#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iq3 h LEU 2 N 0.00 0.00 -0.02 1.04 3.38 -1.45 -1.30 115.31 116.96 3iq3 h LEU 2 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iq3 h LEU 2 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3iq3 h LEU 2 CO 0.00 0.12 0.01 0.15 0.09 0.00 0.00 178.44 178.81 3iq3 h PHE 3 N 0.00 0.03 -0.83 1.13 3.04 -1.95 0.24 116.94 118.61 3iq3 h PHE 3 Ca -0.00 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 3iq3 h PHE 3 Cb 0.29 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.75 3iq3 h PHE 3 CO 0.00 0.12 0.36 0.93 -2.02 0.00 0.00 178.31 177.69 3iq3 h GLU 4 N -0.06 1.22 0.15 1.11 3.07 -1.65 -0.87 114.58 117.55 3iq3 h GLU 4 Ca 0.01 -0.20 0.01 0.00 -0.50 0.00 0.00 59.36 58.67 3iq3 h GLU 4 Cb 0.10 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 3iq3 h GLU 4 CO -0.00 0.96 -0.17 1.25 -1.40 0.00 0.00 179.01 179.65 3iq3 h LEU 5 N 1.19 -0.46 -0.81 1.33 5.85 -1.04 0.59 115.31 121.95 3iq3 h LEU 5 Ca 0.28 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 3iq3 h LEU 5 Cb 0.18 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3iq3 h LEU 5 CO -0.03 -0.26 0.49 1.23 -0.34 0.00 0.00 178.44 179.54 3iq3 h GLY 6 N -0.37 1.18 1.01 3.75 0.00 -0.32 0.12 103.07 108.44 3iq3 h GLY 6 Ca 0.01 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 3iq3 h GLY 6 CO -0.06 0.47 0.47 1.70 0.00 0.00 0.00 176.54 179.13 3iq3 h LYS 7 N 1.11 1.05 -0.63 4.80 3.64 -0.82 -1.05 116.57 124.68 3iq3 h LYS 7 Ca 0.29 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 3iq3 h LYS 7 Cb -0.04 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.53 3iq3 h LYS 7 CO -0.05 0.74 0.08 0.52 -2.27 0.00 0.00 179.45 178.46 3iq3 h MET 8 N 1.06 1.04 -0.43 1.90 2.86 0.38 0.84 114.93 122.57 3iq3 h MET 8 Ca 0.28 -0.28 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 3iq3 h MET 8 Cb -0.05 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 3iq3 h MET 8 CO -0.05 0.96 0.05 0.82 1.06 0.00 0.00 176.91 179.75 3iq3 h ILE 9 N 0.97 1.25 -0.39 -1.22 2.04 -0.42 0.18 117.51 119.93 3iq3 h ILE 9 Ca 0.19 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3iq3 h ILE 9 Cb 0.44 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3iq3 h ILE 9 CO 0.01 0.32 0.26 0.25 0.00 0.00 0.00 178.15 178.99 3iq3 h LEU 10 N 0.58 0.44 -0.74 1.44 5.85 -0.75 0.11 115.31 122.25 3iq3 h LEU 10 Ca 0.13 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 3iq3 h LEU 10 Cb 0.41 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3iq3 h LEU 10 CO 0.01 0.32 0.27 1.56 -0.34 0.00 0.00 178.44 180.26 3iq3 h GLN 11 N 0.52 1.12 0.07 1.25 4.20 -0.22 0.41 115.11 122.46 3iq3 h GLN 11 Ca 0.14 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 3iq3 h GLN 11 Cb -0.06 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.55 3iq3 h GLN 11 CO -0.03 0.93 -0.03 0.93 -0.67 0.00 0.00 178.83 179.96 3iq3 h GLU 12 N 1.07 -0.09 0.00 1.46 4.39 -0.46 -3.38 114.58 117.58 3iq3 h GLU 12 Ca 0.24 0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.82 3iq3 h GLU 12 Cb 0.25 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 3iq3 h GLU 12 CO -0.01 0.49 -1.14 1.79 -1.16 0.00 0.00 179.01 178.97 3iq3 h THR 13 N -0.78 0.50 0.00 1.13 1.35 -0.80 -3.45 112.91 110.85 3iq3 h THR 13 Ca -0.01 -1.89 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 3iq3 h THR 13 Cb 0.61 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3iq3 h THR 13 CO 0.01 0.28 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 3iq3 n GLY 14 N 1.33 0.72 3.77 5.82 0.00 0.14 -5.00 105.19 111.97 3iq3 n GLY 14 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3iq3 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iq3 s LYS 15 N -0.12 3.07 -0.03 1.61 -0.14 -1.25 -5.02 119.74 117.86 3iq3 s LYS 15 Ca 0.00 -0.44 -0.33 0.00 -1.36 0.00 0.00 55.97 53.84 3iq3 s LYS 15 Cb 0.00 -2.87 -0.11 0.00 -1.68 0.00 0.00 37.83 33.17 3iq3 s LYS 15 CO 0.00 0.67 1.89 -1.71 -0.76 0.00 0.00 175.35 175.44 3iq3 n ASN 16 N 1.44 3.66 -0.06 2.83 2.85 -1.26 -4.01 115.26 120.71 3iq3 n ASN 16 Ca -0.15 0.96 -0.05 0.00 -0.11 0.00 0.00 54.58 55.23 3iq3 n ASN 16 Cb 0.53 -1.42 0.15 0.00 1.24 0.00 0.00 39.78 40.27 3iq3 n ASN 16 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3iq3 h PRO 17 N 9.44 0.69 -0.17 1.20 0.13 -1.92 -2.22 132.00 139.15 3iq3 h PRO 17 Ca -0.49 -0.24 -0.01 0.00 -0.87 0.00 0.00 66.00 64.39 3iq3 h PRO 17 Cb 1.26 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3iq3 h PRO 17 CO 0.94 0.82 0.06 0.00 -0.23 0.00 0.00 178.00 179.59 3iq3 h ALA 18 N 1.20 0.22 -0.34 -0.56 0.00 -1.91 0.30 119.26 118.17 3iq3 h ALA 18 Ca 0.10 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3iq3 h ALA 18 Cb 0.63 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3iq3 h ALA 18 CO 0.04 -0.18 -0.04 -0.22 0.00 0.00 0.00 179.25 178.86 3iq3 h LYS 19 N 0.10 0.63 0.19 0.00 3.64 -1.90 0.20 116.57 119.43 3iq3 h LYS 19 Ca 0.05 -0.22 -0.32 0.00 -1.27 0.00 0.00 60.65 58.89 3iq3 h LYS 19 Cb 0.20 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3iq3 h LYS 19 CO -0.00 0.77 -1.48 0.77 -2.27 0.00 0.00 179.45 177.24 3iq3 h SER 20 N 0.42 0.64 0.00 4.20 0.02 -1.41 -3.41 113.55 114.01 3iq3 h SER 20 Ca 0.09 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 3iq3 h SER 20 Cb 0.51 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3iq3 h SER 20 CO 0.03 1.60 0.00 -1.22 -1.14 0.00 0.00 176.83 176.09 3iq3 n TYR 21 N -3.61 0.00 0.27 3.45 4.01 0.10 -4.64 117.16 116.74 3iq3 n TYR 21 Ca -0.16 -0.03 0.14 0.00 -0.16 0.00 0.00 57.90 57.69 3iq3 n TYR 21 Cb 1.07 -0.00 0.75 0.00 -0.31 0.00 0.00 39.34 40.85 3iq3 n TYR 21 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3iq3 h GLY 22 N 0.00 0.00 -6.03 2.72 0.00 0.12 -3.18 103.07 96.70 3iq3 h GLY 22 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3iq3 h GLY 22 CO 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 176.54 176.08 3iq3 s ALA 23 N -4.06 -2.22 -0.06 3.60 0.00 -1.21 -3.78 121.76 114.02 3iq3 s ALA 23 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.13 3iq3 s ALA 23 Cb 0.12 -2.67 0.02 0.00 0.00 0.00 0.00 23.12 20.60 3iq3 s ALA 23 CO 0.56 -2.18 -0.03 -0.47 0.00 0.00 0.00 175.76 173.64 3iq3 s TYR 24 N 1.89 0.80 0.00 0.00 6.14 -0.24 -0.52 117.35 125.42 3iq3 s TYR 24 Ca 0.16 -0.25 0.00 0.00 0.64 0.00 0.00 57.07 57.62 3iq3 s TYR 24 Cb -0.05 -0.78 0.00 0.00 0.42 0.00 0.00 41.96 41.55 3iq3 s TYR 24 CO -0.08 -0.27 0.00 0.41 0.64 0.00 0.00 175.55 176.24 3iq3 n GLY 25 N 4.53 2.17 0.36 8.97 0.00 0.77 -1.56 105.19 120.43 3iq3 n GLY 25 Ca -0.17 -0.43 0.10 0.00 0.00 0.00 0.00 46.02 45.52 3iq3 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iq3 n ASN 27 N -0.37 2.24 -4.62 0.00 4.13 -1.23 -3.07 115.26 112.34 3iq3 n ASN 27 Ca 0.08 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.92 3iq3 n ASN 27 Cb 0.41 0.35 -0.04 0.00 -1.54 0.00 0.00 39.78 38.96 3iq3 n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3iq3 n GLY 29 N 4.07 1.10 3.33 0.00 0.00 -1.20 -1.08 105.19 111.40 3iq3 n GLY 29 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3iq3 n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3iq3 n VAL 30 N 0.00 0.07 -2.39 1.61 0.24 -1.25 -4.88 118.33 111.73 3iq3 n VAL 30 Ca 0.00 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.34 61.61 3iq3 n VAL 30 Cb 0.00 -0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 31.85 3iq3 n VAL 30 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3iq3 s LEU 31 N 0.95 4.32 0.00 1.34 1.98 -1.26 -4.88 118.68 121.13 3iq3 s LEU 31 Ca 0.53 1.96 0.00 0.00 -2.89 0.00 0.00 54.13 53.73 3iq3 s LEU 31 Cb -0.21 -3.57 0.00 0.00 0.66 0.00 0.00 46.19 43.07 3iq3 s LEU 31 CO 0.71 -0.57 0.00 0.61 -1.89 0.00 0.00 176.35 175.20 3iq3 n GLY 32 N 3.37 -1.35 3.63 7.98 0.00 -1.26 -4.94 105.19 112.62 3iq3 n GLY 32 Ca 0.11 -1.20 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 3iq3 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iq3 s ARG 33 N 0.00 2.26 0.17 1.61 0.52 -1.26 -4.52 118.95 117.73 3iq3 s ARG 33 Ca 0.00 -1.21 -0.11 0.00 -0.52 0.00 0.00 55.73 53.89 3iq3 s ARG 33 Cb 0.00 -2.26 0.00 0.00 0.52 0.00 0.00 34.95 33.21 3iq3 s ARG 33 CO 0.00 0.44 0.33 0.20 0.02 0.00 0.00 175.30 176.29 3iq3 s GLY 34 N -3.00 0.31 -0.02 -3.53 0.00 -1.17 -4.33 107.32 95.58 3iq3 s GLY 34 Ca 0.27 -0.70 -0.34 0.00 0.00 0.00 0.00 44.72 43.94 3iq3 s GLY 34 CO 0.17 -0.70 1.76 1.17 0.00 0.00 0.00 173.10 175.51 3iq3 n LYS 35 N -0.23 2.08 -1.74 2.90 4.81 0.16 -4.54 118.16 121.60 3iq3 n LYS 35 Ca -0.09 0.76 -0.42 0.00 -0.87 0.00 0.00 58.31 57.69 3iq3 n LYS 35 Cb 0.63 -2.56 -0.01 0.00 0.02 0.00 0.00 35.03 33.10 3iq3 n LYS 35 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3iq3 n PRO 36 N 5.45 2.53 0.14 1.64 -0.02 -1.26 -4.64 135.00 138.84 3iq3 n PRO 36 Ca 0.21 0.89 0.01 0.00 -2.02 0.00 0.00 63.50 62.60 3iq3 n PRO 36 Cb 0.28 -2.61 0.09 0.00 -0.02 0.00 0.00 33.50 31.24 3iq3 n PRO 36 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3iq3 h LYS 37 N 3.81 0.00 0.00 -0.52 1.79 -1.90 -3.47 116.57 116.28 3iq3 h LYS 37 Ca -0.48 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.05 3iq3 h LYS 37 Cb 1.25 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.88 3iq3 h LYS 37 CO 0.72 0.57 0.21 -0.40 -1.08 0.00 0.00 179.45 179.46 3iq3 n ASP 38 N -3.36 -0.52 -0.19 0.86 5.75 -1.26 -5.00 116.55 112.82 3iq3 n ASP 38 Ca 0.01 -1.25 -0.09 0.00 -0.01 0.00 0.00 54.79 53.45 3iq3 n ASP 38 Cb 0.70 0.84 0.01 0.00 -1.03 0.00 0.00 41.12 41.65 3iq3 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iq3 h ALA 39 N 2.00 0.71 -0.54 2.12 0.00 -1.93 0.21 119.26 121.83 3iq3 h ALA 39 Ca -0.08 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.69 3iq3 h ALA 39 Cb 0.38 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3iq3 h ALA 39 CO 0.11 0.40 0.21 1.15 0.00 0.00 0.00 179.25 181.12 3iq3 h THR 40 N 0.75 0.82 -0.47 0.00 2.02 -1.90 0.17 112.91 114.30 3iq3 h THR 40 Ca 0.17 -0.14 -0.13 0.00 0.77 0.00 0.00 66.41 67.09 3iq3 h THR 40 Cb 0.33 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3iq3 h THR 40 CO 0.00 0.07 -0.21 -0.78 0.37 0.00 0.00 175.52 174.97 3iq3 h ASP 41 N 0.39 0.98 -0.65 4.18 3.58 -1.70 -1.03 116.42 122.17 3iq3 h ASP 41 Ca 0.26 -0.37 0.03 0.00 0.42 0.00 0.00 57.03 57.38 3iq3 h ASP 41 Cb 0.28 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 41.03 3iq3 h ASP 41 CO -0.26 1.15 0.43 -0.09 -2.88 0.00 0.00 179.24 177.59 3iq3 h ARG 42 N 0.83 0.76 -0.62 0.28 2.43 0.06 0.46 114.38 118.58 3iq3 h ARG 42 Ca 0.11 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.31 3iq3 h ARG 42 Cb 0.78 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.09 3iq3 h ARG 42 CO 0.06 0.50 0.30 0.00 -1.51 0.00 0.00 179.97 179.32 3iq3 h TYR 45 N 0.37 -0.69 -0.83 0.00 3.20 -0.44 0.12 116.97 118.70 3iq3 h TYR 45 Ca 0.00 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.97 3iq3 h TYR 45 Cb 1.11 0.28 -0.07 0.00 1.54 0.00 0.00 36.73 39.59 3iq3 h TYR 45 CO 0.04 -0.36 0.48 0.28 -1.64 0.00 0.00 178.16 176.96 3iq3 h VAL 46 N -0.49 0.93 -0.19 1.81 2.07 -0.49 0.08 116.25 119.97 3iq3 h VAL 46 Ca 0.02 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3iq3 h VAL 46 Cb 0.49 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3iq3 h VAL 46 CO -0.12 0.15 0.11 -0.74 0.02 0.00 0.00 177.57 176.99 3iq3 h HIS 47 N 0.82 0.24 -0.74 1.57 -0.00 -0.51 0.33 115.15 116.87 3iq3 h HIS 47 Ca 0.39 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.71 3iq3 h HIS 47 Cb 0.33 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.63 3iq3 h HIS 47 CO -0.05 0.20 0.25 0.87 -0.00 0.00 0.00 177.93 179.19 3iq3 h LYS 48 N 0.22 1.14 -0.01 5.26 1.57 0.15 0.22 116.57 125.12 3iq3 h LYS 48 Ca 0.07 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 3iq3 h LYS 48 Cb 0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3iq3 h LYS 48 CO -0.01 0.95 -0.22 0.00 -0.57 0.00 0.00 179.45 179.60 3iq3 h TYR 51 N 0.89 1.15 0.00 0.00 -1.99 0.19 -2.43 116.97 114.78 3iq3 h TYR 51 Ca 0.20 -0.21 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3iq3 h TYR 51 Cb 0.26 -0.29 -0.00 0.00 2.00 0.00 0.00 36.73 38.69 3iq3 h TYR 51 CO 0.02 1.03 -0.03 0.87 -0.00 0.00 0.00 178.16 180.04 3iq3 h LYS 52 N 0.95 0.00 0.00 4.88 1.57 -0.85 -1.47 116.57 121.65 3iq3 h LYS 52 Ca 0.16 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.83 3iq3 h LYS 52 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3iq3 h LYS 52 CO 0.04 0.03 -0.53 0.87 -0.57 0.00 0.00 179.45 179.29 3iq3 h LYS 53 N 0.00 0.00 -6.81 3.15 1.57 -1.21 -3.46 116.57 109.80 3iq3 h LYS 53 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 3iq3 h LYS 53 Cb 0.20 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.57 3iq3 h LYS 53 CO 0.00 0.53 0.70 -0.51 -0.57 0.00 0.00 179.45 179.61 3iq3 s LEU 54 N -7.23 4.40 -0.04 2.94 1.43 -0.56 -5.03 118.68 114.60 3iq3 s LEU 54 Ca -0.00 2.69 0.01 0.00 -1.03 0.00 0.00 54.13 55.79 3iq3 s LEU 54 Cb 0.11 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.72 3iq3 s LEU 54 CO 0.73 -0.63 -0.03 0.42 0.23 0.00 0.00 176.35 177.07 3iq3 s THR 55 N -0.57 0.42 0.00 5.49 -4.23 -1.26 -4.85 115.64 110.64 3iq3 s THR 55 Ca 0.54 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 3iq3 s THR 55 Cb -0.41 -0.46 0.00 0.00 1.34 0.00 0.00 72.50 72.97 3iq3 s THR 55 CO 0.49 0.19 0.00 0.61 -0.54 0.00 0.00 174.62 175.37 3iq3 n GLY 56 N 3.94 1.95 3.39 3.99 0.00 -1.26 -4.56 105.19 112.64 3iq3 n GLY 56 Ca -0.25 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 3iq3 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iq3 s ASN 58 N -2.82 6.00 0.45 0.00 3.84 -1.26 -4.97 114.94 116.18 3iq3 s ASN 58 Ca 0.05 -0.97 0.11 0.00 0.21 0.00 0.00 52.86 52.26 3iq3 s ASN 58 Cb 0.01 -2.12 1.00 0.00 -0.55 0.00 0.00 41.25 39.59 3iq3 s ASN 58 CO -0.09 -0.45 2.05 1.55 -2.79 0.00 0.00 177.10 177.37 3iq3 h PRO 59 N 8.58 0.23 0.02 0.43 0.13 -1.93 0.17 132.00 139.62 3iq3 h PRO 59 Ca -0.27 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 64.64 3iq3 h PRO 59 Cb 1.11 -0.05 0.02 0.00 0.13 0.00 0.00 31.00 32.21 3iq3 h PRO 59 CO 0.72 0.22 -0.78 0.87 -0.23 0.00 0.00 178.00 178.80 3iq3 h LYS 60 N 0.23 0.50 0.00 0.86 1.79 -1.93 -3.33 116.57 114.69 3iq3 h LYS 60 Ca 0.06 -0.56 -0.36 0.00 -2.18 0.00 0.00 60.65 57.61 3iq3 h LYS 60 Cb 0.09 0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 30.84 3iq3 h LYS 60 CO -0.00 1.19 -2.37 1.17 -1.08 0.00 0.00 179.45 178.36 3iq3 n LYS 61 N -4.09 0.75 -2.63 3.15 4.81 -0.97 -1.59 118.16 117.59 3iq3 n LYS 61 Ca -0.11 0.03 -0.43 0.00 -0.87 0.00 0.00 58.31 56.93 3iq3 n LYS 61 Cb 0.76 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 34.28 3iq3 n LYS 61 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3iq3 s ASP 62 N -5.68 7.17 0.54 3.14 1.01 0.54 -4.67 116.67 118.72 3iq3 s ASP 62 Ca -0.16 1.55 -0.17 0.00 0.71 0.00 0.00 52.55 54.48 3iq3 s ASP 62 Cb 0.07 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.38 3iq3 s ASP 62 CO 0.75 -0.54 1.02 -0.13 0.21 0.00 0.00 175.17 176.48 3iq3 s ARG 63 N 2.39 3.71 0.17 8.23 0.52 -1.26 0.86 118.95 133.57 3iq3 s ARG 63 Ca 0.49 1.08 -0.07 0.00 -0.52 0.00 0.00 55.73 56.71 3iq3 s ARG 63 Cb -0.19 -2.09 -0.02 0.00 0.52 0.00 0.00 34.95 33.17 3iq3 s ARG 63 CO 0.16 -0.48 0.24 1.52 0.02 0.00 0.00 175.30 176.76 3iq3 s TYR 64 N -2.50 0.53 -0.07 -0.53 -0.85 -1.26 -4.78 117.35 107.89 3iq3 s TYR 64 Ca 0.61 -0.88 -0.18 0.00 -0.52 0.00 0.00 57.07 56.10 3iq3 s TYR 64 Cb -0.13 -0.15 -0.05 0.00 0.38 0.00 0.00 41.96 42.02 3iq3 s TYR 64 CO 0.32 -0.70 0.49 -1.12 -1.52 0.00 0.00 175.55 173.02 3iq3 s SER 65 N -3.00 6.77 0.23 -0.18 0.01 -1.26 -4.91 113.70 111.37 3iq3 s SER 65 Ca 0.20 0.92 -0.06 0.00 1.31 0.00 0.00 55.95 58.32 3iq3 s SER 65 Cb 0.04 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 3iq3 s SER 65 CO 0.02 0.10 0.30 -0.72 0.41 0.00 0.00 173.24 173.34 3iq3 s TYR 66 N 0.07 0.81 0.23 2.43 1.13 -1.26 -0.10 117.35 120.66 3iq3 s TYR 66 Ca 0.26 -1.09 0.08 0.00 -1.41 0.00 0.00 57.07 54.91 3iq3 s TYR 66 Cb -0.16 -0.21 -0.05 0.00 -1.10 0.00 0.00 41.96 40.44 3iq3 s TYR 66 CO 0.12 -0.82 -0.13 -1.12 -2.51 0.00 0.00 175.55 171.09 3iq3 s SER 67 N -3.10 2.74 -0.34 -0.18 0.01 0.13 -4.85 113.70 108.11 3iq3 s SER 67 Ca 0.31 -1.06 -0.03 0.00 1.31 0.00 0.00 55.95 56.48 3iq3 s SER 67 Cb 0.03 -0.16 0.07 0.00 0.21 0.00 0.00 66.02 66.17 3iq3 s SER 67 CO 0.11 -0.19 0.08 0.86 0.41 0.00 0.00 173.24 174.52 3iq3 s TRP 68 N -2.93 3.37 -0.09 2.43 -0.11 -1.26 0.26 118.94 120.62 3iq3 s TRP 68 Ca 0.25 -1.99 -0.00 0.00 1.22 0.00 0.00 56.10 55.58 3iq3 s TRP 68 Cb -0.00 -2.50 0.02 0.00 -1.50 0.00 0.00 33.47 29.49 3iq3 s TRP 68 CO 0.09 -0.85 -0.07 0.15 -4.62 0.00 0.00 176.95 171.66 3iq3 s LYS 69 N 1.24 1.34 -1.46 5.86 -0.14 -0.05 -4.68 119.74 121.84 3iq3 s LYS 69 Ca -0.00 -0.20 -0.01 0.00 -1.36 0.00 0.00 55.97 54.39 3iq3 s LYS 69 Cb -0.21 -1.39 0.01 0.00 -1.68 0.00 0.00 37.83 34.57 3iq3 s LYS 69 CO -0.02 -0.21 0.36 -0.25 -0.76 0.00 0.00 175.35 174.47 3iq3 n ASP 70 N 4.73 -0.24 -3.85 2.83 8.00 -1.26 -0.83 116.55 125.92 3iq3 n ASP 70 Ca -0.14 -1.06 -0.30 0.00 0.71 0.00 0.00 54.79 53.99 3iq3 n ASP 70 Cb 0.50 -2.73 0.01 0.00 -0.02 0.00 0.00 41.12 38.89 3iq3 n ASP 70 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3iq3 n LYS 71 N -4.44 -4.66 -4.53 -1.24 5.02 -1.26 -4.94 118.16 102.11 3iq3 n LYS 71 Ca -0.29 0.54 -0.21 0.00 -2.02 0.00 0.00 58.31 56.34 3iq3 n LYS 71 Cb 0.68 -5.37 -0.15 0.00 -0.02 0.00 0.00 35.03 30.16 3iq3 n LYS 71 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3iq3 s THR 72 N -3.22 0.99 -0.16 -0.18 2.01 -0.01 -5.10 115.64 109.97 3iq3 s THR 72 Ca 0.63 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 3iq3 s THR 72 Cb -0.32 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 3iq3 s THR 72 CO 0.78 0.24 1.20 -0.63 -0.69 0.00 0.00 174.62 175.51 3iq3 s ILE 73 N -0.36 4.38 -0.30 1.82 1.01 -1.26 -0.87 121.20 125.61 3iq3 s ILE 73 Ca 0.04 1.67 -0.00 0.00 0.00 0.00 0.00 60.65 62.36 3iq3 s ILE 73 Cb -0.05 -4.08 0.06 0.00 0.01 0.00 0.00 42.46 38.40 3iq3 s ILE 73 CO -0.00 -0.12 -0.02 -0.69 0.00 0.00 0.00 174.94 174.11 3iq3 s VAL 74 N 3.19 2.75 0.35 2.92 1.01 0.14 -4.95 120.40 125.82 3iq3 s VAL 74 Ca 0.52 -1.54 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 3iq3 s VAL 74 Cb -0.21 -2.63 -0.11 0.00 0.00 0.00 0.00 36.38 33.43 3iq3 s VAL 74 CO 0.14 -0.14 1.49 0.00 0.00 0.00 0.00 175.10 176.59 3iq3 n GLY 76 N 0.87 5.81 3.08 0.00 0.00 0.86 -4.81 105.19 110.99 3iq3 n GLY 76 Ca 0.03 -2.71 -0.16 0.00 0.00 0.00 0.00 46.02 43.18 3iq3 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iq3 s GLU 77 N -3.52 0.66 -0.12 1.61 0.41 -1.26 -4.49 118.70 111.99 3iq3 s GLU 77 Ca 0.47 -0.66 0.16 0.00 -0.41 0.00 0.00 54.97 54.53 3iq3 s GLU 77 Cb 0.40 -0.57 -0.23 0.00 -1.78 0.00 0.00 34.13 31.95 3iq3 s GLU 77 CO -0.18 0.13 0.17 -1.71 -0.49 0.00 0.00 175.26 173.19 3iq3 n ASN 78 N 1.89 0.87 -4.67 -0.19 5.15 -1.26 -4.64 115.26 112.41 3iq3 n ASN 78 Ca -0.19 0.00 -0.52 0.00 -0.60 0.00 0.00 54.58 53.27 3iq3 n ASN 78 Cb 0.55 1.22 -0.06 0.00 -0.53 0.00 0.00 39.78 40.97 3iq3 n ASN 78 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3iq3 n ASN 79 N -2.45 2.63 -0.31 1.20 2.85 -1.26 -4.82 115.26 113.10 3iq3 n ASN 79 Ca -0.19 1.06 0.00 0.00 -0.11 0.00 0.00 54.58 55.34 3iq3 n ASN 79 Cb 0.85 -1.26 0.14 0.00 1.24 0.00 0.00 39.78 40.75 3iq3 n ASN 79 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3iq3 h PRO 80 N 6.99 0.96 -0.08 1.20 0.11 -1.97 0.15 132.00 139.36 3iq3 h PRO 80 Ca -0.47 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 3iq3 h PRO 80 Cb 1.30 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3iq3 h PRO 80 CO 0.91 0.63 -0.03 0.00 -0.21 0.00 0.00 178.00 179.30 3iq3 h LEU 82 N -0.21 0.24 0.07 0.00 3.38 -1.84 0.32 115.31 117.26 3iq3 h LEU 82 Ca 0.02 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3iq3 h LEU 82 Cb 0.47 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3iq3 h LEU 82 CO 0.01 0.50 -0.03 0.50 0.09 0.00 0.00 178.44 179.51 3iq3 h LYS 83 N 0.22 -0.09 -0.64 1.13 1.63 -0.63 0.17 116.57 118.37 3iq3 h LYS 83 Ca 0.03 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.81 3iq3 h LYS 83 Cb 0.57 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.19 3iq3 h LYS 83 CO 0.04 0.25 0.29 0.93 -3.45 0.00 0.00 179.45 177.51 3iq3 h GLU 84 N -0.43 0.91 -0.13 1.90 4.39 -0.91 0.29 114.58 120.60 3iq3 h GLU 84 Ca -0.01 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 3iq3 h GLU 84 Cb 0.37 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3iq3 h GLU 84 CO 0.01 0.72 0.07 1.25 -1.16 0.00 0.00 179.01 179.90 3iq3 h LEU 85 N 0.90 0.17 -0.81 1.33 5.85 -0.19 0.46 115.31 123.03 3iq3 h LEU 85 Ca 0.22 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.89 3iq3 h LEU 85 Cb 0.12 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 3iq3 h LEU 85 CO -0.03 0.23 0.49 0.00 -0.34 0.00 0.00 178.44 178.79 3iq3 h GLU 87 N 0.88 0.17 -0.46 0.00 4.39 0.41 0.41 114.58 120.39 3iq3 h GLU 87 Ca 0.36 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.96 3iq3 h GLU 87 Cb 0.19 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3iq3 h GLU 87 CO -0.18 0.64 0.30 0.00 -1.16 0.00 0.00 179.01 178.60 3iq3 h ASP 89 N 0.62 0.51 -0.35 0.00 3.32 -0.27 -1.06 116.42 119.19 3iq3 h ASP 89 Ca 0.17 -0.45 0.05 0.00 0.02 0.00 0.00 57.03 56.82 3iq3 h ASP 89 Cb -0.04 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 3iq3 h ASP 89 CO -0.03 0.85 0.09 0.50 -1.72 0.00 0.00 179.24 178.92 3iq3 h LYS 90 N 0.18 0.21 -0.69 3.56 3.64 -0.07 -1.32 116.57 122.08 3iq3 h LYS 90 Ca 0.04 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3iq3 h LYS 90 Cb 0.68 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 3iq3 h LYS 90 CO 0.04 0.14 0.45 0.00 -2.27 0.00 0.00 179.45 177.81 3iq3 h ALA 91 N 1.25 0.88 -0.55 5.00 0.00 -0.59 0.05 119.26 125.31 3iq3 h ALA 91 Ca 0.17 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3iq3 h ALA 91 Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3iq3 h ALA 91 CO -0.20 0.27 -0.07 -0.24 0.00 0.00 0.00 179.25 179.00 3iq3 h VAL 92 N 0.90 1.27 -0.15 0.00 3.04 -0.77 0.22 116.25 120.76 3iq3 h VAL 92 Ca 0.26 -1.22 -0.01 0.00 -1.01 0.00 0.00 66.70 64.73 3iq3 h VAL 92 Cb -0.07 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 30.12 3iq3 h VAL 92 CO -0.07 0.43 0.07 0.00 -1.01 0.00 0.00 177.57 176.99 3iq3 h ALA 93 N 1.00 0.19 -0.18 3.17 0.00 -0.45 0.26 119.26 123.25 3iq3 h ALA 93 Ca 0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3iq3 h ALA 93 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3iq3 h ALA 93 CO 0.04 -0.25 0.11 0.82 0.00 0.00 0.00 179.25 179.96 3iq3 h ILE 94 N 0.11 1.09 -0.84 0.00 2.04 -0.82 -0.77 117.51 118.31 3iq3 h ILE 94 Ca 0.05 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.75 3iq3 h ILE 94 Cb 0.12 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 3iq3 h ILE 94 CO -0.01 0.08 0.52 0.00 0.00 0.00 0.00 178.15 178.74 3iq3 h LEU 96 N 0.94 0.80 -0.23 0.00 3.38 0.03 -1.53 115.31 118.71 3iq3 h LEU 96 Ca 0.37 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3iq3 h LEU 96 Cb 0.18 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3iq3 h LEU 96 CO -0.18 0.81 0.13 -0.09 0.09 0.00 0.00 178.44 179.21 3iq3 h ARG 97 N 0.75 0.26 0.00 1.13 2.43 -0.26 -2.01 114.38 116.69 3iq3 h ARG 97 Ca 0.17 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3iq3 h ARG 97 Cb 0.32 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3iq3 h ARG 97 CO -0.00 0.17 0.00 0.93 -1.51 0.00 0.00 179.97 179.56 3iq3 h GLU 98 N 0.27 0.00 -0.15 0.20 5.08 -0.24 -1.99 114.58 117.75 3iq3 h GLU 98 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3iq3 h GLU 98 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3iq3 h GLU 98 CO -0.05 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.05 3iq3 n ASN 99 N -2.83 2.46 0.07 1.42 3.02 -0.64 -4.50 115.26 114.26 3iq3 n ASN 99 Ca -0.01 -2.07 0.18 0.00 -0.03 0.00 0.00 54.58 52.65 3iq3 n ASN 99 Cb 0.13 -0.13 0.70 0.00 -0.61 0.00 0.00 39.78 39.87 3iq3 n ASN 99 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3iq3 h LEU 100 N 0.91 0.00 -2.23 3.41 3.38 -0.64 -1.82 115.31 118.32 3iq3 h LEU 100 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3iq3 h LEU 100 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3iq3 h LEU 100 CO 0.01 0.00 -0.04 1.23 0.09 0.00 0.00 178.44 179.73 3iq3 h GLY 101 N 0.00 0.00 -0.67 0.83 0.00 -1.80 -2.37 103.07 99.06 3iq3 h GLY 101 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3iq3 h GLY 101 CO -0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 3iq3 n THR 102 N -3.96 0.88 -1.65 4.70 -2.24 -0.74 -5.02 114.28 106.25 3iq3 n THR 102 Ca -0.03 -0.94 -0.46 0.00 -2.27 0.00 0.00 64.05 60.35 3iq3 n THR 102 Cb 0.12 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.90 3iq3 n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iq3 n TYR 103 N 0.09 2.03 -3.89 4.78 4.19 -0.89 -4.89 117.16 118.57 3iq3 n TYR 103 Ca 0.06 0.43 -0.28 0.00 3.31 0.00 0.00 57.90 61.42 3iq3 n TYR 103 Cb 0.32 -2.45 -0.17 0.00 0.49 0.00 0.00 39.34 37.53 3iq3 n TYR 103 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 3iq3 s ASN 104 N 0.47 2.72 0.66 2.98 3.84 -1.26 -5.00 114.94 119.35 3iq3 s ASN 104 Ca 0.74 -0.60 0.35 0.00 0.21 0.00 0.00 52.86 53.56 3iq3 s ASN 104 Cb -0.71 -0.90 1.94 0.00 -0.55 0.00 0.00 41.25 41.03 3iq3 s ASN 104 CO 0.46 -0.17 2.12 0.11 -2.79 0.00 0.00 177.10 176.82 3iq3 h LYS 105 N 8.13 0.00 0.00 0.43 1.57 -1.98 0.12 116.57 124.84 3iq3 h LYS 105 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3iq3 h LYS 105 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3iq3 h LYS 105 CO 0.40 0.00 0.00 1.57 -0.57 0.00 0.00 179.45 180.85 3iq3 h LYS 106 N 0.00 0.00 -0.01 3.15 2.10 -2.01 0.88 116.57 120.68 3iq3 h LYS 106 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3iq3 h LYS 106 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 3iq3 h LYS 106 CO -0.00 0.00 -0.21 0.66 -2.00 0.00 0.00 179.45 177.90 3iq3 n TYR 107 N -2.36 0.00 -2.08 0.07 0.53 0.03 -4.63 117.16 108.73 3iq3 n TYR 107 Ca 0.01 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.47 3iq3 n TYR 107 Cb 0.18 -0.06 -0.03 0.00 -1.03 0.00 0.00 39.34 38.40 3iq3 n TYR 107 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 3iq3 s ARG 108 N -2.33 4.28 -1.28 -0.72 0.52 0.30 -0.17 118.95 119.55 3iq3 s ARG 108 Ca 0.27 2.19 -0.03 0.00 -0.52 0.00 0.00 55.73 57.64 3iq3 s ARG 108 Cb 0.20 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.43 3iq3 s ARG 108 CO 0.46 -0.52 0.35 0.66 0.02 0.00 0.00 175.30 176.28 3iq3 n TYR 109 N 4.08 -1.35 -1.72 -0.53 4.02 0.32 -4.92 117.16 117.06 3iq3 n TYR 109 Ca 0.13 0.30 -0.42 0.00 -0.01 0.00 0.00 57.90 57.90 3iq3 n TYR 109 Cb 0.41 -3.67 -0.01 0.00 -0.02 0.00 0.00 39.34 36.05 3iq3 n TYR 109 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 3iq3 n HIS 110 N -4.19 2.57 -3.01 -0.72 -0.00 -0.91 -4.94 115.22 104.04 3iq3 n HIS 110 Ca -0.12 0.45 -0.40 0.00 0.46 0.00 0.00 57.72 58.11 3iq3 n HIS 110 Cb 0.61 -2.49 -0.05 0.00 -0.12 0.00 0.00 29.99 27.94 3iq3 n HIS 110 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3iq3 s LEU 111 N -1.04 4.27 0.32 0.27 1.43 -1.26 -4.85 118.68 117.83 3iq3 s LEU 111 Ca 0.58 1.17 0.09 0.00 -1.03 0.00 0.00 54.13 54.94 3iq3 s LEU 111 Cb -0.54 -3.12 0.86 0.00 0.03 0.00 0.00 46.19 43.42 3iq3 s LEU 111 CO 0.58 -0.19 1.73 0.50 0.23 0.00 0.00 176.35 179.20 3iq3 h LYS 112 N 6.95 0.57 0.00 1.70 1.63 -1.91 -0.07 116.57 125.44 3iq3 h LYS 112 Ca -0.38 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 3iq3 h LYS 112 Cb 1.18 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 3iq3 h LYS 112 CO 0.77 0.38 0.00 -0.35 -3.45 0.00 0.00 179.45 176.80 3iq3 n PRO 113 N -4.88 0.10 0.00 1.90 -0.04 -1.26 -0.19 135.00 130.62 3iq3 n PRO 113 Ca 0.26 0.51 0.14 0.00 -0.04 0.00 0.00 63.50 64.37 3iq3 n PRO 113 Cb 0.72 -1.76 0.53 0.00 -0.04 0.00 0.00 33.50 32.94 3iq3 n PRO 113 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3iq3 n PHE 114 N -1.96 0.00 -3.09 0.54 3.72 -0.04 -4.86 117.46 111.77 3iq3 n PHE 114 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 3iq3 n PHE 114 Cb 0.09 -0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 38.52 3iq3 n PHE 114 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iq3 s LYS 116 N 1.61 3.65 0.31 0.00 1.02 -1.26 -4.89 119.74 120.18 3iq3 s LYS 116 Ca 0.31 0.59 -0.29 0.00 0.02 0.00 0.00 55.97 56.60 3iq3 s LYS 116 Cb -0.16 -2.20 -0.12 0.00 -0.52 0.00 0.00 37.83 34.82 3iq3 s LYS 116 CO 0.12 -0.37 1.46 1.17 -0.92 0.00 0.00 175.35 176.81 3iq3 n LYS 117 N -2.31 2.42 -2.47 1.68 4.81 -1.26 0.39 118.16 121.43 3iq3 n LYS 117 Ca 0.04 0.86 -0.34 0.00 -0.87 0.00 0.00 58.31 58.00 3iq3 n LYS 117 Cb 0.54 -2.55 -0.03 0.00 0.02 0.00 0.00 35.03 33.01 3iq3 n LYS 117 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3iq3 s ALA 118 N -0.55 2.84 0.59 3.14 0.00 -1.26 -3.78 121.76 122.74 3iq3 s ALA 118 Ca 0.60 0.60 -0.18 0.00 0.00 0.00 0.00 51.96 52.98 3iq3 s ALA 118 Cb -0.54 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 3iq3 s ALA 118 CO 0.56 -0.40 1.14 -0.51 0.00 0.00 0.00 175.76 176.55 3iq3 s ASP 119 N -2.06 5.44 0.55 0.00 1.01 -1.26 -4.88 116.67 115.47 3iq3 s ASP 119 Ca 0.67 2.17 -0.21 0.00 0.71 0.00 0.00 52.55 55.90 3iq3 s ASP 119 Cb -0.17 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.14 3iq3 s ASP 119 CO 0.22 -1.41 1.29 -2.84 0.21 0.00 0.00 175.17 172.64 3iq3 s PRO 120 N -3.51 3.14 0.00 8.23 0.02 -1.26 -5.06 135.00 136.56 3iq3 s PRO 120 Ca 0.72 2.07 0.03 0.00 0.02 0.00 0.00 61.00 63.84 3iq3 s PRO 120 Cb -0.24 -2.17 0.17 0.00 0.02 0.00 0.00 34.50 32.27 3iq3 s PRO 120 CO 0.32 -1.14 0.65 0.00 -0.33 0.00 0.00 177.00 176.50