#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qo6 n GLY 2 N 0.00 0.88 3.46 2.72 0.00 -1.26 -4.78 105.19 106.20 1qo6 n GLY 2 Ca 0.00 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 1qo6 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qo6 n HIS 3 N 0.00 -0.88 -4.22 1.61 8.25 -1.26 -3.78 115.22 114.93 1qo6 n HIS 3 Ca 0.00 0.32 -0.26 0.00 -0.26 0.00 0.00 57.72 57.52 1qo6 n HIS 3 Cb 0.00 -1.89 -0.08 0.00 1.12 0.00 0.00 29.99 29.14 1qo6 n HIS 3 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qo6 s VAL 5 N -1.79 0.08 -0.05 0.00 1.01 -1.26 0.26 120.40 118.65 1qo6 s VAL 5 Ca 0.28 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1qo6 s VAL 5 Cb -0.09 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1qo6 s VAL 5 CO 0.19 -0.36 0.92 1.07 0.00 0.00 0.00 175.10 176.91 1qo6 n THR 6 N 0.57 0.82 -0.94 3.92 5.66 -1.26 -4.96 114.28 118.09 1qo6 n THR 6 Ca -0.19 -0.91 0.00 0.00 -3.05 0.00 0.00 64.05 59.90 1qo6 n THR 6 Cb 0.59 0.59 0.00 0.00 -1.55 0.00 0.00 70.33 69.97 1qo6 n THR 6 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1qo6 n ASP 7 N -0.37 -1.86 0.03 1.09 8.00 -1.26 -4.83 116.55 117.35 1qo6 n ASP 7 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.62 1qo6 n ASP 7 Cb 0.21 -0.90 0.01 0.00 -0.02 0.00 0.00 41.12 40.42 1qo6 n ASP 7 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1qo6 n SER 8 N -0.12 0.60 0.00 -2.24 7.64 -1.26 -4.95 113.62 113.29 1qo6 n SER 8 Ca 0.00 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1qo6 n SER 8 Cb 0.06 0.82 0.00 0.00 -1.01 0.00 0.00 64.21 64.08 1qo6 n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qo6 n GLY 9 N 1.35 0.90 3.37 0.23 0.00 -1.26 -5.04 105.19 104.74 1qo6 n GLY 9 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1qo6 n GLY 9 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qo6 n VAL 10 N -0.72 4.44 -1.65 1.61 0.31 -1.26 -4.97 118.33 116.10 1qo6 n VAL 10 Ca 0.00 -5.06 -0.16 0.00 -0.01 0.00 0.00 64.34 59.11 1qo6 n VAL 10 Cb 0.00 -2.51 -0.07 0.00 -0.91 0.00 0.00 33.84 30.35 1qo6 n VAL 10 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1qo6 s VAL 11 N 0.05 3.08 0.04 2.52 1.01 -1.26 -4.40 120.40 121.44 1qo6 s VAL 11 Ca 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1qo6 s VAL 11 Cb -0.05 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 33.02 1qo6 s VAL 11 CO -0.03 -0.16 0.03 -1.22 0.00 0.00 0.00 175.10 173.71 1qo6 n TYR 12 N 18.16 -2.63 -4.10 5.22 4.01 0.73 -4.78 117.16 133.77 1qo6 n TYR 12 Ca 0.45 -0.03 -0.11 0.00 -0.16 0.00 0.00 57.90 58.06 1qo6 n TYR 12 Cb 0.44 -0.03 -0.11 0.00 -0.31 0.00 0.00 39.34 39.33 1qo6 n TYR 12 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1qo6 s SER 13 N -1.76 0.87 -0.78 7.72 0.01 -1.26 -1.79 113.70 116.71 1qo6 s SER 13 Ca 0.02 -0.77 -0.13 0.00 1.31 0.00 0.00 55.95 56.38 1qo6 s SER 13 Cb -0.00 0.08 -0.22 0.00 0.21 0.00 0.00 66.02 66.09 1qo6 s SER 13 CO 0.01 -0.35 2.00 0.55 0.41 0.00 0.00 173.24 175.87 1qo6 n VAL 14 N 0.76 0.00 0.00 3.43 3.14 -1.25 0.20 118.33 124.61 1qo6 n VAL 14 Ca -0.18 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 60.75 1qo6 n VAL 14 Cb 0.58 -0.68 0.00 0.00 -1.06 0.00 0.00 33.84 32.68 1qo6 n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1qo6 n GLY 15 N 5.70 1.34 2.80 7.55 0.00 -0.18 -4.97 105.19 117.44 1qo6 n GLY 15 Ca 0.48 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.12 1qo6 n GLY 15 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1qo6 n MET 16 N -0.55 3.12 -0.95 1.61 0.00 0.54 -4.94 117.12 115.94 1qo6 n MET 16 Ca 0.00 -3.49 -0.38 0.00 -0.00 0.00 0.00 57.70 53.83 1qo6 n MET 16 Cb 0.00 -2.29 0.05 0.00 0.00 0.00 0.00 33.22 30.98 1qo6 n MET 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1qo6 n GLN 17 N -0.18 -0.23 -0.61 2.12 -0.00 -1.26 -4.57 117.38 112.65 1qo6 n GLN 17 Ca 0.52 -0.07 0.00 0.00 -0.00 0.00 0.00 57.00 57.46 1qo6 n GLN 17 Cb 0.29 -1.10 0.00 0.00 -0.00 0.00 0.00 30.24 29.43 1qo6 n GLN 17 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.06 174.39 1qo6 n TRP 18 N -3.64 -0.54 -3.71 2.61 2.14 0.37 -4.96 117.44 109.71 1qo6 n TRP 18 Ca -0.02 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.40 1qo6 n TRP 18 Cb 0.74 0.00 -0.15 0.00 -0.81 0.00 0.00 31.31 31.09 1qo6 n TRP 18 CO 0.00 0.00 0.00 -1.17 2.07 0.00 0.00 177.69 178.59 1qo6 s LEU 19 N 0.00 0.39 0.40 5.67 2.96 -1.26 -1.44 118.68 125.40 1qo6 s LEU 19 Ca 0.00 0.29 0.08 0.00 -0.22 0.00 0.00 54.13 54.28 1qo6 s LEU 19 Cb 0.00 0.28 -0.05 0.00 0.50 0.00 0.00 46.19 46.92 1qo6 s LEU 19 CO 0.00 -0.19 0.14 -1.59 -1.32 0.00 0.00 176.35 173.39 1qo6 s LYS 20 N 1.67 2.20 0.31 1.98 -2.85 0.29 -4.88 119.74 118.46 1qo6 s LYS 20 Ca -0.04 -1.82 0.09 0.00 -1.00 0.00 0.00 55.97 53.20 1qo6 s LYS 20 Cb -0.12 -1.97 -0.06 0.00 -2.06 0.00 0.00 37.83 33.62 1qo6 s LYS 20 CO -0.06 -0.06 -0.11 0.95 0.10 0.00 0.00 175.35 176.17 1qo6 s THR 21 N -2.58 2.14 -0.32 3.79 -4.23 -1.26 0.69 115.64 113.87 1qo6 s THR 21 Ca 0.40 -2.23 0.15 0.00 -1.18 0.00 0.00 61.69 58.83 1qo6 s THR 21 Cb 0.03 -2.52 0.47 0.00 1.34 0.00 0.00 72.50 71.82 1qo6 s THR 21 CO 0.22 -0.28 1.07 0.00 -0.54 0.00 0.00 174.62 175.09 1qo6 n GLN 22 N -0.70 2.17 0.00 3.99 6.02 -1.25 -4.86 117.38 122.75 1qo6 n GLN 22 Ca -0.05 -3.72 0.00 0.00 -0.01 0.00 0.00 57.00 53.22 1qo6 n GLN 22 Cb 0.63 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 30.17 1qo6 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qo6 n GLY 23 N -0.42 1.32 0.14 1.08 0.00 -1.26 -4.22 105.19 101.83 1qo6 n GLY 23 Ca 0.20 -0.65 0.01 0.00 0.00 0.00 0.00 46.02 45.58 1qo6 n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qo6 n ASN 24 N 3.35 2.01 -2.06 1.61 4.13 -1.26 -5.04 115.26 118.00 1qo6 n ASN 24 Ca 0.00 -1.81 -0.01 0.00 1.68 0.00 0.00 54.58 54.44 1qo6 n ASN 24 Cb 0.00 -0.04 -0.00 0.00 -1.54 0.00 0.00 39.78 38.20 1qo6 n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1qo6 n LYS 25 N -0.17 1.62 -3.63 3.52 4.01 -1.26 -5.15 118.16 117.09 1qo6 n LYS 25 Ca 0.02 -0.08 -0.17 0.00 -0.51 0.00 0.00 58.31 57.58 1qo6 n LYS 25 Cb 0.24 0.01 -0.15 0.00 -0.51 0.00 0.00 35.03 34.63 1qo6 n LYS 25 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1qo6 s GLN 26 N -2.05 0.08 0.13 1.97 -0.21 -1.26 -3.82 119.66 114.50 1qo6 s GLN 26 Ca 0.00 0.49 0.09 0.00 0.02 0.00 0.00 55.36 55.97 1qo6 s GLN 26 Cb -0.00 -0.49 -0.04 0.00 1.00 0.00 0.00 33.01 33.48 1qo6 s GLN 26 CO 0.00 -0.39 -0.19 1.41 -2.12 0.00 0.00 175.29 174.00 1qo6 s MET 27 N 2.31 1.72 -0.16 2.91 -2.45 0.22 0.12 119.30 123.96 1qo6 s MET 27 Ca 0.03 -1.23 0.00 0.00 -1.25 0.00 0.00 55.69 53.25 1qo6 s MET 27 Cb -0.13 -2.07 0.00 0.00 1.25 0.00 0.00 34.83 33.89 1qo6 s MET 27 CO -0.07 0.47 -0.16 -1.17 1.05 0.00 0.00 175.02 175.13 1qo6 s LEU 28 N -2.19 2.40 -0.06 4.11 2.96 -0.99 0.11 118.68 125.01 1qo6 s LEU 28 Ca 0.18 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1qo6 s LEU 28 Cb -0.10 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1qo6 s LEU 28 CO 0.10 0.06 -0.07 0.00 -1.32 0.00 0.00 176.35 175.12 1qo6 s THR 30 N -0.83 0.23 -0.30 0.00 2.01 0.08 0.14 115.64 116.98 1qo6 s THR 30 Ca 0.13 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1qo6 s THR 30 Cb -0.11 -0.40 0.07 0.00 0.01 0.00 0.00 72.50 72.07 1qo6 s THR 30 CO 0.02 -0.49 -0.03 0.00 -0.69 0.00 0.00 174.62 173.44 1qo6 n LEU 32 N 4.46 0.32 0.00 0.00 -0.00 -1.25 -1.01 117.00 119.53 1qo6 n LEU 32 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1qo6 n LEU 32 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1qo6 n LEU 32 CO 0.24 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.24 1qo6 n GLY 33 N 2.82 0.17 0.01 1.47 0.00 -1.26 -4.24 105.19 104.16 1qo6 n GLY 33 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1qo6 n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qo6 n ASN 34 N -1.16 0.65 0.00 1.61 6.94 -1.26 -5.01 115.26 117.03 1qo6 n ASN 34 Ca 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 54.58 53.98 1qo6 n ASN 34 Cb 0.00 1.22 0.00 0.00 -2.36 0.00 0.00 39.78 38.64 1qo6 n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qo6 n GLY 35 N 1.41 2.29 3.71 4.83 0.00 -1.26 -5.13 105.19 111.04 1qo6 n GLY 35 Ca 0.02 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1qo6 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qo6 s VAL 36 N -1.73 3.65 -0.12 1.61 1.01 -1.26 -3.75 120.40 119.81 1qo6 s VAL 36 Ca 0.00 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.19 1qo6 s VAL 36 Cb 0.00 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 1qo6 s VAL 36 CO 0.00 0.09 -0.20 -0.55 0.00 0.00 0.00 175.10 174.45 1qo6 s SER 37 N 1.08 3.44 0.32 3.32 0.15 0.22 -4.90 113.70 117.34 1qo6 s SER 37 Ca 0.62 -0.48 0.03 0.00 0.70 0.00 0.00 55.95 56.82 1qo6 s SER 37 Cb -0.33 -1.49 -0.05 0.00 -1.71 0.00 0.00 66.02 62.44 1qo6 s SER 37 CO 0.30 0.15 0.09 0.00 1.20 0.00 0.00 173.24 174.98 1qo6 s GLN 39 N -3.89 0.35 0.81 0.00 -2.07 -0.07 -4.96 119.66 109.82 1qo6 s GLN 39 Ca 0.34 0.27 -0.12 0.00 -1.82 0.00 0.00 55.36 54.03 1qo6 s GLN 39 Cb 0.07 -0.52 0.08 0.00 -1.09 0.00 0.00 33.01 31.55 1qo6 s GLN 39 CO 0.15 -0.83 1.16 -1.83 -1.32 0.00 0.00 175.29 172.62 1qo6 s GLU 40 N 2.49 1.74 0.00 9.60 -1.05 -1.26 -2.35 118.70 127.87 1qo6 s GLU 40 Ca 0.11 1.57 0.00 0.00 -0.15 0.00 0.00 54.97 56.50 1qo6 s GLU 40 Cb -0.14 -1.81 0.00 0.00 -0.44 0.00 0.00 34.13 31.74 1qo6 s GLU 40 CO -0.23 -2.10 0.00 2.41 0.95 0.00 0.00 175.26 176.30 1qo6 n THR 41 N -3.43 0.00 -0.89 1.83 -1.04 0.32 -4.61 114.28 106.46 1qo6 n THR 41 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1qo6 n THR 41 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1qo6 n THR 41 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qo6 n ALA 42 N 0.00 0.00 -3.99 2.41 0.00 -0.60 -4.22 120.51 114.11 1qo6 n ALA 42 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1qo6 n ALA 42 Cb 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 1qo6 n ALA 42 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qo6 n VAL 43 N -2.04 0.00 -3.20 0.00 0.24 -1.26 -4.23 118.33 107.84 1qo6 n VAL 43 Ca 0.00 -1.87 0.00 0.00 -2.04 0.00 0.00 64.34 60.43 1qo6 n VAL 43 Cb 0.01 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 1qo6 n VAL 43 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1qo6 n THR 44 N -0.51 0.00 -4.01 3.34 5.66 -1.26 -4.99 114.28 112.51 1qo6 n THR 44 Ca 0.05 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.71 1qo6 n THR 44 Cb 0.49 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.21 1qo6 n THR 44 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1qo6 s GLN 45 N -0.41 3.26 0.01 1.09 -0.21 -1.26 -5.06 119.66 117.08 1qo6 s GLN 45 Ca 0.00 -0.35 0.04 0.00 0.02 0.00 0.00 55.36 55.07 1qo6 s GLN 45 Cb 0.00 -3.00 -0.03 0.00 1.00 0.00 0.00 33.01 30.98 1qo6 s GLN 45 CO 0.00 0.69 -0.10 0.95 -2.12 0.00 0.00 175.29 174.71 1qo6 s THR 46 N -1.18 3.38 0.09 -0.19 -4.23 -1.26 -3.02 115.64 109.23 1qo6 s THR 46 Ca 0.22 -0.87 -0.03 0.00 -1.18 0.00 0.00 61.69 59.83 1qo6 s THR 46 Cb -0.12 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.28 1qo6 s THR 46 CO 0.13 0.40 0.18 0.00 -0.54 0.00 0.00 174.62 174.78 1qo6 n TYR 47 N 1.62 -1.22 0.00 3.99 0.18 -1.15 -4.25 117.16 116.32 1qo6 n TYR 47 Ca -0.16 -0.47 0.00 0.00 1.88 0.00 0.00 57.90 59.15 1qo6 n TYR 47 Cb 0.52 0.21 0.00 0.00 -0.38 0.00 0.00 39.34 39.69 1qo6 n TYR 47 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1qo6 n GLY 48 N -0.13 0.73 1.33 -7.48 0.00 -1.24 -1.77 105.19 96.63 1qo6 n GLY 48 Ca -0.02 -0.49 0.16 0.00 0.00 0.00 0.00 46.02 45.68 1qo6 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qo6 n GLY 49 N 0.00 -2.20 0.34 -0.02 0.00 -1.26 0.22 105.19 102.27 1qo6 n GLY 49 Ca 0.00 -0.94 0.22 0.00 0.00 0.00 0.00 46.02 45.30 1qo6 n GLY 49 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1qo6 h ASN 50 N -1.33 0.00 1.02 1.61 -1.07 -1.91 0.82 115.58 114.71 1qo6 h ASN 50 Ca -0.06 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.14 1qo6 h ASN 50 Cb 1.33 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.55 1qo6 h ASN 50 CO 0.04 0.00 -1.04 0.28 0.07 0.00 0.00 177.43 176.77 1qo6 h SER 51 N 0.00 0.00 0.00 6.14 0.02 -1.58 -3.48 113.55 114.66 1qo6 h SER 51 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qo6 h SER 51 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1qo6 h SER 51 CO -0.00 0.68 0.00 -3.20 -1.14 0.00 0.00 176.83 173.17 1qo6 n ASN 52 N -3.11 -2.06 0.00 3.07 5.15 0.58 -2.67 115.26 116.23 1qo6 n ASN 52 Ca -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1qo6 n ASN 52 Cb 0.85 -1.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 1qo6 n ASN 52 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qo6 n GLY 53 N -1.50 0.39 3.05 8.20 0.00 -1.14 -3.63 105.19 110.55 1qo6 n GLY 53 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1qo6 n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qo6 n GLU 54 N 0.00 -0.03 -1.37 1.61 1.02 -1.09 -4.43 120.64 116.35 1qo6 n GLU 54 Ca 0.00 -0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.82 1qo6 n GLU 54 Cb 0.00 -1.09 0.08 0.00 -0.02 0.00 0.00 31.44 30.41 1qo6 n GLU 54 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1qo6 s PRO 55 N -2.18 2.43 0.00 3.49 0.04 -1.26 -4.80 135.00 132.72 1qo6 s PRO 55 Ca 0.42 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1qo6 s PRO 55 Cb -0.18 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1qo6 s PRO 55 CO 0.81 -1.51 0.00 0.00 0.04 0.00 0.00 177.00 176.34 1qo6 n VAL 57 N -1.45 0.08 -3.69 0.00 3.14 0.78 -4.65 118.33 112.54 1qo6 n VAL 57 Ca 0.00 -1.83 -0.22 0.00 -2.96 0.00 0.00 64.34 59.33 1qo6 n VAL 57 Cb 0.00 1.06 -0.01 0.00 -1.06 0.00 0.00 33.84 33.82 1qo6 n VAL 57 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 1qo6 s LEU 58 N -2.84 4.16 0.03 6.55 -0.00 -1.26 -3.74 118.68 121.57 1qo6 s LEU 58 Ca 0.24 0.18 -0.30 0.00 -0.00 0.00 0.00 54.13 54.24 1qo6 s LEU 58 Cb 0.37 -3.01 -0.06 0.00 -0.00 0.00 0.00 46.19 43.48 1qo6 s LEU 58 CO -0.06 -0.21 1.46 -2.16 -0.00 0.00 0.00 176.35 175.38 1qo6 s PRO 59 N -4.13 4.27 0.53 1.48 0.04 -1.26 -5.01 135.00 130.91 1qo6 s PRO 59 Ca 0.38 2.07 0.05 0.00 0.04 0.00 0.00 61.00 63.54 1qo6 s PRO 59 Cb -0.09 -3.54 0.03 0.00 0.04 0.00 0.00 34.50 30.94 1qo6 s PRO 59 CO 0.32 -0.60 0.37 -0.59 0.04 0.00 0.00 177.00 176.54 1qo6 s PHE 60 N 2.30 1.73 -0.08 0.56 -0.12 -0.98 -4.89 117.98 116.50 1qo6 s PHE 60 Ca 0.66 -0.82 0.03 0.00 -0.05 0.00 0.00 56.93 56.75 1qo6 s PHE 60 Cb -0.34 -1.91 0.01 0.00 -0.63 0.00 0.00 43.02 40.14 1qo6 s PHE 60 CO 0.28 -0.40 -0.17 0.99 -0.05 0.00 0.00 175.22 175.88 1qo6 s THR 61 N -2.76 1.48 -0.12 -4.49 2.01 -1.26 -2.21 115.64 108.30 1qo6 s THR 61 Ca 0.34 -0.68 -0.05 0.00 0.31 0.00 0.00 61.69 61.61 1qo6 s THR 61 Cb -0.02 -1.32 0.05 0.00 0.01 0.00 0.00 72.50 71.23 1qo6 s THR 61 CO 0.21 0.43 0.26 -0.47 -0.69 0.00 0.00 174.62 174.36 1qo6 s TYR 62 N 0.58 -0.38 0.00 4.92 5.04 -0.89 -4.79 117.35 121.83 1qo6 s TYR 62 Ca -0.16 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 1qo6 s TYR 62 Cb -0.17 0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.18 1qo6 s TYR 62 CO 0.05 -0.28 0.00 0.09 -1.34 0.00 0.00 175.55 174.07 1qo6 n ASN 63 N 4.57 -0.47 0.00 4.32 3.02 -1.26 -2.33 115.26 123.12 1qo6 n ASN 63 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1qo6 n ASN 63 Cb 0.52 -1.06 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 1qo6 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qo6 n GLY 64 N -1.94 0.91 0.00 7.41 0.00 -1.26 -5.10 105.19 105.22 1qo6 n GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qo6 n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qo6 n ARG 65 N -0.76 2.26 -3.92 1.61 1.85 -0.99 -5.10 116.66 111.62 1qo6 n ARG 65 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 1qo6 n ARG 65 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 1qo6 n ARG 65 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1qo6 s THR 66 N 0.92 0.08 -0.01 8.89 2.01 -1.26 -2.09 115.64 124.19 1qo6 s THR 66 Ca 0.00 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.37 1qo6 s THR 66 Cb 0.00 -0.28 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 1qo6 s THR 66 CO 0.00 -0.36 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.15 1qo6 s PHE 67 N -1.12 0.54 -2.52 4.92 0.40 -0.94 -4.95 117.98 114.31 1qo6 s PHE 67 Ca -0.12 -0.10 0.28 0.00 -0.60 0.00 0.00 56.93 56.38 1qo6 s PHE 67 Cb -0.07 -0.36 1.00 0.00 0.51 0.00 0.00 43.02 44.10 1qo6 s PHE 67 CO 0.00 -0.01 1.72 0.66 0.70 0.00 0.00 175.22 178.28 1qo6 n TYR 68 N 2.97 0.00 -3.34 0.36 4.01 -1.26 -2.32 117.16 117.58 1qo6 n TYR 68 Ca -0.13 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1qo6 n TYR 68 Cb 0.58 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1qo6 n TYR 68 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1qo6 n SER 69 N 0.23 -0.10 -3.87 7.72 7.64 -1.26 -4.75 113.62 119.23 1qo6 n SER 69 Ca 0.19 -1.06 -0.23 0.00 1.01 0.00 0.00 58.87 58.78 1qo6 n SER 69 Cb 0.37 0.17 0.10 0.00 -1.01 0.00 0.00 64.21 63.84 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qo6 s THR 71 N -2.08 0.00 -0.35 0.00 -1.32 0.39 -4.87 115.64 107.41 1qo6 s THR 71 Ca 0.35 -0.46 0.15 0.00 -1.21 0.00 0.00 61.69 60.52 1qo6 s THR 71 Cb -0.03 -2.62 0.42 0.00 -1.51 0.00 0.00 72.50 68.76 1qo6 s THR 71 CO 0.43 0.00 0.88 0.35 -2.21 0.00 0.00 174.62 174.07 1qo6 n THR 72 N -0.67 0.71 -0.32 5.08 -2.24 -1.26 -0.66 114.28 114.91 1qo6 n THR 72 Ca -0.03 -3.72 0.07 0.00 -2.27 0.00 0.00 64.05 58.10 1qo6 n THR 72 Cb 0.60 0.21 0.20 0.00 -2.10 0.00 0.00 70.33 69.25 1qo6 n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qo6 n GLU 73 N 0.03 2.92 -2.68 -0.78 -0.58 -1.26 -4.76 120.64 113.53 1qo6 n GLU 73 Ca 0.16 -2.28 -0.05 0.00 -0.42 0.00 0.00 57.16 54.58 1qo6 n GLU 73 Cb 0.75 -1.41 0.07 0.00 -0.57 0.00 0.00 31.44 30.27 1qo6 n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qo6 n GLY 74 N 0.59 -1.47 3.06 0.62 0.00 -1.26 -5.05 105.19 101.69 1qo6 n GLY 74 Ca 0.15 0.89 -0.09 0.00 0.00 0.00 0.00 46.02 46.97 1qo6 n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qo6 s ARG 75 N 0.28 0.54 -0.48 1.61 1.70 -1.26 -5.06 118.95 116.27 1qo6 s ARG 75 Ca 0.27 -0.95 0.07 0.00 -0.47 0.00 0.00 55.73 54.64 1qo6 s ARG 75 Cb 0.20 0.00 0.39 0.00 -0.57 0.00 0.00 34.95 34.97 1qo6 s ARG 75 CO -0.11 -0.04 1.00 1.04 -1.08 0.00 0.00 175.30 176.11 1qo6 n GLN 76 N 0.83 2.98 0.05 3.89 6.02 -1.26 -4.77 117.38 125.12 1qo6 n GLN 76 Ca -0.19 -4.47 0.00 0.00 -0.01 0.00 0.00 57.00 52.34 1qo6 n GLN 76 Cb 0.58 -2.12 0.00 0.00 1.02 0.00 0.00 30.24 29.72 1qo6 n GLN 76 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1qo6 n ASP 77 N -0.29 -0.96 0.00 1.08 2.03 -1.26 -5.04 116.55 112.10 1qo6 n ASP 77 Ca 0.32 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.96 1qo6 n ASP 77 Cb 0.56 1.13 0.00 0.00 -0.72 0.00 0.00 41.12 42.10 1qo6 n ASP 77 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qo6 n GLY 78 N -1.24 1.05 3.12 0.27 0.00 -1.26 -5.14 105.19 101.99 1qo6 n GLY 78 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1qo6 n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qo6 s HIS 79 N -1.12 2.68 0.98 1.61 3.76 -1.26 -5.11 115.29 116.84 1qo6 s HIS 79 Ca 0.00 -1.52 -0.16 0.00 -0.15 0.00 0.00 55.06 53.23 1qo6 s HIS 79 Cb 0.00 -1.86 -0.07 0.00 1.11 0.00 0.00 32.58 31.76 1qo6 s HIS 79 CO 0.00 -0.74 -0.33 1.28 -0.85 0.00 0.00 174.74 174.10 1qo6 n LEU 80 N 4.48 -3.51 -3.92 0.89 4.32 -1.24 -4.71 117.00 113.31 1qo6 n LEU 80 Ca -0.20 0.22 -0.08 0.00 -0.02 0.00 0.00 56.01 55.93 1qo6 n LEU 80 Cb 0.50 -0.93 -0.03 0.00 -1.62 0.00 0.00 43.42 41.34 1qo6 n LEU 80 CO 0.26 -4.87 0.34 -1.66 -1.22 0.00 0.00 177.39 170.24 1qo6 s TRP 81 N -2.17 0.07 0.20 -1.77 1.48 0.16 -1.23 118.94 115.69 1qo6 s TRP 81 Ca 0.47 -0.48 -0.03 0.00 -1.06 0.00 0.00 56.10 54.99 1qo6 s TRP 81 Cb -0.18 0.48 0.01 0.00 -1.16 0.00 0.00 33.47 32.62 1qo6 s TRP 81 CO 0.76 -1.13 0.33 0.00 -4.06 0.00 0.00 176.95 172.84 1qo6 s SER 83 N -2.20 4.76 0.10 0.00 0.15 -1.26 -2.18 113.70 113.06 1qo6 s SER 83 Ca 0.14 -0.10 0.25 0.00 0.70 0.00 0.00 55.95 56.95 1qo6 s SER 83 Cb -0.01 -1.64 0.59 0.00 -1.71 0.00 0.00 66.02 63.25 1qo6 s SER 83 CO 0.10 0.22 1.51 0.35 1.20 0.00 0.00 173.24 176.62 1qo6 n THR 84 N 3.19 0.28 -4.07 6.45 -2.24 -0.97 0.27 114.28 117.20 1qo6 n THR 84 Ca -0.18 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.32 1qo6 n THR 84 Cb 0.53 -0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 68.49 1qo6 n THR 84 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1qo6 s THR 85 N -3.10 0.05 0.11 4.28 -1.32 -1.26 -4.54 115.64 109.87 1qo6 s THR 85 Ca 0.09 -1.66 -0.33 0.00 -1.21 0.00 0.00 61.69 58.59 1qo6 s THR 85 Cb 0.15 -2.08 -0.12 0.00 -1.51 0.00 0.00 72.50 68.94 1qo6 s THR 85 CO 0.67 -0.24 1.58 -1.28 -2.21 0.00 0.00 174.62 173.13 1qo6 h SER 86 N 2.61 -1.33 -2.45 8.08 0.87 -1.91 -3.33 113.55 116.09 1qo6 h SER 86 Ca -0.33 0.14 -0.68 0.00 -1.23 0.00 0.00 61.79 59.69 1qo6 h SER 86 Cb 1.23 0.48 -0.17 0.00 -0.44 0.00 0.00 62.40 63.50 1qo6 h SER 86 CO 0.51 -0.54 0.76 0.20 -0.53 0.00 0.00 176.83 177.22 1qo6 s ASN 87 N -4.63 6.51 0.07 6.23 -0.87 -1.26 -4.65 114.94 116.34 1qo6 s ASN 87 Ca -0.17 -1.79 0.09 0.00 -1.57 0.00 0.00 52.86 49.42 1qo6 s ASN 87 Cb 0.06 -2.40 -0.20 0.00 -0.02 0.00 0.00 41.25 38.69 1qo6 s ASN 87 CO 0.62 -1.15 1.09 0.22 -2.57 0.00 0.00 177.10 175.31 1qo6 h TYR 88 N 9.02 0.00 -0.18 2.20 3.20 -1.87 -2.89 116.97 126.45 1qo6 h TYR 88 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1qo6 h TYR 88 Cb 1.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.31 1qo6 h TYR 88 CO 1.11 0.97 0.00 0.39 -1.64 0.00 0.00 178.16 179.00 1qo6 n GLU 89 N -3.24 1.54 0.00 1.82 1.02 -1.26 -2.13 120.64 118.38 1qo6 n GLU 89 Ca -0.05 -0.71 0.00 0.00 -0.02 0.00 0.00 57.16 56.38 1qo6 n GLU 89 Cb 0.97 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 1qo6 n GLU 89 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1qo6 n GLN 90 N 0.07 0.00 0.02 3.49 -0.06 -1.23 -4.85 117.38 114.82 1qo6 n GLN 90 Ca 0.06 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.87 1qo6 n GLN 90 Cb 0.22 -0.68 -0.14 0.00 -4.06 0.00 0.00 30.24 25.58 1qo6 n GLN 90 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 1qo6 h ASP 91 N 0.00 0.40 -2.65 1.69 5.19 -1.63 -3.49 116.42 115.93 1qo6 h ASP 91 Ca 0.00 -0.82 -0.11 0.00 -0.62 0.00 0.00 57.03 55.48 1qo6 h ASP 91 Cb 0.81 -0.13 0.04 0.00 0.18 0.00 0.00 39.33 40.24 1qo6 h ASP 91 CO 0.00 1.73 -0.20 1.67 -3.12 0.00 0.00 179.24 179.32 1qo6 n GLN 92 N -3.45 -2.11 -3.53 3.56 -0.06 -0.91 -5.01 117.38 105.89 1qo6 n GLN 92 Ca -0.28 0.24 -0.31 0.00 -2.00 0.00 0.00 57.00 54.65 1qo6 n GLN 92 Cb 1.05 -3.46 -0.08 0.00 -4.06 0.00 0.00 30.24 23.70 1qo6 n GLN 92 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 1qo6 n LYS 93 N -1.83 2.61 -2.64 3.69 0.00 -1.26 -4.99 118.16 113.75 1qo6 n LYS 93 Ca -0.03 -4.59 -0.24 0.00 -0.00 0.00 0.00 58.31 53.45 1qo6 n LYS 93 Cb 0.53 -2.32 0.12 0.00 -0.00 0.00 0.00 35.03 33.36 1qo6 n LYS 93 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 1qo6 s TYR 94 N -2.10 1.20 0.25 5.58 1.13 -1.26 -2.29 117.35 119.85 1qo6 s TYR 94 Ca 0.33 -0.42 -0.08 0.00 -1.41 0.00 0.00 57.07 55.49 1qo6 s TYR 94 Cb 0.06 -2.95 -0.01 0.00 -1.10 0.00 0.00 41.96 37.95 1qo6 s TYR 94 CO -0.05 -1.86 0.38 -1.54 -2.51 0.00 0.00 175.55 169.97 1qo6 s SER 95 N -4.81 0.11 0.58 -0.18 1.04 -0.93 -2.45 113.70 107.05 1qo6 s SER 95 Ca 0.68 -1.13 0.08 0.00 0.48 0.00 0.00 55.95 56.06 1qo6 s SER 95 Cb -0.04 0.54 0.07 0.00 0.10 0.00 0.00 66.02 66.70 1qo6 s SER 95 CO 0.45 -1.08 0.64 -0.36 0.98 0.00 0.00 173.24 173.87 1qo6 s PHE 96 N -3.93 1.36 -0.20 5.02 0.08 -0.73 -1.44 117.98 118.15 1qo6 s PHE 96 Ca 0.28 -0.82 -0.12 0.00 0.12 0.00 0.00 56.93 56.39 1qo6 s PHE 96 Cb 0.01 -2.06 0.06 0.00 -0.57 0.00 0.00 43.02 40.47 1qo6 s PHE 96 CO 0.11 -0.92 0.49 0.00 -0.10 0.00 0.00 175.22 174.80 1qo6 h THR 98 N 5.20 1.45 0.00 0.00 1.35 -1.87 -3.28 112.91 115.75 1qo6 h THR 98 Ca -0.33 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 62.91 1qo6 h THR 98 Cb 1.19 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 1qo6 h THR 98 CO 0.25 0.77 0.00 -0.67 -0.25 0.00 0.00 175.52 175.62 1qo6 n ASP 99 N -3.68 0.00 -2.45 5.36 2.03 -1.26 -4.74 116.55 111.80 1qo6 n ASP 99 Ca -0.06 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.20 1qo6 n ASP 99 Cb 0.86 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.29 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1qo6 n HIS 100 N 0.00 -3.62 -0.32 -0.67 8.25 -1.26 -4.97 115.22 112.63 1qo6 n HIS 100 Ca 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 1qo6 n HIS 100 Cb 0.00 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 30.93 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61