#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 0.59 -3.19 1.61 2.88 -1.26 -4.78 113.62 109.46 1iq3 n SER 2 Ca 0.00 -1.48 -0.13 0.00 -1.33 0.00 0.00 58.87 55.93 1iq3 n SER 2 Cb 0.00 -0.24 0.01 0.00 -0.75 0.00 0.00 64.21 63.23 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 0.00 -4.25 0.00 2.46 7.99 -1.26 -4.99 117.00 116.96 1iq3 n LEU 3 Ca 0.06 0.38 0.00 0.00 -0.01 0.00 0.00 56.01 56.45 1iq3 n LEU 3 Cb 0.23 -1.99 0.00 0.00 -0.11 0.00 0.00 43.42 41.55 1iq3 n LEU 3 CO 0.16 -1.32 0.00 0.00 -1.51 0.00 0.00 177.39 174.72 1iq3 n GLN 4 N 0.61 1.31 -2.67 3.23 6.02 -1.26 -5.08 117.38 119.54 1iq3 n GLN 4 Ca -0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.93 1iq3 n GLN 4 Cb 0.49 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.79 1iq3 n GLN 4 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1iq3 n ASP 5 N -1.85 -1.41 -1.78 1.08 2.03 -1.26 -4.99 116.55 108.37 1iq3 n ASP 5 Ca 0.00 -2.03 -0.13 0.00 0.52 0.00 0.00 54.79 53.15 1iq3 n ASP 5 Cb 0.00 1.12 0.14 0.00 -0.72 0.00 0.00 41.12 41.66 1iq3 n ASP 5 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1iq3 n ASN 6 N -0.24 3.61 -4.10 1.67 3.02 -1.26 -4.87 115.26 113.09 1iq3 n ASN 6 Ca -0.15 -3.02 -0.24 0.00 -0.03 0.00 0.00 54.58 51.14 1iq3 n ASN 6 Cb 0.72 -0.72 -0.16 0.00 -0.61 0.00 0.00 39.78 39.01 1iq3 n ASN 6 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1iq3 s SER 7 N -0.55 1.85 -0.18 6.41 1.04 -1.26 -5.12 113.70 115.89 1iq3 s SER 7 Ca 0.38 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.52 1iq3 s SER 7 Cb 0.32 -0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.01 1iq3 s SER 7 CO 0.08 0.14 -0.11 -0.55 0.98 0.00 0.00 173.24 173.77 1iq3 s SER 8 N 0.02 3.15 -0.44 7.02 0.15 -1.26 -5.02 113.70 117.32 1iq3 s SER 8 Ca -0.02 -0.76 0.03 0.00 0.70 0.00 0.00 55.95 55.90 1iq3 s SER 8 Cb -0.10 -1.20 0.24 0.00 -1.71 0.00 0.00 66.02 63.26 1iq3 s SER 8 CO 0.01 -0.12 0.97 0.00 1.20 0.00 0.00 173.24 175.30 1iq3 n TYR 9 N 4.72 -2.52 0.00 3.44 4.11 -1.26 -5.15 117.16 120.50 1iq3 n TYR 9 Ca -0.15 -1.35 0.00 0.00 -0.00 0.00 0.00 57.90 56.40 1iq3 n TYR 9 Cb 0.48 1.40 0.00 0.00 -0.00 0.00 0.00 39.34 41.22 1iq3 n TYR 9 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 1iq3 n PRO 10 N 1.87 1.35 -3.64 -3.48 -0.02 -1.26 -5.08 135.00 124.74 1iq3 n PRO 10 Ca 0.09 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.49 1iq3 n PRO 10 Cb 0.64 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.05 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 -2.10 -0.33 0.15 2.55 2.15 -1.26 -5.08 116.67 112.75 1iq3 s ASP 11 Ca 0.00 0.61 0.00 0.00 0.43 0.00 0.00 52.55 53.59 1iq3 s ASP 11 Cb 0.00 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.23 1iq3 s ASP 11 CO 0.00 -0.13 0.00 -0.62 -0.17 0.00 0.00 175.17 174.25 1iq3 n GLU 12 N 1.88 0.00 0.00 4.34 1.02 -1.26 -4.91 120.64 121.70 1iq3 n GLU 12 Ca -0.11 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.12 1iq3 n GLU 12 Cb 0.56 0.00 0.55 0.00 -0.02 0.00 0.00 31.44 32.53 1iq3 n GLU 12 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1iq3 n PRO 13 N -2.97 0.54 -1.49 3.49 -0.04 -1.26 -4.82 135.00 128.45 1iq3 n PRO 13 Ca 0.00 0.02 -0.17 0.00 -0.04 0.00 0.00 63.50 63.31 1iq3 n PRO 13 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1iq3 n PRO 13 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1iq3 n TRP 14 N -1.05 0.00 -1.34 0.54 5.03 -1.26 -4.89 117.44 114.47 1iq3 n TRP 14 Ca 0.13 0.00 -0.41 0.00 3.03 0.00 0.00 57.50 60.25 1iq3 n TRP 14 Cb 0.08 -2.97 0.00 0.00 -1.03 0.00 0.00 31.31 27.39 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 -2.34 0.15 0.00 -0.99 0.00 -1.26 -4.91 116.66 107.31 1iq3 n ARG 15 Ca -0.17 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.74 1iq3 n ARG 15 Cb 0.58 -1.15 0.00 0.00 0.00 0.00 0.00 32.46 31.88 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 -1.06 0.00 -2.67 5.15 0.13 -1.26 -5.06 119.36 114.59 1iq3 n ILE 16 Ca 0.11 0.00 -0.03 0.00 -1.10 0.00 0.00 62.75 61.73 1iq3 n ILE 16 Cb 0.41 0.00 0.04 0.00 -0.84 0.00 0.00 39.64 39.25 1iq3 n ILE 16 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 1iq3 n THR 17 N 0.00 0.00 -1.14 9.51 5.66 -1.26 -4.92 114.28 122.13 1iq3 n THR 17 Ca 0.00 -0.19 -0.06 0.00 -3.05 0.00 0.00 64.05 60.75 1iq3 n THR 17 Cb 0.00 0.61 -0.03 0.00 -1.55 0.00 0.00 70.33 69.37 1iq3 n THR 17 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1iq3 n GLU 18 N 2.50 -1.83 -0.02 1.09 1.02 -1.26 -4.75 120.64 117.39 1iq3 n GLU 18 Ca 0.11 0.68 -0.01 0.00 -0.02 0.00 0.00 57.16 57.92 1iq3 n GLU 18 Cb 0.66 -5.08 -0.13 0.00 -0.02 0.00 0.00 31.44 26.87 1iq3 n GLU 18 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1iq3 n GLU 19 N -0.02 0.65 0.00 3.49 -0.58 -1.26 -4.21 120.64 118.71 1iq3 n GLU 19 Ca -0.06 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1iq3 n GLU 19 Cb 0.53 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1iq3 n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iq3 n GLN 20 N -2.71 3.38 0.16 3.49 10.64 -1.26 -4.65 117.38 126.44 1iq3 n GLN 20 Ca -0.16 0.00 0.04 0.00 -1.83 0.00 0.00 57.00 55.05 1iq3 n GLN 20 Cb 0.89 -0.97 0.44 0.00 -0.86 0.00 0.00 30.24 29.74 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 0.13 -0.08 2.61 2.43 -1.94 -0.46 114.38 117.06 1iq3 h ARG 21 Ca 0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1iq3 h ARG 21 Cb 0.93 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1iq3 h ARG 21 CO 0.00 0.29 0.02 0.93 -1.51 0.00 0.00 179.97 179.71 1iq3 h GLU 22 N 0.12 0.13 0.00 0.20 4.39 -1.83 -1.20 114.58 116.40 1iq3 h GLU 22 Ca 0.02 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1iq3 h GLU 22 Cb 0.36 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1iq3 h GLU 22 CO 0.02 0.30 -0.21 -0.92 -1.16 0.00 0.00 179.01 177.05 1iq3 h TYR 23 N -0.06 0.00 -0.09 4.33 3.20 -1.76 -1.90 116.97 120.69 1iq3 h TYR 23 Ca 0.03 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.71 1iq3 h TYR 23 Cb 0.23 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 1iq3 h TYR 23 CO 0.00 0.21 -0.73 1.88 -1.64 0.00 0.00 178.16 177.88 1iq3 h TYR 24 N 0.00 0.63 0.08 -3.82 0.05 -0.71 -3.15 116.97 110.06 1iq3 h TYR 24 Ca -0.00 -0.28 -0.27 0.00 0.05 0.00 0.00 58.73 58.24 1iq3 h TYR 24 Cb 0.76 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 1iq3 h TYR 24 CO 0.00 1.04 -1.27 0.28 -1.05 0.00 0.00 178.16 177.16 1iq3 h VAL 25 N 0.32 1.44 -0.01 -2.88 2.07 -1.06 -3.08 116.25 113.04 1iq3 h VAL 25 Ca -0.03 -3.08 0.00 0.00 0.82 0.00 0.00 66.70 64.41 1iq3 h VAL 25 Cb 1.31 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 33.92 1iq3 h VAL 25 CO 0.13 0.87 0.01 -1.13 0.02 0.00 0.00 177.57 177.47 1iq3 h ASN 26 N 0.05 0.00 0.00 0.57 -1.24 -1.36 0.53 115.58 114.12 1iq3 h ASN 26 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.88 1iq3 h ASN 26 Cb 1.93 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.98 1iq3 h ASN 26 CO 0.17 0.00 -0.17 -0.61 -1.29 0.00 0.00 177.43 175.53 1iq3 h GLN 27 N 0.00 0.00 -0.00 6.67 5.75 -1.59 -2.97 115.11 122.96 1iq3 h GLN 27 Ca 0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1iq3 h GLN 27 Cb 0.03 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 1iq3 h GLN 27 CO -0.00 0.00 0.35 0.35 -2.65 0.00 0.00 178.83 176.88 1iq3 h PHE 28 N -0.87 0.00 0.22 3.99 3.04 -1.49 0.12 116.94 121.95 1iq3 h PHE 28 Ca 0.00 0.00 -0.33 0.00 3.98 0.00 0.00 57.97 61.62 1iq3 h PHE 28 Cb 0.17 0.00 0.03 0.00 2.56 0.00 0.00 35.95 38.70 1iq3 h PHE 28 CO -0.07 0.00 -1.52 -0.09 -2.02 0.00 0.00 178.31 174.61 1iq3 h ARG 29 N 0.00 0.46 -1.54 1.11 2.43 -0.98 -1.44 114.38 114.42 1iq3 h ARG 29 Ca 0.00 -0.78 0.45 0.00 -0.81 0.00 0.00 59.98 58.84 1iq3 h ARG 29 Cb 0.70 0.29 -0.08 0.00 -0.42 0.00 0.00 29.97 30.46 1iq3 h ARG 29 CO -0.00 1.37 1.09 1.03 -1.51 0.00 0.00 179.97 181.95 1iq3 h SER 30 N 0.13 0.06 0.00 -3.80 0.87 -0.59 0.24 113.55 110.47 1iq3 h SER 30 Ca -0.26 0.03 -0.30 0.00 -1.23 0.00 0.00 61.79 60.03 1iq3 h SER 30 Cb 2.12 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 64.05 1iq3 h SER 30 CO 0.24 -0.03 -2.12 0.18 -0.53 0.00 0.00 176.83 174.57 1iq3 n LEU 31 N -4.18 0.18 -4.41 2.23 4.32 -1.23 -4.83 117.00 109.08 1iq3 n LEU 31 Ca 0.36 -0.01 -0.44 0.00 -0.02 0.00 0.00 56.01 55.90 1iq3 n LEU 31 Cb 1.59 0.33 -0.05 0.00 -1.62 0.00 0.00 43.42 43.67 1iq3 n LEU 31 CO 0.38 0.43 0.36 -1.58 -1.22 0.00 0.00 177.39 175.76 1iq3 s GLN 32 N -2.39 3.08 0.26 3.23 2.00 0.86 -4.91 119.66 121.79 1iq3 s GLN 32 Ca -0.09 -1.13 -0.02 0.00 -2.00 0.00 0.00 55.36 52.11 1iq3 s GLN 32 Cb 0.05 -4.18 0.41 0.00 0.80 0.00 0.00 33.01 30.08 1iq3 s GLN 32 CO 0.65 -1.37 1.88 -1.00 -0.50 0.00 0.00 175.29 174.95 1iq3 h PRO 33 N 9.08 1.13 -7.14 1.67 0.13 -1.88 -3.41 132.00 131.57 1iq3 h PRO 33 Ca -0.29 -0.07 -0.52 0.00 -0.87 0.00 0.00 66.00 64.26 1iq3 h PRO 33 Cb 1.09 -0.25 0.11 0.00 0.13 0.00 0.00 31.00 32.08 1iq3 h PRO 33 CO 1.03 0.75 0.42 -0.51 -0.23 0.00 0.00 178.00 179.45 1iq3 s ASP 34 N -5.89 5.09 0.14 1.44 1.11 -1.26 -4.92 116.67 112.39 1iq3 s ASP 34 Ca -0.12 2.21 -0.21 0.00 0.18 0.00 0.00 52.55 54.60 1iq3 s ASP 34 Cb 0.20 -2.58 0.02 0.00 1.07 0.00 0.00 42.92 41.63 1iq3 s ASP 34 CO 0.81 -1.65 1.66 -0.65 1.18 0.00 0.00 175.17 176.52 1iq3 h PRO 35 N 0.46 -0.15 0.00 8.23 0.11 -1.99 -3.42 132.00 135.22 1iq3 h PRO 35 Ca -0.49 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1iq3 h PRO 35 Cb 1.27 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1iq3 h PRO 35 CO 0.54 -0.10 0.00 0.43 -0.21 0.00 0.00 178.00 178.66 1iq3 n SER 36 N -5.32 0.00 0.00 -2.05 7.64 -1.26 -4.94 113.62 107.69 1iq3 n SER 36 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1iq3 n SER 36 Cb 0.23 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1iq3 n SER 36 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1iq3 n SER 37 N -0.87 -0.48 -3.92 6.43 2.88 -1.26 -4.34 113.62 112.06 1iq3 n SER 37 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1iq3 n SER 37 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 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 0.11 0.40 0.66 -0.71 -1.26 -1.04 117.98 116.14 1iq3 s PHE 38 Ca 0.00 -0.21 -0.01 0.00 -1.04 0.00 0.00 56.93 55.66 1iq3 s PHE 38 Cb 0.00 -0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.70 1iq3 s PHE 38 CO 0.00 -0.10 0.64 0.42 -1.34 0.00 0.00 175.22 174.84 1iq3 s ILE 39 N -0.70 4.95 0.91 -4.49 1.01 -0.94 -4.84 121.20 117.10 1iq3 s ILE 39 Ca -0.08 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.17 1iq3 s ILE 39 Cb -0.05 -3.83 0.22 0.00 0.01 0.00 0.00 42.46 38.81 1iq3 s ILE 39 CO -0.00 -0.64 0.95 -1.20 0.00 0.00 0.00 174.94 174.05 1iq3 n SER 40 N -1.97 -1.11 -0.11 3.58 7.64 -1.26 -1.50 113.62 118.89 1iq3 n SER 40 Ca -0.03 -1.17 -0.25 0.00 1.01 0.00 0.00 58.87 58.43 1iq3 n SER 40 Cb 0.56 -0.81 -0.11 0.00 -1.01 0.00 0.00 64.21 62.84 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 -2.81 -0.61 0.22 0.23 0.00 0.30 -3.56 105.19 98.96 1iq3 n GLY 41 Ca 0.13 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1iq3 n GLY 41 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iq3 h SER 42 N -0.81 0.00 -0.07 1.61 4.64 -1.96 -1.38 113.55 115.59 1iq3 h SER 42 Ca -0.52 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.67 1iq3 h SER 42 Cb 1.56 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.65 1iq3 h SER 42 CO -0.26 0.24 -0.46 0.58 -0.87 0.00 0.00 176.83 176.06 1iq3 h VAL 43 N 0.00 1.40 -0.00 0.95 2.07 -1.94 -2.62 116.25 116.10 1iq3 h VAL 43 Ca -0.00 -1.84 -0.19 0.00 0.82 0.00 0.00 66.70 65.49 1iq3 h VAL 43 Cb 0.78 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1iq3 h VAL 43 CO 0.03 0.54 -0.85 0.00 0.02 0.00 0.00 177.57 177.31 1iq3 h ALA 44 N 0.43 0.56 0.00 1.67 0.00 -1.59 -2.91 119.26 117.42 1iq3 h ALA 44 Ca -0.04 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1iq3 h ALA 44 Cb 1.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1iq3 h ALA 44 CO 0.09 0.91 0.00 1.63 0.00 0.00 0.00 179.25 181.89 1iq3 n LYS 45 N -3.66 0.01 -0.02 0.00 5.02 -0.53 -1.22 118.16 117.76 1iq3 n LYS 45 Ca -0.03 0.15 -0.11 0.00 -2.02 0.00 0.00 58.31 56.31 1iq3 n LYS 45 Cb 0.79 -1.51 -0.09 0.00 -0.02 0.00 0.00 35.03 34.20 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 -0.06 0.80 4.39 -1.24 -1.25 -3.37 115.58 114.86 1iq3 h ASN 46 Ca 0.00 -0.58 -0.17 0.00 0.71 0.00 0.00 56.30 56.27 1iq3 h ASN 46 Cb 0.36 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.40 1iq3 h ASN 46 CO 0.00 0.66 -1.30 2.19 -1.29 0.00 0.00 177.43 177.69 1iq3 h PHE 47 N -0.90 0.00 -1.22 0.67 -5.15 -1.63 -3.34 116.94 105.37 1iq3 h PHE 47 Ca -0.01 0.00 0.35 0.00 -0.20 0.00 0.00 57.97 58.12 1iq3 h PHE 47 Cb 0.63 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 36.75 1iq3 h PHE 47 CO 0.15 0.61 1.19 0.74 -2.00 0.00 0.00 178.31 179.00 1iq3 h PHE 48 N 0.00 0.00 -0.62 6.09 -1.00 -1.32 -3.26 116.94 116.82 1iq3 h PHE 48 Ca -0.14 0.00 -0.39 0.00 2.81 0.00 0.00 57.97 60.25 1iq3 h PHE 48 Cb 1.59 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 41.10 1iq3 h PHE 48 CO 0.00 0.00 1.18 -0.08 -1.61 0.00 0.00 178.31 177.80 1iq3 s THR 49 N -4.58 3.63 -0.42 -1.55 -1.32 -1.25 -4.52 115.64 105.62 1iq3 s THR 49 Ca -0.03 -0.93 0.08 0.00 -1.21 0.00 0.00 61.69 59.59 1iq3 s THR 49 Cb 0.18 -4.56 0.36 0.00 -1.51 0.00 0.00 72.50 66.97 1iq3 s THR 49 CO 0.60 -1.19 1.26 2.29 -2.21 0.00 0.00 174.62 175.37 1iq3 n LYS 50 N 8.46 1.13 0.00 7.08 2.85 -1.23 -4.98 118.16 131.47 1iq3 n LYS 50 Ca 0.44 -1.89 0.00 0.00 -1.05 0.00 0.00 58.31 55.80 1iq3 n LYS 50 Cb 0.47 -0.45 0.00 0.00 -0.65 0.00 0.00 35.03 34.40 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 -0.21 0.00 0.19 -5.58 2.88 -1.26 -4.92 113.62 104.71 1iq3 n SER 51 Ca 0.01 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.65 1iq3 n SER 51 Cb 0.79 0.15 0.56 0.00 -0.75 0.00 0.00 64.21 64.96 1iq3 n SER 51 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1iq3 h LYS 52 N 0.00 0.00 -4.92 -1.46 -0.00 -1.91 -3.44 116.57 104.84 1iq3 h LYS 52 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1iq3 h LYS 52 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 32.17 1iq3 h LYS 52 CO 0.00 0.00 -1.16 1.28 -0.00 0.00 0.00 179.45 179.57 1iq3 n LEU 53 N -2.27 -5.91 -0.89 7.07 4.77 -1.26 -4.81 117.00 113.70 1iq3 n LEU 53 Ca -0.01 2.40 0.12 0.00 -0.03 0.00 0.00 56.01 58.48 1iq3 n LEU 53 Cb 0.17 -3.07 -0.03 0.00 -2.33 0.00 0.00 43.42 38.16 1iq3 n LEU 53 CO 0.09 -3.40 -0.17 -0.24 -1.33 0.00 0.00 177.39 172.34 1iq3 n SER 54 N 1.86 -5.24 -2.94 -1.43 2.88 -1.26 -4.92 113.62 102.56 1iq3 n SER 54 Ca -0.20 0.36 -0.01 0.00 -1.33 0.00 0.00 58.87 57.69 1iq3 n SER 54 Cb 0.31 -2.89 -0.01 0.00 -0.75 0.00 0.00 64.21 60.87 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 -2.81 -6.03 -1.59 2.46 5.41 -1.26 -4.60 119.36 110.94 1iq3 n ILE 55 Ca 0.00 1.11 -0.22 0.00 1.00 0.00 0.00 62.75 64.64 1iq3 n ILE 55 Cb 0.60 -4.39 -0.05 0.00 -0.71 0.00 0.00 39.64 35.09 1iq3 n ILE 55 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1iq3 s PRO 56 N -0.76 1.82 -0.30 0.38 0.02 -1.26 -4.74 135.00 130.16 1iq3 s PRO 56 Ca -0.06 0.79 0.10 0.00 0.02 0.00 0.00 61.00 61.85 1iq3 s PRO 56 Cb 0.00 -4.72 0.59 0.00 0.02 0.00 0.00 34.50 30.40 1iq3 s PRO 56 CO 0.33 -3.98 1.60 -1.91 -0.33 0.00 0.00 177.00 172.71 1iq3 n GLU 57 N 8.90 2.54 0.00 5.54 4.07 -1.26 -4.53 120.64 135.90 1iq3 n GLU 57 Ca 0.43 -3.06 0.12 0.00 -0.06 0.00 0.00 57.16 54.58 1iq3 n GLU 57 Cb 0.48 -1.96 0.69 0.00 -0.06 0.00 0.00 31.44 30.58 1iq3 n GLU 57 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1iq3 n LEU 58 N -0.79 0.00 -0.22 4.31 4.77 -1.26 -3.65 117.00 120.15 1iq3 n LEU 58 Ca 0.36 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.26 1iq3 n LEU 58 Cb 1.18 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.30 1iq3 n LEU 58 CO 0.30 0.00 0.92 -1.28 -1.33 0.00 0.00 177.39 176.00 1iq3 h SER 59 N 0.00 0.97 0.91 -1.43 0.87 -1.99 -1.84 113.55 111.03 1iq3 h SER 59 Ca 0.00 -0.24 -0.20 0.00 -1.23 0.00 0.00 61.79 60.12 1iq3 h SER 59 Cb 0.00 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 1iq3 h SER 59 CO 0.00 0.96 -1.16 0.10 -0.53 0.00 0.00 176.83 176.19 1iq3 h TYR 60 N 0.93 0.00 -0.46 2.24 -0.00 -1.96 -2.59 116.97 115.13 1iq3 h TYR 60 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.88 1iq3 h TYR 60 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.09 1iq3 h TYR 60 CO 0.03 0.82 0.12 0.82 -0.00 0.00 0.00 178.16 179.95 1iq3 h ILE 61 N 0.00 1.23 0.11 -0.90 1.08 -1.66 -2.88 117.51 114.49 1iq3 h ILE 61 Ca -0.11 -0.80 -0.27 0.00 -0.39 0.00 0.00 64.86 63.29 1iq3 h ILE 61 Cb 1.72 0.87 0.03 0.00 -3.07 0.00 0.00 36.82 36.37 1iq3 h ILE 61 CO 0.09 0.29 -1.14 -0.25 -0.69 0.00 0.00 178.15 176.45 1iq3 h TRP 62 N 0.62 0.93 -1.03 1.37 2.91 -1.44 -2.71 115.95 116.59 1iq3 h TRP 62 Ca 0.15 -0.58 0.29 0.00 1.13 0.00 0.00 58.89 59.87 1iq3 h TRP 62 Cb 0.31 -0.07 -0.05 0.00 -0.51 0.00 0.00 29.16 28.83 1iq3 h TRP 62 CO 0.02 1.43 0.73 0.93 -1.03 0.00 0.00 178.44 180.52 1iq3 h GLU 63 N 0.16 0.06 0.01 2.65 5.08 -1.41 0.22 114.58 121.35 1iq3 h GLU 63 Ca -0.17 -0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.89 1iq3 h GLU 63 Cb 1.83 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 31.02 1iq3 h GLU 63 CO 0.22 0.04 -1.71 -0.07 -1.00 0.00 0.00 179.01 176.49 1iq3 h LEU 64 N 0.06 0.02 0.72 1.33 3.38 -1.51 -3.39 115.31 115.93 1iq3 h LEU 64 Ca 0.50 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.39 1iq3 h LEU 64 Cb 1.89 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.64 1iq3 h LEU 64 CO -0.05 1.04 -0.35 -1.28 0.09 0.00 0.00 178.44 177.90 1iq3 h SER 65 N 0.00 -0.82 -4.05 -0.43 0.87 -0.26 -3.43 113.55 105.43 1iq3 h SER 65 Ca -0.29 0.03 -0.52 0.00 -1.23 0.00 0.00 61.79 59.79 1iq3 h SER 65 Cb 2.01 0.21 0.08 0.00 -0.44 0.00 0.00 62.40 64.27 1iq3 h SER 65 CO 0.08 -0.49 0.48 -0.62 -0.53 0.00 0.00 176.83 175.76 1iq3 s ASP 66 N -4.12 5.76 -0.07 6.23 2.15 -0.63 -4.95 116.67 121.03 1iq3 s ASP 66 Ca -0.14 2.35 0.19 0.00 0.43 0.00 0.00 52.55 55.38 1iq3 s ASP 66 Cb 0.01 -2.60 0.36 0.00 -0.30 0.00 0.00 42.92 40.39 1iq3 s ASP 66 CO 0.42 -1.20 1.15 0.00 -0.17 0.00 0.00 175.17 175.37 1iq3 n ALA 67 N -0.97 2.72 -1.58 3.66 0.00 -1.26 -4.86 120.51 118.21 1iq3 n ALA 67 Ca 0.10 -2.00 -0.02 0.00 0.00 0.00 0.00 53.44 51.52 1iq3 n ALA 67 Cb 0.49 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 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 0.05 -0.25 -2.69 0.00 5.68 -1.26 -4.96 116.55 113.11 1iq3 n ASP 68 Ca -0.02 -0.59 -0.09 0.00 -0.50 0.00 0.00 54.79 53.59 1iq3 n ASP 68 Cb 0.97 0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 41.01 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 -1.47 0.66 -1.88 0.00 5.75 -1.26 -4.89 116.55 113.45 1iq3 n ASP 70 Ca 0.02 -0.94 -0.16 0.00 -0.01 0.00 0.00 54.79 53.71 1iq3 n ASP 70 Cb 0.42 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.45 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 1.19 0.64 3.26 6.12 0.00 -1.26 -4.91 105.19 110.23 1iq3 n GLY 71 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.55 -0.47 -0.26 4.61 0.00 -1.26 0.11 121.76 121.93 1iq3 s ALA 72 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 1iq3 s ALA 72 Cb 0.00 0.59 0.13 0.00 0.00 0.00 0.00 23.12 23.85 1iq3 s ALA 72 CO 0.00 -0.57 0.34 -0.51 0.00 0.00 0.00 175.76 175.02 1iq3 s LEU 73 N -2.85 -0.50 1.08 0.00 1.02 -0.56 -4.87 118.68 112.00 1iq3 s LEU 73 Ca 0.05 -0.21 -0.22 0.00 0.02 0.00 0.00 54.13 53.77 1iq3 s LEU 73 Cb 0.04 0.86 0.00 0.00 0.02 0.00 0.00 46.19 47.11 1iq3 s LEU 73 CO -0.10 -0.34 -0.54 0.35 0.02 0.00 0.00 176.35 175.74 1iq3 n THR 74 N 5.34 0.00 -0.23 5.49 -2.24 -1.26 -2.22 114.28 119.16 1iq3 n THR 74 Ca -0.03 -0.19 -0.02 0.00 -2.27 0.00 0.00 64.05 61.54 1iq3 n THR 74 Cb 0.49 -0.39 0.09 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.59 -2.00 3.22 5.85 -1.28 0.11 115.31 120.08 1iq3 h LEU 75 Ca -0.48 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.36 1iq3 h LEU 75 Cb 1.37 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1iq3 h LEU 75 CO 0.32 0.40 0.26 -0.65 -0.34 0.00 0.00 178.44 178.43 1iq3 h PRO 76 N 0.73 0.00 -0.00 5.25 0.11 -1.87 0.32 132.00 136.54 1iq3 h PRO 76 Ca 0.29 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.18 1iq3 h PRO 76 Cb 0.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 1iq3 h PRO 76 CO -0.15 0.00 -0.91 0.93 -0.21 0.00 0.00 178.00 177.66 1iq3 h GLU 77 N 0.00 0.33 0.00 1.05 5.08 -1.06 -3.11 114.58 116.87 1iq3 h GLU 77 Ca 0.17 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 1iq3 h GLU 77 Cb 0.70 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1iq3 h GLU 77 CO -0.00 1.04 -0.28 0.35 -1.00 0.00 0.00 179.01 179.12 1iq3 h PHE 78 N 0.19 0.00 -0.79 4.33 3.04 -0.20 -2.99 116.94 120.51 1iq3 h PHE 78 Ca -0.06 0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.05 1iq3 h PHE 78 Cb 1.54 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.99 1iq3 h PHE 78 CO 0.05 0.28 0.53 0.00 -2.02 0.00 0.00 178.31 177.15 1iq3 n ALA 80 N -2.52 1.53 0.17 0.00 0.00 -1.14 -3.78 120.51 114.76 1iq3 n ALA 80 Ca 0.15 -0.85 -0.14 0.00 0.00 0.00 0.00 53.44 52.60 1iq3 n ALA 80 Cb 0.57 -0.74 -0.07 0.00 0.00 0.00 0.00 19.45 19.22 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 1.03 -0.66 -0.46 0.00 0.00 -1.12 -1.87 119.26 116.18 1iq3 h ALA 81 Ca -0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1iq3 h ALA 81 Cb 2.02 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 20.31 1iq3 h ALA 81 CO 0.07 -0.92 0.22 0.35 0.00 0.00 0.00 179.25 178.97 1iq3 h PHE 82 N -0.64 0.63 -0.65 0.00 3.57 -1.65 -1.67 116.94 116.52 1iq3 h PHE 82 Ca 0.00 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.66 1iq3 h PHE 82 Cb 0.62 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 1iq3 h PHE 82 CO -0.24 0.46 0.45 0.45 -2.23 0.00 0.00 178.31 177.20 1iq3 h HIS 83 N 0.64 0.15 0.04 0.41 3.86 -1.44 0.14 115.15 118.95 1iq3 h HIS 83 Ca 0.16 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.13 1iq3 h HIS 83 Cb 0.07 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1iq3 h HIS 83 CO 0.00 0.06 -1.26 -0.07 0.86 0.00 0.00 177.93 177.52 1iq3 h LEU 84 N 0.13 0.14 -0.51 2.43 3.38 -0.98 -3.28 115.31 116.61 1iq3 h LEU 84 Ca 0.31 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1iq3 h LEU 84 Cb 1.06 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1iq3 h LEU 84 CO -0.04 1.14 -0.01 0.40 0.09 0.00 0.00 178.44 180.02 1iq3 h ILE 85 N 0.02 1.26 -0.08 1.22 5.03 -0.83 -2.71 117.51 121.43 1iq3 h ILE 85 Ca -0.12 -1.10 -0.02 0.00 -0.12 0.00 0.00 64.86 63.50 1iq3 h ILE 85 Cb 1.89 0.95 -0.01 0.00 -3.03 0.00 0.00 36.82 36.63 1iq3 h ILE 85 CO 0.14 0.39 -0.06 0.58 -0.68 0.00 0.00 178.15 178.51 1iq3 h VAL 86 N 0.78 1.10 -0.68 1.67 2.07 -1.45 -2.06 116.25 117.68 1iq3 h VAL 86 Ca 0.14 -0.42 0.20 0.00 0.82 0.00 0.00 66.70 67.45 1iq3 h VAL 86 Cb 0.53 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1iq3 h VAL 86 CO 0.03 0.13 0.57 0.00 0.02 0.00 0.00 177.57 178.31 1iq3 h ALA 87 N 1.83 2.53 0.02 1.67 0.00 -1.54 0.30 119.26 124.08 1iq3 h ALA 87 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1iq3 h ALA 87 Cb 0.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1iq3 h ALA 87 CO 0.01 -0.92 -0.01 -0.09 0.00 0.00 0.00 179.25 178.24 1iq3 h ARG 88 N 0.00 -0.03 0.00 0.00 9.65 -1.50 -2.02 114.38 120.48 1iq3 h ARG 88 Ca 0.32 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.20 1iq3 h ARG 88 Cb 1.45 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.04 1iq3 h ARG 88 CO -0.00 0.62 0.00 1.63 2.80 0.00 0.00 179.97 185.02 1iq3 n LYS 89 N -4.71 0.48 -0.08 0.20 4.76 -0.72 -2.82 118.16 115.28 1iq3 n LYS 89 Ca -0.07 0.05 -0.10 0.00 -2.87 0.00 0.00 58.31 55.31 1iq3 n LYS 89 Cb 0.32 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.86 1iq3 n LYS 89 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1iq3 n ASN 90 N -1.15 0.29 0.00 4.39 2.85 0.98 -5.00 115.26 117.62 1iq3 n ASN 90 Ca 0.13 0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 1iq3 n ASN 90 Cb 0.12 0.69 0.00 0.00 1.24 0.00 0.00 39.78 41.84 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 1.73 1.59 3.71 8.20 0.00 -1.03 -5.06 105.19 114.32 1iq3 n GLY 91 Ca -0.30 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 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 3.47 1.08 1.61 2.02 -0.79 -5.05 117.35 117.68 1iq3 s TYR 92 Ca 0.00 0.81 -0.14 0.00 -0.37 0.00 0.00 57.07 57.37 1iq3 s TYR 92 Cb 0.00 -2.55 0.18 0.00 -0.40 0.00 0.00 41.96 39.19 1iq3 s TYR 92 CO 0.00 0.11 0.69 -2.30 -1.57 0.00 0.00 175.55 172.48 1iq3 n PRO 93 N 3.94 -1.53 -3.29 -1.71 -0.02 -1.26 -4.79 135.00 126.35 1iq3 n PRO 93 Ca -0.07 -0.41 -0.44 0.00 -2.02 0.00 0.00 63.50 60.55 1iq3 n PRO 93 Cb 0.51 -2.04 -0.07 0.00 -0.02 0.00 0.00 33.50 31.88 1iq3 n PRO 93 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1iq3 s LEU 94 N -4.66 5.42 -0.04 2.45 2.01 -1.26 -4.94 118.68 117.66 1iq3 s LEU 94 Ca 0.63 -1.22 -0.17 0.00 0.01 0.00 0.00 54.13 53.39 1iq3 s LEU 94 Cb -0.21 -2.28 -0.10 0.00 0.01 0.00 0.00 46.19 43.61 1iq3 s LEU 94 CO 0.64 -0.77 0.70 1.55 1.01 0.00 0.00 176.35 179.48 1iq3 h PRO 95 N 8.87 -0.46 0.00 1.29 0.13 -2.05 -3.49 132.00 136.30 1iq3 h PRO 95 Ca -0.28 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1iq3 h PRO 95 Cb 1.10 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1iq3 h PRO 95 CO 0.93 -0.22 0.00 0.39 -0.23 0.00 0.00 178.00 178.87 1iq3 n GLU 96 N -5.09 1.06 0.00 0.86 1.02 -1.26 -5.02 120.64 112.20 1iq3 n GLU 96 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1iq3 n GLU 96 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.65 1iq3 n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iq3 n GLY 97 N 1.32 1.73 3.33 0.62 0.00 -1.26 -5.13 105.19 105.81 1iq3 n GLY 97 Ca 0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 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 2.50 0.17 0.99 2.34 -1.26 -4.91 118.68 118.52 1iq3 s LEU 98 Ca 0.00 -1.06 -0.15 0.00 0.06 0.00 0.00 54.13 52.98 1iq3 s LEU 98 Cb 0.00 -0.53 0.11 0.00 -0.56 0.00 0.00 46.19 45.21 1iq3 s LEU 98 CO 0.00 -0.27 1.74 -0.65 -1.06 0.00 0.00 176.35 176.11 1iq3 h PRO 99 N 2.58 0.27 0.00 1.48 0.11 -2.04 -3.42 132.00 130.97 1iq3 h PRO 99 Ca -0.38 -0.02 -0.39 0.00 0.11 0.00 0.00 66.00 65.32 1iq3 h PRO 99 Cb 1.21 -0.06 0.20 0.00 0.11 0.00 0.00 31.00 32.46 1iq3 h PRO 99 CO 0.63 0.18 0.10 -2.30 -0.21 0.00 0.00 178.00 176.40 1iq3 n PRO 100 N -5.04 -3.24 0.00 1.05 -0.02 -1.26 -5.05 135.00 121.43 1iq3 n PRO 100 Ca 0.03 -1.73 0.00 0.00 -2.02 0.00 0.00 63.50 59.78 1iq3 n PRO 100 Cb 0.17 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1iq3 n PRO 100 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1iq3 n THR 101 N -4.92 0.00 0.02 3.45 5.66 -1.26 -4.90 114.28 112.34 1iq3 n THR 101 Ca 0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 1iq3 n THR 101 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1iq3 n THR 101 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1iq3 n LEU 102 N 0.00 -0.45 -2.70 1.09 -0.00 -1.26 -5.05 117.00 108.63 1iq3 n LEU 102 Ca 0.00 0.11 -0.07 0.00 -0.00 0.00 0.00 56.01 56.05 1iq3 n LEU 102 Cb 0.00 0.77 0.09 0.00 -0.00 0.00 0.00 43.42 44.28 1iq3 n LEU 102 CO 0.00 -0.31 0.49 0.00 -0.00 0.00 0.00 177.39 177.57 1iq3 n GLN 103 N -2.43 0.75 0.00 1.47 10.64 -1.26 -4.95 117.38 121.59 1iq3 n GLN 103 Ca 0.00 -1.50 0.05 0.00 -1.83 0.00 0.00 57.00 53.72 1iq3 n GLN 103 Cb 0.00 -0.62 0.24 0.00 -0.86 0.00 0.00 30.24 29.00 1iq3 n GLN 103 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 1iq3 n PRO 104 N 0.25 0.06 0.00 2.61 -0.02 -1.26 -2.34 135.00 134.29 1iq3 n PRO 104 Ca -0.00 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1iq3 n PRO 104 Cb 0.73 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 1iq3 n PRO 104 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1iq3 n GLU 105 N -1.42 0.01 -2.52 -0.52 4.07 -1.26 -4.80 120.64 114.20 1iq3 n GLU 105 Ca 0.03 -0.23 -0.19 0.00 -0.06 0.00 0.00 57.16 56.72 1iq3 n GLU 105 Cb 0.11 -0.70 0.02 0.00 -0.06 0.00 0.00 31.44 30.81 1iq3 n GLU 105 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1iq3 n PHE 106 N -0.07 2.42 -0.00 4.31 7.35 -0.99 -4.95 117.46 125.53 1iq3 n PHE 106 Ca 0.00 -2.84 -0.00 0.00 -0.76 0.00 0.00 57.45 53.85 1iq3 n PHE 106 Cb 0.10 -0.22 -0.00 0.00 0.35 0.00 0.00 39.48 39.71 1iq3 n PHE 106 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1iq3 h ILE 107 N 2.91 0.00 -1.53 -2.13 2.04 -1.86 -3.33 117.51 113.62 1iq3 h ILE 107 Ca 0.14 0.00 -0.52 0.00 1.00 0.00 0.00 64.86 65.48 1iq3 h ILE 107 Cb 1.10 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1iq3 h ILE 107 CO 0.67 0.00 1.59 0.55 0.00 0.00 0.00 178.15 180.96 1iq3 n VAL 108 N -2.89 0.05 -0.02 1.67 3.14 -1.26 -4.76 118.33 114.26 1iq3 n VAL 108 Ca -0.00 -0.61 -0.08 0.00 -2.96 0.00 0.00 64.34 60.69 1iq3 n VAL 108 Cb 0.00 -2.47 -0.14 0.00 -1.06 0.00 0.00 33.84 30.17 1iq3 n VAL 108 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1iq3 n THR 109 N 7.84 1.59 -0.13 1.55 -1.04 -1.25 -5.20 114.28 117.63 1iq3 n THR 109 Ca 0.38 -0.79 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 1iq3 n THR 109 Cb 0.46 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.94 1iq3 n THR 109 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90