#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 3.91 0.00 3.17 0.04 -1.26 -4.92 135.00 135.95 2kjs s PRO 2 Ca 0.00 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2kjs s PRO 2 Cb 0.00 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.73 2kjs s PRO 2 CO 0.00 -1.12 0.00 0.25 0.04 0.00 0.00 177.00 176.17 2kjs n THR 3 N 6.30 0.00 -0.19 1.26 -2.24 -1.26 -4.00 114.28 114.16 2kjs n THR 3 Ca 0.12 0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 62.30 2kjs n THR 3 Cb 0.48 -1.49 0.01 0.00 -2.10 0.00 0.00 70.33 67.23 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 0.86 -0.80 3.22 -0.00 -1.98 -2.05 115.31 114.55 2kjs h LEU 4 Ca 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 2kjs h LEU 4 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.43 2kjs h LEU 4 CO 0.00 0.91 0.00 0.44 -0.00 0.00 0.00 178.44 179.79 2kjs h ASP 5 N 0.77 0.00 0.72 -0.43 3.32 -1.97 -2.06 116.42 116.78 2kjs h ASP 5 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2kjs h ASP 5 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2kjs h ASP 5 CO 0.01 0.00 -1.02 0.00 -1.72 0.00 0.00 179.24 176.51 2kjs n ALA 6 N -1.80 2.87 0.93 3.45 0.00 -0.82 -3.95 120.51 121.19 2kjs n ALA 6 Ca 0.02 -0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.25 2kjs n ALA 6 Cb 0.22 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.33 1.56 0.02 0.00 4.77 -0.83 -4.41 117.00 115.79 2kjs n LEU 7 Ca 0.01 -0.66 -0.18 0.00 -0.03 0.00 0.00 56.01 55.14 2kjs n LEU 7 Cb 0.50 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.47 2kjs n LEU 7 CO 0.40 0.31 0.18 0.74 -1.33 0.00 0.00 177.39 177.70 2kjs h THR 8 N 1.44 1.42 -0.06 -5.08 2.02 -1.52 -2.85 112.91 108.28 2kjs h THR 8 Ca 0.00 -2.20 0.01 0.00 0.77 0.00 0.00 66.41 65.00 2kjs h THR 8 Cb 0.62 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.71 2kjs h THR 8 CO 0.00 0.64 -0.02 -0.65 0.37 0.00 0.00 175.52 175.86 2kjs h PRO 9 N -0.09 -0.00 -0.32 6.66 0.11 -1.77 -0.08 132.00 136.50 2kjs h PRO 9 Ca -0.10 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.96 2kjs h PRO 9 Cb 1.44 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.54 2kjs h PRO 9 CO 0.14 -0.00 0.01 0.82 -0.21 0.00 0.00 178.00 178.76 2kjs h ILE 10 N -0.00 1.25 -0.43 4.15 2.04 -1.79 -1.82 117.51 120.91 2kjs h ILE 10 Ca 0.03 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 2kjs h ILE 10 Cb 0.05 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2kjs h ILE 10 CO -0.07 0.30 0.26 -0.26 0.00 0.00 0.00 178.15 178.39 2kjs h PHE 11 N 0.36 0.56 -0.57 1.37 -1.00 -1.37 0.43 116.94 116.73 2kjs h PHE 11 Ca 0.09 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.86 2kjs h PHE 11 Cb 0.42 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.77 2kjs h PHE 11 CO 0.03 0.39 0.29 0.00 -1.61 0.00 0.00 178.31 177.42 2kjs h ARG 12 N 0.57 0.80 -0.22 1.51 3.08 -0.95 0.21 114.38 119.37 2kjs h ARG 12 Ca 0.15 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 2kjs h ARG 12 Cb -0.01 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 2kjs h ARG 12 CO -0.03 0.64 -0.25 1.96 -1.07 0.00 0.00 179.97 181.22 2kjs h GLN 13 N 0.76 0.56 -0.39 0.04 7.50 -1.03 1.62 115.11 124.19 2kjs h GLN 13 Ca 0.20 -0.31 -0.03 0.00 0.50 0.00 0.00 58.65 59.00 2kjs h GLN 13 Cb 0.09 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.62 2kjs h GLN 13 CO -0.03 0.90 0.11 0.28 -1.50 0.00 0.00 178.83 178.59 2kjs h VAL 14 N 0.25 1.22 -0.02 -0.54 2.07 0.01 -2.88 116.25 116.37 2kjs h VAL 14 Ca 0.03 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2kjs h VAL 14 Cb 0.82 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2kjs h VAL 14 CO 0.06 0.26 -0.18 0.49 0.02 0.00 0.00 177.57 178.22 2kjs n PHE 15 N -4.59 0.00 -2.05 1.57 3.72 0.71 -4.93 117.46 111.89 2kjs n PHE 15 Ca -0.01 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.25 2kjs n PHE 15 Cb 0.19 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.67 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 0.15 -4.15 -4.76 4.37 2.03 0.54 -4.90 116.55 109.83 2kjs n ASP 16 Ca 0.14 0.22 -0.40 0.00 0.52 0.00 0.00 54.79 55.27 2kjs n ASP 16 Cb 0.43 -3.62 -0.04 0.00 -0.72 0.00 0.00 41.12 37.17 2kjs n ASP 16 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kjs s ASP 17 N -2.10 7.27 0.16 1.67 1.01 -0.38 -4.95 116.67 119.35 2kjs s ASP 17 Ca 0.00 2.23 -0.12 0.00 0.71 0.00 0.00 52.55 55.37 2kjs s ASP 17 Cb 0.00 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.37 2kjs s ASP 17 CO 0.00 -0.14 1.70 0.44 0.21 0.00 0.00 175.17 177.38 2kjs h ASP 18 N 3.76 0.81 -0.84 0.27 3.32 -1.90 -3.42 116.42 118.42 2kjs h ASP 18 Ca -0.47 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.33 2kjs h ASP 18 Cb 1.21 -0.21 -0.18 0.00 0.22 0.00 0.00 39.33 40.37 2kjs h ASP 18 CO 0.67 0.79 -0.40 -0.94 -1.72 0.00 0.00 179.24 177.64 2kjs s SER 19 N -6.13 -1.26 0.01 6.45 1.04 -1.26 -5.11 113.70 107.45 2kjs s SER 19 Ca -0.13 -0.98 -0.19 0.00 0.48 0.00 0.00 55.95 55.14 2kjs s SER 19 Cb 0.12 1.63 -0.06 0.00 0.10 0.00 0.00 66.02 67.81 2kjs s SER 19 CO 0.80 -0.10 0.54 -0.51 0.98 0.00 0.00 173.24 174.95 2kjs s ILE 20 N 1.48 4.89 -0.16 -1.02 2.07 -1.26 -5.07 121.20 122.13 2kjs s ILE 20 Ca 0.21 1.14 -0.07 0.00 -1.41 0.00 0.00 60.65 60.52 2kjs s ILE 20 Cb -0.00 -3.87 -0.04 0.00 0.13 0.00 0.00 42.46 38.67 2kjs s ILE 20 CO -0.08 0.49 0.06 0.68 -1.91 0.00 0.00 174.94 174.18 2kjs s VAL 21 N -0.59 4.82 0.09 4.00 -7.23 -1.26 -4.99 120.40 115.24 2kjs s VAL 21 Ca 0.29 -0.03 0.09 0.00 -1.81 0.00 0.00 61.98 60.52 2kjs s VAL 21 Cb -0.18 -3.14 -0.04 0.00 0.56 0.00 0.00 36.38 33.58 2kjs s VAL 21 CO 0.17 0.51 -0.22 -0.76 -0.31 0.00 0.00 175.10 174.48 2kjs s LEU 22 N -0.03 2.50 0.16 1.32 1.43 -1.26 -5.12 118.68 117.69 2kjs s LEU 22 Ca 0.06 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 2kjs s LEU 22 Cb -0.12 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2kjs s LEU 22 CO 0.01 0.21 0.04 0.42 0.23 0.00 0.00 176.35 177.25 2kjs s THR 23 N -1.03 0.38 0.27 5.49 -4.23 -1.26 -5.02 115.64 110.24 2kjs s THR 23 Ca 0.15 -1.95 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 2kjs s THR 23 Cb -0.10 -2.14 0.17 0.00 1.34 0.00 0.00 72.50 71.77 2kjs s THR 23 CO 0.07 -0.42 1.83 0.03 -0.54 0.00 0.00 174.62 175.59 2kjs h ARG 24 N 2.75 0.94 0.00 3.99 3.08 -2.01 -1.07 114.38 122.06 2kjs h ARG 24 Ca -0.36 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2kjs h ARG 24 Cb 1.21 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2kjs h ARG 24 CO 0.61 0.79 0.00 0.39 -1.07 0.00 0.00 179.97 180.69 2kjs n GLU 25 N -4.29 0.62 -1.77 0.04 4.71 -1.26 -4.05 120.64 114.65 2kjs n GLU 25 Ca 0.05 0.01 -0.42 0.00 -0.01 0.00 0.00 57.16 56.80 2kjs n GLU 25 Cb 0.19 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.10 2kjs n GLU 25 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2kjs s THR 26 N -2.35 2.06 0.10 2.62 2.01 -0.41 -5.00 115.64 114.67 2kjs s THR 26 Ca 0.35 0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.42 2kjs s THR 26 Cb 0.20 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 2kjs s THR 26 CO 0.40 0.01 -0.08 -0.44 -0.69 0.00 0.00 174.62 173.82 2kjs s SER 27 N 0.60 1.31 0.40 3.53 0.01 -1.26 -3.69 113.70 114.60 2kjs s SER 27 Ca 0.65 -0.91 0.08 0.00 1.31 0.00 0.00 55.95 57.08 2kjs s SER 27 Cb -0.48 0.05 0.85 0.00 0.21 0.00 0.00 66.02 66.64 2kjs s SER 27 CO 0.46 -0.36 2.00 0.00 0.41 0.00 0.00 173.24 175.75 2kjs h ALA 28 N 3.26 1.78 -0.57 1.44 0.00 -1.92 -0.76 119.26 122.49 2kjs h ALA 28 Ca -0.36 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2kjs h ALA 28 Cb 1.18 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2kjs h ALA 28 CO 0.59 0.14 0.15 -0.97 0.00 0.00 0.00 179.25 179.15 2kjs h ASN 29 N 0.61 0.82 0.42 0.00 -0.73 -1.98 -1.15 115.58 113.56 2kjs h ASN 29 Ca 0.25 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.27 2kjs h ASN 29 Cb 0.21 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.58 2kjs h ASN 29 CO -0.07 0.80 0.00 0.47 -0.37 0.00 0.00 177.43 178.26 2kjs n ASP 30 N -4.27 0.13 -4.41 1.15 8.00 -0.30 -4.50 116.55 112.35 2kjs n ASP 30 Ca 0.04 0.54 -0.36 0.00 0.71 0.00 0.00 54.79 55.72 2kjs n ASP 30 Cb 0.23 -0.56 -0.13 0.00 -0.02 0.00 0.00 41.12 40.64 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 -3.07 3.96 0.15 0.53 -1.09 -0.44 -4.98 121.20 116.26 2kjs s ILE 31 Ca 0.05 -0.30 -0.15 0.00 -2.23 0.00 0.00 60.65 58.02 2kjs s ILE 31 Cb 0.08 -2.82 0.03 0.00 -1.58 0.00 0.00 42.46 38.16 2kjs s ILE 31 CO 0.23 0.39 1.72 0.44 -1.23 0.00 0.00 174.94 176.49 2kjs h ASP 32 N 7.98 0.63 -2.85 3.58 3.32 -1.80 -3.37 116.42 123.91 2kjs h ASP 32 Ca -0.39 -0.14 -0.64 0.00 0.02 0.00 0.00 57.03 55.88 2kjs h ASP 32 Cb 1.17 -0.16 -0.15 0.00 0.22 0.00 0.00 39.33 40.41 2kjs h ASP 32 CO 0.59 0.59 0.42 0.00 -1.72 0.00 0.00 179.24 179.13 2kjs s ALA 33 N -5.65 3.20 -0.46 3.45 0.00 -1.26 -4.89 121.76 116.16 2kjs s ALA 33 Ca -0.13 -1.81 0.06 0.00 0.00 0.00 0.00 51.96 50.09 2kjs s ALA 33 Cb 0.11 -3.73 0.22 0.00 0.00 0.00 0.00 23.12 19.73 2kjs s ALA 33 CO 0.76 -2.56 0.68 1.87 0.00 0.00 0.00 175.76 176.52 2kjs n TRP 34 N 7.26 -2.28 -2.10 0.00 -0.00 -1.26 -5.14 117.44 113.92 2kjs n TRP 34 Ca -0.04 -2.40 -0.31 0.00 -0.00 0.00 0.00 57.50 54.75 2kjs n TRP 34 Cb 0.45 0.84 -0.00 0.00 -0.00 0.00 0.00 31.31 32.60 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 -0.86 6.32 0.31 5.87 1.01 -1.26 -4.97 116.67 123.09 2kjs s ASP 35 Ca 0.33 1.38 0.05 0.00 0.71 0.00 0.00 52.55 55.01 2kjs s ASP 35 Cb 0.15 -2.45 0.52 0.00 1.01 0.00 0.00 42.92 42.15 2kjs s ASP 35 CO -0.17 -0.76 1.79 -1.28 0.21 0.00 0.00 175.17 174.96 2kjs h SER 36 N 0.05 0.41 -0.22 0.27 0.87 -2.03 -2.66 113.55 110.25 2kjs h SER 36 Ca -0.45 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 59.94 2kjs h SER 36 Cb 1.19 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 2kjs h SER 36 CO 0.62 0.62 -0.00 -0.07 -0.53 0.00 0.00 176.83 177.47 2kjs h LEU 37 N 0.39 0.47 -1.76 2.23 3.38 -2.03 -2.49 115.31 115.50 2kjs h LEU 37 Ca 0.07 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.04 2kjs h LEU 37 Cb 0.56 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2kjs h LEU 37 CO 0.04 0.54 0.34 0.77 0.09 0.00 0.00 178.44 180.22 2kjs h SER 38 N 0.48 0.25 -0.94 -0.43 4.64 -1.86 -1.20 113.55 114.49 2kjs h SER 38 Ca 0.10 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.47 2kjs h SER 38 Cb 0.32 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.31 2kjs h SER 38 CO 0.01 0.15 0.61 0.45 -0.87 0.00 0.00 176.83 177.18 2kjs h HIS 39 N 0.27 1.14 -0.84 4.77 3.86 -1.54 -1.82 115.15 121.00 2kjs h HIS 39 Ca 0.23 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.50 2kjs h HIS 39 Cb 0.55 -0.38 -0.05 0.00 1.06 0.00 0.00 27.41 28.60 2kjs h HIS 39 CO -0.00 0.65 0.54 1.98 0.86 0.00 0.00 177.93 181.96 2kjs h MET 40 N 1.18 1.03 -0.79 2.45 -1.53 -1.35 0.15 114.93 116.08 2kjs h MET 40 Ca 0.38 -0.06 -0.04 0.00 -3.44 0.00 0.00 59.70 56.53 2kjs h MET 40 Cb 0.02 -0.23 -0.04 0.00 -0.55 0.00 0.00 31.60 30.80 2kjs h MET 40 CO -0.13 0.68 0.32 -0.91 0.14 0.00 0.00 176.91 177.02 2kjs h ASN 41 N 1.06 1.08 -0.30 1.39 2.35 -1.36 -0.75 115.58 119.06 2kjs h ASN 41 Ca 0.33 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 2kjs h ASN 41 Cb -0.02 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 2kjs h ASN 41 CO -0.10 0.95 -0.26 -0.07 -1.65 0.00 0.00 177.43 176.30 2kjs h LEU 42 N 1.15 0.74 0.23 1.61 3.38 -0.72 -0.56 115.31 121.13 2kjs h LEU 42 Ca 0.26 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2kjs h LEU 42 Cb 0.21 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kjs h LEU 42 CO -0.02 1.04 -0.11 0.40 0.09 0.00 0.00 178.44 179.84 2kjs h ILE 43 N 0.45 0.82 -0.55 1.22 2.04 -0.48 0.11 117.51 121.12 2kjs h ILE 43 Ca 0.05 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 2kjs h ILE 43 Cb 0.82 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 2kjs h ILE 43 CO 0.07 0.06 0.17 1.62 0.00 0.00 0.00 178.15 180.06 2kjs h VAL 44 N -0.44 1.24 -0.31 1.67 3.04 -1.20 0.38 116.25 120.63 2kjs h VAL 44 Ca -0.03 -0.81 -0.01 0.00 -1.01 0.00 0.00 66.70 64.84 2kjs h VAL 44 Cb 0.33 0.72 -0.01 0.00 -2.01 0.00 0.00 31.29 30.32 2kjs h VAL 44 CO 0.05 0.30 0.16 -1.28 -1.01 0.00 0.00 177.57 175.79 2kjs h SER 45 N 0.77 0.39 -0.47 3.17 0.87 -1.02 0.21 113.55 117.47 2kjs h SER 45 Ca 0.18 -0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 2kjs h SER 45 Cb 0.29 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2kjs h SER 45 CO -0.00 0.38 0.05 -0.07 -0.53 0.00 0.00 176.83 176.65 2kjs h LEU 46 N 0.37 0.76 -0.24 2.23 3.38 -0.62 0.20 115.31 121.39 2kjs h LEU 46 Ca 0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2kjs h LEU 46 Cb 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2kjs h LEU 46 CO -0.02 0.85 0.04 -0.33 0.09 0.00 0.00 178.44 179.08 2kjs h GLU 47 N 0.65 0.39 -0.35 1.13 5.08 -0.74 0.16 114.58 120.91 2kjs h GLU 47 Ca 0.14 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2kjs h GLU 47 Cb 0.43 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2kjs h GLU 47 CO 0.01 0.52 -0.06 0.28 -1.00 0.00 0.00 179.01 178.76 2kjs h VAL 48 N 0.20 1.27 -0.24 3.13 2.07 -0.52 2.42 116.25 124.58 2kjs h VAL 48 Ca 0.07 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 2kjs h VAL 48 Cb 0.32 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2kjs h VAL 48 CO 0.00 0.36 0.10 -0.74 0.02 0.00 0.00 177.57 177.32 2kjs h HIS 49 N 0.44 0.36 -0.00 1.57 -0.00 -0.55 -2.89 115.15 114.08 2kjs h HIS 49 Ca 0.09 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 2kjs h HIS 49 Cb 0.56 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 2kjs h HIS 49 CO 0.05 0.37 -0.49 0.66 -0.00 0.00 0.00 177.93 178.52 2kjs n TYR 50 N -4.81 0.00 -3.36 5.26 4.01 0.04 -4.98 117.16 113.32 2kjs n TYR 50 Ca -0.03 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.53 2kjs n TYR 50 Cb 0.12 -0.18 0.07 0.00 -0.31 0.00 0.00 39.34 39.04 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 -1.22 -3.29 -4.15 -0.72 4.81 0.79 -5.02 118.16 109.36 2kjs n LYS 51 Ca 0.07 0.81 -0.11 0.00 -0.87 0.00 0.00 58.31 58.21 2kjs n LYS 51 Cb 0.34 -5.63 -0.09 0.00 0.02 0.00 0.00 35.03 29.67 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 -3.41 0.02 -0.06 3.15 -4.36 0.36 -5.00 121.20 111.91 2kjs s ILE 52 Ca 0.33 -1.86 0.04 0.00 -0.26 0.00 0.00 60.65 58.90 2kjs s ILE 52 Cb -0.05 -2.32 0.00 0.00 1.25 0.00 0.00 42.46 41.34 2kjs s ILE 52 CO 0.75 -0.11 -0.17 -0.75 0.24 0.00 0.00 174.94 174.90 2kjs s LYS 53 N -4.11 2.09 -0.02 0.37 2.20 -1.26 -4.46 119.74 114.54 2kjs s LYS 53 Ca 0.32 -0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 55.29 2kjs s LYS 53 Cb 0.06 -1.70 -0.04 0.00 -1.51 0.00 0.00 37.83 34.63 2kjs s LYS 53 CO 0.09 0.16 0.14 -0.06 -0.36 0.00 0.00 175.35 175.32 2kjs s PHE 54 N 0.31 3.47 0.47 4.03 0.08 -1.26 -5.11 117.98 119.97 2kjs s PHE 54 Ca -0.11 0.33 -0.03 0.00 0.12 0.00 0.00 56.93 57.24 2kjs s PHE 54 Cb -0.15 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.47 2kjs s PHE 54 CO 0.04 0.63 0.74 0.00 -0.10 0.00 0.00 175.22 176.53 2kjs s ALA 55 N -1.24 3.50 0.19 5.36 0.00 -1.26 -4.99 121.76 123.32 2kjs s ALA 55 Ca 0.24 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 2kjs s ALA 55 Cb -0.12 -2.42 0.10 0.00 0.00 0.00 0.00 23.12 20.68 2kjs s ALA 55 CO 0.15 -0.36 1.77 1.25 0.00 0.00 0.00 175.76 178.57 2kjs h LEU 56 N 0.30 0.86 -1.26 0.00 5.85 -2.00 -2.36 115.31 116.70 2kjs h LEU 56 Ca -0.47 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.09 2kjs h LEU 56 Cb 1.22 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2kjs h LEU 56 CO 0.61 0.75 0.22 1.23 -0.34 0.00 0.00 178.44 180.91 2kjs h GLY 57 N 0.91 0.78 1.17 3.75 0.00 -1.99 -2.24 103.07 105.44 2kjs h GLY 57 Ca 0.22 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 2kjs h GLY 57 CO -0.03 0.35 -0.04 0.83 0.00 0.00 0.00 176.54 177.66 2kjs h GLU 58 N 0.72 0.99 -0.66 4.80 5.08 -1.84 -2.70 114.58 120.97 2kjs h GLU 58 Ca 0.18 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2kjs h GLU 58 Cb 0.12 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2kjs h GLU 58 CO -0.02 1.00 0.21 -0.07 -1.00 0.00 0.00 179.01 179.13 2kjs h LEU 59 N 0.90 0.96 -0.05 1.33 3.38 -0.92 -1.78 115.31 119.12 2kjs h LEU 59 Ca 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2kjs h LEU 59 Cb 0.58 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kjs h LEU 59 CO 0.03 0.91 0.00 0.00 0.09 0.00 0.00 178.44 179.48 2kjs n GLN 60 N -4.34 0.02 0.00 1.13 1.13 -0.91 -2.09 117.38 112.32 2kjs n GLN 60 Ca 0.04 0.23 0.12 0.00 -1.94 0.00 0.00 57.00 55.46 2kjs n GLN 60 Cb 0.22 -1.53 0.20 0.00 0.11 0.00 0.00 30.24 29.23 2kjs n GLN 60 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2kjs n LYS 61 N -1.57 0.01 -3.02 -1.09 4.81 -0.68 -4.88 118.16 111.74 2kjs n LYS 61 Ca 0.04 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.09 2kjs n LYS 61 Cb 0.20 -1.51 -0.06 0.00 0.02 0.00 0.00 35.03 33.69 2kjs n LYS 61 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kjs s LEU 62 N -3.04 4.54 0.00 3.14 1.43 -0.89 -4.88 118.68 118.98 2kjs s LEU 62 Ca 0.10 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 2kjs s LEU 62 Cb 0.17 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 43.17 2kjs s LEU 62 CO 0.72 0.15 0.00 0.29 0.23 0.00 0.00 176.35 177.75 2kjs n LYS 63 N 2.01 0.00 -4.04 1.70 5.02 -1.26 -5.05 118.16 116.54 2kjs n LYS 63 Ca -0.05 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.98 2kjs n LYS 63 Cb 0.49 -0.25 -0.05 0.00 -0.02 0.00 0.00 35.03 35.21 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 -2.68 5.75 0.15 4.39 0.02 -1.26 -4.84 114.94 116.47 2kjs s ASN 64 Ca 0.00 -0.04 -0.13 0.00 -1.02 0.00 0.00 52.86 51.67 2kjs s ASN 64 Cb 0.00 -1.58 0.03 0.00 0.02 0.00 0.00 41.25 39.73 2kjs s ASN 64 CO 0.00 0.06 1.65 0.58 0.02 0.00 0.00 177.10 179.41 2kjs h VAL 65 N 1.92 1.25 -0.62 1.60 2.07 -1.82 -2.66 116.25 117.99 2kjs h VAL 65 Ca -0.48 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.18 2kjs h VAL 65 Cb 1.20 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 2kjs h VAL 65 CO 0.65 0.33 0.41 1.23 0.02 0.00 0.00 177.57 180.20 2kjs h GLY 66 N 0.73 0.80 1.08 2.17 0.00 -1.83 -1.10 103.07 104.93 2kjs h GLY 66 Ca 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 2kjs h GLY 66 CO 0.01 0.23 0.40 -0.55 0.00 0.00 0.00 176.54 176.63 2kjs h ASP 67 N 0.68 1.07 -0.49 0.19 3.32 -1.85 0.24 116.42 119.59 2kjs h ASP 67 Ca 0.25 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2kjs h ASP 67 Cb 0.15 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2kjs h ASP 67 CO -0.07 0.90 0.25 0.25 -1.72 0.00 0.00 179.24 178.84 2kjs h LEU 68 N 1.17 0.63 -0.60 1.55 5.85 -1.09 0.12 115.31 122.95 2kjs h LEU 68 Ca 0.29 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 2kjs h LEU 68 Cb 0.10 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2kjs h LEU 68 CO -0.04 0.57 -0.01 0.00 -0.34 0.00 0.00 178.44 178.61 2kjs h ALA 69 N 1.09 0.81 -0.41 1.25 0.00 -1.10 -2.50 119.26 118.39 2kjs h ALA 69 Ca 0.17 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2kjs h ALA 69 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2kjs h ALA 69 CO -0.02 0.66 -0.01 -0.44 0.00 0.00 0.00 179.25 179.43 2kjs h ASP 70 N 0.96 0.63 -0.69 0.00 3.32 -0.63 -2.57 116.42 117.45 2kjs h ASP 70 Ca 0.17 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2kjs h ASP 70 Cb 0.58 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 2kjs h ASP 70 CO 0.03 0.71 0.32 0.25 -1.72 0.00 0.00 179.24 178.83 2kjs h LEU 71 N 0.63 0.92 -0.17 1.55 5.85 -0.44 -0.24 115.31 123.41 2kjs h LEU 71 Ca 0.13 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2kjs h LEU 71 Cb 0.41 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2kjs h LEU 71 CO 0.02 0.81 0.10 0.58 -0.34 0.00 0.00 178.44 179.61 2kjs h VAL 72 N 0.97 1.08 -0.64 1.05 2.07 -1.07 0.65 116.25 120.36 2kjs h VAL 72 Ca 0.24 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 2kjs h VAL 72 Cb 0.15 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2kjs h VAL 72 CO -0.03 0.07 0.25 0.44 0.02 0.00 0.00 177.57 178.32 2kjs h ASP 73 N 0.19 0.89 -0.52 0.57 3.32 -1.29 -2.62 116.42 116.97 2kjs h ASP 73 Ca 0.06 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 2kjs h ASP 73 Cb 0.03 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 2kjs h ASP 73 CO -0.01 0.83 0.14 0.50 -1.72 0.00 0.00 179.24 178.97 2kjs h LYS 74 N 0.90 0.87 -0.21 3.56 3.64 -0.77 -1.49 116.57 123.07 2kjs h LYS 74 Ca 0.21 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2kjs h LYS 74 Cb 0.22 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2kjs h LYS 74 CO -0.02 0.78 0.12 -0.22 -2.27 0.00 0.00 179.45 177.85 2kjs h LYS 75 N 0.84 0.29 -0.65 1.90 1.63 -0.52 -0.09 116.57 119.96 2kjs h LYS 75 Ca 0.18 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.87 2kjs h LYS 75 Cb 0.30 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.85 2kjs h LYS 75 CO -0.00 0.25 0.08 -0.07 -3.45 0.00 0.00 179.45 176.25 2kjs h LEU 76 N 0.25 1.06 -0.75 5.20 3.38 -1.31 -2.28 115.31 120.86 2kjs h LEU 76 Ca 0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2kjs h LEU 76 Cb 0.04 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2kjs h LEU 76 CO -0.01 1.07 0.35 0.00 0.09 0.00 0.00 178.44 179.94 2kjs h ALA 77 N 1.05 0.97 -0.62 1.53 0.00 -0.99 -1.93 119.26 119.27 2kjs h ALA 77 Ca 0.20 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2kjs h ALA 77 Cb 0.48 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2kjs h ALA 77 CO 0.02 0.54 0.21 -0.09 0.00 0.00 0.00 179.25 179.93 2kjs h ARG 78 N 1.06 0.96 -0.52 0.00 2.43 -0.80 -1.53 114.38 115.98 2kjs h ARG 78 Ca 0.26 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2kjs h ARG 78 Cb 0.13 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2kjs h ARG 78 CO -0.03 0.83 0.32 -0.22 -1.51 0.00 0.00 179.97 179.36 2kjs h LYS 79 N 0.89 0.70 -0.64 0.20 3.64 -1.07 0.12 116.57 120.40 2kjs h LYS 79 Ca 0.20 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2kjs h LYS 79 Cb 0.26 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2kjs h LYS 79 CO -0.01 0.50 0.26 -0.07 -2.27 0.00 0.00 179.45 177.87 2kjs h LEU 80 N 0.69 0.87 -0.46 5.20 3.38 -1.13 -2.89 115.31 120.98 2kjs h LEU 80 Ca 0.19 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2kjs h LEU 80 Cb -0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2kjs h LEU 80 CO -0.04 0.80 -0.05 -0.33 0.09 0.00 0.00 178.44 178.91 2kjs h GLU 81 N 0.90 0.85 -4.87 1.13 4.39 -0.92 -3.40 114.58 112.66 2kjs h GLU 81 Ca 0.21 -0.30 -0.67 0.00 0.34 0.00 0.00 59.36 58.95 2kjs h GLU 81 Cb 0.19 -0.06 -0.36 0.00 -0.10 0.00 0.00 28.75 28.41 2kjs h GLU 81 CO -0.02 0.93 -0.79 -1.01 -1.16 0.00 0.00 179.01 176.96 2kjs s HIS 82 N -4.91 3.25 0.17 4.33 3.76 0.38 -4.99 115.29 117.29 2kjs s HIS 82 Ca -0.12 -2.24 -0.09 0.00 -0.15 0.00 0.00 55.06 52.46 2kjs s HIS 82 Cb 0.11 -1.95 0.05 0.00 1.11 0.00 0.00 32.58 31.90 2kjs s HIS 82 CO 0.83 -0.87 1.61 0.45 -0.85 0.00 0.00 174.74 175.91 2kjs h HIS 83 N 7.81 1.18 -3.54 1.40 3.86 -1.78 -3.40 115.15 120.67 2kjs h HIS 83 Ca -0.21 -0.23 -0.67 0.00 -1.16 0.00 0.00 60.37 58.11 2kjs h HIS 83 Cb 1.05 -0.30 -0.33 0.00 1.06 0.00 0.00 27.41 28.90 2kjs h HIS 83 CO 0.63 1.06 -0.88 -1.58 0.86 0.00 0.00 177.93 178.03 2kjs s HIS 84 N -4.91 2.42 -0.09 2.45 5.65 -1.26 -5.06 115.29 114.49 2kjs s HIS 84 Ca -0.12 -0.91 -0.30 0.00 0.25 0.00 0.00 55.06 53.99 2kjs s HIS 84 Cb 0.13 -1.62 -0.04 0.00 -1.18 0.00 0.00 32.58 29.88 2kjs s HIS 84 CO 0.86 -0.35 1.42 -1.01 -0.65 0.00 0.00 174.74 175.01 2kjs s HIS 85 N 0.22 2.57 0.13 3.88 0.09 -1.26 -4.91 115.29 116.01 2kjs s HIS 85 Ca -0.14 0.71 -0.14 0.00 -0.00 0.00 0.00 55.06 55.49 2kjs s HIS 85 Cb -0.17 -3.67 -0.00 0.00 -0.00 0.00 0.00 32.58 28.74 2kjs s HIS 85 CO 0.07 -2.55 1.59 1.25 -0.00 0.00 0.00 174.74 175.10 2kjs h HIS 86 N 8.54 0.82 0.00 1.40 6.17 -1.98 -3.55 115.15 126.55 2kjs h HIS 86 Ca -0.33 -0.14 0.00 0.00 0.71 0.00 0.00 60.37 60.61 2kjs h HIS 86 Cb 1.14 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 30.86 2kjs h HIS 86 CO 0.82 0.80 0.00 0.72 0.71 0.00 0.00 177.93 180.98