#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkx h SER 2 N 0.00 0.00 0.04 1.61 0.87 -2.12 -3.41 113.55 110.54 2dkx h SER 2 Ca 0.00 -0.37 -0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2dkx h SER 2 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2dkx h SER 2 CO 0.00 1.28 -0.02 -1.28 -0.53 0.00 0.00 176.83 176.28 2dkx h SER 3 N -1.00 -0.04 0.00 6.23 0.87 -2.09 -3.49 113.55 114.03 2dkx h SER 3 Ca -0.25 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 2dkx h SER 3 Cb 1.08 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2dkx h SER 3 CO -0.15 0.65 0.00 0.61 -0.53 0.00 0.00 176.83 177.41 2dkx n GLY 4 N 0.85 2.42 3.64 5.77 0.00 -1.26 -5.02 105.19 111.60 2dkx n GLY 4 Ca -0.09 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 2dkx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkx s SER 5 N -3.33 -0.31 0.80 1.61 1.04 -1.26 -5.02 113.70 107.23 2dkx s SER 5 Ca 0.00 -0.26 -0.10 0.00 0.48 0.00 0.00 55.95 56.07 2dkx s SER 5 Cb 0.00 0.52 0.10 0.00 0.10 0.00 0.00 66.02 66.74 2dkx s SER 5 CO 0.00 -0.91 1.15 -0.44 0.98 0.00 0.00 173.24 174.02 2dkx s SER 6 N -2.77 4.29 0.00 7.02 0.01 -1.26 -4.76 113.70 116.22 2dkx s SER 6 Ca 0.08 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.84 2dkx s SER 6 Cb -0.02 -0.93 0.00 0.00 0.21 0.00 0.00 66.02 65.28 2dkx s SER 6 CO -0.03 -1.99 0.00 0.61 0.41 0.00 0.00 173.24 172.24 2dkx n GLY 7 N -3.26 0.96 1.04 3.44 0.00 -1.26 -4.81 105.19 101.30 2dkx n GLY 7 Ca 0.10 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 3.15 -0.19 0.99 -0.00 -1.26 -4.38 117.00 115.31 2dkx n LEU 8 Ca 0.00 -1.28 0.22 0.00 -0.00 0.00 0.00 56.01 54.95 2dkx n LEU 8 Cb 0.00 -0.18 0.60 0.00 -0.00 0.00 0.00 43.42 43.85 2dkx n LEU 8 CO 0.00 0.64 1.23 0.11 -0.00 0.00 0.00 177.39 179.37 2dkx h LYS 9 N 4.27 0.21 0.00 1.47 1.79 -1.87 0.41 116.57 122.85 2dkx h LYS 9 Ca 0.00 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 2dkx h LYS 9 Cb 0.93 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2dkx h LYS 9 CO 0.00 0.14 -0.88 -0.44 -1.08 0.00 0.00 179.45 177.19 2dkx h ASP 10 N 0.22 0.00 -0.08 0.86 5.19 -1.99 -3.36 116.42 117.26 2dkx h ASP 10 Ca 0.43 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.79 2dkx h ASP 10 Cb 1.32 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.83 2dkx h ASP 10 CO -0.10 0.09 -0.13 0.40 -3.12 0.00 0.00 179.24 176.39 2dkx h ILE 11 N 0.00 1.39 -0.77 0.35 2.04 -0.49 -3.22 117.51 116.80 2dkx h ILE 11 Ca -0.02 -1.37 0.11 0.00 1.00 0.00 0.00 64.86 64.58 2dkx h ILE 11 Cb 1.09 2.10 -0.08 0.00 -0.74 0.00 0.00 36.82 39.19 2dkx h ILE 11 CO 0.01 0.39 0.40 1.05 0.00 0.00 0.00 178.15 179.99 2dkx h GLU 12 N -0.22 0.62 -0.14 2.37 4.11 -1.44 0.15 114.58 120.04 2dkx h GLU 12 Ca 0.01 -0.04 0.04 0.00 0.07 0.00 0.00 59.36 59.44 2dkx h GLU 12 Cb 0.68 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2dkx h GLU 12 CO 0.03 0.41 0.17 1.15 0.07 0.00 0.00 179.01 180.84 2dkx h THR 13 N 0.64 0.42 0.00 -1.06 2.02 -1.69 0.29 112.91 113.53 2dkx h THR 13 Ca 0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.57 2dkx h THR 13 Cb 0.45 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2dkx h THR 13 CO -0.29 0.00 -0.76 0.00 0.37 0.00 0.00 175.52 174.84 2dkx n ALA 14 N -2.29 3.41 0.89 6.16 0.00 0.47 -3.84 120.51 125.31 2dkx n ALA 14 Ca 0.00 -0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.19 2dkx n ALA 14 Cb 0.28 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.21 -0.17 0.00 1.57 -1.30 0.45 116.57 116.91 2dkx h LYS 16 Ca 0.00 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 2dkx h LYS 16 Cb 0.56 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2dkx h LYS 16 CO 0.00 0.22 -0.49 1.37 -0.57 0.00 0.00 179.45 179.98 2dkx h LEU 17 N -0.85 0.49 0.00 2.94 -0.00 -1.77 -3.00 115.31 113.12 2dkx h LEU 17 Ca -0.02 -0.24 -0.10 0.00 -0.00 0.00 0.00 57.88 57.52 2dkx h LEU 17 Cb 0.53 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.03 2dkx h LEU 17 CO 0.04 0.90 -0.56 -0.07 -0.00 0.00 0.00 178.44 178.75 2dkx h LEU 18 N 0.36 0.00 0.75 0.17 3.38 -1.65 -3.47 115.31 114.84 2dkx h LEU 18 Ca 0.02 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.65 2dkx h LEU 18 Cb 0.99 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.79 2dkx h LEU 18 CO 0.09 0.47 -0.51 -3.20 0.09 0.00 0.00 178.44 175.38 2dkx n ASN 19 N -3.18 -5.38 -4.90 -0.43 2.85 0.15 -5.01 115.26 99.37 2dkx n ASN 19 Ca 0.01 -0.24 -0.26 0.00 -0.11 0.00 0.00 54.58 53.99 2dkx n ASN 19 Cb 0.73 -4.22 0.01 0.00 1.24 0.00 0.00 39.78 37.54 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 -4.31 0.00 -3.30 -1.44 -5.35 -0.98 -5.03 119.36 98.96 2dkx n ILE 20 Ca -0.10 -2.18 -0.38 0.00 -0.27 0.00 0.00 62.75 59.82 2dkx n ILE 20 Cb 0.60 -0.08 -0.06 0.00 -1.74 0.00 0.00 39.64 38.36 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 -2.76 5.08 0.61 7.28 -1.32 -1.26 -4.80 115.64 118.47 2dkx s THR 21 Ca 0.36 1.03 0.27 0.00 -1.21 0.00 0.00 61.69 62.14 2dkx s THR 21 Cb -0.03 -3.84 0.34 0.00 -1.51 0.00 0.00 72.50 67.46 2dkx s THR 21 CO 0.23 0.38 1.72 0.00 -2.21 0.00 0.00 174.62 174.74 2dkx h ALA 22 N 6.15 2.16 -2.26 11.08 0.00 -1.95 -3.38 119.26 131.05 2dkx h ALA 22 Ca -0.44 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 53.86 2dkx h ALA 22 Cb 1.19 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 2dkx h ALA 22 CO 0.72 -0.87 0.49 0.34 0.00 0.00 0.00 179.25 179.93 2dkx s ASP 23 N -4.55 6.83 0.28 0.00 -1.08 -1.26 -4.80 116.67 112.08 2dkx s ASP 23 Ca -0.03 1.01 0.06 0.00 -0.52 0.00 0.00 52.55 53.07 2dkx s ASP 23 Cb 0.13 -2.44 0.39 0.00 -1.46 0.00 0.00 42.92 39.54 2dkx s ASP 23 CO 0.44 -0.54 1.66 1.55 0.52 0.00 0.00 175.17 178.80 2dkx h PRO 24 N 7.72 0.25 0.00 4.34 0.13 -1.87 -2.63 132.00 139.95 2dkx h PRO 24 Ca -0.23 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2dkx h PRO 24 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2dkx h PRO 24 CO 0.88 0.66 0.00 -1.33 -0.23 0.00 0.00 178.00 177.99 2dkx n MET 25 N -3.98 0.23 0.00 0.86 2.81 -1.26 -1.83 117.12 113.95 2dkx n MET 25 Ca -0.02 0.13 0.06 0.00 -1.81 0.00 0.00 57.70 56.07 2dkx n MET 25 Cb 0.52 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.53 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 1.52 -4.51 7.83 9.92 -0.99 -3.11 116.55 125.92 2dkx n ASP 26 Ca 0.08 -1.26 -0.45 0.00 -0.53 0.00 0.00 54.79 52.62 2dkx n ASP 26 Cb 0.13 0.40 -0.06 0.00 -0.64 0.00 0.00 41.12 40.96 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 -0.05 1.63 -3.53 1.24 8.01 -0.76 -4.87 117.44 119.11 2dkx n TRP 27 Ca 0.06 0.13 -0.07 0.00 -1.31 0.00 0.00 57.50 56.30 2dkx n TRP 27 Cb 0.28 -2.60 -0.02 0.00 -2.01 0.00 0.00 31.31 26.96 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 8.51 -0.30 0.06 -0.99 0.01 -1.26 -1.21 113.70 118.52 2dkx s SER 28 Ca 1.07 -0.01 -0.18 0.00 1.31 0.00 0.00 55.95 58.13 2dkx s SER 28 Cb -0.61 0.33 -0.12 0.00 0.21 0.00 0.00 66.02 65.83 2dkx s SER 28 CO 0.41 -0.53 1.38 1.55 0.41 0.00 0.00 173.24 176.46 2dkx h PRO 29 N 2.00 0.50 -0.27 12.44 0.13 -2.03 -3.38 132.00 141.40 2dkx h PRO 29 Ca -0.19 -0.27 -0.20 0.00 -0.87 0.00 0.00 66.00 64.47 2dkx h PRO 29 Cb 1.22 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.18 2dkx h PRO 29 CO 0.29 0.85 -0.66 0.43 -0.23 0.00 0.00 178.00 178.67 2dkx n SER 30 N -4.43 2.75 -0.23 1.44 7.64 -1.26 -4.78 113.62 114.75 2dkx n SER 30 Ca -0.05 -3.68 0.01 0.00 1.01 0.00 0.00 58.87 56.15 2dkx n SER 30 Cb 0.41 -0.45 0.24 0.00 -1.01 0.00 0.00 64.21 63.39 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 1.45 0.89 -0.98 6.43 4.21 -1.79 -2.70 115.58 123.09 2dkx h ASN 31 Ca 0.11 -0.02 0.30 0.00 1.21 0.00 0.00 56.30 57.89 2dkx h ASN 31 Cb 1.24 -0.22 -0.18 0.00 -1.12 0.00 0.00 38.32 38.04 2dkx h ASN 31 CO 0.27 0.64 0.12 0.52 -1.29 0.00 0.00 177.43 177.69 2dkx n VAL 32 N -4.42 -0.41 -0.33 2.81 0.31 -1.26 0.14 118.33 115.17 2dkx n VAL 32 Ca 0.09 2.13 0.12 0.00 -0.01 0.00 0.00 64.34 66.66 2dkx n VAL 32 Cb 0.04 -3.17 0.30 0.00 -0.91 0.00 0.00 33.84 30.09 2dkx n VAL 32 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2dkx h GLN 33 N 0.00 0.62 0.14 5.55 1.08 -1.84 -0.15 115.11 120.50 2dkx h GLN 33 Ca 0.64 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.80 2dkx h GLN 33 Cb 1.42 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 2dkx h GLN 33 CO -0.89 0.41 -0.07 0.87 -0.95 0.00 0.00 178.83 178.20 2dkx h LYS 34 N 0.63 -0.18 0.00 1.46 1.57 0.11 -0.19 116.57 119.98 2dkx h LYS 34 Ca 0.55 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.34 2dkx h LYS 34 Cb 0.89 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 2dkx h LYS 34 CO -0.41 -0.05 -0.02 2.35 -0.57 0.00 0.00 179.45 180.74 2dkx h TRP 35 N -0.27 0.00 0.00 -1.35 7.01 -1.08 -2.08 115.95 118.18 2dkx h TRP 35 Ca -0.02 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.98 2dkx h TRP 35 Cb 0.21 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.27 2dkx h TRP 35 CO -0.04 0.02 -0.00 -0.07 -2.79 0.00 0.00 178.44 175.55 2dkx h LEU 36 N 0.00 0.00 -1.38 0.65 3.38 -0.40 -3.26 115.31 114.31 2dkx h LEU 36 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2dkx h LEU 36 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2dkx h LEU 36 CO 0.00 0.04 0.57 0.17 0.09 0.00 0.00 178.44 179.31 2dkx h LEU 37 N -0.07 0.00 0.00 1.67 8.10 -1.07 0.31 115.31 124.24 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 -2.85 0.00 0.06 0.17 -0.00 -0.78 -3.22 117.44 110.81 2dkx n TRP 38 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.49 2dkx n TRP 38 Cb 0.62 -0.33 0.28 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 1.24 -0.98 5.87 2.02 -1.48 -2.73 112.91 116.84 2dkx h THR 39 Ca 0.00 -1.08 0.25 0.00 0.77 0.00 0.00 66.41 66.35 2dkx h THR 39 Cb 0.00 1.30 -0.07 0.00 -1.74 0.00 0.00 68.15 67.64 2dkx h THR 39 CO 0.00 0.34 0.66 -0.08 0.37 0.00 0.00 175.52 176.81 2dkx h GLU 40 N 0.34 0.27 0.00 6.66 4.81 -0.54 0.89 114.58 127.00 2dkx h GLU 40 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2dkx h GLU 40 Cb 0.55 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2dkx h GLU 40 CO 0.04 0.18 -0.48 1.25 -0.73 0.00 0.00 179.01 179.26 2dkx h HIS 41 N 0.28 0.00 0.00 0.92 2.76 -1.45 0.33 115.15 117.98 2dkx h HIS 41 Ca 0.51 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 2dkx h HIS 41 Cb 1.51 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.47 2dkx h HIS 41 CO -0.00 0.00 -0.78 1.96 -1.30 0.00 0.00 177.93 177.81 2dkx h GLN 42 N 0.00 0.00 0.00 5.26 4.20 0.68 -3.34 115.11 121.91 2dkx h GLN 42 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2dkx h GLN 42 Cb 0.87 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.65 2dkx h GLN 42 CO 0.00 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.82 2dkx n TYR 43 N -2.37 0.00 -3.53 2.96 4.02 0.41 -5.01 117.16 113.65 2dkx n TYR 43 Ca 0.02 -0.11 -0.20 0.00 -0.01 0.00 0.00 57.90 57.61 2dkx n TYR 43 Cb 0.49 -0.01 0.08 0.00 -0.02 0.00 0.00 39.34 39.87 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 -0.11 -6.62 -3.31 -0.72 5.12 -0.42 -4.99 116.66 105.62 2dkx n ARG 44 Ca 0.00 0.80 -0.27 0.00 -1.93 0.00 0.00 57.85 56.45 2dkx n ARG 44 Cb 0.06 -5.76 -0.02 0.00 -1.16 0.00 0.00 32.46 25.58 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 -6.65 4.01 1.03 0.55 1.43 0.10 -5.02 118.68 114.13 2dkx s LEU 45 Ca 0.15 0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 53.75 2dkx s LEU 45 Cb -0.07 -3.47 0.21 0.00 0.03 0.00 0.00 46.19 42.88 2dkx s LEU 45 CO 0.75 -0.25 1.09 -2.16 0.23 0.00 0.00 176.35 176.01 2dkx s PRO 46 N -3.89 0.16 -0.70 1.29 0.04 -1.26 -4.78 135.00 125.85 2dkx s PRO 46 Ca 0.43 0.43 -0.26 0.00 0.04 0.00 0.00 61.00 61.64 2dkx s PRO 46 Cb -0.10 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 2dkx s PRO 46 CO 0.33 -2.90 1.89 -1.25 0.04 0.00 0.00 177.00 175.11 2dkx s PRO 47 N -5.00 2.60 0.03 0.56 0.04 -1.26 -4.78 135.00 127.20 2dkx s PRO 47 Ca 0.66 0.33 0.16 0.00 0.04 0.00 0.00 61.00 62.20 2dkx s PRO 47 Cb -0.18 -4.60 -0.16 0.00 0.04 0.00 0.00 34.50 29.61 2dkx s PRO 47 CO 0.58 -2.93 0.76 -1.33 0.04 0.00 0.00 177.00 174.11 2dkx n MET 48 N 9.09 0.63 -0.33 4.56 2.81 -1.26 -4.26 117.12 128.35 2dkx n MET 48 Ca 0.26 0.21 0.15 0.00 -1.81 0.00 0.00 57.70 56.51 2dkx n MET 48 Cb 0.50 -1.79 0.30 0.00 -0.71 0.00 0.00 33.22 31.52 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 3.70 1.28 1.84 3.03 0.00 -1.94 1.64 103.07 112.62 2dkx h GLY 49 Ca -0.20 0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 2dkx h GLY 49 CO 0.05 -0.50 -0.06 1.70 0.00 0.00 0.00 176.54 177.73 2dkx h LYS 50 N 0.03 0.20 0.00 4.80 1.63 -1.99 1.11 116.57 122.36 2dkx h LYS 50 Ca 0.59 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.36 2dkx h LYS 50 Cb 1.23 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2dkx h LYS 50 CO -0.87 0.28 -0.74 0.00 -3.45 0.00 0.00 179.45 174.67 2dkx h ALA 51 N 1.75 0.58 -0.14 5.00 0.00 0.18 -3.31 119.26 123.31 2dkx h ALA 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dkx h ALA 51 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2dkx h ALA 51 CO 0.01 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.45 2dkx n PHE 52 N -2.45 0.18 -0.30 0.00 3.01 0.23 -4.59 117.46 113.53 2dkx n PHE 52 Ca 0.02 -0.16 0.09 0.00 1.01 0.00 0.00 57.45 58.40 2dkx n PHE 52 Cb 0.50 -0.01 0.25 0.00 -0.01 0.00 0.00 39.48 40.21 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 2.52 0.59 0.00 -1.08 4.20 0.12 0.31 115.11 121.76 2dkx h GLN 53 Ca 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2dkx h GLN 53 Cb 0.62 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 2dkx h GLN 53 CO 0.00 0.39 -0.04 1.05 -0.67 0.00 0.00 178.83 179.56 2dkx h GLU 54 N 0.61 0.00 -7.13 1.46 4.11 -1.84 -3.45 114.58 108.34 2dkx h GLU 54 Ca 0.49 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 59.46 2dkx h GLU 54 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2dkx h GLU 54 CO -0.39 0.04 0.36 -0.51 0.07 0.00 0.00 179.01 178.58 2dkx s LEU 55 N -6.24 3.77 0.00 3.06 1.43 0.11 -5.08 118.68 115.73 2dkx s LEU 55 Ca 0.05 1.66 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 2dkx s LEU 55 Cb 0.06 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.74 2dkx s LEU 55 CO 0.65 -0.53 0.10 0.00 0.23 0.00 0.00 176.35 176.79 2dkx n ALA 56 N -1.16 0.39 0.13 4.21 0.00 -1.26 -4.91 120.51 117.91 2dkx n ALA 56 Ca 0.07 -1.41 -0.14 0.00 0.00 0.00 0.00 53.44 51.96 2dkx n ALA 56 Cb 0.54 0.94 -0.07 0.00 0.00 0.00 0.00 19.45 20.87 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 1.09 -0.70 0.57 0.00 0.00 -1.29 -0.70 103.07 102.04 2dkx h GLY 57 Ca -0.22 0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.54 2dkx h GLY 57 CO 0.35 -0.26 -0.24 0.07 0.00 0.00 0.00 176.54 176.45 2dkx h LYS 58 N -0.60 -0.42 -0.05 4.80 2.10 -1.66 -2.36 116.57 118.38 2dkx h LYS 58 Ca 0.02 0.03 0.01 0.00 -2.00 0.00 0.00 60.65 58.71 2dkx h LYS 58 Cb 0.62 0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 32.01 2dkx h LYS 58 CO -0.18 -0.28 -0.27 0.93 -2.00 0.00 0.00 179.45 177.65 2dkx h GLU 59 N -0.44 -0.29 -0.99 0.07 4.39 -1.88 0.84 114.58 116.29 2dkx h GLU 59 Ca 0.03 0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.88 2dkx h GLU 59 Cb 0.46 0.07 -0.14 0.00 -0.10 0.00 0.00 28.75 29.04 2dkx h GLU 59 CO -0.14 -0.19 -0.48 -0.07 -1.16 0.00 0.00 179.01 176.96 2dkx h LEU 60 N -0.30 -1.78 -1.70 1.33 4.07 -1.06 1.67 115.31 117.54 2dkx h LEU 60 Ca 0.01 0.32 -0.04 0.00 0.08 0.00 0.00 57.88 58.26 2dkx h LEU 60 Cb 0.34 0.85 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 2dkx h LEU 60 CO -0.21 -0.26 -0.18 0.00 -1.08 0.00 0.00 178.44 176.71 2dkx n ALA 62 N -2.34 2.88 -1.94 0.00 0.00 0.48 -4.88 120.51 114.71 2dkx n ALA 62 Ca -0.02 -0.21 -0.29 0.00 0.00 0.00 0.00 53.44 52.92 2dkx n ALA 62 Cb 0.28 -1.29 0.16 0.00 0.00 0.00 0.00 19.45 18.61 2dkx n ALA 62 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2dkx s MET 63 N -3.04 0.93 0.10 0.00 1.00 0.37 -5.01 119.30 113.65 2dkx s MET 63 Ca 0.11 -0.46 0.09 0.00 0.00 0.00 0.00 55.69 55.43 2dkx s MET 63 Cb 0.17 -1.93 -0.04 0.00 0.00 0.00 0.00 34.83 33.03 2dkx s MET 63 CO 0.63 -2.19 -0.23 -1.12 0.00 0.00 0.00 175.02 172.11 2dkx s SER 64 N -4.84 2.80 0.13 3.03 0.01 -1.26 -5.00 113.70 108.57 2dkx s SER 64 Ca 0.72 -0.68 -0.18 0.00 1.31 0.00 0.00 55.95 57.11 2dkx s SER 64 Cb -0.05 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.04 2dkx s SER 64 CO 0.51 0.12 1.08 1.21 0.41 0.00 0.00 173.24 176.57 2dkx n GLU 65 N 1.15 -0.25 -0.33 12.44 2.13 -1.26 0.24 120.64 134.76 2dkx n GLU 65 Ca -0.19 1.06 0.07 0.00 0.66 0.00 0.00 57.16 58.76 2dkx n GLU 65 Cb 0.53 -1.57 0.23 0.00 0.27 0.00 0.00 31.44 30.90 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 0.80 -0.88 5.31 4.57 -1.96 -0.68 114.58 121.73 2dkx h GLU 66 Ca 0.16 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.36 2dkx h GLU 66 Cb 0.34 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 28.68 2dkx h GLU 66 CO -0.67 0.53 0.55 1.96 -1.18 0.00 0.00 179.01 180.20 2dkx h GLN 67 N 0.83 0.97 0.00 1.92 1.08 0.26 0.02 115.11 120.19 2dkx h GLN 67 Ca 0.48 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.57 2dkx h GLN 67 Cb 0.55 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2dkx h GLN 67 CO -0.30 0.64 -0.21 0.74 -0.95 0.00 0.00 178.83 178.75 2dkx h PHE 68 N 1.00 0.00 0.00 2.96 -1.00 -0.18 -2.43 116.94 117.29 2dkx h PHE 68 Ca 0.39 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 61.01 2dkx h PHE 68 Cb 0.18 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 2dkx h PHE 68 CO -0.03 0.21 -0.78 0.00 -1.61 0.00 0.00 178.31 176.11 2dkx h ARG 69 N 0.00 0.00 0.00 1.51 3.08 -0.61 -1.36 114.38 117.00 2dkx h ARG 69 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2dkx h ARG 69 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2dkx h ARG 69 CO 0.03 0.68 -0.17 1.96 -1.07 0.00 0.00 179.97 181.39 2dkx h GLN 70 N 0.00 0.00 0.00 0.04 1.08 -0.69 -3.02 115.11 112.52 2dkx h GLN 70 Ca -0.02 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.93 2dkx h GLN 70 Cb 1.56 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.94 2dkx h GLN 70 CO 0.09 0.17 -2.06 2.89 -0.95 0.00 0.00 178.83 178.96 2dkx n ARG 71 N -3.72 1.21 -3.65 1.46 1.85 -1.21 -4.86 116.66 107.74 2dkx n ARG 71 Ca -0.02 -0.03 -0.29 0.00 -1.00 0.00 0.00 57.85 56.51 2dkx n ARG 71 Cb 0.28 -1.42 -0.14 0.00 -1.05 0.00 0.00 32.46 30.13 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 -4.84 3.73 0.02 2.89 0.15 -0.51 -4.97 113.70 110.16 2dkx s SER 72 Ca -0.08 -1.74 -0.22 0.00 0.70 0.00 0.00 55.95 54.61 2dkx s SER 72 Cb 0.06 -0.70 -0.16 0.00 -1.71 0.00 0.00 66.02 63.50 2dkx s SER 72 CO 0.68 -0.39 1.32 1.55 1.20 0.00 0.00 173.24 177.59 2dkx h PRO 73 N 7.87 0.24 0.00 5.44 0.13 -1.80 0.25 132.00 144.12 2dkx h PRO 73 Ca -0.11 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2dkx h PRO 73 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2dkx h PRO 73 CO 0.44 0.66 0.00 -0.07 -0.23 0.00 0.00 178.00 178.80 2dkx h LEU 74 N -0.18 0.00 0.00 1.56 3.38 -1.95 -3.41 115.31 114.72 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 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2dkx h LEU 74 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2dkx n GLY 75 N -0.34 0.53 5.94 0.83 0.00 -1.15 -4.91 105.19 106.08 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 4.60 0.36 0.36 -0.02 0.00 0.88 -2.71 105.19 108.66 2dkx n GLY 76 Ca 0.00 0.49 0.02 0.00 0.00 0.00 0.00 46.02 46.53 2dkx n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dkx n ASP 77 N 3.14 -0.51 -0.31 1.61 9.92 -1.26 0.43 116.55 129.56 2dkx n ASP 77 Ca 0.00 1.67 0.08 0.00 -0.53 0.00 0.00 54.79 56.00 2dkx n ASP 77 Cb 0.00 -0.43 0.18 0.00 -0.64 0.00 0.00 41.12 40.23 2dkx n ASP 77 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 2dkx h VAL 78 N 0.00 0.14 0.67 2.53 3.04 -1.89 0.73 116.25 121.47 2dkx h VAL 78 Ca 0.38 -0.01 -0.03 0.00 -1.01 0.00 0.00 66.70 66.03 2dkx h VAL 78 Cb 0.63 0.11 0.01 0.00 -2.01 0.00 0.00 31.29 30.02 2dkx h VAL 78 CO -0.97 0.01 -0.32 -0.07 -1.01 0.00 0.00 177.57 175.20 2dkx h LEU 79 N 0.03 -0.77 -2.00 3.16 3.38 -0.28 0.27 115.31 119.10 2dkx h LEU 79 Ca 0.48 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.56 2dkx h LEU 79 Cb 0.85 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2dkx h LEU 79 CO -0.86 -0.49 0.40 -0.74 0.09 0.00 0.00 178.44 176.84 2dkx h HIS 80 N -1.02 0.00 0.00 1.13 2.76 -0.86 0.16 115.15 117.32 2dkx h HIS 80 Ca -0.09 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 2dkx h HIS 80 Cb 0.69 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.65 2dkx h HIS 80 CO 0.04 0.00 -0.02 0.00 -1.30 0.00 0.00 177.93 176.65 2dkx h ALA 81 N 1.49 0.00 0.00 5.26 0.00 0.73 -2.84 119.26 123.90 2dkx h ALA 81 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2dkx h ALA 81 Cb 0.94 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2dkx h ALA 81 CO -0.00 0.02 0.15 1.25 0.00 0.00 0.00 179.25 180.67 2dkx h HIS 82 N -0.26 0.00 0.11 0.00 6.17 -0.24 -0.68 115.15 120.25 2dkx h HIS 82 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 60.37 60.83 2dkx h HIS 82 Cb 0.02 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 29.95 2dkx h HIS 82 CO -0.01 0.00 -1.24 1.25 0.71 0.00 0.00 177.93 178.64 2dkx h LEU 83 N 0.00 0.36 -0.97 0.26 5.85 -0.80 -3.36 115.31 116.66 2dkx h LEU 83 Ca 0.00 -0.86 0.29 0.00 0.84 0.00 0.00 57.88 58.15 2dkx h LEU 83 Cb 0.31 -0.12 -0.18 0.00 0.37 0.00 0.00 40.66 41.04 2dkx h LEU 83 CO 0.00 1.55 0.13 -0.78 -0.34 0.00 0.00 178.44 179.00 2dkx h ASP 84 N -0.38 -0.30 -0.97 1.25 3.58 -0.85 1.01 116.42 119.76 2dkx h ASP 84 Ca -0.26 0.26 0.13 0.00 0.42 0.00 0.00 57.03 57.58 2dkx h ASP 84 Cb 1.69 0.42 -0.09 0.00 1.72 0.00 0.00 39.33 43.07 2dkx h ASP 84 CO 0.06 -0.34 0.59 0.40 -2.88 0.00 0.00 179.24 177.07 2dkx h ILE 85 N 0.04 0.86 0.06 2.25 5.03 -1.70 0.22 117.51 124.26 2dkx h ILE 85 Ca 0.63 -0.31 -0.00 0.00 -0.12 0.00 0.00 64.86 65.06 2dkx h ILE 85 Cb 1.36 -0.11 0.00 0.00 -3.03 0.00 0.00 36.82 35.03 2dkx h ILE 85 CO -0.86 0.16 -0.03 -0.50 -0.68 0.00 0.00 178.15 176.25 2dkx h TRP 86 N 0.89 -0.07 -0.97 1.37 4.06 0.85 -2.81 115.95 119.27 2dkx h TRP 86 Ca 0.50 -0.00 0.30 0.00 2.06 0.00 0.00 58.89 61.75 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 -0.02 -0.04 0.43 1.57 -3.56 0.00 0.00 178.44 176.82 2dkx h LYS 87 N -0.17 0.23 -0.53 0.49 2.10 -1.29 0.55 116.57 117.95 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 0.06 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.31 2dkx h LYS 87 CO 0.01 0.15 0.33 1.03 -2.00 0.00 0.00 179.45 178.97 2dkx h SER 88 N 0.23 0.55 1.19 7.07 0.87 -0.65 0.12 113.55 122.93 2dkx h SER 88 Ca 0.69 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 61.17 2dkx h SER 88 Cb 1.55 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 2dkx h SER 88 CO -0.66 0.39 -0.34 0.00 -0.53 0.00 0.00 176.83 175.68 2dkx h ALA 89 N 1.22 0.88 0.00 6.23 0.00 0.17 -3.00 119.26 124.76 2dkx h ALA 89 Ca 0.21 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2dkx h ALA 89 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2dkx h ALA 89 CO -0.08 0.43 -0.16 0.00 0.00 0.00 0.00 179.25 179.44 2dkx h ALA 90 N 1.66 0.91 -0.36 0.00 0.00 0.32 -3.29 119.26 118.49 2dkx h ALA 90 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 2dkx h ALA 90 Cb 1.03 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 2dkx h ALA 90 CO 0.04 0.00 0.26 0.45 0.00 0.00 0.00 179.25 180.01 2dkx n SER 91 N -2.69 4.15 -0.07 0.00 2.88 0.35 -4.96 113.62 113.29 2dkx n SER 91 Ca 0.04 -2.68 0.00 0.00 -1.33 0.00 0.00 58.87 54.90 2dkx n SER 91 Cb 0.49 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 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 0.13 -2.95 3.69 0.46 0.00 -1.24 -4.82 105.19 100.45 2dkx n GLY 92 Ca 0.22 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 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 -4.99 0.65 -1.61 1.61 0.04 -1.26 -3.84 135.00 125.59 2dkx s PRO 93 Ca 0.00 0.60 -0.08 0.00 0.04 0.00 0.00 61.00 61.56 2dkx s PRO 93 Cb 0.00 -1.76 0.08 0.00 0.04 0.00 0.00 34.50 32.86 2dkx s PRO 93 CO 0.00 -2.60 0.35 0.43 0.04 0.00 0.00 177.00 175.22 2dkx n SER 94 N -4.10 -0.61 -4.30 6.66 7.64 -1.26 -4.87 113.62 112.77 2dkx n SER 94 Ca 0.06 -1.17 -0.46 0.00 1.01 0.00 0.00 58.87 58.31 2dkx n SER 94 Cb 0.57 -2.12 -0.03 0.00 -1.01 0.00 0.00 64.21 61.62 2dkx n SER 94 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dkx s SER 95 N -3.97 6.56 0.00 6.43 0.15 -1.25 -5.25 113.70 116.37 2dkx s SER 95 Ca 0.30 -2.64 0.00 0.00 0.70 0.00 0.00 55.95 54.31 2dkx s SER 95 Cb -0.17 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2dkx s SER 95 CO 0.97 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 175.45