#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 -0.73 -0.05 1.61 7.64 -1.26 -3.21 113.62 117.62 2dkx n SER 2 Ca 0.00 1.34 -0.04 0.00 1.01 0.00 0.00 58.87 61.18 2dkx n SER 2 Cb 0.00 -0.20 -0.01 0.00 -1.01 0.00 0.00 64.21 62.99 2dkx n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dkx n SER 3 N -4.98 1.34 0.00 6.43 2.88 -1.26 -5.12 113.62 112.91 2dkx n SER 3 Ca 0.03 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 2dkx n SER 3 Cb 0.22 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 2dkx n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkx n GLY 4 N 1.64 -0.71 3.41 0.46 0.00 -1.20 -5.10 105.19 103.69 2dkx n GLY 4 Ca -0.06 -1.65 -0.16 0.00 0.00 0.00 0.00 46.02 44.15 2dkx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkx s SER 5 N -2.72 1.10 -0.88 1.61 0.01 -1.26 -4.91 113.70 106.65 2dkx s SER 5 Ca 0.00 -1.56 -0.01 0.00 1.31 0.00 0.00 55.95 55.69 2dkx s SER 5 Cb 0.00 0.61 0.22 0.00 0.21 0.00 0.00 66.02 67.06 2dkx s SER 5 CO 0.00 -1.20 0.76 -0.55 0.41 0.00 0.00 173.24 172.66 2dkx s SER 6 N -3.27 5.93 0.00 2.44 0.15 -1.26 -4.77 113.70 112.93 2dkx s SER 6 Ca 0.34 -3.71 0.00 0.00 0.70 0.00 0.00 55.95 53.28 2dkx s SER 6 Cb 0.01 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 2dkx s SER 6 CO 0.22 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2dkx n GLY 7 N 2.34 -1.03 0.04 9.45 0.00 -1.26 -4.88 105.19 109.85 2dkx n GLY 7 Ca 0.21 0.23 0.03 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.42 0.13 -0.05 0.99 -0.00 -1.26 -2.34 117.00 112.05 2dkx n LEU 8 Ca 0.00 0.53 0.25 0.00 -0.00 0.00 0.00 56.01 56.79 2dkx n LEU 8 Cb 0.00 -0.55 0.67 0.00 -0.00 0.00 0.00 43.42 43.54 2dkx n LEU 8 CO 0.00 -0.58 1.22 0.11 -0.00 0.00 0.00 177.39 178.14 2dkx h LYS 9 N 0.00 0.00 0.00 1.47 1.79 -1.90 0.75 116.57 118.69 2dkx h LYS 9 Ca 0.00 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.20 2dkx h LYS 9 Cb 0.07 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.68 2dkx h LYS 9 CO 0.00 0.00 -1.60 -0.44 -1.08 0.00 0.00 179.45 176.33 2dkx h ASP 10 N 0.00 0.00 -0.01 0.86 5.19 -1.88 -3.35 116.42 117.23 2dkx h ASP 10 Ca 0.33 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.74 2dkx h ASP 10 Cb 1.74 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 41.25 2dkx h ASP 10 CO -0.00 0.94 0.00 0.40 -3.12 0.00 0.00 179.24 177.46 2dkx h ILE 11 N 0.00 1.03 -0.79 0.35 2.04 0.32 -2.51 117.51 117.95 2dkx h ILE 11 Ca -0.25 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 65.64 2dkx h ILE 11 Cb 1.93 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 39.02 2dkx h ILE 11 CO 0.08 0.02 0.52 1.05 0.00 0.00 0.00 178.15 179.82 2dkx h GLU 12 N -0.02 0.66 -0.25 2.37 4.11 -1.62 0.24 114.58 120.07 2dkx h GLU 12 Ca 0.00 -0.04 0.07 0.00 0.07 0.00 0.00 59.36 59.47 2dkx h GLU 12 Cb 0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2dkx h GLU 12 CO -0.00 0.44 0.18 1.15 0.07 0.00 0.00 179.01 180.85 2dkx h THR 13 N 0.68 0.86 0.00 -1.06 2.02 -1.58 0.14 112.91 113.97 2dkx h THR 13 Ca 0.37 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.55 2dkx h THR 13 Cb 0.51 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2dkx h THR 13 CO -0.14 0.00 -0.72 0.00 0.37 0.00 0.00 175.52 175.02 2dkx n ALA 14 N -2.58 3.58 0.91 6.16 0.00 0.02 -3.84 120.51 124.76 2dkx n ALA 14 Ca 0.03 -0.38 0.11 0.00 0.00 0.00 0.00 53.44 53.20 2dkx n ALA 14 Cb 0.34 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.17 0.00 0.00 1.57 -1.20 0.16 116.57 116.94 2dkx h LYS 16 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2dkx h LYS 16 Cb 0.55 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2dkx h LYS 16 CO 0.00 0.24 0.00 1.47 -0.57 0.00 0.00 179.45 180.59 2dkx n LEU 17 N -4.96 0.00 -0.00 2.94 -0.00 -1.26 -2.95 117.00 110.77 2dkx n LEU 17 Ca -0.09 0.44 0.11 0.00 -0.00 0.00 0.00 56.01 56.47 2dkx n LEU 17 Cb 0.25 -0.44 -0.15 0.00 -0.00 0.00 0.00 43.42 43.08 2dkx n LEU 17 CO 0.31 -0.03 -0.61 0.18 -0.00 0.00 0.00 177.39 177.23 2dkx n LEU 18 N -1.44 0.19 -3.76 1.47 4.77 -1.17 -4.99 117.00 112.07 2dkx n LEU 18 Ca 0.08 -0.07 -0.26 0.00 -0.03 0.00 0.00 56.01 55.73 2dkx n LEU 18 Cb 0.29 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.42 2dkx n LEU 18 CO 0.24 0.03 0.13 -3.20 -1.33 0.00 0.00 177.39 173.26 2dkx n ASN 19 N -2.15 -4.65 -4.28 -1.43 5.15 0.55 -4.98 115.26 103.46 2dkx n ASN 19 Ca -0.03 -0.70 -0.28 0.00 -0.60 0.00 0.00 54.58 52.97 2dkx n ASN 19 Cb 0.53 -4.35 -0.06 0.00 -0.53 0.00 0.00 39.78 35.37 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 -4.70 0.00 -3.38 -1.44 -5.35 -1.10 -5.07 119.36 98.32 2dkx n ILE 20 Ca -0.03 -2.14 -0.38 0.00 -0.27 0.00 0.00 62.75 59.94 2dkx n ILE 20 Cb 0.57 0.47 -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 -2.67 5.19 0.55 7.28 -1.32 -1.26 -4.85 115.64 118.56 2dkx s THR 21 Ca 0.02 0.86 0.38 0.00 -1.21 0.00 0.00 61.69 61.75 2dkx s THR 21 Cb 0.00 -3.77 0.57 0.00 -1.51 0.00 0.00 72.50 67.79 2dkx s THR 21 CO 0.02 0.37 1.75 0.00 -2.21 0.00 0.00 174.62 174.55 2dkx h ALA 22 N 6.48 3.19 -2.07 11.08 0.00 -1.95 -3.38 119.26 132.62 2dkx h ALA 22 Ca -0.42 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 53.87 2dkx h ALA 22 Cb 1.18 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 2dkx h ALA 22 CO 0.74 -1.60 0.83 0.34 0.00 0.00 0.00 179.25 179.57 2dkx s ASP 23 N -4.89 7.03 0.30 0.00 -1.08 -1.26 -4.85 116.67 111.92 2dkx s ASP 23 Ca -0.05 1.39 0.08 0.00 -0.52 0.00 0.00 52.55 53.46 2dkx s ASP 23 Cb 0.23 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.61 2dkx s ASP 23 CO 0.79 -0.73 1.69 1.55 0.52 0.00 0.00 175.17 178.99 2dkx h PRO 24 N 7.76 0.14 0.00 4.34 0.13 -1.86 -2.59 132.00 139.92 2dkx h PRO 24 Ca -0.21 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2dkx h PRO 24 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2dkx h PRO 24 CO 0.99 0.58 0.00 -1.33 -0.23 0.00 0.00 178.00 178.01 2dkx n MET 25 N -3.97 0.29 0.00 0.86 2.81 -1.26 -2.20 117.12 113.65 2dkx n MET 25 Ca -0.02 0.09 0.07 0.00 -1.81 0.00 0.00 57.70 56.04 2dkx n MET 25 Cb 0.51 -1.50 -0.08 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 0.83 -4.48 7.83 8.00 -0.98 -2.84 116.55 123.63 2dkx n ASP 26 Ca 0.10 -0.92 -0.45 0.00 0.71 0.00 0.00 54.79 54.23 2dkx n ASP 26 Cb 0.16 0.94 -0.09 0.00 -0.02 0.00 0.00 41.12 42.11 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 -1.21 1.21 -3.48 1.24 8.01 -0.93 -4.85 117.44 117.42 2dkx n TRP 27 Ca 0.03 0.30 -0.11 0.00 -1.31 0.00 0.00 57.50 56.42 2dkx n TRP 27 Cb 0.25 -2.50 -0.03 0.00 -2.01 0.00 0.00 31.31 27.03 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 9.05 -0.46 0.12 -0.99 1.04 -1.26 -1.19 113.70 120.01 2dkx s SER 28 Ca 1.15 0.11 -0.13 0.00 0.48 0.00 0.00 55.95 57.56 2dkx s SER 28 Cb -0.84 0.46 -0.06 0.00 0.10 0.00 0.00 66.02 65.68 2dkx s SER 28 CO 0.44 -0.71 1.45 1.55 0.98 0.00 0.00 173.24 176.96 2dkx h PRO 29 N 2.15 0.84 -0.44 4.02 0.13 -2.03 -3.38 132.00 133.29 2dkx h PRO 29 Ca -0.26 -0.44 -0.32 0.00 -0.87 0.00 0.00 66.00 64.10 2dkx h PRO 29 Cb 1.25 0.01 -0.33 0.00 0.13 0.00 0.00 31.00 32.06 2dkx h PRO 29 CO 0.34 1.08 -0.85 -1.13 -0.23 0.00 0.00 178.00 177.21 2dkx n SER 30 N -4.15 3.06 0.23 1.44 3.41 -1.26 -4.81 113.62 111.55 2dkx n SER 30 Ca -0.03 -3.19 0.06 0.00 -0.26 0.00 0.00 58.87 55.45 2dkx n SER 30 Cb 0.51 -0.41 0.54 0.00 -0.26 0.00 0.00 64.21 64.60 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 1.91 0.00 -0.77 4.04 4.21 -1.77 -2.83 115.58 120.38 2dkx h ASN 31 Ca 0.11 0.00 0.18 0.00 1.21 0.00 0.00 56.30 57.80 2dkx h ASN 31 Cb 1.40 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 38.47 2dkx h ASN 31 CO 0.40 0.13 0.06 0.58 -1.29 0.00 0.00 177.43 177.30 2dkx h VAL 32 N 0.00 0.35 -1.01 2.81 2.07 -1.87 0.30 116.25 118.90 2dkx h VAL 32 Ca -0.00 -0.05 0.26 0.00 0.82 0.00 0.00 66.70 67.73 2dkx h VAL 32 Cb 0.22 0.21 -0.12 0.00 -1.52 0.00 0.00 31.29 30.08 2dkx h VAL 32 CO 0.02 0.02 0.60 1.56 0.02 0.00 0.00 177.57 179.79 2dkx h GLN 33 N 0.13 0.52 0.01 1.57 1.08 -1.86 0.36 115.11 116.93 2dkx h GLN 33 Ca 0.43 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.60 2dkx h GLN 33 Cb 0.78 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 2dkx h GLN 33 CO -0.65 0.35 -0.01 0.87 -0.95 0.00 0.00 178.83 178.44 2dkx h LYS 34 N 0.54 -0.02 0.00 1.46 1.57 -0.58 -1.01 116.57 118.53 2dkx h LYS 34 Ca 0.65 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 2dkx h LYS 34 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2dkx h LYS 34 CO -0.48 0.15 0.00 2.35 -0.57 0.00 0.00 179.45 180.91 2dkx h TRP 35 N -0.18 0.00 0.00 -1.35 7.01 -0.83 -2.41 115.95 118.19 2dkx h TRP 35 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2dkx h TRP 35 Cb 0.18 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 2dkx h TRP 35 CO -0.02 0.00 -0.02 -0.07 -2.79 0.00 0.00 178.44 175.54 2dkx h LEU 36 N 0.00 0.00 -1.36 0.65 3.38 -0.50 -3.30 115.31 114.18 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 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2dkx h LEU 36 CO 0.00 0.07 0.51 0.17 0.09 0.00 0.00 178.44 179.28 2dkx h LEU 37 N -0.12 0.00 0.00 1.67 8.10 -1.23 0.25 115.31 123.99 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 0.00 0.00 0.00 1.87 -4.11 0.00 0.00 178.44 176.20 2dkx n TRP 38 N -2.70 0.00 0.09 0.17 -0.00 -0.91 -3.22 117.44 110.87 2dkx n TRP 38 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.47 2dkx n TRP 38 Cb 0.54 -0.35 0.23 0.00 -0.00 0.00 0.00 31.31 31.73 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 -0.58 5.87 2.02 -1.53 -2.79 112.91 117.20 2dkx h THR 39 Ca 0.00 -1.44 0.17 0.00 0.77 0.00 0.00 66.41 65.91 2dkx h THR 39 Cb 0.00 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2dkx h THR 39 CO 0.00 0.43 0.52 -0.08 0.37 0.00 0.00 175.52 176.77 2dkx h GLU 40 N 0.23 0.00 0.00 6.66 4.81 -0.64 0.82 114.58 126.45 2dkx h GLU 40 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2dkx h GLU 40 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2dkx h GLU 40 CO 0.06 0.00 -0.98 1.58 -0.73 0.00 0.00 179.01 178.94 2dkx n HIS 41 N -3.92 0.39 0.59 0.92 -0.00 -1.06 -0.26 115.22 111.88 2dkx n HIS 41 Ca 0.11 0.11 0.11 0.00 0.46 0.00 0.00 57.72 58.52 2dkx n HIS 41 Cb 0.75 -0.54 0.05 0.00 -0.12 0.00 0.00 29.99 30.13 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 -2.08 0.28 0.00 1.57 6.02 0.26 -4.11 117.38 119.32 2dkx n GLN 42 Ca 0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2dkx n GLN 42 Cb 0.45 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.11 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 -1.96 0.00 -3.47 1.08 4.02 0.39 -5.02 117.16 112.21 2dkx n TYR 43 Ca 0.02 -0.09 -0.18 0.00 -0.01 0.00 0.00 57.90 57.64 2dkx n TYR 43 Cb 0.43 -0.01 0.08 0.00 -0.02 0.00 0.00 39.34 39.83 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 -0.09 -6.54 -3.56 -0.72 5.12 -0.94 -5.00 116.66 104.93 2dkx n ARG 44 Ca 0.00 0.83 -0.26 0.00 -1.93 0.00 0.00 57.85 56.48 2dkx n ARG 44 Cb 0.07 -5.80 -0.03 0.00 -1.16 0.00 0.00 32.46 25.54 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 -6.45 4.14 1.02 0.55 1.43 0.64 -5.03 118.68 114.99 2dkx s LEU 45 Ca 0.04 0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 53.46 2dkx s LEU 45 Cb -0.02 -3.26 0.20 0.00 0.03 0.00 0.00 46.19 43.15 2dkx s LEU 45 CO 0.74 -0.14 1.09 -2.16 0.23 0.00 0.00 176.35 176.11 2dkx s PRO 46 N -3.69 0.22 -0.68 1.29 0.04 -1.26 -4.78 135.00 126.14 2dkx s PRO 46 Ca 0.40 0.45 -0.26 0.00 0.04 0.00 0.00 61.00 61.63 2dkx s PRO 46 Cb -0.10 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 2dkx s PRO 46 CO 0.31 -2.86 1.88 -1.25 0.04 0.00 0.00 177.00 175.13 2dkx s PRO 47 N -4.99 2.60 0.02 0.56 0.04 -1.26 -4.78 135.00 127.19 2dkx s PRO 47 Ca 0.66 0.40 0.16 0.00 0.04 0.00 0.00 61.00 62.25 2dkx s PRO 47 Cb -0.18 -4.55 -0.17 0.00 0.04 0.00 0.00 34.50 29.63 2dkx s PRO 47 CO 0.58 -2.89 0.72 -1.33 0.04 0.00 0.00 177.00 174.12 2dkx n MET 48 N 9.11 0.63 -0.33 4.56 2.81 -1.26 -4.23 117.12 128.41 2dkx n MET 48 Ca 0.25 0.21 0.26 0.00 -1.81 0.00 0.00 57.70 56.62 2dkx n MET 48 Cb 0.51 -1.78 0.50 0.00 -0.71 0.00 0.00 33.22 31.74 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 3.69 2.02 1.72 3.03 0.00 -1.94 1.66 103.07 113.26 2dkx h GLY 49 Ca -0.21 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 2dkx h GLY 49 CO 0.05 -0.67 -0.25 1.70 0.00 0.00 0.00 176.54 177.37 2dkx h LYS 50 N 0.08 0.33 0.00 4.80 3.64 -1.99 0.53 116.57 123.96 2dkx h LYS 50 Ca 0.77 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 60.03 2dkx h LYS 50 Cb 1.90 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 2dkx h LYS 50 CO -0.75 0.56 -0.50 0.00 -2.27 0.00 0.00 179.45 176.49 2dkx n ALA 51 N -2.48 2.94 0.17 5.00 0.00 0.52 -3.67 120.51 122.99 2dkx n ALA 51 Ca -0.01 -0.23 0.05 0.00 0.00 0.00 0.00 53.44 53.25 2dkx n ALA 51 Cb 0.38 -1.21 0.08 0.00 0.00 0.00 0.00 19.45 18.69 2dkx n ALA 51 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2dkx n PHE 52 N -1.97 0.17 -0.35 0.00 3.01 0.15 -4.63 117.46 113.84 2dkx n PHE 52 Ca 0.04 -0.21 0.12 0.00 1.01 0.00 0.00 57.45 58.42 2dkx n PHE 52 Cb 0.41 -0.01 0.31 0.00 -0.01 0.00 0.00 39.48 40.18 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 1.83 0.77 0.00 -1.08 4.20 -0.03 0.33 115.11 121.13 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 0.52 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2dkx h GLN 53 CO 0.00 0.51 -0.19 1.05 -0.67 0.00 0.00 178.83 179.53 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 0.56 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 59.55 2dkx h GLU 54 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2dkx h GLU 54 CO -0.36 0.00 0.35 -0.51 0.07 0.00 0.00 179.01 178.56 2dkx s LEU 55 N -5.58 3.89 0.30 3.06 1.43 0.12 -5.08 118.68 116.82 2dkx s LEU 55 Ca 0.07 1.71 0.02 0.00 -1.03 0.00 0.00 54.13 54.90 2dkx s LEU 55 Cb 0.08 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.71 2dkx s LEU 55 CO 0.67 -0.44 0.09 0.00 0.23 0.00 0.00 176.35 176.91 2dkx s ALA 56 N -2.20 2.05 0.18 4.21 0.00 -1.26 -4.90 121.76 119.83 2dkx s ALA 56 Ca 0.62 -1.87 -0.26 0.00 0.00 0.00 0.00 51.96 50.45 2dkx s ALA 56 Cb -0.10 0.91 0.03 0.00 0.00 0.00 0.00 23.12 23.97 2dkx s ALA 56 CO 0.16 -0.41 1.55 0.78 0.00 0.00 0.00 175.76 177.84 2dkx h GLY 57 N 2.23 -0.52 0.32 0.00 0.00 -1.28 0.13 103.07 103.96 2dkx h GLY 57 Ca -0.38 0.66 0.02 0.00 0.00 0.00 0.00 47.33 47.62 2dkx h GLY 57 CO 0.62 -0.09 -0.42 0.07 0.00 0.00 0.00 176.54 176.73 2dkx h LYS 58 N -0.10 -0.65 -0.23 4.80 2.10 -1.65 -2.48 116.57 118.36 2dkx h LYS 58 Ca 0.20 0.04 0.03 0.00 -2.00 0.00 0.00 60.65 58.93 2dkx h LYS 58 Cb 0.52 0.15 -0.05 0.00 -0.90 0.00 0.00 32.23 31.94 2dkx h LYS 58 CO -0.85 -0.43 -0.38 0.93 -2.00 0.00 0.00 179.45 176.72 2dkx h GLU 59 N -0.67 -0.29 -0.95 0.07 4.39 -1.60 0.56 114.58 116.08 2dkx h GLU 59 Ca 0.01 0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.86 2dkx h GLU 59 Cb 0.69 0.07 -0.14 0.00 -0.10 0.00 0.00 28.75 29.26 2dkx h GLU 59 CO -0.22 -0.20 -0.43 1.28 -1.16 0.00 0.00 179.01 178.29 2dkx n LEU 60 N -4.52 -0.73 0.23 1.33 4.32 -0.08 0.22 117.00 117.77 2dkx n LEU 60 Ca -0.03 1.66 0.10 0.00 -0.02 0.00 0.00 56.01 57.72 2dkx n LEU 60 Cb 0.24 -0.33 0.56 0.00 -1.62 0.00 0.00 43.42 42.27 2dkx n LEU 60 CO 0.02 -1.45 0.86 0.00 -1.22 0.00 0.00 177.39 175.60 2dkx n ALA 62 N -2.31 2.88 -1.96 0.00 0.00 0.60 -4.88 120.51 114.84 2dkx n ALA 62 Ca -0.01 -0.21 -0.20 0.00 0.00 0.00 0.00 53.44 53.02 2dkx n ALA 62 Cb 0.33 -1.29 0.17 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.71 -1.00 -4.25 0.00 2.00 0.39 -5.01 117.12 107.53 2dkx n MET 63 Ca 0.06 -1.98 -0.20 0.00 0.00 0.00 0.00 57.70 55.58 2dkx n MET 63 Cb 0.37 -1.14 -0.12 0.00 0.00 0.00 0.00 33.22 32.32 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 -5.32 1.89 0.15 7.83 0.01 -1.26 -5.01 113.70 111.99 2dkx s SER 64 Ca 0.67 -0.59 -0.16 0.00 1.31 0.00 0.00 55.95 57.18 2dkx s SER 64 Cb -0.02 -0.09 0.10 0.00 0.21 0.00 0.00 66.02 66.23 2dkx s SER 64 CO 0.47 -0.02 1.11 1.21 0.41 0.00 0.00 173.24 176.43 2dkx n GLU 65 N 1.39 -0.22 -0.32 12.44 2.13 -1.26 0.23 120.64 135.04 2dkx n GLU 65 Ca -0.20 1.10 0.07 0.00 0.66 0.00 0.00 57.16 58.79 2dkx n GLU 65 Cb 0.54 -1.63 0.22 0.00 0.27 0.00 0.00 31.44 30.84 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 0.78 -0.58 5.31 4.81 -1.97 -1.11 114.58 121.82 2dkx h GLU 66 Ca 0.21 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2dkx h GLU 66 Cb 0.39 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 2dkx h GLU 66 CO -0.70 0.52 0.35 1.96 -0.73 0.00 0.00 179.01 180.40 2dkx h GLN 67 N 0.80 0.66 0.00 1.92 1.08 0.26 -0.07 115.11 119.76 2dkx h GLN 67 Ca 0.47 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.60 2dkx h GLN 67 Cb 0.55 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2dkx h GLN 67 CO -0.30 0.44 -0.14 0.74 -0.95 0.00 0.00 178.83 178.62 2dkx h PHE 68 N 0.68 0.00 0.00 2.96 -1.00 -0.26 -1.60 116.94 117.71 2dkx h PHE 68 Ca 0.24 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.99 2dkx h PHE 68 Cb 0.05 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.60 2dkx h PHE 68 CO -0.06 0.14 -0.52 0.00 -1.61 0.00 0.00 178.31 176.25 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.62 -1.91 114.38 116.44 2dkx h ARG 69 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 2dkx h ARG 69 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2dkx h ARG 69 CO 0.02 0.10 -0.36 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 -0.03 -3.17 115.11 113.03 2dkx h GLN 70 Ca -0.02 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.01 2dkx h GLN 70 Cb 1.11 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.51 2dkx h GLN 70 CO 0.01 0.36 -1.96 2.89 -0.95 0.00 0.00 178.83 179.18 2dkx n ARG 71 N -3.76 1.09 -3.62 1.46 1.85 -1.19 -4.85 116.66 107.64 2dkx n ARG 71 Ca -0.01 -0.06 -0.29 0.00 -1.00 0.00 0.00 57.85 56.48 2dkx n ARG 71 Cb 0.44 -1.40 -0.14 0.00 -1.05 0.00 0.00 32.46 30.31 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 -4.56 3.59 -0.02 2.89 0.15 -0.72 -4.98 113.70 110.05 2dkx s SER 72 Ca -0.07 -1.92 -0.26 0.00 0.70 0.00 0.00 55.95 54.40 2dkx s SER 72 Cb 0.07 -0.69 -0.20 0.00 -1.71 0.00 0.00 66.02 63.49 2dkx s SER 72 CO 0.67 -0.36 1.26 1.55 1.20 0.00 0.00 173.24 177.55 2dkx h PRO 73 N 7.59 -0.01 0.00 5.44 0.13 -1.81 0.44 132.00 143.78 2dkx h PRO 73 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2dkx h PRO 73 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2dkx h PRO 73 CO 0.42 0.47 0.00 -0.07 -0.23 0.00 0.00 178.00 178.59 2dkx h LEU 74 N -0.50 0.00 0.00 1.56 3.38 -1.95 -3.40 115.31 114.40 2dkx h LEU 74 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2dkx n GLY 75 N -0.88 0.42 5.76 0.83 0.00 -1.15 -4.89 105.19 105.30 2dkx n GLY 75 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2dkx n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkx n GLY 76 N 3.33 0.37 0.35 -0.02 0.00 0.15 -2.58 105.19 106.81 2dkx n GLY 76 Ca 0.00 0.37 0.03 0.00 0.00 0.00 0.00 46.02 46.42 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 2.29 -0.45 -0.30 1.61 2.03 -1.26 0.60 116.55 121.07 2dkx n ASP 77 Ca 0.00 1.64 0.09 0.00 0.52 0.00 0.00 54.79 57.04 2dkx n ASP 77 Cb 0.00 -0.45 0.21 0.00 -0.72 0.00 0.00 41.12 40.16 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 0.19 0.42 5.18 3.04 -1.88 0.75 116.25 123.95 2dkx h VAL 78 Ca 0.41 -0.02 -0.02 0.00 -1.01 0.00 0.00 66.70 66.05 2dkx h VAL 78 Cb 0.64 0.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 2dkx h VAL 78 CO -0.96 0.01 -0.20 -0.07 -1.01 0.00 0.00 177.57 175.34 2dkx h LEU 79 N 0.06 -0.48 -1.87 3.16 3.38 -0.11 0.26 115.31 119.71 2dkx h LEU 79 Ca 0.49 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.58 2dkx h LEU 79 Cb 0.91 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2dkx h LEU 79 CO -0.80 -0.29 0.49 -0.74 0.09 0.00 0.00 178.44 177.19 2dkx h HIS 80 N -0.67 0.00 0.00 1.13 2.76 -0.97 0.24 115.15 117.63 2dkx h HIS 80 Ca -0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 2dkx h HIS 80 Cb 0.44 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.40 2dkx h HIS 80 CO 0.09 0.00 -0.02 0.00 -1.30 0.00 0.00 177.93 176.70 2dkx h ALA 81 N 1.36 0.00 0.00 5.26 0.00 0.72 -2.84 119.26 123.75 2dkx h ALA 81 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2dkx h ALA 81 Cb 1.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2dkx h ALA 81 CO -0.00 0.02 0.08 1.58 0.00 0.00 0.00 179.25 180.92 2dkx n HIS 82 N -2.70 0.36 0.03 0.00 -0.00 0.88 -1.12 115.22 112.66 2dkx n HIS 82 Ca -0.00 0.19 -0.22 0.00 -0.00 0.00 0.00 57.72 57.69 2dkx n HIS 82 Cb 0.01 -0.74 -0.14 0.00 -0.00 0.00 0.00 29.99 29.12 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 0.46 -0.95 0.27 5.85 -0.65 -3.36 115.31 116.93 2dkx h LEU 83 Ca 0.00 -0.90 0.29 0.00 0.84 0.00 0.00 57.88 58.11 2dkx h LEU 83 Cb 0.16 -0.15 -0.16 0.00 0.37 0.00 0.00 40.66 40.88 2dkx h LEU 83 CO 0.00 1.74 0.33 -0.78 -0.34 0.00 0.00 178.44 179.39 2dkx h ASP 84 N -0.09 0.09 -0.82 1.25 1.82 -0.86 0.91 116.42 118.72 2dkx h ASP 84 Ca -0.35 0.22 0.08 0.00 -0.39 0.00 0.00 57.03 56.59 2dkx h ASP 84 Cb 1.93 0.27 -0.06 0.00 0.68 0.00 0.00 39.33 42.16 2dkx h ASP 84 CO 0.10 -0.23 0.54 0.40 -1.61 0.00 0.00 179.24 178.44 2dkx h ILE 85 N 0.17 0.99 0.11 2.25 5.03 -1.71 0.13 117.51 124.47 2dkx h ILE 85 Ca 0.65 -0.28 -0.01 0.00 -0.12 0.00 0.00 64.86 65.10 2dkx h ILE 85 Cb 1.44 0.09 0.00 0.00 -3.03 0.00 0.00 36.82 35.32 2dkx h ILE 85 CO -0.71 0.15 -0.05 -0.50 -0.68 0.00 0.00 178.15 176.36 2dkx h TRP 86 N 0.83 -0.13 -0.96 1.37 4.06 0.63 -2.87 115.95 118.88 2dkx h TRP 86 Ca 0.37 -0.00 0.27 0.00 2.06 0.00 0.00 58.89 61.58 2dkx h TRP 86 Cb 0.35 0.04 -0.14 0.00 -1.00 0.00 0.00 29.16 28.42 2dkx h TRP 86 CO -0.00 -0.08 0.48 1.57 -3.56 0.00 0.00 178.44 176.84 2dkx h LYS 87 N -0.43 0.37 -0.54 0.49 2.10 -1.28 0.52 116.57 117.81 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 0.11 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.33 2dkx h LYS 87 CO 0.02 0.24 0.35 1.03 -2.00 0.00 0.00 179.45 179.10 2dkx h SER 88 N 0.38 0.62 1.11 7.07 0.87 -0.85 0.50 113.55 123.25 2dkx h SER 88 Ca 0.64 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 61.08 2dkx h SER 88 Cb 1.34 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2dkx h SER 88 CO -0.57 0.46 -0.48 0.00 -0.53 0.00 0.00 176.83 175.72 2dkx h ALA 89 N 1.19 0.81 0.00 6.23 0.00 -0.25 -3.08 119.26 124.16 2dkx h ALA 89 Ca 0.20 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2dkx h ALA 89 Cb -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2dkx h ALA 89 CO -0.04 0.60 -0.41 0.00 0.00 0.00 0.00 179.25 179.40 2dkx h ALA 90 N 1.52 0.78 -0.98 0.00 0.00 0.45 -3.31 119.26 117.72 2dkx h ALA 90 Ca -0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 2dkx h ALA 90 Cb 1.16 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.67 2dkx h ALA 90 CO 0.06 0.00 0.85 0.45 0.00 0.00 0.00 179.25 180.61 2dkx n SER 91 N -2.73 7.32 -0.64 0.00 2.88 0.17 -5.04 113.62 115.57 2dkx n SER 91 Ca 0.03 -3.75 0.06 0.00 -1.33 0.00 0.00 58.87 53.88 2dkx n SER 91 Cb 0.51 -0.97 -0.02 0.00 -0.75 0.00 0.00 64.21 62.99 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 -0.90 -0.76 3.66 0.46 0.00 -1.25 -4.56 105.19 101.84 2dkx n GLY 92 Ca 0.62 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.05 0.08 -1.45 1.61 0.04 -1.26 -4.03 135.00 128.95 2dkx s PRO 93 Ca 0.00 0.41 -0.10 0.00 0.04 0.00 0.00 61.00 61.35 2dkx s PRO 93 Cb 0.00 -1.71 0.05 0.00 0.04 0.00 0.00 34.50 32.89 2dkx s PRO 93 CO 0.00 -2.94 0.94 0.45 0.04 0.00 0.00 177.00 175.49 2dkx n SER 94 N -4.30 -4.05 -2.40 6.66 2.88 -1.26 -4.88 113.62 106.26 2dkx n SER 94 Ca 0.06 -0.76 -0.34 0.00 -1.33 0.00 0.00 58.87 56.50 2dkx n SER 94 Cb 0.58 -4.10 0.06 0.00 -0.75 0.00 0.00 64.21 60.00 2dkx n SER 94 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dkx n SER 95 N -2.92 7.20 0.00 -3.46 3.41 -1.26 -5.18 113.62 111.42 2dkx n SER 95 Ca -0.05 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.77 2dkx n SER 95 Cb 0.57 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 2dkx n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49