#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 3.63 0.00 2.12 0.04 -1.26 -4.91 135.00 134.62 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 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.64 2kjs s PRO 2 CO 0.00 -1.20 0.00 0.25 0.04 0.00 0.00 177.00 176.09 2kjs n THR 3 N 6.42 0.00 -0.19 1.26 -2.24 -1.26 -4.08 114.28 114.19 2kjs n THR 3 Ca 0.08 0.43 -0.10 0.00 -2.27 0.00 0.00 64.05 62.19 2kjs n THR 3 Cb 0.48 -1.43 0.01 0.00 -2.10 0.00 0.00 70.33 67.30 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 -0.89 3.22 -0.00 -1.94 -2.16 115.31 114.47 2kjs h LEU 4 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 2kjs h LEU 4 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.41 2kjs h LEU 4 CO 0.00 1.01 0.00 0.44 -0.00 0.00 0.00 178.44 179.89 2kjs h ASP 5 N 0.83 0.00 0.43 -0.43 3.32 -1.96 0.00 116.42 118.61 2kjs h ASP 5 Ca 0.15 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.89 2kjs h ASP 5 Cb 0.53 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 2kjs h ASP 5 CO 0.03 0.00 -1.64 0.00 -1.72 0.00 0.00 179.24 175.91 2kjs h ALA 6 N 2.21 0.43 -0.00 3.45 0.00 -1.55 -3.34 119.26 120.45 2kjs h ALA 6 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.67 2kjs h ALA 6 Cb 0.34 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2kjs h ALA 6 CO 0.00 1.29 -0.48 1.28 0.00 0.00 0.00 179.25 181.34 2kjs n LEU 7 N -3.35 0.74 0.13 0.00 4.77 -0.93 -4.13 117.00 114.22 2kjs n LEU 7 Ca -0.19 -0.14 -0.10 0.00 -0.03 0.00 0.00 56.01 55.55 2kjs n LEU 7 Cb 1.04 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.89 2kjs n LEU 7 CO 0.47 0.16 0.33 0.74 -1.33 0.00 0.00 177.39 177.77 2kjs h THR 8 N 0.40 0.43 -1.00 -5.08 2.02 -1.12 -2.58 112.91 105.97 2kjs h THR 8 Ca 0.00 -0.81 0.08 0.00 0.77 0.00 0.00 66.41 66.45 2kjs h THR 8 Cb 0.51 0.70 -0.07 0.00 -1.74 0.00 0.00 68.15 67.55 2kjs h THR 8 CO 0.00 0.10 0.64 1.55 0.37 0.00 0.00 175.52 178.19 2kjs h PRO 9 N -0.99 1.09 -0.40 6.66 0.13 -1.74 -0.46 132.00 136.29 2kjs h PRO 9 Ca -0.04 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.99 2kjs h PRO 9 Cb 0.48 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 31.35 2kjs h PRO 9 CO 0.07 0.72 0.12 0.82 -0.23 0.00 0.00 178.00 179.50 2kjs h ILE 10 N 1.12 1.22 -0.55 -3.56 2.04 -1.72 -1.11 117.51 114.96 2kjs h ILE 10 Ca 0.45 -0.74 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 2kjs h ILE 10 Cb 0.26 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2kjs h ILE 10 CO -0.20 0.26 0.25 -0.26 0.00 0.00 0.00 178.15 178.20 2kjs h PHE 11 N 0.50 0.80 -0.69 1.37 -1.00 -0.95 0.11 116.94 117.09 2kjs h PHE 11 Ca 0.13 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 2kjs h PHE 11 Cb 0.28 -0.25 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 2kjs h PHE 11 CO 0.01 0.63 0.41 0.00 -1.61 0.00 0.00 178.31 177.75 2kjs h ARG 12 N 0.74 0.94 -0.28 1.51 3.08 -0.90 0.39 114.38 119.85 2kjs h ARG 12 Ca 0.19 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 2kjs h ARG 12 Cb 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2kjs h ARG 12 CO -0.02 0.67 -0.47 1.96 -1.07 0.00 0.00 179.97 181.04 2kjs h GLN 13 N 0.93 0.76 0.22 0.04 1.08 -0.90 0.25 115.11 117.49 2kjs h GLN 13 Ca 0.25 -0.44 -0.01 0.00 -1.45 0.00 0.00 58.65 57.00 2kjs h GLN 13 Cb -0.02 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2kjs h GLN 13 CO -0.04 1.06 -0.11 0.28 -0.95 0.00 0.00 178.83 179.07 2kjs h VAL 14 N 0.60 0.00 -0.56 -0.54 2.07 -0.42 -3.35 116.25 114.05 2kjs h VAL 14 Ca 0.03 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 2kjs h VAL 14 Cb 1.04 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2kjs h VAL 14 CO 0.10 0.00 0.25 -0.26 0.02 0.00 0.00 177.57 177.68 2kjs h PHE 15 N -0.66 0.83 -0.29 1.57 0.04 -0.37 -3.45 116.94 114.62 2kjs h PHE 15 Ca -0.03 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 2kjs h PHE 15 Cb 0.23 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 2kjs h PHE 15 CO 0.04 0.66 -0.03 -3.47 -0.60 0.00 0.00 178.31 174.91 2kjs n ASP 16 N -4.53 -2.36 -0.07 2.17 -0.08 0.87 -4.72 116.55 107.83 2kjs n ASP 16 Ca 0.03 0.04 -0.11 0.00 -1.51 0.00 0.00 54.79 53.23 2kjs n ASP 16 Cb 0.14 -1.80 -0.05 0.00 2.34 0.00 0.00 41.12 41.76 2kjs n ASP 16 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2kjs h ASP 17 N 0.00 0.35 0.00 1.67 3.32 -1.87 -3.48 116.42 116.41 2kjs h ASP 17 Ca -0.03 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2kjs h ASP 17 Cb 0.43 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2kjs h ASP 17 CO 0.05 0.56 0.00 -0.67 -1.72 0.00 0.00 179.24 177.45 2kjs n ASP 18 N -4.70 0.00 -2.81 6.45 -0.08 -1.26 -5.08 116.55 109.06 2kjs n ASP 18 Ca -0.04 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.18 2kjs n ASP 18 Cb 0.22 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.68 2kjs n ASP 18 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2kjs s SER 19 N 2.00 -1.23 0.15 1.67 1.04 -1.26 -5.00 113.70 111.06 2kjs s SER 19 Ca 0.00 -1.82 -0.30 0.00 0.48 0.00 0.00 55.95 54.31 2kjs s SER 19 Cb 0.00 1.72 -0.07 0.00 0.10 0.00 0.00 66.02 67.78 2kjs s SER 19 CO 0.00 -0.06 1.05 -0.63 0.98 0.00 0.00 173.24 174.58 2kjs s ILE 20 N 0.83 4.10 -0.13 -1.02 1.09 -1.26 -5.03 121.20 119.78 2kjs s ILE 20 Ca 0.30 1.78 -0.13 0.00 -1.10 0.00 0.00 60.65 61.50 2kjs s ILE 20 Cb 0.00 -4.14 -0.05 0.00 -1.06 0.00 0.00 42.46 37.22 2kjs s ILE 20 CO -0.06 0.29 0.30 -0.69 -0.10 0.00 0.00 174.94 174.68 2kjs s VAL 21 N -0.12 5.28 -0.12 2.92 1.01 -1.26 -4.94 120.40 123.17 2kjs s VAL 21 Ca 0.49 0.57 -0.01 0.00 0.00 0.00 0.00 61.98 63.02 2kjs s VAL 21 Cb -0.27 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 2kjs s VAL 21 CO 0.33 0.44 -0.07 -0.76 0.00 0.00 0.00 175.10 175.04 2kjs s LEU 22 N 0.09 3.10 0.35 3.92 1.43 -1.26 -4.99 118.68 121.32 2kjs s LEU 22 Ca 0.18 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2kjs s LEU 22 Cb -0.13 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 2kjs s LEU 22 CO 0.05 0.23 0.38 0.42 0.23 0.00 0.00 176.35 177.66 2kjs s THR 23 N -0.03 0.00 0.24 5.49 -4.23 -1.26 -5.00 115.64 110.85 2kjs s THR 23 Ca -0.00 -1.83 -0.05 0.00 -1.18 0.00 0.00 61.69 58.63 2kjs s THR 23 Cb -0.13 -2.58 0.15 0.00 1.34 0.00 0.00 72.50 71.27 2kjs s THR 23 CO 0.03 0.00 1.79 0.03 -0.54 0.00 0.00 174.62 175.93 2kjs h ARG 24 N 2.08 1.05 0.00 3.99 3.08 -1.99 -1.96 114.38 120.64 2kjs h ARG 24 Ca -0.26 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2kjs h ARG 24 Cb 1.23 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2kjs h ARG 24 CO 0.36 0.89 0.00 1.49 -1.07 0.00 0.00 179.97 181.64 2kjs h GLU 25 N 1.02 0.00 -6.98 0.04 4.81 -2.02 -3.40 114.58 108.05 2kjs h GLU 25 Ca 0.23 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.92 2kjs h GLU 25 Cb 0.26 0.00 0.11 0.00 0.63 0.00 0.00 28.75 29.76 2kjs h GLU 25 CO -0.01 0.00 0.71 0.99 -0.73 0.00 0.00 179.01 179.96 2kjs s THR 26 N -3.19 2.12 0.16 0.32 2.01 -0.74 -5.01 115.64 111.32 2kjs s THR 26 Ca 0.08 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.08 2kjs s THR 26 Cb 0.10 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.55 2kjs s THR 26 CO 0.58 0.02 0.34 -0.94 -0.69 0.00 0.00 174.62 173.94 2kjs s SER 27 N -0.47 -0.04 0.34 3.53 1.04 -1.26 -4.19 113.70 112.65 2kjs s SER 27 Ca 0.59 -0.72 0.03 0.00 0.48 0.00 0.00 55.95 56.33 2kjs s SER 27 Cb -0.44 0.47 0.64 0.00 0.10 0.00 0.00 66.02 66.79 2kjs s SER 27 CO 0.57 -0.92 1.98 0.00 0.98 0.00 0.00 173.24 175.85 2kjs h ALA 28 N 2.46 1.58 -0.41 5.32 0.00 -1.92 -1.14 119.26 125.14 2kjs h ALA 28 Ca -0.31 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 2kjs h ALA 28 Cb 1.24 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2kjs h ALA 28 CO 0.46 0.35 0.01 -0.91 0.00 0.00 0.00 179.25 179.16 2kjs h ASN 29 N 0.87 0.62 0.40 0.00 2.35 -1.98 -1.39 115.58 116.45 2kjs h ASN 29 Ca 0.28 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2kjs h ASN 29 Cb 0.04 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2kjs h ASN 29 CO -0.08 0.69 0.00 0.47 -1.65 0.00 0.00 177.43 176.86 2kjs n ASP 30 N -4.25 0.05 -4.43 5.81 8.00 -0.44 -4.52 116.55 116.77 2kjs n ASP 30 Ca 0.02 0.52 -0.35 0.00 0.71 0.00 0.00 54.79 55.69 2kjs n ASP 30 Cb 0.27 -0.53 -0.13 0.00 -0.02 0.00 0.00 41.12 40.72 2kjs n ASP 30 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2kjs s ILE 31 N -3.03 3.91 0.17 0.53 -1.09 -0.52 -4.96 121.20 116.20 2kjs s ILE 31 Ca 0.05 -0.33 -0.12 0.00 -2.23 0.00 0.00 60.65 58.03 2kjs s ILE 31 Cb 0.07 -2.77 0.07 0.00 -1.58 0.00 0.00 42.46 38.25 2kjs s ILE 31 CO 0.21 0.42 1.71 0.44 -1.23 0.00 0.00 174.94 176.50 2kjs h ASP 32 N 7.61 0.85 -2.73 3.58 3.32 -1.81 -3.36 116.42 123.88 2kjs h ASP 32 Ca -0.37 -0.19 -0.69 0.00 0.02 0.00 0.00 57.03 55.81 2kjs h ASP 32 Cb 1.18 -0.22 -0.18 0.00 0.22 0.00 0.00 39.33 40.32 2kjs h ASP 32 CO 0.61 0.82 0.49 0.00 -1.72 0.00 0.00 179.24 179.43 2kjs s ALA 33 N -5.47 3.37 -0.45 3.45 0.00 -1.26 -4.87 121.76 116.54 2kjs s ALA 33 Ca -0.13 -2.41 0.07 0.00 0.00 0.00 0.00 51.96 49.49 2kjs s ALA 33 Cb 0.13 -3.81 0.23 0.00 0.00 0.00 0.00 23.12 19.67 2kjs s ALA 33 CO 0.80 -2.69 0.67 1.87 0.00 0.00 0.00 175.76 176.42 2kjs n TRP 34 N 6.59 -2.11 -2.15 0.00 -0.00 -1.26 -5.09 117.44 113.42 2kjs n TRP 34 Ca 0.06 -2.50 -0.29 0.00 -0.00 0.00 0.00 57.50 54.77 2kjs n TRP 34 Cb 0.46 0.74 0.03 0.00 -0.00 0.00 0.00 31.31 32.54 2kjs n TRP 34 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2kjs s ASP 35 N -0.95 5.77 0.22 5.87 1.01 -1.26 -4.93 116.67 122.39 2kjs s ASP 35 Ca 0.33 1.03 -0.09 0.00 0.71 0.00 0.00 52.55 54.52 2kjs s ASP 35 Cb 0.15 -2.01 0.17 0.00 1.01 0.00 0.00 42.92 42.25 2kjs s ASP 35 CO -0.17 -1.05 1.88 0.28 0.21 0.00 0.00 175.17 176.32 2kjs h SER 36 N -0.31 0.93 -0.78 0.27 0.02 -2.00 -1.93 113.55 109.75 2kjs h SER 36 Ca -0.45 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.42 2kjs h SER 36 Cb 1.23 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 2kjs h SER 36 CO 0.62 0.69 0.33 -0.07 -1.14 0.00 0.00 176.83 177.26 2kjs h LEU 37 N 1.09 1.05 -0.66 5.07 3.38 -2.00 -2.32 115.31 120.92 2kjs h LEU 37 Ca 0.29 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2kjs h LEU 37 Cb -0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.34 2kjs h LEU 37 CO -0.06 0.92 0.43 -1.28 0.09 0.00 0.00 178.44 178.54 2kjs h SER 38 N 1.12 0.77 -0.66 -0.43 0.87 -1.79 -0.69 113.55 112.73 2kjs h SER 38 Ca 0.26 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2kjs h SER 38 Cb 0.18 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 2kjs h SER 38 CO -0.03 0.57 0.42 -0.74 -0.53 0.00 0.00 176.83 176.53 2kjs h HIS 39 N 0.90 0.86 -0.65 2.24 -0.00 -1.01 -1.70 115.15 115.79 2kjs h HIS 39 Ca 0.24 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.55 2kjs h HIS 39 Cb -0.08 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 27.02 2kjs h HIS 39 CO -0.02 0.57 0.12 1.98 -0.00 0.00 0.00 177.93 180.57 2kjs h MET 40 N 0.90 1.05 -0.80 5.26 -1.53 -0.97 -2.65 114.93 116.19 2kjs h MET 40 Ca 0.24 -0.26 -0.02 0.00 -3.44 0.00 0.00 59.70 56.22 2kjs h MET 40 Cb -0.06 -0.13 -0.04 0.00 -0.55 0.00 0.00 31.60 30.82 2kjs h MET 40 CO -0.05 0.96 0.43 -0.97 0.14 0.00 0.00 176.91 177.41 2kjs h ASN 41 N 0.99 1.01 -0.65 1.39 -0.73 -0.62 -1.67 115.58 115.30 2kjs h ASN 41 Ca 0.20 -0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.24 2kjs h ASN 41 Cb 0.41 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.71 2kjs h ASN 41 CO 0.01 0.83 0.33 -0.07 -0.37 0.00 0.00 177.43 178.16 2kjs h LEU 42 N 1.12 0.84 -0.51 0.34 3.38 -1.06 -1.07 115.31 118.36 2kjs h LEU 42 Ca 0.28 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2kjs h LEU 42 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2kjs h LEU 42 CO -0.04 0.73 0.19 0.40 0.09 0.00 0.00 178.44 179.80 2kjs h ILE 43 N 0.90 1.22 -0.54 1.22 2.04 -1.13 -2.18 117.51 119.04 2kjs h ILE 43 Ca 0.23 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2kjs h ILE 43 Cb 0.10 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2kjs h ILE 43 CO -0.03 0.26 0.28 0.58 0.00 0.00 0.00 178.15 179.24 2kjs h VAL 44 N 0.68 1.19 -0.60 1.67 2.07 -1.03 -1.40 116.25 118.84 2kjs h VAL 44 Ca 0.17 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.21 2kjs h VAL 44 Cb 0.23 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2kjs h VAL 44 CO -0.01 0.21 0.37 -1.28 0.02 0.00 0.00 177.57 176.88 2kjs h SER 45 N 0.72 0.62 -0.65 0.57 0.87 -1.00 -0.26 113.55 114.41 2kjs h SER 45 Ca 0.19 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 2kjs h SER 45 Cb 0.07 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 2kjs h SER 45 CO -0.03 0.44 0.25 -0.07 -0.53 0.00 0.00 176.83 176.89 2kjs h LEU 46 N 0.74 0.91 0.28 2.23 3.38 -1.11 0.48 115.31 122.22 2kjs h LEU 46 Ca 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2kjs h LEU 46 Cb -0.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2kjs h LEU 46 CO -0.09 0.84 -0.13 -0.33 0.09 0.00 0.00 178.44 178.82 2kjs h GLU 47 N 0.93 -0.36 -0.41 1.13 5.08 -0.72 -1.49 114.58 118.74 2kjs h GLU 47 Ca 0.22 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 2kjs h GLU 47 Cb 0.22 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2kjs h GLU 47 CO -0.02 -0.15 -0.01 0.28 -1.00 0.00 0.00 179.01 178.11 2kjs h VAL 48 N -0.51 1.26 0.20 3.13 2.07 -1.00 2.07 116.25 123.48 2kjs h VAL 48 Ca -0.04 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.46 2kjs h VAL 48 Cb 0.38 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 2kjs h VAL 48 CO 0.06 0.35 -0.38 -0.74 0.02 0.00 0.00 177.57 176.88 2kjs h HIS 49 N 0.56 -1.06 -0.02 1.57 -0.00 0.01 -2.25 115.15 113.96 2kjs h HIS 49 Ca 0.12 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 2kjs h HIS 49 Cb 0.50 0.44 0.00 0.00 -0.00 0.00 0.00 27.41 28.35 2kjs h HIS 49 CO 0.04 -0.50 0.00 0.66 -0.00 0.00 0.00 177.93 178.13 2kjs n TYR 50 N -5.46 0.00 -3.47 5.26 4.01 -0.56 -4.96 117.16 111.98 2kjs n TYR 50 Ca -0.08 -0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.46 2kjs n TYR 50 Cb 0.37 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.46 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 0.42 -3.73 -4.44 -0.72 5.02 0.62 -5.01 118.16 110.32 2kjs n LYS 51 Ca 0.18 0.73 -0.21 0.00 -2.02 0.00 0.00 58.31 56.99 2kjs n LYS 51 Cb 0.41 -5.39 -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 0.42 -0.52 0.00 0.00 177.40 177.30 2kjs s ILE 52 N -3.47 1.34 -0.08 -0.18 1.01 0.32 -4.97 121.20 115.18 2kjs s ILE 52 Ca 0.24 -2.04 0.01 0.00 0.00 0.00 0.00 60.65 58.86 2kjs s ILE 52 Cb -0.05 -2.65 0.02 0.00 0.01 0.00 0.00 42.46 39.79 2kjs s ILE 52 CO 0.78 -0.13 -0.08 -0.75 0.00 0.00 0.00 174.94 174.75 2kjs s LYS 53 N -3.83 1.41 0.06 2.79 2.20 -1.26 -4.45 119.74 116.66 2kjs s LYS 53 Ca 0.33 -0.27 0.02 0.00 -0.36 0.00 0.00 55.97 55.70 2kjs s LYS 53 Cb 0.07 -1.33 -0.04 0.00 -1.51 0.00 0.00 37.83 35.02 2kjs s LYS 53 CO 0.14 -0.11 0.06 -0.06 -0.36 0.00 0.00 175.35 175.02 2kjs s PHE 54 N 1.13 3.18 0.07 4.03 0.08 -1.26 -5.11 117.98 120.11 2kjs s PHE 54 Ca -0.06 0.09 -0.15 0.00 0.12 0.00 0.00 56.93 56.93 2kjs s PHE 54 Cb -0.14 -1.64 -0.06 0.00 -0.57 0.00 0.00 43.02 40.60 2kjs s PHE 54 CO -0.01 0.52 0.49 0.00 -0.10 0.00 0.00 175.22 176.12 2kjs s ALA 55 N -1.31 3.64 0.26 5.36 0.00 -1.26 -4.98 121.76 123.47 2kjs s ALA 55 Ca 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 2kjs s ALA 55 Cb -0.12 -2.48 0.37 0.00 0.00 0.00 0.00 23.12 20.89 2kjs s ALA 55 CO 0.19 0.46 1.89 1.25 0.00 0.00 0.00 175.76 179.55 2kjs h LEU 56 N 4.21 1.07 0.00 0.00 5.85 -2.01 0.15 115.31 124.58 2kjs h LEU 56 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2kjs h LEU 56 Cb 1.21 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2kjs h LEU 56 CO 0.64 0.70 0.00 0.61 -0.34 0.00 0.00 178.44 180.05 2kjs n GLY 57 N -1.37 -0.37 0.13 3.75 0.00 -1.26 -1.74 105.19 104.33 2kjs n GLY 57 Ca 0.15 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 2kjs n GLY 57 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kjs n GLU 58 N -1.25 0.65 -0.27 1.61 4.07 0.51 -4.33 120.64 121.62 2kjs n GLU 58 Ca 0.02 0.15 -0.06 0.00 -0.06 0.00 0.00 57.16 57.21 2kjs n GLU 58 Cb 0.03 -1.52 0.06 0.00 -0.06 0.00 0.00 31.44 29.94 2kjs n GLU 58 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2kjs h LEU 59 N 0.00 0.98 -0.00 4.31 -0.00 -1.12 -0.83 115.31 118.65 2kjs h LEU 59 Ca -0.58 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.17 2kjs h LEU 59 Cb 1.91 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 42.32 2kjs h LEU 59 CO -0.08 0.84 0.00 0.00 -0.00 0.00 0.00 178.44 179.20 2kjs n GLN 60 N -4.39 0.00 0.00 1.13 10.64 -1.06 -0.47 117.38 123.23 2kjs n GLN 60 Ca 0.06 0.40 0.12 0.00 -1.83 0.00 0.00 57.00 55.76 2kjs n GLN 60 Cb 0.13 -1.50 0.19 0.00 -0.86 0.00 0.00 30.24 28.20 2kjs n GLN 60 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2kjs n LYS 61 N -1.50 0.44 -3.55 2.61 4.76 -0.32 -4.85 118.16 115.74 2kjs n LYS 61 Ca 0.01 -0.30 -0.36 0.00 -2.87 0.00 0.00 58.31 54.79 2kjs n LYS 61 Cb 0.07 -1.49 -0.08 0.00 -1.84 0.00 0.00 35.03 31.69 2kjs n LYS 61 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kjs s LEU 62 N -2.77 4.20 0.00 -0.35 1.43 0.38 -4.92 118.68 116.66 2kjs s LEU 62 Ca 0.16 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 2kjs s LEU 62 Cb 0.18 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2kjs s LEU 62 CO 0.66 0.07 0.39 0.29 0.23 0.00 0.00 176.35 177.98 2kjs n LYS 63 N 3.84 0.18 -3.60 1.70 5.02 -1.26 -5.02 118.16 119.01 2kjs n LYS 63 Ca -0.12 -0.46 -0.11 0.00 -2.02 0.00 0.00 58.31 55.60 2kjs n LYS 63 Cb 0.52 -0.71 -0.04 0.00 -0.02 0.00 0.00 35.03 34.78 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 -0.15 -0.30 0.15 4.39 0.01 -1.26 -4.96 114.94 112.83 2kjs s ASN 64 Ca 0.00 -0.28 -0.12 0.00 -0.71 0.00 0.00 52.86 51.75 2kjs s ASN 64 Cb 0.00 0.51 0.02 0.00 0.41 0.00 0.00 41.25 42.18 2kjs s ASN 64 CO 0.00 -0.89 1.60 0.58 -1.51 0.00 0.00 177.10 176.88 2kjs h VAL 65 N 2.28 1.26 -0.47 1.60 2.07 -1.87 -2.47 116.25 118.65 2kjs h VAL 65 Ca -0.34 -1.08 0.09 0.00 0.82 0.00 0.00 66.70 66.20 2kjs h VAL 65 Cb 1.27 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 31.93 2kjs h VAL 65 CO 0.44 0.38 -0.05 1.23 0.02 0.00 0.00 177.57 179.59 2kjs h GLY 66 N 0.74 0.43 1.51 2.17 0.00 -1.85 0.19 103.07 106.25 2kjs h GLY 66 Ca 0.14 0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 2kjs h GLY 66 CO 0.03 -0.15 -0.09 1.29 0.00 0.00 0.00 176.54 177.61 2kjs h ASP 67 N 0.06 0.58 -0.53 0.19 3.04 -1.94 -2.31 116.42 115.51 2kjs h ASP 67 Ca 0.24 -0.15 -0.03 0.00 -3.24 0.00 0.00 57.03 53.85 2kjs h ASP 67 Cb 0.36 -0.15 -0.02 0.00 -1.04 0.00 0.00 39.33 38.47 2kjs h ASP 67 CO -0.44 0.71 0.20 0.25 -2.04 0.00 0.00 179.24 177.92 2kjs h LEU 68 N 0.55 0.74 -0.95 0.15 6.46 -0.51 -1.82 115.31 119.93 2kjs h LEU 68 Ca 0.10 -0.18 -0.04 0.00 -0.12 0.00 0.00 57.88 57.65 2kjs h LEU 68 Cb 0.49 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 2kjs h LEU 68 CO 0.03 0.71 0.27 0.00 -0.62 0.00 0.00 178.44 178.83 2kjs h ALA 69 N 1.05 1.17 -0.56 1.25 0.00 -0.43 -2.13 119.26 119.61 2kjs h ALA 69 Ca 0.18 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2kjs h ALA 69 Cb 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2kjs h ALA 69 CO -0.01 0.60 0.18 -0.44 0.00 0.00 0.00 179.25 179.58 2kjs h ASP 70 N 1.01 0.77 -0.77 0.00 3.32 -1.04 -2.31 116.42 117.40 2kjs h ASP 70 Ca 0.23 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 2kjs h ASP 70 Cb 0.20 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 2kjs h ASP 70 CO -0.02 0.72 0.42 0.25 -1.72 0.00 0.00 179.24 178.89 2kjs h LEU 71 N 0.82 0.96 -0.31 1.55 5.85 -0.68 0.22 115.31 123.72 2kjs h LEU 71 Ca 0.19 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2kjs h LEU 71 Cb 0.23 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2kjs h LEU 71 CO -0.01 0.78 0.19 0.58 -0.34 0.00 0.00 178.44 179.65 2kjs h VAL 72 N 1.07 1.10 -0.25 1.05 2.07 -1.09 0.57 116.25 120.77 2kjs h VAL 72 Ca 0.27 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 2kjs h VAL 72 Cb 0.04 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2kjs h VAL 72 CO -0.04 0.10 -0.04 -0.78 0.02 0.00 0.00 177.57 176.83 2kjs h ASP 73 N 0.41 0.46 -0.55 0.57 3.58 -1.15 -1.56 116.42 118.17 2kjs h ASP 73 Ca 0.11 -0.35 -0.04 0.00 0.42 0.00 0.00 57.03 57.18 2kjs h ASP 73 Cb -0.01 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 2kjs h ASP 73 CO -0.02 0.70 0.20 0.11 -2.88 0.00 0.00 179.24 177.34 2kjs h LYS 74 N 0.21 0.85 -0.45 0.28 1.57 -0.38 0.93 116.57 119.58 2kjs h LYS 74 Ca 0.06 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2kjs h LYS 74 Cb 0.49 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2kjs h LYS 74 CO 0.02 0.75 0.22 -0.22 -0.57 0.00 0.00 179.45 179.65 2kjs h LYS 75 N 0.77 0.64 -0.16 3.15 1.63 0.19 -2.49 116.57 120.30 2kjs h LYS 75 Ca 0.18 -0.09 -0.11 0.00 -0.85 0.00 0.00 60.65 59.78 2kjs h LYS 75 Cb 0.24 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 2kjs h LYS 75 CO -0.01 0.54 -0.37 -0.07 -3.45 0.00 0.00 179.45 176.10 2kjs h LEU 76 N 0.58 0.36 -0.42 5.20 3.38 -1.10 -2.58 115.31 120.73 2kjs h LEU 76 Ca 0.15 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2kjs h LEU 76 Cb 0.11 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2kjs h LEU 76 CO -0.02 0.70 0.23 0.00 0.09 0.00 0.00 178.44 179.44 2kjs h ALA 77 N 1.32 0.52 0.00 1.53 0.00 -0.38 -1.91 119.26 120.34 2kjs h ALA 77 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2kjs h ALA 77 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kjs h ALA 77 CO 0.06 -0.11 -0.45 0.07 0.00 0.00 0.00 179.25 178.82 2kjs h ARG 78 N 0.46 0.00 -0.30 0.00 0.11 -1.40 0.52 114.38 113.77 2kjs h ARG 78 Ca 0.17 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.22 2kjs h ARG 78 Cb 0.04 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.11 2kjs h ARG 78 CO -0.10 0.45 0.06 0.87 0.10 0.00 0.00 179.97 181.35 2kjs h LYS 79 N 0.00 0.49 0.02 0.08 1.79 -0.96 -0.86 116.57 117.12 2kjs h LYS 79 Ca -0.00 -0.12 -0.27 0.00 -2.18 0.00 0.00 60.65 58.07 2kjs h LYS 79 Cb 0.97 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.52 2kjs h LYS 79 CO 0.06 0.58 -1.50 1.37 -1.08 0.00 0.00 179.45 178.88 2kjs h LEU 80 N 0.32 0.06 0.00 2.94 8.10 -1.38 -3.41 115.31 121.94 2kjs h LEU 80 Ca 0.09 -0.10 0.00 0.00 0.11 0.00 0.00 57.88 57.98 2kjs h LEU 80 Cb 0.32 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.52 2kjs h LEU 80 CO 0.00 1.09 0.00 1.21 -4.11 0.00 0.00 178.44 176.63 2kjs n GLU 81 N -3.20 0.00 -2.87 0.17 2.13 0.17 -4.73 120.64 112.31 2kjs n GLU 81 Ca -0.13 0.26 -0.42 0.00 0.66 0.00 0.00 57.16 57.54 2kjs n GLU 81 Cb 1.02 -0.93 -0.04 0.00 0.27 0.00 0.00 31.44 31.76 2kjs n GLU 81 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2kjs s HIS 82 N -1.02 3.28 0.00 4.31 3.76 -0.33 -4.79 115.29 120.50 2kjs s HIS 82 Ca 0.00 1.11 0.00 0.00 -0.15 0.00 0.00 55.06 56.02 2kjs s HIS 82 Cb 0.00 -3.13 0.00 0.00 1.11 0.00 0.00 32.58 30.56 2kjs s HIS 82 CO 0.00 -0.46 0.30 -2.39 -0.85 0.00 0.00 174.74 171.34 2kjs n HIS 83 N 6.12 0.00 0.08 1.40 1.44 -1.26 -4.44 115.22 118.55 2kjs n HIS 83 Ca 0.06 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.72 2kjs n HIS 83 Cb 0.47 0.10 0.12 0.00 0.12 0.00 0.00 29.99 30.80 2kjs n HIS 83 CO 0.00 0.00 0.00 1.12 -2.81 0.00 0.00 176.34 174.65 2kjs h HIS 84 N 0.00 0.35 -3.88 -1.40 2.07 -1.87 -3.44 115.15 106.99 2kjs h HIS 84 Ca 0.00 -0.13 -0.50 0.00 -2.85 0.00 0.00 60.37 56.89 2kjs h HIS 84 Cb 1.03 -0.06 0.02 0.00 2.57 0.00 0.00 27.41 30.97 2kjs h HIS 84 CO -0.03 0.80 0.47 -1.01 -3.07 0.00 0.00 177.93 175.08 2kjs s HIS 85 N -3.80 3.39 -0.19 6.12 3.76 -1.26 -4.35 115.29 118.96 2kjs s HIS 85 Ca -0.04 1.65 -0.00 0.00 -0.15 0.00 0.00 55.06 56.52 2kjs s HIS 85 Cb 0.12 -3.27 0.00 0.00 1.11 0.00 0.00 32.58 30.54 2kjs s HIS 85 CO 0.80 -0.73 0.00 0.72 -0.85 0.00 0.00 174.74 174.68 2kjs n HIS 86 N 0.63 -2.52 -0.19 1.40 8.25 -1.26 -5.20 115.22 116.33 2kjs n HIS 86 Ca 0.02 1.12 0.00 0.00 -0.26 0.00 0.00 57.72 58.60 2kjs n HIS 86 Cb 0.46 -2.89 0.00 0.00 1.12 0.00 0.00 29.99 28.68 2kjs n HIS 86 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70