#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kys n HIS 2 N 0.00 -1.68 -0.00 1.61 1.44 -1.26 -4.88 115.22 110.44 2kys n HIS 2 Ca 0.00 0.28 -0.19 0.00 -2.01 0.00 0.00 57.72 55.79 2kys n HIS 2 Cb 0.00 -2.56 -0.14 0.00 0.12 0.00 0.00 29.99 27.41 2kys n HIS 2 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 2kys h SER 3 N -0.55 0.31 0.00 4.39 0.02 -2.11 -3.48 113.55 112.13 2kys h SER 3 Ca -0.33 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 59.72 2kys h SER 3 Cb 1.23 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2kys h SER 3 CO 0.42 1.39 0.00 2.29 -1.14 0.00 0.00 176.83 179.79 2kys n LYS 4 N -4.19 0.00 0.00 3.45 2.85 -1.26 -5.13 118.16 113.88 2kys n LYS 4 Ca -0.18 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 2kys n LYS 4 Cb 0.77 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.15 2kys n LYS 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kys n MET 5 N 0.00 0.00 -1.97 -1.58 0.00 -1.26 -5.05 117.12 107.26 2kys n MET 5 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.34 2kys n MET 5 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.21 2kys n MET 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2kys n SER 6 N 0.00 7.35 -1.44 3.17 7.64 -1.26 -4.79 113.62 124.29 2kys n SER 6 Ca 0.00 -3.41 -0.08 0.00 1.01 0.00 0.00 58.87 56.40 2kys n SER 6 Cb 0.00 -1.23 0.02 0.00 -1.01 0.00 0.00 64.21 61.99 2kys n SER 6 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kys n ASP 7 N 0.68 -3.36 -4.17 6.43 2.03 -1.26 -4.88 116.55 112.02 2kys n ASP 7 Ca 0.54 -0.16 -0.44 0.00 0.52 0.00 0.00 54.79 55.25 2kys n ASP 7 Cb 0.34 -1.99 0.00 0.00 -0.72 0.00 0.00 41.12 38.75 2kys n ASP 7 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2kys n VAL 8 N -3.41 4.71 -3.17 5.18 0.24 -1.26 -4.67 118.33 115.95 2kys n VAL 8 Ca -0.01 -5.25 -0.46 0.00 -2.04 0.00 0.00 64.34 56.59 2kys n VAL 8 Cb 0.52 -2.36 -0.02 0.00 -1.47 0.00 0.00 33.84 30.51 2kys n VAL 8 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2kys s LYS 9 N -0.89 3.61 0.17 7.34 -2.85 -1.26 -4.96 119.74 120.90 2kys s LYS 9 Ca 0.35 -2.19 -0.31 0.00 -1.00 0.00 0.00 55.97 52.81 2kys s LYS 9 Cb -0.00 -4.62 -0.10 0.00 -2.06 0.00 0.00 37.83 31.04 2kys s LYS 9 CO 0.01 -1.48 1.55 0.00 0.10 0.00 0.00 175.35 175.53 2kys s THR 11 N 1.06 0.07 -0.01 0.00 -1.32 -1.26 -5.10 115.64 109.08 2kys s THR 11 Ca 0.69 -1.75 -0.01 0.00 -1.21 0.00 0.00 61.69 59.41 2kys s THR 11 Cb -0.43 -2.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.51 2kys s THR 11 CO 0.32 -0.34 0.01 -1.20 -2.21 0.00 0.00 174.62 171.21 2kys n SER 12 N -0.16 -3.10 0.31 8.08 7.64 -1.26 -4.67 113.62 120.45 2kys n SER 12 Ca -0.05 1.16 0.16 0.00 1.01 0.00 0.00 58.87 61.16 2kys n SER 12 Cb 0.64 -2.35 0.84 0.00 -1.01 0.00 0.00 64.21 62.32 2kys n SER 12 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2kys h VAL 13 N 4.27 0.05 -1.05 0.44 -1.51 -1.99 -1.92 116.25 114.55 2kys h VAL 13 Ca -0.03 0.00 0.28 0.00 -1.23 0.00 0.00 66.70 65.72 2kys h VAL 13 Cb 0.07 0.69 -0.11 0.00 -2.13 0.00 0.00 31.29 29.81 2kys h VAL 13 CO 0.00 0.00 0.65 0.58 -1.23 0.00 0.00 177.57 177.57 2kys h VAL 14 N 0.00 0.48 0.00 7.19 2.07 -1.98 0.57 116.25 124.57 2kys h VAL 14 Ca 0.02 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2kys h VAL 14 Cb 0.66 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2kys h VAL 14 CO -0.00 0.08 -0.14 -0.07 0.02 0.00 0.00 177.57 177.45 2kys h LEU 15 N 0.43 0.00 -0.50 2.57 -0.00 -1.62 -3.38 115.31 112.81 2kys h LEU 15 Ca 0.64 -0.55 -0.14 0.00 -0.00 0.00 0.00 57.88 57.84 2kys h LEU 15 Cb 1.51 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.16 2kys h LEU 15 CO -0.39 0.85 -0.25 -0.07 -0.00 0.00 0.00 178.44 178.58 2kys h LEU 16 N -1.00 0.99 -0.36 1.67 3.38 -1.42 -2.04 115.31 116.52 2kys h LEU 16 Ca -0.03 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.61 2kys h LEU 16 Cb 0.65 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2kys h LEU 16 CO -0.02 1.18 0.04 -1.28 0.09 0.00 0.00 178.44 178.45 2kys h SER 17 N 0.81 -0.05 -0.00 -0.43 0.87 -1.16 -2.35 113.55 111.24 2kys h SER 17 Ca 0.10 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2kys h SER 17 Cb 0.83 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 2kys h SER 17 CO 0.07 0.01 0.00 0.58 -0.53 0.00 0.00 176.83 176.96 2kys h VAL 18 N 0.15 0.33 0.02 2.23 2.07 -1.54 0.71 116.25 120.22 2kys h VAL 18 Ca 0.17 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.49 2kys h VAL 18 Cb 0.22 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2kys h VAL 18 CO -0.25 0.00 -1.12 -0.07 0.02 0.00 0.00 177.57 176.15 2kys h LEU 19 N 0.00 0.07 -1.13 2.57 -0.00 -1.40 -3.38 115.31 112.03 2kys h LEU 19 Ca 0.00 -0.65 0.00 0.00 -0.00 0.00 0.00 57.88 57.23 2kys h LEU 19 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2kys h LEU 19 CO -0.00 1.45 0.00 0.06 -0.00 0.00 0.00 178.44 179.95 2kys h GLN 20 N -0.86 0.00 -0.05 1.13 3.07 -1.03 -2.81 115.11 114.55 2kys h GLN 20 Ca -0.29 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.46 2kys h GLN 20 Cb 1.35 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.91 2kys h GLN 20 CO -0.13 0.00 0.09 0.37 0.09 0.00 0.00 178.83 179.25 2kys h GLN 21 N 0.00 0.00 0.00 0.06 4.15 -1.05 -3.38 115.11 114.89 2kys h GLN 21 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2kys h GLN 21 Cb 0.48 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.17 2kys h GLN 21 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 178.83 178.18 2kys n LEU 22 N -3.55 0.00 -0.46 -2.39 7.99 -1.07 -5.05 117.00 112.47 2kys n LEU 22 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 55.97 2kys n LEU 22 Cb 0.17 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.47 2kys n LEU 22 CO 0.24 0.00 0.08 -2.11 -1.51 0.00 0.00 177.39 174.09 2kys n ARG 23 N -1.18 0.00 -1.28 3.23 0.00 -1.24 -5.16 116.66 111.03 2kys n ARG 23 Ca 0.00 -0.17 -0.36 0.00 -0.00 0.00 0.00 57.85 57.32 2kys n ARG 23 Cb 0.00 0.33 0.08 0.00 -0.00 0.00 0.00 32.46 32.87 2kys n ARG 23 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2kys n VAL 24 N 0.00 2.12 -3.75 8.89 3.14 -1.18 -4.98 118.33 122.58 2kys n VAL 24 Ca -0.05 -0.37 -0.38 0.00 -2.96 0.00 0.00 64.34 60.58 2kys n VAL 24 Cb 0.28 -0.89 -0.12 0.00 -1.06 0.00 0.00 33.84 32.05 2kys n VAL 24 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2kys s GLU 25 N -3.05 2.85 0.50 1.45 2.02 -1.26 -4.95 118.70 116.26 2kys s GLU 25 Ca 0.69 -1.02 0.14 0.00 0.02 0.00 0.00 54.97 54.80 2kys s GLU 25 Cb -0.34 -3.44 1.19 0.00 0.10 0.00 0.00 34.13 31.64 2kys s GLU 25 CO 0.55 -0.56 2.13 0.66 0.02 0.00 0.00 175.26 178.06 2kys h SER 26 N 8.24 0.08 0.00 -0.19 4.64 -2.00 -1.88 113.55 122.45 2kys h SER 26 Ca -0.27 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2kys h SER 26 Cb 1.10 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2kys h SER 26 CO 0.61 0.06 0.00 -0.24 -0.87 0.00 0.00 176.83 176.39 2kys n SER 27 N -4.52 0.93 -4.19 4.97 2.88 -1.26 -4.75 113.62 107.67 2kys n SER 27 Ca -0.02 -1.09 -0.14 0.00 -1.33 0.00 0.00 58.87 56.29 2kys n SER 27 Cb 0.09 -0.27 -0.10 0.00 -0.75 0.00 0.00 64.21 63.17 2kys n SER 27 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kys s SER 28 N 0.05 1.48 0.66 -3.46 0.15 -0.70 -5.01 113.70 106.87 2kys s SER 28 Ca 0.00 -0.89 0.41 0.00 0.70 0.00 0.00 55.95 56.17 2kys s SER 28 Cb 0.00 0.02 2.26 0.00 -1.71 0.00 0.00 66.02 66.59 2kys s SER 28 CO 0.00 -0.31 2.29 0.07 1.20 0.00 0.00 173.24 176.49 2kys h LYS 29 N 3.28 0.00 0.18 5.44 -0.00 -1.85 -3.17 116.57 120.45 2kys h LYS 29 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.28 2kys h LYS 29 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.40 2kys h LYS 29 CO 0.57 0.00 -0.15 1.25 -0.00 0.00 0.00 179.45 181.12 2kys h LEU 30 N 0.00 -0.40 -1.41 7.07 7.12 -1.93 0.29 115.31 126.05 2kys h LEU 30 Ca 0.00 0.03 0.14 0.00 0.13 0.00 0.00 57.88 58.19 2kys h LEU 30 Cb 0.13 0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 40.33 2kys h LEU 30 CO -0.00 -0.23 0.54 -0.25 -0.13 0.00 0.00 178.44 178.37 2kys h TRP 31 N -0.35 0.68 0.03 1.25 7.01 -1.70 -2.43 115.95 120.44 2kys h TRP 31 Ca -0.00 0.02 -0.22 0.00 2.11 0.00 0.00 58.89 60.80 2kys h TRP 31 Cb 0.32 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.14 2kys h TRP 31 CO -0.12 0.26 -1.01 0.00 -2.79 0.00 0.00 178.44 174.78 2kys h ALA 32 N 1.62 0.36 -0.55 2.65 0.00 -1.40 -3.21 119.26 118.73 2kys h ALA 32 Ca 0.41 -0.85 0.11 0.00 0.00 0.00 0.00 54.91 54.58 2kys h ALA 32 Cb 0.75 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 2kys h ALA 32 CO -0.16 1.11 -0.06 1.96 0.00 0.00 0.00 179.25 182.09 2kys h GLN 33 N 0.03 0.06 -0.03 0.00 1.08 0.05 -0.22 115.11 116.08 2kys h GLN 33 Ca -0.04 -0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 56.97 2kys h GLN 33 Cb 1.73 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 29.16 2kys h GLN 33 CO 0.14 0.04 -0.71 0.00 -0.95 0.00 0.00 178.83 177.35 2kys h VAL 35 N 0.12 0.01 -0.33 0.00 2.07 -1.47 -1.59 116.25 115.05 2kys h VAL 35 Ca -0.08 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 2kys h VAL 35 Cb 1.39 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2kys h VAL 35 CO 0.14 0.00 -0.02 0.06 0.02 0.00 0.00 177.57 177.77 2kys h GLN 36 N -0.99 0.60 0.00 1.57 -0.00 -1.10 -3.23 115.11 111.97 2kys h GLN 36 Ca -0.06 -0.20 -0.07 0.00 -0.00 0.00 0.00 58.65 58.32 2kys h GLN 36 Cb 0.87 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 28.29 2kys h GLN 36 CO -0.09 0.74 -0.34 1.25 -0.00 0.00 0.00 178.83 180.39 2kys h LEU 37 N 0.40 0.00 -0.23 0.06 6.46 -1.14 -1.43 115.31 119.44 2kys h LEU 37 Ca 0.09 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.88 2kys h LEU 37 Cb 0.48 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 2kys h LEU 37 CO 0.02 0.34 0.03 -0.74 -0.62 0.00 0.00 178.44 177.47 2kys h HIS 38 N 0.00 0.05 -0.21 1.25 2.76 -1.30 -2.01 115.15 115.69 2kys h HIS 38 Ca -0.00 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.21 2kys h HIS 38 Cb 0.69 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.63 2kys h HIS 38 CO 0.00 0.01 0.03 -0.91 -1.30 0.00 0.00 177.93 175.75 2kys h ASN 39 N 0.12 -0.02 0.12 3.26 2.35 -1.40 -2.69 115.58 117.32 2kys h ASN 39 Ca 0.10 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2kys h ASN 39 Cb 0.11 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2kys h ASN 39 CO -0.15 0.02 0.00 0.44 -1.65 0.00 0.00 177.43 176.09 2kys h ASP 40 N 0.10 0.00 0.09 5.81 3.32 -0.74 0.46 116.42 125.46 2kys h ASP 40 Ca 0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 2kys h ASP 40 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2kys h ASP 40 CO -0.14 0.00 -0.04 0.40 -1.72 0.00 0.00 179.24 177.74 2kys h ILE 41 N 0.00 0.00 0.00 0.35 1.08 -1.02 -2.26 117.51 115.66 2kys h ILE 41 Ca 0.00 -0.03 -0.04 0.00 -0.39 0.00 0.00 64.86 64.40 2kys h ILE 41 Cb 0.06 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.80 2kys h ILE 41 CO 0.00 0.00 -0.20 -0.07 -0.69 0.00 0.00 178.15 177.19 2kys h LEU 42 N -0.15 0.00 -0.99 1.44 3.38 -1.40 -1.88 115.31 115.70 2kys h LEU 42 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kys h LEU 42 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2kys h LEU 42 CO 0.02 0.20 -0.04 0.18 0.09 0.00 0.00 178.44 178.90 2kys n LEU 43 N -3.78 1.58 -4.39 1.67 4.77 0.06 -4.94 117.00 111.97 2kys n LEU 43 Ca -0.02 -0.52 -0.29 0.00 -0.03 0.00 0.00 56.01 55.16 2kys n LEU 43 Cb 0.31 -0.01 0.24 0.00 -2.33 0.00 0.00 43.42 41.63 2kys n LEU 43 CO 0.33 0.27 0.20 0.00 -1.33 0.00 0.00 177.39 176.86 2kys n ALA 44 N 0.18 -3.46 0.09 -1.18 0.00 -0.71 -4.96 120.51 110.47 2kys n ALA 44 Ca 0.18 -1.29 -0.04 0.00 0.00 0.00 0.00 53.44 52.29 2kys n ALA 44 Cb 0.38 -1.84 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 2kys n ALA 44 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2kys h LYS 45 N -2.63 -0.24 -5.38 0.00 1.79 -1.89 -3.49 116.57 104.74 2kys h LYS 45 Ca -0.61 0.02 -0.54 0.00 -2.18 0.00 0.00 60.65 57.34 2kys h LYS 45 Cb 1.34 0.06 -0.13 0.00 -1.58 0.00 0.00 32.23 31.91 2kys h LYS 45 CO 0.46 -0.16 -0.60 -0.51 -1.08 0.00 0.00 179.45 177.56 2kys s ASP 46 N -3.07 2.98 0.16 0.86 1.01 -1.26 -5.02 116.67 112.34 2kys s ASP 46 Ca -0.04 -1.39 -0.21 0.00 0.71 0.00 0.00 52.55 51.62 2kys s ASP 46 Cb 0.00 -0.16 0.06 0.00 1.01 0.00 0.00 42.92 43.84 2kys s ASP 46 CO 0.11 -0.57 1.62 0.74 0.21 0.00 0.00 175.17 177.28 2kys h THR 47 N 1.96 0.35 -0.33 -1.27 2.02 -1.96 0.15 112.91 113.83 2kys h THR 47 Ca -0.42 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2kys h THR 47 Cb 1.25 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2kys h THR 47 CO 0.73 0.00 0.16 0.00 0.37 0.00 0.00 175.52 176.78 2kys h THR 48 N -0.21 1.16 0.00 3.16 1.03 -2.01 -2.56 112.91 113.48 2kys h THR 48 Ca 0.17 -0.46 -0.07 0.00 -0.01 0.00 0.00 66.41 66.03 2kys h THR 48 Cb 0.47 0.86 -0.01 0.00 -1.07 0.00 0.00 68.15 68.41 2kys h THR 48 CO -0.46 0.17 -0.35 -0.08 -0.01 0.00 0.00 175.52 174.79 2kys h GLU 49 N 0.39 0.00 -0.89 0.00 4.57 -1.90 -1.49 114.58 115.26 2kys h GLU 49 Ca 0.11 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.31 2kys h GLU 49 Cb 0.12 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 2kys h GLU 49 CO -0.01 0.35 0.59 0.00 -1.18 0.00 0.00 179.01 178.76 2kys h ALA 50 N 1.65 1.38 0.00 2.92 0.00 -0.54 -3.22 119.26 121.45 2kys h ALA 50 Ca -0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2kys h ALA 50 Cb 0.83 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2kys h ALA 50 CO 0.05 0.57 -1.97 1.97 0.00 0.00 0.00 179.25 179.87 2kys n PHE 51 N -4.41 0.00 0.22 0.00 -1.74 -1.05 -4.28 117.46 106.21 2kys n PHE 51 Ca 0.11 0.00 0.18 0.00 -0.56 0.00 0.00 57.45 57.18 2kys n PHE 51 Cb 0.03 -0.57 0.84 0.00 1.52 0.00 0.00 39.48 41.30 2kys n PHE 51 CO 0.00 0.00 0.00 0.93 -0.56 0.00 0.00 176.76 177.13 2kys h GLU 52 N 0.00 0.00 0.06 3.97 4.39 -1.28 -0.22 114.58 121.49 2kys h GLU 52 Ca -0.16 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.22 2kys h GLU 52 Cb 1.26 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.88 2kys h GLU 52 CO 0.01 0.00 -1.84 0.36 -1.16 0.00 0.00 179.01 176.38 2kys n LYS 53 N -3.47 0.69 -0.18 2.33 2.85 -1.24 -3.99 118.16 115.15 2kys n LYS 53 Ca 0.02 0.28 -0.06 0.00 -1.05 0.00 0.00 58.31 57.50 2kys n LYS 53 Cb 0.40 -1.76 0.10 0.00 -0.65 0.00 0.00 35.03 33.12 2kys n LYS 53 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kys h MET 54 N 0.03 0.97 0.00 -1.58 -0.00 -1.24 -2.29 114.93 110.82 2kys h MET 54 Ca -0.35 -0.26 0.00 0.00 -0.00 0.00 0.00 59.70 59.09 2kys h MET 54 Cb 2.02 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 33.51 2kys h MET 54 CO 0.09 0.91 0.00 -0.39 -0.00 0.00 0.00 176.91 177.52 2kys h VAL 55 N 0.91 0.00 -0.60 -0.10 -1.51 -1.58 -0.35 116.25 113.01 2kys h VAL 55 Ca 0.18 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 2kys h VAL 55 Cb 0.44 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 2kys h VAL 55 CO 0.01 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.15 2kys n SER 56 N -3.07 4.91 0.06 4.19 7.64 -0.88 -4.47 113.62 122.00 2kys n SER 56 Ca -0.01 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.28 2kys n SER 56 Cb 0.17 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 2kys n SER 56 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2kys n LEU 57 N 0.89 0.91 0.00 -3.43 0.00 -0.22 -4.68 117.00 110.48 2kys n LEU 57 Ca 0.26 0.17 0.01 0.00 0.00 0.00 0.00 56.01 56.45 2kys n LEU 57 Cb 0.95 -0.24 0.05 0.00 0.00 0.00 0.00 43.42 44.19 2kys n LEU 57 CO 0.25 -0.73 0.18 0.00 0.00 0.00 0.00 177.39 177.10 2kys n LEU 58 N -3.47 0.00 0.00 -1.96 -0.00 -0.76 -0.96 117.00 109.85 2kys n LEU 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2kys n LEU 58 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 2kys n LEU 58 CO 0.00 0.00 -0.12 -0.24 -0.00 0.00 0.00 177.39 177.03 2kys n SER 59 N -0.63 1.19 -0.09 1.45 2.88 -1.26 -4.62 113.62 112.55 2kys n SER 59 Ca 0.01 -0.01 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 2kys n SER 59 Cb 0.01 0.25 -0.03 0.00 -0.75 0.00 0.00 64.21 63.69 2kys n SER 59 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2kys h VAL 60 N 0.00 1.27 -0.19 2.46 3.04 -1.32 -3.19 116.25 118.32 2kys h VAL 60 Ca 0.00 -1.69 -0.16 0.00 -1.01 0.00 0.00 66.70 63.85 2kys h VAL 60 Cb 0.00 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 2kys h VAL 60 CO 0.00 0.55 -0.50 -0.07 -1.01 0.00 0.00 177.57 176.55 2kys h LEU 61 N 0.69 0.77 -1.56 3.16 3.38 -1.85 -2.54 115.31 117.36 2kys h LEU 61 Ca 0.03 -0.57 0.10 0.00 0.09 0.00 0.00 57.88 57.52 2kys h LEU 61 Cb 1.11 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2kys h LEU 61 CO 0.11 1.21 0.43 -0.07 0.09 0.00 0.00 178.44 180.21 2kys h LEU 62 N 0.37 0.45 -0.47 1.67 3.38 -1.82 0.13 115.31 119.03 2kys h LEU 62 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kys h LEU 62 Cb 1.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2kys h LEU 62 CO 0.11 0.27 0.00 -0.24 0.09 0.00 0.00 178.44 178.67 2kys n SER 63 N -4.48 0.46 0.00 -0.43 2.88 -0.96 -0.50 113.62 110.59 2kys n SER 63 Ca 0.11 -1.97 0.00 0.00 -1.33 0.00 0.00 58.87 55.68 2kys n SER 63 Cb 0.35 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2kys n SER 63 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 2kys n MET 64 N -0.26 1.94 0.00 -1.46 0.00 0.41 -4.99 117.12 112.77 2kys n MET 64 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.61 2kys n MET 64 Cb 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 33.22 32.91 2kys n MET 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kys n GLN 65 N -0.30 0.24 -2.79 3.17 10.64 -0.89 -5.07 117.38 122.37 2kys n GLN 65 Ca 0.00 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.15 2kys n GLN 65 Cb 0.05 -0.14 0.01 0.00 -0.86 0.00 0.00 30.24 29.30 2kys n GLN 65 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kys n GLY 66 N -0.19 -1.01 3.95 2.61 0.00 0.34 -5.01 105.19 105.88 2kys n GLY 66 Ca 0.00 0.36 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 2kys n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kys s ALA 67 N -3.05 2.96 0.05 4.61 0.00 -1.26 -5.06 121.76 120.01 2kys s ALA 67 Ca 0.06 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 2kys s ALA 67 Cb -0.01 -2.50 -0.00 0.00 0.00 0.00 0.00 23.12 20.61 2kys s ALA 67 CO 0.61 -1.78 -0.02 1.33 0.00 0.00 0.00 175.76 175.90 2kys n VAL 68 N -3.22 0.86 0.94 0.00 0.24 -1.26 -4.81 118.33 111.07 2kys n VAL 68 Ca 0.13 0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.69 2kys n VAL 68 Cb 0.60 -1.59 0.00 0.00 -1.47 0.00 0.00 33.84 31.38 2kys n VAL 68 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2kys n ASP 69 N -3.38 0.45 0.27 -1.34 8.00 -1.26 -4.15 116.55 115.13 2kys n ASP 69 Ca -0.01 -1.38 0.14 0.00 0.71 0.00 0.00 54.79 54.24 2kys n ASP 69 Cb 0.19 -0.22 0.77 0.00 -0.02 0.00 0.00 41.12 41.84 2kys n ASP 69 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2kys h ILE 70 N 0.00 0.51 0.00 0.53 6.09 -1.90 -1.95 117.51 120.79 2kys h ILE 70 Ca 0.00 -0.44 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 2kys h ILE 70 Cb 0.22 1.29 0.00 0.00 0.47 0.00 0.00 36.82 38.80 2kys h ILE 70 CO 0.00 0.09 -0.32 0.59 -3.07 0.00 0.00 178.15 175.45 2kys n ASN 71 N -3.62 0.37 -0.00 2.19 3.02 -1.26 -4.21 115.26 111.75 2kys n ASN 71 Ca -0.02 0.10 -0.12 0.00 -0.03 0.00 0.00 54.58 54.51 2kys n ASN 71 Cb 0.21 -0.08 -0.08 0.00 -0.61 0.00 0.00 39.78 39.23 2kys n ASN 71 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2kys h ARG 72 N 0.00 0.07 -0.42 3.52 -0.00 -1.69 -0.55 114.38 115.32 2kys h ARG 72 Ca 0.00 -0.02 0.03 0.00 -0.50 0.00 0.00 59.98 59.49 2kys h ARG 72 Cb 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.48 2kys h ARG 72 CO 0.00 0.30 0.28 1.37 0.00 0.00 0.00 179.97 181.92 2kys h LEU 73 N -0.18 0.39 -1.39 3.04 -0.00 -1.76 -1.85 115.31 113.58 2kys h LEU 73 Ca 0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 2kys h LEU 73 Cb 0.26 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2kys h LEU 73 CO 0.00 0.27 -0.21 0.00 -0.00 0.00 0.00 178.44 178.50 2kys n GLU 75 N -3.51 0.87 -0.04 0.00 1.02 -0.75 -3.95 120.64 114.28 2kys n GLU 75 Ca -0.01 -0.64 -0.05 0.00 -0.02 0.00 0.00 57.16 56.45 2kys n GLU 75 Cb 0.37 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.29 2kys n GLU 75 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2kys n GLU 76 N -0.51 0.27 0.06 3.49 2.13 -0.83 -4.47 120.64 120.78 2kys n GLU 76 Ca 0.10 0.11 -0.03 0.00 0.66 0.00 0.00 57.16 58.00 2kys n GLU 76 Cb 0.40 -0.95 0.22 0.00 0.27 0.00 0.00 31.44 31.38 2kys n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kys h MET 77 N -0.51 0.36 -0.06 5.31 -0.00 -0.96 -0.87 114.93 118.19 2kys h MET 77 Ca 0.00 -0.15 -0.05 0.00 -0.00 0.00 0.00 59.70 59.50 2kys h MET 77 Cb 0.51 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.09 2kys h MET 77 CO 0.00 0.65 -0.19 1.25 -0.00 0.00 0.00 176.91 178.62 2kys h LEU 78 N 0.31 0.09 0.24 -0.10 6.46 -1.71 -2.60 115.31 118.00 2kys h LEU 78 Ca 0.04 -0.02 -0.33 0.00 -0.12 0.00 0.00 57.88 57.45 2kys h LEU 78 Cb 0.73 -0.02 0.04 0.00 -0.73 0.00 0.00 40.66 40.68 2kys h LEU 78 CO 0.06 0.29 -1.45 -0.78 -0.62 0.00 0.00 178.44 175.93 2kys h ASP 79 N 0.09 0.86 0.42 1.25 3.58 -1.57 -3.25 116.42 117.81 2kys h ASP 79 Ca 0.02 -0.90 0.00 0.00 0.42 0.00 0.00 57.03 56.56 2kys h ASP 79 Cb 0.39 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2kys h ASP 79 CO 0.03 1.70 0.00 0.59 -2.88 0.00 0.00 179.24 178.68 2kys n ASN 80 N -3.73 0.27 -0.05 2.28 3.02 -0.41 -0.99 115.26 115.64 2kys n ASN 80 Ca -0.16 0.58 -0.09 0.00 -0.03 0.00 0.00 54.58 54.87 2kys n ASN 80 Cb 1.09 -0.63 -0.15 0.00 -0.61 0.00 0.00 39.78 39.48 2kys n ASN 80 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2kys n ARG 81 N -1.81 0.66 -0.19 3.52 -4.01 -1.06 -4.48 116.66 109.28 2kys n ARG 81 Ca 0.02 0.17 -0.04 0.00 -1.04 0.00 0.00 57.85 56.96 2kys n ARG 81 Cb 0.14 -1.68 0.14 0.00 -3.04 0.00 0.00 32.46 28.02 2kys n ARG 81 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2kys h ALA 82 N 0.99 1.13 0.00 2.89 0.00 -1.09 -2.51 119.26 120.67 2kys h ALA 82 Ca -0.39 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2kys h ALA 82 Cb 2.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2kys h ALA 82 CO 0.06 0.59 0.00 -2.37 0.00 0.00 0.00 179.25 177.53 2kys n THR 83 N -4.27 1.59 1.44 0.00 5.66 -0.88 -1.56 114.28 116.26 2kys n THR 83 Ca 0.05 0.40 0.13 0.00 -3.05 0.00 0.00 64.05 61.58 2kys n THR 83 Cb 0.22 -1.36 0.50 0.00 -1.55 0.00 0.00 70.33 68.14 2kys n THR 83 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2kys n LEU 84 N -1.42 1.52 0.00 1.09 4.77 -0.95 -5.13 117.00 116.88 2kys n LEU 84 Ca 0.01 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 2kys n LEU 84 Cb 0.02 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2kys n LEU 84 CO 0.02 0.27 0.20 0.00 -1.33 0.00 0.00 177.39 176.54