#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 0.75 3.88 2.98 0.00 -1.26 -4.85 105.19 106.69 1qo6 n GLY 2 Ca 0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1qo6 n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qo6 s HIS 3 N -1.73 3.44 0.01 1.61 5.04 -1.26 0.24 115.29 122.64 1qo6 s HIS 3 Ca 0.00 0.80 0.04 0.00 -1.54 0.00 0.00 55.06 54.35 1qo6 s HIS 3 Cb 0.00 -2.21 -0.01 0.00 0.04 0.00 0.00 32.58 30.40 1qo6 s HIS 3 CO 0.00 0.24 -0.11 0.00 -2.34 0.00 0.00 174.74 172.53 1qo6 s VAL 5 N -0.55 0.00 0.00 0.00 0.11 -1.26 0.27 120.40 118.98 1qo6 s VAL 5 Ca 0.02 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1qo6 s VAL 5 Cb -0.06 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 1qo6 s VAL 5 CO 0.00 0.00 0.00 0.35 -3.33 0.00 0.00 175.10 172.12 1qo6 n THR 6 N -0.07 0.00 1.36 5.04 -2.24 -1.25 -4.99 114.28 112.12 1qo6 n THR 6 Ca -0.17 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.76 1qo6 n THR 6 Cb 0.63 0.00 0.73 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.13 0.03 0.03 3.42 8.00 -1.26 -2.98 116.55 123.65 1qo6 n ASP 7 Ca 0.00 -0.07 0.12 0.00 0.71 0.00 0.00 54.79 55.55 1qo6 n ASP 7 Cb 0.00 -0.30 0.23 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.30 0.57 0.00 -2.24 7.64 -1.26 -4.93 113.62 112.09 1qo6 n SER 8 Ca 0.13 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1qo6 n SER 8 Cb 0.26 0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 1.42 0.95 3.55 0.23 0.00 -1.16 -4.97 105.19 105.21 1qo6 n GLY 9 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 0.00 -1.86 1.61 0.31 -1.26 -4.81 118.33 110.31 1qo6 n VAL 10 Ca 0.00 -0.47 -0.27 0.00 -0.01 0.00 0.00 64.34 63.60 1qo6 n VAL 10 Cb 0.00 -1.85 -0.08 0.00 -0.91 0.00 0.00 33.84 31.01 1qo6 n VAL 10 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1qo6 n VAL 11 N 8.59 1.46 -1.06 2.52 0.31 -1.26 -3.96 118.33 124.92 1qo6 n VAL 11 Ca 0.48 -1.50 -0.15 0.00 -0.01 0.00 0.00 64.34 63.15 1qo6 n VAL 11 Cb 0.41 -2.14 0.12 0.00 -0.91 0.00 0.00 33.84 31.32 1qo6 n VAL 11 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1qo6 n TYR 12 N 15.05 -3.68 -3.74 3.52 4.01 0.77 -4.89 117.16 128.20 1qo6 n TYR 12 Ca 0.44 -0.55 -0.13 0.00 -0.16 0.00 0.00 57.90 57.50 1qo6 n TYR 12 Cb 0.46 -0.57 -0.10 0.00 -0.31 0.00 0.00 39.34 38.82 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 -3.24 -0.41 -0.28 7.72 0.01 -1.26 -2.25 113.70 114.00 1qo6 s SER 13 Ca 0.38 0.77 -0.03 0.00 1.31 0.00 0.00 55.95 58.39 1qo6 s SER 13 Cb -0.03 0.76 -0.10 0.00 0.21 0.00 0.00 66.02 66.87 1qo6 s SER 13 CO 0.28 -0.14 0.67 0.55 0.41 0.00 0.00 173.24 175.01 1qo6 n VAL 14 N 3.09 0.00 0.00 3.43 3.14 0.64 -0.98 118.33 127.65 1qo6 n VAL 14 Ca -0.15 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 1qo6 n VAL 14 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 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 1.86 1.09 2.51 7.55 0.00 -0.59 -5.00 105.19 112.61 1qo6 n GLY 15 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.03 3.26 -1.05 1.61 2.00 -0.15 -5.04 117.12 117.71 1qo6 n MET 16 Ca 0.00 -4.43 -0.41 0.00 0.00 0.00 0.00 57.70 52.86 1qo6 n MET 16 Cb 0.00 -2.18 -0.06 0.00 0.00 0.00 0.00 33.22 30.98 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 -0.44 0.00 -2.18 0.03 6.02 -1.26 -4.84 117.38 114.70 1qo6 n GLN 17 Ca 0.37 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.34 1qo6 n GLN 17 Cb 0.66 -0.94 -0.01 0.00 1.02 0.00 0.00 30.24 30.98 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 2.10 0.02 -3.96 1.08 2.14 -0.22 -5.01 117.44 113.59 1qo6 n TRP 18 Ca 0.18 -0.19 -0.30 0.00 2.07 0.00 0.00 57.50 59.25 1qo6 n TRP 18 Cb -0.02 -0.00 -0.16 0.00 -0.81 0.00 0.00 31.31 30.33 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 2.66 0.19 5.67 2.96 -1.26 -1.93 118.68 126.97 1qo6 s LEU 19 Ca 0.01 -1.19 -0.15 0.00 -0.22 0.00 0.00 54.13 52.59 1qo6 s LEU 19 Cb 0.00 -1.22 -0.07 0.00 0.50 0.00 0.00 46.19 45.39 1qo6 s LEU 19 CO 0.01 -0.23 0.60 -0.75 -1.32 0.00 0.00 176.35 174.67 1qo6 s LYS 20 N 1.36 4.01 0.03 1.98 2.47 0.69 -4.90 119.74 125.38 1qo6 s LYS 20 Ca -0.06 0.55 0.01 0.00 -1.56 0.00 0.00 55.97 54.91 1qo6 s LYS 20 Cb -0.19 -2.83 -0.02 0.00 -1.46 0.00 0.00 37.83 33.33 1qo6 s LYS 20 CO -0.06 0.41 -0.05 0.95 0.16 0.00 0.00 175.35 176.75 1qo6 s THR 21 N -1.58 0.32 -0.65 3.43 -4.23 -1.26 0.13 115.64 111.80 1qo6 s THR 21 Ca 0.42 -0.90 0.06 0.00 -1.18 0.00 0.00 61.69 60.09 1qo6 s THR 21 Cb -0.14 -0.41 0.13 0.00 1.34 0.00 0.00 72.50 73.42 1qo6 s THR 21 CO 0.20 -0.38 0.98 0.00 -0.54 0.00 0.00 174.62 174.87 1qo6 n GLN 22 N 1.70 1.77 0.00 3.99 1.13 -1.19 -4.97 117.38 119.80 1qo6 n GLN 22 Ca -0.22 -1.46 0.00 0.00 -1.94 0.00 0.00 57.00 53.37 1qo6 n GLN 22 Cb 0.55 -1.14 0.00 0.00 0.11 0.00 0.00 30.24 29.76 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 0.20 3.11 0.06 1.08 0.00 -1.26 -4.70 105.19 103.68 1qo6 n GLY 23 Ca 0.06 0.00 -0.06 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 0.11 2.27 -1.64 1.61 4.05 -1.26 -5.08 115.26 115.32 1qo6 n ASN 24 Ca 0.00 -0.01 -0.05 0.00 0.45 0.00 0.00 54.58 54.97 1qo6 n ASN 24 Cb 0.00 0.67 -0.02 0.00 1.23 0.00 0.00 39.78 41.66 1qo6 n ASN 24 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 1qo6 n LYS 25 N -2.48 0.17 -4.32 1.20 0.00 -1.26 -5.18 118.16 106.29 1qo6 n LYS 25 Ca -0.19 -0.92 -0.23 0.00 -0.00 0.00 0.00 58.31 56.96 1qo6 n LYS 25 Cb 0.86 0.82 -0.08 0.00 -0.00 0.00 0.00 35.03 36.63 1qo6 n LYS 25 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1qo6 s GLN 26 N -2.32 2.17 -0.29 -1.58 -0.21 -1.26 -3.17 119.66 113.00 1qo6 s GLN 26 Ca 0.10 -1.50 -0.13 0.00 0.02 0.00 0.00 55.36 53.85 1qo6 s GLN 26 Cb 0.00 -2.08 0.11 0.00 1.00 0.00 0.00 33.01 32.04 1qo6 s GLN 26 CO 0.07 0.34 0.69 1.41 -2.12 0.00 0.00 175.29 175.69 1qo6 s MET 27 N -3.65 0.62 -0.31 2.91 1.75 0.12 0.17 119.30 120.91 1qo6 s MET 27 Ca 0.32 1.29 -0.21 0.00 -1.25 0.00 0.00 55.69 55.83 1qo6 s MET 27 Cb -0.06 0.48 -0.01 0.00 2.84 0.00 0.00 34.83 38.09 1qo6 s MET 27 CO 0.19 -0.17 0.69 -1.17 -0.65 0.00 0.00 175.02 173.91 1qo6 s LEU 28 N 2.22 4.13 0.05 4.11 2.96 -0.62 0.25 118.68 131.78 1qo6 s LEU 28 Ca -0.08 0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1qo6 s LEU 28 Cb -0.08 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 1qo6 s LEU 28 CO -0.19 -0.53 0.09 0.00 -1.32 0.00 0.00 176.35 174.39 1qo6 s THR 30 N -1.34 -0.66 -0.52 0.00 2.01 0.46 -1.05 115.64 114.54 1qo6 s THR 30 Ca 0.28 0.09 -0.24 0.00 0.31 0.00 0.00 61.69 62.13 1qo6 s THR 30 Cb -0.12 -0.73 0.04 0.00 0.01 0.00 0.00 72.50 71.70 1qo6 s THR 30 CO 0.20 0.01 0.91 0.00 -0.69 0.00 0.00 174.62 175.06 1qo6 n LEU 32 N 7.28 0.00 0.00 0.00 -0.00 -1.17 -1.55 117.00 121.57 1qo6 n LEU 32 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 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 0.63 0.00 -0.00 0.61 -0.00 0.00 0.00 177.39 178.63 1qo6 n GLY 33 N 3.38 0.00 0.17 1.47 0.00 -1.26 -4.43 105.19 104.51 1qo6 n GLY 33 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.47 0.00 1.61 -1.07 -2.01 -3.48 115.58 111.11 1qo6 h ASN 34 Ca 0.00 -0.32 0.00 0.00 0.07 0.00 0.00 56.30 56.05 1qo6 h ASN 34 Cb 0.01 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 36.12 1qo6 h ASN 34 CO 0.00 1.07 0.00 0.61 0.07 0.00 0.00 177.43 179.18 1qo6 n GLY 35 N 0.61 1.73 2.93 9.14 0.00 -1.26 -5.15 105.19 113.19 1qo6 n GLY 35 Ca -0.04 0.27 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 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 1.89 -0.35 0.09 1.61 1.01 -1.26 -3.03 120.40 120.35 1qo6 s VAL 36 Ca 0.00 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1qo6 s VAL 36 Cb 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1qo6 s VAL 36 CO 0.00 0.11 0.03 -0.55 0.00 0.00 0.00 175.10 174.69 1qo6 s SER 37 N 2.37 5.21 0.12 3.32 0.15 0.10 -4.89 113.70 120.08 1qo6 s SER 37 Ca 0.02 -0.12 -0.10 0.00 0.70 0.00 0.00 55.95 56.45 1qo6 s SER 37 Cb -0.12 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 1qo6 s SER 37 CO -0.08 0.17 0.27 0.00 1.20 0.00 0.00 173.24 174.80 1qo6 s GLN 39 N -3.89 3.10 -0.13 0.00 -2.07 0.15 -4.93 119.66 111.89 1qo6 s GLN 39 Ca 0.09 -0.81 -0.29 0.00 -1.82 0.00 0.00 55.36 52.52 1qo6 s GLN 39 Cb 0.04 -2.51 -0.07 0.00 -1.09 0.00 0.00 33.01 29.38 1qo6 s GLN 39 CO -0.07 0.00 2.12 -0.85 -1.32 0.00 0.00 175.29 175.17 1qo6 n GLU 40 N 4.05 2.27 0.00 9.60 0.28 -1.26 -1.59 120.64 133.99 1qo6 n GLU 40 Ca -0.20 0.72 0.00 0.00 -0.16 0.00 0.00 57.16 57.53 1qo6 n GLU 40 Cb 0.52 -3.10 0.00 0.00 1.43 0.00 0.00 31.44 30.28 1qo6 n GLU 40 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1qo6 n THR 41 N 6.83 0.00 -0.88 3.84 -1.04 0.45 -4.62 114.28 118.86 1qo6 n THR 41 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1qo6 n THR 41 Cb 0.42 0.00 0.00 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 -1.75 -3.08 2.41 0.00 -1.20 -4.40 120.51 112.48 1qo6 n ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qo6 n ALA 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1qo6 n ALA 42 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1qo6 n VAL 43 N 0.34 0.00 -0.29 0.00 3.14 -1.26 -5.05 118.33 115.21 1qo6 n VAL 43 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1qo6 n VAL 43 Cb 0.00 -0.64 0.00 0.00 -1.06 0.00 0.00 33.84 32.14 1qo6 n VAL 43 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1qo6 n THR 44 N -0.46 0.00 -4.42 1.55 -2.24 -1.26 -4.93 114.28 102.52 1qo6 n THR 44 Ca 0.00 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 1qo6 n THR 44 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 1qo6 n THR 44 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1qo6 s GLN 45 N -1.87 2.03 -0.24 -0.78 -0.21 -1.26 -5.08 119.66 112.25 1qo6 s GLN 45 Ca 0.00 -1.93 -0.19 0.00 0.02 0.00 0.00 55.36 53.26 1qo6 s GLN 45 Cb 0.00 -1.80 0.07 0.00 1.00 0.00 0.00 33.01 32.27 1qo6 s GLN 45 CO 0.00 0.01 0.63 0.95 -2.12 0.00 0.00 175.29 174.76 1qo6 s THR 46 N -2.62 -0.00 0.06 -0.19 -4.23 -1.26 -4.51 115.64 102.89 1qo6 s THR 46 Ca 0.36 0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.84 1qo6 s THR 46 Cb 0.05 -0.89 -0.03 0.00 1.34 0.00 0.00 72.50 72.97 1qo6 s THR 46 CO 0.19 0.00 0.04 -0.72 -0.54 0.00 0.00 174.62 173.59 1qo6 s TYR 47 N 0.74 0.41 0.00 3.99 -0.85 -1.25 -4.43 117.35 115.96 1qo6 s TYR 47 Ca -0.03 -0.92 0.00 0.00 -0.52 0.00 0.00 57.07 55.60 1qo6 s TYR 47 Cb -0.05 -0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.00 1qo6 s TYR 47 CO -0.05 -0.43 0.00 0.41 -1.52 0.00 0.00 175.55 173.95 1qo6 n GLY 48 N 0.05 1.51 7.00 5.49 0.00 -1.19 -3.36 105.19 114.69 1qo6 n GLY 48 Ca -0.14 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 3.32 0.00 -0.02 0.00 -1.26 0.83 105.19 108.06 1qo6 n GLY 49 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1qo6 n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qo6 n ASN 50 N 9.03 4.74 -0.61 1.61 4.05 -0.58 -4.65 115.26 128.84 1qo6 n ASN 50 Ca 0.00 0.00 0.06 0.00 0.45 0.00 0.00 54.58 55.09 1qo6 n ASN 50 Cb 0.00 0.88 0.11 0.00 1.23 0.00 0.00 39.78 42.00 1qo6 n ASN 50 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1qo6 n SER 51 N -1.70 2.55 0.00 1.20 7.64 -1.04 -4.83 113.62 117.43 1qo6 n SER 51 Ca -0.01 -1.76 0.00 0.00 1.01 0.00 0.00 58.87 58.11 1qo6 n SER 51 Cb 0.20 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1qo6 n SER 51 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1qo6 n ASN 52 N 0.67 -3.82 0.00 6.43 5.15 0.24 -3.68 115.26 120.26 1qo6 n ASN 52 Ca 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 1qo6 n ASN 52 Cb 0.38 -2.26 0.00 0.00 -0.53 0.00 0.00 39.78 37.38 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 -0.77 0.64 3.94 8.20 0.00 -1.04 -3.15 105.19 113.01 1qo6 n GLY 53 Ca 0.00 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.41 2.88 -0.33 1.61 0.41 -1.24 -4.84 118.70 116.78 1qo6 s GLU 54 Ca 0.00 -0.35 -0.29 0.00 -0.41 0.00 0.00 54.97 53.93 1qo6 s GLU 54 Cb 0.00 -2.42 -0.01 0.00 -1.78 0.00 0.00 34.13 29.91 1qo6 s GLU 54 CO 0.00 -0.54 1.72 -1.25 -0.49 0.00 0.00 175.26 174.69 1qo6 s PRO 55 N -4.78 3.43 0.88 0.39 0.04 -1.26 -4.86 135.00 128.84 1qo6 s PRO 55 Ca 0.52 1.39 -0.10 0.00 0.04 0.00 0.00 61.00 62.86 1qo6 s PRO 55 Cb -0.10 -4.15 0.14 0.00 0.04 0.00 0.00 34.50 30.42 1qo6 s PRO 55 CO 0.41 -1.74 0.28 0.00 0.04 0.00 0.00 177.00 175.99 1qo6 n VAL 57 N -4.06 0.77 -3.24 0.00 3.14 0.63 -4.71 118.33 110.86 1qo6 n VAL 57 Ca 0.05 -2.63 -0.26 0.00 -2.96 0.00 0.00 64.34 58.53 1qo6 n VAL 57 Cb 0.24 0.82 -0.02 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 -3.24 3.97 0.25 6.55 -0.00 -1.26 -3.91 118.68 121.04 1qo6 s LEU 58 Ca 0.25 0.62 -0.30 0.00 -0.00 0.00 0.00 54.13 54.71 1qo6 s LEU 58 Cb 0.43 -3.48 -0.09 0.00 -0.00 0.00 0.00 46.19 43.05 1qo6 s LEU 58 CO -0.00 -0.31 1.24 -2.84 -0.00 0.00 0.00 176.35 174.44 1qo6 s PRO 59 N -4.11 4.46 0.51 1.48 0.02 -1.26 -5.00 135.00 131.10 1qo6 s PRO 59 Ca 0.43 2.01 0.01 0.00 0.02 0.00 0.00 61.00 63.46 1qo6 s PRO 59 Cb -0.10 -3.17 -0.00 0.00 0.02 0.00 0.00 34.50 31.25 1qo6 s PRO 59 CO 0.35 -0.09 0.03 1.97 -0.33 0.00 0.00 177.00 178.93 1qo6 n PHE 60 N 1.73 1.05 -4.33 6.54 1.16 -1.00 -4.92 117.46 117.70 1qo6 n PHE 60 Ca 0.02 -2.63 -0.27 0.00 -1.87 0.00 0.00 57.45 52.70 1qo6 n PHE 60 Cb 0.43 -0.29 -0.17 0.00 -1.61 0.00 0.00 39.48 37.84 1qo6 n PHE 60 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1qo6 s THR 61 N -2.95 1.33 -0.05 1.97 2.01 -1.26 -2.23 115.64 114.47 1qo6 s THR 61 Ca 0.04 -0.53 -0.02 0.00 0.31 0.00 0.00 61.69 61.48 1qo6 s THR 61 Cb 0.00 -1.24 0.04 0.00 0.01 0.00 0.00 72.50 71.30 1qo6 s THR 61 CO 0.03 0.41 0.10 -0.47 -0.69 0.00 0.00 174.62 174.00 1qo6 s TYR 62 N 1.12 -0.09 0.00 4.92 5.04 -0.83 -4.80 117.35 122.70 1qo6 s TYR 62 Ca -0.05 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 1qo6 s TYR 62 Cb -0.14 -0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.03 1qo6 s TYR 62 CO -0.03 -0.14 0.00 0.09 -1.34 0.00 0.00 175.55 174.13 1qo6 n ASN 63 N 4.19 -3.06 0.00 4.32 3.02 -1.26 -1.87 115.26 120.59 1qo6 n ASN 63 Ca -0.27 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 1qo6 n ASN 63 Cb 0.51 -1.90 0.00 0.00 -0.61 0.00 0.00 39.78 37.78 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 -1.20 0.45 0.00 7.41 0.00 -1.26 -5.08 105.19 105.51 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 -1.48 1.64 -3.91 1.61 0.00 -0.78 -5.09 116.66 108.65 1qo6 n ARG 65 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.74 1qo6 n ARG 65 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 32.46 32.34 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 0.86 0.06 -0.03 8.89 2.01 -1.26 -1.97 115.64 124.20 1qo6 s THR 66 Ca 0.00 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.53 1qo6 s THR 66 Cb 0.00 -0.22 0.01 0.00 0.01 0.00 0.00 72.50 72.30 1qo6 s THR 66 CO 0.00 -0.27 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.23 1qo6 s PHE 67 N -0.82 0.82 -2.33 4.92 0.40 -0.95 -4.96 117.98 115.06 1qo6 s PHE 67 Ca -0.09 -0.21 0.27 0.00 -0.60 0.00 0.00 56.93 56.30 1qo6 s PHE 67 Cb -0.06 -0.62 1.19 0.00 0.51 0.00 0.00 43.02 44.05 1qo6 s PHE 67 CO -0.00 -0.12 1.82 0.66 0.70 0.00 0.00 175.22 178.28 1qo6 n TYR 68 N 3.50 0.03 -2.65 0.36 4.01 -1.26 -2.36 117.16 118.78 1qo6 n TYR 68 Ca -0.20 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1qo6 n TYR 68 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 1qo6 n TYR 68 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1qo6 n SER 69 N -0.11 0.00 -4.71 7.72 2.88 -1.26 -4.74 113.62 113.41 1qo6 n SER 69 Ca 0.19 -0.20 -0.31 0.00 -1.33 0.00 0.00 58.87 57.22 1qo6 n SER 69 Cb 0.28 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.88 1qo6 n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qo6 s THR 71 N -2.73 0.00 -0.47 0.00 -1.32 0.19 -4.80 115.64 106.51 1qo6 s THR 71 Ca 0.65 -0.69 0.04 0.00 -1.21 0.00 0.00 61.69 60.48 1qo6 s THR 71 Cb -0.21 -2.99 0.17 0.00 -1.51 0.00 0.00 72.50 67.97 1qo6 s THR 71 CO 0.57 0.00 0.38 0.35 -2.21 0.00 0.00 174.62 173.71 1qo6 n THR 72 N -0.68 -0.61 -0.33 5.08 -2.24 -1.26 0.37 114.28 114.62 1qo6 n THR 72 Ca -0.04 -3.75 0.00 0.00 -2.27 0.00 0.00 64.05 57.99 1qo6 n THR 72 Cb 0.59 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 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 2.60 1.81 -0.14 -0.78 -0.58 -1.26 -4.72 120.64 117.56 1qo6 n GLU 73 Ca 0.28 -1.11 0.02 0.00 -0.42 0.00 0.00 57.16 55.93 1qo6 n GLU 73 Cb 0.46 -0.83 0.03 0.00 -0.57 0.00 0.00 31.44 30.52 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 -0.31 1.13 3.55 0.62 0.00 -1.26 -5.07 105.19 103.85 1qo6 n GLY 74 Ca 0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.89 1.95 0.00 1.61 3.03 -1.26 -5.06 118.95 118.33 1qo6 s ARG 75 Ca 0.07 -2.19 0.03 0.00 2.03 0.00 0.00 55.73 55.67 1qo6 s ARG 75 Cb 0.06 -0.81 0.03 0.00 -1.03 0.00 0.00 34.95 33.20 1qo6 s ARG 75 CO 0.01 -0.42 0.62 0.00 -1.13 0.00 0.00 175.30 174.37 1qo6 n GLN 76 N -0.95 -0.37 0.00 3.89 -0.00 -1.26 -4.84 117.38 113.85 1qo6 n GLN 76 Ca -0.08 -0.73 0.00 0.00 -0.00 0.00 0.00 57.00 56.19 1qo6 n GLN 76 Cb 0.65 -1.05 0.00 0.00 -0.00 0.00 0.00 30.24 29.84 1qo6 n GLN 76 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1qo6 n ASP 77 N 0.12 0.00 0.00 2.61 2.03 -1.26 -5.08 116.55 114.98 1qo6 n ASP 77 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1qo6 n ASP 77 Cb 0.08 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 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 2.41 0.00 3.61 0.27 0.00 -1.26 -5.14 105.19 105.08 1qo6 n GLY 78 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.25 0.50 1.61 3.76 -1.26 -5.01 115.29 118.15 1qo6 s HIS 79 Ca 0.00 0.13 -0.23 0.00 -0.15 0.00 0.00 55.06 54.81 1qo6 s HIS 79 Cb 0.00 -2.31 -0.06 0.00 1.11 0.00 0.00 32.58 31.32 1qo6 s HIS 79 CO 0.00 -0.06 1.33 -0.51 -0.85 0.00 0.00 174.74 174.65 1qo6 s LEU 80 N 1.39 3.95 0.25 0.89 1.02 -1.25 -4.56 118.68 120.35 1qo6 s LEU 80 Ca 0.07 2.70 -0.12 0.00 0.02 0.00 0.00 54.13 56.80 1qo6 s LEU 80 Cb -0.15 -4.18 -0.01 0.00 0.02 0.00 0.00 46.19 41.87 1qo6 s LEU 80 CO 0.07 -1.34 0.46 -1.66 0.02 0.00 0.00 176.35 173.90 1qo6 s TRP 81 N -1.32 0.42 0.30 0.29 1.48 0.16 0.84 118.94 121.10 1qo6 s TRP 81 Ca 0.67 -0.78 -0.01 0.00 -1.06 0.00 0.00 56.10 54.93 1qo6 s TRP 81 Cb -0.39 0.14 0.00 0.00 -1.16 0.00 0.00 33.47 32.07 1qo6 s TRP 81 CO 0.47 -0.98 0.40 0.00 -4.06 0.00 0.00 176.95 172.78 1qo6 s SER 83 N -2.85 3.89 0.00 0.00 1.04 -1.26 -1.15 113.70 113.37 1qo6 s SER 83 Ca 0.25 -0.58 0.16 0.00 0.48 0.00 0.00 55.95 56.26 1qo6 s SER 83 Cb -0.01 -1.63 0.80 0.00 0.10 0.00 0.00 66.02 65.28 1qo6 s SER 83 CO 0.18 -0.03 1.44 0.35 0.98 0.00 0.00 173.24 176.16 1qo6 n THR 84 N 4.71 0.53 -3.67 2.02 -2.24 -1.02 0.23 114.28 114.84 1qo6 n THR 84 Ca -0.19 0.13 -0.11 0.00 -2.27 0.00 0.00 64.05 61.62 1qo6 n THR 84 Cb 0.50 -0.87 -0.05 0.00 -2.10 0.00 0.00 70.33 67.80 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 -2.55 0.08 0.10 4.28 -1.32 -1.26 -4.54 115.64 110.42 1qo6 s THR 85 Ca 0.15 -0.64 -0.32 0.00 -1.21 0.00 0.00 61.69 59.66 1qo6 s THR 85 Cb 0.11 -1.15 -0.13 0.00 -1.51 0.00 0.00 72.50 69.82 1qo6 s THR 85 CO 0.24 -0.36 1.59 0.77 -2.21 0.00 0.00 174.62 174.65 1qo6 h SER 86 N 2.55 -1.22 -0.98 8.08 4.64 -1.85 -3.32 113.55 121.45 1qo6 h SER 86 Ca -0.33 0.12 -0.52 0.00 -0.47 0.00 0.00 61.79 60.58 1qo6 h SER 86 Cb 1.24 0.43 -0.08 0.00 -0.31 0.00 0.00 62.40 63.68 1qo6 h SER 86 CO 0.48 -0.54 1.36 0.21 -0.87 0.00 0.00 176.83 177.46 1qo6 s ASN 87 N -4.59 6.16 0.07 4.97 3.84 -1.26 -4.73 114.94 119.40 1qo6 s ASN 87 Ca -0.17 -1.35 0.03 0.00 0.21 0.00 0.00 52.86 51.59 1qo6 s ASN 87 Cb 0.06 -2.57 -0.24 0.00 -0.55 0.00 0.00 41.25 37.95 1qo6 s ASN 87 CO 0.62 -1.83 1.11 0.22 -2.79 0.00 0.00 177.10 174.44 1qo6 h TYR 88 N 9.98 0.19 -0.02 0.43 3.20 -1.89 -2.07 116.97 126.80 1qo6 h TYR 88 Ca 0.20 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1qo6 h TYR 88 Cb 1.00 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1qo6 h TYR 88 CO 1.27 1.13 0.00 0.39 -1.64 0.00 0.00 178.16 179.31 1qo6 n GLU 89 N -3.37 1.06 0.00 1.82 1.02 -1.26 -1.69 120.64 118.22 1qo6 n GLU 89 Ca -0.07 -0.09 -0.01 0.00 -0.02 0.00 0.00 57.16 56.97 1qo6 n GLU 89 Cb 0.99 -1.25 -0.00 0.00 -0.02 0.00 0.00 31.44 31.16 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 -0.65 0.01 0.12 3.49 -0.06 -1.21 -4.77 117.38 114.31 1qo6 n GLN 90 Ca 0.12 0.01 -0.01 0.00 -2.00 0.00 0.00 57.00 55.12 1qo6 n GLN 90 Cb 0.08 -0.52 0.01 0.00 -4.06 0.00 0.00 30.24 25.75 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 -0.02 0.00 -5.94 1.69 5.19 -1.49 -3.48 116.42 112.37 1qo6 h ASP 91 Ca -0.01 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 56.00 1qo6 h ASP 91 Cb 0.92 0.00 0.09 0.00 0.18 0.00 0.00 39.33 40.52 1qo6 h ASP 91 CO -0.01 0.68 -0.79 0.00 -3.12 0.00 0.00 179.24 176.00 1qo6 n GLN 92 N -3.34 -5.88 -3.83 3.56 1.13 -0.68 -4.98 117.38 103.36 1qo6 n GLN 92 Ca 0.01 0.72 -0.29 0.00 -1.94 0.00 0.00 57.00 55.49 1qo6 n GLN 92 Cb 0.78 -5.52 -0.16 0.00 0.11 0.00 0.00 30.24 25.45 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 -5.87 1.08 0.20 -1.09 0.00 -1.26 -5.01 119.74 107.80 1qo6 s LYS 93 Ca 0.13 -0.82 0.09 0.00 0.00 0.00 0.00 55.97 55.37 1qo6 s LYS 93 Cb -0.06 -2.32 -0.05 0.00 0.00 0.00 0.00 37.83 35.40 1qo6 s LYS 93 CO 0.78 -0.69 -0.17 1.52 0.00 0.00 0.00 175.35 176.78 1qo6 s TYR 94 N 1.60 1.85 -0.06 1.78 -0.85 -1.26 -2.42 117.35 117.98 1qo6 s TYR 94 Ca -0.01 -0.49 0.04 0.00 -0.52 0.00 0.00 57.07 56.09 1qo6 s TYR 94 Cb -0.18 -0.87 0.00 0.00 0.38 0.00 0.00 41.96 41.29 1qo6 s TYR 94 CO -0.10 0.40 -0.18 -1.12 -1.52 0.00 0.00 175.55 173.03 1qo6 s SER 95 N -3.08 2.33 1.25 -0.18 0.01 -0.30 -1.53 113.70 112.20 1qo6 s SER 95 Ca 0.21 -0.39 -0.16 0.00 1.31 0.00 0.00 55.95 56.92 1qo6 s SER 95 Cb -0.03 -0.81 0.24 0.00 0.21 0.00 0.00 66.02 65.62 1qo6 s SER 95 CO 0.08 0.14 0.70 0.49 0.41 0.00 0.00 173.24 175.06 1qo6 n PHE 96 N 3.34 -3.48 -3.69 2.43 3.72 -1.21 0.12 117.46 118.69 1qo6 n PHE 96 Ca -0.19 -0.65 -0.10 0.00 -0.05 0.00 0.00 57.45 56.46 1qo6 n PHE 96 Cb 0.53 -0.84 -0.10 0.00 -0.94 0.00 0.00 39.48 38.12 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 -1.26 -3.93 114.28 110.89 1qo6 n THR 98 Ca -0.21 1.24 0.00 0.00 -2.27 0.00 0.00 64.05 62.81 1qo6 n THR 98 Cb 0.56 -2.05 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 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 -1.50 0.00 -4.39 3.42 2.03 -1.26 -4.83 116.55 110.02 1qo6 n ASP 99 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 1qo6 n ASP 99 Cb 0.00 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 40.48 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 -1.56 0.49 -0.67 8.25 -1.26 -5.15 115.22 115.32 1qo6 n HIS 100 Ca 0.00 0.27 0.06 0.00 -0.26 0.00 0.00 57.72 57.79 1qo6 n HIS 100 Cb 0.00 -1.81 0.05 0.00 1.12 0.00 0.00 29.99 29.35 1qo6 n HIS 100 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61