#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 -6.49 -0.81 1.61 2.88 -1.26 -4.98 113.62 104.57 1iq3 n SER 2 Ca 0.00 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1iq3 n SER 2 Cb 0.00 -2.95 0.00 0.00 -0.75 0.00 0.00 64.21 60.51 1iq3 n SER 2 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1iq3 n LEU 3 N 0.01 0.00 -2.68 2.46 4.77 -1.26 -5.13 117.00 115.18 1iq3 n LEU 3 Ca -0.01 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.94 1iq3 n LEU 3 Cb 0.56 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.68 1iq3 n LEU 3 CO 0.46 0.00 0.48 -1.58 -1.33 0.00 0.00 177.39 175.43 1iq3 s GLN 4 N -1.42 0.20 -0.01 3.23 0.74 -1.26 -5.03 119.66 116.11 1iq3 s GLN 4 Ca 0.00 -0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.22 1iq3 s GLN 4 Cb 0.00 -0.01 0.02 0.00 1.10 0.00 0.00 33.01 34.12 1iq3 s GLN 4 CO 0.00 -0.26 0.84 -3.47 -0.55 0.00 0.00 175.29 171.85 1iq3 n ASP 5 N 2.70 -0.83 -3.60 6.67 -0.08 -1.26 -5.14 116.55 115.02 1iq3 n ASP 5 Ca 0.11 -1.64 -0.07 0.00 -1.51 0.00 0.00 54.79 51.68 1iq3 n ASP 5 Cb 0.65 0.26 -0.04 0.00 2.34 0.00 0.00 41.12 44.32 1iq3 n ASP 5 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1iq3 s ASN 6 N -0.81 -0.25 -0.17 1.67 4.22 -1.26 -5.09 114.94 113.25 1iq3 s ASN 6 Ca 0.00 0.24 -0.09 0.00 -2.14 0.00 0.00 52.86 50.88 1iq3 s ASN 6 Cb 0.02 0.21 0.03 0.00 1.28 0.00 0.00 41.25 42.79 1iq3 s ASN 6 CO -0.01 -0.25 0.17 -1.20 -2.04 0.00 0.00 177.10 173.78 1iq3 n SER 7 N 0.57 -2.72 0.00 3.54 7.64 -1.26 -5.06 113.62 116.33 1iq3 n SER 7 Ca -0.06 1.28 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1iq3 n SER 7 Cb 0.58 -4.60 0.00 0.00 -1.01 0.00 0.00 64.21 59.18 1iq3 n SER 7 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1iq3 n SER 8 N 1.69 1.01 -3.31 6.43 3.41 -1.26 -5.14 113.62 116.44 1iq3 n SER 8 Ca -0.29 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1iq3 n SER 8 Cb 0.47 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 1iq3 n SER 8 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1iq3 s TYR 9 N 0.14 -1.40 0.00 7.33 2.02 -1.26 -5.16 117.35 119.02 1iq3 s TYR 9 Ca 0.00 1.71 0.00 0.00 -0.37 0.00 0.00 57.07 58.41 1iq3 s TYR 9 Cb 0.00 0.53 0.00 0.00 -0.40 0.00 0.00 41.96 42.09 1iq3 s TYR 9 CO 0.00 -0.79 0.00 -2.30 -1.57 0.00 0.00 175.55 170.89 1iq3 n PRO 10 N 5.42 0.04 -3.05 -1.71 -0.02 -1.26 -4.90 135.00 129.52 1iq3 n PRO 10 Ca -0.04 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.03 1iq3 n PRO 10 Cb 0.50 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.93 1iq3 n PRO 10 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1iq3 s ASP 11 N -1.99 6.68 0.00 2.55 2.15 -1.26 -4.94 116.67 119.85 1iq3 s ASP 11 Ca 0.00 0.84 -0.21 0.00 0.43 0.00 0.00 52.55 53.61 1iq3 s ASP 11 Cb 0.00 -2.37 -0.22 0.00 -0.30 0.00 0.00 42.92 40.03 1iq3 s ASP 11 CO 0.00 -0.39 1.12 -0.33 -0.17 0.00 0.00 175.17 175.40 1iq3 h GLU 12 N 7.72 0.37 0.00 4.34 4.39 -2.03 -3.09 114.58 126.28 1iq3 h GLU 12 Ca -0.27 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.07 1iq3 h GLU 12 Cb 1.12 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1iq3 h GLU 12 CO 0.80 1.03 0.00 -1.35 -1.16 0.00 0.00 179.01 178.33 1iq3 h PRO 13 N -0.15 0.00 -1.73 2.33 0.11 -1.99 -3.45 132.00 127.12 1iq3 h PRO 13 Ca -0.05 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.83 1iq3 h PRO 13 Cb 1.17 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 1iq3 h PRO 13 CO 0.09 0.00 -0.22 0.91 -0.21 0.00 0.00 178.00 178.58 1iq3 n TRP 14 N -2.93 -0.57 -3.69 0.65 5.03 -1.17 -2.76 117.44 112.00 1iq3 n TRP 14 Ca -0.02 0.00 -0.21 0.00 3.03 0.00 0.00 57.50 60.29 1iq3 n TRP 14 Cb 0.09 -2.36 0.00 0.00 -1.03 0.00 0.00 31.31 28.01 1iq3 n TRP 14 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 1iq3 n ARG 15 N -1.85 -1.49 0.00 -0.99 0.00 -1.26 -4.91 116.66 106.15 1iq3 n ARG 15 Ca -0.11 0.85 0.00 0.00 -0.00 0.00 0.00 57.85 58.59 1iq3 n ARG 15 Cb 0.39 -2.80 0.00 0.00 0.00 0.00 0.00 32.46 30.05 1iq3 n ARG 15 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1iq3 n ILE 16 N -2.55 0.00 -2.95 5.15 0.13 -1.11 -5.08 119.36 112.95 1iq3 n ILE 16 Ca -0.27 0.00 0.04 0.00 -1.10 0.00 0.00 62.75 61.41 1iq3 n ILE 16 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.47 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 -1.30 -0.20 0.00 9.51 -1.32 -1.26 -4.93 115.64 116.14 1iq3 s THR 17 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1iq3 s THR 17 Cb 0.00 -0.09 0.00 0.00 -1.51 0.00 0.00 72.50 70.90 1iq3 s THR 17 CO 0.00 0.00 0.00 -1.84 -2.21 0.00 0.00 174.62 170.57 1iq3 n GLU 18 N 4.35 -2.53 -0.00 7.08 0.28 -1.26 -4.59 120.64 123.97 1iq3 n GLU 18 Ca 0.07 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.11 1iq3 n GLU 18 Cb 0.61 -4.07 -0.05 0.00 1.43 0.00 0.00 31.44 29.35 1iq3 n GLU 18 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1iq3 n GLU 19 N -2.08 0.27 0.00 3.44 2.13 -1.26 -4.69 120.64 118.46 1iq3 n GLU 19 Ca 0.00 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.76 1iq3 n GLU 19 Cb 0.38 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 30.94 1iq3 n GLU 19 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iq3 n GLN 20 N -1.73 2.39 0.24 5.31 10.64 -1.26 -4.63 117.38 128.33 1iq3 n GLN 20 Ca -0.01 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.24 1iq3 n GLN 20 Cb 0.18 -0.80 0.58 0.00 -0.86 0.00 0.00 30.24 29.33 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 0.03 2.61 2.43 -1.92 -0.62 114.38 116.91 1iq3 h ARG 21 Ca 0.00 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 1iq3 h ARG 21 Cb 0.24 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1iq3 h ARG 21 CO 0.00 0.18 -0.84 0.93 -1.51 0.00 0.00 179.97 178.72 1iq3 h GLU 22 N 0.00 0.52 0.00 0.20 5.08 -1.84 -2.96 114.58 115.58 1iq3 h GLU 22 Ca -0.00 -0.60 -0.04 0.00 -1.00 0.00 0.00 59.36 57.72 1iq3 h GLU 22 Cb 0.36 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1iq3 h GLU 22 CO 0.02 1.22 -0.20 1.88 -1.00 0.00 0.00 179.01 180.93 1iq3 h TYR 23 N 0.07 0.00 -0.03 4.33 0.05 -1.73 -2.10 116.97 117.55 1iq3 h TYR 23 Ca -0.11 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.45 1iq3 h TYR 23 Cb 1.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.29 1iq3 h TYR 23 CO 0.13 0.20 -0.88 1.88 -1.05 0.00 0.00 178.16 178.45 1iq3 h TYR 24 N 0.00 0.64 0.09 4.88 0.05 -1.12 -3.12 116.97 118.39 1iq3 h TYR 24 Ca -0.00 -0.33 -0.25 0.00 0.05 0.00 0.00 58.73 58.20 1iq3 h TYR 24 Cb 0.71 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.37 1iq3 h TYR 24 CO 0.00 1.13 -1.16 0.28 -1.05 0.00 0.00 178.16 177.36 1iq3 h VAL 25 N 0.27 1.57 0.00 -2.88 2.07 -1.36 -2.82 116.25 113.09 1iq3 h VAL 25 Ca -0.07 -3.16 -0.03 0.00 0.82 0.00 0.00 66.70 64.27 1iq3 h VAL 25 Cb 1.50 2.90 -0.00 0.00 -1.52 0.00 0.00 31.29 34.17 1iq3 h VAL 25 CO 0.15 0.92 -0.14 -1.13 0.02 0.00 0.00 177.57 177.39 1iq3 h ASN 26 N 0.05 0.00 0.44 0.57 -0.73 -1.43 0.19 115.58 114.68 1iq3 h ASN 26 Ca -0.09 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.77 1iq3 h ASN 26 Cb 1.90 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 40.46 1iq3 h ASN 26 CO 0.18 0.14 -1.67 -0.61 -0.37 0.00 0.00 177.43 175.10 1iq3 h GLN 27 N 0.00 0.13 0.00 6.67 5.75 -1.56 -3.31 115.11 122.78 1iq3 h GLN 27 Ca -0.00 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 1iq3 h GLN 27 Cb 0.31 0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1iq3 h GLN 27 CO 0.02 0.86 -0.08 0.34 -2.65 0.00 0.00 178.83 177.32 1iq3 n PHE 28 N -3.27 0.40 -0.03 3.99 -0.00 -0.99 -3.79 117.46 113.77 1iq3 n PHE 28 Ca -0.19 0.12 -0.13 0.00 -0.00 0.00 0.00 57.45 57.25 1iq3 n PHE 28 Cb 1.04 -0.67 -0.11 0.00 -0.00 0.00 0.00 39.48 39.75 1iq3 n PHE 28 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 1iq3 h ARG 29 N 0.00 -0.02 -1.04 -4.13 2.43 -0.72 0.13 114.38 111.01 1iq3 h ARG 29 Ca 0.00 0.00 0.27 0.00 -0.81 0.00 0.00 59.98 59.44 1iq3 h ARG 29 Cb 0.61 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.06 1iq3 h ARG 29 CO 0.00 0.65 0.66 0.77 -1.51 0.00 0.00 179.97 180.54 1iq3 h SER 30 N -0.73 0.48 0.96 -3.80 0.02 -1.68 0.54 113.55 109.33 1iq3 h SER 30 Ca -0.00 0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 60.87 1iq3 h SER 30 Cb 0.68 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 1iq3 h SER 30 CO 0.00 0.08 -1.12 -0.07 -1.14 0.00 0.00 176.83 174.59 1iq3 h LEU 31 N 0.41 0.00 -7.83 5.07 3.38 -1.70 -3.43 115.31 111.21 1iq3 h LEU 31 Ca 0.61 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.98 1iq3 h LEU 31 Cb 1.50 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.88 1iq3 h LEU 31 CO -0.33 0.66 -0.82 -1.58 0.09 0.00 0.00 178.44 176.45 1iq3 s GLN 32 N -2.87 2.14 0.11 1.13 -0.44 0.19 -4.83 119.66 115.09 1iq3 s GLN 32 Ca -0.00 -0.68 -0.23 0.00 -2.50 0.00 0.00 55.36 51.94 1iq3 s GLN 32 Cb 0.08 -2.24 -0.08 0.00 -1.64 0.00 0.00 33.01 29.14 1iq3 s GLN 32 CO 0.79 -0.33 1.69 -1.00 0.50 0.00 0.00 175.29 176.94 1iq3 h PRO 33 N 8.02 -0.18 -6.37 1.67 0.13 -1.85 -3.37 132.00 130.05 1iq3 h PRO 33 Ca -0.33 0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.27 1iq3 h PRO 33 Cb 1.12 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1iq3 h PRO 33 CO 0.50 -0.12 0.78 -0.51 -0.23 0.00 0.00 178.00 178.42 1iq3 s ASP 34 N -5.04 6.91 0.12 1.44 1.01 -1.26 -4.92 116.67 114.93 1iq3 s ASP 34 Ca -0.14 2.03 -0.21 0.00 0.71 0.00 0.00 52.55 54.95 1iq3 s ASP 34 Cb 0.08 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 41.38 1iq3 s ASP 34 CO 0.67 -0.67 1.73 -0.65 0.21 0.00 0.00 175.17 176.45 1iq3 h PRO 35 N 7.66 0.04 -2.48 8.23 0.11 -1.95 -3.15 132.00 140.47 1iq3 h PRO 35 Ca -0.37 -0.00 -0.75 0.00 0.11 0.00 0.00 66.00 64.98 1iq3 h PRO 35 Cb 1.18 -0.01 -0.31 0.00 0.11 0.00 0.00 31.00 31.96 1iq3 h PRO 35 CO 0.89 0.03 0.52 0.45 -0.21 0.00 0.00 178.00 179.68 1iq3 n SER 36 N -5.12 6.21 -0.89 -2.05 2.88 -1.26 -4.90 113.62 108.49 1iq3 n SER 36 Ca -0.04 -3.57 0.00 0.00 -1.33 0.00 0.00 58.87 53.94 1iq3 n SER 36 Cb 0.08 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1iq3 n SER 36 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1iq3 n SER 37 N 0.50 0.14 -4.73 -3.46 7.64 -1.19 -4.88 113.62 107.64 1iq3 n SER 37 Ca 0.35 -0.83 -0.22 0.00 1.01 0.00 0.00 58.87 59.18 1iq3 n SER 37 Cb 0.32 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.46 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 -1.75 2.89 0.21 1.43 -0.12 -1.26 0.73 117.98 120.11 1iq3 s PHE 38 Ca 0.00 -0.18 -0.12 0.00 -0.05 0.00 0.00 56.93 56.58 1iq3 s PHE 38 Cb 0.00 -1.32 -0.07 0.00 -0.63 0.00 0.00 43.02 40.99 1iq3 s PHE 38 CO 0.00 0.55 0.58 0.42 -0.05 0.00 0.00 175.22 176.72 1iq3 s ILE 39 N -2.25 4.87 0.64 -4.49 1.01 -0.48 -4.80 121.20 115.69 1iq3 s ILE 39 Ca 0.33 0.66 0.35 0.00 0.00 0.00 0.00 60.65 61.99 1iq3 s ILE 39 Cb -0.07 -3.66 0.38 0.00 0.01 0.00 0.00 42.46 39.12 1iq3 s ILE 39 CO 0.22 0.02 2.16 0.28 0.00 0.00 0.00 174.94 177.63 1iq3 h SER 40 N 2.86 0.00 0.00 3.58 0.02 -1.88 -2.88 113.55 115.25 1iq3 h SER 40 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1iq3 h SER 40 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1iq3 h SER 40 CO 0.67 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.97 1iq3 n GLY 41 N -1.23 2.35 0.04 -3.77 0.00 -1.18 -3.69 105.19 97.71 1iq3 n GLY 41 Ca -0.01 -0.71 0.05 0.00 0.00 0.00 0.00 46.02 45.35 1iq3 n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1iq3 n SER 42 N 0.87 0.17 0.17 1.61 7.64 -1.26 -2.02 113.62 120.81 1iq3 n SER 42 Ca 0.00 0.57 -0.11 0.00 1.01 0.00 0.00 58.87 60.34 1iq3 n SER 42 Cb 0.00 -0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 62.54 1iq3 n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1iq3 h VAL 43 N 0.00 0.35 -0.03 0.44 2.07 -1.94 -3.06 116.25 114.08 1iq3 h VAL 43 Ca 0.00 -0.69 -0.19 0.00 0.82 0.00 0.00 66.70 66.64 1iq3 h VAL 43 Cb 0.11 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1iq3 h VAL 43 CO 0.00 0.08 -0.80 0.00 0.02 0.00 0.00 177.57 176.87 1iq3 h ALA 44 N -0.77 0.57 0.00 1.67 0.00 -1.87 -2.91 119.26 115.95 1iq3 h ALA 44 Ca -0.05 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1iq3 h ALA 44 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1iq3 h ALA 44 CO 0.08 0.82 0.04 0.87 0.00 0.00 0.00 179.25 181.06 1iq3 h LYS 45 N 0.19 0.00 0.68 0.00 1.57 -1.50 -1.13 116.57 116.38 1iq3 h LYS 45 Ca -0.04 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1iq3 h LYS 45 Cb 1.39 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.71 1iq3 h LYS 45 CO 0.13 0.00 -0.33 -0.97 -0.57 0.00 0.00 179.45 177.71 1iq3 h ASN 46 N 0.00 -0.77 1.26 0.86 -1.24 -1.40 -3.25 115.58 111.04 1iq3 h ASN 46 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1iq3 h ASN 46 Cb 0.07 0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1iq3 h ASN 46 CO 0.00 -0.43 -0.53 2.19 -1.29 0.00 0.00 177.43 177.37 1iq3 h PHE 47 N -1.12 0.00 0.00 0.67 -5.15 -1.67 -3.30 116.94 106.37 1iq3 h PHE 47 Ca -0.09 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.68 1iq3 h PHE 47 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.90 1iq3 h PHE 47 CO -0.00 0.00 0.36 0.74 -2.00 0.00 0.00 178.31 177.41 1iq3 h PHE 48 N 0.00 0.00 -1.07 6.09 -1.00 -1.24 -3.42 116.94 116.29 1iq3 h PHE 48 Ca 0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1iq3 h PHE 48 Cb 0.90 0.00 0.04 0.00 3.61 0.00 0.00 35.95 40.50 1iq3 h PHE 48 CO 0.00 0.00 -0.03 -2.37 -1.61 0.00 0.00 178.31 174.30 1iq3 n THR 49 N -2.70 0.00 0.00 -1.55 5.66 -1.25 -4.28 114.28 110.16 1iq3 n THR 49 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1iq3 n THR 49 Cb 0.40 -0.19 0.00 0.00 -1.55 0.00 0.00 70.33 68.99 1iq3 n THR 49 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1iq3 n LYS 50 N -1.33 0.00 0.00 1.09 2.85 -1.26 -4.63 118.16 114.87 1iq3 n LYS 50 Ca 0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1iq3 n LYS 50 Cb 0.12 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.50 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 2.28 0.00 0.11 -5.58 2.88 -1.26 -1.74 113.62 110.30 1iq3 n SER 51 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 1iq3 n SER 51 Cb 0.00 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 63.87 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 0.00 0.10 0.00 -1.46 -0.00 -1.26 -4.92 118.16 110.62 1iq3 n LYS 52 Ca 0.00 0.55 0.00 0.00 -0.00 0.00 0.00 58.31 58.86 1iq3 n LYS 52 Cb 0.00 -1.80 0.00 0.00 -0.00 0.00 0.00 35.03 33.23 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 -2.02 0.00 -3.45 -5.58 4.32 -0.71 -4.89 117.00 104.67 1iq3 n LEU 53 Ca -0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.66 1iq3 n LEU 53 Cb 0.06 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 41.89 1iq3 n LEU 53 CO 0.09 -0.36 -0.31 -1.20 -1.22 0.00 0.00 177.39 174.38 1iq3 n SER 54 N -2.69 -5.69 -1.72 -1.43 7.64 -1.26 -4.54 113.62 103.92 1iq3 n SER 54 Ca 0.00 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1iq3 n SER 54 Cb 0.00 -1.65 0.00 0.00 -1.01 0.00 0.00 64.21 61.55 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 0.07 -5.26 -1.77 0.44 2.08 -1.26 -4.57 119.36 109.09 1iq3 n ILE 55 Ca -0.07 2.44 -0.39 0.00 0.56 0.00 0.00 62.75 65.29 1iq3 n ILE 55 Cb 0.65 -3.43 -0.03 0.00 -0.75 0.00 0.00 39.64 36.08 1iq3 n ILE 55 CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 1iq3 s PRO 56 N -3.91 2.58 -0.19 0.38 0.02 -1.26 -4.79 135.00 127.83 1iq3 s PRO 56 Ca 0.00 1.27 0.14 0.00 0.02 0.00 0.00 61.00 62.43 1iq3 s PRO 56 Cb 0.00 -4.44 0.40 0.00 0.02 0.00 0.00 34.50 30.48 1iq3 s PRO 56 CO 0.00 -2.74 1.26 0.39 -0.33 0.00 0.00 177.00 175.58 1iq3 n GLU 57 N 8.94 1.66 0.00 5.54 -0.58 -1.26 -4.67 120.64 130.27 1iq3 n GLU 57 Ca 0.29 -2.99 0.10 0.00 -0.42 0.00 0.00 57.16 54.13 1iq3 n GLU 57 Cb 0.51 -1.64 0.59 0.00 -0.57 0.00 0.00 31.44 30.34 1iq3 n GLU 57 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1iq3 n LEU 58 N -1.17 0.00 -0.07 -4.62 7.99 -1.26 -3.34 117.00 114.53 1iq3 n LEU 58 Ca 0.21 0.00 0.01 0.00 -0.01 0.00 0.00 56.01 56.22 1iq3 n LEU 58 Cb 0.75 0.00 0.32 0.00 -0.11 0.00 0.00 43.42 44.38 1iq3 n LEU 58 CO 0.04 0.00 1.11 0.28 -1.51 0.00 0.00 177.39 177.31 1iq3 h SER 59 N 0.00 0.61 0.60 -1.43 0.02 -1.99 -1.46 113.55 109.91 1iq3 h SER 59 Ca 0.00 -0.05 -0.26 0.00 -0.84 0.00 0.00 61.79 60.64 1iq3 h SER 59 Cb 0.00 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 1iq3 h SER 59 CO 0.00 0.51 -1.56 0.10 -1.14 0.00 0.00 176.83 174.75 1iq3 h TYR 60 N 0.69 0.00 -0.32 3.45 -0.00 -1.97 -2.31 116.97 116.51 1iq3 h TYR 60 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.82 1iq3 h TYR 60 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.77 1iq3 h TYR 60 CO 0.00 0.92 -0.18 0.82 -0.00 0.00 0.00 178.16 179.72 1iq3 h ILE 61 N 0.00 1.26 0.12 -0.90 1.08 -1.64 -2.87 117.51 114.56 1iq3 h ILE 61 Ca -0.23 -1.19 -0.35 0.00 -0.39 0.00 0.00 64.86 62.71 1iq3 h ILE 61 Cb 1.90 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 36.85 1iq3 h ILE 61 CO 0.08 0.39 -1.86 -0.25 -0.69 0.00 0.00 178.15 175.81 1iq3 h TRP 62 N 0.52 0.48 -0.55 1.37 2.91 -1.40 -2.92 115.95 116.36 1iq3 h TRP 62 Ca 0.08 -0.35 0.16 0.00 1.13 0.00 0.00 58.89 59.91 1iq3 h TRP 62 Cb 0.61 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.22 1iq3 h TRP 62 CO 0.02 1.63 0.46 0.93 -1.03 0.00 0.00 178.44 180.46 1iq3 h GLU 63 N 0.07 0.00 0.04 2.65 4.39 -1.39 -0.41 114.58 119.93 1iq3 h GLU 63 Ca -0.37 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 58.99 1iq3 h GLU 63 Cb 2.05 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.65 1iq3 h GLU 63 CO 0.12 0.00 -1.99 1.28 -1.16 0.00 0.00 179.01 177.26 1iq3 n LEU 64 N -4.05 1.53 -0.11 1.33 4.77 -1.09 -4.26 117.00 115.12 1iq3 n LEU 64 Ca 0.10 0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 56.25 1iq3 n LEU 64 Cb 0.68 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1iq3 n LEU 64 CO 0.33 0.61 0.95 -1.28 -1.33 0.00 0.00 177.39 176.67 1iq3 h SER 65 N 0.02 0.17 -3.29 -1.43 0.87 -0.89 -3.42 113.55 105.58 1iq3 h SER 65 Ca -0.40 0.04 -0.51 0.00 -1.23 0.00 0.00 61.79 59.68 1iq3 h SER 65 Cb 2.04 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 64.01 1iq3 h SER 65 CO 0.06 0.13 -0.10 -0.62 -0.53 0.00 0.00 176.83 175.77 1iq3 s ASP 66 N -5.38 6.47 -0.10 6.23 -1.08 -0.80 -4.85 116.67 117.16 1iq3 s ASP 66 Ca -0.13 0.79 0.24 0.00 -0.52 0.00 0.00 52.55 52.93 1iq3 s ASP 66 Cb 0.12 -2.18 0.44 0.00 -1.46 0.00 0.00 42.92 39.85 1iq3 s ASP 66 CO 0.71 -0.22 1.15 0.00 0.52 0.00 0.00 175.17 177.33 1iq3 n ALA 67 N -0.95 2.50 -1.71 3.66 0.00 -1.26 -4.83 120.51 117.92 1iq3 n ALA 67 Ca -0.01 -2.39 -0.01 0.00 0.00 0.00 0.00 53.44 51.03 1iq3 n ALA 67 Cb 0.54 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 19.20 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 0.06 -0.19 -2.72 0.00 5.75 -1.26 -4.97 116.55 113.22 1iq3 n ASP 68 Ca 0.04 -0.85 -0.10 0.00 -0.01 0.00 0.00 54.79 53.87 1iq3 n ASP 68 Cb 1.01 0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 41.14 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 -1.46 0.56 0.00 0.00 5.75 -1.26 -4.92 116.55 115.22 1iq3 n ASP 70 Ca 0.03 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.15 1iq3 n ASP 70 Cb 0.41 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 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 1.38 2.07 3.95 6.12 0.00 -1.26 -4.97 105.19 112.48 1iq3 n GLY 71 Ca 0.05 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.61 3.76 -0.10 4.61 0.00 -1.24 -3.08 121.76 125.10 1iq3 s ALA 72 Ca 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 1iq3 s ALA 72 Cb 0.00 -2.01 0.05 0.00 0.00 0.00 0.00 23.12 21.16 1iq3 s ALA 72 CO 0.00 0.03 0.20 -0.51 0.00 0.00 0.00 175.76 175.48 1iq3 s LEU 73 N -4.24 0.06 1.02 0.00 1.02 -1.09 -4.88 118.68 110.56 1iq3 s LEU 73 Ca 0.39 0.43 -0.15 0.00 0.02 0.00 0.00 54.13 54.82 1iq3 s LEU 73 Cb -0.09 0.48 0.05 0.00 0.02 0.00 0.00 46.19 46.65 1iq3 s LEU 73 CO 0.34 -0.22 0.19 0.35 0.02 0.00 0.00 176.35 177.04 1iq3 n THR 74 N 4.99 0.00 -0.26 5.49 -2.24 -1.26 -1.39 114.28 119.61 1iq3 n THR 74 Ca -0.12 -0.24 -0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1iq3 n THR 74 Cb 0.51 -0.58 0.12 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.72 0.65 -2.00 3.22 6.46 -0.03 0.43 115.31 122.32 1iq3 h LEU 75 Ca -0.47 0.03 0.12 0.00 -0.12 0.00 0.00 57.88 57.44 1iq3 h LEU 75 Cb 1.31 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 41.12 1iq3 h LEU 75 CO 0.35 0.41 0.31 -0.65 -0.62 0.00 0.00 178.44 178.24 1iq3 h PRO 76 N 0.78 0.00 -0.00 5.25 0.11 -1.88 0.11 132.00 136.37 1iq3 h PRO 76 Ca 0.33 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.28 1iq3 h PRO 76 Cb 0.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1iq3 h PRO 76 CO -0.19 0.00 -0.75 0.93 -0.21 0.00 0.00 178.00 177.78 1iq3 h GLU 77 N 0.00 0.03 0.04 1.05 5.08 -1.21 -3.18 114.58 116.39 1iq3 h GLU 77 Ca 0.20 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.31 1iq3 h GLU 77 Cb 0.81 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1iq3 h GLU 77 CO -0.00 0.77 -1.00 0.35 -1.00 0.00 0.00 179.01 178.13 1iq3 h PHE 78 N 0.02 0.30 0.00 4.33 3.04 -0.52 -3.05 116.94 121.05 1iq3 h PHE 78 Ca -0.01 -0.19 -0.01 0.00 3.98 0.00 0.00 57.97 61.74 1iq3 h PHE 78 Cb 1.33 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.82 1iq3 h PHE 78 CO 0.00 1.06 -0.06 0.00 -2.02 0.00 0.00 178.31 177.30 1iq3 h ALA 80 N 1.94 0.06 -0.71 0.00 0.00 -1.58 -3.30 119.26 115.67 1iq3 h ALA 80 Ca -0.00 -0.54 0.11 0.00 0.00 0.00 0.00 54.91 54.48 1iq3 h ALA 80 Cb 0.16 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1iq3 h ALA 80 CO 0.01 0.31 0.47 0.00 0.00 0.00 0.00 179.25 180.04 1iq3 h ALA 81 N -0.66 1.92 0.52 0.00 0.00 -1.48 -2.77 119.26 116.79 1iq3 h ALA 81 Ca -0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1iq3 h ALA 81 Cb 0.67 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1iq3 h ALA 81 CO -0.05 -0.08 -0.25 0.35 0.00 0.00 0.00 179.25 179.21 1iq3 h PHE 82 N 0.55 -0.65 -0.80 0.00 3.57 -1.46 -2.43 116.94 115.72 1iq3 h PHE 82 Ca 0.33 -0.02 0.23 0.00 3.53 0.00 0.00 57.97 62.05 1iq3 h PHE 82 Cb 0.56 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 1iq3 h PHE 82 CO -0.00 -0.41 0.78 1.12 -2.23 0.00 0.00 178.31 177.57 1iq3 h HIS 83 N -0.75 0.00 -0.26 0.41 2.07 -1.60 0.27 115.15 115.28 1iq3 h HIS 83 Ca -0.07 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.41 1iq3 h HIS 83 Cb 0.54 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.51 1iq3 h HIS 83 CO 0.09 0.00 0.01 -0.07 -3.07 0.00 0.00 177.93 174.90 1iq3 h LEU 84 N 0.00 0.45 -0.67 6.12 3.38 -1.16 -2.99 115.31 120.44 1iq3 h LEU 84 Ca 0.38 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1iq3 h LEU 84 Cb 1.93 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 42.51 1iq3 h LEU 84 CO -0.00 0.63 0.40 0.40 0.09 0.00 0.00 178.44 179.96 1iq3 h ILE 85 N 0.25 1.05 -0.32 1.22 5.03 -0.19 -0.30 117.51 124.25 1iq3 h ILE 85 Ca 0.08 -0.27 0.09 0.00 -0.12 0.00 0.00 64.86 64.64 1iq3 h ILE 85 Cb 0.39 0.21 -0.01 0.00 -3.03 0.00 0.00 36.82 34.38 1iq3 h ILE 85 CO 0.01 0.14 0.33 0.58 -0.68 0.00 0.00 178.15 178.53 1iq3 h VAL 86 N 0.78 0.48 0.01 1.67 2.07 -1.38 -1.87 116.25 118.01 1iq3 h VAL 86 Ca 0.28 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.81 1iq3 h VAL 86 Cb 0.07 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1iq3 h VAL 86 CO -0.13 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.36 1iq3 h ALA 87 N 1.65 -0.13 -0.31 1.67 0.00 -0.96 0.14 119.26 121.32 1iq3 h ALA 87 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1iq3 h ALA 87 Cb 0.80 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1iq3 h ALA 87 CO -0.00 -0.60 -0.25 -0.09 0.00 0.00 0.00 179.25 178.30 1iq3 h ARG 88 N -0.19 -0.08 -0.38 0.00 1.12 -1.43 -0.00 114.38 113.42 1iq3 h ARG 88 Ca 0.04 0.01 0.05 0.00 -1.11 0.00 0.00 59.98 58.96 1iq3 h ARG 88 Cb 0.23 0.02 -0.08 0.00 -0.01 0.00 0.00 29.97 30.14 1iq3 h ARG 88 CO -0.10 -0.06 -0.53 0.87 -3.11 0.00 0.00 179.97 177.05 1iq3 h LYS 89 N -0.09 -0.37 0.00 0.20 6.56 -1.67 -3.42 116.57 117.79 1iq3 h LYS 89 Ca 0.05 0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.64 1iq3 h LYS 89 Cb 0.22 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.94 1iq3 h LYS 89 CO -0.34 -0.24 -0.05 -1.71 -2.06 0.00 0.00 179.45 175.05 1iq3 n ASN 90 N -5.21 -0.17 -2.34 0.86 4.05 -0.68 -4.99 115.26 106.77 1iq3 n ASN 90 Ca -0.03 -0.45 -0.26 0.00 0.45 0.00 0.00 54.58 54.29 1iq3 n ASN 90 Cb 0.32 0.05 -0.01 0.00 1.23 0.00 0.00 39.78 41.37 1iq3 n ASN 90 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1iq3 n GLY 91 N 0.00 4.52 2.20 8.20 0.00 0.45 -4.83 105.19 115.73 1iq3 n GLY 91 Ca -0.05 -1.75 -0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 0.43 -2.31 -1.61 1.61 4.01 -1.26 -4.11 117.16 113.93 1iq3 n TYR 92 Ca 0.45 1.02 -0.44 0.00 -0.16 0.00 0.00 57.90 58.77 1iq3 n TYR 92 Cb 0.54 -2.95 -0.01 0.00 -0.31 0.00 0.00 39.34 36.60 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 0.40 1.47 -3.83 -0.72 -0.02 -1.26 -4.77 135.00 126.27 1iq3 n PRO 93 Ca 0.00 0.52 -0.26 0.00 -2.02 0.00 0.00 63.50 61.74 1iq3 n PRO 93 Cb 0.00 -1.92 -0.17 0.00 -0.02 0.00 0.00 33.50 31.39 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 0.23 1.10 0.42 2.45 0.20 -1.26 -5.00 118.68 116.82 1iq3 s LEU 94 Ca 0.59 -0.40 0.15 0.00 0.69 0.00 0.00 54.13 55.16 1iq3 s LEU 94 Cb -0.68 -0.69 1.03 0.00 -0.43 0.00 0.00 46.19 45.41 1iq3 s LEU 94 CO 0.60 -0.19 1.92 -0.65 -0.29 0.00 0.00 176.35 177.74 1iq3 h PRO 95 N 8.22 0.42 0.00 0.98 0.11 -2.05 -3.45 132.00 136.24 1iq3 h PRO 95 Ca -0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1iq3 h PRO 95 Cb 1.12 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1iq3 h PRO 95 CO 0.35 0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 177.57 1iq3 n GLU 96 N -4.48 0.00 -3.71 1.05 0.00 -1.26 -5.13 120.64 107.11 1iq3 n GLU 96 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.92 1iq3 n GLU 96 Cb 0.51 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.83 1iq3 n GLU 96 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1iq3 s GLY 97 N -0.25 1.85 0.00 -1.84 0.00 -1.26 -5.05 107.32 100.77 1iq3 s GLY 97 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1iq3 s GLY 97 CO 0.00 0.75 0.00 1.47 0.00 0.00 0.00 173.10 175.32 1iq3 n LEU 98 N 4.89 0.00 0.00 0.66 -0.00 -1.26 -5.16 117.00 116.13 1iq3 n LEU 98 Ca -0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.87 1iq3 n LEU 98 Cb 0.46 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.89 1iq3 n LEU 98 CO 0.33 0.00 0.01 -2.65 -0.00 0.00 0.00 177.39 175.08 1iq3 n PRO 99 N 0.00 -1.09 -1.91 1.47 -0.02 -1.26 -4.65 135.00 127.54 1iq3 n PRO 99 Ca 0.00 -0.06 -0.29 0.00 -2.02 0.00 0.00 63.50 61.13 1iq3 n PRO 99 Cb 0.00 -0.09 -0.07 0.00 -0.02 0.00 0.00 33.50 33.33 1iq3 n PRO 99 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1iq3 n PRO 100 N -1.59 1.48 -3.68 0.52 -0.02 -1.26 -4.34 135.00 126.10 1iq3 n PRO 100 Ca 0.01 -2.34 -0.29 0.00 -2.02 0.00 0.00 63.50 58.86 1iq3 n PRO 100 Cb 0.02 -3.64 -0.06 0.00 -0.02 0.00 0.00 33.50 29.80 1iq3 n PRO 100 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1iq3 n THR 101 N 7.68 -0.15 0.00 3.45 -2.24 -1.26 -4.47 114.28 117.28 1iq3 n THR 101 Ca 0.45 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.16 1iq3 n THR 101 Cb 0.46 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1iq3 n THR 101 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1iq3 n LEU 102 N -3.13 0.00 0.00 3.22 7.94 -1.26 -5.18 117.00 118.59 1iq3 n LEU 102 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1iq3 n LEU 102 Cb 0.36 0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.45 1iq3 n LEU 102 CO 0.67 -0.20 0.00 1.67 -1.11 0.00 0.00 177.39 178.42 1iq3 n GLN 103 N -1.59 0.00 -1.96 1.96 7.27 -1.26 -4.98 117.38 116.81 1iq3 n GLN 103 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.82 1iq3 n GLN 103 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 1iq3 n GLN 103 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1iq3 s PRO 104 N -2.00 2.23 -1.26 3.69 0.02 -1.26 -3.82 135.00 132.60 1iq3 s PRO 104 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 61.00 60.19 1iq3 s PRO 104 Cb 0.00 -5.15 0.00 0.00 0.02 0.00 0.00 34.50 29.37 1iq3 s PRO 104 CO 0.00 -4.18 0.00 -1.91 -0.33 0.00 0.00 177.00 170.58 1iq3 n GLU 105 N 8.38 -1.44 -3.97 5.54 2.13 -1.26 -2.57 120.64 127.46 1iq3 n GLU 105 Ca 0.44 0.70 -0.27 0.00 0.66 0.00 0.00 57.16 58.69 1iq3 n GLU 105 Cb 0.46 -5.00 -0.06 0.00 0.27 0.00 0.00 31.44 27.11 1iq3 n GLU 105 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1iq3 n PHE 106 N -2.09 -1.02 0.00 4.31 1.16 -1.25 -4.81 117.46 113.76 1iq3 n PHE 106 Ca -0.13 0.41 -0.19 0.00 -1.87 0.00 0.00 57.45 55.68 1iq3 n PHE 106 Cb 0.44 -2.24 -0.14 0.00 -1.61 0.00 0.00 39.48 35.93 1iq3 n PHE 106 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 1iq3 h ILE 107 N -1.28 0.69 -2.04 1.97 2.04 -1.87 -3.46 117.51 113.55 1iq3 h ILE 107 Ca -0.54 -2.42 -0.57 0.00 1.00 0.00 0.00 64.86 62.33 1iq3 h ILE 107 Cb 1.12 2.51 -0.13 0.00 -0.74 0.00 0.00 36.82 39.58 1iq3 h ILE 107 CO 0.54 0.83 -0.54 -0.69 0.00 0.00 0.00 178.15 178.29 1iq3 s VAL 108 N -2.57 0.99 -2.08 1.67 1.01 -1.26 -4.74 120.40 113.42 1iq3 s VAL 108 Ca -0.19 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.79 1iq3 s VAL 108 Cb 0.07 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.99 1iq3 s VAL 108 CO 0.79 0.00 0.00 0.41 0.00 0.00 0.00 175.10 176.30 1iq3 n THR 109 N -0.95 -0.32 0.00 3.92 -1.04 -1.26 -5.01 114.28 109.62 1iq3 n THR 109 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1iq3 n THR 109 Cb 0.66 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 1iq3 n THR 109 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90