#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 -1.45 -1.54 1.61 -0.00 -1.26 -5.04 115.22 107.53 2kys n HIS 2 Ca 0.00 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.89 2kys n HIS 2 Cb 0.00 0.32 0.13 0.00 -0.12 0.00 0.00 29.99 30.33 2kys n HIS 2 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 2kys s SER 3 N -1.93 3.55 0.12 0.26 0.01 -1.26 -4.79 113.70 109.66 2kys s SER 3 Ca 0.00 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.22 2kys s SER 3 Cb 0.00 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.69 2kys s SER 3 CO 0.00 -2.53 0.00 0.29 0.41 0.00 0.00 173.24 171.41 2kys n LYS 4 N -3.75 -4.92 -0.36 12.44 4.76 -1.26 -4.80 118.16 120.27 2kys n LYS 4 Ca 0.07 3.50 0.28 0.00 -2.87 0.00 0.00 58.31 59.29 2kys n LYS 4 Cb 0.59 -4.08 0.54 0.00 -1.84 0.00 0.00 35.03 30.24 2kys n LYS 4 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kys h MET 5 N 4.32 0.22 -2.25 1.97 -0.00 -2.05 -3.48 114.93 113.65 2kys h MET 5 Ca 0.00 -0.01 0.25 0.00 -0.00 0.00 0.00 59.70 59.94 2kys h MET 5 Cb 0.00 -0.05 -0.10 0.00 -0.00 0.00 0.00 31.60 31.45 2kys h MET 5 CO 0.00 0.15 -0.59 0.43 -0.00 0.00 0.00 176.91 176.90 2kys n SER 6 N -4.96 -5.82 -3.49 -0.10 7.64 -1.26 -4.57 113.62 101.05 2kys n SER 6 Ca 0.33 0.67 -0.40 0.00 1.01 0.00 0.00 58.87 60.48 2kys n SER 6 Cb 1.13 -3.12 -0.01 0.00 -1.01 0.00 0.00 64.21 61.19 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 -3.68 7.72 -4.36 6.43 2.03 -1.26 -4.86 116.55 118.58 2kys n ASP 7 Ca -0.02 -2.97 -0.45 0.00 0.52 0.00 0.00 54.79 51.86 2kys n ASP 7 Cb 0.45 -1.44 -0.01 0.00 -0.72 0.00 0.00 41.12 39.40 2kys n ASP 7 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2kys s VAL 8 N 0.11 5.75 -0.17 5.18 1.01 -1.26 -4.79 120.40 126.23 2kys s VAL 8 Ca 0.56 -3.04 0.14 0.00 0.00 0.00 0.00 61.98 59.64 2kys s VAL 8 Cb 0.17 -4.62 0.37 0.00 0.00 0.00 0.00 36.38 32.30 2kys s VAL 8 CO -0.07 -1.22 1.19 2.29 0.00 0.00 0.00 175.10 177.29 2kys n LYS 9 N 3.51 1.41 -3.54 2.72 2.85 -1.26 -5.00 118.16 118.84 2kys n LYS 9 Ca 0.23 -3.00 -0.24 0.00 -1.05 0.00 0.00 58.31 54.25 2kys n LYS 9 Cb 0.42 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.27 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 -3.70 0.16 -2.25 0.00 5.66 -1.26 -4.50 114.28 108.40 2kys n THR 11 Ca 0.03 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2kys n THR 11 Cb 0.51 -1.66 0.00 0.00 -1.55 0.00 0.00 70.33 67.63 2kys n THR 11 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2kys n SER 12 N 4.35 -7.11 0.33 1.09 7.64 -1.26 -4.78 113.62 113.88 2kys n SER 12 Ca 0.18 1.63 0.15 0.00 1.01 0.00 0.00 58.87 61.85 2kys n SER 12 Cb 0.30 -4.28 0.82 0.00 -1.01 0.00 0.00 64.21 60.04 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 4.23 0.00 -0.90 0.44 -1.51 -2.00 -2.78 116.25 113.73 2kys h VAL 13 Ca 0.00 0.00 0.25 0.00 -1.23 0.00 0.00 66.70 65.72 2kys h VAL 13 Cb 0.00 0.67 -0.14 0.00 -2.13 0.00 0.00 31.29 29.69 2kys h VAL 13 CO 0.00 0.00 0.29 0.58 -1.23 0.00 0.00 177.57 177.21 2kys h VAL 14 N 0.00 0.31 0.11 7.19 2.07 -1.97 0.11 116.25 124.07 2kys h VAL 14 Ca 0.00 -0.08 -0.22 0.00 0.82 0.00 0.00 66.70 67.22 2kys h VAL 14 Cb 0.67 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2kys h VAL 14 CO -0.00 0.04 -1.07 0.17 0.02 0.00 0.00 177.57 176.74 2kys h LEU 15 N 0.23 0.38 -0.90 2.57 -0.00 -1.79 -3.36 115.31 112.44 2kys h LEU 15 Ca 0.58 -0.89 0.06 0.00 -0.00 0.00 0.00 57.88 57.63 2kys h LEU 15 Cb 1.21 -0.12 -0.06 0.00 -0.00 0.00 0.00 40.66 41.68 2kys h LEU 15 CO -0.65 1.48 0.57 -0.07 -0.00 0.00 0.00 178.44 179.77 2kys h LEU 16 N -0.41 0.90 -1.58 0.17 -0.00 -1.30 -0.76 115.31 112.33 2kys h LEU 16 Ca -0.22 0.01 0.14 0.00 -0.00 0.00 0.00 57.88 57.81 2kys h LEU 16 Cb 1.64 -0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 42.07 2kys h LEU 16 CO 0.08 0.59 0.49 0.28 -0.00 0.00 0.00 178.44 179.88 2kys h SER 17 N 1.04 0.39 0.20 -0.43 0.02 -1.20 -0.16 113.55 113.41 2kys h SER 17 Ca 0.38 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2kys h SER 17 Cb 0.14 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2kys h SER 17 CO -0.16 0.21 0.00 0.52 -1.14 0.00 0.00 176.83 176.26 2kys n VAL 18 N -4.48 0.75 -0.03 2.27 0.31 -0.29 -1.00 118.33 115.87 2kys n VAL 18 Ca 0.14 0.19 -0.04 0.00 -0.01 0.00 0.00 64.34 64.61 2kys n VAL 18 Cb 0.50 -1.02 -0.03 0.00 -0.91 0.00 0.00 33.84 32.38 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 -1.29 2.36 0.18 7.52 7.99 -0.15 -4.65 117.00 128.96 2kys n LEU 19 Ca 0.05 -0.03 0.04 0.00 -0.01 0.00 0.00 56.01 56.06 2kys n LEU 19 Cb 0.08 -0.16 0.34 0.00 -0.11 0.00 0.00 43.42 43.58 2kys n LEU 19 CO 0.08 0.51 0.68 1.56 -1.51 0.00 0.00 177.39 178.71 2kys h GLN 20 N 0.00 0.00 0.00 3.23 4.20 -1.25 -2.13 115.11 119.16 2kys h GLN 20 Ca -0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2kys h GLN 20 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2kys h GLN 20 CO -0.02 0.40 0.00 0.37 -0.67 0.00 0.00 178.83 178.92 2kys h GLN 21 N 0.00 0.00 0.00 1.46 4.15 -1.32 -3.39 115.11 116.00 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 0.81 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.50 2kys h GLN 21 CO 0.05 0.00 0.00 1.28 -1.93 0.00 0.00 178.83 178.23 2kys n LEU 22 N -2.86 0.00 0.00 -2.39 7.99 -0.82 -5.07 117.00 113.85 2kys n LEU 22 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 2kys n LEU 22 Cb 0.09 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 2kys n LEU 22 CO 0.18 0.00 0.00 -2.11 -1.51 0.00 0.00 177.39 173.95 2kys n ARG 23 N -0.44 0.00 -1.54 3.23 -4.01 -1.13 -5.13 116.66 107.64 2kys n ARG 23 Ca 0.00 0.00 -0.38 0.00 -1.04 0.00 0.00 57.85 56.43 2kys n ARG 23 Cb 0.00 0.00 0.04 0.00 -3.04 0.00 0.00 32.46 29.46 2kys n ARG 23 CO 0.00 0.00 0.00 1.55 -3.04 0.00 0.00 177.63 176.14 2kys n VAL 24 N 0.00 2.87 -3.81 8.89 3.14 -1.19 -5.00 118.33 123.24 2kys n VAL 24 Ca 0.00 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.52 2kys n VAL 24 Cb 0.00 -0.90 -0.10 0.00 -1.06 0.00 0.00 33.84 31.79 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 -2.35 4.01 0.18 1.45 2.02 -1.26 -5.00 118.70 117.75 2kys s GLU 25 Ca 0.71 -0.31 -0.14 0.00 0.02 0.00 0.00 54.97 55.25 2kys s GLU 25 Cb -0.44 -3.38 0.17 0.00 0.10 0.00 0.00 34.13 30.58 2kys s GLU 25 CO 0.51 0.15 1.69 0.66 0.02 0.00 0.00 175.26 178.29 2kys h SER 26 N 7.16 -0.18 0.00 -0.19 4.64 -2.01 -2.73 113.55 120.24 2kys h SER 26 Ca -0.38 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2kys h SER 26 Cb 1.17 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2kys h SER 26 CO 0.68 -0.06 0.00 -1.20 -0.87 0.00 0.00 176.83 175.38 2kys n SER 27 N -5.21 1.76 -3.88 4.97 7.64 -1.26 -4.74 113.62 112.91 2kys n SER 27 Ca 0.05 -1.16 -0.12 0.00 1.01 0.00 0.00 58.87 58.65 2kys n SER 27 Cb 0.25 -0.32 -0.13 0.00 -1.01 0.00 0.00 64.21 63.00 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 1.19 0.01 0.61 6.43 0.15 -1.03 -5.03 113.70 116.03 2kys s SER 28 Ca 0.00 -0.02 0.29 0.00 0.70 0.00 0.00 55.95 56.92 2kys s SER 28 Cb 0.00 0.05 1.57 0.00 -1.71 0.00 0.00 66.02 65.93 2kys s SER 28 CO 0.00 -0.04 1.96 0.07 1.20 0.00 0.00 173.24 176.43 2kys h LYS 29 N 5.93 0.00 -0.99 5.44 -0.00 -1.86 -1.87 116.57 123.23 2kys h LYS 29 Ca -0.25 0.00 0.06 0.00 -0.00 0.00 0.00 60.65 60.46 2kys h LYS 29 Cb 1.21 0.00 -0.07 0.00 -0.00 0.00 0.00 32.23 33.37 2kys h LYS 29 CO 0.49 0.00 0.64 1.25 -0.00 0.00 0.00 179.45 181.82 2kys h LEU 30 N 0.00 1.03 -1.27 7.07 7.12 -1.93 0.28 115.31 127.61 2kys h LEU 30 Ca 0.13 0.01 0.05 0.00 0.13 0.00 0.00 57.88 58.20 2kys h LEU 30 Cb 0.87 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 40.74 2kys h LEU 30 CO -0.00 0.66 0.52 -0.25 -0.13 0.00 0.00 178.44 179.24 2kys h TRP 31 N 1.17 0.91 0.00 1.25 7.01 -1.51 -2.62 115.95 122.16 2kys h TRP 31 Ca 0.42 0.02 -0.22 0.00 2.11 0.00 0.00 58.89 61.23 2kys h TRP 31 Cb 0.15 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.87 2kys h TRP 31 CO -0.01 0.50 -1.18 0.00 -2.79 0.00 0.00 178.44 174.97 2kys h ALA 32 N 1.55 0.53 -0.09 2.65 0.00 -1.17 -3.33 119.26 119.40 2kys h ALA 32 Ca 0.33 -1.01 0.03 0.00 0.00 0.00 0.00 54.91 54.26 2kys h ALA 32 Cb 0.16 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kys h ALA 32 CO -0.11 1.25 0.25 1.96 0.00 0.00 0.00 179.25 182.60 2kys h GLN 33 N 0.00 0.00 0.00 0.00 1.08 -0.13 0.63 115.11 116.69 2kys h GLN 33 Ca -0.10 0.00 -0.43 0.00 -1.45 0.00 0.00 58.65 56.67 2kys h GLN 33 Cb 1.78 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 29.15 2kys h GLN 33 CO 0.10 0.00 -2.42 0.00 -0.95 0.00 0.00 178.83 175.56 2kys h VAL 35 N -0.92 0.00 -0.11 0.00 2.07 -1.55 -2.88 116.25 112.85 2kys h VAL 35 Ca -0.65 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 2kys h VAL 35 Cb 1.56 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2kys h VAL 35 CO -0.39 0.00 -0.08 0.06 0.02 0.00 0.00 177.57 177.18 2kys h GLN 36 N -0.55 0.17 0.00 1.57 -0.00 -1.17 -1.80 115.11 113.33 2kys h GLN 36 Ca -0.03 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 2kys h GLN 36 Cb 0.49 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.48 27.94 2kys h GLN 36 CO -0.07 0.26 -0.05 1.25 -0.00 0.00 0.00 178.83 180.22 2kys h LEU 37 N 0.17 0.00 0.80 0.06 6.46 -1.71 -3.00 115.31 118.09 2kys h LEU 37 Ca 0.04 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.76 2kys h LEU 37 Cb 0.25 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 2kys h LEU 37 CO 0.01 0.05 -0.45 -0.74 -0.62 0.00 0.00 178.44 176.69 2kys h HIS 38 N 0.00 -1.20 0.00 1.25 2.76 -1.11 -2.93 115.15 113.92 2kys h HIS 38 Ca -0.00 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.12 2kys h HIS 38 Cb 0.60 0.42 -0.00 0.00 1.55 0.00 0.00 27.41 29.97 2kys h HIS 38 CO 0.00 -0.70 -0.17 -2.95 -1.30 0.00 0.00 177.93 172.82 2kys h ASN 39 N -1.16 0.00 0.14 3.26 7.08 -1.66 -2.02 115.58 121.22 2kys h ASN 39 Ca -0.11 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.11 2kys h ASN 39 Cb 0.92 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.16 2kys h ASN 39 CO 0.13 0.17 0.00 0.47 -2.08 0.00 0.00 177.43 176.12 2kys n ASP 40 N -4.03 0.29 -0.00 6.14 8.00 -1.11 -2.14 116.55 123.69 2kys n ASP 40 Ca -0.02 0.62 -0.18 0.00 0.71 0.00 0.00 54.79 55.92 2kys n ASP 40 Cb 0.25 -0.66 -0.14 0.00 -0.02 0.00 0.00 41.12 40.55 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 1.57 0.00 0.53 1.08 -1.36 -2.86 117.51 116.48 2kys h ILE 41 Ca 0.00 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.02 2kys h ILE 41 Cb 0.07 3.22 0.00 0.00 -3.07 0.00 0.00 36.82 37.04 2kys h ILE 41 CO 0.00 0.66 0.00 0.18 -0.69 0.00 0.00 178.15 178.30 2kys n LEU 42 N -4.31 0.02 -0.65 1.44 7.99 -0.91 -2.12 117.00 118.46 2kys n LEU 42 Ca -0.14 0.50 0.06 0.00 -0.01 0.00 0.00 56.01 56.42 2kys n LEU 42 Cb 0.69 -0.50 0.16 0.00 -0.11 0.00 0.00 43.42 43.66 2kys n LEU 42 CO 0.42 -0.18 0.64 0.18 -1.51 0.00 0.00 177.39 176.93 2kys n LEU 43 N -1.52 3.03 -4.66 2.23 4.32 -0.98 -5.02 117.00 114.41 2kys n LEU 43 Ca 0.04 -2.16 -0.30 0.00 -0.02 0.00 0.00 56.01 53.57 2kys n LEU 43 Cb 0.22 -0.27 0.22 0.00 -1.62 0.00 0.00 43.42 41.97 2kys n LEU 43 CO 0.18 0.71 0.67 0.00 -1.22 0.00 0.00 177.39 177.73 2kys s ALA 44 N -1.29 0.95 0.00 -1.18 0.00 -0.90 -5.01 121.76 114.32 2kys s ALA 44 Ca 0.25 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2kys s ALA 44 Cb 0.15 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.37 2kys s ALA 44 CO 0.14 -3.28 0.00 1.63 0.00 0.00 0.00 175.76 174.25 2kys n LYS 45 N -4.50 0.00 -1.89 0.00 5.02 -1.26 -4.97 118.16 110.55 2kys n LYS 45 Ca 0.12 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.12 2kys n LYS 45 Cb 0.59 -0.19 0.14 0.00 -0.02 0.00 0.00 35.03 35.55 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 -1.00 3.79 0.00 4.39 1.01 -1.26 -4.94 116.67 118.66 2kys s ASP 46 Ca 0.00 0.56 -0.24 0.00 0.71 0.00 0.00 52.55 53.58 2kys s ASP 46 Cb 0.00 -0.84 -0.18 0.00 1.01 0.00 0.00 42.92 42.90 2kys s ASP 46 CO 0.00 -2.34 1.30 0.74 0.21 0.00 0.00 175.17 175.08 2kys h THR 47 N -1.36 1.37 -0.40 -1.27 2.02 -1.97 -1.96 112.91 109.34 2kys h THR 47 Ca -0.45 -1.20 0.06 0.00 0.77 0.00 0.00 66.41 65.58 2kys h THR 47 Cb 1.29 2.06 -0.05 0.00 -1.74 0.00 0.00 68.15 69.70 2kys h THR 47 CO 0.53 0.33 0.09 0.00 0.37 0.00 0.00 175.52 176.84 2kys h THR 48 N -0.31 0.81 0.00 3.16 1.03 -2.00 -1.13 112.91 114.48 2kys h THR 48 Ca 0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.33 2kys h THR 48 Cb 0.55 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.20 2kys h THR 48 CO 0.01 0.04 0.00 1.21 -0.01 0.00 0.00 175.52 176.77 2kys n GLU 49 N -5.08 0.82 -0.05 0.00 2.13 -1.21 -0.69 120.64 116.57 2kys n GLU 49 Ca 0.03 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.82 2kys n GLU 49 Cb 0.17 -1.37 -0.01 0.00 0.27 0.00 0.00 31.44 30.51 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 3.39 0.00 0.00 4.31 0.00 -0.40 -3.40 119.26 123.15 2kys h ALA 50 Ca 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2kys h ALA 50 Cb 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2kys h ALA 50 CO 0.00 0.24 -0.17 0.27 0.00 0.00 0.00 179.25 179.59 2kys h PHE 51 N -0.78 0.00 0.00 0.00 -0.00 -0.96 -2.16 116.94 113.04 2kys h PHE 51 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2kys h PHE 51 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.19 2kys h PHE 51 CO -0.10 0.17 0.05 0.93 -0.00 0.00 0.00 178.31 179.35 2kys h GLU 52 N 0.00 0.00 0.00 6.09 4.39 -1.14 -0.43 114.58 123.49 2kys h GLU 52 Ca -0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 2kys h GLU 52 Cb 0.64 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.26 2kys h GLU 52 CO 0.02 0.00 -2.09 0.36 -1.16 0.00 0.00 179.01 176.15 2kys n LYS 53 N -2.50 0.67 -0.05 2.33 2.85 -0.82 -3.95 118.16 116.70 2kys n LYS 53 Ca -0.02 -0.08 -0.08 0.00 -1.05 0.00 0.00 58.31 57.07 2kys n LYS 53 Cb 0.09 -1.55 0.08 0.00 -0.65 0.00 0.00 35.03 33.00 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 0.69 0.00 -1.58 -0.00 -1.13 -2.09 114.93 110.82 2kys h MET 54 Ca -0.23 -0.33 0.00 0.00 -0.00 0.00 0.00 59.70 59.14 2kys h MET 54 Cb 1.54 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.14 2kys h MET 54 CO 0.02 0.94 0.00 0.28 -0.00 0.00 0.00 176.91 178.14 2kys n VAL 55 N -4.05 0.88 1.83 -0.10 0.31 -0.47 -0.62 118.33 116.10 2kys n VAL 55 Ca -0.01 0.33 0.09 0.00 -0.01 0.00 0.00 64.34 64.74 2kys n VAL 55 Cb 0.50 -1.27 0.55 0.00 -0.91 0.00 0.00 33.84 32.72 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 -2.22 0.00 -0.01 4.52 7.64 -0.79 -4.43 113.62 118.33 2kys n SER 56 Ca 0.01 -1.24 -0.04 0.00 1.01 0.00 0.00 58.87 58.61 2kys n SER 56 Cb 0.19 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.38 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 -0.82 0.33 0.00 -3.43 0.00 0.21 -4.28 117.00 109.01 2kys n LEU 57 Ca 0.14 0.05 0.01 0.00 0.00 0.00 0.00 56.01 56.21 2kys n LEU 57 Cb 0.06 -0.13 0.05 0.00 0.00 0.00 0.00 43.42 43.41 2kys n LEU 57 CO 0.11 0.01 0.18 0.00 0.00 0.00 0.00 177.39 177.69 2kys n LEU 58 N -3.20 0.00 0.00 -1.96 -0.00 -1.22 -0.60 117.00 110.02 2kys n LEU 58 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 2kys n LEU 58 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 2kys n LEU 58 CO 0.01 0.00 0.27 -0.24 -0.00 0.00 0.00 177.39 177.42 2kys n SER 59 N -0.65 0.55 -0.02 1.45 2.88 -1.26 -4.70 113.62 111.86 2kys n SER 59 Ca 0.01 -1.24 0.05 0.00 -1.33 0.00 0.00 58.87 56.36 2kys n SER 59 Cb 0.01 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.35 2kys n SER 59 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2kys n VAL 60 N -0.12 0.22 -0.05 2.46 3.14 0.23 -4.63 118.33 119.58 2kys n VAL 60 Ca 0.00 -0.41 -0.07 0.00 -2.96 0.00 0.00 64.34 60.90 2kys n VAL 60 Cb 0.36 -0.02 -0.06 0.00 -1.06 0.00 0.00 33.84 33.06 2kys n VAL 60 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kys n LEU 61 N -2.15 1.97 0.30 6.55 -0.00 -1.19 -4.54 117.00 117.95 2kys n LEU 61 Ca -0.07 -0.04 0.17 0.00 -0.00 0.00 0.00 56.01 56.07 2kys n LEU 61 Cb 0.53 -0.19 0.94 0.00 -0.00 0.00 0.00 43.42 44.70 2kys n LEU 61 CO 0.32 0.53 1.09 -0.07 -0.00 0.00 0.00 177.39 179.26 2kys h LEU 62 N 0.00 0.00 -1.33 1.47 4.07 -1.84 -2.25 115.31 115.43 2kys h LEU 62 Ca -0.25 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.66 2kys h LEU 62 Cb 1.44 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.17 2kys h LEU 62 CO -0.02 0.04 -0.13 -1.28 -1.08 0.00 0.00 178.44 175.97 2kys h SER 63 N 0.00 0.28 0.03 -0.43 0.87 -1.82 0.28 113.55 112.76 2kys h SER 63 Ca -0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2kys h SER 63 Cb 0.15 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2kys h SER 63 CO 0.00 0.44 -0.03 1.15 -0.53 0.00 0.00 176.83 177.86 2kys n MET 64 N -4.25 1.48 0.00 2.24 0.00 -0.85 -4.85 117.12 110.89 2kys n MET 64 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 57.70 56.89 2kys n MET 64 Cb 0.28 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.02 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 -0.05 0.00 0.00 3.17 10.64 -0.06 -5.12 117.38 125.95 2kys n GLN 65 Ca 0.19 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.36 2kys n GLN 65 Cb 0.33 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.71 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 0.17 1.93 3.59 2.61 0.00 -0.33 -5.07 105.19 108.11 2kys n GLY 66 Ca 0.00 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 3.24 0.00 4.61 0.00 -1.26 -5.01 121.76 123.33 2kys s ALA 67 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2kys s ALA 67 Cb 0.00 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.57 2kys s ALA 67 CO 0.00 -0.21 0.00 1.33 0.00 0.00 0.00 175.76 176.88 2kys n VAL 68 N -0.99 0.00 -1.14 0.00 0.24 -1.26 -4.82 118.33 110.36 2kys n VAL 68 Ca -0.10 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.19 2kys n VAL 68 Cb 0.66 -0.74 0.26 0.00 -1.47 0.00 0.00 33.84 32.56 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 -2.18 3.92 0.26 -1.34 8.00 -1.26 -4.60 116.55 119.34 2kys n ASP 69 Ca 0.00 -3.31 0.10 0.00 0.71 0.00 0.00 54.79 52.29 2kys n ASP 69 Cb 0.48 -0.66 0.68 0.00 -0.02 0.00 0.00 41.12 41.61 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 1.92 0.87 0.00 0.53 6.09 -1.93 -0.47 117.51 124.52 2kys h ILE 70 Ca 0.18 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.46 2kys h ILE 70 Cb 1.90 1.12 0.00 0.00 0.47 0.00 0.00 36.82 40.31 2kys h ILE 70 CO 0.50 0.06 0.00 0.78 -3.07 0.00 0.00 178.15 176.42 2kys h ASN 71 N 0.00 0.00 -0.00 2.19 2.35 -1.98 -3.27 115.58 114.86 2kys h ASN 71 Ca -0.00 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.51 2kys h ASN 71 Cb 0.12 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.51 2kys h ASN 71 CO 0.01 0.00 -0.95 0.03 -1.65 0.00 0.00 177.43 174.87 2kys h ARG 72 N 0.00 0.65 -0.10 0.81 -0.00 -1.44 -2.20 114.38 112.11 2kys h ARG 72 Ca 0.00 -0.70 -0.08 0.00 -0.50 0.00 0.00 59.98 58.70 2kys h ARG 72 Cb 0.60 0.20 -0.01 0.00 0.00 0.00 0.00 29.97 30.75 2kys h ARG 72 CO 0.00 1.29 -0.33 1.37 0.00 0.00 0.00 179.97 182.30 2kys h LEU 73 N 0.30 0.19 0.69 3.04 -0.00 -1.70 -2.69 115.31 115.14 2kys h LEU 73 Ca -0.12 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.88 57.67 2kys h LEU 73 Cb 1.62 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 42.23 2kys h LEU 73 CO 0.19 0.51 -0.38 0.00 -0.00 0.00 0.00 178.44 178.76 2kys h GLU 75 N -0.99 0.00 0.00 0.00 5.08 -1.41 -1.60 114.58 115.66 2kys h GLU 75 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2kys h GLU 75 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2kys h GLU 75 CO 0.12 0.00 0.00 -1.91 -1.00 0.00 0.00 179.01 176.22 2kys n GLU 76 N -2.58 0.00 0.27 2.33 4.07 -1.01 -3.82 120.64 119.89 2kys n GLU 76 Ca -0.01 0.39 0.16 0.00 -0.06 0.00 0.00 57.16 57.64 2kys n GLU 76 Cb 0.14 -1.06 0.72 0.00 -0.06 0.00 0.00 31.44 31.19 2kys n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kys h MET 77 N 0.00 0.00 0.11 5.31 -0.00 -0.93 -1.02 114.93 118.41 2kys h MET 77 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 2kys h MET 77 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2kys h MET 77 CO 0.00 0.06 -0.06 1.25 -0.00 0.00 0.00 176.91 178.16 2kys h LEU 78 N 0.00 -0.13 -1.03 -0.10 6.46 -1.52 -3.15 115.31 115.84 2kys h LEU 78 Ca -0.00 -0.23 0.12 0.00 -0.12 0.00 0.00 57.88 57.65 2kys h LEU 78 Cb 0.46 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.34 2kys h LEU 78 CO 0.01 0.16 0.63 -0.78 -0.62 0.00 0.00 178.44 177.84 2kys h ASP 79 N -0.43 0.92 0.58 1.25 3.58 -1.32 -0.62 116.42 120.38 2kys h ASP 79 Ca -0.02 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2kys h ASP 79 Cb 0.35 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2kys h ASP 79 CO 0.03 0.50 0.00 0.78 -2.88 0.00 0.00 179.24 177.66 2kys h ASN 80 N 0.99 0.00 0.00 2.28 2.35 -1.29 0.82 115.58 120.73 2kys h ASN 80 Ca 0.49 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 56.05 2kys h ASN 80 Cb 0.48 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 2kys h ASN 80 CO -0.25 0.00 -1.80 -2.11 -1.65 0.00 0.00 177.43 171.61 2kys n ARG 81 N -2.79 1.74 0.24 0.81 -4.01 -0.66 -4.48 116.66 107.50 2kys n ARG 81 Ca -0.00 -0.02 0.12 0.00 -1.04 0.00 0.00 57.85 56.90 2kys n ARG 81 Cb 0.20 -1.31 0.55 0.00 -3.04 0.00 0.00 32.46 28.86 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 0.70 1.06 0.00 2.89 0.00 -0.75 -2.96 119.26 120.21 2kys h ALA 82 Ca -0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2kys h ALA 82 Cb 1.57 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 2kys h ALA 82 CO 0.02 0.21 -0.10 0.00 0.00 0.00 0.00 179.25 179.38 2kys h THR 83 N 0.00 0.41 -0.11 0.00 1.03 -1.07 -1.14 112.91 112.03 2kys h THR 83 Ca -0.00 -0.52 0.00 0.00 -0.01 0.00 0.00 66.41 65.88 2kys h THR 83 Cb 0.62 1.36 0.00 0.00 -1.07 0.00 0.00 68.15 69.07 2kys h THR 83 CO 0.02 0.09 0.00 0.18 -0.01 0.00 0.00 175.52 175.81 2kys n LEU 84 N -3.47 0.94 0.00 0.00 4.77 -1.12 -5.13 117.00 113.00 2kys n LEU 84 Ca -0.01 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 2kys n LEU 84 Cb 0.24 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2kys n LEU 84 CO 0.29 0.20 0.20 0.00 -1.33 0.00 0.00 177.39 176.74