#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 0.00 -0.28 1.61 7.64 -1.26 -2.51 113.62 118.82 1iq3 n SER 2 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1iq3 n SER 2 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 1iq3 n SER 2 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1iq3 h LEU 3 N 0.00 1.06 -9.70 -3.43 5.85 -2.13 -3.42 115.31 103.53 1iq3 h LEU 3 Ca 0.00 -0.14 -0.54 0.00 0.84 0.00 0.00 57.88 58.05 1iq3 h LEU 3 Cb 0.00 -0.27 0.07 0.00 0.37 0.00 0.00 40.66 40.83 1iq3 h LEU 3 CO 0.00 0.91 0.91 0.00 -0.34 0.00 0.00 178.44 179.92 1iq3 n GLN 4 N -4.30 2.64 -0.73 1.25 6.02 -1.04 -4.98 117.38 116.24 1iq3 n GLN 4 Ca 0.08 0.95 -0.14 0.00 -0.01 0.00 0.00 57.00 57.87 1iq3 n GLN 4 Cb 0.16 -2.75 0.11 0.00 1.02 0.00 0.00 30.24 28.77 1iq3 n GLN 4 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1iq3 n ASP 5 N 3.02 -0.59 0.00 1.08 5.68 -1.26 -4.91 116.55 119.57 1iq3 n ASP 5 Ca 0.13 -1.06 0.00 0.00 -0.50 0.00 0.00 54.79 53.36 1iq3 n ASP 5 Cb 0.35 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 1iq3 n ASP 5 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1iq3 n ASN 6 N -3.60 2.08 -3.80 -1.12 6.94 -1.26 -5.04 115.26 109.46 1iq3 n ASN 6 Ca 0.08 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.50 1iq3 n ASN 6 Cb 0.27 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.55 1iq3 n ASN 6 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1iq3 s SER 7 N 1.63 -0.06 0.74 0.53 0.15 -1.26 -5.15 113.70 110.28 1iq3 s SER 7 Ca 0.00 0.18 -0.11 0.00 0.70 0.00 0.00 55.95 56.72 1iq3 s SER 7 Cb 0.00 0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.48 1iq3 s SER 7 CO 0.00 -0.08 1.12 -0.44 1.20 0.00 0.00 173.24 175.04 1iq3 s SER 8 N 0.54 5.01 -0.20 5.45 0.01 -1.26 -5.01 113.70 118.25 1iq3 s SER 8 Ca -0.04 0.92 -0.23 0.00 1.31 0.00 0.00 55.95 57.90 1iq3 s SER 8 Cb -0.06 -1.58 -0.02 0.00 0.21 0.00 0.00 66.02 64.57 1iq3 s SER 8 CO -0.02 -1.58 0.74 -0.47 0.41 0.00 0.00 173.24 172.31 1iq3 s TYR 9 N -3.43 3.37 -0.06 2.43 5.04 -1.26 -4.93 117.35 118.52 1iq3 s TYR 9 Ca 0.60 1.08 -0.02 0.00 -2.44 0.00 0.00 57.07 56.28 1iq3 s TYR 9 Cb -0.11 -2.93 -0.06 0.00 0.35 0.00 0.00 41.96 39.22 1iq3 s TYR 9 CO 0.50 -0.25 2.54 -0.35 -1.34 0.00 0.00 175.55 176.65 1iq3 n PRO 10 N 5.35 1.46 -3.65 4.97 -0.04 -1.26 -4.83 135.00 137.01 1iq3 n PRO 10 Ca 0.02 -0.59 -0.00 0.00 -0.04 0.00 0.00 63.50 62.89 1iq3 n PRO 10 Cb 0.49 -1.43 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 1iq3 n PRO 10 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1iq3 s ASP 11 N 1.72 -0.09 0.09 3.54 1.01 -1.26 -5.07 116.67 116.61 1iq3 s ASP 11 Ca 0.27 -0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.34 1iq3 s ASP 11 Cb 0.14 0.24 0.00 0.00 1.01 0.00 0.00 42.92 44.31 1iq3 s ASP 11 CO -0.01 -0.44 0.00 -0.62 0.21 0.00 0.00 175.17 174.31 1iq3 n GLU 12 N -0.46 0.00 -0.16 8.23 1.02 -1.26 -4.88 120.64 123.13 1iq3 n GLU 12 Ca -0.08 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.04 1iq3 n GLU 12 Cb 0.62 0.00 0.21 0.00 -0.02 0.00 0.00 31.44 32.25 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 0.88 0.00 3.49 0.13 -2.01 -3.28 132.00 131.21 1iq3 h PRO 13 Ca 0.00 -0.14 -0.08 0.00 -0.87 0.00 0.00 66.00 64.91 1iq3 h PRO 13 Cb 0.00 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 30.97 1iq3 h PRO 13 CO 0.00 0.72 -0.64 -1.49 -0.23 0.00 0.00 178.00 176.36 1iq3 h TRP 14 N 0.87 0.00 -4.63 1.56 -0.00 -1.99 -3.50 115.95 108.25 1iq3 h TRP 14 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.10 1iq3 h TRP 14 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.32 1iq3 h TRP 14 CO 0.01 0.62 -0.71 -2.13 -0.00 0.00 0.00 178.44 176.23 1iq3 n ARG 15 N -4.58 -3.40 0.00 0.49 0.63 -1.24 -5.05 116.66 103.52 1iq3 n ARG 15 Ca -0.15 2.49 0.00 0.00 -0.92 0.00 0.00 57.85 59.27 1iq3 n ARG 15 Cb 0.39 -3.31 0.00 0.00 0.45 0.00 0.00 32.46 30.00 1iq3 n ARG 15 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1iq3 n ILE 16 N 1.93 0.00 -2.71 5.15 0.13 -1.26 -5.06 119.36 117.55 1iq3 n ILE 16 Ca -0.05 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.61 1iq3 n ILE 16 Cb 0.07 0.00 0.02 0.00 -0.84 0.00 0.00 39.64 38.89 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 -1.23 -0.13 -1.00 9.51 -1.32 -1.26 -4.92 115.64 115.29 1iq3 s THR 17 Ca 0.00 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 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 3.29 -1.33 -0.09 7.08 -0.58 -1.26 -4.69 120.64 123.06 1iq3 n GLU 18 Ca 0.07 0.55 -0.09 0.00 -0.42 0.00 0.00 57.16 57.27 1iq3 n GLU 18 Cb 0.64 -4.77 -0.14 0.00 -0.57 0.00 0.00 31.44 26.60 1iq3 n GLU 18 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1iq3 n GLU 19 N -1.74 0.99 0.00 3.49 2.13 -1.26 -4.35 120.64 119.89 1iq3 n GLU 19 Ca -0.10 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1iq3 n GLU 19 Cb 0.34 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.58 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 -2.69 2.13 0.09 5.31 10.64 -1.26 -4.58 117.38 127.02 1iq3 n GLN 20 Ca -0.30 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 54.83 1iq3 n GLN 20 Cb 1.10 -0.94 0.17 0.00 -0.86 0.00 0.00 30.24 29.70 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 0.21 -0.35 2.61 2.43 -1.93 0.81 114.38 118.17 1iq3 h ARG 21 Ca 0.00 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 58.94 1iq3 h ARG 21 Cb 0.45 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1iq3 h ARG 21 CO 0.00 0.69 -0.18 0.93 -1.51 0.00 0.00 179.97 179.90 1iq3 h GLU 22 N 0.17 0.73 0.00 0.20 5.08 -1.83 -2.02 114.58 116.91 1iq3 h GLU 22 Ca 0.00 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1iq3 h GLU 22 Cb 0.98 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1iq3 h GLU 22 CO 0.08 0.94 0.00 -0.92 -1.00 0.00 0.00 179.01 178.11 1iq3 h TYR 23 N 0.51 0.00 -0.02 4.33 5.03 -1.78 -2.86 116.97 122.18 1iq3 h TYR 23 Ca 0.08 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.32 1iq3 h TYR 23 Cb 0.73 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.01 1iq3 h TYR 23 CO 0.06 0.00 -0.23 1.88 -1.32 0.00 0.00 178.16 178.55 1iq3 h TYR 24 N 0.00 0.27 0.00 -3.82 0.05 -0.62 -3.13 116.97 109.73 1iq3 h TYR 24 Ca 0.00 -0.13 -0.07 0.00 0.05 0.00 0.00 58.73 58.58 1iq3 h TYR 24 Cb 0.97 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.66 1iq3 h TYR 24 CO 0.00 0.89 -0.33 0.28 -1.05 0.00 0.00 178.16 177.96 1iq3 h VAL 25 N -0.43 0.85 0.00 -2.88 2.07 -1.44 -2.64 116.25 111.78 1iq3 h VAL 25 Ca -0.02 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.12 1iq3 h VAL 25 Cb 0.94 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1iq3 h VAL 25 CO 0.05 0.32 -0.23 -1.13 0.02 0.00 0.00 177.57 176.59 1iq3 h ASN 26 N 0.00 0.00 0.00 0.57 -0.73 -1.51 -0.31 115.58 113.60 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 0.78 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.37 1iq3 h ASN 26 CO 0.04 0.23 -0.28 -0.61 -0.37 0.00 0.00 177.43 176.45 1iq3 h GLN 27 N 0.00 0.00 0.00 6.67 5.75 -1.42 -3.29 115.11 122.82 1iq3 h GLN 27 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1iq3 h GLN 27 Cb 0.49 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1iq3 h GLN 27 CO 0.03 0.00 0.19 0.35 -2.65 0.00 0.00 178.83 176.75 1iq3 h PHE 28 N -0.88 0.00 -0.15 3.99 3.04 -1.55 -0.15 116.94 121.25 1iq3 h PHE 28 Ca 0.00 0.00 -0.23 0.00 3.98 0.00 0.00 57.97 61.72 1iq3 h PHE 28 Cb 0.28 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.80 1iq3 h PHE 28 CO -0.12 0.00 -0.79 -0.09 -2.02 0.00 0.00 178.31 175.29 1iq3 h ARG 29 N 0.00 0.79 -1.44 1.11 2.43 -1.16 -1.43 114.38 114.68 1iq3 h ARG 29 Ca 0.00 -0.65 0.42 0.00 -0.81 0.00 0.00 59.98 58.93 1iq3 h ARG 29 Cb 0.38 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 1iq3 h ARG 29 CO 0.00 1.26 1.14 1.03 -1.51 0.00 0.00 179.97 181.89 1iq3 h SER 30 N 0.54 0.00 0.00 -3.80 0.87 -1.08 0.54 113.55 110.62 1iq3 h SER 30 Ca -0.06 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 1iq3 h SER 30 Cb 1.42 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 1iq3 h SER 30 CO 0.16 0.00 -1.68 0.18 -0.53 0.00 0.00 176.83 174.97 1iq3 n LEU 31 N -3.86 0.00 -4.10 2.23 4.32 -1.16 -4.88 117.00 109.55 1iq3 n LEU 31 Ca 0.32 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.98 1iq3 n LEU 31 Cb 1.59 0.07 -0.14 0.00 -1.62 0.00 0.00 43.42 43.31 1iq3 n LEU 31 CO 0.38 0.07 -0.39 -1.58 -1.22 0.00 0.00 177.39 174.65 1iq3 s GLN 32 N -2.81 2.17 0.10 3.23 2.00 0.19 -4.99 119.66 119.56 1iq3 s GLN 32 Ca -0.05 -1.43 -0.23 0.00 -2.00 0.00 0.00 55.36 51.64 1iq3 s GLN 32 Cb 0.08 -3.07 -0.10 0.00 0.80 0.00 0.00 33.01 30.72 1iq3 s GLN 32 CO 0.56 -0.67 1.70 -1.35 -0.50 0.00 0.00 175.29 175.03 1iq3 h PRO 33 N 7.83 -0.15 -6.94 1.67 0.11 -1.88 -3.38 132.00 129.27 1iq3 h PRO 33 Ca -0.17 0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.42 1iq3 h PRO 33 Cb 1.04 0.03 0.20 0.00 0.11 0.00 0.00 31.00 32.39 1iq3 h PRO 33 CO 0.51 -0.10 -0.24 -0.25 -0.21 0.00 0.00 178.00 177.70 1iq3 n ASP 34 N -5.21 -0.97 0.03 -2.05 9.92 -1.26 -4.88 116.55 112.13 1iq3 n ASP 34 Ca -0.06 0.42 -0.01 0.00 -0.53 0.00 0.00 54.79 54.61 1iq3 n ASP 34 Cb 0.13 -1.31 0.28 0.00 -0.64 0.00 0.00 41.12 39.58 1iq3 n ASP 34 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1iq3 h PRO 35 N -1.38 0.45 0.00 -0.24 0.13 -2.00 -3.43 132.00 125.54 1iq3 h PRO 35 Ca -0.44 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1iq3 h PRO 35 Cb 1.29 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1iq3 h PRO 35 CO 0.39 0.58 0.00 0.45 -0.23 0.00 0.00 178.00 179.18 1iq3 n SER 36 N -4.21 0.00 0.00 1.44 2.88 -1.26 -4.99 113.62 107.47 1iq3 n SER 36 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1iq3 n SER 36 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1iq3 n SER 36 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1iq3 n SER 37 N -0.66 -0.53 -3.80 -3.46 2.88 -1.26 -4.09 113.62 102.70 1iq3 n SER 37 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1iq3 n SER 37 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1iq3 n SER 37 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1iq3 s PHE 38 N 0.00 -0.21 0.28 0.66 -0.12 -1.26 -0.80 117.98 116.53 1iq3 s PHE 38 Ca 0.00 0.51 -0.09 0.00 -0.05 0.00 0.00 56.93 57.30 1iq3 s PHE 38 Cb 0.00 0.07 -0.07 0.00 -0.63 0.00 0.00 43.02 42.39 1iq3 s PHE 38 CO 0.00 -0.15 0.60 0.42 -0.05 0.00 0.00 175.22 176.03 1iq3 s ILE 39 N -0.12 4.92 1.23 -4.49 1.01 -0.91 -4.81 121.20 118.03 1iq3 s ILE 39 Ca -0.02 0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.84 1iq3 s ILE 39 Cb -0.02 -3.67 0.32 0.00 0.01 0.00 0.00 42.46 39.10 1iq3 s ILE 39 CO 0.01 -0.22 0.72 -0.24 0.00 0.00 0.00 174.94 175.21 1iq3 n SER 40 N -0.55 -3.84 -0.03 3.58 2.88 -1.26 -1.47 113.62 112.93 1iq3 n SER 40 Ca 0.00 -0.73 -0.01 0.00 -1.33 0.00 0.00 58.87 56.80 1iq3 n SER 40 Cb 0.53 -0.83 -0.00 0.00 -0.75 0.00 0.00 64.21 63.16 1iq3 n SER 40 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1iq3 h GLY 41 N -3.20 0.00 1.01 0.46 0.00 0.29 -3.21 103.07 98.42 1iq3 h GLY 41 Ca -0.33 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1iq3 h GLY 41 CO 0.20 0.00 0.43 1.48 0.00 0.00 0.00 176.54 178.65 1iq3 h SER 42 N -0.58 0.91 -0.68 0.19 4.64 -1.94 -1.77 113.55 114.33 1iq3 h SER 42 Ca 0.00 -0.08 0.11 0.00 -0.47 0.00 0.00 61.79 61.35 1iq3 h SER 42 Cb 0.13 -0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 61.91 1iq3 h SER 42 CO 0.00 0.72 0.27 0.58 -0.87 0.00 0.00 176.83 177.53 1iq3 h VAL 43 N 1.02 0.73 -0.04 0.95 2.07 -1.94 -0.50 116.25 118.53 1iq3 h VAL 43 Ca 0.27 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 1iq3 h VAL 43 Cb -0.00 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1iq3 h VAL 43 CO -0.05 0.08 -0.07 0.00 0.02 0.00 0.00 177.57 177.55 1iq3 h ALA 44 N 1.47 0.06 0.00 1.67 0.00 -1.46 -2.91 119.26 118.10 1iq3 h ALA 44 Ca 0.35 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1iq3 h ALA 44 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1iq3 h ALA 44 CO -0.34 -0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.43 1iq3 n LYS 45 N -4.72 0.12 0.04 0.00 5.02 -0.70 -1.62 118.16 116.30 1iq3 n LYS 45 Ca -0.08 0.62 -0.07 0.00 -2.02 0.00 0.00 58.31 56.75 1iq3 n LYS 45 Cb 0.32 -1.89 0.09 0.00 -0.02 0.00 0.00 35.03 33.53 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 0.47 0.12 4.39 -1.24 -0.89 -3.33 115.58 115.10 1iq3 h ASN 46 Ca 0.00 -0.26 -0.36 0.00 0.71 0.00 0.00 56.30 56.39 1iq3 h ASN 46 Cb 0.00 -0.14 -0.05 0.00 0.73 0.00 0.00 38.32 38.87 1iq3 h ASN 46 CO 0.00 0.94 -2.18 2.22 -1.29 0.00 0.00 177.43 177.12 1iq3 n PHE 47 N -3.93 0.59 -0.28 0.67 1.16 -0.64 -4.14 117.46 110.89 1iq3 n PHE 47 Ca -0.03 0.15 0.33 0.00 -1.87 0.00 0.00 57.45 56.03 1iq3 n PHE 47 Cb 0.60 -1.09 0.60 0.00 -1.61 0.00 0.00 39.48 37.99 1iq3 n PHE 47 CO 0.00 0.00 0.00 0.74 -1.87 0.00 0.00 176.76 175.63 1iq3 h PHE 48 N 0.02 0.00 -1.70 2.97 0.04 -1.59 0.22 116.94 116.91 1iq3 h PHE 48 Ca -0.47 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 59.74 1iq3 h PHE 48 Cb 2.02 0.00 -0.42 0.00 2.20 0.00 0.00 35.95 39.76 1iq3 h PHE 48 CO 0.04 0.00 -0.78 -2.37 -0.60 0.00 0.00 178.31 174.59 1iq3 n THR 49 N -3.55 2.27 -0.16 -1.55 5.66 -1.25 -4.73 114.28 110.97 1iq3 n THR 49 Ca 0.26 -4.89 0.24 0.00 -3.05 0.00 0.00 64.05 56.61 1iq3 n THR 49 Cb 1.47 -1.03 0.66 0.00 -1.55 0.00 0.00 70.33 69.88 1iq3 n THR 49 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 1iq3 h LYS 50 N 2.76 0.12 -0.55 1.09 2.10 -0.73 -3.30 116.57 118.07 1iq3 h LYS 50 Ca 0.20 -0.01 -0.28 0.00 -2.00 0.00 0.00 60.65 58.56 1iq3 h LYS 50 Cb 0.84 -0.03 -0.19 0.00 -0.90 0.00 0.00 32.23 31.95 1iq3 h LYS 50 CO 0.78 0.08 -0.61 0.43 -2.00 0.00 0.00 179.45 178.13 1iq3 n SER 51 N -4.36 -2.42 -3.90 7.07 7.64 -1.26 -4.99 113.62 111.41 1iq3 n SER 51 Ca 0.17 -3.12 -0.29 0.00 1.01 0.00 0.00 58.87 56.64 1iq3 n SER 51 Cb 0.81 1.35 -0.01 0.00 -1.01 0.00 0.00 64.21 65.35 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 1.84 -0.63 -1.32 1.43 2.85 -1.24 -4.41 118.16 116.68 1iq3 n LYS 52 Ca 0.13 -0.08 -0.25 0.00 -1.05 0.00 0.00 58.31 57.06 1iq3 n LYS 52 Cb 0.60 -1.67 -0.18 0.00 -0.65 0.00 0.00 35.03 33.13 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 -3.64 -0.74 -2.62 -5.58 4.32 -1.26 -2.57 117.00 104.90 1iq3 n LEU 53 Ca -0.12 -0.25 -0.01 0.00 -0.02 0.00 0.00 56.01 55.60 1iq3 n LEU 53 Cb 0.41 -0.59 -0.01 0.00 -1.62 0.00 0.00 43.42 41.61 1iq3 n LEU 53 CO 0.53 -1.04 -0.50 -0.24 -1.22 0.00 0.00 177.39 174.92 1iq3 n SER 54 N 6.44 -6.34 -1.94 -1.43 2.88 -1.26 -4.81 113.62 107.16 1iq3 n SER 54 Ca 0.59 1.34 0.00 0.00 -1.33 0.00 0.00 58.87 59.47 1iq3 n SER 54 Cb 0.09 -5.07 0.00 0.00 -0.75 0.00 0.00 64.21 58.48 1iq3 n SER 54 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1iq3 n ILE 55 N 0.84 -6.21 -1.56 2.46 5.41 -1.06 -4.57 119.36 114.66 1iq3 n ILE 55 Ca -0.07 2.68 -0.35 0.00 1.00 0.00 0.00 62.75 66.00 1iq3 n ILE 55 Cb 0.11 -3.52 -0.03 0.00 -0.71 0.00 0.00 39.64 35.49 1iq3 n ILE 55 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1iq3 s PRO 56 N -1.89 2.06 0.00 0.38 0.04 -1.26 -4.48 135.00 129.85 1iq3 s PRO 56 Ca 0.00 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1iq3 s PRO 56 Cb 0.00 -4.60 0.00 0.00 0.04 0.00 0.00 34.50 29.94 1iq3 s PRO 56 CO 0.00 -3.36 0.47 -1.91 0.04 0.00 0.00 177.00 172.24 1iq3 n GLU 57 N 9.00 0.00 0.04 4.56 2.13 -1.26 -4.93 120.64 130.18 1iq3 n GLU 57 Ca 0.37 -0.11 0.04 0.00 0.66 0.00 0.00 57.16 58.12 1iq3 n GLU 57 Cb 0.54 0.07 0.20 0.00 0.27 0.00 0.00 31.44 32.52 1iq3 n GLU 57 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1iq3 n LEU 58 N 0.00 0.15 0.05 4.31 7.99 -1.26 -2.67 117.00 125.56 1iq3 n LEU 58 Ca -0.03 0.56 -0.11 0.00 -0.01 0.00 0.00 56.01 56.41 1iq3 n LEU 58 Cb 0.44 -0.57 -0.06 0.00 -0.11 0.00 0.00 43.42 43.13 1iq3 n LEU 58 CO -0.02 -0.54 0.82 0.28 -1.51 0.00 0.00 177.39 176.42 1iq3 h SER 59 N 0.00 -0.22 0.55 -1.43 0.02 -1.97 -0.77 113.55 109.73 1iq3 h SER 59 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1iq3 h SER 59 Cb 0.07 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1iq3 h SER 59 CO 0.00 -0.11 0.00 0.10 -1.14 0.00 0.00 176.83 175.68 1iq3 h TYR 60 N -0.14 0.00 0.06 3.45 -0.00 -1.94 -2.62 116.97 115.78 1iq3 h TYR 60 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.75 1iq3 h TYR 60 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.90 1iq3 h TYR 60 CO -0.14 0.00 -0.03 0.82 -0.00 0.00 0.00 178.16 178.81 1iq3 h ILE 61 N 0.00 1.21 -0.85 -0.90 5.03 -1.27 -2.98 117.51 117.74 1iq3 h ILE 61 Ca 0.00 -1.01 -0.00 0.00 -0.12 0.00 0.00 64.86 63.72 1iq3 h ILE 61 Cb 0.27 1.86 -0.04 0.00 -3.03 0.00 0.00 36.82 35.88 1iq3 h ILE 61 CO 0.00 0.25 0.52 -0.25 -0.68 0.00 0.00 178.15 177.98 1iq3 h TRP 62 N -0.55 1.11 -1.00 1.37 2.91 -1.15 -0.36 115.95 118.28 1iq3 h TRP 62 Ca -0.01 -0.00 0.21 0.00 1.13 0.00 0.00 58.89 60.22 1iq3 h TRP 62 Cb 0.47 -0.37 -0.11 0.00 -0.51 0.00 0.00 29.16 28.65 1iq3 h TRP 62 CO 0.08 0.74 0.60 1.49 -1.03 0.00 0.00 178.44 180.32 1iq3 h GLU 63 N 1.16 0.69 0.00 2.65 4.22 -1.43 0.37 114.58 122.24 1iq3 h GLU 63 Ca 0.30 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.67 1iq3 h GLU 63 Cb -0.05 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1iq3 h GLU 63 CO -0.06 0.45 -0.61 -0.07 -2.18 0.00 0.00 179.01 176.55 1iq3 h LEU 64 N 0.71 0.00 -0.11 1.64 3.38 -1.20 -3.25 115.31 116.48 1iq3 h LEU 64 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 1iq3 h LEU 64 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1iq3 h LEU 64 CO -0.41 0.14 0.00 -1.28 0.09 0.00 0.00 178.44 176.98 1iq3 h SER 65 N 0.00 0.00 -3.37 -0.43 0.87 0.13 -3.46 113.55 107.29 1iq3 h SER 65 Ca -0.02 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.08 1iq3 h SER 65 Cb 1.12 0.00 0.06 0.00 -0.44 0.00 0.00 62.40 63.15 1iq3 h SER 65 CO 0.01 0.00 0.13 -0.62 -0.53 0.00 0.00 176.83 175.83 1iq3 s ASP 66 N -4.89 5.18 0.00 6.23 -1.08 0.05 -4.70 116.67 117.46 1iq3 s ASP 66 Ca 0.09 0.40 0.00 0.00 -0.52 0.00 0.00 52.55 52.52 1iq3 s ASP 66 Cb 0.10 -1.22 0.00 0.00 -1.46 0.00 0.00 42.92 40.34 1iq3 s ASP 66 CO 0.59 -1.30 0.26 0.00 0.52 0.00 0.00 175.17 175.24 1iq3 n ALA 67 N -2.65 0.92 -1.48 3.66 0.00 -1.26 -4.87 120.51 114.84 1iq3 n ALA 67 Ca 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 53.44 53.25 1iq3 n ALA 67 Cb 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.03 -0.04 -2.59 0.00 5.68 -1.26 -4.95 116.55 113.36 1iq3 n ASP 68 Ca 0.00 -0.08 -0.05 0.00 -0.50 0.00 0.00 54.79 54.17 1iq3 n ASP 68 Cb 0.21 0.01 -0.01 0.00 -1.14 0.00 0.00 41.12 40.19 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 -1.49 0.23 -0.02 0.00 5.75 -1.26 -4.84 116.55 114.92 1iq3 n ASP 70 Ca 0.01 0.56 -0.00 0.00 -0.01 0.00 0.00 54.79 55.35 1iq3 n ASP 70 Cb 0.46 -0.61 -0.00 0.00 -1.03 0.00 0.00 41.12 39.94 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 -0.06 0.41 3.26 6.12 0.00 -1.26 -4.95 105.19 108.71 1iq3 n GLY 71 Ca 0.03 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.01 -0.70 -0.27 4.61 0.00 -1.26 0.25 121.76 122.39 1iq3 s ALA 72 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 1iq3 s ALA 72 Cb 0.00 0.38 0.12 0.00 0.00 0.00 0.00 23.12 23.62 1iq3 s ALA 72 CO 0.00 -0.45 0.27 -0.51 0.00 0.00 0.00 175.76 175.06 1iq3 s LEU 73 N -2.22 -0.16 1.20 0.00 1.02 -0.54 -4.87 118.68 113.11 1iq3 s LEU 73 Ca -0.03 -0.62 -0.18 0.00 0.02 0.00 0.00 54.13 53.32 1iq3 s LEU 73 Cb 0.00 0.43 0.25 0.00 0.02 0.00 0.00 46.19 46.89 1iq3 s LEU 73 CO -0.05 -0.37 0.53 0.35 0.02 0.00 0.00 176.35 176.83 1iq3 n THR 74 N 5.31 0.00 -0.15 5.49 -2.24 -1.26 -2.13 114.28 119.30 1iq3 n THR 74 Ca -0.03 -0.10 -0.04 0.00 -2.27 0.00 0.00 64.05 61.61 1iq3 n THR 74 Cb 0.47 -0.72 0.05 0.00 -2.10 0.00 0.00 70.33 68.04 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 -2.96 0.21 -2.05 3.22 5.85 -1.11 0.18 115.31 118.65 1iq3 h LEU 75 Ca -0.36 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.49 1iq3 h LEU 75 Cb 1.07 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1iq3 h LEU 75 CO 0.24 0.15 0.21 -0.65 -0.34 0.00 0.00 178.44 178.05 1iq3 h PRO 76 N 0.37 0.00 0.00 5.25 0.11 -1.88 0.12 132.00 135.97 1iq3 h PRO 76 Ca 0.23 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.18 1iq3 h PRO 76 Cb 0.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 1iq3 h PRO 76 CO -0.22 0.00 -0.73 0.93 -0.21 0.00 0.00 178.00 177.77 1iq3 h GLU 77 N 0.00 0.00 0.00 1.05 5.08 -0.95 -3.16 114.58 116.61 1iq3 h GLU 77 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1iq3 h GLU 77 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1iq3 h GLU 77 CO -0.00 0.73 -0.10 0.35 -1.00 0.00 0.00 179.01 178.99 1iq3 h PHE 78 N 0.00 0.00 -0.19 4.33 3.04 0.35 -3.04 116.94 121.42 1iq3 h PHE 78 Ca -0.01 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 1iq3 h PHE 78 Cb 1.49 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.99 1iq3 h PHE 78 CO 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 178.31 176.28 1iq3 h ALA 80 N 0.77 0.10 -0.57 0.00 0.00 -1.68 -3.03 119.26 114.85 1iq3 h ALA 80 Ca 0.05 -0.64 0.11 0.00 0.00 0.00 0.00 54.91 54.43 1iq3 h ALA 80 Cb 0.42 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.15 1iq3 h ALA 80 CO 0.01 0.53 -0.25 0.00 0.00 0.00 0.00 179.25 179.55 1iq3 h ALA 81 N 0.36 0.15 -0.47 0.00 0.00 -1.56 0.15 119.26 117.89 1iq3 h ALA 81 Ca -0.11 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1iq3 h ALA 81 Cb 1.53 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.92 1iq3 h ALA 81 CO 0.17 -0.57 0.04 0.74 0.00 0.00 0.00 179.25 179.63 1iq3 h PHE 82 N -0.11 0.79 0.00 0.00 -1.00 -1.58 -1.72 116.94 113.33 1iq3 h PHE 82 Ca 0.25 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.94 1iq3 h PHE 82 Cb 0.51 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.84 1iq3 h PHE 82 CO -0.56 0.72 0.00 0.72 -1.61 0.00 0.00 178.31 177.59 1iq3 n HIS 83 N -4.24 0.65 -0.05 -0.55 8.25 0.49 -1.50 115.22 118.28 1iq3 n HIS 83 Ca 0.03 0.34 -0.18 0.00 -0.26 0.00 0.00 57.72 57.64 1iq3 n HIS 83 Cb 0.27 -1.04 -0.13 0.00 1.12 0.00 0.00 29.99 30.21 1iq3 n HIS 83 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1iq3 n LEU 84 N -2.17 2.40 0.20 2.41 4.77 -0.66 -3.06 117.00 120.89 1iq3 n LEU 84 Ca -0.01 0.11 0.08 0.00 -0.03 0.00 0.00 56.01 56.16 1iq3 n LEU 84 Cb 0.04 -0.82 0.29 0.00 -2.33 0.00 0.00 43.42 40.60 1iq3 n LEU 84 CO 0.09 0.81 0.71 0.40 -1.33 0.00 0.00 177.39 178.07 1iq3 h ILE 85 N 0.04 0.55 0.00 -0.08 5.03 -1.25 -3.19 117.51 118.60 1iq3 h ILE 85 Ca -0.47 -1.42 -0.26 0.00 -0.12 0.00 0.00 64.86 62.60 1iq3 h ILE 85 Cb 2.00 1.99 -0.04 0.00 -3.03 0.00 0.00 36.82 37.74 1iq3 h ILE 85 CO 0.03 0.26 -1.59 0.58 -0.68 0.00 0.00 178.15 176.75 1iq3 h VAL 86 N 0.00 0.80 -1.03 1.67 2.07 -1.43 -3.36 116.25 114.96 1iq3 h VAL 86 Ca -0.00 -2.56 0.37 0.00 0.82 0.00 0.00 66.70 65.33 1iq3 h VAL 86 Cb 0.97 2.34 -0.16 0.00 -1.52 0.00 0.00 31.29 32.93 1iq3 h VAL 86 CO 0.03 0.46 0.59 0.00 0.02 0.00 0.00 177.57 178.67 1iq3 h ALA 87 N 1.11 2.11 -0.18 1.67 0.00 -1.52 0.35 119.26 122.79 1iq3 h ALA 87 Ca -0.24 0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1iq3 h ALA 87 Cb 1.89 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.87 1iq3 h ALA 87 CO 0.07 -0.79 -0.06 0.00 0.00 0.00 0.00 179.25 178.47 1iq3 h ARG 88 N 0.18 -0.02 0.00 0.00 3.08 -1.74 0.46 114.38 116.34 1iq3 h ARG 88 Ca 0.79 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.84 1iq3 h ARG 88 Cb 1.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.03 1iq3 h ARG 88 CO -0.65 -0.01 0.00 1.63 -1.07 0.00 0.00 179.97 179.87 1iq3 n LYS 89 N -5.21 0.06 -0.24 0.04 4.01 0.11 -2.86 118.16 114.07 1iq3 n LYS 89 Ca -0.03 0.08 0.07 0.00 -0.51 0.00 0.00 58.31 57.92 1iq3 n LYS 89 Cb 0.13 -1.50 0.17 0.00 -0.51 0.00 0.00 35.03 33.32 1iq3 n LYS 89 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1iq3 n ASN 90 N -1.46 3.07 -3.70 4.39 2.85 -0.13 -5.00 115.26 115.28 1iq3 n ASN 90 Ca 0.07 -2.57 -0.26 0.00 -0.11 0.00 0.00 54.58 51.70 1iq3 n ASN 90 Cb 0.27 -0.35 0.01 0.00 1.24 0.00 0.00 39.78 40.95 1iq3 n ASN 90 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1iq3 n GLY 91 N -0.35 -1.14 3.24 8.20 0.00 0.14 -4.93 105.19 110.35 1iq3 n GLY 91 Ca 0.14 0.50 -0.36 0.00 0.00 0.00 0.00 46.02 46.30 1iq3 n GLY 91 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1iq3 s TYR 92 N -3.20 3.19 0.15 1.61 6.14 -0.30 -5.02 117.35 119.92 1iq3 s TYR 92 Ca 0.21 -1.50 -0.30 0.00 0.64 0.00 0.00 57.07 56.11 1iq3 s TYR 92 Cb -0.09 -2.17 -0.08 0.00 0.42 0.00 0.00 41.96 40.04 1iq3 s TYR 92 CO 0.88 -0.72 1.23 -1.25 0.64 0.00 0.00 175.55 176.33 1iq3 s PRO 93 N 1.36 4.45 -0.27 4.97 0.04 -1.26 -4.77 135.00 139.51 1iq3 s PRO 93 Ca -0.02 1.89 -0.23 0.00 0.04 0.00 0.00 61.00 62.68 1iq3 s PRO 93 Cb -0.18 -3.26 0.08 0.00 0.04 0.00 0.00 34.50 31.17 1iq3 s PRO 93 CO -0.00 -0.18 0.75 -1.17 0.04 0.00 0.00 177.00 176.44 1iq3 s LEU 94 N 0.22 -0.75 0.58 -3.56 2.96 -1.26 -5.01 118.68 111.85 1iq3 s LEU 94 Ca 0.56 1.39 0.30 0.00 -0.22 0.00 0.00 54.13 56.16 1iq3 s LEU 94 Cb -0.33 2.38 1.43 0.00 0.50 0.00 0.00 46.19 50.18 1iq3 s LEU 94 CO 0.34 -0.24 1.82 -0.65 -1.32 0.00 0.00 176.35 176.31 1iq3 h PRO 95 N 5.29 0.00 0.00 0.98 0.11 -2.07 -3.46 132.00 132.85 1iq3 h PRO 95 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1iq3 h PRO 95 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1iq3 h PRO 95 CO 0.08 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.02 1iq3 n GLU 96 N -3.82 0.00 -4.49 1.05 0.28 -1.26 -4.81 120.64 107.59 1iq3 n GLU 96 Ca 0.14 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.85 1iq3 n GLU 96 Cb 0.88 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.67 1iq3 n GLU 96 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1iq3 s GLY 97 N 0.00 2.67 -0.26 -1.84 0.00 -1.26 -5.07 107.32 101.55 1iq3 s GLY 97 Ca 0.00 -1.37 0.23 0.00 0.00 0.00 0.00 44.72 43.57 1iq3 s GLY 97 CO 0.00 -2.08 1.10 1.47 0.00 0.00 0.00 173.10 173.59 1iq3 n LEU 98 N -1.23 1.56 -0.31 0.66 -0.00 -1.26 -4.90 117.00 111.51 1iq3 n LEU 98 Ca -0.09 -3.06 -0.04 0.00 -0.00 0.00 0.00 56.01 52.81 1iq3 n LEU 98 Cb 0.66 0.48 0.09 0.00 -0.00 0.00 0.00 43.42 44.64 1iq3 n LEU 98 CO 0.43 1.06 1.12 1.55 -0.00 0.00 0.00 177.39 181.55 1iq3 h PRO 99 N 2.63 1.22 -0.15 1.47 0.13 -1.98 -3.14 132.00 132.19 1iq3 h PRO 99 Ca -0.14 -0.17 0.05 0.00 -0.87 0.00 0.00 66.00 64.86 1iq3 h PRO 99 Cb 1.26 -0.22 -0.07 0.00 0.13 0.00 0.00 31.00 32.10 1iq3 h PRO 99 CO 0.20 0.93 -0.38 -1.35 -0.23 0.00 0.00 178.00 177.17 1iq3 h PRO 100 N 1.21 -0.43 0.00 1.56 0.11 -2.01 -3.42 132.00 129.03 1iq3 h PRO 100 Ca 0.29 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1iq3 h PRO 100 Cb 0.11 0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1iq3 h PRO 100 CO -0.04 -0.29 0.00 -2.37 -0.21 0.00 0.00 178.00 175.10 1iq3 n THR 101 N -5.43 0.00 0.00 -1.15 5.66 -1.19 -5.09 114.28 107.08 1iq3 n THR 101 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1iq3 n THR 101 Cb 0.35 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 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 0.00 0.00 -4.74 1.09 -0.00 -1.23 -5.07 117.00 107.05 1iq3 n LEU 102 Ca 0.00 0.00 -0.65 0.00 -0.00 0.00 0.00 56.01 55.36 1iq3 n LEU 102 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 1iq3 n LEU 102 CO 0.00 0.00 1.20 0.00 -0.00 0.00 0.00 177.39 178.59 1iq3 n GLN 103 N 0.00 0.33 -1.93 1.96 6.02 -1.26 -4.71 117.38 117.79 1iq3 n GLN 103 Ca 0.00 0.12 -0.24 0.00 -0.01 0.00 0.00 57.00 56.87 1iq3 n GLN 103 Cb 0.00 -1.67 -0.07 0.00 1.02 0.00 0.00 30.24 29.52 1iq3 n GLN 103 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1iq3 s PRO 104 N 3.16 2.17 0.00 -1.09 0.04 -1.26 -4.45 135.00 133.57 1iq3 s PRO 104 Ca 1.03 -0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1iq3 s PRO 104 Cb -1.38 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 28.05 1iq3 s PRO 104 CO 0.77 -4.20 0.12 -1.91 0.04 0.00 0.00 177.00 171.83 1iq3 n GLU 105 N 8.43 3.94 -2.77 4.56 2.13 -1.26 -4.79 120.64 130.89 1iq3 n GLU 105 Ca 0.43 -0.12 -0.02 0.00 0.66 0.00 0.00 57.16 58.11 1iq3 n GLU 105 Cb 0.46 -0.57 0.07 0.00 0.27 0.00 0.00 31.44 31.67 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 -0.60 0.41 -0.25 4.31 -1.74 -1.26 -4.95 117.46 113.37 1iq3 n PHE 106 Ca 0.00 -2.16 -0.01 0.00 -0.56 0.00 0.00 57.45 54.73 1iq3 n PHE 106 Cb 0.01 0.19 0.06 0.00 1.52 0.00 0.00 39.48 41.25 1iq3 n PHE 106 CO 0.00 0.00 0.00 0.82 -0.56 0.00 0.00 176.76 177.02 1iq3 h ILE 107 N 4.68 0.19 -5.54 1.97 2.04 -1.92 -3.46 117.51 115.47 1iq3 h ILE 107 Ca -0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1iq3 h ILE 107 Cb 1.26 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1iq3 h ILE 107 CO 0.15 0.00 -0.81 0.52 0.00 0.00 0.00 178.15 178.01 1iq3 n VAL 108 N -5.48 -1.66 -1.62 1.67 0.31 -1.26 -4.87 118.33 105.42 1iq3 n VAL 108 Ca 0.08 0.41 -0.14 0.00 -0.01 0.00 0.00 64.34 64.68 1iq3 n VAL 108 Cb 0.38 -2.53 0.13 0.00 -0.91 0.00 0.00 33.84 30.91 1iq3 n VAL 108 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1iq3 n THR 109 N 1.22 2.69 -0.44 2.52 5.66 -1.26 -5.27 114.28 119.40 1iq3 n THR 109 Ca 0.00 -3.25 0.00 0.00 -3.05 0.00 0.00 64.05 57.75 1iq3 n THR 109 Cb 0.41 -0.68 0.00 0.00 -1.55 0.00 0.00 70.33 68.51 1iq3 n THR 109 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49