#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 2.71 0.12 1.61 5.65 -1.26 -5.00 115.29 119.11 2kys s HIS 2 Ca 0.00 -0.78 -0.30 0.00 0.25 0.00 0.00 55.06 54.23 2kys s HIS 2 Cb 0.00 -4.43 -0.07 0.00 -1.18 0.00 0.00 32.58 26.90 2kys s HIS 2 CO 0.00 -1.74 1.15 -1.12 -0.65 0.00 0.00 174.74 172.39 2kys s SER 3 N 3.97 7.16 0.00 9.88 0.01 -1.26 -4.94 113.70 128.51 2kys s SER 3 Ca 0.33 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.64 2kys s SER 3 Cb -0.08 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2kys s SER 3 CO 0.01 -0.36 0.00 2.29 0.41 0.00 0.00 173.24 175.59 2kys n LYS 4 N 3.16 0.00 -3.15 12.44 -0.00 -1.26 -5.08 118.16 124.28 2kys n LYS 4 Ca 0.06 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.41 2kys n LYS 4 Cb 0.46 -0.58 -0.01 0.00 -0.00 0.00 0.00 35.03 34.91 2kys n LYS 4 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 2kys s MET 5 N -1.94 0.53 -0.25 -1.58 1.75 -1.26 -5.04 119.30 111.51 2kys s MET 5 Ca 0.00 0.89 0.11 0.00 -1.25 0.00 0.00 55.69 55.44 2kys s MET 5 Cb 0.00 0.49 0.45 0.00 2.84 0.00 0.00 34.83 38.61 2kys s MET 5 CO 0.00 -0.62 1.19 0.43 -0.65 0.00 0.00 175.02 175.37 2kys n SER 6 N 5.43 3.45 -3.73 1.11 7.64 -1.26 -4.98 113.62 121.28 2kys n SER 6 Ca -0.01 -3.56 -0.22 0.00 1.01 0.00 0.00 58.87 56.09 2kys n SER 6 Cb 0.52 -0.41 0.03 0.00 -1.01 0.00 0.00 64.21 63.34 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 -0.77 -1.56 -4.44 6.43 9.92 -1.26 -4.56 116.55 120.32 2kys n ASP 7 Ca 0.31 -0.82 -0.43 0.00 -0.53 0.00 0.00 54.79 53.32 2kys n ASP 7 Cb 0.88 -4.02 0.00 0.00 -0.64 0.00 0.00 41.12 37.33 2kys n ASP 7 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2kys n VAL 8 N -4.33 4.10 0.87 2.53 0.31 -1.26 -4.69 118.33 115.86 2kys n VAL 8 Ca -0.26 -4.38 0.09 0.00 -0.01 0.00 0.00 64.34 59.79 2kys n VAL 8 Cb 0.66 -2.42 -0.02 0.00 -0.91 0.00 0.00 33.84 31.15 2kys n VAL 8 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2kys n LYS 9 N 6.65 1.37 -1.58 5.55 0.00 -1.26 -5.07 118.16 123.82 2kys n LYS 9 Ca 0.43 -0.79 0.00 0.00 -0.00 0.00 0.00 58.31 57.95 2kys n LYS 9 Cb 0.43 -1.38 0.00 0.00 -0.00 0.00 0.00 35.03 34.08 2kys n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kys s THR 11 N -5.35 0.00 0.21 0.00 -1.32 -1.26 -5.14 115.64 102.77 2kys s THR 11 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2kys s THR 11 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2kys s THR 11 CO 0.00 0.00 0.00 -0.24 -2.21 0.00 0.00 174.62 172.17 2kys n SER 12 N 0.06 -4.24 -0.00 8.08 2.88 -1.26 -4.75 113.62 114.39 2kys n SER 12 Ca -0.11 0.40 0.02 0.00 -1.33 0.00 0.00 58.87 57.85 2kys n SER 12 Cb 0.61 -2.77 -0.03 0.00 -0.75 0.00 0.00 64.21 61.27 2kys n SER 12 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2kys n VAL 13 N -2.77 0.00 -0.13 2.46 0.24 -1.26 -4.54 118.33 112.33 2kys n VAL 13 Ca -0.01 -0.33 0.13 0.00 -2.04 0.00 0.00 64.34 62.10 2kys n VAL 13 Cb 0.59 0.86 0.49 0.00 -1.47 0.00 0.00 33.84 34.31 2kys n VAL 13 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2kys h VAL 14 N 0.00 0.85 0.11 3.34 2.07 -1.99 0.67 116.25 121.31 2kys h VAL 14 Ca 0.00 -0.15 -0.31 0.00 0.82 0.00 0.00 66.70 67.06 2kys h VAL 14 Cb 0.13 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2kys h VAL 14 CO 0.00 0.08 -1.63 0.17 0.02 0.00 0.00 177.57 176.21 2kys h LEU 15 N 0.43 0.37 -1.03 2.57 -0.00 -1.86 -3.39 115.31 112.41 2kys h LEU 15 Ca 0.32 -0.85 -0.08 0.00 -0.00 0.00 0.00 57.88 57.27 2kys h LEU 15 Cb 0.67 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 2kys h LEU 15 CO -0.10 1.71 -0.16 -0.07 -0.00 0.00 0.00 178.44 179.82 2kys h LEU 16 N -0.22 0.49 -1.61 0.17 -0.00 -1.50 -2.41 115.31 110.24 2kys h LEU 16 Ca -0.36 -0.14 -0.03 0.00 -0.00 0.00 0.00 57.88 57.36 2kys h LEU 16 Cb 1.83 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 42.36 2kys h LEU 16 CO 0.05 0.68 -0.13 0.28 -0.00 0.00 0.00 178.44 179.31 2kys h SER 17 N 0.46 0.00 0.42 -0.43 0.02 -1.13 0.08 113.55 112.97 2kys h SER 17 Ca 0.08 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 2kys h SER 17 Cb 0.55 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2kys h SER 17 CO 0.04 0.13 -0.27 0.58 -1.14 0.00 0.00 176.83 176.16 2kys h VAL 18 N 0.00 0.98 0.02 2.27 2.07 -1.61 -3.22 116.25 116.76 2kys h VAL 18 Ca -0.00 -1.01 -0.19 0.00 0.82 0.00 0.00 66.70 66.32 2kys h VAL 18 Cb 0.50 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2kys h VAL 18 CO 0.02 0.27 -1.02 -0.07 0.02 0.00 0.00 177.57 176.79 2kys h LEU 19 N 0.00 0.06 -2.40 2.57 3.38 -1.01 -3.33 115.31 114.59 2kys h LEU 19 Ca -0.00 -0.68 -0.00 0.00 0.09 0.00 0.00 57.88 57.29 2kys h LEU 19 Cb 0.56 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2kys h LEU 19 CO 0.04 1.41 -0.02 0.06 0.09 0.00 0.00 178.44 180.01 2kys h GLN 20 N -0.88 0.00 0.00 1.13 3.07 -1.58 -0.26 115.11 116.59 2kys h GLN 20 Ca -0.27 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.42 2kys h GLN 20 Cb 1.32 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.87 2kys h GLN 20 CO -0.12 0.02 -0.27 -0.56 0.09 0.00 0.00 178.83 177.99 2kys h GLN 21 N 0.00 0.00 -0.07 0.06 3.07 -1.66 -3.30 115.11 113.21 2kys h GLN 21 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2kys h GLN 21 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.75 2kys h GLN 21 CO 0.00 0.27 0.00 1.28 0.09 0.00 0.00 178.83 180.47 2kys n LEU 22 N -3.46 2.05 -1.85 0.06 7.99 -0.22 -5.01 117.00 116.57 2kys n LEU 22 Ca -0.00 -1.83 -0.09 0.00 -0.01 0.00 0.00 56.01 54.07 2kys n LEU 22 Cb 0.44 -0.05 0.03 0.00 -0.11 0.00 0.00 43.42 43.74 2kys n LEU 22 CO 0.34 0.51 0.09 0.54 -1.51 0.00 0.00 177.39 177.36 2kys n ARG 23 N -0.20 -3.15 -1.46 3.23 3.00 -0.56 -4.92 116.66 112.61 2kys n ARG 23 Ca 0.03 0.35 -0.40 0.00 -0.01 0.00 0.00 57.85 57.81 2kys n ARG 23 Cb 0.25 -3.90 0.02 0.00 0.00 0.00 0.00 32.46 28.84 2kys n ARG 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2kys n VAL 24 N -3.18 1.93 -2.18 1.55 0.31 -1.17 -4.80 118.33 110.80 2kys n VAL 24 Ca -0.03 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.49 2kys n VAL 24 Cb 0.54 -0.61 -0.05 0.00 -0.91 0.00 0.00 33.84 32.81 2kys n VAL 24 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2kys s GLU 25 N -1.82 2.82 0.05 5.55 2.02 -1.26 -4.76 118.70 121.30 2kys s GLU 25 Ca 0.66 -1.15 0.07 0.00 0.02 0.00 0.00 54.97 54.57 2kys s GLU 25 Cb -0.51 -5.27 0.33 0.00 0.10 0.00 0.00 34.13 28.78 2kys s GLU 25 CO 0.57 -3.49 1.22 -1.13 0.02 0.00 0.00 175.26 172.45 2kys n SER 26 N 13.00 0.10 -0.47 -0.19 3.41 -1.26 -2.08 113.62 126.14 2kys n SER 26 Ca 0.44 0.54 0.06 0.00 -0.26 0.00 0.00 58.87 59.65 2kys n SER 26 Cb 0.47 -0.56 0.14 0.00 -0.26 0.00 0.00 64.21 64.01 2kys n SER 26 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2kys n SER 27 N -1.63 2.88 -3.81 4.04 7.64 -1.26 -4.90 113.62 116.57 2kys n SER 27 Ca 0.01 -2.45 -0.16 0.00 1.01 0.00 0.00 58.87 57.27 2kys n SER 27 Cb 0.05 -0.30 -0.09 0.00 -1.01 0.00 0.00 64.21 62.87 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 -1.56 1.05 0.39 6.43 0.15 -0.88 -5.04 113.70 114.23 2kys s SER 28 Ca 0.24 -1.57 0.12 0.00 0.70 0.00 0.00 55.95 55.44 2kys s SER 28 Cb 0.18 0.45 0.92 0.00 -1.71 0.00 0.00 66.02 65.87 2kys s SER 28 CO 0.08 -0.94 1.89 0.07 1.20 0.00 0.00 173.24 175.54 2kys h LYS 29 N 2.34 0.55 -0.41 5.44 -0.00 -1.97 -3.13 116.57 119.40 2kys h LYS 29 Ca -0.31 -0.03 0.02 0.00 -0.00 0.00 0.00 60.65 60.33 2kys h LYS 29 Cb 1.24 -0.12 -0.03 0.00 -0.00 0.00 0.00 32.23 33.32 2kys h LYS 29 CO 0.46 0.36 0.24 1.25 -0.00 0.00 0.00 179.45 181.76 2kys h LEU 30 N 0.57 0.38 -1.65 7.07 5.85 -1.97 0.10 115.31 125.66 2kys h LEU 30 Ca 0.42 0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.28 2kys h LEU 30 Cb 0.81 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 2kys h LEU 30 CO -0.17 0.27 0.45 -0.25 -0.34 0.00 0.00 178.44 178.40 2kys h TRP 31 N 0.48 0.42 0.00 1.25 7.01 -1.56 0.29 115.95 123.83 2kys h TRP 31 Ca 0.16 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.13 2kys h TRP 31 Cb 0.01 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 2kys h TRP 31 CO -0.07 0.17 -0.62 0.00 -2.79 0.00 0.00 178.44 175.13 2kys h ALA 32 N 1.67 0.73 -0.22 2.65 0.00 -1.34 -3.31 119.26 119.44 2kys h ALA 32 Ca 0.32 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2kys h ALA 32 Cb 0.75 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2kys h ALA 32 CO -0.09 0.28 0.32 1.96 0.00 0.00 0.00 179.25 181.73 2kys h GLN 33 N 0.00 0.00 0.00 0.00 1.08 0.14 -2.68 115.11 113.65 2kys h GLN 33 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2kys h GLN 33 Cb 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 2kys h GLN 33 CO 0.02 0.00 -0.44 0.00 -0.95 0.00 0.00 178.83 177.46 2kys h VAL 35 N -0.70 1.36 -0.46 0.00 2.07 -1.57 0.12 116.25 117.07 2kys h VAL 35 Ca 0.00 -1.80 -0.10 0.00 0.82 0.00 0.00 66.70 65.62 2kys h VAL 35 Cb 0.44 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 2kys h VAL 35 CO 0.00 0.53 -0.13 0.06 0.02 0.00 0.00 177.57 178.05 2kys h GLN 36 N 0.15 0.85 0.00 1.57 -0.00 -1.75 -3.25 115.11 112.68 2kys h GLN 36 Ca 0.00 -0.30 -0.07 0.00 -0.00 0.00 0.00 58.65 58.29 2kys h GLN 36 Cb 0.98 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 28.38 2kys h GLN 36 CO 0.08 0.93 -0.31 1.25 -0.00 0.00 0.00 178.83 180.77 2kys h LEU 37 N 0.76 0.00 0.08 0.06 5.85 -1.07 -2.84 115.31 118.15 2kys h LEU 37 Ca 0.12 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2kys h LEU 37 Cb 0.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2kys h LEU 37 CO 0.04 0.31 -0.04 -0.74 -0.34 0.00 0.00 178.44 177.68 2kys h HIS 38 N 0.00 -0.09 -0.82 1.25 2.76 -1.02 -3.07 115.15 114.15 2kys h HIS 38 Ca -0.00 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.17 2kys h HIS 38 Cb 1.13 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 30.08 2kys h HIS 38 CO 0.00 -0.02 0.55 -0.91 -1.30 0.00 0.00 177.93 176.25 2kys h ASN 39 N -0.14 0.94 0.47 3.26 2.35 -1.56 -2.26 115.58 118.64 2kys h ASN 39 Ca -0.01 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2kys h ASN 39 Cb 0.12 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2kys h ASN 39 CO 0.02 0.68 0.00 0.47 -1.65 0.00 0.00 177.43 176.95 2kys n ASP 40 N -4.51 0.00 0.09 5.81 8.00 -1.09 -1.72 116.55 123.13 2kys n ASP 40 Ca 0.08 0.44 -0.04 0.00 0.71 0.00 0.00 54.79 55.98 2kys n ASP 40 Cb 0.01 -0.47 -0.02 0.00 -0.02 0.00 0.00 41.12 40.62 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 -1.31 -2.00 117.51 115.81 2kys h ILE 41 Ca 0.00 -0.42 -0.02 0.00 -0.39 0.00 0.00 64.86 64.03 2kys h ILE 41 Cb 0.23 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.98 2kys h ILE 41 CO 0.00 0.00 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.31 2kys h LEU 42 N -0.72 0.00 0.00 1.44 3.38 -1.39 -2.46 115.31 115.57 2kys h LEU 42 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kys h LEU 42 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2kys h LEU 42 CO 0.05 0.08 -0.25 -0.07 0.09 0.00 0.00 178.44 178.34 2kys h LEU 43 N 0.00 0.00 0.00 1.67 4.07 -1.59 -3.47 115.31 115.99 2kys h LEU 43 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2kys h LEU 43 Cb 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 2kys h LEU 43 CO 0.01 0.59 0.00 0.00 -1.08 0.00 0.00 178.44 177.96 2kys n ALA 44 N -3.16 0.00 0.06 1.53 0.00 -0.75 -4.82 120.51 113.37 2kys n ALA 44 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kys n ALA 44 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2kys n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kys n LYS 45 N 0.00 0.00 -4.54 0.00 5.02 -1.26 -5.03 118.16 112.35 2kys n LYS 45 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 2kys n LYS 45 Cb 0.00 -0.18 -0.11 0.00 -0.02 0.00 0.00 35.03 34.72 2kys n LYS 45 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kys s ASP 46 N -5.18 3.41 0.09 4.39 1.01 -1.26 -5.05 116.67 114.08 2kys s ASP 46 Ca 0.00 -1.31 -0.24 0.00 0.71 0.00 0.00 52.55 51.71 2kys s ASP 46 Cb 0.00 -0.30 -0.15 0.00 1.01 0.00 0.00 42.92 43.48 2kys s ASP 46 CO 0.00 -0.41 1.72 0.74 0.21 0.00 0.00 175.17 177.44 2kys h THR 47 N 1.96 0.90 -0.22 -1.27 2.02 -1.99 -2.51 112.91 111.82 2kys h THR 47 Ca -0.42 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.78 2kys h THR 47 Cb 1.24 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 2kys h THR 47 CO 0.75 0.00 0.05 0.00 0.37 0.00 0.00 175.52 176.69 2kys h THR 48 N -0.11 0.92 0.00 3.16 1.03 -2.01 -2.33 112.91 113.57 2kys h THR 48 Ca -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.34 2kys h THR 48 Cb 0.10 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 67.94 2kys h THR 48 CO 0.01 0.03 0.00 1.21 -0.01 0.00 0.00 175.52 176.75 2kys n GLU 49 N -5.07 0.57 0.00 0.00 4.07 -1.12 -0.67 120.64 118.42 2kys n GLU 49 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 2kys n GLU 49 Cb 0.09 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.97 2kys n GLU 49 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kys n ALA 50 N -1.01 -0.07 0.25 4.31 0.00 -0.88 -4.28 120.51 118.83 2kys n ALA 50 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.70 2kys n ALA 50 Cb 0.07 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.10 2kys n ALA 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kys h PHE 51 N 0.00 0.00 -0.57 0.00 -5.15 -1.43 -1.90 116.94 107.89 2kys h PHE 51 Ca 0.00 0.00 0.16 0.00 -0.20 0.00 0.00 57.97 57.93 2kys h PHE 51 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.15 2kys h PHE 51 CO 0.03 0.14 0.41 0.93 -2.00 0.00 0.00 178.31 177.82 2kys h GLU 52 N 0.00 0.01 -0.18 6.09 5.08 -1.12 -0.15 114.58 124.31 2kys h GLU 52 Ca -0.00 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2kys h GLU 52 Cb 0.60 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2kys h GLU 52 CO 0.02 0.01 -0.21 0.87 -1.00 0.00 0.00 179.01 178.70 2kys h LYS 53 N 0.01 0.46 -0.31 2.33 1.57 -1.52 -3.28 116.57 115.83 2kys h LYS 53 Ca 0.27 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2kys h LYS 53 Cb 1.06 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 2kys h LYS 53 CO -0.01 0.83 -0.19 0.00 -0.57 0.00 0.00 179.45 179.52 2kys h MET 54 N 0.12 0.58 0.00 3.15 -0.00 -1.16 -1.24 114.93 116.37 2kys h MET 54 Ca 0.03 -0.20 0.00 0.00 -0.00 0.00 0.00 59.70 59.52 2kys h MET 54 Cb 0.76 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.32 2kys h MET 54 CO 0.05 0.74 0.00 0.28 -0.00 0.00 0.00 176.91 177.98 2kys n VAL 55 N -4.15 0.91 -1.07 -0.10 0.31 -0.74 -1.24 118.33 112.26 2kys n VAL 55 Ca 0.00 0.46 0.03 0.00 -0.01 0.00 0.00 64.34 64.82 2kys n VAL 55 Cb 0.38 -1.42 0.28 0.00 -0.91 0.00 0.00 33.84 32.17 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 -2.27 4.10 0.00 4.52 7.64 -0.48 -4.42 113.62 122.70 2kys n SER 56 Ca 0.00 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.72 2kys n SER 56 Cb 0.14 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 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 -0.40 0.80 0.00 -3.43 0.00 -0.37 -4.73 117.00 108.87 2kys n LEU 57 Ca 0.28 0.00 0.02 0.00 0.00 0.00 0.00 56.01 56.31 2kys n LEU 57 Cb 1.06 0.00 0.10 0.00 0.00 0.00 0.00 43.42 44.58 2kys n LEU 57 CO 0.24 0.05 0.46 0.00 0.00 0.00 0.00 177.39 178.14 2kys n LEU 58 N -2.64 0.00 0.00 -1.96 -0.00 -0.66 -2.59 117.00 109.15 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 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 2kys n LEU 58 CO 0.00 0.00 -0.41 -0.24 -0.00 0.00 0.00 177.39 176.74 2kys n SER 59 N -0.57 2.20 -0.18 1.45 2.88 -1.26 -4.70 113.62 113.44 2kys n SER 59 Ca 0.03 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.53 2kys n SER 59 Cb 0.01 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.54 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 0.91 -0.28 2.46 3.04 -1.79 -2.38 116.25 118.20 2kys h VAL 60 Ca 0.00 -0.17 -0.00 0.00 -1.01 0.00 0.00 66.70 65.52 2kys h VAL 60 Cb 0.82 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.47 2kys h VAL 60 CO 0.00 0.09 0.17 -0.07 -1.01 0.00 0.00 177.57 176.75 2kys h LEU 61 N 0.48 0.34 -1.73 3.16 -0.00 -1.83 -2.72 115.31 113.02 2kys h LEU 61 Ca 0.25 -0.05 0.06 0.00 -0.00 0.00 0.00 57.88 58.14 2kys h LEU 61 Cb 0.20 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 2kys h LEU 61 CO -0.20 0.29 0.30 -0.07 -0.00 0.00 0.00 178.44 178.76 2kys h LEU 62 N 0.36 0.30 0.00 1.67 3.38 -1.71 0.11 115.31 119.42 2kys h LEU 62 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2kys h LEU 62 Cb 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2kys h LEU 62 CO -0.02 0.19 0.00 -0.24 0.09 0.00 0.00 178.44 178.46 2kys n SER 63 N -4.47 0.00 -0.00 -0.43 2.88 -1.02 -1.06 113.62 109.51 2kys n SER 63 Ca 0.06 -1.05 0.05 0.00 -1.33 0.00 0.00 58.87 56.60 2kys n SER 63 Cb 0.26 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.66 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 -0.82 2.13 0.00 -1.46 0.00 0.37 -4.97 117.12 112.38 2kys n MET 64 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.77 2kys n MET 64 Cb 0.05 -1.09 0.00 0.00 0.00 0.00 0.00 33.22 32.18 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 -1.52 1.42 -3.04 3.17 10.64 -0.55 -5.10 117.38 122.39 2kys n GLN 65 Ca 0.00 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.09 2kys n GLN 65 Cb 0.21 -0.19 0.04 0.00 -0.86 0.00 0.00 30.24 29.43 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 -0.04 -1.08 0.00 2.61 0.00 -0.22 -4.93 105.19 101.52 2kys n GLY 66 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2kys n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kys n ALA 67 N -2.51 0.00 0.01 4.61 0.00 -1.26 -5.03 120.51 116.33 2kys n ALA 67 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2kys n ALA 67 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2kys n ALA 67 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2kys n VAL 68 N -1.67 0.07 1.58 0.00 3.14 -1.26 -4.88 118.33 115.31 2kys n VAL 68 Ca 0.00 0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 2kys n VAL 68 Cb 0.00 -1.02 0.00 0.00 -1.06 0.00 0.00 33.84 31.76 2kys n VAL 68 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2kys n ASP 69 N -2.84 0.43 0.15 6.55 9.92 -1.26 -3.94 116.55 125.56 2kys n ASP 69 Ca 0.00 -2.00 0.06 0.00 -0.53 0.00 0.00 54.79 52.32 2kys n ASP 69 Cb 0.23 -0.21 0.52 0.00 -0.64 0.00 0.00 41.12 41.02 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 0.01 1.07 0.00 0.53 6.09 -1.91 0.12 117.51 123.41 2kys h ILE 70 Ca 0.00 -0.20 -0.09 0.00 -1.37 0.00 0.00 64.86 63.20 2kys h ILE 70 Cb 0.21 0.87 -0.01 0.00 0.47 0.00 0.00 36.82 38.36 2kys h ILE 70 CO 0.00 0.08 -0.43 0.78 -3.07 0.00 0.00 178.15 175.51 2kys h ASN 71 N 0.23 0.00 -0.02 2.19 -0.26 -1.95 -3.28 115.58 112.49 2kys h ASN 71 Ca 0.06 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 2kys h ASN 71 Cb 0.04 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.30 2kys h ASN 71 CO -0.01 0.43 0.01 0.03 -1.06 0.00 0.00 177.43 176.83 2kys h ARG 72 N 0.00 0.03 0.00 0.81 -0.00 -1.06 -2.48 114.38 111.68 2kys h ARG 72 Ca -0.00 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.98 59.43 2kys h ARG 72 Cb 0.89 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.85 2kys h ARG 72 CO 0.06 0.24 -0.19 1.37 0.00 0.00 0.00 179.97 181.45 2kys h LEU 73 N -0.18 0.00 0.14 3.04 -0.00 -1.64 -1.74 115.31 114.92 2kys h LEU 73 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kys h LEU 73 Cb 0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2kys h LEU 73 CO -0.00 0.19 -0.08 0.00 -0.00 0.00 0.00 178.44 178.56 2kys n GLU 75 N -5.18 0.29 0.00 0.00 1.02 -0.97 -1.11 120.64 114.68 2kys n GLU 75 Ca -0.08 0.04 -0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2kys n GLU 75 Cb 0.11 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 -0.01 0.00 3.49 4.81 -0.98 -3.37 114.58 118.52 2kys h GLU 76 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2kys h GLU 76 Cb 0.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2kys h GLU 76 CO 0.00 -0.00 -0.21 0.00 -0.73 0.00 0.00 179.01 178.07 2kys h MET 77 N -0.02 0.00 -0.37 1.92 -0.00 -0.69 -0.98 114.93 114.80 2kys h MET 77 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 59.70 59.55 2kys h MET 77 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.60 2kys h MET 77 CO 0.00 0.21 -0.38 1.25 -0.00 0.00 0.00 176.91 177.99 2kys h LEU 78 N 0.00 0.93 -0.02 -0.10 6.46 -1.37 -3.11 115.31 118.11 2kys h LEU 78 Ca -0.00 -0.42 -0.24 0.00 -0.12 0.00 0.00 57.88 57.10 2kys h LEU 78 Cb 0.62 -0.26 0.02 0.00 -0.73 0.00 0.00 40.66 40.30 2kys h LEU 78 CO 0.03 1.20 -0.92 -0.78 -0.62 0.00 0.00 178.44 177.35 2kys h ASP 79 N 0.72 0.84 0.33 1.25 3.58 -1.45 -2.63 116.42 119.07 2kys h ASP 79 Ca 0.06 -0.73 0.00 0.00 0.42 0.00 0.00 57.03 56.79 2kys h ASP 79 Cb 0.95 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.75 2kys h ASP 79 CO 0.09 1.46 0.00 0.59 -2.88 0.00 0.00 179.24 178.50 2kys n ASN 80 N -3.94 0.15 -0.09 2.28 3.02 -0.48 -0.93 115.26 115.26 2kys n ASN 80 Ca -0.10 0.55 -0.11 0.00 -0.03 0.00 0.00 54.58 54.88 2kys n ASN 80 Cb 0.82 -0.58 -0.12 0.00 -0.61 0.00 0.00 39.78 39.30 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 -1.68 0.94 0.10 3.52 1.85 -1.18 -4.46 116.66 115.76 2kys n ARG 81 Ca 0.02 0.05 0.05 0.00 -1.00 0.00 0.00 57.85 56.97 2kys n ARG 81 Cb 0.11 -1.43 0.49 0.00 -1.05 0.00 0.00 32.46 30.58 2kys n ARG 81 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kys h ALA 82 N 0.48 1.78 0.00 2.89 0.00 -0.95 -0.86 119.26 122.60 2kys h ALA 82 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2kys h ALA 82 Cb 1.92 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2kys h ALA 82 CO -0.02 0.19 0.00 -2.37 0.00 0.00 0.00 179.25 177.05 2kys n THR 83 N -4.48 1.00 -0.66 0.00 5.66 -0.11 -2.24 114.28 113.46 2kys n THR 83 Ca 0.01 0.25 0.07 0.00 -3.05 0.00 0.00 64.05 61.33 2kys n THR 83 Cb 0.09 -1.01 0.23 0.00 -1.55 0.00 0.00 70.33 68.09 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 -1.49 3.59 0.00 1.09 4.77 -0.33 -5.10 117.00 119.53 2kys n LEU 84 Ca 0.04 -2.60 0.00 0.00 -0.03 0.00 0.00 56.01 53.42 2kys n LEU 84 Cb 0.16 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 2kys n LEU 84 CO 0.13 0.70 0.26 0.00 -1.33 0.00 0.00 177.39 177.15