#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kys s HIS 2 N 0.00 3.24 0.00 1.61 5.04 -1.26 -4.93 115.29 119.00 2kys s HIS 2 Ca 0.00 -0.59 0.00 0.00 -1.54 0.00 0.00 55.06 52.93 2kys s HIS 2 Cb 0.00 -2.58 0.00 0.00 0.04 0.00 0.00 32.58 30.04 2kys s HIS 2 CO 0.00 -0.59 0.00 0.43 -2.34 0.00 0.00 174.74 172.24 2kys n SER 3 N 5.16 0.00 -0.88 9.88 7.64 -1.26 -4.74 113.62 129.42 2kys n SER 3 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2kys n SER 3 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2kys n SER 3 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2kys n LYS 4 N 0.00 0.00 -1.55 1.43 2.85 -1.26 -5.08 118.16 114.55 2kys n LYS 4 Ca 0.00 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 2kys n LYS 4 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 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 0.76 -0.78 -1.58 0.00 -1.26 -4.86 117.12 109.39 2kys n MET 5 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 57.70 57.29 2kys n MET 5 Cb 0.00 -3.22 -0.07 0.00 0.00 0.00 0.00 33.22 29.94 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 15.72 4.79 -3.45 3.17 7.64 -1.26 -4.73 113.62 135.50 2kys n SER 6 Ca 0.44 -2.28 -0.20 0.00 1.01 0.00 0.00 58.87 57.84 2kys n SER 6 Cb 0.45 -1.09 0.04 0.00 -1.01 0.00 0.00 64.21 62.59 2kys n SER 6 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kys n ASP 7 N 3.39 -6.15 -3.97 6.43 9.92 -1.26 -4.46 116.55 120.46 2kys n ASP 7 Ca 0.42 -0.74 -0.41 0.00 -0.53 0.00 0.00 54.79 53.53 2kys n ASP 7 Cb 0.38 -4.09 -0.01 0.00 -0.64 0.00 0.00 41.12 36.75 2kys n ASP 7 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2kys n VAL 8 N -3.30 4.68 -2.16 2.53 0.24 -1.26 -4.60 118.33 114.46 2kys n VAL 8 Ca -0.09 -5.72 -0.01 0.00 -2.04 0.00 0.00 64.34 56.48 2kys n VAL 8 Cb 0.59 -2.16 0.09 0.00 -1.47 0.00 0.00 33.84 30.89 2kys n VAL 8 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2kys n LYS 9 N 1.48 1.43 -3.48 7.34 2.85 -1.26 -5.02 118.16 121.50 2kys n LYS 9 Ca 0.26 -3.06 -0.16 0.00 -1.05 0.00 0.00 58.31 54.30 2kys n LYS 9 Cb 0.35 -1.20 0.01 0.00 -0.65 0.00 0.00 35.03 33.54 2kys n LYS 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kys n THR 11 N -2.58 0.00 -4.62 0.00 5.66 -1.26 -4.80 114.28 106.67 2kys n THR 11 Ca -0.15 1.42 -0.25 0.00 -3.05 0.00 0.00 64.05 62.02 2kys n THR 11 Cb 0.60 -2.03 -0.17 0.00 -1.55 0.00 0.00 70.33 67.18 2kys n THR 11 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2kys s SER 12 N -2.77 1.84 0.62 1.09 0.01 -1.26 -5.02 113.70 108.21 2kys s SER 12 Ca 0.00 -0.31 0.33 0.00 1.31 0.00 0.00 55.95 57.28 2kys s SER 12 Cb 0.00 -0.83 1.87 0.00 0.21 0.00 0.00 66.02 67.27 2kys s SER 12 CO 0.00 0.05 2.17 -0.37 0.41 0.00 0.00 173.24 175.49 2kys h VAL 13 N 5.91 0.30 -0.07 3.43 -1.51 -1.99 -2.28 116.25 120.03 2kys h VAL 13 Ca -0.30 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.19 2kys h VAL 13 Cb 1.19 0.88 -0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2kys h VAL 13 CO 0.47 0.00 0.09 0.58 -1.23 0.00 0.00 177.57 177.48 2kys h VAL 14 N 0.00 0.42 0.00 7.19 2.07 -2.00 0.46 116.25 124.40 2kys h VAL 14 Ca 0.04 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 2kys h VAL 14 Cb 0.32 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2kys h VAL 14 CO -0.00 0.00 -0.60 -0.07 0.02 0.00 0.00 177.57 176.92 2kys h LEU 15 N 0.00 0.00 -0.50 2.57 -0.00 -1.81 -3.39 115.31 112.18 2kys h LEU 15 Ca 0.03 -0.46 -0.05 0.00 -0.00 0.00 0.00 57.88 57.40 2kys h LEU 15 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.85 2kys h LEU 15 CO -0.00 1.07 0.12 -0.07 -0.00 0.00 0.00 178.44 179.56 2kys h LEU 16 N -1.00 0.77 -0.25 1.67 3.38 -1.32 -1.97 115.31 116.59 2kys h LEU 16 Ca -0.14 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.65 2kys h LEU 16 Cb 0.88 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2kys h LEU 16 CO -0.08 0.81 -0.10 -1.28 0.09 0.00 0.00 178.44 177.88 2kys h SER 17 N 0.70 -0.33 0.52 -0.43 0.87 -1.23 -1.18 113.55 112.48 2kys h SER 17 Ca 0.16 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2kys h SER 17 Cb 0.34 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2kys h SER 17 CO 0.00 -0.13 0.00 0.52 -0.53 0.00 0.00 176.83 176.70 2kys n VAL 18 N -5.26 1.00 -0.12 2.23 0.31 -0.76 -0.54 118.33 115.18 2kys n VAL 18 Ca -0.01 0.31 -0.26 0.00 -0.01 0.00 0.00 64.34 64.37 2kys n VAL 18 Cb 0.18 -1.19 -0.11 0.00 -0.91 0.00 0.00 33.84 31.81 2kys n VAL 18 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2kys n LEU 19 N -1.94 1.92 0.22 7.52 4.77 -0.88 -4.37 117.00 124.24 2kys n LEU 19 Ca 0.02 0.38 0.15 0.00 -0.03 0.00 0.00 56.01 56.53 2kys n LEU 19 Cb 0.17 -0.90 0.66 0.00 -2.33 0.00 0.00 43.42 41.03 2kys n LEU 19 CO 0.15 0.43 0.95 0.06 -1.33 0.00 0.00 177.39 177.65 2kys h GLN 20 N -0.99 0.00 0.00 3.23 3.07 -0.99 -2.22 115.11 117.21 2kys h GLN 20 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.21 2kys h GLN 20 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.03 2kys h GLN 20 CO -0.32 0.00 0.13 0.37 0.09 0.00 0.00 178.83 179.11 2kys h GLN 21 N 0.00 0.00 0.00 0.06 4.15 -1.02 -3.39 115.11 114.91 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 0.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.06 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 -2.97 0.00 -0.32 -2.39 7.99 -0.84 -5.07 117.00 113.40 2kys n LEU 22 Ca -0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 56.01 55.97 2kys n LEU 22 Cb 0.19 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.50 2kys n LEU 22 CO 0.17 0.00 0.14 -2.11 -1.51 0.00 0.00 177.39 174.08 2kys n ARG 23 N -0.49 0.00 -1.56 3.23 0.00 -1.20 -5.15 116.66 111.49 2kys n ARG 23 Ca 0.00 -0.06 -0.37 0.00 -0.00 0.00 0.00 57.85 57.42 2kys n ARG 23 Cb 0.00 0.05 0.06 0.00 -0.00 0.00 0.00 32.46 32.57 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 3.44 -4.21 8.89 3.14 -1.19 -4.99 118.33 123.41 2kys n VAL 24 Ca -0.02 -0.48 -0.34 0.00 -2.96 0.00 0.00 64.34 60.54 2kys n VAL 24 Cb 0.29 -1.07 -0.15 0.00 -1.06 0.00 0.00 33.84 31.85 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 -2.77 3.18 0.31 1.45 2.02 -1.26 -4.94 118.70 116.68 2kys s GLU 25 Ca 0.75 -0.74 0.08 0.00 0.02 0.00 0.00 54.97 55.07 2kys s GLU 25 Cb -0.40 -2.71 0.84 0.00 0.10 0.00 0.00 34.13 31.95 2kys s GLU 25 CO 0.48 -0.12 1.72 0.66 0.02 0.00 0.00 175.26 178.01 2kys h SER 26 N 7.75 0.55 0.85 -0.19 4.64 -1.99 -2.13 113.55 123.04 2kys h SER 26 Ca -0.40 0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 2kys h SER 26 Cb 1.16 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2kys h SER 26 CO 0.60 0.06 -0.06 0.28 -0.87 0.00 0.00 176.83 176.84 2kys h SER 27 N 0.51 0.00 -3.37 4.97 0.02 -2.02 -3.44 113.55 110.21 2kys h SER 27 Ca 0.62 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.92 2kys h SER 27 Cb 1.18 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.50 2kys h SER 27 CO -0.50 0.06 -0.68 -0.44 -1.14 0.00 0.00 176.83 174.13 2kys s SER 28 N -5.81 4.68 0.56 3.07 0.01 -0.80 -5.00 113.70 110.41 2kys s SER 28 Ca 0.00 -0.13 0.39 0.00 1.31 0.00 0.00 55.95 57.52 2kys s SER 28 Cb 0.10 -1.63 1.51 0.00 0.21 0.00 0.00 66.02 66.20 2kys s SER 28 CO 0.56 0.21 1.65 0.07 0.41 0.00 0.00 173.24 176.15 2kys h LYS 29 N 6.37 0.00 -0.81 12.44 -0.00 -1.85 -1.89 116.57 130.83 2kys h LYS 29 Ca -0.34 0.00 0.18 0.00 -0.00 0.00 0.00 60.65 60.49 2kys h LYS 29 Cb 1.19 0.00 -0.15 0.00 -0.00 0.00 0.00 32.23 33.27 2kys h LYS 29 CO 0.60 0.00 -0.07 1.25 -0.00 0.00 0.00 179.45 181.23 2kys h LEU 30 N 0.00 -0.51 0.04 7.07 7.12 -1.94 0.21 115.31 127.30 2kys h LEU 30 Ca 0.64 0.22 0.02 0.00 0.13 0.00 0.00 57.88 58.90 2kys h LEU 30 Cb 2.78 0.42 -0.05 0.00 -0.53 0.00 0.00 40.66 43.27 2kys h LEU 30 CO -0.01 -0.24 -0.44 -0.25 -0.13 0.00 0.00 178.44 177.37 2kys h TRP 31 N 0.05 -1.27 -0.27 1.25 7.01 -1.47 -2.48 115.95 118.77 2kys h TRP 31 Ca 0.43 0.04 -0.07 0.00 2.11 0.00 0.00 58.89 61.40 2kys h TRP 31 Cb 0.74 0.55 -0.02 0.00 -2.10 0.00 0.00 29.16 28.34 2kys h TRP 31 CO -0.51 -0.52 -0.14 0.00 -2.79 0.00 0.00 178.44 174.48 2kys h ALA 32 N -0.16 1.27 -0.84 2.65 0.00 -1.54 -2.65 119.26 117.99 2kys h ALA 32 Ca 0.03 -0.27 0.20 0.00 0.00 0.00 0.00 54.91 54.87 2kys h ALA 32 Cb 0.68 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2kys h ALA 32 CO -0.30 0.48 0.57 1.96 0.00 0.00 0.00 179.25 181.96 2kys h GLN 33 N 0.42 0.27 0.00 0.00 1.08 -0.14 -1.14 115.11 115.60 2kys h GLN 33 Ca 0.08 -0.02 -0.21 0.00 -1.45 0.00 0.00 58.65 57.05 2kys h GLN 33 Cb 0.49 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 2kys h GLN 33 CO 0.03 0.18 -1.18 0.00 -0.95 0.00 0.00 178.83 176.91 2kys h VAL 35 N -1.00 0.43 -0.04 0.00 2.07 -1.09 -1.86 116.25 114.76 2kys h VAL 35 Ca -0.32 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.03 2kys h VAL 35 Cb 1.26 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2kys h VAL 35 CO -0.19 0.00 -0.72 0.06 0.02 0.00 0.00 177.57 176.74 2kys h GLN 36 N -0.16 0.24 0.00 1.57 -0.00 -1.44 -3.28 115.11 112.04 2kys h GLN 36 Ca 0.17 -0.20 -0.08 0.00 -0.00 0.00 0.00 58.65 58.54 2kys h GLN 36 Cb 0.42 0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 27.93 2kys h GLN 36 CO -0.44 0.86 -0.40 1.25 -0.00 0.00 0.00 178.83 180.10 2kys h LEU 37 N 0.16 0.00 -0.28 0.06 6.46 -1.45 -1.83 115.31 118.44 2kys h LEU 37 Ca -0.02 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.78 2kys h LEU 37 Cb 1.27 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 41.13 2kys h LEU 37 CO 0.11 0.40 -0.51 -0.74 -0.62 0.00 0.00 178.44 177.09 2kys h HIS 38 N 0.00 -1.51 -0.71 1.25 2.76 -1.53 -1.78 115.15 113.63 2kys h HIS 38 Ca -0.00 0.07 0.02 0.00 -2.20 0.00 0.00 60.37 58.25 2kys h HIS 38 Cb 0.76 0.70 -0.04 0.00 1.55 0.00 0.00 27.41 30.37 2kys h HIS 38 CO 0.00 -0.50 0.46 -0.91 -1.30 0.00 0.00 177.93 175.68 2kys h ASN 39 N -0.46 0.78 0.25 3.26 2.35 -1.51 -1.95 115.58 118.31 2kys h ASN 39 Ca 0.08 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2kys h ASN 39 Cb 0.63 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.81 2kys h ASN 39 CO -0.51 0.56 0.00 0.47 -1.65 0.00 0.00 177.43 176.29 2kys n ASP 40 N -4.62 0.00 0.13 5.81 8.00 -0.73 -0.63 116.55 124.52 2kys n ASP 40 Ca 0.07 0.37 -0.06 0.00 0.71 0.00 0.00 54.79 55.88 2kys n ASP 40 Cb 0.05 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.69 2kys n ASP 40 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2kys h ILE 41 N 0.00 0.00 0.00 0.53 1.08 -0.70 -2.23 117.51 116.20 2kys h ILE 41 Ca 0.00 -0.58 -0.03 0.00 -0.39 0.00 0.00 64.86 63.86 2kys h ILE 41 Cb 0.12 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.87 2kys h ILE 41 CO 0.00 0.00 -0.14 -0.07 -0.69 0.00 0.00 178.15 177.25 2kys h LEU 42 N -0.99 0.00 -2.88 1.44 3.38 -1.34 -1.12 115.31 113.80 2kys h LEU 42 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2kys h LEU 42 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2kys h LEU 42 CO 0.07 0.14 0.00 0.18 0.09 0.00 0.00 178.44 178.92 2kys n LEU 43 N -3.62 4.38 -4.68 1.67 4.32 0.20 -4.96 117.00 114.32 2kys n LEU 43 Ca -0.02 -2.21 -0.29 0.00 -0.02 0.00 0.00 56.01 53.48 2kys n LEU 43 Cb 0.26 -0.55 0.17 0.00 -1.62 0.00 0.00 43.42 41.69 2kys n LEU 43 CO 0.31 0.81 0.64 0.00 -1.22 0.00 0.00 177.39 177.93 2kys s ALA 44 N -1.67 1.02 0.14 -1.18 0.00 -0.42 -4.89 121.76 114.76 2kys s ALA 44 Ca 0.48 -0.28 -0.18 0.00 0.00 0.00 0.00 51.96 51.98 2kys s ALA 44 Cb 0.30 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2kys s ALA 44 CO 0.25 -2.78 1.75 0.87 0.00 0.00 0.00 175.76 175.85 2kys h LYS 45 N -1.85 0.21 0.00 0.00 1.79 -1.88 -3.48 116.57 111.36 2kys h LYS 45 Ca -0.54 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 2kys h LYS 45 Cb 1.32 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 2kys h LYS 45 CO 0.57 0.14 0.00 -0.25 -1.08 0.00 0.00 179.45 178.82 2kys n ASP 46 N -5.04 0.00 0.26 0.86 8.00 -1.26 -5.07 116.55 114.30 2kys n ASP 46 Ca -0.01 -0.90 -0.11 0.00 0.71 0.00 0.00 54.79 54.48 2kys n ASP 46 Cb 0.10 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.15 2kys n ASP 46 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2kys h THR 47 N 0.90 0.00 -0.37 -3.53 2.02 -1.94 -3.19 112.91 106.80 2kys h THR 47 Ca 0.00 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 66.92 2kys h THR 47 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 2kys h THR 47 CO 0.00 0.00 0.20 0.00 0.37 0.00 0.00 175.52 176.09 2kys h THR 48 N -0.98 1.01 0.00 3.16 1.03 -2.00 0.32 112.91 115.44 2kys h THR 48 Ca -0.07 -0.14 0.00 0.00 -0.01 0.00 0.00 66.41 66.19 2kys h THR 48 Cb 0.53 0.57 0.00 0.00 -1.07 0.00 0.00 68.15 68.18 2kys h THR 48 CO 0.12 0.07 0.00 1.21 -0.01 0.00 0.00 175.52 176.91 2kys n GLU 49 N -4.91 0.06 0.08 0.00 2.13 -1.26 -1.66 120.64 115.07 2kys n GLU 49 Ca 0.01 0.23 -0.04 0.00 0.66 0.00 0.00 57.16 58.02 2kys n GLU 49 Cb 0.07 -1.59 -0.02 0.00 0.27 0.00 0.00 31.44 30.18 2kys n GLU 49 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kys h ALA 50 N 2.57 -0.39 0.00 4.31 0.00 -0.93 -3.33 119.26 121.49 2kys h ALA 50 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2kys h ALA 50 Cb 0.36 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kys h ALA 50 CO 0.00 -0.37 -0.16 0.27 0.00 0.00 0.00 179.25 178.99 2kys h PHE 51 N -0.62 0.00 -0.97 0.00 -0.00 -1.33 -0.27 116.94 113.75 2kys h PHE 51 Ca -0.03 0.00 0.25 0.00 -0.00 0.00 0.00 57.97 58.20 2kys h PHE 51 Cb 0.19 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 36.07 2kys h PHE 51 CO 0.03 0.16 0.66 0.93 -0.00 0.00 0.00 178.31 180.09 2kys h GLU 52 N 0.00 0.25 -0.03 6.09 4.39 -1.47 -0.68 114.58 123.13 2kys h GLU 52 Ca -0.00 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 2kys h GLU 52 Cb 0.58 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2kys h GLU 52 CO 0.02 0.16 -0.51 0.87 -1.16 0.00 0.00 179.01 178.40 2kys h LYS 53 N 0.26 0.39 -0.42 2.33 1.57 -1.14 -3.30 116.57 116.25 2kys h LYS 53 Ca 0.50 -0.39 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 2kys h LYS 53 Cb 1.52 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.91 2kys h LYS 53 CO -0.15 1.05 -0.12 0.00 -0.57 0.00 0.00 179.45 179.66 2kys h MET 54 N -0.12 0.76 0.00 3.15 -0.00 -1.17 -1.14 114.93 116.40 2kys h MET 54 Ca -0.06 -0.25 0.00 0.00 -0.00 0.00 0.00 59.70 59.39 2kys h MET 54 Cb 1.21 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 32.75 2kys h MET 54 CO 0.10 0.85 0.00 0.28 -0.00 0.00 0.00 176.91 178.14 2kys n VAL 55 N -4.16 0.92 -0.36 -0.10 0.31 -0.50 -1.29 118.33 113.16 2kys n VAL 55 Ca 0.01 0.23 0.08 0.00 -0.01 0.00 0.00 64.34 64.65 2kys n VAL 55 Cb 0.37 -1.04 0.23 0.00 -0.91 0.00 0.00 33.84 32.49 2kys n VAL 55 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2kys n SER 56 N -1.37 3.50 -0.05 4.52 7.64 -0.44 -4.48 113.62 122.94 2kys n SER 56 Ca 0.04 -2.15 -0.08 0.00 1.01 0.00 0.00 58.87 57.70 2kys n SER 56 Cb 0.10 -0.37 -0.05 0.00 -1.01 0.00 0.00 64.21 62.89 2kys n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kys n LEU 57 N 0.78 2.84 0.07 -3.43 -0.00 -0.41 -4.45 117.00 112.40 2kys n LEU 57 Ca 0.17 -0.04 0.08 0.00 -0.00 0.00 0.00 56.01 56.22 2kys n LEU 57 Cb 0.57 -0.36 0.52 0.00 -0.00 0.00 0.00 43.42 44.16 2kys n LEU 57 CO 0.13 0.65 1.14 0.17 -0.00 0.00 0.00 177.39 179.47 2kys h LEU 58 N -0.03 0.27 0.02 1.47 -0.00 -1.75 0.39 115.31 115.68 2kys h LEU 58 Ca -0.24 -0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.38 2kys h LEU 58 Cb 1.35 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 2kys h LEU 58 CO -0.05 0.19 -1.14 -1.28 -0.00 0.00 0.00 178.44 176.17 2kys h SER 59 N 0.32 0.44 -0.18 0.17 0.87 -1.85 -1.50 113.55 111.81 2kys h SER 59 Ca 0.13 -0.43 -0.10 0.00 -1.23 0.00 0.00 61.79 60.16 2kys h SER 59 Cb 0.13 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2kys h SER 59 CO -0.03 1.30 -0.29 1.62 -0.53 0.00 0.00 176.83 178.90 2kys h VAL 60 N 0.12 1.34 0.43 2.23 3.04 -1.22 -2.71 116.25 119.48 2kys h VAL 60 Ca -0.11 -1.51 -0.02 0.00 -1.01 0.00 0.00 66.70 64.05 2kys h VAL 60 Cb 1.83 1.88 0.00 0.00 -2.01 0.00 0.00 31.29 32.99 2kys h VAL 60 CO 0.19 0.46 -0.21 -0.07 -1.01 0.00 0.00 177.57 176.93 2kys h LEU 61 N 0.17 -0.49 -1.96 3.16 -0.00 -1.13 -3.02 115.31 112.04 2kys h LEU 61 Ca 0.02 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2kys h LEU 61 Cb 0.87 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 2kys h LEU 61 CO 0.07 -0.10 0.00 -0.07 -0.00 0.00 0.00 178.44 178.33 2kys h LEU 62 N -0.95 0.00 -0.12 1.67 4.07 -1.37 0.19 115.31 118.80 2kys h LEU 62 Ca -0.06 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.84 2kys h LEU 62 Cb 0.56 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.30 2kys h LEU 62 CO 0.10 0.00 -0.16 -1.28 -1.08 0.00 0.00 178.44 176.02 2kys h SER 63 N 0.00 0.36 1.13 -0.43 0.87 -1.49 -2.10 113.55 111.88 2kys h SER 63 Ca 0.00 -0.51 -0.16 0.00 -1.23 0.00 0.00 61.79 59.89 2kys h SER 63 Cb 0.22 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 2kys h SER 63 CO 0.00 0.80 -0.76 0.00 -0.53 0.00 0.00 176.83 176.33 2kys h MET 64 N -0.07 0.00 0.00 2.24 -0.00 -0.63 -3.42 114.93 113.05 2kys h MET 64 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.72 2kys h MET 64 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.31 2kys h MET 64 CO 0.04 0.76 0.00 0.00 -0.00 0.00 0.00 176.91 177.71 2kys n GLN 65 N -3.35 2.72 -3.42 -0.10 10.64 0.25 -5.09 117.38 119.02 2kys n GLN 65 Ca 0.01 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 54.99 2kys n GLN 65 Cb 0.82 -0.23 0.07 0.00 -0.86 0.00 0.00 30.24 30.04 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 0.00 -0.73 3.82 2.61 0.00 -0.79 -4.96 105.19 105.14 2kys n GLY 66 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.43 2.33 -0.12 4.61 0.00 -1.26 -5.03 121.76 118.86 2kys s ALA 67 Ca 0.23 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 2kys s ALA 67 Cb -0.04 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 2kys s ALA 67 CO 0.76 -1.68 -0.23 1.33 0.00 0.00 0.00 175.76 175.94 2kys n VAL 68 N -3.39 1.24 0.36 0.00 0.24 -1.26 -4.70 118.33 110.82 2kys n VAL 68 Ca 0.07 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 2kys n VAL 68 Cb 0.57 -1.95 0.00 0.00 -1.47 0.00 0.00 33.84 30.99 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 -4.00 0.17 0.15 -1.34 9.92 -1.26 -4.26 116.55 115.93 2kys n ASP 69 Ca -0.19 -0.53 0.13 0.00 -0.53 0.00 0.00 54.79 53.66 2kys n ASP 69 Cb 0.50 -0.09 0.47 0.00 -0.64 0.00 0.00 41.12 41.36 2kys n ASP 69 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2kys h ILE 70 N 0.00 0.00 0.00 0.53 6.09 -1.93 -1.65 117.51 120.55 2kys h ILE 70 Ca 0.00 -0.39 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 2kys h ILE 70 Cb 0.09 1.26 0.00 0.00 0.47 0.00 0.00 36.82 38.64 2kys h ILE 70 CO 0.00 0.00 -0.61 0.78 -3.07 0.00 0.00 178.15 175.25 2kys h ASN 71 N 0.00 0.00 0.37 2.19 2.35 -1.98 -3.38 115.58 115.14 2kys h ASN 71 Ca 0.00 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 2kys h ASN 71 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2kys h ASN 71 CO 0.00 0.06 -0.19 0.03 -1.65 0.00 0.00 177.43 175.68 2kys h ARG 72 N 0.00 -0.50 -0.75 0.81 -0.00 -1.63 -2.17 114.38 110.13 2kys h ARG 72 Ca 0.00 0.03 0.07 0.00 -0.50 0.00 0.00 59.98 59.58 2kys h ARG 72 Cb 0.84 0.11 -0.06 0.00 0.00 0.00 0.00 29.97 30.86 2kys h ARG 72 CO 0.00 -0.33 0.43 1.37 0.00 0.00 0.00 179.97 181.44 2kys h LEU 73 N -0.52 0.64 0.32 3.04 -0.00 -1.74 -2.19 115.31 114.87 2kys h LEU 73 Ca -0.05 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 2kys h LEU 73 Cb 0.41 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 2kys h LEU 73 CO 0.07 0.40 -0.24 0.00 -0.00 0.00 0.00 178.44 178.68 2kys n GLU 75 N -5.36 0.20 -0.02 0.00 1.02 -0.85 -0.86 120.64 114.76 2kys n GLU 75 Ca -0.10 0.11 -0.01 0.00 -0.02 0.00 0.00 57.16 57.15 2kys n GLU 75 Cb 0.27 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.19 2kys n GLU 75 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2kys h GLU 76 N 0.00 0.00 0.00 3.49 4.81 -0.83 -3.36 114.58 118.69 2kys h GLU 76 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2kys h GLU 76 Cb 0.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2kys h GLU 76 CO 0.00 0.00 -0.22 0.00 -0.73 0.00 0.00 179.01 178.06 2kys h MET 77 N -0.39 0.00 -0.35 1.92 -0.00 -0.87 -1.48 114.93 113.77 2kys h MET 77 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.57 2kys h MET 77 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.66 2kys h MET 77 CO 0.00 0.22 -0.29 1.25 -0.00 0.00 0.00 176.91 178.09 2kys h LEU 78 N 0.00 0.85 -0.89 -0.10 5.85 -1.22 -2.59 115.31 117.21 2kys h LEU 78 Ca -0.00 -0.45 -0.10 0.00 0.84 0.00 0.00 57.88 58.16 2kys h LEU 78 Cb 0.61 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2kys h LEU 78 CO 0.03 1.13 -0.49 -0.78 -0.34 0.00 0.00 178.44 177.98 2kys h ASP 79 N 0.59 0.00 1.02 1.25 3.58 -1.53 -1.09 116.42 120.24 2kys h ASP 79 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2kys h ASP 79 Cb 0.86 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2kys h ASP 79 CO 0.07 0.49 -0.12 0.59 -2.88 0.00 0.00 179.24 177.40 2kys n ASN 80 N -3.72 0.29 -0.07 2.28 3.02 -0.62 -2.19 115.26 114.25 2kys n ASN 80 Ca -0.01 0.38 -0.17 0.00 -0.03 0.00 0.00 54.58 54.75 2kys n ASN 80 Cb 0.55 -0.41 -0.13 0.00 -0.61 0.00 0.00 39.78 39.18 2kys n ASN 80 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2kys h ARG 81 N 0.00 0.03 -0.26 3.52 1.12 -1.00 -3.40 114.38 114.40 2kys h ARG 81 Ca 0.00 -0.05 -0.05 0.00 -1.11 0.00 0.00 59.98 58.77 2kys h ARG 81 Cb 0.57 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.53 2kys h ARG 81 CO 0.00 1.03 -0.05 0.00 -3.11 0.00 0.00 179.97 177.83 2kys h ALA 82 N -0.15 1.43 0.00 2.80 0.00 -0.99 -0.16 119.26 122.19 2kys h ALA 82 Ca -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2kys h ALA 82 Cb 1.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2kys h ALA 82 CO -0.05 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.60 2kys h THR 83 N 0.39 0.00 -0.10 0.00 1.03 -1.64 -2.08 112.91 110.51 2kys h THR 83 Ca 0.08 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.44 2kys h THR 83 Cb 0.35 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 68.33 2kys h THR 83 CO 0.02 0.00 0.00 0.18 -0.01 0.00 0.00 175.52 175.71 2kys n LEU 84 N -2.85 2.59 0.00 0.00 4.77 -0.07 -5.12 117.00 116.32 2kys n LEU 84 Ca -0.02 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 2kys n LEU 84 Cb 0.08 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2kys n LEU 84 CO 0.18 0.47 0.00 0.00 -1.33 0.00 0.00 177.39 176.70