#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 3.61 0.00 3.17 0.04 -1.26 -4.90 135.00 135.65 2kjs s PRO 2 Ca 0.00 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.37 2kjs s PRO 2 Cb 0.00 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.61 2kjs s PRO 2 CO 0.00 -1.36 0.00 2.41 0.04 0.00 0.00 177.00 178.09 2kjs n THR 3 N 6.64 0.00 -0.19 1.26 -1.04 -1.26 -4.07 114.28 115.62 2kjs n THR 3 Ca 0.09 0.44 -0.09 0.00 -2.04 0.00 0.00 64.05 62.45 2kjs n THR 3 Cb 0.49 -1.44 0.01 0.00 -1.82 0.00 0.00 70.33 67.57 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 0.90 -1.43 -4.42 5.85 -1.93 -2.21 115.31 112.06 2kjs h LEU 4 Ca 0.00 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.44 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 0.95 0.00 0.44 -0.34 0.00 0.00 178.44 179.49 2kjs h ASP 5 N 0.81 0.00 1.08 1.25 3.32 -1.96 -1.95 116.42 118.98 2kjs h ASP 5 Ca 0.16 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.07 2kjs h ASP 5 Cb 0.46 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2kjs h ASP 5 CO 0.02 0.00 -0.97 0.00 -1.72 0.00 0.00 179.24 176.56 2kjs h ALA 6 N 2.09 0.64 -0.00 3.45 0.00 -1.55 -3.28 119.26 120.61 2kjs h ALA 6 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2kjs h ALA 6 Cb 0.30 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2kjs h ALA 6 CO 0.00 0.81 -0.32 1.28 0.00 0.00 0.00 179.25 181.02 2kjs n LEU 7 N -3.08 0.78 0.15 0.00 4.77 -0.76 -4.03 117.00 114.83 2kjs n LEU 7 Ca -0.04 -0.13 -0.07 0.00 -0.03 0.00 0.00 56.01 55.74 2kjs n LEU 7 Cb 0.80 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 2kjs n LEU 7 CO 0.42 0.16 0.24 0.71 -1.33 0.00 0.00 177.39 177.59 2kjs h THR 8 N 0.72 0.00 -1.00 -5.08 1.35 -1.53 -2.45 112.91 104.91 2kjs h THR 8 Ca 0.00 -0.37 0.06 0.00 -0.55 0.00 0.00 66.41 65.55 2kjs h THR 8 Cb 0.49 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.84 2kjs h THR 8 CO 0.00 0.00 0.65 1.55 -0.25 0.00 0.00 175.52 177.47 2kjs h PRO 9 N -0.80 1.14 -0.39 4.72 0.13 -1.74 -0.35 132.00 134.72 2kjs h PRO 9 Ca -0.04 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.98 2kjs h PRO 9 Cb 0.33 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 31.18 2kjs h PRO 9 CO 0.07 0.76 0.10 0.82 -0.23 0.00 0.00 178.00 179.52 2kjs h ILE 10 N 1.18 1.22 -0.49 -3.56 2.04 -1.70 -1.40 117.51 114.80 2kjs h ILE 10 Ca 0.43 -0.76 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 2kjs h ILE 10 Cb 0.16 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2kjs h ILE 10 CO -0.17 0.26 -0.12 -0.26 0.00 0.00 0.00 178.15 177.86 2kjs h PHE 11 N 0.48 1.07 -0.48 1.37 -1.00 -0.99 -1.42 116.94 115.96 2kjs h PHE 11 Ca 0.12 -0.23 -0.00 0.00 2.81 0.00 0.00 57.97 60.67 2kjs h PHE 11 Cb 0.30 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 2kjs h PHE 11 CO 0.02 1.02 0.28 0.00 -1.61 0.00 0.00 178.31 178.02 2kjs h ARG 12 N 0.80 0.65 -0.37 1.51 3.08 -0.94 0.15 114.38 119.26 2kjs h ARG 12 Ca 0.12 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 2kjs h ARG 12 Cb 0.68 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2kjs h ARG 12 CO 0.05 0.49 -0.05 1.96 -1.07 0.00 0.00 179.97 181.34 2kjs h GLN 13 N 0.63 0.70 -0.36 0.04 4.20 -1.18 2.06 115.11 121.20 2kjs h GLN 13 Ca 0.17 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 2kjs h GLN 13 Cb 0.01 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2kjs h GLN 13 CO -0.03 0.83 0.14 0.28 -0.67 0.00 0.00 178.83 179.37 2kjs h VAL 14 N 0.50 1.20 -0.04 -0.54 2.07 -1.03 -2.67 116.25 115.74 2kjs h VAL 14 Ca 0.10 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2kjs h VAL 14 Cb 0.55 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2kjs h VAL 14 CO 0.03 0.22 0.00 0.49 0.02 0.00 0.00 177.57 178.33 2kjs n PHE 15 N -4.67 0.02 -0.79 1.57 3.72 0.50 -4.90 117.46 112.90 2kjs n PHE 15 Ca -0.01 -0.01 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 2kjs n PHE 15 Cb 0.15 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.67 2kjs n PHE 15 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2kjs n ASP 16 N 0.63 -2.23 -4.74 4.37 8.00 0.69 -4.85 116.55 118.43 2kjs n ASP 16 Ca 0.17 0.10 -0.41 0.00 0.71 0.00 0.00 54.79 55.36 2kjs n ASP 16 Cb 0.45 -1.91 -0.03 0.00 -0.02 0.00 0.00 41.12 39.60 2kjs n ASP 16 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kjs s ASP 17 N -1.21 7.07 0.00 -2.24 -1.08 -0.84 -4.91 116.67 113.46 2kjs s ASP 17 Ca 0.00 2.28 0.23 0.00 -0.52 0.00 0.00 52.55 54.55 2kjs s ASP 17 Cb 0.00 -2.61 1.07 0.00 -1.46 0.00 0.00 42.92 39.91 2kjs s ASP 17 CO 0.00 -0.37 1.76 0.47 0.52 0.00 0.00 175.17 177.55 2kjs n ASP 18 N 2.27 0.00 -2.72 -0.34 8.00 -1.26 -4.29 116.55 118.21 2kjs n ASP 18 Ca 0.04 0.31 -0.05 0.00 0.71 0.00 0.00 54.79 55.80 2kjs n ASP 18 Cb 0.44 -0.43 0.03 0.00 -0.02 0.00 0.00 41.12 41.15 2kjs n ASP 18 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2kjs n SER 19 N -1.43 -2.57 -0.08 -2.24 7.64 -1.26 -5.01 113.62 108.67 2kjs n SER 19 Ca 0.08 -2.40 -0.09 0.00 1.01 0.00 0.00 58.87 57.46 2kjs n SER 19 Cb 0.25 1.40 0.05 0.00 -1.01 0.00 0.00 64.21 64.90 2kjs n SER 19 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2kjs h ILE 20 N 3.45 1.28 -4.55 0.44 6.09 -1.96 -3.49 117.51 118.77 2kjs h ILE 20 Ca -0.05 -1.48 0.00 0.00 -1.37 0.00 0.00 64.86 61.96 2kjs h ILE 20 Cb 1.12 1.36 0.00 0.00 0.47 0.00 0.00 36.82 39.77 2kjs h ILE 20 CO 0.03 0.49 -0.86 0.52 -3.07 0.00 0.00 178.15 175.26 2kjs n VAL 21 N -4.07-11.86 -4.62 2.19 0.31 -1.26 -4.99 118.33 94.03 2kjs n VAL 21 Ca -0.01 2.86 -0.33 0.00 -0.01 0.00 0.00 64.34 66.84 2kjs n VAL 21 Cb 0.50 -5.38 -0.12 0.00 -0.91 0.00 0.00 33.84 27.93 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 -0.51 3.05 0.17 7.52 1.43 -1.26 -5.08 118.68 124.00 2kjs s LEU 22 Ca 0.00 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2kjs s LEU 22 Cb 0.00 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 2kjs s LEU 22 CO 0.00 0.26 -0.03 0.42 0.23 0.00 0.00 176.35 177.23 2kjs s THR 23 N -0.21 0.86 0.28 5.49 -4.23 -1.26 -5.03 115.64 111.54 2kjs s THR 23 Ca 0.02 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.51 2kjs s THR 23 Cb -0.13 -2.03 0.18 0.00 1.34 0.00 0.00 72.50 71.86 2kjs s THR 23 CO 0.03 -0.58 1.86 0.03 -0.54 0.00 0.00 174.62 175.42 2kjs h ARG 24 N 2.72 0.92 0.00 3.99 2.47 -1.99 -0.76 114.38 121.73 2kjs h ARG 24 Ca -0.37 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 2kjs h ARG 24 Cb 1.20 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 2kjs h ARG 24 CO 0.63 0.76 0.00 0.39 0.56 0.00 0.00 179.97 182.32 2kjs n GLU 25 N -4.31 0.41 -1.78 0.04 1.02 -1.26 -4.14 120.64 110.62 2kjs n GLU 25 Ca 0.05 0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.82 2kjs n GLU 25 Cb 0.18 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.08 2kjs n GLU 25 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2kjs s THR 26 N -2.52 2.04 0.18 2.62 2.01 -0.29 -4.93 115.64 114.75 2kjs s THR 26 Ca 0.26 0.03 -0.15 0.00 0.31 0.00 0.00 61.69 62.14 2kjs s THR 26 Cb 0.17 -3.02 0.02 0.00 0.01 0.00 0.00 72.50 69.68 2kjs s THR 26 CO 0.38 0.01 0.46 -0.94 -0.69 0.00 0.00 174.62 173.84 2kjs s SER 27 N 0.29 -0.19 0.17 3.53 1.04 -1.26 -3.05 113.70 114.23 2kjs s SER 27 Ca 0.60 -0.55 -0.14 0.00 0.48 0.00 0.00 55.95 56.33 2kjs s SER 27 Cb -0.48 0.54 0.11 0.00 0.10 0.00 0.00 66.02 66.29 2kjs s SER 27 CO 0.53 -1.00 1.77 0.00 0.98 0.00 0.00 173.24 175.52 2kjs h ALA 28 N 2.29 0.55 -0.39 5.32 0.00 -1.87 -1.26 119.26 123.90 2kjs h ALA 28 Ca -0.30 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 2kjs h ALA 28 Cb 1.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2kjs h ALA 28 CO 0.40 -0.17 -0.12 -0.97 0.00 0.00 0.00 179.25 178.39 2kjs h ASN 29 N 0.40 0.68 -0.70 0.00 -0.73 -1.96 -2.94 115.58 110.32 2kjs h ASN 29 Ca 0.20 -0.20 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 2kjs h ASN 29 Cb 0.15 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.52 2kjs h ASN 29 CO -0.17 0.82 0.43 0.44 -0.37 0.00 0.00 177.43 178.58 2kjs h ASP 30 N 0.63 0.83 -3.39 1.15 3.32 -1.69 -3.40 116.42 113.87 2kjs h ASP 30 Ca 0.11 -0.06 -0.63 0.00 0.02 0.00 0.00 57.03 56.47 2kjs h ASP 30 Cb 0.57 -0.21 -0.19 0.00 0.22 0.00 0.00 39.33 39.72 2kjs h ASP 30 CO 0.04 0.64 -0.60 -0.51 -1.72 0.00 0.00 179.24 177.09 2kjs s ILE 31 N -6.00 4.48 0.17 0.35 2.07 -0.56 -4.96 121.20 116.75 2kjs s ILE 31 Ca -0.13 -0.14 -0.12 0.00 -1.41 0.00 0.00 60.65 58.86 2kjs s ILE 31 Cb 0.14 -3.03 0.07 0.00 0.13 0.00 0.00 42.46 39.77 2kjs s ILE 31 CO 0.78 0.43 1.72 -0.78 -1.91 0.00 0.00 174.94 175.19 2kjs h ASP 32 N 7.10 0.82 -0.31 4.50 1.82 -1.79 -3.36 116.42 125.21 2kjs h ASP 32 Ca -0.36 -0.18 -0.25 0.00 -0.39 0.00 0.00 57.03 55.86 2kjs h ASP 32 Cb 1.17 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.95 2kjs h ASP 32 CO 0.65 0.77 0.79 0.00 -1.61 0.00 0.00 179.24 179.85 2kjs n ALA 33 N -2.37 1.34 -3.13 -0.78 0.00 -1.26 -4.67 120.51 109.64 2kjs n ALA 33 Ca 0.03 -2.77 -0.13 0.00 0.00 0.00 0.00 53.44 50.57 2kjs n ALA 33 Cb 0.17 -3.45 -0.04 0.00 0.00 0.00 0.00 19.45 16.13 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 12.77 -0.54 0.38 0.00 -0.11 -1.26 -5.09 118.94 125.09 2kjs s TRP 34 Ca 0.72 -1.06 -0.03 0.00 1.22 0.00 0.00 56.10 56.95 2kjs s TRP 34 Cb -0.01 -0.21 -0.04 0.00 -1.50 0.00 0.00 33.47 31.71 2kjs s TRP 34 CO 0.16 -1.07 0.64 0.34 -4.62 0.00 0.00 176.95 172.40 2kjs s ASP 35 N 0.86 6.34 0.20 5.86 2.15 -1.26 -5.00 116.67 125.82 2kjs s ASP 35 Ca 0.26 0.71 -0.10 0.00 0.43 0.00 0.00 52.55 53.85 2kjs s ASP 35 Cb -0.03 -2.14 0.13 0.00 -0.30 0.00 0.00 42.92 40.57 2kjs s ASP 35 CO -0.09 -0.36 1.78 -1.28 -0.17 0.00 0.00 175.17 175.05 2kjs h SER 36 N 0.85 0.96 -0.75 -0.34 0.87 -2.01 -2.63 113.55 110.51 2kjs h SER 36 Ca -0.48 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 59.92 2kjs h SER 36 Cb 1.21 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.88 2kjs h SER 36 CO 0.63 0.84 0.41 0.25 -0.53 0.00 0.00 176.83 178.42 2kjs h LEU 37 N 1.02 0.93 -0.87 2.23 6.46 -2.00 -2.46 115.31 120.62 2kjs h LEU 37 Ca 0.25 -0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.93 2kjs h LEU 37 Cb 0.15 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 39.79 2kjs h LEU 37 CO -0.03 0.76 0.57 -1.28 -0.62 0.00 0.00 178.44 177.84 2kjs h SER 38 N 1.03 0.96 -0.83 1.25 0.87 -1.88 -1.85 113.55 113.10 2kjs h SER 38 Ca 0.26 -0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.85 2kjs h SER 38 Cb 0.04 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 61.72 2kjs h SER 38 CO -0.04 0.67 0.53 -0.74 -0.53 0.00 0.00 176.83 176.72 2kjs h HIS 39 N 1.12 0.98 -0.63 2.24 -0.00 -1.10 -1.56 115.15 116.21 2kjs h HIS 39 Ca 0.33 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.66 2kjs h HIS 39 Cb -0.05 -0.32 -0.03 0.00 -0.00 0.00 0.00 27.41 27.01 2kjs h HIS 39 CO -0.02 0.54 0.13 0.52 -0.00 0.00 0.00 177.93 179.11 2kjs h MET 40 N 1.00 1.01 -0.83 5.26 2.07 -1.10 -2.62 114.93 119.72 2kjs h MET 40 Ca 0.34 -0.24 -0.03 0.00 -2.07 0.00 0.00 59.70 57.71 2kjs h MET 40 Cb 0.06 -0.13 -0.04 0.00 -1.87 0.00 0.00 31.60 29.62 2kjs h MET 40 CO -0.13 0.91 0.41 -0.91 1.07 0.00 0.00 176.91 178.25 2kjs h ASN 41 N 0.95 1.08 -0.72 1.22 2.35 -0.55 -2.20 115.58 117.70 2kjs h ASN 41 Ca 0.20 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2kjs h ASN 41 Cb 0.37 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 2kjs h ASN 41 CO 0.00 0.90 0.38 -0.07 -1.65 0.00 0.00 177.43 177.00 2kjs h LEU 42 N 1.18 0.92 -0.52 1.61 3.38 -0.96 -0.30 115.31 120.61 2kjs h LEU 42 Ca 0.29 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2kjs h LEU 42 Cb 0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2kjs h LEU 42 CO -0.04 0.77 0.23 0.40 0.09 0.00 0.00 178.44 179.89 2kjs h ILE 43 N 1.00 1.21 -0.48 1.22 2.04 -1.16 -2.48 117.51 118.86 2kjs h ILE 43 Ca 0.25 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 2kjs h ILE 43 Cb 0.06 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2kjs h ILE 43 CO -0.04 0.24 0.12 0.58 0.00 0.00 0.00 178.15 179.04 2kjs h VAL 44 N 0.70 1.24 0.01 1.67 2.07 -1.08 -0.87 116.25 119.99 2kjs h VAL 44 Ca 0.18 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 66.88 2kjs h VAL 44 Cb 0.15 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 2kjs h VAL 44 CO -0.02 0.30 -0.21 0.28 0.02 0.00 0.00 177.57 177.94 2kjs h SER 45 N 0.66 -0.62 -0.69 0.57 0.02 -0.84 -2.36 113.55 110.29 2kjs h SER 45 Ca 0.15 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 2kjs h SER 45 Cb 0.33 0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 2kjs h SER 45 CO 0.00 -0.28 0.19 -0.07 -1.14 0.00 0.00 176.83 175.53 2kjs h LEU 46 N -0.34 1.04 -0.06 5.07 4.07 -1.41 -1.81 115.31 121.86 2kjs h LEU 46 Ca 0.06 -0.22 0.01 0.00 0.08 0.00 0.00 57.88 57.80 2kjs h LEU 46 Cb 0.42 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 2kjs h LEU 46 CO -0.19 0.99 -0.08 -0.08 -1.08 0.00 0.00 178.44 178.00 2kjs h GLU 47 N 1.03 -0.05 -0.26 1.13 4.81 -0.63 -1.04 114.58 119.58 2kjs h GLU 47 Ca 0.22 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2kjs h GLU 47 Cb 0.34 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2kjs h GLU 47 CO -0.00 -0.03 0.11 0.28 -0.73 0.00 0.00 179.01 178.64 2kjs h VAL 48 N -0.05 1.16 -0.10 0.32 2.07 -1.54 0.79 116.25 118.90 2kjs h VAL 48 Ca 0.01 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.07 2kjs h VAL 48 Cb 0.08 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2kjs h VAL 48 CO -0.08 0.16 -0.07 -0.74 0.02 0.00 0.00 177.57 176.86 2kjs h HIS 49 N 0.27 -0.23 -0.01 1.57 -0.00 -1.01 -0.41 115.15 115.34 2kjs h HIS 49 Ca 0.09 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 2kjs h HIS 49 Cb 0.15 0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.67 2kjs h HIS 49 CO -0.02 -0.05 -0.06 0.66 -0.00 0.00 0.00 177.93 178.47 2kjs n TYR 50 N -3.19 0.00 -3.57 5.26 4.01 -0.42 -4.95 117.16 114.30 2kjs n TYR 50 Ca -0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.50 2kjs n TYR 50 Cb 0.04 -0.06 0.05 0.00 -0.31 0.00 0.00 39.34 39.05 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 -0.50 -2.57 -4.30 -0.72 5.02 0.26 -5.01 118.16 110.35 2kjs n LYS 51 Ca 0.18 0.62 -0.16 0.00 -2.02 0.00 0.00 58.31 56.93 2kjs n LYS 51 Cb 0.27 -4.90 -0.10 0.00 -0.02 0.00 0.00 35.03 30.28 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 -3.50 1.30 -0.12 -0.18 -4.36 -0.31 -5.00 121.20 109.03 2kjs s ILE 52 Ca 0.33 -2.09 0.03 0.00 -0.26 0.00 0.00 60.65 58.66 2kjs s ILE 52 Cb -0.09 -2.02 0.00 0.00 1.25 0.00 0.00 42.46 41.61 2kjs s ILE 52 CO 0.81 -0.61 -0.23 -0.75 0.24 0.00 0.00 174.94 174.40 2kjs s LYS 53 N -3.74 3.02 0.16 0.37 2.20 -1.26 -4.57 119.74 115.91 2kjs s LYS 53 Ca 0.21 -0.86 -0.15 0.00 -0.36 0.00 0.00 55.97 54.80 2kjs s LYS 53 Cb 0.02 -2.35 -0.07 0.00 -1.51 0.00 0.00 37.83 33.92 2kjs s LYS 53 CO 0.04 0.08 0.58 -0.06 -0.36 0.00 0.00 175.35 175.64 2kjs s PHE 54 N 0.57 3.61 0.04 4.03 0.08 -1.26 -5.07 117.98 119.98 2kjs s PHE 54 Ca -0.13 1.13 -0.10 0.00 0.12 0.00 0.00 56.93 57.95 2kjs s PHE 54 Cb -0.17 -2.42 -0.05 0.00 -0.57 0.00 0.00 43.02 39.81 2kjs s PHE 54 CO 0.04 0.41 0.35 0.00 -0.10 0.00 0.00 175.22 175.92 2kjs s ALA 55 N -1.48 3.76 0.38 5.36 0.00 -1.26 -4.97 121.76 123.56 2kjs s ALA 55 Ca 0.39 -0.41 0.19 0.00 0.00 0.00 0.00 51.96 52.12 2kjs s ALA 55 Cb -0.15 -2.23 1.13 0.00 0.00 0.00 0.00 23.12 21.87 2kjs s ALA 55 CO 0.19 0.57 1.71 1.25 0.00 0.00 0.00 175.76 179.49 2kjs h LEU 56 N 4.04 0.46 -1.56 0.00 5.85 -2.00 0.81 115.31 122.90 2kjs h LEU 56 Ca -0.50 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 2kjs h LEU 56 Cb 1.20 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2kjs h LEU 56 CO 0.65 -0.01 0.02 1.23 -0.34 0.00 0.00 178.44 179.99 2kjs h GLY 57 N 0.35 0.32 1.19 3.75 0.00 -1.99 -2.53 103.07 104.16 2kjs h GLY 57 Ca 0.68 -0.16 -0.20 0.00 0.00 0.00 0.00 47.33 47.65 2kjs h GLY 57 CO -0.42 0.15 -0.66 0.83 0.00 0.00 0.00 176.54 176.45 2kjs h GLU 58 N 0.30 0.82 -0.64 4.80 5.08 0.25 -3.04 114.58 122.15 2kjs h GLU 58 Ca 0.07 -0.59 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 2kjs h GLU 58 Cb 0.17 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2kjs h GLU 58 CO 0.00 1.21 0.38 -0.07 -1.00 0.00 0.00 179.01 179.53 2kjs h LEU 59 N 0.60 0.78 0.00 1.33 -0.00 -1.10 -0.34 115.31 116.58 2kjs h LEU 59 Ca -0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2kjs h LEU 59 Cb 1.27 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 2kjs h LEU 59 CO 0.14 0.62 0.00 0.00 -0.00 0.00 0.00 178.44 179.20 2kjs n GLN 60 N -4.58 0.05 0.00 1.13 10.64 -1.04 -1.76 117.38 121.82 2kjs n GLN 60 Ca 0.05 0.20 0.12 0.00 -1.83 0.00 0.00 57.00 55.54 2kjs n GLN 60 Cb 0.06 -1.50 0.29 0.00 -0.86 0.00 0.00 30.24 28.23 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 -1.45 0.39 -3.22 2.61 3.00 -0.15 -4.86 118.16 114.48 2kjs n LYS 61 Ca 0.05 -0.23 -0.39 0.00 -0.00 0.00 0.00 58.31 57.74 2kjs n LYS 61 Cb 0.18 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 33.65 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 -2.77 4.37 0.00 3.14 1.43 -0.72 -4.89 118.68 119.23 2kjs s LEU 62 Ca 0.17 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 2kjs s LEU 62 Cb 0.18 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.52 2kjs s LEU 62 CO 0.62 0.05 0.00 0.29 0.23 0.00 0.00 176.35 177.55 2kjs n LYS 63 N 3.06 3.03 -4.10 1.70 5.02 -1.26 -5.05 118.16 120.56 2kjs n LYS 63 Ca -0.06 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.09 2kjs n LYS 63 Cb 0.51 -0.58 -0.05 0.00 -0.02 0.00 0.00 35.03 34.90 2kjs n LYS 63 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2kjs s ASN 64 N -0.76 0.74 0.16 4.39 0.01 -1.26 -4.81 114.94 113.40 2kjs s ASN 64 Ca 0.00 -1.41 -0.13 0.00 -0.71 0.00 0.00 52.86 50.61 2kjs s ASN 64 Cb 0.00 0.62 0.04 0.00 0.41 0.00 0.00 41.25 42.32 2kjs s ASN 64 CO 0.00 -1.21 1.69 0.58 -1.51 0.00 0.00 177.10 176.65 2kjs h VAL 65 N 2.18 1.23 -0.96 1.60 2.07 -1.84 -2.70 116.25 117.84 2kjs h VAL 65 Ca -0.28 -0.75 0.13 0.00 0.82 0.00 0.00 66.70 66.61 2kjs h VAL 65 Cb 1.24 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.67 2kjs h VAL 65 CO 0.39 0.28 0.58 1.23 0.02 0.00 0.00 177.57 180.08 2kjs h GLY 66 N 0.70 1.58 1.03 2.17 0.00 -1.76 0.09 103.07 106.88 2kjs h GLY 66 Ca 0.17 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 2kjs h GLY 66 CO -0.01 0.10 0.40 -0.55 0.00 0.00 0.00 176.54 176.49 2kjs h ASP 67 N 0.89 1.06 -0.63 0.19 3.32 -1.85 -1.94 116.42 117.46 2kjs h ASP 67 Ca 0.49 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.39 2kjs h ASP 67 Cb 0.54 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 2kjs h ASP 67 CO -0.29 0.89 0.31 0.25 -1.72 0.00 0.00 179.24 178.68 2kjs h LEU 68 N 1.15 0.82 -0.97 1.55 5.85 -0.82 -1.95 115.31 120.95 2kjs h LEU 68 Ca 0.28 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2kjs h LEU 68 Cb 0.10 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2kjs h LEU 68 CO -0.04 0.71 0.47 0.00 -0.34 0.00 0.00 178.44 179.25 2kjs h ALA 69 N 1.14 1.21 -0.33 1.25 0.00 -0.87 -1.76 119.26 119.91 2kjs h ALA 69 Ca 0.22 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2kjs h ALA 69 Cb 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2kjs h ALA 69 CO -0.03 0.64 -0.02 -0.44 0.00 0.00 0.00 179.25 179.40 2kjs h ASP 70 N 1.20 0.48 -0.39 0.00 3.32 -0.91 -2.65 116.42 117.48 2kjs h ASP 70 Ca 0.30 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2kjs h ASP 70 Cb 0.02 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2kjs h ASP 70 CO -0.05 0.57 0.22 0.25 -1.72 0.00 0.00 179.24 178.51 2kjs h LEU 71 N 0.49 0.48 -0.20 1.55 7.12 -0.57 0.38 115.31 124.56 2kjs h LEU 71 Ca 0.10 -0.08 0.01 0.00 0.13 0.00 0.00 57.88 58.04 2kjs h LEU 71 Cb 0.35 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.35 2kjs h LEU 71 CO 0.01 0.42 0.12 0.58 -0.13 0.00 0.00 178.44 179.44 2kjs h VAL 72 N 0.50 1.02 -0.47 1.05 2.07 -1.19 0.44 116.25 119.68 2kjs h VAL 72 Ca 0.14 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 2kjs h VAL 72 Cb 0.05 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2kjs h VAL 72 CO -0.02 0.04 0.00 0.44 0.02 0.00 0.00 177.57 178.06 2kjs h ASP 73 N 0.24 0.80 -0.42 0.57 3.32 -1.28 -1.82 116.42 117.84 2kjs h ASP 73 Ca 0.08 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 2kjs h ASP 73 Cb -0.01 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 2kjs h ASP 73 CO -0.04 0.91 0.15 0.50 -1.72 0.00 0.00 179.24 179.04 2kjs h LYS 74 N 0.67 0.64 -0.55 3.56 3.64 0.08 -0.49 116.57 124.13 2kjs h LYS 74 Ca 0.13 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kjs h LYS 74 Cb 0.50 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 2kjs h LYS 74 CO 0.02 0.62 0.34 -0.22 -2.27 0.00 0.00 179.45 177.94 2kjs h LYS 75 N 0.54 0.74 -0.70 1.90 1.63 -0.02 -0.76 116.57 119.89 2kjs h LYS 75 Ca 0.14 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.82 2kjs h LYS 75 Cb 0.23 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 2kjs h LYS 75 CO -0.01 0.52 0.22 -0.07 -3.45 0.00 0.00 179.45 176.67 2kjs h LEU 76 N 0.74 1.02 -0.91 5.20 3.38 -1.14 -1.68 115.31 121.92 2kjs h LEU 76 Ca 0.20 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2kjs h LEU 76 Cb -0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 2kjs h LEU 76 CO -0.04 0.96 0.42 0.00 0.09 0.00 0.00 178.44 179.87 2kjs h ALA 77 N 1.10 1.15 -0.58 1.53 0.00 -0.60 -1.34 119.26 120.52 2kjs h ALA 77 Ca 0.23 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2kjs h ALA 77 Cb 0.30 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kjs h ALA 77 CO -0.01 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 2kjs h ARG 78 N 1.19 1.03 -0.53 0.00 2.47 -0.78 -1.62 114.38 116.15 2kjs h ARG 78 Ca 0.29 -0.33 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 2kjs h ARG 78 Cb 0.09 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 2kjs h ARG 78 CO -0.04 1.02 0.20 -0.22 0.56 0.00 0.00 179.97 181.49 2kjs h LYS 79 N 0.94 0.81 -0.65 0.04 3.64 -0.83 0.10 116.57 120.61 2kjs h LYS 79 Ca 0.16 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2kjs h LYS 79 Cb 0.57 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 2kjs h LYS 79 CO 0.03 0.72 0.24 -0.07 -2.27 0.00 0.00 179.45 178.10 2kjs h LEU 80 N 0.73 0.92 0.00 5.20 3.38 -1.08 -1.91 115.31 122.55 2kjs h LEU 80 Ca 0.18 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kjs h LEU 80 Cb 0.22 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2kjs h LEU 80 CO -0.01 0.86 0.00 -0.62 0.09 0.00 0.00 178.44 178.76 2kjs n GLU 81 N -4.39 0.23 -3.88 1.13 -0.58 -0.62 -4.64 120.64 107.88 2kjs n GLU 81 Ca 0.04 0.01 -0.35 0.00 -0.42 0.00 0.00 57.16 56.44 2kjs n GLU 81 Cb 0.19 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.42 2kjs n GLU 81 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2kjs s HIS 82 N -2.77 3.09 0.00 -0.32 2.46 0.33 -4.83 115.29 113.25 2kjs s HIS 82 Ca 0.21 -1.29 0.00 0.00 0.47 0.00 0.00 55.06 54.45 2kjs s HIS 82 Cb 0.19 -2.13 0.00 0.00 -0.13 0.00 0.00 32.58 30.51 2kjs s HIS 82 CO 0.48 -0.66 0.00 -2.39 -2.47 0.00 0.00 174.74 169.70 2kjs n HIS 83 N 4.75 -2.22 -1.15 3.88 1.44 -1.26 -4.77 115.22 115.88 2kjs n HIS 83 Ca -0.16 0.01 0.02 0.00 -2.01 0.00 0.00 57.72 55.58 2kjs n HIS 83 Cb 0.48 0.53 -0.00 0.00 0.12 0.00 0.00 29.99 31.11 2kjs n HIS 83 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kjs n HIS 84 N -2.51 -1.68 -1.32 -1.40 8.25 -1.26 -4.47 115.22 110.84 2kjs n HIS 84 Ca 0.00 0.17 -0.09 0.00 -0.26 0.00 0.00 57.72 57.54 2kjs n HIS 84 Cb 0.00 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 30.81 2kjs n HIS 84 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kjs n HIS 85 N -0.92 -0.59 -0.78 4.41 8.25 -1.26 -0.40 115.22 123.94 2kjs n HIS 85 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2kjs n HIS 85 Cb 0.06 -2.13 -0.01 0.00 1.12 0.00 0.00 29.99 29.03 2kjs n HIS 85 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kjs n HIS 86 N -1.69 -0.02 1.77 4.41 -0.00 -1.26 -5.34 115.22 113.08 2kjs n HIS 86 Ca -0.10 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.77 2kjs n HIS 86 Cb 0.32 -1.68 0.84 0.00 -0.00 0.00 0.00 29.99 29.48 2kjs n HIS 86 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06