#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 6.43 -0.46 1.61 1.04 -1.26 -5.04 113.70 116.01 1iq3 s SER 2 Ca 0.00 0.69 0.07 0.00 0.48 0.00 0.00 55.95 57.18 1iq3 s SER 2 Cb 0.00 -2.13 0.29 0.00 0.10 0.00 0.00 66.02 64.28 1iq3 s SER 2 CO 0.00 -0.21 0.98 0.00 0.98 0.00 0.00 173.24 174.99 1iq3 n LEU 3 N -1.03 -2.20 -4.57 2.42 -0.00 -1.26 -5.11 117.00 105.25 1iq3 n LEU 3 Ca -0.02 -3.71 -0.41 0.00 -0.00 0.00 0.00 56.01 51.87 1iq3 n LEU 3 Cb 0.54 0.87 -0.07 0.00 -0.00 0.00 0.00 43.42 44.77 1iq3 n LEU 3 CO 0.48 2.07 0.34 -1.58 -0.00 0.00 0.00 177.39 178.70 1iq3 s GLN 4 N 0.16 3.73 0.02 1.47 0.74 -1.26 -5.01 119.66 119.51 1iq3 s GLN 4 Ca 0.27 0.06 -0.36 0.00 0.05 0.00 0.00 55.36 55.39 1iq3 s GLN 4 Cb 0.27 -3.79 -0.14 0.00 1.10 0.00 0.00 33.01 30.45 1iq3 s GLN 4 CO -0.13 -0.67 1.62 -0.25 -0.55 0.00 0.00 175.29 175.31 1iq3 n ASP 5 N 5.92 2.72 -1.64 6.67 8.00 -1.26 -4.83 116.55 132.14 1iq3 n ASP 5 Ca -0.02 1.06 -0.11 0.00 0.71 0.00 0.00 54.79 56.43 1iq3 n ASP 5 Cb 0.49 -1.31 0.11 0.00 -0.02 0.00 0.00 41.12 40.39 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 4.26 3.44 -1.91 -2.24 4.13 -1.26 -4.98 115.26 116.70 1iq3 n ASN 6 Ca 0.20 -2.85 0.00 0.00 1.68 0.00 0.00 54.58 53.61 1iq3 n ASN 6 Cb 0.24 -0.68 0.00 0.00 -1.54 0.00 0.00 39.78 37.80 1iq3 n ASN 6 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1iq3 n SER 7 N -0.33 -9.28 -0.74 6.41 2.88 -1.26 -4.87 113.62 106.43 1iq3 n SER 7 Ca 0.31 1.35 0.09 0.00 -1.33 0.00 0.00 58.87 59.29 1iq3 n SER 7 Cb 1.11 -5.02 -0.02 0.00 -0.75 0.00 0.00 64.21 59.52 1iq3 n SER 7 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1iq3 n SER 8 N 0.92 -4.42 -3.63 -3.46 2.88 -1.26 -4.99 113.62 99.66 1iq3 n SER 8 Ca 0.00 0.74 -0.03 0.00 -1.33 0.00 0.00 58.87 58.25 1iq3 n SER 8 Cb 0.00 -2.28 -0.04 0.00 -0.75 0.00 0.00 64.21 61.13 1iq3 n SER 8 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1iq3 s TYR 9 N -1.47 -0.09 1.22 0.66 1.13 -1.26 -5.13 117.35 112.41 1iq3 s TYR 9 Ca 0.00 0.14 -0.18 0.00 -1.41 0.00 0.00 57.07 55.62 1iq3 s TYR 9 Cb 0.00 0.49 0.25 0.00 -1.10 0.00 0.00 41.96 41.60 1iq3 s TYR 9 CO 0.00 -0.08 0.56 -2.30 -2.51 0.00 0.00 175.55 171.21 1iq3 n PRO 10 N 0.52 -3.13 -3.33 -3.49 -0.02 -1.26 -5.03 135.00 119.26 1iq3 n PRO 10 Ca -0.01 -0.92 -0.12 0.00 -2.02 0.00 0.00 63.50 60.42 1iq3 n PRO 10 Cb 0.59 -1.76 -0.06 0.00 -0.02 0.00 0.00 33.50 32.24 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 -2.39 0.61 -0.04 2.55 1.11 -1.26 -5.00 116.67 112.25 1iq3 s ASP 11 Ca 0.55 -1.16 -0.11 0.00 0.18 0.00 0.00 52.55 52.00 1iq3 s ASP 11 Cb -0.12 0.89 -0.31 0.00 1.07 0.00 0.00 42.92 44.45 1iq3 s ASP 11 CO 0.51 -0.27 0.70 -0.33 1.18 0.00 0.00 175.17 176.97 1iq3 h GLU 12 N 7.34 0.41 -0.84 8.23 4.39 -2.00 -3.32 114.58 128.79 1iq3 h GLU 12 Ca 0.01 -0.70 0.06 0.00 0.34 0.00 0.00 59.36 59.06 1iq3 h GLU 12 Cb 1.09 0.26 -0.05 0.00 -0.10 0.00 0.00 28.75 29.95 1iq3 h GLU 12 CO 0.21 1.33 0.55 -1.35 -1.16 0.00 0.00 179.01 178.59 1iq3 h PRO 13 N 0.11 0.94 -1.03 2.33 0.11 -2.01 -0.85 132.00 131.60 1iq3 h PRO 13 Ca -0.34 -0.06 -0.37 0.00 0.11 0.00 0.00 66.00 65.35 1iq3 h PRO 13 Cb 2.11 -0.21 -0.21 0.00 0.11 0.00 0.00 31.00 32.80 1iq3 h PRO 13 CO 0.19 0.62 0.47 0.91 -0.21 0.00 0.00 178.00 179.98 1iq3 n TRP 14 N -4.47 2.13 -1.58 0.65 5.03 -1.25 -4.95 117.44 112.99 1iq3 n TRP 14 Ca 0.12 -1.53 -0.50 0.00 3.03 0.00 0.00 57.50 58.63 1iq3 n TRP 14 Cb 0.18 -0.77 -0.06 0.00 -1.03 0.00 0.00 31.31 29.63 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 -0.59 1.58 0.00 -0.99 5.12 -0.33 -4.79 116.66 116.67 1iq3 n ARG 15 Ca 0.41 0.51 0.00 0.00 -1.93 0.00 0.00 57.85 56.85 1iq3 n ARG 15 Cb 1.24 -2.60 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 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 6.31 0.00 -2.69 0.55 0.13 -1.26 -5.07 119.36 117.32 1iq3 n ILE 16 Ca 0.32 0.00 -0.02 0.00 -1.10 0.00 0.00 62.75 61.95 1iq3 n ILE 16 Cb 0.27 0.00 0.03 0.00 -0.84 0.00 0.00 39.64 39.10 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 -1.43 -0.18 -0.99 9.51 -1.32 -1.26 -4.92 115.64 115.03 1iq3 s THR 17 Ca 0.00 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.34 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 2.83 -1.53 -0.08 7.08 1.02 -1.26 -4.72 120.64 123.97 1iq3 n GLU 18 Ca 0.10 0.66 -0.14 0.00 -0.02 0.00 0.00 57.16 57.76 1iq3 n GLU 18 Cb 0.65 -4.78 -0.14 0.00 -0.02 0.00 0.00 31.44 27.15 1iq3 n GLU 18 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1iq3 n GLU 19 N -1.08 0.68 -0.04 3.49 1.02 -1.26 -3.86 120.64 119.59 1iq3 n GLU 19 Ca -0.09 0.12 -0.05 0.00 -0.02 0.00 0.00 57.16 57.12 1iq3 n GLU 19 Cb 0.42 -1.59 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 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 -3.05 2.34 0.20 3.49 10.64 -1.26 -4.50 117.38 125.23 1iq3 n GLN 20 Ca -0.35 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 54.90 1iq3 n GLN 20 Cb 1.07 -1.22 0.37 0.00 -0.86 0.00 0.00 30.24 29.61 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 -0.21 2.61 2.43 -1.93 -2.13 114.38 115.15 1iq3 h ARG 21 Ca -0.23 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.97 1iq3 h ARG 21 Cb 1.50 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.02 1iq3 h ARG 21 CO 0.01 0.31 0.02 0.93 -1.51 0.00 0.00 179.97 179.73 1iq3 h GLU 22 N 0.00 0.09 0.09 0.20 5.08 -1.79 -1.18 114.58 117.07 1iq3 h GLU 22 Ca -0.00 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 1iq3 h GLU 22 Cb 0.86 -0.02 0.03 0.00 0.50 0.00 0.00 28.75 30.11 1iq3 h GLU 22 CO 0.04 0.06 -1.17 -0.92 -1.00 0.00 0.00 179.01 176.03 1iq3 h TYR 23 N 0.10 1.01 0.09 4.33 3.20 -1.80 -2.51 116.97 121.38 1iq3 h TYR 23 Ca 0.10 -0.61 0.00 0.00 3.14 0.00 0.00 58.73 61.36 1iq3 h TYR 23 Cb 0.11 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 1iq3 h TYR 23 CO -0.16 1.45 -0.22 1.88 -1.64 0.00 0.00 178.16 179.47 1iq3 h TYR 24 N 0.28 -0.62 0.00 -3.82 0.05 -1.15 -1.09 116.97 110.63 1iq3 h TYR 24 Ca -0.17 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.61 1iq3 h TYR 24 Cb 1.84 0.26 -0.00 0.00 1.01 0.00 0.00 36.73 39.83 1iq3 h TYR 24 CO 0.12 -0.25 -0.04 0.28 -1.05 0.00 0.00 178.16 177.21 1iq3 h VAL 25 N -0.34 0.91 0.00 -2.88 2.07 -1.36 -1.10 116.25 113.55 1iq3 h VAL 25 Ca -0.01 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1iq3 h VAL 25 Cb 0.32 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1iq3 h VAL 25 CO -0.10 0.04 -0.12 -1.13 0.02 0.00 0.00 177.57 176.29 1iq3 h ASN 26 N 0.00 0.00 0.00 0.57 -1.24 -0.82 -2.16 115.58 111.92 1iq3 h ASN 26 Ca -0.00 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 1iq3 h ASN 26 Cb 0.08 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1iq3 h ASN 26 CO 0.01 0.12 -0.41 -0.61 -1.29 0.00 0.00 177.43 175.24 1iq3 h GLN 27 N 0.00 0.00 -0.36 6.67 5.75 -0.01 -3.31 115.11 123.85 1iq3 h GLN 27 Ca -0.00 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.60 1iq3 h GLN 27 Cb 0.25 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 1iq3 h GLN 27 CO 0.02 0.46 0.60 0.35 -2.65 0.00 0.00 178.83 177.60 1iq3 h PHE 28 N -1.00 0.00 -0.24 3.99 3.04 -1.44 0.16 116.94 121.45 1iq3 h PHE 28 Ca -0.08 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.81 1iq3 h PHE 28 Cb 0.66 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.16 1iq3 h PHE 28 CO 0.03 0.00 -0.08 0.00 -2.02 0.00 0.00 178.31 176.24 1iq3 h ARG 29 N 0.00 0.48 0.00 1.11 3.08 -1.48 0.49 114.38 118.07 1iq3 h ARG 29 Ca 0.17 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1iq3 h ARG 29 Cb 1.37 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1iq3 h ARG 29 CO -0.00 0.73 0.18 0.77 -1.07 0.00 0.00 179.97 180.58 1iq3 h SER 30 N 0.21 0.00 0.00 7.04 0.02 -0.80 -0.31 113.55 119.72 1iq3 h SER 30 Ca 0.06 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1iq3 h SER 30 Cb 0.56 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1iq3 h SER 30 CO 0.03 0.00 -1.91 0.18 -1.14 0.00 0.00 176.83 173.99 1iq3 n LEU 31 N -2.96 0.00 -4.17 5.07 4.77 -0.95 -4.95 117.00 113.81 1iq3 n LEU 31 Ca -0.02 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.71 1iq3 n LEU 31 Cb 0.24 0.08 -0.15 0.00 -2.33 0.00 0.00 43.42 41.26 1iq3 n LEU 31 CO 0.16 0.08 -0.50 -1.10 -1.33 0.00 0.00 177.39 174.70 1iq3 s GLN 32 N -3.12 1.47 0.02 3.23 -1.52 0.12 -4.93 119.66 114.94 1iq3 s GLN 32 Ca -0.07 -0.63 -0.22 0.00 -1.95 0.00 0.00 55.36 52.49 1iq3 s GLN 32 Cb 0.11 -1.41 -0.12 0.00 -0.22 0.00 0.00 33.01 31.37 1iq3 s GLN 32 CO 0.76 0.37 1.17 -1.35 -0.25 0.00 0.00 175.29 175.99 1iq3 h PRO 33 N 5.76 -0.77 -6.47 2.91 0.11 -1.88 -3.40 132.00 128.26 1iq3 h PRO 33 Ca -0.36 0.05 -0.53 0.00 0.11 0.00 0.00 66.00 65.26 1iq3 h PRO 33 Cb 1.15 0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.40 1iq3 h PRO 33 CO 0.48 -0.51 0.11 0.34 -0.21 0.00 0.00 178.00 178.21 1iq3 s ASP 34 N -3.58 7.20 0.05 -2.05 2.15 -1.26 -4.98 116.67 114.20 1iq3 s ASP 34 Ca -0.12 1.48 -0.25 0.00 0.43 0.00 0.00 52.55 54.10 1iq3 s ASP 34 Cb 0.01 -2.44 -0.17 0.00 -0.30 0.00 0.00 42.92 40.02 1iq3 s ASP 34 CO 0.35 0.16 1.56 -0.65 -0.17 0.00 0.00 175.17 176.42 1iq3 h PRO 35 N 4.05 -0.12 -2.20 4.34 0.11 -1.96 -3.09 132.00 133.12 1iq3 h PRO 35 Ca -0.48 0.01 -0.44 0.00 0.11 0.00 0.00 66.00 65.20 1iq3 h PRO 35 Cb 1.20 0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.24 1iq3 h PRO 35 CO 0.65 0.06 0.80 -1.13 -0.21 0.00 0.00 178.00 178.17 1iq3 n SER 36 N -5.07 6.51 -4.30 -2.05 3.41 -1.26 -4.57 113.62 106.29 1iq3 n SER 36 Ca -0.08 -2.86 -0.25 0.00 -0.26 0.00 0.00 58.87 55.42 1iq3 n SER 36 Cb 0.14 -1.36 -0.09 0.00 -0.26 0.00 0.00 64.21 62.64 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 1.17 2.76 0.17 4.04 1.04 -1.17 -4.83 113.70 116.89 1iq3 s SER 37 Ca 0.63 -1.57 0.06 0.00 0.48 0.00 0.00 55.95 55.55 1iq3 s SER 37 Cb 0.31 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1iq3 s SER 37 CO -0.11 -0.81 0.11 0.72 0.98 0.00 0.00 173.24 174.14 1iq3 s PHE 38 N -3.21 3.09 0.23 5.02 -0.12 -1.26 0.64 117.98 122.36 1iq3 s PHE 38 Ca 0.27 -0.05 -0.11 0.00 -0.05 0.00 0.00 56.93 56.98 1iq3 s PHE 38 Cb 0.05 -1.48 -0.07 0.00 -0.63 0.00 0.00 43.02 40.89 1iq3 s PHE 38 CO 0.14 0.52 0.58 0.42 -0.05 0.00 0.00 175.22 176.83 1iq3 s ILE 39 N -1.78 4.87 0.61 -4.49 1.01 -0.61 -4.79 121.20 116.01 1iq3 s ILE 39 Ca 0.30 0.63 0.28 0.00 0.00 0.00 0.00 60.65 61.86 1iq3 s ILE 39 Cb -0.10 -3.64 0.36 0.00 0.01 0.00 0.00 42.46 39.09 1iq3 s ILE 39 CO 0.23 -0.03 1.87 -1.28 0.00 0.00 0.00 174.94 175.72 1iq3 h SER 40 N 2.69 0.00 0.00 3.58 0.87 -1.92 -2.68 113.55 116.09 1iq3 h SER 40 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1iq3 h SER 40 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1iq3 h SER 40 CO 0.68 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.59 1iq3 n GLY 41 N -1.46 2.25 0.25 5.77 0.00 -1.21 -3.63 105.19 107.16 1iq3 n GLY 41 Ca 0.07 -0.66 0.17 0.00 0.00 0.00 0.00 46.02 45.60 1iq3 n GLY 41 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1iq3 h SER 42 N 0.00 0.00 -0.75 1.61 0.87 -1.89 -2.94 113.55 110.45 1iq3 h SER 42 Ca 0.00 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 1iq3 h SER 42 Cb 0.00 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 1iq3 h SER 42 CO 0.00 0.00 0.43 0.58 -0.53 0.00 0.00 176.83 177.31 1iq3 h VAL 43 N 0.00 0.98 0.01 2.23 2.07 -1.93 -2.09 116.25 117.52 1iq3 h VAL 43 Ca 0.00 -0.27 -0.26 0.00 0.82 0.00 0.00 66.70 66.99 1iq3 h VAL 43 Cb 0.34 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1iq3 h VAL 43 CO 0.00 0.14 -1.42 0.00 0.02 0.00 0.00 177.57 176.31 1iq3 h ALA 44 N 1.38 0.57 0.00 1.67 0.00 -1.91 -3.27 119.26 117.70 1iq3 h ALA 44 Ca 0.34 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1iq3 h ALA 44 Cb 0.21 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1iq3 h ALA 44 CO -0.19 1.43 0.00 1.63 0.00 0.00 0.00 179.25 182.12 1iq3 n LYS 45 N -3.20 0.00 0.05 0.00 5.02 -0.98 -1.44 118.16 117.62 1iq3 n LYS 45 Ca -0.10 0.34 -0.11 0.00 -2.02 0.00 0.00 58.31 56.41 1iq3 n LYS 45 Cb 1.01 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.44 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 -0.16 0.96 4.39 -1.24 -1.44 -3.34 115.58 114.74 1iq3 h ASN 46 Ca 0.00 -0.38 -0.09 0.00 0.71 0.00 0.00 56.30 56.53 1iq3 h ASN 46 Cb 0.15 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.23 1iq3 h ASN 46 CO 0.00 0.38 -1.10 2.19 -1.29 0.00 0.00 177.43 177.62 1iq3 h PHE 47 N -0.80 0.00 -0.62 0.67 -5.15 -1.73 -3.38 116.94 105.93 1iq3 h PHE 47 Ca -0.02 0.00 0.10 0.00 -0.20 0.00 0.00 57.97 57.85 1iq3 h PHE 47 Cb 0.54 0.00 -0.11 0.00 0.22 0.00 0.00 35.95 36.59 1iq3 h PHE 47 CO 0.09 0.33 -0.39 0.74 -2.00 0.00 0.00 178.31 177.08 1iq3 h PHE 48 N 0.00 -1.12 -0.59 6.09 -1.00 -1.37 -1.31 116.94 117.65 1iq3 h PHE 48 Ca -0.08 0.08 -0.71 0.00 2.81 0.00 0.00 57.97 60.07 1iq3 h PHE 48 Cb 1.32 0.58 -0.05 0.00 3.61 0.00 0.00 35.95 41.41 1iq3 h PHE 48 CO 0.00 -0.40 3.10 -2.37 -1.61 0.00 0.00 178.31 177.03 1iq3 n THR 49 N -5.42 4.73 -0.02 -1.55 5.66 -1.26 -4.79 114.28 111.62 1iq3 n THR 49 Ca 0.03 -3.47 -0.01 0.00 -3.05 0.00 0.00 64.05 57.55 1iq3 n THR 49 Cb 0.35 -2.36 -0.01 0.00 -1.55 0.00 0.00 70.33 66.77 1iq3 n THR 49 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1iq3 h LYS 50 N 4.88 -0.02 -1.36 1.09 3.64 -1.50 -3.35 116.57 119.95 1iq3 h LYS 50 Ca 0.77 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 59.75 1iq3 h LYS 50 Cb 0.32 0.00 -0.36 0.00 -0.41 0.00 0.00 32.23 31.78 1iq3 h LYS 50 CO 1.64 -0.01 -1.08 0.43 -2.27 0.00 0.00 179.45 178.16 1iq3 n SER 51 N -3.06 0.60 -4.04 4.20 7.64 -1.26 -4.97 113.62 112.73 1iq3 n SER 51 Ca -0.00 -2.93 -0.32 0.00 1.01 0.00 0.00 58.87 56.62 1iq3 n SER 51 Cb 0.03 -0.27 -0.04 0.00 -1.01 0.00 0.00 64.21 62.92 1iq3 n SER 51 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1iq3 n LYS 52 N 0.12 -0.68 -0.73 1.43 2.85 -1.26 -4.29 118.16 115.60 1iq3 n LYS 52 Ca 0.16 0.03 -0.12 0.00 -1.05 0.00 0.00 58.31 57.33 1iq3 n LYS 52 Cb 0.73 -2.54 -0.11 0.00 -0.65 0.00 0.00 35.03 32.47 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 -4.21 -0.63 0.00 -5.58 4.77 -1.26 -3.87 117.00 106.22 1iq3 n LEU 53 Ca -0.20 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1iq3 n LEU 53 Cb 0.54 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1iq3 n LEU 53 CO 0.68 -0.67 0.00 -1.20 -1.33 0.00 0.00 177.39 174.88 1iq3 n SER 54 N 2.91 0.00 -4.45 -1.43 7.64 -1.26 -4.23 113.62 112.81 1iq3 n SER 54 Ca 0.33 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.77 1iq3 n SER 54 Cb 0.06 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.20 1iq3 n SER 54 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1iq3 s ILE 55 N 0.00 4.86 0.00 0.44 1.10 -1.25 -4.98 121.20 121.37 1iq3 s ILE 55 Ca 0.00 -0.46 0.00 0.00 -0.51 0.00 0.00 60.65 59.68 1iq3 s ILE 55 Cb 0.00 -4.30 0.00 0.00 0.15 0.00 0.00 42.46 38.31 1iq3 s ILE 55 CO 0.00 -0.81 0.04 -0.81 -2.11 0.00 0.00 174.94 171.25 1iq3 n PRO 56 N 6.21 0.00 -1.77 3.50 -0.04 -1.26 -4.75 135.00 136.90 1iq3 n PRO 56 Ca -0.06 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.34 1iq3 n PRO 56 Cb 0.45 -0.42 -0.01 0.00 -0.04 0.00 0.00 33.50 33.48 1iq3 n PRO 56 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1iq3 n GLU 57 N -0.05 -1.82 0.33 0.54 4.71 -1.26 -4.68 120.64 118.41 1iq3 n GLU 57 Ca 0.00 0.31 0.10 0.00 -0.01 0.00 0.00 57.16 57.57 1iq3 n GLU 57 Cb 0.00 -4.62 0.55 0.00 -1.01 0.00 0.00 31.44 26.36 1iq3 n GLU 57 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1iq3 h LEU 58 N 0.00 0.00 -0.88 -4.62 -0.00 -2.01 -1.32 115.31 106.48 1iq3 h LEU 58 Ca -0.13 0.00 0.17 0.00 -0.00 0.00 0.00 57.88 57.93 1iq3 h LEU 58 Cb 0.71 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.27 1iq3 h LEU 58 CO 0.17 0.00 0.45 -1.28 -0.00 0.00 0.00 178.44 177.78 1iq3 h SER 59 N 0.00 0.51 1.16 -0.43 0.87 -2.00 0.13 113.55 113.79 1iq3 h SER 59 Ca 0.00 0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.55 1iq3 h SER 59 Cb 1.10 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 1iq3 h SER 59 CO -0.00 0.17 -0.56 0.10 -0.53 0.00 0.00 176.83 176.01 1iq3 h TYR 60 N 0.58 0.00 -0.35 2.24 -0.00 -1.60 -1.30 116.97 116.54 1iq3 h TYR 60 Ca 0.51 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 59.12 1iq3 h TYR 60 Cb 0.80 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.52 1iq3 h TYR 60 CO -0.09 0.56 -0.26 0.82 -0.00 0.00 0.00 178.16 179.19 1iq3 h ILE 61 N 0.00 1.27 0.03 -0.90 1.08 -0.90 -2.75 117.51 115.35 1iq3 h ILE 61 Ca -0.01 -1.38 -0.27 0.00 -0.39 0.00 0.00 64.86 62.82 1iq3 h ILE 61 Cb 1.29 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 36.29 1iq3 h ILE 61 CO 0.07 0.45 -1.43 -0.25 -0.69 0.00 0.00 178.15 176.31 1iq3 h TRP 62 N 0.63 0.13 -0.41 1.37 2.91 -1.24 -2.75 115.95 116.59 1iq3 h TRP 62 Ca 0.08 -0.09 0.04 0.00 1.13 0.00 0.00 58.89 60.05 1iq3 h TRP 62 Cb 0.77 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 29.39 1iq3 h TRP 62 CO 0.04 1.12 0.27 1.49 -1.03 0.00 0.00 178.44 180.33 1iq3 h GLU 63 N 0.02 0.37 0.00 2.65 4.81 -1.14 -1.22 114.58 120.07 1iq3 h GLU 63 Ca -0.18 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 58.90 1iq3 h GLU 63 Cb 1.93 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 31.21 1iq3 h GLU 63 CO 0.12 0.25 -1.30 1.28 -0.73 0.00 0.00 179.01 178.62 1iq3 n LEU 64 N -4.48 0.87 0.20 1.64 4.77 -1.05 -3.91 117.00 115.05 1iq3 n LEU 64 Ca 0.05 0.37 0.04 0.00 -0.03 0.00 0.00 56.01 56.44 1iq3 n LEU 64 Cb 0.19 0.04 0.42 0.00 -2.33 0.00 0.00 43.42 41.74 1iq3 n LEU 64 CO 0.35 0.06 0.77 -1.28 -1.33 0.00 0.00 177.39 175.96 1iq3 h SER 65 N 0.00 0.00 -2.82 -1.43 0.87 -0.92 -3.42 113.55 105.83 1iq3 h SER 65 Ca -0.12 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.79 1iq3 h SER 65 Cb 1.44 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.33 1iq3 h SER 65 CO 0.03 0.32 -0.39 -1.81 -0.53 0.00 0.00 176.83 174.45 1iq3 s ASP 66 N -6.83 6.50 -0.11 6.23 1.01 -0.89 -4.80 116.67 117.80 1iq3 s ASP 66 Ca -0.03 0.60 0.14 0.00 0.71 0.00 0.00 52.55 53.97 1iq3 s ASP 66 Cb 0.14 -2.13 0.41 0.00 1.01 0.00 0.00 42.92 42.35 1iq3 s ASP 66 CO 0.70 0.36 1.32 0.00 0.21 0.00 0.00 175.17 177.76 1iq3 n ALA 67 N 2.11 2.61 -1.59 5.23 0.00 -1.26 -4.60 120.51 123.01 1iq3 n ALA 67 Ca -0.18 -1.89 -0.02 0.00 0.00 0.00 0.00 53.44 51.36 1iq3 n ALA 67 Cb 0.54 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.26 -0.23 -2.63 0.00 5.68 -1.26 -4.96 116.55 112.88 1iq3 n ASP 68 Ca 0.16 -0.67 -0.07 0.00 -0.50 0.00 0.00 54.79 53.71 1iq3 n ASP 68 Cb 0.68 0.07 -0.01 0.00 -1.14 0.00 0.00 41.12 40.72 1iq3 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1iq3 n ASP 70 N -1.46 0.00 0.00 0.00 5.75 -1.26 -4.87 116.55 114.71 1iq3 n ASP 70 Ca 0.02 -0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 1iq3 n ASP 70 Cb 0.43 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 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 0.57 1.93 3.94 6.12 0.00 -1.26 -4.96 105.19 111.52 1iq3 n GLY 71 Ca 0.12 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.23 3.66 -0.13 4.61 0.00 -1.24 -3.31 121.76 125.12 1iq3 s ALA 72 Ca 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 1iq3 s ALA 72 Cb 0.00 -2.18 0.05 0.00 0.00 0.00 0.00 23.12 20.98 1iq3 s ALA 72 CO 0.00 -0.09 0.06 -0.51 0.00 0.00 0.00 175.76 175.21 1iq3 s LEU 73 N -4.40 0.53 1.00 0.00 1.02 -1.01 -4.87 118.68 110.96 1iq3 s LEU 73 Ca 0.42 -0.41 -0.16 0.00 0.02 0.00 0.00 54.13 53.99 1iq3 s LEU 73 Cb -0.10 -0.33 -0.01 0.00 0.02 0.00 0.00 46.19 45.77 1iq3 s LEU 73 CO 0.37 -0.29 -0.12 0.35 0.02 0.00 0.00 176.35 176.69 1iq3 n THR 74 N 5.21 0.00 -0.31 5.49 -2.24 -1.26 -1.58 114.28 119.59 1iq3 n THR 74 Ca -0.07 -0.26 0.02 0.00 -2.27 0.00 0.00 64.05 61.47 1iq3 n THR 74 Cb 0.49 -0.43 0.16 0.00 -2.10 0.00 0.00 70.33 68.45 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 -1.51 0.78 -1.85 3.22 7.12 -0.04 0.57 115.31 123.61 1iq3 h LEU 75 Ca -0.45 0.03 0.09 0.00 0.13 0.00 0.00 57.88 57.68 1iq3 h LEU 75 Cb 1.31 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 41.30 1iq3 h LEU 75 CO 0.32 0.47 0.30 -0.65 -0.13 0.00 0.00 178.44 178.75 1iq3 h PRO 76 N 0.90 0.17 0.00 5.25 0.11 -1.87 0.71 132.00 137.28 1iq3 h PRO 76 Ca 0.40 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.39 1iq3 h PRO 76 Cb 0.28 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 1iq3 h PRO 76 CO -0.21 0.11 -0.53 0.93 -0.21 0.00 0.00 178.00 178.09 1iq3 h GLU 77 N 0.18 0.00 0.09 1.05 5.08 -1.16 -3.17 114.58 116.65 1iq3 h GLU 77 Ca 0.20 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.27 1iq3 h GLU 77 Cb 0.56 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.84 1iq3 h GLU 77 CO -0.03 0.53 -1.18 0.35 -1.00 0.00 0.00 179.01 177.67 1iq3 h PHE 78 N 0.00 1.02 -0.23 4.33 3.04 -0.65 -3.03 116.94 121.43 1iq3 h PHE 78 Ca -0.01 -0.62 0.07 0.00 3.98 0.00 0.00 57.97 61.39 1iq3 h PHE 78 Cb 1.01 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.42 1iq3 h PHE 78 CO 0.00 1.46 0.27 0.00 -2.02 0.00 0.00 178.31 178.02 1iq3 h ALA 80 N 1.66 0.00 -0.94 0.00 0.00 -1.59 -3.32 119.26 115.08 1iq3 h ALA 80 Ca 0.11 -0.28 0.27 0.00 0.00 0.00 0.00 54.91 55.01 1iq3 h ALA 80 Cb 0.66 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1iq3 h ALA 80 CO -0.00 0.20 0.74 0.00 0.00 0.00 0.00 179.25 180.19 1iq3 h ALA 81 N -1.44 2.84 0.38 0.00 0.00 -1.46 -2.44 119.26 117.14 1iq3 h ALA 81 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1iq3 h ALA 81 Cb 0.20 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1iq3 h ALA 81 CO 0.00 -1.23 -0.18 0.35 0.00 0.00 0.00 179.25 178.19 1iq3 h PHE 82 N 0.00 -0.48 -0.27 0.00 3.57 -1.41 -2.87 116.94 115.48 1iq3 h PHE 82 Ca 0.45 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 62.01 1iq3 h PHE 82 Cb 1.93 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.81 1iq3 h PHE 82 CO 0.00 -0.30 0.65 1.12 -2.23 0.00 0.00 178.31 177.55 1iq3 h HIS 83 N -0.71 0.00 0.04 0.41 2.07 -1.54 0.66 115.15 116.08 1iq3 h HIS 83 Ca -0.05 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.47 1iq3 h HIS 83 Cb 0.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.38 1iq3 h HIS 83 CO 0.06 0.00 -0.02 -0.07 -3.07 0.00 0.00 177.93 174.84 1iq3 h LEU 84 N 0.00 -0.04 0.11 6.12 3.38 -1.29 0.18 115.31 123.77 1iq3 h LEU 84 Ca 0.13 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1iq3 h LEU 84 Cb 1.42 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1iq3 h LEU 84 CO -0.00 0.39 -0.05 0.40 0.09 0.00 0.00 178.44 179.26 1iq3 h ILE 85 N -0.48 0.94 0.00 1.22 5.03 -0.76 -2.49 117.51 120.97 1iq3 h ILE 85 Ca -0.00 -0.17 -0.03 0.00 -0.12 0.00 0.00 64.86 64.54 1iq3 h ILE 85 Cb 0.44 1.04 -0.00 0.00 -3.03 0.00 0.00 36.82 35.27 1iq3 h ILE 85 CO 0.01 0.04 -0.14 0.58 -0.68 0.00 0.00 178.15 177.96 1iq3 h VAL 86 N -0.23 0.41 0.00 1.67 2.07 -1.57 -2.44 116.25 116.16 1iq3 h VAL 86 Ca -0.02 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1iq3 h VAL 86 Cb 0.18 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1iq3 h VAL 86 CO 0.03 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.75 1iq3 n ALA 87 N -2.20 1.59 1.69 1.67 0.00 0.62 -1.89 120.51 121.99 1iq3 n ALA 87 Ca -0.00 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.59 1iq3 n ALA 87 Cb 0.34 -1.29 0.64 0.00 0.00 0.00 0.00 19.45 19.14 1iq3 n ALA 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1iq3 n ARG 88 N -1.85 1.36 -0.03 0.00 3.00 -0.92 -1.49 116.66 116.74 1iq3 n ARG 88 Ca 0.02 -0.53 -0.02 0.00 -0.00 0.00 0.00 57.85 57.33 1iq3 n ARG 88 Cb 0.18 -1.44 -0.01 0.00 0.00 0.00 0.00 32.46 31.19 1iq3 n ARG 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1iq3 n LYS 89 N -0.33 0.16 0.00 -0.14 4.76 -0.79 -4.42 118.16 117.40 1iq3 n LYS 89 Ca 0.19 0.17 0.08 0.00 -2.87 0.00 0.00 58.31 55.89 1iq3 n LYS 89 Cb 0.23 -0.90 0.48 0.00 -1.84 0.00 0.00 35.03 32.99 1iq3 n LYS 89 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1iq3 n ASN 90 N -3.10 0.00 -2.64 4.39 3.02 -1.26 -4.86 115.26 110.81 1iq3 n ASN 90 Ca -0.04 -1.22 -0.11 0.00 -0.03 0.00 0.00 54.58 53.18 1iq3 n ASN 90 Cb 0.14 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.37 1iq3 n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iq3 n GLY 91 N 0.58 -0.11 3.45 7.41 0.00 -1.16 -4.97 105.19 110.39 1iq3 n GLY 91 Ca 0.12 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.10 -1.15 -0.25 1.61 4.02 -0.55 -4.97 117.16 112.76 1iq3 n TYR 92 Ca -0.19 -0.06 -0.26 0.00 -0.01 0.00 0.00 57.90 57.38 1iq3 n TYR 92 Cb 0.61 -1.70 0.25 0.00 -0.02 0.00 0.00 39.34 38.49 1iq3 n TYR 92 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1iq3 n PRO 93 N -4.34 -4.13 -3.77 -0.72 -0.02 -1.26 -4.96 135.00 115.80 1iq3 n PRO 93 Ca 0.03 -1.25 -0.35 0.00 -2.02 0.00 0.00 63.50 59.91 1iq3 n PRO 93 Cb 0.55 -1.73 -0.11 0.00 -0.02 0.00 0.00 33.50 32.20 1iq3 n PRO 93 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1iq3 s LEU 94 N 0.00 5.08 0.02 2.45 2.01 -1.26 -4.97 118.68 122.01 1iq3 s LEU 94 Ca 0.58 -2.74 -0.09 0.00 0.01 0.00 0.00 54.13 51.89 1iq3 s LEU 94 Cb -0.10 -1.81 -0.05 0.00 0.01 0.00 0.00 46.19 44.24 1iq3 s LEU 94 CO 0.48 -0.37 1.13 -0.65 1.01 0.00 0.00 176.35 177.95 1iq3 h PRO 95 N 7.12 -0.30 0.00 1.29 0.11 -1.98 -3.49 132.00 134.75 1iq3 h PRO 95 Ca -0.04 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1iq3 h PRO 95 Cb 0.96 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1iq3 h PRO 95 CO 0.70 -0.20 0.00 -1.91 -0.21 0.00 0.00 178.00 176.38 1iq3 n GLU 96 N -2.90 0.00 0.00 1.05 2.13 -1.26 -5.08 120.64 114.57 1iq3 n GLU 96 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1iq3 n GLU 96 Cb 0.12 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.83 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 0.00 1.82 2.70 8.31 0.00 -1.26 -4.83 105.19 111.94 1iq3 n GLY 97 Ca 0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.01 -4.36 0.99 0.00 -1.26 -5.14 117.00 105.22 1iq3 n LEU 98 Ca 0.00 -3.63 -0.30 0.00 0.00 0.00 0.00 56.01 52.08 1iq3 n LEU 98 Cb 0.00 0.53 0.28 0.00 0.00 0.00 0.00 43.42 44.23 1iq3 n LEU 98 CO 0.00 2.00 0.44 -2.16 0.00 0.00 0.00 177.39 177.67 1iq3 s PRO 99 N 0.11 -2.43 -0.87 1.96 0.04 -1.26 -4.76 135.00 127.78 1iq3 s PRO 99 Ca 0.23 0.26 -0.25 0.00 0.04 0.00 0.00 61.00 61.27 1iq3 s PRO 99 Cb 0.34 -1.43 -0.12 0.00 0.04 0.00 0.00 34.50 33.34 1iq3 s PRO 99 CO -0.07 -4.58 2.22 -1.25 0.04 0.00 0.00 177.00 173.37 1iq3 s PRO 100 N -4.97 1.89 -0.15 0.56 0.04 -1.26 -4.48 135.00 126.63 1iq3 s PRO 100 Ca 0.69 0.10 0.11 0.00 0.04 0.00 0.00 61.00 61.93 1iq3 s PRO 100 Cb -0.15 -4.91 0.27 0.00 0.04 0.00 0.00 34.50 29.74 1iq3 s PRO 100 CO 0.59 -4.21 1.23 -2.37 0.04 0.00 0.00 177.00 172.29 1iq3 n THR 101 N 8.50 0.15 0.05 1.26 5.66 -1.26 -4.97 114.28 123.67 1iq3 n THR 101 Ca 0.44 -0.84 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 1iq3 n THR 101 Cb 0.45 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 70.07 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 -0.57 0.34 -3.51 1.09 7.94 -1.26 -5.02 117.00 116.01 1iq3 n LEU 102 Ca -0.16 0.15 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 1iq3 n LEU 102 Cb 0.84 -0.02 -0.00 0.00 0.53 0.00 0.00 43.42 44.76 1iq3 n LEU 102 CO -0.11 -0.51 -0.04 0.00 -1.11 0.00 0.00 177.39 175.62 1iq3 n GLN 103 N -3.19 -0.95 -0.01 1.96 10.64 -1.26 -4.79 117.38 119.79 1iq3 n GLN 103 Ca 0.00 -0.32 -0.09 0.00 -1.83 0.00 0.00 57.00 54.76 1iq3 n GLN 103 Cb 0.14 0.17 -0.08 0.00 -0.86 0.00 0.00 30.24 29.61 1iq3 n GLN 103 CO 0.00 0.00 0.00 -1.35 -1.83 0.00 0.00 177.06 173.88 1iq3 h PRO 104 N 1.79 -0.09 -0.02 2.61 0.11 -2.03 -3.35 132.00 131.02 1iq3 h PRO 104 Ca -0.11 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1iq3 h PRO 104 Cb 0.22 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1iq3 h PRO 104 CO 0.09 0.42 -0.27 -1.91 -0.21 0.00 0.00 178.00 176.12 1iq3 n GLU 105 N -4.79 1.38 -1.14 1.05 2.13 -1.26 -4.24 120.64 113.78 1iq3 n GLU 105 Ca -0.07 -1.04 -0.26 0.00 0.66 0.00 0.00 57.16 56.46 1iq3 n GLU 105 Cb 0.27 -1.48 0.09 0.00 0.27 0.00 0.00 31.44 30.60 1iq3 n GLU 105 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1iq3 n PHE 106 N 0.09 2.66 -0.09 4.31 3.72 -1.26 -4.31 117.46 122.60 1iq3 n PHE 106 Ca 0.12 -2.34 -0.15 0.00 -0.05 0.00 0.00 57.45 55.03 1iq3 n PHE 106 Cb 0.45 -1.14 -0.14 0.00 -0.94 0.00 0.00 39.48 37.71 1iq3 n PHE 106 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1iq3 n ILE 107 N -0.64 1.52 -2.86 4.37 2.08 -1.26 -4.01 119.36 118.56 1iq3 n ILE 107 Ca 0.52 -0.69 -0.43 0.00 0.56 0.00 0.00 62.75 62.70 1iq3 n ILE 107 Cb 0.92 -1.14 -0.04 0.00 -0.75 0.00 0.00 39.64 38.63 1iq3 n ILE 107 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1iq3 s VAL 108 N -2.53 4.35 -0.89 1.39 1.01 -1.26 -4.28 120.40 118.20 1iq3 s VAL 108 Ca -0.22 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 1iq3 s VAL 108 Cb 0.08 -4.63 0.06 0.00 0.00 0.00 0.00 36.38 31.89 1iq3 s VAL 108 CO 0.72 -1.33 0.25 0.41 0.00 0.00 0.00 175.10 175.14 1iq3 n THR 109 N 6.00 -0.44 -0.35 3.92 -1.04 -1.26 -5.17 114.28 115.94 1iq3 n THR 109 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1iq3 n THR 109 Cb 0.46 -1.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 1iq3 n THR 109 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76