#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qry s SER 2 N 0.00 1.35 0.00 1.61 0.01 -1.26 -5.13 113.70 110.28 1qry s SER 2 Ca 0.00 -1.80 0.00 0.00 1.31 0.00 0.00 55.95 55.46 1qry s SER 2 Cb 0.00 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1qry s SER 2 CO 0.00 -0.25 0.00 1.41 0.41 0.00 0.00 173.24 174.81 1qry n HIS 3 N 4.05 -0.03 -3.15 2.43 -0.00 -1.26 -5.10 115.22 112.16 1qry n HIS 3 Ca 0.13 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.90 1qry n HIS 3 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.42 1qry n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1qry s MET 4 N 0.00 0.34 1.01 -0.41 0.00 -1.26 -5.16 119.30 113.81 1qry s MET 4 Ca 0.00 0.53 -0.15 0.00 0.00 0.00 0.00 55.69 56.06 1qry s MET 4 Cb 0.00 0.28 0.20 0.00 0.00 0.00 0.00 34.83 35.31 1qry s MET 4 CO 0.00 -0.44 1.18 -1.12 0.00 0.00 0.00 175.02 174.63 1qry s SER 5 N 2.91 2.68 -0.17 -1.18 0.01 -1.26 -5.05 113.70 111.64 1qry s SER 5 Ca 0.11 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1qry s SER 5 Cb -0.10 -1.04 0.03 0.00 0.21 0.00 0.00 66.02 65.12 1qry s SER 5 CO -0.18 -3.04 -0.12 -0.62 0.41 0.00 0.00 173.24 169.70 1qry s ASP 6 N -4.21 2.96 0.15 2.44 2.15 -1.26 -5.12 116.67 113.77 1qry s ASP 6 Ca 0.68 -0.65 0.00 0.00 0.43 0.00 0.00 52.55 53.01 1qry s ASP 6 Cb -0.11 -1.16 0.00 0.00 -0.30 0.00 0.00 42.92 41.35 1qry s ASP 6 CO 0.54 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 176.04 1qry n GLY 7 N 4.75 -2.28 2.29 2.66 0.00 -1.26 -4.96 105.19 106.39 1qry n GLY 7 Ca -0.15 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.84 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 0.20 0.17 0.99 4.32 -1.26 -4.92 117.00 116.50 1qry n LEU 8 Ca 0.00 -4.63 0.13 0.00 -0.02 0.00 0.00 56.01 51.49 1qry n LEU 8 Cb 0.00 0.50 0.44 0.00 -1.62 0.00 0.00 43.42 42.74 1qry n LEU 8 CO 0.00 1.99 0.88 1.55 -1.22 0.00 0.00 177.39 180.59 1qry h PRO 9 N 4.63 0.00 0.00 3.23 0.13 -2.03 -3.12 132.00 134.84 1qry h PRO 9 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1qry h PRO 9 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1qry h PRO 9 CO 0.45 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.31 1qry n ASN 10 N -2.58 1.62 0.00 1.44 5.03 -1.26 -5.11 115.26 114.40 1qry n ASN 10 Ca 0.03 -1.65 0.00 0.00 0.87 0.00 0.00 54.58 53.84 1qry n ASN 10 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.13 1qry n ASN 10 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1qry n LYS 11 N -0.32 0.00 -0.86 3.52 4.76 -1.18 -4.53 118.16 119.55 1qry n LYS 11 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 1qry n LYS 11 Cb 0.17 0.00 0.21 0.00 -1.84 0.00 0.00 35.03 33.58 1qry n LYS 11 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1qry s LYS 12 N 0.00 -0.25 -0.98 1.97 1.02 -1.26 -3.98 119.74 116.26 1qry s LYS 12 Ca 0.00 0.68 -0.13 0.00 0.02 0.00 0.00 55.97 56.54 1qry s LYS 12 Cb 0.00 -1.64 0.00 0.00 -0.52 0.00 0.00 37.83 35.67 1qry s LYS 12 CO 0.00 -3.23 0.70 0.54 -0.92 0.00 0.00 175.35 172.44 1qry n ARG 13 N -4.55 -1.18 0.16 1.68 5.12 -1.26 -4.81 116.66 111.82 1qry n ARG 13 Ca 0.04 0.66 0.05 0.00 -1.93 0.00 0.00 57.85 56.68 1qry n ARG 13 Cb 0.56 -3.50 0.50 0.00 -1.16 0.00 0.00 32.46 28.86 1qry n ARG 13 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1qry h LYS 14 N -1.09 0.18 -3.59 5.56 1.57 -1.80 -3.44 116.57 113.96 1qry h LYS 14 Ca -0.56 -0.02 -0.50 0.00 -1.87 0.00 0.00 60.65 57.70 1qry h LYS 14 Cb 1.32 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 33.62 1qry h LYS 14 CO 0.42 0.21 0.24 2.89 -0.57 0.00 0.00 179.45 182.63 1qry n ARG 15 N -4.42 0.00 -3.94 3.15 1.85 -1.26 -4.91 116.66 107.13 1qry n ARG 15 Ca -0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.63 1qry n ARG 15 Cb 0.16 -0.90 -0.04 0.00 -1.05 0.00 0.00 32.46 30.63 1qry n ARG 15 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1qry s ARG 16 N 0.96 2.82 -0.07 2.89 3.52 -1.26 -5.12 118.95 122.68 1qry s ARG 16 Ca 0.59 -1.18 -0.03 0.00 -0.13 0.00 0.00 55.73 54.97 1qry s ARG 16 Cb -0.83 -2.52 0.04 0.00 -1.56 0.00 0.00 34.95 30.08 1qry s ARG 16 CO 0.42 0.23 0.15 0.08 -0.81 0.00 0.00 175.30 175.38 1qry s VAL 17 N -2.23 -0.14 0.54 7.11 1.01 -1.26 -5.16 120.40 120.28 1qry s VAL 17 Ca 0.37 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.65 1qry s VAL 17 Cb -0.07 -0.27 0.04 0.00 0.00 0.00 0.00 36.38 36.09 1qry s VAL 17 CO 0.26 0.10 0.33 0.00 0.00 0.00 0.00 175.10 175.80 1qry n LEU 18 N 4.66 0.00 -3.62 3.92 -0.00 -1.26 -5.15 117.00 115.55 1qry n LEU 18 Ca -0.18 -2.94 -0.15 0.00 -0.00 0.00 0.00 56.01 52.74 1qry n LEU 18 Cb 0.51 0.03 -0.07 0.00 -0.00 0.00 0.00 43.42 43.89 1qry n LEU 18 CO 0.12 -0.56 0.30 -0.36 -0.00 0.00 0.00 177.39 176.89 1qry s PHE 19 N -2.76 -0.56 -0.18 1.47 0.08 -1.26 -5.09 117.98 109.67 1qry s PHE 19 Ca 0.25 1.13 -0.35 0.00 0.12 0.00 0.00 56.93 58.08 1qry s PHE 19 Cb -0.02 0.28 -0.12 0.00 -0.57 0.00 0.00 43.02 42.59 1qry s PHE 19 CO 0.16 -0.46 1.92 0.25 -0.10 0.00 0.00 175.22 176.99 1qry n THR 20 N 1.65 0.45 -0.27 0.64 -2.24 -1.26 -4.65 114.28 108.60 1qry n THR 20 Ca -0.18 -0.14 0.28 0.00 -2.27 0.00 0.00 64.05 61.74 1qry n THR 20 Cb 0.56 -1.73 0.43 0.00 -2.10 0.00 0.00 70.33 67.49 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 6.74 0.01 0.11 -0.78 5.02 -1.26 0.15 118.16 128.15 1qry n LYS 21 Ca 0.27 0.84 -0.04 0.00 -2.02 0.00 0.00 58.31 57.36 1qry n LYS 21 Cb 0.25 -2.06 -0.02 0.00 -0.02 0.00 0.00 35.03 33.18 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 0.51 -0.97 -2.94 7.82 0.00 -1.98 0.28 119.26 121.99 1qry h ALA 22 Ca 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1qry h ALA 22 Cb 2.56 0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.45 1qry h ALA 22 CO -0.01 -0.95 0.00 1.04 0.00 0.00 0.00 179.25 179.34 1qry n GLN 23 N -2.80 0.00 -0.21 0.00 6.02 0.39 0.11 117.38 120.89 1qry n GLN 23 Ca -0.03 0.10 0.19 0.00 -0.01 0.00 0.00 57.00 57.24 1qry n GLN 23 Cb 0.11 -0.59 0.32 0.00 1.02 0.00 0.00 30.24 31.09 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 -0.21 -0.14 0.00 5.09 -1.04 -1.17 0.18 114.28 117.00 1qry n THR 24 Ca 0.00 0.88 0.00 0.00 -2.04 0.00 0.00 64.05 62.89 1qry n THR 24 Cb 0.00 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.06 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 -3.70 0.00 -0.30 -1.42 9.36 0.29 0.20 117.16 121.59 1qry n TYR 25 Ca 0.19 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.45 1qry n TYR 25 Cb 0.73 -0.44 0.12 0.00 -0.63 0.00 0.00 39.34 39.12 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 0.01 -0.63 2.98 4.39 0.54 2.44 114.58 124.31 1qry h GLU 26 Ca 0.00 -0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 1qry h GLU 26 Cb 0.00 -0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.54 1qry h GLU 26 CO 0.00 0.00 -0.06 1.25 -1.16 0.00 0.00 179.01 179.04 1qry h LEU 27 N 0.01 -0.41 -0.14 1.33 6.46 0.19 0.17 115.31 122.91 1qry h LEU 27 Ca 0.42 0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 58.34 1qry h LEU 27 Cb 0.66 0.33 -0.01 0.00 -0.73 0.00 0.00 40.66 40.91 1qry h LEU 27 CO -0.88 -0.16 0.03 -0.33 -0.62 0.00 0.00 178.44 176.48 1qry h GLU 28 N 0.06 0.23 -1.05 1.25 4.39 1.57 -2.14 114.58 118.89 1qry h GLU 28 Ca 0.32 -0.06 0.28 0.00 0.34 0.00 0.00 59.36 60.24 1qry h GLU 28 Cb 0.52 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.06 1qry h GLU 28 CO -0.59 0.39 0.71 0.00 -1.16 0.00 0.00 179.01 178.36 1qry h ARG 29 N 0.03 0.26 -0.22 2.33 3.08 0.33 0.58 114.38 120.76 1qry h ARG 29 Ca 0.04 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1qry h ARG 29 Cb 0.27 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1qry h ARG 29 CO 0.00 0.17 0.12 -0.09 -1.07 0.00 0.00 179.97 179.11 1qry h ARG 30 N 0.27 0.31 -0.98 0.04 1.12 -0.12 -1.07 114.38 113.94 1qry h ARG 30 Ca 0.57 -0.04 0.22 0.00 -1.11 0.00 0.00 59.98 59.62 1qry h ARG 30 Cb 1.68 -0.06 -0.12 0.00 -0.01 0.00 0.00 29.97 31.47 1qry h ARG 30 CO -0.20 0.28 0.57 0.35 -3.11 0.00 0.00 179.97 177.86 1qry h PHE 31 N 0.25 0.98 0.28 2.20 3.04 0.28 1.98 116.94 125.95 1qry h PHE 31 Ca 0.08 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 1qry h PHE 31 Cb 0.06 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.29 1qry h PHE 31 CO -0.04 0.11 -0.13 0.00 -2.02 0.00 0.00 178.31 176.23 1qry h ARG 32 N 0.62 -0.36 0.07 1.11 -0.00 -1.02 -3.25 114.38 111.56 1qry h ARG 32 Ca 0.61 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 60.11 1qry h ARG 32 Cb 1.07 0.08 -0.01 0.00 0.00 0.00 0.00 29.97 31.12 1qry h ARG 32 CO -0.45 -0.02 -0.07 1.96 0.00 0.00 0.00 179.97 181.39 1qry h GLN 33 N -0.80 -0.16 0.00 0.04 1.08 0.07 -3.43 115.11 111.91 1qry h GLN 33 Ca -0.04 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1qry h GLN 33 Cb 0.51 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1qry h GLN 33 CO 0.06 -0.10 0.00 0.94 -0.95 0.00 0.00 178.83 178.78 1qry n GLN 34 N -5.18 3.73 0.00 1.46 -0.06 0.66 -5.07 117.38 112.91 1qry n GLN 34 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.93 1qry n GLN 34 Cb 0.11 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.29 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 -3.05 3.69 1.85 -1.24 -4.68 116.66 113.23 1qry n ARG 35 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.61 1qry n ARG 35 Cb 0.00 0.00 -0.04 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 -2.18 2.50 -0.86 2.89 0.18 -1.26 -4.98 117.16 113.46 1qry n TYR 36 Ca 0.00 -3.93 -0.33 0.00 1.88 0.00 0.00 57.90 55.52 1qry n TYR 36 Cb 0.00 -0.46 -0.04 0.00 -0.38 0.00 0.00 39.34 38.46 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 0.00 -0.11 0.00 -3.48 4.32 -1.26 -4.91 117.00 111.56 1qry n LEU 37 Ca 0.29 0.67 0.00 0.00 -0.02 0.00 0.00 56.01 56.94 1qry n LEU 37 Cb 0.50 -0.53 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 1qry n LEU 37 CO 0.29 -1.20 0.00 -1.54 -1.22 0.00 0.00 177.39 173.72 1qry n SER 38 N 0.91 0.00 0.03 -1.43 3.41 -1.26 -4.71 113.62 110.56 1qry n SER 38 Ca 0.11 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.56 1qry n SER 38 Cb 0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.87 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 0.43 0.00 7.33 0.00 -1.98 -2.47 119.26 123.57 1qry h ALA 39 Ca 0.00 -1.26 -0.17 0.00 0.00 0.00 0.00 54.91 53.48 1qry h ALA 39 Cb 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1qry h ALA 39 CO 0.00 1.29 -1.28 -1.00 0.00 0.00 0.00 179.25 178.26 1qry h PRO 40 N 0.05 0.00 0.00 0.00 0.13 -1.99 -3.30 132.00 126.89 1qry h PRO 40 Ca -0.30 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 1qry h PRO 40 Cb 2.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 33.14 1qry h PRO 40 CO 0.12 0.36 -0.53 0.93 -0.23 0.00 0.00 178.00 178.65 1qry h GLU 41 N 0.00 0.00 -0.95 0.86 3.07 -1.93 -3.35 114.58 112.29 1qry h GLU 41 Ca -0.14 0.00 0.18 0.00 -0.50 0.00 0.00 59.36 58.89 1qry h GLU 41 Cb 1.59 0.00 -0.17 0.00 -0.84 0.00 0.00 28.75 29.33 1qry h GLU 41 CO 0.05 0.59 -0.29 0.00 -1.40 0.00 0.00 179.01 177.96 1qry h ARG 42 N -1.00 -0.01 -0.78 2.33 3.08 -1.63 2.05 114.38 118.42 1qry h ARG 42 Ca -0.12 0.00 0.30 0.00 0.07 0.00 0.00 59.98 60.24 1qry h ARG 42 Cb 0.80 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.74 1qry h ARG 42 CO -0.07 -0.01 0.46 0.39 -1.07 0.00 0.00 179.97 179.67 1qry n GLU 43 N -5.56 -0.03 0.21 0.04 -0.58 -1.24 0.26 120.64 113.73 1qry n GLU 43 Ca 0.13 0.91 -0.15 0.00 -0.42 0.00 0.00 57.16 57.63 1qry n GLU 43 Cb 0.45 -1.68 -0.07 0.00 -0.57 0.00 0.00 31.44 29.56 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 -0.61 0.43 -0.32 2.76 0.32 -2.42 115.15 115.31 1qry h HIS 44 Ca 0.59 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.74 1qry h HIS 44 Cb 1.68 0.22 -0.02 0.00 1.55 0.00 0.00 27.41 30.85 1qry h HIS 44 CO -0.01 -0.35 -0.42 1.25 -1.30 0.00 0.00 177.93 177.10 1qry h LEU 45 N -0.55 -1.15 0.00 0.26 7.12 0.34 -0.19 115.31 121.14 1qry h LEU 45 Ca -0.03 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.07 1qry h LEU 45 Cb 0.47 0.38 0.00 0.00 -0.53 0.00 0.00 40.66 40.98 1qry h LEU 45 CO 0.01 -0.56 0.81 0.35 -0.13 0.00 0.00 178.44 178.92 1qry n THR 46 N -4.96 0.00 0.02 1.05 -2.24 -0.43 0.44 114.28 108.16 1qry n THR 46 Ca -0.10 0.81 -0.15 0.00 -2.27 0.00 0.00 64.05 62.34 1qry n THR 46 Cb 0.38 -1.76 -0.14 0.00 -2.10 0.00 0.00 70.33 66.71 1qry n THR 46 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1qry h SER 47 N 0.00 0.25 0.00 3.42 0.87 -0.52 -3.27 113.55 114.29 1qry h SER 47 Ca 0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1qry h SER 47 Cb 1.62 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1qry h SER 47 CO 0.00 1.38 0.00 0.18 -0.53 0.00 0.00 176.83 177.86 1qry n LEU 48 N -3.33 0.87 -1.93 2.23 7.99 1.52 -4.48 117.00 119.87 1qry n LEU 48 Ca -0.19 0.02 -0.19 0.00 -0.01 0.00 0.00 56.01 55.65 1qry n LEU 48 Cb 1.04 0.00 0.13 0.00 -0.11 0.00 0.00 43.42 44.48 1qry n LEU 48 CO 0.47 0.00 1.11 2.30 -1.51 0.00 0.00 177.39 179.76 1qry n ILE 49 N -0.17 2.69 -1.90 -0.08 -0.00 -1.16 -4.93 119.36 113.81 1qry n ILE 49 Ca 0.00 -1.51 0.00 0.00 -0.00 0.00 0.00 62.75 61.24 1qry n ILE 49 Cb 0.00 -0.67 0.00 0.00 -0.00 0.00 0.00 39.64 38.97 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 -0.68 -0.00 -1.16 6.28 3.00 -1.24 -4.73 116.66 118.14 1qry n ARG 50 Ca 0.45 -0.00 -0.20 0.00 -0.01 0.00 0.00 57.85 58.08 1qry n ARG 50 Cb 1.30 0.00 0.17 0.00 0.00 0.00 0.00 32.46 33.92 1qry n ARG 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1qry n LEU 51 N -0.38 6.14 -1.69 0.55 4.77 -1.26 -5.00 117.00 120.14 1qry n LEU 51 Ca 0.00 -3.79 0.00 0.00 -0.03 0.00 0.00 56.01 52.19 1qry n LEU 51 Cb 0.00 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1qry n LEU 51 CO 0.00 1.20 -0.26 0.35 -1.33 0.00 0.00 177.39 177.35 1qry n THR 52 N -1.10 -3.05 0.00 -5.08 -2.24 -1.26 -2.32 114.28 99.23 1qry n THR 52 Ca 0.53 1.41 0.00 0.00 -2.27 0.00 0.00 64.05 63.72 1qry n THR 52 Cb 1.36 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 1qry n THR 52 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1qry n PRO 53 N 0.34 0.00 -0.33 -0.78 -0.04 -1.26 0.04 135.00 132.96 1qry n PRO 53 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1qry n PRO 53 Cb 0.00 -0.42 -0.04 0.00 -0.04 0.00 0.00 33.50 33.00 1qry n PRO 53 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1qry n THR 54 N 0.00 -0.52 -0.34 0.52 -1.04 -1.26 0.18 114.28 111.82 1qry n THR 54 Ca 0.00 1.96 0.02 0.00 -2.04 0.00 0.00 64.05 63.99 1qry n THR 54 Cb 0.00 -2.48 0.08 0.00 -1.82 0.00 0.00 70.33 66.11 1qry n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qry n GLN 55 N -5.08 -0.16 -0.17 -2.82 1.13 -0.92 0.23 117.38 109.60 1qry n GLN 55 Ca 0.04 1.41 -0.02 0.00 -1.94 0.00 0.00 57.00 56.49 1qry n GLN 55 Cb 0.25 -2.10 0.05 0.00 0.11 0.00 0.00 30.24 28.54 1qry n GLN 55 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1qry h VAL 56 N 0.00 0.51 0.95 5.09 2.07 0.57 0.49 116.25 125.94 1qry h VAL 56 Ca 0.37 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.83 1qry h VAL 56 Cb 0.60 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1qry h VAL 56 CO -0.92 0.00 -0.47 0.50 0.02 0.00 0.00 177.57 176.71 1qry h LYS 57 N 0.02 -1.24 -1.27 1.57 3.64 0.35 -0.59 116.57 119.05 1qry h LYS 57 Ca 0.25 0.08 0.37 0.00 -1.27 0.00 0.00 60.65 60.09 1qry h LYS 57 Cb 0.39 0.28 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 1qry h LYS 57 CO -0.51 -0.83 1.05 0.82 -2.27 0.00 0.00 179.45 177.71 1qry h ILE 58 N -1.29 0.19 0.17 2.00 1.08 0.30 1.47 117.51 121.43 1qry h ILE 58 Ca -0.13 0.00 -0.31 0.00 -0.39 0.00 0.00 64.86 64.03 1qry h ILE 58 Cb 0.99 0.23 0.03 0.00 -3.07 0.00 0.00 36.82 35.00 1qry h ILE 58 CO 0.21 0.00 -1.33 -0.25 -0.69 0.00 0.00 178.15 176.09 1qry h TRP 59 N 0.00 0.96 -0.11 1.37 7.01 0.38 -3.31 115.95 122.25 1qry h TRP 59 Ca 0.60 -0.64 0.04 0.00 2.11 0.00 0.00 58.89 61.00 1qry h TRP 59 Cb 2.70 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 29.66 1qry h TRP 59 CO 0.00 1.49 -0.13 0.74 -2.79 0.00 0.00 178.44 177.75 1qry h PHE 60 N 0.21 -0.33 -0.82 2.65 -1.00 0.35 -2.62 116.94 115.38 1qry h PHE 60 Ca -0.21 0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.66 1qry h PHE 60 Cb 2.01 0.16 -0.10 0.00 3.61 0.00 0.00 35.95 41.64 1qry h PHE 60 CO 0.11 -0.19 -0.48 0.94 -1.61 0.00 0.00 178.31 177.08 1qry n GLN 61 N -5.27 -0.36 -0.32 1.51 -0.06 -0.80 0.43 117.38 112.51 1qry n GLN 61 Ca -0.03 1.32 0.13 0.00 -2.00 0.00 0.00 57.00 56.42 1qry n GLN 61 Cb 0.19 -1.95 0.31 0.00 -4.06 0.00 0.00 30.24 24.73 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 0.51 0.00 1.69 -0.00 -1.59 -2.05 115.58 114.13 1qry h ASN 62 Ca 0.13 0.13 -0.03 0.00 -0.00 0.00 0.00 56.30 56.53 1qry h ASN 62 Cb 0.34 0.06 -0.00 0.00 -0.00 0.00 0.00 38.32 38.71 1qry h ASN 62 CO -0.77 0.11 -0.37 0.45 -0.00 0.00 0.00 177.43 176.85 1qry h HIS 63 N 0.54 0.00 -0.62 0.67 3.86 0.20 -3.01 115.15 116.79 1qry h HIS 63 Ca 0.56 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.86 1qry h HIS 63 Cb 0.98 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.36 1qry h HIS 63 CO -0.08 0.33 -0.26 -2.13 0.86 0.00 0.00 177.93 176.64 1qry n ARG 64 N -4.65 -0.17 -0.07 2.45 0.00 1.49 0.44 116.66 116.15 1qry n ARG 64 Ca -0.08 0.96 -0.13 0.00 -0.00 0.00 0.00 57.85 58.59 1qry n ARG 64 Cb 0.25 -1.42 -0.06 0.00 0.00 0.00 0.00 32.46 31.24 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 0.59 0.14 -0.14 5.03 -1.54 -3.30 116.97 117.75 1qry h TYR 65 Ca 0.20 -0.18 -0.20 0.00 2.58 0.00 0.00 58.73 61.13 1qry h TYR 65 Cb 0.35 -0.12 0.02 0.00 1.55 0.00 0.00 36.73 38.53 1qry h TYR 65 CO -0.56 0.85 -0.87 -0.22 -1.32 0.00 0.00 178.16 176.04 1qry h LYS 66 N 0.16 0.35 0.00 1.82 3.11 0.56 -3.14 116.57 119.43 1qry h LYS 66 Ca 0.03 -0.56 0.00 0.00 -2.81 0.00 0.00 60.65 57.31 1qry h LYS 66 Cb 0.76 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.19 1qry h LYS 66 CO 0.05 1.25 0.74 1.79 -2.81 0.00 0.00 179.45 180.48 1qry h THR 67 N -0.27 0.00 0.09 1.00 1.35 0.91 1.32 112.91 117.31 1qry h THR 67 Ca -0.15 0.00 -0.27 0.00 -0.55 0.00 0.00 66.41 65.45 1qry h THR 67 Cb 1.67 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1qry h THR 67 CO 0.17 0.00 -1.39 0.11 -0.25 0.00 0.00 175.52 174.15 1qry h LYS 68 N 0.00 0.19 -0.23 4.72 1.57 -1.62 -3.34 116.57 117.86 1qry h LYS 68 Ca 0.00 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.40 1qry h LYS 68 Cb 1.48 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.90 1qry h LYS 68 CO 0.00 1.15 -0.12 0.00 -0.57 0.00 0.00 179.45 179.91 1qry h ARG 69 N -0.43 0.38 0.15 3.15 -0.00 0.16 -3.05 114.38 114.73 1qry h ARG 69 Ca -0.31 -0.10 0.02 0.00 -0.50 0.00 0.00 59.98 59.09 1qry h ARG 69 Cb 1.67 -0.05 -0.04 0.00 0.00 0.00 0.00 29.97 31.55 1qry h ARG 69 CO 0.01 0.50 -0.39 0.00 0.00 0.00 0.00 179.97 180.09 1qry h ALA 70 N 1.53 -0.71 -0.97 0.04 0.00 -1.30 -2.04 119.26 115.82 1qry h ALA 70 Ca 0.07 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.07 1qry h ALA 70 Cb 0.43 0.65 -0.17 0.00 0.00 0.00 0.00 17.79 18.70 1qry h ALA 70 CO 0.02 -0.96 -0.32 1.96 0.00 0.00 0.00 179.25 179.95 1qry h GLN 71 N -0.64 -0.01 -0.25 0.00 4.20 -1.65 2.10 115.11 118.87 1qry h GLN 71 Ca 0.02 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.76 1qry h GLN 71 Cb 0.66 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1qry h GLN 71 CO -0.21 -0.01 0.17 -0.97 -0.67 0.00 0.00 178.83 177.14 1qry h ASN 72 N -0.01 0.17 -0.25 1.46 -0.00 -1.48 1.27 115.58 116.74 1qry h ASN 72 Ca 0.39 -0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.69 1qry h ASN 72 Cb 0.65 -0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.92 1qry h ASN 72 CO -0.98 0.12 0.00 1.21 -0.00 0.00 0.00 177.43 177.78 1qry n GLU 73 N -4.49 1.91 0.01 6.67 2.13 0.69 -4.30 120.64 123.24 1qry n GLU 73 Ca 0.02 -1.04 0.00 0.00 0.66 0.00 0.00 57.16 56.80 1qry n GLU 73 Cb 0.18 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.48 1qry n GLU 73 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1qry n LYS 74 N 0.27 0.00 0.00 5.31 3.00 0.36 -5.03 118.16 122.08 1qry n LYS 74 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 1qry n LYS 74 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 35.03 35.36 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 2.86 1.11 1.24 3.14 0.00 0.29 -5.06 105.19 108.76 1qry n GLY 75 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.24 -0.34 -1.31 1.61 9.36 -1.26 -4.57 117.16 120.41 1qry n TYR 76 Ca 0.00 0.06 0.16 0.00 3.32 0.00 0.00 57.90 61.44 1qry n TYR 76 Cb 0.00 0.12 -0.05 0.00 -0.63 0.00 0.00 39.34 38.78 1qry n TYR 76 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1qry n GLU 77 N -3.08 -2.67 0.00 2.98 -0.58 -1.26 -4.90 120.64 111.13 1qry n GLU 77 Ca 0.00 1.93 0.00 0.00 -0.42 0.00 0.00 57.16 58.67 1qry n GLU 77 Cb 0.00 -3.25 0.00 0.00 -0.57 0.00 0.00 31.44 27.62 1qry n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qry n GLY 78 N -3.92 1.02 3.91 0.62 0.00 -1.26 -4.68 105.19 100.88 1qry n GLY 78 Ca -0.02 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 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 0.00 -1.62 0.00 1.61 -0.00 -1.26 -5.29 115.22 108.66 1qry n HIS 79 Ca 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 57.72 58.04 1qry n HIS 79 Cb 0.00 -3.15 0.00 0.00 -0.00 0.00 0.00 29.99 26.84 1qry n HIS 79 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99