#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iq0 s SER -1 N 0.00 7.11 0.04 1.45 0.15 -1.26 -4.71 113.70 116.48 3iq0 s SER -1 Ca 0.00 1.94 0.05 0.00 0.70 0.00 0.00 55.95 58.64 3iq0 s SER -1 Cb 0.00 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.71 3iq0 s SER -1 CO 0.00 -0.46 -0.16 -0.54 1.20 0.00 0.00 173.24 173.28 3iq0 s LYS 3 N 1.26 1.08 -0.17 5.44 1.02 -0.37 -4.67 119.74 123.33 3iq0 s LYS 3 Ca 0.57 -0.79 -0.14 0.00 0.02 0.00 0.00 55.97 55.64 3iq0 s LYS 3 Cb -0.28 -1.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.87 3iq0 s LYS 3 CO 0.28 0.28 0.30 0.08 -0.92 0.00 0.00 175.35 175.37 3iq0 s VAL 4 N -0.79 5.30 0.19 3.17 1.01 -0.87 -2.67 120.40 125.74 3iq0 s VAL 4 Ca 0.04 0.56 0.09 0.00 0.00 0.00 0.00 61.98 62.67 3iq0 s VAL 4 Cb -0.08 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3iq0 s VAL 4 CO 0.01 0.37 -0.19 -0.36 0.00 0.00 0.00 175.10 174.94 3iq0 s PHE 5 N 0.58 1.94 0.27 5.22 0.08 -0.25 -1.14 117.98 124.67 3iq0 s PHE 5 Ca 0.17 -0.45 0.02 0.00 0.12 0.00 0.00 56.93 56.79 3iq0 s PHE 5 Cb -0.13 -0.93 -0.03 0.00 -0.57 0.00 0.00 43.02 41.36 3iq0 s PHE 5 CO 0.04 0.42 0.23 -0.08 -0.10 0.00 0.00 175.22 175.73 3iq0 s THR 6 N -2.25 0.00 0.02 0.64 -1.32 -1.09 -0.63 115.64 111.00 3iq0 s THR 6 Ca 0.20 -1.96 -0.15 0.00 -1.21 0.00 0.00 61.69 58.57 3iq0 s THR 6 Cb -0.05 -2.50 0.02 0.00 -1.51 0.00 0.00 72.50 68.47 3iq0 s THR 6 CO 0.08 0.00 0.33 -0.51 -2.21 0.00 0.00 174.62 172.31 3iq0 s ILE 7 N -3.76 0.07 -5.00 5.08 2.07 -1.24 -1.87 121.20 116.54 3iq0 s ILE 7 Ca 0.39 -0.56 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 3iq0 s ILE 7 Cb 0.04 -0.82 0.00 0.00 0.13 0.00 0.00 42.46 41.82 3iq0 s ILE 7 CO 0.20 -0.31 0.00 0.61 -1.91 0.00 0.00 174.94 173.53 3iq0 n GLY 8 N 0.85 0.58 3.78 1.50 0.00 -0.96 -4.79 105.19 106.15 3iq0 n GLY 8 Ca -0.20 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 3iq0 n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iq0 s GLU 9 N -2.00 4.43 -0.10 1.61 1.03 -1.26 -4.41 118.70 118.00 3iq0 s GLU 9 Ca 0.00 0.99 0.02 0.00 0.03 0.00 0.00 54.97 56.01 3iq0 s GLU 9 Cb 0.00 -3.27 0.02 0.00 -0.80 0.00 0.00 34.13 30.07 3iq0 s GLU 9 CO 0.00 0.54 -0.14 0.42 -1.33 0.00 0.00 175.26 174.75 3iq0 s ILE 10 N -0.92 1.41 0.29 1.83 1.01 -1.26 -4.26 121.20 119.30 3iq0 s ILE 10 Ca 0.34 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 3iq0 s ILE 10 Cb -0.21 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 3iq0 s ILE 10 CO 0.23 0.42 0.40 -1.48 0.00 0.00 0.00 174.94 174.51 3iq0 s LEU 11 N 0.99 0.92 0.10 2.97 2.34 -0.96 -4.19 118.68 120.87 3iq0 s LEU 11 Ca -0.07 -1.35 0.07 0.00 0.06 0.00 0.00 54.13 52.84 3iq0 s LEU 11 Cb -0.15 1.28 -0.04 0.00 -0.56 0.00 0.00 46.19 46.72 3iq0 s LEU 11 CO -0.01 -1.16 -0.10 0.68 -1.06 0.00 0.00 176.35 174.69 3iq0 s VAL 12 N -3.51 3.35 -0.07 1.48 -7.23 -0.97 -0.25 120.40 113.21 3iq0 s VAL 12 Ca 0.31 -1.27 0.03 0.00 -1.81 0.00 0.00 61.98 59.24 3iq0 s VAL 12 Cb 0.01 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 3iq0 s VAL 12 CO 0.17 0.12 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.22 3iq0 s GLU 13 N -2.19 2.67 0.40 4.82 2.12 0.59 -0.98 118.70 126.14 3iq0 s GLU 13 Ca 0.21 -0.72 0.07 0.00 0.36 0.00 0.00 54.97 54.89 3iq0 s GLU 13 Cb -0.11 -2.39 -0.07 0.00 0.26 0.00 0.00 34.13 31.81 3iq0 s GLU 13 CO 0.13 0.51 0.02 0.42 -0.54 0.00 0.00 175.26 175.81 3iq0 s ILE 14 N -0.44 2.09 -0.06 -3.70 1.09 0.21 -1.09 121.20 119.29 3iq0 s ILE 14 Ca 0.05 -1.98 0.03 0.00 -1.10 0.00 0.00 60.65 57.66 3iq0 s ILE 14 Cb -0.12 -2.96 -0.02 0.00 -1.06 0.00 0.00 42.46 38.30 3iq0 s ILE 14 CO 0.02 -0.03 -0.16 0.00 -0.10 0.00 0.00 174.94 174.68 3iq0 s ALA 16 N -2.68 2.59 0.01 9.38 0.00 -0.18 -1.99 121.76 128.89 3iq0 s ALA 16 Ca 0.36 -0.98 0.23 0.00 0.00 0.00 0.00 51.96 51.57 3iq0 s ALA 16 Cb 0.08 -0.96 0.75 0.00 0.00 0.00 0.00 23.12 23.00 3iq0 s ALA 16 CO 0.19 0.50 1.75 0.66 0.00 0.00 0.00 175.76 178.86 3iq0 h SER 17 N 5.60 0.00 -4.50 0.00 4.64 -1.68 -3.45 113.55 114.15 3iq0 h SER 17 Ca -0.42 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.51 3iq0 h SER 17 Cb 1.16 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.03 3iq0 h SER 17 CO 0.51 0.22 -0.77 -0.54 -0.87 0.00 0.00 176.83 175.37 3iq0 s LYS 18 N -3.48 0.78 0.18 4.77 1.02 -1.26 -5.08 119.74 116.67 3iq0 s LYS 18 Ca 0.02 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 54.82 3iq0 s LYS 18 Cb 0.09 -0.75 -0.08 0.00 -0.52 0.00 0.00 37.83 36.57 3iq0 s LYS 18 CO 0.65 0.17 1.20 0.42 -0.92 0.00 0.00 175.35 176.87 3iq0 s ILE 19 N -1.23 3.56 0.00 2.17 1.09 -1.26 -2.48 121.20 123.04 3iq0 s ILE 19 Ca -0.03 1.31 0.00 0.00 -1.10 0.00 0.00 60.65 60.83 3iq0 s ILE 19 Cb -0.10 -3.84 0.00 0.00 -1.06 0.00 0.00 42.46 37.47 3iq0 s ILE 19 CO 0.02 0.21 0.00 0.61 -0.10 0.00 0.00 174.94 175.67 3iq0 n GLY 20 N 2.22 0.75 3.67 6.18 0.00 -1.23 -5.00 105.19 111.77 3iq0 n GLY 20 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3iq0 n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iq0 s GLN 21 N -0.54 4.30 0.65 1.61 0.74 -1.04 -5.03 119.66 120.35 3iq0 s GLN 21 Ca 0.00 1.44 -0.10 0.00 0.05 0.00 0.00 55.36 56.75 3iq0 s GLN 21 Cb 0.00 -3.63 -0.01 0.00 1.10 0.00 0.00 33.01 30.47 3iq0 s GLN 21 CO 0.00 -0.56 1.03 -1.25 -0.55 0.00 0.00 175.29 173.96 3iq0 s PRO 22 N 2.92 3.13 0.32 1.67 0.04 -1.26 -4.75 135.00 137.06 3iq0 s PRO 22 Ca 0.48 0.47 0.22 0.00 0.04 0.00 0.00 61.00 62.21 3iq0 s PRO 22 Cb -0.17 -2.09 0.16 0.00 0.04 0.00 0.00 34.50 32.43 3iq0 s PRO 22 CO 0.11 -0.80 1.32 0.74 0.04 0.00 0.00 177.00 178.41 3iq0 h PHE 23 N -0.44 0.00 -0.74 0.56 0.04 -2.00 -3.36 116.94 111.00 3iq0 h PHE 23 Ca -0.45 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.03 3iq0 h PHE 23 Cb 1.23 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 39.21 3iq0 h PHE 23 CO 0.55 0.03 0.37 -0.40 -0.60 0.00 0.00 178.31 178.26 3iq0 n ASP 24 N -2.90 4.16 -3.76 2.17 5.75 -1.26 -4.89 116.55 115.82 3iq0 n ASP 24 Ca 0.02 -3.19 -0.13 0.00 -0.01 0.00 0.00 54.79 51.48 3iq0 n ASP 24 Cb 0.55 -0.75 -0.10 0.00 -1.03 0.00 0.00 41.12 39.80 3iq0 n ASP 24 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3iq0 s GLN 25 N -2.73 0.54 0.50 0.11 -0.21 -1.26 -5.15 119.66 111.46 3iq0 s GLN 25 Ca 0.48 0.09 -0.22 0.00 0.02 0.00 0.00 55.36 55.73 3iq0 s GLN 25 Cb 0.40 0.25 -0.06 0.00 1.00 0.00 0.00 33.01 34.59 3iq0 s GLN 25 CO 0.11 -0.12 1.26 -1.25 -2.12 0.00 0.00 175.29 173.17 3iq0 s PRO 26 N -0.67 3.45 0.00 2.91 0.04 -1.26 -4.87 135.00 134.60 3iq0 s PRO 26 Ca -0.08 2.00 0.00 0.00 0.04 0.00 0.00 61.00 62.97 3iq0 s PRO 26 Cb -0.04 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.17 3iq0 s PRO 26 CO 0.02 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.61 3iq0 n GLY 27 N 0.58 1.86 3.57 0.56 0.00 -1.26 -5.07 105.19 105.44 3iq0 n GLY 27 Ca 0.09 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 3iq0 n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iq0 s ILE 28 N -2.57 3.82 0.13 -0.61 1.01 -1.26 -5.09 121.20 116.64 3iq0 s ILE 28 Ca 0.00 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.31 3iq0 s ILE 28 Cb 0.00 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 3iq0 s ILE 28 CO 0.00 0.57 -0.18 0.26 0.00 0.00 0.00 174.94 175.60 3iq0 s TRP 29 N -0.51 1.68 -0.09 3.97 0.52 -1.26 -1.76 118.94 121.49 3iq0 s TRP 29 Ca 0.08 -0.48 0.04 0.00 0.02 0.00 0.00 56.10 55.76 3iq0 s TRP 29 Cb -0.12 -0.87 -0.01 0.00 -1.15 0.00 0.00 33.47 31.32 3iq0 s TRP 29 CO 0.02 0.24 -0.21 -0.80 0.02 0.00 0.00 176.95 176.23 3iq0 s ASN 30 N -2.38 3.40 0.00 2.95 0.01 -1.26 -4.87 114.94 112.78 3iq0 s ASN 30 Ca 0.11 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 51.80 3iq0 s ASN 30 Cb -0.07 -1.24 0.00 0.00 0.41 0.00 0.00 41.25 40.36 3iq0 s ASN 30 CO 0.05 0.20 0.00 0.61 -1.51 0.00 0.00 177.10 176.45 3iq0 n GLY 31 N 3.24 -0.77 3.83 0.66 0.00 -1.26 -4.43 105.19 106.45 3iq0 n GLY 31 Ca -0.18 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 3iq0 n GLY 31 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iq0 s PRO 32 N -2.00 3.24 -0.03 1.61 0.04 -1.26 -5.08 135.00 131.52 3iq0 s PRO 32 Ca 0.00 0.98 0.04 0.00 0.04 0.00 0.00 61.00 62.06 3iq0 s PRO 32 Cb 0.00 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 3iq0 s PRO 32 CO 0.00 -0.86 -0.15 0.71 0.04 0.00 0.00 177.00 176.74 3iq0 s TYR 33 N -2.88 1.45 0.30 0.56 2.02 -0.25 -4.90 117.35 113.64 3iq0 s TYR 33 Ca 0.59 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.63 3iq0 s TYR 33 Cb -0.14 -0.97 -0.12 0.00 -0.40 0.00 0.00 41.96 40.34 3iq0 s TYR 33 CO 0.48 -0.10 1.61 -2.30 -1.57 0.00 0.00 175.55 173.66 3iq0 n PRO 34 N 3.02 2.74 -2.34 -1.71 -0.02 -1.26 -0.30 135.00 135.13 3iq0 n PRO 34 Ca -0.17 0.97 -0.05 0.00 -2.02 0.00 0.00 63.50 62.24 3iq0 n PRO 34 Cb 0.54 -2.76 -0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3iq0 n PRO 34 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3iq0 n SER 35 N 2.14 -0.68 0.00 2.55 2.88 0.65 -4.68 113.62 116.49 3iq0 n SER 35 Ca 0.08 -1.70 0.00 0.00 -1.33 0.00 0.00 58.87 55.93 3iq0 n SER 35 Cb 0.37 1.19 0.00 0.00 -0.75 0.00 0.00 64.21 65.02 3iq0 n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3iq0 n GLY 36 N -0.22 2.16 0.39 0.46 0.00 -1.26 -2.26 105.19 104.46 3iq0 n GLY 36 Ca -0.01 -1.09 -0.04 0.00 0.00 0.00 0.00 46.02 44.88 3iq0 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iq0 n ALA 37 N 1.52 -0.26 -0.34 4.61 0.00 -1.26 -0.24 120.51 124.54 3iq0 n ALA 37 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 53.44 54.38 3iq0 n ALA 37 Cb 0.00 -0.35 0.17 0.00 0.00 0.00 0.00 19.45 19.27 3iq0 n ALA 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3iq0 h PRO 38 N 0.00 1.18 -0.47 0.00 0.11 -1.87 -0.41 132.00 130.54 3iq0 h PRO 38 Ca 0.29 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.26 3iq0 h PRO 38 Cb 0.54 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 3iq0 h PRO 38 CO -0.96 0.78 0.00 0.00 -0.21 0.00 0.00 178.00 177.61 3iq0 h ALA 39 N 1.44 0.63 -0.48 -0.75 0.00 -0.79 -0.87 119.26 118.44 3iq0 h ALA 39 Ca 0.37 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3iq0 h ALA 39 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3iq0 h ALA 39 CO -0.11 0.43 -0.12 0.82 0.00 0.00 0.00 179.25 180.27 3iq0 h ILE 40 N 0.68 1.27 0.25 0.00 2.04 -0.69 -0.16 117.51 120.90 3iq0 h ILE 40 Ca 0.13 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.74 3iq0 h ILE 40 Cb 0.50 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3iq0 h ILE 40 CO 0.02 0.43 -0.25 0.15 0.00 0.00 0.00 178.15 178.51 3iq0 h PHE 41 N 0.77 -0.67 -0.05 1.37 3.57 -0.93 -1.82 116.94 119.19 3iq0 h PHE 41 Ca 0.12 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 3iq0 h PHE 41 Cb 0.68 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 3iq0 h PHE 41 CO 0.05 -0.37 -0.21 0.97 -2.23 0.00 0.00 178.31 176.52 3iq0 h ILE 42 N -0.54 1.18 -0.34 1.41 6.09 -1.09 -1.87 117.51 122.36 3iq0 h ILE 42 Ca -0.01 -0.82 -0.11 0.00 -1.37 0.00 0.00 64.86 62.55 3iq0 h ILE 42 Cb 0.50 1.37 -0.01 0.00 0.47 0.00 0.00 36.82 39.15 3iq0 h ILE 42 CO -0.06 0.24 -0.25 -0.78 -3.07 0.00 0.00 178.15 174.23 3iq0 h ASP 43 N 0.08 0.68 -0.25 2.19 3.58 -0.67 -1.57 116.42 120.46 3iq0 h ASP 43 Ca 0.01 -0.25 -0.13 0.00 0.42 0.00 0.00 57.03 57.08 3iq0 h ASP 43 Cb 0.42 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 3iq0 h ASP 43 CO 0.03 0.91 -0.31 -0.61 -2.88 0.00 0.00 179.24 176.38 3iq0 h GLN 44 N 0.59 0.76 -0.05 0.28 5.75 -0.68 -1.32 115.11 120.43 3iq0 h GLN 44 Ca 0.08 -0.35 -0.00 0.00 -0.15 0.00 0.00 58.65 58.23 3iq0 h GLN 44 Cb 0.74 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.27 3iq0 h GLN 44 CO 0.06 0.97 0.03 0.28 -2.65 0.00 0.00 178.83 177.51 3iq0 h VAL 45 N 0.64 1.05 0.00 2.39 2.07 -1.01 -2.59 116.25 118.81 3iq0 h VAL 45 Ca 0.07 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 3iq0 h VAL 45 Cb 0.84 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3iq0 h VAL 45 CO 0.07 0.05 -0.31 0.00 0.02 0.00 0.00 177.57 177.40 3iq0 h THR 46 N 0.01 0.99 0.00 2.57 1.03 -1.19 -2.27 112.91 114.05 3iq0 h THR 46 Ca 0.02 -1.15 0.00 0.00 -0.01 0.00 0.00 66.41 65.26 3iq0 h THR 46 Cb 0.05 1.67 0.00 0.00 -1.07 0.00 0.00 68.15 68.80 3iq0 h THR 46 CO -0.00 0.30 0.00 0.03 -0.01 0.00 0.00 175.52 175.84 3iq0 h ARG 47 N 0.00 0.00 -0.05 0.00 3.08 -0.96 -1.74 114.38 114.71 3iq0 h ARG 47 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iq0 h ARG 47 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3iq0 h ARG 47 CO 0.04 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.22 3iq0 n LEU 48 N -2.96 1.40 0.00 3.04 4.77 -0.87 -4.32 117.00 118.07 3iq0 n LEU 48 Ca 0.02 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3iq0 n LEU 48 Cb 0.35 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3iq0 n LEU 48 CO 0.28 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3iq0 n GLY 49 N 1.14 0.75 3.63 -0.72 0.00 -0.65 -4.82 105.19 104.52 3iq0 n GLY 49 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3iq0 n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iq0 s VAL 50 N -2.44 5.01 0.24 1.61 1.01 -1.13 -5.02 120.40 119.68 3iq0 s VAL 50 Ca 0.00 1.07 -0.31 0.00 0.00 0.00 0.00 61.98 62.74 3iq0 s VAL 50 Cb 0.00 -3.91 -0.13 0.00 0.00 0.00 0.00 36.38 32.34 3iq0 s VAL 50 CO 0.00 0.05 1.46 -0.81 0.00 0.00 0.00 175.10 175.80 3iq0 n PRO 51 N 5.64 2.18 -3.92 2.72 -0.04 -1.26 -4.02 135.00 136.30 3iq0 n PRO 51 Ca -0.02 0.78 -0.09 0.00 -0.04 0.00 0.00 63.50 64.13 3iq0 n PRO 51 Cb 0.49 -2.47 -0.02 0.00 -0.04 0.00 0.00 33.50 31.46 3iq0 n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iq0 s GLY 53 N -3.03 0.55 -0.05 0.00 0.00 -0.29 -0.65 107.32 103.85 3iq0 s GLY 53 Ca 0.18 -0.89 -0.05 0.00 0.00 0.00 0.00 44.72 43.96 3iq0 s GLY 53 CO 0.11 -0.63 0.14 -1.50 0.00 0.00 0.00 173.10 171.22 3iq0 s ILE 54 N -3.99 0.01 -0.29 0.90 2.07 -1.07 -2.66 121.20 116.17 3iq0 s ILE 54 Ca 0.23 -0.05 -0.07 0.00 -1.41 0.00 0.00 60.65 59.34 3iq0 s ILE 54 Cb -0.01 -0.23 0.00 0.00 0.13 0.00 0.00 42.46 42.36 3iq0 s ILE 54 CO 0.09 -0.03 0.07 -0.63 -1.91 0.00 0.00 174.94 172.54 3iq0 s ILE 55 N -0.03 3.99 0.31 2.00 1.01 -0.78 -3.70 121.20 123.99 3iq0 s ILE 55 Ca -0.01 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 59.94 3iq0 s ILE 55 Cb -0.02 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.47 3iq0 s ILE 55 CO 0.00 0.13 0.56 -0.24 0.00 0.00 0.00 174.94 175.39 3iq0 n SER 56 N 4.87 -1.61 -3.89 3.58 2.88 -0.75 -2.26 113.62 116.44 3iq0 n SER 56 Ca -0.15 -2.36 -0.17 0.00 -1.33 0.00 0.00 58.87 54.86 3iq0 n SER 56 Cb 0.49 2.75 -0.16 0.00 -0.75 0.00 0.00 64.21 66.54 3iq0 n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3iq0 s VAL 58 N 0.57 0.83 0.80 0.00 -7.23 -0.46 -4.00 120.40 110.91 3iq0 s VAL 58 Ca -0.06 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.02 3iq0 s VAL 58 Cb -0.10 -2.20 0.13 0.00 0.56 0.00 0.00 36.38 34.78 3iq0 s VAL 58 CO -0.00 -0.43 1.12 -0.83 -0.31 0.00 0.00 175.10 174.65 3iq0 s GLY 59 N -3.22 1.74 -1.29 2.32 0.00 -1.26 -0.03 107.32 105.58 3iq0 s GLY 59 Ca 0.25 -1.27 -0.05 0.00 0.00 0.00 0.00 44.72 43.66 3iq0 s GLY 59 CO 0.06 -0.68 2.39 -2.01 0.00 0.00 0.00 173.10 172.86 3iq0 n ASN 60 N -3.20 7.99 -4.04 1.64 5.15 -1.21 -4.47 115.26 117.12 3iq0 n ASN 60 Ca 0.13 -3.15 -0.15 0.00 -0.60 0.00 0.00 54.58 50.80 3iq0 n ASN 60 Cb 0.60 -1.35 -0.10 0.00 -0.53 0.00 0.00 39.78 38.40 3iq0 n ASN 60 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 3iq0 s ASP 61 N 0.35 0.85 0.58 1.20 1.47 -1.26 -5.02 116.67 114.83 3iq0 s ASP 61 Ca 0.54 -1.48 0.31 0.00 1.18 0.00 0.00 52.55 53.09 3iq0 s ASP 61 Cb 0.19 0.38 1.79 0.00 -0.34 0.00 0.00 42.92 44.94 3iq0 s ASP 61 CO -0.10 -0.87 2.22 1.23 0.68 0.00 0.00 175.17 178.33 3iq0 h GLY 62 N 2.42 0.00 1.86 2.12 0.00 -1.99 -0.76 103.07 106.72 3iq0 h GLY 62 Ca -0.34 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.84 3iq0 h GLY 62 CO 0.51 0.00 -0.68 0.74 0.00 0.00 0.00 176.54 177.11 3iq0 h PHE 63 N 0.00 0.19 -0.14 5.60 0.04 -1.96 -1.15 116.94 119.51 3iq0 h PHE 63 Ca -0.00 -0.08 -0.21 0.00 2.80 0.00 0.00 57.97 60.48 3iq0 h PHE 63 Cb 0.09 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.21 3iq0 h PHE 63 CO 0.00 0.77 -0.75 0.78 -0.60 0.00 0.00 178.31 178.52 3iq0 h GLY 64 N 1.75 0.76 1.13 -1.45 0.00 -1.40 -3.28 103.07 100.57 3iq0 h GLY 64 Ca -0.01 -1.05 -0.10 0.00 0.00 0.00 0.00 47.33 46.17 3iq0 h GLY 64 CO 0.10 0.94 -0.01 -0.55 0.00 0.00 0.00 176.54 177.02 3iq0 h ASP 65 N 0.47 1.02 -0.40 0.19 3.32 -1.05 -2.59 116.42 117.39 3iq0 h ASP 65 Ca -0.04 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.70 3iq0 h ASP 65 Cb 1.36 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 3iq0 h ASP 65 CO 0.15 1.08 0.19 -0.29 -1.72 0.00 0.00 179.24 178.65 3iq0 h ILE 66 N 0.95 1.16 -0.12 0.35 2.10 -1.27 0.94 117.51 121.62 3iq0 h ILE 66 Ca 0.17 -0.48 -0.10 0.00 1.08 0.00 0.00 64.86 65.52 3iq0 h ILE 66 Cb 0.56 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 36.91 3iq0 h ILE 66 CO 0.03 0.19 -0.33 0.78 -1.08 0.00 0.00 178.15 177.75 3iq0 h ASN 67 N 0.63 0.50 -0.81 2.19 2.35 -1.59 -2.15 115.58 116.70 3iq0 h ASN 67 Ca 0.16 -0.59 -0.03 0.00 -0.55 0.00 0.00 56.30 55.29 3iq0 h ASN 67 Cb 0.10 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 3iq0 h ASN 67 CO -0.02 1.00 0.39 0.40 -1.65 0.00 0.00 177.43 177.55 3iq0 h ILE 68 N 0.03 1.25 -0.24 2.81 2.04 -1.08 -1.59 117.51 120.74 3iq0 h ILE 68 Ca -0.01 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 3iq0 h ILE 68 Cb 0.94 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3iq0 h ILE 68 CO 0.07 0.30 0.04 0.45 0.00 0.00 0.00 178.15 179.02 3iq0 h HIS 69 N 1.15 0.41 0.20 1.37 3.86 -0.84 -1.00 115.15 120.31 3iq0 h HIS 69 Ca 0.28 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 3iq0 h HIS 69 Cb 0.12 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.48 3iq0 h HIS 69 CO 0.01 0.51 -0.10 -0.09 0.86 0.00 0.00 177.93 179.13 3iq0 h ARG 70 N 0.20 -0.26 -0.57 2.45 9.65 -1.25 0.06 114.38 124.67 3iq0 h ARG 70 Ca 0.07 0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3iq0 h ARG 70 Cb 0.32 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.93 3iq0 h ARG 70 CO 0.00 -0.12 0.33 -0.07 2.80 0.00 0.00 179.97 182.92 3iq0 h LEU 71 N -0.33 0.69 -0.32 3.80 4.07 -1.31 -1.11 115.31 120.79 3iq0 h LEU 71 Ca -0.03 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 57.84 3iq0 h LEU 71 Cb 0.25 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 3iq0 h LEU 71 CO 0.04 0.55 0.08 0.00 -1.08 0.00 0.00 178.44 178.04 3iq0 h ALA 72 N 1.16 0.43 -0.22 1.53 0.00 -1.11 -0.03 119.26 121.02 3iq0 h ALA 72 Ca 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3iq0 h ALA 72 Cb -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3iq0 h ALA 72 CO -0.04 0.09 0.06 0.00 0.00 0.00 0.00 179.25 179.37 3iq0 h ALA 73 N 0.92 1.71 -0.00 0.00 0.00 -0.79 -0.96 119.26 120.14 3iq0 h ALA 73 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iq0 h ALA 73 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3iq0 h ALA 73 CO 0.00 0.23 -0.02 -0.25 0.00 0.00 0.00 179.25 179.22 3iq0 n ASP 74 N -4.42 0.09 0.00 0.00 8.00 -0.44 -4.90 116.55 114.89 3iq0 n ASP 74 Ca 0.00 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.02 3iq0 n ASP 74 Cb 0.14 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 3iq0 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iq0 n GLY 75 N 1.20 0.80 3.78 0.44 0.00 -0.36 -4.55 105.19 106.49 3iq0 n GLY 75 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3iq0 n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iq0 s VAL 76 N -2.00 3.86 -0.45 1.61 1.01 -0.06 -4.67 120.40 119.71 3iq0 s VAL 76 Ca 0.00 1.56 -0.29 0.00 0.00 0.00 0.00 61.98 63.25 3iq0 s VAL 76 Cb 0.00 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.54 3iq0 s VAL 76 CO 0.00 0.14 1.10 -0.62 0.00 0.00 0.00 175.10 175.72 3iq0 s ASP 77 N -1.44 6.67 -0.18 3.32 -1.08 0.18 -4.34 116.67 119.80 3iq0 s ASP 77 Ca 0.52 0.53 0.16 0.00 -0.52 0.00 0.00 52.55 53.24 3iq0 s ASP 77 Cb -0.23 -2.54 0.68 0.00 -1.46 0.00 0.00 42.92 39.37 3iq0 s ASP 77 CO 0.29 -1.16 1.59 2.30 0.52 0.00 0.00 175.17 178.71 3iq0 n ILE 78 N 6.61 2.31 0.27 4.11 -6.64 -1.26 -2.58 119.36 122.19 3iq0 n ILE 78 Ca 0.11 -1.49 0.13 0.00 -1.77 0.00 0.00 62.75 59.73 3iq0 n ILE 78 Cb 0.49 -0.14 0.78 0.00 -1.44 0.00 0.00 39.64 39.33 3iq0 n ILE 78 CO 0.00 0.00 0.00 0.03 -1.77 0.00 0.00 176.55 174.81 3iq0 h ARG 79 N 3.19 0.00 -0.04 6.28 3.08 -1.90 -1.28 114.38 123.71 3iq0 h ARG 79 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iq0 h ARG 79 Cb 1.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.67 3iq0 h ARG 79 CO 0.32 0.09 0.00 0.41 -1.07 0.00 0.00 179.97 179.72 3iq0 n GLY 80 N -0.84 -0.72 3.42 0.04 0.00 -1.25 -4.67 105.19 101.16 3iq0 n GLY 80 Ca -0.02 -0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 3iq0 n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iq0 s ILE 81 N -1.95 4.91 0.32 -0.61 1.01 -0.48 -1.81 121.20 122.58 3iq0 s ILE 81 Ca 0.25 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 60.01 3iq0 s ILE 81 Cb 0.12 -4.33 -0.09 0.00 0.01 0.00 0.00 42.46 38.17 3iq0 s ILE 81 CO 0.20 -0.86 0.80 -0.44 0.00 0.00 0.00 174.94 174.64 3iq0 s SER 82 N 2.94 6.95 -0.23 3.58 0.01 -0.43 -4.94 113.70 121.58 3iq0 s SER 82 Ca 0.13 1.47 -0.06 0.00 1.31 0.00 0.00 55.95 58.80 3iq0 s SER 82 Cb -0.21 -2.44 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 3iq0 s SER 82 CO 0.10 -0.16 0.01 -0.69 0.41 0.00 0.00 173.24 172.91 3iq0 s VAL 83 N -1.87 3.91 -0.41 3.43 1.01 -1.26 -1.35 120.40 123.86 3iq0 s VAL 83 Ca 0.53 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.11 3iq0 s VAL 83 Cb -0.13 -2.80 0.08 0.00 0.00 0.00 0.00 36.38 33.54 3iq0 s VAL 83 CO 0.18 0.39 0.25 -0.76 0.00 0.00 0.00 175.10 175.16 3iq0 s LEU 84 N 1.38 5.11 0.27 3.92 1.43 0.96 -4.89 118.68 126.85 3iq0 s LEU 84 Ca 0.05 -1.52 -0.01 0.00 -1.03 0.00 0.00 54.13 51.62 3iq0 s LEU 84 Cb -0.15 -1.97 0.50 0.00 0.03 0.00 0.00 46.19 44.61 3iq0 s LEU 84 CO 0.01 -0.53 1.82 -0.65 0.23 0.00 0.00 176.35 177.23 3iq0 h PRO 85 N 8.37 0.86 0.00 1.29 0.11 -1.92 -2.28 132.00 138.43 3iq0 h PRO 85 Ca -0.22 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3iq0 h PRO 85 Cb 1.08 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3iq0 h PRO 85 CO 0.74 0.57 0.00 1.28 -0.21 0.00 0.00 178.00 180.38 3iq0 n LEU 86 N -4.69 0.00 -4.64 2.35 4.77 -1.26 -4.66 117.00 108.87 3iq0 n LEU 86 Ca 0.17 0.14 -0.25 0.00 -0.03 0.00 0.00 56.01 56.04 3iq0 n LEU 86 Cb 0.34 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.21 3iq0 n LEU 86 CO 0.26 -0.00 -0.29 -1.61 -1.33 0.00 0.00 177.39 174.42 3iq0 s GLU 87 N -2.28 2.08 -0.11 3.23 0.41 -0.86 -5.08 118.70 116.09 3iq0 s GLU 87 Ca 0.38 -1.77 -0.02 0.00 -0.41 0.00 0.00 54.97 53.15 3iq0 s GLU 87 Cb 0.21 -1.92 -0.03 0.00 -1.78 0.00 0.00 34.13 30.61 3iq0 s GLU 87 CO 0.40 0.11 -0.03 0.00 -0.49 0.00 0.00 175.26 175.26 3iq0 s ALA 88 N -2.53 3.10 0.29 5.21 0.00 -1.26 -4.20 121.76 122.36 3iq0 s ALA 88 Ca 0.35 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 51.18 3iq0 s ALA 88 Cb 0.01 -1.45 -0.11 0.00 0.00 0.00 0.00 23.12 21.56 3iq0 s ALA 88 CO 0.19 0.43 1.61 0.99 0.00 0.00 0.00 175.76 178.98 3iq0 s THR 89 N -0.36 2.03 0.94 0.00 2.01 -1.26 -0.57 115.64 118.43 3iq0 s THR 89 Ca 0.06 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.97 3iq0 s THR 89 Cb -0.12 -3.02 0.07 0.00 0.01 0.00 0.00 72.50 69.44 3iq0 s THR 89 CO 0.02 0.00 0.65 0.61 -0.69 0.00 0.00 174.62 175.22 3iq0 n GLY 90 N 2.23 -1.48 3.50 4.40 0.00 -1.26 -4.81 105.19 107.77 3iq0 n GLY 90 Ca 0.08 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 3iq0 n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iq0 s SER 91 N -2.22 -0.15 -0.19 1.61 1.04 -0.84 -2.29 113.70 110.66 3iq0 s SER 91 Ca 0.60 -0.67 -0.08 0.00 0.48 0.00 0.00 55.95 56.29 3iq0 s SER 91 Cb -0.22 0.55 0.08 0.00 0.10 0.00 0.00 66.02 66.53 3iq0 s SER 91 CO 0.64 -1.04 0.41 0.00 0.98 0.00 0.00 173.24 174.24 3iq0 s ALA 92 N -3.93 -1.11 -0.16 5.32 0.00 -0.15 -1.76 121.76 119.97 3iq0 s ALA 92 Ca 0.14 1.50 -0.09 0.00 0.00 0.00 0.00 51.96 53.51 3iq0 s ALA 92 Cb -0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 3iq0 s ALA 92 CO 0.00 -0.60 0.14 -0.06 0.00 0.00 0.00 175.76 175.25 3iq0 s PHE 93 N 2.23 3.49 0.06 0.00 0.08 -0.85 -0.62 117.98 122.36 3iq0 s PHE 93 Ca -0.04 0.43 0.03 0.00 0.12 0.00 0.00 56.93 57.47 3iq0 s PHE 93 Cb -0.11 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 3iq0 s PHE 93 CO -0.13 0.47 -0.10 0.54 -0.10 0.00 0.00 175.22 175.90 3iq0 s VAL 94 N -0.19 0.74 -0.07 -0.44 0.11 -0.84 -1.28 120.40 118.42 3iq0 s VAL 94 Ca 0.11 -1.20 -0.09 0.00 -2.93 0.00 0.00 61.98 57.87 3iq0 s VAL 94 Cb -0.12 -0.82 0.02 0.00 -1.53 0.00 0.00 36.38 33.94 3iq0 s VAL 94 CO 0.01 -0.36 0.23 0.28 -3.33 0.00 0.00 175.10 171.93 3iq0 s THR 95 N -1.47 0.02 0.30 5.04 -1.32 0.18 -1.02 115.64 117.36 3iq0 s THR 95 Ca -0.06 -0.15 0.03 0.00 -1.21 0.00 0.00 61.69 60.30 3iq0 s THR 95 Cb -0.09 -0.38 -0.03 0.00 -1.51 0.00 0.00 72.50 70.49 3iq0 s THR 95 CO 0.01 -0.08 0.45 -0.31 -2.21 0.00 0.00 174.62 172.48 3iq0 s TYR 96 N -0.25 3.43 0.00 9.09 2.02 -1.26 -3.54 117.35 126.84 3iq0 s TYR 96 Ca -0.04 0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.77 3iq0 s TYR 96 Cb -0.03 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 3iq0 s TYR 96 CO 0.01 0.24 0.00 0.41 -1.57 0.00 0.00 175.55 174.64 3iq0 n GLY 100 N -1.60 0.00 3.65 0.71 0.00 -1.26 -3.49 105.19 103.19 3iq0 n GLY 100 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 3iq0 n GLY 100 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3iq0 n ASP 101 N -0.54 0.44 -0.03 1.61 -0.08 -1.26 -4.96 116.55 111.72 3iq0 n ASP 101 Ca 0.00 0.52 -0.03 0.00 -1.51 0.00 0.00 54.79 53.77 3iq0 n ASP 101 Cb 0.00 -1.46 -0.13 0.00 2.34 0.00 0.00 41.12 41.87 3iq0 n ASP 101 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3iq0 n ARG 102 N -3.29 0.65 -1.83 -0.67 1.74 -1.26 -4.96 116.66 107.05 3iq0 n ARG 102 Ca 0.12 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3iq0 n ARG 102 Cb 0.51 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 3iq0 n ARG 102 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3iq0 n ASP 103 N -2.75 -5.09 -4.25 0.55 9.92 -1.23 -0.65 116.55 113.06 3iq0 n ASP 103 Ca -0.18 1.23 -0.14 0.00 -0.53 0.00 0.00 54.79 55.17 3iq0 n ASP 103 Cb 0.94 -3.55 -0.10 0.00 -0.64 0.00 0.00 41.12 37.77 3iq0 n ASP 103 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3iq0 s PHE 104 N -0.56 1.24 -0.31 1.24 0.08 -1.26 -1.65 117.98 116.76 3iq0 s PHE 104 Ca 0.00 -0.79 -0.01 0.00 0.12 0.00 0.00 56.93 56.25 3iq0 s PHE 104 Cb 0.00 -0.64 0.10 0.00 -0.57 0.00 0.00 43.02 41.91 3iq0 s PHE 104 CO 0.00 0.04 0.11 0.42 -0.10 0.00 0.00 175.22 175.69 3iq0 s ILE 105 N -3.37 0.76 0.11 0.64 1.01 -0.40 -4.97 121.20 114.97 3iq0 s ILE 105 Ca 0.17 -1.34 -0.10 0.00 0.00 0.00 0.00 60.65 59.38 3iq0 s ILE 105 Cb 0.03 -1.58 -0.06 0.00 0.01 0.00 0.00 42.46 40.86 3iq0 s ILE 105 CO 0.00 -0.69 0.44 -0.36 0.00 0.00 0.00 174.94 174.33 3iq0 s PHE 106 N 1.65 3.56 -0.42 3.97 0.08 -1.26 -2.00 117.98 123.55 3iq0 s PHE 106 Ca 0.10 0.81 0.04 0.00 0.12 0.00 0.00 56.93 58.00 3iq0 s PHE 106 Cb -0.17 -2.18 0.18 0.00 -0.57 0.00 0.00 43.02 40.27 3iq0 s PHE 106 CO -0.26 0.47 0.36 -1.71 -0.10 0.00 0.00 175.22 173.98 3iq0 n ASN 107 N 0.67 -0.28 0.04 1.36 5.15 -0.72 -4.94 115.26 116.54 3iq0 n ASN 107 Ca -0.06 -2.44 0.00 0.00 -0.60 0.00 0.00 54.58 51.48 3iq0 n ASN 107 Cb 0.52 -0.57 0.00 0.00 -0.53 0.00 0.00 39.78 39.20 3iq0 n ASN 107 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3iq0 n ILE 108 N 2.67 0.63 -0.35 -1.44 5.41 -1.26 -1.99 119.36 123.03 3iq0 n ILE 108 Ca 0.29 0.21 0.13 0.00 1.00 0.00 0.00 62.75 64.38 3iq0 n ILE 108 Cb 0.48 -1.39 0.33 0.00 -0.71 0.00 0.00 39.64 38.35 3iq0 n ILE 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3iq0 h LYS 109 N 0.00 0.73 -0.47 0.38 3.64 -1.97 -1.38 116.57 117.51 3iq0 h LYS 109 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3iq0 h LYS 109 Cb 0.33 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3iq0 h LYS 109 CO 0.00 0.48 0.00 0.09 -2.27 0.00 0.00 179.45 177.75 3iq0 n ASN 110 N -4.78 4.87 -1.41 4.20 3.02 -1.26 -4.23 115.26 115.68 3iq0 n ASN 110 Ca 0.24 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.93 3iq0 n ASN 110 Cb 0.59 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 3iq0 n ASN 110 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iq0 n ALA 111 N 0.31 0.00 -0.33 5.41 0.00 -0.53 -4.91 120.51 120.46 3iq0 n ALA 111 Ca 0.25 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.79 3iq0 n ALA 111 Cb 1.02 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.75 3iq0 n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iq0 h ALA 112 N 0.68 1.52 -0.52 0.00 0.00 -1.08 -2.71 119.26 117.15 3iq0 h ALA 112 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3iq0 h ALA 112 Cb 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.63 3iq0 h ALA 112 CO 0.00 -0.05 -0.53 0.00 0.00 0.00 0.00 179.25 178.68 3iq0 n GLY 114 N -1.37 -0.12 0.10 0.00 0.00 -1.02 -2.37 105.19 100.40 3iq0 n GLY 114 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 3iq0 n GLY 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iq0 n LYS 115 N -0.27 0.66 -1.64 1.61 3.00 0.37 -4.95 118.16 116.94 3iq0 n LYS 115 Ca 0.00 -0.20 -0.47 0.00 -0.00 0.00 0.00 58.31 57.64 3iq0 n LYS 115 Cb 0.03 -1.43 -0.04 0.00 0.00 0.00 0.00 35.03 33.59 3iq0 n LYS 115 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3iq0 n LEU 116 N -1.16 3.44 -4.51 3.14 7.94 -1.00 -4.96 117.00 119.90 3iq0 n LEU 116 Ca 0.05 0.79 -0.27 0.00 -1.11 0.00 0.00 56.01 55.48 3iq0 n LEU 116 Cb 0.34 -1.42 -0.10 0.00 0.53 0.00 0.00 43.42 42.76 3iq0 n LEU 116 CO 0.37 -0.16 -0.46 -0.94 -1.11 0.00 0.00 177.39 175.09 3iq0 s SER 117 N 5.10 3.88 0.64 1.96 1.04 -1.26 -4.78 113.70 120.27 3iq0 s SER 117 Ca 0.95 -0.72 0.25 0.00 0.48 0.00 0.00 55.95 56.91 3iq0 s SER 117 Cb -0.61 -0.51 1.30 0.00 0.10 0.00 0.00 66.02 66.31 3iq0 s SER 117 CO 0.47 0.11 1.74 0.00 0.98 0.00 0.00 173.24 176.53 3iq0 h ALA 118 N 2.98 1.82 0.06 5.32 0.00 -1.84 0.68 119.26 128.29 3iq0 h ALA 118 Ca -0.46 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.18 3iq0 h ALA 118 Cb 1.21 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3iq0 h ALA 118 CO 0.52 -0.66 -1.28 0.37 0.00 0.00 0.00 179.25 178.20 3iq0 h GLN 119 N 0.00 0.14 0.00 0.00 5.75 -1.95 -3.14 115.11 115.90 3iq0 h GLN 119 Ca 0.11 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3iq0 h GLN 119 Cb 1.19 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.83 3iq0 h GLN 119 CO -0.00 1.03 0.00 0.72 -2.65 0.00 0.00 178.83 177.93 3iq0 n HIS 120 N -3.39 0.00 0.00 3.99 8.25 0.24 -4.02 115.22 120.29 3iq0 n HIS 120 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3iq0 n HIS 120 Cb 1.00 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 32.08 3iq0 n HIS 120 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3iq0 n VAL 121 N -1.03 0.00 0.00 1.59 0.31 -1.19 -4.92 118.33 113.10 3iq0 n VAL 121 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3iq0 n VAL 121 Cb 0.04 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 3iq0 n VAL 121 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3iq0 n ASP 122 N 0.00 0.00 0.00 4.52 -0.08 -1.26 -4.89 116.55 114.84 3iq0 n ASP 122 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3iq0 n ASP 122 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3iq0 n ASP 122 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 3iq0 n GLU 123 N 0.00 0.00 0.24 -0.67 0.00 -1.26 -4.88 120.64 114.07 3iq0 n GLU 123 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.29 3iq0 n GLU 123 Cb 0.00 0.00 0.40 0.00 0.00 0.00 0.00 31.44 31.84 3iq0 n GLU 123 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 3iq0 h ASN 124 N 0.00 0.00 0.69 -1.84 -1.24 -2.00 -1.87 115.58 109.32 3iq0 h ASN 124 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.78 3iq0 h ASN 124 Cb 0.00 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 3iq0 h ASN 124 CO 0.00 0.07 -1.44 0.40 -1.29 0.00 0.00 177.43 175.17 3iq0 h ILE 125 N 0.00 0.88 -0.58 2.57 2.04 -1.90 -3.36 117.51 117.17 3iq0 h ILE 125 Ca -0.00 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.28 3iq0 h ILE 125 Cb 0.80 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 3iq0 h ILE 125 CO 0.01 0.50 0.00 0.18 0.00 0.00 0.00 178.15 178.84 3iq0 n LEU 126 N -3.06 4.31 -0.25 1.44 4.77 -1.06 -4.64 117.00 118.51 3iq0 n LEU 126 Ca -0.11 -2.37 0.01 0.00 -0.03 0.00 0.00 56.01 53.51 3iq0 n LEU 126 Cb 0.96 -0.51 0.13 0.00 -2.33 0.00 0.00 43.42 41.67 3iq0 n LEU 126 CO 0.44 0.82 1.09 0.11 -1.33 0.00 0.00 177.39 178.52 3iq0 h LYS 127 N 3.60 0.66 -0.57 3.23 1.57 -1.50 -2.17 116.57 121.40 3iq0 h LYS 127 Ca 0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3iq0 h LYS 127 Cb 1.28 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 3iq0 h LYS 127 CO 0.16 0.44 0.04 -0.25 -0.57 0.00 0.00 179.45 179.28 3iq0 n ASP 128 N -4.81 5.38 -4.62 0.86 8.00 -1.26 -4.92 116.55 115.19 3iq0 n ASP 128 Ca 0.11 -3.00 -0.42 0.00 0.71 0.00 0.00 54.79 52.18 3iq0 n ASP 128 Cb 0.25 -0.68 -0.04 0.00 -0.02 0.00 0.00 41.12 40.62 3iq0 n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iq0 n THR 130 N 5.68 0.00 -3.69 0.00 -2.24 -1.09 -4.69 114.28 108.25 3iq0 n THR 130 Ca 0.06 -0.22 -0.19 0.00 -2.27 0.00 0.00 64.05 61.44 3iq0 n THR 130 Cb 0.48 0.64 -0.17 0.00 -2.10 0.00 0.00 70.33 69.17 3iq0 n THR 130 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3iq0 s HIS 131 N -2.89 0.05 -0.12 4.78 3.76 -1.24 0.20 115.29 119.83 3iq0 s HIS 131 Ca 0.01 0.24 0.03 0.00 -0.15 0.00 0.00 55.06 55.19 3iq0 s HIS 131 Cb 0.13 -0.41 0.01 0.00 1.11 0.00 0.00 32.58 33.41 3iq0 s HIS 131 CO 0.73 -0.17 -0.22 0.12 -0.85 0.00 0.00 174.74 174.36 3iq0 s PHE 132 N 1.90 2.50 -0.13 1.40 5.36 0.06 -1.09 117.98 127.98 3iq0 s PHE 132 Ca 0.01 -1.15 -0.02 0.00 -0.96 0.00 0.00 56.93 54.82 3iq0 s PHE 132 Cb -0.12 -1.70 -0.03 0.00 -0.34 0.00 0.00 43.02 40.83 3iq0 s PHE 132 CO -0.03 -0.51 -0.06 -1.58 -1.46 0.00 0.00 175.22 171.59 3iq0 s HIS 133 N 0.63 2.98 0.00 10.12 5.65 0.19 -1.22 115.29 133.64 3iq0 s HIS 133 Ca -0.12 -0.24 0.00 0.00 0.25 0.00 0.00 55.06 54.95 3iq0 s HIS 133 Cb -0.16 -1.87 0.00 0.00 -1.18 0.00 0.00 32.58 29.37 3iq0 s HIS 133 CO 0.03 0.06 0.00 -0.89 -0.65 0.00 0.00 174.74 173.29 3iq0 n ILE 134 N 3.12 0.00 0.00 0.89 5.41 -0.22 -3.71 119.36 124.84 3iq0 n ILE 134 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 3iq0 n ILE 134 Cb 0.53 -0.21 0.00 0.00 -0.71 0.00 0.00 39.64 39.25 3iq0 n ILE 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3iq0 n GLY 136 N 5.00 0.00 0.04 7.39 0.00 0.85 -1.10 105.19 117.37 3iq0 n GLY 136 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3iq0 n GLY 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iq0 n SER 137 N -1.59 0.14 0.10 1.61 3.41 -1.22 -1.98 113.62 114.08 3iq0 n SER 137 Ca 0.00 0.55 0.10 0.00 -0.26 0.00 0.00 58.87 59.26 3iq0 n SER 137 Cb 0.24 -0.58 -0.00 0.00 -0.26 0.00 0.00 64.21 63.61 3iq0 n SER 137 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3iq0 h SER 138 N 0.00 0.00 -1.00 4.04 0.02 -1.93 -3.42 113.55 111.27 3iq0 h SER 138 Ca 0.00 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.23 3iq0 h SER 138 Cb 0.12 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.55 3iq0 h SER 138 CO 0.00 0.07 2.26 0.18 -1.14 0.00 0.00 176.83 178.20 3iq0 n LEU 139 N -2.72 5.94 -0.20 5.07 4.77 -0.84 -4.58 117.00 124.44 3iq0 n LEU 139 Ca -0.01 -4.26 0.05 0.00 -0.03 0.00 0.00 56.01 51.76 3iq0 n LEU 139 Cb 0.58 -1.64 0.09 0.00 -2.33 0.00 0.00 43.42 40.13 3iq0 n LEU 139 CO 0.40 0.82 0.56 2.22 -1.33 0.00 0.00 177.39 180.06 3iq0 n PHE 140 N 6.16 0.16 -3.50 -1.77 1.16 -1.26 -4.98 117.46 113.42 3iq0 n PHE 140 Ca 0.45 -0.69 -0.11 0.00 -1.87 0.00 0.00 57.45 55.23 3iq0 n PHE 140 Cb 0.41 -0.10 -0.03 0.00 -1.61 0.00 0.00 39.48 38.15 3iq0 n PHE 140 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3iq0 s SER 141 N -1.68 -0.45 0.52 5.98 1.04 -1.26 -5.03 113.70 112.82 3iq0 s SER 141 Ca 0.17 0.17 0.28 0.00 0.48 0.00 0.00 55.95 57.05 3iq0 s SER 141 Cb 0.14 0.44 1.42 0.00 0.10 0.00 0.00 66.02 68.11 3iq0 s SER 141 CO 0.04 -0.64 2.05 2.19 0.98 0.00 0.00 173.24 177.86 3iq0 h PHE 142 N 2.23 0.00 0.00 5.02 -5.15 -1.99 -2.17 116.94 114.88 3iq0 h PHE 142 Ca -0.25 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.52 3iq0 h PHE 142 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.40 3iq0 h PHE 142 CO 0.27 0.12 0.00 0.72 -2.00 0.00 0.00 178.31 177.43 3iq0 n HIS 143 N -3.58 0.00 0.00 6.09 8.25 -1.26 -1.70 115.22 123.02 3iq0 n HIS 143 Ca -0.02 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3iq0 n HIS 143 Cb 0.26 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3iq0 n HIS 143 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3iq0 n VAL 145 N 0.43 0.00 -0.03 1.59 0.24 -0.82 -1.98 118.33 117.77 3iq0 n VAL 145 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 3iq0 n VAL 145 Cb 0.21 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.50 3iq0 n VAL 145 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3iq0 h ASP 146 N 0.00 0.16 -0.61 -1.34 5.19 -1.60 0.26 116.42 118.48 3iq0 h ASP 146 Ca 0.00 -0.33 0.05 0.00 -0.62 0.00 0.00 57.03 56.13 3iq0 h ASP 146 Cb 0.00 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 39.42 3iq0 h ASP 146 CO 0.00 0.45 0.34 0.00 -3.12 0.00 0.00 179.24 176.91 3iq0 h ALA 147 N 0.71 0.80 -0.42 3.45 0.00 -1.67 -0.93 119.26 121.21 3iq0 h ALA 147 Ca 0.02 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3iq0 h ALA 147 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3iq0 h ALA 147 CO 0.01 0.03 -0.10 0.28 0.00 0.00 0.00 179.25 179.46 3iq0 h VAL 148 N 0.65 1.27 -0.75 0.00 2.07 -1.81 -2.18 116.25 115.50 3iq0 h VAL 148 Ca 0.27 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3iq0 h VAL 148 Cb 0.13 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3iq0 h VAL 148 CO -0.16 0.41 0.47 0.11 0.02 0.00 0.00 177.57 178.42 3iq0 h LYS 149 N 0.64 1.01 0.14 1.57 1.57 0.01 -0.27 116.57 121.24 3iq0 h LYS 149 Ca 0.11 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3iq0 h LYS 149 Cb 0.64 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3iq0 h LYS 149 CO 0.04 0.69 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.33 3iq0 h LYS 150 N 1.02 -0.19 -0.71 3.15 3.64 -1.11 -1.43 116.57 120.94 3iq0 h LYS 150 Ca 0.27 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.72 3iq0 h LYS 150 Cb -0.07 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 3iq0 h LYS 150 CO -0.05 -0.00 0.41 0.00 -2.27 0.00 0.00 179.45 177.53 3iq0 h ALA 151 N 0.49 0.96 -0.71 5.00 0.00 -1.22 -1.26 119.26 122.53 3iq0 h ALA 151 Ca -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3iq0 h ALA 151 Cb 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3iq0 h ALA 151 CO 0.03 0.10 0.34 0.28 0.00 0.00 0.00 179.25 180.00 3iq0 h VAL 152 N 0.75 1.23 -0.54 0.00 2.07 -0.88 -1.11 116.25 117.78 3iq0 h VAL 152 Ca 0.32 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 3iq0 h VAL 152 Cb 0.19 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3iq0 h VAL 152 CO -0.18 0.28 0.24 0.74 0.02 0.00 0.00 177.57 178.66 3iq0 h THR 153 N 0.99 1.21 -0.15 2.57 2.02 -0.65 -0.86 112.91 118.05 3iq0 h THR 153 Ca 0.24 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3iq0 h THR 153 Cb 0.12 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3iq0 h THR 153 CO -0.03 0.24 0.09 0.40 0.37 0.00 0.00 175.52 176.59 3iq0 h ILE 154 N 0.73 1.03 -0.50 3.11 2.04 -0.91 -1.17 117.51 121.82 3iq0 h ILE 154 Ca 0.18 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.91 3iq0 h ILE 154 Cb 0.16 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3iq0 h ILE 154 CO -0.02 0.03 0.04 0.58 0.00 0.00 0.00 178.15 178.79 3iq0 h VAL 155 N 0.18 1.26 0.00 1.67 2.07 -1.03 -2.66 116.25 117.74 3iq0 h VAL 155 Ca 0.05 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 3iq0 h VAL 155 Cb -0.01 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3iq0 h VAL 155 CO -0.02 0.36 -0.26 0.11 0.02 0.00 0.00 177.57 177.77 3iq0 h LYS 156 N 0.73 0.00 -0.16 1.57 1.57 -1.07 0.71 116.57 119.91 3iq0 h LYS 156 Ca 0.15 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 3iq0 h LYS 156 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3iq0 h LYS 156 CO 0.02 0.26 -0.22 0.00 -0.57 0.00 0.00 179.45 178.94 3iq0 h ALA 157 N 1.74 1.33 -0.45 3.86 0.00 -0.86 -1.69 119.26 123.19 3iq0 h ALA 157 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3iq0 h ALA 157 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3iq0 h ALA 157 CO 0.03 0.45 0.00 0.09 0.00 0.00 0.00 179.25 179.83 3iq0 n ASN 158 N -4.18 3.66 -0.96 0.00 4.13 -0.96 -4.90 115.26 112.05 3iq0 n ASN 158 Ca -0.01 -2.37 -0.07 0.00 1.68 0.00 0.00 54.58 53.81 3iq0 n ASN 158 Cb 0.35 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 3iq0 n ASN 158 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iq0 n GLY 159 N 0.82 0.19 3.94 7.41 0.00 -0.64 -5.03 105.19 111.89 3iq0 n GLY 159 Ca 0.19 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 3iq0 n GLY 159 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iq0 s GLY 160 N -2.80 1.72 -0.08 -0.02 0.00 0.20 -4.99 107.32 101.35 3iq0 s GLY 160 Ca 0.05 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 3iq0 s GLY 160 CO 0.06 -0.63 -0.03 0.14 0.00 0.00 0.00 173.10 172.64 3iq0 s VAL 161 N -3.26 4.06 -0.16 1.40 1.01 0.13 -4.59 120.40 118.99 3iq0 s VAL 161 Ca 0.62 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 3iq0 s VAL 161 Cb -0.09 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3iq0 s VAL 161 CO 0.45 0.60 -0.03 -0.63 0.00 0.00 0.00 175.10 175.49 3iq0 s ILE 162 N -0.81 3.94 0.06 2.22 -1.09 -1.26 -0.76 121.20 123.50 3iq0 s ILE 162 Ca 0.12 -0.34 0.07 0.00 -2.23 0.00 0.00 60.65 58.28 3iq0 s ILE 162 Cb -0.11 -2.73 -0.03 0.00 -1.58 0.00 0.00 42.46 38.00 3iq0 s ILE 162 CO 0.02 0.49 -0.17 -0.94 -1.23 0.00 0.00 174.94 173.10 3iq0 s SER 163 N 0.41 3.89 -0.03 3.58 1.04 -0.35 -0.88 113.70 121.36 3iq0 s SER 163 Ca -0.03 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 55.94 3iq0 s SER 163 Cb -0.14 -0.63 0.03 0.00 0.10 0.00 0.00 66.02 65.38 3iq0 s SER 163 CO 0.03 0.23 0.06 0.12 0.98 0.00 0.00 173.24 174.66 3iq0 s PHE 164 N -1.00 -0.00 -0.31 5.02 5.36 0.66 -1.06 117.98 126.65 3iq0 s PHE 164 Ca 0.16 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.36 3iq0 s PHE 164 Cb -0.11 -0.26 0.07 0.00 -0.34 0.00 0.00 43.02 42.38 3iq0 s PHE 164 CO 0.07 -0.13 0.01 0.34 -1.46 0.00 0.00 175.22 174.05 3iq0 s ASP 165 N 1.37 4.81 -0.44 6.13 -1.08 -0.26 -4.40 116.67 122.80 3iq0 s ASP 165 Ca -0.06 -1.54 -0.06 0.00 -0.52 0.00 0.00 52.55 50.38 3iq0 s ASP 165 Cb -0.13 -1.68 -0.16 0.00 -1.46 0.00 0.00 42.92 39.50 3iq0 s ASP 165 CO -0.04 -0.30 2.74 -0.81 0.52 0.00 0.00 175.17 177.28 3iq0 n PRO 166 N 4.52 1.98 -1.41 4.34 -0.04 -1.26 -0.10 135.00 143.02 3iq0 n PRO 166 Ca -0.09 -1.12 -0.31 0.00 -0.04 0.00 0.00 63.50 61.94 3iq0 n PRO 166 Cb 0.43 -2.14 -0.06 0.00 -0.04 0.00 0.00 33.50 31.68 3iq0 n PRO 166 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3iq0 n ASN 167 N 3.08 7.38 -4.92 3.54 6.94 -1.26 -4.86 115.26 125.15 3iq0 n ASN 167 Ca 0.42 -2.77 -0.26 0.00 -0.02 0.00 0.00 54.58 51.95 3iq0 n ASN 167 Cb 0.51 -1.43 0.02 0.00 -2.36 0.00 0.00 39.78 36.52 3iq0 n ASN 167 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3iq0 s ILE 168 N 0.48 3.91 -0.31 1.53 1.09 -1.26 -3.46 121.20 123.17 3iq0 s ILE 168 Ca 0.64 -0.02 -0.21 0.00 -1.10 0.00 0.00 60.65 59.96 3iq0 s ILE 168 Cb 0.25 -3.53 -0.01 0.00 -1.06 0.00 0.00 42.46 38.12 3iq0 s ILE 168 CO -0.08 -0.52 0.66 -0.13 -0.10 0.00 0.00 174.94 174.78 3iq0 s ARG 169 N -4.90 3.88 0.48 2.79 0.52 -1.26 -4.92 118.95 115.55 3iq0 s ARG 169 Ca 0.52 0.33 0.41 0.00 -0.52 0.00 0.00 55.73 56.47 3iq0 s ARG 169 Cb -0.10 -3.74 1.54 0.00 0.52 0.00 0.00 34.95 33.17 3iq0 s ARG 169 CO 0.44 -0.62 1.48 1.63 0.02 0.00 0.00 175.30 178.25 3iq0 n LYS 170 N 5.97 -0.01 0.00 3.54 4.76 -1.26 -4.21 118.16 126.95 3iq0 n LYS 170 Ca -0.00 1.09 0.00 0.00 -2.87 0.00 0.00 58.31 56.53 3iq0 n LYS 170 Cb 0.49 -2.35 0.00 0.00 -1.84 0.00 0.00 35.03 31.32 3iq0 n LYS 170 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3iq0 n GLU 171 N -4.15 0.00 0.00 1.97 4.71 -1.26 -4.23 120.64 117.68 3iq0 n GLU 171 Ca 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.56 3iq0 n GLU 171 Cb 1.73 -1.19 0.00 0.00 -1.01 0.00 0.00 31.44 30.97 3iq0 n GLU 171 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3iq0 n LEU 173 N 1.70 0.00 -1.05 -4.62 4.77 -1.26 -4.03 117.00 112.51 3iq0 n LEU 173 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3iq0 n LEU 173 Cb 0.00 -0.03 0.17 0.00 -2.33 0.00 0.00 43.42 41.23 3iq0 n LEU 173 CO 0.00 0.00 0.68 0.47 -1.33 0.00 0.00 177.39 177.21 3iq0 n ASP 174 N 0.00 3.20 -4.14 -1.43 8.00 -1.26 -4.64 116.55 116.28 3iq0 n ASP 174 Ca 0.00 -1.99 -0.38 0.00 0.71 0.00 0.00 54.79 53.13 3iq0 n ASP 174 Cb 0.00 -0.13 -0.08 0.00 -0.02 0.00 0.00 41.12 40.89 3iq0 n ASP 174 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3iq0 s ILE 175 N -1.74 4.06 0.26 0.53 1.01 -1.26 -4.98 121.20 119.09 3iq0 s ILE 175 Ca 0.34 -2.86 0.15 0.00 0.00 0.00 0.00 60.65 58.28 3iq0 s ILE 175 Cb 0.21 -3.62 0.25 0.00 0.01 0.00 0.00 42.46 39.32 3iq0 s ILE 175 CO 0.31 -0.90 1.08 -0.81 0.00 0.00 0.00 174.94 174.61 3iq0 n PRO 176 N 3.59 -0.04 0.00 2.79 -0.04 -1.26 -0.86 135.00 139.18 3iq0 n PRO 176 Ca 0.09 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 3iq0 n PRO 176 Cb 0.39 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 3iq0 n PRO 176 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3iq0 n GLU 177 N -4.50 0.06 0.00 0.54 2.13 -1.26 -0.65 120.64 116.97 3iq0 n GLU 177 Ca 0.26 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.08 3iq0 n GLU 177 Cb 0.90 -1.00 0.00 0.00 0.27 0.00 0.00 31.44 31.60 3iq0 n GLU 177 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3iq0 n ARG 179 N -0.38 0.00 0.04 5.31 0.63 -0.04 -1.64 116.66 120.58 3iq0 n ARG 179 Ca 0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 3iq0 n ARG 179 Cb 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.81 3iq0 n ARG 179 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3iq0 h ASP 180 N 0.00 0.91 -0.57 6.15 3.32 -1.13 -2.88 116.42 122.21 3iq0 h ASP 180 Ca 0.00 -0.73 0.08 0.00 0.02 0.00 0.00 57.03 56.40 3iq0 h ASP 180 Cb 0.00 -0.28 -0.07 0.00 0.22 0.00 0.00 39.33 39.21 3iq0 h ASP 180 CO 0.00 1.52 0.21 0.00 -1.72 0.00 0.00 179.24 179.26 3iq0 h ALA 181 N 0.40 0.73 -0.46 3.45 0.00 -1.56 0.55 119.26 122.37 3iq0 h ALA 181 Ca -0.13 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3iq0 h ALA 181 Cb 1.68 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 3iq0 h ALA 181 CO 0.20 -0.19 0.17 -0.07 0.00 0.00 0.00 179.25 179.36 3iq0 h LEU 182 N 0.40 0.64 -1.12 0.00 3.38 -1.85 -0.64 115.31 116.12 3iq0 h LEU 182 Ca 0.28 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3iq0 h LEU 182 Cb 0.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3iq0 h LEU 182 CO -0.28 0.65 -0.33 0.45 0.09 0.00 0.00 178.44 179.02 3iq0 h HIS 183 N 0.60 0.21 0.22 1.13 3.86 -1.14 -1.47 115.15 118.56 3iq0 h HIS 183 Ca 0.15 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3iq0 h HIS 183 Cb 0.22 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.64 3iq0 h HIS 183 CO 0.01 0.50 -0.11 0.35 0.86 0.00 0.00 177.93 179.54 3iq0 h PHE 184 N 0.17 -0.27 -0.98 2.45 3.57 0.64 -2.63 116.94 119.88 3iq0 h PHE 184 Ca 0.02 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3iq0 h PHE 184 Cb 0.67 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 3iq0 h PHE 184 CO 0.01 -0.08 0.65 0.28 -2.23 0.00 0.00 178.31 176.94 3iq0 h VAL 185 N -0.42 1.23 -0.87 1.41 2.07 -0.91 -2.55 116.25 116.22 3iq0 h VAL 185 Ca -0.03 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.09 3iq0 h VAL 185 Cb 0.32 -0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 29.84 3iq0 h VAL 185 CO 0.05 0.24 0.57 0.25 0.02 0.00 0.00 177.57 178.70 3iq0 h LEU 186 N 1.31 0.88 -1.13 2.57 5.85 -1.09 -1.17 115.31 122.54 3iq0 h LEU 186 Ca 0.37 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.09 3iq0 h LEU 186 Cb -0.12 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.72 3iq0 h LEU 186 CO -0.09 0.58 0.00 -0.33 -0.34 0.00 0.00 178.44 178.26 3iq0 h GLU 187 N 1.01 0.00 -0.29 1.25 4.39 -1.08 -2.29 114.58 117.57 3iq0 h GLU 187 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 3iq0 h GLU 187 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3iq0 h GLU 187 CO -0.12 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.01 3iq0 n LEU 188 N -2.59 2.78 -4.79 1.33 4.77 -0.51 -4.97 117.00 113.02 3iq0 n LEU 188 Ca 0.01 -1.70 -0.39 0.00 -0.03 0.00 0.00 56.01 53.90 3iq0 n LEU 188 Cb 0.24 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 3iq0 n LEU 188 CO 0.22 0.65 0.39 -0.89 -1.33 0.00 0.00 177.39 176.43 3iq0 s THR 189 N -1.03 4.55 -0.18 -5.08 2.01 -0.81 -4.63 115.64 110.47 3iq0 s THR 189 Ca 0.24 1.49 0.08 0.00 0.31 0.00 0.00 61.69 63.81 3iq0 s THR 189 Cb 0.13 -4.03 -0.17 0.00 0.01 0.00 0.00 72.50 68.44 3iq0 s THR 189 CO 0.18 0.52 -0.06 0.47 -0.69 0.00 0.00 174.62 175.04 3iq0 n ASP 190 N 1.75 1.67 -3.96 3.53 8.00 -0.06 -4.06 116.55 123.42 3iq0 n ASP 190 Ca -0.07 -0.05 -0.30 0.00 0.71 0.00 0.00 54.79 55.07 3iq0 n ASP 190 Cb 0.50 0.31 -0.16 0.00 -0.02 0.00 0.00 41.12 41.75 3iq0 n ASP 190 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3iq0 s ILE 191 N -2.40 1.58 0.48 0.53 1.01 -0.79 -0.92 121.20 120.69 3iq0 s ILE 191 Ca -0.18 -1.15 0.07 0.00 0.00 0.00 0.00 60.65 59.39 3iq0 s ILE 191 Cb 0.06 -1.77 0.07 0.00 0.01 0.00 0.00 42.46 40.83 3iq0 s ILE 191 CO 0.58 -0.00 0.58 0.00 0.00 0.00 0.00 174.94 176.09 3iq0 n TYR 192 N 4.67 -1.88 0.00 3.97 9.36 0.44 -0.25 117.16 133.47 3iq0 n TYR 192 Ca -0.13 -1.85 0.00 0.00 3.32 0.00 0.00 57.90 59.24 3iq0 n TYR 192 Cb 0.45 -0.44 0.00 0.00 -0.63 0.00 0.00 39.34 38.72 3iq0 n TYR 192 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3iq0 n PRO 194 N -1.93 0.00 -2.43 2.98 -0.04 -1.22 -0.33 135.00 132.04 3iq0 n PRO 194 Ca 0.09 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.28 3iq0 n PRO 194 Cb 0.52 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.00 3iq0 n PRO 194 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3iq0 s SER 195 N 0.00 5.76 0.28 3.54 1.04 -1.26 -2.35 113.70 120.71 3iq0 s SER 195 Ca 0.00 0.78 -0.00 0.00 0.48 0.00 0.00 55.95 57.21 3iq0 s SER 195 Cb 0.00 -1.85 0.64 0.00 0.10 0.00 0.00 66.02 64.91 3iq0 s SER 195 CO 0.00 -0.95 1.65 -0.08 0.98 0.00 0.00 173.24 174.84 3iq0 h GLU 196 N -0.09 0.21 -0.01 4.02 4.81 -0.41 0.22 114.58 123.33 3iq0 h GLU 196 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3iq0 h GLU 196 Cb 1.24 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3iq0 h GLU 196 CO 0.61 0.14 0.00 0.41 -0.73 0.00 0.00 179.01 179.44 3iq0 n GLY 197 N -1.38 -0.87 0.07 1.92 0.00 -1.26 -3.38 105.19 100.29 3iq0 n GLY 197 Ca 0.19 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 46.06 3iq0 n GLY 197 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iq0 n GLU 198 N -0.70 2.02 -0.31 1.61 1.02 0.71 -4.76 120.64 120.23 3iq0 n GLU 198 Ca 0.16 -0.41 0.02 0.00 -0.02 0.00 0.00 57.16 56.91 3iq0 n GLU 198 Cb 0.10 -0.88 0.16 0.00 -0.02 0.00 0.00 31.44 30.80 3iq0 n GLU 198 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3iq0 h VAL 199 N 0.33 1.00 0.00 2.62 2.07 -1.44 -2.83 116.25 117.99 3iq0 h VAL 199 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3iq0 h VAL 199 Cb 0.09 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 3iq0 h VAL 199 CO 0.00 0.17 -0.56 -0.07 0.02 0.00 0.00 177.57 177.13 3iq0 h LEU 200 N 0.94 0.00 -0.40 2.57 3.38 -1.86 -3.40 115.31 116.54 3iq0 h LEU 200 Ca 0.40 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.27 3iq0 h LEU 200 Cb 0.25 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 3iq0 h LEU 200 CO -0.20 0.07 -0.49 -0.07 0.09 0.00 0.00 178.44 177.85 3iq0 h LEU 201 N 0.00 -1.64 -2.03 1.67 3.38 -1.81 -1.02 115.31 113.86 3iq0 h LEU 201 Ca 0.00 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3iq0 h LEU 201 Cb 0.79 0.68 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3iq0 h LEU 201 CO 0.00 -0.33 0.00 0.18 0.09 0.00 0.00 178.44 178.38 3iq0 n LEU 202 N -5.00 2.99 -4.62 1.67 4.77 -1.26 -4.89 117.00 110.67 3iq0 n LEU 202 Ca -0.03 -1.51 -0.30 0.00 -0.03 0.00 0.00 56.01 54.14 3iq0 n LEU 202 Cb 0.29 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.78 3iq0 n LEU 202 CO -0.01 0.45 -0.39 -0.55 -1.33 0.00 0.00 177.39 175.57 3iq0 s SER 203 N -0.55 4.64 0.29 -1.43 0.15 -0.39 -5.01 113.70 111.40 3iq0 s SER 203 Ca 0.27 -0.28 0.23 0.00 0.70 0.00 0.00 55.95 56.87 3iq0 s SER 203 Cb 0.19 -0.99 0.26 0.00 -1.71 0.00 0.00 66.02 63.76 3iq0 s SER 203 CO 0.10 0.19 1.38 1.55 1.20 0.00 0.00 173.24 177.66 3iq0 h PRO 204 N 3.68 0.00 -7.42 5.44 0.13 -1.90 -3.47 132.00 128.46 3iq0 h PRO 204 Ca -0.48 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.18 3iq0 h PRO 204 Cb 1.17 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.38 3iq0 h PRO 204 CO 0.55 0.00 0.30 -1.01 -0.23 0.00 0.00 178.00 177.61 3iq0 s HIS 205 N -3.25 2.97 -0.47 1.56 3.76 -1.26 -5.03 115.29 113.58 3iq0 s HIS 205 Ca 0.04 0.61 0.04 0.00 -0.15 0.00 0.00 55.06 55.60 3iq0 s HIS 205 Cb 0.08 -3.27 0.04 0.00 1.11 0.00 0.00 32.58 30.55 3iq0 s HIS 205 CO 0.71 -1.49 0.70 0.43 -0.85 0.00 0.00 174.74 174.24 3iq0 n SER 206 N -3.05 1.49 -4.21 1.40 7.64 -1.26 -4.88 113.62 110.74 3iq0 n SER 206 Ca 0.08 -1.30 -0.28 0.00 1.01 0.00 0.00 58.87 58.38 3iq0 n SER 206 Cb 0.60 -0.01 -0.16 0.00 -1.01 0.00 0.00 64.21 63.63 3iq0 n SER 206 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3iq0 s THR 207 N -0.44 1.66 0.18 0.44 -4.23 -1.26 -5.05 115.64 106.95 3iq0 s THR 207 Ca 0.05 -0.88 -0.14 0.00 -1.18 0.00 0.00 61.69 59.54 3iq0 s THR 207 Cb 0.03 -1.39 0.10 0.00 1.34 0.00 0.00 72.50 72.59 3iq0 s THR 207 CO 0.05 0.47 1.70 1.55 -0.54 0.00 0.00 174.62 177.85 3iq0 h PRO 208 N 5.81 0.14 -0.37 3.99 0.13 -1.96 0.73 132.00 140.46 3iq0 h PRO 208 Ca -0.37 -0.01 0.08 0.00 -0.87 0.00 0.00 66.00 64.83 3iq0 h PRO 208 Cb 1.15 -0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.16 3iq0 h PRO 208 CO 0.48 0.09 -0.27 0.93 -0.23 0.00 0.00 178.00 178.99 3iq0 h GLU 209 N 0.14 -0.21 -0.10 0.86 3.07 -1.99 0.87 114.58 117.22 3iq0 h GLU 209 Ca 0.23 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.10 3iq0 h GLU 209 Cb 0.33 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3iq0 h GLU 209 CO -0.36 -0.14 0.05 0.00 -1.40 0.00 0.00 179.01 177.16 3iq0 h ARG 210 N -0.22 0.15 -0.28 2.33 2.47 -1.84 -1.33 114.38 115.67 3iq0 h ARG 210 Ca 0.18 -0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.94 3iq0 h ARG 210 Cb 0.50 -0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.73 3iq0 h ARG 210 CO -0.50 0.22 -0.17 0.00 0.56 0.00 0.00 179.97 180.08 3iq0 h ALA 211 N 0.92 0.04 -0.68 0.04 0.00 -0.13 0.03 119.26 119.48 3iq0 h ALA 211 Ca 0.04 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3iq0 h ALA 211 Cb 0.12 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3iq0 h ALA 211 CO -0.00 -0.57 0.18 0.82 0.00 0.00 0.00 179.25 179.68 3iq0 h ILE 212 N -0.14 1.26 0.00 0.00 2.04 -0.80 -1.74 117.51 118.12 3iq0 h ILE 212 Ca 0.15 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 3iq0 h ILE 212 Cb 0.36 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3iq0 h ILE 212 CO -0.36 0.36 -0.13 0.00 0.00 0.00 0.00 178.15 178.02 3iq0 h ALA 213 N 1.08 1.36 0.00 1.87 0.00 -0.66 -2.45 119.26 120.46 3iq0 h ALA 213 Ca 0.21 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 3iq0 h ALA 213 Cb 0.35 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.13 3iq0 h ALA 213 CO -0.00 0.16 -0.87 0.78 0.00 0.00 0.00 179.25 179.32 3iq0 h GLY 214 N 0.76 0.65 1.01 0.00 0.00 -0.17 -2.34 103.07 102.98 3iq0 h GLY 214 Ca -0.00 -1.14 0.01 0.00 0.00 0.00 0.00 47.33 46.19 3iq0 h GLY 214 CO 0.02 1.01 0.43 0.74 0.00 0.00 0.00 176.54 178.73 3iq0 h PHE 215 N 0.18 0.81 -0.60 5.60 0.05 -0.95 -0.04 116.94 121.99 3iq0 h PHE 215 Ca -0.11 0.02 -0.09 0.00 3.82 0.00 0.00 57.97 61.61 3iq0 h PHE 215 Cb 1.55 -0.28 -0.02 0.00 2.00 0.00 0.00 35.95 39.20 3iq0 h PHE 215 CO 0.12 0.51 0.01 -0.07 -0.18 0.00 0.00 178.31 178.70 3iq0 h LEU 216 N 0.88 1.03 -0.71 1.54 3.38 -1.51 -1.01 115.31 118.91 3iq0 h LEU 216 Ca 0.24 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3iq0 h LEU 216 Cb -0.10 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.34 3iq0 h LEU 216 CO -0.05 1.08 0.22 -0.08 0.09 0.00 0.00 178.44 179.70 3iq0 h GLU 217 N 0.95 1.10 0.00 1.13 4.81 -0.94 -2.71 114.58 118.92 3iq0 h GLU 217 Ca 0.17 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 3iq0 h GLU 217 Cb 0.55 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3iq0 h GLU 217 CO 0.03 0.95 -0.19 1.49 -0.73 0.00 0.00 179.01 180.55 3iq0 h GLU 218 N 1.05 0.00 0.00 1.92 4.22 -0.75 -3.46 114.58 117.56 3iq0 h GLU 218 Ca 0.23 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.67 3iq0 h GLU 218 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3iq0 h GLU 218 CO -0.01 0.19 0.00 0.41 -2.18 0.00 0.00 179.01 177.43 3iq0 n GLY 219 N -0.77 0.69 3.71 1.92 0.00 -0.90 -5.07 105.19 104.77 3iq0 n GLY 219 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3iq0 n GLY 219 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iq0 s VAL 220 N 0.00 2.54 0.01 1.61 1.01 -0.43 -4.85 120.40 120.29 3iq0 s VAL 220 Ca 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 3iq0 s VAL 220 Cb 0.00 -3.19 -0.27 0.00 0.00 0.00 0.00 36.38 32.92 3iq0 s VAL 220 CO 0.00 0.02 0.87 0.11 0.00 0.00 0.00 175.10 176.10 3iq0 h LYS 221 N 7.35 0.24 -4.01 2.72 1.57 -1.27 -3.35 116.57 119.81 3iq0 h LYS 221 Ca -0.43 -0.41 -0.32 0.00 -1.87 0.00 0.00 60.65 57.62 3iq0 h LYS 221 Cb 1.20 0.15 -0.30 0.00 0.08 0.00 0.00 32.23 33.37 3iq0 h LYS 221 CO 0.93 1.10 -0.75 -1.21 -0.57 0.00 0.00 179.45 178.96 3iq0 s GLU 222 N -2.62 0.33 -0.21 3.15 2.02 -0.79 -4.35 118.70 116.23 3iq0 s GLU 222 Ca -0.09 -0.07 0.01 0.00 0.02 0.00 0.00 54.97 54.84 3iq0 s GLU 222 Cb 0.07 -0.37 0.05 0.00 0.10 0.00 0.00 34.13 33.98 3iq0 s GLU 222 CO 0.85 0.01 -0.09 0.08 0.02 0.00 0.00 175.26 176.14 3iq0 s VAL 223 N 0.27 1.59 -0.34 2.63 1.01 -0.49 -0.42 120.40 124.64 3iq0 s VAL 223 Ca -0.03 -1.06 -0.08 0.00 0.00 0.00 0.00 61.98 60.81 3iq0 s VAL 223 Cb -0.05 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.62 3iq0 s VAL 223 CO -0.01 0.09 0.14 -0.63 0.00 0.00 0.00 175.10 174.69 3iq0 s ILE 224 N 1.40 4.17 -0.25 2.22 1.09 0.56 -1.09 121.20 129.30 3iq0 s ILE 224 Ca -0.03 -0.88 -0.13 0.00 -1.10 0.00 0.00 60.65 58.52 3iq0 s ILE 224 Cb -0.17 -3.28 -0.04 0.00 -1.06 0.00 0.00 42.46 37.90 3iq0 s ILE 224 CO -0.07 -0.12 0.27 -0.69 -0.10 0.00 0.00 174.94 174.23 3iq0 s VAL 225 N 1.49 5.26 -0.07 2.92 1.01 0.44 -3.37 120.40 128.09 3iq0 s VAL 225 Ca 0.01 0.38 -0.21 0.00 0.00 0.00 0.00 61.98 62.16 3iq0 s VAL 225 Cb -0.19 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3iq0 s VAL 225 CO 0.04 0.25 0.60 -0.54 0.00 0.00 0.00 175.10 175.46 3iq0 s LYS 226 N 1.59 4.38 -0.30 2.72 1.02 -0.99 -0.39 119.74 127.77 3iq0 s LYS 226 Ca 0.12 0.71 0.07 0.00 0.02 0.00 0.00 55.97 56.88 3iq0 s LYS 226 Cb -0.15 -3.42 0.46 0.00 -0.52 0.00 0.00 37.83 34.20 3iq0 s LYS 226 CO 0.08 0.16 1.21 0.54 -0.92 0.00 0.00 175.35 176.43 3iq0 n ARG 227 N 3.53 3.51 0.00 1.68 1.74 0.13 0.39 116.66 127.65 3iq0 n ARG 227 Ca -0.04 -4.11 0.00 0.00 -0.77 0.00 0.00 57.85 52.93 3iq0 n ARG 227 Cb 0.51 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 3iq0 n ARG 227 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iq0 n GLY 228 N -0.73 3.26 1.57 -0.13 0.00 -1.26 -1.11 105.19 106.79 3iq0 n GLY 228 Ca 0.43 0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.54 3iq0 n GLY 228 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iq0 n ASN 229 N 5.16 3.36 -0.16 1.61 0.23 -1.26 -3.64 115.26 120.57 3iq0 n ASN 229 Ca 0.00 -2.75 0.03 0.00 -0.53 0.00 0.00 54.58 51.33 3iq0 n ASN 229 Cb 0.00 -0.66 0.04 0.00 -2.08 0.00 0.00 39.78 37.08 3iq0 n ASN 229 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 3iq0 n GLN 230 N -0.26 1.05 0.00 -3.83 0.00 -0.26 -4.70 117.38 109.37 3iq0 n GLN 230 Ca 0.28 -1.46 0.00 0.00 -0.00 0.00 0.00 57.00 55.81 3iq0 n GLN 230 Cb 1.05 -0.90 0.00 0.00 0.00 0.00 0.00 30.24 30.38 3iq0 n GLN 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3iq0 n GLY 231 N -0.53 0.04 3.37 1.69 0.00 -1.24 -4.10 105.19 104.42 3iq0 n GLY 231 Ca 0.05 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.40 3iq0 n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iq0 s ALA 232 N -1.73 -1.28 0.09 4.61 0.00 -0.93 -0.69 121.76 121.83 3iq0 s ALA 232 Ca 0.00 0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.30 3iq0 s ALA 232 Cb 0.00 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 3iq0 s ALA 232 CO 0.00 -0.69 -0.19 -1.12 0.00 0.00 0.00 175.76 173.76 3iq0 s SER 233 N -2.70 2.35 -0.05 0.00 0.01 0.47 -1.08 113.70 112.71 3iq0 s SER 233 Ca 0.01 -0.66 0.05 0.00 1.31 0.00 0.00 55.95 56.67 3iq0 s SER 233 Cb 0.00 -0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.09 3iq0 s SER 233 CO -0.11 0.04 -0.19 -0.47 0.41 0.00 0.00 173.24 172.91 3iq0 s TYR 234 N -1.15 2.56 -0.03 2.43 5.04 0.12 -0.42 117.35 125.91 3iq0 s TYR 234 Ca 0.05 -0.34 -0.00 0.00 -2.44 0.00 0.00 57.07 54.34 3iq0 s TYR 234 Cb -0.10 -1.60 0.03 0.00 0.35 0.00 0.00 41.96 40.64 3iq0 s TYR 234 CO 0.04 0.04 0.02 0.71 -1.34 0.00 0.00 175.55 175.02 3iq0 s TYR 235 N -0.56 0.22 0.15 4.97 2.02 -0.25 -1.93 117.35 121.96 3iq0 s TYR 235 Ca 0.08 0.06 -0.03 0.00 -0.37 0.00 0.00 57.07 56.80 3iq0 s TYR 235 Cb -0.11 -0.38 -0.03 0.00 -0.40 0.00 0.00 41.96 41.03 3iq0 s TYR 235 CO 0.01 -0.13 0.12 -1.54 -1.57 0.00 0.00 175.55 172.43 3iq0 s SER 236 N 1.19 0.23 0.53 2.29 1.04 -0.22 -1.40 113.70 117.35 3iq0 s SER 236 Ca -0.07 -1.14 0.19 0.00 0.48 0.00 0.00 55.95 55.41 3iq0 s SER 236 Cb -0.13 0.34 1.36 0.00 0.10 0.00 0.00 66.02 67.69 3iq0 s SER 236 CO -0.02 -0.78 2.15 0.00 0.98 0.00 0.00 173.24 175.57 3iq0 h ALA 237 N 2.76 1.83 0.03 5.32 0.00 -1.92 -3.08 119.26 124.20 3iq0 h ALA 237 Ca -0.34 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.21 3iq0 h ALA 237 Cb 1.21 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 3iq0 h ALA 237 CO 0.56 0.03 -2.00 0.09 0.00 0.00 0.00 179.25 177.94 3iq0 n ASN 238 N -4.33 1.10 -3.99 0.00 5.03 -1.26 -5.03 115.26 106.79 3iq0 n ASN 238 Ca -0.03 0.22 -0.16 0.00 0.87 0.00 0.00 54.58 55.49 3iq0 n ASN 238 Cb 0.11 -0.07 -0.09 0.00 -1.02 0.00 0.00 39.78 38.71 3iq0 n ASN 238 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 3iq0 s GLU 239 N -2.56 1.44 -0.29 3.52 -1.05 -1.17 -5.16 118.70 113.44 3iq0 s GLU 239 Ca -0.13 -1.80 -0.14 0.00 -0.15 0.00 0.00 54.97 52.75 3iq0 s GLU 239 Cb 0.07 0.12 0.10 0.00 -0.44 0.00 0.00 34.13 33.98 3iq0 s GLU 239 CO 0.79 -0.45 0.69 -1.14 0.95 0.00 0.00 175.26 176.10 3iq0 s GLN 240 N -3.91 0.66 0.22 -4.83 0.74 -1.26 -1.06 119.66 110.21 3iq0 s GLN 240 Ca 0.38 1.29 -0.22 0.00 0.05 0.00 0.00 55.36 56.86 3iq0 s GLN 240 Cb 0.06 0.38 0.04 0.00 1.10 0.00 0.00 33.01 34.59 3iq0 s GLN 240 CO 0.17 -0.16 0.67 -0.59 -0.55 0.00 0.00 175.29 174.83 3iq0 s PHE 241 N 2.04 -0.35 0.05 1.67 -0.12 -0.81 -5.01 117.98 115.45 3iq0 s PHE 241 Ca -0.09 0.01 -0.03 0.00 -0.05 0.00 0.00 56.93 56.77 3iq0 s PHE 241 Cb -0.07 0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 3iq0 s PHE 241 CO -0.20 -1.05 0.04 -1.58 -0.05 0.00 0.00 175.22 172.39 3iq0 s HIS 242 N -3.82 0.36 0.07 3.49 2.46 -1.26 0.11 115.29 116.69 3iq0 s HIS 242 Ca 0.06 -0.80 0.06 0.00 0.47 0.00 0.00 55.06 54.86 3iq0 s HIS 242 Cb -0.04 -0.25 -0.03 0.00 -0.13 0.00 0.00 32.58 32.13 3iq0 s HIS 242 CO -0.02 -0.39 -0.18 0.14 -2.47 0.00 0.00 174.74 171.82 3iq0 s VAL 243 N -3.38 1.43 0.58 0.89 -7.23 -0.24 -5.00 120.40 107.44 3iq0 s VAL 243 Ca 0.02 -1.27 -0.12 0.00 -1.81 0.00 0.00 61.98 58.79 3iq0 s VAL 243 Cb 0.04 -1.29 -0.05 0.00 0.56 0.00 0.00 36.38 35.63 3iq0 s VAL 243 CO -0.08 -0.01 1.00 -1.61 -0.31 0.00 0.00 175.10 174.09 3iq0 s GLU 244 N -1.49 3.71 0.50 4.82 2.02 -1.26 -2.20 118.70 124.79 3iq0 s GLU 244 Ca 0.04 0.78 -0.18 0.00 0.02 0.00 0.00 54.97 55.63 3iq0 s GLU 244 Cb -0.09 -2.12 -0.09 0.00 0.10 0.00 0.00 34.13 31.94 3iq0 s GLU 244 CO 0.02 -0.45 0.98 -1.54 0.02 0.00 0.00 175.26 174.30 3iq0 s SER 245 N -3.81 6.66 -0.02 -0.19 1.04 -1.26 -4.61 113.70 111.51 3iq0 s SER 245 Ca 0.56 1.62 -0.19 0.00 0.48 0.00 0.00 55.95 58.42 3iq0 s SER 245 Cb -0.11 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.44 3iq0 s SER 245 CO 0.46 -0.56 0.53 -0.31 0.98 0.00 0.00 173.24 174.34 3iq0 s TYR 246 N -2.48 3.67 -0.03 5.02 2.02 -1.26 -4.88 117.35 119.41 3iq0 s TYR 246 Ca 0.60 1.11 -0.30 0.00 -0.37 0.00 0.00 57.07 58.11 3iq0 s TYR 246 Cb -0.10 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.90 3iq0 s TYR 246 CO 0.26 0.40 1.21 -1.25 -1.57 0.00 0.00 175.55 174.60 3iq0 s PRO 247 N -0.31 4.36 0.08 -1.71 0.04 -1.26 -4.99 135.00 131.21 3iq0 s PRO 247 Ca 0.28 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.91 3iq0 s PRO 247 Cb -0.17 -3.52 0.01 0.00 0.04 0.00 0.00 34.50 30.85 3iq0 s PRO 247 CO 0.15 -0.42 0.26 0.14 0.04 0.00 0.00 177.00 177.18 3iq0 s VAL 248 N 2.01 0.11 -0.92 -0.36 -7.23 -1.26 -5.09 120.40 107.66 3iq0 s VAL 248 Ca 0.57 -0.92 -0.23 0.00 -1.81 0.00 0.00 61.98 59.59 3iq0 s VAL 248 Cb -0.26 -1.18 0.06 0.00 0.56 0.00 0.00 36.38 35.56 3iq0 s VAL 248 CO 0.24 -0.51 1.31 -1.83 -0.31 0.00 0.00 175.10 174.00 3iq0 s GLU 249 N -3.48 3.47 0.27 4.82 1.03 -1.26 -4.99 118.70 118.57 3iq0 s GLU 249 Ca 0.02 -1.05 -0.30 0.00 0.03 0.00 0.00 54.97 53.66 3iq0 s GLU 249 Cb 0.03 -4.95 -0.11 0.00 -0.80 0.00 0.00 34.13 28.30 3iq0 s GLU 249 CO -0.09 -2.08 1.54 -2.00 -1.33 0.00 0.00 175.26 171.30 3iq0 s GLU 250 N 4.60 4.18 0.00 -4.83 2.12 -1.26 -4.51 118.70 119.00 3iq0 s GLU 250 Ca 0.39 2.47 0.00 0.00 0.36 0.00 0.00 54.97 58.19 3iq0 s GLU 250 Cb -0.04 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.29 3iq0 s GLU 250 CO -0.03 -0.55 0.00 0.28 -0.54 0.00 0.00 175.26 174.41 3iq0 n VAL 251 N 2.28 0.00 -3.47 3.70 0.31 0.14 -4.98 118.33 116.30 3iq0 n VAL 251 Ca 0.08 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.33 3iq0 n VAL 251 Cb 0.38 -0.54 -0.08 0.00 -0.91 0.00 0.00 33.84 32.70 3iq0 n VAL 251 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3iq0 s ASP 252 N -2.85 -0.06 0.04 4.52 -1.08 -0.85 -4.87 116.67 111.53 3iq0 s ASP 252 Ca 0.00 0.60 0.26 0.00 -0.52 0.00 0.00 52.55 52.89 3iq0 s ASP 252 Cb 0.00 1.27 0.68 0.00 -1.46 0.00 0.00 42.92 43.42 3iq0 s ASP 252 CO 0.00 -0.27 1.56 -0.81 0.52 0.00 0.00 175.17 176.17 3iq0 n PRO 253 N 5.38 0.09 -0.37 4.34 -0.04 -1.26 -4.07 135.00 139.07 3iq0 n PRO 253 Ca -0.06 0.04 0.02 0.00 -0.04 0.00 0.00 63.50 63.46 3iq0 n PRO 253 Cb 0.50 -1.57 0.08 0.00 -0.04 0.00 0.00 33.50 32.47 3iq0 n PRO 253 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3iq0 n THR 254 N -1.70 -0.48 0.57 0.52 -1.04 -1.26 -2.16 114.28 108.72 3iq0 n THR 254 Ca 0.05 2.29 0.12 0.00 -2.04 0.00 0.00 64.05 64.47 3iq0 n THR 254 Cb 0.37 -3.09 0.24 0.00 -1.82 0.00 0.00 70.33 66.03 3iq0 n THR 254 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3iq0 n GLY 255 N -1.53 1.36 0.43 3.41 0.00 -1.26 -4.62 105.19 102.99 3iq0 n GLY 255 Ca 0.12 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 3iq0 n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iq0 h ALA 256 N 4.44 -0.70 -0.83 4.61 0.00 -1.72 0.12 119.26 125.18 3iq0 h ALA 256 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3iq0 h ALA 256 Cb 0.88 0.89 -0.04 0.00 0.00 0.00 0.00 17.79 19.53 3iq0 h ALA 256 CO 0.00 -0.99 0.48 0.78 0.00 0.00 0.00 179.25 179.52 3iq0 h GLY 257 N -0.51 1.21 1.01 0.00 0.00 -1.82 0.14 103.07 103.10 3iq0 h GLY 257 Ca 0.07 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 3iq0 h GLY 257 CO -0.44 0.50 -0.04 -0.55 0.00 0.00 0.00 176.54 176.01 3iq0 h ASP 258 N 1.15 0.84 -0.29 0.19 3.32 -1.75 -0.65 116.42 119.24 3iq0 h ASP 258 Ca 0.30 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 3iq0 h ASP 258 Cb -0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3iq0 h ASP 258 CO -0.05 0.97 -0.22 0.00 -1.72 0.00 0.00 179.24 178.21 3iq0 h PHE 260 N 0.40 0.49 -0.14 0.00 3.57 -0.64 0.06 116.94 120.68 3iq0 h PHE 260 Ca 0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3iq0 h PHE 260 Cb 0.78 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 3iq0 h PHE 260 CO 0.07 0.18 0.06 0.78 -2.23 0.00 0.00 178.31 177.17 3iq0 h GLY 261 N 0.50 0.22 0.99 2.40 0.00 -0.83 -1.30 103.07 105.06 3iq0 h GLY 261 Ca 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3iq0 h GLY 261 CO -0.25 0.11 0.32 -1.33 0.00 0.00 0.00 176.54 175.40 3iq0 h GLY 262 N 0.08 0.84 0.80 4.60 0.00 -0.76 -2.03 103.07 106.59 3iq0 h GLY 262 Ca 0.05 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.04 3iq0 h GLY 262 CO -0.00 0.36 0.22 0.00 0.00 0.00 0.00 176.54 177.11 3iq0 h ALA 263 N 1.15 0.53 0.57 3.60 0.00 -0.87 0.96 119.26 125.20 3iq0 h ALA 263 Ca 0.20 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3iq0 h ALA 263 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3iq0 h ALA 263 CO -0.03 -0.14 -0.29 2.35 0.00 0.00 0.00 179.25 181.14 3iq0 h TRP 264 N 0.44 -0.75 -0.71 0.00 2.91 -0.96 0.92 115.95 117.79 3iq0 h TRP 264 Ca 0.18 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.21 3iq0 h TRP 264 Cb 0.08 0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 28.94 3iq0 h TRP 264 CO -0.10 -0.46 0.46 0.82 -1.03 0.00 0.00 178.44 178.13 3iq0 h ILE 265 N -0.79 1.14 -0.28 2.65 1.08 -1.25 -0.61 117.51 119.44 3iq0 h ILE 265 Ca -0.08 -0.31 -0.10 0.00 -0.39 0.00 0.00 64.86 63.98 3iq0 h ILE 265 Cb 0.61 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 3iq0 h ILE 265 CO 0.12 0.17 -0.21 0.00 -0.69 0.00 0.00 178.15 177.53 3iq0 h ALA 266 N 1.28 0.40 -0.62 1.87 0.00 -0.73 -1.94 119.26 119.53 3iq0 h ALA 266 Ca 0.27 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3iq0 h ALA 266 Cb -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3iq0 h ALA 266 CO -0.09 0.35 0.23 0.00 0.00 0.00 0.00 179.25 179.75 3iq0 h ARG 268 N 0.89 0.74 0.00 0.00 2.47 -1.05 -1.71 114.38 115.73 3iq0 h ARG 268 Ca 0.21 -0.26 -0.04 0.00 -1.26 0.00 0.00 59.98 58.63 3iq0 h ARG 268 Cb 0.20 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 3iq0 h ARG 268 CO -0.02 0.85 -0.19 1.96 0.56 0.00 0.00 179.97 183.14 3iq0 h GLN 269 N 0.67 0.00 -0.36 0.04 1.08 -0.46 -1.07 115.11 115.01 3iq0 h GLN 269 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3iq0 h GLN 269 Cb 0.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 3iq0 h GLN 269 CO 0.04 0.19 0.00 1.28 -0.95 0.00 0.00 178.83 179.39 3iq0 n LEU 270 N -3.85 1.79 0.00 1.46 4.77 -0.55 -4.91 117.00 115.71 3iq0 n LEU 270 Ca -0.02 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 3iq0 n LEU 270 Cb 0.29 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 3iq0 n LEU 270 CO 0.33 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3iq0 n GLY 271 N 0.92 0.54 3.77 -0.72 0.00 -0.41 -5.04 105.19 104.24 3iq0 n GLY 271 Ca 0.10 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3iq0 n GLY 271 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iq0 s PHE 272 N -2.00 2.80 0.91 1.61 0.40 -0.71 -5.01 117.98 115.98 3iq0 s PHE 272 Ca 0.00 1.50 -0.14 0.00 -0.60 0.00 0.00 56.93 57.69 3iq0 s PHE 272 Cb 0.00 -3.49 0.14 0.00 0.51 0.00 0.00 43.02 40.19 3iq0 s PHE 272 CO 0.00 -1.78 1.20 0.16 0.70 0.00 0.00 175.22 175.50 3iq0 s ASP 273 N -1.18 3.58 0.29 1.36 1.47 -1.26 -4.63 116.67 116.30 3iq0 s ASP 273 Ca 0.63 0.68 0.02 0.00 1.18 0.00 0.00 52.55 55.06 3iq0 s ASP 273 Cb -0.32 -1.06 0.58 0.00 -0.34 0.00 0.00 42.92 41.78 3iq0 s ASP 273 CO 0.39 -2.48 1.85 0.00 0.68 0.00 0.00 175.17 175.61 3iq0 h ALA 274 N -1.46 1.55 -0.44 2.11 0.00 -1.99 -0.92 119.26 118.12 3iq0 h ALA 274 Ca -0.47 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 3iq0 h ALA 274 Cb 1.30 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3iq0 h ALA 274 CO 0.55 0.22 0.01 0.45 0.00 0.00 0.00 179.25 180.48 3iq0 h HIS 275 N 0.97 0.84 -0.06 0.00 3.86 -2.00 -1.67 115.15 117.09 3iq0 h HIS 275 Ca 0.47 -0.14 -0.03 0.00 -1.16 0.00 0.00 60.37 59.52 3iq0 h HIS 275 Cb 0.47 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 3iq0 h HIS 275 CO -0.00 0.82 -0.06 0.00 0.86 0.00 0.00 177.93 179.54 3iq0 h ARG 276 N 0.62 0.16 -0.84 2.45 2.47 -1.81 -2.93 114.38 114.50 3iq0 h ARG 276 Ca 0.13 -0.08 0.05 0.00 -1.26 0.00 0.00 59.98 58.82 3iq0 h ARG 276 Cb 0.47 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.74 3iq0 h ARG 276 CO 0.02 0.60 0.55 0.00 0.56 0.00 0.00 179.97 181.70 3iq0 h ALA 277 N 0.55 1.55 -0.43 0.04 0.00 -1.19 -0.98 119.26 118.80 3iq0 h ALA 277 Ca 0.01 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3iq0 h ALA 277 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3iq0 h ALA 277 CO 0.02 0.34 -0.31 1.25 0.00 0.00 0.00 179.25 180.55 3iq0 h LEU 278 N 0.96 1.01 -0.65 0.00 5.85 -1.32 0.06 115.31 121.23 3iq0 h LEU 278 Ca 0.35 -0.43 -0.13 0.00 0.84 0.00 0.00 57.88 58.50 3iq0 h LEU 278 Cb 0.16 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3iq0 h LEU 278 CO -0.12 1.23 -0.37 0.06 -0.34 0.00 0.00 178.44 178.90 3iq0 h GLN 279 N 0.80 0.65 -0.26 1.25 3.07 -1.24 -0.53 115.11 118.86 3iq0 h GLN 279 Ca 0.08 -0.32 -0.09 0.00 0.09 0.00 0.00 58.65 58.42 3iq0 h GLN 279 Cb 0.90 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.45 3iq0 h GLN 279 CO 0.08 0.91 -0.20 1.88 0.09 0.00 0.00 178.83 181.60 3iq0 h TYR 280 N 0.54 0.70 -0.20 0.06 -1.99 -1.09 -0.30 116.97 114.69 3iq0 h TYR 280 Ca 0.05 -0.19 -0.00 0.00 2.00 0.00 0.00 58.73 60.58 3iq0 h TYR 280 Cb 0.88 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.45 3iq0 h TYR 280 CO 0.04 0.88 0.11 0.00 -0.00 0.00 0.00 178.16 179.19 3iq0 h ALA 281 N 0.70 0.25 -0.43 3.88 0.00 -0.93 0.21 119.26 122.94 3iq0 h ALA 281 Ca 0.05 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3iq0 h ALA 281 Cb 0.74 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3iq0 h ALA 281 CO 0.05 -0.21 0.13 -0.97 0.00 0.00 0.00 179.25 178.25 3iq0 h ASN 282 N 0.21 0.10 -0.55 0.00 -1.24 -1.02 0.03 115.58 113.11 3iq0 h ASN 282 Ca 0.07 0.06 -0.08 0.00 0.71 0.00 0.00 56.30 57.06 3iq0 h ASN 282 Cb 0.08 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 3iq0 h ASN 282 CO -0.01 0.09 0.04 0.00 -1.29 0.00 0.00 177.43 176.26 3iq0 h ALA 283 N 1.30 0.98 0.09 1.57 0.00 -0.78 -1.84 119.26 120.58 3iq0 h ALA 283 Ca 0.20 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iq0 h ALA 283 Cb 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3iq0 h ALA 283 CO -0.23 0.63 -0.05 0.00 0.00 0.00 0.00 179.25 179.60 3iq0 h GLY 285 N -0.14 0.52 0.83 0.00 0.00 -0.90 0.80 103.07 104.18 3iq0 h GLY 285 Ca -0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3iq0 h GLY 285 CO 0.02 0.18 -0.00 0.00 0.00 0.00 0.00 176.54 176.74 3iq0 h ALA 286 N 1.77 0.29 -0.66 3.60 0.00 -0.62 -2.94 119.26 120.70 3iq0 h ALA 286 Ca 0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3iq0 h ALA 286 Cb -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3iq0 h ALA 286 CO -0.03 0.02 0.24 -0.07 0.00 0.00 0.00 179.25 179.40 3iq0 h LEU 287 N 0.15 0.93 -0.48 0.00 3.38 -0.34 -3.18 115.31 115.76 3iq0 h LEU 287 Ca 0.06 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.94 3iq0 h LEU 287 Cb 0.41 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 40.83 3iq0 h LEU 287 CO 0.01 0.87 -0.07 0.00 0.09 0.00 0.00 178.44 179.34 3iq0 h ALA 288 N 1.10 0.38 0.00 1.53 0.00 -0.72 -1.87 119.26 119.67 3iq0 h ALA 288 Ca 0.22 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3iq0 h ALA 288 Cb 0.25 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3iq0 h ALA 288 CO -0.01 -0.42 0.00 1.33 0.00 0.00 0.00 179.25 180.14 3iq0 n VAL 289 N -5.30 0.64 1.05 0.00 0.24 -1.12 -2.96 118.33 110.88 3iq0 n VAL 289 Ca 0.05 0.16 0.14 0.00 -2.04 0.00 0.00 64.34 62.64 3iq0 n VAL 289 Cb 0.26 -0.92 0.54 0.00 -1.47 0.00 0.00 33.84 32.25 3iq0 n VAL 289 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3iq0 n THR 290 N -1.31 0.00 -4.43 3.34 -2.24 -0.70 0.24 114.28 109.18 3iq0 n THR 290 Ca 0.06 -0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.59 3iq0 n THR 290 Cb 0.12 -0.29 -0.13 0.00 -2.10 0.00 0.00 70.33 67.93 3iq0 n THR 290 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3iq0 s ARG 291 N -2.94 1.23 0.11 -0.78 0.52 -1.16 -4.67 118.95 111.26 3iq0 s ARG 291 Ca 0.15 -1.07 -0.25 0.00 -0.52 0.00 0.00 55.73 54.04 3iq0 s ARG 291 Cb 0.19 -1.43 -0.07 0.00 0.52 0.00 0.00 34.95 34.16 3iq0 s ARG 291 CO 0.56 0.35 0.77 0.50 0.02 0.00 0.00 175.30 177.50 3iq0 s ARG 292 N -1.60 4.53 0.00 3.54 3.52 -1.26 -4.29 118.95 123.39 3iq0 s ARG 292 Ca 0.07 1.11 0.00 0.00 -0.13 0.00 0.00 55.73 56.78 3iq0 s ARG 292 Cb -0.09 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 3iq0 s ARG 292 CO 0.03 0.44 0.00 0.41 -0.81 0.00 0.00 175.30 175.37 3iq0 n GLY 293 N 1.96 3.31 0.00 8.12 0.00 -1.26 -4.67 105.19 112.65 3iq0 n GLY 293 Ca -0.04 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3iq0 n GLY 293 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iq0 n PRO 294 N 0.73 0.00 -0.41 1.61 -0.02 -1.26 -4.11 135.00 131.54 3iq0 n PRO 294 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3iq0 n PRO 294 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3iq0 n PRO 294 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3iq0 n GLU 296 N -0.46 0.00 -0.25 -0.52 -0.58 -1.26 -4.03 120.64 113.54 3iq0 n GLU 296 Ca 0.00 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.82 3iq0 n GLU 296 Cb 0.00 -3.97 0.22 0.00 -0.57 0.00 0.00 31.44 27.12 3iq0 n GLU 296 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iq0 n GLY 297 N -2.00 2.66 3.74 0.62 0.00 -1.26 -4.93 105.19 104.03 3iq0 n GLY 297 Ca 0.00 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 3iq0 n GLY 297 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iq0 s THR 298 N -1.00 2.63 0.13 2.61 -4.23 -1.26 -3.64 115.64 110.88 3iq0 s THR 298 Ca 0.33 0.32 0.06 0.00 -1.18 0.00 0.00 61.69 61.23 3iq0 s THR 298 Cb 0.17 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 3iq0 s THR 298 CO 0.23 -0.16 -0.15 -0.44 -0.54 0.00 0.00 174.62 173.56 3iq0 s SER 299 N -2.13 2.16 0.47 3.99 0.01 -1.26 -5.01 113.70 111.93 3iq0 s SER 299 Ca 0.72 -0.83 -0.09 0.00 1.31 0.00 0.00 55.95 57.06 3iq0 s SER 299 Cb -0.27 -0.09 -0.05 0.00 0.21 0.00 0.00 66.02 65.82 3iq0 s SER 299 CO 0.42 -0.12 0.83 -0.13 0.41 0.00 0.00 173.24 174.65 3iq0 s ARG 300 N -2.73 3.69 0.00 12.44 0.52 -1.26 -4.52 118.95 127.09 3iq0 s ARG 300 Ca 0.11 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 3iq0 s ARG 300 Cb -0.05 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 33.10 3iq0 s ARG 300 CO 0.04 -0.18 0.00 -0.11 0.02 0.00 0.00 175.30 175.06 3iq0 n LEU 301 N -1.84 0.00 0.00 2.53 7.94 -1.26 -2.47 117.00 121.90 3iq0 n LEU 301 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 3iq0 n LEU 301 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 3iq0 n LEU 301 CO 0.51 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 176.17 3iq0 n GLU 303 N 0.37 0.00 -0.08 1.96 1.02 -1.26 -1.72 120.64 120.92 3iq0 n GLU 303 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 3iq0 n GLU 303 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 3iq0 n GLU 303 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3iq0 h ILE 304 N 0.00 1.25 -0.28 -3.67 2.04 -1.85 -1.33 117.51 113.67 3iq0 h ILE 304 Ca 0.00 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 65.06 3iq0 h ILE 304 Cb 0.00 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 3iq0 h ILE 304 CO 0.00 0.27 -0.13 -0.08 0.00 0.00 0.00 178.15 178.21 3iq0 h GLU 305 N 0.20 -0.08 -0.61 2.37 4.22 -1.62 0.19 114.58 119.24 3iq0 h GLU 305 Ca 0.07 0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.42 3iq0 h GLU 305 Cb 0.38 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3iq0 h GLU 305 CO 0.01 -0.05 0.02 1.79 -2.18 0.00 0.00 179.01 178.60 3iq0 h THR 306 N -0.09 1.27 -0.19 0.32 1.35 -1.84 0.45 112.91 114.18 3iq0 h THR 306 Ca 0.14 -1.13 0.05 0.00 -0.55 0.00 0.00 66.41 64.92 3iq0 h THR 306 Cb 0.30 0.78 -0.05 0.00 -1.73 0.00 0.00 68.15 67.45 3iq0 h THR 306 CO -0.33 0.41 -0.12 0.15 -0.25 0.00 0.00 175.52 175.38 3iq0 h PHE 307 N 0.97 -0.30 0.08 4.73 3.57 -0.47 -0.46 116.94 125.06 3iq0 h PHE 307 Ca 0.18 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 3iq0 h PHE 307 Cb 0.54 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.44 3iq0 h PHE 307 CO 0.04 -0.18 -0.04 0.82 -2.23 0.00 0.00 178.31 176.72 3iq0 h ILE 308 N -0.12 0.97 0.00 1.41 2.04 -0.77 -3.15 117.51 117.89 3iq0 h ILE 308 Ca 0.11 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3iq0 h ILE 308 Cb 0.28 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3iq0 h ILE 308 CO -0.26 0.04 0.00 0.00 0.00 0.00 0.00 178.15 177.93 3iq0 n GLN 309 N -5.10 0.00 -0.04 2.37 6.02 0.13 -2.73 117.38 118.02 3iq0 n GLN 309 Ca -0.08 0.18 0.01 0.00 -0.01 0.00 0.00 57.00 57.10 3iq0 n GLN 309 Cb 0.10 -0.86 0.03 0.00 1.02 0.00 0.00 30.24 30.52 3iq0 n GLN 309 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3iq0 n ARG 310 N -0.54 -0.01 0.00 -1.09 1.74 -0.23 -5.08 116.66 111.45 3iq0 n ARG 310 Ca 0.00 0.18 0.15 0.00 -0.77 0.00 0.00 57.85 57.40 3iq0 n ARG 310 Cb 0.00 -0.27 0.71 0.00 -1.02 0.00 0.00 32.46 31.88 3iq0 n ARG 310 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69