#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iq3 s SER 2 N 0.00 -0.23 -1.09 1.61 0.15 -1.26 -4.84 113.70 108.05 1iq3 s SER 2 Ca 0.00 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1iq3 s SER 2 Cb 0.00 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1iq3 s SER 2 CO 0.00 -0.20 0.00 -0.11 1.20 0.00 0.00 173.24 174.13 1iq3 n LEU 3 N 2.41 -0.45 0.00 3.45 7.94 -1.26 -4.87 117.00 124.22 1iq3 n LEU 3 Ca -0.16 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 1iq3 n LEU 3 Cb 0.57 -2.25 0.00 0.00 0.53 0.00 0.00 43.42 42.27 1iq3 n LEU 3 CO 0.19 -0.83 0.00 0.00 -1.11 0.00 0.00 177.39 175.64 1iq3 n GLN 4 N -1.53 0.00 -2.79 1.96 1.13 -1.26 -5.07 117.38 109.82 1iq3 n GLN 4 Ca -0.10 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 54.94 1iq3 n GLN 4 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.84 1iq3 n GLN 4 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1iq3 n ASP 5 N -0.16 -7.89 -4.68 1.08 8.00 -1.26 -4.78 116.55 106.87 1iq3 n ASP 5 Ca 0.00 1.20 -0.45 0.00 0.71 0.00 0.00 54.79 56.25 1iq3 n ASP 5 Cb 0.00 -4.99 -0.04 0.00 -0.02 0.00 0.00 41.12 36.07 1iq3 n ASP 5 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1iq3 n ASN 6 N 0.60 3.76 -4.70 -2.24 3.02 -1.26 -4.80 115.26 109.65 1iq3 n ASN 6 Ca 0.02 0.96 -0.62 0.00 -0.03 0.00 0.00 54.58 54.90 1iq3 n ASN 6 Cb 0.12 -1.46 -0.09 0.00 -0.61 0.00 0.00 39.78 37.75 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 6.51 1.78 -3.25 6.41 3.41 -1.26 -4.89 113.62 122.31 1iq3 n SER 7 Ca 0.21 1.08 -0.05 0.00 -0.26 0.00 0.00 58.87 59.85 1iq3 n SER 7 Cb 0.34 -1.02 -0.03 0.00 -0.26 0.00 0.00 64.21 63.24 1iq3 n SER 7 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1iq3 s SER 8 N 3.57 -0.49 1.15 4.04 0.01 -1.26 -5.15 113.70 115.56 1iq3 s SER 8 Ca 1.03 -0.59 -0.17 0.00 1.31 0.00 0.00 55.95 57.53 1iq3 s SER 8 Cb -1.28 1.47 0.26 0.00 0.21 0.00 0.00 66.02 66.68 1iq3 s SER 8 CO 0.73 -0.27 1.09 -0.31 0.41 0.00 0.00 173.24 174.88 1iq3 s TYR 9 N 2.20 1.00 0.00 2.43 1.51 -1.26 -5.02 117.35 118.21 1iq3 s TYR 9 Ca 0.13 0.70 0.00 0.00 -1.01 0.00 0.00 57.07 56.88 1iq3 s TYR 9 Cb -0.10 -3.33 0.00 0.00 -0.11 0.00 0.00 41.96 38.42 1iq3 s TYR 9 CO -0.18 -3.65 0.00 -2.30 -1.11 0.00 0.00 175.55 168.32 1iq3 n PRO 10 N -4.65 1.75 -1.90 -1.71 -0.02 -1.26 -4.65 135.00 122.57 1iq3 n PRO 10 Ca 0.10 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.19 1iq3 n PRO 10 Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.04 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 -2.21 5.14 -0.05 2.55 1.01 -1.26 -4.84 116.67 117.01 1iq3 s ASP 11 Ca 0.00 0.70 -0.10 0.00 0.71 0.00 0.00 52.55 53.85 1iq3 s ASP 11 Cb 0.00 -2.52 -0.06 0.00 1.01 0.00 0.00 42.92 41.35 1iq3 s ASP 11 CO 0.00 -2.41 0.43 -0.33 0.21 0.00 0.00 175.17 173.07 1iq3 h GLU 12 N 15.91 -0.35 -0.22 8.23 5.08 -1.98 -0.42 114.58 140.83 1iq3 h GLU 12 Ca -0.27 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 1iq3 h GLU 12 Cb 1.19 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1iq3 h GLU 12 CO 1.17 -0.23 -0.15 -1.00 -1.00 0.00 0.00 179.01 177.80 1iq3 h PRO 13 N -1.03 0.37 -0.61 2.33 0.13 -2.00 -2.71 132.00 128.47 1iq3 h PRO 13 Ca -0.04 -0.10 -0.24 0.00 -0.87 0.00 0.00 66.00 64.75 1iq3 h PRO 13 Cb 0.28 -0.04 -0.14 0.00 0.13 0.00 0.00 31.00 31.22 1iq3 h PRO 13 CO 0.06 0.51 0.22 0.91 -0.23 0.00 0.00 178.00 179.47 1iq3 n TRP 14 N -4.22 1.98 -1.57 1.56 5.03 -1.25 -5.00 117.44 113.98 1iq3 n TRP 14 Ca -0.00 -1.41 -0.53 0.00 3.03 0.00 0.00 57.50 58.59 1iq3 n TRP 14 Cb 0.31 -0.63 -0.07 0.00 -1.03 0.00 0.00 31.31 29.89 1iq3 n TRP 14 CO 0.00 0.00 0.00 2.89 -0.03 0.00 0.00 177.69 180.55 1iq3 n ARG 15 N -0.70 1.22 0.00 -0.99 1.85 -0.17 -4.78 116.66 113.09 1iq3 n ARG 15 Ca 0.40 0.40 0.00 0.00 -1.00 0.00 0.00 57.85 57.65 1iq3 n ARG 15 Cb 1.28 -2.32 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 1iq3 n ARG 15 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 1iq3 n ILE 16 N 5.97 0.00 0.00 8.89 0.13 -1.26 -5.05 119.36 128.03 1iq3 n ILE 16 Ca 0.34 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.99 1iq3 n ILE 16 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.99 1iq3 n ILE 16 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 1iq3 n THR 17 N 0.00 0.00 -1.14 9.51 5.66 -1.26 -4.92 114.28 122.13 1iq3 n THR 17 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 1iq3 n THR 17 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1iq3 n THR 17 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1iq3 n GLU 18 N 0.00 -1.81 -0.03 1.09 -0.58 -1.26 -4.73 120.64 113.32 1iq3 n GLU 18 Ca 0.00 0.69 0.05 0.00 -0.42 0.00 0.00 57.16 57.49 1iq3 n GLU 18 Cb 0.00 -5.05 -0.16 0.00 -0.57 0.00 0.00 31.44 25.66 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 -0.16 0.69 0.00 3.49 1.02 -1.26 -4.42 120.64 120.00 1iq3 n GLU 19 Ca -0.07 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1iq3 n GLU 19 Cb 0.52 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 -2.35 2.40 0.19 3.49 10.64 -1.26 -4.65 117.38 125.84 1iq3 n GLN 20 Ca -0.11 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.10 1iq3 n GLN 20 Cb 0.69 -0.87 0.42 0.00 -0.86 0.00 0.00 30.24 29.62 1iq3 n GLN 20 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1iq3 h ARG 21 N 0.00 0.04 -0.07 2.61 3.08 -1.94 -0.14 114.38 117.96 1iq3 h ARG 21 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1iq3 h ARG 21 Cb 0.44 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1iq3 h ARG 21 CO 0.00 0.30 -0.07 0.93 -1.07 0.00 0.00 179.97 180.06 1iq3 h GLU 22 N 0.04 0.17 0.00 0.04 5.08 -1.84 -2.43 114.58 115.64 1iq3 h GLU 22 Ca 0.00 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1iq3 h GLU 22 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1iq3 h GLU 22 CO 0.04 0.62 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.57 1iq3 h TYR 23 N -0.27 0.00 -0.19 4.33 3.20 -1.78 -2.40 116.97 119.86 1iq3 h TYR 23 Ca 0.01 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 1iq3 h TYR 23 Cb 0.59 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 1iq3 h TYR 23 CO 0.09 0.17 -0.25 1.88 -1.64 0.00 0.00 178.16 178.41 1iq3 h TYR 24 N 0.00 0.62 -0.24 -3.82 0.05 -0.88 -3.16 116.97 109.54 1iq3 h TYR 24 Ca -0.00 -0.20 -0.15 0.00 0.05 0.00 0.00 58.73 58.43 1iq3 h TYR 24 Cb 0.65 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 1iq3 h TYR 24 CO 0.00 0.90 -0.45 0.28 -1.05 0.00 0.00 178.16 177.84 1iq3 h VAL 25 N 0.18 1.30 -0.39 -2.88 2.07 -1.31 -2.75 116.25 112.47 1iq3 h VAL 25 Ca 0.02 -1.64 0.11 0.00 0.82 0.00 0.00 66.70 66.01 1iq3 h VAL 25 Cb 0.82 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1iq3 h VAL 25 CO 0.06 0.52 0.38 -1.13 0.02 0.00 0.00 177.57 177.42 1iq3 h ASN 26 N 0.50 0.00 0.00 0.57 -1.24 -1.40 -0.18 115.58 113.83 1iq3 h ASN 26 Ca 0.03 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 1iq3 h ASN 26 Cb 0.98 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.03 1iq3 h ASN 26 CO 0.09 0.00 -0.04 -0.61 -1.29 0.00 0.00 177.43 175.58 1iq3 h GLN 27 N 0.00 0.00 0.00 6.67 5.75 -1.47 -3.24 115.11 122.83 1iq3 h GLN 27 Ca 0.18 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 1iq3 h GLN 27 Cb 0.95 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.50 1iq3 h GLN 27 CO -0.00 0.41 0.18 0.35 -2.65 0.00 0.00 178.83 177.12 1iq3 h PHE 28 N -1.00 0.00 -0.09 3.99 3.04 -1.33 -0.96 116.94 120.59 1iq3 h PHE 28 Ca -0.01 0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.82 1iq3 h PHE 28 Cb 0.43 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.95 1iq3 h PHE 28 CO 0.10 0.00 -0.42 -0.09 -2.02 0.00 0.00 178.31 175.89 1iq3 h ARG 29 N 0.00 0.44 -1.21 1.11 2.43 -1.08 -0.99 114.38 115.08 1iq3 h ARG 29 Ca 0.00 -0.35 0.39 0.00 -0.81 0.00 0.00 59.98 59.21 1iq3 h ARG 29 Cb 0.36 0.07 -0.13 0.00 -0.42 0.00 0.00 29.97 29.86 1iq3 h ARG 29 CO 0.00 0.99 0.76 0.77 -1.51 0.00 0.00 179.97 180.98 1iq3 h SER 30 N -0.00 0.31 0.33 -3.80 0.02 -1.19 0.44 113.55 109.67 1iq3 h SER 30 Ca -0.03 0.14 -0.32 0.00 -0.84 0.00 0.00 61.79 60.75 1iq3 h SER 30 Cb 1.06 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.67 1iq3 h SER 30 CO 0.09 -0.15 -1.89 0.18 -1.14 0.00 0.00 176.83 173.91 1iq3 n LEU 31 N -4.77 1.12 -3.94 5.07 4.77 -1.19 -4.74 117.00 113.33 1iq3 n LEU 31 Ca 0.35 0.29 -0.31 0.00 -0.03 0.00 0.00 56.01 56.32 1iq3 n LEU 31 Cb 1.28 -0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 42.18 1iq3 n LEU 31 CO 0.19 0.51 -0.34 -1.10 -1.33 0.00 0.00 177.39 175.31 1iq3 s GLN 32 N -2.57 1.28 0.25 3.23 1.11 0.15 -4.97 119.66 118.15 1iq3 s GLN 32 Ca -0.10 -1.60 -0.03 0.00 0.01 0.00 0.00 55.36 53.64 1iq3 s GLN 32 Cb 0.07 -2.83 0.41 0.00 -1.01 0.00 0.00 33.01 29.66 1iq3 s GLN 32 CO 0.81 -0.93 1.84 -1.35 0.01 0.00 0.00 175.29 175.67 1iq3 h PRO 33 N 7.77 0.92 -6.33 2.91 0.11 -1.81 -3.37 132.00 132.19 1iq3 h PRO 33 Ca -0.08 -0.06 -0.57 0.00 0.11 0.00 0.00 66.00 65.41 1iq3 h PRO 33 Cb 1.02 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.88 1iq3 h PRO 33 CO 0.50 0.61 1.00 0.34 -0.21 0.00 0.00 178.00 180.24 1iq3 s ASP 34 N -5.72 6.62 0.57 -2.05 2.15 -1.26 -4.86 116.67 112.11 1iq3 s ASP 34 Ca -0.12 1.30 0.38 0.00 0.43 0.00 0.00 52.55 54.54 1iq3 s ASP 34 Cb 0.20 -2.54 1.94 0.00 -0.30 0.00 0.00 42.92 42.22 1iq3 s ASP 34 CO 0.80 -1.11 2.15 1.55 -0.17 0.00 0.00 175.17 178.38 1iq3 h PRO 35 N 9.57 0.00 -2.28 4.34 0.13 -1.98 -3.07 132.00 138.70 1iq3 h PRO 35 Ca -0.28 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.16 1iq3 h PRO 35 Cb 1.11 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.89 1iq3 h PRO 35 CO 1.03 0.00 0.17 -1.13 -0.23 0.00 0.00 178.00 177.83 1iq3 n SER 36 N -2.91 5.85 -3.24 1.44 3.41 -1.26 -4.84 113.62 112.07 1iq3 n SER 36 Ca -0.02 -3.68 -0.14 0.00 -0.26 0.00 0.00 58.87 54.77 1iq3 n SER 36 Cb 0.13 -0.86 -0.04 0.00 -0.26 0.00 0.00 64.21 63.18 1iq3 n SER 36 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1iq3 s SER 37 N -2.43 0.83 0.01 4.04 1.04 -1.16 -5.01 113.70 111.02 1iq3 s SER 37 Ca 0.44 -1.45 0.08 0.00 0.48 0.00 0.00 55.95 55.50 1iq3 s SER 37 Cb 0.23 0.68 -0.03 0.00 0.10 0.00 0.00 66.02 67.00 1iq3 s SER 37 CO -0.13 -1.33 -0.22 0.72 0.98 0.00 0.00 173.24 173.27 1iq3 s PHE 38 N -3.02 2.45 0.37 5.02 -0.12 -1.26 -0.35 117.98 121.07 1iq3 s PHE 38 Ca 0.29 -0.34 -0.07 0.00 -0.05 0.00 0.00 56.93 56.76 1iq3 s PHE 38 Cb -0.01 -1.47 -0.05 0.00 -0.63 0.00 0.00 43.02 40.86 1iq3 s PHE 38 CO 0.19 0.13 0.68 0.42 -0.05 0.00 0.00 175.22 176.59 1iq3 s ILE 39 N -0.78 4.91 1.42 -4.49 1.01 0.78 -4.75 121.20 119.30 1iq3 s ILE 39 Ca 0.12 0.28 -0.22 0.00 0.00 0.00 0.00 60.65 60.83 1iq3 s ILE 39 Cb -0.10 -3.77 0.37 0.00 0.01 0.00 0.00 42.46 38.97 1iq3 s ILE 39 CO 0.02 -0.51 0.92 -0.44 0.00 0.00 0.00 174.94 174.92 1iq3 s SER 40 N -3.39 -1.05 -0.20 3.58 0.01 -1.26 -1.43 113.70 109.95 1iq3 s SER 40 Ca 0.47 1.01 -0.20 0.00 1.31 0.00 0.00 55.95 58.54 1iq3 s SER 40 Cb -0.10 -1.47 -0.20 0.00 0.21 0.00 0.00 66.02 64.46 1iq3 s SER 40 CO 0.34 -5.38 0.23 1.23 0.41 0.00 0.00 173.24 170.06 1iq3 h GLY 41 N -3.43 0.03 2.00 3.44 0.00 -0.58 -3.20 103.07 101.33 1iq3 h GLY 41 Ca -0.47 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 46.67 1iq3 h GLY 41 CO 0.31 0.06 -0.57 1.76 0.00 0.00 0.00 176.54 178.11 1iq3 h SER 42 N -0.91 0.00 -0.05 0.19 0.02 -1.94 -1.65 113.55 109.22 1iq3 h SER 42 Ca -0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 1iq3 h SER 42 Cb 1.37 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.91 1iq3 h SER 42 CO -0.19 0.57 -0.01 0.58 -1.14 0.00 0.00 176.83 176.65 1iq3 h VAL 43 N 0.00 1.27 -0.25 2.27 2.07 -1.95 -0.21 116.25 119.45 1iq3 h VAL 43 Ca -0.01 -0.84 -0.14 0.00 0.82 0.00 0.00 66.70 66.53 1iq3 h VAL 43 Cb 1.19 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1iq3 h VAL 43 CO 0.07 0.23 -0.39 0.00 0.02 0.00 0.00 177.57 177.50 1iq3 h ALA 44 N 0.68 0.39 0.00 1.67 0.00 -1.57 -2.39 119.26 118.04 1iq3 h ALA 44 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1iq3 h ALA 44 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1iq3 h ALA 44 CO 0.00 0.49 0.00 1.63 0.00 0.00 0.00 179.25 181.37 1iq3 n LYS 45 N -4.20 0.09 0.18 0.00 5.02 -0.62 -1.43 118.16 117.20 1iq3 n LYS 45 Ca -0.05 0.41 -0.07 0.00 -2.02 0.00 0.00 58.31 56.58 1iq3 n LYS 45 Cb 0.53 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 1iq3 n LYS 45 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1iq3 h ASN 46 N 0.00 -0.40 0.76 4.39 -1.24 -0.48 -3.21 115.58 115.40 1iq3 h ASN 46 Ca 0.00 0.01 -0.17 0.00 0.71 0.00 0.00 56.30 56.85 1iq3 h ASN 46 Cb 0.21 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.34 1iq3 h ASN 46 CO 0.00 -0.20 -0.81 2.19 -1.29 0.00 0.00 177.43 177.32 1iq3 h PHE 47 N -0.64 0.05 -0.77 0.67 -5.15 -1.61 -3.29 116.94 106.19 1iq3 h PHE 47 Ca -0.05 -0.03 0.11 0.00 -0.20 0.00 0.00 57.97 57.81 1iq3 h PHE 47 Cb 0.36 -0.01 -0.13 0.00 0.22 0.00 0.00 35.95 36.40 1iq3 h PHE 47 CO 0.07 0.83 -0.42 0.74 -2.00 0.00 0.00 178.31 177.53 1iq3 h PHE 48 N 0.02 -1.21 -2.32 6.09 -1.00 -1.34 -1.71 116.94 115.47 1iq3 h PHE 48 Ca -0.01 0.09 -0.72 0.00 2.81 0.00 0.00 57.97 60.14 1iq3 h PHE 48 Cb 1.43 0.64 -0.33 0.00 3.61 0.00 0.00 35.95 41.30 1iq3 h PHE 48 CO 0.00 -0.40 0.34 -2.37 -1.61 0.00 0.00 178.31 174.27 1iq3 n THR 49 N -5.42 4.78 -0.14 -1.55 5.66 -1.21 -4.83 114.28 111.57 1iq3 n THR 49 Ca 0.05 -5.80 0.28 0.00 -3.05 0.00 0.00 64.05 55.53 1iq3 n THR 49 Cb 0.36 -1.58 0.72 0.00 -1.55 0.00 0.00 70.33 68.28 1iq3 n THR 49 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 1iq3 h LYS 50 N 3.89 0.00 -0.77 1.09 2.10 -1.39 -2.72 116.57 118.77 1iq3 h LYS 50 Ca 0.35 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.68 1iq3 h LYS 50 Cb 0.43 0.00 -0.39 0.00 -0.90 0.00 0.00 32.23 31.37 1iq3 h LYS 50 CO 1.05 0.00 -1.14 0.45 -2.00 0.00 0.00 179.45 177.81 1iq3 n SER 51 N -4.09 1.34 -2.03 7.07 2.88 -1.26 -4.95 113.62 112.58 1iq3 n SER 51 Ca 0.17 -2.47 0.00 0.00 -1.33 0.00 0.00 58.87 55.24 1iq3 n SER 51 Cb 0.94 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1iq3 n SER 51 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1iq3 n LYS 52 N -0.27 -2.41 -3.44 -1.46 2.85 -1.03 -2.32 118.16 110.08 1iq3 n LYS 52 Ca 0.08 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.10 1iq3 n LYS 52 Cb 0.82 -4.13 0.01 0.00 -0.65 0.00 0.00 35.03 31.07 1iq3 n LYS 52 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1iq3 n LEU 53 N -2.01 -1.62 0.00 -5.58 4.77 -1.26 -3.27 117.00 108.03 1iq3 n LEU 53 Ca 0.00 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 1iq3 n LEU 53 Cb 0.35 -1.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1iq3 n LEU 53 CO 0.00 0.26 0.00 -0.24 -1.33 0.00 0.00 177.39 176.08 1iq3 n SER 54 N -1.53 0.00 -4.79 -1.43 2.88 -0.98 -4.49 113.62 103.28 1iq3 n SER 54 Ca -0.22 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 56.94 1iq3 n SER 54 Cb 0.57 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.97 1iq3 n SER 54 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1iq3 s ILE 55 N 0.00 4.99 -0.35 2.46 2.07 -1.20 -5.00 121.20 124.17 1iq3 s ILE 55 Ca 0.00 1.01 -0.28 0.00 -1.41 0.00 0.00 60.65 59.97 1iq3 s ILE 55 Cb 0.00 -3.81 -0.04 0.00 0.13 0.00 0.00 42.46 38.74 1iq3 s ILE 55 CO 0.00 0.48 2.03 -2.16 -1.91 0.00 0.00 174.94 173.38 1iq3 s PRO 56 N -0.50 3.02 0.00 3.50 0.04 -1.22 -4.65 135.00 135.19 1iq3 s PRO 56 Ca 0.26 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1iq3 s PRO 56 Cb -0.17 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.04 1iq3 s PRO 56 CO 0.14 -2.23 0.72 -1.91 0.04 0.00 0.00 177.00 173.76 1iq3 n GLU 57 N 8.70 0.00 -0.04 4.56 2.13 -1.26 -4.93 120.64 129.80 1iq3 n GLU 57 Ca 0.27 -0.57 0.08 0.00 0.66 0.00 0.00 57.16 57.60 1iq3 n GLU 57 Cb 0.48 0.32 0.38 0.00 0.27 0.00 0.00 31.44 32.90 1iq3 n GLU 57 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1iq3 n LEU 58 N 0.00 0.67 -0.13 4.31 4.77 -1.26 -3.88 117.00 121.48 1iq3 n LEU 58 Ca -0.16 -0.29 -0.02 0.00 -0.03 0.00 0.00 56.01 55.51 1iq3 n LEU 58 Cb 0.57 -0.05 0.23 0.00 -2.33 0.00 0.00 43.42 41.83 1iq3 n LEU 58 CO -0.08 0.15 1.04 -1.28 -1.33 0.00 0.00 177.39 175.88 1iq3 h SER 59 N 0.85 0.75 0.98 -1.43 0.87 -1.99 -2.05 113.55 111.53 1iq3 h SER 59 Ca 0.00 -0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 60.34 1iq3 h SER 59 Cb 0.19 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1iq3 h SER 59 CO 0.00 0.69 -0.56 0.10 -0.53 0.00 0.00 176.83 176.53 1iq3 h TYR 60 N 0.80 0.00 -0.31 2.24 -0.00 -2.00 -2.10 116.97 115.60 1iq3 h TYR 60 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.83 1iq3 h TYR 60 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.91 1iq3 h TYR 60 CO 0.01 0.56 -0.16 0.82 -0.00 0.00 0.00 178.16 179.39 1iq3 h ILE 61 N 0.00 1.25 0.15 -0.90 1.08 -1.61 -2.91 117.51 114.57 1iq3 h ILE 61 Ca -0.01 -1.13 -0.30 0.00 -0.39 0.00 0.00 64.86 63.03 1iq3 h ILE 61 Cb 1.21 1.19 0.01 0.00 -3.07 0.00 0.00 36.82 36.15 1iq3 h ILE 61 CO 0.07 0.37 -1.44 -0.25 -0.69 0.00 0.00 178.15 176.21 1iq3 h TRP 62 N 0.50 0.59 -0.61 1.37 2.91 -1.39 -2.75 115.95 116.56 1iq3 h TRP 62 Ca 0.08 -0.43 0.16 0.00 1.13 0.00 0.00 58.89 59.83 1iq3 h TRP 62 Cb 0.57 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.16 1iq3 h TRP 62 CO 0.02 1.40 0.43 0.93 -1.03 0.00 0.00 178.44 180.19 1iq3 h GLU 63 N 0.09 0.12 0.00 2.65 4.39 -1.22 0.29 114.58 120.89 1iq3 h GLU 63 Ca -0.21 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.24 1iq3 h GLU 63 Cb 2.04 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 30.62 1iq3 h GLU 63 CO 0.20 0.08 -1.57 1.28 -1.16 0.00 0.00 179.01 177.84 1iq3 n LEU 64 N -4.40 0.88 0.23 1.33 4.77 -1.11 -3.87 117.00 114.83 1iq3 n LEU 64 Ca 0.11 0.41 0.10 0.00 -0.03 0.00 0.00 56.01 56.60 1iq3 n LEU 64 Cb 0.60 0.12 0.51 0.00 -2.33 0.00 0.00 43.42 42.33 1iq3 n LEU 64 CO 0.36 0.28 0.83 -1.28 -1.33 0.00 0.00 177.39 176.25 1iq3 h SER 65 N 0.00 0.00 -1.98 -1.43 0.87 -0.69 -3.44 113.55 106.89 1iq3 h SER 65 Ca -0.23 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 59.85 1iq3 h SER 65 Cb 1.82 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.76 1iq3 h SER 65 CO 0.06 0.21 -0.44 -1.81 -0.53 0.00 0.00 176.83 174.32 1iq3 s ASP 66 N -6.18 5.67 0.00 6.23 1.11 -0.37 -4.80 116.67 118.32 1iq3 s ASP 66 Ca -0.00 -0.28 0.00 0.00 0.18 0.00 0.00 52.55 52.45 1iq3 s ASP 66 Cb 0.11 -1.28 0.00 0.00 1.07 0.00 0.00 42.92 42.82 1iq3 s ASP 66 CO 0.63 -0.25 0.64 0.00 1.18 0.00 0.00 175.17 177.37 1iq3 n ALA 67 N -1.39 1.36 -1.70 5.23 0.00 -1.26 -4.86 120.51 117.89 1iq3 n ALA 67 Ca -0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 53.44 52.76 1iq3 n ALA 67 Cb 0.58 -0.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 -0.15 -2.39 0.00 5.75 -1.26 -4.97 116.55 113.53 1iq3 n ASP 68 Ca 0.00 -0.80 -0.04 0.00 -0.01 0.00 0.00 54.79 53.94 1iq3 n ASP 68 Cb 0.57 0.04 -0.01 0.00 -1.03 0.00 0.00 41.12 40.69 1iq3 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iq3 n ASP 70 N -1.34 0.18 0.00 0.00 5.75 -1.26 -4.86 116.55 115.02 1iq3 n ASP 70 Ca 0.01 0.54 0.00 0.00 -0.01 0.00 0.00 54.79 55.33 1iq3 n ASP 70 Cb 0.42 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1iq3 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iq3 n GLY 71 N 0.42 2.40 3.96 6.12 0.00 -1.26 -4.98 105.19 111.83 1iq3 n GLY 71 Ca 0.04 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.95 3.81 -0.04 4.61 0.00 -1.26 0.21 121.76 128.14 1iq3 s ALA 72 Ca 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 1iq3 s ALA 72 Cb 0.00 -1.93 0.03 0.00 0.00 0.00 0.00 23.12 21.22 1iq3 s ALA 72 CO 0.00 0.10 0.03 -0.51 0.00 0.00 0.00 175.76 175.39 1iq3 s LEU 73 N -4.15 0.67 0.78 0.00 1.02 -0.52 -4.89 118.68 111.59 1iq3 s LEU 73 Ca 0.37 0.03 -0.11 0.00 0.02 0.00 0.00 54.13 54.43 1iq3 s LEU 73 Cb -0.09 -0.18 0.07 0.00 0.02 0.00 0.00 46.19 46.01 1iq3 s LEU 73 CO 0.33 -0.18 1.11 0.42 0.02 0.00 0.00 176.35 178.05 1iq3 s THR 74 N 1.59 2.97 0.23 5.49 -4.23 -1.26 -0.15 115.64 120.28 1iq3 s THR 74 Ca -0.02 0.34 -0.06 0.00 -1.18 0.00 0.00 61.69 60.77 1iq3 s THR 74 Cb -0.13 -2.74 0.19 0.00 1.34 0.00 0.00 72.50 71.16 1iq3 s THR 74 CO -0.03 -0.38 1.82 0.25 -0.54 0.00 0.00 174.62 175.74 1iq3 h LEU 75 N -1.06 0.68 -2.26 4.79 6.46 -1.02 0.25 115.31 123.16 1iq3 h LEU 75 Ca -0.44 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.34 1iq3 h LEU 75 Cb 1.25 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 41.07 1iq3 h LEU 75 CO 0.49 0.42 -0.03 -0.65 -0.62 0.00 0.00 178.44 178.05 1iq3 h PRO 76 N 0.81 0.00 0.00 5.25 0.11 -1.90 -0.19 132.00 136.07 1iq3 h PRO 76 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1iq3 h PRO 76 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1iq3 h PRO 76 CO -0.20 0.03 -0.37 1.05 -0.21 0.00 0.00 178.00 178.30 1iq3 h GLU 77 N 0.00 0.00 0.01 1.05 4.11 -1.30 -3.24 114.58 115.21 1iq3 h GLU 77 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.22 1iq3 h GLU 77 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1iq3 h GLU 77 CO 0.00 0.00 -0.91 0.35 0.07 0.00 0.00 179.01 178.52 1iq3 h PHE 78 N 0.00 0.31 -0.10 2.06 3.04 -0.48 -3.03 116.94 118.74 1iq3 h PHE 78 Ca 0.00 -0.18 0.03 0.00 3.98 0.00 0.00 57.97 61.80 1iq3 h PHE 78 Cb 0.88 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.35 1iq3 h PHE 78 CO 0.00 1.01 0.34 0.00 -2.02 0.00 0.00 178.31 177.64 1iq3 n ALA 80 N -2.01 1.20 -0.25 0.00 0.00 -1.15 -3.66 120.51 114.63 1iq3 n ALA 80 Ca 0.00 -0.87 0.05 0.00 0.00 0.00 0.00 53.44 52.61 1iq3 n ALA 80 Cb 0.42 -0.39 0.17 0.00 0.00 0.00 0.00 19.45 19.65 1iq3 n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iq3 h ALA 81 N 0.12 1.00 -0.35 0.00 0.00 -1.05 -0.81 119.26 118.16 1iq3 h ALA 81 Ca -0.50 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 1iq3 h ALA 81 Cb 1.98 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 1iq3 h ALA 81 CO 0.00 -0.24 -0.45 0.74 0.00 0.00 0.00 179.25 179.30 1iq3 h PHE 82 N 0.40 1.13 -1.23 0.00 -1.00 -1.66 -2.97 116.94 111.61 1iq3 h PHE 82 Ca 0.40 -0.36 0.36 0.00 2.81 0.00 0.00 57.97 61.18 1iq3 h PHE 82 Cb 0.61 -0.23 -0.10 0.00 3.61 0.00 0.00 35.95 39.85 1iq3 h PHE 82 CO -0.19 1.20 0.82 0.45 -1.61 0.00 0.00 178.31 178.98 1iq3 h HIS 83 N 0.73 0.44 0.22 -0.55 3.86 -1.22 0.37 115.15 119.01 1iq3 h HIS 83 Ca 0.04 0.02 -0.33 0.00 -1.16 0.00 0.00 60.37 58.94 1iq3 h HIS 83 Cb 1.06 -0.12 0.03 0.00 1.06 0.00 0.00 27.41 29.43 1iq3 h HIS 83 CO 0.07 -0.05 -1.49 -0.07 0.86 0.00 0.00 177.93 177.25 1iq3 h LEU 84 N 0.18 0.72 -0.64 2.43 3.38 -1.36 -3.26 115.31 116.77 1iq3 h LEU 84 Ca 0.69 -0.82 0.13 0.00 0.09 0.00 0.00 57.88 57.97 1iq3 h LEU 84 Cb 2.18 -0.24 -0.12 0.00 0.09 0.00 0.00 40.66 42.57 1iq3 h LEU 84 CO -0.27 1.65 -0.16 0.40 0.09 0.00 0.00 178.44 180.15 1iq3 h ILE 85 N 0.13 0.36 -0.10 1.22 1.08 -0.15 0.40 117.51 120.45 1iq3 h ILE 85 Ca -0.25 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.17 1iq3 h ILE 85 Cb 2.12 0.36 -0.01 0.00 -3.07 0.00 0.00 36.82 36.22 1iq3 h ILE 85 CO 0.25 0.00 -0.19 0.58 -0.69 0.00 0.00 178.15 178.10 1iq3 h VAL 86 N -0.00 1.18 -0.00 1.67 2.07 -1.60 -1.96 116.25 117.60 1iq3 h VAL 86 Ca 0.31 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1iq3 h VAL 86 Cb 0.47 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1iq3 h VAL 86 CO -0.66 0.25 0.01 0.00 0.02 0.00 0.00 177.57 177.20 1iq3 h ALA 87 N 1.67 1.23 0.00 1.67 0.00 -0.23 -0.45 119.26 123.14 1iq3 h ALA 87 Ca 0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1iq3 h ALA 87 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1iq3 h ALA 87 CO 0.03 -0.01 -0.83 -0.09 0.00 0.00 0.00 179.25 178.35 1iq3 h ARG 88 N 0.00 0.00 0.28 0.00 9.65 -1.08 0.36 114.38 123.59 1iq3 h ARG 88 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1iq3 h ARG 88 Cb 0.02 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.57 1iq3 h ARG 88 CO -0.00 0.35 -0.46 -0.22 2.80 0.00 0.00 179.97 182.45 1iq3 h LYS 89 N 0.00 -0.77 0.00 0.20 3.11 -1.11 -3.28 116.57 114.72 1iq3 h LYS 89 Ca -0.06 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1iq3 h LYS 89 Cb 1.40 0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.80 1iq3 h LYS 89 CO 0.05 -0.51 -0.68 -1.71 -2.81 0.00 0.00 179.45 173.79 1iq3 n ASN 90 N -5.50 0.83 0.00 4.20 5.15 -1.25 -5.01 115.26 113.67 1iq3 n ASN 90 Ca -0.09 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.25 1iq3 n ASN 90 Cb 0.41 1.08 0.00 0.00 -0.53 0.00 0.00 39.78 40.75 1iq3 n ASN 90 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iq3 n GLY 91 N 1.36 3.16 3.45 8.20 0.00 0.11 -4.84 105.19 116.63 1iq3 n GLY 91 Ca 0.01 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 1iq3 n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1iq3 n TYR 92 N 0.00 -2.46 -1.54 1.61 4.01 -1.22 -4.62 117.16 112.94 1iq3 n TYR 92 Ca 0.00 0.95 -0.33 0.00 -0.16 0.00 0.00 57.90 58.36 1iq3 n TYR 92 Cb 0.00 -3.43 -0.08 0.00 -0.31 0.00 0.00 39.34 35.53 1iq3 n TYR 92 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1iq3 n PRO 93 N -2.35 0.66 -3.76 -0.72 -0.02 -1.26 -4.88 135.00 122.67 1iq3 n PRO 93 Ca -0.16 -0.13 -0.28 0.00 -2.02 0.00 0.00 63.50 60.91 1iq3 n PRO 93 Cb 0.60 -2.87 -0.16 0.00 -0.02 0.00 0.00 33.50 31.05 1iq3 n PRO 93 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1iq3 s LEU 94 N 11.13 1.43 -0.87 2.45 2.96 -1.26 -5.06 118.68 129.46 1iq3 s LEU 94 Ca 1.09 -0.92 -0.26 0.00 -0.22 0.00 0.00 54.13 53.81 1iq3 s LEU 94 Cb -0.47 -0.69 -0.16 0.00 0.50 0.00 0.00 46.19 45.38 1iq3 s LEU 94 CO 0.31 -0.30 2.32 -2.84 -1.32 0.00 0.00 176.35 174.52 1iq3 s PRO 95 N 1.78 1.53 0.35 0.98 0.02 -1.26 -4.83 135.00 133.57 1iq3 s PRO 95 Ca -0.01 0.23 0.03 0.00 0.02 0.00 0.00 61.00 61.27 1iq3 s PRO 95 Cb -0.17 -4.84 -0.01 0.00 0.02 0.00 0.00 34.50 29.49 1iq3 s PRO 95 CO -0.09 -4.68 0.41 -1.83 -0.33 0.00 0.00 177.00 170.48 1iq3 s GLU 96 N 8.72 1.91 0.00 5.54 -1.05 -1.26 -5.15 118.70 127.42 1iq3 s GLU 96 Ca 0.89 -1.92 0.00 0.00 -0.15 0.00 0.00 54.97 53.79 1iq3 s GLU 96 Cb -0.11 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1iq3 s GLU 96 CO 0.10 -0.76 0.00 0.41 0.95 0.00 0.00 175.26 175.96 1iq3 n GLY 97 N -0.62 0.75 3.54 -3.83 0.00 -1.26 -5.08 105.19 98.69 1iq3 n GLY 97 Ca 0.04 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 1iq3 n GLY 97 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1iq3 n LEU 98 N 0.00 1.57 -4.61 0.99 -0.00 -1.26 -4.94 117.00 108.74 1iq3 n LEU 98 Ca 0.00 0.39 -0.29 0.00 -0.00 0.00 0.00 56.01 56.10 1iq3 n LEU 98 Cb 0.00 -1.34 0.19 0.00 -0.00 0.00 0.00 43.42 42.27 1iq3 n LEU 98 CO 0.00 -2.89 0.61 -2.16 -0.00 0.00 0.00 177.39 172.95 1iq3 s PRO 99 N -4.08 0.24 -0.84 1.47 0.04 -1.26 -4.78 135.00 125.78 1iq3 s PRO 99 Ca 0.62 0.93 -0.24 0.00 0.04 0.00 0.00 61.00 62.34 1iq3 s PRO 99 Cb -0.23 -1.68 -0.17 0.00 0.04 0.00 0.00 34.50 32.46 1iq3 s PRO 99 CO 0.62 -2.97 2.32 -2.30 0.04 0.00 0.00 177.00 174.72 1iq3 n PRO 100 N -4.40 0.43 -1.11 0.56 -0.02 -1.26 -4.52 135.00 124.68 1iq3 n PRO 100 Ca 0.06 -0.93 0.02 0.00 -2.02 0.00 0.00 63.50 60.63 1iq3 n PRO 100 Cb 0.54 -3.51 0.01 0.00 -0.02 0.00 0.00 33.50 30.52 1iq3 n PRO 100 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1iq3 n THR 101 N 8.56 0.00 0.00 3.45 5.66 -1.26 -4.92 114.28 125.77 1iq3 n THR 101 Ca 0.47 -0.58 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 1iq3 n THR 101 Cb 0.42 0.78 0.00 0.00 -1.55 0.00 0.00 70.33 69.97 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 0.29 0.00 -1.35 1.09 0.00 -1.26 -5.03 117.00 110.74 1iq3 n LEU 102 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 55.93 1iq3 n LEU 102 Cb 0.96 0.00 0.13 0.00 0.00 0.00 0.00 43.42 44.50 1iq3 n LEU 102 CO -0.03 0.00 0.41 0.00 0.00 0.00 0.00 177.39 177.77 1iq3 n GLN 103 N 0.00 2.47 0.23 1.96 10.64 -1.26 -4.72 117.38 126.70 1iq3 n GLN 103 Ca 0.00 -3.62 0.09 0.00 -1.83 0.00 0.00 57.00 51.64 1iq3 n GLN 103 Cb 0.00 -1.95 0.53 0.00 -0.86 0.00 0.00 30.24 27.96 1iq3 n GLN 103 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 1iq3 h PRO 104 N 1.51 0.00 0.00 2.61 0.13 -2.00 -3.13 132.00 131.11 1iq3 h PRO 104 Ca 0.22 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 65.06 1iq3 h PRO 104 Cb 1.33 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 1iq3 h PRO 104 CO 0.45 0.23 -2.09 0.39 -0.23 0.00 0.00 178.00 176.76 1iq3 n GLU 105 N -3.63 1.22 -1.69 0.86 -0.58 -1.26 -4.53 120.64 111.03 1iq3 n GLU 105 Ca -0.01 0.02 -0.33 0.00 -0.42 0.00 0.00 57.16 56.42 1iq3 n GLU 105 Cb 0.36 -1.40 -0.01 0.00 -0.57 0.00 0.00 31.44 29.82 1iq3 n GLU 105 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1iq3 n PHE 106 N -2.70 2.21 0.02 -0.32 3.72 -1.21 -4.71 117.46 114.46 1iq3 n PHE 106 Ca -0.28 -2.11 -0.01 0.00 -0.05 0.00 0.00 57.45 55.00 1iq3 n PHE 106 Cb 0.98 -1.30 -0.00 0.00 -0.94 0.00 0.00 39.48 38.21 1iq3 n PHE 106 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1iq3 h ILE 107 N 2.01 0.00 -0.82 4.37 1.08 -1.78 -3.38 117.51 118.99 1iq3 h ILE 107 Ca 0.47 -0.03 -0.40 0.00 -0.39 0.00 0.00 64.86 64.51 1iq3 h ILE 107 Cb 0.41 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.10 1iq3 h ILE 107 CO 1.13 0.00 1.04 -0.69 -0.69 0.00 0.00 178.15 178.94 1iq3 s VAL 108 N -2.26 3.62 0.18 1.67 1.01 -1.26 -4.83 120.40 118.52 1iq3 s VAL 108 Ca -0.01 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.13 1iq3 s VAL 108 Cb 0.00 -4.41 0.05 0.00 0.00 0.00 0.00 36.38 32.02 1iq3 s VAL 108 CO 0.02 -1.29 1.56 0.74 0.00 0.00 0.00 175.10 176.13 1iq3 h THR 109 N 6.98 0.06 0.00 3.92 2.02 -1.97 -3.54 112.91 120.37 1iq3 h THR 109 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1iq3 h THR 109 Cb 1.00 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1iq3 h THR 109 CO 1.29 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 176.51