#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 1.00 -1.35 1.61 3.41 -1.26 -5.18 113.62 111.85 1qry n SER 2 Ca 0.00 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 1qry n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1qry n SER 2 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1qry n HIS 3 N 0.00 0.00 1.02 7.33 -0.00 -1.26 -4.97 115.22 117.34 1qry n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1qry n HIS 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 0.69 -3.58 -0.41 3.85 -1.26 -4.70 117.12 111.71 1qry n MET 4 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 57.70 56.53 1qry n MET 4 Cb 0.00 -1.17 -0.07 0.00 -1.05 0.00 0.00 33.22 30.93 1qry n MET 4 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1qry s SER 5 N -0.81 -0.58 -0.67 3.17 1.04 -1.26 -5.04 113.70 109.55 1qry s SER 5 Ca 0.00 0.68 -0.02 0.00 0.48 0.00 0.00 55.95 57.09 1qry s SER 5 Cb 0.00 0.60 0.37 0.00 0.10 0.00 0.00 66.02 67.09 1qry s SER 5 CO 0.00 -0.54 2.08 0.47 0.98 0.00 0.00 173.24 176.24 1qry n ASP 6 N 1.19 7.45 0.00 7.02 8.00 -1.26 -4.96 116.55 133.99 1qry n ASP 6 Ca -0.19 -3.69 0.00 0.00 0.71 0.00 0.00 54.79 51.62 1qry n ASP 6 Cb 0.57 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 1qry n ASP 6 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qry n GLY 7 N -0.56 0.97 2.43 0.44 0.00 -1.26 -4.79 105.19 102.42 1qry n GLY 7 Ca 0.56 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 1qry n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qry n LEU 8 N 0.00 2.10 -0.25 0.99 4.32 -1.26 -4.93 117.00 117.97 1qry n LEU 8 Ca 0.00 -5.06 0.02 0.00 -0.02 0.00 0.00 56.01 50.95 1qry n LEU 8 Cb 0.00 -0.15 0.15 0.00 -1.62 0.00 0.00 43.42 41.79 1qry n LEU 8 CO 0.00 1.99 1.07 -0.65 -1.22 0.00 0.00 177.39 178.58 1qry h PRO 9 N 4.48 0.59 -0.08 3.23 0.11 -1.97 0.44 132.00 138.79 1qry h PRO 9 Ca 0.16 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.26 1qry h PRO 9 Cb 0.77 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 1qry h PRO 9 CO 0.65 0.39 0.15 -0.91 -0.21 0.00 0.00 178.00 178.07 1qry h ASN 10 N 0.61 0.00 -5.28 -2.05 -0.26 -2.02 -3.47 115.58 103.11 1qry h ASN 10 Ca 0.36 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.11 1qry h ASN 10 Cb 0.40 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.59 1qry h ASN 10 CO -0.28 0.00 -0.92 0.29 -1.06 0.00 0.00 177.43 175.46 1qry n LYS 11 N -3.44 -3.32 -0.50 0.81 4.76 0.15 -4.62 118.16 111.99 1qry n LYS 11 Ca -0.01 2.57 -0.02 0.00 -2.87 0.00 0.00 58.31 57.98 1qry n LYS 11 Cb 0.24 -3.37 -0.03 0.00 -1.84 0.00 0.00 35.03 30.03 1qry n LYS 11 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1qry n LYS 12 N 2.03 1.01 0.00 1.97 5.02 -1.26 -4.70 118.16 122.22 1qry n LYS 12 Ca -0.22 -0.18 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 1qry n LYS 12 Cb 0.34 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1qry n LYS 12 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qry n ARG 13 N 1.80 1.56 -0.69 1.97 5.12 -1.26 -4.80 116.66 120.36 1qry n ARG 13 Ca 0.08 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.97 1qry n ARG 13 Cb 0.49 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.78 1qry n ARG 13 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1qry n LYS 14 N 0.00 -1.65 -3.21 5.56 4.81 -1.26 -1.98 118.16 120.43 1qry n LYS 14 Ca 0.00 0.26 -0.07 0.00 -0.87 0.00 0.00 58.31 57.63 1qry n LYS 14 Cb 0.00 -3.82 0.01 0.00 0.02 0.00 0.00 35.03 31.25 1qry n LYS 14 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1qry n ARG 15 N -0.41 -1.49 0.00 1.64 5.12 -1.26 -4.96 116.66 115.30 1qry n ARG 15 Ca -0.03 1.26 0.00 0.00 -1.93 0.00 0.00 57.85 57.15 1qry n ARG 15 Cb 0.19 -5.30 0.00 0.00 -1.16 0.00 0.00 32.46 26.18 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 -2.24 -1.29 -2.15 5.56 1.85 -0.84 -4.94 116.66 112.61 1qry n ARG 16 Ca -0.05 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.48 1qry n ARG 16 Cb 0.55 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.95 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 -0.82 4.42 0.00 8.89 0.11 -1.26 -5.06 120.40 126.69 1qry s VAL 17 Ca 0.00 1.04 0.00 0.00 -2.93 0.00 0.00 61.98 60.09 1qry s VAL 17 Cb 0.00 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 1qry s VAL 17 CO 0.00 -0.78 0.00 0.18 -3.33 0.00 0.00 175.10 171.17 1qry n LEU 18 N -2.05 0.00 0.00 2.54 4.77 -1.26 -5.18 117.00 115.82 1qry n LEU 18 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1qry n LEU 18 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1qry n LEU 18 CO 0.50 0.00 0.00 0.49 -1.33 0.00 0.00 177.39 177.05 1qry n PHE 19 N 0.00 0.00 -3.19 -1.77 3.01 -1.26 -5.10 117.46 109.14 1qry n PHE 19 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 1qry n PHE 19 Cb 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.40 1qry n PHE 19 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1qry s THR 20 N -2.00 4.93 0.39 4.37 -4.23 -1.26 -4.88 115.64 112.96 1qry s THR 20 Ca 0.00 -0.23 0.35 0.00 -1.18 0.00 0.00 61.69 60.63 1qry s THR 20 Cb 0.00 -4.18 0.51 0.00 1.34 0.00 0.00 72.50 70.17 1qry s THR 20 CO 0.00 -0.60 1.09 0.29 -0.54 0.00 0.00 174.62 174.85 1qry n LYS 21 N 6.01 0.00 0.04 3.99 5.02 -1.26 0.12 118.16 132.08 1qry n LYS 21 Ca -0.05 0.76 -0.02 0.00 -2.02 0.00 0.00 58.31 56.98 1qry n LYS 21 Cb 0.47 -1.76 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 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 0.68 -0.93 -2.39 7.82 0.00 -1.97 0.56 119.26 123.03 1qry h ALA 22 Ca 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1qry h ALA 22 Cb 2.63 0.15 0.00 0.00 0.00 0.00 0.00 17.79 20.58 1qry h ALA 22 CO -0.01 -0.92 0.00 1.04 0.00 0.00 0.00 179.25 179.36 1qry n GLN 23 N -2.41 0.00 -0.15 0.00 6.02 0.33 0.13 117.38 121.30 1qry n GLN 23 Ca -0.01 0.11 0.10 0.00 -0.01 0.00 0.00 57.00 57.19 1qry n GLN 23 Cb 0.04 -0.51 0.18 0.00 1.02 0.00 0.00 30.24 30.97 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 -0.26 -0.19 0.00 5.09 -1.04 -1.20 0.17 114.28 116.86 1qry n THR 24 Ca 0.00 0.96 0.00 0.00 -2.04 0.00 0.00 64.05 62.97 1qry n THR 24 Cb 0.00 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 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 -4.32 0.00 -0.33 -1.42 9.36 0.34 0.28 117.16 121.08 1qry n TYR 25 Ca 0.13 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.27 1qry n TYR 25 Cb 0.43 -0.22 -0.05 0.00 -0.63 0.00 0.00 39.34 38.88 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 -0.10 -0.94 2.98 4.39 0.29 1.89 114.58 123.09 1qry h GLU 26 Ca 0.00 0.01 0.19 0.00 0.34 0.00 0.00 59.36 59.90 1qry h GLU 26 Cb 0.00 0.02 -0.18 0.00 -0.10 0.00 0.00 28.75 28.49 1qry h GLU 26 CO 0.00 -0.07 -0.21 -0.11 -1.16 0.00 0.00 179.01 177.46 1qry n LEU 27 N -5.36 -0.32 -0.24 1.33 0.00 0.45 0.26 117.00 113.12 1qry n LEU 27 Ca 0.03 1.62 -0.07 0.00 0.00 0.00 0.00 56.01 57.59 1qry n LEU 27 Cb 0.33 -0.50 0.04 0.00 0.00 0.00 0.00 43.42 43.29 1qry n LEU 27 CO -0.10 -1.56 0.98 -0.33 0.00 0.00 0.00 177.39 176.38 1qry h GLU 28 N 0.00 1.04 -0.69 1.96 4.39 1.72 -2.12 114.58 120.87 1qry h GLU 28 Ca 0.46 -0.22 0.11 0.00 0.34 0.00 0.00 59.36 60.06 1qry h GLU 28 Cb 0.73 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 1qry h GLU 28 CO -0.96 0.89 0.46 0.00 -1.16 0.00 0.00 179.01 178.24 1qry h ARG 29 N 0.97 0.48 0.75 2.33 3.08 0.76 -1.76 114.38 120.98 1qry h ARG 29 Ca 0.22 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1qry h ARG 29 Cb 0.28 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1qry h ARG 29 CO -0.01 0.31 -0.39 -0.09 -1.07 0.00 0.00 179.97 178.73 1qry h ARG 30 N 0.49 -1.01 -0.86 0.04 1.12 -0.32 0.48 114.38 114.32 1qry h ARG 30 Ca 0.33 0.07 0.24 0.00 -1.11 0.00 0.00 59.98 59.50 1qry h ARG 30 Cb 0.61 0.23 -0.16 0.00 -0.01 0.00 0.00 29.97 30.64 1qry h ARG 30 CO -0.10 -0.67 0.01 0.34 -3.11 0.00 0.00 179.97 176.44 1qry n PHE 31 N -5.55 0.54 0.05 2.20 -0.00 -0.68 0.30 117.46 114.33 1qry n PHE 31 Ca -0.14 1.04 -0.13 0.00 -0.00 0.00 0.00 57.45 58.22 1qry n PHE 31 Cb 0.43 -1.14 -0.09 0.00 -0.00 0.00 0.00 39.48 38.68 1qry n PHE 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1qry h ARG 32 N 0.00 -0.12 -0.29 -4.13 3.08 -1.18 -3.17 114.38 108.58 1qry h ARG 32 Ca 0.52 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.55 1qry h ARG 32 Cb 1.07 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1qry h ARG 32 CO -0.81 0.18 0.09 1.96 -1.07 0.00 0.00 179.97 180.32 1qry h GLN 33 N -0.42 0.46 0.00 0.04 4.20 0.35 -3.44 115.11 116.30 1qry h GLN 33 Ca -0.01 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1qry h GLN 33 Cb 0.35 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1qry h GLN 33 CO 0.02 0.52 0.00 0.94 -0.67 0.00 0.00 178.83 179.64 1qry n GLN 34 N -4.70 3.76 0.00 1.46 -0.06 0.88 -5.07 117.38 113.66 1qry n GLN 34 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.98 1qry n GLN 34 Cb 0.17 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.35 1qry n GLN 34 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 1qry n ARG 35 N 0.00 0.00 -3.03 3.69 1.85 -1.25 -4.73 116.66 113.19 1qry n ARG 35 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.70 1qry n ARG 35 Cb 0.00 -0.04 0.00 0.00 -1.05 0.00 0.00 32.46 31.37 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 -2.37 -0.34 0.00 2.89 0.18 -1.26 -4.97 117.16 111.29 1qry n TYR 36 Ca 0.00 -3.35 0.00 0.00 1.88 0.00 0.00 57.90 56.43 1qry n TYR 36 Cb 0.00 0.01 0.00 0.00 -0.38 0.00 0.00 39.34 38.97 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 0.23 0.00 0.00 -3.48 4.32 -1.26 -4.93 117.00 111.88 1qry n LEU 37 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 1qry n LEU 37 Cb 0.69 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.49 1qry n LEU 37 CO 0.18 0.00 0.00 -1.54 -1.22 0.00 0.00 177.39 174.81 1qry n SER 38 N 0.00 0.00 0.01 -1.43 3.41 -1.26 -4.72 113.62 109.63 1qry n SER 38 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1qry n SER 38 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1qry n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qry h ALA 39 N 1.00 0.56 0.00 7.33 0.00 -1.99 -2.67 119.26 123.50 1qry h ALA 39 Ca 0.00 -1.28 -0.20 0.00 0.00 0.00 0.00 54.91 53.42 1qry h ALA 39 Cb 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1qry h ALA 39 CO 0.00 1.41 -1.62 -0.35 0.00 0.00 0.00 179.25 178.69 1qry n PRO 40 N -3.22 0.63 -0.08 0.00 -0.04 -1.26 -3.98 135.00 127.05 1qry n PRO 40 Ca -0.15 0.18 -0.15 0.00 -0.04 0.00 0.00 63.50 63.34 1qry n PRO 40 Cb 1.03 -1.75 -0.10 0.00 -0.04 0.00 0.00 33.50 32.64 1qry n PRO 40 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1qry h GLU 41 N 0.00 0.00 -0.98 0.54 3.07 -1.93 -3.31 114.58 111.97 1qry h GLU 41 Ca -0.22 0.00 0.32 0.00 -0.50 0.00 0.00 59.36 58.96 1qry h GLU 41 Cb 1.70 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 29.43 1qry h GLU 41 CO 0.05 0.81 0.26 0.00 -1.40 0.00 0.00 179.01 178.73 1qry h ARG 42 N -1.00 0.04 -1.03 2.33 3.08 -1.68 4.51 114.38 120.64 1qry h ARG 42 Ca -0.13 -0.00 0.30 0.00 0.07 0.00 0.00 59.98 60.21 1qry h ARG 42 Cb 0.97 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.97 1qry h ARG 42 CO -0.08 0.03 0.95 0.93 -1.07 0.00 0.00 179.97 180.73 1qry h GLU 43 N 0.05 0.00 0.49 0.04 4.39 -1.69 0.38 114.58 118.24 1qry h GLU 43 Ca 0.69 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.37 1qry h GLU 43 Cb 1.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.26 1qry h GLU 43 CO -0.82 0.00 -0.24 1.25 -1.16 0.00 0.00 179.01 178.04 1qry h HIS 44 N 0.00 -0.61 -0.23 4.33 2.76 0.87 -2.89 115.15 119.38 1qry h HIS 44 Ca 0.49 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.68 1qry h HIS 44 Cb 2.39 0.20 -0.07 0.00 1.55 0.00 0.00 27.41 31.48 1qry h HIS 44 CO 0.00 -0.32 -0.52 1.25 -1.30 0.00 0.00 177.93 177.05 1qry h LEU 45 N -1.09 -1.66 -0.16 0.26 7.12 -0.38 0.91 115.31 120.30 1qry h LEU 45 Ca -0.07 0.21 0.00 0.00 0.13 0.00 0.00 57.88 58.15 1qry h LEU 45 Cb 0.57 0.67 0.00 0.00 -0.53 0.00 0.00 40.66 41.37 1qry h LEU 45 CO 0.11 -0.45 0.73 0.71 -0.13 0.00 0.00 178.44 179.41 1qry h THR 46 N -0.50 0.00 0.07 1.05 1.35 -1.03 4.19 112.91 118.03 1qry h THR 46 Ca 0.06 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.62 1qry h THR 46 Cb 0.65 0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.09 1qry h THR 46 CO -0.49 0.00 -1.63 0.77 -0.25 0.00 0.00 175.52 173.93 1qry h SER 47 N 0.00 0.22 0.00 5.36 4.64 0.11 -3.22 113.55 120.66 1qry h SER 47 Ca 0.00 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1qry h SER 47 Cb 1.46 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1qry h SER 47 CO 0.00 1.32 0.00 0.18 -0.87 0.00 0.00 176.83 177.46 1qry n LEU 48 N -3.30 1.41 -1.69 5.97 7.99 1.38 -4.48 117.00 124.28 1qry n LEU 48 Ca -0.18 0.02 -0.08 0.00 -0.01 0.00 0.00 56.01 55.76 1qry n LEU 48 Cb 1.04 0.00 0.19 0.00 -0.11 0.00 0.00 43.42 44.54 1qry n LEU 48 CO 0.47 0.00 0.89 2.30 -1.51 0.00 0.00 177.39 179.54 1qry n ILE 49 N -0.25 2.27 0.00 -0.08 -0.00 -1.11 -4.90 119.36 115.28 1qry n ILE 49 Ca 0.00 -1.17 0.00 0.00 -0.00 0.00 0.00 62.75 61.58 1qry n ILE 49 Cb 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 39.64 39.12 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 -0.19 0.00 -1.50 6.28 1.74 -1.22 -4.77 116.66 117.00 1qry n ARG 50 Ca 0.32 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 57.03 1qry n ARG 50 Cb 1.14 -0.98 -0.16 0.00 -1.02 0.00 0.00 32.46 31.44 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 -0.00 -1.41 0.55 4.77 -1.26 -4.59 117.00 115.06 1qry n LEU 51 Ca 0.00 0.04 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 1qry n LEU 51 Cb 0.00 -0.86 -0.01 0.00 -2.33 0.00 0.00 43.42 40.22 1qry n LEU 51 CO 0.00 -0.86 0.03 0.35 -1.33 0.00 0.00 177.39 175.58 1qry n THR 52 N 7.15 0.51 0.00 -5.08 -2.24 -1.26 -3.68 114.28 109.67 1qry n THR 52 Ca 0.66 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.31 1qry n THR 52 Cb 0.06 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 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 0.35 0.00 -0.37 -0.78 -0.02 -1.26 -0.40 135.00 132.52 1qry n PRO 53 Ca 0.06 0.34 -0.07 0.00 -2.02 0.00 0.00 63.50 61.81 1qry n PRO 53 Cb 0.07 -0.67 -0.05 0.00 -0.02 0.00 0.00 33.50 32.83 1qry n PRO 53 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1qry n THR 54 N -0.88 -0.57 -0.31 3.45 -1.04 -1.26 0.24 114.28 113.91 1qry n THR 54 Ca 0.00 2.15 0.13 0.00 -2.04 0.00 0.00 64.05 64.30 1qry n THR 54 Cb 0.00 -2.72 0.28 0.00 -1.82 0.00 0.00 70.33 66.08 1qry n THR 54 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1qry h GLN 55 N 0.00 0.10 -0.42 -2.82 4.20 -1.00 1.47 115.11 116.64 1qry h GLN 55 Ca 0.20 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.98 1qry h GLN 55 Cb 0.42 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.11 1qry h GLN 55 CO -0.86 0.07 -0.04 0.28 -0.67 0.00 0.00 178.83 177.60 1qry h VAL 56 N 0.10 0.64 -0.15 -0.54 2.07 0.59 0.17 116.25 119.13 1qry h VAL 56 Ca 0.56 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 68.05 1qry h VAL 56 Cb 1.16 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1qry h VAL 56 CO -0.76 0.01 0.05 0.50 0.02 0.00 0.00 177.57 177.39 1qry h LYS 57 N 0.06 0.23 -0.18 1.57 3.64 0.25 -1.48 116.57 120.66 1qry h LYS 57 Ca 0.21 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1qry h LYS 57 Cb 0.31 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1qry h LYS 57 CO -0.38 0.34 0.20 0.82 -2.27 0.00 0.00 179.45 178.16 1qry h ILE 58 N 0.06 0.45 -0.00 2.00 1.08 0.93 -1.37 117.51 120.65 1qry h ILE 58 Ca 0.05 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 1qry h ILE 58 Cb 0.21 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1qry h ILE 58 CO -0.00 0.00 -0.07 -0.25 -0.69 0.00 0.00 178.15 177.13 1qry h TRP 59 N 0.00 0.08 -0.63 1.37 7.01 0.29 -3.31 115.95 120.76 1qry h TRP 59 Ca 0.08 -0.04 0.10 0.00 2.11 0.00 0.00 58.89 61.14 1qry h TRP 59 Cb 0.49 -0.01 -0.12 0.00 -2.10 0.00 0.00 29.16 27.42 1qry h TRP 59 CO 0.00 0.81 -0.39 0.74 -2.79 0.00 0.00 178.44 176.81 1qry h PHE 60 N -0.67 -1.12 -0.79 2.65 -1.00 -0.48 0.20 116.94 115.73 1qry h PHE 60 Ca -0.01 0.08 0.18 0.00 2.81 0.00 0.00 57.97 61.03 1qry h PHE 60 Cb 0.83 0.58 -0.15 0.00 3.61 0.00 0.00 35.95 40.82 1qry h PHE 60 CO 0.19 -0.40 -0.13 0.94 -1.61 0.00 0.00 178.31 177.29 1qry n GLN 61 N -5.42 -0.07 -0.27 1.51 -0.06 -1.10 0.36 117.38 112.33 1qry n GLN 61 Ca 0.04 1.21 0.03 0.00 -2.00 0.00 0.00 57.00 56.28 1qry n GLN 61 Cb 0.36 -1.85 0.24 0.00 -4.06 0.00 0.00 30.24 24.93 1qry n GLN 61 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 1qry h ASN 62 N 0.00 0.89 0.00 1.69 -1.24 -0.73 -2.90 115.58 113.30 1qry h ASN 62 Ca 0.41 -0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.28 1qry h ASN 62 Cb 0.70 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 1qry h ASN 62 CO -0.79 0.60 -0.72 0.45 -1.29 0.00 0.00 177.43 175.67 1qry h HIS 63 N 1.02 0.00 -0.67 0.67 3.86 0.66 -3.23 115.15 117.46 1qry h HIS 63 Ca 0.35 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.75 1qry h HIS 63 Cb 0.09 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.43 1qry h HIS 63 CO -0.00 1.27 0.03 -2.13 0.86 0.00 0.00 177.93 177.96 1qry n ARG 64 N -4.51 -0.05 -0.04 2.45 0.00 0.53 0.27 116.66 115.32 1qry n ARG 64 Ca -0.23 1.00 -0.14 0.00 -0.00 0.00 0.00 57.85 58.49 1qry n ARG 64 Cb 0.59 -1.60 -0.09 0.00 0.00 0.00 0.00 32.46 31.36 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 0.38 0.14 -0.14 3.20 -1.65 -3.33 116.97 115.57 1qry h TYR 65 Ca 0.41 -0.15 -0.21 0.00 3.14 0.00 0.00 58.73 61.92 1qry h TYR 65 Cb 0.87 -0.06 0.02 0.00 1.54 0.00 0.00 36.73 39.10 1qry h TYR 65 CO -0.33 0.84 -0.91 0.87 -1.64 0.00 0.00 178.16 176.99 1qry h LYS 66 N -0.20 0.37 0.00 1.82 1.57 0.98 -3.13 116.57 117.98 1qry h LYS 66 Ca -0.01 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1qry h LYS 66 Cb 0.85 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1qry h LYS 66 CO 0.05 1.27 0.70 1.79 -0.57 0.00 0.00 179.45 182.69 1qry h THR 67 N -0.22 0.00 0.16 -0.16 1.35 0.37 3.05 112.91 117.46 1qry h THR 67 Ca -0.15 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.36 1qry h THR 67 Cb 1.70 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1qry h THR 67 CO 0.17 0.00 -1.77 0.11 -0.25 0.00 0.00 175.52 173.78 1qry h LYS 68 N 0.00 0.34 0.00 4.72 1.57 -1.64 -3.29 116.57 118.27 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 1.41 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.94 1qry h LYS 68 CO 0.00 1.25 -0.02 0.00 -0.57 0.00 0.00 179.45 180.11 1qry h ARG 69 N 0.09 0.00 0.12 3.15 2.47 0.54 -2.64 114.38 118.13 1qry h ARG 69 Ca -0.34 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.37 1qry h ARG 69 Cb 2.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.40 1qry h ARG 69 CO 0.16 0.02 -0.06 0.00 0.56 0.00 0.00 179.97 180.65 1qry h ALA 70 N 1.98 -0.17 -0.96 0.04 0.00 -1.51 -2.90 119.26 115.74 1qry h ALA 70 Ca -0.00 -0.16 0.29 0.00 0.00 0.00 0.00 54.91 55.04 1qry h ALA 70 Cb 0.15 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 17.83 1qry h ALA 70 CO 0.00 -0.44 0.21 1.96 0.00 0.00 0.00 179.25 180.98 1qry h GLN 71 N -0.47 0.07 -0.33 0.00 4.20 -1.60 1.88 115.11 118.86 1qry h GLN 71 Ca -0.02 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1qry h GLN 71 Cb 0.38 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1qry h GLN 71 CO 0.03 0.05 -0.02 -0.97 -0.67 0.00 0.00 178.83 177.25 1qry h ASN 72 N 0.08 0.48 -0.36 1.46 -0.00 -1.62 0.49 115.58 116.10 1qry h ASN 72 Ca 0.64 -0.09 -0.20 0.00 -0.00 0.00 0.00 56.30 56.65 1qry h ASN 72 Cb 1.42 -0.13 -0.11 0.00 -0.00 0.00 0.00 38.32 39.51 1qry h ASN 72 CO -0.80 0.57 0.26 -0.62 -0.00 0.00 0.00 177.43 176.83 1qry n GLU 73 N -4.27 1.49 0.16 6.67 1.02 0.63 -4.10 120.64 122.24 1qry n GLU 73 Ca 0.01 -1.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.03 1qry n GLU 73 Cb 0.25 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 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 0.04 0.00 0.00 3.49 3.00 -0.16 -5.00 118.16 119.53 1qry n LYS 74 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 1qry n LYS 74 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.89 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 0.48 1.03 0.00 3.14 0.00 0.15 -4.47 105.19 105.51 1qry n GLY 75 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1qry n GLY 75 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1qry n TYR 76 N 0.00 0.00 0.09 1.61 4.19 -1.26 -4.91 117.16 116.88 1qry n TYR 76 Ca 0.00 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 60.99 1qry n TYR 76 Cb 0.00 0.00 -0.13 0.00 0.49 0.00 0.00 39.34 39.70 1qry n TYR 76 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1qry h GLU 77 N 0.00 0.61 0.00 2.98 5.08 -2.02 -3.50 114.58 117.73 1qry h GLU 77 Ca 0.00 -0.81 0.00 0.00 -1.00 0.00 0.00 59.36 57.55 1qry h GLU 77 Cb 0.00 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1qry h GLU 77 CO 0.00 1.37 0.00 0.41 -1.00 0.00 0.00 179.01 179.79 1qry n GLY 78 N 1.39 0.56 2.62 -3.84 0.00 -1.26 -4.98 105.19 99.67 1qry n GLY 78 Ca -0.14 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.61 1qry n GLY 78 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1qry n HIS 79 N 3.31 -2.61 0.00 1.61 -0.00 -1.26 -4.97 115.22 111.29 1qry n HIS 79 Ca 0.00 -2.21 0.00 0.00 0.46 0.00 0.00 57.72 55.97 1qry n HIS 79 Cb 0.00 1.12 0.00 0.00 -0.12 0.00 0.00 29.99 30.99 1qry n HIS 79 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50