#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 -2.73 -4.96 1.61 7.64 -1.26 -4.81 113.62 109.11 2dkx n SER 2 Ca 0.00 -0.54 -0.22 0.00 1.01 0.00 0.00 58.87 59.12 2dkx n SER 2 Cb 0.00 -4.64 -0.00 0.00 -1.01 0.00 0.00 64.21 58.56 2dkx n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dkx s SER 3 N -4.05 6.06 0.00 6.43 0.01 -1.26 -4.87 113.70 116.01 2dkx s SER 3 Ca 0.09 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2dkx s SER 3 Cb -0.04 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.56 2dkx s SER 3 CO 0.66 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 174.48 2dkx n GLY 4 N -1.79 0.45 4.02 3.44 0.00 -1.26 -4.99 105.19 105.06 2dkx n GLY 4 Ca -0.02 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 2dkx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dkx n SER 5 N 0.00 -3.29 -4.33 1.61 2.88 -1.26 -0.80 113.62 108.43 2dkx n SER 5 Ca 0.00 -0.90 -0.37 0.00 -1.33 0.00 0.00 58.87 56.26 2dkx n SER 5 Cb 0.00 -3.36 -0.05 0.00 -0.75 0.00 0.00 64.21 60.05 2dkx n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dkx n SER 6 N -2.81 -2.13 -0.05 -3.46 3.41 -1.26 -4.81 113.62 102.51 2dkx n SER 6 Ca -0.03 -1.12 -0.11 0.00 -0.26 0.00 0.00 58.87 57.35 2dkx n SER 6 Cb 0.55 -2.25 -0.04 0.00 -0.26 0.00 0.00 64.21 62.21 2dkx n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkx n GLY 7 N -1.44 -0.21 0.10 5.00 0.00 0.02 -4.68 105.19 103.97 2dkx n GLY 7 Ca 0.02 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.44 0.00 -1.75 0.99 8.10 -1.88 -3.34 115.31 116.99 2dkx h LEU 8 Ca -0.24 -0.09 0.43 0.00 0.11 0.00 0.00 57.88 58.08 2dkx h LEU 8 Cb 1.09 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 41.22 2dkx h LEU 8 CO -0.15 0.04 0.99 0.11 -4.11 0.00 0.00 178.44 175.33 2dkx h LYS 9 N 0.00 0.07 0.00 0.17 1.79 -1.86 1.67 116.57 118.41 2dkx h LYS 9 Ca 0.00 -0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.31 2dkx h LYS 9 Cb 0.78 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.39 2dkx h LYS 9 CO 0.00 0.05 -1.09 -0.44 -1.08 0.00 0.00 179.45 176.89 2dkx h ASP 10 N 0.07 0.00 0.05 0.86 5.19 -1.90 -3.36 116.42 117.34 2dkx h ASP 10 Ca 0.75 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 57.15 2dkx h ASP 10 Cb 2.69 0.00 0.00 0.00 0.18 0.00 0.00 39.33 42.20 2dkx h ASP 10 CO -0.16 0.60 -0.03 0.40 -3.12 0.00 0.00 179.24 176.93 2dkx h ILE 11 N 0.00 0.95 -0.98 0.35 2.04 0.23 -2.59 117.51 117.52 2dkx h ILE 11 Ca -0.10 -0.02 0.20 0.00 1.00 0.00 0.00 64.86 65.94 2dkx h ILE 11 Cb 1.55 0.97 -0.11 0.00 -0.74 0.00 0.00 36.82 38.48 2dkx h ILE 11 CO 0.06 0.01 0.57 1.05 0.00 0.00 0.00 178.15 179.84 2dkx h GLU 12 N -0.08 0.65 0.00 2.37 4.11 -1.60 0.58 114.58 120.61 2dkx h GLU 12 Ca -0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 2dkx h GLU 12 Cb 0.07 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2dkx h GLU 12 CO 0.01 0.43 -0.01 1.15 0.07 0.00 0.00 179.01 180.67 2dkx h THR 13 N 0.67 0.35 0.00 -1.06 2.02 -1.62 0.70 112.91 113.97 2dkx h THR 13 Ca 0.58 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.72 2dkx h THR 13 Cb 0.97 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 2dkx h THR 13 CO -0.42 0.01 -0.75 0.00 0.37 0.00 0.00 175.52 174.73 2dkx n ALA 14 N -2.24 3.41 0.86 6.16 0.00 0.20 -3.84 120.51 125.06 2dkx n ALA 14 Ca -0.03 -0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.16 2dkx n ALA 14 Cb 0.09 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.11 -0.17 0.00 1.57 -1.45 0.11 116.57 116.52 2dkx h LYS 16 Ca 0.00 0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 2dkx h LYS 16 Cb 0.58 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2dkx h LYS 16 CO 0.00 0.29 -0.59 1.37 -0.57 0.00 0.00 179.45 179.96 2dkx h LEU 17 N -0.97 0.61 0.00 2.94 -0.00 -1.77 -3.02 115.31 113.10 2dkx h LEU 17 Ca -0.01 -0.34 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 2dkx h LEU 17 Cb 0.45 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 2dkx h LEU 17 CO 0.02 1.06 -0.20 -0.07 -0.00 0.00 0.00 178.44 179.24 2dkx h LEU 18 N 0.41 0.00 -1.46 0.17 3.38 -1.70 -3.48 115.31 112.63 2dkx h LEU 18 Ca -0.00 -0.01 -0.40 0.00 0.09 0.00 0.00 57.88 57.56 2dkx h LEU 18 Cb 1.14 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.97 2dkx h LEU 18 CO 0.11 0.00 -0.78 -3.20 0.09 0.00 0.00 178.44 174.66 2dkx n ASN 19 N -2.94 -2.85 -4.03 -0.43 2.85 0.33 -5.00 115.26 103.20 2dkx n ASN 19 Ca 0.03 -0.72 -0.25 0.00 -0.11 0.00 0.00 54.58 53.54 2dkx n ASN 19 Cb 0.52 -4.46 -0.05 0.00 1.24 0.00 0.00 39.78 37.03 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 -4.42 0.00 -3.47 -1.44 -5.35 -0.96 -5.03 119.36 98.69 2dkx n ILE 20 Ca -0.19 -1.89 -0.37 0.00 -0.27 0.00 0.00 62.75 60.03 2dkx n ILE 20 Cb 0.63 0.41 -0.06 0.00 -1.74 0.00 0.00 39.64 38.88 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 -2.48 5.22 0.58 7.28 -1.32 -1.26 -4.75 115.64 118.91 2dkx s THR 21 Ca 0.02 0.72 0.33 0.00 -1.21 0.00 0.00 61.69 61.55 2dkx s THR 21 Cb 0.00 -3.70 0.47 0.00 -1.51 0.00 0.00 72.50 67.77 2dkx s THR 21 CO 0.01 0.42 1.70 0.00 -2.21 0.00 0.00 174.62 174.54 2dkx h ALA 22 N 6.22 2.83 -2.10 11.08 0.00 -1.95 -3.38 119.26 131.97 2dkx h ALA 22 Ca -0.44 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 53.86 2dkx h ALA 22 Cb 1.18 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 2dkx h ALA 22 CO 0.72 -1.36 0.75 0.34 0.00 0.00 0.00 179.25 179.70 2dkx s ASP 23 N -4.66 7.03 0.27 0.00 -1.08 -1.26 -4.80 116.67 112.17 2dkx s ASP 23 Ca -0.04 1.27 0.05 0.00 -0.52 0.00 0.00 52.55 53.31 2dkx s ASP 23 Cb 0.19 -2.52 0.38 0.00 -1.46 0.00 0.00 42.92 39.50 2dkx s ASP 23 CO 0.65 -0.67 1.65 1.55 0.52 0.00 0.00 175.17 178.87 2dkx h PRO 24 N 7.58 0.28 0.00 4.34 0.13 -1.87 -2.63 132.00 139.83 2dkx h PRO 24 Ca -0.20 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2dkx h PRO 24 Cb 1.07 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2dkx h PRO 24 CO 0.97 0.68 0.00 -1.33 -0.23 0.00 0.00 178.00 178.09 2dkx n MET 25 N -3.99 0.24 0.00 0.86 2.81 -1.22 -1.95 117.12 113.87 2dkx n MET 25 Ca -0.02 0.12 0.08 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 31.44 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 0.81 -4.53 7.83 9.92 -0.99 -3.10 116.55 125.19 2dkx n ASP 26 Ca 0.08 -0.90 -0.33 0.00 -0.53 0.00 0.00 54.79 53.10 2dkx n ASP 26 Cb 0.14 0.98 -0.10 0.00 -0.64 0.00 0.00 41.12 41.49 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 -1.32 0.90 -3.51 1.24 8.01 -0.82 -4.83 117.44 117.11 2dkx n TRP 27 Ca 0.03 0.18 -0.13 0.00 -1.31 0.00 0.00 57.50 56.28 2dkx n TRP 27 Cb 0.26 -2.29 -0.04 0.00 -2.01 0.00 0.00 31.31 27.23 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 9.43 -0.49 0.06 -0.99 1.04 -1.26 -1.19 113.70 120.31 2dkx s SER 28 Ca 1.15 0.09 -0.18 0.00 0.48 0.00 0.00 55.95 57.49 2dkx s SER 28 Cb -0.65 0.54 -0.12 0.00 0.10 0.00 0.00 66.02 65.89 2dkx s SER 28 CO 0.36 -0.84 1.37 1.55 0.98 0.00 0.00 173.24 176.67 2dkx h PRO 29 N 2.40 0.49 -0.68 4.02 0.13 -2.03 -3.38 132.00 132.95 2dkx h PRO 29 Ca -0.32 -0.26 -0.49 0.00 -0.87 0.00 0.00 66.00 64.06 2dkx h PRO 29 Cb 1.25 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.99 2dkx h PRO 29 CO 0.40 0.84 -0.82 -1.13 -0.23 0.00 0.00 178.00 177.06 2dkx n SER 30 N -4.44 4.46 0.12 1.44 3.41 -1.26 -4.78 113.62 112.57 2dkx n SER 30 Ca -0.05 -3.62 0.02 0.00 -0.26 0.00 0.00 58.87 54.96 2dkx n SER 30 Cb 0.40 -0.36 0.37 0.00 -0.26 0.00 0.00 64.21 64.36 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 2.13 0.20 -0.87 4.04 -0.26 -1.75 -2.95 115.58 116.12 2dkx h ASN 31 Ca 0.31 -0.05 0.23 0.00 -0.56 0.00 0.00 56.30 56.23 2dkx h ASN 31 Cb 1.49 -0.05 -0.14 0.00 -1.06 0.00 0.00 38.32 38.55 2dkx h ASN 31 CO 0.67 0.41 0.22 0.58 -1.06 0.00 0.00 177.43 178.25 2dkx h VAL 32 N 0.20 0.31 -0.67 2.81 2.07 -1.86 0.24 116.25 119.34 2dkx h VAL 32 Ca 0.04 -0.07 0.13 0.00 0.82 0.00 0.00 66.70 67.62 2dkx h VAL 32 Cb 0.45 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.22 2dkx h VAL 32 CO 0.03 0.04 0.21 1.56 0.02 0.00 0.00 177.57 179.42 2dkx h GLN 33 N 0.20 0.33 -0.40 1.57 1.08 -1.90 -0.02 115.11 115.97 2dkx h GLN 33 Ca 0.55 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.77 2dkx h GLN 33 Cb 1.10 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 28.42 2dkx h GLN 33 CO -0.66 0.22 0.18 0.87 -0.95 0.00 0.00 178.83 178.48 2dkx h LYS 34 N 0.34 0.35 0.00 1.46 1.57 -0.69 0.10 116.57 119.71 2dkx h LYS 34 Ca 0.36 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 2dkx h LYS 34 Cb 0.54 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 2dkx h LYS 34 CO -0.41 0.23 -0.05 2.35 -0.57 0.00 0.00 179.45 181.01 2dkx h TRP 35 N 0.36 0.00 0.00 -1.35 7.01 -0.97 -2.53 115.95 118.47 2dkx h TRP 35 Ca 0.18 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.18 2dkx h TRP 35 Cb 0.12 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 2dkx h TRP 35 CO -0.12 0.05 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.48 2dkx h LEU 36 N 0.00 0.00 -1.35 0.65 3.38 0.55 -3.27 115.31 115.28 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 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2dkx h LEU 36 CO 0.01 0.17 0.45 0.17 0.09 0.00 0.00 178.44 179.32 2dkx h LEU 37 N -0.30 0.00 0.00 1.67 8.10 -0.94 0.36 115.31 124.19 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 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.25 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 -2.59 0.00 0.08 0.17 -0.00 -0.95 -3.41 117.44 110.74 2dkx n TRP 38 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.48 2dkx n TRP 38 Cb 0.48 -0.32 0.27 0.00 -0.00 0.00 0.00 31.31 31.75 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 -0.74 5.87 2.02 -1.51 -2.68 112.91 117.12 2dkx h THR 39 Ca 0.00 -1.20 0.22 0.00 0.77 0.00 0.00 66.41 66.19 2dkx h THR 39 Cb 0.00 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 2dkx h THR 39 CO 0.00 0.37 0.57 -0.08 0.37 0.00 0.00 175.52 176.75 2dkx h GLU 40 N 0.27 0.00 0.00 6.66 4.81 -0.45 0.85 114.58 126.72 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 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2dkx h GLU 40 CO 0.04 0.00 -0.81 1.58 -0.73 0.00 0.00 179.01 179.09 2dkx n HIS 41 N -4.16 0.23 0.19 0.92 -0.00 -1.02 -0.03 115.22 111.37 2dkx n HIS 41 Ca 0.15 0.07 0.11 0.00 0.46 0.00 0.00 57.72 58.51 2dkx n HIS 41 Cb 0.85 -0.40 -0.01 0.00 -0.12 0.00 0.00 29.99 30.31 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 -1.84 0.54 -0.00 1.57 6.02 0.27 -4.11 117.38 119.83 2dkx n GLN 42 Ca 0.03 0.06 0.01 0.00 -0.01 0.00 0.00 57.00 57.08 2dkx n GLN 42 Cb 0.40 -1.74 0.01 0.00 1.02 0.00 0.00 30.24 29.93 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 -2.47 0.01 -3.31 1.08 4.02 0.14 -5.01 117.16 111.62 2dkx n TYR 43 Ca -0.00 -0.06 -0.16 0.00 -0.01 0.00 0.00 57.90 57.67 2dkx n TYR 43 Cb 0.53 -0.01 0.08 0.00 -0.02 0.00 0.00 39.34 39.92 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 0.01 -6.03 -3.59 -0.72 5.12 -0.92 -5.01 116.66 105.51 2dkx n ARG 44 Ca 0.01 0.78 -0.26 0.00 -1.93 0.00 0.00 57.85 56.45 2dkx n ARG 44 Cb 0.06 -5.59 -0.02 0.00 -1.16 0.00 0.00 32.46 25.75 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 -5.99 4.16 1.03 0.55 1.43 0.96 -5.03 118.68 115.80 2dkx s LEU 45 Ca 0.00 0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 53.39 2dkx s LEU 45 Cb -0.00 -3.22 0.21 0.00 0.03 0.00 0.00 46.19 43.21 2dkx s LEU 45 CO 0.67 -0.13 1.09 -2.16 0.23 0.00 0.00 176.35 176.05 2dkx s PRO 46 N -3.69 0.14 -0.73 1.29 0.04 -1.26 -4.77 135.00 126.01 2dkx s PRO 46 Ca 0.39 0.42 -0.26 0.00 0.04 0.00 0.00 61.00 61.59 2dkx s PRO 46 Cb -0.10 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 2dkx s PRO 46 CO 0.31 -2.91 1.90 -1.25 0.04 0.00 0.00 177.00 175.09 2dkx s PRO 47 N -5.01 2.59 0.11 0.56 0.04 -1.26 -4.77 135.00 127.26 2dkx s PRO 47 Ca 0.66 0.24 0.18 0.00 0.04 0.00 0.00 61.00 62.12 2dkx s PRO 47 Cb -0.18 -4.66 -0.09 0.00 0.04 0.00 0.00 34.50 29.61 2dkx s PRO 47 CO 0.58 -3.00 0.91 0.52 0.04 0.00 0.00 177.00 176.05 2dkx h MET 48 N 13.48 0.00 -1.09 4.56 2.86 -1.97 -3.37 114.93 129.41 2dkx h MET 48 Ca -0.11 0.00 0.41 0.00 -2.06 0.00 0.00 59.70 57.94 2dkx h MET 48 Cb 1.10 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.60 2dkx h MET 48 CO 1.21 0.25 0.63 0.78 1.06 0.00 0.00 176.91 180.84 2dkx h GLY 49 N 3.75 2.01 1.51 8.32 0.00 -1.95 1.55 103.07 118.27 2dkx h GLY 49 Ca -0.12 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 2dkx h GLY 49 CO 0.04 -0.66 -0.33 1.70 0.00 0.00 0.00 176.54 177.29 2dkx h LYS 50 N 0.07 0.56 0.00 4.80 1.63 -1.99 1.51 116.57 123.15 2dkx h LYS 50 Ca 0.83 -0.25 -0.16 0.00 -0.85 0.00 0.00 60.65 60.22 2dkx h LYS 50 Cb 2.26 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 33.85 2dkx h LYS 50 CO -0.66 0.81 -0.80 0.00 -3.45 0.00 0.00 179.45 175.35 2dkx h ALA 51 N 1.17 0.51 -0.02 5.00 0.00 0.17 -3.26 119.26 122.84 2dkx h ALA 51 Ca 0.06 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2dkx h ALA 51 Cb 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2dkx h ALA 51 CO 0.07 0.97 -0.29 1.19 0.00 0.00 0.00 179.25 181.18 2dkx n PHE 52 N -3.28 0.00 -0.34 0.00 3.01 0.13 -4.48 117.46 112.51 2dkx n PHE 52 Ca 0.00 0.00 0.21 0.00 1.01 0.00 0.00 57.45 58.68 2dkx n PHE 52 Cb 0.85 0.00 0.44 0.00 -0.01 0.00 0.00 39.48 40.76 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 2.85 0.42 0.00 -1.08 3.07 0.21 1.10 115.11 121.68 2dkx h GLN 53 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 2dkx h GLN 53 Cb 0.75 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.22 2dkx h GLN 53 CO 0.00 0.28 -0.17 1.05 0.09 0.00 0.00 178.83 180.08 2dkx h GLU 54 N 0.44 0.00 -7.26 0.06 -0.00 -1.82 -3.46 114.58 102.54 2dkx h GLU 54 Ca 0.69 0.00 -0.49 0.00 -0.00 0.00 0.00 59.36 59.56 2dkx h GLU 54 Cb 1.49 0.00 0.04 0.00 -0.00 0.00 0.00 28.75 30.28 2dkx h GLU 54 CO -0.53 0.00 0.38 -0.51 -0.00 0.00 0.00 179.01 178.35 2dkx s LEU 55 N -6.06 3.42 0.36 3.06 1.43 0.38 -5.09 118.68 116.18 2dkx s LEU 55 Ca 0.06 1.45 0.04 0.00 -1.03 0.00 0.00 54.13 54.64 2dkx s LEU 55 Cb 0.06 -4.44 -0.03 0.00 0.03 0.00 0.00 46.19 41.80 2dkx s LEU 55 CO 0.69 -0.74 0.14 0.00 0.23 0.00 0.00 176.35 176.67 2dkx s ALA 56 N -2.92 2.48 0.27 4.21 0.00 -1.26 -4.91 121.76 119.62 2dkx s ALA 56 Ca 0.56 -1.55 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 2dkx s ALA 56 Cb -0.11 0.91 0.61 0.00 0.00 0.00 0.00 23.12 24.54 2dkx s ALA 56 CO 0.44 -0.41 1.68 0.78 0.00 0.00 0.00 175.76 178.25 2dkx h GLY 57 N 1.99 1.28 0.77 0.00 0.00 -1.27 -1.50 103.07 104.33 2dkx h GLY 57 Ca -0.35 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 2dkx h GLY 57 CO 0.56 -0.27 -0.28 0.07 0.00 0.00 0.00 176.54 176.62 2dkx h LYS 58 N 0.30 -0.75 -0.14 4.80 2.10 -1.67 -3.05 116.57 118.17 2dkx h LYS 58 Ca 0.50 0.05 0.01 0.00 -2.00 0.00 0.00 60.65 59.22 2dkx h LYS 58 Cb 0.93 0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 32.41 2dkx h LYS 58 CO -0.56 -0.43 -0.15 0.93 -2.00 0.00 0.00 179.45 177.24 2dkx h GLU 59 N -1.02 -0.08 -0.58 0.07 4.39 -1.74 0.55 114.58 116.17 2dkx h GLU 59 Ca -0.08 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.68 2dkx h GLU 59 Cb 0.65 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.25 2dkx h GLU 59 CO 0.13 -0.05 -0.34 1.28 -1.16 0.00 0.00 179.01 178.87 2dkx n LEU 60 N -3.43 -0.61 0.21 1.33 4.32 -0.63 0.23 117.00 118.42 2dkx n LEU 60 Ca -0.01 1.25 0.08 0.00 -0.02 0.00 0.00 56.01 57.31 2dkx n LEU 60 Cb 0.08 -0.24 0.62 0.00 -1.62 0.00 0.00 43.42 42.26 2dkx n LEU 60 CO -0.01 -0.95 1.09 0.00 -1.22 0.00 0.00 177.39 176.30 2dkx n ALA 62 N -2.54 2.36 -1.51 0.00 0.00 0.62 -4.85 120.51 114.59 2dkx n ALA 62 Ca -0.01 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 2dkx n ALA 62 Cb 0.12 -1.45 0.09 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.97 -0.55 -4.16 0.00 2.00 0.36 -5.02 117.12 107.78 2dkx n MET 63 Ca 0.06 -1.00 -0.17 0.00 0.00 0.00 0.00 57.70 56.59 2dkx n MET 63 Cb 0.40 -0.63 -0.12 0.00 0.00 0.00 0.00 33.22 32.87 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 -3.28 1.40 0.11 7.83 0.01 -1.26 -5.01 113.70 113.49 2dkx s SER 64 Ca 0.36 -0.56 -0.22 0.00 1.31 0.00 0.00 55.95 56.84 2dkx s SER 64 Cb -0.01 -0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.14 2dkx s SER 64 CO 0.25 -0.09 1.11 1.21 0.41 0.00 0.00 173.24 176.12 2dkx n GLU 65 N 1.48 -0.31 -0.30 12.44 2.13 -1.26 0.19 120.64 135.00 2dkx n GLU 65 Ca -0.21 1.09 0.10 0.00 0.66 0.00 0.00 57.16 58.80 2dkx n GLU 65 Cb 0.54 -1.60 0.26 0.00 0.27 0.00 0.00 31.44 30.91 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 0.49 -0.42 5.31 3.07 -1.97 -0.23 114.58 120.83 2dkx h GLU 66 Ca 0.11 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.98 2dkx h GLU 66 Cb 0.29 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.06 2dkx h GLU 66 CO -0.67 0.32 0.21 1.96 -1.40 0.00 0.00 179.01 179.44 2dkx h GLN 67 N 0.50 0.42 0.00 2.33 1.08 0.16 -0.69 115.11 118.91 2dkx h GLN 67 Ca 0.50 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.67 2dkx h GLN 67 Cb 0.84 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.17 2dkx h GLN 67 CO -0.44 0.28 -0.01 0.74 -0.95 0.00 0.00 178.83 178.44 2dkx h PHE 68 N 0.43 0.00 0.00 2.96 -1.00 0.13 0.12 116.94 119.58 2dkx h PHE 68 Ca 0.18 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.96 2dkx h PHE 68 Cb 0.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.64 2dkx h PHE 68 CO -0.10 0.01 -0.52 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 -0.63 -2.43 114.38 115.91 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 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2dkx h ARG 69 CO 0.00 0.00 -0.35 1.96 -1.07 0.00 0.00 179.97 180.51 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 1.08 0.34 -3.20 115.11 113.37 2dkx h GLN 70 Ca 0.00 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.96 2dkx h GLN 70 Cb 0.92 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.31 2dkx h GLN 70 CO 0.00 0.35 -2.03 2.89 -0.95 0.00 0.00 178.83 179.09 2dkx n ARG 71 N -3.63 1.25 -3.64 1.46 1.85 -1.19 -4.86 116.66 107.90 2dkx n ARG 71 Ca -0.01 -0.03 -0.29 0.00 -1.00 0.00 0.00 57.85 56.51 2dkx n ARG 71 Cb 0.46 -1.41 -0.14 0.00 -1.05 0.00 0.00 32.46 30.32 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 -4.77 3.70 0.04 2.89 0.15 -0.92 -4.96 113.70 109.83 2dkx s SER 72 Ca -0.08 -1.79 -0.20 0.00 0.70 0.00 0.00 55.95 54.59 2dkx s SER 72 Cb 0.06 -0.70 -0.14 0.00 -1.71 0.00 0.00 66.02 63.53 2dkx s SER 72 CO 0.66 -0.38 1.35 1.55 1.20 0.00 0.00 173.24 177.61 2dkx h PRO 73 N 7.80 0.35 0.00 5.44 0.13 -1.82 0.29 132.00 144.19 2dkx h PRO 73 Ca -0.10 -0.19 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2dkx h PRO 73 Cb 0.99 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 2dkx h PRO 73 CO 0.43 0.74 -0.06 -0.07 -0.23 0.00 0.00 178.00 178.82 2dkx h LEU 74 N -0.02 0.00 0.00 1.56 3.38 -1.94 -3.41 115.31 114.88 2dkx h LEU 74 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2dkx h LEU 74 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2dkx h LEU 74 CO 0.04 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.23 2dkx n GLY 75 N -0.73 0.47 6.03 0.83 0.00 -1.15 -4.91 105.19 105.72 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 4.55 0.41 0.34 -0.02 0.00 0.10 -2.36 105.19 108.22 2dkx n GLY 76 Ca 0.00 0.42 0.05 0.00 0.00 0.00 0.00 46.02 46.49 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 2.66 -0.35 -0.27 1.61 2.03 -1.26 0.88 116.55 121.85 2dkx n ASP 77 Ca 0.00 1.62 0.08 0.00 0.52 0.00 0.00 54.79 57.01 2dkx n ASP 77 Cb 0.00 -0.48 0.20 0.00 -0.72 0.00 0.00 41.12 40.12 2dkx n ASP 77 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2dkx h VAL 78 N 0.00 0.37 0.38 5.18 3.04 -1.84 0.41 116.25 123.79 2dkx h VAL 78 Ca 0.45 -0.06 -0.02 0.00 -1.01 0.00 0.00 66.70 66.06 2dkx h VAL 78 Cb 0.68 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 2dkx h VAL 78 CO -0.97 0.03 -0.18 -0.07 -1.01 0.00 0.00 177.57 175.37 2dkx h LEU 79 N 0.18 -0.43 -1.86 3.16 3.38 0.24 0.24 115.31 120.22 2dkx h LEU 79 Ca 0.46 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.62 2dkx h LEU 79 Cb 0.84 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2dkx h LEU 79 CO -0.63 -0.28 0.60 -0.74 0.09 0.00 0.00 178.44 177.48 2dkx h HIS 80 N -0.55 0.00 0.03 1.13 2.76 -1.08 0.21 115.15 117.65 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 0.39 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.35 2dkx h HIS 80 CO 0.12 0.00 -0.01 0.00 -1.30 0.00 0.00 177.93 176.74 2dkx h ALA 81 N 1.38 -0.11 0.00 5.26 0.00 0.07 -2.47 119.26 123.39 2dkx h ALA 81 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2dkx h ALA 81 Cb 1.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2dkx h ALA 81 CO -0.00 -0.10 0.20 1.25 0.00 0.00 0.00 179.25 180.59 2dkx h HIS 82 N -0.28 0.00 0.15 0.00 6.17 -0.14 -0.46 115.15 120.59 2dkx h HIS 82 Ca -0.00 0.00 -0.26 0.00 0.71 0.00 0.00 60.37 60.81 2dkx h HIS 82 Cb 0.03 0.00 0.01 0.00 2.52 0.00 0.00 27.41 29.97 2dkx h HIS 82 CO 0.02 0.00 -1.26 1.25 0.71 0.00 0.00 177.93 178.65 2dkx h LEU 83 N 0.00 0.50 -0.96 0.26 5.85 -0.68 -3.35 115.31 116.93 2dkx h LEU 83 Ca 0.00 -0.91 0.28 0.00 0.84 0.00 0.00 57.88 58.09 2dkx h LEU 83 Cb 0.40 -0.16 -0.17 0.00 0.37 0.00 0.00 40.66 41.09 2dkx h LEU 83 CO 0.00 1.58 0.10 -0.78 -0.34 0.00 0.00 178.44 179.00 2dkx h ASP 84 N -0.22 -0.33 -0.98 1.25 3.58 -0.58 1.07 116.42 120.21 2dkx h ASP 84 Ca -0.25 0.26 0.13 0.00 0.42 0.00 0.00 57.03 57.59 2dkx h ASP 84 Cb 1.81 0.43 -0.08 0.00 1.72 0.00 0.00 39.33 43.21 2dkx h ASP 84 CO 0.13 -0.33 0.62 0.40 -2.88 0.00 0.00 179.24 177.18 2dkx h ILE 85 N 0.04 0.89 0.05 2.25 5.03 -1.69 0.20 117.51 124.29 2dkx h ILE 85 Ca 0.61 -0.31 -0.00 0.00 -0.12 0.00 0.00 64.86 65.03 2dkx h ILE 85 Cb 1.29 -0.11 0.00 0.00 -3.03 0.00 0.00 36.82 34.97 2dkx h ILE 85 CO -0.86 0.17 -0.02 -0.50 -0.68 0.00 0.00 178.15 176.25 2dkx h TRP 86 N 0.92 -0.06 -0.94 1.37 4.06 0.97 -2.77 115.95 119.49 2dkx h TRP 86 Ca 0.49 -0.00 0.28 0.00 2.06 0.00 0.00 58.89 61.72 2dkx h TRP 86 Cb 0.56 0.02 -0.15 0.00 -1.00 0.00 0.00 29.16 28.59 2dkx h TRP 86 CO -0.00 -0.04 0.36 1.57 -3.56 0.00 0.00 178.44 176.76 2dkx h LYS 87 N -0.17 0.22 -0.36 0.49 2.10 -1.26 0.42 116.57 118.00 2dkx h LYS 87 Ca -0.01 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.65 2dkx h LYS 87 Cb 0.05 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 2dkx h LYS 87 CO 0.01 0.14 0.20 1.03 -2.00 0.00 0.00 179.45 178.84 2dkx h SER 88 N 0.22 0.33 0.70 7.07 0.87 -0.70 0.17 113.55 122.21 2dkx h SER 88 Ca 0.64 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 61.11 2dkx h SER 88 Cb 1.39 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 2dkx h SER 88 CO -0.67 0.24 -0.45 0.00 -0.53 0.00 0.00 176.83 175.43 2dkx h ALA 89 N 1.16 1.04 0.00 6.23 0.00 -0.07 -2.76 119.26 124.86 2dkx h ALA 89 Ca 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2dkx h ALA 89 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2dkx h ALA 89 CO -0.07 0.56 -0.07 0.00 0.00 0.00 0.00 179.25 179.66 2dkx h ALA 90 N 1.55 0.96 -0.42 0.00 0.00 0.26 -3.30 119.26 118.30 2dkx h ALA 90 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 2dkx h ALA 90 Cb 0.92 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.58 2dkx h ALA 90 CO 0.06 0.00 0.37 0.45 0.00 0.00 0.00 179.25 180.13 2dkx n SER 91 N -2.56 6.18 0.00 0.00 2.88 0.55 -5.00 113.62 115.67 2dkx n SER 91 Ca 0.05 -2.98 0.00 0.00 -1.33 0.00 0.00 58.87 54.61 2dkx n SER 91 Cb 0.47 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 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 0.43 0.86 3.77 0.46 0.00 -1.24 -4.75 105.19 104.72 2dkx n GLY 92 Ca 0.27 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 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 2.40 -0.57 1.61 0.04 -1.26 -4.75 135.00 132.47 2dkx s PRO 93 Ca 0.00 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.29 2dkx s PRO 93 Cb 0.00 -1.91 0.42 0.00 0.04 0.00 0.00 34.50 33.05 2dkx s PRO 93 CO 0.00 -1.54 1.64 -1.13 0.04 0.00 0.00 177.00 176.01 2dkx n SER 94 N -3.21 6.39 -4.69 6.66 3.41 -1.26 -5.03 113.62 115.89 2dkx n SER 94 Ca 0.09 -3.78 -0.43 0.00 -0.26 0.00 0.00 58.87 54.50 2dkx n SER 94 Cb 0.53 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 2dkx n SER 94 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dkx n SER 95 N -0.70 3.99 -0.57 4.04 3.41 -1.26 -5.28 113.62 117.25 2dkx n SER 95 Ca 0.52 0.99 0.14 0.00 -0.26 0.00 0.00 58.87 60.25 2dkx n SER 95 Cb 0.64 -1.53 0.45 0.00 -0.26 0.00 0.00 64.21 63.51 2dkx n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49