#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 3.82 0.00 2.12 0.04 -1.26 -4.91 135.00 134.81 2kjs s PRO 2 Ca 0.00 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2kjs s PRO 2 Cb 0.00 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.68 2kjs s PRO 2 CO 0.00 -1.25 0.00 0.25 0.04 0.00 0.00 177.00 176.04 2kjs n THR 3 N 6.57 0.00 -0.14 1.26 -2.24 -1.26 -4.13 114.28 114.34 2kjs n THR 3 Ca 0.12 0.42 -0.09 0.00 -2.27 0.00 0.00 64.05 62.22 2kjs n THR 3 Cb 0.48 -1.41 0.04 0.00 -2.10 0.00 0.00 70.33 67.34 2kjs n THR 3 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2kjs h LEU 4 N 0.00 0.93 -1.58 3.22 -0.00 -1.96 -1.81 115.31 114.12 2kjs h LEU 4 Ca 0.00 -0.33 -0.02 0.00 -0.00 0.00 0.00 57.88 57.53 2kjs h LEU 4 Cb 0.00 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.39 2kjs h LEU 4 CO 0.00 1.09 0.10 -0.78 -0.00 0.00 0.00 178.44 178.85 2kjs h ASP 5 N 0.80 0.34 0.95 -0.43 1.82 -1.96 0.46 116.42 118.41 2kjs h ASP 5 Ca 0.11 -0.03 -0.21 0.00 -0.39 0.00 0.00 57.03 56.52 2kjs h ASP 5 Cb 0.73 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.62 2kjs h ASP 5 CO 0.06 0.32 -1.10 0.00 -1.61 0.00 0.00 179.24 176.91 2kjs h ALA 6 N 1.74 0.52 -0.02 -0.78 0.00 -1.66 -3.27 119.26 115.78 2kjs h ALA 6 Ca 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2kjs h ALA 6 Cb 0.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kjs h ALA 6 CO -0.01 1.19 -0.04 1.28 0.00 0.00 0.00 179.25 181.67 2kjs n LEU 7 N -3.23 1.95 0.10 0.00 4.77 -0.70 -4.27 117.00 115.61 2kjs n LEU 7 Ca -0.04 -0.65 -0.05 0.00 -0.03 0.00 0.00 56.01 55.25 2kjs n LEU 7 Cb 0.92 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.98 2kjs n LEU 7 CO 0.45 0.33 0.17 0.71 -1.33 0.00 0.00 177.39 177.72 2kjs h THR 8 N 2.99 0.00 -0.98 -5.08 1.35 -0.15 -2.65 112.91 108.40 2kjs h THR 8 Ca 0.00 -0.49 0.09 0.00 -0.55 0.00 0.00 66.41 65.46 2kjs h THR 8 Cb 0.67 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.01 2kjs h THR 8 CO 0.00 0.00 0.63 1.55 -0.25 0.00 0.00 175.52 177.45 2kjs h PRO 9 N -0.80 1.03 -0.15 4.72 0.13 -1.77 0.89 132.00 136.05 2kjs h PRO 9 Ca -0.03 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 2kjs h PRO 9 Cb 0.24 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2kjs h PRO 9 CO 0.05 0.68 0.05 0.82 -0.23 0.00 0.00 178.00 179.37 2kjs h ILE 10 N 1.06 1.18 -0.54 -3.56 2.04 -1.74 -1.05 117.51 114.90 2kjs h ILE 10 Ca 0.44 -0.56 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 2kjs h ILE 10 Cb 0.31 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2kjs h ILE 10 CO -0.20 0.17 0.07 -0.26 0.00 0.00 0.00 178.15 177.93 2kjs h PHE 11 N 0.06 0.97 -0.69 1.37 -1.00 -1.04 -0.76 116.94 115.85 2kjs h PHE 11 Ca 0.05 -0.14 0.01 0.00 2.81 0.00 0.00 57.97 60.69 2kjs h PHE 11 Cb 0.22 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.48 2kjs h PHE 11 CO -0.00 0.87 0.46 0.00 -1.61 0.00 0.00 178.31 178.03 2kjs h ARG 12 N 0.80 0.92 -0.45 1.51 3.08 -0.73 0.96 114.38 120.47 2kjs h ARG 12 Ca 0.16 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 2kjs h ARG 12 Cb 0.43 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2kjs h ARG 12 CO 0.01 0.61 -0.24 1.96 -1.07 0.00 0.00 179.97 181.25 2kjs h GLN 13 N 0.94 0.96 -0.39 0.04 4.20 -1.01 2.04 115.11 121.90 2kjs h GLN 13 Ca 0.25 -0.43 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 2kjs h GLN 13 Cb -0.10 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2kjs h GLN 13 CO -0.05 1.10 0.12 0.28 -0.67 0.00 0.00 178.83 179.60 2kjs h VAL 14 N 0.81 1.21 0.00 -0.54 2.07 -0.71 -2.92 116.25 116.17 2kjs h VAL 14 Ca 0.10 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2kjs h VAL 14 Cb 0.82 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2kjs h VAL 14 CO 0.07 0.25 -0.76 0.49 0.02 0.00 0.00 177.57 177.64 2kjs n PHE 15 N -4.61 0.47 0.00 1.57 3.72 0.29 -4.92 117.46 113.99 2kjs n PHE 15 Ca -0.01 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 2kjs n PHE 15 Cb 0.18 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.12 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 -2.08 0.00 -4.75 4.37 -0.08 0.69 -4.88 116.55 109.82 2kjs n ASP 16 Ca 0.03 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.90 2kjs n ASP 16 Cb 0.44 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.85 2kjs n ASP 16 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2kjs s ASP 17 N 0.00 7.38 0.54 1.67 1.01 -1.25 -4.86 116.67 121.16 2kjs s ASP 17 Ca 0.00 2.11 -0.00 0.00 0.71 0.00 0.00 52.55 55.37 2kjs s ASP 17 Cb 0.00 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.37 2kjs s ASP 17 CO 0.00 -0.08 0.40 0.47 0.21 0.00 0.00 175.17 176.17 2kjs n ASP 18 N 1.67 0.50 -2.04 0.27 8.00 -1.26 -4.39 116.55 119.30 2kjs n ASP 18 Ca -0.00 -1.43 -0.14 0.00 0.71 0.00 0.00 54.79 53.93 2kjs n ASP 18 Cb 0.46 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 2kjs n ASP 18 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2kjs n SER 19 N -2.98 -4.12 -0.21 -2.24 3.41 -1.26 -4.82 113.62 101.40 2kjs n SER 19 Ca 0.06 0.23 -0.07 0.00 -0.26 0.00 0.00 58.87 58.83 2kjs n SER 19 Cb 0.23 -3.60 0.03 0.00 -0.26 0.00 0.00 64.21 60.61 2kjs n SER 19 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2kjs h ILE 20 N 0.00 1.22 -4.48 -1.33 1.08 -2.01 -3.48 117.51 108.51 2kjs h ILE 20 Ca -0.32 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 2kjs h ILE 20 Cb 1.13 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 35.43 2kjs h ILE 20 CO 0.41 0.25 -0.82 0.52 -0.69 0.00 0.00 178.15 177.82 2kjs n VAL 21 N -4.52-11.34 -4.58 1.67 0.31 -1.26 -5.00 118.33 93.61 2kjs n VAL 21 Ca 0.03 2.75 -0.32 0.00 -0.01 0.00 0.00 64.34 66.80 2kjs n VAL 21 Cb 0.14 -5.13 -0.11 0.00 -0.91 0.00 0.00 33.84 27.82 2kjs n VAL 21 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2kjs s LEU 22 N -0.48 2.97 0.16 7.52 1.43 -1.26 -5.09 118.68 123.92 2kjs s LEU 22 Ca 0.00 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 2kjs s LEU 22 Cb 0.00 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 2kjs s LEU 22 CO 0.00 0.29 0.02 0.42 0.23 0.00 0.00 176.35 177.31 2kjs s THR 23 N -0.93 0.45 0.29 5.49 -4.23 -1.26 -5.02 115.64 110.42 2kjs s THR 23 Ca 0.15 -1.95 -0.01 0.00 -1.18 0.00 0.00 61.69 58.70 2kjs s THR 23 Cb -0.11 -2.09 0.19 0.00 1.34 0.00 0.00 72.50 71.83 2kjs s THR 23 CO 0.06 -0.47 1.87 0.03 -0.54 0.00 0.00 174.62 175.57 2kjs h ARG 24 N 2.76 0.89 0.00 3.99 3.08 -2.00 -0.85 114.38 122.25 2kjs h ARG 24 Ca -0.36 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.55 2kjs h ARG 24 Cb 1.20 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2kjs h ARG 24 CO 0.61 0.73 0.00 0.39 -1.07 0.00 0.00 179.97 180.63 2kjs n GLU 25 N -4.32 0.39 -1.74 0.04 4.71 -1.26 -4.33 120.64 114.12 2kjs n GLU 25 Ca 0.05 0.02 -0.42 0.00 -0.01 0.00 0.00 57.16 56.80 2kjs n GLU 25 Cb 0.16 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.07 2kjs n GLU 25 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2kjs n THR 26 N -1.30 0.71 -4.19 2.62 -1.04 -0.33 -5.00 114.28 105.76 2kjs n THR 26 Ca 0.13 -0.18 -0.11 0.00 -2.04 0.00 0.00 64.05 61.85 2kjs n THR 26 Cb 0.23 -1.99 -0.10 0.00 -1.82 0.00 0.00 70.33 66.65 2kjs n THR 26 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kjs s SER 27 N 0.71 1.24 0.39 8.00 0.01 -1.26 -4.12 113.70 118.66 2kjs s SER 27 Ca 0.67 -1.03 0.07 0.00 1.31 0.00 0.00 55.95 56.97 2kjs s SER 27 Cb -0.49 0.09 0.80 0.00 0.21 0.00 0.00 66.02 66.62 2kjs s SER 27 CO 0.43 -0.46 2.01 0.00 0.41 0.00 0.00 173.24 175.63 2kjs h ALA 28 N 2.90 1.71 -0.71 1.44 0.00 -1.94 -1.50 119.26 121.16 2kjs h ALA 28 Ca -0.36 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2kjs h ALA 28 Cb 1.17 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2kjs h ALA 28 CO 0.64 0.22 0.23 -0.91 0.00 0.00 0.00 179.25 179.44 2kjs h ASN 29 N 0.66 1.01 0.44 0.00 2.35 -2.00 0.25 115.58 118.30 2kjs h ASN 29 Ca 0.23 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2kjs h ASN 29 Cb 0.10 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.20 2kjs h ASN 29 CO -0.06 0.94 0.00 0.47 -1.65 0.00 0.00 177.43 177.13 2kjs n ASP 30 N -4.26 0.00 -0.08 5.81 8.00 -0.59 -3.02 116.55 122.41 2kjs n ASP 30 Ca 0.06 0.12 -0.10 0.00 0.71 0.00 0.00 54.79 55.58 2kjs n ASP 30 Cb 0.22 -0.34 -0.09 0.00 -0.02 0.00 0.00 41.12 40.89 2kjs n ASP 30 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2kjs n ILE 31 N -1.34 1.00 -3.67 0.53 5.41 -0.50 -4.96 119.36 115.84 2kjs n ILE 31 Ca 0.08 -0.47 -0.27 0.00 1.00 0.00 0.00 62.75 63.08 2kjs n ILE 31 Cb 0.17 -0.93 -0.01 0.00 -0.71 0.00 0.00 39.64 38.16 2kjs n ILE 31 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2kjs n ASP 32 N -2.82 -3.54 -0.62 4.38 -0.08 0.77 -4.73 116.55 109.90 2kjs n ASP 32 Ca -0.28 -0.60 -0.00 0.00 -1.51 0.00 0.00 54.79 52.40 2kjs n ASP 32 Cb 0.89 -2.92 -0.01 0.00 2.34 0.00 0.00 41.12 41.42 2kjs n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kjs n ALA 33 N -3.84 2.22 -3.16 -1.67 0.00 -1.26 -5.04 120.51 107.77 2kjs n ALA 33 Ca 0.02 -0.55 -0.45 0.00 0.00 0.00 0.00 53.44 52.46 2kjs n ALA 33 Cb 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 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 0.00 3.57 0.42 0.00 -0.11 -1.26 -5.03 118.94 116.52 2kjs s TRP 34 Ca 0.02 -1.86 -0.24 0.00 1.22 0.00 0.00 56.10 55.24 2kjs s TRP 34 Cb 0.03 -4.03 -0.08 0.00 -1.50 0.00 0.00 33.47 27.89 2kjs s TRP 34 CO -0.01 -1.20 1.16 -0.51 -4.62 0.00 0.00 176.95 171.77 2kjs s ASP 35 N 2.65 6.42 0.18 5.86 1.01 -1.26 -4.92 116.67 126.61 2kjs s ASP 35 Ca 0.26 2.30 -0.13 0.00 0.71 0.00 0.00 52.55 55.70 2kjs s ASP 35 Cb -0.08 -2.61 0.08 0.00 1.01 0.00 0.00 42.92 41.33 2kjs s ASP 35 CO -0.08 -0.74 1.82 0.28 0.21 0.00 0.00 175.17 176.66 2kjs h SER 36 N 2.42 0.68 -0.60 0.27 0.02 -2.00 -1.03 113.55 113.31 2kjs h SER 36 Ca -0.49 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.38 2kjs h SER 36 Cb 1.24 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 2kjs h SER 36 CO 0.62 0.53 0.25 -0.07 -1.14 0.00 0.00 176.83 177.01 2kjs h LEU 37 N 0.78 0.82 -1.06 5.07 3.38 -2.01 -2.58 115.31 119.71 2kjs h LEU 37 Ca 0.21 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2kjs h LEU 37 Cb -0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2kjs h LEU 37 CO -0.04 0.76 0.20 0.28 0.09 0.00 0.00 178.44 179.73 2kjs h SER 38 N 0.83 0.81 -0.53 -0.43 0.02 -1.86 -2.67 113.55 109.72 2kjs h SER 38 Ca 0.20 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2kjs h SER 38 Cb 0.19 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2kjs h SER 38 CO -0.02 0.75 0.33 -0.74 -1.14 0.00 0.00 176.83 176.01 2kjs h HIS 39 N 0.86 0.62 -1.00 3.45 -0.00 -0.81 -1.66 115.15 116.61 2kjs h HIS 39 Ca 0.20 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.61 2kjs h HIS 39 Cb 0.22 -0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 27.37 2kjs h HIS 39 CO 0.01 0.37 0.66 1.98 -0.00 0.00 0.00 177.93 180.96 2kjs h MET 40 N 0.67 1.28 -0.50 5.26 -1.53 -1.20 -1.70 114.93 117.20 2kjs h MET 40 Ca 0.20 -0.08 -0.05 0.00 -3.44 0.00 0.00 59.70 56.33 2kjs h MET 40 Cb -0.03 -0.29 -0.02 0.00 -0.55 0.00 0.00 31.60 30.71 2kjs h MET 40 CO -0.07 0.85 0.09 -0.91 0.14 0.00 0.00 176.91 177.01 2kjs h ASN 41 N 1.32 0.74 -0.63 1.39 2.35 -1.16 -2.40 115.58 117.19 2kjs h ASN 41 Ca 0.38 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2kjs h ASN 41 Cb -0.09 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 2kjs h ASN 41 CO -0.10 0.75 0.40 0.25 -1.65 0.00 0.00 177.43 177.08 2kjs h LEU 42 N 0.75 0.74 -0.49 1.61 5.85 -0.41 -1.08 115.31 122.28 2kjs h LEU 42 Ca 0.16 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2kjs h LEU 42 Cb 0.33 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2kjs h LEU 42 CO 0.00 0.56 0.15 0.40 -0.34 0.00 0.00 178.44 179.21 2kjs h ILE 43 N 0.85 1.23 -0.65 4.05 1.08 -1.18 -2.27 117.51 120.62 2kjs h ILE 43 Ca 0.23 -0.78 0.01 0.00 -0.39 0.00 0.00 64.86 63.93 2kjs h ILE 43 Cb -0.06 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 2kjs h ILE 43 CO -0.05 0.28 0.42 0.58 -0.69 0.00 0.00 178.15 178.70 2kjs h VAL 44 N 0.67 1.15 -0.75 1.67 2.07 -1.05 -1.20 116.25 118.80 2kjs h VAL 44 Ca 0.16 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2kjs h VAL 44 Cb 0.28 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 2kjs h VAL 44 CO -0.00 0.16 0.48 -1.28 0.02 0.00 0.00 177.57 176.94 2kjs h SER 45 N 0.86 0.88 -0.72 0.57 0.87 -1.00 -2.38 113.55 112.63 2kjs h SER 45 Ca 0.24 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 2kjs h SER 45 Cb -0.07 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.63 2kjs h SER 45 CO -0.06 0.66 0.27 -0.07 -0.53 0.00 0.00 176.83 177.09 2kjs h LEU 46 N 1.02 1.01 0.33 2.23 3.38 -0.86 0.10 115.31 122.52 2kjs h LEU 46 Ca 0.27 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2kjs h LEU 46 Cb -0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 2kjs h LEU 46 CO -0.06 0.92 -0.29 -0.33 0.09 0.00 0.00 178.44 178.77 2kjs h GLU 47 N 1.03 -0.61 -0.08 1.13 5.08 -0.75 -1.13 114.58 119.26 2kjs h GLU 47 Ca 0.24 0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 2kjs h GLU 47 Cb 0.24 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2kjs h GLU 47 CO -0.02 -0.41 -0.32 -0.24 -1.00 0.00 0.00 179.01 177.03 2kjs h VAL 48 N -0.63 1.26 -0.02 3.13 3.04 -1.38 2.39 116.25 124.03 2kjs h VAL 48 Ca -0.02 -1.23 0.00 0.00 -1.01 0.00 0.00 66.70 64.44 2kjs h VAL 48 Cb 0.57 1.56 -0.00 0.00 -2.01 0.00 0.00 31.29 31.40 2kjs h VAL 48 CO -0.04 0.36 0.01 -0.74 -1.01 0.00 0.00 177.57 176.16 2kjs h HIS 49 N 0.13 0.03 -0.16 3.17 -0.00 -0.29 -2.96 115.15 115.07 2kjs h HIS 49 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2kjs h HIS 49 Cb 0.64 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.04 2kjs h HIS 49 CO 0.01 0.02 0.00 0.66 -0.00 0.00 0.00 177.93 178.61 2kjs n TYR 50 N -5.07 0.19 -3.44 5.26 4.01 -0.47 -4.98 117.16 112.65 2kjs n TYR 50 Ca -0.07 -0.12 -0.19 0.00 -0.16 0.00 0.00 57.90 57.37 2kjs n TYR 50 Cb 0.03 -0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.12 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 1.15 -4.01 -4.27 -0.72 4.81 0.75 -5.02 118.16 110.85 2kjs n LYS 51 Ca 0.14 0.77 -0.15 0.00 -0.87 0.00 0.00 58.31 58.20 2kjs n LYS 51 Cb 0.51 -5.53 -0.10 0.00 0.02 0.00 0.00 35.03 29.92 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 -3.44 0.64 -0.11 3.15 -4.36 0.19 -4.97 121.20 112.29 2kjs s ILE 52 Ca 0.23 -1.99 0.03 0.00 -0.26 0.00 0.00 60.65 58.66 2kjs s ILE 52 Cb -0.04 -2.33 0.01 0.00 1.25 0.00 0.00 42.46 41.35 2kjs s ILE 52 CO 0.76 -0.29 -0.21 -0.75 0.24 0.00 0.00 174.94 174.70 2kjs s LYS 53 N -3.96 2.81 -0.03 0.37 2.47 -1.26 -4.34 119.74 115.79 2kjs s LYS 53 Ca 0.30 -0.79 -0.03 0.00 -1.56 0.00 0.00 55.97 53.89 2kjs s LYS 53 Cb 0.07 -2.22 -0.04 0.00 -1.46 0.00 0.00 37.83 34.17 2kjs s LYS 53 CO 0.08 0.05 0.15 -0.06 0.16 0.00 0.00 175.35 175.73 2kjs s PHE 54 N 0.65 3.48 0.14 4.03 0.08 -1.26 -5.11 117.98 120.00 2kjs s PHE 54 Ca -0.12 0.35 -0.03 0.00 0.12 0.00 0.00 56.93 57.25 2kjs s PHE 54 Cb -0.16 -1.83 -0.05 0.00 -0.57 0.00 0.00 43.02 40.41 2kjs s PHE 54 CO 0.03 0.64 0.35 0.00 -0.10 0.00 0.00 175.22 176.13 2kjs s ALA 55 N -1.23 3.85 0.25 5.36 0.00 -1.26 -5.00 121.76 123.73 2kjs s ALA 55 Ca 0.24 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 2kjs s ALA 55 Cb -0.12 -2.03 0.30 0.00 0.00 0.00 0.00 23.12 21.26 2kjs s ALA 55 CO 0.14 0.65 1.82 1.37 0.00 0.00 0.00 175.76 179.75 2kjs h LEU 56 N 2.68 0.94 -0.96 0.00 8.10 -1.99 -2.37 115.31 121.72 2kjs h LEU 56 Ca -0.46 -0.14 0.04 0.00 0.11 0.00 0.00 57.88 57.43 2kjs h LEU 56 Cb 1.17 -0.24 -0.06 0.00 -0.44 0.00 0.00 40.66 41.09 2kjs h LEU 56 CO 0.72 0.85 0.62 1.23 -4.11 0.00 0.00 178.44 177.75 2kjs h GLY 57 N 1.07 1.41 1.20 0.17 0.00 -1.99 -0.30 103.07 104.63 2kjs h GLY 57 Ca 0.23 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 2kjs h GLY 57 CO -0.02 0.39 -0.11 0.83 0.00 0.00 0.00 176.54 177.62 2kjs h GLU 58 N 1.19 0.94 -0.71 4.80 4.39 -1.86 -2.89 114.58 120.43 2kjs h GLU 58 Ca 0.39 -0.34 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 2kjs h GLU 58 Cb 0.04 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2kjs h GLU 58 CO -0.13 1.00 0.17 -0.07 -1.16 0.00 0.00 179.01 178.81 2kjs h LEU 59 N 0.84 1.07 -2.67 1.33 3.38 -0.83 -1.72 115.31 116.71 2kjs h LEU 59 Ca 0.13 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2kjs h LEU 59 Cb 0.65 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2kjs h LEU 59 CO 0.05 1.03 0.03 1.56 0.09 0.00 0.00 178.44 181.20 2kjs h GLN 60 N 1.07 0.00 -0.00 1.13 4.20 -0.88 0.40 115.11 121.04 2kjs h GLN 60 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2kjs h GLN 60 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2kjs h GLN 60 CO 0.00 0.00 -0.32 1.63 -0.67 0.00 0.00 178.83 179.47 2kjs n LYS 61 N -2.94 0.52 -3.51 1.46 5.02 -0.65 -4.83 118.16 113.24 2kjs n LYS 61 Ca -0.03 -0.29 -0.37 0.00 -2.02 0.00 0.00 58.31 55.60 2kjs n LYS 61 Cb 0.10 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.54 2kjs n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kjs s LEU 62 N -2.68 4.20 0.00 -0.35 1.43 0.14 -4.91 118.68 116.51 2kjs s LEU 62 Ca 0.20 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 2kjs s LEU 62 Cb 0.19 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 44.03 2kjs s LEU 62 CO 0.58 0.04 0.58 2.29 0.23 0.00 0.00 176.35 180.07 2kjs n LYS 63 N 3.94 0.00 -3.69 1.70 2.85 -1.26 -5.00 118.16 116.69 2kjs n LYS 63 Ca -0.11 -0.58 -0.14 0.00 -1.05 0.00 0.00 58.31 56.43 2kjs n LYS 63 Cb 0.52 -0.50 -0.08 0.00 -0.65 0.00 0.00 35.03 34.32 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 -0.16 -0.30 0.14 -5.58 2.47 -1.26 -4.94 114.94 105.31 2kjs s ASN 64 Ca 0.00 0.18 -0.15 0.00 0.42 0.00 0.00 52.86 53.31 2kjs s ASN 64 Cb 0.00 0.38 0.01 0.00 -1.45 0.00 0.00 41.25 40.20 2kjs s ASN 64 CO 0.00 -0.53 1.70 0.58 -3.72 0.00 0.00 177.10 175.13 2kjs h VAL 65 N 3.49 1.20 -0.53 -5.21 2.07 -1.84 -2.17 116.25 113.26 2kjs h VAL 65 Ca -0.30 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 2kjs h VAL 65 Cb 1.18 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2kjs h VAL 65 CO 0.41 0.22 0.26 1.23 0.02 0.00 0.00 177.57 179.71 2kjs h GLY 66 N 0.58 0.79 1.05 2.17 0.00 -1.85 -1.88 103.07 103.93 2kjs h GLY 66 Ca 0.15 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 2kjs h GLY 66 CO -0.01 0.34 0.30 -0.55 0.00 0.00 0.00 176.54 176.62 2kjs h ASP 67 N 0.74 1.09 -0.62 0.19 3.32 -1.81 -1.87 116.42 117.46 2kjs h ASP 67 Ca 0.19 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2kjs h ASP 67 Cb 0.07 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 2kjs h ASP 67 CO -0.03 0.97 0.26 0.25 -1.72 0.00 0.00 179.24 178.98 2kjs h LEU 68 N 1.14 0.84 -1.15 1.55 6.46 -0.74 -2.23 115.31 121.18 2kjs h LEU 68 Ca 0.26 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 2kjs h LEU 68 Cb 0.23 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.91 2kjs h LEU 68 CO -0.02 0.77 0.38 0.00 -0.62 0.00 0.00 178.44 178.95 2kjs h ALA 69 N 1.11 1.35 -0.80 1.25 0.00 -1.03 -1.91 119.26 119.23 2kjs h ALA 69 Ca 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2kjs h ALA 69 Cb 0.18 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2kjs h ALA 69 CO -0.02 0.53 0.35 -0.44 0.00 0.00 0.00 179.25 179.67 2kjs h ASP 70 N 0.98 1.07 -0.86 0.00 3.32 -0.84 -2.40 116.42 117.68 2kjs h ASP 70 Ca 0.25 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2kjs h ASP 70 Cb 0.03 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 2kjs h ASP 70 CO -0.04 0.92 0.47 0.25 -1.72 0.00 0.00 179.24 179.12 2kjs h LEU 71 N 1.15 1.08 -0.59 1.55 5.85 -0.79 -2.18 115.31 121.39 2kjs h LEU 71 Ca 0.27 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.91 2kjs h LEU 71 Cb 0.16 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2kjs h LEU 71 CO -0.03 0.87 0.37 0.58 -0.34 0.00 0.00 178.44 179.90 2kjs h VAL 72 N 1.21 1.11 -0.66 1.05 2.07 -0.99 -1.58 116.25 118.46 2kjs h VAL 72 Ca 0.30 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 2kjs h VAL 72 Cb 0.03 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 2kjs h VAL 72 CO -0.05 0.14 0.29 0.44 0.02 0.00 0.00 177.57 178.41 2kjs h ASP 73 N 0.75 0.85 -0.56 0.57 3.32 -1.15 -1.65 116.42 118.55 2kjs h ASP 73 Ca 0.23 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2kjs h ASP 73 Cb -0.03 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 2kjs h ASP 73 CO -0.08 0.74 0.22 0.11 -1.72 0.00 0.00 179.24 178.52 2kjs h LYS 74 N 0.93 0.84 -0.37 3.56 1.57 -0.75 0.84 116.57 123.20 2kjs h LYS 74 Ca 0.23 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2kjs h LYS 74 Cb 0.13 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2kjs h LYS 74 CO -0.03 0.73 0.12 0.87 -0.57 0.00 0.00 179.45 180.58 2kjs h LYS 75 N 0.77 0.57 -0.50 3.15 1.79 -0.88 0.30 116.57 121.77 2kjs h LYS 75 Ca 0.19 -0.12 -0.04 0.00 -2.18 0.00 0.00 60.65 58.50 2kjs h LYS 75 Cb 0.20 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 2kjs h LYS 75 CO -0.02 0.57 0.18 -0.07 -1.08 0.00 0.00 179.45 179.04 2kjs h LEU 76 N 0.45 0.72 -1.04 2.94 3.38 -1.12 -2.47 115.31 118.17 2kjs h LEU 76 Ca 0.12 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 2kjs h LEU 76 Cb 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2kjs h LEU 76 CO -0.01 0.71 -0.34 0.00 0.09 0.00 0.00 178.44 178.90 2kjs h ALA 77 N 1.03 1.19 -0.51 1.53 0.00 -0.65 -2.66 119.26 119.18 2kjs h ALA 77 Ca 0.16 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2kjs h ALA 77 Cb 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2kjs h ALA 77 CO -0.01 0.54 0.33 -0.09 0.00 0.00 0.00 179.25 180.02 2kjs h ARG 78 N 0.21 0.66 -0.35 0.00 9.65 0.05 0.45 114.38 125.05 2kjs h ARG 78 Ca 0.03 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.81 2kjs h ARG 78 Cb 0.71 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.13 2kjs h ARG 78 CO 0.05 0.43 -0.00 0.87 2.80 0.00 0.00 179.97 184.13 2kjs h LYS 79 N 0.68 0.62 -0.61 0.20 1.57 -1.33 0.59 116.57 118.28 2kjs h LYS 79 Ca 0.19 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2kjs h LYS 79 Cb -0.06 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2kjs h LYS 79 CO -0.05 0.74 0.22 -0.07 -0.57 0.00 0.00 179.45 179.72 2kjs h LEU 80 N 0.44 0.87 0.00 2.94 3.38 -1.12 -2.13 115.31 119.68 2kjs h LEU 80 Ca 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2kjs h LEU 80 Cb 0.46 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2kjs h LEU 80 CO 0.02 0.82 -0.15 -0.62 0.09 0.00 0.00 178.44 178.60 2kjs n GLU 81 N -4.42 0.04 0.00 1.13 -0.58 0.16 -4.90 120.64 112.06 2kjs n GLU 81 Ca 0.04 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2kjs n GLU 81 Cb 0.19 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 2kjs n GLU 81 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2kjs n HIS 82 N -1.61 0.00 -0.21 -0.32 8.25 0.20 -0.46 115.22 121.08 2kjs n HIS 82 Ca 0.06 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.49 2kjs n HIS 82 Cb 0.35 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.53 2kjs n HIS 82 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kjs h HIS 83 N 0.00 0.67 -5.91 4.41 3.86 -1.90 -3.46 115.15 112.82 2kjs h HIS 83 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2kjs h HIS 83 Cb 0.00 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 2kjs h HIS 83 CO 0.00 0.36 -0.84 1.58 0.86 0.00 0.00 177.93 179.88 2kjs n HIS 84 N -4.76 -1.35 -0.68 2.45 -0.00 0.39 -4.95 115.22 106.32 2kjs n HIS 84 Ca 0.06 0.67 0.00 0.00 0.46 0.00 0.00 57.72 58.91 2kjs n HIS 84 Cb 0.11 -1.97 0.00 0.00 -0.12 0.00 0.00 29.99 28.02 2kjs n HIS 84 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2kjs n HIS 85 N 1.49 0.00 -2.64 1.57 1.44 -1.26 -5.07 115.22 110.75 2kjs n HIS 85 Ca -0.05 -0.11 -0.39 0.00 -2.01 0.00 0.00 57.72 55.16 2kjs n HIS 85 Cb 0.30 -0.01 -0.05 0.00 0.12 0.00 0.00 29.99 30.35 2kjs n HIS 85 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kjs s HIS 86 N -0.22 3.74 0.00 -1.40 4.02 -1.26 -5.31 115.29 114.86 2kjs s HIS 86 Ca 0.00 1.80 0.00 0.00 1.02 0.00 0.00 55.06 57.88 2kjs s HIS 86 Cb 0.00 -3.09 0.00 0.00 -1.02 0.00 0.00 32.58 28.47 2kjs s HIS 86 CO 0.00 -0.02 0.00 1.58 1.02 0.00 0.00 174.74 177.32