#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iq3 n SER 2 N 0.00 -2.87 -4.56 1.61 7.64 -1.26 -4.87 113.62 109.31 1iq3 n SER 2 Ca 0.00 -0.50 -0.32 0.00 1.01 0.00 0.00 58.87 59.06 1iq3 n SER 2 Cb 0.00 -4.32 -0.04 0.00 -1.01 0.00 0.00 64.21 58.84 1iq3 n SER 2 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1iq3 s LEU 3 N -5.76 3.24 0.12 -3.43 2.01 -1.26 -4.03 118.68 109.57 1iq3 s LEU 3 Ca 0.11 -0.52 0.00 0.00 0.01 0.00 0.00 54.13 53.73 1iq3 s LEU 3 Cb -0.05 -2.55 0.00 0.00 0.01 0.00 0.00 46.19 43.60 1iq3 s LEU 3 CO 0.60 -2.46 0.00 1.67 1.01 0.00 0.00 176.35 177.17 1iq3 n GLN 4 N 8.96 0.00 0.12 1.70 0.00 -1.26 -4.94 117.38 121.96 1iq3 n GLN 4 Ca 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 57.31 1iq3 n GLN 4 Cb 0.49 0.00 0.10 0.00 0.00 0.00 0.00 30.24 30.83 1iq3 n GLN 4 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1iq3 h ASP 5 N 0.00 0.00 -5.40 1.69 3.58 -1.95 -3.45 116.42 110.89 1iq3 h ASP 5 Ca 0.00 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.91 1iq3 h ASP 5 Cb 0.00 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 40.99 1iq3 h ASP 5 CO 0.00 0.69 -0.30 0.59 -2.88 0.00 0.00 179.24 177.34 1iq3 n ASN 6 N -3.63 2.78 0.00 2.28 3.02 -1.26 -5.05 115.26 113.40 1iq3 n ASN 6 Ca -0.01 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.74 1iq3 n ASN 6 Cb 0.70 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.93 1iq3 n ASN 6 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1iq3 n SER 7 N -1.69 0.00 0.05 6.41 3.41 -1.26 -4.95 113.62 115.59 1iq3 n SER 7 Ca -0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.37 1iq3 n SER 7 Cb 0.57 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.38 1iq3 n SER 7 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1iq3 h SER 8 N 0.00 0.37 -3.36 4.04 0.87 -2.02 -3.42 113.55 110.03 1iq3 h SER 8 Ca 0.00 -0.56 -0.61 0.00 -1.23 0.00 0.00 61.79 59.39 1iq3 h SER 8 Cb 0.00 -0.12 -0.40 0.00 -0.44 0.00 0.00 62.40 61.44 1iq3 h SER 8 CO 0.00 1.47 -0.73 -0.31 -0.53 0.00 0.00 176.83 176.74 1iq3 s TYR 9 N -2.61 2.29 1.11 2.24 2.02 -1.26 -5.11 117.35 116.03 1iq3 s TYR 9 Ca -0.10 -2.66 -0.13 0.00 -0.37 0.00 0.00 57.07 53.80 1iq3 s TYR 9 Cb 0.07 -2.01 0.21 0.00 -0.40 0.00 0.00 41.96 39.83 1iq3 s TYR 9 CO 0.84 -0.74 0.78 -2.30 -1.57 0.00 0.00 175.55 172.57 1iq3 n PRO 10 N 3.11 -1.80 -3.90 -1.71 -0.02 -1.26 -4.98 135.00 124.44 1iq3 n PRO 10 Ca 0.13 -0.49 -0.28 0.00 -2.02 0.00 0.00 63.50 60.84 1iq3 n PRO 10 Cb 0.36 -2.08 -0.12 0.00 -0.02 0.00 0.00 33.50 31.63 1iq3 n PRO 10 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1iq3 s ASP 11 N -2.30 4.79 0.05 2.55 1.01 -1.26 -4.90 116.67 116.61 1iq3 s ASP 11 Ca 0.65 -3.76 -0.15 0.00 0.71 0.00 0.00 52.55 50.00 1iq3 s ASP 11 Cb -0.22 -1.64 -0.29 0.00 1.01 0.00 0.00 42.92 41.78 1iq3 s ASP 11 CO 0.64 -0.10 1.10 -0.33 0.21 0.00 0.00 175.17 176.70 1iq3 h GLU 12 N 5.53 0.63 -1.00 8.23 5.08 -2.02 -3.28 114.58 127.75 1iq3 h GLU 12 Ca 0.12 -0.82 0.20 0.00 -1.00 0.00 0.00 59.36 57.85 1iq3 h GLU 12 Cb 0.77 0.27 -0.11 0.00 0.50 0.00 0.00 28.75 30.18 1iq3 h GLU 12 CO 0.72 1.37 0.61 -1.35 -1.00 0.00 0.00 179.01 179.36 1iq3 h PRO 13 N 0.27 0.71 -6.41 2.33 0.11 -1.99 -3.45 132.00 123.57 1iq3 h PRO 13 Ca -0.18 -0.04 -0.49 0.00 0.11 0.00 0.00 66.00 65.40 1iq3 h PRO 13 Cb 1.88 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.78 1iq3 h PRO 13 CO 0.23 0.47 -0.83 0.91 -0.21 0.00 0.00 178.00 178.57 1iq3 n TRP 14 N -4.75 -1.91 -3.67 0.65 5.03 -1.24 -4.58 117.44 106.97 1iq3 n TRP 14 Ca 0.23 0.82 0.00 0.00 3.03 0.00 0.00 57.50 61.59 1iq3 n TRP 14 Cb 0.59 -3.78 0.00 0.00 -1.03 0.00 0.00 31.31 27.09 1iq3 n TRP 14 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 1iq3 n ARG 15 N -4.45 0.00 0.00 -0.99 5.12 -1.26 -4.80 116.66 110.27 1iq3 n ARG 15 Ca -0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 1iq3 n ARG 15 Cb 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.90 1iq3 n ARG 15 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 1iq3 n ILE 16 N 0.00 0.00 -2.75 0.55 0.13 -1.26 -4.72 119.36 111.31 1iq3 n ILE 16 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 62.75 61.63 1iq3 n ILE 16 Cb 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 39.64 38.82 1iq3 n ILE 16 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1iq3 s THR 17 N 0.00 -0.44 -1.02 9.51 -1.32 -1.26 -4.92 115.64 116.20 1iq3 s THR 17 Ca 0.00 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 1iq3 s THR 17 Cb 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.99 1iq3 s THR 17 CO 0.00 0.00 0.00 -0.62 -2.21 0.00 0.00 174.62 171.79 1iq3 n GLU 18 N 3.02 -1.64 -0.02 7.08 -0.58 -1.26 -4.73 120.64 122.51 1iq3 n GLU 18 Ca 0.12 0.74 0.09 0.00 -0.42 0.00 0.00 57.16 57.69 1iq3 n GLU 18 Cb 0.62 -4.96 -0.16 0.00 -0.57 0.00 0.00 31.44 26.36 1iq3 n GLU 18 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1iq3 n GLU 19 N -0.85 0.65 0.00 3.49 1.02 -1.26 -4.43 120.64 119.25 1iq3 n GLU 19 Ca -0.10 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 1iq3 n GLU 19 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1iq3 n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iq3 n GLN 20 N -2.27 2.75 0.25 3.49 10.64 -1.26 -4.60 117.38 126.38 1iq3 n GLN 20 Ca -0.06 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.20 1iq3 n GLN 20 Cb 0.60 -0.90 0.64 0.00 -0.86 0.00 0.00 30.24 29.71 1iq3 n GLN 20 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1iq3 h ARG 21 N 0.00 0.00 0.02 2.61 1.12 -1.94 0.41 114.38 116.60 1iq3 h ARG 21 Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.65 1iq3 h ARG 21 Cb 0.62 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.58 1iq3 h ARG 21 CO 0.00 0.12 -0.96 0.93 -3.11 0.00 0.00 179.97 176.95 1iq3 h GLU 22 N 0.00 0.33 0.00 0.20 5.08 -1.83 -2.40 114.58 115.96 1iq3 h GLU 22 Ca -0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1iq3 h GLU 22 Cb 0.24 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1iq3 h GLU 22 CO 0.02 1.07 -0.21 -0.92 -1.00 0.00 0.00 179.01 177.97 1iq3 h TYR 23 N 0.17 0.00 0.18 4.33 5.03 -1.61 -2.95 116.97 122.12 1iq3 h TYR 23 Ca -0.08 0.00 -0.29 0.00 2.58 0.00 0.00 58.73 60.94 1iq3 h TYR 23 Cb 1.61 0.00 0.02 0.00 1.55 0.00 0.00 36.73 39.90 1iq3 h TYR 23 CO 0.05 0.00 -1.40 1.88 -1.32 0.00 0.00 178.16 177.38 1iq3 h TYR 24 N 0.00 0.68 0.00 -3.82 0.05 -0.92 -3.29 116.97 109.67 1iq3 h TYR 24 Ca 0.00 -0.50 -0.06 0.00 0.05 0.00 0.00 58.73 58.22 1iq3 h TYR 24 Cb 0.95 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.65 1iq3 h TYR 24 CO 0.00 1.54 -0.28 0.28 -1.05 0.00 0.00 178.16 178.65 1iq3 h VAL 25 N -0.09 0.76 0.00 -2.88 2.07 -1.52 -2.45 116.25 112.14 1iq3 h VAL 25 Ca -0.27 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.07 1iq3 h VAL 25 Cb 1.93 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1iq3 h VAL 25 CO 0.17 0.27 -0.07 -1.13 0.02 0.00 0.00 177.57 176.83 1iq3 h ASN 26 N 0.00 0.00 0.00 0.57 -0.00 -1.59 -2.77 115.58 111.79 1iq3 h ASN 26 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.19 1iq3 h ASN 26 Cb 0.71 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.01 1iq3 h ASN 26 CO 0.04 0.07 -0.62 -0.61 -0.00 0.00 0.00 177.43 176.31 1iq3 h GLN 27 N 0.00 0.00 -0.46 6.67 5.75 -1.54 -3.29 115.11 122.24 1iq3 h GLN 27 Ca -0.00 0.00 0.13 0.00 -0.15 0.00 0.00 58.65 58.63 1iq3 h GLN 27 Cb 0.29 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 1iq3 h GLN 27 CO 0.01 0.93 0.60 0.35 -2.65 0.00 0.00 178.83 178.07 1iq3 h PHE 28 N -1.00 0.00 -0.24 3.99 3.04 -1.45 0.24 116.94 121.51 1iq3 h PHE 28 Ca -0.17 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.69 1iq3 h PHE 28 Cb 1.09 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.60 1iq3 h PHE 28 CO 0.17 0.00 -0.21 -0.09 -2.02 0.00 0.00 178.31 176.16 1iq3 h ARG 29 N 0.00 0.56 -1.22 1.11 2.43 -1.56 -0.01 114.38 115.69 1iq3 h ARG 29 Ca 0.22 -0.29 0.36 0.00 -0.81 0.00 0.00 59.98 59.46 1iq3 h ARG 29 Cb 1.42 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.89 1iq3 h ARG 29 CO -0.00 0.87 0.82 0.77 -1.51 0.00 0.00 179.97 180.92 1iq3 h SER 30 N 0.27 0.24 0.47 -3.80 0.02 -0.61 0.64 113.55 110.77 1iq3 h SER 30 Ca 0.04 0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 60.88 1iq3 h SER 30 Cb 0.76 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 1iq3 h SER 30 CO 0.05 -0.02 -1.68 0.18 -1.14 0.00 0.00 176.83 174.23 1iq3 n LEU 31 N -4.48 0.58 -4.04 5.07 4.77 -1.09 -4.79 117.00 113.01 1iq3 n LEU 31 Ca 0.30 0.26 -0.31 0.00 -0.03 0.00 0.00 56.01 56.22 1iq3 n LEU 31 Cb 1.21 0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 42.29 1iq3 n LEU 31 CO 0.29 0.19 -0.47 -1.10 -1.33 0.00 0.00 177.39 174.98 1iq3 s GLN 32 N -2.92 2.23 0.24 3.23 -1.52 0.22 -4.99 119.66 116.15 1iq3 s GLN 32 Ca -0.05 -1.06 -0.07 0.00 -1.95 0.00 0.00 55.36 52.23 1iq3 s GLN 32 Cb 0.09 -2.65 0.25 0.00 -0.22 0.00 0.00 33.01 30.47 1iq3 s GLN 32 CO 0.83 -0.47 1.90 -1.00 -0.25 0.00 0.00 175.29 176.30 1iq3 h PRO 33 N 7.88 1.16 -6.83 2.91 0.13 -1.87 -3.38 132.00 132.01 1iq3 h PRO 33 Ca -0.26 -0.07 -0.56 0.00 -0.87 0.00 0.00 66.00 64.24 1iq3 h PRO 33 Cb 1.08 -0.26 0.12 0.00 0.13 0.00 0.00 31.00 32.07 1iq3 h PRO 33 CO 0.49 0.77 0.52 -0.25 -0.23 0.00 0.00 178.00 179.29 1iq3 n ASP 34 N -4.48 2.67 0.03 1.44 9.92 -1.26 -4.88 116.55 119.99 1iq3 n ASP 34 Ca 0.11 1.13 -0.01 0.00 -0.53 0.00 0.00 54.79 55.48 1iq3 n ASP 34 Cb 0.05 -1.51 0.28 0.00 -0.64 0.00 0.00 41.12 39.29 1iq3 n ASP 34 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1iq3 h PRO 35 N 2.19 0.45 -1.85 -0.24 0.13 -1.99 -3.39 132.00 127.30 1iq3 h PRO 35 Ca -0.48 -0.12 -0.37 0.00 -0.87 0.00 0.00 66.00 64.15 1iq3 h PRO 35 Cb 1.29 -0.05 -0.30 0.00 0.13 0.00 0.00 31.00 32.07 1iq3 h PRO 35 CO 0.60 0.58 -0.71 0.45 -0.23 0.00 0.00 178.00 178.69 1iq3 s SER 36 N -6.79 0.67 0.00 1.44 0.15 -1.26 -5.00 113.70 102.91 1iq3 s SER 36 Ca -0.07 -1.95 0.00 0.00 0.70 0.00 0.00 55.95 54.64 1iq3 s SER 36 Cb 0.15 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 65.07 1iq3 s SER 36 CO 0.77 -0.20 0.00 -1.54 1.20 0.00 0.00 173.24 173.47 1iq3 n SER 37 N 3.67 0.55 -4.34 5.45 3.41 -1.26 -4.94 113.62 116.16 1iq3 n SER 37 Ca 0.17 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.51 1iq3 n SER 37 Cb 0.48 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.30 1iq3 n SER 37 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1iq3 s PHE 38 N -0.06 2.06 0.06 7.33 -0.12 -1.26 -0.58 117.98 125.41 1iq3 s PHE 38 Ca 0.00 -0.40 -0.13 0.00 -0.05 0.00 0.00 56.93 56.35 1iq3 s PHE 38 Cb 0.00 -1.13 -0.06 0.00 -0.63 0.00 0.00 43.02 41.20 1iq3 s PHE 38 CO 0.00 0.26 0.43 0.42 -0.05 0.00 0.00 175.22 176.29 1iq3 s ILE 39 N -1.08 5.02 0.00 -4.49 1.01 -1.04 -4.88 121.20 115.74 1iq3 s ILE 39 Ca 0.10 0.69 0.28 0.00 0.00 0.00 0.00 60.65 61.72 1iq3 s ILE 39 Cb -0.10 -3.69 0.32 0.00 0.01 0.00 0.00 42.46 38.99 1iq3 s ILE 39 CO 0.05 0.40 1.84 0.28 0.00 0.00 0.00 174.94 177.51 1iq3 h SER 40 N 4.09 0.00 -5.00 3.58 0.02 -1.91 -0.22 113.55 114.11 1iq3 h SER 40 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1iq3 h SER 40 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1iq3 h SER 40 CO 0.64 0.10 0.00 0.61 -1.14 0.00 0.00 176.83 177.04 1iq3 n GLY 41 N 0.32 2.50 5.15 -3.77 0.00 -1.12 -3.14 105.19 105.12 1iq3 n GLY 41 Ca 0.01 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1iq3 n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iq3 n SER 42 N 0.00 0.00 -0.41 1.61 2.88 -1.26 -4.48 113.62 111.96 1iq3 n SER 42 Ca 0.00 0.00 0.35 0.00 -1.33 0.00 0.00 58.87 57.89 1iq3 n SER 42 Cb 0.00 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.08 1iq3 n SER 42 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1iq3 h VAL 43 N 0.00 0.10 0.13 2.46 2.07 -1.98 0.38 116.25 119.41 1iq3 h VAL 43 Ca 0.00 -0.03 -0.19 0.00 0.82 0.00 0.00 66.70 67.30 1iq3 h VAL 43 Cb 0.00 0.01 0.02 0.00 -1.52 0.00 0.00 31.29 29.80 1iq3 h VAL 43 CO 0.00 0.02 -0.86 0.00 0.02 0.00 0.00 177.57 176.74 1iq3 h ALA 44 N 1.71 -0.05 0.00 1.67 0.00 -1.99 -3.22 119.26 117.38 1iq3 h ALA 44 Ca 0.82 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1iq3 h ALA 44 Cb 2.44 0.16 0.00 0.00 0.00 0.00 0.00 17.79 20.38 1iq3 h ALA 44 CO -0.52 0.42 0.00 1.17 0.00 0.00 0.00 179.25 180.33 1iq3 n LYS 45 N -4.13 0.06 -0.03 0.00 4.81 0.11 -1.21 118.16 117.77 1iq3 n LYS 45 Ca -0.15 0.50 -0.13 0.00 -0.87 0.00 0.00 58.31 57.65 1iq3 n LYS 45 Cb 0.81 -1.66 -0.11 0.00 0.02 0.00 0.00 35.03 34.10 1iq3 n LYS 45 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1iq3 h ASN 46 N 0.00 -0.02 0.50 3.14 -1.24 -0.85 -3.31 115.58 113.79 1iq3 h ASN 46 Ca 0.00 -0.65 0.00 0.00 0.71 0.00 0.00 56.30 56.36 1iq3 h ASN 46 Cb 0.07 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1iq3 h ASN 46 CO 0.00 0.66 -0.53 2.22 -1.29 0.00 0.00 177.43 178.49 1iq3 n PHE 47 N -4.77 0.03 0.17 0.67 -1.74 -1.01 -3.94 117.46 106.87 1iq3 n PHE 47 Ca -0.09 0.01 0.10 0.00 -0.56 0.00 0.00 57.45 56.91 1iq3 n PHE 47 Cb 0.33 -0.26 0.52 0.00 1.52 0.00 0.00 39.48 41.59 1iq3 n PHE 47 CO 0.00 0.00 0.00 0.74 -0.56 0.00 0.00 176.76 176.94 1iq3 h PHE 48 N 0.00 0.00 -1.18 2.97 -1.00 -1.25 -3.36 116.94 113.12 1iq3 h PHE 48 Ca 0.00 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.20 1iq3 h PHE 48 Cb 0.52 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 39.98 1iq3 h PHE 48 CO 0.00 0.00 1.44 0.99 -1.61 0.00 0.00 178.31 179.13 1iq3 s THR 49 N -3.49 3.89 -0.15 -1.55 2.01 -1.25 -4.47 115.64 110.62 1iq3 s THR 49 Ca -0.02 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.36 1iq3 s THR 49 Cb 0.06 -5.01 0.13 0.00 0.01 0.00 0.00 72.50 67.69 1iq3 s THR 49 CO 0.17 -1.89 0.89 2.29 -0.69 0.00 0.00 174.62 175.39 1iq3 n LYS 50 N 8.92 0.45 0.14 4.92 2.85 -1.26 -5.04 118.16 129.14 1iq3 n LYS 50 Ca 0.31 -0.48 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 1iq3 n LYS 50 Cb 0.51 0.12 0.00 0.00 -0.65 0.00 0.00 35.03 35.01 1iq3 n LYS 50 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1iq3 n SER 51 N -0.52 -2.39 -0.46 -5.58 2.88 -1.26 -4.91 113.62 101.39 1iq3 n SER 51 Ca -0.08 0.53 0.38 0.00 -1.33 0.00 0.00 58.87 58.37 1iq3 n SER 51 Cb 0.64 2.41 0.66 0.00 -0.75 0.00 0.00 64.21 67.16 1iq3 n SER 51 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1iq3 h LYS 52 N 0.00 0.08 0.00 -1.46 3.11 -1.90 -3.43 116.57 112.97 1iq3 h LYS 52 Ca 0.00 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1iq3 h LYS 52 Cb 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1iq3 h LYS 52 CO 0.00 0.05 0.00 1.28 -2.81 0.00 0.00 179.45 177.97 1iq3 n LEU 53 N -4.63 0.00 -4.53 5.20 4.77 -1.26 -4.65 117.00 111.90 1iq3 n LEU 53 Ca 0.37 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.94 1iq3 n LEU 53 Cb 1.46 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.49 1iq3 n LEU 53 CO 0.23 0.00 1.98 -1.20 -1.33 0.00 0.00 177.39 177.07 1iq3 n SER 54 N 2.41 2.11 -2.04 -1.43 7.64 -1.26 -4.31 113.62 116.75 1iq3 n SER 54 Ca 0.00 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1iq3 n SER 54 Cb 0.00 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 61.79 1iq3 n SER 54 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1iq3 n ILE 55 N 7.72-10.01 -2.02 0.44 5.41 -1.26 -4.56 119.36 115.08 1iq3 n ILE 55 Ca 0.41 3.14 -0.27 0.00 1.00 0.00 0.00 62.75 67.04 1iq3 n ILE 55 Cb 0.38 -4.59 -0.06 0.00 -0.71 0.00 0.00 39.64 34.66 1iq3 n ILE 55 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1iq3 s PRO 56 N -1.25 2.38 -0.67 0.38 0.02 -1.26 -4.79 135.00 129.80 1iq3 s PRO 56 Ca 0.00 -0.94 -0.04 0.00 0.02 0.00 0.00 61.00 60.04 1iq3 s PRO 56 Cb 0.00 -5.19 0.11 0.00 0.02 0.00 0.00 34.50 29.44 1iq3 s PRO 56 CO 0.00 -4.02 2.61 0.39 -0.33 0.00 0.00 177.00 175.64 1iq3 n GLU 57 N 8.37 2.95 0.00 5.54 1.02 -1.26 -4.57 120.64 132.69 1iq3 n GLU 57 Ca 0.44 -2.74 0.13 0.00 -0.02 0.00 0.00 57.16 54.97 1iq3 n GLU 57 Cb 0.47 -2.26 0.75 0.00 -0.02 0.00 0.00 31.44 30.38 1iq3 n GLU 57 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1iq3 n LEU 58 N 0.88 0.00 0.05 -4.62 4.77 -1.26 -3.50 117.00 113.32 1iq3 n LEU 58 Ca 0.52 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.48 1iq3 n LEU 58 Cb 0.46 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.78 1iq3 n LEU 58 CO 0.42 0.00 0.74 -1.28 -1.33 0.00 0.00 177.39 175.94 1iq3 h SER 59 N 0.00 0.40 0.60 -1.43 0.87 -2.00 -1.90 113.55 110.09 1iq3 h SER 59 Ca 0.00 -0.13 -0.27 0.00 -1.23 0.00 0.00 61.79 60.15 1iq3 h SER 59 Cb 0.00 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.81 1iq3 h SER 59 CO 0.00 0.66 -1.51 0.10 -0.53 0.00 0.00 176.83 175.54 1iq3 h TYR 60 N 0.35 0.07 0.16 2.24 -0.00 -1.97 -2.47 116.97 115.36 1iq3 h TYR 60 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 1iq3 h TYR 60 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.37 1iq3 h TYR 60 CO 0.02 1.08 -0.08 0.82 -0.00 0.00 0.00 178.16 180.00 1iq3 h ILE 61 N 0.01 0.96 -0.19 -0.90 1.08 -1.68 -2.58 117.51 114.22 1iq3 h ILE 61 Ca -0.21 -0.59 -0.14 0.00 -0.39 0.00 0.00 64.86 63.53 1iq3 h ILE 61 Cb 1.95 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 37.01 1iq3 h ILE 61 CO 0.10 0.14 -0.49 -0.25 -0.69 0.00 0.00 178.15 176.96 1iq3 h TRP 62 N -0.50 0.61 -0.12 1.37 2.91 -1.50 -2.43 115.95 116.29 1iq3 h TRP 62 Ca -0.02 -0.20 0.04 0.00 1.13 0.00 0.00 58.89 59.83 1iq3 h TRP 62 Cb 0.39 -0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 28.91 1iq3 h TRP 62 CO 0.02 0.89 0.15 0.93 -1.03 0.00 0.00 178.44 179.41 1iq3 h GLU 63 N 0.40 0.00 0.00 2.65 4.39 -1.37 0.24 114.58 120.89 1iq3 h GLU 63 Ca 0.02 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 1iq3 h GLU 63 Cb 1.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1iq3 h GLU 63 CO 0.09 0.00 -1.58 1.28 -1.16 0.00 0.00 179.01 177.65 1iq3 n LEU 64 N -3.71 0.56 0.11 1.33 4.77 -0.98 -4.11 117.00 114.97 1iq3 n LEU 64 Ca 0.00 0.24 -0.02 0.00 -0.03 0.00 0.00 56.01 56.20 1iq3 n LEU 64 Cb 0.26 0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1iq3 n LEU 64 CO 0.26 0.09 0.36 -1.28 -1.33 0.00 0.00 177.39 175.48 1iq3 h SER 65 N 0.00 0.00 -4.26 -1.43 0.87 -0.53 -3.45 113.55 104.75 1iq3 h SER 65 Ca -0.14 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.84 1iq3 h SER 65 Cb 1.42 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 63.13 1iq3 h SER 65 CO 0.02 0.73 -0.84 -0.62 -0.53 0.00 0.00 176.83 175.60 1iq3 s ASP 66 N -6.66 2.48 -0.46 6.23 -1.08 -0.58 -4.81 116.67 111.79 1iq3 s ASP 66 Ca 0.01 -0.56 0.07 0.00 -0.52 0.00 0.00 52.55 51.55 1iq3 s ASP 66 Cb 0.10 -0.19 0.28 0.00 -1.46 0.00 0.00 42.92 41.65 1iq3 s ASP 66 CO 0.77 0.14 0.92 0.00 0.52 0.00 0.00 175.17 177.52 1iq3 n ALA 67 N 1.68 -0.59 -1.58 3.66 0.00 -1.26 -4.73 120.51 117.70 1iq3 n ALA 67 Ca -0.18 -1.76 -0.02 0.00 0.00 0.00 0.00 53.44 51.49 1iq3 n ALA 67 Cb 0.53 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 1iq3 n ALA 67 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1iq3 n ASP 68 N 1.10 -0.24 -3.04 0.00 5.75 -1.26 -4.96 116.55 113.89 1iq3 n ASP 68 Ca 0.10 -0.56 -0.11 0.00 -0.01 0.00 0.00 54.79 54.21 1iq3 n ASP 68 Cb 0.65 0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.79 1iq3 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iq3 h ASP 70 N -0.23 0.04 0.00 0.00 3.58 -1.98 -3.47 116.42 114.35 1iq3 h ASP 70 Ca -0.16 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1iq3 h ASP 70 Cb 1.10 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1iq3 h ASP 70 CO 0.24 1.07 0.00 0.61 -2.88 0.00 0.00 179.24 178.28 1iq3 n GLY 71 N 1.58 2.75 3.62 -0.78 0.00 -1.26 -4.99 105.19 106.11 1iq3 n GLY 71 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 1iq3 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iq3 s ALA 72 N -2.57 3.12 -0.29 4.61 0.00 -1.19 -2.80 121.76 122.64 1iq3 s ALA 72 Ca 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 51.96 50.25 1iq3 s ALA 72 Cb 0.00 -0.70 0.10 0.00 0.00 0.00 0.00 23.12 22.52 1iq3 s ALA 72 CO 0.00 0.26 0.10 -0.51 0.00 0.00 0.00 175.76 175.61 1iq3 s LEU 73 N -3.66 1.66 1.04 0.00 1.02 -0.09 -4.91 118.68 113.74 1iq3 s LEU 73 Ca 0.31 -1.47 -0.23 0.00 0.02 0.00 0.00 54.13 52.76 1iq3 s LEU 73 Cb -0.06 -0.69 -0.06 0.00 0.02 0.00 0.00 46.19 45.40 1iq3 s LEU 73 CO 0.19 -0.41 -0.82 0.35 0.02 0.00 0.00 176.35 175.68 1iq3 n THR 74 N 4.98 0.00 -0.19 5.49 -2.24 -1.26 -2.50 114.28 118.56 1iq3 n THR 74 Ca -0.04 -0.12 -0.01 0.00 -2.27 0.00 0.00 64.05 61.61 1iq3 n THR 74 Cb 0.42 -0.26 0.09 0.00 -2.10 0.00 0.00 70.33 68.49 1iq3 n THR 74 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1iq3 h LEU 75 N -1.53 0.15 -1.84 3.22 5.85 -1.21 0.21 115.31 120.16 1iq3 h LEU 75 Ca -0.43 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.43 1iq3 h LEU 75 Cb 1.32 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 1iq3 h LEU 75 CO 0.27 0.10 0.25 -0.65 -0.34 0.00 0.00 178.44 178.07 1iq3 h PRO 76 N 0.35 0.19 -0.04 5.25 0.11 -1.86 -0.74 132.00 135.26 1iq3 h PRO 76 Ca 0.29 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 66.20 1iq3 h PRO 76 Cb 0.37 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1iq3 h PRO 76 CO -0.31 0.13 -0.78 0.93 -0.21 0.00 0.00 178.00 177.75 1iq3 h GLU 77 N 0.20 0.32 0.00 1.05 5.08 -0.85 -3.07 114.58 117.31 1iq3 h GLU 77 Ca 0.16 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1iq3 h GLU 77 Cb 0.39 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1iq3 h GLU 77 CO -0.03 0.95 -0.17 0.35 -1.00 0.00 0.00 179.01 179.12 1iq3 h PHE 78 N 0.20 0.00 0.42 4.33 3.04 -0.15 -3.04 116.94 121.75 1iq3 h PHE 78 Ca -0.04 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 1iq3 h PHE 78 Cb 1.37 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.88 1iq3 h PHE 78 CO 0.04 0.17 -0.27 0.00 -2.02 0.00 0.00 178.31 176.22 1iq3 h ALA 80 N -0.14 1.10 0.24 0.00 0.00 -1.68 -2.76 119.26 116.01 1iq3 h ALA 80 Ca -0.04 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1iq3 h ALA 80 Cb 0.56 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1iq3 h ALA 80 CO 0.03 0.61 -0.46 0.00 0.00 0.00 0.00 179.25 179.43 1iq3 h ALA 81 N 1.39 -1.01 0.00 0.00 0.00 -1.36 -0.88 119.26 117.40 1iq3 h ALA 81 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1iq3 h ALA 81 Cb 0.85 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1iq3 h ALA 81 CO 0.07 -1.09 0.00 0.35 0.00 0.00 0.00 179.25 178.58 1iq3 h PHE 82 N -0.75 0.00 0.00 0.00 3.57 -1.52 -2.47 116.94 115.77 1iq3 h PHE 82 Ca -0.03 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1iq3 h PHE 82 Cb 0.71 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 1iq3 h PHE 82 CO -0.36 0.00 -0.12 0.45 -2.23 0.00 0.00 178.31 176.05 1iq3 h HIS 83 N 0.00 0.00 0.00 0.41 3.86 -0.87 -3.17 115.15 115.38 1iq3 h HIS 83 Ca 0.00 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.85 1iq3 h HIS 83 Cb 0.37 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.78 1iq3 h HIS 83 CO 0.00 0.12 -1.95 1.28 0.86 0.00 0.00 177.93 178.24 1iq3 n LEU 84 N -3.24 1.95 -0.20 2.43 4.77 -0.90 -3.30 117.00 118.51 1iq3 n LEU 84 Ca 0.01 0.37 -0.05 0.00 -0.03 0.00 0.00 56.01 56.30 1iq3 n LEU 84 Cb 0.39 -0.90 0.01 0.00 -2.33 0.00 0.00 43.42 40.59 1iq3 n LEU 84 CO 0.31 0.45 0.63 0.40 -1.33 0.00 0.00 177.39 177.86 1iq3 h ILE 85 N -0.96 0.18 0.00 -0.08 5.03 -1.62 0.42 117.51 120.48 1iq3 h ILE 85 Ca -0.54 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.16 1iq3 h ILE 85 Cb 1.49 0.18 -0.01 0.00 -3.03 0.00 0.00 36.82 35.46 1iq3 h ILE 85 CO -0.31 0.00 -0.20 0.58 -0.68 0.00 0.00 178.15 177.53 1iq3 h VAL 86 N -0.16 0.48 0.00 1.67 2.07 -1.76 -2.89 116.25 115.66 1iq3 h VAL 86 Ca 0.23 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1iq3 h VAL 86 Cb 0.55 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1iq3 h VAL 86 CO -0.67 0.20 0.12 0.00 0.02 0.00 0.00 177.57 177.24 1iq3 h ALA 87 N 1.80 1.08 -0.17 1.67 0.00 -0.14 -3.04 119.26 120.46 1iq3 h ALA 87 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iq3 h ALA 87 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1iq3 h ALA 87 CO 0.03 -0.08 0.00 -2.13 0.00 0.00 0.00 179.25 177.06 1iq3 n ARG 88 N -2.26 0.00 0.23 0.00 3.00 -1.09 -1.39 116.66 115.16 1iq3 n ARG 88 Ca -0.01 0.47 -0.12 0.00 -0.00 0.00 0.00 57.85 58.19 1iq3 n ARG 88 Cb 0.15 -1.42 -0.06 0.00 0.00 0.00 0.00 32.46 31.13 1iq3 n ARG 88 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1iq3 h LYS 89 N 0.00 -0.68 -0.99 -0.14 1.79 -1.78 -1.32 116.57 113.45 1iq3 h LYS 89 Ca 0.00 0.05 0.29 0.00 -2.18 0.00 0.00 60.65 58.80 1iq3 h LYS 89 Cb 0.00 0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 1iq3 h LYS 89 CO 0.00 -0.45 1.03 -0.91 -1.08 0.00 0.00 179.45 178.04 1iq3 h ASN 90 N -0.71 0.00 -0.26 0.86 4.21 -1.68 -3.43 115.58 114.57 1iq3 h ASN 90 Ca -0.06 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.39 1iq3 h ASN 90 Cb 0.59 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.77 1iq3 h ASN 90 CO 0.02 0.00 -0.07 0.61 -1.29 0.00 0.00 177.43 176.70 1iq3 n GLY 91 N -1.69 0.47 3.38 2.83 0.00 -0.48 -4.89 105.19 104.81 1iq3 n GLY 91 Ca 0.22 -0.87 -0.57 0.00 0.00 0.00 0.00 46.02 44.80 1iq3 n GLY 91 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1iq3 n TYR 92 N -3.34 1.42 -2.41 1.61 4.19 -0.50 -4.79 117.16 113.34 1iq3 n TYR 92 Ca -0.03 0.60 -0.38 0.00 3.31 0.00 0.00 57.90 61.40 1iq3 n TYR 92 Cb 0.27 -2.38 -0.03 0.00 0.49 0.00 0.00 39.34 37.68 1iq3 n TYR 92 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1iq3 s PRO 93 N 5.71 3.22 -0.14 2.98 0.04 -1.26 -4.94 135.00 140.61 1iq3 s PRO 93 Ca 1.14 -0.64 0.02 0.00 0.04 0.00 0.00 61.00 61.55 1iq3 s PRO 93 Cb -1.25 -4.99 0.01 0.00 0.04 0.00 0.00 34.50 28.32 1iq3 s PRO 93 CO 0.61 -2.48 -0.19 -0.48 0.04 0.00 0.00 177.00 174.51 1iq3 s LEU 94 N 6.50 1.94 0.60 -3.56 0.05 -1.26 -4.98 118.68 117.96 1iq3 s LEU 94 Ca 0.50 -0.54 0.30 0.00 0.05 0.00 0.00 54.13 54.44 1iq3 s LEU 94 Cb -0.04 -1.31 1.70 0.00 -2.05 0.00 0.00 46.19 44.49 1iq3 s LEU 94 CO -0.01 0.03 2.10 -0.65 -0.55 0.00 0.00 176.35 177.28 1iq3 h PRO 95 N 7.54 0.00 0.00 1.48 0.11 -2.04 -3.42 132.00 135.67 1iq3 h PRO 95 Ca -0.35 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.51 1iq3 h PRO 95 Cb 1.17 0.00 0.14 0.00 0.11 0.00 0.00 31.00 32.42 1iq3 h PRO 95 CO 0.54 0.00 -0.04 -1.91 -0.21 0.00 0.00 178.00 176.38 1iq3 n GLU 96 N -3.71 -3.33 0.00 1.05 2.13 -1.26 -4.47 120.64 111.05 1iq3 n GLU 96 Ca 0.01 -1.04 0.00 0.00 0.66 0.00 0.00 57.16 56.80 1iq3 n GLU 96 Cb 0.32 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 30.85 1iq3 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1iq3 n GLY 97 N -3.22 0.52 3.42 8.31 0.00 -1.26 -4.55 105.19 108.41 1iq3 n GLY 97 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 1iq3 n GLY 97 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1iq3 n LEU 98 N 0.00 -3.91 -4.53 0.99 0.00 -1.26 -4.97 117.00 103.32 1iq3 n LEU 98 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 56.01 55.12 1iq3 n LEU 98 Cb 0.00 -3.08 0.24 0.00 0.00 0.00 0.00 43.42 40.58 1iq3 n LEU 98 CO 0.00 0.42 0.55 -2.16 0.00 0.00 0.00 177.39 176.20 1iq3 s PRO 99 N -5.49 -0.88 -1.01 1.96 0.04 -1.26 -4.80 135.00 123.55 1iq3 s PRO 99 Ca 0.09 0.52 -0.25 0.00 0.04 0.00 0.00 61.00 61.40 1iq3 s PRO 99 Cb -0.04 -1.58 -0.14 0.00 0.04 0.00 0.00 34.50 32.77 1iq3 s PRO 99 CO 0.72 -3.62 2.11 -1.25 0.04 0.00 0.00 177.00 175.00 1iq3 s PRO 100 N -4.79 1.82 -0.03 0.56 0.04 -1.26 -4.07 135.00 127.26 1iq3 s PRO 100 Ca 0.68 -0.38 0.01 0.00 0.04 0.00 0.00 61.00 61.35 1iq3 s PRO 100 Cb -0.20 -5.02 0.04 0.00 0.04 0.00 0.00 34.50 29.36 1iq3 s PRO 100 CO 0.61 -4.55 0.44 -2.37 0.04 0.00 0.00 177.00 171.17 1iq3 n THR 101 N 8.49 0.00 0.04 1.26 5.66 -1.26 -5.04 114.28 123.43 1iq3 n THR 101 Ca 0.43 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 61.34 1iq3 n THR 101 Cb 0.46 0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.56 1iq3 n THR 101 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1iq3 n LEU 102 N -0.15 0.63 -3.58 1.09 7.94 -1.26 -5.14 117.00 116.53 1iq3 n LEU 102 Ca -0.06 0.13 -0.06 0.00 -1.11 0.00 0.00 56.01 54.91 1iq3 n LEU 102 Cb 0.45 -0.15 -0.03 0.00 0.53 0.00 0.00 43.42 44.22 1iq3 n LEU 102 CO -0.04 -0.68 0.91 0.00 -1.11 0.00 0.00 177.39 176.47 1iq3 s GLN 103 N -1.68 0.44 -1.16 1.96 -2.07 -1.26 -5.06 119.66 110.82 1iq3 s GLN 103 Ca 0.00 -0.05 -0.21 0.00 -1.82 0.00 0.00 55.36 53.27 1iq3 s GLN 103 Cb 0.00 0.20 -0.06 0.00 -1.09 0.00 0.00 33.01 32.06 1iq3 s GLN 103 CO 0.00 -0.17 1.90 -0.35 -1.32 0.00 0.00 175.29 175.35 1iq3 n PRO 104 N 0.21 1.97 -4.02 9.60 -0.04 -1.26 -4.43 135.00 137.03 1iq3 n PRO 104 Ca -0.04 -2.56 -0.42 0.00 -0.04 0.00 0.00 63.50 60.44 1iq3 n PRO 104 Cb 0.59 -3.55 0.02 0.00 -0.04 0.00 0.00 33.50 30.52 1iq3 n PRO 104 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1iq3 n GLU 105 N 8.03 -0.45 -4.31 0.54 0.00 -1.26 -0.23 120.64 122.96 1iq3 n GLU 105 Ca 0.47 0.16 -0.32 0.00 0.00 0.00 0.00 57.16 57.47 1iq3 n GLU 105 Cb 0.45 -2.27 -0.09 0.00 0.00 0.00 0.00 31.44 29.53 1iq3 n GLU 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1iq3 n PHE 106 N -4.51 -1.27 0.00 4.31 3.01 -1.26 -4.87 117.46 112.87 1iq3 n PHE 106 Ca -0.15 0.59 0.00 0.00 1.01 0.00 0.00 57.45 58.90 1iq3 n PHE 106 Cb 0.56 -2.81 0.00 0.00 -0.01 0.00 0.00 39.48 37.23 1iq3 n PHE 106 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1iq3 n ILE 107 N -4.61 0.00 -4.08 4.37 5.41 0.68 -5.06 119.36 116.08 1iq3 n ILE 107 Ca -0.32 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.17 1iq3 n ILE 107 Cb 0.69 -0.73 -0.05 0.00 -0.71 0.00 0.00 39.64 38.84 1iq3 n ILE 107 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1iq3 s VAL 108 N 0.00 4.54 -0.32 1.39 1.01 -1.26 -5.04 120.40 120.71 1iq3 s VAL 108 Ca 0.00 -1.08 0.17 0.00 0.00 0.00 0.00 61.98 61.07 1iq3 s VAL 108 Cb 0.00 -3.33 0.45 0.00 0.00 0.00 0.00 36.38 33.50 1iq3 s VAL 108 CO 0.00 -0.13 1.09 0.35 0.00 0.00 0.00 175.10 176.42 1iq3 n THR 109 N -0.43 0.80 -1.81 3.92 -2.24 -1.26 -4.60 114.28 108.65 1iq3 n THR 109 Ca -0.08 -2.61 0.00 0.00 -2.27 0.00 0.00 64.05 59.09 1iq3 n THR 109 Cb 0.55 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1iq3 n THR 109 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97