#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 -0.21 0.00 1.61 2.46 -1.26 -5.05 115.29 112.85 2kys s HIS 2 Ca 0.00 -0.16 0.00 0.00 0.47 0.00 0.00 55.06 55.37 2kys s HIS 2 Cb 0.00 0.67 0.00 0.00 -0.13 0.00 0.00 32.58 33.12 2kys s HIS 2 CO 0.00 -1.04 0.00 0.43 -2.47 0.00 0.00 174.74 171.66 2kys n SER 3 N -0.45 0.00 0.00 9.88 7.64 -1.26 -4.73 113.62 124.70 2kys n SER 3 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2kys n SER 3 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 -1.89 1.43 2.85 -1.26 -5.12 118.16 114.17 2kys n LYS 4 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 2kys n LYS 4 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 2kys n LYS 4 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kys s MET 5 N 1.51 4.19 -0.38 -1.58 0.23 -1.26 -4.89 119.30 117.12 2kys s MET 5 Ca 0.00 2.40 0.02 0.00 -1.03 0.00 0.00 55.69 57.08 2kys s MET 5 Cb 0.00 -3.29 0.49 0.00 -1.53 0.00 0.00 34.83 30.50 2kys s MET 5 CO 0.00 -0.67 1.77 0.43 -2.03 0.00 0.00 175.02 174.52 2kys n SER 6 N 4.50 4.20 -1.96 -1.18 7.64 -1.26 -4.82 113.62 120.73 2kys n SER 6 Ca 0.15 -3.29 -0.09 0.00 1.01 0.00 0.00 58.87 56.65 2kys n SER 6 Cb 0.39 -0.81 0.04 0.00 -1.01 0.00 0.00 64.21 62.82 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 -0.71 -3.06 -3.44 6.43 9.92 -1.26 -4.95 116.55 119.48 2kys n ASP 7 Ca 0.47 -0.26 -0.39 0.00 -0.53 0.00 0.00 54.79 54.08 2kys n ASP 7 Cb 1.28 -2.53 -0.01 0.00 -0.64 0.00 0.00 41.12 39.23 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 -3.05 5.17 -2.07 2.53 0.24 -1.26 -4.71 118.33 115.17 2kys n VAL 8 Ca -0.06 -4.26 -0.23 0.00 -2.04 0.00 0.00 64.34 57.75 2kys n VAL 8 Cb 0.55 -2.06 0.02 0.00 -1.47 0.00 0.00 33.84 30.88 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 1.69 3.52 -2.13 7.34 0.00 -1.26 -4.98 118.16 122.35 2kys n LYS 9 Ca 0.62 -4.15 -0.03 0.00 -0.00 0.00 0.00 58.31 54.75 2kys n LYS 9 Cb 0.26 -2.25 -0.02 0.00 -0.00 0.00 0.00 35.03 33.02 2kys n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kys n THR 11 N 1.11 0.00 -3.80 0.00 -2.24 -1.26 -4.98 114.28 103.11 2kys n THR 11 Ca -0.22 0.48 -0.16 0.00 -2.27 0.00 0.00 64.05 61.88 2kys n THR 11 Cb 0.34 -1.46 -0.16 0.00 -2.10 0.00 0.00 70.33 66.95 2kys n THR 11 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kys s SER 12 N -3.13 0.33 0.65 3.42 0.01 -1.26 -5.04 113.70 108.68 2kys s SER 12 Ca 0.00 0.02 0.40 0.00 1.31 0.00 0.00 55.95 57.69 2kys s SER 12 Cb 0.00 -0.13 2.24 0.00 0.21 0.00 0.00 66.02 68.34 2kys s SER 12 CO 0.00 -0.14 2.31 -0.37 0.41 0.00 0.00 173.24 175.45 2kys h VAL 13 N 6.30 0.12 -1.05 3.43 -1.51 -1.99 -2.60 116.25 118.95 2kys h VAL 13 Ca -0.40 0.00 0.29 0.00 -1.23 0.00 0.00 66.70 65.36 2kys h VAL 13 Cb 1.12 0.97 -0.12 0.00 -2.13 0.00 0.00 31.29 31.13 2kys h VAL 13 CO 0.43 0.00 0.64 0.58 -1.23 0.00 0.00 177.57 177.99 2kys h VAL 14 N 0.00 0.43 0.00 7.19 2.07 -1.98 0.12 116.25 124.08 2kys h VAL 14 Ca 0.00 -0.14 -0.21 0.00 0.82 0.00 0.00 66.70 67.18 2kys h VAL 14 Cb 0.07 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.79 2kys h VAL 14 CO -0.00 0.07 -1.16 0.17 0.02 0.00 0.00 177.57 176.67 2kys h LEU 15 N 0.41 0.00 -0.70 2.57 -0.00 -1.84 -3.37 115.31 112.38 2kys h LEU 15 Ca 0.67 -0.51 0.09 0.00 -0.00 0.00 0.00 57.88 58.13 2kys h LEU 15 Cb 1.57 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 42.16 2kys h LEU 15 CO -0.45 1.43 0.35 -0.07 -0.00 0.00 0.00 178.44 179.70 2kys h LEU 16 N -1.00 0.46 -1.68 0.17 -0.00 -1.42 -1.69 115.31 110.15 2kys h LEU 16 Ca -0.32 0.06 -0.02 0.00 -0.00 0.00 0.00 57.88 57.60 2kys h LEU 16 Cb 1.25 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.88 2kys h LEU 16 CO -0.19 0.27 -0.02 -1.28 -0.00 0.00 0.00 178.44 177.22 2kys h SER 17 N 0.60 0.16 -0.82 -0.43 0.87 -1.02 -0.45 113.55 112.46 2kys h SER 17 Ca 0.34 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.91 2kys h SER 17 Cb 0.34 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.21 2kys h SER 17 CO -0.26 0.21 0.54 0.58 -0.53 0.00 0.00 176.83 177.38 2kys h VAL 18 N 0.17 1.15 0.03 2.23 2.07 -1.49 0.79 116.25 121.20 2kys h VAL 18 Ca 0.04 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2kys h VAL 18 Cb 0.16 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2kys h VAL 18 CO 0.00 0.19 -0.01 -0.07 0.02 0.00 0.00 177.57 177.70 2kys h LEU 19 N 1.04 -0.03 -0.81 2.57 -0.00 -1.17 -3.35 115.31 113.57 2kys h LEU 19 Ca 0.32 -0.68 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 2kys h LEU 19 Cb -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2kys h LEU 19 CO -0.09 0.74 0.00 1.56 -0.00 0.00 0.00 178.44 180.65 2kys h GLN 20 N -0.88 0.00 -0.03 1.13 4.20 -1.09 -2.06 115.11 116.38 2kys h GLN 20 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.71 2kys h GLN 20 Cb 0.72 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 2kys h GLN 20 CO 0.01 0.00 0.04 0.37 -0.67 0.00 0.00 178.83 178.57 2kys h GLN 21 N 0.00 0.00 0.00 1.46 4.15 -0.97 -3.42 115.11 116.33 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 0.45 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.14 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 -3.63 0.00 0.00 -2.39 4.77 -0.78 -5.07 117.00 109.90 2kys n LEU 22 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2kys n LEU 22 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2kys n LEU 22 CO 0.25 0.00 0.00 -2.11 -1.33 0.00 0.00 177.39 174.20 2kys n ARG 23 N -0.29 0.00 -1.14 3.23 0.00 -1.21 -5.15 116.66 112.09 2kys n ARG 23 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.48 2kys n ARG 23 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 32.46 32.51 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 0.53 -3.58 8.89 3.14 -1.22 -4.96 118.33 121.13 2kys n VAL 24 Ca 0.00 -0.45 -0.41 0.00 -2.96 0.00 0.00 64.34 60.53 2kys n VAL 24 Cb 0.00 -0.27 -0.10 0.00 -1.06 0.00 0.00 33.84 32.42 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 -2.04 2.62 0.22 1.45 2.02 -1.26 -4.93 118.70 116.77 2kys s GLU 25 Ca 0.54 -1.49 -0.14 0.00 0.02 0.00 0.00 54.97 53.90 2kys s GLU 25 Cb -0.33 -3.82 0.25 0.00 0.10 0.00 0.00 34.13 30.33 2kys s GLU 25 CO 0.69 -0.99 1.61 0.66 0.02 0.00 0.00 175.26 177.25 2kys h SER 26 N 8.44 -0.76 0.00 -0.19 4.64 -1.98 -2.86 113.55 120.84 2kys h SER 26 Ca -0.23 0.22 -0.38 0.00 -0.47 0.00 0.00 61.79 60.93 2kys h SER 26 Cb 1.08 0.47 0.02 0.00 -0.31 0.00 0.00 62.40 63.66 2kys h SER 26 CO 0.78 -0.25 2.55 -1.20 -0.87 0.00 0.00 176.83 177.84 2kys n SER 27 N -5.47 4.67 -3.73 4.97 7.64 -1.26 -4.67 113.62 115.78 2kys n SER 27 Ca 0.08 -2.33 -0.08 0.00 1.01 0.00 0.00 58.87 57.56 2kys n SER 27 Cb 0.36 -1.08 -0.02 0.00 -1.01 0.00 0.00 64.21 62.46 2kys n SER 27 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2kys s SER 28 N 3.53 -0.33 0.53 6.43 0.15 -1.08 -4.98 113.70 117.96 2kys s SER 28 Ca 0.39 -0.41 0.25 0.00 0.70 0.00 0.00 55.95 56.87 2kys s SER 28 Cb 0.10 0.65 1.50 0.00 -1.71 0.00 0.00 66.02 66.56 2kys s SER 28 CO -0.03 -1.17 2.14 0.07 1.20 0.00 0.00 173.24 175.45 2kys h LYS 29 N 2.00 0.00 0.31 5.44 -0.00 -1.86 -3.32 116.57 119.14 2kys h LYS 29 Ca -0.23 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.42 2kys h LYS 29 Cb 1.26 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.47 2kys h LYS 29 CO 0.27 0.08 -0.29 1.25 -0.00 0.00 0.00 179.45 180.76 2kys h LEU 30 N 0.00 -0.77 -1.31 7.07 7.12 -1.91 0.13 115.31 125.64 2kys h LEU 30 Ca -0.00 0.07 0.24 0.00 0.13 0.00 0.00 57.88 58.32 2kys h LEU 30 Cb 0.18 0.26 -0.09 0.00 -0.53 0.00 0.00 40.66 40.47 2kys h LEU 30 CO 0.01 -0.42 0.64 -0.25 -0.13 0.00 0.00 178.44 178.29 2kys h TRP 31 N -0.62 0.73 0.03 1.25 7.01 -1.65 -0.89 115.95 121.82 2kys h TRP 31 Ca -0.02 0.02 -0.22 0.00 2.11 0.00 0.00 58.89 60.79 2kys h TRP 31 Cb 0.56 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 2kys h TRP 31 CO -0.17 0.11 -1.00 0.00 -2.79 0.00 0.00 178.44 174.59 2kys h ALA 32 N 1.63 0.38 -1.00 2.65 0.00 -1.37 -3.28 119.26 118.26 2kys h ALA 32 Ca 0.57 -0.82 0.24 0.00 0.00 0.00 0.00 54.91 54.90 2kys h ALA 32 Cb 1.32 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 2kys h ALA 32 CO -0.30 1.03 0.64 1.96 0.00 0.00 0.00 179.25 182.58 2kys h GLN 33 N 0.06 0.45 0.04 0.00 1.08 0.68 0.48 115.11 117.90 2kys h GLN 33 Ca -0.05 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2kys h GLN 33 Cb 1.69 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 29.02 2kys h GLN 33 CO 0.15 0.30 -0.02 0.00 -0.95 0.00 0.00 178.83 178.30 2kys n VAL 35 N -4.75 0.12 -0.09 0.00 3.14 -0.70 -1.11 118.33 114.94 2kys n VAL 35 Ca -0.07 0.03 -0.12 0.00 -2.96 0.00 0.00 64.34 61.22 2kys n VAL 35 Cb 0.31 -0.60 -0.15 0.00 -1.06 0.00 0.00 33.84 32.34 2kys n VAL 35 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kys n GLN 36 N -1.20 0.68 -0.01 1.45 -0.00 0.08 -4.68 117.38 113.70 2kys n GLN 36 Ca 0.15 0.06 -0.08 0.00 -0.00 0.00 0.00 57.00 57.13 2kys n GLN 36 Cb 0.17 -1.55 -0.13 0.00 -0.00 0.00 0.00 30.24 28.73 2kys n GLN 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2kys h LEU 37 N 0.00 0.00 -0.41 2.61 6.46 -0.98 -2.98 115.31 120.01 2kys h LEU 37 Ca -0.53 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.30 2kys h LEU 37 Cb 2.15 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 42.02 2kys h LEU 37 CO 0.01 0.98 0.04 -0.74 -0.62 0.00 0.00 178.44 178.11 2kys h HIS 38 N 0.00 0.05 -0.83 1.25 2.76 -1.44 -1.75 115.15 115.19 2kys h HIS 38 Ca -0.24 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.93 2kys h HIS 38 Cb 1.96 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 30.92 2kys h HIS 38 CO 0.00 -0.04 0.42 -0.91 -1.30 0.00 0.00 177.93 176.10 2kys h ASN 39 N 0.16 1.07 0.14 3.26 2.35 -1.83 -2.55 115.58 118.18 2kys h ASN 39 Ca 0.20 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2kys h ASN 39 Cb 0.27 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2kys h ASN 39 CO -0.30 0.89 0.00 0.47 -1.65 0.00 0.00 177.43 176.84 2kys n ASP 40 N -4.32 0.00 -0.01 5.81 8.00 -0.67 -1.63 116.55 123.73 2kys n ASP 40 Ca 0.08 0.03 -0.17 0.00 0.71 0.00 0.00 54.79 55.45 2kys n ASP 40 Cb 0.13 -0.22 -0.13 0.00 -0.02 0.00 0.00 41.12 40.88 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 1.60 0.00 0.53 1.08 -1.32 -2.36 117.51 117.04 2kys h ILE 41 Ca 0.00 -2.28 -0.12 0.00 -0.39 0.00 0.00 64.86 62.06 2kys h ILE 41 Cb 0.07 3.10 -0.02 0.00 -3.07 0.00 0.00 36.82 36.90 2kys h ILE 41 CO 0.00 0.63 -0.58 -0.07 -0.69 0.00 0.00 178.15 177.43 2kys h LEU 42 N -0.58 0.00 -2.82 1.44 -0.00 -1.47 -2.88 115.31 109.00 2kys h LEU 42 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 2kys h LEU 42 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 2kys h LEU 42 CO 0.08 0.58 0.00 0.18 -0.00 0.00 0.00 178.44 179.28 2kys n LEU 43 N -3.68 4.35 0.00 1.67 4.77 -0.65 -4.94 117.00 118.52 2kys n LEU 43 Ca -0.01 -2.20 -0.25 0.00 -0.03 0.00 0.00 56.01 53.53 2kys n LEU 43 Cb 0.62 -0.56 0.21 0.00 -2.33 0.00 0.00 43.42 41.35 2kys n LEU 43 CO 0.41 0.68 0.55 0.00 -1.33 0.00 0.00 177.39 177.69 2kys n ALA 44 N 0.85 -2.64 0.03 -1.18 0.00 -0.89 -4.93 120.51 111.76 2kys n ALA 44 Ca 0.22 -1.39 -0.06 0.00 0.00 0.00 0.00 53.44 52.22 2kys n ALA 44 Cb 0.84 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 20.16 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 0.00 -0.18 -4.78 0.00 1.79 -1.88 -3.49 116.57 108.02 2kys h LYS 45 Ca -0.35 0.01 -0.36 0.00 -2.18 0.00 0.00 60.65 57.78 2kys h LYS 45 Cb 1.05 0.04 -0.14 0.00 -1.58 0.00 0.00 32.23 31.60 2kys h LYS 45 CO 0.23 0.09 -0.57 -0.51 -1.08 0.00 0.00 179.45 177.61 2kys s ASP 46 N -5.46 1.04 0.09 0.86 1.01 -1.26 -5.02 116.67 107.93 2kys s ASP 46 Ca -0.07 -1.52 -0.32 0.00 0.71 0.00 0.00 52.55 51.35 2kys s ASP 46 Cb -0.00 0.40 -0.14 0.00 1.01 0.00 0.00 42.92 44.18 2kys s ASP 46 CO 0.26 -0.89 1.61 0.74 0.21 0.00 0.00 175.17 177.10 2kys h THR 47 N 2.36 0.26 0.45 -1.27 2.02 -1.96 -0.36 112.91 114.41 2kys h THR 47 Ca -0.33 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 2kys h THR 47 Cb 1.25 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2kys h THR 47 CO 0.50 0.00 -0.22 0.00 0.37 0.00 0.00 175.52 176.17 2kys h THR 48 N -0.79 0.56 0.00 3.16 1.03 -2.00 -2.87 112.91 112.00 2kys h THR 48 Ca -0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.33 2kys h THR 48 Cb 0.69 0.57 0.00 0.00 -1.07 0.00 0.00 68.15 68.34 2kys h THR 48 CO -0.02 0.01 0.00 -0.08 -0.01 0.00 0.00 175.52 175.41 2kys h GLU 49 N -0.62 0.00 0.50 0.00 4.57 -1.95 -1.48 114.58 115.60 2kys h GLU 49 Ca -0.06 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2kys h GLU 49 Cb 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2kys h GLU 49 CO 0.10 0.00 -0.24 0.00 -1.18 0.00 0.00 179.01 177.69 2kys h ALA 50 N 2.04 -0.79 0.00 2.92 0.00 -0.82 -3.32 119.26 119.29 2kys h ALA 50 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2kys h ALA 50 Cb 0.18 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2kys h ALA 50 CO 0.00 -0.74 -0.26 0.27 0.00 0.00 0.00 179.25 178.52 2kys h PHE 51 N -1.00 0.00 0.00 0.00 -0.00 -1.44 -2.99 116.94 111.50 2kys h PHE 51 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.90 2kys h PHE 51 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.47 2kys h PHE 51 CO 0.03 0.26 0.02 0.39 -0.00 0.00 0.00 178.31 179.01 2kys n GLU 52 N -3.38 0.08 -0.06 6.09 -0.58 -0.61 -0.84 120.64 121.35 2kys n GLU 52 Ca 0.00 0.58 -0.01 0.00 -0.42 0.00 0.00 57.16 57.31 2kys n GLU 52 Cb 0.47 -1.79 -0.16 0.00 -0.57 0.00 0.00 31.44 29.39 2kys n GLU 52 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2kys n LYS 53 N -1.95 0.68 -0.05 3.49 2.85 -1.13 -4.19 118.16 117.86 2kys n LYS 53 Ca -0.01 -0.08 -0.08 0.00 -1.05 0.00 0.00 58.31 57.09 2kys n LYS 53 Cb 0.04 -1.53 0.09 0.00 -0.65 0.00 0.00 35.03 32.99 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 0.00 0.68 -0.13 -1.58 -0.00 -1.09 -2.44 114.93 110.37 2kys h MET 54 Ca -0.31 -0.31 0.02 0.00 -0.00 0.00 0.00 59.70 59.10 2kys h MET 54 Cb 1.71 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 33.29 2kys h MET 54 CO 0.02 0.91 0.09 -0.39 -0.00 0.00 0.00 176.91 177.54 2kys h VAL 55 N 0.58 0.98 -0.20 -0.10 -1.51 -1.66 0.10 116.25 114.43 2kys h VAL 55 Ca 0.07 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.51 2kys h VAL 55 Cb 0.82 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 2kys h VAL 55 CO 0.07 0.02 0.00 -1.20 -1.23 0.00 0.00 177.57 175.22 2kys n SER 56 N -4.51 1.30 -0.05 4.19 7.64 -0.93 -3.88 113.62 117.37 2kys n SER 56 Ca -0.00 -1.86 -0.08 0.00 1.01 0.00 0.00 58.87 57.93 2kys n SER 56 Cb 0.15 -0.14 -0.04 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.16 1.75 0.00 -3.43 0.00 -0.05 -4.61 117.00 110.80 2kys n LEU 57 Ca 0.11 0.04 0.02 0.00 0.00 0.00 0.00 56.01 56.18 2kys n LEU 57 Cb 0.23 -0.30 0.09 0.00 0.00 0.00 0.00 43.42 43.44 2kys n LEU 57 CO 0.08 0.41 0.26 0.00 0.00 0.00 0.00 177.39 178.14 2kys n LEU 58 N -3.12 0.00 0.00 -1.96 -0.00 -0.74 -1.45 117.00 109.73 2kys n LEU 58 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 2kys n LEU 58 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 2kys n LEU 58 CO 0.05 0.00 0.04 -0.24 -0.00 0.00 0.00 177.39 177.23 2kys n SER 59 N -0.68 0.14 -0.07 1.45 2.88 -1.26 -4.58 113.62 111.51 2kys n SER 59 Ca 0.02 -0.48 -0.05 0.00 -1.33 0.00 0.00 58.87 57.03 2kys n SER 59 Cb 0.01 0.55 -0.02 0.00 -0.75 0.00 0.00 64.21 64.00 2kys n SER 59 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2kys h VAL 60 N 0.06 0.09 -0.25 2.46 2.07 -1.50 -3.37 116.25 115.81 2kys h VAL 60 Ca 0.00 -1.11 -0.19 0.00 0.82 0.00 0.00 66.70 66.22 2kys h VAL 60 Cb 0.03 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2kys h VAL 60 CO 0.00 0.03 -0.59 -0.07 0.02 0.00 0.00 177.57 176.96 2kys h LEU 61 N -1.00 0.92 -1.32 2.57 3.38 -1.86 -2.70 115.31 115.30 2kys h LEU 61 Ca -0.03 -0.51 0.07 0.00 0.09 0.00 0.00 57.88 57.50 2kys h LEU 61 Cb 0.51 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2kys h LEU 61 CO -0.02 1.30 0.51 -0.07 0.09 0.00 0.00 178.44 180.25 2kys h LEU 62 N 0.61 0.71 -0.89 1.67 3.38 -1.81 0.16 115.31 119.15 2kys h LEU 62 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kys h LEU 62 Cb 1.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2kys h LEU 62 CO 0.13 0.46 0.00 -0.24 0.09 0.00 0.00 178.44 178.87 2kys n SER 63 N -4.49 0.57 0.00 -0.43 2.88 -1.02 -1.19 113.62 109.95 2kys n SER 63 Ca 0.12 -1.29 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 2kys n SER 63 Cb 0.24 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 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 0.10 0.00 0.00 -1.46 0.00 0.53 -5.00 117.12 111.29 2kys n MET 64 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.67 2kys n MET 64 Cb 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 33.22 32.93 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 0.00 0.56 -3.59 3.17 10.64 -0.77 -4.95 117.38 122.43 2kys n GLN 65 Ca 0.00 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 54.92 2kys n GLN 65 Cb 0.27 -0.20 0.05 0.00 -0.86 0.00 0.00 30.24 29.49 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 -0.08 -0.85 3.80 2.61 0.00 -0.33 -4.97 105.19 105.38 2kys n GLY 66 Ca 0.00 0.40 -0.34 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.51 2.87 -0.16 4.61 0.00 -1.26 -5.00 121.76 119.30 2kys s ALA 67 Ca 0.35 0.53 -0.25 0.00 0.00 0.00 0.00 51.96 52.59 2kys s ALA 67 Cb -0.10 -3.23 -0.23 0.00 0.00 0.00 0.00 23.12 19.55 2kys s ALA 67 CO 0.82 -0.38 0.55 -0.39 0.00 0.00 0.00 175.76 176.35 2kys h VAL 68 N 1.31 1.41 0.00 0.00 -1.51 -1.93 -3.42 116.25 112.12 2kys h VAL 68 Ca -0.49 -2.29 0.00 0.00 -1.23 0.00 0.00 66.70 62.69 2kys h VAL 68 Cb 1.22 2.90 0.00 0.00 -2.13 0.00 0.00 31.29 33.28 2kys h VAL 68 CO 0.59 0.50 0.00 0.47 -1.23 0.00 0.00 177.57 177.90 2kys n ASP 69 N -4.50 0.89 0.19 4.19 9.92 -1.26 -4.30 116.55 121.68 2kys n ASP 69 Ca -0.19 -1.95 0.04 0.00 -0.53 0.00 0.00 54.79 52.16 2kys n ASP 69 Cb 0.59 -0.44 0.44 0.00 -0.64 0.00 0.00 41.12 41.06 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 1.17 0.00 0.53 6.09 -1.94 -1.05 117.51 122.32 2kys h ILE 70 Ca 0.00 -0.80 -0.01 0.00 -1.37 0.00 0.00 64.86 62.68 2kys h ILE 70 Cb 0.44 1.37 -0.00 0.00 0.47 0.00 0.00 36.82 39.11 2kys h ILE 70 CO 0.00 0.23 -0.05 0.78 -3.07 0.00 0.00 178.15 176.04 2kys h ASN 71 N 0.06 0.00 0.25 2.19 -0.26 -1.97 -3.31 115.58 112.55 2kys h ASN 71 Ca 0.01 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 2kys h ASN 71 Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 2kys h ASN 71 CO 0.03 0.05 -0.12 0.03 -1.06 0.00 0.00 177.43 176.36 2kys h ARG 72 N 0.00 -0.33 -0.05 0.81 -0.00 -1.51 -1.35 114.38 111.95 2kys h ARG 72 Ca -0.00 0.02 -0.03 0.00 -0.50 0.00 0.00 59.98 59.47 2kys h ARG 72 Cb 0.74 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.77 2kys h ARG 72 CO 0.01 -0.09 -0.12 1.37 0.00 0.00 0.00 179.97 181.13 2kys h LEU 73 N -0.52 0.06 -0.50 3.04 -0.00 -1.71 -2.69 115.31 112.99 2kys h LEU 73 Ca -0.03 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 2kys h LEU 73 Cb 0.39 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.01 2kys h LEU 73 CO 0.06 0.20 0.22 0.00 -0.00 0.00 0.00 178.44 178.92 2kys n GLU 75 N -4.58 0.17 0.00 0.00 1.02 -0.57 -0.98 120.64 115.70 2kys n GLU 75 Ca 0.02 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 2kys n GLU 75 Cb 0.13 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 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 -2.05 0.00 -0.05 3.49 2.13 -1.04 -4.09 120.64 119.04 2kys n GLU 76 Ca 0.04 0.40 -0.02 0.00 0.66 0.00 0.00 57.16 58.24 2kys n GLU 76 Cb 0.31 -1.02 0.23 0.00 0.27 0.00 0.00 31.44 31.23 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 0.00 0.64 -0.71 5.31 -0.00 -1.16 -0.56 114.93 118.45 2kys h MET 77 Ca 0.00 -0.16 -0.03 0.00 -0.00 0.00 0.00 59.70 59.51 2kys h MET 77 Cb 0.00 -0.08 -0.03 0.00 -0.00 0.00 0.00 31.60 31.49 2kys h MET 77 CO 0.00 0.68 0.31 1.25 -0.00 0.00 0.00 176.91 179.14 2kys h LEU 78 N 0.60 0.94 -0.20 -0.10 6.46 -1.31 -2.67 115.31 119.04 2kys h LEU 78 Ca 0.12 -0.12 -0.22 0.00 -0.12 0.00 0.00 57.88 57.54 2kys h LEU 78 Cb 0.41 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.10 2kys h LEU 78 CO 0.02 0.82 -0.93 -0.78 -0.62 0.00 0.00 178.44 176.95 2kys h ASP 79 N 1.02 0.46 0.78 1.25 3.58 -1.39 -3.28 116.42 118.84 2kys h ASP 79 Ca 0.24 -0.37 -0.14 0.00 0.42 0.00 0.00 57.03 57.19 2kys h ASP 79 Cb 0.16 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2kys h ASP 79 CO -0.03 1.17 -0.65 0.78 -2.88 0.00 0.00 179.24 177.63 2kys h ASN 80 N 0.19 0.00 0.39 2.28 2.35 -0.94 -0.13 115.58 119.73 2kys h ASN 80 Ca -0.07 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 2kys h ASN 80 Cb 1.57 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.93 2kys h ASN 80 CO 0.16 0.65 -0.17 0.08 -1.65 0.00 0.00 177.43 176.50 2kys h ARG 81 N 0.00 0.00 -0.01 0.81 -0.00 -1.56 -3.04 114.38 110.58 2kys h ARG 81 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 2kys h ARG 81 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.19 2kys h ARG 81 CO 0.08 0.17 -0.02 0.00 -0.00 0.00 0.00 179.97 180.20 2kys n ALA 82 N -2.32 2.64 -0.05 0.08 0.00 -0.09 -3.77 120.51 117.00 2kys n ALA 82 Ca -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 53.44 53.03 2kys n ALA 82 Cb 0.28 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 2kys n ALA 82 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kys n THR 83 N -0.31 1.13 1.23 0.00 5.66 -1.01 -4.49 114.28 116.49 2kys n THR 83 Ca 0.20 -0.76 0.12 0.00 -3.05 0.00 0.00 64.05 60.56 2kys n THR 83 Cb 0.27 -0.50 0.63 0.00 -1.55 0.00 0.00 70.33 69.18 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 -2.72 0.00 0.00 1.09 4.32 -1.25 -5.15 117.00 113.29 2kys n LEU 84 Ca -0.21 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 2kys n LEU 84 Cb 0.98 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 42.58 2kys n LEU 84 CO 0.44 -0.05 0.08 0.00 -1.22 0.00 0.00 177.39 176.64