#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qar s ILE 16 N 0.00 4.32 -0.35 -1.33 1.01 -1.26 -5.06 121.20 118.53 2qar s ILE 16 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 2qar s ILE 16 Cb 0.00 -3.21 0.08 0.00 0.01 0.00 0.00 42.46 39.35 2qar s ILE 16 CO 0.00 0.08 0.09 -0.13 0.00 0.00 0.00 174.94 174.98 2qar s ARG 17 N 1.57 2.08 0.71 2.79 1.81 -1.26 -5.11 118.95 121.53 2qar s ARG 17 Ca 0.04 -1.61 -0.14 0.00 -1.72 0.00 0.00 55.73 52.30 2qar s ARG 17 Cb -0.17 -3.34 0.03 0.00 -0.45 0.00 0.00 34.95 31.02 2qar s ARG 17 CO 0.04 -0.86 1.13 -0.51 -0.68 0.00 0.00 175.30 174.42 2qar s LEU 18 N 1.14 3.28 0.30 2.53 1.43 -1.26 -4.99 118.68 121.11 2qar s LEU 18 Ca 0.03 2.06 -0.29 0.00 -1.03 0.00 0.00 54.13 54.89 2qar s LEU 18 Cb -0.21 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.33 2qar s LEU 18 CO -0.04 -1.93 1.42 -2.65 0.23 0.00 0.00 176.35 173.39 2qar n PRO 19 N -2.78 2.30 -0.01 1.29 -0.02 -1.26 -4.87 135.00 129.65 2qar n PRO 19 Ca 0.11 0.81 0.21 0.00 -2.02 0.00 0.00 63.50 62.62 2qar n PRO 19 Cb 0.52 -2.48 0.71 0.00 -0.02 0.00 0.00 33.50 32.22 2qar n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qar h ALA 20 N 3.61 2.48 0.00 3.55 0.00 -2.02 0.22 119.26 127.12 2qar h ALA 20 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qar h ALA 20 Cb 1.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2qar h ALA 20 CO 0.70 -0.71 0.00 -2.39 0.00 0.00 0.00 179.25 176.85 2qar n HIS 21 N -4.26 0.00 0.01 0.00 1.44 -1.26 -3.06 115.22 108.09 2qar n HIS 21 Ca 0.10 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.89 2qar n HIS 21 Cb 0.65 -0.45 0.17 0.00 0.12 0.00 0.00 29.99 30.48 2qar n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2qar n LEU 22 N -1.45 2.97 -0.04 2.39 4.77 0.78 -4.60 117.00 121.83 2qar n LEU 22 Ca 0.07 -1.72 0.00 0.00 -0.03 0.00 0.00 56.01 54.34 2qar n LEU 22 Cb 0.25 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2qar n LEU 22 CO 0.21 0.70 0.46 0.54 -1.33 0.00 0.00 177.39 177.97 2qar n ARG 23 N 0.87 0.96 -2.60 3.23 1.74 -1.17 -4.78 116.66 114.91 2qar n ARG 23 Ca 0.14 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.94 2qar n ARG 23 Cb 0.46 -1.04 -0.00 0.00 -1.02 0.00 0.00 32.46 30.86 2qar n ARG 23 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2qar s LEU 24 N -0.92 3.61 0.16 0.55 2.96 -1.26 -5.01 118.68 118.77 2qar s LEU 24 Ca 0.00 0.97 -0.32 0.00 -0.22 0.00 0.00 54.13 54.57 2qar s LEU 24 Cb 0.00 -3.93 -0.12 0.00 0.50 0.00 0.00 46.19 42.64 2qar s LEU 24 CO 0.00 -0.59 1.77 0.00 -1.32 0.00 0.00 176.35 176.22 2qar n GLN 25 N -2.23 2.75 -0.02 1.98 6.02 -1.26 -4.85 117.38 119.77 2qar n GLN 25 Ca 0.01 1.00 0.23 0.00 -0.01 0.00 0.00 57.00 58.23 2qar n GLN 25 Cb 0.55 -2.86 0.65 0.00 1.02 0.00 0.00 30.24 29.59 2qar n GLN 25 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2qar h PRO 26 N 7.57 0.00 0.00 -1.09 0.11 -1.94 0.12 132.00 136.77 2qar h PRO 26 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qar h PRO 26 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qar h PRO 26 CO 0.95 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.71 2qar h ILE 27 N 0.00 0.00 -0.02 4.15 2.10 -1.89 -1.55 117.51 120.30 2qar h ILE 27 Ca 0.30 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.99 2qar h ILE 27 Cb 1.73 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 38.62 2qar h ILE 27 CO -0.00 0.00 -0.27 -1.22 -1.08 0.00 0.00 178.15 175.58 2qar n TYR 28 N -2.89 0.00 -1.88 2.19 4.02 0.42 -3.94 117.16 115.09 2qar n TYR 28 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 2qar n TYR 28 Cb 0.19 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.46 2qar n TYR 28 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2qar s TRP 29 N -2.30 3.00 1.15 -0.72 0.51 -0.58 -4.93 118.94 115.07 2qar s TRP 29 Ca 0.24 0.59 -0.19 0.00 -2.12 0.00 0.00 56.10 54.62 2qar s TRP 29 Cb 0.19 -3.98 0.27 0.00 -0.81 0.00 0.00 33.47 29.13 2qar s TRP 29 CO 0.47 -3.61 1.16 -1.54 -0.51 0.00 0.00 176.95 172.91 2qar s SER 30 N 1.05 1.40 0.21 2.95 1.04 -1.26 -1.02 113.70 118.07 2qar s SER 30 Ca 0.70 0.54 -0.06 0.00 0.48 0.00 0.00 55.95 57.60 2qar s SER 30 Cb -0.45 -0.73 0.17 0.00 0.10 0.00 0.00 66.02 65.11 2qar s SER 30 CO 0.33 -3.82 1.70 -0.09 0.98 0.00 0.00 173.24 172.35 2qar h ARG 31 N -2.38 1.01 -0.42 4.02 2.43 -1.91 -2.63 114.38 114.50 2qar h ARG 31 Ca -0.45 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 58.42 2qar h ARG 31 Cb 1.28 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 2qar h ARG 31 CO 0.35 0.96 0.16 -0.44 -1.51 0.00 0.00 179.97 179.48 2qar h ASP 32 N 0.94 0.60 -0.68 -3.80 3.32 -1.93 -2.22 116.42 112.64 2qar h ASP 32 Ca 0.18 -0.18 0.10 0.00 0.02 0.00 0.00 57.03 57.15 2qar h ASP 32 Cb 0.47 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 39.79 2qar h ASP 32 CO 0.02 0.62 0.30 0.44 -1.72 0.00 0.00 179.24 178.90 2qar h ASP 33 N 0.54 0.34 -0.55 6.45 3.32 -1.89 0.33 116.42 124.96 2qar h ASP 33 Ca 0.14 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.30 2qar h ASP 33 Cb 0.22 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 2qar h ASP 33 CO -0.01 0.19 0.33 0.58 -1.72 0.00 0.00 179.24 178.60 2qar h VAL 34 N 0.50 1.04 -0.53 -1.35 2.07 -1.25 -0.38 116.25 116.35 2qar h VAL 34 Ca 0.34 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.56 2qar h VAL 34 Cb 0.41 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2qar h VAL 34 CO -0.30 0.12 0.01 0.00 0.02 0.00 0.00 177.57 177.41 2qar h ALA 35 N 1.26 1.02 -0.13 1.67 0.00 -0.67 -2.26 119.26 120.15 2qar h ALA 35 Ca 0.23 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2qar h ALA 35 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2qar h ALA 35 CO -0.11 0.61 -0.42 1.96 0.00 0.00 0.00 179.25 181.28 2qar h GLN 36 N 0.82 0.31 -0.68 0.00 1.08 -0.65 -2.46 115.11 113.53 2qar h GLN 36 Ca 0.16 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2qar h GLN 36 Cb 0.48 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 2qar h GLN 36 CO 0.02 0.68 0.39 2.35 -0.95 0.00 0.00 178.83 181.33 2qar h TRP 37 N 0.26 0.90 -0.23 2.96 7.01 -0.61 -1.35 115.95 124.89 2qar h TRP 37 Ca 0.02 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.95 2qar h TRP 37 Cb 0.86 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.62 2qar h TRP 37 CO 0.02 0.63 -0.11 -0.07 -2.79 0.00 0.00 178.44 176.12 2qar h LEU 38 N 0.92 0.49 -0.23 0.65 3.38 -1.28 -0.02 115.31 119.22 2qar h LEU 38 Ca 0.24 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.82 2qar h LEU 38 Cb -0.00 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2qar h LEU 38 CO -0.04 0.79 0.12 0.50 0.09 0.00 0.00 178.44 179.89 2qar h LYS 39 N 0.19 0.24 -0.54 1.13 3.64 -1.37 0.09 116.57 119.94 2qar h LYS 39 Ca 0.05 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2qar h LYS 39 Cb 0.60 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2qar h LYS 39 CO 0.03 0.16 0.34 2.35 -2.27 0.00 0.00 179.45 180.06 2qar h TRP 40 N 0.25 0.64 -0.71 1.91 7.01 -1.21 -2.91 115.95 120.93 2qar h TRP 40 Ca 0.09 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.06 2qar h TRP 40 Cb 0.02 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.83 2qar h TRP 40 CO -0.09 0.38 0.25 0.00 -2.79 0.00 0.00 178.44 176.19 2qar h ALA 41 N 1.22 0.92 -0.02 2.65 0.00 -0.64 -0.20 119.26 123.20 2qar h ALA 41 Ca 0.21 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2qar h ALA 41 Cb -0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 2qar h ALA 41 CO -0.07 0.58 -0.24 1.49 0.00 0.00 0.00 179.25 181.00 2qar h GLU 42 N 1.03 -0.36 -0.25 0.00 4.81 -0.84 0.03 114.58 119.00 2qar h GLU 42 Ca 0.23 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.36 2qar h GLU 42 Cb 0.26 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2qar h GLU 42 CO -0.01 -0.24 -0.34 -0.91 -0.73 0.00 0.00 179.01 176.78 2qar h ASN 43 N -0.37 0.74 -0.37 1.04 2.35 -1.42 -0.17 115.58 117.37 2qar h ASN 43 Ca 0.07 -0.50 -0.03 0.00 -0.55 0.00 0.00 56.30 55.28 2qar h ASN 43 Cb 0.46 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 2qar h ASN 43 CO -0.23 1.10 0.13 -0.08 -1.65 0.00 0.00 177.43 176.69 2qar h GLU 44 N 0.40 0.64 -0.29 0.81 4.57 -0.91 -3.09 114.58 116.71 2qar h GLU 44 Ca 0.03 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2qar h GLU 44 Cb 0.92 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 2qar h GLU 44 CO 0.08 0.57 0.00 1.19 -1.18 0.00 0.00 179.01 179.67 2qar n PHE 45 N -4.33 0.46 -3.97 0.92 3.01 -0.01 -4.99 117.46 108.54 2qar n PHE 45 Ca 0.03 -0.56 -0.27 0.00 1.01 0.00 0.00 57.45 57.66 2qar n PHE 45 Cb 0.18 -0.07 -0.02 0.00 -0.01 0.00 0.00 39.48 39.57 2qar n PHE 45 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2qar n SER 46 N 0.21 -0.94 -4.93 4.37 7.64 -0.36 -4.95 113.62 114.67 2qar n SER 46 Ca 0.11 -0.99 -0.25 0.00 1.01 0.00 0.00 58.87 58.76 2qar n SER 46 Cb 0.47 -3.12 0.00 0.00 -1.01 0.00 0.00 64.21 60.56 2qar n SER 46 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qar s LEU 47 N -7.00 3.70 0.48 -3.43 1.43 -0.22 -5.04 118.68 108.59 2qar s LEU 47 Ca 0.13 0.62 -0.24 0.00 -1.03 0.00 0.00 54.13 53.60 2qar s LEU 47 Cb -0.07 -3.51 -0.07 0.00 0.03 0.00 0.00 46.19 42.57 2qar s LEU 47 CO 0.89 -0.58 1.42 -0.44 0.23 0.00 0.00 176.35 177.86 2qar s SER 48 N -4.14 5.71 -0.12 2.29 0.01 -1.26 -4.84 113.70 111.35 2qar s SER 48 Ca 0.46 2.89 -0.40 0.00 1.31 0.00 0.00 55.95 60.22 2qar s SER 48 Cb -0.10 -2.65 -0.18 0.00 0.21 0.00 0.00 66.02 63.30 2qar s SER 48 CO 0.41 -1.29 1.43 -2.65 0.41 0.00 0.00 173.24 171.55 2qar n PRO 49 N -0.41 0.73 -3.53 12.44 -0.02 -1.26 -4.94 135.00 138.01 2qar n PRO 49 Ca 0.06 0.27 -0.38 0.00 -2.02 0.00 0.00 63.50 61.43 2qar n PRO 49 Cb 0.42 -1.87 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 2qar n PRO 49 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qar s ILE 50 N 1.59 5.27 0.47 4.25 1.01 -1.26 -5.07 121.20 127.47 2qar s ILE 50 Ca 0.93 0.34 -0.24 0.00 0.00 0.00 0.00 60.65 61.67 2qar s ILE 50 Cb -1.13 -3.59 -0.07 0.00 0.01 0.00 0.00 42.46 37.68 2qar s ILE 50 CO 0.59 0.25 1.37 -0.62 0.00 0.00 0.00 174.94 176.53 2qar s ASP 51 N 1.48 5.79 0.46 3.58 -1.08 -1.26 -4.91 116.67 120.73 2qar s ASP 51 Ca 0.10 2.78 0.13 0.00 -0.52 0.00 0.00 52.55 55.05 2qar s ASP 51 Cb -0.15 -2.64 1.06 0.00 -1.46 0.00 0.00 42.92 39.72 2qar s ASP 51 CO 0.09 -1.22 2.05 0.28 0.52 0.00 0.00 175.17 176.89 2qar h SER 52 N 2.11 0.09 -0.65 -0.34 0.02 -1.98 -2.94 113.55 109.86 2qar h SER 52 Ca -0.51 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.34 2qar h SER 52 Cb 1.27 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.73 2qar h SER 52 CO 0.60 0.16 0.12 0.59 -1.14 0.00 0.00 176.83 177.16 2qar n ASN 53 N -4.42 5.38 0.17 3.07 3.02 -1.26 -4.26 115.26 116.96 2qar n ASN 53 Ca -0.02 -3.06 0.06 0.00 -0.03 0.00 0.00 54.58 51.53 2qar n ASN 53 Cb 0.17 -0.71 0.11 0.00 -0.61 0.00 0.00 39.78 38.74 2qar n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2qar h THR 54 N 3.45 0.57 -2.09 3.41 1.35 -1.89 -3.36 112.91 114.33 2qar h THR 54 Ca 0.11 -1.74 -0.58 0.00 -0.55 0.00 0.00 66.41 63.66 2qar h THR 54 Cb 2.14 2.23 -0.40 0.00 -1.73 0.00 0.00 68.15 70.39 2qar h THR 54 CO 0.60 0.31 -0.92 0.49 -0.25 0.00 0.00 175.52 175.76 2qar n PHE 55 N -3.20 1.09 -2.40 4.73 3.01 -1.26 -4.95 117.46 114.48 2qar n PHE 55 Ca 0.02 -3.77 -0.43 0.00 1.01 0.00 0.00 57.45 54.28 2qar n PHE 55 Cb 0.64 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 2qar n PHE 55 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2qar n GLU 56 N 1.26 3.13 -3.54 -1.08 1.02 -1.26 -4.83 120.64 115.34 2qar n GLU 56 Ca 0.24 -3.16 -0.07 0.00 -0.02 0.00 0.00 57.16 54.16 2qar n GLU 56 Cb 0.48 -3.42 -0.02 0.00 -0.02 0.00 0.00 31.44 28.46 2qar n GLU 56 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qar s MET 57 N 3.77 0.61 0.95 3.49 0.23 -1.26 -5.12 119.30 121.97 2qar s MET 57 Ca 0.51 -0.18 -0.15 0.00 -1.03 0.00 0.00 55.69 54.84 2qar s MET 57 Cb 0.06 0.28 0.20 0.00 -1.53 0.00 0.00 34.83 33.84 2qar s MET 57 CO 0.03 -0.26 1.31 0.54 -2.03 0.00 0.00 175.02 174.61 2qar s ASN 58 N -2.19 3.17 0.30 -1.18 2.20 -1.26 -4.28 114.94 111.71 2qar s ASN 58 Ca 0.06 0.22 0.03 0.00 -0.94 0.00 0.00 52.86 52.23 2qar s ASN 58 Cb -0.01 -0.27 0.49 0.00 -2.00 0.00 0.00 41.25 39.46 2qar s ASN 58 CO -0.06 -2.69 1.79 1.23 -2.94 0.00 0.00 177.10 174.43 2qar h GLY 59 N -1.58 0.55 2.00 0.45 0.00 -1.21 -1.30 103.07 101.97 2qar h GLY 59 Ca -0.44 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.45 2qar h GLY 59 CO 0.38 0.36 -0.25 0.07 0.00 0.00 0.00 176.54 177.09 2qar h LYS 60 N 0.47 0.00 -0.00 4.80 2.10 -1.70 -1.67 116.57 120.57 2qar h LYS 60 Ca 0.08 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.70 2qar h LYS 60 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2qar h LYS 60 CO 0.03 0.25 -0.12 0.00 -2.00 0.00 0.00 179.45 177.61 2qar h ALA 61 N 1.75 0.01 -0.99 0.07 0.00 -1.84 -3.31 119.26 114.96 2qar h ALA 61 Ca -0.00 -0.43 0.25 0.00 0.00 0.00 0.00 54.91 54.73 2qar h ALA 61 Cb 0.75 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 2qar h ALA 61 CO 0.03 -0.01 0.66 1.25 0.00 0.00 0.00 179.25 181.18 2qar h LEU 62 N -0.66 0.30 -0.39 0.00 5.85 -0.96 -0.49 115.31 118.96 2qar h LEU 62 Ca -0.01 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2qar h LEU 62 Cb 0.90 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2qar h LEU 62 CO 0.02 0.09 0.00 -0.07 -0.34 0.00 0.00 178.44 178.14 2qar h LEU 63 N 0.28 0.00 0.00 2.25 3.38 -1.39 -2.97 115.31 116.85 2qar h LEU 63 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 2qar h LEU 63 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 2qar h LEU 63 CO -0.17 0.00 -0.25 -0.07 0.09 0.00 0.00 178.44 178.04 2qar h LEU 64 N 0.00 0.00 -9.93 1.67 3.38 -1.19 -3.46 115.31 105.78 2qar h LEU 64 Ca 0.00 -0.05 -0.50 0.00 0.09 0.00 0.00 57.88 57.42 2qar h LEU 64 Cb 0.70 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.49 2qar h LEU 64 CO 0.00 0.02 0.48 -0.76 0.09 0.00 0.00 178.44 178.27 2qar s LEU 65 N -4.99 4.21 0.63 1.67 1.43 -1.13 -5.06 118.68 115.44 2qar s LEU 65 Ca 0.08 2.26 -0.02 0.00 -1.03 0.00 0.00 54.13 55.41 2qar s LEU 65 Cb 0.10 -4.03 0.05 0.00 0.03 0.00 0.00 46.19 42.35 2qar s LEU 65 CO 0.66 -0.58 0.89 0.42 0.23 0.00 0.00 176.35 177.97 2qar s THR 66 N -1.45 2.47 0.35 5.49 -4.23 -1.26 -4.95 115.64 112.05 2qar s THR 66 Ca 0.56 -0.50 0.03 0.00 -1.18 0.00 0.00 61.69 60.61 2qar s THR 66 Cb -0.28 -2.97 0.21 0.00 1.34 0.00 0.00 72.50 70.80 2qar s THR 66 CO 0.36 0.00 1.94 0.50 -0.54 0.00 0.00 174.62 176.88 2qar h LYS 67 N -0.25 0.67 -0.50 3.99 3.64 -1.97 -1.56 116.57 120.60 2qar h LYS 67 Ca -0.43 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 2qar h LYS 67 Cb 1.30 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2qar h LYS 67 CO 0.54 0.54 0.20 0.93 -2.27 0.00 0.00 179.45 179.40 2qar h GLU 68 N 0.66 0.71 -0.41 1.90 3.07 -1.98 -1.45 114.58 117.08 2qar h GLU 68 Ca 0.16 -0.10 -0.11 0.00 -0.50 0.00 0.00 59.36 58.82 2qar h GLU 68 Cb 0.12 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 2qar h GLU 68 CO -0.02 0.58 -0.16 -0.44 -1.40 0.00 0.00 179.01 177.57 2qar h ASP 69 N 0.71 0.85 -0.85 1.42 3.32 -1.68 -1.26 116.42 118.93 2qar h ASP 69 Ca 0.17 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 2qar h ASP 69 Cb 0.13 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 2qar h ASP 69 CO -0.02 1.05 0.50 -0.26 -1.72 0.00 0.00 179.24 178.80 2qar h PHE 70 N 0.65 1.13 -0.38 4.55 -1.00 -1.11 -1.97 116.94 118.81 2qar h PHE 70 Ca 0.10 -0.01 -0.15 0.00 2.81 0.00 0.00 57.97 60.72 2qar h PHE 70 Cb 0.71 -0.37 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 2qar h PHE 70 CO 0.05 0.76 -0.34 0.00 -1.61 0.00 0.00 178.31 177.17 2qar h ARG 71 N 1.17 0.87 -0.67 1.51 3.08 -1.12 0.23 114.38 119.46 2qar h ARG 71 Ca 0.30 -0.43 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 2qar h ARG 71 Cb -0.03 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2qar h ARG 71 CO -0.06 1.07 0.21 -0.92 -1.07 0.00 0.00 179.97 179.21 2qar h TYR 72 N 0.72 1.07 -0.02 3.04 5.03 -1.12 -2.03 116.97 123.66 2qar h TYR 72 Ca 0.07 -0.11 -0.24 0.00 2.58 0.00 0.00 58.73 61.03 2qar h TYR 72 Cb 0.91 -0.31 0.02 0.00 1.55 0.00 0.00 36.73 38.90 2qar h TYR 72 CO 0.05 0.86 -0.94 0.00 -1.32 0.00 0.00 178.16 176.81 2qar h ARG 73 N 0.97 0.67 -2.83 1.82 3.08 -1.21 -3.40 114.38 113.49 2qar h ARG 73 Ca 0.22 -0.70 -0.61 0.00 0.07 0.00 0.00 59.98 58.96 2qar h ARG 73 Cb 0.29 0.19 -0.40 0.00 0.08 0.00 0.00 29.97 30.13 2qar h ARG 73 CO -0.01 1.29 -0.77 0.45 -1.07 0.00 0.00 179.97 179.86 2qar s SER 74 N -7.18 3.30 0.50 7.04 0.15 0.81 -4.97 113.70 113.34 2qar s SER 74 Ca -0.10 -2.92 0.22 0.00 0.70 0.00 0.00 55.95 53.84 2qar s SER 74 Cb 0.07 -0.96 1.28 0.00 -1.71 0.00 0.00 66.02 64.70 2qar s SER 74 CO 0.90 -0.21 1.99 -0.65 1.20 0.00 0.00 173.24 176.47 2qar h PRO 75 N 6.26 0.12 0.00 5.44 0.11 -1.59 0.47 132.00 142.81 2qar h PRO 75 Ca 0.09 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.99 2qar h PRO 75 Cb 0.89 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 2qar h PRO 75 CO 0.48 0.08 -1.14 0.45 -0.21 0.00 0.00 178.00 177.66 2qar h HIS 76 N 0.13 0.00 0.00 0.65 3.86 -1.94 -3.42 115.15 114.43 2qar h HIS 76 Ca 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 2qar h HIS 76 Cb 0.86 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.33 2qar h HIS 76 CO -0.00 0.85 0.00 0.43 0.86 0.00 0.00 177.93 180.07 2qar n SER 77 N -3.18 0.09 -0.19 2.45 7.64 -0.99 -4.90 113.62 114.53 2qar n SER 77 Ca -0.05 -0.76 -0.00 0.00 1.01 0.00 0.00 58.87 59.07 2qar n SER 77 Cb 0.92 0.03 0.09 0.00 -1.01 0.00 0.00 64.21 64.24 2qar n SER 77 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2qar h GLY 78 N 0.00 0.68 1.35 0.23 0.00 -0.23 -0.18 103.07 104.91 2qar h GLY 78 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 2qar h GLY 78 CO 0.00 -0.14 0.07 1.29 0.00 0.00 0.00 176.54 177.76 2qar h ASP 79 N 0.19 0.76 -0.19 0.19 -0.00 -1.85 0.40 116.42 115.92 2qar h ASP 79 Ca 0.30 -0.15 -0.02 0.00 -0.00 0.00 0.00 57.03 57.15 2qar h ASP 79 Cb 0.46 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 39.58 2qar h ASP 79 CO -0.43 0.78 0.03 0.58 -0.00 0.00 0.00 179.24 180.20 2qar h VAL 80 N 0.76 1.23 -0.82 4.15 2.07 -1.65 -1.08 116.25 120.90 2qar h VAL 80 Ca 0.16 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 2qar h VAL 80 Cb 0.36 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2qar h VAL 80 CO 0.01 0.23 0.49 -0.07 0.02 0.00 0.00 177.57 178.25 2qar h LEU 81 N 0.10 0.98 -0.34 2.57 3.38 -0.85 0.18 115.31 121.33 2qar h LEU 81 Ca 0.06 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2qar h LEU 81 Cb 0.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2qar h LEU 81 CO 0.00 0.76 0.09 0.22 0.09 0.00 0.00 178.44 179.60 2qar h TYR 82 N 1.12 0.57 0.00 1.13 3.20 -0.82 -1.50 116.97 120.68 2qar h TYR 82 Ca 0.29 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.98 2qar h TYR 82 Cb -0.04 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 2qar h TYR 82 CO -0.00 0.58 -0.53 0.93 -1.64 0.00 0.00 178.16 177.49 2qar h GLU 83 N 0.40 0.00 -0.18 1.82 4.39 -1.01 -1.74 114.58 118.26 2qar h GLU 83 Ca 0.11 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2qar h GLU 83 Cb 0.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2qar h GLU 83 CO 0.00 0.53 0.06 1.25 -1.16 0.00 0.00 179.01 179.69 2qar h LEU 84 N 0.00 0.27 -0.84 1.33 5.85 -0.86 -2.03 115.31 119.03 2qar h LEU 84 Ca -0.01 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.54 2qar h LEU 84 Cb 1.11 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 2qar h LEU 84 CO 0.07 0.40 0.54 0.25 -0.34 0.00 0.00 178.44 179.36 2qar h LEU 85 N 0.12 0.91 -1.03 2.25 5.85 -0.99 -0.48 115.31 121.96 2qar h LEU 85 Ca 0.06 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2qar h LEU 85 Cb 0.22 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2qar h LEU 85 CO -0.00 0.64 0.40 1.56 -0.34 0.00 0.00 178.44 180.70 2qar h GLN 86 N 1.07 1.09 -0.52 1.25 1.08 -1.22 0.06 115.11 117.92 2qar h GLN 86 Ca 0.33 -0.13 -0.11 0.00 -1.45 0.00 0.00 58.65 57.28 2qar h GLN 86 Cb -0.03 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.17 2qar h GLN 86 CO -0.10 0.81 -0.11 0.45 -0.95 0.00 0.00 178.83 178.93 2qar h HIS 87 N 1.09 1.11 -0.02 2.96 3.86 -0.72 -1.60 115.15 121.82 2qar h HIS 87 Ca 0.27 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2qar h HIS 87 Cb 0.06 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.26 2qar h HIS 87 CO 0.01 1.04 0.01 0.82 0.86 0.00 0.00 177.93 180.67 2qar h ILE 88 N 0.86 1.12 -0.92 2.45 2.04 -0.74 -2.36 117.51 119.95 2qar h ILE 88 Ca 0.13 -0.34 0.09 0.00 1.00 0.00 0.00 64.86 65.74 2qar h ILE 88 Cb 0.68 1.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.99 2qar h ILE 88 CO 0.05 0.09 0.57 -0.07 0.00 0.00 0.00 178.15 178.79 2qar h LEU 89 N -0.10 0.86 -0.29 1.44 3.38 -0.93 -1.92 115.31 117.75 2qar h LEU 89 Ca 0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2qar h LEU 89 Cb 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qar h LEU 89 CO -0.00 0.51 0.08 0.11 0.09 0.00 0.00 178.44 179.23 2qar h LYS 90 N 0.97 0.45 -0.24 1.13 1.57 -1.15 -0.91 116.57 118.40 2qar h LYS 90 Ca 0.43 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.98 2qar h LYS 90 Cb 0.32 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2qar h LYS 90 CO -0.22 0.51 -0.39 0.37 -0.57 0.00 0.00 179.45 179.15 2qar h GLN 91 N 0.30 0.55 -0.45 3.15 4.15 -1.13 -1.78 115.11 119.90 2qar h GLN 91 Ca 0.09 -0.27 -0.12 0.00 0.77 0.00 0.00 58.65 59.12 2qar h GLN 91 Cb 0.25 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2qar h GLN 91 CO -0.00 0.85 -0.19 0.00 -1.93 0.00 0.00 178.83 177.56 2qar h ARG 92 N 0.46 0.89 -0.63 1.69 2.47 -1.32 -2.25 114.38 115.70 2qar h ARG 92 Ca 0.04 -0.36 -0.03 0.00 -1.26 0.00 0.00 59.98 58.37 2qar h ARG 92 Cb 0.88 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.13 2qar h ARG 92 CO 0.08 1.01 0.27 -0.44 0.56 0.00 0.00 179.97 181.44 2qar h ASP 93 N 0.78 0.83 -0.34 7.04 5.19 -0.86 -0.90 116.42 128.17 2qar h ASP 93 Ca 0.11 -0.10 -0.10 0.00 -0.62 0.00 0.00 57.03 56.32 2qar h ASP 93 Cb 0.73 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 2qar h ASP 93 CO 0.06 0.73 -0.18 -0.07 -3.12 0.00 0.00 179.24 176.66 2qar h LEU 94 N 0.90 0.75 -1.37 1.55 3.38 -1.22 -2.59 115.31 116.71 2qar h LEU 94 Ca 0.22 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2qar h LEU 94 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2qar h LEU 94 CO -0.02 1.00 -0.05 -0.33 0.09 0.00 0.00 178.44 179.13 2qar h GLU 95 N 0.50 0.36 -0.36 1.13 5.08 -1.17 -1.35 114.58 118.78 2qar h GLU 95 Ca 0.07 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2qar h GLU 95 Cb 0.72 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2qar h GLU 95 CO 0.05 0.43 -0.28 0.00 -1.00 0.00 0.00 179.01 178.21 2qar h ALA 96 N 1.61 0.83 -0.00 3.43 0.00 -1.03 -1.87 119.26 122.22 2qar h ALA 96 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2qar h ALA 96 Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qar h ALA 96 CO 0.01 0.64 -0.35 -0.85 0.00 0.00 0.00 179.25 178.70 2qar n GLU 97 N -4.09 0.01 0.05 0.00 0.28 -0.99 -1.74 120.64 114.16 2qar n GLU 97 Ca -0.01 -0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.85 2qar n GLU 97 Cb 0.47 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.70 2qar n GLU 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2qar h ALA 98 N 3.01 0.35 0.00 -1.84 0.00 -1.11 -2.84 119.26 116.83 2qar h ALA 98 Ca 0.00 -1.13 -0.09 0.00 0.00 0.00 0.00 54.91 53.69 2qar h ALA 98 Cb 0.50 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2qar h ALA 98 CO 0.00 1.21 -0.45 0.00 0.00 0.00 0.00 179.25 180.01 2qar h ALA 99 N 0.62 0.73 0.01 0.00 0.00 -1.37 -3.17 119.26 116.08 2qar h ALA 99 Ca -0.22 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.18 2qar h ALA 99 Cb 1.98 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.71 2qar h ALA 99 CO 0.15 0.56 -0.42 0.00 0.00 0.00 0.00 179.25 179.54 2qar h ALA 100 N 1.55 0.04 0.00 0.00 0.00 -1.42 -2.57 119.26 116.85 2qar h ALA 100 Ca -0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 2qar h ALA 100 Cb 1.29 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2qar h ALA 100 CO 0.06 0.21 -0.30 0.00 0.00 0.00 0.00 179.25 179.22 2qar h ALA 101 N 0.26 1.38 0.16 0.00 0.00 -1.62 -2.59 119.26 116.85 2qar h ALA 101 Ca -0.06 -0.27 -0.30 0.00 0.00 0.00 0.00 54.91 54.28 2qar h ALA 101 Cb 1.18 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.93 2qar h ALA 101 CO 0.08 0.38 -1.39 1.49 0.00 0.00 0.00 179.25 179.80 2qar h GLU 102 N 0.00 0.35 -0.24 0.00 4.81 -1.63 -2.33 114.58 115.53 2qar h GLU 102 Ca -0.00 -0.59 -0.08 0.00 -0.13 0.00 0.00 59.36 58.55 2qar h GLU 102 Cb 0.57 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 2qar h GLU 102 CO 0.04 1.26 -0.20 0.00 -0.73 0.00 0.00 179.01 179.39 2qar h ALA 103 N 0.42 1.22 0.00 2.92 0.00 -1.35 -1.29 119.26 121.18 2qar h ALA 103 Ca -0.20 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 2qar h ALA 103 Cb 2.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 2qar h ALA 103 CO 0.21 0.51 -0.48 0.00 0.00 0.00 0.00 179.25 179.50 2qar h ALA 104 N 1.40 0.77 -0.22 0.00 0.00 -1.54 -1.88 119.26 117.79 2qar h ALA 104 Ca 0.07 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 2qar h ALA 104 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2qar h ALA 104 CO 0.04 0.59 -0.61 0.00 0.00 0.00 0.00 179.25 179.27 2qar h ALA 105 N 1.52 0.50 0.00 0.00 0.00 -0.80 -3.27 119.26 117.21 2qar h ALA 105 Ca -0.00 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 2qar h ALA 105 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2qar h ALA 105 CO 0.06 0.69 -0.20 -0.22 0.00 0.00 0.00 179.25 179.59 2qar h LYS 106 N 0.55 0.13 -0.01 0.00 3.64 -1.32 -3.51 116.57 116.06 2qar h LYS 106 Ca -0.00 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2qar h LYS 106 Cb 1.21 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2qar h LYS 106 CO 0.13 0.90 0.00 0.00 -2.27 0.00 0.00 179.45 178.20