#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iq6 n GLN 3 N 0.00 0.02 0.04 0.00 10.64 -1.26 -4.97 117.38 121.86 1iq6 n GLN 3 Ca 0.00 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.30 1iq6 n GLN 3 Cb 0.00 0.00 0.38 0.00 -0.86 0.00 0.00 30.24 29.76 1iq6 n GLN 3 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1iq6 n SER 4 N 0.00 0.48 -4.73 2.61 7.64 -1.26 -4.82 113.62 113.54 1iq6 n SER 4 Ca 0.00 0.27 -0.41 0.00 1.01 0.00 0.00 58.87 59.74 1iq6 n SER 4 Cb 0.00 -0.26 -0.04 0.00 -1.01 0.00 0.00 64.21 62.91 1iq6 n SER 4 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1iq6 s LEU 5 N -3.67 4.45 0.09 -3.43 2.96 -1.26 -5.03 118.68 112.79 1iq6 s LEU 5 Ca 0.11 1.96 -0.13 0.00 -0.22 0.00 0.00 54.13 55.84 1iq6 s LEU 5 Cb 0.16 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.28 1iq6 s LEU 5 CO 0.63 -0.24 0.31 -1.83 -1.32 0.00 0.00 176.35 173.90 1iq6 s GLU 6 N 0.16 0.93 0.20 1.98 -1.05 -1.26 -4.56 118.70 115.10 1iq6 s GLU 6 Ca 0.51 -0.72 -0.33 0.00 -0.15 0.00 0.00 54.97 54.29 1iq6 s GLU 6 Cb -0.27 0.40 -0.14 0.00 -0.44 0.00 0.00 34.13 33.68 1iq6 s GLU 6 CO 0.32 -0.33 1.39 0.28 0.95 0.00 0.00 175.26 177.87 1iq6 n VAL 7 N 0.06 0.65 0.00 1.83 0.31 -1.26 -2.23 118.33 117.68 1iq6 n VAL 7 Ca -0.16 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1iq6 n VAL 7 Cb 0.62 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 1iq6 n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1iq6 n GLY 8 N 2.43 2.75 3.76 2.92 0.00 -0.11 -5.00 105.19 111.94 1iq6 n GLY 8 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1iq6 n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iq6 s GLN 9 N -0.37 4.23 0.15 1.61 -0.21 -0.95 -4.74 119.66 119.39 1iq6 s GLN 9 Ca 0.00 2.38 0.05 0.00 0.02 0.00 0.00 55.36 57.81 1iq6 s GLN 9 Cb 0.00 -3.06 -0.04 0.00 1.00 0.00 0.00 33.01 30.91 1iq6 s GLN 9 CO 0.00 -0.43 -0.11 0.15 -2.12 0.00 0.00 175.29 172.78 1iq6 s LYS 10 N -1.08 1.08 -0.09 2.91 1.02 -1.26 -0.98 119.74 121.34 1iq6 s LYS 10 Ca 0.56 -1.43 -0.13 0.00 0.02 0.00 0.00 55.97 54.99 1iq6 s LYS 10 Cb -0.43 -0.71 0.03 0.00 -0.52 0.00 0.00 37.83 36.19 1iq6 s LYS 10 CO 0.50 0.10 0.34 0.00 -0.92 0.00 0.00 175.35 175.37 1iq6 s ALA 11 N -3.10 -0.85 0.23 5.17 0.00 -0.67 -5.00 121.76 117.54 1iq6 s ALA 11 Ca 0.16 0.75 -0.08 0.00 0.00 0.00 0.00 51.96 52.78 1iq6 s ALA 11 Cb 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1iq6 s ALA 11 CO 0.02 -0.20 0.35 -0.98 0.00 0.00 0.00 175.76 174.94 1iq6 s ARG 12 N -0.40 1.42 0.17 0.00 1.70 -1.26 -1.13 118.95 119.46 1iq6 s ARG 12 Ca -0.05 -1.40 -0.19 0.00 -0.47 0.00 0.00 55.73 53.61 1iq6 s ARG 12 Cb -0.03 0.39 0.04 0.00 -0.57 0.00 0.00 34.95 34.78 1iq6 s ARG 12 CO 0.02 -0.55 0.54 -0.48 -1.08 0.00 0.00 175.30 173.75 1iq6 s LEU 13 N -3.07 -0.11 0.01 -1.89 0.05 -0.44 -5.00 118.68 108.22 1iq6 s LEU 13 Ca 0.29 -0.28 0.05 0.00 0.05 0.00 0.00 54.13 54.23 1iq6 s LEU 13 Cb 0.02 2.28 -0.01 0.00 -2.05 0.00 0.00 46.19 46.43 1iq6 s LEU 13 CO 0.10 -1.00 -0.14 -0.44 -0.55 0.00 0.00 176.35 174.32 1iq6 s SER 14 N -2.82 1.66 -0.17 1.48 0.01 -1.26 -0.63 113.70 111.97 1iq6 s SER 14 Ca 0.05 -0.32 -0.18 0.00 1.31 0.00 0.00 55.95 56.81 1iq6 s SER 14 Cb -0.01 -0.16 0.05 0.00 0.21 0.00 0.00 66.02 66.11 1iq6 s SER 14 CO -0.08 0.12 0.49 -0.75 0.41 0.00 0.00 173.24 173.44 1iq6 s LYS 15 N -0.62 0.61 -0.41 12.44 2.20 -0.84 -4.99 119.74 128.13 1iq6 s LYS 15 Ca 0.04 0.60 -0.05 0.00 -0.36 0.00 0.00 55.97 56.21 1iq6 s LYS 15 Cb -0.06 0.29 0.10 0.00 -1.51 0.00 0.00 37.83 36.65 1iq6 s LYS 15 CO 0.00 -0.09 0.22 0.50 -0.36 0.00 0.00 175.35 175.62 1iq6 s ARG 16 N 0.08 2.20 -0.18 4.03 3.52 -1.26 -1.62 118.95 125.71 1iq6 s ARG 16 Ca -0.01 -1.72 -0.29 0.00 -0.13 0.00 0.00 55.73 53.58 1iq6 s ARG 16 Cb -0.03 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.71 1iq6 s ARG 16 CO 0.01 -1.04 1.19 -0.06 -0.81 0.00 0.00 175.30 174.59 1iq6 s PHE 17 N 1.23 3.01 0.66 5.12 0.40 -1.26 -4.92 117.98 122.23 1iq6 s PHE 17 Ca 0.06 1.16 0.06 0.00 -0.60 0.00 0.00 56.93 57.60 1iq6 s PHE 17 Cb -0.23 -3.43 0.12 0.00 0.51 0.00 0.00 43.02 39.99 1iq6 s PHE 17 CO -0.03 -1.31 0.92 0.20 0.70 0.00 0.00 175.22 175.70 1iq6 s GLY 18 N 1.73 1.71 0.20 4.36 0.00 -1.26 -1.49 107.32 112.57 1iq6 s GLY 18 Ca 0.51 -2.08 -0.10 0.00 0.00 0.00 0.00 44.72 43.05 1iq6 s GLY 18 CO 0.12 -1.52 1.77 0.00 0.00 0.00 0.00 173.10 173.47 1iq6 h ALA 19 N -0.21 0.79 -0.79 3.20 0.00 -1.95 -1.55 119.26 118.75 1iq6 h ALA 19 Ca -0.31 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1iq6 h ALA 19 Cb 1.28 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1iq6 h ALA 19 CO 0.39 -0.12 0.43 0.00 0.00 0.00 0.00 179.25 179.95 1iq6 h ALA 20 N 1.37 1.01 -0.50 0.00 0.00 -1.99 -0.68 119.26 118.47 1iq6 h ALA 20 Ca 0.29 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1iq6 h ALA 20 Cb 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1iq6 h ALA 20 CO -0.25 0.52 -0.18 0.93 0.00 0.00 0.00 179.25 180.28 1iq6 h GLU 21 N 1.09 1.00 -0.54 0.00 5.08 -1.85 -0.83 114.58 118.53 1iq6 h GLU 21 Ca 0.28 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1iq6 h GLU 21 Cb 0.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1iq6 h GLU 21 CO -0.04 1.09 0.04 0.28 -1.00 0.00 0.00 179.01 179.38 1iq6 h VAL 22 N 0.86 1.25 -0.47 3.13 2.07 -1.03 -0.66 116.25 121.40 1iq6 h VAL 22 Ca 0.12 -0.99 -0.10 0.00 0.82 0.00 0.00 66.70 66.55 1iq6 h VAL 22 Cb 0.75 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1iq6 h VAL 22 CO 0.06 0.36 -0.12 0.00 0.02 0.00 0.00 177.57 177.88 1iq6 h ALA 23 N 1.22 0.90 -0.67 1.67 0.00 -0.90 -0.63 119.26 120.85 1iq6 h ALA 23 Ca 0.16 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1iq6 h ALA 23 Cb 0.43 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1iq6 h ALA 23 CO 0.02 0.63 0.13 0.00 0.00 0.00 0.00 179.25 180.03 1iq6 h ALA 24 N 1.08 0.89 -0.27 0.00 0.00 -0.61 -2.11 119.26 118.24 1iq6 h ALA 24 Ca 0.12 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1iq6 h ALA 24 Cb 0.64 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1iq6 h ALA 24 CO 0.04 0.63 -0.33 0.35 0.00 0.00 0.00 179.25 179.95 1iq6 h PHE 25 N 1.02 0.67 -0.89 0.00 3.57 -0.87 -2.43 116.94 118.01 1iq6 h PHE 25 Ca 0.21 -0.17 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1iq6 h PHE 25 Cb 0.41 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 1iq6 h PHE 25 CO 0.03 0.84 0.59 0.00 -2.23 0.00 0.00 178.31 177.54 1iq6 h ALA 26 N 1.15 1.13 -0.66 2.41 0.00 -0.71 0.32 119.26 122.90 1iq6 h ALA 26 Ca 0.06 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1iq6 h ALA 26 Cb 0.81 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1iq6 h ALA 26 CO 0.07 0.53 0.09 0.00 0.00 0.00 0.00 179.25 179.93 1iq6 h ALA 27 N 1.33 0.88 -0.19 0.00 0.00 -1.11 0.23 119.26 120.39 1iq6 h ALA 27 Ca 0.33 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1iq6 h ALA 27 Cb -0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1iq6 h ALA 27 CO -0.07 0.66 -0.11 -0.07 0.00 0.00 0.00 179.25 179.66 1iq6 h LEU 28 N 1.02 0.42 0.00 0.00 3.38 -0.94 -3.28 115.31 115.92 1iq6 h LEU 28 Ca 0.20 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1iq6 h LEU 28 Cb 0.47 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1iq6 h LEU 28 CO 0.02 0.76 -0.22 0.77 0.09 0.00 0.00 178.44 179.86 1iq6 h SER 29 N 0.09 0.00 -0.26 -0.43 4.64 -0.92 -3.47 113.55 113.20 1iq6 h SER 29 Ca 0.04 -0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1iq6 h SER 29 Cb 0.61 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.66 1iq6 h SER 29 CO 0.03 0.02 -0.10 -0.62 -0.87 0.00 0.00 176.83 175.29 1iq6 n GLU 30 N -2.47 -0.68 -3.33 4.77 -0.58 0.76 -4.97 120.64 114.14 1iq6 n GLU 30 Ca 0.04 0.58 -0.46 0.00 -0.42 0.00 0.00 57.16 56.90 1iq6 n GLU 30 Cb 0.47 -4.35 -0.04 0.00 -0.57 0.00 0.00 31.44 26.95 1iq6 n GLU 30 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1iq6 s ASP 31 N -2.57 6.47 -0.62 1.62 -1.08 -0.99 -4.92 116.67 114.58 1iq6 s ASP 31 Ca 0.00 -2.25 -0.01 0.00 -0.52 0.00 0.00 52.55 49.77 1iq6 s ASP 31 Cb 0.00 -2.21 0.47 0.00 -1.46 0.00 0.00 42.92 39.73 1iq6 s ASP 31 CO 0.00 -0.71 1.97 0.49 0.52 0.00 0.00 175.17 177.43 1iq6 n PHE 32 N 4.59 3.17 -1.70 -5.34 3.01 -1.26 -4.45 117.46 115.47 1iq6 n PHE 32 Ca 0.00 -2.86 -0.42 0.00 1.01 0.00 0.00 57.45 55.18 1iq6 n PHE 32 Cb 0.43 -1.33 -0.03 0.00 -0.01 0.00 0.00 39.48 38.55 1iq6 n PHE 32 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1iq6 n ASN 33 N -0.93 4.06 0.32 4.37 2.85 -1.26 -4.85 115.26 119.82 1iq6 n ASN 33 Ca 0.61 1.00 0.20 0.00 -0.11 0.00 0.00 54.58 56.28 1iq6 n ASN 33 Cb 0.78 -1.56 1.06 0.00 1.24 0.00 0.00 39.78 41.31 1iq6 n ASN 33 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1iq6 h PRO 34 N 8.22 0.00 0.00 1.20 0.13 -1.95 -1.00 132.00 138.60 1iq6 h PRO 34 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1iq6 h PRO 34 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1iq6 h PRO 34 CO 0.95 0.01 -0.07 1.25 -0.23 0.00 0.00 178.00 179.91 1iq6 h LEU 35 N 0.00 0.00 0.00 1.56 5.85 -1.89 0.82 115.31 121.66 1iq6 h LEU 35 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1iq6 h LEU 35 Cb 0.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1iq6 h LEU 35 CO 0.00 0.07 -1.69 1.41 -0.34 0.00 0.00 178.44 177.89 1iq6 n HIS 36 N -3.84 0.42 -0.00 1.25 8.25 -0.39 -1.70 115.22 119.20 1iq6 n HIS 36 Ca -0.02 0.13 0.01 0.00 -0.26 0.00 0.00 57.72 57.57 1iq6 n HIS 36 Cb 0.17 -0.79 -0.02 0.00 1.12 0.00 0.00 29.99 30.46 1iq6 n HIS 36 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1iq6 n LEU 37 N -2.54 0.00 -4.20 2.41 4.77 -0.81 -4.59 117.00 112.03 1iq6 n LEU 37 Ca -0.08 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.53 1iq6 n LEU 37 Cb 0.69 0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.67 1iq6 n LEU 37 CO 0.44 0.02 -0.26 -0.62 -1.33 0.00 0.00 177.39 175.63 1iq6 s ASP 38 N -2.57 5.19 0.28 -1.43 -1.08 0.28 -4.98 116.67 112.35 1iq6 s ASP 38 Ca -0.01 -1.41 -0.01 0.00 -0.52 0.00 0.00 52.55 50.59 1iq6 s ASP 38 Cb 0.02 -1.82 0.45 0.00 -1.46 0.00 0.00 42.92 40.10 1iq6 s ASP 38 CO 0.12 -0.37 1.89 -0.65 0.52 0.00 0.00 175.17 176.67 1iq6 h PRO 39 N 8.12 1.10 -0.37 4.34 0.11 -1.94 0.02 132.00 143.39 1iq6 h PRO 39 Ca -0.20 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1iq6 h PRO 39 Cb 1.07 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1iq6 h PRO 39 CO 0.61 0.73 0.13 0.00 -0.21 0.00 0.00 178.00 179.26 1iq6 h ALA 40 N 1.47 0.48 -0.10 -0.75 0.00 -1.94 -2.32 119.26 116.10 1iq6 h ALA 40 Ca 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1iq6 h ALA 40 Cb 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1iq6 h ALA 40 CO -0.17 0.10 0.01 0.35 0.00 0.00 0.00 179.25 179.54 1iq6 h PHE 41 N 0.44 0.18 -0.86 0.00 3.57 -1.76 -3.01 116.94 115.50 1iq6 h PHE 41 Ca 0.12 -0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.78 1iq6 h PHE 41 Cb 0.22 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 1iq6 h PHE 41 CO 0.00 0.37 0.57 0.00 -2.23 0.00 0.00 178.31 177.03 1iq6 h ALA 42 N 0.78 2.19 0.00 2.41 0.00 -0.92 0.06 119.26 123.78 1iq6 h ALA 42 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1iq6 h ALA 42 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1iq6 h ALA 42 CO 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.80 1iq6 h ALA 43 N 1.62 1.00 -0.04 0.00 0.00 -1.27 -1.71 119.26 118.86 1iq6 h ALA 43 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1iq6 h ALA 43 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1iq6 h ALA 43 CO -0.16 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.34 1iq6 n THR 44 N -2.99 0.03 -3.93 0.00 -2.24 0.01 -4.74 114.28 100.41 1iq6 n THR 44 Ca -0.01 -0.29 -0.23 0.00 -2.27 0.00 0.00 64.05 61.25 1iq6 n THR 44 Cb 0.17 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 1iq6 n THR 44 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1iq6 s THR 45 N -1.97 2.51 0.34 4.28 -4.23 -0.66 -5.01 115.64 110.89 1iq6 s THR 45 Ca 0.37 -1.57 0.38 0.00 -1.18 0.00 0.00 61.69 59.68 1iq6 s THR 45 Cb 0.21 -3.00 0.41 0.00 1.34 0.00 0.00 72.50 71.46 1iq6 s THR 45 CO 0.32 -0.02 2.15 0.00 -0.54 0.00 0.00 174.62 176.53 1iq6 h ALA 46 N 1.30 1.01 0.00 3.99 0.00 -1.91 -1.65 119.26 122.01 1iq6 h ALA 46 Ca -0.42 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1iq6 h ALA 46 Cb 1.26 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1iq6 h ALA 46 CO 0.65 0.00 -0.32 0.74 0.00 0.00 0.00 179.25 180.33 1iq6 h PHE 47 N 0.00 0.00 0.00 0.00 -1.00 -1.95 -3.46 116.94 110.52 1iq6 h PHE 47 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1iq6 h PHE 47 Cb 0.30 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.86 1iq6 h PHE 47 CO 0.00 0.32 0.00 0.39 -1.61 0.00 0.00 178.31 177.41 1iq6 n GLU 48 N -3.38 0.00 -4.08 1.51 1.02 -0.62 -4.83 120.64 110.26 1iq6 n GLU 48 Ca 0.01 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.07 1iq6 n GLU 48 Cb 0.52 -1.14 -0.10 0.00 -0.02 0.00 0.00 31.44 30.70 1iq6 n GLU 48 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1iq6 s ARG 49 N 0.00 0.58 0.38 3.49 0.52 -1.25 -2.92 118.95 119.75 1iq6 s ARG 49 Ca 0.00 -1.14 -0.28 0.00 -0.52 0.00 0.00 55.73 53.80 1iq6 s ARG 49 Cb 0.00 0.16 -0.11 0.00 0.52 0.00 0.00 34.95 35.52 1iq6 s ARG 49 CO 0.00 -0.09 1.41 -2.30 0.02 0.00 0.00 175.30 174.34 1iq6 n PRO 50 N 0.32 2.43 -4.35 3.54 -0.02 -1.26 -4.92 135.00 130.74 1iq6 n PRO 50 Ca -0.15 0.85 -0.26 0.00 -2.02 0.00 0.00 63.50 61.92 1iq6 n PRO 50 Cb 0.60 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.43 1iq6 n PRO 50 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1iq6 s ILE 51 N -1.13 2.87 0.28 4.25 -4.36 -0.69 -1.18 121.20 121.24 1iq6 s ILE 51 Ca 0.55 -1.88 -0.29 0.00 -0.26 0.00 0.00 60.65 58.77 1iq6 s ILE 51 Cb -0.50 -2.43 -0.09 0.00 1.25 0.00 0.00 42.46 40.69 1iq6 s ILE 51 CO 0.62 -0.17 0.99 -0.69 0.24 0.00 0.00 174.94 175.94 1iq6 s VAL 52 N -1.84 3.90 0.22 8.37 1.01 0.13 -4.15 120.40 128.05 1iq6 s VAL 52 Ca 0.25 1.82 -0.32 0.00 0.00 0.00 0.00 61.98 63.73 1iq6 s VAL 52 Cb -0.08 -4.12 -0.13 0.00 0.00 0.00 0.00 36.38 32.05 1iq6 s VAL 52 CO 0.14 0.36 1.45 1.41 0.00 0.00 0.00 175.10 178.46 1iq6 n HIS 53 N 1.12 2.21 -0.25 5.22 -0.00 -1.26 -4.71 115.22 117.55 1iq6 n HIS 53 Ca -0.01 0.39 0.06 0.00 -0.00 0.00 0.00 57.72 58.17 1iq6 n HIS 53 Cb 0.47 -2.48 0.30 0.00 -0.00 0.00 0.00 29.99 28.28 1iq6 n HIS 53 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1iq6 h GLY 54 N 4.59 1.16 2.00 -1.41 0.00 -1.99 -0.87 103.07 106.56 1iq6 h GLY 54 Ca -0.45 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1iq6 h GLY 54 CO 0.79 0.25 0.00 -0.33 0.00 0.00 0.00 176.54 177.24 1iq6 h MET 55 N 0.88 0.00 0.01 4.80 2.86 -1.98 -0.86 114.93 120.65 1iq6 h MET 55 Ca 0.36 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.74 1iq6 h MET 55 Cb 0.27 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.95 1iq6 h MET 55 CO -0.14 0.00 -1.06 1.25 1.06 0.00 0.00 176.91 178.03 1iq6 h LEU 56 N 0.00 0.89 -0.28 1.22 5.85 -1.54 -1.91 115.31 119.54 1iq6 h LEU 56 Ca 0.00 -0.72 -0.01 0.00 0.84 0.00 0.00 57.88 57.99 1iq6 h LEU 56 Cb 0.65 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1iq6 h LEU 56 CO 0.00 1.52 0.14 -0.07 -0.34 0.00 0.00 178.44 179.69 1iq6 h LEU 57 N 0.38 0.35 -2.14 2.25 3.38 -1.02 -2.55 115.31 115.96 1iq6 h LEU 57 Ca -0.13 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1iq6 h LEU 57 Cb 1.71 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 1iq6 h LEU 57 CO 0.21 0.36 -0.07 0.00 0.09 0.00 0.00 178.44 179.02 1iq6 h ALA 58 N 1.01 1.37 -0.01 1.53 0.00 -1.14 -2.46 119.26 119.56 1iq6 h ALA 58 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1iq6 h ALA 58 Cb 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1iq6 h ALA 58 CO -0.01 0.09 0.01 0.66 0.00 0.00 0.00 179.25 180.00 1iq6 h SER 59 N 0.00 0.00 0.09 0.00 4.64 -0.89 -1.16 113.55 116.22 1iq6 h SER 59 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1iq6 h SER 59 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1iq6 h SER 59 CO 0.01 0.00 -0.04 -0.07 -0.87 0.00 0.00 176.83 175.86 1iq6 h LEU 60 N 0.00 0.00 -1.08 5.97 3.38 -1.55 -0.05 115.31 121.98 1iq6 h LEU 60 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1iq6 h LEU 60 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1iq6 h LEU 60 CO -0.00 0.04 -0.11 -0.26 0.09 0.00 0.00 178.44 178.20 1iq6 h PHE 61 N 0.00 0.56 -0.43 1.13 0.05 -1.41 -0.72 116.94 116.12 1iq6 h PHE 61 Ca -0.00 -0.08 -0.11 0.00 3.82 0.00 0.00 57.97 61.60 1iq6 h PHE 61 Cb 0.10 -0.15 -0.02 0.00 2.00 0.00 0.00 35.95 37.88 1iq6 h PHE 61 CO 0.00 0.62 -0.17 1.03 -0.18 0.00 0.00 178.31 179.61 1iq6 h SER 62 N 0.48 0.83 -0.57 2.17 0.87 -1.13 -0.09 113.55 116.10 1iq6 h SER 62 Ca 0.09 -0.28 -0.04 0.00 -1.23 0.00 0.00 61.79 60.33 1iq6 h SER 62 Cb 0.49 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1iq6 h SER 62 CO 0.03 0.99 0.19 1.23 -0.53 0.00 0.00 176.83 178.74 1iq6 h GLY 63 N 0.96 0.95 0.79 5.77 0.00 -1.11 0.95 103.07 111.37 1iq6 h GLY 63 Ca 0.11 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 1iq6 h GLY 63 CO 0.05 0.51 -0.07 1.41 0.00 0.00 0.00 176.54 178.44 1iq6 h LEU 64 N 0.80 0.38 -0.39 3.11 3.38 -0.89 -1.31 115.31 120.38 1iq6 h LEU 64 Ca 0.19 -0.40 -0.16 0.00 0.09 0.00 0.00 57.88 57.60 1iq6 h LEU 64 Cb 0.26 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1iq6 h LEU 64 CO -0.01 0.69 -0.42 -0.07 0.09 0.00 0.00 178.44 178.72 1iq6 h LEU 65 N 0.07 0.97 0.00 1.67 3.38 -0.97 -0.31 115.31 120.12 1iq6 h LEU 65 Ca 0.04 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 1iq6 h LEU 65 Cb 0.54 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1iq6 h LEU 65 CO 0.02 1.25 -0.28 1.23 0.09 0.00 0.00 178.44 180.76 1iq6 h GLY 66 N 0.78 0.00 0.00 0.83 0.00 -0.86 0.15 103.07 103.98 1iq6 h GLY 66 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1iq6 h GLY 66 CO 0.10 0.00 -0.23 -1.06 0.00 0.00 0.00 176.54 175.35 1iq6 n GLN 67 N -3.06 5.41 0.00 4.80 1.13 -0.50 -1.77 117.38 123.40 1iq6 n GLN 67 Ca 0.03 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1iq6 n GLN 67 Cb 0.58 -0.63 0.00 0.00 0.11 0.00 0.00 30.24 30.30 1iq6 n GLN 67 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1iq6 n GLN 68 N -1.12 0.00 -3.79 -1.09 6.02 -0.28 -4.68 117.38 112.43 1iq6 n GLN 68 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 1iq6 n GLN 68 Cb 0.01 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.10 1iq6 n GLN 68 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1iq6 s LEU 69 N -4.54 0.86 0.39 1.08 1.43 -0.28 -3.20 118.68 114.41 1iq6 s LEU 69 Ca 0.00 -0.31 0.28 0.00 -1.03 0.00 0.00 54.13 53.07 1iq6 s LEU 69 Cb 0.00 -0.56 1.12 0.00 0.03 0.00 0.00 46.19 46.78 1iq6 s LEU 69 CO 0.00 -0.21 1.83 -0.65 0.23 0.00 0.00 176.35 177.55 1iq6 h PRO 70 N 8.27 0.00 0.00 1.29 0.11 -1.79 -3.33 132.00 136.56 1iq6 h PRO 70 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1iq6 h PRO 70 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1iq6 h PRO 70 CO 0.31 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.51 1iq6 n GLY 71 N 0.11 -1.79 3.56 -0.55 0.00 0.52 -4.90 105.19 102.14 1iq6 n GLY 71 Ca 0.02 -1.92 -0.49 0.00 0.00 0.00 0.00 46.02 43.62 1iq6 n GLY 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1iq6 n LYS 72 N 0.00 1.01 0.00 1.61 2.85 -0.73 -1.62 118.16 121.29 1iq6 n LYS 72 Ca 0.00 0.36 0.00 0.00 -1.05 0.00 0.00 58.31 57.62 1iq6 n LYS 72 Cb 0.00 -1.82 0.00 0.00 -0.65 0.00 0.00 35.03 32.56 1iq6 n LYS 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1iq6 n GLY 73 N 1.96 2.73 3.76 2.58 0.00 -1.26 -4.72 105.19 110.24 1iq6 n GLY 73 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1iq6 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iq6 s SER 74 N -1.28 5.43 -0.05 1.61 0.01 -0.64 -4.31 113.70 114.48 1iq6 s SER 74 Ca 0.00 2.31 0.01 0.00 1.31 0.00 0.00 55.95 59.58 1iq6 s SER 74 Cb 0.00 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.66 1iq6 s SER 74 CO 0.00 -1.42 -0.06 -0.63 0.41 0.00 0.00 173.24 171.54 1iq6 s ILE 75 N -1.65 0.66 0.25 1.44 1.01 -0.90 -4.95 121.20 117.07 1iq6 s ILE 75 Ca 0.75 -0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.91 1iq6 s ILE 75 Cb -0.28 -0.67 -0.10 0.00 0.01 0.00 0.00 42.46 41.42 1iq6 s ILE 75 CO 0.31 0.26 1.41 -0.31 0.00 0.00 0.00 174.94 176.60 1iq6 s TYR 76 N 0.94 3.05 -0.06 3.97 4.12 -1.26 -0.43 117.35 127.69 1iq6 s TYR 76 Ca -0.10 1.09 0.01 0.00 0.02 0.00 0.00 57.07 58.09 1iq6 s TYR 76 Cb -0.14 -3.78 -0.05 0.00 -1.52 0.00 0.00 41.96 36.47 1iq6 s TYR 76 CO 0.00 -2.48 -0.04 1.28 0.02 0.00 0.00 175.55 174.34 1iq6 n LEU 77 N 2.23 2.26 -3.45 -1.29 4.77 0.06 -4.86 117.00 116.71 1iq6 n LEU 77 Ca 0.06 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 1iq6 n LEU 77 Cb 0.41 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 1iq6 n LEU 77 CO 0.60 0.49 0.46 -0.83 -1.33 0.00 0.00 177.39 176.78 1iq6 s GLY 78 N -4.38 -0.58 -0.22 -0.72 0.00 -0.68 -4.96 107.32 95.78 1iq6 s GLY 78 Ca -0.07 0.76 -0.10 0.00 0.00 0.00 0.00 44.72 45.30 1iq6 s GLY 78 CO 0.16 0.36 0.50 1.62 0.00 0.00 0.00 173.10 175.74 1iq6 s GLN 79 N -3.12 0.46 -0.01 2.90 2.00 -1.26 -0.93 119.66 119.70 1iq6 s GLN 79 Ca -0.01 1.05 0.01 0.00 -2.00 0.00 0.00 55.36 54.41 1iq6 s GLN 79 Cb -0.01 0.25 -0.04 0.00 0.80 0.00 0.00 33.01 34.01 1iq6 s GLN 79 CO -0.08 -0.19 0.02 -1.54 -0.50 0.00 0.00 175.29 173.00 1iq6 s SER 80 N 2.03 5.26 -0.03 6.67 1.04 0.07 -4.97 113.70 123.78 1iq6 s SER 80 Ca -0.07 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1iq6 s SER 80 Cb -0.09 -1.42 0.03 0.00 0.10 0.00 0.00 66.02 64.64 1iq6 s SER 80 CO -0.15 0.29 0.01 -0.76 0.98 0.00 0.00 173.24 173.61 1iq6 s LEU 81 N -1.52 1.10 -0.17 2.42 1.43 -1.26 -3.18 118.68 117.50 1iq6 s LEU 81 Ca 0.20 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1iq6 s LEU 81 Cb -0.12 -0.15 0.03 0.00 0.03 0.00 0.00 46.19 45.98 1iq6 s LEU 81 CO 0.10 -0.12 -0.15 -0.44 0.23 0.00 0.00 176.35 175.97 1iq6 s SER 82 N 1.08 2.93 -0.39 2.29 0.01 0.31 -4.98 113.70 114.95 1iq6 s SER 82 Ca -0.09 -0.60 -0.18 0.00 1.31 0.00 0.00 55.95 56.39 1iq6 s SER 82 Cb -0.13 -1.27 0.01 0.00 0.21 0.00 0.00 66.02 64.83 1iq6 s SER 82 CO -0.02 -0.06 0.48 -0.36 0.41 0.00 0.00 173.24 173.69 1iq6 s PHE 83 N 1.42 3.16 -0.26 2.43 0.40 -1.26 -1.68 117.98 122.18 1iq6 s PHE 83 Ca 0.04 -0.09 -0.07 0.00 -0.60 0.00 0.00 56.93 56.21 1iq6 s PHE 83 Cb -0.13 -2.94 -0.14 0.00 0.51 0.00 0.00 43.02 40.32 1iq6 s PHE 83 CO -0.11 -0.63 -0.29 1.63 0.70 0.00 0.00 175.22 176.52 1iq6 n LYS 84 N 5.72 0.60 -4.21 0.44 4.76 0.58 -5.01 118.16 121.03 1iq6 n LYS 84 Ca -0.06 0.20 -0.17 0.00 -2.87 0.00 0.00 58.31 55.41 1iq6 n LYS 84 Cb 0.48 -1.48 -0.11 0.00 -1.84 0.00 0.00 35.03 32.08 1iq6 n LYS 84 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1iq6 s LEU 85 N -7.01 2.37 0.41 -0.35 1.43 -1.06 -5.01 118.68 109.46 1iq6 s LEU 85 Ca -0.36 -0.77 -0.21 0.00 -1.03 0.00 0.00 54.13 51.76 1iq6 s LEU 85 Cb 0.12 -0.49 -0.11 0.00 0.03 0.00 0.00 46.19 45.74 1iq6 s LEU 85 CO 0.52 -0.15 0.94 -2.16 0.23 0.00 0.00 176.35 175.73 1iq6 s PRO 86 N -2.48 4.27 -0.18 1.29 0.04 -1.26 -4.78 135.00 131.90 1iq6 s PRO 86 Ca 0.06 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1iq6 s PRO 86 Cb -0.06 -2.28 0.01 0.00 0.04 0.00 0.00 34.50 32.22 1iq6 s PRO 86 CO 0.02 0.02 -0.17 0.08 0.04 0.00 0.00 177.00 176.99 1iq6 s VAL 87 N -2.09 2.33 0.19 -0.36 1.01 -1.26 -5.03 120.40 115.19 1iq6 s VAL 87 Ca 0.60 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 1iq6 s VAL 87 Cb -0.10 -1.99 -0.08 0.00 0.00 0.00 0.00 36.38 34.20 1iq6 s VAL 87 CO 0.15 0.52 0.93 -0.36 0.00 0.00 0.00 175.10 176.34 1iq6 s PHE 88 N 1.25 3.93 0.24 5.22 0.08 -1.26 0.18 117.98 127.61 1iq6 s PHE 88 Ca 0.03 1.86 -0.31 0.00 0.12 0.00 0.00 56.93 58.63 1iq6 s PHE 88 Cb -0.14 -2.98 -0.13 0.00 -0.57 0.00 0.00 43.02 39.20 1iq6 s PHE 88 CO -0.09 0.39 1.50 0.28 -0.10 0.00 0.00 175.22 177.19 1iq6 n VAL 89 N 1.91 0.79 0.00 -0.44 0.31 -0.33 -1.34 118.33 119.23 1iq6 n VAL 89 Ca -0.01 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1iq6 n VAL 89 Cb 0.48 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 1iq6 n VAL 89 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1iq6 n GLY 90 N 2.43 1.56 3.89 2.92 0.00 -0.56 -4.96 105.19 110.47 1iq6 n GLY 90 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1iq6 n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iq6 s ASP 91 N -1.56 6.51 0.38 1.61 1.01 -0.45 -4.90 116.67 119.28 1iq6 s ASP 91 Ca 0.00 0.58 -0.11 0.00 0.71 0.00 0.00 52.55 53.74 1iq6 s ASP 91 Cb 0.00 -2.09 -0.07 0.00 1.01 0.00 0.00 42.92 41.77 1iq6 s ASP 91 CO 0.00 0.16 0.75 -0.70 0.21 0.00 0.00 175.17 175.59 1iq6 s GLU 92 N -2.19 3.81 0.15 8.23 2.12 -1.26 -3.98 118.70 125.57 1iq6 s GLU 92 Ca 0.34 0.48 0.02 0.00 0.36 0.00 0.00 54.97 56.18 1iq6 s GLU 92 Cb -0.13 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.81 1iq6 s GLU 92 CO 0.21 0.01 -0.04 0.14 -0.54 0.00 0.00 175.26 175.04 1iq6 s VAL 93 N -2.29 0.77 -0.14 3.70 -7.23 -0.64 -2.92 120.40 111.64 1iq6 s VAL 93 Ca 0.51 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 1iq6 s VAL 93 Cb -0.10 -1.95 0.02 0.00 0.56 0.00 0.00 36.38 34.90 1iq6 s VAL 93 CO 0.29 -0.64 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.36 1iq6 s THR 94 N -3.59 1.86 -0.10 5.32 2.01 -0.61 -1.99 115.64 118.53 1iq6 s THR 94 Ca 0.19 -0.84 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 1iq6 s THR 94 Cb 0.05 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 1iq6 s THR 94 CO 0.01 0.51 0.04 0.00 -0.69 0.00 0.00 174.62 174.48 1iq6 s ALA 95 N 1.08 3.42 -0.06 7.40 0.00 0.20 -0.51 121.76 133.29 1iq6 s ALA 95 Ca -0.02 -0.76 -0.07 0.00 0.00 0.00 0.00 51.96 51.11 1iq6 s ALA 95 Cb -0.14 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.36 1iq6 s ALA 95 CO -0.06 0.55 0.19 -2.00 0.00 0.00 0.00 175.76 174.43 1iq6 s GLU 96 N -0.76 0.28 0.05 0.00 2.12 -0.06 -1.33 118.70 119.00 1iq6 s GLU 96 Ca 0.12 0.15 0.08 0.00 0.36 0.00 0.00 54.97 55.68 1iq6 s GLU 96 Cb -0.12 0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.38 1iq6 s GLU 96 CO 0.02 -0.05 -0.22 0.14 -0.54 0.00 0.00 175.26 174.62 1iq6 s VAL 97 N -0.17 1.80 -0.03 3.70 -7.23 -0.28 -1.16 120.40 117.03 1iq6 s VAL 97 Ca -0.03 -1.27 -0.00 0.00 -1.81 0.00 0.00 61.98 58.87 1iq6 s VAL 97 Cb -0.02 -1.56 0.03 0.00 0.56 0.00 0.00 36.38 35.38 1iq6 s VAL 97 CO 0.01 0.24 0.03 -0.70 -0.31 0.00 0.00 175.10 174.37 1iq6 s GLU 98 N -1.23 -0.02 -0.01 4.82 2.12 -0.57 -1.67 118.70 122.13 1iq6 s GLU 98 Ca 0.09 0.22 -0.30 0.00 0.36 0.00 0.00 54.97 55.33 1iq6 s GLU 98 Cb -0.09 -0.32 -0.06 0.00 0.26 0.00 0.00 34.13 33.92 1iq6 s GLU 98 CO 0.02 -0.20 1.50 0.08 -0.54 0.00 0.00 175.26 176.12 1iq6 s VAL 99 N 1.30 3.59 -0.11 3.70 1.01 -0.16 -0.66 120.40 129.07 1iq6 s VAL 99 Ca -0.06 0.92 0.09 0.00 0.00 0.00 0.00 61.98 62.92 1iq6 s VAL 99 Cb -0.13 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.54 1iq6 s VAL 99 CO -0.03 -0.03 0.23 0.35 0.00 0.00 0.00 175.10 175.62 1iq6 n THR 100 N 4.93 0.00 -3.54 3.92 -2.24 -0.00 -0.94 114.28 116.40 1iq6 n THR 100 Ca 0.15 -0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.56 1iq6 n THR 100 Cb 0.43 0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 69.08 1iq6 n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iq6 s ALA 101 N -2.39 -1.85 -0.09 6.98 0.00 -1.09 -4.94 121.76 118.39 1iq6 s ALA 101 Ca -0.02 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.38 1iq6 s ALA 101 Cb 0.06 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1iq6 s ALA 101 CO 0.35 -0.36 -0.14 -0.51 0.00 0.00 0.00 175.76 175.11 1iq6 s LEU 102 N -1.23 1.65 0.29 0.00 1.43 -1.26 -1.08 118.68 118.48 1iq6 s LEU 102 Ca -0.06 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 1iq6 s LEU 102 Cb -0.00 -0.97 -0.10 0.00 0.03 0.00 0.00 46.19 45.15 1iq6 s LEU 102 CO 0.05 0.02 1.29 -0.60 0.23 0.00 0.00 176.35 177.33 1iq6 s ARG 103 N 0.90 4.40 0.20 1.70 3.52 -0.12 -4.93 118.95 124.62 1iq6 s ARG 103 Ca -0.09 2.13 0.11 0.00 -0.13 0.00 0.00 55.73 57.74 1iq6 s ARG 103 Cb -0.15 -3.12 -0.03 0.00 -1.56 0.00 0.00 34.95 30.09 1iq6 s ARG 103 CO 0.01 -0.16 1.38 1.49 -0.81 0.00 0.00 175.30 177.21 1iq6 h GLU 104 N 4.00 0.00 -0.25 5.12 4.81 -2.00 -3.34 114.58 122.92 1iq6 h GLU 104 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1iq6 h GLU 104 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1iq6 h GLU 104 CO 0.69 0.77 0.00 -0.40 -0.73 0.00 0.00 179.01 179.34 1iq6 n ASP 105 N -3.34 2.72 -3.76 1.04 5.75 -1.26 -4.99 116.55 112.70 1iq6 n ASP 105 Ca 0.01 -1.82 -0.13 0.00 -0.01 0.00 0.00 54.79 52.84 1iq6 n ASP 105 Cb 0.82 -0.16 -0.09 0.00 -1.03 0.00 0.00 41.12 40.66 1iq6 n ASP 105 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1iq6 s LYS 106 N -1.07 0.62 -1.23 0.11 -0.14 -1.25 -5.05 119.74 111.72 1iq6 s LYS 106 Ca 0.23 -0.10 -0.14 0.00 -1.36 0.00 0.00 55.97 54.60 1iq6 s LYS 106 Cb 0.13 0.28 -0.05 0.00 -1.68 0.00 0.00 37.83 36.51 1iq6 s LYS 106 CO 0.19 -0.16 2.26 -0.35 -0.76 0.00 0.00 175.35 176.53 1iq6 n PRO 107 N 1.54 2.53 -4.46 -1.68 -0.04 -1.26 -4.27 135.00 127.35 1iq6 n PRO 107 Ca -0.20 -2.18 -0.20 0.00 -0.04 0.00 0.00 63.50 60.88 1iq6 n PRO 107 Cb 0.56 -3.00 -0.15 0.00 -0.04 0.00 0.00 33.50 30.88 1iq6 n PRO 107 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1iq6 s ILE 108 N 3.54 0.85 0.08 0.52 1.01 -1.26 -0.91 121.20 125.03 1iq6 s ILE 108 Ca 0.53 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.80 1iq6 s ILE 108 Cb 0.14 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.86 1iq6 s ILE 108 CO -0.02 0.25 -0.19 0.00 0.00 0.00 0.00 174.94 174.98 1iq6 s ALA 109 N -0.17 1.59 -0.09 9.38 0.00 -0.27 -0.94 121.76 131.27 1iq6 s ALA 109 Ca 0.03 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1iq6 s ALA 109 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1iq6 s ALA 109 CO -0.00 0.31 -0.16 0.99 0.00 0.00 0.00 175.76 176.90 1iq6 s THR 110 N -1.10 2.84 0.01 0.00 2.01 -0.24 -0.93 115.64 118.23 1iq6 s THR 110 Ca 0.04 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.30 1iq6 s THR 110 Cb -0.10 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.27 1iq6 s THR 110 CO 0.03 0.56 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.68 1iq6 s LEU 111 N -0.11 2.10 0.08 4.42 1.02 0.25 -0.82 118.68 125.62 1iq6 s LEU 111 Ca -0.02 -0.28 -0.26 0.00 0.02 0.00 0.00 54.13 53.58 1iq6 s LEU 111 Cb -0.14 -0.34 -0.06 0.00 0.02 0.00 0.00 46.19 45.67 1iq6 s LEU 111 CO 0.04 0.00 0.82 -0.89 0.02 0.00 0.00 176.35 176.34 1iq6 s THR 112 N -0.57 4.60 -0.17 5.49 2.01 0.16 -0.29 115.64 126.87 1iq6 s THR 112 Ca -0.01 1.77 0.01 0.00 0.31 0.00 0.00 61.69 63.77 1iq6 s THR 112 Cb -0.05 -4.18 0.02 0.00 0.01 0.00 0.00 72.50 68.30 1iq6 s THR 112 CO 0.00 0.38 -0.20 0.42 -0.69 0.00 0.00 174.62 174.53 1iq6 s THR 113 N -0.23 2.12 0.03 -0.82 -4.23 0.10 -1.52 115.64 111.09 1iq6 s THR 113 Ca 0.40 -0.93 0.03 0.00 -1.18 0.00 0.00 61.69 60.01 1iq6 s THR 113 Cb -0.22 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.73 1iq6 s THR 113 CO 0.25 0.54 -0.09 -0.13 -0.54 0.00 0.00 174.62 174.65 1iq6 s ARG 114 N 1.16 0.60 -0.12 3.99 0.52 -0.31 -1.63 118.95 123.16 1iq6 s ARG 114 Ca 0.02 -0.61 0.02 0.00 -0.52 0.00 0.00 55.73 54.64 1iq6 s ARG 114 Cb -0.14 -0.49 0.01 0.00 0.52 0.00 0.00 34.95 34.85 1iq6 s ARG 114 CO -0.09 0.11 -0.20 0.42 0.02 0.00 0.00 175.30 175.56 1iq6 s ILE 115 N -0.92 1.85 -0.01 1.52 -1.09 -0.04 -0.88 121.20 121.63 1iq6 s ILE 115 Ca -0.04 -0.86 0.03 0.00 -2.23 0.00 0.00 60.65 57.55 1iq6 s ILE 115 Cb -0.07 -1.65 -0.03 0.00 -1.58 0.00 0.00 42.46 39.12 1iq6 s ILE 115 CO 0.01 0.51 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.81 1iq6 s PHE 116 N 0.83 2.92 0.95 3.97 0.40 0.34 -0.48 117.98 126.91 1iq6 s PHE 116 Ca -0.08 -0.01 -0.14 0.00 -0.60 0.00 0.00 56.93 56.10 1iq6 s PHE 116 Cb -0.16 -1.63 0.17 0.00 0.51 0.00 0.00 43.02 41.91 1iq6 s PHE 116 CO -0.01 0.37 1.18 0.95 0.70 0.00 0.00 175.22 178.42 1iq6 s THR 117 N -0.97 1.94 0.56 0.64 -4.23 0.41 -1.58 115.64 112.42 1iq6 s THR 117 Ca 0.16 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.91 1iq6 s THR 117 Cb -0.11 -2.80 0.32 0.00 1.34 0.00 0.00 72.50 71.25 1iq6 s THR 117 CO 0.07 0.00 2.20 1.56 -0.54 0.00 0.00 174.62 177.91 1iq6 h GLN 118 N -1.62 0.00 -0.00 3.99 4.20 -1.87 0.97 115.11 120.77 1iq6 h GLN 118 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1iq6 h GLN 118 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1iq6 h GLN 118 CO 0.53 0.00 -0.08 0.41 -0.67 0.00 0.00 178.83 179.02 1iq6 n GLY 119 N -1.42 -0.81 1.12 3.46 0.00 -1.26 -4.91 105.19 101.37 1iq6 n GLY 119 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1iq6 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iq6 n GLY 120 N 1.22 0.72 3.85 -0.02 0.00 0.34 -5.06 105.19 106.23 1iq6 n GLY 120 Ca 0.17 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1iq6 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iq6 s ALA 121 N -2.00 3.32 -0.52 4.61 0.00 -1.26 -4.73 121.76 121.17 1iq6 s ALA 121 Ca 0.00 0.03 -0.28 0.00 0.00 0.00 0.00 51.96 51.70 1iq6 s ALA 121 Cb 0.00 -2.77 0.02 0.00 0.00 0.00 0.00 23.12 20.36 1iq6 s ALA 121 CO 0.00 0.29 1.38 -1.17 0.00 0.00 0.00 175.76 176.26 1iq6 s LEU 122 N -3.08 3.46 -0.09 0.00 2.96 -1.26 -0.44 118.68 120.22 1iq6 s LEU 122 Ca 0.54 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.83 1iq6 s LEU 122 Cb -0.10 -3.20 -0.26 0.00 0.50 0.00 0.00 46.19 43.13 1iq6 s LEU 122 CO 0.19 -1.60 0.49 0.00 -1.32 0.00 0.00 176.35 174.11 1iq6 h ALA 123 N 10.75 0.49 -3.54 5.97 0.00 -1.08 -3.37 119.26 128.47 1iq6 h ALA 123 Ca -0.27 -1.37 -0.23 0.00 0.00 0.00 0.00 54.91 53.04 1iq6 h ALA 123 Cb 1.09 0.61 -0.29 0.00 0.00 0.00 0.00 17.79 19.20 1iq6 h ALA 123 CO 1.16 1.35 -0.66 0.08 0.00 0.00 0.00 179.25 181.18 1iq6 s VAL 124 N -2.57 -0.01 0.05 0.00 1.01 -1.03 -0.30 120.40 117.54 1iq6 s VAL 124 Ca -0.17 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 1iq6 s VAL 124 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.33 1iq6 s VAL 124 CO 0.80 0.02 0.08 0.28 0.00 0.00 0.00 175.10 176.27 1iq6 s THR 125 N 0.32 0.15 -3.15 3.92 -1.32 -0.68 -0.86 115.64 114.03 1iq6 s THR 125 Ca -0.02 -1.27 0.00 0.00 -1.21 0.00 0.00 61.69 59.18 1iq6 s THR 125 Cb -0.04 -1.10 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 1iq6 s THR 125 CO -0.01 -0.70 0.00 0.61 -2.21 0.00 0.00 174.62 172.31 1iq6 n GLY 126 N 0.50 -0.90 2.98 6.08 0.00 -0.65 -0.53 105.19 112.67 1iq6 n GLY 126 Ca -0.17 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 1iq6 n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iq6 s GLU 127 N -1.26 0.36 0.03 1.61 2.02 -1.19 -0.73 118.70 119.54 1iq6 s GLU 127 Ca 0.00 -0.42 0.07 0.00 0.02 0.00 0.00 54.97 54.64 1iq6 s GLU 127 Cb 0.00 -0.19 -0.03 0.00 0.10 0.00 0.00 34.13 34.01 1iq6 s GLU 127 CO 0.00 0.04 -0.19 0.00 0.02 0.00 0.00 175.26 175.13 1iq6 s ALA 128 N -0.78 2.53 -0.12 5.21 0.00 0.60 -0.75 121.76 128.45 1iq6 s ALA 128 Ca -0.06 -1.18 0.03 0.00 0.00 0.00 0.00 51.96 50.75 1iq6 s ALA 128 Cb -0.06 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.36 1iq6 s ALA 128 CO -0.00 0.56 -0.20 0.08 0.00 0.00 0.00 175.76 176.20 1iq6 s VAL 129 N -0.87 1.84 0.07 0.00 1.01 -0.11 -0.59 120.40 121.75 1iq6 s VAL 129 Ca 0.14 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1iq6 s VAL 129 Cb -0.10 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1iq6 s VAL 129 CO 0.04 0.51 -0.08 0.68 0.00 0.00 0.00 175.10 176.25 1iq6 s VAL 130 N 0.78 0.64 -0.03 2.92 -7.23 -0.11 -0.76 120.40 116.61 1iq6 s VAL 130 Ca -0.09 -1.45 -0.21 0.00 -1.81 0.00 0.00 61.98 58.42 1iq6 s VAL 130 Cb -0.16 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 1iq6 s VAL 130 CO 0.00 -0.58 0.59 -0.75 -0.31 0.00 0.00 175.10 174.06 1iq6 s LYS 131 N -2.53 4.33 0.68 4.82 2.20 0.43 -1.11 119.74 128.57 1iq6 s LYS 131 Ca -0.00 0.72 -0.14 0.00 -0.36 0.00 0.00 55.97 56.19 1iq6 s LYS 131 Cb -0.04 -3.37 0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1iq6 s LYS 131 CO -0.02 0.30 1.10 -0.51 -0.36 0.00 0.00 175.35 175.86 1iq6 s LEU 132 N 0.05 3.30 0.00 5.43 1.43 -0.09 -2.11 118.68 126.68 1iq6 s LEU 132 Ca 0.31 1.91 0.04 0.00 -1.03 0.00 0.00 54.13 55.37 1iq6 s LEU 132 Cb -0.18 -4.54 0.25 0.00 0.03 0.00 0.00 46.19 41.76 1iq6 s LEU 132 CO 0.16 -1.67 0.73 -2.65 0.23 0.00 0.00 176.35 173.15