#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 1.59 3.29 2.72 0.00 -1.26 -5.06 105.19 106.47 1qo6 n GLY 2 Ca 0.00 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 1qo6 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qo6 s HIS 3 N -3.06 3.28 0.80 1.61 3.76 -1.26 -0.87 115.29 119.55 1qo6 s HIS 3 Ca 0.26 -1.40 -0.07 0.00 -0.15 0.00 0.00 55.06 53.71 1qo6 s HIS 3 Cb 0.42 -2.48 0.14 0.00 1.11 0.00 0.00 32.58 31.76 1qo6 s HIS 3 CO 0.01 -0.75 1.11 0.00 -0.85 0.00 0.00 174.74 174.26 1qo6 s VAL 5 N -3.41 0.08 -0.19 0.00 -7.23 -1.26 0.21 120.40 108.60 1qo6 s VAL 5 Ca 0.68 -0.63 -0.05 0.00 -1.81 0.00 0.00 61.98 60.17 1qo6 s VAL 5 Cb -0.06 -1.00 -0.22 0.00 0.56 0.00 0.00 36.38 35.67 1qo6 s VAL 5 CO 0.47 -0.35 0.10 0.35 -0.31 0.00 0.00 175.10 175.36 1qo6 n THR 6 N 0.41 1.65 0.09 5.32 -2.24 -1.22 -4.95 114.28 113.34 1qo6 n THR 6 Ca -0.18 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1qo6 n THR 6 Cb 0.60 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1qo6 n THR 6 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1qo6 n ASP 7 N -3.53 -0.36 0.00 3.42 9.92 -1.26 -5.05 116.55 119.69 1qo6 n ASP 7 Ca -0.38 0.32 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1qo6 n ASP 7 Cb 0.99 0.48 0.00 0.00 -0.64 0.00 0.00 41.12 41.95 1qo6 n ASP 7 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1qo6 n SER 8 N -3.08 0.00 0.13 -2.24 3.41 -1.26 -5.04 113.62 105.54 1qo6 n SER 8 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1qo6 n SER 8 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.00 -1.06 3.52 5.00 0.00 -1.26 -5.05 105.19 106.33 1qo6 n GLY 9 Ca 0.00 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 4.00 -0.86 1.61 1.01 -1.26 -4.96 120.40 117.93 1qo6 s VAL 10 Ca 0.00 -0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.61 1qo6 s VAL 10 Cb 0.00 -4.86 0.08 0.00 0.00 0.00 0.00 36.38 31.59 1qo6 s VAL 10 CO 0.00 -1.73 1.20 -0.69 0.00 0.00 0.00 175.10 173.88 1qo6 s VAL 11 N 4.90 4.25 0.78 2.92 1.01 -1.26 -3.45 120.40 129.56 1qo6 s VAL 11 Ca 0.33 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 1qo6 s VAL 11 Cb -0.09 -4.86 0.18 0.00 0.00 0.00 0.00 36.38 31.61 1qo6 s VAL 11 CO 0.08 -1.67 1.06 -1.22 0.00 0.00 0.00 175.10 173.34 1qo6 n TYR 12 N 7.91 -3.97 -4.08 5.22 4.01 0.58 -4.73 117.16 122.08 1qo6 n TYR 12 Ca 0.17 -0.95 -0.10 0.00 -0.16 0.00 0.00 57.90 56.85 1qo6 n TYR 12 Cb 0.49 -0.82 -0.11 0.00 -0.31 0.00 0.00 39.34 38.60 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 -4.88 0.76 -0.86 7.72 0.01 -1.26 0.25 113.70 115.45 1qo6 s SER 13 Ca 0.60 -0.76 -0.24 0.00 1.31 0.00 0.00 55.95 56.86 1qo6 s SER 13 Cb -0.02 0.10 -0.18 0.00 0.21 0.00 0.00 66.02 66.13 1qo6 s SER 13 CO 0.42 -0.37 2.26 0.55 0.41 0.00 0.00 173.24 176.51 1qo6 n VAL 14 N 0.78 0.00 0.00 3.43 3.14 -0.05 -0.30 118.33 125.34 1qo6 n VAL 14 Ca -0.18 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 60.84 1qo6 n VAL 14 Cb 0.58 -1.75 0.00 0.00 -1.06 0.00 0.00 33.84 31.61 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 6.43 1.25 0.32 7.55 0.00 -0.81 -4.94 105.19 114.99 1qo6 n GLY 15 Ca 0.45 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.62 1qo6 n GLY 15 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qo6 h MET 16 N 0.00 0.09 -4.21 1.61 -1.53 -0.95 -3.47 114.93 106.46 1qo6 h MET 16 Ca 0.00 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 1qo6 h MET 16 Cb 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.03 1qo6 h MET 16 CO 0.00 0.06 -0.82 1.04 0.14 0.00 0.00 176.91 177.33 1qo6 n GLN 17 N -5.35 -4.78 -0.94 0.39 6.02 -1.26 -5.03 117.38 106.43 1qo6 n GLN 17 Ca 0.23 3.37 0.00 0.00 -0.01 0.00 0.00 57.00 60.59 1qo6 n GLN 17 Cb 0.75 -3.73 0.00 0.00 1.02 0.00 0.00 30.24 28.28 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 1.83 -0.20 -3.63 1.08 2.14 -0.42 -5.03 117.44 113.21 1qo6 n TRP 18 Ca 0.00 0.00 -0.19 0.00 2.07 0.00 0.00 57.50 59.38 1qo6 n TRP 18 Cb 0.00 0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.34 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 0.04 0.11 5.67 2.96 -1.26 -1.61 118.68 124.59 1qo6 s LEU 19 Ca 0.00 0.03 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 1qo6 s LEU 19 Cb 0.00 0.11 -0.06 0.00 0.50 0.00 0.00 46.19 46.74 1qo6 s LEU 19 CO 0.00 -0.28 0.42 -1.59 -1.32 0.00 0.00 176.35 173.58 1qo6 s LYS 20 N 2.24 3.75 0.00 1.98 -2.85 0.59 -4.86 119.74 120.58 1qo6 s LYS 20 Ca 0.04 0.15 0.00 0.00 -1.00 0.00 0.00 55.97 55.16 1qo6 s LYS 20 Cb -0.13 -2.93 0.00 0.00 -2.06 0.00 0.00 37.83 32.71 1qo6 s LYS 20 CO -0.07 0.51 0.00 2.41 0.10 0.00 0.00 175.35 178.31 1qo6 n THR 21 N 0.64 0.00 -2.53 3.79 -1.04 -1.26 0.20 114.28 114.07 1qo6 n THR 21 Ca -0.06 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.05 61.41 1qo6 n THR 21 Cb 0.52 0.59 -0.01 0.00 -1.82 0.00 0.00 70.33 69.61 1qo6 n THR 21 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1qo6 s GLN 22 N -1.24 3.80 0.00 -2.82 -1.52 -1.26 -3.69 119.66 112.93 1qo6 s GLN 22 Ca 0.00 -1.79 0.00 0.00 -1.95 0.00 0.00 55.36 51.62 1qo6 s GLN 22 Cb 0.00 -5.49 0.00 0.00 -0.22 0.00 0.00 33.01 27.30 1qo6 s GLN 22 CO 0.00 -2.39 0.00 0.41 -0.25 0.00 0.00 175.29 173.06 1qo6 n GLY 23 N 5.66 0.03 1.57 3.09 0.00 -1.26 -5.07 105.19 109.21 1qo6 n GLY 23 Ca 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.17 0.00 0.07 1.61 3.02 -1.24 -5.08 115.26 112.47 1qo6 n ASN 24 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1qo6 n ASN 24 Cb 0.00 0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 1qo6 n ASN 24 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qo6 n LYS 25 N -2.21 0.00 -3.66 3.52 4.01 -1.26 -5.13 118.16 113.43 1qo6 n LYS 25 Ca 0.00 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.72 1qo6 n LYS 25 Cb 0.00 -0.03 -0.08 0.00 -0.51 0.00 0.00 35.03 34.40 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 -1.52 0.58 -0.09 1.97 -0.21 -1.26 -4.77 119.66 114.36 1qo6 s GLN 26 Ca 0.00 1.08 -0.04 0.00 0.02 0.00 0.00 55.36 56.42 1qo6 s GLN 26 Cb 0.00 0.13 0.04 0.00 1.00 0.00 0.00 33.01 34.18 1qo6 s GLN 26 CO 0.00 -0.16 0.20 1.41 -2.12 0.00 0.00 175.29 174.62 1qo6 s MET 27 N 1.65 0.16 -0.24 2.91 1.75 0.13 -0.85 119.30 124.81 1qo6 s MET 27 Ca -0.09 0.45 -0.19 0.00 -1.25 0.00 0.00 55.69 54.60 1qo6 s MET 27 Cb -0.07 -0.13 -0.03 0.00 2.84 0.00 0.00 34.83 37.44 1qo6 s MET 27 CO -0.17 -0.16 0.56 -1.17 -0.65 0.00 0.00 175.02 173.43 1qo6 s LEU 28 N 1.15 4.08 0.18 4.11 2.96 -0.78 0.22 118.68 130.61 1qo6 s LEU 28 Ca -0.09 0.64 0.05 0.00 -0.22 0.00 0.00 54.13 54.52 1qo6 s LEU 28 Cb -0.10 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 1qo6 s LEU 28 CO -0.07 -0.29 0.14 0.00 -1.32 0.00 0.00 176.35 174.82 1qo6 s THR 30 N -1.81 0.04 -0.38 0.00 2.01 0.37 -1.30 115.64 114.56 1qo6 s THR 30 Ca 0.31 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 1qo6 s THR 30 Cb -0.10 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 71.89 1qo6 s THR 30 CO 0.24 -0.17 0.25 0.00 -0.69 0.00 0.00 174.62 174.25 1qo6 h LEU 32 N 8.52 0.30 0.00 0.00 -0.00 -1.89 -2.15 115.31 120.09 1qo6 h LEU 32 Ca -0.28 -0.80 0.00 0.00 -0.00 0.00 0.00 57.88 56.80 1qo6 h LEU 32 Cb 1.12 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 1qo6 h LEU 32 CO 0.69 1.65 0.00 0.61 -0.00 0.00 0.00 178.44 181.38 1qo6 n GLY 33 N 1.74 0.90 0.08 0.17 0.00 -1.26 -4.87 105.19 101.94 1qo6 n GLY 33 Ca -0.28 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.21 0.00 1.61 6.94 -1.26 -5.00 115.26 117.77 1qo6 n ASN 34 Ca 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.66 1qo6 n ASN 34 Cb 0.00 1.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.44 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 1.55 -1.99 0.00 4.83 0.00 -1.26 -5.16 105.19 103.17 1qo6 n GLY 35 Ca -0.21 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1qo6 n GLY 35 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qo6 n VAL 36 N -1.90 0.00 -4.36 1.61 0.31 -1.26 -4.62 118.33 108.11 1qo6 n VAL 36 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 1qo6 n VAL 36 Cb 0.00 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 1qo6 n VAL 36 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1qo6 s SER 37 N 0.00 4.75 0.23 4.52 0.15 0.15 -4.85 113.70 118.65 1qo6 s SER 37 Ca 0.00 -0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.54 1qo6 s SER 37 Cb 0.00 -1.78 -0.05 0.00 -1.71 0.00 0.00 66.02 62.48 1qo6 s SER 37 CO 0.00 0.15 -0.05 0.00 1.20 0.00 0.00 173.24 174.54 1qo6 s GLN 39 N -3.78 1.34 -0.80 0.00 -0.21 0.63 -4.95 119.66 111.90 1qo6 s GLN 39 Ca 0.26 -0.28 -0.26 0.00 0.02 0.00 0.00 55.36 55.11 1qo6 s GLN 39 Cb 0.04 -1.20 -0.12 0.00 1.00 0.00 0.00 33.01 32.73 1qo6 s GLN 39 CO 0.08 -0.04 2.35 -2.00 -2.12 0.00 0.00 175.29 173.55 1qo6 s GLU 40 N 0.86 1.74 0.00 2.91 2.12 -1.26 -1.86 118.70 123.20 1qo6 s GLU 40 Ca -0.12 0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.62 1qo6 s GLU 40 Cb -0.15 -4.82 0.00 0.00 0.26 0.00 0.00 34.13 29.42 1qo6 s GLU 40 CO 0.01 -4.28 0.00 2.41 -0.54 0.00 0.00 175.26 172.86 1qo6 n THR 41 N 8.65 0.00 -2.03 -1.70 -1.04 -0.03 -4.65 114.28 113.48 1qo6 n THR 41 Ca 0.46 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.44 1qo6 n THR 41 Cb 0.44 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.93 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 -3.34 0.02 2.41 0.00 -1.23 -4.81 120.51 113.56 1qo6 n ALA 42 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 53.44 54.53 1qo6 n ALA 42 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.33 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 0.76 0.04 -3.17 0.00 0.24 -1.26 -4.70 118.33 110.25 1qo6 n VAL 43 Ca -0.19 0.01 0.02 0.00 -2.04 0.00 0.00 64.34 62.15 1qo6 n VAL 43 Cb 0.29 -0.26 -0.01 0.00 -1.47 0.00 0.00 33.84 32.39 1qo6 n VAL 43 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1qo6 n THR 44 N -2.67 0.00 -1.75 3.34 -2.24 -1.26 -4.74 114.28 104.95 1qo6 n THR 44 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1qo6 n THR 44 Cb 0.00 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1qo6 n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qo6 n GLN 45 N -1.66 3.85 -3.88 -0.78 6.02 -1.26 -4.95 117.38 114.72 1qo6 n GLN 45 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 1qo6 n GLN 45 Cb 0.07 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.27 1qo6 n GLN 45 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1qo6 s THR 46 N 2.25 0.04 -0.30 5.09 -4.23 -1.26 -3.35 115.64 113.88 1qo6 s THR 46 Ca 0.00 -1.17 -0.19 0.00 -1.18 0.00 0.00 61.69 59.15 1qo6 s THR 46 Cb 0.00 -1.79 0.19 0.00 1.34 0.00 0.00 72.50 72.23 1qo6 s THR 46 CO 0.00 -0.19 1.27 -0.72 -0.54 0.00 0.00 174.62 174.43 1qo6 s TYR 47 N -3.94 -0.09 0.00 3.99 1.13 -1.26 -4.67 117.35 112.51 1qo6 s TYR 47 Ca 0.15 0.14 0.00 0.00 -1.41 0.00 0.00 57.07 55.95 1qo6 s TYR 47 Cb 0.01 0.05 0.00 0.00 -1.10 0.00 0.00 41.96 40.92 1qo6 s TYR 47 CO 0.00 -0.05 0.00 0.41 -2.51 0.00 0.00 175.55 173.40 1qo6 n GLY 48 N 4.89 1.36 7.00 5.49 0.00 -1.18 -4.49 105.19 118.26 1qo6 n GLY 48 Ca -0.07 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.43 0.13 -0.02 0.00 -1.26 0.12 105.19 104.60 1qo6 n GLY 49 Ca 0.00 -0.83 0.10 0.00 0.00 0.00 0.00 46.02 45.29 1qo6 n GLY 49 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1qo6 h ASN 50 N 6.84 0.00 -0.27 1.61 -0.00 0.06 -3.31 115.58 120.51 1qo6 h ASN 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1qo6 h ASN 50 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1qo6 h ASN 50 CO 0.00 0.07 0.00 -0.24 -0.00 0.00 0.00 177.43 177.26 1qo6 n SER 51 N -2.79 3.84 -1.38 1.15 2.88 -0.64 -4.78 113.62 111.90 1qo6 n SER 51 Ca -0.00 -2.96 -0.12 0.00 -1.33 0.00 0.00 58.87 54.47 1qo6 n SER 51 Cb 0.58 -0.53 -0.05 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.44 -3.08 -0.05 -3.46 5.15 0.33 -3.12 115.26 110.61 1qo6 n ASN 52 Ca 0.21 0.28 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 1qo6 n ASN 52 Cb 0.87 -2.92 0.00 0.00 -0.53 0.00 0.00 39.78 37.19 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 -0.24 0.80 3.54 8.20 0.00 0.27 -3.13 105.19 114.64 1qo6 n GLY 53 Ca -0.12 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.03 1.81 0.74 1.61 0.41 -1.18 -4.81 118.70 115.24 1qo6 s GLU 54 Ca 0.00 -1.97 -0.16 0.00 -0.41 0.00 0.00 54.97 52.43 1qo6 s GLU 54 Cb 0.00 -1.52 -0.04 0.00 -1.78 0.00 0.00 34.13 30.79 1qo6 s GLU 54 CO 0.00 0.03 0.49 -2.30 -0.49 0.00 0.00 175.26 172.99 1qo6 n PRO 55 N -0.81 0.24 -2.35 0.39 -0.02 -1.26 -4.80 135.00 126.39 1qo6 n PRO 55 Ca -0.05 0.12 -0.17 0.00 -2.02 0.00 0.00 63.50 61.39 1qo6 n PRO 55 Cb 0.65 -1.80 0.07 0.00 -0.02 0.00 0.00 33.50 32.40 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 -2.26 -0.16 -3.77 0.00 3.14 0.83 -4.79 118.33 111.33 1qo6 n VAL 57 Ca 0.13 -4.38 -0.21 0.00 -2.96 0.00 0.00 64.34 56.92 1qo6 n VAL 57 Cb 0.47 -0.14 -0.04 0.00 -1.06 0.00 0.00 33.84 33.07 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 -2.42 3.51 0.22 6.55 -0.00 -1.26 -4.01 118.68 121.27 1qo6 s LEU 58 Ca 0.39 -0.59 -0.30 0.00 -0.00 0.00 0.00 54.13 53.62 1qo6 s LEU 58 Cb 0.35 -2.12 -0.09 0.00 -0.00 0.00 0.00 46.19 44.32 1qo6 s LEU 58 CO -0.08 -0.44 1.32 -2.84 -0.00 0.00 0.00 176.35 174.31 1qo6 s PRO 59 N -4.02 4.38 0.51 1.48 0.02 -1.26 -5.02 135.00 131.10 1qo6 s PRO 59 Ca 0.43 2.09 0.02 0.00 0.02 0.00 0.00 61.00 63.56 1qo6 s PRO 59 Cb -0.05 -3.17 -0.01 0.00 0.02 0.00 0.00 34.50 31.30 1qo6 s PRO 59 CO 0.27 -0.25 0.08 -0.59 -0.33 0.00 0.00 177.00 176.18 1qo6 s PHE 60 N -0.07 1.86 -0.13 6.54 -0.12 -0.99 -4.91 117.98 120.16 1qo6 s PHE 60 Ca 0.56 -0.92 0.03 0.00 -0.05 0.00 0.00 56.93 56.55 1qo6 s PHE 60 Cb -0.37 -1.68 0.01 0.00 -0.63 0.00 0.00 43.02 40.34 1qo6 s PHE 60 CO 0.40 0.10 -0.22 0.99 -0.05 0.00 0.00 175.22 176.44 1qo6 s THR 61 N -2.85 2.04 -0.04 -4.49 2.01 -1.26 -2.03 115.64 109.03 1qo6 s THR 61 Ca 0.13 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 61.13 1qo6 s THR 61 Cb 0.01 -1.79 0.03 0.00 0.01 0.00 0.00 72.50 70.76 1qo6 s THR 61 CO 0.07 0.55 0.06 -0.47 -0.69 0.00 0.00 174.62 174.15 1qo6 s TYR 62 N 0.66 -0.00 0.00 4.92 5.04 -0.84 -4.80 117.35 122.33 1qo6 s TYR 62 Ca -0.11 0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.77 1qo6 s TYR 62 Cb -0.16 -0.29 0.00 0.00 0.35 0.00 0.00 41.96 41.86 1qo6 s TYR 62 CO 0.02 -0.14 0.00 -1.71 -1.34 0.00 0.00 175.55 172.37 1qo6 n ASN 63 N 4.59 -2.06 0.00 4.32 2.85 -1.26 -2.08 115.26 121.63 1qo6 n ASN 63 Ca -0.19 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 1qo6 n ASN 63 Cb 0.50 -1.57 0.00 0.00 1.24 0.00 0.00 39.78 39.95 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 -1.56 0.73 0.00 8.20 0.00 -1.26 -5.08 105.19 106.21 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 -1.04 3.06 -4.06 1.61 1.85 -0.88 -5.09 116.66 112.11 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 -0.10 0.00 -1.05 0.00 0.00 32.46 31.31 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 1.53 0.22 -0.05 8.89 2.01 -1.26 -1.99 115.64 125.00 1qo6 s THR 66 Ca 0.00 -1.56 -0.04 0.00 0.31 0.00 0.00 61.69 60.41 1qo6 s THR 66 Cb 0.00 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.36 1qo6 s THR 66 CO 0.00 -0.84 0.12 -0.36 -0.69 0.00 0.00 174.62 172.85 1qo6 s PHE 67 N -3.18 -0.13 -0.94 4.92 0.40 -0.86 -4.94 117.98 113.25 1qo6 s PHE 67 Ca 0.01 0.35 0.13 0.00 -0.60 0.00 0.00 56.93 56.81 1qo6 s PHE 67 Cb 0.03 0.01 0.58 0.00 0.51 0.00 0.00 43.02 44.14 1qo6 s PHE 67 CO -0.07 -0.09 1.43 0.66 0.70 0.00 0.00 175.22 177.85 1qo6 n TYR 68 N 3.31 1.30 -1.88 0.36 4.01 -1.26 -2.35 117.16 120.65 1qo6 n TYR 68 Ca -0.16 -0.49 0.00 0.00 -0.16 0.00 0.00 57.90 57.09 1qo6 n TYR 68 Cb 0.57 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 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 0.68 0.00 -4.21 7.72 7.64 -1.26 -4.87 113.62 119.32 1qo6 n SER 69 Ca 0.20 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.71 1qo6 n SER 69 Cb 0.80 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 64.04 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 -1.99 0.00 -0.53 0.00 -1.32 0.16 -4.78 115.64 107.17 1qo6 s THR 71 Ca 0.53 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 61.06 1qo6 s THR 71 Cb -0.37 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 69.98 1qo6 s THR 71 CO 0.70 0.00 0.99 0.35 -2.21 0.00 0.00 174.62 174.45 1qo6 n THR 72 N 0.38 2.79 -0.17 5.08 -2.24 -1.26 -0.26 114.28 118.60 1qo6 n THR 72 Ca -0.17 -5.36 0.06 0.00 -2.27 0.00 0.00 64.05 56.31 1qo6 n THR 72 Cb 0.60 -1.32 0.17 0.00 -2.10 0.00 0.00 70.33 67.69 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 -0.30 2.75 -2.73 -0.78 -0.58 -1.26 -4.75 120.64 113.00 1qo6 n GLU 73 Ca 0.33 -2.10 -0.07 0.00 -0.42 0.00 0.00 57.16 54.90 1qo6 n GLU 73 Cb 0.47 -1.31 0.06 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 0.69 -0.33 3.55 0.62 0.00 -1.26 -5.04 105.19 103.42 1qo6 n GLY 74 Ca 0.13 0.34 -0.10 0.00 0.00 0.00 0.00 46.02 46.39 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 0.50 1.55 -0.22 1.61 3.03 -1.26 -5.06 118.95 119.10 1qo6 s ARG 75 Ca 0.29 -1.32 0.11 0.00 2.03 0.00 0.00 55.73 56.83 1qo6 s ARG 75 Cb 0.24 0.45 0.43 0.00 -1.03 0.00 0.00 34.95 35.04 1qo6 s ARG 75 CO -0.19 -0.64 1.21 0.00 -1.13 0.00 0.00 175.30 174.56 1qo6 n GLN 76 N -0.39 1.86 0.08 3.89 10.64 -1.26 -4.80 117.38 127.40 1qo6 n GLN 76 Ca -0.01 -3.41 0.00 0.00 -1.83 0.00 0.00 57.00 51.75 1qo6 n GLN 76 Cb 0.62 -1.69 0.00 0.00 -0.86 0.00 0.00 30.24 28.32 1qo6 n GLN 76 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1qo6 n ASP 77 N -1.03 -0.06 0.00 2.61 2.03 -1.26 -5.08 116.55 113.76 1qo6 n ASP 77 Ca 0.22 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.81 1qo6 n ASP 77 Cb 0.74 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.36 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 1.63 1.01 3.40 0.27 0.00 -1.26 -5.14 105.19 105.09 1qo6 n GLY 78 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.01 2.91 0.01 1.61 3.76 -1.26 -5.06 115.29 116.26 1qo6 s HIS 79 Ca 0.00 -0.58 -0.37 0.00 -0.15 0.00 0.00 55.06 53.97 1qo6 s HIS 79 Cb 0.00 -1.93 -0.16 0.00 1.11 0.00 0.00 32.58 31.60 1qo6 s HIS 79 CO 0.00 -0.21 1.48 1.28 -0.85 0.00 0.00 174.74 176.45 1qo6 n LEU 80 N 3.75 2.10 -4.15 0.89 4.32 -1.25 -4.72 117.00 117.93 1qo6 n LEU 80 Ca -0.18 1.10 -0.18 0.00 -0.02 0.00 0.00 56.01 56.73 1qo6 n LEU 80 Cb 0.52 -1.22 -0.12 0.00 -1.62 0.00 0.00 43.42 40.98 1qo6 n LEU 80 CO 0.31 -0.76 -0.45 -1.66 -1.22 0.00 0.00 177.39 173.61 1qo6 s TRP 81 N 1.35 1.14 0.30 -1.77 1.48 0.64 0.25 118.94 122.33 1qo6 s TRP 81 Ca 0.87 -0.42 0.03 0.00 -1.06 0.00 0.00 56.10 55.52 1qo6 s TRP 81 Cb -0.92 -0.66 -0.06 0.00 -1.16 0.00 0.00 33.47 30.67 1qo6 s TRP 81 CO 0.50 0.03 0.07 0.00 -4.06 0.00 0.00 176.95 173.49 1qo6 s SER 83 N -3.43 6.31 0.18 0.00 0.15 -1.26 0.13 113.70 115.78 1qo6 s SER 83 Ca 0.37 0.36 -0.02 0.00 0.70 0.00 0.00 55.95 57.36 1qo6 s SER 83 Cb 0.08 -2.15 0.08 0.00 -1.71 0.00 0.00 66.02 62.32 1qo6 s SER 83 CO 0.15 0.08 1.45 0.71 1.20 0.00 0.00 173.24 176.83 1qo6 h THR 84 N 4.81 1.37 -2.27 6.45 1.35 -1.64 2.47 112.91 125.44 1qo6 h THR 84 Ca -0.40 -2.06 -0.55 0.00 -0.55 0.00 0.00 66.41 62.85 1qo6 h THR 84 Cb 1.16 2.04 -0.14 0.00 -1.73 0.00 0.00 68.15 69.48 1qo6 h THR 84 CO 0.73 0.62 -0.65 0.28 -0.25 0.00 0.00 175.52 176.25 1qo6 s THR 85 N -3.70 1.82 0.18 6.82 -1.32 -1.26 -4.01 115.64 114.17 1qo6 s THR 85 Ca -0.06 -2.10 -0.10 0.00 -1.21 0.00 0.00 61.69 58.22 1qo6 s THR 85 Cb 0.11 -2.67 0.08 0.00 -1.51 0.00 0.00 72.50 68.50 1qo6 s THR 85 CO 0.84 -0.17 1.68 0.28 -2.21 0.00 0.00 174.62 175.04 1qo6 h SER 86 N 2.08 0.99 -2.60 8.08 0.02 -1.89 -3.31 113.55 116.92 1qo6 h SER 86 Ca -0.41 -0.25 -0.78 0.00 -0.84 0.00 0.00 61.79 59.50 1qo6 h SER 86 Cb 1.24 -0.26 -0.23 0.00 0.14 0.00 0.00 62.40 63.29 1qo6 h SER 86 CO 0.71 0.99 1.09 -3.20 -1.14 0.00 0.00 176.83 175.27 1qo6 n ASN 87 N -4.28 5.71 0.16 3.07 2.85 -1.26 -4.75 115.26 116.75 1qo6 n ASN 87 Ca 0.04 -3.18 0.03 0.00 -0.11 0.00 0.00 54.58 51.35 1qo6 n ASN 87 Cb 0.27 -1.39 0.20 0.00 1.24 0.00 0.00 39.78 40.10 1qo6 n ASN 87 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1qo6 h TYR 88 N 6.08 0.00 0.00 1.20 5.03 -1.92 -1.20 116.97 126.16 1qo6 h TYR 88 Ca 0.26 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.48 1qo6 h TYR 88 Cb 0.72 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.99 1qo6 h TYR 88 CO 1.02 0.50 -0.40 0.93 -1.32 0.00 0.00 178.16 178.89 1qo6 h GLU 89 N 0.00 0.00 0.04 1.82 5.08 -1.93 1.06 114.58 120.64 1qo6 h GLU 89 Ca -0.01 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.00 1qo6 h GLU 89 Cb 1.11 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 1qo6 h GLU 89 CO 0.07 0.40 -2.13 0.00 -1.00 0.00 0.00 179.01 176.35 1qo6 n GLN 90 N -3.83 0.69 -0.09 2.33 -0.00 -1.15 -4.57 117.38 110.75 1qo6 n GLN 90 Ca -0.01 0.19 -0.18 0.00 -0.00 0.00 0.00 57.00 57.00 1qo6 n GLN 90 Cb 0.46 -1.65 -0.11 0.00 -0.00 0.00 0.00 30.24 28.95 1qo6 n GLN 90 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1qo6 h ASP 91 N 0.02 0.00 -0.30 2.61 1.82 -1.22 -3.49 116.42 115.86 1qo6 h ASP 91 Ca -0.45 -0.55 -0.03 0.00 -0.39 0.00 0.00 57.03 55.61 1qo6 h ASP 91 Cb 2.04 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 42.05 1qo6 h ASP 91 CO 0.03 1.30 -0.04 1.67 -1.61 0.00 0.00 179.24 180.59 1qo6 n GLN 92 N -4.49 -0.16 -3.76 0.28 -0.06 0.36 -5.02 117.38 104.53 1qo6 n GLN 92 Ca -0.25 0.07 -0.37 0.00 -2.00 0.00 0.00 57.00 54.46 1qo6 n GLN 92 Cb 0.59 -3.59 -0.12 0.00 -4.06 0.00 0.00 30.24 23.06 1qo6 n GLN 92 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 1qo6 s LYS 93 N -4.15 2.22 0.36 3.69 0.00 -1.26 -4.97 119.74 115.63 1qo6 s LYS 93 Ca 0.00 -1.64 0.08 0.00 0.00 0.00 0.00 55.97 54.42 1qo6 s LYS 93 Cb -0.00 -3.56 -0.06 0.00 0.00 0.00 0.00 37.83 34.21 1qo6 s LYS 93 CO 0.00 -0.96 0.01 1.52 0.00 0.00 0.00 175.35 175.93 1qo6 s TYR 94 N 1.23 2.52 0.50 1.78 -0.85 -1.26 -2.28 117.35 118.99 1qo6 s TYR 94 Ca 0.04 -0.51 0.02 0.00 -0.52 0.00 0.00 57.07 56.10 1qo6 s TYR 94 Cb -0.22 -1.59 -0.02 0.00 0.38 0.00 0.00 41.96 40.51 1qo6 s TYR 94 CO -0.02 0.45 0.03 -1.12 -1.52 0.00 0.00 175.55 173.37 1qo6 s SER 95 N -3.72 4.14 0.34 -0.18 0.01 0.34 0.78 113.70 115.41 1qo6 s SER 95 Ca 0.35 -1.59 0.02 0.00 1.31 0.00 0.00 55.95 56.05 1qo6 s SER 95 Cb 0.03 0.39 0.02 0.00 0.21 0.00 0.00 66.02 66.67 1qo6 s SER 95 CO 0.19 -0.82 0.18 0.49 0.41 0.00 0.00 173.24 173.69 1qo6 n PHE 96 N -1.26 -0.45 -3.72 2.43 3.72 -1.26 -0.34 117.46 116.58 1qo6 n PHE 96 Ca -0.16 -1.48 -0.12 0.00 -0.05 0.00 0.00 57.45 55.64 1qo6 n PHE 96 Cb 0.67 -0.26 -0.12 0.00 -0.94 0.00 0.00 39.48 38.83 1qo6 n PHE 96 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qo6 n THR 98 N 4.04 0.00 0.00 0.00 -2.24 -1.21 -3.92 114.28 110.94 1qo6 n THR 98 Ca -0.23 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1qo6 n THR 98 Cb 0.55 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 1qo6 n THR 98 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qo6 n ASP 99 N 0.00 0.00 0.00 3.42 -0.08 -1.26 -4.58 116.55 114.05 1qo6 n ASP 99 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1qo6 n ASP 99 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1qo6 n ASP 99 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1qo6 n HIS 100 N 0.00 0.00 0.00 -0.67 8.25 -1.26 -5.11 115.22 116.42 1qo6 n HIS 100 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1qo6 n HIS 100 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61