#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qry n SER 2 N 0.00 -1.11 0.00 1.61 2.88 -1.26 -5.03 113.62 110.71 1qry n SER 2 Ca 0.00 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1qry n SER 2 Cb 0.00 1.37 0.00 0.00 -0.75 0.00 0.00 64.21 64.83 1qry n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qry n HIS 3 N -2.73 0.00 -1.64 0.66 -0.00 -1.26 -5.11 115.22 105.15 1qry n HIS 3 Ca 0.00 0.00 -0.65 0.00 -0.00 0.00 0.00 57.72 57.07 1qry n HIS 3 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 1qry n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1qry n MET 4 N 0.00 0.00 0.00 -1.40 3.85 -1.26 -4.75 117.12 113.56 1qry n MET 4 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.70 1qry n MET 4 Cb 0.00 -1.45 0.00 0.00 -1.05 0.00 0.00 33.22 30.72 1qry n MET 4 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1qry n SER 5 N 4.20 0.00 -4.36 3.17 2.88 -1.26 -5.13 113.62 113.12 1qry n SER 5 Ca 0.32 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.52 1qry n SER 5 Cb -0.06 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.27 1qry n SER 5 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1qry s ASP 6 N 1.94 4.38 0.00 -3.46 -4.77 -1.26 -4.60 116.67 108.91 1qry s ASP 6 Ca 0.00 -0.32 0.00 0.00 -3.30 0.00 0.00 52.55 48.93 1qry s ASP 6 Cb 0.00 -1.74 0.00 0.00 -1.09 0.00 0.00 42.92 40.09 1qry s ASP 6 CO 0.00 0.04 0.00 0.61 0.70 0.00 0.00 175.17 176.52 1qry n GLY 7 N 4.37 1.17 0.13 2.12 0.00 -1.26 -4.96 105.19 106.76 1qry n GLY 7 Ca -0.18 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.55 1qry n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qry h LEU 8 N 0.00 0.00 0.03 0.99 4.07 -1.96 -3.30 115.31 115.14 1qry h LEU 8 Ca 0.00 -0.05 -0.28 0.00 0.08 0.00 0.00 57.88 57.63 1qry h LEU 8 Cb 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 1qry h LEU 8 CO 0.00 0.02 -1.54 -0.65 -1.08 0.00 0.00 178.44 175.20 1qry h PRO 9 N 0.00 0.06 0.00 1.13 0.11 -1.95 -3.30 132.00 128.05 1qry h PRO 9 Ca 0.00 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1qry h PRO 9 Cb 0.85 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1qry h PRO 9 CO 0.00 0.77 -0.10 -0.97 -0.21 0.00 0.00 178.00 177.49 1qry h ASN 10 N 0.02 0.00 -3.43 -2.05 -0.73 -1.81 -3.40 115.58 104.18 1qry h ASN 10 Ca -0.22 0.00 -0.60 0.00 1.87 0.00 0.00 56.30 57.34 1qry h ASN 10 Cb 1.96 0.00 -0.10 0.00 0.27 0.00 0.00 38.32 40.44 1qry h ASN 10 CO 0.11 0.10 0.23 -0.75 -0.37 0.00 0.00 177.43 176.74 1qry s LYS 11 N -4.35 4.14 0.13 6.67 2.47 -1.24 -4.99 119.74 122.57 1qry s LYS 11 Ca -0.03 0.65 -0.34 0.00 -1.56 0.00 0.00 55.97 54.68 1qry s LYS 11 Cb 0.14 -3.64 -0.17 0.00 -1.46 0.00 0.00 37.83 32.70 1qry s LYS 11 CO 0.59 -0.42 1.15 0.36 0.16 0.00 0.00 175.35 177.19 1qry n LYS 12 N 5.70 0.92 -3.64 4.03 2.85 -1.26 -4.89 118.16 121.87 1qry n LYS 12 Ca 0.01 0.33 -0.36 0.00 -1.05 0.00 0.00 58.31 57.24 1qry n LYS 12 Cb 0.49 -1.83 -0.06 0.00 -0.65 0.00 0.00 35.03 32.97 1qry n LYS 12 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1qry s ARG 13 N -0.17 3.28 0.00 -1.58 6.06 -1.26 -4.73 118.95 120.54 1qry s ARG 13 Ca 0.78 -3.29 0.00 0.00 -2.50 0.00 0.00 55.73 50.71 1qry s ARG 13 Cb -0.94 -3.95 0.00 0.00 0.06 0.00 0.00 34.95 30.12 1qry s ARG 13 CO 0.52 -1.27 0.00 1.63 -2.50 0.00 0.00 175.30 173.68 1qry n LYS 14 N 2.31 -1.42 -1.09 5.12 5.02 -1.26 -4.71 118.16 122.13 1qry n LYS 14 Ca 0.22 0.13 -0.43 0.00 -2.02 0.00 0.00 58.31 56.21 1qry n LYS 14 Cb 0.37 -3.06 -0.06 0.00 -0.02 0.00 0.00 35.03 32.26 1qry n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qry n ARG 15 N 0.23 0.00 -0.51 1.97 5.12 -1.26 -4.83 116.66 117.39 1qry n ARG 15 Ca 0.00 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 1qry n ARG 15 Cb 0.13 -1.00 0.19 0.00 -1.16 0.00 0.00 32.46 30.61 1qry n ARG 15 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1qry n ARG 16 N 1.90 -2.61 -2.64 5.56 1.85 -1.26 -4.87 116.66 114.58 1qry n ARG 16 Ca 0.17 -0.77 -0.41 0.00 -1.00 0.00 0.00 57.85 55.84 1qry n ARG 16 Cb 0.00 -1.65 -0.04 0.00 -1.05 0.00 0.00 32.46 29.72 1qry n ARG 16 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1qry s VAL 17 N -2.14 4.38 0.00 8.89 0.11 -1.26 -5.02 120.40 125.36 1qry s VAL 17 Ca 0.49 1.89 0.00 0.00 -2.93 0.00 0.00 61.98 61.43 1qry s VAL 17 Cb -0.10 -4.21 0.00 0.00 -1.53 0.00 0.00 36.38 30.54 1qry s VAL 17 CO 0.48 0.25 0.00 0.18 -3.33 0.00 0.00 175.10 172.68 1qry n LEU 18 N 3.07 0.00 -3.63 2.54 4.77 -1.26 -5.15 117.00 117.34 1qry n LEU 18 Ca 0.04 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 1qry n LEU 18 Cb 0.49 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1qry n LEU 18 CO 0.52 0.00 0.26 -0.36 -1.33 0.00 0.00 177.39 176.49 1qry s PHE 19 N 3.31 -0.48 -0.22 -1.77 0.08 -1.26 -5.10 117.98 112.53 1qry s PHE 19 Ca 0.00 0.89 -0.38 0.00 0.12 0.00 0.00 56.93 57.56 1qry s PHE 19 Cb 0.00 0.27 -0.14 0.00 -0.57 0.00 0.00 43.02 42.58 1qry s PHE 19 CO 0.00 -0.48 1.83 0.25 -0.10 0.00 0.00 175.22 176.71 1qry n THR 20 N 1.34 0.40 -0.17 0.64 -2.24 -1.26 -4.64 114.28 108.34 1qry n THR 20 Ca -0.19 -0.09 0.24 0.00 -2.27 0.00 0.00 64.05 61.74 1qry n THR 20 Cb 0.56 -1.48 0.37 0.00 -2.10 0.00 0.00 70.33 67.69 1qry n THR 20 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qry n LYS 21 N 6.04 0.01 0.08 -0.78 5.02 -1.26 0.85 118.16 128.12 1qry n LYS 21 Ca 0.26 0.91 -0.03 0.00 -2.02 0.00 0.00 58.31 57.43 1qry n LYS 21 Cb 0.19 -2.27 -0.01 0.00 -0.02 0.00 0.00 35.03 32.92 1qry n LYS 21 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qry h ALA 22 N 0.44 -0.93 -3.00 7.82 0.00 -1.98 0.18 119.26 121.79 1qry h ALA 22 Ca 0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1qry h ALA 22 Cb 2.59 0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.46 1qry h ALA 22 CO -0.00 -0.92 0.00 1.04 0.00 0.00 0.00 179.25 179.37 1qry n GLN 23 N -2.61 0.00 -0.30 0.00 6.02 0.25 0.90 117.38 121.64 1qry n GLN 23 Ca -0.03 0.14 0.24 0.00 -0.01 0.00 0.00 57.00 57.34 1qry n GLN 23 Cb 0.08 -0.64 0.38 0.00 1.02 0.00 0.00 30.24 31.08 1qry n GLN 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1qry n THR 24 N -0.28 -0.07 0.00 5.09 -1.04 -1.17 -0.57 114.28 116.23 1qry n THR 24 Ca 0.00 0.84 0.00 0.00 -2.04 0.00 0.00 64.05 62.85 1qry n THR 24 Cb 0.00 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 1qry n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qry n TYR 25 N -3.35 0.00 -0.24 -1.42 9.36 0.26 0.16 117.16 121.94 1qry n TYR 25 Ca 0.22 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.34 1qry n TYR 25 Cb 0.91 -0.19 -0.06 0.00 -0.63 0.00 0.00 39.34 39.37 1qry n TYR 25 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1qry h GLU 26 N 0.00 -0.21 -0.90 2.98 4.39 -0.09 1.25 114.58 122.00 1qry h GLU 26 Ca 0.00 0.01 0.19 0.00 0.34 0.00 0.00 59.36 59.91 1qry h GLU 26 Cb 0.00 0.05 -0.17 0.00 -0.10 0.00 0.00 28.75 28.53 1qry h GLU 26 CO 0.00 -0.14 -0.17 -0.11 -1.16 0.00 0.00 179.01 177.42 1qry n LEU 27 N -5.37 -0.28 -0.15 1.33 0.00 0.26 0.25 117.00 113.04 1qry n LEU 27 Ca 0.01 1.54 -0.10 0.00 0.00 0.00 0.00 56.01 57.46 1qry n LEU 27 Cb 0.33 -0.49 -0.01 0.00 0.00 0.00 0.00 43.42 43.26 1qry n LEU 27 CO -0.04 -1.50 0.82 -0.33 0.00 0.00 0.00 177.39 176.35 1qry h GLU 28 N 0.00 0.74 -0.97 1.96 5.08 1.05 -2.58 114.58 119.86 1qry h GLU 28 Ca 0.46 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1qry h GLU 28 Cb 0.76 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 1qry h GLU 28 CO -0.91 0.78 0.61 0.00 -1.00 0.00 0.00 179.01 178.50 1qry h ARG 29 N 0.59 1.30 -0.60 2.33 3.08 0.81 0.47 114.38 122.36 1qry h ARG 29 Ca 0.13 -0.10 0.16 0.00 0.07 0.00 0.00 59.98 60.24 1qry h ARG 29 Cb 0.42 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1qry h ARG 29 CO 0.01 0.89 0.42 -0.09 -1.07 0.00 0.00 179.97 180.14 1qry h ARG 30 N 1.33 0.08 0.00 0.04 9.65 0.16 1.00 114.38 126.64 1qry h ARG 30 Ca 0.35 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.23 1qry h ARG 30 Cb -0.10 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 1qry h ARG 30 CO -0.07 0.05 0.01 0.34 2.80 0.00 0.00 179.97 183.10 1qry n PHE 31 N -4.39 0.15 0.00 2.20 -0.00 0.16 -1.13 117.46 114.45 1qry n PHE 31 Ca 0.11 0.08 0.00 0.00 -0.00 0.00 0.00 57.45 57.64 1qry n PHE 31 Cb 0.62 -0.62 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1qry n PHE 31 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1qry n ARG 32 N -1.65 0.00 0.00 -4.13 1.74 0.35 -3.77 116.66 109.20 1qry n ARG 32 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1qry n ARG 32 Cb 0.02 -0.38 0.00 0.00 -1.02 0.00 0.00 32.46 31.08 1qry n ARG 32 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1qry n GLN 33 N -0.63 0.00 -3.73 5.56 6.02 -1.21 -4.20 117.38 119.19 1qry n GLN 33 Ca 0.00 0.28 -0.12 0.00 -0.01 0.00 0.00 57.00 57.15 1qry n GLN 33 Cb 0.00 -1.62 -0.12 0.00 1.02 0.00 0.00 30.24 29.51 1qry n GLN 33 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1qry s GLN 34 N -2.50 0.25 0.00 -1.09 2.00 -0.28 -5.02 119.66 113.02 1qry s GLN 34 Ca 0.00 0.57 0.02 0.00 -2.00 0.00 0.00 55.36 53.95 1qry s GLN 34 Cb 0.00 -0.08 0.01 0.00 0.80 0.00 0.00 33.01 33.75 1qry s GLN 34 CO 0.00 -0.15 0.54 2.89 -0.50 0.00 0.00 175.29 178.07 1qry n ARG 35 N 4.12 -0.26 -2.87 1.67 1.85 -1.25 -3.40 116.66 116.52 1qry n ARG 35 Ca -0.24 -0.59 -0.12 0.00 -1.00 0.00 0.00 57.85 55.90 1qry n ARG 35 Cb 0.54 -1.01 0.03 0.00 -1.05 0.00 0.00 32.46 30.96 1qry n ARG 35 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1qry n TYR 36 N 0.05 -0.19 -0.79 2.89 0.18 -1.26 -5.06 117.16 112.98 1qry n TYR 36 Ca 0.01 -2.98 -0.30 0.00 1.88 0.00 0.00 57.90 56.52 1qry n TYR 36 Cb 0.05 0.12 0.03 0.00 -0.38 0.00 0.00 39.34 39.16 1qry n TYR 36 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1qry n LEU 37 N 0.05 -3.58 -3.62 -3.48 4.32 -1.26 -4.94 117.00 104.50 1qry n LEU 37 Ca 0.13 0.07 -0.08 0.00 -0.02 0.00 0.00 56.01 56.11 1qry n LEU 37 Cb 0.75 -0.50 -0.06 0.00 -1.62 0.00 0.00 43.42 41.99 1qry n LEU 37 CO 0.17 -3.38 0.84 -0.44 -1.22 0.00 0.00 177.39 173.37 1qry s SER 38 N -0.79 -0.34 0.10 -1.43 0.01 -1.26 -4.74 113.70 105.24 1qry s SER 38 Ca 0.30 0.55 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1qry s SER 38 Cb -0.03 0.53 0.24 0.00 0.21 0.00 0.00 66.02 66.97 1qry s SER 38 CO 0.59 -0.19 0.52 0.00 0.41 0.00 0.00 173.24 174.57 1qry n ALA 39 N 1.53 0.16 -0.05 1.44 0.00 -1.26 0.48 120.51 122.81 1qry n ALA 39 Ca -0.11 0.36 -0.12 0.00 0.00 0.00 0.00 53.44 53.57 1qry n ALA 39 Cb 0.57 -0.26 -0.07 0.00 0.00 0.00 0.00 19.45 19.70 1qry n ALA 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1qry h PRO 40 N 0.00 0.27 0.11 0.00 0.10 -1.99 -0.91 132.00 129.57 1qry h PRO 40 Ca 0.20 -0.11 -0.01 0.00 0.10 0.00 0.00 66.00 66.18 1qry h PRO 40 Cb 0.39 -0.01 0.00 0.00 0.10 0.00 0.00 31.00 31.48 1qry h PRO 40 CO -0.32 0.57 -0.05 0.93 0.10 0.00 0.00 178.00 179.23 1qry h GLU 41 N -0.05 -0.14 -0.82 1.05 3.07 1.07 -3.29 114.58 115.46 1qry h GLU 41 Ca 0.03 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.02 1qry h GLU 41 Cb 0.48 0.03 -0.12 0.00 -0.84 0.00 0.00 28.75 28.30 1qry h GLU 41 CO 0.02 0.20 -0.36 0.54 -1.40 0.00 0.00 179.01 178.01 1qry n ARG 42 N -4.84 -0.23 -0.43 2.33 1.74 1.36 0.33 116.66 116.92 1qry n ARG 42 Ca -0.05 1.26 0.34 0.00 -0.77 0.00 0.00 57.85 58.62 1qry n ARG 42 Cb 0.20 -1.86 0.54 0.00 -1.02 0.00 0.00 32.46 30.32 1qry n ARG 42 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1qry n GLU 43 N -5.16 -0.01 0.34 5.56 -0.58 -0.35 0.15 120.64 120.58 1qry n GLU 43 Ca 0.07 0.84 -0.13 0.00 -0.42 0.00 0.00 57.16 57.52 1qry n GLU 43 Cb 0.30 -1.79 -0.06 0.00 -0.57 0.00 0.00 31.44 29.32 1qry n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1qry h HIS 44 N 0.00 -0.80 -0.28 -0.32 2.76 0.53 -2.30 115.15 114.74 1qry h HIS 44 Ca 0.66 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.85 1qry h HIS 44 Cb 2.38 0.27 -0.08 0.00 1.55 0.00 0.00 27.41 31.53 1qry h HIS 44 CO -0.00 -0.50 -0.53 1.25 -1.30 0.00 0.00 177.93 176.85 1qry h LEU 45 N -1.00 -1.73 -0.24 0.26 7.12 0.13 1.09 115.31 120.94 1qry h LEU 45 Ca -0.09 0.22 0.00 0.00 0.13 0.00 0.00 57.88 58.14 1qry h LEU 45 Cb 0.66 0.70 0.00 0.00 -0.53 0.00 0.00 40.66 41.49 1qry h LEU 45 CO 0.15 -0.44 0.68 0.71 -0.13 0.00 0.00 178.44 179.41 1qry h THR 46 N -0.47 0.00 0.13 1.05 1.35 -1.01 3.62 112.91 117.57 1qry h THR 46 Ca 0.06 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.67 1qry h THR 46 Cb 0.63 0.08 0.01 0.00 -1.73 0.00 0.00 68.15 67.14 1qry h THR 46 CO -0.52 0.00 -1.27 0.77 -0.25 0.00 0.00 175.52 174.25 1qry h SER 47 N 0.00 0.45 0.00 5.36 4.64 0.18 -3.07 113.55 121.11 1qry h SER 47 Ca 0.00 -0.89 0.00 0.00 -0.47 0.00 0.00 61.79 60.43 1qry h SER 47 Cb 1.36 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1qry h SER 47 CO 0.00 1.57 0.00 0.18 -0.87 0.00 0.00 176.83 177.71 1qry n LEU 48 N -3.95 0.32 -2.06 5.97 7.99 1.20 -4.29 117.00 122.18 1qry n LEU 48 Ca -0.21 0.17 -0.15 0.00 -0.01 0.00 0.00 56.01 55.80 1qry n LEU 48 Cb 0.90 0.00 0.22 0.00 -0.11 0.00 0.00 43.42 44.43 1qry n LEU 48 CO 0.45 0.00 1.13 2.30 -1.51 0.00 0.00 177.39 179.76 1qry n ILE 49 N -0.22 2.94 0.00 -0.08 -0.00 -1.07 -4.92 119.36 116.02 1qry n ILE 49 Ca 0.00 -1.67 0.00 0.00 -0.00 0.00 0.00 62.75 61.08 1qry n ILE 49 Cb 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 39.64 39.19 1qry n ILE 49 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1qry n ARG 50 N -0.62 0.00 -1.48 6.28 1.74 -1.16 -4.78 116.66 116.64 1qry n ARG 50 Ca 0.48 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 57.14 1qry n ARG 50 Cb 1.48 -1.57 -0.15 0.00 -1.02 0.00 0.00 32.46 31.20 1qry n ARG 50 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1qry n LEU 51 N 0.00 0.31 -1.90 0.55 7.99 -1.26 -4.63 117.00 118.07 1qry n LEU 51 Ca 0.00 0.21 -0.17 0.00 -0.01 0.00 0.00 56.01 56.03 1qry n LEU 51 Cb 0.00 -0.91 0.00 0.00 -0.11 0.00 0.00 43.42 42.40 1qry n LEU 51 CO 0.00 -0.72 -0.30 0.35 -1.51 0.00 0.00 177.39 175.21 1qry n THR 52 N 7.41 0.00 0.00 -5.08 -2.24 -1.26 -4.08 114.28 109.03 1qry n THR 52 Ca 0.65 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 62.21 1qry n THR 52 Cb 0.03 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1qry n THR 52 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1qry n PRO 53 N 0.69 0.00 -0.16 -0.78 -0.02 -1.26 -0.61 135.00 132.85 1qry n PRO 53 Ca 0.03 0.70 -0.09 0.00 -2.02 0.00 0.00 63.50 62.13 1qry n PRO 53 Cb 0.21 -1.35 -0.04 0.00 -0.02 0.00 0.00 33.50 32.31 1qry n PRO 53 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1qry h THR 54 N 0.00 0.11 -1.00 3.45 2.02 -1.98 0.81 112.91 116.32 1qry h THR 54 Ca 0.00 0.00 0.38 0.00 0.77 0.00 0.00 66.41 67.56 1qry h THR 54 Cb 0.00 0.11 -0.18 0.00 -1.74 0.00 0.00 68.15 66.34 1qry h THR 54 CO 0.00 0.00 0.44 1.56 0.37 0.00 0.00 175.52 177.89 1qry h GLN 55 N -0.27 0.04 -0.06 6.66 1.08 -1.71 1.65 115.11 122.50 1qry h GLN 55 Ca 0.16 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1qry h GLN 55 Cb 0.57 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1qry h GLN 55 CO -0.63 0.03 0.00 0.28 -0.95 0.00 0.00 178.83 177.56 1qry h VAL 56 N 0.04 1.24 0.24 -0.54 2.07 0.30 -1.80 116.25 117.81 1qry h VAL 56 Ca 0.79 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1qry h VAL 56 Cb 1.98 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 33.36 1qry h VAL 56 CO -0.78 0.21 -0.35 0.50 0.02 0.00 0.00 177.57 177.17 1qry h LYS 57 N -0.18 -0.59 -0.63 1.57 3.64 0.40 0.41 116.57 121.19 1qry h LYS 57 Ca 0.02 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.62 1qry h LYS 57 Cb 0.32 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1qry h LYS 57 CO 0.00 -0.40 0.58 0.82 -2.27 0.00 0.00 179.45 178.19 1qry h ILE 58 N -0.62 0.39 0.01 2.00 1.08 -0.77 1.01 117.51 120.62 1qry h ILE 58 Ca -0.03 0.00 -0.20 0.00 -0.39 0.00 0.00 64.86 64.24 1qry h ILE 58 Cb 0.56 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 1qry h ILE 58 CO -0.10 0.00 -0.96 -0.25 -0.69 0.00 0.00 178.15 176.15 1qry h TRP 59 N 0.00 0.09 -0.00 1.37 7.01 -0.01 -3.20 115.95 121.20 1qry h TRP 59 Ca 0.30 -0.06 -0.25 0.00 2.11 0.00 0.00 58.89 60.99 1qry h TRP 59 Cb 1.46 -0.01 0.01 0.00 -2.10 0.00 0.00 29.16 28.52 1qry h TRP 59 CO 0.00 0.97 -0.99 0.74 -2.79 0.00 0.00 178.44 176.37 1qry h PHE 60 N 0.02 0.86 0.35 2.65 -1.00 0.51 -3.03 116.94 117.31 1qry h PHE 60 Ca -0.03 -0.46 -0.00 0.00 2.81 0.00 0.00 57.97 60.29 1qry h PHE 60 Cb 1.67 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 41.10 1qry h PHE 60 CO 0.01 1.29 -0.46 0.37 -1.61 0.00 0.00 178.31 177.92 1qry h GLN 61 N 0.33 -0.82 -0.39 1.51 4.15 -0.94 4.79 115.11 123.74 1qry h GLN 61 Ca -0.11 0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.44 1qry h GLN 61 Cb 1.64 0.19 -0.07 0.00 0.21 0.00 0.00 27.48 29.45 1qry h GLN 61 CO 0.19 -0.55 -0.05 -0.97 -1.93 0.00 0.00 178.83 175.52 1qry h ASN 62 N -0.85 -0.26 -0.15 -0.69 -0.00 -1.65 -2.02 115.58 109.96 1qry h ASN 62 Ca -0.03 0.10 -0.21 0.00 -0.00 0.00 0.00 56.30 56.17 1qry h ASN 62 Cb 0.78 0.20 0.01 0.00 -0.00 0.00 0.00 38.32 39.30 1qry h ASN 62 CO -0.12 -0.09 -0.69 0.45 -0.00 0.00 0.00 177.43 176.97 1qry h HIS 63 N 0.05 1.02 -0.80 0.67 3.86 -1.31 -3.24 115.15 115.40 1qry h HIS 63 Ca 0.19 -0.42 0.13 0.00 -1.16 0.00 0.00 60.37 59.11 1qry h HIS 63 Cb 0.28 -0.17 -0.13 0.00 1.06 0.00 0.00 27.41 28.45 1qry h HIS 63 CO -0.30 1.24 -0.29 -2.13 0.86 0.00 0.00 177.93 177.31 1qry n ARG 64 N -3.95 -0.16 -0.13 2.45 3.00 1.57 0.42 116.66 119.85 1qry n ARG 64 Ca -0.06 1.24 -0.11 0.00 -0.00 0.00 0.00 57.85 58.92 1qry n ARG 64 Cb 0.70 -1.84 -0.02 0.00 0.00 0.00 0.00 32.46 31.30 1qry n ARG 64 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1qry h TYR 65 N 0.00 0.82 0.14 -0.14 3.20 -1.58 -3.27 116.97 116.14 1qry h TYR 65 Ca 0.30 -0.18 -0.22 0.00 3.14 0.00 0.00 58.73 61.78 1qry h TYR 65 Cb 0.50 -0.20 0.02 0.00 1.54 0.00 0.00 36.73 38.60 1qry h TYR 65 CO -0.69 0.87 -0.94 0.87 -1.64 0.00 0.00 178.16 176.63 1qry h LYS 66 N 0.54 0.40 0.00 1.82 1.57 0.48 -3.13 116.57 118.25 1qry h LYS 66 Ca 0.10 -0.61 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1qry h LYS 66 Cb 0.60 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1qry h LYS 66 CO 0.04 1.27 0.61 0.25 -0.57 0.00 0.00 179.45 181.05 1qry n THR 67 N -4.04 0.18 0.05 -0.16 -2.24 1.41 0.26 114.28 109.75 1qry n THR 67 Ca -0.14 0.73 -0.22 0.00 -2.27 0.00 0.00 64.05 62.15 1qry n THR 67 Cb 0.87 -1.73 -0.15 0.00 -2.10 0.00 0.00 70.33 67.22 1qry n THR 67 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1qry h LYS 68 N 0.00 0.34 0.00 -0.78 1.57 -1.60 -3.29 116.57 112.81 1qry h LYS 68 Ca 0.00 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1qry h LYS 68 Cb 1.22 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.75 1qry h LYS 68 CO 0.00 1.27 0.00 0.54 -0.57 0.00 0.00 179.45 180.69 1qry n ARG 69 N -3.54 0.09 -0.07 3.15 3.00 0.72 -2.68 116.66 117.33 1qry n ARG 69 Ca -0.26 0.47 -0.12 0.00 -0.01 0.00 0.00 57.85 57.92 1qry n ARG 69 Cb 1.07 -1.73 -0.09 0.00 0.00 0.00 0.00 32.46 31.71 1qry n ARG 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1qry h ALA 70 N 2.18 0.05 -0.08 7.54 0.00 -1.56 -3.32 119.26 124.07 1qry h ALA 70 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.38 1qry h ALA 70 Cb 0.15 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1qry h ALA 70 CO 0.00 0.18 0.06 1.96 0.00 0.00 0.00 179.25 181.45 1qry h GLN 71 N -1.00 0.09 -0.55 0.00 4.20 -1.61 -1.23 115.11 114.99 1qry h GLN 71 Ca -0.07 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.64 1qry h GLN 71 Cb 0.80 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 1qry h GLN 71 CO -0.04 0.06 0.37 -0.97 -0.67 0.00 0.00 178.83 177.57 1qry h ASN 72 N 0.09 0.64 0.00 1.46 -0.73 -1.62 -3.34 115.58 112.07 1qry h ASN 72 Ca 0.03 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.19 1qry h ASN 72 Cb 0.02 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.45 1qry h ASN 72 CO -0.01 0.46 0.00 -0.62 -0.37 0.00 0.00 177.43 176.90 1qry n GLU 73 N -4.45 0.00 0.00 6.67 1.02 -0.53 -4.91 120.64 118.44 1qry n GLU 73 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1qry n GLU 73 Cb 0.05 -0.16 0.00 0.00 -0.02 0.00 0.00 31.44 31.31 1qry n GLU 73 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1qry n LYS 74 N -0.43 0.00 -1.72 3.49 3.00 -0.80 -4.91 118.16 116.80 1qry n LYS 74 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 1qry n LYS 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1qry n LYS 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qry n GLY 75 N 0.00 -1.17 0.00 3.14 0.00 -1.26 -5.08 105.19 100.82 1qry n GLY 75 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1qry n GLY 75 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qry n TYR 76 N -0.37 0.00 0.89 1.61 4.01 -1.26 -4.88 117.16 117.16 1qry n TYR 76 Ca 0.02 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.86 1qry n TYR 76 Cb 0.06 0.00 0.49 0.00 -0.31 0.00 0.00 39.34 39.58 1qry n TYR 76 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1qry n GLU 77 N 0.00 0.21 -0.85 -0.72 4.71 -1.26 -4.99 120.64 117.74 1qry n GLU 77 Ca 0.00 0.11 0.11 0.00 -0.01 0.00 0.00 57.16 57.37 1qry n GLU 77 Cb 0.00 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 28.90 1qry n GLU 77 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qry n GLY 78 N 0.48 -1.12 2.96 0.62 0.00 -1.26 -4.56 105.19 102.31 1qry n GLY 78 Ca 0.08 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1qry n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qry s HIS 79 N -1.88 3.33 -2.00 1.61 3.76 -1.26 -5.17 115.29 113.67 1qry s HIS 79 Ca 0.00 -3.09 0.15 0.00 -0.15 0.00 0.00 55.06 51.96 1qry s HIS 79 Cb 0.00 -2.82 0.87 0.00 1.11 0.00 0.00 32.58 31.74 1qry s HIS 79 CO 0.00 -0.81 1.29 -2.30 -0.85 0.00 0.00 174.74 172.07