#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 3.68 -3.67 1.61 7.64 -1.26 -5.01 113.62 116.61 2dkx n SER 2 Ca 0.00 -3.21 -0.09 0.00 1.01 0.00 0.00 58.87 56.57 2dkx n SER 2 Cb 0.00 -0.42 -0.10 0.00 -1.01 0.00 0.00 64.21 62.68 2dkx n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dkx s SER 3 N -3.58 -0.35 0.00 6.43 0.15 -1.26 -5.13 113.70 109.95 2dkx s SER 3 Ca 0.42 0.97 0.00 0.00 0.70 0.00 0.00 55.95 58.03 2dkx s SER 3 Cb 0.39 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.84 2dkx s SER 3 CO -0.03 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.80 2dkx n GLY 4 N 4.97 -0.96 3.84 9.45 0.00 -1.26 -4.96 105.19 116.28 2dkx n GLY 4 Ca -0.14 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.49 6.15 -1.06 1.61 0.15 -1.26 -5.03 113.70 110.76 2dkx s SER 5 Ca 0.00 0.39 -0.21 0.00 0.70 0.00 0.00 55.95 56.83 2dkx s SER 5 Cb 0.00 -1.94 0.08 0.00 -1.71 0.00 0.00 66.02 62.45 2dkx s SER 5 CO 0.00 0.39 1.43 -0.44 1.20 0.00 0.00 173.24 175.82 2dkx s SER 6 N -1.08 6.62 0.00 5.45 0.01 -1.26 -4.67 113.70 118.77 2dkx s SER 6 Ca 0.16 -1.85 0.00 0.00 1.31 0.00 0.00 55.95 55.57 2dkx s SER 6 Cb -0.12 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2dkx s SER 6 CO 0.05 -1.31 0.00 0.61 0.41 0.00 0.00 173.24 173.00 2dkx n GLY 7 N 6.15 0.14 0.02 3.44 0.00 -1.26 -4.76 105.19 108.92 2dkx n GLY 7 Ca 0.34 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.06 0.07 -0.36 0.99 -0.00 -1.26 -2.82 117.00 111.56 2dkx n LEU 8 Ca 0.00 0.53 0.36 0.00 -0.00 0.00 0.00 56.01 56.89 2dkx n LEU 8 Cb 0.00 -0.53 0.73 0.00 -0.00 0.00 0.00 43.42 43.62 2dkx n LEU 8 CO 0.00 -0.44 1.32 0.11 -0.00 0.00 0.00 177.39 178.38 2dkx h LYS 9 N 0.00 0.04 0.00 1.47 1.79 -1.89 1.14 116.57 119.12 2dkx h LYS 9 Ca 0.00 -0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 2dkx h LYS 9 Cb 0.11 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 2dkx h LYS 9 CO 0.00 0.03 -1.09 -0.44 -1.08 0.00 0.00 179.45 176.86 2dkx h ASP 10 N 0.04 0.00 0.08 0.86 3.32 -1.89 -3.37 116.42 115.47 2dkx h ASP 10 Ca 0.61 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.65 2dkx h ASP 10 Cb 2.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.87 2dkx h ASP 10 CO -0.05 0.31 -0.04 0.40 -1.72 0.00 0.00 179.24 178.14 2dkx h ILE 11 N 0.00 1.04 -0.85 0.35 2.04 0.11 -2.98 117.51 117.23 2dkx h ILE 11 Ca -0.07 -0.45 0.18 0.00 1.00 0.00 0.00 64.86 65.51 2dkx h ILE 11 Cb 1.30 1.33 -0.11 0.00 -0.74 0.00 0.00 36.82 38.61 2dkx h ILE 11 CO 0.03 0.11 0.38 1.05 0.00 0.00 0.00 178.15 179.72 2dkx h GLU 12 N -0.32 0.46 0.00 2.37 4.11 -1.60 0.63 114.58 120.24 2dkx h GLU 12 Ca -0.01 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 2dkx h GLU 12 Cb 0.27 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2dkx h GLU 12 CO 0.02 0.31 -0.02 1.15 0.07 0.00 0.00 179.01 180.53 2dkx h THR 13 N 0.48 0.22 0.00 -1.06 2.02 -1.69 -0.12 112.91 112.75 2dkx h THR 13 Ca 0.49 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.51 2dkx h THR 13 Cb 0.83 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2dkx h THR 13 CO -0.45 0.02 -0.77 0.00 0.37 0.00 0.00 175.52 174.69 2dkx n ALA 14 N -2.17 3.42 0.91 6.16 0.00 0.21 -3.85 120.51 125.19 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 0.13 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.24 -0.05 0.00 1.57 -1.48 0.76 116.57 117.14 2dkx h LYS 16 Ca 0.00 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2dkx h LYS 16 Cb 0.54 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 2dkx h LYS 16 CO 0.00 -0.16 0.05 1.37 -0.57 0.00 0.00 179.45 180.14 2dkx h LEU 17 N -0.73 0.00 0.00 2.94 -0.00 -1.79 -0.80 115.31 114.94 2dkx h LEU 17 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.77 2dkx h LEU 17 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2dkx h LEU 17 CO 0.04 0.00 -1.48 0.18 -0.00 0.00 0.00 178.44 177.18 2dkx n LEU 18 N -3.99 0.58 -3.53 0.17 4.77 -1.24 -4.98 117.00 108.77 2dkx n LEU 18 Ca -0.02 0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 55.97 2dkx n LEU 18 Cb 0.14 0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2dkx n LEU 18 CO 0.29 0.01 0.23 -3.20 -1.33 0.00 0.00 177.39 173.39 2dkx n ASN 19 N -2.65 -5.86 -4.58 -1.43 5.15 0.26 -5.00 115.26 101.15 2dkx n ASN 19 Ca -0.07 -0.54 -0.27 0.00 -0.60 0.00 0.00 54.58 53.10 2dkx n ASN 19 Cb 0.69 -4.98 -0.03 0.00 -0.53 0.00 0.00 39.78 34.93 2dkx n ASN 19 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2dkx n ILE 20 N -4.88 0.00 -3.20 -1.44 -5.35 -0.61 -5.02 119.36 98.85 2dkx n ILE 20 Ca -0.02 -2.13 -0.39 0.00 -0.27 0.00 0.00 62.75 59.94 2dkx n ILE 20 Cb 0.57 0.17 -0.06 0.00 -1.74 0.00 0.00 39.64 38.59 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 -2.62 4.78 -0.02 7.28 -1.32 -1.26 -4.80 115.64 117.68 2dkx s THR 21 Ca 0.16 1.29 0.17 0.00 -1.21 0.00 0.00 61.69 62.10 2dkx s THR 21 Cb -0.01 -3.94 0.17 0.00 -1.51 0.00 0.00 72.50 67.21 2dkx s THR 21 CO 0.10 0.48 1.47 0.00 -2.21 0.00 0.00 174.62 174.46 2dkx h ALA 22 N 5.07 1.13 -2.61 11.08 0.00 -1.95 -3.39 119.26 128.60 2dkx h ALA 22 Ca -0.47 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 53.81 2dkx h ALA 22 Cb 1.21 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 2dkx h ALA 22 CO 0.67 -0.13 -0.12 0.34 0.00 0.00 0.00 179.25 180.00 2dkx s ASP 23 N -3.70 6.32 0.28 0.00 -1.08 -1.26 -4.72 116.67 112.51 2dkx s ASP 23 Ca -0.02 0.26 0.05 0.00 -0.52 0.00 0.00 52.55 52.33 2dkx s ASP 23 Cb 0.05 -2.25 0.39 0.00 -1.46 0.00 0.00 42.92 39.65 2dkx s ASP 23 CO 0.16 -0.29 1.66 1.55 0.52 0.00 0.00 175.17 178.76 2dkx h PRO 24 N 8.20 0.26 0.00 4.34 0.13 -1.86 -2.62 132.00 140.46 2dkx h PRO 24 Ca -0.30 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2dkx h PRO 24 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2dkx h PRO 24 CO 0.70 0.67 0.00 -1.33 -0.23 0.00 0.00 178.00 177.81 2dkx n MET 25 N -3.99 0.24 -0.00 0.86 2.81 -1.25 -2.00 117.12 113.79 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 0.52 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.43 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 -1.29 0.85 -4.39 7.83 9.92 -0.99 -2.72 116.55 125.76 2dkx n ASP 26 Ca 0.08 -0.69 -0.55 0.00 -0.53 0.00 0.00 54.79 53.10 2dkx n ASP 26 Cb 0.14 1.14 -0.09 0.00 -0.64 0.00 0.00 41.12 41.67 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 -1.49 1.46 -3.56 1.24 8.01 -0.85 -4.81 117.44 117.44 2dkx n TRP 27 Ca 0.02 0.48 -0.09 0.00 -1.31 0.00 0.00 57.50 56.60 2dkx n TRP 27 Cb 0.27 -2.43 -0.04 0.00 -2.01 0.00 0.00 31.31 27.10 2dkx n TRP 27 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2dkx s SER 28 N 6.59 -0.34 -0.02 -0.99 0.15 -1.26 -0.74 113.70 117.09 2dkx s SER 28 Ca 1.13 0.24 -0.26 0.00 0.70 0.00 0.00 55.95 57.76 2dkx s SER 28 Cb -1.12 0.30 -0.20 0.00 -1.71 0.00 0.00 66.02 63.30 2dkx s SER 28 CO 0.57 -0.40 1.24 1.55 1.20 0.00 0.00 173.24 177.40 2dkx h PRO 29 N 2.33 -0.04 -0.26 5.44 0.13 -2.02 -3.38 132.00 134.21 2dkx h PRO 29 Ca -0.18 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.80 2dkx h PRO 29 Cb 1.19 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 2dkx h PRO 29 CO 0.30 0.43 -0.28 -1.13 -0.23 0.00 0.00 178.00 177.10 2dkx n SER 30 N -4.88 2.43 0.15 1.44 3.41 -1.26 -4.72 113.62 110.19 2dkx n SER 30 Ca -0.08 -3.84 0.17 0.00 -0.26 0.00 0.00 58.87 54.85 2dkx n SER 30 Cb 0.25 -0.58 0.76 0.00 -0.26 0.00 0.00 64.21 64.37 2dkx n SER 30 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2dkx h ASN 31 N 1.10 0.00 -0.23 4.04 4.21 -1.79 -2.40 115.58 120.51 2dkx h ASN 31 Ca 0.16 0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.73 2dkx h ASN 31 Cb 1.39 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 38.52 2dkx h ASN 31 CO 0.29 0.00 -0.27 0.58 -1.29 0.00 0.00 177.43 176.74 2dkx h VAL 32 N 0.00 0.35 -1.07 2.81 2.07 -1.85 -0.48 116.25 118.07 2dkx h VAL 32 Ca 0.13 0.00 0.37 0.00 0.82 0.00 0.00 66.70 68.02 2dkx h VAL 32 Cb 0.60 0.35 -0.15 0.00 -1.52 0.00 0.00 31.29 30.56 2dkx h VAL 32 CO -0.00 0.00 0.63 1.56 0.02 0.00 0.00 177.57 179.78 2dkx h GLN 33 N -0.29 0.19 -0.78 1.57 1.08 -1.78 0.96 115.11 116.06 2dkx h GLN 33 Ca 0.13 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 2dkx h GLN 33 Cb 0.49 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.84 2dkx h GLN 33 CO -0.39 0.12 0.36 0.87 -0.95 0.00 0.00 178.83 178.84 2dkx h LYS 34 N 0.19 1.14 0.00 1.46 1.57 -1.23 -0.99 116.57 118.71 2dkx h LYS 34 Ca 0.78 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 59.38 2dkx h LYS 34 Cb 2.01 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 34.12 2dkx h LYS 34 CO -0.59 0.89 -0.02 2.35 -0.57 0.00 0.00 179.45 181.51 2dkx h TRP 35 N 1.11 0.00 0.04 -1.35 7.01 0.10 -3.04 115.95 119.82 2dkx h TRP 35 Ca 0.27 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.27 2dkx h TRP 35 Cb 0.14 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 2dkx h TRP 35 CO 0.01 0.02 -0.02 -0.07 -2.79 0.00 0.00 178.44 175.59 2dkx h LEU 36 N 0.00 -0.04 -2.02 0.65 3.38 -0.33 -3.20 115.31 113.75 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 0.73 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2dkx h LEU 36 CO 0.00 0.38 0.30 0.17 0.09 0.00 0.00 178.44 179.38 2dkx h LEU 37 N -0.88 0.00 0.03 1.67 8.10 -1.31 0.29 115.31 123.20 2dkx h LEU 37 Ca -0.01 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 2dkx h LEU 37 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.26 2dkx h LEU 37 CO 0.01 0.00 -0.01 -0.25 -4.11 0.00 0.00 178.44 174.08 2dkx h TRP 38 N 0.00 -0.03 0.00 0.17 -0.00 -1.61 -3.08 115.95 111.39 2dkx h TRP 38 Ca 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.86 2dkx h TRP 38 Cb 0.60 0.01 -0.00 0.00 -0.00 0.00 0.00 29.16 29.76 2dkx h TRP 38 CO 0.00 -0.02 -0.15 1.15 -0.00 0.00 0.00 178.44 179.42 2dkx h THR 39 N -0.07 0.57 0.00 2.65 2.02 -1.47 -2.12 112.91 114.49 2dkx h THR 39 Ca -0.00 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 2dkx h THR 39 Cb 0.03 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2dkx h THR 39 CO 0.01 0.15 -0.10 -0.08 0.37 0.00 0.00 175.52 175.86 2dkx h GLU 40 N 0.00 0.00 -0.00 6.66 4.81 -0.54 -0.93 114.58 124.58 2dkx h GLU 40 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2dkx h GLU 40 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2dkx h GLU 40 CO 0.02 0.10 -0.65 1.58 -0.73 0.00 0.00 179.01 179.33 2dkx n HIS 41 N -3.44 0.00 0.12 0.92 -0.00 -0.81 -0.97 115.22 111.05 2dkx n HIS 41 Ca -0.01 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.27 2dkx n HIS 41 Cb 0.26 -0.09 -0.16 0.00 -0.12 0.00 0.00 29.99 29.88 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 -1.10 0.58 0.00 1.57 6.02 -0.65 -4.37 117.38 119.42 2dkx n GLN 42 Ca 0.07 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2dkx n GLN 42 Cb 0.36 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.12 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 -2.14 0.00 -3.53 1.08 4.02 -0.45 -5.01 117.16 111.13 2dkx n TYR 43 Ca -0.03 -0.16 -0.19 0.00 -0.01 0.00 0.00 57.90 57.50 2dkx n TYR 43 Cb 0.52 -0.02 0.07 0.00 -0.02 0.00 0.00 39.34 39.90 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 -0.16 -6.38 -3.29 -0.72 3.00 -0.98 -4.99 116.66 103.13 2dkx n ARG 44 Ca 0.00 0.79 -0.28 0.00 -0.01 0.00 0.00 57.85 58.35 2dkx n ARG 44 Cb 0.10 -5.70 -0.03 0.00 0.00 0.00 0.00 32.46 26.83 2dkx n ARG 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2dkx s LEU 45 N -6.58 4.02 1.02 0.55 1.43 -0.14 -5.03 118.68 113.95 2dkx s LEU 45 Ca 0.10 0.70 -0.13 0.00 -1.03 0.00 0.00 54.13 53.78 2dkx s LEU 45 Cb -0.05 -3.53 0.20 0.00 0.03 0.00 0.00 46.19 42.84 2dkx s LEU 45 CO 0.75 -0.23 1.09 -2.16 0.23 0.00 0.00 176.35 176.03 2dkx s PRO 46 N -3.71 0.25 -0.57 1.29 0.04 -1.26 -4.80 135.00 126.23 2dkx s PRO 46 Ca 0.44 0.46 -0.27 0.00 0.04 0.00 0.00 61.00 61.67 2dkx s PRO 46 Cb -0.11 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 2dkx s PRO 46 CO 0.31 -2.84 1.84 -1.25 0.04 0.00 0.00 177.00 175.11 2dkx s PRO 47 N -4.98 2.73 0.05 0.56 0.04 -1.26 -4.79 135.00 127.34 2dkx s PRO 47 Ca 0.66 0.71 0.21 0.00 0.04 0.00 0.00 61.00 62.61 2dkx s PRO 47 Cb -0.18 -4.36 -0.18 0.00 0.04 0.00 0.00 34.50 29.82 2dkx s PRO 47 CO 0.58 -2.60 0.70 -1.33 0.04 0.00 0.00 177.00 174.38 2dkx n MET 48 N 9.07 0.64 -0.33 4.56 2.81 -1.26 -4.32 117.12 128.29 2dkx n MET 48 Ca 0.21 0.02 0.28 0.00 -1.81 0.00 0.00 57.70 56.39 2dkx n MET 48 Cb 0.51 -1.68 0.53 0.00 -0.71 0.00 0.00 33.22 31.87 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 3.94 2.13 1.43 3.03 0.00 -1.93 1.34 103.07 113.01 2dkx h GLY 49 Ca -0.09 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 2dkx h GLY 49 CO 0.01 -0.68 -0.09 1.70 0.00 0.00 0.00 176.54 177.48 2dkx h LYS 50 N 0.11 0.68 0.02 4.80 3.11 -1.99 1.22 116.57 124.53 2dkx h LYS 50 Ca 0.79 -0.21 -0.22 0.00 -2.81 0.00 0.00 60.65 58.21 2dkx h LYS 50 Cb 1.98 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 33.12 2dkx h LYS 50 CO -0.73 0.76 -1.02 0.00 -2.81 0.00 0.00 179.45 175.66 2dkx h ALA 51 N 1.27 0.35 -0.57 5.00 0.00 0.13 -3.23 119.26 122.20 2dkx h ALA 51 Ca 0.11 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2dkx h ALA 51 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2dkx h ALA 51 CO 0.03 1.16 0.00 1.19 0.00 0.00 0.00 179.25 181.63 2dkx n PHE 52 N -3.42 0.76 -0.26 0.00 3.01 0.12 -4.48 117.46 113.19 2dkx n PHE 52 Ca -0.02 -0.43 0.11 0.00 1.01 0.00 0.00 57.45 58.13 2dkx n PHE 52 Cb 0.93 -0.00 0.38 0.00 -0.01 0.00 0.00 39.48 40.78 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 3.92 0.67 0.00 -1.08 3.07 0.15 0.20 115.11 122.04 2dkx h GLN 53 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.70 2dkx h GLN 53 Cb 0.93 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 28.34 2dkx h GLN 53 CO 0.00 0.44 -0.47 -0.85 0.09 0.00 0.00 178.83 178.04 2dkx n GLU 54 N -4.55 0.02 -2.84 0.06 0.28 -1.26 -4.90 120.64 107.46 2dkx n GLU 54 Ca 0.16 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.85 2dkx n GLU 54 Cb 0.44 -1.51 -0.05 0.00 1.43 0.00 0.00 31.44 31.76 2dkx n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2dkx s LEU 55 N -3.07 3.87 0.00 -1.84 1.43 0.71 -5.09 118.68 114.69 2dkx s LEU 55 Ca 0.11 1.33 0.03 0.00 -1.03 0.00 0.00 54.13 54.57 2dkx s LEU 55 Cb 0.17 -4.20 -0.01 0.00 0.03 0.00 0.00 46.19 42.18 2dkx s LEU 55 CO 0.69 -0.38 0.12 0.00 0.23 0.00 0.00 176.35 177.01 2dkx n ALA 56 N -1.01 0.56 0.05 4.21 0.00 -1.26 -4.88 120.51 118.18 2dkx n ALA 56 Ca 0.04 -2.21 -0.12 0.00 0.00 0.00 0.00 53.44 51.15 2dkx n ALA 56 Cb 0.54 1.42 -0.05 0.00 0.00 0.00 0.00 19.45 21.35 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 1.60 -0.60 0.54 0.00 0.00 -1.06 -0.98 103.07 102.57 2dkx h GLY 57 Ca -0.36 0.43 0.04 0.00 0.00 0.00 0.00 47.33 47.44 2dkx h GLY 57 CO 0.57 -0.24 -0.12 0.07 0.00 0.00 0.00 176.54 176.82 2dkx h LYS 58 N -0.50 -0.15 -0.01 4.80 2.10 -1.63 -2.65 116.57 118.54 2dkx h LYS 58 Ca 0.06 0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.73 2dkx h LYS 58 Cb 0.59 0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.93 2dkx h LYS 58 CO -0.30 -0.10 -0.22 0.93 -2.00 0.00 0.00 179.45 177.77 2dkx h GLU 59 N -0.15 -0.26 -0.91 0.07 4.39 -1.82 0.79 114.58 116.69 2dkx h GLU 59 Ca 0.08 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.90 2dkx h GLU 59 Cb 0.27 0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 28.86 2dkx h GLU 59 CO -0.21 -0.18 -0.48 1.28 -1.16 0.00 0.00 179.01 178.27 2dkx n LEU 60 N -3.72 -0.84 0.25 1.33 4.32 -0.40 0.23 117.00 118.16 2dkx n LEU 60 Ca -0.03 1.60 0.11 0.00 -0.02 0.00 0.00 56.01 57.68 2dkx n LEU 60 Cb 0.16 -0.26 0.65 0.00 -1.62 0.00 0.00 43.42 42.35 2dkx n LEU 60 CO 0.05 -1.35 0.93 0.00 -1.22 0.00 0.00 177.39 175.80 2dkx n ALA 62 N -2.30 2.90 -1.92 0.00 0.00 0.63 -4.88 120.51 114.94 2dkx n ALA 62 Ca -0.02 -0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.07 2dkx n ALA 62 Cb 0.28 -1.30 0.09 0.00 0.00 0.00 0.00 19.45 18.51 2dkx n ALA 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2dkx n MET 63 N -1.36 -0.25 -4.27 0.00 2.00 0.30 -5.00 117.12 108.53 2dkx n MET 63 Ca 0.08 -1.23 -0.19 0.00 0.00 0.00 0.00 57.70 56.36 2dkx n MET 63 Cb 0.32 -0.54 -0.13 0.00 0.00 0.00 0.00 33.22 32.88 2dkx n MET 63 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2dkx s SER 64 N -3.34 1.64 0.09 7.83 0.01 -1.26 -5.02 113.70 113.65 2dkx s SER 64 Ca 0.37 -0.52 -0.17 0.00 1.31 0.00 0.00 55.95 56.94 2dkx s SER 64 Cb -0.01 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 2dkx s SER 64 CO 0.25 -0.02 1.02 1.21 0.41 0.00 0.00 173.24 176.12 2dkx n GLU 65 N 1.64 -0.24 -0.30 12.44 2.13 -1.26 0.17 120.64 135.22 2dkx n GLU 65 Ca -0.19 1.00 0.12 0.00 0.66 0.00 0.00 57.16 58.75 2dkx n GLU 65 Cb 0.54 -1.48 0.28 0.00 0.27 0.00 0.00 31.44 31.06 2dkx n GLU 65 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2dkx h GLU 66 N 0.00 0.33 -0.85 5.31 4.81 -1.97 0.36 114.58 122.57 2dkx h GLU 66 Ca 0.09 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2dkx h GLU 66 Cb 0.23 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 2dkx h GLU 66 CO -0.52 0.22 0.56 1.96 -0.73 0.00 0.00 179.01 180.50 2dkx h GLN 67 N 0.34 1.09 0.00 1.92 1.08 0.13 -0.59 115.11 119.07 2dkx h GLN 67 Ca 0.54 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.63 2dkx h GLN 67 Cb 1.02 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 2dkx h GLN 67 CO -0.55 0.72 -0.21 0.74 -0.95 0.00 0.00 178.83 178.58 2dkx h PHE 68 N 1.12 0.00 0.00 2.96 -1.00 0.10 -2.42 116.94 117.70 2dkx h PHE 68 Ca 0.32 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.10 2dkx h PHE 68 Cb -0.07 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.49 2dkx h PHE 68 CO -0.00 0.21 -0.67 0.00 -1.61 0.00 0.00 178.31 176.24 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.45 -2.52 114.38 116.01 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 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2dkx h ARG 69 CO 0.03 0.01 -0.31 1.96 -1.07 0.00 0.00 179.97 180.58 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 1.08 -0.68 -3.13 115.11 112.42 2dkx h GLN 70 Ca -0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 2dkx h GLN 70 Cb 1.01 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.41 2dkx h GLN 70 CO 0.00 0.31 -1.93 2.89 -0.95 0.00 0.00 178.83 179.15 2dkx n ARG 71 N -3.86 1.01 -3.70 1.46 1.85 -1.23 -4.83 116.66 107.36 2dkx n ARG 71 Ca -0.01 -0.08 -0.30 0.00 -1.00 0.00 0.00 57.85 56.46 2dkx n ARG 71 Cb 0.39 -1.40 -0.14 0.00 -1.05 0.00 0.00 32.46 30.26 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 -4.47 3.76 0.01 2.89 0.15 -0.95 -4.96 113.70 110.13 2dkx s SER 72 Ca -0.07 -2.15 -0.23 0.00 0.70 0.00 0.00 55.95 54.20 2dkx s SER 72 Cb 0.07 -0.90 -0.18 0.00 -1.71 0.00 0.00 66.02 63.31 2dkx s SER 72 CO 0.67 -0.34 1.31 1.55 1.20 0.00 0.00 173.24 177.63 2dkx h PRO 73 N 7.36 0.16 0.00 5.44 0.13 -1.83 0.35 132.00 143.61 2dkx h PRO 73 Ca -0.06 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 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 0.45 0.60 -0.08 -0.07 -0.23 0.00 0.00 178.00 178.68 2dkx h LEU 74 N -0.27 0.00 0.00 1.56 3.38 -1.94 -3.41 115.31 114.63 2dkx h LEU 74 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2dkx h LEU 74 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2dkx h LEU 74 CO 0.02 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.23 2dkx n GLY 75 N -0.50 0.40 6.38 0.83 0.00 -1.17 -4.92 105.19 106.21 2dkx n GLY 75 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 4.39 0.44 0.32 -0.02 0.00 0.12 -2.25 105.19 108.19 2dkx n GLY 76 Ca 0.00 0.57 0.16 0.00 0.00 0.00 0.00 46.02 46.75 2dkx n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dkx n ASP 77 N 3.68 -0.04 -0.21 1.61 -0.08 -1.26 0.12 116.55 120.37 2dkx n ASP 77 Ca 0.00 1.59 0.01 0.00 -1.51 0.00 0.00 54.79 54.87 2dkx n ASP 77 Cb 0.00 -0.61 0.11 0.00 2.34 0.00 0.00 41.12 42.97 2dkx n ASP 77 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 2dkx h VAL 78 N 0.00 0.73 0.53 5.18 3.04 -1.82 0.37 116.25 124.28 2dkx h VAL 78 Ca 0.60 -0.13 -0.03 0.00 -1.01 0.00 0.00 66.70 66.14 2dkx h VAL 78 Cb 1.32 0.32 0.01 0.00 -2.01 0.00 0.00 31.29 30.93 2dkx h VAL 78 CO -0.86 0.07 -0.26 -0.07 -1.01 0.00 0.00 177.57 175.45 2dkx h LEU 79 N 0.38 -0.60 -1.98 3.16 3.38 0.70 0.22 115.31 120.56 2dkx h LEU 79 Ca 0.32 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.44 2dkx h LEU 79 Cb 0.42 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2dkx h LEU 79 CO -0.33 -0.37 0.45 -0.74 0.09 0.00 0.00 178.44 177.53 2dkx h HIS 80 N -0.83 0.00 0.05 1.13 2.76 -1.26 -0.05 115.15 116.95 2dkx h HIS 80 Ca -0.07 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2dkx h HIS 80 Cb 0.55 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.51 2dkx h HIS 80 CO 0.07 0.00 -0.03 0.00 -1.30 0.00 0.00 177.93 176.67 2dkx h ALA 81 N 1.52 -0.10 0.00 5.26 0.00 -0.05 -2.64 119.26 123.25 2dkx h ALA 81 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2dkx h ALA 81 Cb 1.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2dkx h ALA 81 CO -0.00 -0.10 0.12 1.58 0.00 0.00 0.00 179.25 180.85 2dkx n HIS 82 N -3.76 0.39 0.00 0.00 -0.00 0.75 -1.05 115.22 111.55 2dkx n HIS 82 Ca -0.01 0.20 -0.22 0.00 -0.00 0.00 0.00 57.72 57.70 2dkx n HIS 82 Cb 0.03 -0.73 -0.14 0.00 -0.00 0.00 0.00 29.99 29.15 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 0.37 -0.96 0.27 5.85 -1.08 -3.37 115.31 116.39 2dkx h LEU 83 Ca 0.00 -0.86 0.31 0.00 0.84 0.00 0.00 57.88 58.17 2dkx h LEU 83 Cb 0.23 -0.12 -0.16 0.00 0.37 0.00 0.00 40.66 40.98 2dkx h LEU 83 CO 0.00 1.72 0.32 -0.78 -0.34 0.00 0.00 178.44 179.36 2dkx h ASP 84 N -0.20 0.06 -0.54 1.25 3.58 -0.70 0.55 116.42 120.41 2dkx h ASP 84 Ca -0.36 0.23 0.06 0.00 0.42 0.00 0.00 57.03 57.38 2dkx h ASP 84 Cb 1.85 0.30 -0.05 0.00 1.72 0.00 0.00 39.33 43.14 2dkx h ASP 84 CO 0.05 -0.27 0.26 0.40 -2.88 0.00 0.00 179.24 176.80 2dkx h ILE 85 N 0.13 0.92 0.29 2.25 5.03 -1.72 0.25 117.51 124.67 2dkx h ILE 85 Ca 0.67 -0.17 -0.01 0.00 -0.12 0.00 0.00 64.86 65.23 2dkx h ILE 85 Cb 1.53 0.38 0.00 0.00 -3.03 0.00 0.00 36.82 35.70 2dkx h ILE 85 CO -0.74 0.09 -0.14 -0.50 -0.68 0.00 0.00 178.15 176.18 2dkx h TRP 86 N 0.50 -0.36 -0.95 1.37 4.06 -0.13 -2.08 115.95 118.36 2dkx h TRP 86 Ca 0.25 -0.01 0.25 0.00 2.06 0.00 0.00 58.89 61.43 2dkx h TRP 86 Cb 0.19 0.12 -0.13 0.00 -1.00 0.00 0.00 29.16 28.34 2dkx h TRP 86 CO -0.11 -0.22 0.48 1.57 -3.56 0.00 0.00 178.44 176.59 2dkx h LYS 87 N -0.52 0.43 -0.90 0.49 2.10 -1.28 0.40 116.57 117.29 2dkx h LYS 87 Ca -0.04 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 2dkx h LYS 87 Cb 0.30 -0.10 -0.04 0.00 -0.90 0.00 0.00 32.23 31.49 2dkx h LYS 87 CO 0.07 0.29 0.54 1.03 -2.00 0.00 0.00 179.45 179.37 2dkx h SER 88 N 0.44 1.09 1.82 7.07 0.87 -0.50 0.18 113.55 124.52 2dkx h SER 88 Ca 0.62 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 2dkx h SER 88 Cb 1.22 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2dkx h SER 88 CO -0.53 0.84 0.00 0.00 -0.53 0.00 0.00 176.83 176.61 2dkx h ALA 89 N 1.29 1.00 0.00 6.23 0.00 0.35 -3.15 119.26 124.98 2dkx h ALA 89 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2dkx h ALA 89 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2dkx h ALA 89 CO -0.06 0.00 -0.89 0.00 0.00 0.00 0.00 179.25 178.30 2dkx h ALA 90 N 2.11 0.52 -0.22 0.00 0.00 0.38 -3.35 119.26 118.71 2dkx h ALA 90 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2dkx h ALA 90 Cb 0.91 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 2dkx h ALA 90 CO 0.00 0.00 0.15 0.45 0.00 0.00 0.00 179.25 179.85 2dkx n SER 91 N -2.51 3.72 0.00 0.00 2.88 0.54 -4.91 113.62 113.34 2dkx n SER 91 Ca 0.01 -2.42 0.00 0.00 -1.33 0.00 0.00 58.87 55.13 2dkx n SER 91 Cb 0.52 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 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 0.31 2.35 0.21 0.46 0.00 -1.26 -3.37 105.19 103.90 2dkx n GLY 92 Ca 0.13 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 2dkx n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkx h PRO 93 N 0.00 0.68 0.00 1.61 0.13 -1.90 -3.35 132.00 129.17 2dkx h PRO 93 Ca 0.00 -0.36 -0.14 0.00 -0.87 0.00 0.00 66.00 64.63 2dkx h PRO 93 Cb 0.00 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 2dkx h PRO 93 CO 0.00 0.97 -1.49 0.43 -0.23 0.00 0.00 178.00 177.68 2dkx n SER 94 N -4.28 1.32 -0.29 1.44 7.64 -1.26 -4.73 113.62 113.45 2dkx n SER 94 Ca -0.04 0.07 -0.02 0.00 1.01 0.00 0.00 58.87 59.89 2dkx n SER 94 Cb 0.46 -0.23 0.01 0.00 -1.01 0.00 0.00 64.21 63.44 2dkx n SER 94 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dkx n SER 95 N -3.23 -0.54 0.00 6.43 7.64 -1.26 -5.20 113.62 117.45 2dkx n SER 95 Ca -0.17 1.31 0.00 0.00 1.01 0.00 0.00 58.87 61.02 2dkx n SER 95 Cb 0.63 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2dkx n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64