#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqz s LYS 2 N 0.00 0.84 0.11 0.54 -0.14 -1.26 -4.27 119.74 115.56 1iqz s LYS 2 Ca 0.00 -0.52 0.07 0.00 -1.36 0.00 0.00 55.97 54.15 1iqz s LYS 2 Cb 0.00 -0.81 -0.04 0.00 -1.68 0.00 0.00 37.83 35.31 1iqz s LYS 2 CO 0.00 0.21 -0.16 0.71 -0.76 0.00 0.00 175.35 175.35 1iqz s TYR 3 N -0.52 1.51 0.07 3.18 1.51 0.02 -0.66 117.35 122.44 1iqz s TYR 3 Ca 0.02 -0.48 -0.08 0.00 -1.01 0.00 0.00 57.07 55.52 1iqz s TYR 3 Cb -0.06 -0.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.98 1iqz s TYR 3 CO 0.00 0.16 0.16 -0.08 -1.11 0.00 0.00 175.55 174.68 1iqz s THR 4 N -1.62 0.14 -0.01 -0.71 -1.32 -1.26 -1.64 115.64 109.22 1iqz s THR 4 Ca 0.06 -1.15 -0.29 0.00 -1.21 0.00 0.00 61.69 59.10 1iqz s THR 4 Cb -0.08 -1.20 0.08 0.00 -1.51 0.00 0.00 72.50 69.80 1iqz s THR 4 CO 0.04 -0.64 0.74 -0.51 -2.21 0.00 0.00 174.62 172.04 1iqz s ILE 5 N -3.40 0.00 -0.17 5.08 2.07 -1.01 -4.03 121.20 119.73 1iqz s ILE 5 Ca 0.02 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.18 1iqz s ILE 5 Cb 0.03 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.58 1iqz s ILE 5 CO -0.08 0.00 0.07 -0.69 -1.91 0.00 0.00 174.94 172.33 1iqz s VAL 6 N -2.06 4.87 -0.79 4.00 1.01 -1.26 -1.00 120.40 125.17 1iqz s VAL 6 Ca -0.04 -0.01 -0.26 0.00 0.00 0.00 0.00 61.98 61.67 1iqz s VAL 6 Cb -0.00 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.22 1iqz s VAL 6 CO 0.00 0.48 1.41 -0.62 0.00 0.00 0.00 175.10 176.37 1iqz s ASP 7 N 0.21 6.09 0.55 3.32 3.68 0.29 -4.86 116.67 125.95 1iqz s ASP 7 Ca 0.05 -0.59 0.36 0.00 2.13 0.00 0.00 52.55 54.50 1iqz s ASP 7 Cb -0.12 -2.56 1.71 0.00 -1.45 0.00 0.00 42.92 40.50 1iqz s ASP 7 CO 0.00 -1.87 2.08 0.11 0.13 0.00 0.00 175.17 175.63 1iqz h LYS 8 N 10.61 0.00 0.00 4.34 1.57 -1.87 -2.50 116.57 128.71 1iqz h LYS 8 Ca -0.16 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 1iqz h LYS 8 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1iqz h LYS 8 CO 1.30 0.00 -0.28 0.93 -0.57 0.00 0.00 179.45 180.83 1iqz h GLU 9 N 0.00 0.00 0.00 3.15 4.39 -1.98 -3.30 114.58 116.84 1iqz h GLU 9 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1iqz h GLU 9 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1iqz h GLU 9 CO 0.00 0.28 -0.92 0.25 -1.16 0.00 0.00 179.01 177.46 1iqz n THR 10 N -3.47 0.00 -1.74 1.13 -2.24 -0.97 -5.02 114.28 101.96 1iqz n THR 10 Ca -0.00 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 1iqz n THR 10 Cb 0.45 0.69 -0.01 0.00 -2.10 0.00 0.00 70.33 69.36 1iqz n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iqz n ILE 12 N 1.48 1.44 -3.36 0.00 -5.35 -1.26 -5.00 119.36 107.31 1iqz n ILE 12 Ca 0.06 -1.23 -0.16 0.00 -0.27 0.00 0.00 62.75 61.15 1iqz n ILE 12 Cb 0.37 0.27 0.08 0.00 -1.74 0.00 0.00 39.64 38.62 1iqz n ILE 12 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1iqz n ALA 13 N 0.52 -2.02 1.01 -1.28 0.00 -1.26 -4.92 120.51 112.56 1iqz n ALA 13 Ca 0.18 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.70 1iqz n ALA 13 Cb 0.63 -2.82 0.06 0.00 0.00 0.00 0.00 19.45 17.32 1iqz n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqz n GLY 15 N 1.49 0.40 0.10 0.00 0.00 -1.26 -4.92 105.19 101.00 1iqz n GLY 15 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1iqz n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqz h ALA 16 N 0.00 0.22 -0.14 4.61 0.00 -1.99 -3.32 119.26 118.65 1iqz h ALA 16 Ca 0.00 -1.01 -0.21 0.00 0.00 0.00 0.00 54.91 53.70 1iqz h ALA 16 Cb 0.25 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1iqz h ALA 16 CO 0.00 1.09 -0.74 0.00 0.00 0.00 0.00 179.25 179.60 1iqz h GLY 18 N 0.84 0.00 1.08 0.00 0.00 -1.75 0.26 103.07 103.49 1iqz h GLY 18 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.09 1iqz h GLY 18 CO 0.14 0.00 -0.73 0.00 0.00 0.00 0.00 176.54 175.95 1iqz h ALA 19 N 1.81 0.24 -0.13 3.60 0.00 -1.58 -2.44 119.26 120.76 1iqz h ALA 19 Ca -0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 54.17 1iqz h ALA 19 Cb 0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1iqz h ALA 19 CO 0.02 0.58 -0.55 0.00 0.00 0.00 0.00 179.25 179.31 1iqz h ALA 20 N 0.50 0.81 -1.08 0.00 0.00 -1.06 -3.40 119.26 115.03 1iqz h ALA 20 Ca -0.06 -0.51 -0.40 0.00 0.00 0.00 0.00 54.91 53.94 1iqz h ALA 20 Cb 1.37 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.80 1iqz h ALA 20 CO 0.15 0.69 -0.83 0.00 0.00 0.00 0.00 179.25 179.26 1iqz n ALA 21 N -2.49 0.67 0.30 0.00 0.00 0.05 -4.76 120.51 114.27 1iqz n ALA 21 Ca -0.03 -2.48 0.17 0.00 0.00 0.00 0.00 53.44 51.11 1iqz n ALA 21 Cb 0.59 -1.05 0.95 0.00 0.00 0.00 0.00 19.45 19.94 1iqz n ALA 21 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1iqz h PRO 22 N 3.91 0.00 -0.00 0.00 0.13 -1.63 -0.95 132.00 133.46 1iqz h PRO 22 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1iqz h PRO 22 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1iqz h PRO 22 CO 0.39 0.03 -0.03 -0.25 -0.23 0.00 0.00 178.00 177.92 1iqz n ASP 23 N -3.43 0.52 -0.01 1.44 9.92 -1.26 -4.26 116.55 119.46 1iqz n ASP 23 Ca -0.02 -0.96 -0.02 0.00 -0.53 0.00 0.00 54.79 53.25 1iqz n ASP 23 Cb 0.15 -0.03 -0.01 0.00 -0.64 0.00 0.00 41.12 40.58 1iqz n ASP 23 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1iqz n ILE 24 N -0.70 0.16 -5.14 0.53 5.41 -0.43 -4.70 119.36 114.49 1iqz n ILE 24 Ca 0.19 -0.05 -0.32 0.00 1.00 0.00 0.00 62.75 63.57 1iqz n ILE 24 Cb 0.23 -0.96 -0.15 0.00 -0.71 0.00 0.00 39.64 38.05 1iqz n ILE 24 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1iqz s TYR 25 N -2.05 2.49 0.00 1.39 1.51 -0.80 -0.64 117.35 119.24 1iqz s TYR 25 Ca -0.04 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 1iqz s TYR 25 Cb 0.01 -1.57 0.00 0.00 -0.11 0.00 0.00 41.96 40.29 1iqz s TYR 25 CO 0.06 0.01 0.00 -3.47 -1.11 0.00 0.00 175.55 171.04 1iqz n ASP 26 N 2.49 0.00 -4.03 2.29 2.03 -0.60 -4.32 116.55 114.42 1iqz n ASP 26 Ca -0.17 -0.50 -0.12 0.00 0.52 0.00 0.00 54.79 54.52 1iqz n ASP 26 Cb 0.52 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.80 1iqz n ASP 26 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1iqz s TYR 27 N -1.52 0.51 0.79 -0.67 1.51 -1.26 -1.01 117.35 115.70 1iqz s TYR 27 Ca 0.00 -0.50 -0.13 0.00 -1.01 0.00 0.00 57.07 55.42 1iqz s TYR 27 Cb 0.00 -0.32 0.19 0.00 -0.11 0.00 0.00 41.96 41.72 1iqz s TYR 27 CO 0.00 -0.12 0.96 -0.40 -1.11 0.00 0.00 175.55 174.88 1iqz n ASP 28 N 1.54 -0.41 0.30 2.29 3.85 -0.06 -4.87 116.55 119.19 1iqz n ASP 28 Ca -0.23 -1.27 0.19 0.00 -0.71 0.00 0.00 54.79 52.77 1iqz n ASP 28 Cb 0.55 -0.77 0.92 0.00 -1.35 0.00 0.00 41.12 40.47 1iqz n ASP 28 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1iqz h GLU 29 N 0.00 0.00 -0.34 0.11 4.11 -2.02 -1.00 114.58 115.44 1iqz h GLU 29 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1iqz h GLU 29 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1iqz h GLU 29 CO 0.22 0.02 0.00 -0.25 0.07 0.00 0.00 179.01 179.07 1iqz n ASP 30 N -3.16 2.80 0.00 3.06 8.00 -1.26 -4.95 116.55 121.04 1iqz n ASP 30 Ca -0.01 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1iqz n ASP 30 Cb 0.20 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1iqz n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1iqz n GLY 31 N 1.37 0.75 3.70 0.44 0.00 -0.38 -4.95 105.19 106.13 1iqz n GLY 31 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1iqz n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iqz s ILE 32 N -2.81 4.53 0.66 -0.61 -1.09 -1.26 -4.28 121.20 116.35 1iqz s ILE 32 Ca 0.00 1.82 -0.13 0.00 -2.23 0.00 0.00 60.65 60.11 1iqz s ILE 32 Cb 0.00 -4.17 -0.00 0.00 -1.58 0.00 0.00 42.46 36.71 1iqz s ILE 32 CO 0.00 0.10 1.07 0.00 -1.23 0.00 0.00 174.94 174.88 1iqz s ALA 33 N 1.34 2.63 0.14 9.38 0.00 -1.26 -0.88 121.76 133.11 1iqz s ALA 33 Ca 0.54 0.28 -0.19 0.00 0.00 0.00 0.00 51.96 52.59 1iqz s ALA 33 Cb -0.23 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 19.71 1iqz s ALA 33 CO 0.26 -1.14 0.48 1.52 0.00 0.00 0.00 175.76 176.89 1iqz s TYR 34 N -2.72 -0.33 -0.26 0.00 1.13 -0.18 -4.79 117.35 110.20 1iqz s TYR 34 Ca 0.61 0.06 -0.21 0.00 -1.41 0.00 0.00 57.07 56.13 1iqz s TYR 34 Cb -0.16 0.38 -0.02 0.00 -1.10 0.00 0.00 41.96 41.07 1iqz s TYR 34 CO 0.47 -0.77 0.65 0.08 -2.51 0.00 0.00 175.55 173.46 1iqz s VAL 35 N -3.79 4.97 -0.35 -3.49 1.01 -1.26 -1.55 120.40 115.94 1iqz s VAL 35 Ca 0.02 1.15 0.27 0.00 0.00 0.00 0.00 61.98 63.42 1iqz s VAL 35 Cb 0.01 -3.95 0.34 0.00 0.00 0.00 0.00 36.38 32.77 1iqz s VAL 35 CO -0.12 0.01 1.75 0.71 0.00 0.00 0.00 175.10 177.45 1iqz h THR 36 N 5.42 0.00 -0.18 3.92 1.35 -1.21 -0.89 112.91 121.32 1iqz h THR 36 Ca -0.26 -0.70 0.05 0.00 -0.55 0.00 0.00 66.41 64.95 1iqz h THR 36 Cb 1.12 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 1iqz h THR 36 CO 0.78 0.00 0.13 -0.07 -0.25 0.00 0.00 175.52 176.12 1iqz h LEU 37 N 0.00 0.00 -1.78 3.87 3.38 -1.84 -3.35 115.31 115.59 1iqz h LEU 37 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1iqz h LEU 37 Cb 0.76 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.40 1iqz h LEU 37 CO 0.00 0.00 -0.29 -0.90 0.09 0.00 0.00 178.44 177.34 1iqz n ASP 38 N -4.39 -0.39 -3.84 -0.43 3.85 -1.21 -4.84 116.55 105.30 1iqz n ASP 38 Ca 0.01 -1.67 -0.28 0.00 -0.71 0.00 0.00 54.79 52.14 1iqz n ASP 38 Cb 0.27 0.10 0.04 0.00 -1.35 0.00 0.00 41.12 40.18 1iqz n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1iqz n ASP 39 N 0.05 -4.85 -2.12 -1.12 4.64 -0.82 -2.17 116.55 110.16 1iqz n ASP 39 Ca -0.13 -0.74 -0.18 0.00 -1.38 0.00 0.00 54.79 52.36 1iqz n ASP 39 Cb 0.68 -4.12 -0.00 0.00 -1.04 0.00 0.00 41.12 36.64 1iqz n ASP 39 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1iqz n ASN 40 N -2.89 -5.21 0.00 1.67 5.15 -0.40 -4.90 115.26 108.68 1iqz n ASN 40 Ca 0.01 -0.06 0.10 0.00 -0.60 0.00 0.00 54.58 54.04 1iqz n ASN 40 Cb 0.54 -4.25 -0.08 0.00 -0.53 0.00 0.00 39.78 35.46 1iqz n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1iqz n GLN 41 N -2.85 0.14 -3.38 1.20 1.13 -0.92 -4.76 117.38 107.94 1iqz n GLN 41 Ca -0.19 -0.03 -0.19 0.00 -1.94 0.00 0.00 57.00 54.65 1iqz n GLN 41 Cb 0.65 -1.51 0.06 0.00 0.11 0.00 0.00 30.24 29.55 1iqz n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1iqz n GLY 42 N 1.44 -0.24 0.00 1.08 0.00 -1.26 -0.65 105.19 105.57 1iqz n GLY 42 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1iqz n GLY 42 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1iqz n ILE 43 N -4.50 0.00 -3.59 -0.61 -5.35 -1.26 -0.61 119.36 103.44 1iqz n ILE 43 Ca 0.01 -0.22 -0.36 0.00 -0.27 0.00 0.00 62.75 61.90 1iqz n ILE 43 Cb 0.55 0.72 -0.08 0.00 -1.74 0.00 0.00 39.64 39.09 1iqz n ILE 43 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1iqz s VAL 44 N -1.29 5.33 0.20 7.28 1.01 -1.26 -4.99 120.40 126.68 1iqz s VAL 44 Ca 0.00 0.40 -0.31 0.00 0.00 0.00 0.00 61.98 62.07 1iqz s VAL 44 Cb 0.00 -3.58 -0.10 0.00 0.00 0.00 0.00 36.38 32.70 1iqz s VAL 44 CO 0.00 0.37 1.54 -1.61 0.00 0.00 0.00 175.10 175.41 1iqz s GLU 45 N 0.69 4.21 0.07 2.72 2.02 -1.26 -4.68 118.70 122.48 1iqz s GLU 45 Ca 0.13 2.38 -0.31 0.00 0.02 0.00 0.00 54.97 57.19 1iqz s GLU 45 Cb -0.13 -3.12 -0.08 0.00 0.10 0.00 0.00 34.13 30.90 1iqz s GLU 45 CO 0.03 -0.57 1.49 0.08 0.02 0.00 0.00 175.26 176.31 1iqz s VAL 46 N 0.71 3.26 0.31 2.63 1.01 0.16 -4.94 120.40 123.54 1iqz s VAL 46 Ca 0.67 0.79 -0.28 0.00 0.00 0.00 0.00 61.98 63.16 1iqz s VAL 46 Cb -0.44 -3.51 -0.13 0.00 0.00 0.00 0.00 36.38 32.30 1iqz s VAL 46 CO 0.36 0.02 1.08 -2.65 0.00 0.00 0.00 175.10 173.92 1iqz n PRO 47 N 4.83 1.55 -0.30 2.72 -0.02 -1.26 -4.72 135.00 137.81 1iqz n PRO 47 Ca 0.13 0.55 0.09 0.00 -2.02 0.00 0.00 63.50 62.25 1iqz n PRO 47 Cb 0.42 -1.98 0.25 0.00 -0.02 0.00 0.00 33.50 32.17 1iqz n PRO 47 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1iqz h ASP 48 N 2.12 0.47 0.55 2.55 3.45 -2.00 0.50 116.42 124.06 1iqz h ASP 48 Ca -0.41 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.15 1iqz h ASP 48 Cb 1.33 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 40.14 1iqz h ASP 48 CO 0.61 0.16 0.00 -0.29 -1.57 0.00 0.00 179.24 178.15 1iqz h ILE 49 N 0.56 0.00 -0.02 0.35 6.09 -2.03 -2.51 117.51 119.94 1iqz h ILE 49 Ca 0.49 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.77 1iqz h ILE 49 Cb 0.76 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.99 1iqz h ILE 49 CO -0.41 0.00 -0.19 0.18 -3.07 0.00 0.00 178.15 174.67 1iqz n LEU 50 N -2.44 2.57 -0.29 2.19 4.77 0.16 -4.57 117.00 119.39 1iqz n LEU 50 Ca 0.01 -0.90 -0.06 0.00 -0.03 0.00 0.00 56.01 55.02 1iqz n LEU 50 Cb 0.18 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1iqz n LEU 50 CO 0.19 0.45 1.05 0.40 -1.33 0.00 0.00 177.39 178.14 1iqz h ILE 51 N 3.72 1.26 -0.65 -0.08 1.08 -1.33 -0.70 117.51 120.80 1iqz h ILE 51 Ca 0.00 -0.80 -0.06 0.00 -0.39 0.00 0.00 64.86 63.61 1iqz h ILE 51 Cb 0.88 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 1iqz h ILE 51 CO 0.00 0.33 0.18 0.44 -0.69 0.00 0.00 178.15 178.41 1iqz h ASP 52 N 1.13 0.97 -0.61 1.72 3.45 -1.80 -0.30 116.42 120.98 1iqz h ASP 52 Ca 0.26 -0.22 -0.02 0.00 0.43 0.00 0.00 57.03 57.48 1iqz h ASP 52 Cb 0.20 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.69 1iqz h ASP 52 CO -0.02 0.94 0.32 0.44 -1.57 0.00 0.00 179.24 179.34 1iqz h ASP 53 N 0.96 0.77 -0.47 6.45 3.45 -1.78 -1.20 116.42 124.60 1iqz h ASP 53 Ca 0.21 -0.11 0.07 0.00 0.43 0.00 0.00 57.03 57.63 1iqz h ASP 53 Cb 0.33 -0.20 -0.06 0.00 -0.56 0.00 0.00 39.33 38.84 1iqz h ASP 53 CO -0.00 0.66 0.14 -0.03 -1.57 0.00 0.00 179.24 178.44 1iqz h MET 54 N 0.83 0.29 -0.24 3.56 4.05 -0.66 -1.15 114.93 121.61 1iqz h MET 54 Ca 0.21 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.52 1iqz h MET 54 Cb 0.07 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1iqz h MET 54 CO -0.03 0.19 -0.26 0.52 0.23 0.00 0.00 176.91 177.56 1iqz h MET 55 N 0.30 0.46 -0.16 0.39 2.86 -0.71 0.43 114.93 118.49 1iqz h MET 55 Ca 0.23 -0.17 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1iqz h MET 55 Cb 0.27 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1iqz h MET 55 CO -0.26 0.68 0.01 -0.44 1.06 0.00 0.00 176.91 177.96 1iqz h ASP 56 N 0.40 -0.03 -0.41 1.22 3.45 -0.74 0.10 116.42 120.41 1iqz h ASP 56 Ca 0.06 0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.51 1iqz h ASP 56 Cb 0.67 0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.48 1iqz h ASP 56 CO 0.05 0.01 0.10 0.00 -1.57 0.00 0.00 179.24 177.82 1iqz h ALA 57 N 1.13 0.54 -0.09 3.45 0.00 -0.79 -1.40 119.26 122.09 1iqz h ALA 57 Ca 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1iqz h ALA 57 Cb 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1iqz h ALA 57 CO -0.11 0.22 0.05 0.35 0.00 0.00 0.00 179.25 179.76 1iqz h PHE 58 N 0.52 0.12 -0.02 0.00 3.57 -0.81 -2.03 116.94 118.30 1iqz h PHE 58 Ca 0.13 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 1iqz h PHE 58 Cb 0.32 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1iqz h PHE 58 CO 0.02 0.14 -0.47 0.93 -2.23 0.00 0.00 178.31 176.70 1iqz h GLU 59 N 0.07 0.05 0.00 1.11 5.08 -0.95 -3.19 114.58 116.76 1iqz h GLU 59 Ca 0.03 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1iqz h GLU 59 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1iqz h GLU 59 CO -0.01 0.51 -0.25 0.78 -1.00 0.00 0.00 179.01 179.04 1iqz h GLY 60 N 1.39 0.00 -5.03 -3.84 0.00 -1.04 -3.47 103.07 91.09 1iqz h GLY 60 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1iqz h GLY 60 CO 0.06 0.00 1.07 0.00 0.00 0.00 0.00 176.54 177.67 1iqz h PRO 62 N 8.77 0.25 -0.51 0.00 0.13 -1.92 -2.92 132.00 135.80 1iqz h PRO 62 Ca -0.44 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1iqz h PRO 62 Cb 1.21 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1iqz h PRO 62 CO 0.94 0.43 0.00 0.25 -0.23 0.00 0.00 178.00 179.39 1iqz n THR 63 N -4.23 1.49 -2.75 1.56 -2.24 -1.26 -4.96 114.28 101.89 1iqz n THR 63 Ca -0.01 -1.20 -0.20 0.00 -2.27 0.00 0.00 64.05 60.37 1iqz n THR 63 Cb 0.30 0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.80 1iqz n THR 63 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1iqz n ASP 64 N 0.79 -5.33 0.10 3.42 10.43 -1.10 -4.87 116.55 119.98 1iqz n ASP 64 Ca 0.20 -0.12 -0.02 0.00 2.57 0.00 0.00 54.79 57.43 1iqz n ASP 64 Cb 0.70 -4.40 -0.04 0.00 1.84 0.00 0.00 41.12 39.22 1iqz n ASP 64 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1iqz h SER 65 N -0.62 0.00 -3.43 -2.24 0.02 -1.90 -3.43 113.55 101.96 1iqz h SER 65 Ca -0.46 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 59.95 1iqz h SER 65 Cb 1.33 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.85 1iqz h SER 65 CO 0.53 0.72 0.35 -0.63 -1.14 0.00 0.00 176.83 176.65 1iqz s ILE 66 N -2.85 4.84 0.09 3.27 1.01 -1.26 -0.55 121.20 125.75 1iqz s ILE 66 Ca 0.02 2.02 0.06 0.00 0.00 0.00 0.00 60.65 62.75 1iqz s ILE 66 Cb 0.09 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1iqz s ILE 66 CO 0.78 0.19 -0.07 -0.54 0.00 0.00 0.00 174.94 175.29 1iqz s LYS 67 N 0.86 2.27 0.00 2.79 -0.14 -0.17 -4.94 119.74 120.43 1iqz s LYS 67 Ca 0.50 -0.94 0.03 0.00 -1.36 0.00 0.00 55.97 54.19 1iqz s LYS 67 Cb -0.21 -2.38 -0.01 0.00 -1.68 0.00 0.00 37.83 33.55 1iqz s LYS 67 CO 0.28 0.53 -0.08 0.08 -0.76 0.00 0.00 175.35 175.39 1iqz s VAL 68 N -1.21 0.65 0.23 3.17 1.01 -1.26 -2.39 120.40 120.60 1iqz s VAL 68 Ca 0.22 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 1iqz s VAL 68 Cb -0.11 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.70 1iqz s VAL 68 CO 0.14 0.09 0.52 0.00 0.00 0.00 0.00 175.10 175.85 1iqz s ALA 69 N -0.39 -0.65 -2.75 5.51 0.00 -0.65 -5.00 121.76 117.83 1iqz s ALA 69 Ca 0.01 -0.54 0.25 0.00 0.00 0.00 0.00 51.96 51.68 1iqz s ALA 69 Cb -0.04 0.94 0.49 0.00 0.00 0.00 0.00 23.12 24.50 1iqz s ALA 69 CO -0.00 -0.85 1.43 -0.25 0.00 0.00 0.00 175.76 176.09 1iqz n ASP 70 N -0.37 2.56 -4.17 0.00 9.92 -1.26 -0.80 116.55 122.43 1iqz n ASP 70 Ca -0.06 -1.84 -0.13 0.00 -0.53 0.00 0.00 54.79 52.23 1iqz n ASP 70 Cb 0.62 -0.04 -0.11 0.00 -0.64 0.00 0.00 41.12 40.95 1iqz n ASP 70 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1iqz s GLU 71 N -1.92 0.83 0.73 -1.24 0.41 -1.26 -4.51 118.70 111.73 1iqz s GLU 71 Ca 0.32 -1.18 -0.14 0.00 -0.41 0.00 0.00 54.97 53.56 1iqz s GLU 71 Cb 0.20 -0.44 0.04 0.00 -1.78 0.00 0.00 34.13 32.15 1iqz s GLU 71 CO 0.31 0.05 1.15 -2.14 -0.49 0.00 0.00 175.26 174.15 1iqz s PRO 72 N -2.99 2.27 0.21 0.39 0.02 -1.26 -4.73 135.00 128.90 1iqz s PRO 72 Ca 0.06 1.54 0.22 0.00 0.02 0.00 0.00 61.00 62.85 1iqz s PRO 72 Cb -0.01 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.64 1iqz s PRO 72 CO -0.01 -1.69 1.05 0.74 -0.33 0.00 0.00 177.00 176.76 1iqz h PHE 73 N -0.44 0.00 -6.65 6.54 -1.00 -1.07 -3.49 116.94 110.83 1iqz h PHE 73 Ca -0.46 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 59.78 1iqz h PHE 73 Cb 1.27 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 40.73 1iqz h PHE 73 CO 0.51 0.01 -0.91 -0.25 -1.61 0.00 0.00 178.31 176.07 1iqz n ASP 74 N -2.69 -0.12 0.00 2.17 10.43 -1.15 -1.84 116.55 123.34 1iqz n ASP 74 Ca -0.00 -1.07 0.00 0.00 2.57 0.00 0.00 54.79 56.28 1iqz n ASP 74 Cb 0.56 -2.68 0.00 0.00 1.84 0.00 0.00 41.12 40.84 1iqz n ASP 74 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1iqz n GLY 75 N -2.10 2.06 3.22 0.44 0.00 0.18 -5.01 105.19 103.97 1iqz n GLY 75 Ca -0.30 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 1iqz n GLY 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqz s ASP 76 N -2.37 5.45 0.64 1.61 3.68 -0.77 -4.94 116.67 119.97 1iqz s ASP 76 Ca 0.00 -1.63 0.41 0.00 2.13 0.00 0.00 52.55 53.45 1iqz s ASP 76 Cb 0.00 -1.91 2.17 0.00 -1.45 0.00 0.00 42.92 41.73 1iqz s ASP 76 CO 0.00 -0.51 2.30 1.55 0.13 0.00 0.00 175.17 178.63 1iqz h PRO 77 N 8.27 0.00 -0.51 4.34 0.13 -1.89 -2.26 132.00 140.09 1iqz h PRO 77 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1iqz h PRO 77 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1iqz h PRO 77 CO 0.72 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.59 1iqz n ASN 78 N -3.21 4.98 -0.30 1.44 4.13 -1.26 -4.69 115.26 116.35 1iqz n ASN 78 Ca -0.02 -2.81 0.08 0.00 1.68 0.00 0.00 54.58 53.50 1iqz n ASN 78 Cb 0.11 -0.61 0.24 0.00 -1.54 0.00 0.00 39.78 37.98 1iqz n ASN 78 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1iqz h LYS 79 N 3.41 0.58 -0.60 3.52 3.64 -1.73 -2.33 116.57 123.06 1iqz h LYS 79 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1iqz h LYS 79 Cb 1.69 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1iqz h LYS 79 CO 0.35 0.39 0.00 1.19 -2.27 0.00 0.00 179.45 179.11 1iqz n PHE 80 N -4.89 0.93 1.45 1.91 3.01 -1.26 -5.17 117.46 113.43 1iqz n PHE 80 Ca 0.18 -0.42 0.14 0.00 1.01 0.00 0.00 57.45 58.35 1iqz n PHE 80 Cb 0.46 -0.07 0.48 0.00 -0.01 0.00 0.00 39.48 40.34 1iqz n PHE 80 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16