#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 -0.01 -0.54 1.61 0.15 -1.26 -4.78 113.70 108.86 1iq3 s SER 2 Ca 0.00 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.44 1iq3 s SER 2 Cb 0.00 0.18 0.49 0.00 -1.71 0.00 0.00 66.02 64.99 1iq3 s SER 2 CO 0.00 -0.36 1.84 -0.11 1.20 0.00 0.00 173.24 175.81 1iq3 n LEU 3 N -0.77 6.83 -4.86 3.45 7.94 -1.26 -4.98 117.00 123.36 1iq3 n LEU 3 Ca -0.01 -4.21 -0.37 0.00 -1.11 0.00 0.00 56.01 50.31 1iq3 n LEU 3 Cb 0.60 -0.83 -0.06 0.00 0.53 0.00 0.00 43.42 43.66 1iq3 n LEU 3 CO 0.15 1.48 -0.01 -1.58 -1.11 0.00 0.00 177.39 176.32 1iq3 s GLN 4 N -3.66 3.71 0.19 1.96 2.00 -1.26 -5.02 119.66 117.58 1iq3 s GLN 4 Ca 0.60 0.17 -0.31 0.00 -2.00 0.00 0.00 55.36 53.82 1iq3 s GLN 4 Cb 0.48 -3.20 -0.16 0.00 0.80 0.00 0.00 33.01 30.93 1iq3 s GLN 4 CO 0.02 0.73 0.90 -0.25 -0.50 0.00 0.00 175.29 176.19 1iq3 n ASP 5 N 1.85 0.33 -4.17 6.67 8.00 -1.26 -4.97 116.55 123.00 1iq3 n ASP 5 Ca -0.16 1.15 -0.12 0.00 0.71 0.00 0.00 54.79 56.37 1iq3 n ASP 5 Cb 0.53 -1.12 -0.10 0.00 -0.02 0.00 0.00 41.12 40.42 1iq3 n ASP 5 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1iq3 s ASN 6 N -0.47 0.17 -0.66 -2.24 2.20 -1.26 -4.97 114.94 107.70 1iq3 s ASN 6 Ca 0.68 -1.37 -0.04 0.00 -0.94 0.00 0.00 52.86 51.19 1iq3 s ASN 6 Cb -0.88 0.39 0.01 0.00 -2.00 0.00 0.00 41.25 38.77 1iq3 s ASN 6 CO 0.56 -0.86 0.67 -0.24 -2.94 0.00 0.00 177.10 174.29 1iq3 n SER 7 N -0.30 -7.79 0.00 3.54 2.88 -1.26 -4.96 113.62 105.73 1iq3 n SER 7 Ca 0.02 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1iq3 n SER 7 Cb 0.66 -5.26 0.00 0.00 -0.75 0.00 0.00 64.21 58.86 1iq3 n SER 7 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1iq3 n SER 8 N -1.42 0.00 -3.64 -3.46 7.64 -1.26 -5.16 113.62 106.33 1iq3 n SER 8 Ca 0.02 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.81 1iq3 n SER 8 Cb 0.49 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.62 1iq3 n SER 8 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1iq3 s TYR 9 N 0.44 -0.96 1.33 1.43 2.02 -1.26 -5.16 117.35 115.20 1iq3 s TYR 9 Ca 0.00 2.05 -0.20 0.00 -0.37 0.00 0.00 57.07 58.55 1iq3 s TYR 9 Cb 0.00 0.49 0.32 0.00 -0.40 0.00 0.00 41.96 42.37 1iq3 s TYR 9 CO 0.00 -0.47 0.75 -2.30 -1.57 0.00 0.00 175.55 171.96 1iq3 n PRO 10 N 3.66 -3.91 -2.28 -1.71 -0.02 -1.26 -4.69 135.00 124.80 1iq3 n PRO 10 Ca -0.18 -1.15 0.00 0.00 -2.02 0.00 0.00 63.50 60.15 1iq3 n PRO 10 Cb 0.57 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1iq3 n PRO 10 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1iq3 n ASP 11 N -4.61 -7.92 0.12 2.55 9.92 -1.26 -5.01 116.55 110.34 1iq3 n ASP 11 Ca 0.10 1.70 0.00 0.00 -0.53 0.00 0.00 54.79 56.06 1iq3 n ASP 11 Cb 0.54 -4.60 0.00 0.00 -0.64 0.00 0.00 41.12 36.43 1iq3 n ASP 11 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1iq3 n GLU 12 N 1.89 0.00 -0.23 -1.24 1.02 -1.26 -4.78 120.64 116.03 1iq3 n GLU 12 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 1iq3 n GLU 12 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 31.44 31.57 1iq3 n GLU 12 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1iq3 h PRO 13 N 0.00 0.27 0.00 3.49 0.13 -1.97 -1.74 132.00 132.18 1iq3 h PRO 13 Ca 0.00 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 64.95 1iq3 h PRO 13 Cb 0.00 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.04 1iq3 h PRO 13 CO 0.00 0.18 -1.39 0.91 -0.23 0.00 0.00 178.00 177.47 1iq3 n TRP 14 N -5.13 1.00 -2.03 1.56 8.01 -1.26 -5.06 117.44 114.52 1iq3 n TRP 14 Ca 0.12 0.33 0.00 0.00 -1.31 0.00 0.00 57.50 56.64 1iq3 n TRP 14 Cb 0.39 -1.09 0.00 0.00 -2.01 0.00 0.00 31.31 28.61 1iq3 n TRP 14 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.69 174.55 1iq3 n ARG 15 N -2.88 -5.15 0.00 -0.99 0.00 -0.66 -5.08 116.66 101.90 1iq3 n ARG 15 Ca -0.09 3.70 0.00 0.00 -0.00 0.00 0.00 57.85 61.46 1iq3 n ARG 15 Cb 0.83 -4.08 0.00 0.00 0.00 0.00 0.00 32.46 29.21 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 1.76 0.00 -3.15 5.15 3.06 -1.26 -4.98 119.36 119.94 1iq3 n ILE 16 Ca 0.00 0.00 0.05 0.00 -2.50 0.00 0.00 62.75 60.30 1iq3 n ILE 16 Cb 0.00 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.17 1iq3 n ILE 16 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1iq3 s THR 17 N -1.30 -0.42 0.00 9.51 -1.32 -1.26 -4.93 115.64 115.92 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 -0.67 0.00 0.00 -1.51 0.00 0.00 72.50 70.32 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 5.30 -2.54 -0.00 7.08 0.28 -1.26 -4.59 120.64 124.91 1iq3 n GLU 18 Ca 0.02 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.03 1iq3 n GLU 18 Cb 0.55 -4.21 -0.02 0.00 1.43 0.00 0.00 31.44 29.20 1iq3 n GLU 18 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1iq3 n GLU 19 N -2.12 4.24 -0.04 3.44 1.02 -1.26 -4.61 120.64 121.30 1iq3 n GLU 19 Ca 0.00 -0.01 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1iq3 n GLU 19 Cb 0.39 -0.76 -0.07 0.00 -0.02 0.00 0.00 31.44 30.98 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 -1.23 2.35 0.16 3.49 10.64 -1.26 -4.43 117.38 127.09 1iq3 n GLN 20 Ca 0.00 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.30 1iq3 n GLN 20 Cb 0.05 -1.22 0.56 0.00 -0.86 0.00 0.00 30.24 28.76 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 0.24 2.61 2.43 -1.94 -0.22 114.38 117.50 1iq3 h ARG 21 Ca -0.24 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 1iq3 h ARG 21 Cb 1.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 1iq3 h ARG 21 CO 0.01 0.00 -0.11 0.93 -1.51 0.00 0.00 179.97 179.28 1iq3 h GLU 22 N 0.00 -0.31 0.00 0.20 5.08 -1.82 -1.56 114.58 116.17 1iq3 h GLU 22 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1iq3 h GLU 22 Cb 0.22 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1iq3 h GLU 22 CO 0.00 0.03 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.08 1iq3 h TYR 23 N -0.94 0.00 0.06 4.33 5.03 -1.78 -2.87 116.97 120.79 1iq3 h TYR 23 Ca -0.03 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.19 1iq3 h TYR 23 Cb 0.48 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.77 1iq3 h TYR 23 CO 0.05 0.00 -0.40 1.88 -1.32 0.00 0.00 178.16 178.38 1iq3 h TYR 24 N 0.00 0.21 0.00 -3.82 0.05 -1.09 -3.22 116.97 109.09 1iq3 h TYR 24 Ca 0.00 -0.16 -0.05 0.00 0.05 0.00 0.00 58.73 58.58 1iq3 h TYR 24 Cb 0.82 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 1iq3 h TYR 24 CO 0.00 1.15 -0.23 0.28 -1.05 0.00 0.00 178.16 178.32 1iq3 h VAL 25 N -0.75 0.60 0.00 -2.88 2.07 -1.37 -2.50 116.25 111.42 1iq3 h VAL 25 Ca -0.08 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1iq3 h VAL 25 Cb 1.27 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1iq3 h VAL 25 CO 0.05 0.22 0.00 -1.13 0.02 0.00 0.00 177.57 176.73 1iq3 h ASN 26 N 0.00 0.00 0.00 0.57 -0.73 -1.58 -1.34 115.58 112.50 1iq3 h ASN 26 Ca -0.00 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 1iq3 h ASN 26 Cb 0.69 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.28 1iq3 h ASN 26 CO 0.03 0.00 -0.33 -0.61 -0.37 0.00 0.00 177.43 176.15 1iq3 h GLN 27 N 0.00 0.00 -0.09 6.67 5.75 -1.46 -3.21 115.11 122.77 1iq3 h GLN 27 Ca 0.00 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1iq3 h GLN 27 Cb 0.60 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.15 1iq3 h GLN 27 CO 0.00 0.02 0.08 0.35 -2.65 0.00 0.00 178.83 176.63 1iq3 h PHE 28 N -1.00 0.00 -0.37 3.99 3.04 -1.61 -1.70 116.94 119.28 1iq3 h PHE 28 Ca -0.00 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.89 1iq3 h PHE 28 Cb 0.33 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.83 1iq3 h PHE 28 CO -0.13 0.00 0.03 -0.09 -2.02 0.00 0.00 178.31 176.10 1iq3 h ARG 29 N 0.00 0.64 -0.67 1.11 2.43 -1.38 -0.11 114.38 116.41 1iq3 h ARG 29 Ca 0.04 -0.19 0.19 0.00 -0.81 0.00 0.00 59.98 59.22 1iq3 h ARG 29 Cb 0.20 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1iq3 h ARG 29 CO -0.00 0.72 0.75 1.03 -1.51 0.00 0.00 179.97 180.96 1iq3 h SER 30 N 0.47 0.00 0.00 -3.80 0.87 -1.30 0.42 113.55 110.20 1iq3 h SER 30 Ca 0.11 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.53 1iq3 h SER 30 Cb 0.41 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1iq3 h SER 30 CO 0.01 0.00 -2.03 0.18 -0.53 0.00 0.00 176.83 174.47 1iq3 n LEU 31 N -3.52 0.00 -3.93 2.23 4.77 -0.87 -4.85 117.00 110.83 1iq3 n LEU 31 Ca 0.14 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.82 1iq3 n LEU 31 Cb 0.99 0.19 -0.15 0.00 -2.33 0.00 0.00 43.42 42.11 1iq3 n LEU 31 CO 0.26 0.19 -0.40 -1.10 -1.33 0.00 0.00 177.39 175.01 1iq3 s GLN 32 N -2.93 1.52 0.20 3.23 -1.52 0.15 -4.98 119.66 115.31 1iq3 s GLN 32 Ca -0.08 -1.09 -0.07 0.00 -1.95 0.00 0.00 55.36 52.16 1iq3 s GLN 32 Cb 0.09 -2.60 0.12 0.00 -0.22 0.00 0.00 33.01 30.40 1iq3 s GLN 32 CO 0.77 -0.67 1.65 -1.35 -0.25 0.00 0.00 175.29 175.44 1iq3 h PRO 33 N 7.93 0.99 -6.65 2.91 0.11 -1.87 -3.39 132.00 132.03 1iq3 h PRO 33 Ca -0.16 -0.33 -0.52 0.00 0.11 0.00 0.00 66.00 65.10 1iq3 h PRO 33 Cb 1.06 -0.08 0.06 0.00 0.11 0.00 0.00 31.00 32.15 1iq3 h PRO 33 CO 0.43 1.00 1.01 -3.47 -0.21 0.00 0.00 178.00 176.76 1iq3 n ASP 34 N -4.17 3.98 0.26 -2.05 -0.08 -1.26 -4.85 116.55 108.38 1iq3 n ASP 34 Ca 0.02 1.06 0.13 0.00 -1.51 0.00 0.00 54.79 54.50 1iq3 n ASP 34 Cb 0.36 -1.57 0.70 0.00 2.34 0.00 0.00 41.12 42.95 1iq3 n ASP 34 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1iq3 h PRO 35 N 6.73 0.00 -1.72 -0.67 0.13 -2.01 -3.19 132.00 131.27 1iq3 h PRO 35 Ca -0.43 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.19 1iq3 h PRO 35 Cb 1.20 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.92 1iq3 h PRO 35 CO 0.95 0.12 -0.93 0.45 -0.23 0.00 0.00 178.00 178.37 1iq3 n SER 36 N -3.52 2.94 -0.57 1.44 2.88 -1.26 -4.94 113.62 110.59 1iq3 n SER 36 Ca -0.01 -3.30 0.00 0.00 -1.33 0.00 0.00 58.87 54.23 1iq3 n SER 36 Cb 0.27 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 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 -0.13 0.77 -3.72 -3.46 7.64 -1.21 -4.88 113.62 108.62 1iq3 n SER 37 Ca 0.26 -0.29 -0.12 0.00 1.01 0.00 0.00 58.87 59.74 1iq3 n SER 37 Cb 0.63 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.71 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 1.22 -0.47 -0.13 1.43 -0.71 -1.26 -0.54 117.98 117.53 1iq3 s PHE 38 Ca 0.00 1.06 -0.19 0.00 -1.04 0.00 0.00 56.93 56.76 1iq3 s PHE 38 Cb 0.00 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 1iq3 s PHE 38 CO 0.00 -0.27 0.51 0.42 -1.34 0.00 0.00 175.22 174.54 1iq3 s ILE 39 N 0.95 5.16 -0.02 -4.49 1.01 0.11 -4.74 121.20 119.19 1iq3 s ILE 39 Ca -0.06 1.01 -0.07 0.00 0.00 0.00 0.00 60.65 61.52 1iq3 s ILE 39 Cb -0.07 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.56 1iq3 s ILE 39 CO -0.07 0.30 0.15 -0.94 0.00 0.00 0.00 174.94 174.38 1iq3 s SER 40 N 0.72 -0.04 0.01 3.58 1.04 -1.26 -1.02 113.70 116.73 1iq3 s SER 40 Ca 0.27 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1iq3 s SER 40 Cb -0.15 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1iq3 s SER 40 CO 0.11 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1iq3 n GLY 41 N 1.89 0.74 0.21 7.32 0.00 -1.18 -3.76 105.19 110.41 1iq3 n GLY 41 Ca -0.20 -1.30 0.01 0.00 0.00 0.00 0.00 46.02 44.53 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 1.93 0.53 -0.04 1.61 7.64 -1.26 -3.83 113.62 120.19 1iq3 n SER 42 Ca 0.00 -2.01 -0.14 0.00 1.01 0.00 0.00 58.87 57.73 1iq3 n SER 42 Cb 0.00 -0.13 -0.08 0.00 -1.01 0.00 0.00 64.21 62.98 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 0.35 1.39 0.04 0.44 2.07 -1.94 -3.07 116.25 115.52 1iq3 h VAL 43 Ca 0.00 -1.51 -0.36 0.00 0.82 0.00 0.00 66.70 65.65 1iq3 h VAL 43 Cb 0.19 2.10 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 1iq3 h VAL 43 CO 0.01 0.44 -2.19 0.00 0.02 0.00 0.00 177.57 175.84 1iq3 n ALA 44 N -2.46 1.28 0.22 1.67 0.00 -1.25 -4.07 120.51 115.90 1iq3 n ALA 44 Ca -0.07 -0.93 0.03 0.00 0.00 0.00 0.00 53.44 52.47 1iq3 n ALA 44 Cb 0.43 -0.42 0.13 0.00 0.00 0.00 0.00 19.45 19.59 1iq3 n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1iq3 n LYS 45 N -3.21 0.01 -0.01 0.00 5.02 -1.25 -1.09 118.16 117.62 1iq3 n LYS 45 Ca -0.35 0.38 -0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1iq3 n LYS 45 Cb 1.05 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.56 1iq3 n LYS 45 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1iq3 h ASN 46 N 0.00 0.00 0.89 4.39 4.21 -1.68 -3.39 115.58 120.00 1iq3 h ASN 46 Ca 0.00 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.38 1iq3 h ASN 46 Cb 0.10 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.29 1iq3 h ASN 46 CO 0.00 0.13 -0.60 2.19 -1.29 0.00 0.00 177.43 177.86 1iq3 h PHE 47 N -0.25 0.00 -0.89 1.19 -5.15 -1.74 -3.04 116.94 107.06 1iq3 h PHE 47 Ca 0.00 0.00 0.08 0.00 -0.20 0.00 0.00 57.97 57.85 1iq3 h PHE 47 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 35.95 36.07 1iq3 h PHE 47 CO -0.00 0.60 -0.54 0.74 -2.00 0.00 0.00 178.31 177.10 1iq3 h PHE 48 N 0.00 -1.75 0.00 6.09 -1.00 -1.31 0.57 116.94 119.55 1iq3 h PHE 48 Ca -0.01 0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1iq3 h PHE 48 Cb 1.21 0.88 0.00 0.00 3.61 0.00 0.00 35.95 41.65 1iq3 h PHE 48 CO 0.00 -0.35 -0.53 -2.37 -1.61 0.00 0.00 178.31 173.45 1iq3 n THR 49 N -5.09 0.33 0.00 -1.55 5.66 -1.25 -4.97 114.28 107.42 1iq3 n THR 49 Ca 0.02 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1iq3 n THR 49 Cb 0.24 -0.15 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 1iq3 n THR 49 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1iq3 n LYS 50 N -2.05 0.00 -2.90 1.09 4.81 0.19 -3.58 118.16 115.72 1iq3 n LYS 50 Ca 0.04 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.35 1iq3 n LYS 50 Cb 0.42 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.49 1iq3 n LYS 50 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1iq3 n SER 51 N 3.51 0.48 -4.01 3.14 3.41 -1.26 -4.82 113.62 114.07 1iq3 n SER 51 Ca 0.00 -2.92 -0.36 0.00 -0.26 0.00 0.00 58.87 55.33 1iq3 n SER 51 Cb 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 0.08 -0.45 -0.16 4.33 2.85 -1.23 -4.64 118.16 118.94 1iq3 n LYS 52 Ca 0.14 -0.06 0.11 0.00 -1.05 0.00 0.00 58.31 57.46 1iq3 n LYS 52 Cb 0.74 -1.84 0.21 0.00 -0.65 0.00 0.00 35.03 33.48 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 -4.16 0.05 -3.62 -5.58 4.32 -1.26 -4.60 117.00 102.15 1iq3 n LEU 53 Ca -0.11 0.80 -0.03 0.00 -0.02 0.00 0.00 56.01 56.65 1iq3 n LEU 53 Cb 0.45 -0.34 -0.02 0.00 -1.62 0.00 0.00 43.42 41.89 1iq3 n LEU 53 CO 0.60 -0.85 1.09 -0.55 -1.22 0.00 0.00 177.39 176.46 1iq3 s SER 54 N -4.89 -0.08 -0.68 -1.43 0.15 -1.26 -5.03 113.70 100.47 1iq3 s SER 54 Ca -0.05 0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.60 1iq3 s SER 54 Cb 0.15 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1iq3 s SER 54 CO 0.37 -0.13 0.50 0.00 1.20 0.00 0.00 173.24 175.19 1iq3 n ILE 55 N 0.02 -2.70 -1.63 6.45 3.06 -1.26 -4.71 119.36 118.58 1iq3 n ILE 55 Ca 0.02 -0.01 -0.48 0.00 -2.50 0.00 0.00 62.75 59.78 1iq3 n ILE 55 Cb 0.57 -2.41 -0.05 0.00 0.54 0.00 0.00 39.64 38.30 1iq3 n ILE 55 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1iq3 n PRO 56 N -2.23 1.66 -0.86 9.51 -0.04 -1.26 -4.83 135.00 136.94 1iq3 n PRO 56 Ca -0.27 0.60 -0.04 0.00 -0.04 0.00 0.00 63.50 63.75 1iq3 n PRO 56 Cb 0.59 -2.27 -0.04 0.00 -0.04 0.00 0.00 33.50 31.74 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 2.71 0.04 0.31 0.54 1.02 -1.26 -4.96 120.64 119.03 1iq3 n GLU 57 Ca 0.16 -0.60 0.11 0.00 -0.02 0.00 0.00 57.16 56.81 1iq3 n GLU 57 Cb 0.25 0.49 0.56 0.00 -0.02 0.00 0.00 31.44 32.72 1iq3 n GLU 57 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1iq3 h LEU 58 N 0.03 0.00 -1.69 -4.62 3.38 -1.98 -1.81 115.31 108.62 1iq3 h LEU 58 Ca -0.34 0.00 0.35 0.00 0.09 0.00 0.00 57.88 57.98 1iq3 h LEU 58 Cb 1.05 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.72 1iq3 h LEU 58 CO -0.17 0.00 0.83 0.28 0.09 0.00 0.00 178.44 179.47 1iq3 h SER 59 N 0.00 0.19 0.45 -0.43 0.02 -2.00 0.11 113.55 111.89 1iq3 h SER 59 Ca 0.02 0.05 -0.29 0.00 -0.84 0.00 0.00 61.79 60.73 1iq3 h SER 59 Cb 1.13 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.64 1iq3 h SER 59 CO -0.00 0.00 -1.76 0.00 -1.14 0.00 0.00 176.83 173.93 1iq3 n TYR 60 N -4.39 0.89 0.19 3.45 0.18 -0.68 -2.54 117.16 114.25 1iq3 n TYR 60 Ca 0.29 0.32 0.03 0.00 1.88 0.00 0.00 57.90 60.41 1iq3 n TYR 60 Cb 1.21 -1.15 0.37 0.00 -0.38 0.00 0.00 39.34 39.39 1iq3 n TYR 60 CO 0.00 0.00 0.00 0.82 -2.08 0.00 0.00 176.86 175.60 1iq3 h ILE 61 N 0.00 1.25 0.10 -3.48 1.08 -0.98 -2.70 117.51 112.79 1iq3 h ILE 61 Ca -0.30 -1.20 -0.35 0.00 -0.39 0.00 0.00 64.86 62.62 1iq3 h ILE 61 Cb 2.00 1.64 -0.02 0.00 -3.07 0.00 0.00 36.82 37.37 1iq3 h ILE 61 CO 0.07 0.34 -1.93 1.87 -0.69 0.00 0.00 178.15 177.81 1iq3 n TRP 62 N -4.12 1.25 0.30 1.37 -0.00 -0.51 -2.59 117.44 113.13 1iq3 n TRP 62 Ca -0.02 0.29 0.19 0.00 -0.00 0.00 0.00 57.50 57.96 1iq3 n TRP 62 Cb 0.39 -1.17 1.02 0.00 -0.00 0.00 0.00 31.31 31.54 1iq3 n TRP 62 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1iq3 h GLU 63 N 0.06 0.00 0.00 5.87 3.07 -1.41 -1.27 114.58 120.90 1iq3 h GLU 63 Ca -0.39 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.14 1iq3 h GLU 63 Cb 2.03 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.88 1iq3 h GLU 63 CO 0.09 0.00 -2.18 1.28 -1.40 0.00 0.00 179.01 176.80 1iq3 n LEU 64 N -3.43 0.23 -0.24 1.33 4.77 -1.03 -4.30 117.00 114.34 1iq3 n LEU 64 Ca -0.02 0.11 -0.08 0.00 -0.03 0.00 0.00 56.01 55.99 1iq3 n LEU 64 Cb 0.16 0.39 0.04 0.00 -2.33 0.00 0.00 43.42 41.67 1iq3 n LEU 64 CO 0.23 0.44 0.90 0.77 -1.33 0.00 0.00 177.39 178.40 1iq3 h SER 65 N 0.00 1.06 -4.24 -1.43 4.64 -0.99 -3.44 113.55 109.15 1iq3 h SER 65 Ca -0.45 -0.26 -0.47 0.00 -0.47 0.00 0.00 61.79 60.14 1iq3 h SER 65 Cb 2.11 -0.28 0.08 0.00 -0.31 0.00 0.00 62.40 64.01 1iq3 h SER 65 CO 0.04 1.05 0.33 -0.62 -0.87 0.00 0.00 176.83 176.76 1iq3 s ASP 66 N -6.47 4.96 -0.00 4.97 2.15 -0.81 -4.77 116.67 116.69 1iq3 s ASP 66 Ca -0.12 0.78 0.17 0.00 0.43 0.00 0.00 52.55 53.81 1iq3 s ASP 66 Cb 0.14 -1.45 0.29 0.00 -0.30 0.00 0.00 42.92 41.60 1iq3 s ASP 66 CO 0.85 -1.58 1.12 0.00 -0.17 0.00 0.00 175.17 175.39 1iq3 n ALA 67 N -3.04 2.83 -2.00 3.66 0.00 -1.26 -4.85 120.51 115.84 1iq3 n ALA 67 Ca 0.07 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.71 1iq3 n ALA 67 Cb 0.59 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1iq3 n ALA 67 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iq3 n ASP 68 N 0.31 0.00 -2.45 0.00 8.00 -1.26 -3.03 116.55 118.13 1iq3 n ASP 68 Ca -0.05 -1.11 -0.03 0.00 0.71 0.00 0.00 54.79 54.31 1iq3 n ASP 68 Cb 1.00 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 42.07 1iq3 n ASP 68 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iq3 h ASP 70 N -0.06 0.00 0.00 0.00 2.03 -1.98 -3.48 116.42 112.92 1iq3 h ASP 70 Ca -0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 1iq3 h ASP 70 Cb 0.93 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.43 1iq3 h ASP 70 CO 0.06 0.88 0.00 0.61 -1.03 0.00 0.00 179.24 179.76 1iq3 n GLY 71 N 1.49 1.31 3.28 7.15 0.00 -1.26 -5.09 105.19 112.08 1iq3 n GLY 71 Ca -0.14 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 1iq3 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iq3 s ALA 72 N -2.00 -0.57 -0.04 4.61 0.00 -1.26 -3.09 121.76 119.41 1iq3 s ALA 72 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 1iq3 s ALA 72 Cb 0.00 0.63 0.03 0.00 0.00 0.00 0.00 23.12 23.78 1iq3 s ALA 72 CO 0.00 -0.60 0.06 -0.51 0.00 0.00 0.00 175.76 174.72 1iq3 s LEU 73 N -2.84 0.54 1.04 0.00 1.02 -0.19 -4.76 118.68 113.48 1iq3 s LEU 73 Ca 0.05 0.10 -0.14 0.00 0.02 0.00 0.00 54.13 54.16 1iq3 s LEU 73 Cb 0.03 -0.05 0.21 0.00 0.02 0.00 0.00 46.19 46.40 1iq3 s LEU 73 CO -0.10 -0.19 1.11 0.42 0.02 0.00 0.00 176.35 177.60 1iq3 s THR 74 N 1.67 1.92 0.20 5.49 -4.23 -1.26 0.10 115.64 119.52 1iq3 s THR 74 Ca -0.02 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.36 1iq3 s THR 74 Cb -0.12 -2.54 0.16 0.00 1.34 0.00 0.00 72.50 71.34 1iq3 s THR 74 CO -0.03 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 175.97 1iq3 h LEU 75 N -2.01 -0.27 -1.64 4.79 5.85 -1.16 0.35 115.31 121.22 1iq3 h LEU 75 Ca -0.52 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.37 1iq3 h LEU 75 Cb 1.32 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 1iq3 h LEU 75 CO 0.53 -0.10 0.29 -0.65 -0.34 0.00 0.00 178.44 178.17 1iq3 h PRO 76 N 0.10 0.45 0.00 5.25 0.11 -1.90 -0.97 132.00 135.03 1iq3 h PRO 76 Ca 0.28 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.27 1iq3 h PRO 76 Cb 0.43 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1iq3 h PRO 76 CO -0.47 0.30 -0.43 0.93 -0.21 0.00 0.00 178.00 178.12 1iq3 h GLU 77 N 0.46 0.00 -0.20 1.05 5.08 -0.64 -2.94 114.58 117.40 1iq3 h GLU 77 Ca 0.18 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.37 1iq3 h GLU 77 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1iq3 h GLU 77 CO -0.04 0.43 -0.57 0.35 -1.00 0.00 0.00 179.01 178.17 1iq3 h PHE 78 N 0.00 0.80 -0.31 4.33 3.57 -0.33 -2.98 116.94 122.02 1iq3 h PHE 78 Ca -0.00 -0.29 0.09 0.00 3.53 0.00 0.00 57.97 61.30 1iq3 h PHE 78 Cb 0.78 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1iq3 h PHE 78 CO 0.00 1.05 0.70 0.00 -2.23 0.00 0.00 178.31 177.83 1iq3 n ALA 80 N -1.98 1.47 -0.06 0.00 0.00 -1.13 -4.16 120.51 114.64 1iq3 n ALA 80 Ca 0.06 -1.20 -0.08 0.00 0.00 0.00 0.00 53.44 52.22 1iq3 n ALA 80 Cb 0.82 -0.13 -0.01 0.00 0.00 0.00 0.00 19.45 20.13 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 0.42 0.28 0.00 0.00 0.00 -0.71 -0.50 119.26 118.75 1iq3 h ALA 81 Ca -0.56 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1iq3 h ALA 81 Cb 2.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1iq3 h ALA 81 CO -0.04 -0.33 0.00 0.34 0.00 0.00 0.00 179.25 179.22 1iq3 n PHE 82 N -5.04 0.01 0.08 0.00 7.35 -0.84 -2.58 117.46 116.44 1iq3 n PHE 82 Ca -0.01 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.46 1iq3 n PHE 82 Cb 0.09 -0.51 -0.13 0.00 0.35 0.00 0.00 39.48 39.29 1iq3 n PHE 82 CO 0.00 0.00 0.00 1.12 -0.76 0.00 0.00 176.76 177.12 1iq3 h HIS 83 N 0.00 0.99 0.00 -5.13 2.07 -1.25 -2.46 115.15 109.37 1iq3 h HIS 83 Ca 0.00 -0.61 0.00 0.00 -2.85 0.00 0.00 60.37 56.91 1iq3 h HIS 83 Cb 0.22 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 30.11 1iq3 h HIS 83 CO 0.00 1.45 -0.49 1.37 -3.07 0.00 0.00 177.93 177.20 1iq3 h LEU 84 N 0.24 0.00 0.00 6.12 -0.00 -1.43 -3.10 115.31 117.14 1iq3 h LEU 84 Ca -0.18 -0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.65 1iq3 h LEU 84 Cb 1.85 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.51 1iq3 h LEU 84 CO 0.23 0.00 -0.38 0.40 -0.00 0.00 0.00 178.44 178.69 1iq3 h ILE 85 N 0.00 0.70 0.00 0.15 5.03 -1.57 -3.34 117.51 118.48 1iq3 h ILE 85 Ca 0.00 -1.63 -0.01 0.00 -0.12 0.00 0.00 64.86 63.10 1iq3 h ILE 85 Cb 1.00 1.42 -0.00 0.00 -3.03 0.00 0.00 36.82 36.21 1iq3 h ILE 85 CO 0.00 0.24 -0.03 0.58 -0.68 0.00 0.00 178.15 178.26 1iq3 h VAL 86 N -1.00 0.58 -0.10 1.67 2.07 -1.61 -1.91 116.25 115.96 1iq3 h VAL 86 Ca -0.08 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1iq3 h VAL 86 Cb 0.67 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1iq3 h VAL 86 CO -0.05 0.03 0.42 0.00 0.02 0.00 0.00 177.57 177.99 1iq3 h ALA 87 N 1.97 1.56 0.00 1.67 0.00 -1.65 -2.09 119.26 120.72 1iq3 h ALA 87 Ca -0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1iq3 h ALA 87 Cb 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1iq3 h ALA 87 CO 0.00 -0.47 -1.98 -2.13 0.00 0.00 0.00 179.25 174.68 1iq3 n ARG 88 N -3.03 0.41 -0.03 0.00 0.63 -0.73 -1.30 116.66 112.61 1iq3 n ARG 88 Ca 0.00 0.12 -0.08 0.00 -0.92 0.00 0.00 57.85 56.97 1iq3 n ARG 88 Cb 0.49 -1.28 -0.02 0.00 0.45 0.00 0.00 32.46 32.10 1iq3 n ARG 88 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1iq3 h LYS 89 N -0.19 -0.14 0.00 -0.14 6.56 -1.38 0.91 116.57 122.18 1iq3 h LYS 89 Ca -0.40 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.20 1iq3 h LYS 89 Cb 1.53 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.22 1iq3 h LYS 89 CO -0.12 -0.10 0.00 -0.97 -2.06 0.00 0.00 179.45 176.20 1iq3 h ASN 90 N -0.15 0.00 0.00 0.86 -0.73 -1.65 -3.45 115.58 110.46 1iq3 h ASN 90 Ca 0.12 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.29 1iq3 h ASN 90 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1iq3 h ASN 90 CO -0.29 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.38 1iq3 n GLY 91 N -0.28 1.00 3.77 1.57 0.00 0.31 -5.07 105.19 106.50 1iq3 n GLY 91 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1iq3 n GLY 91 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iq3 s TYR 92 N -2.00 2.61 -0.12 1.61 1.51 -0.42 -4.89 117.35 115.66 1iq3 s TYR 92 Ca 0.00 1.55 -0.32 0.00 -1.01 0.00 0.00 57.07 57.29 1iq3 s TYR 92 Cb 0.00 -3.18 -0.10 0.00 -0.11 0.00 0.00 41.96 38.57 1iq3 s TYR 92 CO 0.00 -1.70 2.00 -2.30 -1.11 0.00 0.00 175.55 172.44 1iq3 n PRO 93 N -2.37 2.17 -1.65 -1.71 -0.02 -1.26 -4.30 135.00 125.86 1iq3 n PRO 93 Ca 0.10 0.75 -0.47 0.00 -2.02 0.00 0.00 63.50 61.87 1iq3 n PRO 93 Cb 0.52 -2.82 -0.04 0.00 -0.02 0.00 0.00 33.50 31.14 1iq3 n PRO 93 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1iq3 n LEU 94 N 8.17 2.82 0.00 2.45 -0.00 -1.26 -4.93 117.00 124.25 1iq3 n LEU 94 Ca 0.26 1.10 0.00 0.00 -0.00 0.00 0.00 56.01 57.37 1iq3 n LEU 94 Cb 0.34 -1.38 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 1iq3 n LEU 94 CO 0.71 -0.48 0.23 -0.81 -0.00 0.00 0.00 177.39 177.05 1iq3 n PRO 95 N 2.97 0.00 -3.99 1.47 -0.04 -1.26 -5.01 135.00 129.14 1iq3 n PRO 95 Ca 0.16 0.12 -0.10 0.00 -0.04 0.00 0.00 63.50 63.64 1iq3 n PRO 95 Cb 0.28 -1.00 -0.04 0.00 -0.04 0.00 0.00 33.50 32.70 1iq3 n PRO 95 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1iq3 s GLU 96 N -1.17 1.69 0.00 0.54 2.02 -1.26 -5.06 118.70 115.45 1iq3 s GLU 96 Ca 0.00 -1.36 0.00 0.00 0.02 0.00 0.00 54.97 53.63 1iq3 s GLU 96 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 34.13 34.72 1iq3 s GLU 96 CO 0.00 -0.72 0.76 0.41 0.02 0.00 0.00 175.26 175.73 1iq3 n GLY 97 N -0.43 0.16 3.21 -1.39 0.00 -1.26 -5.10 105.19 100.37 1iq3 n GLY 97 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1iq3 n GLY 97 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1iq3 s LEU 98 N 0.00 2.42 1.36 0.99 2.34 -1.26 -5.13 118.68 119.40 1iq3 s LEU 98 Ca 0.00 -0.83 -0.21 0.00 0.06 0.00 0.00 54.13 53.15 1iq3 s LEU 98 Cb 0.00 -0.41 0.35 0.00 -0.56 0.00 0.00 46.19 45.57 1iq3 s LEU 98 CO 0.00 -0.22 0.96 -2.16 -1.06 0.00 0.00 176.35 173.87 1iq3 s PRO 99 N -2.84 -2.48 -0.82 1.48 0.04 -1.26 -4.73 135.00 124.39 1iq3 s PRO 99 Ca 0.08 0.24 -0.25 0.00 0.04 0.00 0.00 61.00 61.11 1iq3 s PRO 99 Cb -0.03 -1.42 -0.16 0.00 0.04 0.00 0.00 34.50 32.93 1iq3 s PRO 99 CO 0.01 -4.60 2.38 -0.35 0.04 0.00 0.00 177.00 174.48 1iq3 n PRO 100 N -5.45 0.50 -2.70 0.56 -0.04 -1.26 -4.54 135.00 122.06 1iq3 n PRO 100 Ca 0.11 -0.90 -0.06 0.00 -0.04 0.00 0.00 63.50 62.61 1iq3 n PRO 100 Cb 0.59 -3.62 0.10 0.00 -0.04 0.00 0.00 33.50 30.53 1iq3 n PRO 100 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1iq3 n THR 101 N 8.71 0.00 -2.67 0.52 5.66 -1.26 -5.02 114.28 120.21 1iq3 n THR 101 Ca 0.47 -1.11 -0.05 0.00 -3.05 0.00 0.00 64.05 60.32 1iq3 n THR 101 Cb 0.42 1.28 0.04 0.00 -1.55 0.00 0.00 70.33 70.52 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 0.37 -1.43 -3.03 1.09 -0.00 -1.26 -5.03 117.00 107.70 1iq3 n LEU 102 Ca -0.00 -2.38 -0.16 0.00 -0.00 0.00 0.00 56.01 53.47 1iq3 n LEU 102 Cb 0.73 0.62 -0.01 0.00 -0.00 0.00 0.00 43.42 44.76 1iq3 n LEU 102 CO -0.03 1.44 -0.19 0.00 -0.00 0.00 0.00 177.39 178.61 1iq3 n GLN 103 N -0.41 1.08 0.03 1.96 10.64 -1.26 -4.92 117.38 124.49 1iq3 n GLN 103 Ca -0.17 -3.38 -0.13 0.00 -1.83 0.00 0.00 57.00 51.49 1iq3 n GLN 103 Cb 0.72 -1.60 -0.09 0.00 -0.86 0.00 0.00 30.24 28.42 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 3.00 -0.06 0.00 2.61 0.11 -2.01 -3.26 132.00 132.38 1iq3 h PRO 104 Ca 0.05 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.99 1iq3 h PRO 104 Cb 1.02 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1iq3 h PRO 104 CO 0.51 0.25 -1.33 0.93 -0.21 0.00 0.00 178.00 178.15 1iq3 h GLU 105 N -0.36 0.00 -1.89 1.05 4.39 -2.02 -3.36 114.58 112.39 1iq3 h GLU 105 Ca -0.01 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 1iq3 h GLU 105 Cb 0.33 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.87 1iq3 h GLU 105 CO 0.01 0.35 0.10 1.19 -1.16 0.00 0.00 179.01 179.49 1iq3 n PHE 106 N -2.95 0.82 -0.02 4.33 3.72 -1.23 -4.44 117.46 117.69 1iq3 n PHE 106 Ca -0.09 -1.64 -0.16 0.00 -0.05 0.00 0.00 57.45 55.51 1iq3 n PHE 106 Cb 0.85 -1.18 -0.11 0.00 -0.94 0.00 0.00 39.48 38.10 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 1.58 1.48 -4.47 4.37 2.04 -1.71 -3.40 117.51 117.40 1iq3 h ILE 107 Ca 0.24 -1.95 -0.48 0.00 1.00 0.00 0.00 64.86 63.66 1iq3 h ILE 107 Cb 1.05 2.61 0.08 0.00 -0.74 0.00 0.00 36.82 39.82 1iq3 h ILE 107 CO 0.50 0.55 0.40 -0.69 0.00 0.00 0.00 178.15 178.91 1iq3 s VAL 108 N -3.26 3.07 -1.51 1.67 1.01 -1.26 -3.97 120.40 116.15 1iq3 s VAL 108 Ca -0.14 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 1iq3 s VAL 108 Cb 0.02 -3.34 0.10 0.00 0.00 0.00 0.00 36.38 33.17 1iq3 s VAL 108 CO 0.78 -0.44 0.25 1.07 0.00 0.00 0.00 175.10 176.76 1iq3 n THR 109 N -3.07 -0.46 0.61 3.92 5.66 -1.26 -5.16 114.28 114.51 1iq3 n THR 109 Ca 0.07 -0.23 0.05 0.00 -3.05 0.00 0.00 64.05 60.89 1iq3 n THR 109 Cb 0.58 -0.67 0.29 0.00 -1.55 0.00 0.00 70.33 68.98 1iq3 n THR 109 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12