#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qo6 s GLY 2 N 0.00 0.27 0.24 -7.48 0.00 -1.26 -5.05 107.32 94.03 1qo6 s GLY 2 Ca 0.00 3.29 -0.27 0.00 0.00 0.00 0.00 44.72 47.74 1qo6 s GLY 2 CO 0.00 1.65 0.57 1.42 0.00 0.00 0.00 173.10 176.74 1qo6 n HIS 3 N 1.19 -0.32 -3.97 1.90 8.25 -1.26 -3.43 115.22 117.59 1qo6 n HIS 3 Ca -0.07 0.89 -0.28 0.00 -0.26 0.00 0.00 57.72 58.00 1qo6 n HIS 3 Cb 0.58 -2.00 -0.04 0.00 1.12 0.00 0.00 29.99 29.65 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 -1.67 -0.02 -1.90 0.00 1.01 -1.26 0.27 120.40 116.83 1qo6 s VAL 5 Ca 0.34 0.09 0.31 0.00 0.00 0.00 0.00 61.98 62.71 1qo6 s VAL 5 Cb -0.11 -0.57 0.83 0.00 0.00 0.00 0.00 36.38 36.53 1qo6 s VAL 5 CO 0.27 0.03 2.17 0.35 0.00 0.00 0.00 175.10 177.93 1qo6 n THR 6 N 4.04 0.00 -0.99 3.92 -2.24 -1.19 -4.86 114.28 112.96 1qo6 n THR 6 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1qo6 n THR 6 Cb 0.55 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1qo6 n THR 6 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qo6 n ASP 7 N -1.05 -1.99 -0.00 3.42 -0.08 -1.26 -4.84 116.55 110.74 1qo6 n ASP 7 Ca 0.22 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.57 1qo6 n ASP 7 Cb 0.13 -0.43 -0.09 0.00 2.34 0.00 0.00 41.12 43.08 1qo6 n ASP 7 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1qo6 n SER 8 N -0.02 0.90 0.00 1.67 7.64 -1.26 -4.98 113.62 117.57 1qo6 n SER 8 Ca 0.00 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1qo6 n SER 8 Cb 0.01 1.15 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 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 1.41 1.47 3.62 0.23 0.00 -1.26 -5.10 105.19 105.56 1qo6 n GLY 9 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1qo6 n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qo6 s VAL 10 N -0.97 4.18 -0.81 1.61 1.01 -1.26 -4.97 120.40 119.18 1qo6 s VAL 10 Ca 0.00 1.30 -0.15 0.00 0.00 0.00 0.00 61.98 63.13 1qo6 s VAL 10 Cb 0.00 -4.29 0.20 0.00 0.00 0.00 0.00 36.38 32.29 1qo6 s VAL 10 CO 0.00 -0.61 0.79 -0.69 0.00 0.00 0.00 175.10 174.58 1qo6 s VAL 11 N 4.42 5.46 0.62 2.92 1.01 -1.26 -3.15 120.40 130.42 1qo6 s VAL 11 Ca 0.54 -2.25 -0.08 0.00 0.00 0.00 0.00 61.98 60.18 1qo6 s VAL 11 Cb -0.14 -4.50 0.14 0.00 0.00 0.00 0.00 36.38 31.89 1qo6 s VAL 11 CO 0.25 -1.07 0.84 -1.22 0.00 0.00 0.00 175.10 173.89 1qo6 n TYR 12 N 4.43 -3.76 -4.57 5.22 4.01 0.75 -4.81 117.16 118.43 1qo6 n TYR 12 Ca 0.12 -0.90 -0.22 0.00 -0.16 0.00 0.00 57.90 56.74 1qo6 n TYR 12 Cb 0.47 -0.64 -0.15 0.00 -0.31 0.00 0.00 39.34 38.70 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 -4.14 1.52 -0.64 7.72 0.01 -1.26 0.87 113.70 117.77 1qo6 s SER 13 Ca 0.49 -0.24 -0.06 0.00 1.31 0.00 0.00 55.95 57.46 1qo6 s SER 13 Cb -0.02 -0.23 -0.22 0.00 0.21 0.00 0.00 66.02 65.77 1qo6 s SER 13 CO 0.34 0.14 1.44 0.55 0.41 0.00 0.00 173.24 176.12 1qo6 n VAL 14 N 2.88 0.00 -0.03 3.43 3.14 -1.22 -0.30 118.33 126.24 1qo6 n VAL 14 Ca -0.15 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1qo6 n VAL 14 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 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 3.81 0.52 0.06 7.55 0.00 0.09 -4.98 105.19 112.24 1qo6 n GLY 15 Ca 0.43 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.35 1qo6 n GLY 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qo6 n MET 16 N -0.01 1.83 -1.53 1.61 2.00 0.59 -5.03 117.12 116.57 1qo6 n MET 16 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.71 1qo6 n MET 16 Cb 0.01 -1.27 0.00 0.00 0.00 0.00 0.00 33.22 31.96 1qo6 n MET 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1qo6 n GLN 17 N -2.51 -3.66 -0.69 0.03 6.02 -1.26 -5.01 117.38 110.30 1qo6 n GLN 17 Ca -0.19 2.84 0.00 0.00 -0.01 0.00 0.00 57.00 59.64 1qo6 n GLN 17 Cb 0.82 -3.62 0.00 0.00 1.02 0.00 0.00 30.24 28.46 1qo6 n GLN 17 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.06 173.38 1qo6 n TRP 18 N -2.54 -0.47 -4.05 1.08 2.14 -0.58 -4.98 117.44 108.03 1qo6 n TRP 18 Ca 0.00 0.00 -0.31 0.00 2.07 0.00 0.00 57.50 59.26 1qo6 n TRP 18 Cb 0.43 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.76 1qo6 n TRP 18 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1qo6 s LEU 19 N 0.00 1.91 0.26 5.67 2.01 -1.26 -2.03 118.68 125.24 1qo6 s LEU 19 Ca 0.00 -0.60 0.11 0.00 0.01 0.00 0.00 54.13 53.66 1qo6 s LEU 19 Cb 0.00 -1.28 -0.05 0.00 0.01 0.00 0.00 46.19 44.88 1qo6 s LEU 19 CO 0.00 -0.05 -0.16 -1.59 1.01 0.00 0.00 176.35 175.56 1qo6 s LYS 20 N 1.41 1.81 0.24 1.70 -2.85 0.14 -4.94 119.74 117.25 1qo6 s LYS 20 Ca 0.04 -1.65 -0.01 0.00 -1.00 0.00 0.00 55.97 53.35 1qo6 s LYS 20 Cb -0.13 -1.88 0.01 0.00 -2.06 0.00 0.00 37.83 33.76 1qo6 s LYS 20 CO -0.11 0.35 0.33 -2.37 0.10 0.00 0.00 175.35 173.65 1qo6 n THR 21 N -0.56 0.00 -0.24 3.79 5.66 -1.26 0.14 114.28 121.81 1qo6 n THR 21 Ca -0.06 -1.19 0.00 0.00 -3.05 0.00 0.00 64.05 59.74 1qo6 n THR 21 Cb 0.59 0.74 0.00 0.00 -1.55 0.00 0.00 70.33 70.11 1qo6 n THR 21 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qo6 n GLN 22 N -0.39 1.07 0.00 1.09 1.13 -1.26 -4.96 117.38 114.06 1qo6 n GLN 22 Ca 0.00 -0.91 0.00 0.00 -1.94 0.00 0.00 57.00 54.15 1qo6 n GLN 22 Cb 0.39 -0.88 0.00 0.00 0.11 0.00 0.00 30.24 29.86 1qo6 n GLN 22 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qo6 n GLY 23 N -0.23 1.50 0.01 1.08 0.00 -1.26 -4.86 105.19 101.43 1qo6 n GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qo6 n GLY 23 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qo6 n ASN 24 N 0.00 0.00 -0.54 1.61 5.15 -1.26 -5.15 115.26 115.07 1qo6 n ASN 24 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1qo6 n ASN 24 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1qo6 n ASN 24 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1qo6 n LYS 25 N -0.81 3.47 -3.85 1.20 5.02 -1.26 -5.15 118.16 116.77 1qo6 n LYS 25 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1qo6 n LYS 25 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1qo6 n LYS 25 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1qo6 s GLN 26 N 3.03 1.74 -0.29 1.97 1.11 -1.26 -4.30 119.66 121.66 1qo6 s GLN 26 Ca 0.00 -0.96 -0.21 0.00 0.01 0.00 0.00 55.36 54.20 1qo6 s GLN 26 Cb 0.00 0.60 0.17 0.00 -1.01 0.00 0.00 33.01 32.77 1qo6 s GLN 26 CO 0.00 -0.80 1.22 -1.64 0.01 0.00 0.00 175.29 174.08 1qo6 s MET 27 N -3.87 0.20 -0.14 2.91 -1.94 0.37 -1.72 119.30 115.11 1qo6 s MET 27 Ca 0.11 0.29 -0.25 0.00 -1.71 0.00 0.00 55.69 54.12 1qo6 s MET 27 Cb -0.06 0.07 -0.02 0.00 2.01 0.00 0.00 34.83 36.84 1qo6 s MET 27 CO 0.06 -0.03 0.82 -1.17 -0.01 0.00 0.00 175.02 174.70 1qo6 s LEU 28 N 0.61 4.22 0.06 -0.03 2.96 0.27 0.24 118.68 127.01 1qo6 s LEU 28 Ca -0.01 1.22 0.00 0.00 -0.22 0.00 0.00 54.13 55.12 1qo6 s LEU 28 Cb -0.04 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 1qo6 s LEU 28 CO -0.12 -0.34 0.19 0.00 -1.32 0.00 0.00 176.35 174.76 1qo6 s THR 30 N -1.48 -0.53 -0.60 0.00 2.01 0.68 -1.53 115.64 114.19 1qo6 s THR 30 Ca 0.34 -0.17 -0.26 0.00 0.31 0.00 0.00 61.69 61.91 1qo6 s THR 30 Cb -0.13 -0.84 0.04 0.00 0.01 0.00 0.00 72.50 71.58 1qo6 s THR 30 CO 0.27 -0.21 1.09 0.00 -0.69 0.00 0.00 174.62 175.08 1qo6 n LEU 32 N 8.15 0.00 0.00 0.00 -0.00 -1.10 -0.73 117.00 123.32 1qo6 n LEU 32 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1qo6 n LEU 32 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 1qo6 n LEU 32 CO 0.68 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.68 1qo6 n GLY 33 N 3.93 0.01 0.05 1.47 0.00 -1.26 -4.35 105.19 105.03 1qo6 n GLY 33 Ca 0.00 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1qo6 n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qo6 n ASN 34 N -0.98 0.43 0.00 1.61 3.02 -1.26 -4.75 115.26 113.33 1qo6 n ASN 34 Ca 0.00 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1qo6 n ASN 34 Cb 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 1qo6 n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qo6 n GLY 35 N 1.43 -0.69 2.67 7.41 0.00 -1.26 -5.12 105.19 109.63 1qo6 n GLY 35 Ca 0.09 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.36 -0.02 0.05 1.61 1.01 -1.26 -2.72 120.40 115.71 1qo6 s VAL 36 Ca 0.00 0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.25 1qo6 s VAL 36 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 1qo6 s VAL 36 CO 0.00 0.06 -0.18 -0.55 0.00 0.00 0.00 175.10 174.43 1qo6 s SER 37 N 2.12 3.85 0.05 3.32 0.15 -0.60 -4.91 113.70 117.69 1qo6 s SER 37 Ca 0.04 -0.43 0.04 0.00 0.70 0.00 0.00 55.95 56.30 1qo6 s SER 37 Cb -0.13 -0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 63.53 1qo6 s SER 37 CO -0.05 0.25 -0.11 0.00 1.20 0.00 0.00 173.24 174.53 1qo6 s GLN 39 N -1.62 2.32 0.56 0.00 -0.21 0.73 -4.87 119.66 116.56 1qo6 s GLN 39 Ca -0.06 -1.46 -0.13 0.00 0.02 0.00 0.00 55.36 53.72 1qo6 s GLN 39 Cb -0.10 -2.16 -0.11 0.00 1.00 0.00 0.00 33.01 31.64 1qo6 s GLN 39 CO 0.01 0.28 -0.34 -0.85 -2.12 0.00 0.00 175.29 172.28 1qo6 n GLU 40 N -0.98 0.00 -0.21 2.91 0.28 -1.26 0.97 120.64 122.35 1qo6 n GLU 40 Ca -0.05 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.03 1qo6 n GLU 40 Cb 0.60 -0.76 0.16 0.00 1.43 0.00 0.00 31.44 32.87 1qo6 n GLU 40 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1qo6 n THR 41 N -1.50 -0.26 -3.08 3.84 5.66 -0.70 -3.13 114.28 115.11 1qo6 n THR 41 Ca 0.03 1.36 -0.04 0.00 -3.05 0.00 0.00 64.05 62.35 1qo6 n THR 41 Cb 0.39 -1.97 0.00 0.00 -1.55 0.00 0.00 70.33 67.21 1qo6 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qo6 n ALA 42 N -3.44 -2.46 -1.39 1.79 0.00 -1.26 -4.01 120.51 109.73 1qo6 n ALA 42 Ca 0.13 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1qo6 n ALA 42 Cb 0.44 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 0.95 0.00 -3.03 0.00 0.24 -1.26 -4.91 118.33 110.32 1qo6 n VAL 43 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1qo6 n VAL 43 Cb 0.38 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 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 0.00 0.00 0.00 3.34 5.66 -1.26 -4.70 114.28 117.32 1qo6 n THR 44 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1qo6 n THR 44 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1qo6 n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qo6 n GLN 45 N 0.00 0.33 -2.02 1.09 1.13 -1.26 -5.06 117.38 111.58 1qo6 n GLN 45 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1qo6 n GLN 45 Cb 0.00 -0.86 0.00 0.00 0.11 0.00 0.00 30.24 29.49 1qo6 n GLN 45 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1qo6 n THR 46 N -2.15-10.96 -0.02 5.09 -2.24 -1.21 -4.97 114.28 97.81 1qo6 n THR 46 Ca 0.00 3.00 -0.02 0.00 -2.27 0.00 0.00 64.05 64.76 1qo6 n THR 46 Cb 0.36 -4.67 -0.04 0.00 -2.10 0.00 0.00 70.33 63.88 1qo6 n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qo6 n TYR 47 N 1.66 0.00 0.00 4.78 0.18 -1.26 -4.70 117.16 117.82 1qo6 n TYR 47 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1qo6 n TYR 47 Cb 0.00 -0.23 0.00 0.00 -0.38 0.00 0.00 39.34 38.73 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 2.68 -0.44 3.45 -7.48 0.00 -0.79 -4.44 105.19 98.17 1qo6 n GLY 48 Ca -0.08 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 0.67 0.66 -0.02 0.00 -1.26 -2.77 105.19 102.47 1qo6 n GLY 49 Ca 0.00 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 44.97 1qo6 n GLY 49 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qo6 n ASN 50 N 2.94 1.94 0.00 1.61 5.03 -0.42 -4.66 115.26 121.70 1qo6 n ASN 50 Ca 0.00 -1.86 0.00 0.00 0.87 0.00 0.00 54.58 53.59 1qo6 n ASN 50 Cb 0.00 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1qo6 n SER 51 N 0.52 0.00 0.00 6.41 2.88 -0.19 -4.34 113.62 118.90 1qo6 n SER 51 Ca 0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1qo6 n SER 51 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 1qo6 n SER 51 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1qo6 n ASN 52 N -0.95 0.00 0.00 -3.46 4.05 -1.12 -4.99 115.26 108.80 1qo6 n ASN 52 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1qo6 n ASN 52 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1qo6 n ASN 52 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qo6 n GLY 53 N 0.00 0.42 3.82 8.20 0.00 -1.24 -1.88 105.19 114.51 1qo6 n GLY 53 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1qo6 n GLY 53 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qo6 s GLU 54 N 0.00 4.23 -0.65 1.61 -1.05 -1.26 -4.83 118.70 116.74 1qo6 s GLU 54 Ca 0.00 1.08 -0.11 0.00 -0.15 0.00 0.00 54.97 55.79 1qo6 s GLU 54 Cb 0.00 -2.26 -0.19 0.00 -0.44 0.00 0.00 34.13 31.25 1qo6 s GLU 54 CO 0.00 0.02 1.81 -2.30 0.95 0.00 0.00 175.26 175.74 1qo6 n PRO 55 N -0.52 0.10 -0.96 -4.83 -0.02 -1.26 -4.81 135.00 122.70 1qo6 n PRO 55 Ca 0.06 -0.35 -0.30 0.00 -2.02 0.00 0.00 63.50 60.89 1qo6 n PRO 55 Cb 0.54 -1.78 0.01 0.00 -0.02 0.00 0.00 33.50 32.24 1qo6 n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qo6 n VAL 57 N -1.27 4.94 -4.16 0.00 3.14 0.73 -4.88 118.33 116.82 1qo6 n VAL 57 Ca 0.05 -5.59 -0.24 0.00 -2.96 0.00 0.00 64.34 55.60 1qo6 n VAL 57 Cb 0.38 -2.32 -0.07 0.00 -1.06 0.00 0.00 33.84 30.77 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 -1.88 3.15 0.22 6.55 -0.00 -1.26 -3.93 118.68 121.54 1qo6 s LEU 58 Ca 0.32 -0.91 -0.30 0.00 -0.00 0.00 0.00 54.13 53.24 1qo6 s LEU 58 Cb -0.01 -1.57 -0.09 0.00 -0.00 0.00 0.00 46.19 44.52 1qo6 s LEU 58 CO 0.02 -0.35 1.33 -2.84 -0.00 0.00 0.00 176.35 174.51 1qo6 s PRO 59 N -3.83 4.37 0.40 1.48 0.02 -1.26 -5.00 135.00 131.18 1qo6 s PRO 59 Ca 0.38 2.11 0.08 0.00 0.02 0.00 0.00 61.00 63.59 1qo6 s PRO 59 Cb -0.00 -3.17 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 1qo6 s PRO 59 CO 0.22 -0.27 0.26 -0.59 -0.33 0.00 0.00 177.00 176.29 1qo6 s PHE 60 N -0.03 2.68 -0.21 6.54 -0.12 -0.97 -4.84 117.98 121.02 1qo6 s PHE 60 Ca 0.56 -0.50 -0.03 0.00 -0.05 0.00 0.00 56.93 56.91 1qo6 s PHE 60 Cb -0.38 -2.00 0.00 0.00 -0.63 0.00 0.00 43.02 40.02 1qo6 s PHE 60 CO 0.40 0.08 -0.08 0.99 -0.05 0.00 0.00 175.22 176.56 1qo6 s THR 61 N -2.51 3.05 -0.03 -4.49 2.01 -1.26 -1.51 115.64 110.90 1qo6 s THR 61 Ca 0.44 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1qo6 s THR 61 Cb -0.00 -2.38 0.03 0.00 0.01 0.00 0.00 72.50 70.15 1qo6 s THR 61 CO 0.25 0.43 -0.01 -0.47 -0.69 0.00 0.00 174.62 174.13 1qo6 s TYR 62 N 1.43 0.43 0.00 4.92 5.04 -0.80 -4.77 117.35 123.60 1qo6 s TYR 62 Ca 0.05 -0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.63 1qo6 s TYR 62 Cb -0.14 -0.47 0.00 0.00 0.35 0.00 0.00 41.96 41.69 1qo6 s TYR 62 CO -0.06 -0.14 0.00 -1.71 -1.34 0.00 0.00 175.55 172.30 1qo6 n ASN 63 N 4.10 -2.71 0.00 4.32 2.85 -1.26 -1.95 115.26 120.61 1qo6 n ASN 63 Ca -0.26 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.21 1qo6 n ASN 63 Cb 0.50 -1.85 0.00 0.00 1.24 0.00 0.00 39.78 39.68 1qo6 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qo6 n GLY 64 N -1.28 0.59 0.00 8.20 0.00 -1.26 -5.08 105.19 106.35 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 -1.22 2.44 -4.03 1.61 1.85 -0.82 -5.09 116.66 111.40 1qo6 n ARG 65 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.77 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 1.17 0.16 -0.15 8.89 2.01 -1.26 -1.90 115.64 124.56 1qo6 s THR 66 Ca 0.00 -1.31 -0.04 0.00 0.31 0.00 0.00 61.69 60.65 1qo6 s THR 66 Cb 0.00 -0.83 0.07 0.00 0.01 0.00 0.00 72.50 71.76 1qo6 s THR 66 CO 0.00 -0.72 0.22 -0.36 -0.69 0.00 0.00 174.62 173.07 1qo6 s PHE 67 N -2.57 -0.30 -0.55 4.92 0.40 -0.57 -4.95 117.98 114.36 1qo6 s PHE 67 Ca -0.06 0.53 0.20 0.00 -0.60 0.00 0.00 56.93 57.01 1qo6 s PHE 67 Cb -0.02 -0.24 0.90 0.00 0.51 0.00 0.00 43.02 44.16 1qo6 s PHE 67 CO -0.05 -0.45 1.62 0.66 0.70 0.00 0.00 175.22 177.70 1qo6 n TYR 68 N 5.33 0.61 -2.99 0.36 4.02 -1.26 -2.29 117.16 120.94 1qo6 n TYR 68 Ca -0.05 0.26 0.00 0.00 -0.01 0.00 0.00 57.90 58.09 1qo6 n TYR 68 Cb 0.50 -0.91 0.00 0.00 -0.02 0.00 0.00 39.34 38.90 1qo6 n TYR 68 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1qo6 n SER 69 N -2.07 0.00 -3.10 7.72 2.88 -1.26 -4.46 113.62 113.33 1qo6 n SER 69 Ca 0.02 -0.15 -0.08 0.00 -1.33 0.00 0.00 58.87 57.33 1qo6 n SER 69 Cb 0.18 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.71 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qo6 n THR 71 N -3.60 0.00 -2.86 0.00 5.66 -0.11 -4.84 114.28 108.53 1qo6 n THR 71 Ca 0.04 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.69 1qo6 n THR 71 Cb 0.15 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.92 1qo6 n THR 71 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1qo6 n THR 72 N -0.13 4.62 -0.06 1.09 -2.24 -1.26 -2.33 114.28 113.97 1qo6 n THR 72 Ca 0.00 -5.77 0.03 0.00 -2.27 0.00 0.00 64.05 56.04 1qo6 n THR 72 Cb 0.00 -1.60 0.09 0.00 -2.10 0.00 0.00 70.33 66.71 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 0.10 2.57 -2.72 -0.78 -0.58 -1.26 -4.80 120.64 113.17 1qo6 n GLU 73 Ca 0.37 -1.73 -0.07 0.00 -0.42 0.00 0.00 57.16 55.31 1qo6 n GLU 73 Cb 0.33 -1.16 0.07 0.00 -0.57 0.00 0.00 31.44 30.10 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 0.16 -0.37 3.36 0.62 0.00 -1.26 -5.09 105.19 102.60 1qo6 n GLY 74 Ca 0.07 0.36 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 0.46 1.48 -0.04 1.61 3.03 -1.26 -5.06 118.95 119.16 1qo6 s ARG 75 Ca 0.28 -1.61 0.07 0.00 2.03 0.00 0.00 55.73 56.50 1qo6 s ARG 75 Cb 0.24 0.36 0.11 0.00 -1.03 0.00 0.00 34.95 34.62 1qo6 s ARG 75 CO -0.18 -0.55 1.06 1.04 -1.13 0.00 0.00 175.30 175.54 1qo6 n GLN 76 N -0.39 2.44 0.06 3.89 6.02 -1.26 -4.80 117.38 123.33 1qo6 n GLN 76 Ca 0.02 -1.88 0.00 0.00 -0.01 0.00 0.00 57.00 55.12 1qo6 n GLN 76 Cb 0.64 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.72 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 -0.78 0.63 0.00 1.08 2.03 -1.26 -5.08 116.55 113.17 1qo6 n ASP 77 Ca 0.06 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1qo6 n ASP 77 Cb 0.39 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 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 3.01 1.06 3.48 0.27 0.00 -1.26 -5.14 105.19 106.61 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 -1.06 2.95 0.03 1.61 3.76 -1.26 -5.06 115.29 116.26 1qo6 s HIS 79 Ca 0.00 -0.33 -0.36 0.00 -0.15 0.00 0.00 55.06 54.22 1qo6 s HIS 79 Cb 0.00 -1.88 -0.15 0.00 1.11 0.00 0.00 32.58 31.66 1qo6 s HIS 79 CO 0.00 -0.01 1.52 1.28 -0.85 0.00 0.00 174.74 176.68 1qo6 n LEU 80 N 3.27 2.33 -4.07 0.89 4.32 -1.25 -4.74 117.00 117.76 1qo6 n LEU 80 Ca -0.18 1.09 -0.18 0.00 -0.02 0.00 0.00 56.01 56.73 1qo6 n LEU 80 Cb 0.53 -1.26 -0.13 0.00 -1.62 0.00 0.00 43.42 40.93 1qo6 n LEU 80 CO 0.31 -0.65 -0.43 -1.66 -1.22 0.00 0.00 177.39 173.74 1qo6 s TRP 81 N 1.43 0.89 0.20 -1.77 1.48 -0.98 0.15 118.94 120.34 1qo6 s TRP 81 Ca 0.86 -0.29 0.05 0.00 -1.06 0.00 0.00 56.10 55.66 1qo6 s TRP 81 Cb -0.87 -0.54 -0.05 0.00 -1.16 0.00 0.00 33.47 30.85 1qo6 s TRP 81 CO 0.48 -0.01 -0.07 0.00 -4.06 0.00 0.00 176.95 173.29 1qo6 s SER 83 N -3.27 6.58 0.00 0.00 0.15 -1.26 0.17 113.70 116.07 1qo6 s SER 83 Ca 0.23 1.19 0.03 0.00 0.70 0.00 0.00 55.95 58.09 1qo6 s SER 83 Cb 0.03 -2.34 -0.01 0.00 -1.71 0.00 0.00 66.02 61.99 1qo6 s SER 83 CO 0.06 -0.37 0.25 0.35 1.20 0.00 0.00 173.24 174.73 1qo6 n THR 84 N -1.13 0.00 -3.85 6.45 -2.24 -0.99 0.26 114.28 112.78 1qo6 n THR 84 Ca 0.03 -0.46 -0.25 0.00 -2.27 0.00 0.00 64.05 61.10 1qo6 n THR 84 Cb 0.54 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.61 1qo6 n THR 84 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qo6 s THR 85 N -0.94 0.72 0.39 4.28 2.01 -1.26 -4.33 115.64 116.51 1qo6 s THR 85 Ca 0.02 -0.10 0.30 0.00 0.31 0.00 0.00 61.69 62.22 1qo6 s THR 85 Cb 0.02 -0.80 0.46 0.00 0.01 0.00 0.00 72.50 72.19 1qo6 s THR 85 CO 0.08 0.32 1.33 -0.24 -0.69 0.00 0.00 174.62 175.42 1qo6 n SER 86 N 5.02 0.15 -3.81 3.53 2.88 -1.26 -0.40 113.62 119.72 1qo6 n SER 86 Ca -0.10 1.13 -0.42 0.00 -1.33 0.00 0.00 58.87 58.15 1qo6 n SER 86 Cb 0.50 -0.56 0.01 0.00 -0.75 0.00 0.00 64.21 63.42 1qo6 n SER 86 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1qo6 n ASN 87 N -4.28 6.80 0.26 -3.46 5.15 -1.26 -4.72 115.26 113.75 1qo6 n ASN 87 Ca 0.35 -3.47 0.14 0.00 -0.60 0.00 0.00 54.58 51.00 1qo6 n ASN 87 Cb 1.40 -1.26 0.61 0.00 -0.53 0.00 0.00 39.78 40.00 1qo6 n ASN 87 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1qo6 h TYR 88 N 4.93 0.00 0.00 1.20 5.03 -1.11 0.36 116.97 127.39 1qo6 h TYR 88 Ca 0.38 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.69 1qo6 h TYR 88 Cb 0.48 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.76 1qo6 h TYR 88 CO 1.20 0.09 0.00 0.93 -1.32 0.00 0.00 178.16 179.06 1qo6 h GLU 89 N 0.00 0.00 0.00 1.82 5.08 -1.86 0.30 114.58 119.92 1qo6 h GLU 89 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1qo6 h GLU 89 Cb 0.59 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1qo6 h GLU 89 CO 0.01 0.00 -1.91 0.94 -1.00 0.00 0.00 179.01 177.05 1qo6 n GLN 90 N -2.38 0.35 -0.01 2.33 -0.06 -0.80 -4.75 117.38 112.07 1qo6 n GLN 90 Ca 0.03 0.14 -0.17 0.00 -2.00 0.00 0.00 57.00 55.00 1qo6 n GLN 90 Cb 0.31 -1.12 -0.14 0.00 -4.06 0.00 0.00 30.24 25.23 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 -0.49 0.24 0.00 1.69 3.32 -1.04 -3.47 116.42 116.67 1qo6 h ASP 91 Ca -0.41 -0.97 0.00 0.00 0.02 0.00 0.00 57.03 55.67 1qo6 h ASP 91 Cb 1.39 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1qo6 h ASP 91 CO -0.22 1.21 0.00 0.00 -1.72 0.00 0.00 179.24 178.51 1qo6 n GLN 92 N -4.36 -0.77 -2.73 3.56 1.13 0.10 -4.95 117.38 109.36 1qo6 n GLN 92 Ca -0.12 0.19 -0.43 0.00 -1.94 0.00 0.00 57.00 54.70 1qo6 n GLN 92 Cb 0.66 -3.85 -0.03 0.00 0.11 0.00 0.00 30.24 27.13 1qo6 n GLN 92 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1qo6 s LYS 93 N -0.85 3.48 0.52 -1.09 0.00 -1.26 -4.97 119.74 115.57 1qo6 s LYS 93 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 55.97 56.08 1qo6 s LYS 93 Cb 0.00 -3.99 0.00 0.00 0.00 0.00 0.00 37.83 33.84 1qo6 s LYS 93 CO 0.00 -1.45 0.08 1.52 0.00 0.00 0.00 175.35 175.49 1qo6 s TYR 94 N 4.23 1.77 0.00 1.78 -0.85 -1.26 -2.35 117.35 120.67 1qo6 s TYR 94 Ca 0.38 -0.95 0.00 0.00 -0.52 0.00 0.00 57.07 55.97 1qo6 s TYR 94 Cb -0.10 -1.66 0.00 0.00 0.38 0.00 0.00 41.96 40.58 1qo6 s TYR 94 CO 0.24 0.08 0.00 -1.13 -1.52 0.00 0.00 175.55 173.23 1qo6 n SER 95 N -1.38 1.33 -3.41 -0.18 3.41 0.46 -1.03 113.62 112.83 1qo6 n SER 95 Ca -0.17 -0.90 -0.18 0.00 -0.26 0.00 0.00 58.87 57.36 1qo6 n SER 95 Cb 0.66 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.57 1qo6 n SER 95 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1qo6 n PHE 96 N 0.00 0.52 -3.65 7.33 3.72 -1.17 -1.95 117.46 122.26 1qo6 n PHE 96 Ca 0.00 -1.55 -0.10 0.00 -0.05 0.00 0.00 57.45 55.75 1qo6 n PHE 96 Cb 0.00 -0.14 -0.08 0.00 -0.94 0.00 0.00 39.48 38.32 1qo6 n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qo6 h THR 98 N 4.71 0.00 0.00 0.00 1.35 -1.91 -3.31 112.91 113.75 1qo6 h THR 98 Ca -0.30 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1qo6 h THR 98 Cb 1.20 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1qo6 h THR 98 CO 0.15 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.89 1qo6 n ASP 99 N -2.95 0.00 0.00 5.36 8.00 -1.26 -4.38 116.55 121.32 1qo6 n ASP 99 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1qo6 n ASP 99 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1qo6 n HIS 100 N 0.00 -0.12 0.00 1.24 -0.00 -1.26 -5.07 115.22 110.01 1qo6 n HIS 100 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1qo6 n HIS 100 Cb 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 29.99 29.89 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05