#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 -0.13 0.78 1.61 0.15 -1.26 -5.16 113.70 109.69 2dkx s SER 2 Ca 0.00 -0.10 -0.13 0.00 0.70 0.00 0.00 55.95 56.43 2dkx s SER 2 Cb 0.00 0.21 0.07 0.00 -1.71 0.00 0.00 66.02 64.58 2dkx s SER 2 CO 0.00 -0.36 1.15 -0.94 1.20 0.00 0.00 173.24 174.29 2dkx s SER 3 N -2.62 4.08 0.43 5.45 1.04 -1.26 -5.05 113.70 115.77 2dkx s SER 3 Ca 0.11 2.13 0.07 0.00 0.48 0.00 0.00 55.95 58.74 2dkx s SER 3 Cb 0.01 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 2dkx s SER 3 CO -0.04 -2.33 0.17 -0.83 0.98 0.00 0.00 173.24 171.19 2dkx s GLY 4 N -2.60 2.39 0.27 7.32 0.00 -1.26 -4.89 107.32 108.55 2dkx s GLY 4 Ca 0.68 -1.98 -0.11 0.00 0.00 0.00 0.00 44.72 43.30 2dkx s GLY 4 CO 0.50 -1.94 0.50 -1.35 0.00 0.00 0.00 173.10 170.81 2dkx s SER 5 N -3.91 0.07 1.30 1.64 1.04 -1.26 -5.04 113.70 107.53 2dkx s SER 5 Ca 0.38 -1.03 -0.19 0.00 0.48 0.00 0.00 55.95 55.60 2dkx s SER 5 Cb 0.04 0.62 0.32 0.00 0.10 0.00 0.00 66.02 67.10 2dkx s SER 5 CO 0.21 -1.20 0.99 -0.44 0.98 0.00 0.00 173.24 173.78 2dkx s SER 6 N -3.05 -0.03 0.00 7.02 0.01 -1.26 -4.11 113.70 112.27 2dkx s SER 6 Ca 0.23 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.52 2dkx s SER 6 Cb -0.01 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.70 2dkx s SER 6 CO 0.11 -4.75 0.00 0.61 0.41 0.00 0.00 173.24 169.61 2dkx n GLY 7 N 0.75 2.06 0.12 3.44 0.00 -1.26 -4.56 105.19 105.74 2dkx n GLY 7 Ca 0.09 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 0.51 -0.41 0.99 -0.00 -1.26 -2.96 117.00 113.87 2dkx n LEU 8 Ca 0.00 0.67 0.40 0.00 -0.00 0.00 0.00 56.01 57.08 2dkx n LEU 8 Cb 0.00 -0.66 0.72 0.00 -0.00 0.00 0.00 43.42 43.48 2dkx n LEU 8 CO 0.00 -0.67 1.37 0.11 -0.00 0.00 0.00 177.39 178.19 2dkx h LYS 9 N 0.00 0.00 0.00 1.47 1.79 -1.80 1.70 116.57 119.73 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 0.19 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.80 2dkx h LYS 9 CO 0.00 0.00 -1.54 -0.25 -1.08 0.00 0.00 179.45 176.58 2dkx n ASP 10 N -3.86 0.82 0.17 0.86 8.00 -1.16 -4.08 116.55 117.31 2dkx n ASP 10 Ca 0.31 0.37 -0.14 0.00 0.71 0.00 0.00 54.79 56.03 2dkx n ASP 10 Cb 1.54 0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 42.72 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 0.71 -0.99 0.53 2.04 0.23 -2.65 117.51 117.39 2dkx h ILE 11 Ca -0.21 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.77 2dkx h ILE 11 Cb 1.73 0.71 -0.09 0.00 -0.74 0.00 0.00 36.82 38.43 2dkx h ILE 11 CO 0.05 0.00 0.62 1.05 0.00 0.00 0.00 178.15 179.87 2dkx h GLU 12 N -0.38 0.93 -0.40 2.37 4.11 -1.63 0.90 114.58 120.49 2dkx h GLU 12 Ca -0.03 -0.06 0.12 0.00 0.07 0.00 0.00 59.36 59.46 2dkx h GLU 12 Cb 0.30 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2dkx h GLU 12 CO 0.05 0.61 0.31 1.15 0.07 0.00 0.00 179.01 181.21 2dkx h THR 13 N 0.95 0.68 0.00 -1.06 2.02 -1.62 0.34 112.91 114.22 2dkx h THR 13 Ca 0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.68 2dkx h THR 13 Cb 0.52 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2dkx h THR 13 CO -0.28 0.00 -0.74 0.00 0.37 0.00 0.00 175.52 174.87 2dkx n ALA 14 N -2.54 3.51 0.94 6.16 0.00 0.25 -3.83 120.51 125.00 2dkx n ALA 14 Ca 0.07 -0.37 0.11 0.00 0.00 0.00 0.00 53.44 53.24 2dkx n ALA 14 Cb 0.50 -1.05 0.07 0.00 0.00 0.00 0.00 19.45 18.97 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 0.03 0.00 0.00 1.57 -1.24 0.18 116.57 117.11 2dkx h LYS 16 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2dkx h LYS 16 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2dkx h LYS 16 CO 0.00 0.68 0.00 1.47 -0.57 0.00 0.00 179.45 181.03 2dkx n LEU 17 N -4.75 0.00 -0.00 2.94 -0.00 -1.26 -2.83 117.00 111.10 2dkx n LEU 17 Ca -0.09 0.25 0.05 0.00 -0.00 0.00 0.00 56.01 56.22 2dkx n LEU 17 Cb 0.34 -0.25 -0.08 0.00 -0.00 0.00 0.00 43.42 43.44 2dkx n LEU 17 CO 0.34 -0.03 -0.34 0.18 -0.00 0.00 0.00 177.39 177.55 2dkx n LEU 18 N -1.25 0.26 -3.69 1.47 4.77 -1.19 -5.01 117.00 112.35 2dkx n LEU 18 Ca 0.14 -0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.63 2dkx n LEU 18 Cb 0.20 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.34 2dkx n LEU 18 CO 0.20 0.06 0.08 -3.20 -1.33 0.00 0.00 177.39 173.20 2dkx n ASN 19 N -1.58 -3.48 -4.52 -1.43 5.15 0.59 -4.99 115.26 104.99 2dkx n ASN 19 Ca -0.00 -0.71 -0.31 0.00 -0.60 0.00 0.00 54.58 52.96 2dkx n ASN 19 Cb 0.24 -4.42 -0.08 0.00 -0.53 0.00 0.00 39.78 34.99 2dkx n ASN 19 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2dkx s ILE 20 N -3.43 0.92 -0.10 -1.44 -4.36 -0.91 -5.06 121.20 106.82 2dkx s ILE 20 Ca 0.32 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.55 2dkx s ILE 20 Cb -0.15 -2.19 -0.05 0.00 1.25 0.00 0.00 42.46 41.32 2dkx s ILE 20 CO 0.78 0.00 0.41 0.28 0.24 0.00 0.00 174.94 176.65 2dkx s THR 21 N -2.99 5.18 0.58 8.37 -1.32 -1.26 -4.80 115.64 119.39 2dkx s THR 21 Ca 0.11 0.81 0.32 0.00 -1.21 0.00 0.00 61.69 61.72 2dkx s THR 21 Cb 0.01 -3.74 0.46 0.00 -1.51 0.00 0.00 72.50 67.73 2dkx s THR 21 CO 0.07 0.42 1.70 0.00 -2.21 0.00 0.00 174.62 174.59 2dkx h ALA 22 N 6.12 2.78 -2.21 11.08 0.00 -1.94 -3.38 119.26 131.71 2dkx h ALA 22 Ca -0.44 -0.03 -0.59 0.00 0.00 0.00 0.00 54.91 53.85 2dkx h ALA 22 Cb 1.19 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 2dkx h ALA 22 CO 0.71 -1.32 0.60 0.34 0.00 0.00 0.00 179.25 179.59 2dkx s ASP 23 N -4.66 6.98 0.25 0.00 -1.08 -1.26 -4.82 116.67 112.08 2dkx s ASP 23 Ca -0.04 1.22 0.03 0.00 -0.52 0.00 0.00 52.55 53.24 2dkx s ASP 23 Cb 0.18 -2.49 0.32 0.00 -1.46 0.00 0.00 42.92 39.47 2dkx s ASP 23 CO 0.63 -0.56 1.63 1.55 0.52 0.00 0.00 175.17 178.94 2dkx h PRO 24 N 7.52 0.36 0.00 4.34 0.13 -1.88 -2.66 132.00 139.81 2dkx h PRO 24 Ca -0.22 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2dkx h PRO 24 Cb 1.09 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2dkx h PRO 24 CO 0.91 0.75 0.00 -1.33 -0.23 0.00 0.00 178.00 178.10 2dkx n MET 25 N -4.00 0.21 0.00 0.86 2.81 -1.24 -1.58 117.12 114.18 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 0.01 0.00 -0.71 0.00 0.00 33.22 31.54 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 1.66 -4.54 7.83 9.92 -1.01 -3.01 116.55 126.13 2dkx n ASP 26 Ca 0.07 -1.33 -0.42 0.00 -0.53 0.00 0.00 54.79 52.58 2dkx n ASP 26 Cb 0.11 0.37 -0.05 0.00 -0.64 0.00 0.00 41.12 40.91 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 0.06 1.57 -3.51 1.24 8.01 -0.62 -4.87 117.44 119.33 2dkx n TRP 27 Ca 0.06 0.10 -0.09 0.00 -1.31 0.00 0.00 57.50 56.27 2dkx n TRP 27 Cb 0.31 -2.62 -0.02 0.00 -2.01 0.00 0.00 31.31 26.97 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 9.56 -0.38 0.17 -0.99 0.01 -1.26 -0.92 113.70 119.89 2dkx s SER 28 Ca 1.05 -0.02 -0.07 0.00 1.31 0.00 0.00 55.95 58.22 2dkx s SER 28 Cb -0.48 0.41 0.06 0.00 0.21 0.00 0.00 66.02 66.22 2dkx s SER 28 CO 0.36 -0.67 1.52 1.55 0.41 0.00 0.00 173.24 176.41 2dkx h PRO 29 N 2.00 0.78 -0.36 12.44 0.13 -2.03 -3.37 132.00 141.59 2dkx h PRO 29 Ca -0.23 -0.42 -0.28 0.00 -0.87 0.00 0.00 66.00 64.20 2dkx h PRO 29 Cb 1.25 0.02 -0.31 0.00 0.13 0.00 0.00 31.00 32.09 2dkx h PRO 29 CO 0.31 1.05 -0.84 0.43 -0.23 0.00 0.00 178.00 178.72 2dkx n SER 30 N -4.04 2.70 -0.10 1.44 7.64 -1.26 -4.82 113.62 115.17 2dkx n SER 30 Ca -0.02 -3.11 0.01 0.00 1.01 0.00 0.00 58.87 56.76 2dkx n SER 30 Cb 0.54 -0.41 0.31 0.00 -1.01 0.00 0.00 64.21 63.64 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 1.78 0.66 -0.92 6.43 4.21 -1.77 -2.85 115.58 123.13 2dkx h ASN 31 Ca 0.06 -0.04 0.20 0.00 1.21 0.00 0.00 56.30 57.73 2dkx h ASN 31 Cb 1.40 -0.17 -0.17 0.00 -1.12 0.00 0.00 38.32 38.26 2dkx h ASN 31 CO 0.32 0.53 -0.16 0.58 -1.29 0.00 0.00 177.43 177.42 2dkx h VAL 32 N 0.76 0.08 -1.01 2.81 2.07 -1.88 1.01 116.25 120.10 2dkx h VAL 32 Ca 0.20 -0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.96 2dkx h VAL 32 Cb 0.01 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 29.77 2dkx h VAL 32 CO -0.03 0.00 0.65 1.56 0.02 0.00 0.00 177.57 179.77 2dkx h GLN 33 N 0.01 0.42 -0.08 1.57 1.08 -1.85 0.25 115.11 116.51 2dkx h GLN 33 Ca 0.47 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.64 2dkx h GLN 33 Cb 0.79 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2dkx h GLN 33 CO -0.92 0.28 0.01 0.87 -0.95 0.00 0.00 178.83 178.11 2dkx h LYS 34 N 0.43 0.14 0.00 1.46 1.57 0.92 -1.76 116.57 119.33 2dkx h LYS 34 Ca 0.57 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 2dkx h LYS 34 Cb 1.38 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.67 2dkx h LYS 34 CO -0.28 0.36 0.00 2.35 -0.57 0.00 0.00 179.45 181.32 2dkx h TRP 35 N -0.11 0.00 0.00 -1.35 7.01 -0.77 -2.77 115.95 117.95 2dkx h TRP 35 Ca 0.02 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.02 2dkx h TRP 35 Cb 0.29 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.35 2dkx h TRP 35 CO 0.02 0.00 0.00 1.28 -2.79 0.00 0.00 178.44 176.95 2dkx n LEU 36 N -2.33 0.15 0.11 0.65 4.77 -0.20 -3.72 117.00 116.43 2dkx n LEU 36 Ca 0.01 0.40 0.18 0.00 -0.03 0.00 0.00 56.01 56.58 2dkx n LEU 36 Cb 0.19 -0.47 0.58 0.00 -2.33 0.00 0.00 43.42 41.39 2dkx n LEU 36 CO 0.18 -0.47 1.16 0.17 -1.33 0.00 0.00 177.39 177.10 2dkx h LEU 37 N 0.00 0.00 0.00 2.23 8.10 -1.40 0.34 115.31 124.57 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 -3.21 0.00 0.03 0.17 -0.00 -1.05 -2.92 117.44 110.46 2dkx n TRP 38 Ca 0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.53 2dkx n TRP 38 Cb 0.84 -0.34 0.16 0.00 -0.00 0.00 0.00 31.31 31.97 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 1.30 -0.10 5.87 2.02 -1.52 -2.75 112.91 117.73 2dkx h THR 39 Ca 0.00 -1.50 0.03 0.00 0.77 0.00 0.00 66.41 65.71 2dkx h THR 39 Cb 0.00 1.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2dkx h THR 39 CO 0.00 0.47 0.39 -0.08 0.37 0.00 0.00 175.52 176.66 2dkx h GLU 40 N 0.37 0.00 0.00 6.66 4.81 -0.46 0.85 114.58 126.82 2dkx h GLU 40 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2dkx h GLU 40 Cb 0.83 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2dkx h GLU 40 CO 0.07 0.00 -1.40 1.58 -0.73 0.00 0.00 179.01 178.52 2dkx n HIS 41 N -3.07 0.15 0.03 0.92 -0.00 -1.04 -0.49 115.22 111.72 2dkx n HIS 41 Ca 0.00 0.04 0.01 0.00 0.46 0.00 0.00 57.72 58.24 2dkx n HIS 41 Cb 0.46 -0.40 -0.08 0.00 -0.12 0.00 0.00 29.99 29.85 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 -2.03 0.62 0.00 1.57 6.02 0.27 -4.06 117.38 119.78 2dkx n GLN 42 Ca -0.00 0.20 0.07 0.00 -0.01 0.00 0.00 57.00 57.26 2dkx n GLN 42 Cb 0.47 -1.80 0.05 0.00 1.02 0.00 0.00 30.24 29.99 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 -2.86 0.00 -3.32 1.08 4.02 0.22 -4.99 117.16 111.31 2dkx n TYR 43 Ca -0.09 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.62 2dkx n TYR 43 Cb 0.82 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 40.21 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 0.67 -6.17 -3.06 -0.72 3.00 -1.13 -5.01 116.66 104.23 2dkx n ARG 44 Ca 0.08 0.69 -0.28 0.00 -0.01 0.00 0.00 57.85 58.32 2dkx n ARG 44 Cb 0.33 -5.28 -0.02 0.00 0.00 0.00 0.00 32.46 27.49 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 -5.97 3.90 1.03 0.55 1.43 0.36 -5.02 118.68 114.95 2dkx s LEU 45 Ca 0.31 0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 54.12 2dkx s LEU 45 Cb -0.14 -3.71 0.20 0.00 0.03 0.00 0.00 46.19 42.58 2dkx s LEU 45 CO 0.60 -0.34 1.09 -2.16 0.23 0.00 0.00 176.35 175.77 2dkx s PRO 46 N -3.98 0.19 -0.61 1.29 0.04 -1.26 -4.75 135.00 125.91 2dkx s PRO 46 Ca 0.46 0.44 -0.26 0.00 0.04 0.00 0.00 61.00 61.67 2dkx s PRO 46 Cb -0.10 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 2dkx s PRO 46 CO 0.34 -2.88 1.86 -1.25 0.04 0.00 0.00 177.00 175.12 2dkx s PRO 47 N -5.00 2.62 0.01 0.56 0.04 -1.26 -4.79 135.00 127.19 2dkx s PRO 47 Ca 0.66 0.60 0.17 0.00 0.04 0.00 0.00 61.00 62.47 2dkx s PRO 47 Cb -0.18 -4.39 -0.17 0.00 0.04 0.00 0.00 34.50 29.80 2dkx s PRO 47 CO 0.58 -2.74 0.69 -1.33 0.04 0.00 0.00 177.00 174.24 2dkx n MET 48 N 9.19 0.63 -0.34 4.56 2.81 -1.26 -4.31 117.12 128.41 2dkx n MET 48 Ca 0.20 0.17 0.14 0.00 -1.81 0.00 0.00 57.70 56.40 2dkx n MET 48 Cb 0.52 -1.75 0.28 0.00 -0.71 0.00 0.00 33.22 31.56 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 3.75 1.20 1.75 3.03 0.00 -1.93 1.71 103.07 112.58 2dkx h GLY 49 Ca -0.21 0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 2dkx h GLY 49 CO 0.04 -0.50 0.01 1.70 0.00 0.00 0.00 176.54 177.79 2dkx h LYS 50 N 0.01 0.32 0.00 4.80 1.63 -2.00 0.80 116.57 122.14 2dkx h LYS 50 Ca 0.59 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.34 2dkx h LYS 50 Cb 1.19 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 2dkx h LYS 50 CO -0.92 0.34 -0.66 0.00 -3.45 0.00 0.00 179.45 174.76 2dkx h ALA 51 N 1.70 0.65 -0.37 5.00 0.00 0.19 -3.30 119.26 123.14 2dkx h ALA 51 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2dkx h ALA 51 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2dkx h ALA 51 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 2dkx n PHE 52 N -2.67 0.49 -0.31 0.00 3.01 0.25 -4.60 117.46 113.63 2dkx n PHE 52 Ca 0.02 -0.44 0.05 0.00 1.01 0.00 0.00 57.45 58.09 2dkx n PHE 52 Cb 0.52 -0.02 0.20 0.00 -0.01 0.00 0.00 39.48 40.17 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 2.44 0.77 0.00 -1.08 4.20 0.52 0.53 115.11 122.49 2dkx h GLN 53 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2dkx h GLN 53 Cb 0.75 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2dkx h GLN 53 CO 0.00 0.51 -0.04 1.05 -0.67 0.00 0.00 178.83 179.68 2dkx h GLU 54 N 0.79 0.00 -7.08 1.46 4.11 -1.85 -3.46 114.58 108.56 2dkx h GLU 54 Ca 0.44 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 59.41 2dkx h GLU 54 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2dkx h GLU 54 CO -0.28 0.00 0.36 -0.51 0.07 0.00 0.00 179.01 178.65 2dkx s LEU 55 N -5.95 3.87 0.00 3.06 1.43 0.18 -5.07 118.68 116.19 2dkx s LEU 55 Ca 0.07 1.76 0.02 0.00 -1.03 0.00 0.00 54.13 54.95 2dkx s LEU 55 Cb 0.06 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.73 2dkx s LEU 55 CO 0.67 -0.54 0.08 0.00 0.23 0.00 0.00 176.35 176.79 2dkx n ALA 56 N -0.87 0.36 0.02 4.21 0.00 -1.26 -4.89 120.51 118.08 2dkx n ALA 56 Ca 0.08 -1.33 -0.10 0.00 0.00 0.00 0.00 53.44 52.09 2dkx n ALA 56 Cb 0.53 0.88 -0.04 0.00 0.00 0.00 0.00 19.45 20.83 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 1.01 -0.14 0.87 0.00 0.00 -1.15 -1.35 103.07 102.32 2dkx h GLY 57 Ca -0.21 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2dkx h GLY 57 CO 0.33 -0.15 -0.24 0.07 0.00 0.00 0.00 176.54 176.55 2dkx h LYS 58 N -0.22 -0.56 -0.08 4.80 2.10 -1.65 -2.74 116.57 118.21 2dkx h LYS 58 Ca 0.07 0.04 0.01 0.00 -2.00 0.00 0.00 60.65 58.78 2dkx h LYS 58 Cb 0.32 0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 31.75 2dkx h LYS 58 CO -0.20 -0.38 -0.21 0.93 -2.00 0.00 0.00 179.45 177.59 2dkx h GLU 59 N -0.58 -0.20 -0.89 0.07 4.39 -1.88 0.68 114.58 116.17 2dkx h GLU 59 Ca -0.04 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.78 2dkx h GLU 59 Cb 0.49 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 29.06 2dkx h GLU 59 CO 0.03 -0.13 -0.44 1.28 -1.16 0.00 0.00 179.01 178.58 2dkx n LEU 60 N -3.70 -0.78 0.23 1.33 4.32 -0.52 0.23 117.00 118.11 2dkx n LEU 60 Ca -0.02 1.57 0.07 0.00 -0.02 0.00 0.00 56.01 57.61 2dkx n LEU 60 Cb 0.14 -0.27 0.55 0.00 -1.62 0.00 0.00 43.42 42.22 2dkx n LEU 60 CO 0.02 -1.34 0.88 0.00 -1.22 0.00 0.00 177.39 175.74 2dkx n ALA 62 N -2.40 2.79 -2.18 0.00 0.00 0.63 -4.87 120.51 114.49 2dkx n ALA 62 Ca -0.02 -0.20 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 2dkx n ALA 62 Cb 0.29 -1.34 0.18 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.49 -0.91 -4.27 0.00 2.00 0.35 -5.01 117.12 107.79 2dkx n MET 63 Ca 0.07 -2.34 -0.21 0.00 0.00 0.00 0.00 57.70 55.22 2dkx n MET 63 Cb 0.34 -1.15 -0.12 0.00 0.00 0.00 0.00 33.22 32.28 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 -5.69 1.98 0.13 7.83 0.01 -1.26 -5.01 113.70 111.68 2dkx s SER 64 Ca 0.74 -0.60 -0.18 0.00 1.31 0.00 0.00 55.95 57.21 2dkx s SER 64 Cb -0.03 -0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.13 2dkx s SER 64 CO 0.51 -0.00 1.07 1.21 0.41 0.00 0.00 173.24 176.44 2dkx n GLU 65 N 1.36 -0.26 -0.30 12.44 2.13 -1.26 0.22 120.64 134.98 2dkx n GLU 65 Ca -0.20 1.06 0.09 0.00 0.66 0.00 0.00 57.16 58.77 2dkx n GLU 65 Cb 0.54 -1.56 0.25 0.00 0.27 0.00 0.00 31.44 30.95 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 0.52 -0.61 5.31 4.22 -1.97 0.05 114.58 122.10 2dkx h GLU 66 Ca 0.15 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.57 2dkx h GLU 66 Cb 0.33 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2dkx h GLU 66 CO -0.67 0.35 0.39 1.96 -2.18 0.00 0.00 179.01 178.86 2dkx h GLN 67 N 0.54 0.82 0.00 1.92 1.08 0.23 -0.76 115.11 118.93 2dkx h GLN 67 Ca 0.50 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.62 2dkx h GLN 67 Cb 0.80 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.05 2dkx h GLN 67 CO -0.42 0.56 -0.08 0.74 -0.95 0.00 0.00 178.83 178.68 2dkx h PHE 68 N 0.83 0.00 0.00 2.96 -1.00 0.18 -1.49 116.94 118.42 2dkx h PHE 68 Ca 0.22 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.92 2dkx h PHE 68 Cb -0.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 2dkx h PHE 68 CO -0.03 0.08 -0.91 0.00 -1.61 0.00 0.00 178.31 175.84 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.51 -2.31 114.38 116.15 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 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2dkx h ARG 69 CO 0.01 0.22 -0.25 1.96 -1.07 0.00 0.00 179.97 180.83 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 4.20 -0.08 -3.03 115.11 116.24 2dkx h GLN 70 Ca -0.06 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 2dkx h GLN 70 Cb 1.30 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.06 2dkx h GLN 70 CO 0.03 0.25 -1.91 2.89 -0.67 0.00 0.00 178.83 179.43 2dkx n ARG 71 N -4.07 0.91 -3.62 1.46 1.85 -1.20 -4.83 116.66 107.16 2dkx n ARG 71 Ca -0.02 -0.09 -0.29 0.00 -1.00 0.00 0.00 57.85 56.44 2dkx n ARG 71 Cb 0.32 -1.40 -0.13 0.00 -1.05 0.00 0.00 32.46 30.19 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 -4.38 3.51 -0.02 2.89 0.15 -0.87 -4.97 113.70 110.01 2dkx s SER 72 Ca -0.07 -2.08 -0.25 0.00 0.70 0.00 0.00 55.95 54.25 2dkx s SER 72 Cb 0.08 -0.70 -0.20 0.00 -1.71 0.00 0.00 66.02 63.49 2dkx s SER 72 CO 0.68 -0.34 1.23 1.55 1.20 0.00 0.00 173.24 177.56 2dkx h PRO 73 N 7.36 -0.06 0.00 5.44 0.13 -1.80 0.54 132.00 143.61 2dkx h PRO 73 Ca -0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2dkx h PRO 73 Cb 0.97 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 2dkx h PRO 73 CO 0.40 0.41 -0.02 -0.07 -0.23 0.00 0.00 178.00 178.49 2dkx h LEU 74 N -0.55 0.00 0.00 1.56 3.38 -1.94 -3.40 115.31 114.36 2dkx h LEU 74 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 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 0.01 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2dkx n GLY 75 N -1.06 0.41 6.00 0.83 0.00 -1.17 -4.92 105.19 105.28 2dkx n GLY 75 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.46 0.30 -0.02 0.00 0.19 -1.85 105.19 108.65 2dkx n GLY 76 Ca 0.00 0.26 0.25 0.00 0.00 0.00 0.00 46.02 46.53 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 1.83 0.21 0.20 1.61 5.75 -1.26 0.18 116.55 125.07 2dkx n ASP 77 Ca 0.00 1.55 -0.15 0.00 -0.01 0.00 0.00 54.79 56.18 2dkx n ASP 77 Cb 0.00 -0.70 -0.07 0.00 -1.03 0.00 0.00 41.12 39.31 2dkx n ASP 77 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2dkx h VAL 78 N 0.00 0.28 0.38 2.12 2.07 -1.74 0.45 116.25 119.81 2dkx h VAL 78 Ca 0.73 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.24 2dkx h VAL 78 Cb 1.84 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2dkx h VAL 78 CO -0.76 0.00 -0.35 -0.07 0.02 0.00 0.00 177.57 176.41 2dkx h LEU 79 N -0.70 -0.96 -1.79 2.57 3.38 -0.52 0.25 115.31 117.55 2dkx h LEU 79 Ca -0.01 0.07 0.18 0.00 0.09 0.00 0.00 57.88 58.21 2dkx h LEU 79 Cb 0.65 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2dkx h LEU 79 CO -0.09 -0.47 0.65 -0.74 0.09 0.00 0.00 178.44 177.88 2dkx h HIS 80 N -0.72 0.00 0.01 1.13 2.76 -1.38 0.81 115.15 117.76 2dkx h HIS 80 Ca -0.05 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2dkx h HIS 80 Cb 0.62 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.58 2dkx h HIS 80 CO -0.18 0.00 -0.00 0.00 -1.30 0.00 0.00 177.93 176.45 2dkx h ALA 81 N 1.29 -0.03 0.00 5.26 0.00 0.24 -2.84 119.26 123.18 2dkx h ALA 81 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2dkx h ALA 81 Cb 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2dkx h ALA 81 CO -0.00 -0.03 0.38 1.25 0.00 0.00 0.00 179.25 180.85 2dkx h HIS 82 N -0.25 0.00 0.15 0.00 6.17 -0.14 0.11 115.15 121.20 2dkx h HIS 82 Ca -0.00 0.00 -0.21 0.00 0.71 0.00 0.00 60.37 60.86 2dkx h HIS 82 Cb 0.01 0.00 0.02 0.00 2.52 0.00 0.00 27.41 29.96 2dkx h HIS 82 CO 0.00 0.00 -0.96 1.25 0.71 0.00 0.00 177.93 178.93 2dkx h LEU 83 N 0.00 0.50 -0.95 0.26 5.85 -0.95 -3.34 115.31 116.68 2dkx h LEU 83 Ca 0.00 -0.94 0.25 0.00 0.84 0.00 0.00 57.88 58.03 2dkx h LEU 83 Cb 0.76 -0.16 -0.17 0.00 0.37 0.00 0.00 40.66 41.45 2dkx h LEU 83 CO 0.00 1.46 0.02 -0.78 -0.34 0.00 0.00 178.44 178.80 2dkx h ASP 84 N -0.31 -0.45 -0.96 1.25 3.58 -0.50 1.03 116.42 120.06 2dkx h ASP 84 Ca -0.18 0.26 0.14 0.00 0.42 0.00 0.00 57.03 57.68 2dkx h ASP 84 Cb 1.72 0.46 -0.08 0.00 1.72 0.00 0.00 39.33 43.14 2dkx h ASP 84 CO 0.15 -0.32 0.61 0.40 -2.88 0.00 0.00 179.24 177.21 2dkx h ILE 85 N 0.03 0.85 0.03 2.25 5.03 -1.67 0.16 117.51 124.19 2dkx h ILE 85 Ca 0.56 -0.29 -0.00 0.00 -0.12 0.00 0.00 64.86 65.02 2dkx h ILE 85 Cb 1.13 -0.06 0.00 0.00 -3.03 0.00 0.00 36.82 34.86 2dkx h ILE 85 CO -0.87 0.15 -0.02 -0.50 -0.68 0.00 0.00 178.15 176.23 2dkx h TRP 86 N 0.83 -0.04 -0.93 1.37 4.06 0.90 -2.80 115.95 119.34 2dkx h TRP 86 Ca 0.49 -0.00 0.27 0.00 2.06 0.00 0.00 58.89 61.71 2dkx h TRP 86 Cb 0.66 0.01 -0.16 0.00 -1.00 0.00 0.00 29.16 28.67 2dkx h TRP 86 CO -0.00 -0.03 0.20 1.57 -3.56 0.00 0.00 178.44 176.62 2dkx h LYS 87 N -0.13 0.11 -0.42 0.49 2.10 -1.22 0.56 116.57 118.05 2dkx h LYS 87 Ca -0.00 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.66 2dkx h LYS 87 Cb 0.04 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.31 2dkx h LYS 87 CO 0.01 0.07 0.24 1.03 -2.00 0.00 0.00 179.45 178.80 2dkx h SER 88 N 0.11 0.37 0.65 7.07 0.87 -0.80 0.20 113.55 122.02 2dkx h SER 88 Ca 0.60 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 61.06 2dkx h SER 88 Cb 1.29 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.17 2dkx h SER 88 CO -0.76 0.26 -0.55 0.00 -0.53 0.00 0.00 176.83 175.26 2dkx h ALA 89 N 1.20 1.01 0.00 6.23 0.00 0.13 -2.84 119.26 124.99 2dkx h ALA 89 Ca 0.17 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2dkx h ALA 89 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2dkx h ALA 89 CO -0.10 0.69 0.00 0.00 0.00 0.00 0.00 179.25 179.84 2dkx h ALA 90 N 1.45 1.00 -0.52 0.00 0.00 0.55 -3.27 119.26 118.46 2dkx h ALA 90 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 2dkx h ALA 90 Cb 1.02 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.66 2dkx h ALA 90 CO 0.07 0.00 0.44 0.45 0.00 0.00 0.00 179.25 180.21 2dkx n SER 91 N -2.71 5.98 0.00 0.00 2.88 0.65 -4.98 113.62 115.43 2dkx n SER 91 Ca 0.04 -3.07 0.00 0.00 -1.33 0.00 0.00 58.87 54.51 2dkx n SER 91 Cb 0.47 -0.98 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 0.12 -0.45 0.20 0.46 0.00 -1.23 -4.53 105.19 99.76 2dkx n GLY 92 Ca 0.33 -1.74 0.14 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 -7.03 1.61 0.13 -1.88 -3.42 132.00 121.41 2dkx h PRO 93 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 2dkx h PRO 93 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.19 2dkx h PRO 93 CO 0.00 0.00 0.45 0.45 -0.23 0.00 0.00 178.00 178.67 2dkx s SER 94 N -4.87 6.09 0.21 1.44 0.15 -1.26 -5.03 113.70 110.43 2dkx s SER 94 Ca 0.03 2.20 -0.13 0.00 0.70 0.00 0.00 55.95 58.74 2dkx s SER 94 Cb 0.09 -2.59 -0.07 0.00 -1.71 0.00 0.00 66.02 61.74 2dkx s SER 94 CO 0.45 -0.97 0.59 -0.55 1.20 0.00 0.00 173.24 173.97 2dkx s SER 95 N -1.59 6.76 0.00 5.45 0.15 -1.26 -4.88 113.70 118.33 2dkx s SER 95 Ca 0.67 1.07 0.00 0.00 0.70 0.00 0.00 55.95 58.39 2dkx s SER 95 Cb -0.25 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2dkx s SER 95 CO 0.30 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.33