#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkx h SER 2 N 0.00 -1.65 -1.15 1.61 4.64 -2.09 -3.23 113.55 111.68 2dkx h SER 2 Ca 0.00 0.26 -0.58 0.00 -0.47 0.00 0.00 61.79 61.01 2dkx h SER 2 Cb 0.00 0.74 -0.10 0.00 -0.31 0.00 0.00 62.40 62.73 2dkx h SER 2 CO 0.00 -0.33 1.42 -0.55 -0.87 0.00 0.00 176.83 176.50 2dkx s SER 3 N -5.20 6.39 -0.14 4.97 0.15 -1.26 -4.48 113.70 114.14 2dkx s SER 3 Ca -0.14 -1.34 0.05 0.00 0.70 0.00 0.00 55.95 55.22 2dkx s SER 3 Cb 0.12 -2.57 0.16 0.00 -1.71 0.00 0.00 66.02 62.03 2dkx s SER 3 CO 0.65 -1.61 0.92 0.61 1.20 0.00 0.00 173.24 175.00 2dkx n GLY 4 N 6.80 0.33 3.28 9.45 0.00 -1.22 -5.15 105.19 118.69 2dkx n GLY 4 Ca 0.32 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 2dkx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkx s SER 5 N -0.50 -0.27 1.06 1.61 0.01 -1.26 -5.04 113.70 109.31 2dkx s SER 5 Ca 0.04 0.22 -0.17 0.00 1.31 0.00 0.00 55.95 57.35 2dkx s SER 5 Cb 0.18 0.38 0.13 0.00 0.21 0.00 0.00 66.02 66.91 2dkx s SER 5 CO -0.05 -0.45 0.08 -1.20 0.41 0.00 0.00 173.24 172.03 2dkx n SER 6 N 1.31 -2.79 0.00 2.44 7.64 -1.26 -4.59 113.62 116.38 2dkx n SER 6 Ca -0.21 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.39 2dkx n SER 6 Cb 0.56 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2dkx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkx n GLY 7 N 2.34 1.78 1.01 0.23 0.00 -1.26 -4.70 105.19 104.60 2dkx n GLY 7 Ca 0.03 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.54 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 3.09 -0.36 0.99 -0.00 -1.26 -4.43 117.00 115.03 2dkx n LEU 8 Ca 0.00 -1.18 0.28 0.00 -0.00 0.00 0.00 56.01 55.12 2dkx n LEU 8 Cb 0.00 -0.11 0.58 0.00 -0.00 0.00 0.00 43.42 43.89 2dkx n LEU 8 CO 0.00 0.59 1.24 0.11 -0.00 0.00 0.00 177.39 179.33 2dkx h LYS 9 N 4.42 0.25 0.00 1.47 1.79 -1.84 0.66 116.57 123.33 2dkx h LYS 9 Ca 0.00 -0.02 -0.14 0.00 -2.18 0.00 0.00 60.65 58.31 2dkx h LYS 9 Cb 0.96 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.52 2dkx h LYS 9 CO 0.00 0.17 -1.29 0.22 -1.08 0.00 0.00 179.45 177.47 2dkx h ASP 10 N 0.26 0.00 0.05 0.86 3.58 -1.98 -3.36 116.42 115.83 2dkx h ASP 10 Ca 0.65 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 58.10 2dkx h ASP 10 Cb 1.90 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.95 2dkx h ASP 10 CO -0.29 0.50 -0.02 0.40 -2.88 0.00 0.00 179.24 176.94 2dkx h ILE 11 N 0.00 1.08 -0.70 2.25 2.04 0.02 -3.01 117.51 119.19 2dkx h ILE 11 Ca -0.13 -0.42 0.12 0.00 1.00 0.00 0.00 64.86 65.43 2dkx h ILE 11 Cb 1.50 1.36 -0.09 0.00 -0.74 0.00 0.00 36.82 38.85 2dkx h ILE 11 CO 0.04 0.11 0.27 1.05 0.00 0.00 0.00 178.15 179.62 2dkx h GLU 12 N -0.25 0.43 -0.20 2.37 4.11 -1.40 0.24 114.58 119.89 2dkx h GLU 12 Ca -0.01 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.45 2dkx h GLU 12 Cb 0.22 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2dkx h GLU 12 CO 0.01 0.28 0.23 1.15 0.07 0.00 0.00 179.01 180.75 2dkx h THR 13 N 0.44 0.42 0.00 -1.06 2.02 -1.68 0.37 112.91 113.43 2dkx h THR 13 Ca 0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.55 2dkx h THR 13 Cb 0.52 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2dkx h THR 13 CO -0.36 0.00 -0.77 0.00 0.37 0.00 0.00 175.52 174.75 2dkx n ALA 14 N -2.31 3.40 0.91 6.16 0.00 0.79 -3.85 120.51 125.61 2dkx n ALA 14 Ca 0.02 -0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.21 2dkx n ALA 14 Cb 0.36 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.38 0.00 0.00 1.57 -1.27 0.60 116.57 117.09 2dkx h LYS 16 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2dkx h LYS 16 Cb 0.55 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2dkx h LYS 16 CO 0.00 -0.14 0.00 1.47 -0.57 0.00 0.00 179.45 180.21 2dkx n LEU 17 N -5.04 0.00 -0.02 2.94 -0.00 -1.26 -2.50 117.00 111.12 2dkx n LEU 17 Ca -0.06 0.22 0.05 0.00 -0.00 0.00 0.00 56.01 56.22 2dkx n LEU 17 Cb 0.21 -0.22 -0.14 0.00 -0.00 0.00 0.00 43.42 43.27 2dkx n LEU 17 CO 0.18 -0.07 -0.78 0.18 -0.00 0.00 0.00 177.39 176.90 2dkx n LEU 18 N -1.22 0.00 -3.16 1.47 4.77 -1.22 -5.01 117.00 112.63 2dkx n LEU 18 Ca 0.11 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.90 2dkx n LEU 18 Cb 0.15 0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.39 2dkx n LEU 18 CO 0.15 0.08 0.18 -3.20 -1.33 0.00 0.00 177.39 173.28 2dkx n ASN 19 N -2.22 -4.77 -4.39 -1.43 2.85 0.16 -5.02 115.26 100.45 2dkx n ASN 19 Ca -0.08 -0.49 -0.29 0.00 -0.11 0.00 0.00 54.58 53.61 2dkx n ASN 19 Cb 0.58 -4.45 -0.08 0.00 1.24 0.00 0.00 39.78 37.08 2dkx n ASN 19 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2dkx s ILE 20 N -3.29 0.80 -0.04 -1.44 -4.36 -0.96 -5.06 121.20 106.85 2dkx s ILE 20 Ca 0.37 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.61 2dkx s ILE 20 Cb -0.16 -2.21 -0.05 0.00 1.25 0.00 0.00 42.46 41.28 2dkx s ILE 20 CO 0.63 0.00 0.39 0.28 0.24 0.00 0.00 174.94 176.48 2dkx s THR 21 N -3.05 5.11 0.62 8.37 -1.32 -1.26 -4.79 115.64 119.32 2dkx s THR 21 Ca 0.14 0.78 0.28 0.00 -1.21 0.00 0.00 61.69 61.67 2dkx s THR 21 Cb 0.01 -3.69 0.34 0.00 -1.51 0.00 0.00 72.50 67.65 2dkx s THR 21 CO 0.09 0.53 1.84 0.00 -2.21 0.00 0.00 174.62 174.88 2dkx h ALA 22 N 5.16 1.90 -2.37 11.08 0.00 -1.94 -3.38 119.26 129.70 2dkx h ALA 22 Ca -0.50 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 53.80 2dkx h ALA 22 Cb 1.21 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 2dkx h ALA 22 CO 0.64 -0.63 0.34 0.34 0.00 0.00 0.00 179.25 179.94 2dkx s ASP 23 N -4.78 6.74 0.27 0.00 -1.08 -1.26 -4.78 116.67 111.79 2dkx s ASP 23 Ca -0.04 0.91 0.05 0.00 -0.52 0.00 0.00 52.55 52.96 2dkx s ASP 23 Cb 0.12 -2.40 0.38 0.00 -1.46 0.00 0.00 42.92 39.57 2dkx s ASP 23 CO 0.43 -0.45 1.66 1.55 0.52 0.00 0.00 175.17 178.87 2dkx h PRO 24 N 7.73 0.27 0.00 4.34 0.13 -1.88 -2.63 132.00 139.97 2dkx h PRO 24 Ca -0.25 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2dkx h PRO 24 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2dkx h PRO 24 CO 0.83 0.68 0.00 -1.33 -0.23 0.00 0.00 178.00 177.95 2dkx n MET 25 N -3.99 0.24 0.00 0.86 2.81 -1.25 -1.80 117.12 113.99 2dkx n MET 25 Ca -0.02 0.13 0.07 0.00 -1.81 0.00 0.00 57.70 56.07 2dkx n MET 25 Cb 0.51 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.50 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 1.27 -4.51 7.83 9.92 -1.00 -3.15 116.55 125.64 2dkx n ASP 26 Ca 0.08 -1.13 -0.44 0.00 -0.53 0.00 0.00 54.79 52.76 2dkx n ASP 26 Cb 0.13 0.63 -0.06 0.00 -0.64 0.00 0.00 41.12 41.17 2dkx n ASP 26 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 2dkx n TRP 27 N -0.51 1.51 -3.53 1.24 8.01 -0.74 -4.86 117.44 118.55 2dkx n TRP 27 Ca 0.05 0.17 -0.08 0.00 -1.31 0.00 0.00 57.50 56.34 2dkx n TRP 27 Cb 0.28 -2.58 -0.02 0.00 -2.01 0.00 0.00 31.31 26.98 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 8.96 -0.33 0.27 -0.99 0.01 -1.26 -1.15 113.70 119.21 2dkx s SER 28 Ca 1.08 -0.04 0.05 0.00 1.31 0.00 0.00 55.95 58.36 2dkx s SER 28 Cb -0.63 0.38 0.38 0.00 0.21 0.00 0.00 66.02 66.36 2dkx s SER 28 CO 0.41 -0.62 1.66 1.55 0.41 0.00 0.00 173.24 176.64 2dkx h PRO 29 N 2.00 0.27 -0.58 12.44 0.13 -2.03 -3.38 132.00 140.85 2dkx h PRO 29 Ca -0.22 -0.14 -0.33 0.00 -0.87 0.00 0.00 66.00 64.44 2dkx h PRO 29 Cb 1.24 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.96 2dkx h PRO 29 CO 0.30 0.68 -1.05 0.43 -0.23 0.00 0.00 178.00 178.13 2dkx n SER 30 N -3.99 2.41 0.21 1.44 7.64 -1.26 -4.86 113.62 115.21 2dkx n SER 30 Ca -0.02 -2.51 0.04 0.00 1.01 0.00 0.00 58.87 57.39 2dkx n SER 30 Cb 0.52 -0.45 0.44 0.00 -1.01 0.00 0.00 64.21 63.71 2dkx n SER 30 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 2dkx h ASN 31 N 2.54 0.00 -0.67 6.43 -0.26 -1.76 -2.99 115.58 118.86 2dkx h ASN 31 Ca -0.01 0.00 0.14 0.00 -0.56 0.00 0.00 56.30 55.87 2dkx h ASN 31 Cb 1.32 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 38.46 2dkx h ASN 31 CO 0.35 0.26 -0.01 0.58 -1.06 0.00 0.00 177.43 177.56 2dkx h VAL 32 N 0.00 0.42 -1.19 2.81 2.07 -1.89 0.33 116.25 118.80 2dkx h VAL 32 Ca -0.00 -0.03 0.34 0.00 0.82 0.00 0.00 66.70 67.82 2dkx h VAL 32 Cb 0.47 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 2dkx h VAL 32 CO 0.03 0.02 0.82 1.56 0.02 0.00 0.00 177.57 180.02 2dkx h GLN 33 N 0.10 0.13 0.37 1.57 1.08 -1.87 -1.03 115.11 115.46 2dkx h GLN 33 Ca 0.35 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.53 2dkx h GLN 33 Cb 0.59 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2dkx h GLN 33 CO -0.59 0.09 -0.18 0.87 -0.95 0.00 0.00 178.83 178.07 2dkx h LYS 34 N 0.14 -0.48 0.00 1.46 1.57 -0.53 -2.56 116.57 116.17 2dkx h LYS 34 Ca 0.62 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 2dkx h LYS 34 Cb 2.12 0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.54 2dkx h LYS 34 CO -0.15 -0.32 0.38 2.35 -0.57 0.00 0.00 179.45 181.14 2dkx h TRP 35 N -1.11 0.00 0.00 -1.35 7.01 -1.05 -1.71 115.95 117.74 2dkx h TRP 35 Ca -0.05 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.95 2dkx h TRP 35 Cb 0.38 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 2dkx h TRP 35 CO 0.00 0.00 -0.02 -0.07 -2.79 0.00 0.00 178.44 175.56 2dkx h LEU 36 N 0.00 0.00 -1.19 0.65 3.38 -1.19 -3.29 115.31 113.68 2dkx h LEU 36 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dkx h LEU 36 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2dkx h LEU 36 CO 0.00 0.10 0.48 0.17 0.09 0.00 0.00 178.44 179.27 2dkx h LEU 37 N -0.17 0.00 0.00 1.67 8.10 -1.03 0.34 115.31 124.23 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 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.24 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 -2.51 0.00 0.08 0.17 -0.00 -0.68 -3.32 117.44 111.17 2dkx n TRP 38 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.47 2dkx n TRP 38 Cb 0.51 -0.35 0.23 0.00 -0.00 0.00 0.00 31.31 31.70 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 1.29 -0.59 5.87 2.02 -1.51 -2.78 112.91 117.21 2dkx h THR 39 Ca 0.00 -1.43 0.17 0.00 0.77 0.00 0.00 66.41 65.93 2dkx h THR 39 Cb 0.00 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 2dkx h THR 39 CO 0.00 0.43 0.49 -0.08 0.37 0.00 0.00 175.52 176.73 2dkx h GLU 40 N 0.25 0.00 0.00 6.66 4.81 -0.49 0.64 114.58 126.45 2dkx h GLU 40 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2dkx h GLU 40 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2dkx h GLU 40 CO 0.06 0.00 -0.95 1.58 -0.73 0.00 0.00 179.01 178.97 2dkx n HIS 41 N -4.07 0.49 1.00 0.92 -0.00 -1.05 -0.23 115.22 112.27 2dkx n HIS 41 Ca 0.11 0.14 0.11 0.00 0.46 0.00 0.00 57.72 58.55 2dkx n HIS 41 Cb 0.72 -0.62 0.15 0.00 -0.12 0.00 0.00 29.99 30.13 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 -2.17 0.01 0.00 1.57 6.02 0.20 -4.06 117.38 118.95 2dkx n GLN 42 Ca 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2dkx n GLN 42 Cb 0.47 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.23 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 -1.49 0.00 -3.35 1.08 4.02 0.12 -5.02 117.16 112.52 2dkx n TYR 43 Ca 0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.76 2dkx n TYR 43 Cb 0.33 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.72 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 -0.06 -6.33 -3.12 -0.72 5.12 -0.91 -5.00 116.66 105.64 2dkx n ARG 44 Ca 0.00 0.70 -0.28 0.00 -1.93 0.00 0.00 57.85 56.34 2dkx n ARG 44 Cb 0.06 -5.33 -0.03 0.00 -1.16 0.00 0.00 32.46 26.01 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 -6.08 3.93 1.03 0.55 1.43 0.68 -5.03 118.68 115.20 2dkx s LEU 45 Ca 0.34 0.82 -0.13 0.00 -1.03 0.00 0.00 54.13 54.13 2dkx s LEU 45 Cb -0.15 -3.68 0.20 0.00 0.03 0.00 0.00 46.19 42.59 2dkx s LEU 45 CO 0.61 -0.31 1.09 -2.16 0.23 0.00 0.00 176.35 175.81 2dkx s PRO 46 N -3.87 0.19 -0.67 1.29 0.04 -1.26 -4.77 135.00 125.95 2dkx s PRO 46 Ca 0.46 0.44 -0.26 0.00 0.04 0.00 0.00 61.00 61.68 2dkx s PRO 46 Cb -0.10 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 2dkx s PRO 46 CO 0.33 -2.88 1.88 -1.25 0.04 0.00 0.00 177.00 175.12 2dkx s PRO 47 N -5.00 2.61 -0.00 0.56 0.04 -1.26 -4.78 135.00 127.17 2dkx s PRO 47 Ca 0.66 0.44 0.16 0.00 0.04 0.00 0.00 61.00 62.30 2dkx s PRO 47 Cb -0.18 -4.52 -0.18 0.00 0.04 0.00 0.00 34.50 29.66 2dkx s PRO 47 CO 0.58 -2.86 0.68 -1.33 0.04 0.00 0.00 177.00 174.10 2dkx n MET 48 N 9.13 0.63 -0.33 4.56 2.81 -1.26 -4.25 117.12 128.41 2dkx n MET 48 Ca 0.24 0.20 0.26 0.00 -1.81 0.00 0.00 57.70 56.60 2dkx n MET 48 Cb 0.51 -1.76 0.50 0.00 -0.71 0.00 0.00 33.22 31.76 2dkx n MET 48 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2dkx h GLY 49 N 3.70 1.98 1.65 3.03 0.00 -1.92 1.75 103.07 113.25 2dkx h GLY 49 Ca -0.23 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 2dkx h GLY 49 CO 0.05 -0.70 -0.21 1.70 0.00 0.00 0.00 176.54 177.39 2dkx h LYS 50 N 0.03 0.42 0.00 4.80 1.63 -1.99 0.58 116.57 122.04 2dkx h LYS 50 Ca 0.77 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 60.43 2dkx h LYS 50 Cb 1.92 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.51 2dkx h LYS 50 CO -0.79 0.61 -0.50 0.00 -3.45 0.00 0.00 179.45 175.31 2dkx n ALA 51 N -2.48 2.86 0.18 5.00 0.00 0.54 -3.65 120.51 122.95 2dkx n ALA 51 Ca -0.00 -0.22 0.05 0.00 0.00 0.00 0.00 53.44 53.27 2dkx n ALA 51 Cb 0.36 -1.22 0.09 0.00 0.00 0.00 0.00 19.45 18.68 2dkx n ALA 51 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2dkx n PHE 52 N -2.07 0.19 -0.36 0.00 3.01 0.19 -4.62 117.46 113.80 2dkx n PHE 52 Ca 0.04 -0.21 0.11 0.00 1.01 0.00 0.00 57.45 58.40 2dkx n PHE 52 Cb 0.43 -0.01 0.29 0.00 -0.01 0.00 0.00 39.48 40.18 2dkx n PHE 52 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 2dkx h GLN 53 N 2.01 0.81 0.00 -1.08 4.20 0.09 0.16 115.11 121.30 2dkx h GLN 53 Ca 0.00 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 2dkx h GLN 53 Cb 0.56 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2dkx h GLN 53 CO 0.00 0.54 -0.43 1.05 -0.67 0.00 0.00 178.83 179.32 2dkx h GLU 54 N 0.84 0.00 -7.13 1.46 4.11 -1.85 -3.46 114.58 108.55 2dkx h GLU 54 Ca 0.55 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 59.50 2dkx h GLU 54 Cb 0.77 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.06 2dkx h GLU 54 CO -0.35 0.43 0.38 -0.51 0.07 0.00 0.00 179.01 179.04 2dkx s LEU 55 N -6.45 3.69 0.00 3.06 1.43 0.57 -5.07 118.68 115.90 2dkx s LEU 55 Ca 0.04 1.87 0.03 0.00 -1.03 0.00 0.00 54.13 55.04 2dkx s LEU 55 Cb 0.07 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.74 2dkx s LEU 55 CO 0.73 -0.94 0.11 0.00 0.23 0.00 0.00 176.35 176.48 2dkx n ALA 56 N -1.44 0.43 0.03 4.21 0.00 -1.26 -4.89 120.51 117.58 2dkx n ALA 56 Ca 0.09 -1.56 -0.10 0.00 0.00 0.00 0.00 53.44 51.87 2dkx n ALA 56 Cb 0.53 1.05 -0.04 0.00 0.00 0.00 0.00 19.45 20.99 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 1.22 -0.28 0.77 0.00 0.00 -1.25 -1.40 103.07 102.13 2dkx h GLY 57 Ca -0.24 0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2dkx h GLY 57 CO 0.38 -0.20 -0.43 0.07 0.00 0.00 0.00 176.54 176.36 2dkx h LYS 58 N -0.33 -0.99 -0.24 4.80 2.10 -1.65 -2.71 116.57 117.56 2dkx h LYS 58 Ca 0.08 0.07 0.02 0.00 -2.00 0.00 0.00 60.65 58.83 2dkx h LYS 58 Cb 0.44 0.23 -0.04 0.00 -0.90 0.00 0.00 32.23 31.96 2dkx h LYS 58 CO -0.26 -0.66 -0.23 0.93 -2.00 0.00 0.00 179.45 177.23 2dkx h GLU 59 N -1.03 -0.11 -0.90 0.07 4.39 -1.89 0.68 114.58 115.79 2dkx h GLU 59 Ca -0.08 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.71 2dkx h GLU 59 Cb 0.84 0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 29.41 2dkx h GLU 59 CO 0.06 -0.07 -0.52 1.28 -1.16 0.00 0.00 179.01 178.59 2dkx n LEU 60 N -3.83 -0.93 0.26 1.33 4.32 -0.54 0.22 117.00 117.83 2dkx n LEU 60 Ca -0.01 1.60 0.10 0.00 -0.02 0.00 0.00 56.01 57.69 2dkx n LEU 60 Cb 0.13 -0.22 0.69 0.00 -1.62 0.00 0.00 43.42 42.40 2dkx n LEU 60 CO -0.02 -1.32 0.99 0.00 -1.22 0.00 0.00 177.39 175.83 2dkx n ALA 62 N -2.38 2.96 -1.96 0.00 0.00 0.59 -4.89 120.51 114.83 2dkx n ALA 62 Ca -0.02 -0.30 -0.26 0.00 0.00 0.00 0.00 53.44 52.86 2dkx n ALA 62 Cb 0.20 -1.25 0.13 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.65 1.37 0.11 0.00 1.00 0.38 -5.00 119.30 114.50 2dkx s MET 63 Ca 0.22 -0.76 0.08 0.00 0.00 0.00 0.00 55.69 55.24 2dkx s MET 63 Cb 0.19 -2.14 -0.04 0.00 0.00 0.00 0.00 34.83 32.85 2dkx s MET 63 CO 0.54 -1.76 -0.21 -1.12 0.00 0.00 0.00 175.02 172.47 2dkx s SER 64 N -4.76 2.55 0.10 3.03 0.01 -1.26 -5.00 113.70 108.36 2dkx s SER 64 Ca 0.68 -0.71 -0.19 0.00 1.31 0.00 0.00 55.95 57.04 2dkx s SER 64 Cb -0.05 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 2dkx s SER 64 CO 0.47 0.05 1.05 1.21 0.41 0.00 0.00 173.24 176.43 2dkx n GLU 65 N 0.99 -0.28 -0.31 12.44 2.13 -1.26 0.20 120.64 134.55 2dkx n GLU 65 Ca -0.19 1.03 0.13 0.00 0.66 0.00 0.00 57.16 58.79 2dkx n GLU 65 Cb 0.54 -1.51 0.31 0.00 0.27 0.00 0.00 31.44 31.05 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 0.46 -0.57 5.31 5.08 -1.97 0.11 114.58 123.00 2dkx h GLU 66 Ca 0.10 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2dkx h GLU 66 Cb 0.26 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2dkx h GLU 66 CO -0.59 0.31 0.34 1.96 -1.00 0.00 0.00 179.01 180.03 2dkx h GLN 67 N 0.48 0.64 0.00 2.33 1.08 0.19 -0.46 115.11 119.37 2dkx h GLN 67 Ca 0.57 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.70 2dkx h GLN 67 Cb 1.04 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.32 2dkx h GLN 67 CO -0.49 0.42 -0.14 0.74 -0.95 0.00 0.00 178.83 178.41 2dkx h PHE 68 N 0.66 0.00 0.00 2.96 -1.00 0.18 -1.67 116.94 118.07 2dkx h PHE 68 Ca 0.23 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.01 2dkx h PHE 68 Cb 0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.61 2dkx h PHE 68 CO -0.07 0.14 -0.40 0.00 -1.61 0.00 0.00 178.31 176.38 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.41 -2.17 114.38 116.39 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 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2dkx h ARG 69 CO 0.02 0.00 -0.33 1.96 -1.07 0.00 0.00 179.97 180.55 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 1.08 -0.14 -3.20 115.11 112.89 2dkx h GLN 70 Ca 0.00 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.95 2dkx h GLN 70 Cb 0.99 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.37 2dkx h GLN 70 CO 0.00 0.33 -2.04 2.89 -0.95 0.00 0.00 178.83 179.06 2dkx n ARG 71 N -3.74 1.32 -3.73 1.46 1.85 -1.22 -4.85 116.66 107.75 2dkx n ARG 71 Ca -0.01 -0.03 -0.30 0.00 -1.00 0.00 0.00 57.85 56.52 2dkx n ARG 71 Cb 0.43 -1.40 -0.14 0.00 -1.05 0.00 0.00 32.46 30.29 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 -4.81 3.91 -0.02 2.89 0.15 -0.82 -4.97 113.70 110.03 2dkx s SER 72 Ca -0.08 -2.05 -0.26 0.00 0.70 0.00 0.00 55.95 54.27 2dkx s SER 72 Cb 0.05 -0.96 -0.20 0.00 -1.71 0.00 0.00 66.02 63.20 2dkx s SER 72 CO 0.65 -0.36 1.25 1.55 1.20 0.00 0.00 173.24 177.53 2dkx h PRO 73 N 7.53 -0.02 0.00 5.44 0.13 -1.82 0.43 132.00 143.69 2dkx h PRO 73 Ca -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2dkx h PRO 73 Cb 0.98 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2dkx h PRO 73 CO 0.47 0.46 -0.03 -0.07 -0.23 0.00 0.00 178.00 178.60 2dkx h LEU 74 N -0.51 0.00 0.00 1.56 3.38 -1.94 -3.40 115.31 114.40 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 0.00 178.44 179.18 2dkx n GLY 75 N -0.90 0.41 5.97 0.83 0.00 -1.17 -4.92 105.19 105.41 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 4.42 0.43 0.30 -0.02 0.00 0.15 -2.06 105.19 108.41 2dkx n GLY 76 Ca 0.00 0.33 0.30 0.00 0.00 0.00 0.00 46.02 46.64 2dkx n GLY 76 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dkx n ASP 77 N 2.15 0.32 -0.07 1.61 5.68 -1.26 0.11 116.55 125.10 2dkx n ASP 77 Ca 0.00 1.55 -0.08 0.00 -0.50 0.00 0.00 54.79 55.77 2dkx n ASP 77 Cb 0.00 -0.76 -0.01 0.00 -1.14 0.00 0.00 41.12 39.21 2dkx n ASP 77 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 2dkx h VAL 78 N 0.00 0.88 0.50 2.12 2.07 -1.78 -0.48 116.25 119.56 2dkx h VAL 78 Ca 0.79 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 68.23 2dkx h VAL 78 Cb 2.09 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2dkx h VAL 78 CO -0.72 0.03 -0.24 -0.07 0.02 0.00 0.00 177.57 176.58 2dkx h LEU 79 N 0.16 -0.57 -1.60 2.57 3.38 0.53 0.25 115.31 120.02 2dkx h LEU 79 Ca 0.12 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.20 2dkx h LEU 79 Cb 0.12 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2dkx h LEU 79 CO -0.16 -0.41 0.60 -0.74 0.09 0.00 0.00 178.44 177.83 2dkx h HIS 80 N -0.68 0.00 0.00 1.13 2.76 -1.45 0.11 115.15 117.02 2dkx h HIS 80 Ca -0.07 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 2dkx h HIS 80 Cb 0.52 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.48 2dkx h HIS 80 CO 0.12 0.00 -0.03 0.00 -1.30 0.00 0.00 177.93 176.71 2dkx h ALA 81 N 1.11 0.00 0.00 5.26 0.00 -0.55 -2.95 119.26 122.13 2dkx h ALA 81 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dkx h ALA 81 Cb 1.35 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2dkx h ALA 81 CO -0.00 0.03 0.20 1.58 0.00 0.00 0.00 179.25 181.06 2dkx n HIS 82 N -2.75 0.53 0.04 0.00 -0.00 0.82 -0.68 115.22 113.18 2dkx n HIS 82 Ca -0.00 0.28 -0.22 0.00 -0.00 0.00 0.00 57.72 57.77 2dkx n HIS 82 Cb 0.02 -0.81 -0.14 0.00 -0.00 0.00 0.00 29.99 29.06 2dkx n HIS 82 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2dkx h LEU 83 N 0.00 0.48 -0.95 0.27 5.85 -0.92 -3.36 115.31 116.68 2dkx h LEU 83 Ca 0.00 -0.89 0.29 0.00 0.84 0.00 0.00 57.88 58.12 2dkx h LEU 83 Cb 0.40 -0.16 -0.16 0.00 0.37 0.00 0.00 40.66 41.11 2dkx h LEU 83 CO 0.00 1.68 0.25 -0.78 -0.34 0.00 0.00 178.44 179.25 2dkx h ASP 84 N -0.14 -0.06 -0.93 1.25 3.58 -0.72 0.94 116.42 120.35 2dkx h ASP 84 Ca -0.32 0.24 0.10 0.00 0.42 0.00 0.00 57.03 57.47 2dkx h ASP 84 Cb 1.90 0.33 -0.07 0.00 1.72 0.00 0.00 39.33 43.21 2dkx h ASP 84 CO 0.11 -0.28 0.60 0.40 -2.88 0.00 0.00 179.24 177.19 2dkx h ILE 85 N 0.11 0.97 0.03 2.25 5.03 -1.70 0.18 117.51 124.38 2dkx h ILE 85 Ca 0.64 -0.33 -0.00 0.00 -0.12 0.00 0.00 64.86 65.05 2dkx h ILE 85 Cb 1.42 -0.06 0.00 0.00 -3.03 0.00 0.00 36.82 35.15 2dkx h ILE 85 CO -0.76 0.17 -0.02 -0.50 -0.68 0.00 0.00 178.15 176.36 2dkx h TRP 86 N 0.95 -0.04 -0.92 1.37 4.06 0.70 -2.84 115.95 119.24 2dkx h TRP 86 Ca 0.44 -0.00 0.26 0.00 2.06 0.00 0.00 58.89 61.65 2dkx h TRP 86 Cb 0.40 0.01 -0.15 0.00 -1.00 0.00 0.00 29.16 28.42 2dkx h TRP 86 CO -0.00 -0.03 0.28 1.57 -3.56 0.00 0.00 178.44 176.70 2dkx h LYS 87 N -0.13 0.18 -0.62 0.49 2.10 -1.29 0.70 116.57 118.01 2dkx h LYS 87 Ca -0.00 -0.01 0.03 0.00 -2.00 0.00 0.00 60.65 58.66 2dkx h LYS 87 Cb 0.03 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.28 2dkx h LYS 87 CO 0.01 0.12 0.38 1.03 -2.00 0.00 0.00 179.45 178.99 2dkx h SER 88 N 0.19 0.61 1.37 7.07 0.87 -0.76 0.47 113.55 123.37 2dkx h SER 88 Ca 0.60 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 61.09 2dkx h SER 88 Cb 1.28 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 2dkx h SER 88 CO -0.69 0.42 -0.39 0.00 -0.53 0.00 0.00 176.83 175.65 2dkx h ALA 89 N 1.27 0.80 0.00 6.23 0.00 0.08 -3.12 119.26 124.52 2dkx h ALA 89 Ca 0.25 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2dkx h ALA 89 Cb 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2dkx h ALA 89 CO -0.11 0.49 -0.40 0.00 0.00 0.00 0.00 179.25 179.22 2dkx h ALA 90 N 1.61 0.77 -0.53 0.00 0.00 1.00 -3.32 119.26 118.79 2dkx h ALA 90 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 2dkx h ALA 90 Cb 1.18 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 2dkx h ALA 90 CO 0.05 0.00 0.45 0.45 0.00 0.00 0.00 179.25 180.20 2dkx n SER 91 N -2.60 5.96 0.00 0.00 2.88 0.16 -5.01 113.62 115.01 2dkx n SER 91 Ca 0.03 -3.09 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 2dkx n SER 91 Cb 0.49 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 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 0.09 -0.45 3.77 0.46 0.00 -1.25 -4.82 105.19 102.98 2dkx n GLY 92 Ca 0.33 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 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 4.22 -0.26 1.61 0.04 -1.26 -4.62 135.00 134.72 2dkx s PRO 93 Ca 0.00 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.01 2dkx s PRO 93 Cb 0.00 -2.87 0.05 0.00 0.04 0.00 0.00 34.50 31.73 2dkx s PRO 93 CO 0.00 -0.21 -0.09 -1.12 0.04 0.00 0.00 177.00 175.61 2dkx s SER 94 N -0.89 4.43 -0.63 6.66 0.01 -1.26 -5.07 113.70 116.95 2dkx s SER 94 Ca 0.53 -1.29 -0.17 0.00 1.31 0.00 0.00 55.95 56.33 2dkx s SER 94 Cb -0.34 -1.58 0.13 0.00 0.21 0.00 0.00 66.02 64.44 2dkx s SER 94 CO 0.44 -0.19 0.66 -0.44 0.41 0.00 0.00 173.24 174.12 2dkx s SER 95 N 1.16 6.31 0.00 2.44 0.01 -1.26 -5.19 113.70 117.17 2dkx s SER 95 Ca -0.07 -1.82 0.00 0.00 1.31 0.00 0.00 55.95 55.37 2dkx s SER 95 Cb -0.19 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2dkx s SER 95 CO -0.05 -0.92 0.34 0.61 0.41 0.00 0.00 173.24 173.63