#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 3.40 3.53 2.72 0.00 -1.26 -4.91 105.19 108.66 1qo6 n GLY 2 Ca 0.00 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 1.11 0.82 -2.16 1.61 8.25 -1.26 -2.79 115.22 120.80 1qo6 n HIS 3 Ca 0.23 0.16 -0.28 0.00 -0.26 0.00 0.00 57.72 57.57 1qo6 n HIS 3 Cb 0.59 -2.15 0.15 0.00 1.12 0.00 0.00 29.99 29.70 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 -3.61 0.01 -0.00 0.00 -7.23 -1.26 0.12 120.40 108.43 1qo6 s VAL 5 Ca 0.70 -0.06 -0.01 0.00 -1.81 0.00 0.00 61.98 60.81 1qo6 s VAL 5 Cb -0.05 -0.71 -0.00 0.00 0.56 0.00 0.00 36.38 36.18 1qo6 s VAL 5 CO 0.50 -0.03 -0.01 1.07 -0.31 0.00 0.00 175.10 176.31 1qo6 n THR 6 N 2.45 0.13 1.56 5.32 5.66 -1.25 -4.69 114.28 123.46 1qo6 n THR 6 Ca -0.15 0.19 0.12 0.00 -3.05 0.00 0.00 64.05 61.16 1qo6 n THR 6 Cb 0.57 -1.25 0.71 0.00 -1.55 0.00 0.00 70.33 68.80 1qo6 n THR 6 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1qo6 n ASP 7 N -2.63 0.00 0.00 1.09 2.03 -1.26 -4.82 116.55 110.95 1qo6 n ASP 7 Ca -0.00 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.49 1qo6 n ASP 7 Cb 0.02 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1qo6 n ASP 7 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1qo6 n SER 8 N -0.98 -1.19 0.00 1.67 3.41 -1.26 -4.80 113.62 110.47 1qo6 n SER 8 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1qo6 n SER 8 Cb 0.08 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 1qo6 n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qo6 n GLY 9 N -2.40 0.00 3.50 5.00 0.00 -1.26 -4.98 105.19 105.05 1qo6 n GLY 9 Ca 0.00 0.00 -0.42 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 -1.45 4.19 -0.85 1.61 1.01 -1.26 -4.96 120.40 118.68 1qo6 s VAL 10 Ca 0.00 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.16 1qo6 s VAL 10 Cb 0.00 -4.85 -0.05 0.00 0.00 0.00 0.00 36.38 31.48 1qo6 s VAL 10 CO 0.00 -1.67 1.98 -0.69 0.00 0.00 0.00 175.10 174.71 1qo6 s VAL 11 N 4.34 3.40 -0.38 2.92 1.01 -1.26 -3.83 120.40 126.59 1qo6 s VAL 11 Ca 0.33 -0.27 -0.24 0.00 0.00 0.00 0.00 61.98 61.80 1qo6 s VAL 11 Cb -0.08 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.40 1qo6 s VAL 11 CO 0.02 -0.86 0.84 -0.31 0.00 0.00 0.00 175.10 174.79 1qo6 s TYR 12 N 10.33 3.07 0.58 5.22 2.02 0.32 -4.73 117.35 134.16 1qo6 s TYR 12 Ca 0.72 0.57 -0.16 0.00 -0.37 0.00 0.00 57.07 57.83 1qo6 s TYR 12 Cb -0.08 -3.55 -0.04 0.00 -0.40 0.00 0.00 41.96 37.89 1qo6 s TYR 12 CO 0.03 -0.82 1.05 -1.12 -1.57 0.00 0.00 175.55 173.13 1qo6 s SER 13 N 1.92 5.89 -0.86 2.29 0.01 -1.26 0.28 113.70 121.96 1qo6 s SER 13 Ca 0.34 1.82 -0.23 0.00 1.31 0.00 0.00 55.95 59.19 1qo6 s SER 13 Cb -0.12 -2.54 -0.18 0.00 0.21 0.00 0.00 66.02 63.39 1qo6 s SER 13 CO 0.19 -1.10 2.22 0.55 0.41 0.00 0.00 173.24 175.51 1qo6 n VAL 14 N -1.87 0.00 0.00 3.43 3.14 -1.12 -0.49 118.33 121.41 1qo6 n VAL 14 Ca 0.09 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 1qo6 n VAL 14 Cb 0.53 -1.69 0.00 0.00 -1.06 0.00 0.00 33.84 31.62 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 6.35 -0.30 0.27 7.55 0.00 -1.08 -4.95 105.19 113.02 1qo6 n GLY 15 Ca 0.45 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.60 1qo6 n GLY 15 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1qo6 h MET 16 N 0.00 0.00 -4.86 1.61 2.07 -1.09 -3.48 114.93 109.18 1qo6 h MET 16 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1qo6 h MET 16 Cb 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.73 1qo6 h MET 16 CO 0.00 0.11 -0.61 1.04 1.07 0.00 0.00 176.91 178.52 1qo6 n GLN 17 N -3.56 -0.31 -1.36 1.72 6.02 -1.26 -4.98 117.38 113.64 1qo6 n GLN 17 Ca -0.02 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 1qo6 n GLN 17 Cb 0.24 -0.69 0.00 0.00 1.02 0.00 0.00 30.24 30.81 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 1.26 -0.11 -3.70 1.08 2.14 -0.64 -5.02 117.44 112.46 1qo6 n TRP 18 Ca 0.00 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.44 1qo6 n TRP 18 Cb 0.30 0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 30.67 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 0.09 0.00 5.67 2.96 -1.26 -1.83 118.68 124.30 1qo6 s LEU 19 Ca 0.00 0.55 0.02 0.00 -0.22 0.00 0.00 54.13 54.48 1qo6 s LEU 19 Cb 0.00 0.71 0.02 0.00 0.50 0.00 0.00 46.19 47.42 1qo6 s LEU 19 CO 0.00 -0.20 0.13 2.29 -1.32 0.00 0.00 176.35 177.25 1qo6 n LYS 20 N 4.74 1.09 -3.70 1.98 2.85 0.35 -4.86 118.16 120.60 1qo6 n LYS 20 Ca -0.17 -0.68 -0.13 0.00 -1.05 0.00 0.00 58.31 56.27 1qo6 n LYS 20 Cb 0.51 0.01 -0.09 0.00 -0.65 0.00 0.00 35.03 34.81 1qo6 n LYS 20 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1qo6 s THR 21 N -0.11 0.00 -1.01 0.58 2.01 -1.26 -2.08 115.64 113.77 1qo6 s THR 21 Ca 0.10 -0.02 0.18 0.00 0.31 0.00 0.00 61.69 62.26 1qo6 s THR 21 Cb -0.01 -0.69 0.71 0.00 0.01 0.00 0.00 72.50 72.53 1qo6 s THR 21 CO 0.06 -0.01 1.63 0.00 -0.69 0.00 0.00 174.62 175.61 1qo6 n GLN 22 N 2.72 3.79 0.00 4.92 6.02 -1.11 -4.96 117.38 128.76 1qo6 n GLN 22 Ca -0.14 -2.90 0.00 0.00 -0.01 0.00 0.00 57.00 53.96 1qo6 n GLN 22 Cb 0.57 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 29.92 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 1.01 2.00 0.76 1.08 0.00 -1.26 -4.57 105.19 104.22 1qo6 n GLY 23 Ca 0.26 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 2.38 2.79 -4.29 1.61 2.85 -1.26 -4.99 115.26 114.35 1qo6 n ASN 24 Ca 0.00 -1.82 -0.16 0.00 -0.11 0.00 0.00 54.58 52.49 1qo6 n ASN 24 Cb 0.00 -0.16 -0.10 0.00 1.24 0.00 0.00 39.78 40.76 1qo6 n ASN 24 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1qo6 s LYS 25 N -1.16 1.19 -0.22 1.20 3.01 -1.26 -5.14 119.74 117.36 1qo6 s LYS 25 Ca 0.25 -1.53 -0.03 0.00 -1.01 0.00 0.00 55.97 53.65 1qo6 s LYS 25 Cb 0.15 -0.74 -0.00 0.00 -1.01 0.00 0.00 37.83 36.22 1qo6 s LYS 25 CO 0.21 0.06 -0.06 -0.65 0.51 0.00 0.00 175.35 175.42 1qo6 s GLN 26 N -3.75 3.33 -0.02 1.68 -0.21 -1.26 -2.75 119.66 116.69 1qo6 s GLN 26 Ca 0.21 -0.65 0.06 0.00 0.02 0.00 0.00 55.36 54.99 1qo6 s GLN 26 Cb 0.03 -2.96 -0.01 0.00 1.00 0.00 0.00 33.01 31.06 1qo6 s GLN 26 CO 0.04 -0.20 -0.19 1.41 -2.12 0.00 0.00 175.29 174.23 1qo6 s MET 27 N 1.46 1.57 -0.18 2.91 1.75 -0.88 0.16 119.30 126.08 1qo6 s MET 27 Ca 0.06 -0.67 -0.05 0.00 -1.25 0.00 0.00 55.69 53.77 1qo6 s MET 27 Cb -0.14 -1.50 -0.03 0.00 2.84 0.00 0.00 34.83 36.00 1qo6 s MET 27 CO -0.04 0.39 -0.00 -1.17 -0.65 0.00 0.00 175.02 173.55 1qo6 s LEU 28 N -0.40 3.36 0.27 4.11 2.96 -0.96 0.13 118.68 128.14 1qo6 s LEU 28 Ca 0.06 -0.12 0.09 0.00 -0.22 0.00 0.00 54.13 53.95 1qo6 s LEU 28 Cb -0.08 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1qo6 s LEU 28 CO -0.00 0.13 0.03 0.00 -1.32 0.00 0.00 176.35 175.18 1qo6 s THR 30 N -2.30 0.00 -0.42 0.00 2.01 0.42 -1.61 115.64 113.74 1qo6 s THR 30 Ca 0.32 -0.02 -0.09 0.00 0.31 0.00 0.00 61.69 62.20 1qo6 s THR 30 Cb -0.07 -0.98 0.08 0.00 0.01 0.00 0.00 72.50 71.55 1qo6 s THR 30 CO 0.21 -0.01 0.26 0.00 -0.69 0.00 0.00 174.62 174.39 1qo6 h LEU 32 N 8.41 -0.00 0.00 0.00 -0.00 -1.78 -2.87 115.31 119.07 1qo6 h LEU 32 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 1qo6 h LEU 32 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1qo6 h LEU 32 CO 0.76 0.06 0.00 0.61 -0.00 0.00 0.00 178.44 179.87 1qo6 n GLY 33 N 1.97 -1.21 0.16 0.17 0.00 -1.26 -4.85 105.19 100.18 1qo6 n GLY 33 Ca -0.00 0.33 0.13 0.00 0.00 0.00 0.00 46.02 46.47 1qo6 n GLY 33 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1qo6 h ASN 34 N 0.00 0.00 0.00 1.61 -1.07 -1.98 -3.48 115.58 110.65 1qo6 h ASN 34 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1qo6 h ASN 34 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1qo6 h ASN 34 CO 0.00 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 1qo6 n GLY 35 N 1.02 1.61 2.96 9.14 0.00 -1.26 -5.14 105.19 113.52 1qo6 n GLY 35 Ca 0.04 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.08 1.43 0.01 1.61 1.01 -1.26 -2.07 120.40 120.05 1qo6 s VAL 36 Ca 0.00 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1qo6 s VAL 36 Cb 0.00 -1.51 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 1qo6 s VAL 36 CO 0.00 0.21 0.48 -0.55 0.00 0.00 0.00 175.10 175.24 1qo6 s SER 37 N 1.50 6.90 0.22 3.32 0.15 0.55 -4.76 113.70 121.57 1qo6 s SER 37 Ca 0.01 1.07 -0.01 0.00 0.70 0.00 0.00 55.95 57.71 1qo6 s SER 37 Cb -0.15 -2.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.82 1qo6 s SER 37 CO -0.08 0.26 0.19 0.00 1.20 0.00 0.00 173.24 174.81 1qo6 s GLN 39 N -4.04 0.28 0.12 0.00 -1.52 0.20 -4.95 119.66 109.75 1qo6 s GLN 39 Ca 0.37 -0.58 -0.31 0.00 -1.95 0.00 0.00 55.36 52.89 1qo6 s GLN 39 Cb 0.06 -1.38 -0.09 0.00 -0.22 0.00 0.00 33.01 31.38 1qo6 s GLN 39 CO 0.14 -0.98 1.53 -1.83 -0.25 0.00 0.00 175.29 173.90 1qo6 s GLU 40 N 2.02 4.24 0.00 2.91 -1.05 -1.26 -2.27 118.70 123.29 1qo6 s GLU 40 Ca 0.08 2.26 0.00 0.00 -0.15 0.00 0.00 54.97 57.16 1qo6 s GLU 40 Cb -0.16 -3.30 0.00 0.00 -0.44 0.00 0.00 34.13 30.23 1qo6 s GLU 40 CO -0.32 -0.59 0.00 2.41 0.95 0.00 0.00 175.26 177.71 1qo6 n THR 41 N 4.17 0.00 -2.64 1.83 -1.04 0.42 -4.78 114.28 112.23 1qo6 n THR 41 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1qo6 n THR 41 Cb 0.40 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 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 -1.44 -3.14 2.41 0.00 -1.17 -4.78 120.51 112.39 1qo6 n ALA 42 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1qo6 n ALA 42 Cb 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 1qo6 n ALA 42 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qo6 s VAL 43 N -0.44 0.00 0.00 0.00 1.01 -1.26 -4.82 120.40 114.88 1qo6 s VAL 43 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1qo6 s VAL 43 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1qo6 s VAL 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.10 175.51 1qo6 n THR 44 N -0.50 0.00 -3.85 3.92 -1.04 -1.26 -5.10 114.28 106.45 1qo6 n THR 44 Ca -0.02 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.65 1qo6 n THR 44 Cb 0.61 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.04 1qo6 n THR 44 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1qo6 s GLN 45 N -1.61 4.04 0.20 -2.82 -0.21 -1.26 -5.03 119.66 112.97 1qo6 s GLN 45 Ca 0.00 -0.26 0.11 0.00 0.02 0.00 0.00 55.36 55.23 1qo6 s GLN 45 Cb 0.00 -3.32 -0.04 0.00 1.00 0.00 0.00 33.01 30.64 1qo6 s GLN 45 CO 0.00 0.34 -0.22 0.95 -2.12 0.00 0.00 175.29 174.24 1qo6 s THR 46 N 0.23 2.24 -0.04 -0.19 -4.23 -1.26 -1.31 115.64 111.07 1qo6 s THR 46 Ca 0.07 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1qo6 s THR 46 Cb -0.12 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 1qo6 s THR 46 CO -0.01 -0.22 -0.00 0.00 -0.54 0.00 0.00 174.62 173.85 1qo6 n TYR 47 N 0.12 0.00 0.00 3.99 4.11 -1.26 -4.58 117.16 119.54 1qo6 n TYR 47 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.79 1qo6 n TYR 47 Cb 0.57 -0.16 0.00 0.00 -0.00 0.00 0.00 39.34 39.75 1qo6 n TYR 47 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1qo6 n GLY 48 N 2.93 0.39 0.20 -7.48 0.00 -1.26 -0.90 105.19 99.07 1qo6 n GLY 48 Ca -0.06 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.21 1qo6 n GLY 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qo6 h GLY 49 N 0.00 0.10 0.00 -0.02 0.00 -1.79 -3.32 103.07 98.03 1qo6 h GLY 49 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1qo6 h GLY 49 CO 0.00 -0.16 -1.08 0.70 0.00 0.00 0.00 176.54 176.00 1qo6 n ASN 50 N -5.32 4.64 0.00 0.19 4.13 -1.26 -4.97 115.26 112.67 1qo6 n ASN 50 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1qo6 n ASN 50 Cb 0.24 0.99 0.00 0.00 -1.54 0.00 0.00 39.78 39.47 1qo6 n ASN 50 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1qo6 n SER 51 N -1.63 0.00 -0.33 6.41 2.88 -1.24 -5.03 113.62 114.68 1qo6 n SER 51 Ca -0.01 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1qo6 n SER 51 Cb 0.12 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.57 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 0.00 -0.10 0.00 -3.46 5.15 -1.25 -4.87 115.26 110.72 1qo6 n ASN 52 Ca 0.00 -0.35 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 1qo6 n ASN 52 Cb 0.00 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 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 0.00 0.48 3.58 8.20 0.00 -0.07 -4.39 105.19 112.99 1qo6 n GLY 53 Ca -0.03 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 1qo6 n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qo6 s GLU 54 N -1.78 0.01 -0.34 1.61 0.41 -1.26 -4.73 118.70 112.62 1qo6 s GLU 54 Ca 0.00 1.25 -0.28 0.00 -0.41 0.00 0.00 54.97 55.53 1qo6 s GLU 54 Cb 0.00 -1.63 -0.04 0.00 -1.78 0.00 0.00 34.13 30.68 1qo6 s GLU 54 CO 0.00 -3.22 2.04 -1.25 -0.49 0.00 0.00 175.26 172.34 1qo6 s PRO 55 N -4.53 3.01 0.88 0.39 0.04 -1.26 -4.95 135.00 128.57 1qo6 s PRO 55 Ca 0.68 1.56 -0.14 0.00 0.04 0.00 0.00 61.00 63.14 1qo6 s PRO 55 Cb -0.24 -4.33 0.02 0.00 0.04 0.00 0.00 34.50 29.98 1qo6 s PRO 55 CO 0.61 -2.24 -0.31 0.00 0.04 0.00 0.00 177.00 175.10 1qo6 n VAL 57 N -3.77 2.00 -2.76 0.00 3.14 0.70 -4.86 118.33 112.79 1qo6 n VAL 57 Ca 0.01 -4.51 -0.21 0.00 -2.96 0.00 0.00 64.34 56.67 1qo6 n VAL 57 Cb 0.40 -0.76 0.03 0.00 -1.06 0.00 0.00 33.84 32.44 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 -3.39 3.40 0.28 6.55 2.34 -1.26 -4.23 118.68 122.36 1qo6 s LEU 58 Ca 0.43 0.06 -0.29 0.00 0.06 0.00 0.00 54.13 54.38 1qo6 s LEU 58 Cb 0.40 -2.94 -0.10 0.00 -0.56 0.00 0.00 46.19 42.99 1qo6 s LEU 58 CO -0.12 -1.00 1.30 -2.84 -1.06 0.00 0.00 176.35 172.62 1qo6 s PRO 59 N -4.68 4.39 0.37 1.48 0.02 -1.26 -5.07 135.00 130.25 1qo6 s PRO 59 Ca 0.54 2.13 0.08 0.00 0.02 0.00 0.00 61.00 63.77 1qo6 s PRO 59 Cb -0.10 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 1qo6 s PRO 59 CO 0.38 -0.18 0.19 -0.59 -0.33 0.00 0.00 177.00 176.47 1qo6 s PHE 60 N -0.66 2.68 -0.20 6.54 -0.71 -0.99 -4.90 117.98 119.74 1qo6 s PHE 60 Ca 0.52 -0.46 0.01 0.00 -1.04 0.00 0.00 56.93 55.96 1qo6 s PHE 60 Cb -0.38 -1.81 0.03 0.00 -1.21 0.00 0.00 43.02 39.64 1qo6 s PHE 60 CO 0.46 0.22 -0.16 0.99 -1.34 0.00 0.00 175.22 175.39 1qo6 s THR 61 N -2.48 2.23 -0.02 -4.49 2.01 -1.26 -1.44 115.64 110.20 1qo6 s THR 61 Ca 0.40 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 61.36 1qo6 s THR 61 Cb -0.01 -2.04 0.00 0.00 0.01 0.00 0.00 72.50 70.47 1qo6 s THR 61 CO 0.23 0.39 -0.06 -0.47 -0.69 0.00 0.00 174.62 174.03 1qo6 s TYR 62 N 1.27 0.62 -0.20 4.92 5.04 -0.63 -4.75 117.35 123.61 1qo6 s TYR 62 Ca 0.02 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.52 1qo6 s TYR 62 Cb -0.15 -0.46 0.00 0.00 0.35 0.00 0.00 41.96 41.70 1qo6 s TYR 62 CO -0.10 -0.07 0.00 0.09 -1.34 0.00 0.00 175.55 174.13 1qo6 n ASN 63 N 3.29 -5.17 0.00 4.32 3.02 -1.26 -1.33 115.26 118.13 1qo6 n ASN 63 Ca -0.17 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1qo6 n ASN 63 Cb 0.55 -2.84 0.00 0.00 -0.61 0.00 0.00 39.78 36.88 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 -0.18 0.20 0.00 7.41 0.00 -1.26 -5.06 105.19 106.31 1qo6 n GLY 64 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 1.92 -4.32 1.61 0.00 -0.44 -5.09 116.66 108.34 1qo6 n ARG 65 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 1qo6 n ARG 65 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 32.46 32.36 1qo6 n ARG 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1qo6 s THR 66 N 1.14 0.86 -0.18 8.89 2.01 -1.26 -1.61 115.64 125.49 1qo6 s THR 66 Ca 0.00 -2.01 -0.12 0.00 0.31 0.00 0.00 61.69 59.87 1qo6 s THR 66 Cb 0.00 -2.40 0.05 0.00 0.01 0.00 0.00 72.50 70.17 1qo6 s THR 66 CO 0.00 -0.26 0.44 -0.36 -0.69 0.00 0.00 174.62 173.76 1qo6 s PHE 67 N -3.54 -0.59 -0.55 4.92 0.40 -0.52 -4.90 117.98 113.20 1qo6 s PHE 67 Ca 0.30 1.31 0.01 0.00 -0.60 0.00 0.00 56.93 57.95 1qo6 s PHE 67 Cb 0.06 0.25 0.45 0.00 0.51 0.00 0.00 43.02 44.30 1qo6 s PHE 67 CO 0.09 -0.31 1.76 0.66 0.70 0.00 0.00 175.22 178.12 1qo6 n TYR 68 N 3.72 3.08 -1.59 0.36 4.01 -1.26 -2.34 117.16 123.14 1qo6 n TYR 68 Ca -0.19 -2.77 0.00 0.00 -0.16 0.00 0.00 57.90 54.78 1qo6 n TYR 68 Cb 0.56 -1.09 0.00 0.00 -0.31 0.00 0.00 39.34 38.51 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 -0.85 0.00 -4.59 7.72 7.64 -1.26 -4.85 113.62 117.44 1qo6 n SER 69 Ca 0.57 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 60.16 1qo6 n SER 69 Cb 0.76 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 64.16 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 -2.65 0.00 -0.24 0.00 -1.32 -0.15 -4.82 115.64 106.46 1qo6 s THR 71 Ca 0.67 -0.53 0.13 0.00 -1.21 0.00 0.00 61.69 60.74 1qo6 s THR 71 Cb -0.22 -2.14 0.46 0.00 -1.51 0.00 0.00 72.50 69.09 1qo6 s THR 71 CO 0.61 0.00 1.18 0.35 -2.21 0.00 0.00 174.62 174.55 1qo6 n THR 72 N -0.52 1.99 1.51 5.08 -2.24 -1.26 0.16 114.28 119.00 1qo6 n THR 72 Ca -0.06 -3.45 0.03 0.00 -2.27 0.00 0.00 64.05 58.30 1qo6 n THR 72 Cb 0.61 -0.27 0.10 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.68 1.36 0.00 -0.78 -0.58 -1.26 -3.42 120.64 115.29 1qo6 n GLU 73 Ca 0.28 -0.57 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 1qo6 n GLU 73 Cb 0.89 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 30.62 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 0.77 -0.01 3.14 0.62 0.00 -1.26 -5.07 105.19 103.37 1qo6 n GLY 74 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.36 0.86 -0.01 1.61 1.70 -1.22 -5.05 118.95 116.47 1qo6 s ARG 75 Ca 0.00 -1.39 0.08 0.00 -0.47 0.00 0.00 55.73 53.95 1qo6 s ARG 75 Cb 0.00 0.20 0.24 0.00 -0.57 0.00 0.00 34.95 34.82 1qo6 s ARG 75 CO 0.00 -0.21 1.19 1.04 -1.08 0.00 0.00 175.30 176.24 1qo6 n GLN 76 N -0.05 2.87 -0.04 3.89 6.02 -1.26 -4.61 117.38 124.20 1qo6 n GLN 76 Ca -0.08 -1.96 -0.20 0.00 -0.01 0.00 0.00 57.00 54.74 1qo6 n GLN 76 Cb 0.63 -1.24 -0.13 0.00 1.02 0.00 0.00 30.24 30.52 1qo6 n GLN 76 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1qo6 h ASP 77 N 1.41 0.20 0.00 1.08 3.58 -1.96 -3.49 116.42 117.24 1qo6 h ASP 77 Ca 0.00 -0.77 0.00 0.00 0.42 0.00 0.00 57.03 56.68 1qo6 h ASP 77 Cb 0.72 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.70 1qo6 h ASP 77 CO 0.01 1.50 0.00 0.61 -2.88 0.00 0.00 179.24 178.48 1qo6 n GLY 78 N 1.63 1.88 3.46 -0.78 0.00 -1.26 -5.12 105.19 105.00 1qo6 n GLY 78 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.98 3.15 -0.42 1.61 3.76 -1.26 -5.03 115.29 115.11 1qo6 s HIS 79 Ca 0.00 -0.44 -0.28 0.00 -0.15 0.00 0.00 55.06 54.19 1qo6 s HIS 79 Cb 0.00 -2.31 -0.01 0.00 1.11 0.00 0.00 32.58 31.37 1qo6 s HIS 79 CO 0.00 -0.38 1.71 -0.51 -0.85 0.00 0.00 174.74 174.70 1qo6 s LEU 80 N 1.63 3.47 0.00 0.89 1.02 -1.25 -4.32 118.68 120.12 1qo6 s LEU 80 Ca 0.06 0.94 0.02 0.00 0.02 0.00 0.00 54.13 55.17 1qo6 s LEU 80 Cb -0.16 -3.28 -0.03 0.00 0.02 0.00 0.00 46.19 42.73 1qo6 s LEU 80 CO 0.06 -1.80 -0.04 -1.66 0.02 0.00 0.00 176.35 172.94 1qo6 s TRP 81 N 7.01 2.97 0.44 0.29 1.48 0.43 0.26 118.94 131.81 1qo6 s TRP 81 Ca 0.72 0.02 0.00 0.00 -1.06 0.00 0.00 56.10 55.77 1qo6 s TRP 81 Cb -0.18 -1.63 0.00 0.00 -1.16 0.00 0.00 33.47 30.50 1qo6 s TRP 81 CO 0.30 0.41 0.00 0.00 -4.06 0.00 0.00 176.95 173.61 1qo6 s SER 83 N -3.40 6.10 -0.01 0.00 1.04 -1.26 -1.77 113.70 114.41 1qo6 s SER 83 Ca 0.00 0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.86 1qo6 s SER 83 Cb -0.00 -1.91 -0.08 0.00 0.10 0.00 0.00 66.02 64.13 1qo6 s SER 83 CO 0.00 0.38 0.16 0.35 0.98 0.00 0.00 173.24 175.11 1qo6 n THR 84 N 1.84 0.00 -4.45 2.02 -2.24 -0.97 0.25 114.28 110.74 1qo6 n THR 84 Ca -0.18 -0.20 -0.22 0.00 -2.27 0.00 0.00 64.05 61.18 1qo6 n THR 84 Cb 0.54 0.54 -0.16 0.00 -2.10 0.00 0.00 70.33 69.15 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 -2.18 0.89 0.46 4.28 2.01 -1.25 -4.48 115.64 115.37 1qo6 s THR 85 Ca -0.01 -0.39 0.33 0.00 0.31 0.00 0.00 61.69 61.93 1qo6 s THR 85 Cb 0.04 -0.81 0.52 0.00 0.01 0.00 0.00 72.50 72.26 1qo6 s THR 85 CO 0.25 0.29 1.63 0.28 -0.69 0.00 0.00 174.62 176.37 1qo6 h SER 86 N 6.64 0.20 -2.76 3.53 0.02 -1.94 -2.01 113.55 117.23 1qo6 h SER 86 Ca -0.33 0.11 -0.67 0.00 -0.84 0.00 0.00 61.79 60.06 1qo6 h SER 86 Cb 1.17 0.10 -0.38 0.00 0.14 0.00 0.00 62.40 63.44 1qo6 h SER 86 CO 0.48 -0.14 -0.19 0.59 -1.14 0.00 0.00 176.83 176.42 1qo6 n ASN 87 N -4.56 4.29 0.14 3.07 4.13 -1.26 -4.83 115.26 116.24 1qo6 n ASN 87 Ca 0.37 -3.33 0.13 0.00 1.68 0.00 0.00 54.58 53.44 1qo6 n ASN 87 Cb 1.49 -0.90 0.44 0.00 -1.54 0.00 0.00 39.78 39.27 1qo6 n ASN 87 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1qo6 h TYR 88 N 5.06 0.00 0.00 3.10 5.03 -1.67 -1.20 116.97 127.30 1qo6 h TYR 88 Ca 0.18 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.49 1qo6 h TYR 88 Cb 0.70 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.98 1qo6 h TYR 88 CO 0.77 0.00 0.00 0.39 -1.32 0.00 0.00 178.16 178.00 1qo6 n GLU 89 N -2.40 0.04 0.00 1.82 -0.58 -1.26 -1.41 120.64 116.85 1qo6 n GLU 89 Ca 0.04 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1qo6 n GLU 89 Cb 0.36 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 1qo6 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qo6 n GLN 90 N -1.48 1.74 0.05 3.49 -0.00 -1.09 -4.81 117.38 115.28 1qo6 n GLN 90 Ca 0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 56.84 1qo6 n GLN 90 Cb 0.27 -0.90 -0.15 0.00 -0.00 0.00 0.00 30.24 29.46 1qo6 n GLN 90 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1qo6 h ASP 91 N 0.00 0.53 0.00 2.61 3.32 -1.32 -3.48 116.42 118.08 1qo6 h ASP 91 Ca 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 57.03 56.15 1qo6 h ASP 91 Cb 0.79 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1qo6 h ASP 91 CO 0.00 1.78 0.00 1.67 -1.72 0.00 0.00 179.24 180.97 1qo6 n GLN 92 N -3.54 0.00 -2.12 3.56 -0.06 -0.50 -4.98 117.38 109.73 1qo6 n GLN 92 Ca -0.26 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.31 1qo6 n GLN 92 Cb 1.07 -2.60 -0.03 0.00 -4.06 0.00 0.00 30.24 24.62 1qo6 n GLN 92 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1qo6 s LYS 93 N -0.05 3.98 0.33 3.69 3.01 -1.26 -4.97 119.74 124.47 1qo6 s LYS 93 Ca 0.00 1.83 0.01 0.00 -1.01 0.00 0.00 55.97 56.80 1qo6 s LYS 93 Cb 0.00 -3.98 -0.01 0.00 -1.01 0.00 0.00 37.83 32.82 1qo6 s LYS 93 CO 0.00 -1.07 0.37 1.52 0.51 0.00 0.00 175.35 176.68 1qo6 s TYR 94 N 4.60 1.34 0.00 3.18 -0.85 -1.26 -2.29 117.35 122.06 1qo6 s TYR 94 Ca 0.70 -1.44 0.00 0.00 -0.52 0.00 0.00 57.07 55.81 1qo6 s TYR 94 Cb -0.27 -0.37 0.00 0.00 0.38 0.00 0.00 41.96 41.70 1qo6 s TYR 94 CO 0.27 -0.99 0.00 0.43 -1.52 0.00 0.00 175.55 173.74 1qo6 n SER 95 N -1.36 0.36 -2.50 -0.18 7.64 -0.73 -3.73 113.62 113.12 1qo6 n SER 95 Ca 0.04 -0.64 -0.11 0.00 1.01 0.00 0.00 58.87 59.16 1qo6 n SER 95 Cb 0.62 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 1qo6 n SER 95 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1qo6 n PHE 96 N 0.00 -0.01 -3.31 1.43 3.72 -1.25 -2.07 117.46 115.97 1qo6 n PHE 96 Ca 0.00 -1.24 -0.02 0.00 -0.05 0.00 0.00 57.45 56.14 1qo6 n PHE 96 Cb 0.00 0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.52 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 6.07 0.27 0.00 0.00 1.35 -1.50 -3.34 112.91 115.77 1qo6 h THR 98 Ca -0.21 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1qo6 h THR 98 Cb 1.15 0.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1qo6 h THR 98 CO 0.24 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.98 1qo6 n ASP 99 N -5.51 0.00 0.00 5.36 9.92 -1.26 -4.84 116.55 120.21 1qo6 n ASP 99 Ca -0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1qo6 n ASP 99 Cb 0.40 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1qo6 n HIS 100 N 0.00 0.00 1.53 1.24 8.25 -1.26 -5.06 115.22 119.92 1qo6 n HIS 100 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1qo6 n HIS 100 Cb 0.00 0.00 0.73 0.00 1.12 0.00 0.00 29.99 31.84 1qo6 n HIS 100 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23