#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 3.65 0.00 0.03 0.04 -1.26 -4.89 135.00 132.57 2kjs s PRO 2 Ca 0.00 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.53 2kjs s PRO 2 Cb 0.00 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.59 2kjs s PRO 2 CO 0.00 -1.49 0.00 2.41 0.04 0.00 0.00 177.00 177.96 2kjs n THR 3 N 6.82 0.00 0.01 1.26 -1.04 -1.26 -4.28 114.28 115.79 2kjs n THR 3 Ca 0.11 0.37 -0.16 0.00 -2.04 0.00 0.00 64.05 62.34 2kjs n THR 3 Cb 0.49 -1.37 -0.05 0.00 -1.82 0.00 0.00 70.33 67.58 2kjs n THR 3 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2kjs h LEU 4 N 0.00 0.80 -1.82 -4.42 5.85 -1.92 -3.04 115.31 110.76 2kjs h LEU 4 Ca 0.00 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.17 2kjs h LEU 4 Cb 0.00 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.79 2kjs h LEU 4 CO 0.00 1.33 0.00 0.44 -0.34 0.00 0.00 178.44 179.87 2kjs h ASP 5 N 0.44 0.00 -0.04 1.25 3.32 -1.95 -2.29 116.42 117.14 2kjs h ASP 5 Ca -0.06 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.77 2kjs h ASP 5 Cb 1.44 0.00 0.02 0.00 0.22 0.00 0.00 39.33 41.00 2kjs h ASP 5 CO 0.16 0.00 -0.82 0.00 -1.72 0.00 0.00 179.24 176.86 2kjs h ALA 6 N 2.05 0.16 -0.50 3.45 0.00 -1.71 -3.29 119.26 119.41 2kjs h ALA 6 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 2kjs h ALA 6 Cb 0.23 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2kjs h ALA 6 CO 0.00 0.57 -0.14 -0.07 0.00 0.00 0.00 179.25 179.61 2kjs h LEU 7 N 0.28 0.99 -0.47 0.00 3.38 -1.48 -3.31 115.31 114.69 2kjs h LEU 7 Ca -0.09 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.55 2kjs h LEU 7 Cb 1.48 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.91 2kjs h LEU 7 CO 0.16 1.13 -0.28 0.35 0.09 0.00 0.00 178.44 179.90 2kjs n THR 8 N -4.17 -0.32 -0.20 0.22 -2.24 -1.06 0.62 114.28 107.13 2kjs n THR 8 Ca 0.00 1.86 -0.03 0.00 -2.27 0.00 0.00 64.05 63.62 2kjs n THR 8 Cb 0.41 -2.37 0.08 0.00 -2.10 0.00 0.00 70.33 66.35 2kjs n THR 8 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2kjs h PRO 9 N 0.00 0.53 -0.29 -0.78 0.13 -1.71 0.49 132.00 130.37 2kjs h PRO 9 Ca 0.08 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 2kjs h PRO 9 Cb 0.19 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.19 2kjs h PRO 9 CO -0.44 0.35 0.04 0.82 -0.23 0.00 0.00 178.00 178.54 2kjs h ILE 10 N 0.55 1.23 -0.40 -3.56 2.04 -1.35 -1.56 117.51 114.46 2kjs h ILE 10 Ca 0.27 -0.80 -0.10 0.00 1.00 0.00 0.00 64.86 65.23 2kjs h ILE 10 Cb 0.20 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2kjs h ILE 10 CO -0.19 0.26 -0.12 -0.26 0.00 0.00 0.00 178.15 177.83 2kjs h PHE 11 N 0.30 0.89 -0.74 1.37 -1.00 0.49 -2.79 116.94 115.46 2kjs h PHE 11 Ca 0.09 -0.20 -0.02 0.00 2.81 0.00 0.00 57.97 60.65 2kjs h PHE 11 Cb 0.34 -0.21 -0.04 0.00 3.61 0.00 0.00 35.95 39.65 2kjs h PHE 11 CO 0.02 0.93 0.39 0.00 -1.61 0.00 0.00 178.31 178.04 2kjs h ARG 12 N 0.60 1.03 0.40 1.51 3.08 0.05 0.85 114.38 121.90 2kjs h ARG 12 Ca 0.10 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2kjs h ARG 12 Cb 0.66 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2kjs h ARG 12 CO 0.04 0.76 -0.19 0.37 -1.07 0.00 0.00 179.97 179.89 2kjs h GLN 13 N 1.03 -0.51 -0.32 0.04 5.75 -1.18 0.79 115.11 120.71 2kjs h GLN 13 Ca 0.26 0.03 -0.17 0.00 -0.15 0.00 0.00 58.65 58.62 2kjs h GLN 13 Cb 0.05 0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.71 2kjs h GLN 13 CO -0.04 -0.22 -0.47 -0.39 -2.65 0.00 0.00 178.83 175.06 2kjs h VAL 14 N -0.80 1.28 0.00 2.39 -1.51 -1.41 -2.72 116.25 113.48 2kjs h VAL 14 Ca -0.05 -1.65 0.00 0.00 -1.23 0.00 0.00 66.70 63.76 2kjs h VAL 14 Cb 0.53 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2kjs h VAL 14 CO 0.09 0.54 0.00 0.33 -1.23 0.00 0.00 177.57 177.30 2kjs n PHE 15 N -4.02 0.00 -1.86 5.19 7.35 0.30 -4.85 117.46 119.57 2kjs n PHE 15 Ca -0.03 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.46 2kjs n PHE 15 Cb 0.58 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.35 2kjs n PHE 15 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2kjs n ASP 16 N -0.94 -5.50 -3.12 -2.13 -0.08 -0.24 -3.99 116.55 100.55 2kjs n ASP 16 Ca 0.18 0.34 -0.00 0.00 -1.51 0.00 0.00 54.79 53.79 2kjs n ASP 16 Cb 0.08 -4.77 -0.00 0.00 2.34 0.00 0.00 41.12 38.77 2kjs n ASP 16 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2kjs n ASP 17 N -1.54 -7.11 -3.44 1.67 5.75 0.26 -4.98 116.55 107.16 2kjs n ASP 17 Ca -0.22 0.71 -0.25 0.00 -0.01 0.00 0.00 54.79 55.03 2kjs n ASP 17 Cb 0.67 -1.61 -0.11 0.00 -1.03 0.00 0.00 41.12 39.04 2kjs n ASP 17 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kjs s ASP 18 N -0.47 2.50 -1.53 -1.12 2.15 -1.26 -4.86 116.67 112.08 2kjs s ASP 18 Ca -0.00 -1.80 0.00 0.00 0.43 0.00 0.00 52.55 51.17 2kjs s ASP 18 Cb 0.00 -0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.54 2kjs s ASP 18 CO 0.01 -0.32 0.00 -1.20 -0.17 0.00 0.00 175.17 173.49 2kjs n SER 19 N 4.36 -3.91 -4.72 -0.34 7.64 -1.26 -4.90 113.62 110.48 2kjs n SER 19 Ca 0.08 0.34 -0.41 0.00 1.01 0.00 0.00 58.87 59.89 2kjs n SER 19 Cb 0.40 -3.57 -0.04 0.00 -1.01 0.00 0.00 64.21 59.99 2kjs n SER 19 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2kjs s ILE 20 N -2.28 4.63 0.00 0.44 2.07 -1.26 -4.90 121.20 119.89 2kjs s ILE 20 Ca 0.00 2.05 0.00 0.00 -1.41 0.00 0.00 60.65 61.29 2kjs s ILE 20 Cb 0.00 -4.31 0.00 0.00 0.13 0.00 0.00 42.46 38.28 2kjs s ILE 20 CO 0.00 0.25 0.00 0.52 -1.91 0.00 0.00 174.94 173.80 2kjs n VAL 21 N 3.24 0.00 -1.73 4.00 0.31 -1.26 -5.09 118.33 117.79 2kjs n VAL 21 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2kjs n VAL 21 Cb 0.50 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 2kjs n VAL 21 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2kjs n LEU 22 N -1.20 -3.36 -4.12 7.52 4.77 -1.26 -5.05 117.00 114.30 2kjs n LEU 22 Ca 0.00 2.95 -0.08 0.00 -0.03 0.00 0.00 56.01 58.85 2kjs n LEU 22 Cb 0.14 -3.10 -0.10 0.00 -2.33 0.00 0.00 43.42 38.03 2kjs n LEU 22 CO 0.00 0.06 -0.36 0.42 -1.33 0.00 0.00 177.39 176.19 2kjs s THR 23 N -2.92 0.31 0.19 -5.08 -4.23 -1.26 -5.03 115.64 97.62 2kjs s THR 23 Ca 0.00 -1.85 -0.12 0.00 -1.18 0.00 0.00 61.69 58.54 2kjs s THR 23 Cb 0.00 -1.63 0.11 0.00 1.34 0.00 0.00 72.50 72.32 2kjs s THR 23 CO 0.00 -0.89 1.83 -0.09 -0.54 0.00 0.00 174.62 174.92 2kjs h ARG 24 N 3.07 0.89 0.00 3.99 2.43 -1.97 -0.42 114.38 122.36 2kjs h ARG 24 Ca -0.34 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2kjs h ARG 24 Cb 1.15 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2kjs h ARG 24 CO 0.65 0.64 0.00 0.39 -1.51 0.00 0.00 179.97 180.13 2kjs n GLU 25 N -4.58 0.63 -1.79 0.20 -0.58 -1.26 -3.84 120.64 109.42 2kjs n GLU 25 Ca 0.05 0.02 -0.41 0.00 -0.42 0.00 0.00 57.16 56.40 2kjs n GLU 25 Cb 0.06 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 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 -2.16 2.06 0.15 2.62 2.01 -0.17 -5.01 115.64 115.13 2kjs s THR 26 Ca 0.32 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.43 2kjs s THR 26 Cb 0.16 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 2kjs s THR 26 CO 0.30 0.01 -0.11 -0.44 -0.69 0.00 0.00 174.62 173.68 2kjs s SER 27 N 0.27 1.91 0.27 3.53 0.01 -1.26 -3.67 113.70 114.76 2kjs s SER 27 Ca 0.60 -0.97 -0.04 0.00 1.31 0.00 0.00 55.95 56.85 2kjs s SER 27 Cb -0.47 -0.04 0.36 0.00 0.21 0.00 0.00 66.02 66.08 2kjs s SER 27 CO 0.53 -0.27 1.92 0.00 0.41 0.00 0.00 173.24 175.83 2kjs h ALA 28 N 2.93 1.36 0.00 1.44 0.00 -1.94 0.00 119.26 123.04 2kjs h ALA 28 Ca -0.37 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2kjs h ALA 28 Cb 1.20 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2kjs h ALA 28 CO 0.60 0.56 -0.01 -2.95 0.00 0.00 0.00 179.25 177.46 2kjs h ASN 29 N 1.25 0.00 0.64 0.00 7.08 -1.98 -2.39 115.58 120.17 2kjs h ASN 29 Ca 0.37 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.59 2kjs h ASN 29 Cb -0.04 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.20 2kjs h ASN 29 CO -0.11 0.01 0.00 -0.67 -2.08 0.00 0.00 177.43 174.58 2kjs n ASP 30 N -3.10 0.00 -4.47 6.14 -0.08 -0.03 -4.69 116.55 110.33 2kjs n ASP 30 Ca 0.01 0.05 -0.35 0.00 -1.51 0.00 0.00 54.79 53.00 2kjs n ASP 30 Cb 0.35 -0.34 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 2kjs n ASP 30 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2kjs s ILE 31 N -2.69 4.04 0.16 5.18 1.01 -0.90 -4.91 121.20 123.08 2kjs s ILE 31 Ca 0.23 -0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.46 2kjs s ILE 31 Cb 0.19 -2.82 0.05 0.00 0.01 0.00 0.00 42.46 39.88 2kjs s ILE 31 CO 0.45 0.43 1.74 -0.78 0.00 0.00 0.00 174.94 176.77 2kjs h ASP 32 N 7.41 0.70 -2.72 3.58 1.82 -1.84 -3.36 116.42 122.00 2kjs h ASP 32 Ca -0.36 -0.14 -0.68 0.00 -0.39 0.00 0.00 57.03 55.47 2kjs h ASP 32 Cb 1.18 -0.18 -0.18 0.00 0.68 0.00 0.00 39.33 40.83 2kjs h ASP 32 CO 0.62 0.65 0.47 0.00 -1.61 0.00 0.00 179.24 179.36 2kjs s ALA 33 N -5.66 3.32 -0.45 -0.78 0.00 -1.26 -4.87 121.76 112.05 2kjs s ALA 33 Ca -0.13 -2.29 0.07 0.00 0.00 0.00 0.00 51.96 49.61 2kjs s ALA 33 Cb 0.12 -3.79 0.23 0.00 0.00 0.00 0.00 23.12 19.67 2kjs s ALA 33 CO 0.77 -2.68 0.68 1.87 0.00 0.00 0.00 175.76 176.41 2kjs n TRP 34 N 6.79 -2.17 -2.64 0.00 -0.00 -1.26 -5.12 117.44 113.05 2kjs n TRP 34 Ca 0.03 -2.47 -0.37 0.00 -0.00 0.00 0.00 57.50 54.69 2kjs n TRP 34 Cb 0.46 0.78 -0.05 0.00 -0.00 0.00 0.00 31.31 32.49 2kjs n TRP 34 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 2kjs s ASP 35 N -0.97 7.09 0.23 5.87 2.15 -1.26 -4.95 116.67 124.83 2kjs s ASP 35 Ca 0.33 1.99 -0.07 0.00 0.43 0.00 0.00 52.55 55.22 2kjs s ASP 35 Cb 0.16 -2.59 0.22 0.00 -0.30 0.00 0.00 42.92 40.40 2kjs s ASP 35 CO -0.17 -0.25 1.88 0.28 -0.17 0.00 0.00 175.17 176.73 2kjs h SER 36 N 3.00 1.11 -0.76 -0.34 0.02 -2.00 -2.32 113.55 112.26 2kjs h SER 36 Ca -0.47 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.36 2kjs h SER 36 Cb 1.20 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 2kjs h SER 36 CO 0.64 0.86 0.32 -0.07 -1.14 0.00 0.00 176.83 177.44 2kjs h LEU 37 N 1.26 1.03 -1.54 5.07 3.38 -2.03 -1.61 115.31 120.87 2kjs h LEU 37 Ca 0.33 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2kjs h LEU 37 Cb -0.04 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.45 2kjs h LEU 37 CO -0.06 0.90 0.00 0.28 0.09 0.00 0.00 178.44 179.65 2kjs h SER 38 N 1.08 0.00 -0.69 -0.43 0.02 -1.82 -2.81 113.55 108.89 2kjs h SER 38 Ca 0.26 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 2kjs h SER 38 Cb 0.18 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 2kjs h SER 38 CO -0.03 0.00 0.37 -0.74 -1.14 0.00 0.00 176.83 175.29 2kjs h HIS 39 N 0.00 0.97 -0.72 3.45 6.17 -0.82 -2.09 115.15 122.10 2kjs h HIS 39 Ca 0.00 -0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.00 2kjs h HIS 39 Cb 0.32 -0.31 -0.03 0.00 2.52 0.00 0.00 27.41 29.91 2kjs h HIS 39 CO 0.00 0.70 0.26 0.52 0.71 0.00 0.00 177.93 180.11 2kjs h MET 40 N 0.96 1.10 -0.87 5.26 2.86 -1.58 -2.54 114.93 120.10 2kjs h MET 40 Ca 0.24 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2kjs h MET 40 Cb 0.06 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 2kjs h MET 40 CO -0.04 0.91 0.45 -0.97 1.06 0.00 0.00 176.91 178.32 2kjs h ASN 41 N 1.06 1.12 -0.56 1.22 -1.24 -1.54 -1.36 115.58 114.29 2kjs h ASN 41 Ca 0.24 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 2kjs h ASN 41 Cb 0.25 -0.29 -0.03 0.00 0.73 0.00 0.00 38.32 38.99 2kjs h ASN 41 CO -0.01 0.92 0.30 0.25 -1.29 0.00 0.00 177.43 177.60 2kjs h LEU 42 N 1.24 0.71 -0.56 0.34 6.46 -1.00 -1.04 115.31 121.46 2kjs h LEU 42 Ca 0.30 -0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.92 2kjs h LEU 42 Cb 0.08 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.80 2kjs h LEU 42 CO -0.04 0.61 0.19 0.40 -0.62 0.00 0.00 178.44 178.98 2kjs h ILE 43 N 0.75 1.23 -0.63 4.05 2.04 -1.11 -2.51 117.51 121.34 2kjs h ILE 43 Ca 0.20 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2kjs h ILE 43 Cb 0.06 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 2kjs h ILE 43 CO -0.03 0.29 0.40 0.58 0.00 0.00 0.00 178.15 179.39 2kjs h VAL 44 N 0.77 1.17 -0.44 1.67 2.07 -0.92 0.03 116.25 120.60 2kjs h VAL 44 Ca 0.18 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.38 2kjs h VAL 44 Cb 0.25 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2kjs h VAL 44 CO -0.01 0.17 0.23 -1.28 0.02 0.00 0.00 177.57 176.71 2kjs h SER 45 N 0.86 0.35 -0.66 0.57 0.87 -0.95 -1.06 113.55 113.53 2kjs h SER 45 Ca 0.23 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.75 2kjs h SER 45 Cb -0.06 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 2kjs h SER 45 CO -0.05 0.25 0.18 -0.07 -0.53 0.00 0.00 176.83 176.62 2kjs h LEU 46 N 0.47 0.98 -0.06 2.23 3.38 -1.06 0.17 115.31 121.42 2kjs h LEU 46 Ca 0.19 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2kjs h LEU 46 Cb 0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2kjs h LEU 46 CO -0.12 0.95 -0.03 -0.08 0.09 0.00 0.00 178.44 179.25 2kjs h GLU 47 N 0.97 -0.03 0.00 1.13 4.81 -0.39 -2.16 114.58 118.91 2kjs h GLU 47 Ca 0.21 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 2kjs h GLU 47 Cb 0.34 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2kjs h GLU 47 CO -0.00 -0.02 -0.40 0.28 -0.73 0.00 0.00 179.01 178.14 2kjs h VAL 48 N -0.03 0.90 0.41 0.32 2.07 -1.10 0.20 116.25 119.02 2kjs h VAL 48 Ca 0.04 -1.61 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 2kjs h VAL 48 Cb 0.09 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2kjs h VAL 48 CO -0.08 0.39 -0.29 -0.74 0.02 0.00 0.00 177.57 176.87 2kjs h HIS 49 N 0.00 -0.78 -0.01 1.57 -0.00 -0.02 -3.12 115.15 112.80 2kjs h HIS 49 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2kjs h HIS 49 Cb 0.95 0.29 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 2kjs h HIS 49 CO 0.00 -0.42 -0.27 0.66 -0.00 0.00 0.00 177.93 177.91 2kjs n TYR 50 N -4.13 0.00 -3.57 5.26 4.01 -1.03 -4.97 117.16 112.73 2kjs n TYR 50 Ca -0.08 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.44 2kjs n TYR 50 Cb 0.28 -0.10 0.05 0.00 -0.31 0.00 0.00 39.34 39.26 2kjs n TYR 50 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2kjs n LYS 51 N -0.54 -3.37 -4.30 -0.72 5.02 0.66 -5.01 118.16 109.90 2kjs n LYS 51 Ca 0.12 0.65 -0.16 0.00 -2.02 0.00 0.00 58.31 56.90 2kjs n LYS 51 Cb 0.36 -5.09 -0.10 0.00 -0.02 0.00 0.00 35.03 30.18 2kjs n LYS 51 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2kjs s ILE 52 N -3.53 1.15 -0.04 -0.18 -4.36 -0.99 -5.02 121.20 108.23 2kjs s ILE 52 Ca 0.24 -2.06 -0.01 0.00 -0.26 0.00 0.00 60.65 58.56 2kjs s ILE 52 Cb -0.06 -2.13 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 2kjs s ILE 52 CO 0.80 -0.51 0.04 -0.54 0.24 0.00 0.00 174.94 174.98 2kjs s LYS 53 N -3.80 3.00 -0.05 0.37 1.02 -1.26 -4.75 119.74 114.27 2kjs s LYS 53 Ca 0.23 -0.46 0.01 0.00 0.02 0.00 0.00 55.97 55.78 2kjs s LYS 53 Cb 0.04 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.50 2kjs s LYS 53 CO 0.05 0.67 -0.06 -0.06 -0.92 0.00 0.00 175.35 175.03 2kjs s PHE 54 N -1.04 2.94 0.46 3.18 0.08 -1.26 -5.11 117.98 117.22 2kjs s PHE 54 Ca 0.18 0.02 -0.21 0.00 0.12 0.00 0.00 56.93 57.04 2kjs s PHE 54 Cb -0.12 -1.69 -0.10 0.00 -0.57 0.00 0.00 43.02 40.54 2kjs s PHE 54 CO 0.08 0.35 0.99 0.00 -0.10 0.00 0.00 175.22 176.54 2kjs s ALA 55 N -0.85 2.96 0.17 5.36 0.00 -1.26 -4.93 121.76 123.20 2kjs s ALA 55 Ca 0.13 0.50 -0.13 0.00 0.00 0.00 0.00 51.96 52.46 2kjs s ALA 55 Cb -0.11 -3.20 0.06 0.00 0.00 0.00 0.00 23.12 19.87 2kjs s ALA 55 CO 0.03 -0.09 1.75 1.25 0.00 0.00 0.00 175.76 178.70 2kjs h LEU 56 N 1.73 0.74 -0.63 0.00 5.85 -1.99 -0.05 115.31 120.96 2kjs h LEU 56 Ca -0.49 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.05 2kjs h LEU 56 Cb 1.20 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2kjs h LEU 56 CO 0.60 0.67 0.24 1.23 -0.34 0.00 0.00 178.44 180.83 2kjs h GLY 57 N 0.76 1.02 1.53 3.75 0.00 -2.00 -2.42 103.07 105.71 2kjs h GLY 57 Ca 0.19 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 2kjs h GLY 57 CO -0.02 0.54 -0.31 0.83 0.00 0.00 0.00 176.54 177.58 2kjs h GLU 58 N 0.89 0.54 -0.51 4.80 5.08 -1.90 -2.59 114.58 120.89 2kjs h GLU 58 Ca 0.21 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2kjs h GLU 58 Cb 0.23 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2kjs h GLU 58 CO -0.01 0.78 0.25 1.25 -1.00 0.00 0.00 179.01 180.28 2kjs h LEU 59 N 0.46 0.67 -1.50 1.33 7.12 -0.69 -1.95 115.31 120.75 2kjs h LEU 59 Ca 0.06 -0.13 -0.05 0.00 0.13 0.00 0.00 57.88 57.89 2kjs h LEU 59 Cb 0.76 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.71 2kjs h LEU 59 CO 0.06 0.61 -0.22 1.56 -0.13 0.00 0.00 178.44 180.32 2kjs h GLN 60 N 0.68 0.00 -0.71 1.25 1.08 -1.33 -2.72 115.11 113.37 2kjs h GLN 60 Ca 0.18 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.33 2kjs h GLN 60 Cb 0.11 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 2kjs h GLN 60 CO -0.02 0.22 0.24 -0.22 -0.95 0.00 0.00 178.83 178.10 2kjs h LYS 61 N 0.00 1.08 -6.81 1.46 1.63 -0.95 -3.42 116.57 109.55 2kjs h LYS 61 Ca -0.00 -0.21 -0.52 0.00 -0.85 0.00 0.00 60.65 59.06 2kjs h LYS 61 Cb 0.55 -0.17 0.06 0.00 -0.60 0.00 0.00 32.23 32.07 2kjs h LYS 61 CO 0.03 0.91 0.69 -0.51 -3.45 0.00 0.00 179.45 177.11 2kjs s LEU 62 N -9.57 4.41 0.00 5.20 1.43 -1.03 -4.87 118.68 114.25 2kjs s LEU 62 Ca -0.11 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 2kjs s LEU 62 Cb 0.16 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2kjs s LEU 62 CO 0.83 -0.60 0.37 2.29 0.23 0.00 0.00 176.35 179.47 2kjs n LYS 63 N 1.55 0.00 -3.64 1.70 2.85 -1.26 -5.02 118.16 114.34 2kjs n LYS 63 Ca 0.03 -0.09 -0.03 0.00 -1.05 0.00 0.00 58.31 57.17 2kjs n LYS 63 Cb 0.41 -0.06 -0.01 0.00 -0.65 0.00 0.00 35.03 34.72 2kjs n LYS 63 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 2kjs s ASN 64 N -0.07 -0.16 0.15 -5.58 2.47 -1.26 -4.90 114.94 105.59 2kjs s ASN 64 Ca 0.00 -0.18 -0.14 0.00 0.42 0.00 0.00 52.86 52.96 2kjs s ASN 64 Cb 0.00 0.31 0.03 0.00 -1.45 0.00 0.00 41.25 40.14 2kjs s ASN 64 CO 0.00 -0.55 1.70 0.58 -3.72 0.00 0.00 177.10 175.11 2kjs h VAL 65 N 2.00 1.21 -0.85 -5.21 2.07 -1.86 -2.35 116.25 111.26 2kjs h VAL 65 Ca -0.23 -0.67 0.09 0.00 0.82 0.00 0.00 66.70 66.71 2kjs h VAL 65 Cb 1.21 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 2kjs h VAL 65 CO 0.27 0.25 0.51 1.23 0.02 0.00 0.00 177.57 179.84 2kjs h GLY 66 N 0.64 1.33 1.19 2.17 0.00 -1.79 -0.37 103.07 106.24 2kjs h GLY 66 Ca 0.16 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 2kjs h GLY 66 CO -0.01 0.17 0.22 -0.55 0.00 0.00 0.00 176.54 176.37 2kjs h ASP 67 N 0.86 0.95 -0.65 0.19 3.32 -1.86 -2.61 116.42 116.63 2kjs h ASP 67 Ca 0.40 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 2kjs h ASP 67 Cb 0.33 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2kjs h ASP 67 CO -0.23 0.88 0.31 0.25 -1.72 0.00 0.00 179.24 178.73 2kjs h LEU 68 N 0.99 0.84 -0.11 1.55 5.85 -0.59 -2.64 115.31 121.22 2kjs h LEU 68 Ca 0.22 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2kjs h LEU 68 Cb 0.26 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2kjs h LEU 68 CO -0.01 0.74 -0.06 0.00 -0.34 0.00 0.00 178.44 178.77 2kjs h ALA 69 N 1.14 0.03 -0.73 1.25 0.00 -0.91 -2.23 119.26 117.81 2kjs h ALA 69 Ca 0.22 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.32 2kjs h ALA 69 Cb 0.12 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 2kjs h ALA 69 CO -0.03 -0.52 0.25 0.22 0.00 0.00 0.00 179.25 179.18 2kjs h ASP 70 N -0.05 0.18 0.30 0.00 3.58 -1.25 -3.20 116.42 115.98 2kjs h ASP 70 Ca 0.06 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 2kjs h ASP 70 Cb 0.15 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2kjs h ASP 70 CO -0.14 0.06 -0.14 0.25 -2.88 0.00 0.00 179.24 176.38 2kjs h LEU 71 N 0.38 -0.34 -1.86 2.28 5.85 -1.05 -2.85 115.31 117.73 2kjs h LEU 71 Ca 0.41 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.14 2kjs h LEU 71 Cb 0.64 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2kjs h LEU 71 CO -0.43 -0.24 0.10 0.58 -0.34 0.00 0.00 178.44 178.12 2kjs h VAL 72 N -0.42 1.03 -0.26 1.05 2.07 -1.54 0.21 116.25 118.39 2kjs h VAL 72 Ca -0.04 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 67.29 2kjs h VAL 72 Cb 0.31 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2kjs h VAL 72 CO 0.07 0.04 -0.37 -0.78 0.02 0.00 0.00 177.57 176.55 2kjs h ASP 73 N 0.20 0.61 -0.37 0.57 1.82 -1.64 -2.25 116.42 115.35 2kjs h ASP 73 Ca 0.06 -0.26 -0.03 0.00 -0.39 0.00 0.00 57.03 56.41 2kjs h ASP 73 Cb -0.00 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 39.82 2kjs h ASP 73 CO -0.01 0.92 0.10 0.50 -1.61 0.00 0.00 179.24 179.13 2kjs h LYS 74 N 0.48 0.58 -0.60 0.28 3.64 -0.84 -1.79 116.57 118.32 2kjs h LYS 74 Ca 0.05 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2kjs h LYS 74 Cb 0.86 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 2kjs h LYS 74 CO 0.07 0.62 0.32 0.87 -2.27 0.00 0.00 179.45 179.06 2kjs h LYS 75 N 0.44 0.84 -0.79 1.90 1.79 -0.52 -2.20 116.57 118.03 2kjs h LYS 75 Ca 0.12 -0.10 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 2kjs h LYS 75 Cb 0.29 -0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 2kjs h LYS 75 CO 0.00 0.65 0.39 -0.07 -1.08 0.00 0.00 179.45 179.34 2kjs h LEU 76 N 0.81 1.03 -0.56 2.94 3.38 -1.31 -2.59 115.31 119.01 2kjs h LEU 76 Ca 0.21 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2kjs h LEU 76 Cb 0.06 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2kjs h LEU 76 CO -0.03 0.87 0.33 0.00 0.09 0.00 0.00 178.44 179.69 2kjs h ALA 77 N 1.20 0.72 -0.69 1.53 0.00 -0.88 -1.81 119.26 119.33 2kjs h ALA 77 Ca 0.27 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.29 2kjs h ALA 77 Cb 0.10 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 2kjs h ALA 77 CO -0.04 0.04 0.29 0.00 0.00 0.00 0.00 179.25 179.54 2kjs h ARG 78 N 0.65 0.46 -0.48 0.00 3.08 -1.02 -0.10 114.38 116.96 2kjs h ARG 78 Ca 0.23 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.30 2kjs h ARG 78 Cb 0.05 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 2kjs h ARG 78 CO -0.11 0.30 0.21 -0.22 -1.07 0.00 0.00 179.97 179.08 2kjs h LYS 79 N 0.47 0.40 0.00 0.04 3.64 -1.15 0.42 116.57 120.39 2kjs h LYS 79 Ca 0.36 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 2kjs h LYS 79 Cb 0.47 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2kjs h LYS 79 CO -0.33 0.26 0.00 1.28 -2.27 0.00 0.00 179.45 178.39 2kjs n LEU 80 N -4.95 0.00 -1.53 5.20 4.32 -0.21 -4.81 117.00 115.02 2kjs n LEU 80 Ca 0.04 0.00 -0.00 0.00 -0.02 0.00 0.00 56.01 56.03 2kjs n LEU 80 Cb 0.15 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 2kjs n LEU 80 CO 0.27 0.00 0.01 -0.62 -1.22 0.00 0.00 177.39 175.83 2kjs n GLU 81 N -0.78 -0.03 -0.28 3.23 -0.58 0.15 -4.94 120.64 117.41 2kjs n GLU 81 Ca 0.08 0.36 -0.03 0.00 -0.42 0.00 0.00 57.16 57.15 2kjs n GLU 81 Cb 0.04 -1.59 0.09 0.00 -0.57 0.00 0.00 31.44 29.40 2kjs n GLU 81 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2kjs h HIS 82 N -0.00 0.92 -0.86 -0.32 -0.00 -1.01 -2.08 115.15 111.80 2kjs h HIS 82 Ca -0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 2kjs h HIS 82 Cb 1.00 -0.31 -0.04 0.00 -0.00 0.00 0.00 27.41 28.07 2kjs h HIS 82 CO 0.00 0.54 0.48 0.45 -0.00 0.00 0.00 177.93 179.40 2kjs h HIS 83 N 0.97 1.17 0.00 5.26 3.86 -1.87 -3.45 115.15 121.09 2kjs h HIS 83 Ca 0.30 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2kjs h HIS 83 Cb -0.01 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.08 2kjs h HIS 83 CO -0.03 0.81 0.00 1.58 0.86 0.00 0.00 177.93 181.15 2kjs n HIS 84 N -4.38 0.00 -4.13 2.45 -0.00 -0.78 -4.86 115.22 103.52 2kjs n HIS 84 Ca 0.09 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.12 2kjs n HIS 84 Cb 0.09 -1.40 -0.13 0.00 -0.12 0.00 0.00 29.99 28.43 2kjs n HIS 84 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kjs s HIS 85 N -0.60 0.66 -0.35 1.57 3.76 -1.26 -4.95 115.29 114.11 2kjs s HIS 85 Ca 0.00 -0.33 -0.20 0.00 -0.15 0.00 0.00 55.06 54.39 2kjs s HIS 85 Cb 0.00 -0.40 0.03 0.00 1.11 0.00 0.00 32.58 33.32 2kjs s HIS 85 CO 0.00 -0.04 0.44 0.72 -0.85 0.00 0.00 174.74 175.01 2kjs n HIS 86 N 2.08 -2.72 1.88 1.40 8.25 -1.26 -5.14 115.22 119.71 2kjs n HIS 86 Ca -0.18 1.14 0.15 0.00 -0.26 0.00 0.00 57.72 58.56 2kjs n HIS 86 Cb 0.56 -2.74 0.89 0.00 1.12 0.00 0.00 29.99 29.82 2kjs n HIS 86 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70