#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 0.29 -0.00 1.61 7.64 -1.26 -4.92 113.62 116.98 2dkx n SER 2 Ca 0.00 1.15 -0.03 0.00 1.01 0.00 0.00 58.87 61.00 2dkx n SER 2 Cb 0.00 -1.08 -0.01 0.00 -1.01 0.00 0.00 64.21 62.11 2dkx n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dkx n SER 3 N 1.82 1.21 0.00 6.43 7.64 -1.26 -4.87 113.62 124.59 2dkx n SER 3 Ca 0.16 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2dkx n SER 3 Cb 0.22 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2dkx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkx n GLY 4 N 2.76 -3.38 3.58 0.23 0.00 -1.26 -4.51 105.19 102.61 2dkx n GLY 4 Ca -0.04 0.72 -0.34 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.77 4.79 0.11 1.61 0.15 -1.26 -5.12 113.70 111.20 2dkx s SER 5 Ca 0.00 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.65 2dkx s SER 5 Cb 0.00 -1.37 0.02 0.00 -1.71 0.00 0.00 66.02 62.95 2dkx s SER 5 CO 0.00 0.32 0.14 -1.20 1.20 0.00 0.00 173.24 173.70 2dkx n SER 6 N 2.51 0.57 -0.04 5.45 7.64 -1.26 -4.89 113.62 123.60 2dkx n SER 6 Ca -0.18 -1.31 -0.01 0.00 1.01 0.00 0.00 58.87 58.38 2dkx n SER 6 Cb 0.53 -0.07 -0.15 0.00 -1.01 0.00 0.00 64.21 63.52 2dkx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkx n GLY 7 N 3.66 -1.04 0.24 0.23 0.00 -1.26 -4.15 105.19 102.87 2dkx n GLY 7 Ca 0.02 -0.35 0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.63 0.77 -0.34 0.99 -0.00 -1.26 -4.07 117.00 110.45 2dkx n LEU 8 Ca -0.19 -0.24 0.27 0.00 -0.00 0.00 0.00 56.01 55.85 2dkx n LEU 8 Cb 0.91 -0.02 0.56 0.00 -0.00 0.00 0.00 43.42 44.87 2dkx n LEU 8 CO 0.44 0.13 1.23 0.11 -0.00 0.00 0.00 177.39 179.30 2dkx h LYS 9 N 1.18 0.28 0.00 1.47 1.79 -1.99 0.61 116.57 119.91 2dkx h LYS 9 Ca 0.00 -0.02 -0.21 0.00 -2.18 0.00 0.00 60.65 58.25 2dkx h LYS 9 Cb 0.28 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 2dkx h LYS 9 CO 0.00 0.19 -1.17 -0.44 -1.08 0.00 0.00 179.45 176.95 2dkx h ASP 10 N 0.29 0.00 0.13 0.86 5.19 -1.90 -3.35 116.42 117.65 2dkx h ASP 10 Ca 0.63 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 57.03 2dkx h ASP 10 Cb 1.79 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.30 2dkx h ASP 10 CO -0.28 0.85 -0.06 0.40 -3.12 0.00 0.00 179.24 177.02 2dkx h ILE 11 N 0.00 0.92 -0.91 0.35 2.04 -0.05 -2.80 117.51 117.06 2dkx h ILE 11 Ca -0.11 -0.23 0.18 0.00 1.00 0.00 0.00 64.86 65.71 2dkx h ILE 11 Cb 1.74 1.07 -0.10 0.00 -0.74 0.00 0.00 36.82 38.78 2dkx h ILE 11 CO 0.09 0.05 0.49 1.05 0.00 0.00 0.00 178.15 179.83 2dkx h GLU 12 N -0.29 0.60 0.00 2.37 4.11 -1.43 0.56 114.58 120.51 2dkx h GLU 12 Ca -0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 2dkx h GLU 12 Cb 0.23 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2dkx h GLU 12 CO 0.03 0.40 -0.04 1.15 0.07 0.00 0.00 179.01 180.62 2dkx h THR 13 N 0.62 0.22 0.00 -1.06 2.02 -1.63 -1.09 112.91 112.00 2dkx h THR 13 Ca 0.52 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.37 2dkx h THR 13 Cb 0.83 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2dkx h THR 13 CO -0.41 0.04 -0.76 0.00 0.37 0.00 0.00 175.52 174.77 2dkx n ALA 14 N -2.16 3.41 0.92 6.16 0.00 0.19 -3.84 120.51 125.19 2dkx n ALA 14 Ca -0.02 -0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.17 2dkx n ALA 14 Cb 0.20 -1.06 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.40 -0.37 0.00 1.57 -1.51 0.33 116.57 116.18 2dkx h LYS 16 Ca 0.00 0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 2dkx h LYS 16 Cb 0.54 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 2dkx h LYS 16 CO 0.00 -0.14 -0.17 1.37 -0.57 0.00 0.00 179.45 179.94 2dkx h LEU 17 N -1.03 0.69 -0.12 2.94 -0.00 -1.77 -2.66 115.31 113.35 2dkx h LEU 17 Ca -0.04 -0.22 -0.04 0.00 -0.00 0.00 0.00 57.88 57.58 2dkx h LEU 17 Cb 0.44 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 2dkx h LEU 17 CO 0.07 0.86 -0.20 -0.07 -0.00 0.00 0.00 178.44 179.10 2dkx h LEU 18 N 0.62 0.00 -0.78 0.17 3.38 -1.66 -3.47 115.31 113.57 2dkx h LEU 18 Ca 0.10 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.68 2dkx h LEU 18 Cb 0.63 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.51 2dkx h LEU 18 CO 0.04 0.20 -0.66 -3.20 0.09 0.00 0.00 178.44 174.92 2dkx n ASN 19 N -3.16 -6.26 -4.05 -0.43 5.15 0.11 -5.00 115.26 101.61 2dkx n ASN 19 Ca 0.03 -0.51 -0.23 0.00 -0.60 0.00 0.00 54.58 53.27 2dkx n ASN 19 Cb 0.59 -4.89 -0.03 0.00 -0.53 0.00 0.00 39.78 34.92 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 -4.92 0.00 -3.45 -1.44 -5.35 -0.84 -5.03 119.36 98.33 2dkx n ILE 20 Ca 0.00 -1.74 -0.37 0.00 -0.27 0.00 0.00 62.75 60.38 2dkx n ILE 20 Cb 0.56 0.17 -0.06 0.00 -1.74 0.00 0.00 39.64 38.57 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 -2.25 4.96 0.65 7.28 -1.32 -1.26 -4.78 115.64 118.92 2dkx s THR 21 Ca 0.09 0.79 0.37 0.00 -1.21 0.00 0.00 61.69 61.73 2dkx s THR 21 Cb -0.01 -3.73 0.39 0.00 -1.51 0.00 0.00 72.50 67.65 2dkx s THR 21 CO 0.06 0.42 2.20 0.00 -2.21 0.00 0.00 174.62 175.09 2dkx h ALA 22 N 4.14 1.26 -2.44 11.08 0.00 -1.95 -3.40 119.26 127.95 2dkx h ALA 22 Ca -0.50 -0.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.81 2dkx h ALA 22 Cb 1.21 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 2dkx h ALA 22 CO 0.64 -0.14 0.23 0.34 0.00 0.00 0.00 179.25 180.33 2dkx s ASP 23 N -5.15 6.66 0.26 0.00 -1.08 -1.26 -4.74 116.67 111.36 2dkx s ASP 23 Ca -0.05 0.81 0.03 0.00 -0.52 0.00 0.00 52.55 52.83 2dkx s ASP 23 Cb 0.12 -2.36 0.33 0.00 -1.46 0.00 0.00 42.92 39.55 2dkx s ASP 23 CO 0.41 -0.39 1.63 1.55 0.52 0.00 0.00 175.17 178.89 2dkx h PRO 24 N 7.77 0.35 0.00 4.34 0.13 -1.86 -2.65 132.00 140.08 2dkx h PRO 24 Ca -0.27 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2dkx h PRO 24 Cb 1.12 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2dkx h PRO 24 CO 0.80 0.73 0.00 -1.33 -0.23 0.00 0.00 178.00 177.97 2dkx n MET 25 N -4.00 0.21 0.00 0.86 2.81 -1.26 -1.67 117.12 114.08 2dkx n MET 25 Ca -0.02 0.14 0.07 0.00 -1.81 0.00 0.00 57.70 56.09 2dkx n MET 25 Cb 0.52 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.48 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 1.05 -4.48 7.83 8.00 -1.00 -2.86 116.55 123.81 2dkx n ASP 26 Ca 0.07 -1.02 -0.47 0.00 0.71 0.00 0.00 54.79 54.07 2dkx n ASP 26 Cb 0.12 0.79 -0.07 0.00 -0.02 0.00 0.00 41.12 41.94 2dkx n ASP 26 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2dkx n TRP 27 N -0.87 1.56 -3.56 1.24 8.01 -0.67 -4.85 117.44 118.30 2dkx n TRP 27 Ca 0.04 0.21 -0.06 0.00 -1.31 0.00 0.00 57.50 56.38 2dkx n TRP 27 Cb 0.27 -2.56 -0.02 0.00 -2.01 0.00 0.00 31.31 26.99 2dkx n TRP 27 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 2dkx s SER 28 N 8.12 -0.25 0.15 -0.99 0.01 -1.26 -0.48 113.70 119.01 2dkx s SER 28 Ca 1.09 -0.03 -0.10 0.00 1.31 0.00 0.00 55.95 58.22 2dkx s SER 28 Cb -0.74 0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.77 2dkx s SER 28 CO 0.45 -0.47 1.49 1.55 0.41 0.00 0.00 173.24 176.67 2dkx h PRO 29 N 2.00 0.90 -0.26 12.44 0.13 -2.02 -3.37 132.00 141.82 2dkx h PRO 29 Ca -0.17 -0.47 -0.22 0.00 -0.87 0.00 0.00 66.00 64.27 2dkx h PRO 29 Cb 1.21 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 32.11 2dkx h PRO 29 CO 0.27 1.12 -0.78 -1.13 -0.23 0.00 0.00 178.00 177.26 2dkx n SER 30 N -4.05 2.41 -0.07 1.44 3.41 -1.26 -4.81 113.62 110.68 2dkx n SER 30 Ca -0.02 -3.23 0.02 0.00 -0.26 0.00 0.00 58.87 55.38 2dkx n SER 30 Cb 0.54 -0.43 0.33 0.00 -0.26 0.00 0.00 64.21 64.39 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 1.54 0.61 -0.95 4.04 4.21 -1.79 -2.80 115.58 120.43 2dkx h ASN 31 Ca 0.03 -0.04 0.25 0.00 1.21 0.00 0.00 56.30 57.76 2dkx h ASN 31 Cb 1.36 -0.16 -0.18 0.00 -1.12 0.00 0.00 38.32 38.23 2dkx h ASN 31 CO 0.25 0.50 0.02 0.58 -1.29 0.00 0.00 177.43 177.49 2dkx h VAL 32 N 0.70 0.07 -1.01 2.81 2.07 -1.87 0.90 116.25 119.92 2dkx h VAL 32 Ca 0.18 -0.01 0.24 0.00 0.82 0.00 0.00 66.70 67.93 2dkx h VAL 32 Cb 0.03 0.04 -0.12 0.00 -1.52 0.00 0.00 31.29 29.72 2dkx h VAL 32 CO -0.03 0.01 0.61 1.56 0.02 0.00 0.00 177.57 179.74 2dkx h GLN 33 N 0.03 0.55 0.11 1.57 1.08 -1.86 0.52 115.11 117.11 2dkx h GLN 33 Ca 0.57 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.73 2dkx h GLN 33 Cb 1.14 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 2dkx h GLN 33 CO -0.88 0.37 -0.05 0.87 -0.95 0.00 0.00 178.83 178.18 2dkx h LYS 34 N 0.57 -0.15 0.00 1.46 1.57 0.66 -1.66 116.57 119.03 2dkx h LYS 34 Ca 0.63 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.41 2dkx h LYS 34 Cb 1.24 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 2dkx h LYS 34 CO -0.44 0.09 -0.04 2.35 -0.57 0.00 0.00 179.45 180.85 2dkx h TRP 35 N -0.37 0.00 0.10 -1.35 7.01 -0.94 -2.18 115.95 118.23 2dkx h TRP 35 Ca -0.02 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 2dkx h TRP 35 Cb 0.30 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 2dkx h TRP 35 CO -0.00 0.04 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.56 2dkx h LEU 36 N 0.00 -0.12 -1.61 0.65 3.38 -0.64 -3.21 115.31 113.77 2dkx h LEU 36 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2dkx h LEU 36 Cb 0.08 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2dkx h LEU 36 CO 0.00 0.01 0.57 0.17 0.09 0.00 0.00 178.44 179.28 2dkx h LEU 37 N -0.33 0.00 0.00 1.67 8.10 -1.28 0.36 115.31 123.83 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 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.33 2dkx h LEU 37 CO 0.02 0.00 0.00 1.87 -4.11 0.00 0.00 178.44 176.22 2dkx n TRP 38 N -3.16 0.00 0.12 0.17 -0.00 -0.83 -2.94 117.44 110.80 2dkx n TRP 38 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.53 2dkx n TRP 38 Cb 0.69 -0.33 0.22 0.00 -0.00 0.00 0.00 31.31 31.88 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 1.35 -0.54 5.87 2.02 -1.46 -2.89 112.91 117.25 2dkx h THR 39 Ca 0.00 -1.70 0.16 0.00 0.77 0.00 0.00 66.41 65.64 2dkx h THR 39 Cb 0.00 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 2dkx h THR 39 CO 0.00 0.50 0.48 -0.08 0.37 0.00 0.00 175.52 176.79 2dkx h GLU 40 N 0.12 0.00 0.00 6.66 4.81 -0.40 0.50 114.58 126.27 2dkx h GLU 40 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2dkx h GLU 40 Cb 0.90 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 2dkx h GLU 40 CO 0.07 0.00 -1.29 1.58 -0.73 0.00 0.00 179.01 178.64 2dkx n HIS 41 N -3.94 0.79 1.05 0.92 -0.00 -1.10 -0.14 115.22 112.80 2dkx n HIS 41 Ca 0.10 0.24 0.13 0.00 0.46 0.00 0.00 57.72 58.64 2dkx n HIS 41 Cb 0.70 -0.91 0.34 0.00 -0.12 0.00 0.00 29.99 29.99 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 -2.65 0.13 0.00 1.57 6.02 0.15 -3.88 117.38 118.72 2dkx n GLN 42 Ca -0.04 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2dkx n GLN 42 Cb 0.63 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.39 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 -1.38 0.00 -3.29 1.08 4.02 0.31 -5.02 117.16 112.87 2dkx n TYR 43 Ca 0.07 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.80 2dkx n TYR 43 Cb 0.33 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.73 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 -0.21 -6.05 -3.40 -0.72 5.12 -0.84 -5.01 116.66 105.54 2dkx n ARG 44 Ca 0.00 0.73 -0.27 0.00 -1.93 0.00 0.00 57.85 56.38 2dkx n ARG 44 Cb 0.05 -5.41 -0.03 0.00 -1.16 0.00 0.00 32.46 25.91 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 -5.96 4.07 1.03 0.55 1.43 0.80 -5.03 118.68 115.58 2dkx s LEU 45 Ca 0.14 0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 53.70 2dkx s LEU 45 Cb -0.06 -3.41 0.21 0.00 0.03 0.00 0.00 46.19 42.95 2dkx s LEU 45 CO 0.63 -0.20 1.09 -2.16 0.23 0.00 0.00 176.35 175.95 2dkx s PRO 46 N -3.72 0.17 -0.68 1.29 0.04 -1.26 -4.79 135.00 126.04 2dkx s PRO 46 Ca 0.42 0.43 -0.26 0.00 0.04 0.00 0.00 61.00 61.63 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 0.32 -2.89 1.88 -1.25 0.04 0.00 0.00 177.00 175.10 2dkx s PRO 47 N -5.00 2.61 0.05 0.56 0.04 -1.26 -4.78 135.00 127.22 2dkx s PRO 47 Ca 0.66 0.39 0.16 0.00 0.04 0.00 0.00 61.00 62.24 2dkx s PRO 47 Cb -0.18 -4.55 -0.15 0.00 0.04 0.00 0.00 34.50 29.66 2dkx s PRO 47 CO 0.58 -2.89 0.83 0.52 0.04 0.00 0.00 177.00 176.08 2dkx h MET 48 N 14.06 0.00 -0.99 4.56 2.86 -1.96 -3.38 114.93 130.07 2dkx h MET 48 Ca -0.17 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.71 2dkx h MET 48 Cb 1.12 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 32.60 2dkx h MET 48 CO 1.22 0.34 -0.09 0.78 1.06 0.00 0.00 176.91 180.22 2dkx h GLY 49 N 3.66 1.03 1.52 8.32 0.00 -1.93 1.59 103.07 117.25 2dkx h GLY 49 Ca -0.18 0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.40 2dkx h GLY 49 CO 0.05 -0.46 0.30 1.70 0.00 0.00 0.00 176.54 178.13 2dkx h LYS 50 N 0.00 0.55 0.00 4.80 1.63 -1.99 1.15 116.57 122.71 2dkx h LYS 50 Ca 0.55 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.30 2dkx h LYS 50 Cb 1.03 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.53 2dkx h LYS 50 CO -0.97 0.36 -0.64 0.00 -3.45 0.00 0.00 179.45 174.75 2dkx h ALA 51 N 1.73 0.70 -0.33 5.00 0.00 0.17 -3.28 119.26 123.25 2dkx h ALA 51 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2dkx h ALA 51 Cb -0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2dkx h ALA 51 CO -0.04 0.13 0.00 1.19 0.00 0.00 0.00 179.25 180.53 2dkx n PHE 52 N -2.89 0.43 -0.32 0.00 3.01 0.21 -4.55 117.46 113.37 2dkx n PHE 52 Ca 0.01 -0.30 0.08 0.00 1.01 0.00 0.00 57.45 58.25 2dkx n PHE 52 Cb 0.58 -0.01 0.24 0.00 -0.01 0.00 0.00 39.48 40.28 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 3.28 0.69 0.00 -1.08 4.20 0.13 0.36 115.11 122.68 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 0.81 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.43 2dkx h GLN 53 CO 0.00 0.46 -0.13 -0.85 -0.67 0.00 0.00 178.83 177.64 2dkx n GLU 54 N -4.81 0.03 -3.17 1.46 0.28 -1.26 -4.84 120.64 108.33 2dkx n GLU 54 Ca 0.18 0.02 -0.32 0.00 -0.16 0.00 0.00 57.16 56.88 2dkx n GLU 54 Cb 0.44 -1.53 -0.06 0.00 1.43 0.00 0.00 31.44 31.72 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 -3.18 4.07 0.32 -1.84 1.43 0.13 -5.09 118.68 114.52 2dkx s LEU 55 Ca 0.13 1.21 0.03 0.00 -1.03 0.00 0.00 54.13 54.47 2dkx s LEU 55 Cb 0.18 -4.01 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 2dkx s LEU 55 CO 0.58 -0.19 0.11 0.00 0.23 0.00 0.00 176.35 177.07 2dkx s ALA 56 N -1.98 2.26 0.12 4.21 0.00 -1.26 -4.89 121.76 120.22 2dkx s ALA 56 Ca 0.53 -1.75 -0.26 0.00 0.00 0.00 0.00 51.96 50.48 2dkx s ALA 56 Cb -0.10 0.88 -0.07 0.00 0.00 0.00 0.00 23.12 23.82 2dkx s ALA 56 CO 0.19 -0.39 1.44 0.78 0.00 0.00 0.00 175.76 177.77 2dkx h GLY 57 N 2.12 -1.21 -0.02 0.00 0.00 -0.91 -0.25 103.07 102.81 2dkx h GLY 57 Ca -0.37 0.80 0.07 0.00 0.00 0.00 0.00 47.33 47.83 2dkx h GLY 57 CO 0.61 -0.21 -0.30 0.07 0.00 0.00 0.00 176.54 176.71 2dkx h LYS 58 N -0.18 -0.28 -0.09 4.80 2.10 -1.62 -2.25 116.57 119.06 2dkx h LYS 58 Ca 0.09 0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.77 2dkx h LYS 58 Cb 0.41 0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 31.78 2dkx h LYS 58 CO -0.60 -0.18 -0.21 0.93 -2.00 0.00 0.00 179.45 177.38 2dkx h GLU 59 N -0.29 -0.19 -0.96 0.07 4.39 -1.62 0.75 114.58 116.73 2dkx h GLU 59 Ca 0.15 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.96 2dkx h GLU 59 Cb 0.52 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.09 2dkx h GLU 59 CO -0.46 -0.13 -0.52 1.28 -1.16 0.00 0.00 179.01 178.03 2dkx n LEU 60 N -3.67 -0.92 0.25 1.33 4.32 -0.21 0.19 117.00 118.29 2dkx n LEU 60 Ca -0.02 1.70 0.10 0.00 -0.02 0.00 0.00 56.01 57.77 2dkx n LEU 60 Cb 0.14 -0.26 0.66 0.00 -1.62 0.00 0.00 43.42 42.33 2dkx n LEU 60 CO 0.02 -1.42 0.98 0.00 -1.22 0.00 0.00 177.39 175.75 2dkx n ALA 62 N -2.41 2.65 -1.82 0.00 0.00 0.51 -4.88 120.51 114.56 2dkx n ALA 62 Ca -0.02 -0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.08 2dkx n ALA 62 Cb 0.20 -1.32 0.18 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 -2.08 -1.09 -4.18 0.00 2.00 0.43 -5.02 117.12 107.18 2dkx n MET 63 Ca 0.05 -1.80 -0.19 0.00 0.00 0.00 0.00 57.70 55.76 2dkx n MET 63 Cb 0.42 -1.17 -0.12 0.00 0.00 0.00 0.00 33.22 32.35 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 -5.20 1.77 0.11 7.83 0.01 -1.26 -5.00 113.70 111.94 2dkx s SER 64 Ca 0.65 -0.63 -0.20 0.00 1.31 0.00 0.00 55.95 57.08 2dkx s SER 64 Cb -0.02 -0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.11 2dkx s SER 64 CO 0.46 -0.07 1.10 1.21 0.41 0.00 0.00 173.24 176.35 2dkx n GLU 65 N 1.23 -0.29 -0.30 12.44 2.13 -1.26 0.17 120.64 134.76 2dkx n GLU 65 Ca -0.21 1.08 0.10 0.00 0.66 0.00 0.00 57.16 58.79 2dkx n GLU 65 Cb 0.54 -1.59 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 0.47 -0.80 5.31 4.39 -1.96 0.18 114.58 122.17 2dkx h GLU 66 Ca 0.11 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2dkx h GLU 66 Cb 0.27 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 2dkx h GLU 66 CO -0.62 0.31 0.48 1.96 -1.16 0.00 0.00 179.01 179.98 2dkx h GLN 67 N 0.48 1.08 0.00 2.33 1.08 0.14 -1.06 115.11 119.16 2dkx h GLN 67 Ca 0.51 -0.09 -0.04 0.00 -1.45 0.00 0.00 58.65 57.58 2dkx h GLN 67 Cb 0.87 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 2dkx h GLN 67 CO -0.46 0.76 -0.17 0.74 -0.95 0.00 0.00 178.83 178.74 2dkx h PHE 68 N 1.10 0.00 0.00 2.96 -1.00 0.11 -2.27 116.94 117.84 2dkx h PHE 68 Ca 0.29 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.07 2dkx h PHE 68 Cb -0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.51 2dkx h PHE 68 CO 0.00 0.17 -0.60 0.00 -1.61 0.00 0.00 178.31 176.28 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.52 -2.61 114.38 115.83 2dkx h ARG 69 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2dkx h ARG 69 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2dkx h ARG 69 CO 0.02 0.00 -0.26 1.96 -1.07 0.00 0.00 179.97 180.62 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 1.08 -0.70 -3.19 115.11 112.34 2dkx h GLN 70 Ca 0.00 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.91 2dkx h GLN 70 Cb 0.94 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.32 2dkx h GLN 70 CO 0.00 0.26 -2.08 2.89 -0.95 0.00 0.00 178.83 178.95 2dkx n ARG 71 N -3.69 1.30 -3.75 1.46 1.85 -1.24 -4.86 116.66 107.73 2dkx n ARG 71 Ca -0.01 0.01 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 2dkx n ARG 71 Cb 0.37 -1.40 -0.14 0.00 -1.05 0.00 0.00 32.46 30.24 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 -5.08 3.98 -0.00 2.89 0.15 -0.98 -4.98 113.70 109.68 2dkx s SER 72 Ca -0.11 -1.96 -0.24 0.00 0.70 0.00 0.00 55.95 54.34 2dkx s SER 72 Cb 0.05 -0.97 -0.18 0.00 -1.71 0.00 0.00 66.02 63.20 2dkx s SER 72 CO 0.61 -0.37 1.29 1.55 1.20 0.00 0.00 173.24 177.52 2dkx h PRO 73 N 7.67 0.12 0.00 5.44 0.13 -1.83 0.32 132.00 143.85 2dkx h PRO 73 Ca -0.09 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2dkx h PRO 73 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2dkx h PRO 73 CO 0.48 0.57 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.75 2dkx h LEU 74 N -0.33 0.00 0.00 1.56 3.38 -1.94 -3.41 115.31 114.57 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 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2dkx h LEU 74 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2dkx n GLY 75 N -0.73 0.48 5.68 0.83 0.00 -1.15 -4.90 105.19 105.39 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 3.87 0.37 0.32 -0.02 0.00 0.11 -2.18 105.19 107.67 2dkx n GLY 76 Ca 0.00 0.23 0.30 0.00 0.00 0.00 0.00 46.02 46.55 2dkx n GLY 76 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2dkx h ASP 77 N 0.00 0.29 -0.10 1.61 3.04 -1.80 0.28 116.42 119.74 2dkx h ASP 77 Ca 0.00 0.25 0.04 0.00 -3.24 0.00 0.00 57.03 54.09 2dkx h ASP 77 Cb 0.00 0.27 -0.06 0.00 -1.04 0.00 0.00 39.33 38.50 2dkx h ASP 77 CO 0.00 -0.39 -0.31 0.58 -2.04 0.00 0.00 179.24 177.08 2dkx h VAL 78 N 0.04 0.31 0.38 4.15 2.07 -1.81 0.17 116.25 121.57 2dkx h VAL 78 Ca 0.82 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.32 2dkx h VAL 78 Cb 2.10 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2dkx h VAL 78 CO -0.76 0.00 -0.31 -0.07 0.02 0.00 0.00 177.57 176.45 2dkx h LEU 79 N -0.40 -0.82 -1.54 2.57 3.38 -0.72 0.27 115.31 118.05 2dkx h LEU 79 Ca 0.09 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.27 2dkx h LEU 79 Cb 0.53 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2dkx h LEU 79 CO -0.32 -0.43 0.72 -0.74 0.09 0.00 0.00 178.44 177.75 2dkx h HIS 80 N -0.67 0.00 0.00 1.13 2.76 -1.38 0.46 115.15 117.45 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 0.56 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2dkx h HIS 80 CO -0.12 0.00 -0.04 0.00 -1.30 0.00 0.00 177.93 176.47 2dkx h ALA 81 N 1.05 0.00 -0.14 5.26 0.00 0.12 -2.99 119.26 122.55 2dkx h ALA 81 Ca 0.25 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2dkx h ALA 81 Cb 1.68 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 2dkx h ALA 81 CO -0.00 0.04 0.27 1.25 0.00 0.00 0.00 179.25 180.81 2dkx h HIS 82 N -0.26 0.00 0.03 0.00 6.17 0.03 -0.57 115.15 120.55 2dkx h HIS 82 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 60.37 60.90 2dkx h HIS 82 Cb 0.04 0.00 0.02 0.00 2.52 0.00 0.00 27.41 29.99 2dkx h HIS 82 CO -0.02 0.00 -0.72 1.25 0.71 0.00 0.00 177.93 179.16 2dkx h LEU 83 N 0.00 0.58 -0.98 0.26 5.85 -0.25 -3.29 115.31 117.49 2dkx h LEU 83 Ca 0.07 -0.79 0.33 0.00 0.84 0.00 0.00 57.88 58.33 2dkx h LEU 83 Cb 0.61 -0.18 -0.17 0.00 0.37 0.00 0.00 40.66 41.29 2dkx h LEU 83 CO -0.00 1.30 0.32 -0.78 -0.34 0.00 0.00 178.44 178.94 2dkx h ASP 84 N -0.07 0.02 -0.83 1.25 1.82 -0.93 0.92 116.42 118.60 2dkx h ASP 84 Ca -0.10 0.25 0.07 0.00 -0.39 0.00 0.00 57.03 56.86 2dkx h ASP 84 Cb 1.44 0.33 -0.06 0.00 0.68 0.00 0.00 39.33 41.71 2dkx h ASP 84 CO 0.14 -0.33 0.50 0.40 -1.61 0.00 0.00 179.24 178.34 2dkx h ILE 85 N 0.08 1.01 0.12 2.25 5.03 -1.62 0.11 117.51 124.48 2dkx h ILE 85 Ca 0.71 -0.31 -0.01 0.00 -0.12 0.00 0.00 64.86 65.13 2dkx h ILE 85 Cb 1.66 0.03 0.00 0.00 -3.03 0.00 0.00 36.82 35.48 2dkx h ILE 85 CO -0.78 0.17 -0.06 -0.50 -0.68 0.00 0.00 178.15 176.30 2dkx h TRP 86 N 0.91 -0.14 -1.00 1.37 4.06 0.68 -2.38 115.95 119.44 2dkx h TRP 86 Ca 0.37 -0.00 0.33 0.00 2.06 0.00 0.00 58.89 61.64 2dkx h TRP 86 Cb 0.20 0.05 -0.15 0.00 -1.00 0.00 0.00 29.16 28.26 2dkx h TRP 86 CO -0.04 -0.09 0.56 1.57 -3.56 0.00 0.00 178.44 176.87 2dkx h LYS 87 N -0.30 0.29 -0.61 0.49 2.10 -1.29 0.73 116.57 117.96 2dkx h LYS 87 Ca -0.02 -0.02 -0.06 0.00 -2.00 0.00 0.00 60.65 58.56 2dkx h LYS 87 Cb 0.12 -0.06 -0.03 0.00 -0.90 0.00 0.00 32.23 31.36 2dkx h LYS 87 CO 0.03 0.19 0.15 1.03 -2.00 0.00 0.00 179.45 178.84 2dkx h SER 88 N 0.29 0.93 1.67 7.07 0.87 -0.85 -0.45 113.55 123.09 2dkx h SER 88 Ca 0.74 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 2dkx h SER 88 Cb 1.70 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 2dkx h SER 88 CO -0.62 0.92 0.00 0.00 -0.53 0.00 0.00 176.83 176.60 2dkx h ALA 89 N 1.04 1.00 0.00 6.23 0.00 0.78 -3.07 119.26 125.25 2dkx h ALA 89 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2dkx h ALA 89 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2dkx h ALA 89 CO 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 179.25 178.55 2dkx h ALA 90 N 2.03 0.62 -0.40 0.00 0.00 0.14 -3.34 119.26 118.31 2dkx h ALA 90 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 2dkx h ALA 90 Cb 0.84 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 2dkx h ALA 90 CO 0.00 0.00 0.33 0.45 0.00 0.00 0.00 179.25 180.03 2dkx n SER 91 N -2.61 5.35 -4.24 0.00 2.88 -0.22 -4.87 113.62 109.90 2dkx n SER 91 Ca 0.02 -2.87 -0.15 0.00 -1.33 0.00 0.00 58.87 54.54 2dkx n SER 91 Cb 0.52 -0.93 -0.10 0.00 -0.75 0.00 0.00 64.21 62.94 2dkx n SER 91 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dkx s GLY 92 N 0.33 1.04 1.04 0.46 0.00 -1.25 -5.05 107.32 103.90 2dkx s GLY 92 Ca 0.25 -1.40 -0.13 0.00 0.00 0.00 0.00 44.72 43.43 2dkx s GLY 92 CO 0.01 -1.49 1.10 2.56 0.00 0.00 0.00 173.10 175.28 2dkx s PRO 93 N -3.35 0.08 -1.00 2.90 0.04 -1.26 -4.96 135.00 127.45 2dkx s PRO 93 Ca 0.13 0.40 -0.17 0.00 0.04 0.00 0.00 61.00 61.41 2dkx s PRO 93 Cb -0.00 -1.71 0.16 0.00 0.04 0.00 0.00 34.50 32.99 2dkx s PRO 93 CO 0.01 -2.94 1.17 0.45 0.04 0.00 0.00 177.00 175.73 2dkx s SER 94 N -3.52 6.79 -1.61 6.66 0.15 -1.26 -4.48 113.70 116.43 2dkx s SER 94 Ca 0.66 -2.43 -0.15 0.00 0.70 0.00 0.00 55.95 54.74 2dkx s SER 94 Cb -0.17 -2.37 0.12 0.00 -1.71 0.00 0.00 66.02 61.88 2dkx s SER 94 CO 0.57 -0.89 0.81 -1.20 1.20 0.00 0.00 173.24 173.73 2dkx n SER 95 N 5.87 -3.40 -0.21 5.45 7.64 -1.26 -5.33 113.62 122.39 2dkx n SER 95 Ca 0.26 -0.94 0.15 0.00 1.01 0.00 0.00 58.87 59.36 2dkx n SER 95 Cb 0.47 -3.16 0.77 0.00 -1.01 0.00 0.00 64.21 61.28 2dkx n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64