#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjs s PRO 2 N 0.00 3.71 0.00 0.03 0.04 -1.26 -4.93 135.00 132.59 2kjs s PRO 2 Ca 0.00 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.55 2kjs s PRO 2 Cb 0.00 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.64 2kjs s PRO 2 CO 0.00 -1.31 0.00 2.41 0.04 0.00 0.00 177.00 178.14 2kjs n THR 3 N 6.68 0.00 -0.04 1.26 -1.04 -1.26 -3.98 114.28 115.90 2kjs n THR 3 Ca 0.11 0.37 -0.13 0.00 -2.04 0.00 0.00 64.05 62.36 2kjs n THR 3 Cb 0.49 -1.26 -0.01 0.00 -1.82 0.00 0.00 70.33 67.73 2kjs n THR 3 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2kjs h LEU 4 N 0.00 0.83 -2.49 -4.42 3.38 -1.98 -2.88 115.31 107.75 2kjs h LEU 4 Ca 0.00 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 2kjs h LEU 4 Cb 0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 2kjs h LEU 4 CO 0.00 1.23 -0.02 -0.78 0.09 0.00 0.00 178.44 178.96 2kjs h ASP 5 N 0.55 0.00 0.87 -0.43 1.82 -1.97 0.79 116.42 118.06 2kjs h ASP 5 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kjs h ASP 5 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 2kjs h ASP 5 CO 0.12 0.02 -1.04 0.00 -1.61 0.00 0.00 179.24 176.73 2kjs n ALA 6 N -2.19 2.64 1.00 -0.78 0.00 -1.12 -3.95 120.51 116.12 2kjs n ALA 6 Ca -0.02 -0.27 0.10 0.00 0.00 0.00 0.00 53.44 53.25 2kjs n ALA 6 Cb 0.13 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 2kjs n ALA 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kjs n LEU 7 N -2.55 1.36 -0.03 0.00 4.77 -0.34 -4.40 117.00 115.82 2kjs n LEU 7 Ca 0.00 -0.58 -0.15 0.00 -0.03 0.00 0.00 56.01 55.26 2kjs n LEU 7 Cb 0.53 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 2kjs n LEU 7 CO 0.40 0.29 0.43 0.71 -1.33 0.00 0.00 177.39 177.90 2kjs h THR 8 N 0.92 1.53 -0.45 -5.08 1.35 -1.03 -2.76 112.91 107.38 2kjs h THR 8 Ca 0.00 -1.84 0.07 0.00 -0.55 0.00 0.00 66.41 64.08 2kjs h THR 8 Cb 0.59 2.69 -0.06 0.00 -1.73 0.00 0.00 68.15 69.64 2kjs h THR 8 CO 0.00 0.50 0.13 -0.65 -0.25 0.00 0.00 175.52 175.25 2kjs h PRO 9 N -0.50 0.27 -0.30 4.72 0.11 -1.77 0.40 132.00 134.93 2kjs h PRO 9 Ca -0.02 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 2kjs h PRO 9 Cb 0.92 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 2kjs h PRO 9 CO 0.04 0.18 0.01 0.82 -0.21 0.00 0.00 178.00 178.84 2kjs h ILE 10 N 0.28 1.25 -0.26 4.15 2.04 -1.78 -0.69 117.51 122.50 2kjs h ILE 10 Ca 0.22 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 2kjs h ILE 10 Cb 0.25 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2kjs h ILE 10 CO -0.25 0.29 0.07 -0.26 0.00 0.00 0.00 178.15 178.00 2kjs h PHE 11 N 0.32 0.44 -0.56 1.37 -1.00 -1.15 0.31 116.94 116.66 2kjs h PHE 11 Ca 0.09 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 2kjs h PHE 11 Cb 0.41 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.82 2kjs h PHE 11 CO 0.03 0.49 0.28 0.00 -1.61 0.00 0.00 178.31 177.50 2kjs h ARG 12 N 0.26 0.80 -0.19 1.51 3.08 -0.18 0.49 114.38 120.14 2kjs h ARG 12 Ca 0.08 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2kjs h ARG 12 Cb 0.27 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2kjs h ARG 12 CO -0.00 0.64 -0.01 0.37 -1.07 0.00 0.00 179.97 179.90 2kjs h GLN 13 N 0.75 0.34 -0.35 0.04 5.75 -1.02 1.96 115.11 122.59 2kjs h GLN 13 Ca 0.19 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 58.53 2kjs h GLN 13 Cb 0.10 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2kjs h GLN 13 CO -0.03 0.55 0.02 0.28 -2.65 0.00 0.00 178.83 177.00 2kjs h VAL 14 N 0.09 1.25 -0.57 2.39 2.07 -0.78 -2.87 116.25 117.83 2kjs h VAL 14 Ca 0.05 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2kjs h VAL 14 Cb 0.40 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2kjs h VAL 14 CO 0.01 0.31 0.00 0.49 0.02 0.00 0.00 177.57 178.40 2kjs n PHE 15 N -4.53 1.74 -2.20 1.57 3.72 0.17 -5.02 117.46 112.91 2kjs n PHE 15 Ca -0.02 -0.63 0.00 0.00 -0.05 0.00 0.00 57.45 56.75 2kjs n PHE 15 Cb 0.26 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 2kjs n PHE 15 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2kjs n ASP 16 N 0.77 -8.31 -4.51 4.37 -0.08 0.57 -4.63 116.55 104.73 2kjs n ASP 16 Ca 0.25 1.59 -0.57 0.00 -1.51 0.00 0.00 54.79 54.55 2kjs n ASP 16 Cb 1.02 -4.80 -0.09 0.00 2.34 0.00 0.00 41.12 39.60 2kjs n ASP 16 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kjs n ASP 17 N 1.91 1.77 -2.98 1.67 -0.08 0.38 -4.83 116.55 114.38 2kjs n ASP 17 Ca 0.00 0.78 -0.16 0.00 -1.51 0.00 0.00 54.79 53.90 2kjs n ASP 17 Cb 0.00 -1.09 -0.00 0.00 2.34 0.00 0.00 41.12 42.37 2kjs n ASP 17 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kjs n ASP 18 N 7.21 -1.18 -1.71 1.67 2.03 -1.26 -4.93 116.55 118.38 2kjs n ASP 18 Ca 0.39 -3.07 -0.10 0.00 0.52 0.00 0.00 54.79 52.53 2kjs n ASP 18 Cb 0.10 0.57 -0.03 0.00 -0.72 0.00 0.00 41.12 41.04 2kjs n ASP 18 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2kjs n SER 19 N 1.26 -2.96 -4.69 1.67 3.41 -1.26 -4.86 113.62 106.18 2kjs n SER 19 Ca 0.15 0.25 -0.42 0.00 -0.26 0.00 0.00 58.87 58.59 2kjs n SER 19 Cb 0.60 -2.74 -0.03 0.00 -0.26 0.00 0.00 64.21 61.78 2kjs n SER 19 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2kjs s ILE 20 N -2.10 4.07 -0.05 -1.33 1.01 -1.26 -5.02 121.20 116.52 2kjs s ILE 20 Ca 0.00 1.43 0.04 0.00 0.00 0.00 0.00 60.65 62.12 2kjs s ILE 20 Cb 0.00 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.55 2kjs s ILE 20 CO 0.00 0.03 -0.16 -0.69 0.00 0.00 0.00 174.94 174.12 2kjs s VAL 21 N 1.96 1.36 0.14 2.92 1.01 -1.26 -4.98 120.40 121.55 2kjs s VAL 21 Ca 0.58 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 2kjs s VAL 21 Cb -0.27 -1.18 -0.07 0.00 0.00 0.00 0.00 36.38 34.85 2kjs s VAL 21 CO 0.25 0.40 0.54 -0.76 0.00 0.00 0.00 175.10 175.52 2kjs s LEU 22 N 0.22 4.35 0.08 3.92 1.43 -1.26 -5.09 118.68 122.33 2kjs s LEU 22 Ca -0.07 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.11 2kjs s LEU 22 Cb -0.13 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.83 2kjs s LEU 22 CO 0.03 0.12 -0.08 0.42 0.23 0.00 0.00 176.35 177.07 2kjs s THR 23 N -1.44 0.71 0.23 5.49 -4.23 -1.26 -5.05 115.64 110.09 2kjs s THR 23 Ca 0.37 -1.61 -0.03 0.00 -1.18 0.00 0.00 61.69 59.24 2kjs s THR 23 Cb -0.15 -1.28 0.07 0.00 1.34 0.00 0.00 72.50 72.47 2kjs s THR 23 CO 0.19 -0.65 1.68 0.03 -0.54 0.00 0.00 174.62 175.33 2kjs h ARG 24 N 3.57 0.78 0.00 3.99 2.47 -2.01 -1.96 114.38 121.22 2kjs h ARG 24 Ca -0.36 -0.27 0.00 0.00 -1.26 0.00 0.00 59.98 58.09 2kjs h ARG 24 Cb 1.18 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 2kjs h ARG 24 CO 0.55 0.87 0.00 0.39 0.56 0.00 0.00 179.97 182.34 2kjs n GLU 25 N -4.15 0.38 -1.87 0.04 -0.58 -1.26 -4.61 120.64 108.58 2kjs n GLU 25 Ca 0.01 0.04 -0.42 0.00 -0.42 0.00 0.00 57.16 56.37 2kjs n GLU 25 Cb 0.38 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.72 2kjs n GLU 25 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2kjs s THR 26 N -2.13 2.39 -0.13 2.62 2.01 -0.74 -4.90 115.64 114.75 2kjs s THR 26 Ca 0.19 0.29 0.15 0.00 0.31 0.00 0.00 61.69 62.62 2kjs s THR 26 Cb 0.09 -3.18 0.35 0.00 0.01 0.00 0.00 72.50 69.77 2kjs s THR 26 CO 0.17 0.03 1.17 -1.54 -0.69 0.00 0.00 174.62 173.76 2kjs n SER 27 N 3.56 1.60 0.00 3.53 3.41 -1.26 -3.94 113.62 120.51 2kjs n SER 27 Ca 0.13 -3.20 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 2kjs n SER 27 Cb 0.38 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2kjs n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kjs n ALA 28 N -0.82 0.00 0.57 7.33 0.00 -1.26 -4.62 120.51 121.72 2kjs n ALA 28 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.69 2kjs n ALA 28 Cb 0.76 -0.52 -0.12 0.00 0.00 0.00 0.00 19.45 19.56 2kjs n ALA 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kjs n ASN 29 N 0.00 0.58 -0.20 0.00 5.15 -1.26 -4.36 115.26 115.17 2kjs n ASN 29 Ca 0.00 -0.54 -0.07 0.00 -0.60 0.00 0.00 54.58 53.37 2kjs n ASN 29 Cb 0.00 1.35 0.03 0.00 -0.53 0.00 0.00 39.78 40.63 2kjs n ASN 29 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2kjs h ASP 30 N 0.00 0.73 -3.61 1.20 3.32 -1.95 -3.39 116.42 112.71 2kjs h ASP 30 Ca 0.00 -0.10 -0.66 0.00 0.02 0.00 0.00 57.03 56.29 2kjs h ASP 30 Cb 0.71 -0.19 -0.24 0.00 0.22 0.00 0.00 39.33 39.84 2kjs h ASP 30 CO 0.00 0.62 -0.62 -0.63 -1.72 0.00 0.00 179.24 176.89 2kjs s ILE 31 N -5.83 4.17 -0.09 0.35 1.01 -1.26 -4.96 121.20 114.59 2kjs s ILE 31 Ca -0.13 -0.39 0.26 0.00 0.00 0.00 0.00 60.65 60.39 2kjs s ILE 31 Cb 0.13 -3.03 0.31 0.00 0.01 0.00 0.00 42.46 39.88 2kjs s ILE 31 CO 0.77 0.23 1.78 -2.24 0.00 0.00 0.00 174.94 175.48 2kjs h ASP 32 N 8.24 0.00 0.00 3.58 3.04 -1.88 -3.13 116.42 126.27 2kjs h ASP 32 Ca -0.36 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.43 2kjs h ASP 32 Cb 1.15 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.44 2kjs h ASP 32 CO 0.59 0.09 0.00 0.00 -2.04 0.00 0.00 179.24 177.89 2kjs n ALA 33 N -2.13 2.03 -3.22 4.15 0.00 -1.26 -4.56 120.51 115.52 2kjs n ALA 33 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.00 2kjs n ALA 33 Cb 0.44 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 2kjs n ALA 33 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2kjs s TRP 34 N -0.51 3.64 0.42 0.00 -0.11 -1.19 -5.04 118.94 116.16 2kjs s TRP 34 Ca 0.00 -1.91 -0.24 0.00 1.22 0.00 0.00 56.10 55.17 2kjs s TRP 34 Cb 0.00 -3.95 -0.08 0.00 -1.50 0.00 0.00 33.47 27.94 2kjs s TRP 34 CO 0.00 -1.12 1.13 -0.51 -4.62 0.00 0.00 176.95 171.83 2kjs s ASP 35 N 2.47 6.50 0.36 5.86 1.01 -1.26 -4.93 116.67 126.68 2kjs s ASP 35 Ca 0.23 2.23 0.03 0.00 0.71 0.00 0.00 52.55 55.75 2kjs s ASP 35 Cb -0.08 -2.60 0.66 0.00 1.01 0.00 0.00 42.92 41.90 2kjs s ASP 35 CO -0.09 -0.68 2.00 0.28 0.21 0.00 0.00 175.17 176.89 2kjs h SER 36 N 2.43 0.67 -0.75 0.27 0.02 -1.98 -2.17 113.55 112.04 2kjs h SER 36 Ca -0.49 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.40 2kjs h SER 36 Cb 1.23 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 2kjs h SER 36 CO 0.62 0.51 0.32 0.25 -1.14 0.00 0.00 176.83 177.39 2kjs h LEU 37 N 0.78 1.00 -2.00 5.07 5.85 -2.02 -2.24 115.31 121.75 2kjs h LEU 37 Ca 0.21 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.82 2kjs h LEU 37 Cb -0.04 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 2kjs h LEU 37 CO -0.04 0.88 0.12 0.77 -0.34 0.00 0.00 178.44 179.83 2kjs h SER 38 N 1.06 0.00 -0.72 1.25 4.64 -1.77 -1.63 113.55 116.37 2kjs h SER 38 Ca 0.25 -0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.64 2kjs h SER 38 Cb 0.17 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.20 2kjs h SER 38 CO -0.03 0.00 0.41 -0.74 -0.87 0.00 0.00 176.83 175.61 2kjs h HIS 39 N 0.00 0.76 -0.60 4.77 -0.00 -1.34 -0.05 115.15 118.70 2kjs h HIS 39 Ca 0.08 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.41 2kjs h HIS 39 Cb 0.31 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.46 2kjs h HIS 39 CO -0.00 0.36 0.09 1.98 -0.00 0.00 0.00 177.93 180.36 2kjs h MET 40 N 0.75 0.96 -0.61 5.26 -1.53 -1.38 -2.70 114.93 115.68 2kjs h MET 40 Ca 0.33 -0.24 -0.08 0.00 -3.44 0.00 0.00 59.70 56.27 2kjs h MET 40 Cb 0.21 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.11 2kjs h MET 40 CO -0.19 0.89 0.08 -0.91 0.14 0.00 0.00 176.91 176.92 2kjs h ASN 41 N 0.91 0.97 -0.10 1.39 2.35 -1.16 -0.60 115.58 119.35 2kjs h ASN 41 Ca 0.19 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2kjs h ASN 41 Cb 0.40 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 2kjs h ASN 41 CO 0.01 0.99 0.06 -0.07 -1.65 0.00 0.00 177.43 176.76 2kjs h LEU 42 N 0.95 0.11 -0.51 1.61 3.38 -0.74 0.39 115.31 120.50 2kjs h LEU 42 Ca 0.19 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 2kjs h LEU 42 Cb 0.44 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2kjs h LEU 42 CO 0.01 0.12 -0.23 0.16 0.09 0.00 0.00 178.44 178.59 2kjs h ILE 43 N 0.10 1.27 -0.48 1.22 3.07 -1.43 -2.53 117.51 118.73 2kjs h ILE 43 Ca 0.03 -1.39 0.00 0.00 1.55 0.00 0.00 64.86 65.05 2kjs h ILE 43 Cb 0.02 1.15 -0.02 0.00 -0.27 0.00 0.00 36.82 37.69 2kjs h ILE 43 CO -0.01 0.48 0.30 0.58 -1.05 0.00 0.00 178.15 178.45 2kjs h VAL 44 N 0.84 1.14 -0.85 0.16 2.07 -0.88 -0.83 116.25 117.90 2kjs h VAL 44 Ca 0.11 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2kjs h VAL 44 Cb 0.80 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2kjs h VAL 44 CO 0.07 0.14 0.45 0.77 0.02 0.00 0.00 177.57 179.01 2kjs h SER 45 N 0.64 1.08 -0.59 0.57 4.64 -0.83 -2.36 113.55 116.69 2kjs h SER 45 Ca 0.17 -0.10 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 2kjs h SER 45 Cb -0.03 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.76 2kjs h SER 45 CO -0.03 0.88 0.14 -0.07 -0.87 0.00 0.00 176.83 176.87 2kjs h LEU 46 N 1.20 0.91 0.40 5.97 3.38 -0.99 0.19 115.31 126.36 2kjs h LEU 46 Ca 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2kjs h LEU 46 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2kjs h LEU 46 CO -0.04 0.91 -0.26 -0.33 0.09 0.00 0.00 178.44 178.81 2kjs h GLU 47 N 0.86 -0.61 -0.55 1.13 5.08 -0.72 0.39 114.58 120.16 2kjs h GLU 47 Ca 0.19 0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.47 2kjs h GLU 47 Cb 0.36 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2kjs h GLU 47 CO 0.00 -0.41 -0.09 -0.24 -1.00 0.00 0.00 179.01 177.28 2kjs h VAL 48 N -0.63 1.27 -0.09 3.13 3.04 -1.41 2.33 116.25 123.88 2kjs h VAL 48 Ca -0.04 -1.25 -0.01 0.00 -1.01 0.00 0.00 66.70 64.39 2kjs h VAL 48 Cb 0.53 0.93 -0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2kjs h VAL 48 CO 0.03 0.44 0.03 -0.74 -1.01 0.00 0.00 177.57 176.33 2kjs h HIS 49 N 0.93 0.14 -0.00 3.17 -0.00 -0.45 -2.97 115.15 115.97 2kjs h HIS 49 Ca 0.15 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.50 2kjs h HIS 49 Cb 0.66 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.03 2kjs h HIS 49 CO 0.04 0.26 -0.43 0.66 -0.00 0.00 0.00 177.93 178.47 2kjs n TYR 50 N -4.92 0.00 -3.22 5.26 4.01 0.14 -4.97 117.16 113.45 2kjs n TYR 50 Ca -0.06 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.53 2kjs n TYR 50 Cb 0.12 -0.15 0.07 0.00 -0.31 0.00 0.00 39.34 39.07 2kjs n TYR 50 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2kjs n LYS 51 N -1.00 -3.91 -4.13 -0.72 4.81 0.75 -5.02 118.16 108.93 2kjs n LYS 51 Ca 0.09 0.80 -0.13 0.00 -0.87 0.00 0.00 58.31 58.20 2kjs n LYS 51 Cb 0.35 -5.59 -0.07 0.00 0.02 0.00 0.00 35.03 29.74 2kjs n LYS 51 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 2kjs s ILE 52 N -3.35 0.00 0.03 3.15 -4.36 0.10 -4.99 121.20 111.78 2kjs s ILE 52 Ca 0.24 -1.76 0.06 0.00 -0.26 0.00 0.00 60.65 58.93 2kjs s ILE 52 Cb -0.03 -2.44 -0.02 0.00 1.25 0.00 0.00 42.46 41.21 2kjs s ILE 52 CO 0.69 0.00 -0.18 -1.59 0.24 0.00 0.00 174.94 174.09 2kjs s LYS 53 N -3.83 1.26 -0.04 0.37 -2.85 -1.26 -4.35 119.74 109.04 2kjs s LYS 53 Ca 0.33 -0.84 -0.00 0.00 -1.00 0.00 0.00 55.97 54.46 2kjs s LYS 53 Cb 0.03 -1.32 -0.04 0.00 -2.06 0.00 0.00 37.83 34.44 2kjs s LYS 53 CO 0.15 0.34 0.02 -0.06 0.10 0.00 0.00 175.35 175.89 2kjs s PHE 54 N -0.75 3.16 0.29 1.78 0.08 -1.26 -5.10 117.98 116.18 2kjs s PHE 54 Ca 0.06 0.16 -0.24 0.00 0.12 0.00 0.00 56.93 57.03 2kjs s PHE 54 Cb -0.08 -1.74 -0.09 0.00 -0.57 0.00 0.00 43.02 40.54 2kjs s PHE 54 CO 0.01 0.49 0.87 0.00 -0.10 0.00 0.00 175.22 176.49 2kjs s ALA 55 N -1.02 3.27 0.18 5.36 0.00 -1.26 -4.96 121.76 123.33 2kjs s ALA 55 Ca 0.17 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.41 2kjs s ALA 55 Cb -0.12 -3.06 0.08 0.00 0.00 0.00 0.00 23.12 20.03 2kjs s ALA 55 CO 0.07 0.23 1.76 1.25 0.00 0.00 0.00 175.76 179.07 2kjs h LEU 56 N 3.18 0.81 -0.68 0.00 5.85 -1.99 0.13 115.31 122.61 2kjs h LEU 56 Ca -0.47 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.09 2kjs h LEU 56 Cb 1.19 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 2kjs h LEU 56 CO 0.65 0.72 0.36 1.23 -0.34 0.00 0.00 178.44 181.06 2kjs h GLY 57 N 0.84 1.02 2.00 3.75 0.00 -2.00 -1.87 103.07 106.80 2kjs h GLY 57 Ca 0.21 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 2kjs h GLY 57 CO -0.03 0.46 -0.37 -2.09 0.00 0.00 0.00 176.54 174.51 2kjs h GLU 58 N 0.93 0.00 -0.35 4.80 4.81 -1.89 -3.05 114.58 119.82 2kjs h GLU 58 Ca 0.24 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2kjs h GLU 58 Cb 0.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2kjs h GLU 58 CO -0.04 0.37 0.17 1.25 -0.73 0.00 0.00 179.01 180.04 2kjs h LEU 59 N 0.00 0.46 0.00 1.64 7.12 0.08 -1.88 115.31 122.73 2kjs h LEU 59 Ca -0.00 -0.13 0.00 0.00 0.13 0.00 0.00 57.88 57.88 2kjs h LEU 59 Cb 0.90 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.91 2kjs h LEU 59 CO 0.05 0.46 0.00 0.00 -0.13 0.00 0.00 178.44 178.82 2kjs n GLN 60 N -4.73 0.06 0.00 1.25 10.64 -1.06 -2.81 117.38 120.74 2kjs n GLN 60 Ca -0.01 0.08 0.14 0.00 -1.83 0.00 0.00 57.00 55.38 2kjs n GLN 60 Cb 0.11 -1.50 0.77 0.00 -0.86 0.00 0.00 30.24 28.76 2kjs n GLN 60 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2kjs n LYS 61 N -1.47 0.63 -2.99 2.61 3.00 -0.71 -4.66 118.16 114.58 2kjs n LYS 61 Ca 0.07 0.01 -0.43 0.00 -0.00 0.00 0.00 58.31 57.96 2kjs n LYS 61 Cb 0.27 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 33.74 2kjs n LYS 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kjs s LEU 62 N -2.31 4.38 0.00 3.14 1.43 -1.12 -4.85 118.68 119.35 2kjs s LEU 62 Ca 0.34 -0.35 0.15 0.00 -1.03 0.00 0.00 54.13 53.24 2kjs s LEU 62 Cb 0.19 -2.80 -0.09 0.00 0.03 0.00 0.00 46.19 43.52 2kjs s LEU 62 CO 0.38 -0.97 0.71 0.29 0.23 0.00 0.00 176.35 177.00 2kjs n LYS 63 N 6.73 1.97 -3.78 1.70 4.76 -1.26 -5.02 118.16 123.27 2kjs n LYS 63 Ca -0.00 -0.35 -0.10 0.00 -2.87 0.00 0.00 58.31 55.00 2kjs n LYS 63 Cb 0.47 -1.22 -0.04 0.00 -1.84 0.00 0.00 35.03 32.40 2kjs n LYS 63 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2kjs s ASN 64 N -2.14 -0.21 0.14 4.39 0.02 -1.26 -5.00 114.94 110.89 2kjs s ASN 64 Ca 0.09 -0.55 -0.14 0.00 -1.02 0.00 0.00 52.86 51.25 2kjs s ASN 64 Cb 0.12 0.55 0.02 0.00 0.02 0.00 0.00 41.25 41.96 2kjs s ASN 64 CO 0.51 -1.02 1.64 0.58 0.02 0.00 0.00 177.10 178.83 2kjs h VAL 65 N 2.26 1.24 -1.07 1.60 2.07 -1.88 -2.77 116.25 117.70 2kjs h VAL 65 Ca -0.29 -0.86 0.30 0.00 0.82 0.00 0.00 66.70 66.67 2kjs h VAL 65 Cb 1.26 0.88 -0.11 0.00 -1.52 0.00 0.00 31.29 31.80 2kjs h VAL 65 CO 0.39 0.31 0.67 1.23 0.02 0.00 0.00 177.57 180.19 2kjs h GLY 66 N 0.65 1.49 1.47 2.17 0.00 -1.85 0.90 103.07 107.91 2kjs h GLY 66 Ca 0.15 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 2kjs h GLY 66 CO 0.00 -0.25 -0.03 -0.55 0.00 0.00 0.00 176.54 175.71 2kjs h ASP 67 N 0.37 0.62 -0.60 0.19 3.32 -1.91 -2.54 116.42 115.86 2kjs h ASP 67 Ca 0.66 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.55 2kjs h ASP 67 Cb 1.65 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 41.01 2kjs h ASP 67 CO -0.40 0.71 0.31 0.25 -1.72 0.00 0.00 179.24 178.39 2kjs h LEU 68 N 0.61 0.77 -0.42 1.55 5.85 0.81 -0.46 115.31 124.02 2kjs h LEU 68 Ca 0.12 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2kjs h LEU 68 Cb 0.43 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2kjs h LEU 68 CO 0.02 0.66 0.18 0.00 -0.34 0.00 0.00 178.44 178.96 2kjs h ALA 69 N 1.14 0.54 -0.38 1.25 0.00 -1.17 -2.39 119.26 118.25 2kjs h ALA 69 Ca 0.21 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2kjs h ALA 69 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2kjs h ALA 69 CO -0.03 0.12 0.03 -0.44 0.00 0.00 0.00 179.25 178.93 2kjs h ASP 70 N 0.53 0.55 -0.65 0.00 3.32 -1.21 -2.49 116.42 116.47 2kjs h ASP 70 Ca 0.14 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 2kjs h ASP 70 Cb 0.15 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2kjs h ASP 70 CO -0.01 0.60 0.35 0.25 -1.72 0.00 0.00 179.24 178.70 2kjs h LEU 71 N 0.57 0.83 -0.27 1.55 5.85 -0.67 0.27 115.31 123.44 2kjs h LEU 71 Ca 0.12 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2kjs h LEU 71 Cb 0.32 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2kjs h LEU 71 CO 0.01 0.70 0.13 0.58 -0.34 0.00 0.00 178.44 179.52 2kjs h VAL 72 N 0.90 1.14 -0.58 1.05 2.07 -1.01 -0.63 116.25 119.18 2kjs h VAL 72 Ca 0.23 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 2kjs h VAL 72 Cb 0.06 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2kjs h VAL 72 CO -0.03 0.14 0.01 -0.78 0.02 0.00 0.00 177.57 176.93 2kjs h ASP 73 N 0.31 0.98 -0.52 0.57 1.82 -1.20 -2.04 116.42 116.34 2kjs h ASP 73 Ca 0.09 -0.26 -0.01 0.00 -0.39 0.00 0.00 57.03 56.46 2kjs h ASP 73 Cb 0.11 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.83 2kjs h ASP 73 CO -0.01 1.02 0.28 0.50 -1.61 0.00 0.00 179.24 179.42 2kjs h LYS 74 N 0.92 0.72 -0.54 0.28 3.64 -0.19 0.19 116.57 121.60 2kjs h LYS 74 Ca 0.17 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2kjs h LYS 74 Cb 0.52 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2kjs h LYS 74 CO 0.03 0.57 0.24 0.87 -2.27 0.00 0.00 179.45 178.89 2kjs h LYS 75 N 0.69 0.79 -0.60 1.90 1.79 -0.94 0.34 116.57 120.54 2kjs h LYS 75 Ca 0.18 -0.13 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 2kjs h LYS 75 Cb 0.06 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 2kjs h LYS 75 CO -0.03 0.66 0.25 -0.07 -1.08 0.00 0.00 179.45 179.19 2kjs h LEU 76 N 0.73 0.81 -0.65 2.94 3.38 -1.05 -1.38 115.31 120.09 2kjs h LEU 76 Ca 0.18 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2kjs h LEU 76 Cb 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2kjs h LEU 76 CO -0.02 0.75 0.07 0.00 0.09 0.00 0.00 178.44 179.32 2kjs h ALA 77 N 1.10 0.86 -0.60 1.53 0.00 -0.67 -2.37 119.26 119.11 2kjs h ALA 77 Ca 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2kjs h ALA 77 Cb 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2kjs h ALA 77 CO -0.02 0.66 0.28 -0.09 0.00 0.00 0.00 179.25 180.09 2kjs h ARG 78 N 1.01 0.87 -0.91 0.00 2.43 -0.62 -2.16 114.38 114.99 2kjs h ARG 78 Ca 0.19 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2kjs h ARG 78 Cb 0.49 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 2kjs h ARG 78 CO 0.02 0.71 0.51 -0.22 -1.51 0.00 0.00 179.97 179.48 2kjs h LYS 79 N 0.82 1.26 -0.84 0.20 3.64 -1.07 -2.17 116.57 118.41 2kjs h LYS 79 Ca 0.20 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2kjs h LYS 79 Cb 0.13 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 2kjs h LYS 79 CO -0.02 0.91 0.38 -0.07 -2.27 0.00 0.00 179.45 178.38 2kjs h LEU 80 N 1.27 1.11 -1.16 5.20 3.38 -1.04 -2.33 115.31 121.74 2kjs h LEU 80 Ca 0.32 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2kjs h LEU 80 Cb 0.01 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2kjs h LEU 80 CO -0.05 0.95 -0.09 -0.33 0.09 0.00 0.00 178.44 179.01 2kjs h GLU 81 N 1.20 0.48 -6.67 1.13 4.39 -0.86 -3.42 114.58 110.83 2kjs h GLU 81 Ca 0.29 -0.12 -0.52 0.00 0.34 0.00 0.00 59.36 59.34 2kjs h GLU 81 Cb 0.15 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2kjs h GLU 81 CO -0.03 0.57 0.52 -1.01 -1.16 0.00 0.00 179.01 177.90 2kjs s HIS 82 N -4.80 3.51 -0.07 4.33 3.76 -0.87 -5.04 115.29 116.11 2kjs s HIS 82 Ca -0.07 1.52 0.02 0.00 -0.15 0.00 0.00 55.06 56.38 2kjs s HIS 82 Cb 0.15 -3.35 -0.02 0.00 1.11 0.00 0.00 32.58 30.46 2kjs s HIS 82 CO 0.77 -0.90 -0.13 -1.01 -0.85 0.00 0.00 174.74 172.62 2kjs s HIS 83 N -0.20 2.76 0.01 1.40 3.76 -1.26 -4.94 115.29 116.82 2kjs s HIS 83 Ca 0.51 -0.27 -0.27 0.00 -0.15 0.00 0.00 55.06 54.88 2kjs s HIS 83 Cb -0.31 -1.70 0.06 0.00 1.11 0.00 0.00 32.58 31.74 2kjs s HIS 83 CO 0.36 0.09 0.61 -1.58 -0.85 0.00 0.00 174.74 173.37 2kjs s HIS 84 N -0.43 -0.56 -0.02 1.40 5.04 -1.26 -5.18 115.29 114.28 2kjs s HIS 84 Ca 0.05 0.79 -0.16 0.00 -1.54 0.00 0.00 55.06 54.20 2kjs s HIS 84 Cb -0.12 0.41 0.03 0.00 0.04 0.00 0.00 32.58 32.93 2kjs s HIS 84 CO 0.02 -0.65 0.35 -3.38 -2.34 0.00 0.00 174.74 168.74 2kjs s HIS 85 N -1.97 -0.24 -0.08 3.88 -3.43 -1.26 -5.14 115.29 107.05 2kjs s HIS 85 Ca -0.08 0.38 -0.24 0.00 -0.80 0.00 0.00 55.06 54.33 2kjs s HIS 85 Cb -0.01 0.13 -0.03 0.00 -1.43 0.00 0.00 32.58 31.24 2kjs s HIS 85 CO 0.03 -0.40 0.73 -1.58 -2.00 0.00 0.00 174.74 171.51 2kjs s HIS 86 N -1.25 3.56 -2.00 0.38 2.46 -1.26 -5.38 115.29 111.81 2kjs s HIS 86 Ca -0.13 1.27 0.21 0.00 0.47 0.00 0.00 55.06 56.88 2kjs s HIS 86 Cb -0.05 -2.84 1.28 0.00 -0.13 0.00 0.00 32.58 30.84 2kjs s HIS 86 CO 0.05 0.04 1.66 1.58 -2.47 0.00 0.00 174.74 175.60