#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqb n GLY 4 N -0.47 -0.45 0.25 0.00 0.00 -0.45 -1.33 105.19 102.73 1iqb n GLY 4 Ca -0.03 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 1iqb n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1iqb h SER 5 N 0.00 0.77 1.36 1.61 4.64 -1.92 0.55 113.55 120.56 1iqb h SER 5 Ca 0.00 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1iqb h SER 5 Cb 0.00 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1iqb h SER 5 CO 0.00 0.78 0.00 1.67 -0.87 0.00 0.00 176.83 178.41 1iqb n GLN 6 N -4.47 0.24 -0.08 4.77 7.27 -1.26 -4.26 117.38 119.59 1iqb n GLN 6 Ca 0.02 0.23 0.09 0.00 0.07 0.00 0.00 57.00 57.42 1iqb n GLN 6 Cb 0.20 -1.80 0.13 0.00 2.41 0.00 0.00 30.24 31.18 1iqb n GLN 6 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1iqb n GLY 7 N 1.15 4.73 0.00 1.69 0.00 -0.34 -4.92 105.19 107.49 1iqb n GLY 7 Ca 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1iqb n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqb n GLY 8 N -1.38 1.42 0.69 -0.02 0.00 -0.65 -3.84 105.19 101.40 1iqb n GLY 8 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1iqb n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqb n GLY 9 N 0.00 0.81 3.92 -0.02 0.00 0.18 -4.91 105.19 105.17 1iqb n GLY 9 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1iqb n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iqb s GLY 10 N -1.90 1.56 0.30 -0.02 0.00 -1.26 -4.52 107.32 101.47 1iqb s GLY 10 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 44.72 43.93 1iqb s GLY 10 CO 0.00 -0.44 0.68 -1.59 0.00 0.00 0.00 173.10 171.75 1iqb s THR 11 N -2.85 4.76 0.73 0.90 2.01 -1.26 -1.34 115.64 118.58 1iqb s THR 11 Ca 0.51 0.80 -0.15 0.00 0.31 0.00 0.00 61.69 63.16 1iqb s THR 11 Cb -0.10 -3.61 0.04 0.00 0.01 0.00 0.00 72.50 68.83 1iqb s THR 11 CO 0.44 -0.16 1.19 0.00 -0.69 0.00 0.00 174.62 175.41 1iqb n PRO 13 N -2.73 2.12 -2.29 0.00 -0.02 -1.26 -2.32 135.00 128.50 1iqb n PRO 13 Ca 0.13 0.75 -0.17 0.00 -2.02 0.00 0.00 63.50 62.19 1iqb n PRO 13 Cb 0.50 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 1iqb n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iqb n ALA 14 N 2.11 -0.50 -4.08 3.55 0.00 -1.26 -3.20 120.51 117.13 1iqb n ALA 14 Ca 0.12 0.15 -0.34 0.00 0.00 0.00 0.00 53.44 53.37 1iqb n ALA 14 Cb 0.32 -1.91 -0.05 0.00 0.00 0.00 0.00 19.45 17.81 1iqb n ALA 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1iqb n LEU 15 N -2.48 -1.03 -4.78 0.00 4.32 -0.98 -1.32 117.00 110.73 1iqb n LEU 15 Ca -0.21 -0.87 -0.30 0.00 -0.02 0.00 0.00 56.01 54.61 1iqb n LEU 15 Cb 0.65 -1.71 0.23 0.00 -1.62 0.00 0.00 43.42 40.97 1iqb n LEU 15 CO 0.24 0.14 0.78 0.26 -1.22 0.00 0.00 177.39 177.59 1iqb s TRP 16 N -3.06 0.81 0.20 -1.77 0.23 -1.20 -4.75 118.94 109.40 1iqb s TRP 16 Ca 0.66 0.30 -0.24 0.00 -2.03 0.00 0.00 56.10 54.79 1iqb s TRP 16 Cb -0.38 -3.92 -0.08 0.00 0.03 0.00 0.00 33.47 29.12 1iqb s TRP 16 CO 0.81 -3.37 0.79 0.00 0.96 0.00 0.00 176.95 176.14 1iqb s SER 19 N 1.73 2.79 0.55 0.00 1.04 -0.57 0.17 113.70 119.40 1iqb s SER 19 Ca 0.07 1.19 0.36 0.00 0.48 0.00 0.00 55.95 58.06 1iqb s SER 19 Cb -0.17 -1.85 1.82 0.00 0.10 0.00 0.00 66.02 65.92 1iqb s SER 19 CO 0.11 -3.03 2.10 0.16 0.98 0.00 0.00 173.24 173.56 1iqb h ILE 20 N -1.82 0.00 -0.16 -1.02 3.07 -1.12 -0.89 117.51 115.57 1iqb h ILE 20 Ca -0.54 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 65.70 1iqb h ILE 20 Cb 1.33 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 1iqb h ILE 20 CO 0.58 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 178.47 1iqb n TRP 21 N -2.90 0.21 -2.22 0.16 8.01 -1.26 -4.79 117.44 114.65 1iqb n TRP 21 Ca -0.01 -0.10 -0.02 0.00 -1.31 0.00 0.00 57.50 56.05 1iqb n TRP 21 Cb 0.15 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.45 1iqb n TRP 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1iqb n GLY 22 N 1.04 0.44 3.24 6.99 0.00 -0.34 -4.79 105.19 111.77 1iqb n GLY 22 Ca 0.15 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 1iqb n GLY 22 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1iqb s TRP 23 N -2.40 1.53 0.00 1.61 0.52 -1.26 -1.11 118.94 117.84 1iqb s TRP 23 Ca 0.02 -0.44 -0.13 0.00 0.02 0.00 0.00 56.10 55.56 1iqb s TRP 23 Cb -0.01 -0.84 -0.06 0.00 -1.15 0.00 0.00 33.47 31.41 1iqb s TRP 23 CO 0.02 0.14 0.39 0.00 0.02 0.00 0.00 176.95 177.52 1iqb n GLY 25 N 1.67 0.91 0.05 0.00 0.00 -0.10 -4.97 105.19 102.75 1iqb n GLY 25 Ca -0.13 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1iqb n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iqb n ASP 26 N -1.15 0.26 -4.94 1.61 3.85 -1.26 -0.93 116.55 113.99 1iqb n ASP 26 Ca -0.03 -1.23 -0.23 0.00 -0.71 0.00 0.00 54.79 52.59 1iqb n ASP 26 Cb 0.41 -0.02 0.01 0.00 -1.35 0.00 0.00 41.12 40.17 1iqb n ASP 26 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1iqb s SER 27 N -0.24 4.88 0.24 -1.12 1.04 -1.26 -4.91 113.70 112.33 1iqb s SER 27 Ca 0.00 -1.01 -0.05 0.00 0.48 0.00 0.00 55.95 55.37 1iqb s SER 27 Cb 0.00 0.19 0.44 0.00 0.10 0.00 0.00 66.02 66.75 1iqb s SER 27 CO 0.00 -1.10 1.71 -0.08 0.98 0.00 0.00 173.24 174.75 1iqb h GLU 28 N 0.61 0.35 -0.19 4.02 4.57 -1.98 -0.62 114.58 121.33 1iqb h GLU 28 Ca -0.35 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 57.86 1iqb h GLU 28 Cb 1.29 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 1iqb h GLU 28 CO 0.52 0.23 0.19 -1.35 -1.18 0.00 0.00 179.01 177.41 1iqb h PRO 29 N 0.36 0.00 0.10 0.92 0.11 -1.96 0.12 132.00 131.65 1iqb h PRO 29 Ca 0.40 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 66.15 1iqb h PRO 29 Cb 0.64 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.72 1iqb h PRO 29 CO -0.44 0.00 -2.03 0.66 -0.21 0.00 0.00 178.00 175.97 1iqb n TYR 30 N -3.93 1.05 0.37 0.65 4.02 -0.59 -4.30 117.16 114.43 1iqb n TYR 30 Ca 0.02 0.23 0.07 0.00 -0.01 0.00 0.00 57.90 58.21 1iqb n TYR 30 Cb 0.31 -1.13 -0.09 0.00 -0.02 0.00 0.00 39.34 38.41 1iqb n TYR 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1iqb n GLY 32 N 1.48 0.67 0.29 0.00 0.00 0.40 -1.32 105.19 106.72 1iqb n GLY 32 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1iqb n GLY 32 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1iqb h ARG 33 N 0.00 1.01 -1.03 1.61 2.43 -1.91 -2.94 114.38 113.56 1iqb h ARG 33 Ca 0.00 -0.26 -0.26 0.00 -0.81 0.00 0.00 59.98 58.65 1iqb h ARG 33 Cb 0.00 -0.13 -0.15 0.00 -0.42 0.00 0.00 29.97 29.27 1iqb h ARG 33 CO 0.00 0.93 0.34 0.25 -1.51 0.00 0.00 179.97 179.98 1iqb n THR 34 N -4.30 2.14 -3.31 0.20 -2.24 -1.26 -4.90 114.28 100.60 1iqb n THR 34 Ca 0.04 -1.00 -0.38 0.00 -2.27 0.00 0.00 64.05 60.43 1iqb n THR 34 Cb 0.26 -0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 67.66 1iqb n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iqb n GLU 36 N 1.66 0.61 -3.79 0.00 2.13 0.13 -4.62 120.64 116.75 1iqb n GLU 36 Ca -0.10 0.32 -0.10 0.00 0.66 0.00 0.00 57.16 57.93 1iqb n GLU 36 Cb 0.51 -1.58 -0.07 0.00 0.27 0.00 0.00 31.44 30.57 1iqb n GLU 36 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1iqb s ASN 37 N -7.12 -0.01 -1.21 4.31 2.20 -1.02 -4.90 114.94 107.19 1iqb s ASN 37 Ca -0.34 -0.43 -0.06 0.00 -0.94 0.00 0.00 52.86 51.08 1iqb s ASN 37 Cb 0.11 0.36 -0.02 0.00 -2.00 0.00 0.00 41.25 39.70 1iqb s ASN 37 CO 0.56 -0.69 0.78 0.29 -2.94 0.00 0.00 177.10 175.10 1iqb n LYS 38 N 0.19 -3.55 -3.25 3.55 4.76 -1.26 -1.02 118.16 117.58 1iqb n LYS 38 Ca -0.17 0.64 -0.23 0.00 -2.87 0.00 0.00 58.31 55.68 1iqb n LYS 38 Cb 0.61 -5.07 -0.00 0.00 -1.84 0.00 0.00 35.03 28.73 1iqb n LYS 38 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iqb h TRP 40 N 0.64 1.15 0.00 0.00 6.55 -1.41 -0.53 115.95 122.35 1iqb h TRP 40 Ca -0.48 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.39 1iqb h TRP 40 Cb 1.23 -0.36 0.00 0.00 -0.86 0.00 0.00 29.16 29.17 1iqb h TRP 40 CO 0.48 0.46 0.00 -1.13 -1.05 0.00 0.00 178.44 177.21 1iqb n SER 41 N -4.61 0.00 -1.11 -3.49 3.41 -1.26 -3.29 113.62 103.26 1iqb n SER 41 Ca 0.19 -0.13 0.10 0.00 -0.26 0.00 0.00 58.87 58.76 1iqb n SER 41 Cb 0.34 -0.09 0.26 0.00 -0.26 0.00 0.00 64.21 64.47 1iqb n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iqb n GLY 42 N -0.51 2.47 3.73 5.00 0.00 -0.21 -4.96 105.19 110.72 1iqb n GLY 42 Ca 0.06 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1iqb n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1iqb n GLU 43 N 1.28 2.69 -1.90 1.61 2.13 -1.21 -4.46 120.64 120.78 1iqb n GLU 43 Ca 0.20 0.96 -0.36 0.00 0.66 0.00 0.00 57.16 58.62 1iqb n GLU 43 Cb 0.56 -2.76 0.05 0.00 0.27 0.00 0.00 31.44 29.55 1iqb n GLU 43 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1iqb s ARG 44 N 0.04 2.80 0.29 5.31 0.52 -1.26 -4.91 118.95 121.75 1iqb s ARG 44 Ca 0.68 1.93 0.01 0.00 -0.52 0.00 0.00 55.73 57.82 1iqb s ARG 44 Cb -0.51 -1.90 0.46 0.00 0.52 0.00 0.00 34.95 33.52 1iqb s ARG 44 CO 0.43 -1.37 1.82 0.66 0.02 0.00 0.00 175.30 176.86 1iqb h SER 45 N 0.75 0.64 0.18 0.23 4.64 -1.95 -0.36 113.55 117.69 1iqb h SER 45 Ca -0.51 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1iqb h SER 45 Cb 1.31 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1iqb h SER 45 CO 0.54 0.70 0.00 -0.90 -0.87 0.00 0.00 176.83 176.31 1iqb n ASP 46 N -4.25 0.00 -0.07 4.97 5.68 -1.26 -4.91 116.55 116.71 1iqb n ASP 46 Ca 0.02 -0.56 -0.01 0.00 -0.50 0.00 0.00 54.79 53.74 1iqb n ASP 46 Cb 0.27 -0.10 -0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1iqb n ASP 46 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1iqb n HIS 47 N -1.10 0.00 -2.24 2.11 8.25 -0.15 -4.98 115.22 117.11 1iqb n HIS 47 Ca 0.17 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.30 1iqb n HIS 47 Cb 0.13 -1.29 -0.00 0.00 1.12 0.00 0.00 29.99 29.95 1iqb n HIS 47 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1iqb s ARG 48 N -1.35 3.44 0.26 -0.41 3.52 -1.26 -0.64 118.95 122.50 1iqb s ARG 48 Ca 0.00 1.37 -0.03 0.00 -0.13 0.00 0.00 55.73 56.95 1iqb s ARG 48 Cb 0.00 -2.04 0.01 0.00 -1.56 0.00 0.00 34.95 31.36 1iqb s ARG 48 CO 0.00 -0.73 0.38 0.00 -0.81 0.00 0.00 175.30 174.14 1iqb n GLY 50 N -0.41 0.52 0.26 0.00 0.00 -1.26 -4.55 105.19 99.75 1iqb n GLY 50 Ca -0.01 -1.90 0.15 0.00 0.00 0.00 0.00 46.02 44.27 1iqb n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqb h ALA 51 N 0.00 1.00 0.00 4.61 0.00 -1.96 -0.61 119.26 122.30 1iqb h ALA 51 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1iqb h ALA 51 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1iqb h ALA 51 CO 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 179.25 179.02 1iqb h ALA 52 N 1.95 1.11 -0.46 0.00 0.00 -2.02 -2.09 119.26 117.75 1iqb h ALA 52 Ca -0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1iqb h ALA 52 Cb 0.63 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1iqb h ALA 52 CO 0.01 0.37 0.07 1.33 0.00 0.00 0.00 179.25 181.02 1iqb n VAL 53 N -3.60 2.60 -2.84 0.00 0.24 -1.04 -4.96 118.33 108.73 1iqb n VAL 53 Ca -0.01 -1.86 -0.08 0.00 -2.04 0.00 0.00 64.34 60.35 1iqb n VAL 53 Cb 0.42 -0.30 0.03 0.00 -1.47 0.00 0.00 33.84 32.52 1iqb n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iqb n GLY 54 N -0.33 0.40 3.80 7.63 0.00 -0.79 -4.20 105.19 111.70 1iqb n GLY 54 Ca 0.30 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1iqb n GLY 54 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iqb n ASN 55 N -0.29 -1.51 -4.72 1.61 3.02 -0.26 -4.96 115.26 108.15 1iqb n ASN 55 Ca -0.01 -0.94 -0.35 0.00 -0.03 0.00 0.00 54.58 53.26 1iqb n ASN 55 Cb 0.53 -3.51 0.09 0.00 -0.61 0.00 0.00 39.78 36.28 1iqb n ASN 55 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1iqb s PRO 56 N -6.21 2.24 1.06 3.52 0.02 -1.26 -4.90 135.00 129.47 1iqb s PRO 56 Ca 0.08 1.84 -0.12 0.00 0.02 0.00 0.00 61.00 62.82 1iqb s PRO 56 Cb -0.03 -1.84 0.22 0.00 0.02 0.00 0.00 34.50 32.88 1iqb s PRO 56 CO 0.85 -1.78 1.07 -1.25 -0.33 0.00 0.00 177.00 175.56 1iqb s PRO 57 N -3.76 -0.05 0.27 5.54 0.04 -1.26 -4.67 135.00 131.10 1iqb s PRO 57 Ca 0.76 0.88 0.12 0.00 0.04 0.00 0.00 61.00 62.80 1iqb s PRO 57 Cb -0.31 -1.65 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1iqb s PRO 57 CO 0.44 -3.15 -0.18 0.00 0.04 0.00 0.00 177.00 174.14 1iqb n GLY 59 N -0.58 -2.15 3.71 0.00 0.00 -1.25 -4.40 105.19 100.51 1iqb n GLY 59 Ca -0.06 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 1iqb n GLY 59 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1iqb s GLN 60 N -4.10 4.23 -1.43 1.61 0.74 -1.26 -2.32 119.66 117.13 1iqb s GLN 60 Ca 0.30 2.28 0.00 0.00 0.05 0.00 0.00 55.36 57.99 1iqb s GLN 60 Cb -0.02 -3.34 0.00 0.00 1.10 0.00 0.00 33.01 30.75 1iqb s GLN 60 CO 0.23 -0.62 0.00 -0.25 -0.55 0.00 0.00 175.29 174.10 1iqb n ASP 61 N 4.58 -4.61 -4.49 6.67 9.92 -1.26 -5.00 116.55 122.36 1iqb n ASP 61 Ca 0.14 0.30 -0.28 0.00 -0.53 0.00 0.00 54.79 54.42 1iqb n ASP 61 Cb 0.40 -3.38 -0.11 0.00 -0.64 0.00 0.00 41.12 37.40 1iqb n ASP 61 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1iqb s ARG 62 N -3.36 1.76 0.10 -1.24 0.52 -0.98 -4.34 118.95 111.41 1iqb s ARG 62 Ca 0.00 -1.31 0.02 0.00 -0.52 0.00 0.00 55.73 53.92 1iqb s ARG 62 Cb 0.00 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 1iqb s ARG 62 CO 0.00 0.44 -0.07 0.00 0.02 0.00 0.00 175.30 175.69 1iqb s SER 65 N 1.51 4.67 0.53 0.00 1.04 -0.01 -0.36 113.70 121.09 1iqb s SER 65 Ca 0.29 0.74 0.36 0.00 0.48 0.00 0.00 55.95 57.83 1iqb s SER 65 Cb -0.15 -1.30 1.93 0.00 0.10 0.00 0.00 66.02 66.60 1iqb s SER 65 CO 0.10 -1.78 2.10 -0.37 0.98 0.00 0.00 173.24 174.27 1iqb h VAL 66 N -0.91 0.00 0.00 5.02 -1.51 -0.59 -2.26 116.25 116.00 1iqb h VAL 66 Ca -0.46 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1iqb h VAL 66 Cb 1.32 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1iqb h VAL 66 CO 0.65 0.00 -0.30 1.41 -1.23 0.00 0.00 177.57 178.09 1iqb n HIS 67 N -2.77 0.02 -0.31 5.19 8.25 -1.26 -4.93 115.22 119.41 1iqb n HIS 67 Ca -0.02 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1iqb n HIS 67 Cb 0.07 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 30.82 1iqb n HIS 67 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1iqb n GLY 68 N 1.50 1.53 2.93 -1.41 0.00 -0.85 -5.03 105.19 103.86 1iqb n GLY 68 Ca 0.06 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1iqb n GLY 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1iqb s TRP 69 N -2.04 0.25 0.29 1.61 0.52 -1.26 -1.67 118.94 116.64 1iqb s TRP 69 Ca 0.00 -0.10 -0.27 0.00 0.02 0.00 0.00 56.10 55.75 1iqb s TRP 69 Cb 0.00 -0.16 -0.10 0.00 -1.15 0.00 0.00 33.47 32.06 1iqb s TRP 69 CO 0.00 -0.02 0.95 0.00 0.02 0.00 0.00 176.95 177.90 1iqb s GLY 71 N -1.45 -0.19 0.26 0.00 0.00 -0.84 -4.91 107.32 100.19 1iqb s GLY 71 Ca 0.47 0.17 0.01 0.00 0.00 0.00 0.00 44.72 45.37 1iqb s GLY 71 CO 0.27 5.08 0.44 -0.32 0.00 0.00 0.00 173.10 178.56 1iqb s GLY 72 N -3.72 1.48 0.00 0.20 0.00 -1.26 -0.98 107.32 103.04 1iqb s GLY 72 Ca 0.28 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1iqb s GLY 72 CO -0.02 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 172.76 1iqb n GLY 73 N -1.25 -1.72 0.31 0.20 0.00 -1.26 -4.43 105.19 97.03 1iqb n GLY 73 Ca -0.06 -1.30 0.13 0.00 0.00 0.00 0.00 46.02 44.79 1iqb n GLY 73 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1iqb h ASN 74 N 0.00 0.00 0.39 1.61 4.21 -1.95 0.12 115.58 119.96 1iqb h ASN 74 Ca 0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1iqb h ASN 74 Cb 0.00 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1iqb h ASN 74 CO 0.00 0.00 -0.05 0.44 -1.29 0.00 0.00 177.43 176.53 1iqb h ASP 75 N 0.00 0.00 0.00 5.81 3.45 -1.96 -3.03 116.42 120.70 1iqb h ASP 75 Ca 0.10 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.51 1iqb h ASP 75 Cb 0.41 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 1iqb h ASP 75 CO -0.00 0.05 -1.19 -1.22 -1.57 0.00 0.00 179.24 175.31 1iqb n TYR 76 N -3.34 0.00 0.59 4.55 4.02 -0.35 -4.80 117.16 117.83 1iqb n TYR 76 Ca -0.02 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.96 1iqb n TYR 76 Cb 0.19 -0.13 -0.12 0.00 -0.02 0.00 0.00 39.34 39.26 1iqb n TYR 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1iqb s SER 78 N -3.17 7.08 0.00 0.00 1.04 -1.14 -3.89 113.70 113.61 1iqb s SER 78 Ca 0.03 1.67 0.00 0.00 0.48 0.00 0.00 55.95 58.12 1iqb s SER 78 Cb 0.13 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1iqb s SER 78 CO 0.76 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.39 1iqb n GLY 79 N -0.04 0.00 0.02 7.32 0.00 -1.26 0.11 105.19 111.34 1iqb n GLY 79 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1iqb n GLY 79 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1iqb n SER 80 N -1.35 0.17 0.03 1.61 2.88 -1.26 -2.83 113.62 112.88 1iqb n SER 80 Ca 0.00 0.52 0.11 0.00 -1.33 0.00 0.00 58.87 58.17 1iqb n SER 80 Cb 0.00 -0.56 0.06 0.00 -0.75 0.00 0.00 64.21 62.96 1iqb n SER 80 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1iqb n LYS 81 N -1.66 0.27 -3.94 -1.46 4.76 0.12 -4.86 118.16 111.38 1iqb n LYS 81 Ca 0.07 0.02 -0.35 0.00 -2.87 0.00 0.00 58.31 55.17 1iqb n LYS 81 Cb 0.36 -1.61 -0.09 0.00 -1.84 0.00 0.00 35.03 31.86 1iqb n LYS 81 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iqb n GLN 83 N 3.13 0.68 -3.90 0.00 10.64 0.51 -4.66 117.38 123.79 1iqb n GLN 83 Ca -0.17 0.17 -0.08 0.00 -1.83 0.00 0.00 57.00 55.08 1iqb n GLN 83 Cb 0.53 -1.59 -0.04 0.00 -0.86 0.00 0.00 30.24 28.28 1iqb n GLN 83 CO 0.00 0.00 0.00 1.52 -1.83 0.00 0.00 177.06 176.75 1iqb s TYR 84 N -2.53 0.08 -1.71 2.61 -0.85 -1.03 -4.90 117.35 109.02 1iqb s TYR 84 Ca -0.26 -0.47 -0.16 0.00 -0.52 0.00 0.00 57.07 55.65 1iqb s TYR 84 Cb 0.08 0.41 0.15 0.00 0.38 0.00 0.00 41.96 42.98 1iqb s TYR 84 CO 0.69 -1.07 0.62 0.54 -1.52 0.00 0.00 175.55 174.81 1iqb n ARG 85 N -0.40 -2.30 -2.63 -3.49 1.74 -0.44 -1.36 116.66 107.78 1iqb n ARG 85 Ca -0.04 0.29 -0.39 0.00 -0.77 0.00 0.00 57.85 56.93 1iqb n ARG 85 Cb 0.61 -4.78 -0.05 0.00 -1.02 0.00 0.00 32.46 27.21 1iqb n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iqb n SER 87 N 1.08 0.00 -4.66 0.00 3.41 -1.25 -5.09 113.62 107.11 1iqb n SER 87 Ca -0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1iqb n SER 87 Cb 0.47 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.57 1iqb n SER 87 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1iqb n SER 88 N -1.35 0.33 0.00 4.04 7.64 -1.25 -5.05 113.62 117.97 1iqb n SER 88 Ca 0.00 0.46 0.05 0.00 1.01 0.00 0.00 58.87 60.39 1iqb n SER 88 Cb 0.00 -1.47 0.30 0.00 -1.01 0.00 0.00 64.21 62.04 1iqb n SER 88 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83