#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkx s SER 2 N 0.00 -0.19 -0.06 1.61 1.04 -1.26 -5.15 113.70 109.68 2dkx s SER 2 Ca 0.00 0.41 0.06 0.00 0.48 0.00 0.00 55.95 56.90 2dkx s SER 2 Cb 0.00 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 2dkx s SER 2 CO 0.00 -0.14 -0.25 -0.44 0.98 0.00 0.00 173.24 173.40 2dkx s SER 3 N 0.94 3.03 -0.40 7.02 0.01 -1.26 -5.08 113.70 117.96 2dkx s SER 3 Ca -0.07 -0.51 0.04 0.00 1.31 0.00 0.00 55.95 56.72 2dkx s SER 3 Cb -0.09 -0.88 0.16 0.00 0.21 0.00 0.00 66.02 65.43 2dkx s SER 3 CO -0.05 0.23 0.40 -0.83 0.41 0.00 0.00 173.24 173.40 2dkx s GLY 4 N -0.12 0.28 -0.29 3.44 0.00 -1.26 -5.08 107.32 104.30 2dkx s GLY 4 Ca -0.05 -1.47 -0.16 0.00 0.00 0.00 0.00 44.72 43.04 2dkx s GLY 4 CO 0.04 2.61 0.94 -0.56 0.00 0.00 0.00 173.10 176.13 2dkx s SER 5 N 0.86 -0.57 0.41 1.64 0.01 -1.26 -5.15 113.70 109.64 2dkx s SER 5 Ca 0.24 0.91 -0.22 0.00 1.31 0.00 0.00 55.95 58.19 2dkx s SER 5 Cb -0.08 1.27 -0.13 0.00 0.21 0.00 0.00 66.02 67.29 2dkx s SER 5 CO -0.08 -0.14 0.44 -0.24 0.41 0.00 0.00 173.24 173.63 2dkx n SER 6 N 3.88 -1.34 0.00 2.44 2.88 -1.26 -4.03 113.62 116.19 2dkx n SER 6 Ca -0.18 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 2dkx n SER 6 Cb 0.57 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 2dkx n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkx n GLY 7 N 1.91 2.05 0.22 0.46 0.00 -1.26 -4.76 105.19 103.82 2dkx n GLY 7 Ca 0.12 -0.70 0.16 0.00 0.00 0.00 0.00 46.02 45.59 2dkx n GLY 7 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2dkx h LEU 8 N 0.00 0.00 -1.89 0.99 8.10 -1.91 -3.03 115.31 117.58 2dkx h LEU 8 Ca 0.00 0.00 0.45 0.00 0.11 0.00 0.00 57.88 58.44 2dkx h LEU 8 Cb 0.00 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.15 2dkx h LEU 8 CO 0.00 0.00 1.09 0.11 -4.11 0.00 0.00 178.44 175.53 2dkx h LYS 9 N 0.00 0.03 0.00 0.17 1.79 -1.86 1.60 116.57 118.30 2dkx h LYS 9 Ca 0.00 -0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 2dkx h LYS 9 Cb 0.26 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 2dkx h LYS 9 CO 0.00 0.02 -1.37 0.22 -1.08 0.00 0.00 179.45 177.24 2dkx h ASP 10 N 0.03 0.00 0.10 0.86 1.82 -1.92 -3.34 116.42 113.97 2dkx h ASP 10 Ca 0.76 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 57.40 2dkx h ASP 10 Cb 2.93 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.94 2dkx h ASP 10 CO -0.08 0.76 -0.05 0.40 -1.61 0.00 0.00 179.24 178.67 2dkx h ILE 11 N 0.00 0.92 -0.94 2.25 2.04 0.21 -2.72 117.51 119.28 2dkx h ILE 11 Ca -0.17 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 65.70 2dkx h ILE 11 Cb 1.73 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 38.71 2dkx h ILE 11 CO 0.07 0.02 0.59 1.05 0.00 0.00 0.00 178.15 179.87 2dkx h GLU 12 N -0.16 0.99 -0.04 2.37 4.11 -1.57 0.38 114.58 120.66 2dkx h GLU 12 Ca -0.01 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.37 2dkx h GLU 12 Cb 0.13 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2dkx h GLU 12 CO 0.02 0.66 0.05 1.15 0.07 0.00 0.00 179.01 180.96 2dkx h THR 13 N 1.02 0.42 0.00 -1.06 2.02 -1.61 0.15 112.91 113.85 2dkx h THR 13 Ca 0.42 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.60 2dkx h THR 13 Cb 0.27 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2dkx h THR 13 CO -0.20 0.00 -0.76 0.00 0.37 0.00 0.00 175.52 174.93 2dkx n ALA 14 N -2.28 3.41 0.91 6.16 0.00 0.07 -3.84 120.51 124.94 2dkx n ALA 14 Ca -0.02 -0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.17 2dkx n ALA 14 Cb 0.14 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.31 -0.00 0.00 1.57 -1.36 0.14 116.57 117.23 2dkx h LYS 16 Ca 0.00 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2dkx h LYS 16 Cb 0.55 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2dkx h LYS 16 CO 0.00 0.95 -0.06 1.47 -0.57 0.00 0.00 179.45 181.25 2dkx n LEU 17 N -4.40 0.23 -0.01 2.94 -0.00 -1.26 -3.34 117.00 111.16 2dkx n LEU 17 Ca -0.09 0.13 0.06 0.00 -0.00 0.00 0.00 56.01 56.10 2dkx n LEU 17 Cb 0.54 -0.21 -0.11 0.00 -0.00 0.00 0.00 43.42 43.64 2dkx n LEU 17 CO 0.42 0.04 -0.68 0.18 -0.00 0.00 0.00 177.39 177.35 2dkx n LEU 18 N -1.10 0.00 -2.38 1.47 4.77 -1.20 -5.01 117.00 113.56 2dkx n LEU 18 Ca 0.15 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.96 2dkx n LEU 18 Cb 0.25 0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2dkx n LEU 18 CO 0.23 0.03 0.01 -3.20 -1.33 0.00 0.00 177.39 173.12 2dkx n ASN 19 N -2.01 -5.08 -4.70 -1.43 2.85 0.46 -5.01 115.26 100.34 2dkx n ASN 19 Ca -0.04 -0.23 -0.29 0.00 -0.11 0.00 0.00 54.58 53.91 2dkx n ASN 19 Cb 0.40 -3.92 -0.04 0.00 1.24 0.00 0.00 39.78 37.46 2dkx n ASN 19 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2dkx n ILE 20 N -4.23 0.00 -3.60 -1.44 -5.35 -0.99 -5.06 119.36 98.70 2dkx n ILE 20 Ca -0.08 -2.26 -0.37 0.00 -0.27 0.00 0.00 62.75 59.76 2dkx n ILE 20 Cb 0.59 0.25 -0.06 0.00 -1.74 0.00 0.00 39.64 38.68 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 -2.75 5.24 0.50 7.28 -1.32 -1.26 -4.79 115.64 118.54 2dkx s THR 21 Ca 0.13 0.60 0.31 0.00 -1.21 0.00 0.00 61.69 61.52 2dkx s THR 21 Cb -0.01 -3.62 0.50 0.00 -1.51 0.00 0.00 72.50 67.86 2dkx s THR 21 CO 0.08 0.52 1.82 0.00 -2.21 0.00 0.00 174.62 174.83 2dkx h ALA 22 N 5.50 2.83 -2.10 11.08 0.00 -1.94 -3.38 119.26 131.23 2dkx h ALA 22 Ca -0.49 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 53.83 2dkx h ALA 22 Cb 1.20 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2dkx h ALA 22 CO 0.66 -1.16 0.79 0.34 0.00 0.00 0.00 179.25 179.87 2dkx s ASP 23 N -5.30 7.10 0.27 0.00 -1.08 -1.26 -4.83 116.67 111.57 2dkx s ASP 23 Ca -0.06 1.42 0.05 0.00 -0.52 0.00 0.00 52.55 53.44 2dkx s ASP 23 Cb 0.23 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 39.53 2dkx s ASP 23 CO 0.80 -0.66 1.66 1.55 0.52 0.00 0.00 175.17 179.04 2dkx h PRO 24 N 7.47 0.26 0.00 4.34 0.13 -1.87 -2.62 132.00 139.72 2dkx h PRO 24 Ca -0.21 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2dkx h PRO 24 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2dkx h PRO 24 CO 0.97 0.67 0.00 -1.33 -0.23 0.00 0.00 178.00 178.08 2dkx n MET 25 N -3.99 0.27 0.00 0.86 2.81 -1.25 -1.93 117.12 113.89 2dkx n MET 25 Ca -0.02 0.11 0.07 0.00 -1.81 0.00 0.00 57.70 56.06 2dkx n MET 25 Cb 0.52 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.47 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 -1.27 0.96 -4.48 7.83 9.92 -0.99 -3.19 116.55 125.34 2dkx n ASP 26 Ca 0.09 -0.98 -0.45 0.00 -0.53 0.00 0.00 54.79 52.91 2dkx n ASP 26 Cb 0.13 0.85 -0.08 0.00 -0.64 0.00 0.00 41.12 41.38 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 -1.00 1.33 -3.50 1.24 8.01 -0.81 -4.87 117.44 117.85 2dkx n TRP 27 Ca 0.04 0.27 -0.15 0.00 -1.31 0.00 0.00 57.50 56.35 2dkx n TRP 27 Cb 0.26 -2.52 -0.04 0.00 -2.01 0.00 0.00 31.31 26.99 2dkx n TRP 27 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 2dkx s SER 28 N 8.83 -0.58 -0.02 -0.99 1.04 -1.26 -1.67 113.70 119.06 2dkx s SER 28 Ca 1.13 0.41 -0.25 0.00 0.48 0.00 0.00 55.95 57.72 2dkx s SER 28 Cb -0.79 0.52 -0.19 0.00 0.10 0.00 0.00 66.02 65.66 2dkx s SER 28 CO 0.44 -0.69 1.22 1.55 0.98 0.00 0.00 173.24 176.74 2dkx h PRO 29 N 2.58 -0.07 -0.73 4.02 0.13 -2.03 -3.38 132.00 132.51 2dkx h PRO 29 Ca -0.28 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.33 2dkx h PRO 29 Cb 1.20 0.02 -0.39 0.00 0.13 0.00 0.00 31.00 31.96 2dkx h PRO 29 CO 0.37 0.39 -0.61 -1.13 -0.23 0.00 0.00 178.00 176.79 2dkx n SER 30 N -4.90 5.01 0.27 1.44 3.41 -1.26 -4.76 113.62 112.84 2dkx n SER 30 Ca -0.08 -3.76 0.11 0.00 -0.26 0.00 0.00 58.87 54.87 2dkx n SER 30 Cb 0.25 -0.42 0.72 0.00 -0.26 0.00 0.00 64.21 64.50 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 2.08 0.00 -0.55 4.04 4.21 -1.76 -2.73 115.58 120.86 2dkx h ASN 31 Ca 0.37 0.00 0.11 0.00 1.21 0.00 0.00 56.30 58.00 2dkx h ASN 31 Cb 1.44 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.54 2dkx h ASN 31 CO 0.80 0.05 -0.05 0.58 -1.29 0.00 0.00 177.43 177.52 2dkx h VAL 32 N 0.00 0.51 -0.99 2.81 2.07 -1.86 0.32 116.25 119.12 2dkx h VAL 32 Ca -0.00 -0.02 0.28 0.00 0.82 0.00 0.00 66.70 67.77 2dkx h VAL 32 Cb 0.11 0.44 -0.14 0.00 -1.52 0.00 0.00 31.29 30.18 2dkx h VAL 32 CO 0.01 0.01 0.56 1.56 0.02 0.00 0.00 177.57 179.73 2dkx h GLN 33 N 0.07 0.43 0.16 1.57 1.08 -1.84 0.94 115.11 117.53 2dkx h GLN 33 Ca 0.28 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.45 2dkx h GLN 33 Cb 0.44 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2dkx h GLN 33 CO -0.51 0.28 -0.08 0.87 -0.95 0.00 0.00 178.83 178.45 2dkx h LYS 34 N 0.44 -0.21 0.00 1.46 1.57 -1.10 -1.20 116.57 117.53 2dkx h LYS 34 Ca 0.68 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.47 2dkx h LYS 34 Cb 1.41 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.77 2dkx h LYS 34 CO -0.55 0.00 -0.03 2.35 -0.57 0.00 0.00 179.45 180.66 2dkx h TRP 35 N -0.40 0.00 0.02 -1.35 7.01 -0.74 -2.11 115.95 118.39 2dkx h TRP 35 Ca -0.02 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.98 2dkx h TRP 35 Cb 0.31 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.37 2dkx h TRP 35 CO -0.01 0.03 -0.01 -0.07 -2.79 0.00 0.00 178.44 175.59 2dkx h LEU 36 N 0.00 -0.03 -1.53 0.65 3.38 -0.51 -3.22 115.31 114.06 2dkx h LEU 36 Ca -0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 2dkx h LEU 36 Cb 0.08 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2dkx h LEU 36 CO 0.00 0.02 0.70 0.17 0.09 0.00 0.00 178.44 179.43 2dkx h LEU 37 N -0.12 0.00 0.00 1.67 8.10 -1.22 0.33 115.31 124.07 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 0.01 0.00 0.00 1.87 -4.11 0.00 0.00 178.44 176.21 2dkx n TRP 38 N -3.31 0.00 0.12 0.17 -0.00 -0.80 -2.78 117.44 110.85 2dkx n TRP 38 Ca 0.09 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.60 2dkx n TRP 38 Cb 0.87 -0.33 0.31 0.00 -0.00 0.00 0.00 31.31 32.16 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 1.25 -0.67 5.87 2.02 -1.44 -2.68 112.91 117.25 2dkx h THR 39 Ca 0.00 -1.19 0.19 0.00 0.77 0.00 0.00 66.41 66.18 2dkx h THR 39 Cb 0.00 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 2dkx h THR 39 CO 0.00 0.36 0.48 -0.08 0.37 0.00 0.00 175.52 176.64 2dkx h GLU 40 N 0.17 0.06 0.00 6.66 4.81 -0.45 0.63 114.58 126.47 2dkx h GLU 40 Ca 0.03 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2dkx h GLU 40 Cb 0.62 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2dkx h GLU 40 CO 0.04 0.04 -0.57 1.58 -0.73 0.00 0.00 179.01 179.37 2dkx n HIS 41 N -4.36 0.38 0.54 0.92 -0.00 -1.01 -0.51 115.22 111.18 2dkx n HIS 41 Ca 0.13 0.11 0.11 0.00 0.46 0.00 0.00 57.72 58.53 2dkx n HIS 41 Cb 0.71 -0.54 0.02 0.00 -0.12 0.00 0.00 29.99 30.06 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 -1.92 0.30 0.00 1.57 6.02 0.20 -4.16 117.38 119.39 2dkx n GLN 42 Ca 0.04 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2dkx n GLN 42 Cb 0.41 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.07 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 -1.99 0.00 -3.49 1.08 4.02 0.03 -5.01 117.16 111.80 2dkx n TYR 43 Ca 0.02 -0.02 -0.21 0.00 -0.01 0.00 0.00 57.90 57.68 2dkx n TYR 43 Cb 0.44 -0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.84 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 -0.02 -7.22 -2.88 -0.72 5.12 -0.64 -4.99 116.66 105.31 2dkx n ARG 44 Ca 0.00 0.80 -0.29 0.00 -1.93 0.00 0.00 57.85 56.42 2dkx n ARG 44 Cb 0.04 -5.73 -0.03 0.00 -1.16 0.00 0.00 32.46 25.59 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 -6.75 3.83 1.02 0.55 1.43 0.33 -5.03 118.68 114.06 2dkx s LEU 45 Ca 0.39 1.04 -0.13 0.00 -1.03 0.00 0.00 54.13 54.40 2dkx s LEU 45 Cb -0.17 -3.92 0.20 0.00 0.03 0.00 0.00 46.19 42.33 2dkx s LEU 45 CO 0.70 -0.40 1.09 -2.16 0.23 0.00 0.00 176.35 175.81 2dkx s PRO 46 N -3.97 0.23 -0.62 1.29 0.04 -1.26 -4.80 135.00 125.91 2dkx s PRO 46 Ca 0.49 0.45 -0.26 0.00 0.04 0.00 0.00 61.00 61.72 2dkx s PRO 46 Cb -0.10 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 2dkx s PRO 46 CO 0.34 -2.85 1.87 -1.25 0.04 0.00 0.00 177.00 175.14 2dkx s PRO 47 N -4.99 2.62 -0.01 0.56 0.04 -1.26 -4.79 135.00 127.16 2dkx s PRO 47 Ca 0.66 0.59 0.15 0.00 0.04 0.00 0.00 61.00 62.44 2dkx s PRO 47 Cb -0.18 -4.41 -0.19 0.00 0.04 0.00 0.00 34.50 29.75 2dkx s PRO 47 CO 0.58 -2.76 0.68 -1.33 0.04 0.00 0.00 177.00 174.20 2dkx n MET 48 N 9.18 0.63 -0.33 4.56 2.81 -1.26 -4.28 117.12 128.43 2dkx n MET 48 Ca 0.21 0.23 0.15 0.00 -1.81 0.00 0.00 57.70 56.48 2dkx n MET 48 Cb 0.52 -1.77 0.30 0.00 -0.71 0.00 0.00 33.22 31.56 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 1.49 -1.27 0.34 3.03 0.00 -1.26 0.20 105.19 107.72 2dkx n GLY 49 Ca -0.15 0.93 0.03 0.00 0.00 0.00 0.00 46.02 46.84 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 0.82 0.00 1.61 1.63 -1.99 1.00 116.57 119.63 2dkx h LYS 50 Ca 0.60 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 60.27 2dkx h LYS 50 Cb 1.26 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 2dkx h LYS 50 CO -0.89 0.54 -0.75 0.00 -3.45 0.00 0.00 179.45 174.90 2dkx h ALA 51 N 1.60 0.69 -0.54 5.00 0.00 0.19 -3.28 119.26 122.92 2dkx h ALA 51 Ca 0.26 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2dkx h ALA 51 Cb 0.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2dkx h ALA 51 CO -0.07 0.43 0.00 1.19 0.00 0.00 0.00 179.25 180.80 2dkx n PHE 52 N -2.99 0.97 -0.13 0.00 3.01 0.19 -4.51 117.46 114.00 2dkx n PHE 52 Ca -0.01 -0.57 0.04 0.00 1.01 0.00 0.00 57.45 57.92 2dkx n PHE 52 Cb 0.68 -0.11 0.35 0.00 -0.01 0.00 0.00 39.48 40.39 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 3.29 0.73 0.00 -1.08 4.20 0.95 -1.10 115.11 122.09 2dkx h GLN 53 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2dkx h GLN 53 Cb 1.09 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2dkx h GLN 53 CO 0.09 0.48 -0.64 1.05 -0.67 0.00 0.00 178.83 179.15 2dkx h GLU 54 N 0.75 0.00 -7.36 1.46 4.11 -1.84 -3.47 114.58 108.23 2dkx h GLU 54 Ca 0.25 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 59.17 2dkx h GLU 54 Cb 0.06 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.40 2dkx h GLU 54 CO -0.07 0.00 0.38 -0.51 0.07 0.00 0.00 179.01 178.88 2dkx s LEU 55 N -4.84 3.05 0.28 3.06 1.43 -0.42 -5.08 118.68 116.16 2dkx s LEU 55 Ca 0.04 1.50 0.01 0.00 -1.03 0.00 0.00 54.13 54.66 2dkx s LEU 55 Cb 0.11 -4.36 -0.03 0.00 0.03 0.00 0.00 46.19 41.94 2dkx s LEU 55 CO 0.73 -1.42 0.27 0.00 0.23 0.00 0.00 176.35 176.15 2dkx s ALA 56 N -3.11 1.30 0.19 4.21 0.00 -1.26 -4.93 121.76 118.16 2dkx s ALA 56 Ca 0.58 -1.77 -0.20 0.00 0.00 0.00 0.00 51.96 50.57 2dkx s ALA 56 Cb -0.13 1.37 0.14 0.00 0.00 0.00 0.00 23.12 24.50 2dkx s ALA 56 CO 0.54 -0.67 1.59 0.78 0.00 0.00 0.00 175.76 178.01 2dkx h GLY 57 N 2.32 -0.04 0.87 0.00 0.00 -1.44 -0.70 103.07 104.08 2dkx h GLY 57 Ca -0.30 0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 2dkx h GLY 57 CO 0.43 -0.21 -0.34 0.07 0.00 0.00 0.00 176.54 176.49 2dkx h LYS 58 N -0.15 -0.81 -0.13 4.80 2.10 -1.67 -2.84 116.57 117.88 2dkx h LYS 58 Ca 0.24 0.06 0.01 0.00 -2.00 0.00 0.00 60.65 58.96 2dkx h LYS 58 Cb 0.54 0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 32.04 2dkx h LYS 58 CO -0.67 -0.54 -0.15 0.93 -2.00 0.00 0.00 179.45 177.02 2dkx h GLU 59 N -0.84 -0.09 -0.81 0.07 5.08 -1.75 0.71 114.58 116.95 2dkx h GLU 59 Ca -0.07 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2dkx h GLU 59 Cb 0.68 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.86 2dkx h GLU 59 CO 0.07 -0.06 -0.48 1.28 -1.00 0.00 0.00 179.01 178.83 2dkx n LEU 60 N -3.43 -0.86 0.24 1.33 4.32 -0.33 0.23 117.00 118.51 2dkx n LEU 60 Ca -0.01 1.46 0.07 0.00 -0.02 0.00 0.00 56.01 57.51 2dkx n LEU 60 Cb 0.09 -0.19 0.58 0.00 -1.62 0.00 0.00 43.42 42.28 2dkx n LEU 60 CO -0.00 -1.18 0.97 0.00 -1.22 0.00 0.00 177.39 175.95 2dkx n ALA 62 N -2.49 2.46 -1.95 0.00 0.00 0.64 -4.86 120.51 114.32 2dkx n ALA 62 Ca -0.03 -0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.02 2dkx n ALA 62 Cb 0.19 -1.42 0.18 0.00 0.00 0.00 0.00 19.45 18.40 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 -3.05 0.73 0.08 0.00 1.00 0.35 -5.01 119.30 113.40 2dkx s MET 63 Ca 0.12 -0.65 0.06 0.00 0.00 0.00 0.00 55.69 55.22 2dkx s MET 63 Cb 0.16 -1.95 -0.03 0.00 0.00 0.00 0.00 34.83 33.01 2dkx s MET 63 CO 0.58 -2.29 -0.16 -1.12 0.00 0.00 0.00 175.02 172.03 2dkx s SER 64 N -4.90 1.96 0.12 3.03 0.01 -1.26 -5.01 113.70 107.66 2dkx s SER 64 Ca 0.74 -0.63 -0.20 0.00 1.31 0.00 0.00 55.95 57.17 2dkx s SER 64 Cb -0.03 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2dkx s SER 64 CO 0.51 -0.02 1.09 1.21 0.41 0.00 0.00 173.24 176.44 2dkx n GLU 65 N 1.25 -0.28 -0.29 12.44 2.13 -1.26 0.21 120.64 134.84 2dkx n GLU 65 Ca -0.20 1.07 0.10 0.00 0.66 0.00 0.00 57.16 58.79 2dkx n GLU 65 Cb 0.54 -1.58 0.26 0.00 0.27 0.00 0.00 31.44 30.93 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 -0.56 5.31 4.39 -1.96 0.33 114.58 122.54 2dkx h GLU 66 Ca 0.14 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.83 2dkx h GLU 66 Cb 0.32 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 2dkx h GLU 66 CO -0.67 0.30 0.36 1.96 -1.16 0.00 0.00 179.01 179.80 2dkx h GLN 67 N 0.47 0.69 0.00 2.33 1.08 0.20 0.16 115.11 120.05 2dkx h GLN 67 Ca 0.50 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.64 2dkx h GLN 67 Cb 0.86 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 2dkx h GLN 67 CO -0.46 0.46 -0.12 0.74 -0.95 0.00 0.00 178.83 178.51 2dkx h PHE 68 N 0.71 0.00 0.00 2.96 -1.00 0.08 -1.53 116.94 118.17 2dkx h PHE 68 Ca 0.22 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.98 2dkx h PHE 68 Cb -0.02 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.53 2dkx h PHE 68 CO -0.05 0.12 -0.68 0.00 -1.61 0.00 0.00 178.31 176.09 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.39 -2.44 114.38 116.15 2dkx h ARG 69 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2dkx h ARG 69 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2dkx h ARG 69 CO 0.01 0.06 -0.23 1.96 -1.07 0.00 0.00 179.97 180.70 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 1.08 0.06 -3.19 115.11 113.10 2dkx h GLN 70 Ca -0.01 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.90 2dkx h GLN 70 Cb 1.08 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.45 2dkx h GLN 70 CO 0.01 0.23 -2.09 2.89 -0.95 0.00 0.00 178.83 178.92 2dkx n ARG 71 N -3.48 1.40 -3.65 1.46 1.85 -1.19 -4.87 116.66 108.18 2dkx n ARG 71 Ca -0.00 -0.01 -0.29 0.00 -1.00 0.00 0.00 57.85 56.55 2dkx n ARG 71 Cb 0.40 -1.41 -0.15 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 -4.96 3.80 0.04 2.89 0.15 -0.92 -5.01 113.70 109.70 2dkx s SER 72 Ca -0.08 -1.59 -0.20 0.00 0.70 0.00 0.00 55.95 54.78 2dkx s SER 72 Cb 0.05 -0.68 -0.14 0.00 -1.71 0.00 0.00 66.02 63.54 2dkx s SER 72 CO 0.65 -0.41 1.35 1.55 1.20 0.00 0.00 173.24 177.58 2dkx h PRO 73 N 8.09 0.39 0.00 5.44 0.13 -1.82 0.18 132.00 144.41 2dkx h PRO 73 Ca -0.14 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 2dkx h PRO 73 Cb 1.01 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 2dkx h PRO 73 CO 0.45 0.76 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.87 2dkx h LEU 74 N 0.03 0.00 0.00 1.56 3.38 -1.95 -3.41 115.31 114.92 2dkx h LEU 74 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2dkx h LEU 74 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2dkx h LEU 74 CO 0.04 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.22 2dkx n GLY 75 N -0.89 0.54 5.59 0.83 0.00 -1.15 -4.92 105.19 105.19 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 4.43 0.33 0.42 -0.02 0.00 0.64 -2.19 105.19 108.80 2dkx n GLY 76 Ca 0.00 0.30 0.31 0.00 0.00 0.00 0.00 46.02 46.63 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 0.34 0.33 1.61 1.82 -1.81 0.11 116.42 118.82 2dkx h ASP 77 Ca 0.00 0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.78 2dkx h ASP 77 Cb 0.00 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.10 2dkx h ASP 77 CO 0.00 -0.13 -0.29 0.58 -1.61 0.00 0.00 179.24 177.80 2dkx h VAL 78 N 0.20 0.40 0.64 2.25 2.07 -1.81 0.14 116.25 120.13 2dkx h VAL 78 Ca 0.75 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.25 2dkx h VAL 78 Cb 2.15 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2dkx h VAL 78 CO -0.44 0.00 -0.38 -0.07 0.02 0.00 0.00 177.57 176.70 2dkx h LEU 79 N -0.63 -0.95 -2.12 2.57 3.38 -1.07 0.30 115.31 116.79 2dkx h LEU 79 Ca -0.02 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2dkx h LEU 79 Cb 0.56 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2dkx h LEU 79 CO -0.03 -0.60 0.32 -0.74 0.09 0.00 0.00 178.44 177.47 2dkx h HIS 80 N -0.96 0.00 0.00 1.13 2.76 -1.35 0.10 115.15 116.84 2dkx h HIS 80 Ca -0.08 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2dkx h HIS 80 Cb 0.77 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.73 2dkx h HIS 80 CO -0.09 0.00 -0.04 0.00 -1.30 0.00 0.00 177.93 176.50 2dkx h ALA 81 N 1.60 0.00 0.00 5.26 0.00 0.16 -3.02 119.26 123.25 2dkx h ALA 81 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2dkx h ALA 81 Cb 0.74 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2dkx h ALA 81 CO -0.00 0.04 0.19 1.58 0.00 0.00 0.00 179.25 181.06 2dkx n HIS 82 N -2.76 0.53 0.04 0.00 -0.00 0.96 -0.74 115.22 113.26 2dkx n HIS 82 Ca -0.01 0.28 -0.22 0.00 -0.00 0.00 0.00 57.72 57.77 2dkx n HIS 82 Cb 0.02 -0.82 -0.14 0.00 -0.00 0.00 0.00 29.99 29.05 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 0.49 -0.94 0.27 5.85 -0.91 -3.35 115.31 116.71 2dkx h LEU 83 Ca 0.00 -0.90 0.28 0.00 0.84 0.00 0.00 57.88 58.10 2dkx h LEU 83 Cb 0.38 -0.16 -0.16 0.00 0.37 0.00 0.00 40.66 41.08 2dkx h LEU 83 CO 0.00 1.63 0.21 -0.78 -0.34 0.00 0.00 178.44 179.16 2dkx h ASP 84 N -0.18 -0.13 -0.98 1.25 1.82 -0.80 0.89 116.42 118.29 2dkx h ASP 84 Ca -0.28 0.24 0.11 0.00 -0.39 0.00 0.00 57.03 56.71 2dkx h ASP 84 Cb 1.86 0.35 -0.08 0.00 0.68 0.00 0.00 39.33 42.14 2dkx h ASP 84 CO 0.12 -0.28 0.62 0.40 -1.61 0.00 0.00 179.24 178.49 2dkx h ILE 85 N 0.10 0.94 0.07 2.25 5.03 -1.70 0.21 117.51 124.41 2dkx h ILE 85 Ca 0.62 -0.33 -0.00 0.00 -0.12 0.00 0.00 64.86 65.02 2dkx h ILE 85 Cb 1.35 -0.12 0.00 0.00 -3.03 0.00 0.00 36.82 35.03 2dkx h ILE 85 CO -0.78 0.18 -0.03 -0.50 -0.68 0.00 0.00 178.15 176.33 2dkx h TRP 86 N 0.97 -0.09 -0.95 1.37 4.06 0.60 -2.65 115.95 119.27 2dkx h TRP 86 Ca 0.47 -0.00 0.28 0.00 2.06 0.00 0.00 58.89 61.70 2dkx h TRP 86 Cb 0.46 0.03 -0.14 0.00 -1.00 0.00 0.00 29.16 28.51 2dkx h TRP 86 CO -0.00 -0.05 0.41 1.57 -3.56 0.00 0.00 178.44 176.81 2dkx h LYS 87 N -0.22 0.28 -0.54 0.49 2.10 -1.28 0.46 116.57 117.85 2dkx h LYS 87 Ca -0.01 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2dkx h LYS 87 Cb 0.07 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 31.31 2dkx h LYS 87 CO 0.02 0.18 0.34 1.03 -2.00 0.00 0.00 179.45 179.01 2dkx h SER 88 N 0.28 0.65 0.96 7.07 0.87 -0.68 0.12 113.55 122.83 2dkx h SER 88 Ca 0.65 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 61.07 2dkx h SER 88 Cb 1.39 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 2dkx h SER 88 CO -0.62 0.50 -0.42 0.00 -0.53 0.00 0.00 176.83 175.76 2dkx h ALA 89 N 1.17 0.92 0.00 6.23 0.00 0.07 -2.93 119.26 124.72 2dkx h ALA 89 Ca 0.20 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2dkx h ALA 89 Cb -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2dkx h ALA 89 CO -0.04 0.52 -0.21 0.00 0.00 0.00 0.00 179.25 179.52 2dkx h ALA 90 N 1.58 0.88 -0.45 0.00 0.00 0.27 -3.31 119.26 118.23 2dkx h ALA 90 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 2dkx h ALA 90 Cb 1.01 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 2dkx h ALA 90 CO 0.05 0.00 0.38 0.45 0.00 0.00 0.00 179.25 180.14 2dkx n SER 91 N -2.58 5.88 -0.16 0.00 2.88 0.37 -5.00 113.62 115.02 2dkx n SER 91 Ca 0.04 -2.98 0.00 0.00 -1.33 0.00 0.00 58.87 54.60 2dkx n SER 91 Cb 0.48 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 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 0.29 -1.02 3.77 0.46 0.00 -1.25 -4.82 105.19 102.61 2dkx n GLY 92 Ca 0.28 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 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 4.41 -0.32 1.61 0.04 -1.26 -4.65 135.00 134.82 2dkx s PRO 93 Ca 0.00 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.11 2dkx s PRO 93 Cb 0.00 -3.06 0.09 0.00 0.04 0.00 0.00 34.50 31.57 2dkx s PRO 93 CO 0.00 -0.07 0.04 -1.12 0.04 0.00 0.00 177.00 175.89 2dkx s SER 94 N -0.69 4.60 -0.61 6.66 0.01 -1.26 -5.07 113.70 117.33 2dkx s SER 94 Ca 0.48 -1.98 -0.28 0.00 1.31 0.00 0.00 55.95 55.49 2dkx s SER 94 Cb -0.36 -1.50 0.02 0.00 0.21 0.00 0.00 66.02 64.40 2dkx s SER 94 CO 0.47 -0.36 1.30 -0.55 0.41 0.00 0.00 173.24 174.51 2dkx s SER 95 N 1.04 6.25 0.00 2.44 0.15 -1.26 -5.18 113.70 117.14 2dkx s SER 95 Ca 0.08 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.77 2dkx s SER 95 Cb -0.19 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2dkx s SER 95 CO -0.10 -1.66 0.00 0.61 1.20 0.00 0.00 173.24 173.29