#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkx n SER 2 N 0.00 -3.75 -4.43 1.61 2.88 -1.26 -4.98 113.62 103.69 2dkx n SER 2 Ca 0.00 -0.27 -0.44 0.00 -1.33 0.00 0.00 58.87 56.83 2dkx n SER 2 Cb 0.00 -2.74 -0.05 0.00 -0.75 0.00 0.00 64.21 60.67 2dkx n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dkx s SER 3 N -3.26 6.21 0.00 -3.46 0.01 -1.26 -4.08 113.70 107.86 2dkx s SER 3 Ca 0.23 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.43 2dkx s SER 3 Cb -0.10 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2dkx s SER 3 CO 0.36 -1.13 0.00 0.61 0.41 0.00 0.00 173.24 173.49 2dkx n GLY 4 N 5.24 3.93 3.61 3.44 0.00 -1.26 -5.08 105.19 115.07 2dkx n GLY 4 Ca -0.06 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 2dkx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dkx s SER 5 N -0.00 6.23 0.40 1.61 0.15 -1.26 -4.98 113.70 115.85 2dkx s SER 5 Ca 0.00 1.33 -0.25 0.00 0.70 0.00 0.00 55.95 57.73 2dkx s SER 5 Cb 0.00 -2.53 -0.08 0.00 -1.71 0.00 0.00 66.02 61.69 2dkx s SER 5 CO 0.00 -1.43 1.14 -0.55 1.20 0.00 0.00 173.24 173.59 2dkx s SER 6 N 4.69 6.56 0.00 5.45 0.15 -1.26 -4.60 113.70 124.69 2dkx s SER 6 Ca 0.71 2.26 0.00 0.00 0.70 0.00 0.00 55.95 59.62 2dkx s SER 6 Cb -0.21 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 2dkx s SER 6 CO 0.31 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2dkx n GLY 7 N 0.56 0.08 0.08 9.45 0.00 -1.26 -4.92 105.19 109.18 2dkx n GLY 7 Ca 0.05 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.38 2dkx n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2dkx n LEU 8 N 0.00 0.65 -0.38 0.99 -0.00 -1.26 -3.75 117.00 113.25 2dkx n LEU 8 Ca 0.00 0.56 0.38 0.00 -0.00 0.00 0.00 56.01 56.95 2dkx n LEU 8 Cb 0.00 -0.36 0.70 0.00 -0.00 0.00 0.00 43.42 43.76 2dkx n LEU 8 CO 0.00 -0.15 1.35 0.11 -0.00 0.00 0.00 177.39 178.70 2dkx h LYS 9 N 0.00 0.00 0.00 1.47 1.79 -1.91 1.58 116.57 119.50 2dkx h LYS 9 Ca 0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 2dkx h LYS 9 Cb 0.69 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.29 2dkx h LYS 9 CO 0.00 0.00 -1.63 -0.25 -1.08 0.00 0.00 179.45 176.49 2dkx n ASP 10 N -3.80 0.87 0.03 0.86 8.00 -1.25 -4.13 116.55 117.13 2dkx n ASP 10 Ca 0.29 0.41 -0.12 0.00 0.71 0.00 0.00 54.79 56.09 2dkx n ASP 10 Cb 1.51 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 42.54 2dkx n ASP 10 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2dkx h ILE 11 N 0.00 1.00 -0.96 0.53 2.04 0.21 -2.46 117.51 117.87 2dkx h ILE 11 Ca -0.25 -0.01 0.14 0.00 1.00 0.00 0.00 64.86 65.73 2dkx h ILE 11 Cb 1.91 0.96 -0.08 0.00 -0.74 0.00 0.00 36.82 38.87 2dkx h ILE 11 CO 0.07 0.01 0.61 1.05 0.00 0.00 0.00 178.15 179.88 2dkx h GLU 12 N 0.03 0.82 0.00 2.37 4.11 -1.59 0.28 114.58 120.60 2dkx h GLU 12 Ca 0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 2dkx h GLU 12 Cb 0.00 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 2dkx h GLU 12 CO -0.01 0.54 -0.04 1.15 0.07 0.00 0.00 179.01 180.71 2dkx h THR 13 N 0.84 0.29 0.00 -1.06 2.02 -1.60 -0.72 112.91 112.68 2dkx h THR 13 Ca 0.49 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.39 2dkx h THR 13 Cb 0.64 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2dkx h THR 13 CO -0.26 0.04 -0.77 0.00 0.37 0.00 0.00 175.52 174.91 2dkx n ALA 14 N -2.19 3.42 0.92 6.16 0.00 0.92 -3.85 120.51 125.89 2dkx n ALA 14 Ca -0.02 -0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.16 2dkx n ALA 14 Cb 0.17 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 2dkx n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkx h LYS 16 N 0.00 -0.14 0.00 0.00 1.57 -1.47 0.18 116.57 116.71 2dkx h LYS 16 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2dkx h LYS 16 Cb 0.54 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2dkx h LYS 16 CO 0.00 0.34 0.00 1.47 -0.57 0.00 0.00 179.45 180.69 2dkx n LEU 17 N -4.89 0.00 -0.04 2.94 -0.00 -1.26 -2.87 117.00 110.88 2dkx n LEU 17 Ca -0.08 0.49 0.02 0.00 -0.00 0.00 0.00 56.01 56.44 2dkx n LEU 17 Cb 0.28 -0.49 -0.16 0.00 -0.00 0.00 0.00 43.42 43.05 2dkx n LEU 17 CO 0.29 -0.10 -0.88 0.18 -0.00 0.00 0.00 177.39 176.88 2dkx n LEU 18 N -1.49 0.05 -2.20 1.47 4.77 -1.20 -5.00 117.00 113.41 2dkx n LEU 18 Ca 0.06 0.02 -0.16 0.00 -0.03 0.00 0.00 56.01 55.90 2dkx n LEU 18 Cb 0.27 0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.57 2dkx n LEU 18 CO 0.21 0.20 -0.04 -3.20 -1.33 0.00 0.00 177.39 173.23 2dkx n ASN 19 N -2.48 -4.92 -3.37 -1.43 4.05 0.62 -5.01 115.26 102.72 2dkx n ASN 19 Ca -0.15 -0.17 -0.15 0.00 0.45 0.00 0.00 54.58 54.55 2dkx n ASN 19 Cb 0.81 -3.83 -0.02 0.00 1.23 0.00 0.00 39.78 37.96 2dkx n ASN 19 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 2dkx n ILE 20 N -4.16 0.00 -3.65 -1.44 -5.35 -1.04 -5.06 119.36 98.66 2dkx n ILE 20 Ca -0.11 -1.17 -0.35 0.00 -0.27 0.00 0.00 62.75 60.85 2dkx n ILE 20 Cb 0.60 0.09 -0.06 0.00 -1.74 0.00 0.00 39.64 38.53 2dkx n ILE 20 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2dkx s THR 21 N -1.75 5.19 0.51 7.28 -1.32 -1.26 -4.82 115.64 119.47 2dkx s THR 21 Ca 0.05 0.41 0.21 0.00 -1.21 0.00 0.00 61.69 61.15 2dkx s THR 21 Cb -0.00 -3.61 0.36 0.00 -1.51 0.00 0.00 72.50 67.74 2dkx s THR 21 CO 0.03 0.40 2.02 0.00 -2.21 0.00 0.00 174.62 174.86 2dkx h ALA 22 N 4.11 2.32 -2.19 11.08 0.00 -1.95 -3.40 119.26 129.23 2dkx h ALA 22 Ca -0.50 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 53.82 2dkx h ALA 22 Cb 1.20 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2dkx h ALA 22 CO 0.65 -0.44 0.65 0.34 0.00 0.00 0.00 179.25 180.44 2dkx s ASP 23 N -6.38 7.10 0.25 0.00 -1.08 -1.26 -4.85 116.67 110.45 2dkx s ASP 23 Ca -0.06 1.36 0.02 0.00 -0.52 0.00 0.00 52.55 53.36 2dkx s ASP 23 Cb 0.19 -2.52 0.31 0.00 -1.46 0.00 0.00 42.92 39.44 2dkx s ASP 23 CO 0.72 -0.56 1.63 1.55 0.52 0.00 0.00 175.17 179.03 2dkx h PRO 24 N 7.35 0.39 0.00 4.34 0.13 -1.87 -2.66 132.00 139.69 2dkx h PRO 24 Ca -0.24 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2dkx h PRO 24 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2dkx h PRO 24 CO 0.91 0.76 0.00 -1.33 -0.23 0.00 0.00 178.00 178.11 2dkx n MET 25 N -4.00 0.21 0.00 0.86 2.81 -1.25 -1.61 117.12 114.14 2dkx n MET 25 Ca -0.02 0.15 0.07 0.00 -1.81 0.00 0.00 57.70 56.09 2dkx n MET 25 Cb 0.52 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.48 2dkx n MET 25 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2dkx n ASP 26 N -1.28 0.99 -4.52 7.83 8.00 -1.01 -3.13 116.55 123.43 2dkx n ASP 26 Ca 0.07 -1.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.17 2dkx n ASP 26 Cb 0.11 0.82 -0.08 0.00 -0.02 0.00 0.00 41.12 41.95 2dkx n ASP 26 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2dkx n TRP 27 N -0.93 1.17 -3.50 1.24 8.01 -0.63 -4.84 117.44 117.95 2dkx n TRP 27 Ca 0.04 0.23 -0.10 0.00 -1.31 0.00 0.00 57.50 56.37 2dkx n TRP 27 Cb 0.26 -2.53 -0.02 0.00 -2.01 0.00 0.00 31.31 27.01 2dkx n TRP 27 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 2dkx s SER 28 N 10.28 -0.44 0.27 -0.99 0.01 -1.26 -1.08 113.70 120.48 2dkx s SER 28 Ca 1.13 -0.06 0.04 0.00 1.31 0.00 0.00 55.95 58.37 2dkx s SER 28 Cb -0.66 0.51 0.36 0.00 0.21 0.00 0.00 66.02 66.43 2dkx s SER 28 CO 0.38 -0.84 1.65 1.55 0.41 0.00 0.00 173.24 176.39 2dkx h PRO 29 N 2.00 0.31 -0.60 12.44 0.13 -2.03 -3.38 132.00 140.88 2dkx h PRO 29 Ca -0.27 -0.16 -0.35 0.00 -0.87 0.00 0.00 66.00 64.34 2dkx h PRO 29 Cb 1.27 0.01 -0.41 0.00 0.13 0.00 0.00 31.00 32.00 2dkx h PRO 29 CO 0.33 0.71 -1.02 0.45 -0.23 0.00 0.00 178.00 178.23 2dkx n SER 30 N -3.99 2.66 -0.10 1.44 2.88 -1.26 -4.86 113.62 110.38 2dkx n SER 30 Ca -0.02 -2.63 -0.04 0.00 -1.33 0.00 0.00 58.87 54.85 2dkx n SER 30 Cb 0.52 -0.44 0.17 0.00 -0.75 0.00 0.00 64.21 63.70 2dkx n SER 30 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2dkx h ASN 31 N 2.51 0.75 -0.94 -3.46 -0.26 -1.74 -3.06 115.58 109.37 2dkx h ASN 31 Ca 0.03 -0.18 0.22 0.00 -0.56 0.00 0.00 56.30 55.81 2dkx h ASN 31 Cb 1.33 -0.20 -0.18 0.00 -1.06 0.00 0.00 38.32 38.22 2dkx h ASN 31 CO 0.39 0.82 -0.11 0.58 -1.06 0.00 0.00 177.43 178.05 2dkx h VAL 32 N 0.73 0.07 -0.91 2.81 2.07 -1.89 0.61 116.25 119.74 2dkx h VAL 32 Ca 0.14 -0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.91 2dkx h VAL 32 Cb 0.44 0.06 -0.14 0.00 -1.52 0.00 0.00 31.29 30.13 2dkx h VAL 32 CO 0.02 0.00 0.35 1.56 0.02 0.00 0.00 177.57 179.52 2dkx h GLN 33 N 0.01 0.28 0.46 1.57 1.08 -1.89 -0.26 115.11 116.36 2dkx h GLN 33 Ca 0.50 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.66 2dkx h GLN 33 Cb 0.89 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 2dkx h GLN 33 CO -0.92 0.18 -0.22 0.87 -0.95 0.00 0.00 178.83 177.79 2dkx h LYS 34 N 0.29 -0.59 0.00 1.46 1.57 0.05 -1.59 116.57 117.75 2dkx h LYS 34 Ca 0.59 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 2dkx h LYS 34 Cb 1.21 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.66 2dkx h LYS 34 CO -0.61 -0.33 0.16 2.35 -0.57 0.00 0.00 179.45 180.45 2dkx h TRP 35 N -0.75 0.00 0.00 -1.35 7.01 -0.92 -1.40 115.95 118.54 2dkx h TRP 35 Ca -0.06 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.94 2dkx h TRP 35 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.60 2dkx h TRP 35 CO -0.01 0.00 0.00 1.28 -2.79 0.00 0.00 178.44 176.92 2dkx n LEU 36 N -2.70 0.01 0.25 0.65 4.77 -0.26 -3.68 117.00 116.04 2dkx n LEU 36 Ca -0.02 0.43 0.14 0.00 -0.03 0.00 0.00 56.01 56.54 2dkx n LEU 36 Cb 0.21 -0.50 0.64 0.00 -2.33 0.00 0.00 43.42 41.44 2dkx n LEU 36 CO 0.14 -0.50 1.12 0.17 -1.33 0.00 0.00 177.39 176.99 2dkx h LEU 37 N 0.00 0.00 0.00 2.23 8.10 -1.18 0.37 115.31 124.83 2dkx h LEU 37 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2dkx h LEU 37 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 2dkx h LEU 37 CO 0.00 0.00 0.00 1.87 -4.11 0.00 0.00 178.44 176.20 2dkx n TRP 38 N -3.00 0.00 0.04 0.17 -0.00 -0.54 -3.23 117.44 110.88 2dkx n TRP 38 Ca 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.46 2dkx n TRP 38 Cb 0.60 -0.34 0.13 0.00 -0.00 0.00 0.00 31.31 31.71 2dkx n TRP 38 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 177.69 178.84 2dkx h THR 39 N 0.00 1.32 -0.93 5.87 2.02 -1.54 -2.96 112.91 116.69 2dkx h THR 39 Ca 0.00 -1.66 0.27 0.00 0.77 0.00 0.00 66.41 65.79 2dkx h THR 39 Cb 0.00 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.07 2dkx h THR 39 CO 0.00 0.51 0.78 -0.08 0.37 0.00 0.00 175.52 177.09 2dkx h GLU 40 N 0.34 0.00 0.00 6.66 4.81 -0.40 1.23 114.58 127.21 2dkx h GLU 40 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2dkx h GLU 40 Cb 0.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.32 2dkx h GLU 40 CO 0.08 0.00 -1.24 1.58 -0.73 0.00 0.00 179.01 178.70 2dkx n HIS 41 N -3.92 0.58 1.04 0.92 -0.00 -1.12 0.21 115.22 112.92 2dkx n HIS 41 Ca 0.20 0.17 0.12 0.00 0.46 0.00 0.00 57.72 58.67 2dkx n HIS 41 Cb 1.09 -0.73 0.33 0.00 -0.12 0.00 0.00 29.99 30.56 2dkx n HIS 41 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2dkx n GLN 42 N -2.41 0.10 0.00 1.57 6.02 0.40 -3.87 117.38 119.19 2dkx n GLN 42 Ca -0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2dkx n GLN 42 Cb 0.53 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.29 2dkx n GLN 42 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2dkx n TYR 43 N -1.41 0.00 -3.39 1.08 4.02 0.09 -5.02 117.16 112.54 2dkx n TYR 43 Ca 0.07 -0.04 -0.19 0.00 -0.01 0.00 0.00 57.90 57.73 2dkx n TYR 43 Cb 0.33 -0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.73 2dkx n TYR 43 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2dkx n ARG 44 N -0.04 -6.59 -3.23 -0.72 5.12 -0.99 -5.00 116.66 105.21 2dkx n ARG 44 Ca 0.00 0.75 -0.28 0.00 -1.93 0.00 0.00 57.85 56.39 2dkx n ARG 44 Cb 0.11 -5.53 -0.03 0.00 -1.16 0.00 0.00 32.46 25.85 2dkx n ARG 44 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2dkx s LEU 45 N -6.30 4.00 1.02 0.55 1.43 0.13 -5.02 118.68 114.48 2dkx s LEU 45 Ca 0.28 0.77 -0.13 0.00 -1.03 0.00 0.00 54.13 54.02 2dkx s LEU 45 Cb -0.12 -3.60 0.20 0.00 0.03 0.00 0.00 46.19 42.69 2dkx s LEU 45 CO 0.65 -0.25 1.09 -2.16 0.23 0.00 0.00 176.35 175.91 2dkx s PRO 46 N -3.72 0.24 -0.57 1.29 0.04 -1.26 -4.75 135.00 126.26 2dkx s PRO 46 Ca 0.45 0.46 -0.27 0.00 0.04 0.00 0.00 61.00 61.68 2dkx s PRO 46 Cb -0.11 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 2dkx s PRO 46 CO 0.31 -2.85 1.84 -1.25 0.04 0.00 0.00 177.00 175.10 2dkx s PRO 47 N -4.98 2.73 -0.02 0.56 0.04 -1.26 -4.79 135.00 127.28 2dkx s PRO 47 Ca 0.66 0.71 0.19 0.00 0.04 0.00 0.00 61.00 62.60 2dkx s PRO 47 Cb -0.18 -4.36 -0.21 0.00 0.04 0.00 0.00 34.50 29.79 2dkx s PRO 47 CO 0.58 -2.61 0.56 -1.33 0.04 0.00 0.00 177.00 174.24 2dkx n MET 48 N 9.07 0.65 -0.45 4.56 2.81 -1.26 -4.32 117.12 128.17 2dkx n MET 48 Ca 0.21 0.04 0.39 0.00 -1.81 0.00 0.00 57.70 56.52 2dkx n MET 48 Cb 0.51 -1.66 0.67 0.00 -0.71 0.00 0.00 33.22 32.03 2dkx n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dkx n GLY 49 N 1.42 -0.83 0.22 3.03 0.00 -1.26 0.21 105.19 107.98 2dkx n GLY 49 Ca -0.13 0.77 -0.11 0.00 0.00 0.00 0.00 46.02 46.55 2dkx n GLY 49 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dkx h LYS 50 N 0.00 0.62 0.02 1.61 1.63 -1.98 1.09 116.57 119.56 2dkx h LYS 50 Ca 0.88 -0.40 -0.21 0.00 -0.85 0.00 0.00 60.65 60.07 2dkx h LYS 50 Cb 2.76 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 34.42 2dkx h LYS 50 CO -0.51 1.01 -0.93 0.00 -3.45 0.00 0.00 179.45 175.57 2dkx h ALA 51 N 0.90 0.46 -0.02 5.00 0.00 0.22 -3.21 119.26 122.61 2dkx h ALA 51 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2dkx h ALA 51 Cb 1.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2dkx h ALA 51 CO 0.11 0.97 -0.25 1.19 0.00 0.00 0.00 179.25 181.27 2dkx n PHE 52 N -3.60 0.00 -0.43 0.00 3.01 0.10 -4.43 117.46 112.11 2dkx n PHE 52 Ca -0.04 0.00 0.35 0.00 1.01 0.00 0.00 57.45 58.77 2dkx n PHE 52 Cb 0.84 -0.01 0.63 0.00 -0.01 0.00 0.00 39.48 40.94 2dkx n PHE 52 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 2dkx h GLN 53 N 3.32 0.13 0.00 -1.08 3.07 0.13 1.58 115.11 122.25 2dkx h GLN 53 Ca 0.00 -0.01 -0.09 0.00 0.09 0.00 0.00 58.65 58.64 2dkx h GLN 53 Cb 0.83 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.35 2dkx h GLN 53 CO 0.00 0.08 -1.05 1.05 0.09 0.00 0.00 178.83 179.00 2dkx h GLU 54 N 0.13 0.00 -7.15 0.06 4.11 -1.82 -3.47 114.58 106.44 2dkx h GLU 54 Ca 0.78 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 59.72 2dkx h GLU 54 Cb 2.42 0.00 0.06 0.00 0.50 0.00 0.00 28.75 31.73 2dkx h GLU 54 CO -0.37 0.19 0.39 -0.51 0.07 0.00 0.00 179.01 178.77 2dkx s LEU 55 N -5.74 3.59 0.00 3.06 1.43 0.54 -5.07 118.68 116.49 2dkx s LEU 55 Ca -0.01 1.92 0.02 0.00 -1.03 0.00 0.00 54.13 55.04 2dkx s LEU 55 Cb 0.09 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.75 2dkx s LEU 55 CO 0.79 -1.16 0.07 0.00 0.23 0.00 0.00 176.35 176.28 2dkx n ALA 56 N -1.76 0.33 0.03 4.21 0.00 -1.26 -4.88 120.51 117.17 2dkx n ALA 56 Ca 0.09 -1.23 -0.10 0.00 0.00 0.00 0.00 53.44 52.20 2dkx n ALA 56 Cb 0.52 0.81 -0.04 0.00 0.00 0.00 0.00 19.45 20.74 2dkx n ALA 56 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2dkx h GLY 57 N 0.92 -0.19 0.82 0.00 0.00 -1.23 -1.71 103.07 101.68 2dkx h GLY 57 Ca -0.19 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2dkx h GLY 57 CO 0.31 -0.17 -0.30 0.07 0.00 0.00 0.00 176.54 176.45 2dkx h LYS 58 N -0.26 -0.69 -0.16 4.80 2.10 -1.67 -2.84 116.57 117.84 2dkx h LYS 58 Ca 0.07 0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.79 2dkx h LYS 58 Cb 0.36 0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 31.82 2dkx h LYS 58 CO -0.21 -0.46 -0.20 0.93 -2.00 0.00 0.00 179.45 177.51 2dkx h GLU 59 N -0.72 -0.13 -0.85 0.07 4.39 -1.88 0.68 114.58 116.14 2dkx h GLU 59 Ca -0.04 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.75 2dkx h GLU 59 Cb 0.60 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.17 2dkx h GLU 59 CO 0.03 -0.09 -0.46 1.28 -1.16 0.00 0.00 179.01 178.61 2dkx n LEU 60 N -3.68 -0.82 0.23 1.33 4.32 -0.66 0.23 117.00 117.96 2dkx n LEU 60 Ca -0.01 1.51 0.07 0.00 -0.02 0.00 0.00 56.01 57.56 2dkx n LEU 60 Cb 0.12 -0.23 0.55 0.00 -1.62 0.00 0.00 43.42 42.24 2dkx n LEU 60 CO -0.00 -1.26 0.90 0.00 -1.22 0.00 0.00 177.39 175.81 2dkx n ALA 62 N -2.44 2.71 -1.98 0.00 0.00 0.64 -4.86 120.51 114.57 2dkx n ALA 62 Ca -0.02 -0.21 -0.26 0.00 0.00 0.00 0.00 53.44 52.95 2dkx n ALA 62 Cb 0.26 -1.37 0.14 0.00 0.00 0.00 0.00 19.45 18.48 2dkx n ALA 62 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2dkx s MET 63 N -2.74 1.29 0.08 0.00 1.00 0.32 -5.01 119.30 114.23 2dkx s MET 63 Ca 0.21 -0.93 0.07 0.00 0.00 0.00 0.00 55.69 55.04 2dkx s MET 63 Cb 0.19 -2.17 -0.03 0.00 0.00 0.00 0.00 34.83 32.82 2dkx s MET 63 CO 0.53 -1.80 -0.18 -1.12 0.00 0.00 0.00 175.02 172.45 2dkx s SER 64 N -4.81 2.13 0.12 3.03 0.01 -1.26 -5.01 113.70 107.91 2dkx s SER 64 Ca 0.69 -0.62 -0.21 0.00 1.31 0.00 0.00 55.95 57.13 2dkx s SER 64 Cb -0.04 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 2dkx s SER 64 CO 0.47 0.02 1.09 1.21 0.41 0.00 0.00 173.24 176.44 2dkx n GLU 65 N 1.32 -0.29 -0.30 12.44 2.13 -1.26 0.21 120.64 134.89 2dkx n GLU 65 Ca -0.20 1.07 0.11 0.00 0.66 0.00 0.00 57.16 58.80 2dkx n GLU 65 Cb 0.54 -1.57 0.27 0.00 0.27 0.00 0.00 31.44 30.95 2dkx n GLU 65 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2dkx h GLU 66 N 0.00 0.41 -0.64 5.31 3.07 -1.97 0.10 114.58 120.85 2dkx h GLU 66 Ca 0.13 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 2dkx h GLU 66 Cb 0.31 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 2dkx h GLU 66 CO -0.67 0.27 0.41 1.96 -1.40 0.00 0.00 179.01 179.58 2dkx h GLN 67 N 0.42 0.86 0.00 2.33 1.08 0.20 -0.79 115.11 119.21 2dkx h GLN 67 Ca 0.52 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.64 2dkx h GLN 67 Cb 0.94 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 28.18 2dkx h GLN 67 CO -0.50 0.59 -0.09 0.74 -0.95 0.00 0.00 178.83 178.63 2dkx h PHE 68 N 0.87 0.00 0.00 2.96 -1.00 0.33 -1.49 116.94 118.61 2dkx h PHE 68 Ca 0.23 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.97 2dkx h PHE 68 Cb -0.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 2dkx h PHE 68 CO -0.02 0.09 -0.82 0.00 -1.61 0.00 0.00 178.31 175.95 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.42 -2.42 114.38 116.13 2dkx h ARG 69 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2dkx h ARG 69 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2dkx h ARG 69 CO 0.01 0.11 -0.31 1.96 -1.07 0.00 0.00 179.97 180.67 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 4.20 -0.08 -3.09 115.11 116.18 2dkx h GLN 70 Ca -0.03 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 2dkx h GLN 70 Cb 1.15 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 2dkx h GLN 70 CO 0.02 0.31 -1.89 2.89 -0.67 0.00 0.00 178.83 179.49 2dkx n ARG 71 N -3.94 0.84 -3.61 1.46 1.85 -1.20 -4.83 116.66 107.23 2dkx n ARG 71 Ca -0.02 -0.10 -0.29 0.00 -1.00 0.00 0.00 57.85 56.44 2dkx n ARG 71 Cb 0.38 -1.40 -0.13 0.00 -1.05 0.00 0.00 32.46 30.25 2dkx n ARG 71 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2dkx s SER 72 N -4.31 3.49 -0.02 2.89 0.15 -0.91 -4.95 113.70 110.04 2dkx s SER 72 Ca -0.07 -2.09 -0.26 0.00 0.70 0.00 0.00 55.95 54.24 2dkx s SER 72 Cb 0.09 -0.69 -0.20 0.00 -1.71 0.00 0.00 66.02 63.50 2dkx s SER 72 CO 0.68 -0.34 1.27 1.55 1.20 0.00 0.00 173.24 177.61 2dkx h PRO 73 N 7.34 0.01 0.00 5.44 0.13 -1.81 0.49 132.00 143.60 2dkx h PRO 73 Ca -0.04 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2dkx h PRO 73 Cb 0.97 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 2dkx h PRO 73 CO 0.40 0.49 -0.03 -0.07 -0.23 0.00 0.00 178.00 178.56 2dkx h LEU 74 N -0.47 0.00 0.00 1.56 3.38 -1.94 -3.40 115.31 114.43 2dkx h LEU 74 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dkx h LEU 74 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2dkx h LEU 74 CO 0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2dkx n GLY 75 N -0.84 0.41 6.07 0.83 0.00 -1.17 -4.92 105.19 105.57 2dkx n GLY 75 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2dkx n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkx n GLY 76 N 4.18 0.43 0.32 -0.02 0.00 0.17 -2.01 105.19 108.26 2dkx n GLY 76 Ca 0.00 0.41 0.31 0.00 0.00 0.00 0.00 46.02 46.74 2dkx n GLY 76 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2dkx h ASP 77 N 0.00 0.29 -0.31 1.61 1.82 -1.80 0.66 116.42 118.68 2dkx h ASP 77 Ca 0.00 0.26 0.05 0.00 -0.39 0.00 0.00 57.03 56.95 2dkx h ASP 77 Cb 0.00 0.27 -0.05 0.00 0.68 0.00 0.00 39.33 40.24 2dkx h ASP 77 CO 0.00 -0.42 0.01 0.58 -1.61 0.00 0.00 179.24 177.80 2dkx h VAL 78 N 0.02 0.79 0.71 2.25 2.07 -1.78 0.41 116.25 120.71 2dkx h VAL 78 Ca 0.83 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 68.28 2dkx h VAL 78 Cb 2.17 0.67 0.01 0.00 -1.52 0.00 0.00 31.29 32.62 2dkx h VAL 78 CO -0.77 0.02 -0.34 -0.07 0.02 0.00 0.00 177.57 176.43 2dkx h LEU 79 N 0.11 -0.81 -2.16 2.57 3.38 0.05 0.45 115.31 118.90 2dkx h LEU 79 Ca 0.15 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.19 2dkx h LEU 79 Cb 0.19 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2dkx h LEU 79 CO -0.24 -0.44 0.28 -0.74 0.09 0.00 0.00 178.44 177.39 2dkx h HIS 80 N -1.20 0.00 0.00 1.13 2.76 -1.29 0.17 115.15 116.73 2dkx h HIS 80 Ca -0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 2dkx h HIS 80 Cb 0.75 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.71 2dkx h HIS 80 CO 0.00 0.00 -0.00 0.00 -1.30 0.00 0.00 177.93 176.63 2dkx h ALA 81 N 1.63 0.00 0.00 5.26 0.00 0.05 -2.92 119.26 123.28 2dkx h ALA 81 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2dkx h ALA 81 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2dkx h ALA 81 CO -0.00 0.00 0.27 1.25 0.00 0.00 0.00 179.25 180.77 2dkx h HIS 82 N -0.29 0.00 0.19 0.00 6.17 -0.73 0.39 115.15 120.87 2dkx h HIS 82 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 60.37 60.82 2dkx h HIS 82 Cb 0.00 0.00 0.03 0.00 2.52 0.00 0.00 27.41 29.96 2dkx h HIS 82 CO -0.00 0.00 -1.16 1.25 0.71 0.00 0.00 177.93 178.73 2dkx h LEU 83 N 0.00 0.62 -0.96 0.26 5.85 -1.07 -3.33 115.31 116.68 2dkx h LEU 83 Ca 0.00 -0.93 0.29 0.00 0.84 0.00 0.00 57.88 58.08 2dkx h LEU 83 Cb 0.53 -0.20 -0.17 0.00 0.37 0.00 0.00 40.66 41.19 2dkx h LEU 83 CO 0.00 1.55 0.18 -0.78 -0.34 0.00 0.00 178.44 179.05 2dkx h ASP 84 N -0.14 -0.21 -0.93 1.25 3.58 -0.70 1.13 116.42 120.39 2dkx h ASP 84 Ca -0.21 0.26 0.11 0.00 0.42 0.00 0.00 57.03 57.61 2dkx h ASP 84 Cb 1.88 0.39 -0.07 0.00 1.72 0.00 0.00 39.33 43.25 2dkx h ASP 84 CO 0.20 -0.33 0.60 0.40 -2.88 0.00 0.00 179.24 177.23 2dkx h ILE 85 N 0.05 0.94 0.03 2.25 5.03 -1.67 0.99 117.51 125.13 2dkx h ILE 85 Ca 0.64 -0.31 -0.00 0.00 -0.12 0.00 0.00 64.86 65.07 2dkx h ILE 85 Cb 1.41 -0.05 0.00 0.00 -3.03 0.00 0.00 36.82 35.15 2dkx h ILE 85 CO -0.83 0.17 -0.01 -0.50 -0.68 0.00 0.00 178.15 176.29 2dkx h TRP 86 N 0.91 -0.03 -0.95 1.37 4.06 0.11 -2.90 115.95 118.51 2dkx h TRP 86 Ca 0.45 -0.00 0.30 0.00 2.06 0.00 0.00 58.89 61.69 2dkx h TRP 86 Cb 0.47 0.01 -0.16 0.00 -1.00 0.00 0.00 29.16 28.48 2dkx h TRP 86 CO -0.00 -0.02 0.29 1.57 -3.56 0.00 0.00 178.44 176.72 2dkx h LYS 87 N -0.12 0.12 -0.64 0.49 2.10 -1.26 0.73 116.57 117.99 2dkx h LYS 87 Ca -0.00 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.65 2dkx h LYS 87 Cb 0.03 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.30 2dkx h LYS 87 CO 0.01 0.08 0.42 1.03 -2.00 0.00 0.00 179.45 178.98 2dkx h SER 88 N 0.12 0.72 1.08 7.07 0.87 -0.92 0.32 113.55 122.81 2dkx h SER 88 Ca 0.66 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 61.13 2dkx h SER 88 Cb 1.48 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 2dkx h SER 88 CO -0.75 0.52 -0.32 0.00 -0.53 0.00 0.00 176.83 175.75 2dkx h ALA 89 N 1.24 0.93 0.00 6.23 0.00 0.50 -2.91 119.26 125.25 2dkx h ALA 89 Ca 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2dkx h ALA 89 Cb -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2dkx h ALA 89 CO -0.06 0.40 -0.21 0.00 0.00 0.00 0.00 179.25 179.38 2dkx h ALA 90 N 1.68 0.88 -0.44 0.00 0.00 0.33 -3.30 119.26 118.41 2dkx h ALA 90 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 2dkx h ALA 90 Cb 0.94 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.60 2dkx h ALA 90 CO 0.04 0.00 0.35 0.45 0.00 0.00 0.00 179.25 180.10 2dkx n SER 91 N -2.62 5.40 -0.58 0.00 2.88 0.02 -5.01 113.62 113.71 2dkx n SER 91 Ca 0.04 -2.91 0.00 0.00 -1.33 0.00 0.00 58.87 54.67 2dkx n SER 91 Cb 0.49 -0.93 -0.00 0.00 -0.75 0.00 0.00 64.21 63.02 2dkx n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkx n GLY 92 N 0.23 -0.54 3.72 0.46 0.00 -1.24 -4.61 105.19 103.20 2dkx n GLY 92 Ca 0.27 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2dkx n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkx s PRO 93 N -0.00 4.34 -0.16 1.61 0.04 -1.26 -4.79 135.00 134.78 2dkx s PRO 93 Ca 0.00 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.09 2dkx s PRO 93 Cb 0.00 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.30 2dkx s PRO 93 CO 0.00 -0.39 -0.19 0.45 0.04 0.00 0.00 177.00 176.91 2dkx s SER 94 N 1.01 3.31 -1.58 6.66 0.15 -1.26 -4.73 113.70 117.25 2dkx s SER 94 Ca 0.63 -0.57 -0.16 0.00 0.70 0.00 0.00 55.95 56.55 2dkx s SER 94 Cb -0.36 -1.50 0.16 0.00 -1.71 0.00 0.00 66.02 62.61 2dkx s SER 94 CO 0.31 0.06 0.39 -1.20 1.20 0.00 0.00 173.24 174.00 2dkx n SER 95 N 4.24 -0.98 0.00 5.45 7.64 -1.26 -5.24 113.62 123.47 2dkx n SER 95 Ca -0.20 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.58 2dkx n SER 95 Cb 0.51 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 2dkx n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64