#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 6.86 0.00 1.61 1.04 -1.26 -4.84 113.70 117.11 1iq3 s SER 2 Ca 0.00 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.39 1iq3 s SER 2 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1iq3 s SER 2 CO 0.00 -0.77 0.12 0.18 0.98 0.00 0.00 173.24 173.75 1iq3 n LEU 3 N 6.26 0.25 -0.02 2.42 4.32 -1.26 -4.71 117.00 124.26 1iq3 n LEU 3 Ca 0.14 -0.49 0.05 0.00 -0.02 0.00 0.00 56.01 55.69 1iq3 n LEU 3 Cb 0.44 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.13 1iq3 n LEU 3 CO 0.58 0.06 -0.72 0.00 -1.22 0.00 0.00 177.39 176.09 1iq3 n GLN 4 N -0.49 0.69 -1.59 3.23 6.02 -1.26 -5.00 117.38 118.99 1iq3 n GLN 4 Ca 0.00 -0.11 -0.29 0.00 -0.01 0.00 0.00 57.00 56.59 1iq3 n GLN 4 Cb 0.02 -1.35 0.12 0.00 1.02 0.00 0.00 30.24 30.05 1iq3 n GLN 4 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1iq3 s ASP 5 N -3.86 3.89 -0.30 1.08 1.11 -1.26 -5.08 116.67 112.25 1iq3 s ASP 5 Ca -0.06 1.03 -0.08 0.00 0.18 0.00 0.00 52.55 53.62 1iq3 s ASP 5 Cb 0.08 -1.64 0.15 0.00 1.07 0.00 0.00 42.92 42.59 1iq3 s ASP 5 CO 0.60 -2.32 0.66 0.54 1.18 0.00 0.00 175.17 175.83 1iq3 s ASN 6 N -4.07 -1.17 -0.30 0.27 4.22 -1.26 -5.07 114.94 107.56 1iq3 s ASN 6 Ca 0.63 1.31 0.04 0.00 -2.14 0.00 0.00 52.86 52.70 1iq3 s ASN 6 Cb -0.14 2.22 0.33 0.00 1.28 0.00 0.00 41.25 44.93 1iq3 s ASN 6 CO 0.53 -0.22 1.45 -0.24 -2.04 0.00 0.00 177.10 176.57 1iq3 n SER 7 N 5.42 -1.03 -3.02 3.54 2.88 -1.26 -5.11 113.62 115.04 1iq3 n SER 7 Ca -0.09 -1.55 0.01 0.00 -1.33 0.00 0.00 58.87 55.92 1iq3 n SER 7 Cb 0.50 1.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.95 1iq3 n SER 7 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1iq3 s SER 8 N -0.03 -1.01 -0.39 -3.46 0.01 -1.26 -5.06 113.70 102.51 1iq3 s SER 8 Ca 0.20 -0.49 0.05 0.00 1.31 0.00 0.00 55.95 57.02 1iq3 s SER 8 Cb 0.30 1.30 0.32 0.00 0.21 0.00 0.00 66.02 68.14 1iq3 s SER 8 CO -0.22 -0.11 1.25 0.00 0.41 0.00 0.00 173.24 174.57 1iq3 n TYR 9 N 4.13 -1.69 -0.24 2.43 0.18 -1.26 -5.13 117.16 115.58 1iq3 n TYR 9 Ca 0.09 -1.43 0.00 0.00 1.88 0.00 0.00 57.90 58.43 1iq3 n TYR 9 Cb 0.60 1.41 0.00 0.00 -0.38 0.00 0.00 39.34 40.96 1iq3 n TYR 9 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 1iq3 n PRO 10 N 0.50 -1.08 0.00 -3.48 -0.04 -1.26 -5.00 135.00 124.65 1iq3 n PRO 10 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1iq3 n PRO 10 Cb 0.72 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.18 1iq3 n PRO 10 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1iq3 n ASP 11 N -2.56 0.00 -0.47 3.54 8.00 -1.26 -5.14 116.55 118.65 1iq3 n ASP 11 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1iq3 n ASP 11 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1iq3 n ASP 11 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1iq3 n GLU 12 N 0.00 0.00 -0.97 -1.24 1.02 -1.26 -2.71 120.64 115.48 1iq3 n GLU 12 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1iq3 n GLU 12 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 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 -0.94 1.83 -0.22 3.49 -0.04 -1.26 -4.35 135.00 133.51 1iq3 n PRO 13 Ca 0.00 -1.08 0.06 0.00 -0.04 0.00 0.00 63.50 62.45 1iq3 n PRO 13 Cb 0.00 -1.77 0.18 0.00 -0.04 0.00 0.00 33.50 31.88 1iq3 n PRO 13 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1iq3 n TRP 14 N 1.77 0.58 -0.25 0.54 -0.00 -1.10 -4.92 117.44 114.07 1iq3 n TRP 14 Ca 0.33 -0.28 -0.03 0.00 -0.00 0.00 0.00 57.50 57.52 1iq3 n TRP 14 Cb 0.73 -0.02 0.03 0.00 -0.00 0.00 0.00 31.31 32.05 1iq3 n TRP 14 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 177.69 175.56 1iq3 n ARG 15 N 0.69 -1.83 0.00 5.87 0.63 -1.26 -5.03 116.66 115.74 1iq3 n ARG 15 Ca 0.14 -0.16 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1iq3 n ARG 15 Cb 0.37 -0.18 0.00 0.00 0.45 0.00 0.00 32.46 33.10 1iq3 n ARG 15 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1iq3 n ILE 16 N -3.05 0.00 -1.76 5.15 -0.00 -1.26 -4.89 119.36 113.55 1iq3 n ILE 16 Ca 0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.41 1iq3 n ILE 16 Cb 0.06 -1.42 0.00 0.00 -0.00 0.00 0.00 39.64 38.28 1iq3 n ILE 16 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1iq3 n THR 17 N -0.66 3.51 -2.00 7.28 -2.24 -1.26 -4.79 114.28 114.12 1iq3 n THR 17 Ca 0.00 -3.81 0.00 0.00 -2.27 0.00 0.00 64.05 57.97 1iq3 n THR 17 Cb 0.00 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 66.85 1iq3 n THR 17 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iq3 n GLU 18 N 0.00 -2.34 0.00 -0.78 0.28 -1.26 -4.54 120.64 112.00 1iq3 n GLU 18 Ca 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.52 1iq3 n GLU 18 Cb 0.35 -4.26 0.00 0.00 1.43 0.00 0.00 31.44 28.97 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 -1.99 2.76 -0.01 3.44 -0.58 -1.26 -4.63 120.64 118.37 1iq3 n GLU 19 Ca 0.00 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.77 1iq3 n GLU 19 Cb 0.34 -0.74 -0.06 0.00 -0.57 0.00 0.00 31.44 30.41 1iq3 n GLU 19 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1iq3 n GLN 20 N -1.11 0.60 0.19 3.49 6.02 -1.26 -4.46 117.38 120.85 1iq3 n GLN 20 Ca 0.00 -0.06 0.13 0.00 -0.01 0.00 0.00 57.00 57.07 1iq3 n GLN 20 Cb 0.00 -1.17 0.39 0.00 1.02 0.00 0.00 30.24 30.47 1iq3 n GLN 20 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1iq3 h ARG 21 N 0.00 0.00 -0.11 -1.09 2.43 -1.92 -3.11 114.38 110.58 1iq3 h ARG 21 Ca -0.03 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.92 1iq3 h ARG 21 Cb 0.49 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1iq3 h ARG 21 CO 0.00 0.00 -0.79 0.93 -1.51 0.00 0.00 179.97 178.60 1iq3 h GLU 22 N 0.00 0.73 -0.13 0.20 4.39 -1.82 -3.00 114.58 114.94 1iq3 h GLU 22 Ca 0.00 -0.64 -0.14 0.00 0.34 0.00 0.00 59.36 58.93 1iq3 h GLU 22 Cb 0.74 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1iq3 h GLU 22 CO 0.00 1.24 -0.51 -0.92 -1.16 0.00 0.00 179.01 177.66 1iq3 h TYR 23 N 0.42 0.45 0.43 4.33 3.20 -1.80 -1.90 116.97 122.10 1iq3 h TYR 23 Ca -0.07 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.63 1iq3 h TYR 23 Cb 1.43 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.62 1iq3 h TYR 23 CO 0.10 0.80 -0.20 1.88 -1.64 0.00 0.00 178.16 179.09 1iq3 h TYR 24 N 0.29 -0.53 -0.36 -3.82 0.05 -1.55 -2.72 116.97 108.33 1iq3 h TYR 24 Ca 0.01 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 1iq3 h TYR 24 Cb 0.99 0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.89 1iq3 h TYR 24 CO 0.03 -0.29 0.00 0.28 -1.05 0.00 0.00 178.16 177.13 1iq3 h VAL 25 N -0.65 1.20 -0.33 -2.88 2.07 -1.55 -1.92 116.25 112.20 1iq3 h VAL 25 Ca -0.06 -0.81 0.10 0.00 0.82 0.00 0.00 66.70 66.75 1iq3 h VAL 25 Cb 0.48 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1iq3 h VAL 25 CO 0.10 0.28 0.29 -1.13 0.02 0.00 0.00 177.57 177.12 1iq3 h ASN 26 N 0.54 0.00 0.09 0.57 -0.73 -1.05 -1.57 115.58 113.44 1iq3 h ASN 26 Ca 0.12 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.13 1iq3 h ASN 26 Cb 0.34 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.94 1iq3 h ASN 26 CO 0.01 0.00 -0.72 -0.61 -0.37 0.00 0.00 177.43 175.74 1iq3 h GLN 27 N 0.00 0.20 -0.14 6.67 4.15 -1.05 -3.25 115.11 121.69 1iq3 h GLN 27 Ca 0.16 -0.34 0.04 0.00 0.77 0.00 0.00 58.65 59.28 1iq3 h GLN 27 Cb 0.73 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 1iq3 h GLN 27 CO -0.00 1.16 0.22 0.35 -1.93 0.00 0.00 178.83 178.64 1iq3 h PHE 28 N -0.55 0.00 -0.37 3.99 3.04 -1.15 -1.15 116.94 120.75 1iq3 h PHE 28 Ca -0.14 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.75 1iq3 h PHE 28 Cb 1.48 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.98 1iq3 h PHE 28 CO 0.20 0.00 0.01 -0.09 -2.02 0.00 0.00 178.31 176.41 1iq3 h ARG 29 N 0.00 0.64 -0.75 1.11 2.43 -1.38 0.12 114.38 116.54 1iq3 h ARG 29 Ca 0.07 -0.20 0.17 0.00 -0.81 0.00 0.00 59.98 59.20 1iq3 h ARG 29 Cb 0.51 -0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 29.89 1iq3 h ARG 29 CO -0.00 0.75 0.16 1.03 -1.51 0.00 0.00 179.97 180.39 1iq3 h SER 30 N 0.46 -0.04 1.71 -3.80 0.87 -1.32 0.42 113.55 111.86 1iq3 h SER 30 Ca 0.10 0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1iq3 h SER 30 Cb 0.45 0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1iq3 h SER 30 CO 0.02 -0.07 -0.29 -0.07 -0.53 0.00 0.00 176.83 175.89 1iq3 h LEU 31 N 0.24 0.00 -6.51 2.23 3.38 -1.61 -3.41 115.31 109.63 1iq3 h LEU 31 Ca 0.43 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.93 1iq3 h LEU 31 Cb 0.75 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.15 1iq3 h LEU 31 CO -0.55 0.00 -0.76 -1.10 0.09 0.00 0.00 178.44 176.13 1iq3 s GLN 32 N -3.25 0.52 0.21 1.13 -1.52 0.14 -4.99 119.66 111.89 1iq3 s GLN 32 Ca 0.05 -0.94 -0.10 0.00 -1.95 0.00 0.00 55.36 52.42 1iq3 s GLN 32 Cb 0.06 -1.00 0.17 0.00 -0.22 0.00 0.00 33.01 32.02 1iq3 s GLN 32 CO 0.70 -1.17 1.88 -1.00 -0.25 0.00 0.00 175.29 175.46 1iq3 h PRO 33 N 7.32 1.06 -6.06 2.91 0.13 -1.42 -3.35 132.00 132.58 1iq3 h PRO 33 Ca 0.01 -0.07 -0.63 0.00 -0.87 0.00 0.00 66.00 64.44 1iq3 h PRO 33 Cb 1.02 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 1iq3 h PRO 33 CO 0.27 0.71 1.36 -0.25 -0.23 0.00 0.00 178.00 179.86 1iq3 n ASP 34 N -4.51 2.88 0.17 1.44 8.00 -1.26 -4.78 116.55 118.49 1iq3 n ASP 34 Ca 0.08 0.48 0.13 0.00 0.71 0.00 0.00 54.79 56.19 1iq3 n ASP 34 Cb 0.03 -1.39 0.61 0.00 -0.02 0.00 0.00 41.12 40.34 1iq3 n ASP 34 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1iq3 h PRO 35 N 12.52 0.00 -2.20 -0.24 0.13 -1.99 -3.20 132.00 137.02 1iq3 h PRO 35 Ca -0.38 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.18 1iq3 h PRO 35 Cb 1.28 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.99 1iq3 h PRO 35 CO 0.98 0.00 -0.73 0.43 -0.23 0.00 0.00 178.00 178.45 1iq3 n SER 36 N -2.39 3.44 0.00 1.44 7.64 -1.26 -4.83 113.62 117.66 1iq3 n SER 36 Ca 0.00 -3.44 0.00 0.00 1.01 0.00 0.00 58.87 56.44 1iq3 n SER 36 Cb 0.14 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1iq3 n SER 36 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1iq3 n SER 37 N 0.33 0.00 -3.78 6.43 7.64 -1.21 -5.02 113.62 118.01 1iq3 n SER 37 Ca 0.29 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.08 1iq3 n SER 37 Cb 0.44 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.58 1iq3 n SER 37 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1iq3 s PHE 38 N -0.77 0.02 0.21 1.43 -0.12 -1.26 -0.90 117.98 116.60 1iq3 s PHE 38 Ca 0.00 -0.39 -0.12 0.00 -0.05 0.00 0.00 56.93 56.38 1iq3 s PHE 38 Cb 0.00 0.05 -0.07 0.00 -0.63 0.00 0.00 43.02 42.37 1iq3 s PHE 38 CO 0.00 -0.58 0.57 0.42 -0.05 0.00 0.00 175.22 175.58 1iq3 s ILE 39 N -3.69 4.88 0.62 -4.49 1.01 -0.86 -4.81 121.20 113.86 1iq3 s ILE 39 Ca 0.03 0.63 0.33 0.00 0.00 0.00 0.00 60.65 61.64 1iq3 s ILE 39 Cb 0.03 -3.65 0.37 0.00 0.01 0.00 0.00 42.46 39.22 1iq3 s ILE 39 CO -0.10 0.01 2.15 0.28 0.00 0.00 0.00 174.94 177.28 1iq3 h SER 40 N 2.82 0.00 0.00 3.58 0.02 -1.92 -2.30 113.55 115.75 1iq3 h SER 40 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 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 0.68 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.98 1iq3 n GLY 41 N -1.29 2.80 0.17 -3.77 0.00 -1.19 -3.49 105.19 98.41 1iq3 n GLY 41 Ca -0.01 -0.81 -0.01 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 0.11 -0.59 1.61 4.64 -1.89 -2.66 113.55 114.76 1iq3 h SER 42 Ca 0.00 -0.05 0.10 0.00 -0.47 0.00 0.00 61.79 61.37 1iq3 h SER 42 Cb 0.00 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 61.98 1iq3 h SER 42 CO 0.00 0.60 0.18 0.58 -0.87 0.00 0.00 176.83 177.32 1iq3 h VAL 43 N 0.08 0.72 0.03 0.95 2.07 -1.94 -1.49 116.25 116.67 1iq3 h VAL 43 Ca 0.00 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1iq3 h VAL 43 Cb 0.93 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1iq3 h VAL 43 CO 0.07 0.06 -0.01 0.00 0.02 0.00 0.00 177.57 177.71 1iq3 h ALA 44 N 1.44 -0.04 -0.48 1.67 0.00 -1.94 -3.20 119.26 116.70 1iq3 h ALA 44 Ca 0.30 -0.35 0.14 0.00 0.00 0.00 0.00 54.91 55.00 1iq3 h ALA 44 Cb 0.41 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1iq3 h ALA 44 CO -0.34 -0.10 0.76 0.87 0.00 0.00 0.00 179.25 180.44 1iq3 h LYS 45 N -0.89 0.00 0.27 0.00 1.79 -1.29 -0.27 116.57 116.18 1iq3 h LYS 45 Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1iq3 h LYS 45 Cb 0.71 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 1iq3 h LYS 45 CO 0.01 0.00 -0.21 -0.97 -1.08 0.00 0.00 179.45 177.20 1iq3 h ASN 46 N 0.00 -0.54 0.92 0.86 -0.00 -1.27 -2.88 115.58 112.68 1iq3 h ASN 46 Ca 0.23 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.57 1iq3 h ASN 46 Cb 1.75 0.17 0.00 0.00 -0.00 0.00 0.00 38.32 40.24 1iq3 h ASN 46 CO -0.00 -0.32 -0.55 2.22 -0.00 0.00 0.00 177.43 178.78 1iq3 n PHE 47 N -5.33 0.58 0.30 0.67 1.16 -0.21 -3.85 117.46 110.76 1iq3 n PHE 47 Ca -0.09 0.17 0.14 0.00 -1.87 0.00 0.00 57.45 55.80 1iq3 n PHE 47 Cb 0.24 -0.68 0.74 0.00 -1.61 0.00 0.00 39.48 38.18 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 0.00 0.00 -0.87 2.97 -1.00 -1.05 -2.15 116.94 114.84 1iq3 h PHE 48 Ca 0.00 0.00 0.21 0.00 2.81 0.00 0.00 57.97 60.99 1iq3 h PHE 48 Cb 0.73 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.17 1iq3 h PHE 48 CO 0.00 0.00 0.36 0.00 -1.61 0.00 0.00 178.31 177.06 1iq3 h THR 49 N 0.00 0.48 -2.10 -1.55 1.03 -1.67 -3.34 112.91 105.76 1iq3 h THR 49 Ca 0.00 -0.13 -0.51 0.00 -0.01 0.00 0.00 66.41 65.76 1iq3 h THR 49 Cb 0.60 0.06 -0.04 0.00 -1.07 0.00 0.00 68.15 67.70 1iq3 h THR 49 CO 0.00 0.07 1.28 -1.59 -0.01 0.00 0.00 175.52 175.27 1iq3 s LYS 50 N -5.91 2.78 0.00 0.00 -2.85 -0.81 -3.76 119.74 109.19 1iq3 s LYS 50 Ca -0.12 0.44 0.00 0.00 -1.00 0.00 0.00 55.97 55.30 1iq3 s LYS 50 Cb 0.25 -4.33 0.00 0.00 -2.06 0.00 0.00 37.83 31.68 1iq3 s LYS 50 CO 0.78 -2.57 0.00 0.43 0.10 0.00 0.00 175.35 174.09 1iq3 n SER 51 N 11.90 0.00 -0.24 0.03 7.64 -1.25 -4.95 113.62 126.75 1iq3 n SER 51 Ca 0.17 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.09 1iq3 n SER 51 Cb 0.51 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.89 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 0.00 1.31 0.00 1.43 0.00 -1.25 -4.91 118.16 114.74 1iq3 n LYS 52 Ca 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 58.31 57.83 1iq3 n LYS 52 Cb 0.00 -1.17 0.00 0.00 -0.00 0.00 0.00 35.03 33.86 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 -0.17 0.00 0.00 -5.58 4.77 -1.26 -1.14 117.00 113.62 1iq3 n LEU 53 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1iq3 n LEU 53 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1iq3 n LEU 53 CO 0.05 0.00 -0.03 -0.24 -1.33 0.00 0.00 177.39 175.85 1iq3 n SER 54 N 4.11 0.27 -4.49 -1.43 2.88 -1.26 -5.00 113.62 108.71 1iq3 n SER 54 Ca 0.00 -0.24 -0.42 0.00 -1.33 0.00 0.00 58.87 56.88 1iq3 n SER 54 Cb 0.00 0.53 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 1iq3 n SER 54 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1iq3 s ILE 55 N -0.59 5.27 -0.22 2.46 1.01 -0.29 -5.02 121.20 123.83 1iq3 s ILE 55 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 1iq3 s ILE 55 Cb 0.00 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.56 1iq3 s ILE 55 CO 0.00 -0.18 2.18 -2.65 0.00 0.00 0.00 174.94 174.30 1iq3 n PRO 56 N 5.15 1.87 -2.31 2.79 -0.02 -1.26 -4.72 135.00 136.50 1iq3 n PRO 56 Ca -0.12 0.54 -0.03 0.00 -2.02 0.00 0.00 63.50 61.88 1iq3 n PRO 56 Cb 0.48 -3.04 0.09 0.00 -0.02 0.00 0.00 33.50 31.01 1iq3 n PRO 56 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1iq3 n GLU 57 N 8.44 1.05 -0.17 -0.52 2.13 -1.26 -4.93 120.64 125.38 1iq3 n GLU 57 Ca 0.31 -1.08 0.09 0.00 0.66 0.00 0.00 57.16 57.15 1iq3 n GLU 57 Cb 0.39 0.41 0.27 0.00 0.27 0.00 0.00 31.44 32.78 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 -1.20 2.33 0.09 4.31 4.77 -1.26 -4.13 117.00 121.91 1iq3 n LEU 58 Ca -0.18 -1.07 -0.22 0.00 -0.03 0.00 0.00 56.01 54.51 1iq3 n LEU 58 Cb 0.82 -0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 41.55 1iq3 n LEU 58 CO -0.14 0.53 -0.06 -1.28 -1.33 0.00 0.00 177.39 175.11 1iq3 h SER 59 N 2.81 0.80 0.91 -1.43 0.87 -2.00 -3.04 113.55 112.48 1iq3 h SER 59 Ca 0.00 -0.85 -0.12 0.00 -1.23 0.00 0.00 61.79 59.59 1iq3 h SER 59 Cb 0.63 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1iq3 h SER 59 CO 0.00 1.58 -0.57 0.10 -0.53 0.00 0.00 176.83 177.40 1iq3 h TYR 60 N 0.14 0.00 -0.20 2.24 -0.00 -1.99 -1.81 116.97 115.34 1iq3 h TYR 60 Ca -0.19 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.47 1iq3 h TYR 60 Cb 1.88 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.61 1iq3 h TYR 60 CO 0.13 0.57 -0.15 0.97 -0.00 0.00 0.00 178.16 179.69 1iq3 h ILE 61 N 0.00 1.32 -0.16 -0.90 6.09 -1.75 -2.55 117.51 119.55 1iq3 h ILE 61 Ca -0.01 -1.26 -0.06 0.00 -1.37 0.00 0.00 64.86 62.16 1iq3 h ILE 61 Cb 1.18 1.70 -0.00 0.00 0.47 0.00 0.00 36.82 40.17 1iq3 h ILE 61 CO 0.07 0.38 -0.14 -0.25 -3.07 0.00 0.00 178.15 175.15 1iq3 h TRP 62 N 0.15 0.45 -0.69 2.19 2.91 -1.53 -1.10 115.95 118.33 1iq3 h TRP 62 Ca 0.04 -0.13 0.20 0.00 1.13 0.00 0.00 58.89 60.13 1iq3 h TRP 62 Cb 0.67 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 29.19 1iq3 h TRP 62 CO 0.07 0.75 0.52 1.49 -1.03 0.00 0.00 178.44 180.24 1iq3 h GLU 63 N 0.02 0.00 0.00 2.65 4.57 -1.34 0.37 114.58 120.85 1iq3 h GLU 63 Ca 0.03 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.96 1iq3 h GLU 63 Cb 0.66 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 1iq3 h GLU 63 CO 0.04 0.00 -1.35 -0.07 -1.18 0.00 0.00 179.01 176.45 1iq3 h LEU 64 N 0.00 0.00 -1.12 1.64 3.38 -1.11 -3.26 115.31 114.83 1iq3 h LEU 64 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1iq3 h LEU 64 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1iq3 h LEU 64 CO -0.00 0.96 0.00 0.77 0.09 0.00 0.00 178.44 180.26 1iq3 h SER 65 N 0.00 0.00 -4.34 -0.43 4.64 0.10 -3.42 113.55 110.09 1iq3 h SER 65 Ca -0.15 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.55 1iq3 h SER 65 Cb 1.87 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.69 1iq3 h SER 65 CO 0.10 0.00 -0.86 -0.62 -0.87 0.00 0.00 176.83 174.58 1iq3 s ASP 66 N -4.73 2.68 -0.27 4.97 2.15 -0.79 -4.89 116.67 115.78 1iq3 s ASP 66 Ca 0.02 -0.50 0.22 0.00 0.43 0.00 0.00 52.55 52.72 1iq3 s ASP 66 Cb 0.09 -0.25 0.50 0.00 -0.30 0.00 0.00 42.92 42.96 1iq3 s ASP 66 CO 0.42 0.22 1.08 0.00 -0.17 0.00 0.00 175.17 176.72 1iq3 n ALA 67 N 2.03 2.77 -1.64 3.66 0.00 -1.26 -4.82 120.51 121.25 1iq3 n ALA 67 Ca -0.17 -2.82 -0.02 0.00 0.00 0.00 0.00 53.44 50.43 1iq3 n ALA 67 Cb 0.53 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.48 -0.27 -3.12 0.00 5.68 -1.26 -4.97 116.55 112.13 1iq3 n ASP 68 Ca 0.07 -0.78 -0.13 0.00 -0.50 0.00 0.00 54.79 53.45 1iq3 n ASP 68 Cb 0.81 0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.84 1iq3 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1iq3 h ASP 70 N -0.27 0.04 0.00 0.00 3.58 -1.96 -3.47 116.42 114.34 1iq3 h ASP 70 Ca -0.19 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1iq3 h ASP 70 Cb 1.12 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1iq3 h ASP 70 CO 0.28 1.05 0.00 0.61 -2.88 0.00 0.00 179.24 178.29 1iq3 n GLY 71 N 1.44 2.42 3.92 -0.78 0.00 -1.26 -4.98 105.19 105.95 1iq3 n GLY 71 Ca -0.06 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.68 3.50 -0.22 4.61 0.00 -1.23 -3.16 121.76 124.57 1iq3 s ALA 72 Ca 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 1iq3 s ALA 72 Cb 0.00 -2.42 0.08 0.00 0.00 0.00 0.00 23.12 20.77 1iq3 s ALA 72 CO 0.00 -0.28 0.11 -0.51 0.00 0.00 0.00 175.76 175.08 1iq3 s LEU 73 N -4.62 0.42 1.12 0.00 1.02 -0.86 -4.89 118.68 110.87 1iq3 s LEU 73 Ca 0.46 -0.91 -0.18 0.00 0.02 0.00 0.00 54.13 53.51 1iq3 s LEU 73 Cb -0.10 -0.28 0.13 0.00 0.02 0.00 0.00 46.19 45.96 1iq3 s LEU 73 CO 0.42 -0.39 0.08 0.35 0.02 0.00 0.00 176.35 176.83 1iq3 n THR 74 N 5.27 0.00 -0.14 5.49 -2.24 -1.26 -2.03 114.28 119.36 1iq3 n THR 74 Ca -0.07 -0.26 -0.03 0.00 -2.27 0.00 0.00 64.05 61.43 1iq3 n THR 74 Cb 0.46 -0.61 0.05 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.24 -0.09 -1.99 3.22 5.85 -1.34 0.26 115.31 118.98 1iq3 h LEU 75 Ca -0.49 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 1iq3 h LEU 75 Cb 1.28 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 1iq3 h LEU 75 CO 0.35 -0.01 -0.02 -0.65 -0.34 0.00 0.00 178.44 177.76 1iq3 h PRO 76 N 0.17 0.00 -0.26 5.25 0.11 -1.87 -2.11 132.00 133.29 1iq3 h PRO 76 Ca 0.23 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.16 1iq3 h PRO 76 Cb 0.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1iq3 h PRO 76 CO -0.34 0.02 -0.53 0.93 -0.21 0.00 0.00 178.00 177.88 1iq3 h GLU 77 N 0.00 0.81 0.00 1.05 5.08 -0.79 -2.92 114.58 117.81 1iq3 h GLU 77 Ca -0.00 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1iq3 h GLU 77 Cb 0.04 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1iq3 h GLU 77 CO 0.00 1.16 0.00 0.35 -1.00 0.00 0.00 179.01 179.52 1iq3 h PHE 78 N 0.57 0.00 0.08 4.33 3.04 -0.64 -2.95 116.94 121.38 1iq3 h PHE 78 Ca 0.01 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1iq3 h PHE 78 Cb 1.14 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.65 1iq3 h PHE 78 CO 0.08 0.00 -0.04 0.00 -2.02 0.00 0.00 178.31 176.33 1iq3 h ALA 80 N 0.70 0.66 -0.06 0.00 0.00 -1.63 -2.86 119.26 116.06 1iq3 h ALA 80 Ca -0.01 -0.63 0.04 0.00 0.00 0.00 0.00 54.91 54.31 1iq3 h ALA 80 Cb 0.19 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1iq3 h ALA 80 CO 0.02 0.80 -0.23 0.00 0.00 0.00 0.00 179.25 179.84 1iq3 h ALA 81 N 1.04 -0.25 -0.23 0.00 0.00 -1.38 -1.55 119.26 116.89 1iq3 h ALA 81 Ca -0.03 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1iq3 h ALA 81 Cb 1.30 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1iq3 h ALA 81 CO 0.12 -0.71 -0.22 0.74 0.00 0.00 0.00 179.25 179.18 1iq3 h PHE 82 N -0.33 0.46 -0.83 0.00 -1.00 -1.50 -2.60 116.94 111.14 1iq3 h PHE 82 Ca 0.08 -0.09 0.18 0.00 2.81 0.00 0.00 57.97 60.95 1iq3 h PHE 82 Cb 0.44 -0.12 -0.06 0.00 3.61 0.00 0.00 35.95 39.83 1iq3 h PHE 82 CO -0.30 0.61 0.55 0.45 -1.61 0.00 0.00 178.31 178.02 1iq3 h HIS 83 N 0.37 0.52 0.00 -0.55 3.86 -1.05 -1.83 115.15 116.48 1iq3 h HIS 83 Ca 0.06 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1iq3 h HIS 83 Cb 0.60 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 1iq3 h HIS 83 CO 0.02 0.17 -0.05 -0.07 0.86 0.00 0.00 177.93 178.86 1iq3 h LEU 84 N 0.42 0.00 -0.90 2.43 3.38 -1.08 -2.55 115.31 117.01 1iq3 h LEU 84 Ca 0.42 -0.62 0.25 0.00 0.09 0.00 0.00 57.88 58.02 1iq3 h LEU 84 Cb 1.00 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.60 1iq3 h LEU 84 CO -0.15 0.84 0.17 0.40 0.09 0.00 0.00 178.44 179.79 1iq3 h ILE 85 N -1.00 0.21 -0.11 1.22 5.03 -1.24 0.75 117.51 122.37 1iq3 h ILE 85 Ca -0.01 -0.04 -0.17 0.00 -0.12 0.00 0.00 64.86 64.52 1iq3 h ILE 85 Cb 0.66 0.08 -0.01 0.00 -3.03 0.00 0.00 36.82 34.52 1iq3 h ILE 85 CO -0.01 0.02 -0.64 0.58 -0.68 0.00 0.00 178.15 177.43 1iq3 h VAL 86 N 0.12 1.36 -0.55 1.67 2.07 -1.45 -2.93 116.25 116.54 1iq3 h VAL 86 Ca 0.57 -1.98 0.16 0.00 0.82 0.00 0.00 66.70 66.26 1iq3 h VAL 86 Cb 1.17 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 1iq3 h VAL 86 CO -0.74 0.60 0.56 0.00 0.02 0.00 0.00 177.57 178.01 1iq3 h ALA 87 N 1.01 2.31 0.05 1.67 0.00 0.97 0.39 119.26 125.66 1iq3 h ALA 87 Ca -0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1iq3 h ALA 87 Cb 1.18 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.03 1iq3 h ALA 87 CO 0.11 -0.84 -0.49 -0.09 0.00 0.00 0.00 179.25 177.93 1iq3 h ARG 88 N 0.00 0.24 -0.94 0.00 9.65 -1.28 0.78 114.38 122.82 1iq3 h ARG 88 Ca 0.26 -0.33 -0.13 0.00 -1.10 0.00 0.00 59.98 58.68 1iq3 h ARG 88 Cb 1.38 0.11 -0.08 0.00 -1.39 0.00 0.00 29.97 29.99 1iq3 h ARG 88 CO -0.00 1.09 0.17 1.17 2.80 0.00 0.00 179.97 185.20 1iq3 n LYS 89 N -4.32 1.91 -1.50 0.20 3.00 0.01 -3.81 118.16 113.66 1iq3 n LYS 89 Ca -0.11 -1.24 0.04 0.00 -0.00 0.00 0.00 58.31 56.99 1iq3 n LYS 89 Cb 0.66 -1.60 0.02 0.00 0.00 0.00 0.00 35.03 34.10 1iq3 n LYS 89 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1iq3 n ASN 90 N -0.01 1.01 -2.28 3.14 5.15 -0.52 -4.96 115.26 116.78 1iq3 n ASN 90 Ca 0.19 -2.01 -0.15 0.00 -0.60 0.00 0.00 54.58 52.01 1iq3 n ASN 90 Cb 0.85 -0.30 -0.02 0.00 -0.53 0.00 0.00 39.78 39.78 1iq3 n ASN 90 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1iq3 n GLY 91 N 0.49 -0.21 3.27 8.20 0.00 -1.25 -4.91 105.19 110.79 1iq3 n GLY 91 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.69 3.34 -0.22 1.61 6.14 0.26 -5.03 117.35 120.76 1iq3 s TYR 92 Ca 0.00 -1.53 -0.28 0.00 0.64 0.00 0.00 57.07 55.90 1iq3 s TYR 92 Cb 0.00 -3.12 -0.05 0.00 0.42 0.00 0.00 41.96 39.22 1iq3 s TYR 92 CO 0.00 -0.88 2.20 -2.14 0.64 0.00 0.00 175.55 175.37 1iq3 s PRO 93 N 1.44 3.13 -0.39 4.97 0.02 -1.26 -4.09 135.00 138.82 1iq3 s PRO 93 Ca 0.04 2.00 -0.37 0.00 0.02 0.00 0.00 61.00 62.68 1iq3 s PRO 93 Cb -0.24 -4.37 -0.13 0.00 0.02 0.00 0.00 34.50 29.78 1iq3 s PRO 93 CO 0.02 -2.10 2.18 1.47 -0.33 0.00 0.00 177.00 178.24 1iq3 n LEU 94 N 11.64 1.77 0.04 -5.54 -0.00 -1.26 -4.84 117.00 118.81 1iq3 n LEU 94 Ca 0.29 0.48 -0.02 0.00 -0.00 0.00 0.00 56.01 56.77 1iq3 n LEU 94 Cb 0.45 -1.17 -0.01 0.00 -0.00 0.00 0.00 43.42 42.69 1iq3 n LEU 94 CO 0.66 -0.74 0.38 1.55 -0.00 0.00 0.00 177.39 179.24 1iq3 h PRO 95 N 11.52 -0.11 -7.55 1.47 0.13 -2.00 -3.45 132.00 132.00 1iq3 h PRO 95 Ca -0.23 0.01 -0.42 0.00 -0.87 0.00 0.00 66.00 64.49 1iq3 h PRO 95 Cb 1.35 0.02 0.19 0.00 0.13 0.00 0.00 31.00 32.69 1iq3 h PRO 95 CO 1.04 -0.07 0.22 -1.21 -0.23 0.00 0.00 178.00 177.75 1iq3 s GLU 96 N -2.75 -0.98 -0.76 0.86 2.02 -1.26 -4.20 118.70 111.64 1iq3 s GLU 96 Ca -0.02 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1iq3 s GLU 96 Cb 0.00 -1.65 0.00 0.00 0.10 0.00 0.00 34.13 32.58 1iq3 s GLU 96 CO 0.05 -3.51 0.00 0.41 0.02 0.00 0.00 175.26 172.23 1iq3 n GLY 97 N -1.87 0.30 3.11 -1.39 0.00 -1.26 -5.01 105.19 99.07 1iq3 n GLY 97 Ca 0.16 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 1iq3 n GLY 97 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iq3 s LEU 98 N -2.26 1.84 0.00 0.99 0.20 -1.26 -5.13 118.68 113.07 1iq3 s LEU 98 Ca 0.00 -0.40 -0.01 0.00 0.69 0.00 0.00 54.13 54.41 1iq3 s LEU 98 Cb 0.00 -1.07 0.01 0.00 -0.43 0.00 0.00 46.19 44.71 1iq3 s LEU 98 CO 0.00 0.10 0.03 -2.65 -0.29 0.00 0.00 176.35 173.53 1iq3 n PRO 99 N 3.62 -1.70 -1.54 0.98 -0.02 -1.26 -4.61 135.00 130.47 1iq3 n PRO 99 Ca -0.21 -0.04 -0.22 0.00 -2.02 0.00 0.00 63.50 61.00 1iq3 n PRO 99 Cb 0.52 -0.06 -0.11 0.00 -0.02 0.00 0.00 33.50 33.84 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 -1.91 0.48 -3.40 0.52 -0.02 -1.26 -4.80 135.00 124.61 1iq3 n PRO 100 Ca 0.00 -0.41 -0.27 0.00 -2.02 0.00 0.00 63.50 60.80 1iq3 n PRO 100 Cb 0.02 -2.85 -0.10 0.00 -0.02 0.00 0.00 33.50 30.55 1iq3 n PRO 100 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1iq3 s THR 101 N 10.52 0.29 -0.46 3.45 -4.23 -1.26 -4.96 115.64 118.98 1iq3 s THR 101 Ca 1.07 -2.48 0.03 0.00 -1.18 0.00 0.00 61.69 59.13 1iq3 s THR 101 Cb -0.41 -1.22 0.47 0.00 1.34 0.00 0.00 72.50 72.69 1iq3 s THR 101 CO 0.26 -1.19 1.63 -0.11 -0.54 0.00 0.00 174.62 174.68 1iq3 n LEU 102 N 3.04 6.12 -4.48 4.79 0.00 -1.26 -5.03 117.00 120.18 1iq3 n LEU 102 Ca 0.27 -4.37 -0.28 0.00 0.00 0.00 0.00 56.01 51.63 1iq3 n LEU 102 Cb 0.46 -0.68 0.26 0.00 0.00 0.00 0.00 43.42 43.46 1iq3 n LEU 102 CO 0.09 1.67 0.51 0.00 0.00 0.00 0.00 177.39 179.66 1iq3 s GLN 103 N -3.64 -1.07 -0.97 1.96 -2.07 -1.26 -4.74 119.66 107.86 1iq3 s GLN 103 Ca 0.57 0.80 -0.26 0.00 -1.82 0.00 0.00 55.36 54.65 1iq3 s GLN 103 Cb 0.46 -1.54 -0.16 0.00 -1.09 0.00 0.00 33.01 30.67 1iq3 s GLN 103 CO 0.02 -3.82 2.19 -2.14 -1.32 0.00 0.00 175.29 170.22 1iq3 s PRO 104 N -4.45 1.59 -0.12 9.60 0.02 -1.26 -4.58 135.00 135.80 1iq3 s PRO 104 Ca 0.69 -0.16 0.14 0.00 0.02 0.00 0.00 61.00 61.68 1iq3 s PRO 104 Cb -0.25 -4.95 0.31 0.00 0.02 0.00 0.00 34.50 29.64 1iq3 s PRO 104 CO 0.65 -4.78 1.15 -1.91 -0.33 0.00 0.00 177.00 171.78 1iq3 n GLU 105 N 8.48 0.98 -2.67 5.54 2.13 -1.26 -4.76 120.64 129.08 1iq3 n GLU 105 Ca 0.44 -2.49 -0.02 0.00 0.66 0.00 0.00 57.16 55.74 1iq3 n GLU 105 Cb 0.45 -1.15 0.13 0.00 0.27 0.00 0.00 31.44 31.15 1iq3 n GLU 105 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1iq3 n PHE 106 N -0.80 -2.03 0.00 4.31 -0.00 -1.26 -5.06 117.46 112.63 1iq3 n PHE 106 Ca 0.13 -1.74 0.00 0.00 -0.00 0.00 0.00 57.45 55.84 1iq3 n PHE 106 Cb 0.75 1.53 0.00 0.00 -0.00 0.00 0.00 39.48 41.76 1iq3 n PHE 106 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 1iq3 n ILE 107 N -1.50 0.00 -2.32 -2.13 5.41 -1.26 -4.50 119.36 113.06 1iq3 n ILE 107 Ca -0.17 0.54 -0.37 0.00 1.00 0.00 0.00 62.75 63.75 1iq3 n ILE 107 Cb 0.88 -1.13 -0.02 0.00 -0.71 0.00 0.00 39.64 38.66 1iq3 n ILE 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1iq3 s VAL 108 N -0.07 3.24 0.00 1.39 0.11 -1.26 -4.93 120.40 118.87 1iq3 s VAL 108 Ca 0.00 0.94 0.00 0.00 -2.93 0.00 0.00 61.98 59.99 1iq3 s VAL 108 Cb 0.00 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.37 1iq3 s VAL 108 CO 0.00 0.00 0.32 0.41 -3.33 0.00 0.00 175.10 172.50 1iq3 n THR 109 N -0.34 0.06 -0.07 5.04 -1.04 -1.26 -5.18 114.28 111.48 1iq3 n THR 109 Ca 0.06 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1iq3 n THR 109 Cb 0.48 1.40 0.00 0.00 -1.82 0.00 0.00 70.33 70.39 1iq3 n THR 109 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53