ca 0.21 -0.14 -0.14 0.00 -1.18 0.00 0.00 59.36 58.11 3iq5 h GLU 92 Cb 0.20 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 3iq5 h GLU 92 CO -0.02 0.70 -0.26 0.37 -1.18 0.00 0.00 179.01 178.62 3iq5 h GLN 93 N 0.81 0.98 0.00 1.92 4.15 -0.73 -2.99 115.11 119.25 3iq5 h GLN 93 Ca 0.19 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 59.16 3iq5 h GLN 93 Cb 0.20 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3iq5 h GLN 93 CO -0.01 1.12 0.00 1.47 -1.93 0.00 0.00 178.83 179.47 3iq5 n LEU 94 N -4.10 0.00 0.25 -2.39 -0.00 -0.58 -2.38 117.00 107.81 3iq5 n LEU 94 Ca -0.00 0.36 0.08 0.00 -0.00 0.00 0.00 56.01 56.45 3iq5 n LEU 94 Cb 0.48 -0.36 0.63 0.00 -0.00 0.00 0.00 43.42 44.18 3iq5 n LEU 94 CO 0.47 -0.18 1.01 0.11 -0.00 0.00 0.00 177.39 178.81 3iq5 h LYS 95 N 0.00 0.00 -0.20 1.47 1.57 -1.51 -1.30 116.57 116.60 3iq5 h LYS 95 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3iq5 h LYS 95 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3iq5 h LYS 95 CO 0.00 0.07 -0.04 0.00 -0.57 0.00 0.00 179.45 178.91 3iq5 h THR 97 N 0.29 1.31 0.12 0.00 2.02 -1.45 0.22 112.91 115.41 3iq5 h THR 97 Ca 0.06 -1.36 0.02 0.00 0.77 0.00 0.00 66.41 65.90 3iq5 h THR 97 Cb 0.27 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 3iq5 h THR 97 CO 0.01 0.43 -0.23 0.00 0.37 0.00 0.00 175.52 176.10 3iq5 h ASN 99 N -0.43 -0.04 -0.64 0.00 -0.26 -0.23 -1.47 115.58 112.52 3iq5 h ASN 99 Ca 0.03 0.11 -0.06 0.00 -0.56 0.00 0.00 56.30 55.82 3iq5 h ASN 99 Cb 0.45 0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.84 3iq5 h ASN 99 CO -0.12 -0.00 0.18 0.00 -1.06 0.00 0.00 177.43 176.42 3iq5 h ALA 100 N 1.45 0.84 -0.36 -0.83 0.00 -0.31 -1.35 119.26 118.71 3iq5 h ALA 100 Ca 0.29 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3iq5 h ALA 100 Cb 0.42 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3iq5 h ALA 100 CO -0.39 0.53 -0.35 0.00 0.00 0.00 0.00 179.25 179.04 3iq5 h HIS 102 N 0.69 0.63 -0.95 0.00 -0.00 -0.97 0.14 115.15 114.69 3iq5 h HIS 102 Ca 0.07 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.48 3iq5 h HIS 102 Cb 0.91 -0.20 -0.05 0.00 -0.00 0.00 0.00 27.41 28.07 3iq5 h HIS 102 CO 0.05 0.36 0.62 0.37 -0.00 0.00 0.00 177.93 179.34 3iq5 h GLN 103 N 0.67 1.20 0.25 2.45 5.75 -1.10 0.06 115.11 124.39 3iq5 h GLN 103 Ca 0.23 -0.07 -0.33 0.00 -0.15 0.00 0.00 58.65 58.32 3iq5 h GLN 103 Cb 0.02 -0.27 0.04 0.00 1.07 0.00 0.00 27.48 28.34 3iq5 h GLN 103 CO -0.10 0.79 -1.46 0.87 -2.65 0.00 0.00 178.83 176.28 3iq5 h LYS 104 N 1.23 0.52 0.00 1.69 1.57 -1.05 -3.42 116.57 117.11 3iq5 h LYS 104 Ca 0.37 -0.89 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3iq5 h LYS 104 Cb -0.05 0.33 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3iq5 h LYS 104 CO -0.11 1.43 0.00 0.66 -0.57 0.00 0.00 179.45 180.86 3iq5 n TYR 105 N -3.74 0.00 1.68 -1.35 4.02 0.44 -5.11 117.16 113.10 3iq5 n TYR 105 Ca -0.17 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 57.86 3iq5 n TYR 105 Cb 1.09 0.00 0.68 0.00 -0.02 0.00 0.00 39.34 41.09 3iq5 n TYR 105 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72