#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 3.69 -0.01 0.03 0.04 -1.26 -4.89 135.00 132.60 2kjs s PRO 2 Ca 0.00 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 62.42 2kjs s PRO 2 Cb 0.00 -4.03 -0.01 0.00 0.04 0.00 0.00 34.50 30.50 2kjs s PRO 2 CO 0.00 -1.41 -0.03 0.25 0.04 0.00 0.00 177.00 175.85 2kjs n THR 3 N 6.68 0.13 -0.23 1.26 -2.24 -1.26 -3.91 114.28 114.70 2kjs n THR 3 Ca 0.18 0.45 -0.07 0.00 -2.27 0.00 0.00 64.05 62.34 2kjs n THR 3 Cb 0.46 -1.55 0.04 0.00 -2.10 0.00 0.00 70.33 67.18 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 -0.08 0.92 -1.58 3.22 -0.00 -1.97 0.60 115.31 116.41 2kjs h LEU 4 Ca 0.00 -0.19 -0.02 0.00 -0.00 0.00 0.00 57.88 57.67 2kjs h LEU 4 Cb 0.08 -0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 40.50 2kjs h LEU 4 CO 0.00 0.86 -0.10 0.44 -0.00 0.00 0.00 178.44 179.64 2kjs h ASP 5 N 0.92 0.00 0.29 -0.43 3.32 -1.97 0.20 116.42 118.76 2kjs h ASP 5 Ca 0.21 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.93 2kjs h ASP 5 Cb 0.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 2kjs h ASP 5 CO -0.01 0.10 -1.70 0.00 -1.72 0.00 0.00 179.24 175.91 2kjs h ALA 6 N 1.90 0.24 -0.00 3.45 0.00 -1.47 -3.33 119.26 120.04 2kjs h ALA 6 Ca -0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.74 2kjs h ALA 6 Cb 0.50 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2kjs h ALA 6 CO 0.01 1.11 -0.31 1.28 0.00 0.00 0.00 179.25 181.34 2kjs n LEU 7 N -3.51 0.43 0.17 0.00 4.77 0.13 -4.01 117.00 114.98 2kjs n LEU 7 Ca -0.22 0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 55.75 2kjs n LEU 7 Cb 1.06 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.80 2kjs n LEU 7 CO 0.50 0.10 0.34 0.74 -1.33 0.00 0.00 177.39 177.74 2kjs h THR 8 N 0.19 0.33 -0.91 -5.08 2.02 -0.71 -2.38 112.91 106.37 2kjs h THR 8 Ca 0.00 -0.69 0.06 0.00 0.77 0.00 0.00 66.41 66.55 2kjs h THR 8 Cb 0.48 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.36 2kjs h THR 8 CO 0.00 0.07 0.59 1.55 0.37 0.00 0.00 175.52 178.10 2kjs h PRO 9 N -1.03 1.00 -0.41 6.66 0.13 -1.72 -1.63 132.00 135.00 2kjs h PRO 9 Ca -0.05 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.98 2kjs h PRO 9 Cb 0.50 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 31.39 2kjs h PRO 9 CO 0.08 0.66 0.10 0.82 -0.23 0.00 0.00 178.00 179.44 2kjs h ILE 10 N 1.03 1.23 -0.55 -3.56 2.04 -1.69 -1.12 117.51 114.89 2kjs h ILE 10 Ca 0.39 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 2kjs h ILE 10 Cb 0.20 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2kjs h ILE 10 CO -0.15 0.28 0.27 -0.26 0.00 0.00 0.00 178.15 178.29 2kjs h PHE 11 N 0.53 0.79 -0.64 1.37 -1.00 -0.86 0.12 116.94 117.24 2kjs h PHE 11 Ca 0.13 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.83 2kjs h PHE 11 Cb 0.31 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.60 2kjs h PHE 11 CO 0.02 0.61 0.25 0.00 -1.61 0.00 0.00 178.31 177.57 2kjs h ARG 12 N 0.74 0.97 -0.33 1.51 3.08 -1.15 0.33 114.38 119.52 2kjs h ARG 12 Ca 0.19 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 2kjs h ARG 12 Cb 0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2kjs h ARG 12 CO -0.02 0.82 -0.10 0.37 -1.07 0.00 0.00 179.97 179.97 2kjs h GLN 13 N 0.91 0.65 -0.38 0.04 4.15 -0.94 -1.95 115.11 117.58 2kjs h GLN 13 Ca 0.21 -0.26 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 2kjs h GLN 13 Cb 0.22 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2kjs h GLN 13 CO -0.02 0.83 0.07 0.28 -1.93 0.00 0.00 178.83 178.07 2kjs h VAL 14 N 0.43 1.23 0.00 2.39 2.07 -0.82 -2.10 116.25 119.46 2kjs h VAL 14 Ca 0.08 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2kjs h VAL 14 Cb 0.60 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2kjs h VAL 14 CO 0.04 0.28 0.00 0.33 0.02 0.00 0.00 177.57 178.24 2kjs n PHE 15 N -4.56 0.00 -1.13 1.57 7.35 0.09 -4.83 117.46 115.96 2kjs n PHE 15 Ca -0.01 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.60 2kjs n PHE 15 Cb 0.22 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.01 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 -0.95 -2.91 -3.51 -2.13 -0.08 -0.78 -4.81 116.55 101.37 2kjs n ASP 16 Ca 0.18 0.21 -0.10 0.00 -1.51 0.00 0.00 54.79 53.57 2kjs n ASP 16 Cb 0.08 -2.60 -0.03 0.00 2.34 0.00 0.00 41.12 40.92 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 -1.71 -0.40 0.00 1.67 1.01 -0.95 -5.02 116.67 111.26 2kjs s ASP 17 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.38 2kjs s ASP 17 Cb 0.00 0.40 0.00 0.00 1.01 0.00 0.00 42.92 44.33 2kjs s ASP 17 CO 0.00 -0.60 0.00 0.47 0.21 0.00 0.00 175.17 175.25 2kjs n ASP 18 N -0.01 0.00 0.00 0.27 8.00 -1.26 -4.55 116.55 118.99 2kjs n ASP 18 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 2kjs n ASP 18 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 2kjs n ASP 18 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2kjs n SER 19 N 0.00 0.00 -4.71 -2.24 2.88 -1.26 -4.87 113.62 103.42 2kjs n SER 19 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 2kjs n SER 19 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2kjs n SER 19 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kjs s ILE 20 N 0.00 4.64 -0.55 2.46 1.01 -1.26 -4.92 121.20 122.58 2kjs s ILE 20 Ca 0.00 1.92 0.19 0.00 0.00 0.00 0.00 60.65 62.76 2kjs s ILE 20 Cb 0.00 -4.23 -0.24 0.00 0.01 0.00 0.00 42.46 38.00 2kjs s ILE 20 CO 0.00 0.16 0.65 0.52 0.00 0.00 0.00 174.94 176.27 2kjs n VAL 21 N 3.79 0.00 -2.15 2.92 0.31 -1.26 -4.94 118.33 116.99 2kjs n VAL 21 Ca 0.06 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2kjs n VAL 21 Cb 0.50 0.64 0.00 0.00 -0.91 0.00 0.00 33.84 34.07 2kjs n VAL 21 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2kjs n LEU 22 N -1.72 -5.18 -4.29 7.52 0.00 -1.26 -5.01 117.00 107.06 2kjs n LEU 22 Ca 0.01 2.73 -0.16 0.00 0.00 0.00 0.00 56.01 58.59 2kjs n LEU 22 Cb 0.37 -2.91 -0.10 0.00 0.00 0.00 0.00 43.42 40.78 2kjs n LEU 22 CO 0.39 -2.12 -0.30 0.42 0.00 0.00 0.00 177.39 175.78 2kjs s THR 23 N -0.46 0.70 0.20 1.96 -4.23 -1.26 -5.03 115.64 107.52 2kjs s THR 23 Ca 0.00 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 2kjs s THR 23 Cb 0.00 -2.39 0.14 0.00 1.34 0.00 0.00 72.50 71.59 2kjs s THR 23 CO 0.00 -0.24 1.81 -0.09 -0.54 0.00 0.00 174.62 175.56 2kjs h ARG 24 N 2.51 1.04 0.00 3.99 2.43 -2.01 -1.40 114.38 120.95 2kjs h ARG 24 Ca -0.38 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2kjs h ARG 24 Cb 1.23 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2kjs h ARG 24 CO 0.62 0.79 0.00 0.93 -1.51 0.00 0.00 179.97 180.81 2kjs h GLU 25 N 1.02 0.00 -6.74 0.20 3.07 -2.03 -3.41 114.58 106.68 2kjs h GLU 25 Ca 0.26 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.59 2kjs h GLU 25 Cb 0.07 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 28.05 2kjs h GLU 25 CO -0.04 0.00 0.92 0.99 -1.40 0.00 0.00 179.01 179.48 2kjs s THR 26 N -3.82 2.13 0.23 1.13 2.01 -0.53 -4.98 115.64 111.81 2kjs s THR 26 Ca -0.01 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.08 2kjs s THR 26 Cb 0.10 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 2kjs s THR 26 CO 0.48 0.01 0.20 -0.44 -0.69 0.00 0.00 174.62 174.18 2kjs s SER 27 N 0.75 0.38 0.24 3.53 0.01 -1.26 -3.99 113.70 113.36 2kjs s SER 27 Ca 0.67 -1.40 -0.07 0.00 1.31 0.00 0.00 55.95 56.46 2kjs s SER 27 Cb -0.48 0.44 0.25 0.00 0.21 0.00 0.00 66.02 66.43 2kjs s SER 27 CO 0.42 -0.92 1.92 0.00 0.41 0.00 0.00 173.24 175.07 2kjs h ALA 28 N 2.50 1.23 -0.67 1.44 0.00 -1.94 -1.78 119.26 120.03 2kjs h ALA 28 Ca -0.33 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2kjs h ALA 28 Cb 1.25 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2kjs h ALA 28 CO 0.48 0.61 0.17 -0.97 0.00 0.00 0.00 179.25 179.55 2kjs h ASN 29 N 1.31 1.00 -0.33 0.00 -1.24 -1.96 -2.52 115.58 111.84 2kjs h ASN 29 Ca 0.36 -0.20 -0.05 0.00 0.71 0.00 0.00 56.30 57.12 2kjs h ASN 29 Cb -0.15 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.62 2kjs h ASN 29 CO -0.08 0.96 0.06 -0.78 -1.29 0.00 0.00 177.43 176.30 2kjs h ASP 30 N 1.01 0.59 -3.76 1.15 1.82 -1.75 -3.39 116.42 112.09 2kjs h ASP 30 Ca 0.21 -0.10 -0.67 0.00 -0.39 0.00 0.00 57.03 56.08 2kjs h ASP 30 Cb 0.34 -0.15 -0.18 0.00 0.68 0.00 0.00 39.33 40.02 2kjs h ASP 30 CO -0.00 0.62 -0.49 -0.63 -1.61 0.00 0.00 179.24 177.13 2kjs s ILE 31 N -5.08 5.29 0.24 2.25 1.01 -0.74 -4.95 121.20 119.21 2kjs s ILE 31 Ca -0.08 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.49 2kjs s ILE 31 Cb 0.16 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 2kjs s ILE 31 CO 0.78 0.06 1.58 -2.24 0.00 0.00 0.00 174.94 175.11 2kjs h ASP 32 N 8.46 0.32 0.00 3.58 2.03 -1.77 -2.82 116.42 126.21 2kjs h ASP 32 Ca -0.32 -0.17 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 2kjs h ASP 32 Cb 1.17 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.57 2kjs h ASP 32 CO 0.61 0.81 0.00 0.00 -1.03 0.00 0.00 179.24 179.63 2kjs n ALA 33 N -2.48 1.87 -2.96 4.15 0.00 -1.26 -4.38 120.51 115.46 2kjs n ALA 33 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.98 2kjs n ALA 33 Cb 0.59 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2kjs n ALA 33 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2kjs n TRP 34 N -0.17 4.72 -3.43 0.00 -0.00 -1.07 -4.94 117.44 112.55 2kjs n TRP 34 Ca 0.00 -3.38 -0.26 0.00 -0.00 0.00 0.00 57.50 53.86 2kjs n TRP 34 Cb 0.05 -2.04 -0.02 0.00 -0.00 0.00 0.00 31.31 29.30 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 2.15 6.37 0.22 5.87 2.15 -1.26 -4.99 116.67 127.18 2kjs s ASP 35 Ca 0.40 0.54 -0.09 0.00 0.43 0.00 0.00 52.55 53.83 2kjs s ASP 35 Cb -0.03 -2.07 0.19 0.00 -0.30 0.00 0.00 42.92 40.72 2kjs s ASP 35 CO -0.01 -0.20 1.89 0.28 -0.17 0.00 0.00 175.17 176.96 2kjs h SER 36 N 1.40 0.92 -0.64 -0.34 0.02 -1.99 -1.03 113.55 111.89 2kjs h SER 36 Ca -0.49 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.41 2kjs h SER 36 Cb 1.20 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 2kjs h SER 36 CO 0.65 0.66 0.26 -0.07 -1.14 0.00 0.00 176.83 177.18 2kjs h LEU 37 N 1.08 0.88 -1.49 5.07 3.38 -2.00 -2.06 115.31 120.16 2kjs h LEU 37 Ca 0.30 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2kjs h LEU 37 Cb -0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 2kjs h LEU 37 CO -0.08 0.80 -0.23 0.77 0.09 0.00 0.00 178.44 179.80 2kjs h SER 38 N 0.89 0.00 -0.58 -0.43 4.64 -1.80 -2.72 113.55 113.56 2kjs h SER 38 Ca 0.21 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.43 2kjs h SER 38 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 2kjs h SER 38 CO -0.02 0.23 -0.05 -0.74 -0.87 0.00 0.00 176.83 175.39 2kjs h HIS 39 N 0.00 1.17 -0.76 4.77 -0.00 -0.48 -2.84 115.15 117.00 2kjs h HIS 39 Ca -0.00 -0.22 -0.02 0.00 -0.00 0.00 0.00 60.37 60.13 2kjs h HIS 39 Cb 0.55 -0.30 -0.04 0.00 -0.00 0.00 0.00 27.41 27.63 2kjs h HIS 39 CO 0.00 1.04 0.40 1.98 -0.00 0.00 0.00 177.93 181.35 2kjs h MET 40 N 0.96 1.06 -0.84 5.26 -1.53 -1.24 -2.35 114.93 116.25 2kjs h MET 40 Ca 0.16 -0.13 -0.01 0.00 -3.44 0.00 0.00 59.70 56.29 2kjs h MET 40 Cb 0.61 -0.21 -0.04 0.00 -0.55 0.00 0.00 31.60 31.41 2kjs h MET 40 CO 0.04 0.80 0.51 -0.97 0.14 0.00 0.00 176.91 177.42 2kjs h ASN 41 N 1.07 1.01 -0.64 1.39 -0.73 -1.48 -1.07 115.58 115.14 2kjs h ASN 41 Ca 0.27 -0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.34 2kjs h ASN 41 Cb 0.06 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.36 2kjs h ASN 41 CO -0.04 0.78 0.28 -0.07 -0.37 0.00 0.00 177.43 178.02 2kjs h LEU 42 N 1.16 0.86 -0.50 0.34 3.38 -1.27 -0.97 115.31 118.31 2kjs h LEU 42 Ca 0.30 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2kjs h LEU 42 Cb -0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2kjs h LEU 42 CO -0.06 0.77 0.16 0.40 0.09 0.00 0.00 178.44 179.81 2kjs h ILE 43 N 0.89 1.23 -0.28 1.22 2.04 -1.04 -0.45 117.51 121.12 2kjs h ILE 43 Ca 0.22 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2kjs h ILE 43 Cb 0.16 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2kjs h ILE 43 CO -0.02 0.28 0.15 0.58 0.00 0.00 0.00 178.15 179.13 2kjs h VAL 44 N 0.67 1.13 -0.29 1.67 2.07 -0.92 0.25 116.25 120.83 2kjs h VAL 44 Ca 0.16 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2kjs h VAL 44 Cb 0.26 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2kjs h VAL 44 CO -0.01 0.13 0.14 0.77 0.02 0.00 0.00 177.57 178.62 2kjs h SER 45 N 0.33 0.38 -0.63 0.57 4.64 -1.03 -1.77 113.55 116.04 2kjs h SER 45 Ca 0.10 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.24 2kjs h SER 45 Cb 0.08 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 2kjs h SER 45 CO -0.01 0.39 0.20 -0.07 -0.87 0.00 0.00 176.83 176.47 2kjs h LEU 46 N 0.33 0.91 -0.02 5.97 3.38 -0.92 0.13 115.31 125.09 2kjs h LEU 46 Ca 0.10 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2kjs h LEU 46 Cb 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2kjs h LEU 46 CO -0.01 0.88 -0.06 -0.08 0.09 0.00 0.00 178.44 179.25 2kjs h GLU 47 N 0.90 -0.09 -0.29 1.13 4.81 -0.29 -1.63 114.58 119.12 2kjs h GLU 47 Ca 0.20 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 2kjs h GLU 47 Cb 0.29 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2kjs h GLU 47 CO -0.01 -0.06 -0.15 0.28 -0.73 0.00 0.00 179.01 178.34 2kjs h VAL 48 N -0.09 1.30 0.00 0.32 2.07 -1.21 0.15 116.25 118.79 2kjs h VAL 48 Ca 0.03 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2kjs h VAL 48 Cb 0.14 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2kjs h VAL 48 CO -0.08 0.40 0.00 1.41 0.02 0.00 0.00 177.57 179.32 2kjs n HIS 49 N -4.40 0.00 0.29 1.57 8.25 0.44 -2.65 115.22 118.71 2kjs n HIS 49 Ca -0.03 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.57 2kjs n HIS 49 Cb 0.38 -0.19 0.87 0.00 1.12 0.00 0.00 29.99 32.16 2kjs n HIS 49 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2kjs h TYR 50 N 0.00 0.00 -4.33 4.41 0.05 -1.44 -3.46 116.97 112.20 2kjs h TYR 50 Ca 0.00 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.55 2kjs h TYR 50 Cb 0.00 0.00 0.11 0.00 1.01 0.00 0.00 36.73 37.85 2kjs h TYR 50 CO -0.04 0.05 -0.49 1.17 -1.05 0.00 0.00 178.16 177.79 2kjs n LYS 51 N -3.70 -4.57 -4.29 4.88 4.81 0.50 -5.04 118.16 110.76 2kjs n LYS 51 Ca -0.02 0.55 -0.15 0.00 -0.87 0.00 0.00 58.31 57.81 2kjs n LYS 51 Cb 0.14 -4.70 -0.10 0.00 0.02 0.00 0.00 35.03 30.39 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 -3.23 0.91 0.04 3.15 -4.36 -1.03 -5.02 121.20 111.66 2kjs s ILE 52 Ca 0.10 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.48 2kjs s ILE 52 Cb -0.04 -2.21 -0.04 0.00 1.25 0.00 0.00 42.46 41.42 2kjs s ILE 52 CO 0.48 -0.42 0.12 -0.54 0.24 0.00 0.00 174.94 174.82 2kjs s LYS 53 N -3.87 3.12 -0.09 0.37 -0.14 -1.26 -4.67 119.74 113.21 2kjs s LYS 53 Ca 0.26 -0.54 0.00 0.00 -1.36 0.00 0.00 55.97 54.33 2kjs s LYS 53 Cb 0.05 -2.88 -0.03 0.00 -1.68 0.00 0.00 37.83 33.30 2kjs s LYS 53 CO 0.06 0.61 -0.08 -0.06 -0.76 0.00 0.00 175.35 175.12 2kjs s PHE 54 N -1.36 2.91 0.42 3.18 0.40 -1.26 -5.11 117.98 117.17 2kjs s PHE 54 Ca 0.29 -0.11 -0.23 0.00 -0.60 0.00 0.00 56.93 56.27 2kjs s PHE 54 Cb -0.12 -1.75 -0.09 0.00 0.51 0.00 0.00 43.02 41.57 2kjs s PHE 54 CO 0.21 0.21 1.06 0.00 0.70 0.00 0.00 175.22 177.40 2kjs s ALA 55 N -0.51 3.03 0.18 5.36 0.00 -1.26 -4.93 121.76 123.63 2kjs s ALA 55 Ca 0.07 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 2kjs s ALA 55 Cb -0.12 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.80 2kjs s ALA 55 CO 0.02 -0.29 1.76 1.25 0.00 0.00 0.00 175.76 178.51 2kjs h LEU 56 N 2.28 0.78 -0.52 0.00 5.85 -1.99 -0.30 115.31 121.41 2kjs h LEU 56 Ca -0.49 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.06 2kjs h LEU 56 Cb 1.22 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 2kjs h LEU 56 CO 0.61 0.69 0.16 1.23 -0.34 0.00 0.00 178.44 180.79 2kjs h GLY 57 N 0.82 0.88 1.73 3.75 0.00 -1.99 -2.52 103.07 105.75 2kjs h GLY 57 Ca 0.21 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 2kjs h GLY 57 CO -0.03 0.49 -0.27 0.83 0.00 0.00 0.00 176.54 177.57 2kjs h GLU 58 N 0.72 0.31 -0.29 4.80 4.39 -1.89 -0.98 114.58 121.63 2kjs h GLU 58 Ca 0.17 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 2kjs h GLU 58 Cb 0.29 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2kjs h GLU 58 CO -0.00 0.56 0.11 1.25 -1.16 0.00 0.00 179.01 179.76 2kjs h LEU 59 N 0.28 0.41 0.00 1.33 7.12 -0.68 -2.74 115.31 121.03 2kjs h LEU 59 Ca 0.04 -0.18 0.00 0.00 0.13 0.00 0.00 57.88 57.87 2kjs h LEU 59 Cb 0.62 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 2kjs h LEU 59 CO 0.04 0.48 -0.15 0.00 -0.13 0.00 0.00 178.44 178.69 2kjs n GLN 60 N -4.73 0.10 -0.54 1.25 10.64 -0.98 -3.32 117.38 119.80 2kjs n GLN 60 Ca -0.02 0.07 0.07 0.00 -1.83 0.00 0.00 57.00 55.29 2kjs n GLN 60 Cb 0.15 -1.60 0.30 0.00 -0.86 0.00 0.00 30.24 28.22 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 -1.77 3.38 -2.22 2.61 5.02 -0.38 -4.95 118.16 119.85 2kjs n LYS 61 Ca 0.06 -2.34 -0.42 0.00 -2.02 0.00 0.00 58.31 53.60 2kjs n LYS 61 Cb 0.37 -1.84 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 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 -1.69 4.40 -0.38 -0.35 1.43 -1.14 -4.99 118.68 115.96 2kjs s LEU 62 Ca 0.42 2.37 0.01 0.00 -1.03 0.00 0.00 54.13 55.89 2kjs s LEU 62 Cb 0.28 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 43.03 2kjs s LEU 62 CO 0.18 -0.55 0.21 -0.75 0.23 0.00 0.00 176.35 175.68 2kjs s LYS 63 N 0.22 0.85 0.17 1.70 2.20 -1.26 -5.06 119.74 118.56 2kjs s LYS 63 Ca 0.59 -1.57 0.00 0.00 -0.36 0.00 0.00 55.97 54.62 2kjs s LYS 63 Cb -0.36 -1.76 0.00 0.00 -1.51 0.00 0.00 37.83 34.20 2kjs s LYS 63 CO 0.36 -1.17 0.00 0.09 -0.36 0.00 0.00 175.35 174.27 2kjs n ASN 64 N 3.91 -4.20 -0.16 1.43 5.03 -1.26 -2.99 115.26 117.03 2kjs n ASN 64 Ca 0.09 0.31 -0.09 0.00 0.87 0.00 0.00 54.58 55.76 2kjs n ASN 64 Cb 0.36 -2.15 -0.00 0.00 -1.02 0.00 0.00 39.78 36.97 2kjs n ASN 64 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 2kjs h VAL 65 N -0.66 1.24 -0.80 2.41 2.07 -1.84 -2.93 116.25 115.75 2kjs h VAL 65 Ca 0.01 -0.89 0.19 0.00 0.82 0.00 0.00 66.70 66.83 2kjs h VAL 65 Cb 0.65 0.95 -0.13 0.00 -1.52 0.00 0.00 31.29 31.24 2kjs h VAL 65 CO 0.01 0.31 0.11 1.23 0.02 0.00 0.00 177.57 179.25 2kjs h GLY 66 N 0.61 1.06 0.96 2.17 0.00 -1.80 0.64 103.07 106.70 2kjs h GLY 66 Ca 0.14 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 2kjs h GLY 66 CO 0.01 -0.30 0.09 -1.80 0.00 0.00 0.00 176.54 174.53 2kjs h ASP 67 N 0.17 0.69 -0.54 0.19 1.82 -1.42 -1.08 116.42 116.25 2kjs h ASP 67 Ca 0.47 -0.25 -0.04 0.00 -0.39 0.00 0.00 57.03 56.82 2kjs h ASP 67 Cb 0.86 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.67 2kjs h ASP 67 CO -0.64 0.76 0.18 0.25 -1.61 0.00 0.00 179.24 178.18 2kjs h LEU 68 N 0.59 0.78 -0.62 2.28 6.46 -0.51 -0.66 115.31 123.62 2kjs h LEU 68 Ca 0.14 -0.20 -0.03 0.00 -0.12 0.00 0.00 57.88 57.67 2kjs h LEU 68 Cb 0.35 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 2kjs h LEU 68 CO 0.01 0.77 0.28 0.00 -0.62 0.00 0.00 178.44 178.87 2kjs h ALA 69 N 1.04 0.81 -0.44 1.25 0.00 0.26 -2.02 119.26 120.15 2kjs h ALA 69 Ca 0.18 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2kjs h ALA 69 Cb 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2kjs h ALA 69 CO -0.01 0.39 -0.01 0.22 0.00 0.00 0.00 179.25 179.84 2kjs h ASP 70 N 0.86 0.70 -0.64 0.00 1.82 -0.97 -2.53 116.42 115.67 2kjs h ASP 70 Ca 0.21 -0.17 -0.02 0.00 -0.39 0.00 0.00 57.03 56.67 2kjs h ASP 70 Cb 0.15 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 39.94 2kjs h ASP 70 CO -0.02 0.78 0.32 0.25 -1.61 0.00 0.00 179.24 178.96 2kjs h LEU 71 N 0.69 0.82 -0.32 2.28 5.85 -0.61 0.30 115.31 124.31 2kjs h LEU 71 Ca 0.13 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2kjs h LEU 71 Cb 0.45 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2kjs h LEU 71 CO 0.02 0.70 0.18 0.58 -0.34 0.00 0.00 178.44 179.58 2kjs h VAL 72 N 0.87 1.12 -0.68 1.05 2.07 -1.08 -1.24 116.25 118.37 2kjs h VAL 72 Ca 0.22 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 2kjs h VAL 72 Cb 0.09 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2kjs h VAL 72 CO -0.03 0.12 0.22 0.44 0.02 0.00 0.00 177.57 178.33 2kjs h ASP 73 N 0.40 0.96 -0.28 0.57 3.32 -1.18 -1.31 116.42 118.90 2kjs h ASP 73 Ca 0.11 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2kjs h ASP 73 Cb 0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 2kjs h ASP 73 CO -0.02 0.90 0.15 0.50 -1.72 0.00 0.00 179.24 179.05 2kjs h LYS 74 N 1.00 0.40 -0.62 3.56 3.64 -0.54 0.33 116.57 124.34 2kjs h LYS 74 Ca 0.22 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 2kjs h LYS 74 Cb 0.28 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2kjs h LYS 74 CO -0.01 0.35 0.20 0.87 -2.27 0.00 0.00 179.45 178.59 2kjs h LYS 75 N 0.34 0.96 -0.63 1.90 1.57 -1.02 -1.72 116.57 117.97 2kjs h LYS 75 Ca 0.10 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2kjs h LYS 75 Cb 0.07 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 2kjs h LYS 75 CO -0.02 0.85 0.25 -0.07 -0.57 0.00 0.00 179.45 179.89 2kjs h LEU 76 N 0.89 0.88 -0.64 2.94 3.38 -0.98 -0.13 115.31 121.65 2kjs h LEU 76 Ca 0.20 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2kjs h LEU 76 Cb 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2kjs h LEU 76 CO -0.01 0.81 0.28 0.00 0.09 0.00 0.00 178.44 179.61 2kjs h ALA 77 N 1.10 0.83 -0.35 1.53 0.00 -0.71 -2.24 119.26 119.42 2kjs h ALA 77 Ca 0.21 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2kjs h ALA 77 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2kjs h ALA 77 CO -0.02 0.42 -0.11 0.00 0.00 0.00 0.00 179.25 179.54 2kjs h ARG 78 N 0.89 0.60 -0.59 0.00 3.08 -1.01 -2.65 114.38 114.70 2kjs h ARG 78 Ca 0.22 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2kjs h ARG 78 Cb 0.17 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 2kjs h ARG 78 CO -0.02 0.70 0.39 -0.22 -1.07 0.00 0.00 179.97 179.75 2kjs h LYS 79 N 0.55 0.78 -0.61 0.04 1.63 -0.46 0.47 116.57 118.98 2kjs h LYS 79 Ca 0.10 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 2kjs h LYS 79 Cb 0.52 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 2kjs h LYS 79 CO 0.03 0.52 0.26 -0.07 -3.45 0.00 0.00 179.45 176.74 2kjs h LEU 80 N 0.80 0.83 -0.06 5.20 3.38 -1.18 -1.46 115.31 122.83 2kjs h LEU 80 Ca 0.22 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kjs h LEU 80 Cb -0.09 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.44 2kjs h LEU 80 CO -0.05 0.76 -0.03 -0.62 0.09 0.00 0.00 178.44 178.60 2kjs n GLU 81 N -4.47 0.56 0.00 1.13 1.02 -0.96 -5.00 120.64 112.92 2kjs n GLU 81 Ca 0.04 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2kjs n GLU 81 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2kjs n GLU 81 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2kjs n HIS 82 N -1.17 -0.86 0.12 -0.32 1.44 0.16 -4.98 115.22 109.61 2kjs n HIS 82 Ca 0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.87 2kjs n HIS 82 Cb 0.23 0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.37 2kjs n HIS 82 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kjs n HIS 83 N -0.13 -3.56 1.65 -1.40 -0.00 -1.26 -4.87 115.22 105.65 2kjs n HIS 83 Ca 0.00 0.82 0.15 0.00 0.46 0.00 0.00 57.72 59.15 2kjs n HIS 83 Cb 0.00 2.26 0.81 0.00 -0.12 0.00 0.00 29.99 32.95 2kjs n HIS 83 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kjs n HIS 84 N -3.18 0.00 -1.34 1.57 -0.00 -1.26 -5.02 115.22 105.99 2kjs n HIS 84 Ca 0.00 0.00 0.16 0.00 0.46 0.00 0.00 57.72 58.34 2kjs n HIS 84 Cb 0.00 -0.15 -0.07 0.00 -0.12 0.00 0.00 29.99 29.65 2kjs n HIS 84 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kjs n HIS 85 N -1.09 -3.33 -2.51 1.57 -0.00 -1.26 -4.76 115.22 103.84 2kjs n HIS 85 Ca 0.18 1.79 -0.39 0.00 0.46 0.00 0.00 57.72 59.76 2kjs n HIS 85 Cb 0.20 -3.03 -0.04 0.00 -0.12 0.00 0.00 29.99 26.99 2kjs n HIS 85 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kjs s HIS 86 N -3.73 3.50 -2.00 1.57 3.76 -1.26 -5.19 115.29 111.94 2kjs s HIS 86 Ca 0.00 1.69 0.19 0.00 -0.15 0.00 0.00 55.06 56.79 2kjs s HIS 86 Cb 0.00 -3.22 1.11 0.00 1.11 0.00 0.00 32.58 31.58 2kjs s HIS 86 CO 0.00 -0.53 1.50 1.58 -0.85 0.00 0.00 174.74 176.45