#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 -6.52 -0.26 1.61 2.88 -1.26 -4.71 113.62 105.36 1iq3 n SER 2 Ca 0.00 0.97 0.08 0.00 -1.33 0.00 0.00 58.87 58.59 1iq3 n SER 2 Cb 0.00 -4.13 0.15 0.00 -0.75 0.00 0.00 64.21 59.47 1iq3 n SER 2 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1iq3 n LEU 3 N -3.93 2.25 -1.14 2.46 7.94 -1.26 -5.11 117.00 118.21 1iq3 n LEU 3 Ca -0.05 -3.13 0.14 0.00 -1.11 0.00 0.00 56.01 51.86 1iq3 n LEU 3 Cb 0.60 -0.42 -0.07 0.00 0.53 0.00 0.00 43.42 44.06 1iq3 n LEU 3 CO 0.03 0.85 -0.48 1.67 -1.11 0.00 0.00 177.39 178.35 1iq3 n GLN 4 N -1.22 -2.61 -1.20 1.96 -0.06 -1.26 -4.81 117.38 108.17 1iq3 n GLN 4 Ca 0.15 2.10 0.04 0.00 -2.00 0.00 0.00 57.00 57.29 1iq3 n GLN 4 Cb 0.67 -3.07 0.09 0.00 -4.06 0.00 0.00 30.24 23.87 1iq3 n GLN 4 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1iq3 n ASP 5 N -3.88 1.33 -2.87 1.69 5.75 -1.26 -4.87 116.55 112.44 1iq3 n ASP 5 Ca -0.06 -2.73 -0.12 0.00 -0.01 0.00 0.00 54.79 51.87 1iq3 n ASP 5 Cb 0.54 -0.39 0.05 0.00 -1.03 0.00 0.00 41.12 40.29 1iq3 n ASP 5 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1iq3 n ASN 6 N -0.14 -1.18 -2.71 -1.12 5.15 -1.26 -4.98 115.26 109.01 1iq3 n ASN 6 Ca 0.11 -3.37 -0.08 0.00 -0.60 0.00 0.00 54.58 50.64 1iq3 n ASN 6 Cb 0.97 0.98 0.11 0.00 -0.53 0.00 0.00 39.78 41.31 1iq3 n ASN 6 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1iq3 n SER 7 N 0.26 -2.03 -4.76 1.20 7.64 -1.26 -5.13 113.62 109.53 1iq3 n SER 7 Ca 0.12 -2.94 -0.39 0.00 1.01 0.00 0.00 58.87 56.66 1iq3 n SER 7 Cb 0.70 1.35 -0.05 0.00 -1.01 0.00 0.00 64.21 65.20 1iq3 n SER 7 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1iq3 s SER 8 N -1.25 7.09 -0.24 6.43 1.04 -1.26 -5.03 113.70 120.47 1iq3 s SER 8 Ca 0.22 1.30 -0.23 0.00 0.48 0.00 0.00 55.95 57.72 1iq3 s SER 8 Cb 0.36 -2.41 -0.01 0.00 0.10 0.00 0.00 66.02 64.06 1iq3 s SER 8 CO -0.07 0.10 0.74 -0.31 0.98 0.00 0.00 173.24 174.67 1iq3 s TYR 9 N -0.30 3.30 0.00 5.02 2.02 -1.26 -5.04 117.35 121.09 1iq3 s TYR 9 Ca 0.34 1.00 0.00 0.00 -0.37 0.00 0.00 57.07 58.03 1iq3 s TYR 9 Cb -0.19 -2.95 0.00 0.00 -0.40 0.00 0.00 41.96 38.41 1iq3 s TYR 9 CO 0.20 -0.36 0.00 -2.30 -1.57 0.00 0.00 175.55 171.52 1iq3 n PRO 10 N 5.84 1.64 -0.52 -1.71 -0.02 -1.26 -4.74 135.00 134.23 1iq3 n PRO 10 Ca 0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.41 1iq3 n PRO 10 Cb 0.48 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.03 1iq3 n PRO 10 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1iq3 n ASP 11 N 0.00 3.46 0.09 2.55 -0.08 -1.26 -4.20 116.55 117.11 1iq3 n ASP 11 Ca 0.00 -2.67 -0.23 0.00 -1.51 0.00 0.00 54.79 50.38 1iq3 n ASP 11 Cb 0.00 -0.66 -0.15 0.00 2.34 0.00 0.00 41.12 42.65 1iq3 n ASP 11 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1iq3 h GLU 12 N 0.46 0.42 0.00 -0.67 4.39 -1.96 -3.42 114.58 113.79 1iq3 h GLU 12 Ca 0.26 -0.71 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1iq3 h GLU 12 Cb 1.72 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 30.64 1iq3 h GLU 12 CO 0.46 1.34 0.00 -0.35 -1.16 0.00 0.00 179.01 179.30 1iq3 n PRO 13 N -3.82 0.00 -0.51 2.33 -0.04 -1.26 -4.97 135.00 126.72 1iq3 n PRO 13 Ca -0.19 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.25 1iq3 n PRO 13 Cb 1.01 -0.41 -0.02 0.00 -0.04 0.00 0.00 33.50 34.04 1iq3 n PRO 13 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1iq3 n TRP 14 N -0.32 0.00 -1.75 0.54 4.27 -1.26 -4.95 117.44 113.97 1iq3 n TRP 14 Ca 0.00 -0.13 -0.42 0.00 -3.89 0.00 0.00 57.50 53.07 1iq3 n TRP 14 Cb 0.00 0.29 -0.00 0.00 -1.36 0.00 0.00 31.31 30.24 1iq3 n TRP 14 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1iq3 n ARG 15 N 0.00 2.52 -0.50 -2.67 1.74 -1.26 -5.00 116.66 111.50 1iq3 n ARG 15 Ca -0.07 0.88 -0.03 0.00 -0.77 0.00 0.00 57.85 57.86 1iq3 n ARG 15 Cb 0.36 -2.57 0.02 0.00 -1.02 0.00 0.00 32.46 29.24 1iq3 n ARG 15 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1iq3 n ILE 16 N 0.44 0.00 -2.13 0.55 -0.00 -1.26 -4.94 119.36 112.02 1iq3 n ILE 16 Ca 0.02 -0.14 -0.38 0.00 -0.00 0.00 0.00 62.75 62.25 1iq3 n ILE 16 Cb 0.38 -1.67 0.03 0.00 -0.00 0.00 0.00 39.64 38.38 1iq3 n ILE 16 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1iq3 n THR 17 N -1.91 3.73 -1.92 7.28 -2.24 -1.26 -4.81 114.28 113.16 1iq3 n THR 17 Ca 0.02 -4.66 -0.05 0.00 -2.27 0.00 0.00 64.05 57.09 1iq3 n THR 17 Cb 0.07 -1.29 -0.01 0.00 -2.10 0.00 0.00 70.33 67.00 1iq3 n THR 17 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iq3 n GLU 18 N -0.46 -2.03 -0.00 -0.78 -0.58 -1.26 -4.61 120.64 110.91 1iq3 n GLU 18 Ca 0.50 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 57.49 1iq3 n GLU 18 Cb 0.30 -4.60 -0.00 0.00 -0.57 0.00 0.00 31.44 26.58 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 -2.07 1.18 0.00 3.49 1.02 -1.26 -4.56 120.64 118.44 1iq3 n GLU 19 Ca -0.05 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1iq3 n GLU 19 Cb 0.38 -0.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 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 -1.42 6.01 0.04 3.49 10.64 -1.26 -4.63 117.38 130.24 1iq3 n GLN 20 Ca -0.00 -0.01 0.03 0.00 -1.83 0.00 0.00 57.00 55.19 1iq3 n GLN 20 Cb 0.00 -0.45 -0.08 0.00 -0.86 0.00 0.00 30.24 28.86 1iq3 n GLN 20 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1iq3 n ARG 21 N -0.86 0.62 0.18 2.61 0.63 -1.26 -3.90 116.66 114.68 1iq3 n ARG 21 Ca 0.00 0.15 0.02 0.00 -0.92 0.00 0.00 57.85 57.10 1iq3 n ARG 21 Cb 0.00 -1.77 0.33 0.00 0.45 0.00 0.00 32.46 31.47 1iq3 n ARG 21 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1iq3 h GLU 22 N 0.00 0.02 -0.11 -0.14 4.39 -1.82 -2.74 114.58 114.17 1iq3 h GLU 22 Ca -0.14 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.37 1iq3 h GLU 22 Cb 1.45 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.09 1iq3 h GLU 22 CO 0.03 0.41 -0.68 -0.92 -1.16 0.00 0.00 179.01 176.68 1iq3 h TYR 23 N 0.01 0.63 -0.42 4.33 5.03 -1.84 -2.86 116.97 121.86 1iq3 h TYR 23 Ca -0.00 -0.26 -0.03 0.00 2.58 0.00 0.00 58.73 61.01 1iq3 h TYR 23 Cb 0.70 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.86 1iq3 h TYR 23 CO 0.00 1.02 0.14 1.88 -1.32 0.00 0.00 178.16 179.88 1iq3 h TYR 24 N 0.34 0.66 -0.52 -3.82 0.05 -1.61 -2.63 116.97 109.43 1iq3 h TYR 24 Ca -0.02 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.66 1iq3 h TYR 24 Cb 1.25 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.78 1iq3 h TYR 24 CO 0.05 0.59 0.18 0.28 -1.05 0.00 0.00 178.16 178.21 1iq3 h VAL 25 N 0.53 1.20 0.00 -2.88 2.07 -1.52 -1.19 116.25 114.47 1iq3 h VAL 25 Ca 0.14 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1iq3 h VAL 25 Cb 0.23 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1iq3 h VAL 25 CO -0.01 0.25 0.02 0.78 0.02 0.00 0.00 177.57 178.63 1iq3 h ASN 26 N 0.75 0.00 0.00 0.57 2.35 -1.23 -2.67 115.58 115.36 1iq3 h ASN 26 Ca 0.18 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1iq3 h ASN 26 Cb 0.19 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1iq3 h ASN 26 CO -0.01 0.00 -0.20 -0.61 -1.65 0.00 0.00 177.43 174.95 1iq3 h GLN 27 N 0.00 0.00 -1.33 0.81 5.75 -1.15 -3.13 115.11 116.06 1iq3 h GLN 27 Ca 0.00 0.00 0.39 0.00 -0.15 0.00 0.00 58.65 58.89 1iq3 h GLN 27 Cb 0.04 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.52 1iq3 h GLN 27 CO 0.00 0.17 0.93 0.35 -2.65 0.00 0.00 178.83 177.63 1iq3 h PHE 28 N -1.00 0.15 -0.05 3.99 3.04 -1.41 0.20 116.94 121.86 1iq3 h PHE 28 Ca -0.02 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 1iq3 h PHE 28 Cb 0.32 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.79 1iq3 h PHE 28 CO -0.02 -0.01 -0.07 -0.09 -2.02 0.00 0.00 178.31 176.10 1iq3 h ARG 29 N 0.07 0.14 -1.70 1.11 1.12 -1.58 -1.36 114.38 112.17 1iq3 h ARG 29 Ca 0.67 -0.08 0.51 0.00 -1.11 0.00 0.00 59.98 59.97 1iq3 h ARG 29 Cb 2.48 0.01 -0.09 0.00 -0.01 0.00 0.00 29.97 32.35 1iq3 h ARG 29 CO -0.09 0.62 1.20 0.77 -3.11 0.00 0.00 179.97 179.36 1iq3 h SER 30 N -0.34 0.06 0.15 -3.80 0.02 -0.54 0.57 113.55 109.67 1iq3 h SER 30 Ca 0.01 0.04 -0.36 0.00 -0.84 0.00 0.00 61.79 60.64 1iq3 h SER 30 Cb 0.61 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 1iq3 h SER 30 CO 0.02 -0.06 -2.12 0.18 -1.14 0.00 0.00 176.83 173.71 1iq3 n LEU 31 N -4.18 2.01 -4.64 5.07 4.77 -1.15 -4.84 117.00 114.05 1iq3 n LEU 31 Ca 0.40 0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 56.12 1iq3 n LEU 31 Cb 1.77 -0.58 -0.08 0.00 -2.33 0.00 0.00 43.42 42.20 1iq3 n LEU 31 CO 0.37 0.73 0.19 -1.10 -1.33 0.00 0.00 177.39 176.26 1iq3 s GLN 32 N -2.55 4.11 0.55 3.23 -1.52 0.20 -4.93 119.66 118.75 1iq3 s GLN 32 Ca -0.20 0.27 0.27 0.00 -1.95 0.00 0.00 55.36 53.76 1iq3 s GLN 32 Cb 0.07 -3.61 1.46 0.00 -0.22 0.00 0.00 33.01 30.71 1iq3 s GLN 32 CO 0.74 -0.23 1.97 -1.35 -0.25 0.00 0.00 175.29 176.17 1iq3 h PRO 33 N 7.79 0.00 -6.37 2.91 0.11 -1.89 -3.41 132.00 131.13 1iq3 h PRO 33 Ca -0.32 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.24 1iq3 h PRO 33 Cb 1.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1iq3 h PRO 33 CO 0.71 0.00 -0.11 -0.51 -0.21 0.00 0.00 178.00 177.88 1iq3 s ASP 34 N -5.84 6.71 0.53 -2.05 1.11 -1.26 -4.96 116.67 110.92 1iq3 s ASP 34 Ca -0.05 0.99 0.31 0.00 0.18 0.00 0.00 52.55 53.98 1iq3 s ASP 34 Cb 0.18 -2.25 1.44 0.00 1.07 0.00 0.00 42.92 43.37 1iq3 s ASP 34 CO 0.67 0.01 2.03 1.55 1.18 0.00 0.00 175.17 180.62 1iq3 h PRO 35 N 3.04 0.00 -1.86 8.23 0.13 -1.93 -3.36 132.00 136.25 1iq3 h PRO 35 Ca -0.48 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.22 1iq3 h PRO 35 Cb 1.18 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.01 1iq3 h PRO 35 CO 0.67 0.09 -0.80 0.43 -0.23 0.00 0.00 178.00 178.16 1iq3 n SER 36 N -3.32 -1.56 0.00 1.44 7.64 -1.26 -4.83 113.62 111.72 1iq3 n SER 36 Ca -0.01 -2.58 0.00 0.00 1.01 0.00 0.00 58.87 57.30 1iq3 n SER 36 Cb 0.28 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1iq3 n SER 36 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1iq3 n SER 37 N 2.85 0.87 -4.30 6.43 7.64 -1.26 -4.86 113.62 121.00 1iq3 n SER 37 Ca 0.25 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.81 1iq3 n SER 37 Cb 0.51 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.55 1iq3 n SER 37 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1iq3 s PHE 38 N 0.13 2.63 0.36 1.43 -0.12 -1.26 0.81 117.98 121.96 1iq3 s PHE 38 Ca 0.00 -0.79 -0.05 0.00 -0.05 0.00 0.00 56.93 56.04 1iq3 s PHE 38 Cb 0.00 -1.73 -0.05 0.00 -0.63 0.00 0.00 43.02 40.62 1iq3 s PHE 38 CO 0.00 -0.27 0.64 0.42 -0.05 0.00 0.00 175.22 175.96 1iq3 s ILE 39 N 0.17 4.96 0.03 -4.49 1.01 -0.46 -4.85 121.20 117.57 1iq3 s ILE 39 Ca -0.11 0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.66 1iq3 s ILE 39 Cb -0.16 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.54 1iq3 s ILE 39 CO 0.06 -0.50 0.03 -1.20 0.00 0.00 0.00 174.94 173.33 1iq3 n SER 40 N -1.39 -1.28 0.00 3.58 7.64 -1.26 -1.67 113.62 119.24 1iq3 n SER 40 Ca -0.01 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.48 1iq3 n SER 40 Cb 0.54 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1iq3 n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iq3 n GLY 41 N 1.72 0.87 0.41 0.23 0.00 0.87 -3.67 105.19 105.62 1iq3 n GLY 41 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 1iq3 n GLY 41 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1iq3 h SER 42 N 0.00 0.00 -0.24 1.61 0.02 -1.96 0.99 113.55 113.97 1iq3 h SER 42 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1iq3 h SER 42 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1iq3 h SER 42 CO 0.00 0.00 0.09 0.58 -1.14 0.00 0.00 176.83 176.36 1iq3 h VAL 43 N 0.00 1.17 0.00 2.27 2.07 -1.94 -0.39 116.25 119.43 1iq3 h VAL 43 Ca 0.23 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1iq3 h VAL 43 Cb 1.42 1.07 0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1iq3 h VAL 43 CO -0.00 0.17 -0.28 0.00 0.02 0.00 0.00 177.57 177.47 1iq3 h ALA 44 N 0.94 0.03 0.00 1.67 0.00 -0.91 -3.04 119.26 117.95 1iq3 h ALA 44 Ca 0.08 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1iq3 h ALA 44 Cb 0.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1iq3 h ALA 44 CO -0.01 0.11 0.11 -0.22 0.00 0.00 0.00 179.25 179.24 1iq3 h LYS 45 N -0.49 0.00 0.48 0.00 3.64 -1.33 -1.23 116.57 117.64 1iq3 h LYS 45 Ca -0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1iq3 h LYS 45 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1iq3 h LYS 45 CO 0.06 0.00 -0.23 -0.97 -2.27 0.00 0.00 179.45 176.04 1iq3 h ASN 46 N 0.00 -0.54 0.81 4.20 -0.73 -0.93 -3.12 115.58 115.25 1iq3 h ASN 46 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1iq3 h ASN 46 Cb 0.22 0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.95 1iq3 h ASN 46 CO 0.00 -0.36 -0.71 2.19 -0.37 0.00 0.00 177.43 178.18 1iq3 h PHE 47 N -0.68 0.00 -0.21 0.67 -5.15 -1.55 -3.33 116.94 106.69 1iq3 h PHE 47 Ca -0.07 0.00 0.06 0.00 -0.20 0.00 0.00 57.97 57.77 1iq3 h PHE 47 Cb 0.51 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.67 1iq3 h PHE 47 CO -0.03 0.00 0.35 0.74 -2.00 0.00 0.00 178.31 177.37 1iq3 h PHE 48 N 0.00 0.00 -1.30 6.09 -1.00 -1.18 -1.98 116.94 117.57 1iq3 h PHE 48 Ca 0.00 0.00 0.38 0.00 2.81 0.00 0.00 57.97 61.16 1iq3 h PHE 48 Cb 0.76 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.27 1iq3 h PHE 48 CO 0.00 0.00 1.14 0.00 -1.61 0.00 0.00 178.31 177.84 1iq3 h THR 49 N 0.00 0.11 -0.65 -1.55 1.03 -1.68 -3.30 112.91 106.88 1iq3 h THR 49 Ca 0.10 0.00 -0.36 0.00 -0.01 0.00 0.00 66.41 66.14 1iq3 h THR 49 Cb 0.80 0.15 -0.05 0.00 -1.07 0.00 0.00 68.15 67.98 1iq3 h THR 49 CO -0.00 0.00 1.03 -1.59 -0.01 0.00 0.00 175.52 174.95 1iq3 s LYS 50 N -4.68 2.70 0.00 0.00 -2.85 -0.75 -3.16 119.74 111.00 1iq3 s LYS 50 Ca -0.04 -0.84 0.00 0.00 -1.00 0.00 0.00 55.97 54.09 1iq3 s LYS 50 Cb 0.20 -5.19 0.00 0.00 -2.06 0.00 0.00 37.83 30.78 1iq3 s LYS 50 CO 0.68 -3.48 0.00 -1.13 0.10 0.00 0.00 175.35 171.52 1iq3 n SER 51 N 13.40 0.00 0.14 0.03 3.41 -1.24 -4.94 113.62 124.41 1iq3 n SER 51 Ca 0.42 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 1iq3 n SER 51 Cb 0.47 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.91 1iq3 n SER 51 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1iq3 n LYS 52 N 0.00 0.22 0.00 4.33 -0.00 -1.19 -4.87 118.16 116.65 1iq3 n LYS 52 Ca 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 58.31 58.72 1iq3 n LYS 52 Cb 0.00 -1.89 0.00 0.00 -0.00 0.00 0.00 35.03 33.14 1iq3 n LYS 52 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1iq3 n LEU 53 N -2.29 0.00 0.00 -5.58 4.77 -1.26 -2.11 117.00 110.52 1iq3 n LEU 53 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1iq3 n LEU 53 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1iq3 n LEU 53 CO 0.21 0.00 -0.49 -0.24 -1.33 0.00 0.00 177.39 175.54 1iq3 n SER 54 N 2.36 2.40 -4.79 -1.43 2.88 -1.26 -5.03 113.62 108.75 1iq3 n SER 54 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 1iq3 n SER 54 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 -1.99 4.47 1.22 2.46 2.07 -0.90 -5.05 121.20 123.47 1iq3 s ILE 55 Ca 0.00 1.53 -0.16 0.00 -1.41 0.00 0.00 60.65 60.61 1iq3 s ILE 55 Cb 0.00 -4.03 0.29 0.00 0.13 0.00 0.00 42.46 38.85 1iq3 s ILE 55 CO 0.00 0.44 1.02 -2.16 -1.91 0.00 0.00 174.94 172.33 1iq3 s PRO 56 N -1.36 -1.31 0.00 3.50 0.04 -1.26 -4.60 135.00 130.00 1iq3 s PRO 56 Ca 0.37 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1iq3 s PRO 56 Cb -0.21 -1.54 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1iq3 s PRO 56 CO 0.24 -3.90 0.00 -0.85 0.04 0.00 0.00 177.00 172.53 1iq3 n GLU 57 N -4.99 0.00 0.24 4.56 0.28 -1.26 -4.97 120.64 114.50 1iq3 n GLU 57 Ca 0.06 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.19 1iq3 n GLU 57 Cb 0.57 0.00 0.50 0.00 1.43 0.00 0.00 31.44 33.94 1iq3 n GLU 57 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1iq3 h LEU 58 N 0.00 0.00 -0.36 -1.84 3.38 -1.97 0.27 115.31 114.80 1iq3 h LEU 58 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1iq3 h LEU 58 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1iq3 h LEU 58 CO 0.00 0.00 0.20 0.28 0.09 0.00 0.00 178.44 179.01 1iq3 h SER 59 N 0.00 0.44 0.55 -0.43 0.02 -2.00 -1.77 113.55 110.37 1iq3 h SER 59 Ca 0.08 -0.09 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 1iq3 h SER 59 Cb 1.41 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 1iq3 h SER 59 CO -0.00 0.40 -1.40 0.10 -1.14 0.00 0.00 176.83 174.79 1iq3 h TYR 60 N 0.45 0.42 -0.31 3.45 -0.00 -1.38 -2.79 116.97 116.80 1iq3 h TYR 60 Ca 0.13 -0.30 0.03 0.00 0.00 0.00 0.00 58.73 58.58 1iq3 h TYR 60 Cb 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 36.73 36.74 1iq3 h TYR 60 CO -0.03 1.30 0.12 0.82 -0.00 0.00 0.00 178.16 180.37 1iq3 h ILE 61 N 0.06 0.93 -0.23 -0.90 1.08 -1.41 -2.46 117.51 114.58 1iq3 h ILE 61 Ca -0.19 -0.09 -0.18 0.00 -0.39 0.00 0.00 64.86 64.02 1iq3 h ILE 61 Cb 1.98 0.64 -0.00 0.00 -3.07 0.00 0.00 36.82 36.38 1iq3 h ILE 61 CO 0.17 0.05 -0.56 -0.25 -0.69 0.00 0.00 178.15 176.87 1iq3 h TRP 62 N 0.26 0.90 -1.04 1.37 2.91 -1.44 -2.42 115.95 116.50 1iq3 h TRP 62 Ca 0.14 -0.32 0.28 0.00 1.13 0.00 0.00 58.89 60.11 1iq3 h TRP 62 Cb 0.10 -0.17 -0.07 0.00 -0.51 0.00 0.00 29.16 28.51 1iq3 h TRP 62 CO -0.13 1.11 0.70 1.49 -1.03 0.00 0.00 178.44 180.59 1iq3 h GLU 63 N 0.55 0.21 0.00 2.65 4.81 -1.16 0.19 114.58 121.83 1iq3 h GLU 63 Ca 0.01 -0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 1iq3 h GLU 63 Cb 1.13 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.42 1iq3 h GLU 63 CO 0.11 0.14 -1.66 1.28 -0.73 0.00 0.00 179.01 178.16 1iq3 n LEU 64 N -4.43 0.85 0.25 1.64 4.77 -1.06 -3.96 117.00 115.05 1iq3 n LEU 64 Ca 0.23 0.40 0.07 0.00 -0.03 0.00 0.00 56.01 56.68 1iq3 n LEU 64 Cb 0.97 0.16 0.59 0.00 -2.33 0.00 0.00 43.42 42.81 1iq3 n LEU 64 CO 0.32 0.33 0.99 -1.28 -1.33 0.00 0.00 177.39 176.43 1iq3 h SER 65 N 0.00 0.00 -1.89 -1.43 0.87 -0.15 -3.43 113.55 107.51 1iq3 h SER 65 Ca -0.26 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 59.80 1iq3 h SER 65 Cb 1.92 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.84 1iq3 h SER 65 CO 0.07 0.09 -0.46 -0.62 -0.53 0.00 0.00 176.83 175.38 1iq3 s ASP 66 N -6.96 5.30 0.00 6.23 2.15 -0.76 -4.79 116.67 117.85 1iq3 s ASP 66 Ca -0.04 -0.47 0.00 0.00 0.43 0.00 0.00 52.55 52.46 1iq3 s ASP 66 Cb 0.16 -1.02 0.00 0.00 -0.30 0.00 0.00 42.92 41.76 1iq3 s ASP 66 CO 0.67 -0.31 0.81 0.00 -0.17 0.00 0.00 175.17 176.17 1iq3 n ALA 67 N -1.34 1.75 -1.61 3.66 0.00 -1.26 -4.86 120.51 116.85 1iq3 n ALA 67 Ca -0.03 -0.76 -0.02 0.00 0.00 0.00 0.00 53.44 52.64 1iq3 n ALA 67 Cb 0.60 -0.33 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.24 -2.54 0.00 5.68 -1.26 -4.97 116.55 113.22 1iq3 n ASP 68 Ca 0.00 -0.73 -0.05 0.00 -0.50 0.00 0.00 54.79 53.52 1iq3 n ASP 68 Cb 0.63 0.07 -0.01 0.00 -1.14 0.00 0.00 41.12 40.67 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 -1.44 0.05 -0.00 0.00 5.75 -1.26 -4.79 116.55 114.85 1iq3 n ASP 70 Ca 0.01 0.52 -0.00 0.00 -0.01 0.00 0.00 54.79 55.31 1iq3 n ASP 70 Cb 0.44 -0.52 -0.00 0.00 -1.03 0.00 0.00 41.12 40.01 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 -0.83 0.46 3.27 6.12 0.00 -1.26 -4.99 105.19 107.95 1iq3 n GLY 71 Ca 0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.93 -0.55 -0.08 4.61 0.00 -1.26 -0.09 121.76 122.46 1iq3 s ALA 72 Ca 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 1iq3 s ALA 72 Cb 0.00 0.60 0.04 0.00 0.00 0.00 0.00 23.12 23.77 1iq3 s ALA 72 CO 0.00 -0.58 0.15 -0.51 0.00 0.00 0.00 175.76 174.81 1iq3 s LEU 73 N -2.84 0.04 1.16 0.00 1.02 -0.67 -4.92 118.68 112.47 1iq3 s LEU 73 Ca 0.05 0.30 -0.13 0.00 0.02 0.00 0.00 54.13 54.36 1iq3 s LEU 73 Cb 0.03 0.24 0.28 0.00 0.02 0.00 0.00 46.19 46.76 1iq3 s LEU 73 CO -0.11 -0.23 1.03 0.42 0.02 0.00 0.00 176.35 177.48 1iq3 s THR 74 N 2.15 1.96 0.22 5.49 -4.23 -1.26 -1.36 115.64 118.62 1iq3 s THR 74 Ca 0.02 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.45 1iq3 s THR 74 Cb -0.12 -2.15 0.17 0.00 1.34 0.00 0.00 72.50 71.74 1iq3 s THR 74 CO -0.05 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.10 1iq3 h LEU 75 N -2.58 0.65 -2.00 4.79 7.12 0.07 0.99 115.31 124.35 1iq3 h LEU 75 Ca -0.60 0.03 0.08 0.00 0.13 0.00 0.00 57.88 57.51 1iq3 h LEU 75 Cb 1.34 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.35 1iq3 h LEU 75 CO 0.51 0.42 0.20 -0.65 -0.13 0.00 0.00 178.44 178.79 1iq3 h PRO 76 N 0.78 0.00 -0.05 5.25 0.11 -1.90 -0.06 132.00 136.14 1iq3 h PRO 76 Ca 0.32 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.18 1iq3 h PRO 76 Cb 0.18 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.31 1iq3 h PRO 76 CO -0.18 0.00 -0.96 0.93 -0.21 0.00 0.00 178.00 177.58 1iq3 h GLU 77 N 0.00 0.74 0.00 1.05 5.08 -1.13 -3.11 114.58 117.20 1iq3 h GLU 77 Ca 0.13 -0.73 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 1iq3 h GLU 77 Cb 0.52 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1iq3 h GLU 77 CO -0.00 1.31 0.00 0.35 -1.00 0.00 0.00 179.01 179.67 1iq3 h PHE 78 N 0.44 0.00 0.74 4.33 3.04 -0.47 -2.89 116.94 122.13 1iq3 h PHE 78 Ca -0.11 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.81 1iq3 h PHE 78 Cb 1.61 0.00 0.01 0.00 2.56 0.00 0.00 35.95 40.13 1iq3 h PHE 78 CO 0.10 0.00 -0.35 0.00 -2.02 0.00 0.00 178.31 176.04 1iq3 h ALA 80 N -0.79 0.94 -0.08 0.00 0.00 -1.66 -3.09 119.26 114.58 1iq3 h ALA 80 Ca -0.10 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.36 1iq3 h ALA 80 Cb 0.77 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1iq3 h ALA 80 CO 0.17 0.67 -0.15 0.00 0.00 0.00 0.00 179.25 179.93 1iq3 h ALA 81 N 1.24 -0.12 -0.11 0.00 0.00 -1.39 -2.60 119.26 116.28 1iq3 h ALA 81 Ca 0.01 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1iq3 h ALA 81 Cb 0.98 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1iq3 h ALA 81 CO 0.08 -0.62 0.04 0.35 0.00 0.00 0.00 179.25 179.10 1iq3 h PHE 82 N -0.21 0.07 -1.26 0.00 3.57 -1.37 -2.07 116.94 115.66 1iq3 h PHE 82 Ca 0.08 0.01 0.41 0.00 3.53 0.00 0.00 57.97 61.99 1iq3 h PHE 82 Cb 0.32 -0.02 -0.12 0.00 2.79 0.00 0.00 35.95 38.92 1iq3 h PHE 82 CO -0.24 0.04 0.81 0.45 -2.23 0.00 0.00 178.31 177.14 1iq3 h HIS 83 N 0.10 0.55 0.08 0.41 3.86 -1.39 0.17 115.15 118.93 1iq3 h HIS 83 Ca 0.05 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1iq3 h HIS 83 Cb 0.02 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1iq3 h HIS 83 CO -0.10 -0.17 -0.04 -0.07 0.86 0.00 0.00 177.93 178.42 1iq3 h LEU 84 N 0.14 -0.09 -0.87 2.43 4.07 -1.17 -2.48 115.31 117.34 1iq3 h LEU 84 Ca 0.78 -0.43 0.20 0.00 0.08 0.00 0.00 57.88 58.52 1iq3 h LEU 84 Cb 2.38 0.02 -0.12 0.00 1.08 0.00 0.00 40.66 44.03 1iq3 h LEU 84 CO -0.41 0.40 0.39 0.40 -1.08 0.00 0.00 178.44 178.15 1iq3 h ILE 85 N -0.60 0.53 -0.13 1.22 5.03 -0.59 0.37 117.51 123.34 1iq3 h ILE 85 Ca -0.01 -0.15 -0.10 0.00 -0.12 0.00 0.00 64.86 64.48 1iq3 h ILE 85 Cb 0.51 0.06 -0.01 0.00 -3.03 0.00 0.00 36.82 34.34 1iq3 h ILE 85 CO 0.02 0.08 -0.35 0.58 -0.68 0.00 0.00 178.15 177.79 1iq3 h VAL 86 N 0.44 1.29 -0.27 1.67 2.07 -1.39 -2.77 116.25 117.29 1iq3 h VAL 86 Ca 0.53 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1iq3 h VAL 86 Cb 0.95 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1iq3 h VAL 86 CO -0.49 0.42 0.14 0.00 0.02 0.00 0.00 177.57 177.66 1iq3 h ALA 87 N 1.41 1.75 -0.88 1.67 0.00 0.21 -2.76 119.26 120.66 1iq3 h ALA 87 Ca 0.03 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.07 1iq3 h ALA 87 Cb 0.74 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.25 1iq3 h ALA 87 CO 0.06 0.21 -0.19 0.00 0.00 0.00 0.00 179.25 179.33 1iq3 h ARG 88 N 0.37 0.01 0.07 0.00 2.47 -1.17 -2.86 114.38 113.26 1iq3 h ARG 88 Ca 0.10 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1iq3 h ARG 88 Cb 0.02 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.34 1iq3 h ARG 88 CO -0.02 0.00 -0.03 0.87 0.56 0.00 0.00 179.97 181.36 1iq3 h LYS 89 N 0.01 -0.09 0.00 0.04 6.56 -1.69 -3.47 116.57 117.93 1iq3 h LYS 89 Ca 0.43 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.99 1iq3 h LYS 89 Cb 0.69 0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 32.33 1iq3 h LYS 89 CO -0.89 -0.06 -0.07 0.09 -2.06 0.00 0.00 179.45 176.46 1iq3 n ASN 90 N -2.68 -0.32 0.15 0.86 4.13 -1.08 -4.98 115.26 111.33 1iq3 n ASN 90 Ca -0.01 -0.93 0.02 0.00 1.68 0.00 0.00 54.58 55.34 1iq3 n ASN 90 Cb 0.04 0.13 0.14 0.00 -1.54 0.00 0.00 39.78 38.55 1iq3 n ASN 90 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1iq3 h GLY 91 N 0.13 0.00 0.00 7.41 0.00 -1.58 -3.47 103.07 105.56 1iq3 h GLY 91 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1iq3 h GLY 91 CO -0.06 0.00 0.00 1.58 0.00 0.00 0.00 176.54 178.06 1iq3 n TYR 92 N -3.42 0.00 0.00 5.60 0.18 -1.26 -4.88 117.16 113.37 1iq3 n TYR 92 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1iq3 n TYR 92 Cb 0.66 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.62 1iq3 n TYR 92 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 1iq3 n PRO 93 N -0.19 1.59 -3.27 -3.48 -0.02 -1.26 -4.76 135.00 123.62 1iq3 n PRO 93 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.44 1iq3 n PRO 93 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 1iq3 n PRO 93 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1iq3 s LEU 94 N 0.00 -0.95 0.04 2.45 0.05 -1.26 -5.03 118.68 113.98 1iq3 s LEU 94 Ca 0.00 0.47 -0.23 0.00 0.05 0.00 0.00 54.13 54.42 1iq3 s LEU 94 Cb 0.00 1.54 -0.15 0.00 -2.05 0.00 0.00 46.19 45.54 1iq3 s LEU 94 CO 0.00 -0.29 1.48 -0.65 -0.55 0.00 0.00 176.35 176.34 1iq3 h PRO 95 N 8.11 0.14 0.00 1.48 0.11 -1.96 -3.47 132.00 136.40 1iq3 h PRO 95 Ca -0.20 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.75 1iq3 h PRO 95 Cb 1.16 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1iq3 h PRO 95 CO 0.27 0.39 0.06 -0.85 -0.21 0.00 0.00 178.00 177.66 1iq3 n GLU 96 N -4.85 0.71 0.00 1.05 0.28 -1.26 -5.16 120.64 111.41 1iq3 n GLU 96 Ca -0.06 -1.87 0.00 0.00 -0.16 0.00 0.00 57.16 55.06 1iq3 n GLU 96 Cb 0.19 2.06 0.00 0.00 1.43 0.00 0.00 31.44 35.12 1iq3 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1iq3 n GLY 97 N -0.42 1.85 3.40 -1.84 0.00 -1.26 -5.06 105.19 101.85 1iq3 n GLY 97 Ca -0.03 -0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 1iq3 n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1iq3 n LEU 98 N 0.00 -1.16 -0.12 0.99 4.32 -1.26 -4.82 117.00 114.95 1iq3 n LEU 98 Ca 0.00 0.97 -0.05 0.00 -0.02 0.00 0.00 56.01 56.91 1iq3 n LEU 98 Cb 0.00 -1.01 0.03 0.00 -1.62 0.00 0.00 43.42 40.83 1iq3 n LEU 98 CO 0.00 -3.22 0.90 -0.65 -1.22 0.00 0.00 177.39 173.20 1iq3 h PRO 99 N 0.81 0.19 0.00 3.23 0.11 -1.99 -2.64 132.00 131.70 1iq3 h PRO 99 Ca -0.35 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.49 1iq3 h PRO 99 Cb 1.42 -0.04 0.02 0.00 0.11 0.00 0.00 31.00 32.51 1iq3 h PRO 99 CO 0.52 0.13 -1.00 -1.00 -0.21 0.00 0.00 178.00 176.44 1iq3 h PRO 100 N 0.20 0.67 -5.05 1.05 0.13 -2.04 -3.48 132.00 123.48 1iq3 h PRO 100 Ca 0.20 -0.73 -0.30 0.00 -0.87 0.00 0.00 66.00 64.30 1iq3 h PRO 100 Cb 0.24 0.21 0.13 0.00 0.13 0.00 0.00 31.00 31.71 1iq3 h PRO 100 CO -0.27 1.31 -0.61 2.41 -0.23 0.00 0.00 178.00 180.61 1iq3 n THR 101 N -3.90 -3.90 0.00 1.56 -1.04 -1.00 -4.60 114.28 101.40 1iq3 n THR 101 Ca -0.11 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1iq3 n THR 101 Cb 0.86 -4.15 0.00 0.00 -1.82 0.00 0.00 70.33 65.22 1iq3 n THR 101 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1iq3 n LEU 102 N -3.91 0.00 -1.18 -4.42 4.77 -1.26 -5.07 117.00 105.93 1iq3 n LEU 102 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1iq3 n LEU 102 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1iq3 n LEU 102 CO 0.52 0.00 -0.30 1.67 -1.33 0.00 0.00 177.39 177.95 1iq3 n GLN 103 N 0.00 -3.31 0.02 3.23 7.27 -1.26 -4.70 117.38 118.62 1iq3 n GLN 103 Ca 0.00 2.39 0.09 0.00 0.07 0.00 0.00 57.00 59.55 1iq3 n GLN 103 Cb 0.00 -2.63 0.39 0.00 2.41 0.00 0.00 30.24 30.41 1iq3 n GLN 103 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1iq3 n PRO 104 N 0.15 0.03 -0.36 3.69 -0.04 -1.26 -3.32 135.00 133.88 1iq3 n PRO 104 Ca 0.00 0.22 0.37 0.00 -0.04 0.00 0.00 63.50 64.05 1iq3 n PRO 104 Cb 0.00 -1.55 0.69 0.00 -0.04 0.00 0.00 33.50 32.60 1iq3 n PRO 104 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1iq3 h GLU 105 N 0.00 0.00 0.00 0.54 4.57 -1.91 -3.37 114.58 114.41 1iq3 h GLU 105 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1iq3 h GLU 105 Cb 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1iq3 h GLU 105 CO 0.00 0.00 0.00 0.34 -1.18 0.00 0.00 179.01 178.17 1iq3 n PHE 106 N -3.77 0.00 -0.06 0.92 -0.00 -1.21 -4.99 117.46 108.35 1iq3 n PHE 106 Ca 0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.68 1iq3 n PHE 106 Cb 1.50 0.00 -0.09 0.00 -0.00 0.00 0.00 39.48 40.88 1iq3 n PHE 106 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 1iq3 n ILE 107 N 0.00 0.80 -1.67 -2.13 5.41 -1.26 -4.98 119.36 115.54 1iq3 n ILE 107 Ca 0.00 -0.50 -0.46 0.00 1.00 0.00 0.00 62.75 62.80 1iq3 n ILE 107 Cb 0.00 -0.69 -0.03 0.00 -0.71 0.00 0.00 39.64 38.20 1iq3 n ILE 107 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1iq3 n VAL 108 N -2.44 0.58 -0.14 1.39 0.31 -1.26 -4.90 118.33 111.86 1iq3 n VAL 108 Ca -0.19 -0.14 -0.27 0.00 -0.01 0.00 0.00 64.34 63.73 1iq3 n VAL 108 Cb 0.88 -1.46 -0.11 0.00 -0.91 0.00 0.00 33.84 32.25 1iq3 n VAL 108 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1iq3 n THR 109 N 2.45 1.52 -0.51 2.52 -1.04 -1.26 -4.80 114.28 113.17 1iq3 n THR 109 Ca 0.14 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1iq3 n THR 109 Cb 0.30 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 1iq3 n THR 109 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76