#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 3.53 -0.03 0.03 0.04 -1.26 -4.90 135.00 132.41 2kjs s PRO 2 Ca 0.00 0.17 -0.03 0.00 0.04 0.00 0.00 61.00 61.18 2kjs s PRO 2 Cb 0.00 -3.95 -0.01 0.00 0.04 0.00 0.00 34.50 30.58 2kjs s PRO 2 CO 0.00 -1.32 -0.06 0.25 0.04 0.00 0.00 177.00 175.91 2kjs n THR 3 N 6.48 0.28 -0.19 1.26 -2.24 -1.26 -3.93 114.28 114.67 2kjs n THR 3 Ca 0.07 0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 62.17 2kjs n THR 3 Cb 0.48 -1.62 0.01 0.00 -2.10 0.00 0.00 70.33 67.11 2kjs n THR 3 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2kjs h LEU 4 N -0.17 0.79 -1.63 3.22 5.85 -1.90 -1.68 115.31 119.79 2kjs h LEU 4 Ca 0.00 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2kjs h LEU 4 Cb 0.17 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2kjs h LEU 4 CO 0.00 0.81 0.00 0.44 -0.34 0.00 0.00 178.44 179.35 2kjs h ASP 5 N 0.74 0.00 1.18 1.25 3.32 -1.96 -2.23 116.42 118.72 2kjs h ASP 5 Ca 0.17 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2kjs h ASP 5 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 2kjs h ASP 5 CO -0.00 0.00 -0.83 0.00 -1.72 0.00 0.00 179.24 176.69 2kjs h ALA 6 N 2.01 0.60 -0.02 3.45 0.00 -1.52 -3.31 119.26 120.47 2kjs h ALA 6 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kjs h ALA 6 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kjs h ALA 6 CO 0.00 0.04 -0.32 1.28 0.00 0.00 0.00 179.25 180.25 2kjs n LEU 7 N -2.77 1.98 -0.04 0.00 4.77 -0.69 -4.32 117.00 115.93 2kjs n LEU 7 Ca 0.00 -0.69 -0.14 0.00 -0.03 0.00 0.00 56.01 55.16 2kjs n LEU 7 Cb 0.56 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 2kjs n LEU 7 CO 0.39 0.36 0.55 0.74 -1.33 0.00 0.00 177.39 178.09 2kjs h THR 8 N 2.61 1.38 -0.50 -5.08 2.02 -1.51 -2.79 112.91 109.05 2kjs h THR 8 Ca 0.00 -1.45 0.07 0.00 0.77 0.00 0.00 66.41 65.80 2kjs h THR 8 Cb 0.74 2.07 -0.06 0.00 -1.74 0.00 0.00 68.15 69.17 2kjs h THR 8 CO 0.00 0.42 0.19 -0.65 0.37 0.00 0.00 175.52 175.84 2kjs h PRO 9 N -0.12 0.36 -0.46 6.66 0.11 -1.77 0.33 132.00 137.12 2kjs h PRO 9 Ca 0.01 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 2kjs h PRO 9 Cb 0.76 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 2kjs h PRO 9 CO 0.04 0.24 0.12 0.82 -0.21 0.00 0.00 178.00 179.01 2kjs h ILE 10 N 0.37 1.23 -0.68 4.15 2.04 -1.80 -2.03 117.51 120.79 2kjs h ILE 10 Ca 0.24 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 2kjs h ILE 10 Cb 0.24 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2kjs h ILE 10 CO -0.24 0.29 0.35 -0.26 0.00 0.00 0.00 178.15 178.29 2kjs h PHE 11 N 0.61 0.95 -0.70 1.37 -1.00 -1.14 -0.83 116.94 116.20 2kjs h PHE 11 Ca 0.14 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.89 2kjs h PHE 11 Cb 0.31 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 2kjs h PHE 11 CO 0.02 0.70 0.44 0.00 -1.61 0.00 0.00 178.31 177.85 2kjs h ARG 12 N 0.93 0.93 -0.17 1.51 3.08 -0.73 0.55 114.38 120.49 2kjs h ARG 12 Ca 0.24 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 2kjs h ARG 12 Cb 0.08 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2kjs h ARG 12 CO -0.03 0.65 0.02 1.96 -1.07 0.00 0.00 179.97 181.49 2kjs h GLN 13 N 0.95 0.28 -0.38 0.04 4.20 -1.01 -2.44 115.11 116.75 2kjs h GLN 13 Ca 0.25 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 2kjs h GLN 13 Cb -0.06 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2kjs h GLN 13 CO -0.05 0.47 0.04 0.28 -0.67 0.00 0.00 178.83 178.89 2kjs h VAL 14 N 0.06 1.25 -0.14 -0.54 2.07 -0.92 -2.88 116.25 115.14 2kjs h VAL 14 Ca 0.05 -0.91 -0.09 0.00 0.82 0.00 0.00 66.70 66.56 2kjs h VAL 14 Cb 0.33 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2kjs h VAL 14 CO 0.00 0.31 0.12 0.33 0.02 0.00 0.00 177.57 178.35 2kjs n PHE 15 N -4.51 0.46 0.00 1.57 7.35 0.19 -4.88 117.46 117.64 2kjs n PHE 15 Ca -0.01 -1.24 0.00 0.00 -0.76 0.00 0.00 57.45 55.44 2kjs n PHE 15 Cb 0.25 -0.61 0.00 0.00 0.35 0.00 0.00 39.48 39.47 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 1.08 0.00 0.00 -2.13 2.03 -1.09 -3.54 116.55 112.91 2kjs n ASP 16 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2kjs n ASP 16 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2kjs n ASP 16 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2kjs n ASP 17 N 1.94 0.00 -4.19 1.67 5.68 -0.93 -4.48 116.55 116.25 2kjs n ASP 17 Ca 0.00 0.00 -0.44 0.00 -0.50 0.00 0.00 54.79 53.85 2kjs n ASP 17 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 2kjs n ASP 17 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2kjs n ASP 18 N 0.00 -1.66 -4.39 -1.12 -0.08 -1.23 -4.35 116.55 103.72 2kjs n ASP 18 Ca 0.00 0.99 -0.16 0.00 -1.51 0.00 0.00 54.79 54.12 2kjs n ASP 18 Cb 0.00 -0.89 -0.16 0.00 2.34 0.00 0.00 41.12 42.41 2kjs n ASP 18 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2kjs n SER 19 N 2.01 -1.14 -4.66 1.67 7.64 -1.26 -4.83 113.62 113.05 2kjs n SER 19 Ca 0.15 -0.93 -0.35 0.00 1.01 0.00 0.00 58.87 58.76 2kjs n SER 19 Cb 0.28 -0.72 -0.09 0.00 -1.01 0.00 0.00 64.21 62.67 2kjs n SER 19 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2kjs s ILE 20 N 2.30 4.81 -0.09 0.44 2.07 -1.26 -5.10 121.20 124.37 2kjs s ILE 20 Ca 0.95 -0.03 0.04 0.00 -1.41 0.00 0.00 60.65 60.21 2kjs s ILE 20 Cb -0.55 -3.15 -0.00 0.00 0.13 0.00 0.00 42.46 38.90 2kjs s ILE 20 CO 0.37 0.49 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.96 2kjs s VAL 21 N 0.11 2.05 -0.03 4.00 1.01 -1.26 -5.02 120.40 121.26 2kjs s VAL 21 Ca 0.05 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.04 2kjs s VAL 21 Cb -0.12 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2kjs s VAL 21 CO 0.01 0.56 -0.11 -0.76 0.00 0.00 0.00 175.10 174.79 2kjs s LEU 22 N 0.22 2.92 0.23 3.92 1.43 -1.26 -5.09 118.68 121.06 2kjs s LEU 22 Ca -0.15 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2kjs s LEU 22 Cb -0.17 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2kjs s LEU 22 CO 0.08 0.32 0.12 0.42 0.23 0.00 0.00 176.35 177.52 2kjs s THR 23 N -0.84 0.23 0.29 5.49 -4.23 -1.26 -5.02 115.64 110.30 2kjs s THR 23 Ca 0.14 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.64 2kjs s THR 23 Cb -0.11 -2.55 0.18 0.00 1.34 0.00 0.00 72.50 71.36 2kjs s THR 23 CO 0.03 0.00 1.86 0.03 -0.54 0.00 0.00 174.62 176.00 2kjs h ARG 24 N 2.49 0.83 0.00 3.99 3.08 -2.00 -1.13 114.38 121.65 2kjs h ARG 24 Ca -0.36 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2kjs h ARG 24 Cb 1.25 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2kjs h ARG 24 CO 0.55 0.71 0.00 0.39 -1.07 0.00 0.00 179.97 180.56 2kjs n GLU 25 N -4.31 0.47 -1.91 0.04 4.71 -1.26 -4.31 120.64 114.07 2kjs n GLU 25 Ca 0.04 0.03 -0.41 0.00 -0.01 0.00 0.00 57.16 56.82 2kjs n GLU 25 Cb 0.19 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.11 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 -2.45 2.30 0.19 2.62 2.01 -0.43 -4.98 115.64 114.90 2kjs s THR 26 Ca 0.28 0.29 -0.12 0.00 0.31 0.00 0.00 61.69 62.44 2kjs s THR 26 Cb 0.18 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.50 2kjs s THR 26 CO 0.38 0.06 0.40 -0.94 -0.69 0.00 0.00 174.62 173.83 2kjs s SER 27 N -0.13 -0.07 0.33 3.53 1.04 -1.26 -4.20 113.70 112.94 2kjs s SER 27 Ca 0.53 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 56.18 2kjs s SER 27 Cb -0.44 0.51 0.56 0.00 0.10 0.00 0.00 66.02 66.75 2kjs s SER 27 CO 0.57 -1.00 1.99 0.00 0.98 0.00 0.00 173.24 175.78 2kjs h ALA 28 N 2.37 1.50 -0.72 5.32 0.00 -1.89 -1.80 119.26 124.04 2kjs h ALA 28 Ca -0.29 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2kjs h ALA 28 Cb 1.24 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2kjs h ALA 28 CO 0.42 0.47 0.21 -0.97 0.00 0.00 0.00 179.25 179.37 2kjs h ASN 29 N 0.96 1.05 -0.72 0.00 -0.73 -1.98 -2.83 115.58 111.32 2kjs h ASN 29 Ca 0.26 -0.21 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 2kjs h ASN 29 Cb -0.10 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.18 2kjs h ASN 29 CO -0.06 0.99 0.39 0.44 -0.37 0.00 0.00 177.43 178.82 2kjs h ASP 30 N 1.07 0.92 -3.51 1.15 3.32 -1.72 -3.39 116.42 114.26 2kjs h ASP 30 Ca 0.23 -0.11 -0.66 0.00 0.02 0.00 0.00 57.03 56.51 2kjs h ASP 30 Cb 0.32 -0.23 -0.27 0.00 0.22 0.00 0.00 39.33 39.37 2kjs h ASP 30 CO -0.00 0.76 -0.68 -0.51 -1.72 0.00 0.00 179.24 177.09 2kjs s ILE 31 N -5.81 3.67 0.23 0.35 2.07 -0.98 -4.97 121.20 115.76 2kjs s ILE 31 Ca -0.13 -0.51 0.03 0.00 -1.41 0.00 0.00 60.65 58.63 2kjs s ILE 31 Cb 0.15 -2.75 -0.03 0.00 0.13 0.00 0.00 42.46 39.95 2kjs s ILE 31 CO 0.80 0.31 1.57 -2.24 -1.91 0.00 0.00 174.94 173.47 2kjs h ASP 32 N 8.16 0.36 -0.03 4.50 2.03 -1.78 -3.38 116.42 126.28 2kjs h ASP 32 Ca -0.38 -0.19 -0.50 0.00 -0.73 0.00 0.00 57.03 55.24 2kjs h ASP 32 Cb 1.15 -0.10 0.10 0.00 -0.83 0.00 0.00 39.33 39.65 2kjs h ASP 32 CO 0.60 0.84 1.28 0.00 -1.03 0.00 0.00 179.24 180.93 2kjs n ALA 33 N -2.48 1.15 -3.06 4.15 0.00 -1.26 -4.54 120.51 114.47 2kjs n ALA 33 Ca -0.02 -2.73 -0.14 0.00 0.00 0.00 0.00 53.44 50.55 2kjs n ALA 33 Cb 0.59 -3.66 -0.04 0.00 0.00 0.00 0.00 19.45 16.34 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 8.54 -0.44 0.48 0.00 -0.11 -1.26 -5.12 118.94 121.04 2kjs s TRP 34 Ca 0.69 -1.30 -0.15 0.00 1.22 0.00 0.00 56.10 56.57 2kjs s TRP 34 Cb 0.11 -0.23 -0.07 0.00 -1.50 0.00 0.00 33.47 31.78 2kjs s TRP 34 CO 0.28 -1.08 0.92 0.34 -4.62 0.00 0.00 176.95 172.80 2kjs s ASP 35 N 0.58 6.59 0.22 5.86 2.15 -1.26 -4.94 116.67 125.87 2kjs s ASP 35 Ca 0.30 1.44 -0.08 0.00 0.43 0.00 0.00 52.55 54.64 2kjs s ASP 35 Cb 0.01 -2.45 0.17 0.00 -0.30 0.00 0.00 42.92 40.34 2kjs s ASP 35 CO -0.11 -0.53 1.83 0.28 -0.17 0.00 0.00 175.17 176.47 2kjs h SER 36 N 1.02 1.02 -0.64 -0.34 0.02 -1.99 -0.63 113.55 112.01 2kjs h SER 36 Ca -0.47 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.36 2kjs h SER 36 Cb 1.19 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.43 2kjs h SER 36 CO 0.62 0.84 0.33 -0.07 -1.14 0.00 0.00 176.83 177.41 2kjs h LEU 37 N 1.13 0.82 -1.05 5.07 3.38 -2.01 -2.16 115.31 120.49 2kjs h LEU 37 Ca 0.28 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 2kjs h LEU 37 Cb 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2kjs h LEU 37 CO -0.04 0.70 -0.34 0.77 0.09 0.00 0.00 178.44 179.62 2kjs h SER 38 N 0.88 0.25 -0.58 -0.43 4.64 -1.86 -2.92 113.55 113.53 2kjs h SER 38 Ca 0.22 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2kjs h SER 38 Cb 0.08 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 2kjs h SER 38 CO -0.03 0.58 0.34 -0.74 -0.87 0.00 0.00 176.83 176.11 2kjs h HIS 39 N 0.22 0.78 -0.68 4.77 -0.00 -0.50 -0.42 115.15 119.32 2kjs h HIS 39 Ca 0.03 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2kjs h HIS 39 Cb 0.70 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.83 2kjs h HIS 39 CO 0.01 0.55 0.42 1.98 -0.00 0.00 0.00 177.93 180.89 2kjs h MET 40 N 0.79 0.92 -0.71 5.26 -1.53 -1.27 -1.69 114.93 116.70 2kjs h MET 40 Ca 0.21 -0.08 -0.05 0.00 -3.44 0.00 0.00 59.70 56.33 2kjs h MET 40 Cb 0.00 -0.20 -0.03 0.00 -0.55 0.00 0.00 31.60 30.83 2kjs h MET 40 CO -0.04 0.65 0.23 -0.97 0.14 0.00 0.00 176.91 176.92 2kjs h ASN 41 N 0.93 1.01 -0.57 1.39 -0.73 -1.32 -2.37 115.58 113.92 2kjs h ASN 41 Ca 0.25 -0.18 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 2kjs h ASN 41 Cb -0.04 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.26 2kjs h ASN 41 CO -0.05 0.93 0.33 0.25 -0.37 0.00 0.00 177.43 178.52 2kjs h LEU 42 N 1.04 0.70 -0.63 0.34 7.12 -0.46 -1.72 115.31 121.70 2kjs h LEU 42 Ca 0.23 -0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.15 2kjs h LEU 42 Cb 0.28 -0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.20 2kjs h LEU 42 CO -0.01 0.57 0.35 0.40 -0.13 0.00 0.00 178.44 179.63 2kjs h ILE 43 N 0.77 1.20 -0.84 4.05 2.04 -1.04 -2.55 117.51 121.14 2kjs h ILE 43 Ca 0.20 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2kjs h ILE 43 Cb 0.02 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 2kjs h ILE 43 CO -0.04 0.21 0.47 0.58 0.00 0.00 0.00 178.15 179.38 2kjs h VAL 44 N 0.86 1.24 -0.63 1.67 2.07 -1.09 -2.62 116.25 117.75 2kjs h VAL 44 Ca 0.22 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.23 2kjs h VAL 44 Cb 0.03 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 29.84 2kjs h VAL 44 CO -0.04 0.27 0.31 0.28 0.02 0.00 0.00 177.57 178.41 2kjs h SER 45 N 1.16 0.41 -0.77 0.57 0.02 -0.90 -1.54 113.55 112.50 2kjs h SER 45 Ca 0.30 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.26 2kjs h SER 45 Cb 0.01 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2kjs h SER 45 CO -0.05 0.26 0.35 -0.07 -1.14 0.00 0.00 176.83 176.18 2kjs h LEU 46 N 0.56 1.02 0.29 5.07 4.07 -1.29 0.21 115.31 125.23 2kjs h LEU 46 Ca 0.30 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 2kjs h LEU 46 Cb 0.26 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 2kjs h LEU 46 CO -0.22 0.88 -0.22 -0.33 -1.08 0.00 0.00 178.44 177.47 2kjs h GLU 47 N 1.09 -0.50 0.00 1.13 5.08 -0.96 -2.28 114.58 118.14 2kjs h GLU 47 Ca 0.26 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.57 2kjs h GLU 47 Cb 0.15 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2kjs h GLU 47 CO -0.03 -0.33 -0.38 -0.24 -1.00 0.00 0.00 179.01 177.03 2kjs h VAL 48 N -0.52 1.04 -0.23 3.13 3.04 -1.27 2.01 116.25 123.46 2kjs h VAL 48 Ca -0.02 -1.43 0.02 0.00 -1.01 0.00 0.00 66.70 64.27 2kjs h VAL 48 Cb 0.45 1.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.53 2kjs h VAL 48 CO -0.01 0.38 0.08 -0.74 -1.01 0.00 0.00 177.57 176.26 2kjs h HIS 49 N 0.00 0.14 -0.13 3.17 6.17 -0.09 -3.12 115.15 121.29 2kjs h HIS 49 Ca -0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 2kjs h HIS 49 Cb 0.79 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.69 2kjs h HIS 49 CO 0.00 0.07 0.00 0.66 0.71 0.00 0.00 177.93 179.37 2kjs n TYR 50 N -5.04 0.17 -3.47 5.26 4.01 -0.90 -5.00 117.16 112.18 2kjs n TYR 50 Ca -0.02 -0.35 -0.19 0.00 -0.16 0.00 0.00 57.90 57.19 2kjs n TYR 50 Cb 0.08 -0.03 0.07 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.14 -4.62 -4.33 -0.72 4.81 0.64 -5.01 118.16 109.06 2kjs n LYS 51 Ca 0.05 0.76 -0.17 0.00 -0.87 0.00 0.00 58.31 58.09 2kjs n LYS 51 Cb 0.29 -5.54 -0.10 0.00 0.02 0.00 0.00 35.03 29.69 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 -3.46 0.95 0.06 3.15 -4.36 0.11 -4.98 121.20 112.68 2kjs s ILE 52 Ca 0.16 -2.02 0.09 0.00 -0.26 0.00 0.00 60.65 58.62 2kjs s ILE 52 Cb -0.03 -2.42 -0.03 0.00 1.25 0.00 0.00 42.46 41.23 2kjs s ILE 52 CO 0.76 -0.25 -0.25 -0.54 0.24 0.00 0.00 174.94 174.91 2kjs s LYS 53 N -3.90 1.59 -0.02 0.37 1.02 -1.26 -4.25 119.74 113.29 2kjs s LYS 53 Ca 0.30 -1.10 -0.00 0.00 0.02 0.00 0.00 55.97 55.19 2kjs s LYS 53 Cb 0.06 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.53 2kjs s LYS 53 CO 0.10 0.46 0.04 -0.06 -0.92 0.00 0.00 175.35 174.97 2kjs s PHE 54 N -0.86 3.20 0.19 3.18 0.08 -1.26 -5.11 117.98 117.40 2kjs s PHE 54 Ca 0.11 0.17 -0.05 0.00 0.12 0.00 0.00 56.93 57.28 2kjs s PHE 54 Cb -0.10 -1.73 -0.06 0.00 -0.57 0.00 0.00 43.02 40.57 2kjs s PHE 54 CO 0.03 0.51 0.44 0.00 -0.10 0.00 0.00 175.22 176.10 2kjs s ALA 55 N -1.10 3.72 0.27 5.36 0.00 -1.26 -4.99 121.76 123.75 2kjs s ALA 55 Ca 0.20 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.58 2kjs s ALA 55 Cb -0.12 -2.20 0.34 0.00 0.00 0.00 0.00 23.12 21.14 2kjs s ALA 55 CO 0.10 0.54 1.93 1.25 0.00 0.00 0.00 175.76 179.58 2kjs h LEU 56 N 2.49 1.08 -1.08 0.00 5.85 -2.00 -1.82 115.31 119.84 2kjs h LEU 56 Ca -0.47 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.36 2kjs h LEU 56 Cb 1.17 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.86 2kjs h LEU 56 CO 0.70 0.77 0.62 1.23 -0.34 0.00 0.00 178.44 181.42 2kjs h GLY 57 N 1.27 1.53 0.89 3.75 0.00 -1.98 0.91 103.07 109.43 2kjs h GLY 57 Ca 0.37 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 2kjs h GLY 57 CO -0.10 0.15 0.03 0.83 0.00 0.00 0.00 176.54 177.45 2kjs h GLU 58 N 0.93 0.52 -0.74 4.80 3.07 -1.74 -0.38 114.58 121.05 2kjs h GLU 58 Ca 0.48 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 59.16 2kjs h GLU 58 Cb 0.53 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.35 2kjs h GLU 58 CO -0.25 0.64 0.33 -0.07 -1.40 0.00 0.00 179.01 178.26 2kjs h LEU 59 N 0.33 0.99 -1.31 1.33 -0.00 -1.04 1.25 115.31 116.85 2kjs h LEU 59 Ca 0.09 -0.15 -0.05 0.00 -0.00 0.00 0.00 57.88 57.77 2kjs h LEU 59 Cb 0.38 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 2kjs h LEU 59 CO 0.01 0.86 -0.24 -0.61 -0.00 0.00 0.00 178.44 178.47 2kjs h GLN 60 N 1.04 0.00 0.00 1.13 5.75 -0.71 -2.85 115.11 119.48 2kjs h GLN 60 Ca 0.25 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.62 2kjs h GLN 60 Cb 0.16 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 2kjs h GLN 60 CO -0.03 0.24 -1.60 1.17 -2.65 0.00 0.00 178.83 175.96 2kjs n LYS 61 N -3.53 0.64 -2.73 1.69 4.81 -0.16 -4.89 118.16 113.99 2kjs n LYS 61 Ca -0.01 0.08 -0.41 0.00 -0.87 0.00 0.00 58.31 57.10 2kjs n LYS 61 Cb 0.39 -1.71 -0.04 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 -5.37 4.50 0.00 3.14 1.43 0.42 -4.86 118.68 117.95 2kjs s LEU 62 Ca -0.05 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 2kjs s LEU 62 Cb 0.10 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2kjs s LEU 62 CO 0.83 -0.06 0.00 2.29 0.23 0.00 0.00 176.35 179.64 2kjs n LYS 63 N 2.75 0.00 -4.02 1.70 2.85 -1.26 -4.87 118.16 115.31 2kjs n LYS 63 Ca 0.02 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.98 2kjs n LYS 63 Cb 0.49 -0.36 -0.06 0.00 -0.65 0.00 0.00 35.03 34.45 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 -1.60 5.75 0.15 -5.58 2.47 -1.26 -4.87 114.94 110.00 2kjs s ASN 64 Ca 0.00 0.06 -0.13 0.00 0.42 0.00 0.00 52.86 53.20 2kjs s ASN 64 Cb 0.00 -1.61 0.02 0.00 -1.45 0.00 0.00 41.25 38.21 2kjs s ASN 64 CO 0.00 0.16 1.65 0.58 -3.72 0.00 0.00 177.10 175.77 2kjs h VAL 65 N 2.40 1.24 -0.97 -5.21 2.07 -1.84 -2.76 116.25 111.19 2kjs h VAL 65 Ca -0.46 -0.86 0.09 0.00 0.82 0.00 0.00 66.70 66.28 2kjs h VAL 65 Cb 1.17 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 2kjs h VAL 65 CO 0.68 0.31 0.62 1.23 0.02 0.00 0.00 177.57 180.43 2kjs h GLY 66 N 0.67 1.47 1.01 2.17 0.00 -1.87 -1.08 103.07 105.45 2kjs h GLY 66 Ca 0.15 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2kjs h GLY 66 CO 0.00 0.26 0.37 -0.55 0.00 0.00 0.00 176.54 176.62 2kjs h ASP 67 N 1.05 0.95 -0.73 0.19 3.32 -1.89 -2.35 116.42 116.96 2kjs h ASP 67 Ca 0.44 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.33 2kjs h ASP 67 Cb 0.30 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2kjs h ASP 67 CO -0.19 0.80 0.32 0.25 -1.72 0.00 0.00 179.24 178.70 2kjs h LEU 68 N 1.03 0.99 -0.79 1.55 6.46 -1.02 -2.31 115.31 121.22 2kjs h LEU 68 Ca 0.26 -0.16 0.03 0.00 -0.12 0.00 0.00 57.88 57.89 2kjs h LEU 68 Cb 0.09 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 39.72 2kjs h LEU 68 CO -0.03 0.88 0.51 0.00 -0.62 0.00 0.00 178.44 179.17 2kjs h ALA 69 N 1.16 1.04 -0.68 1.25 0.00 -0.86 -1.61 119.26 119.56 2kjs h ALA 69 Ca 0.25 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2kjs h ALA 69 Cb 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2kjs h ALA 69 CO -0.02 0.33 0.25 -0.44 0.00 0.00 0.00 179.25 179.36 2kjs h ASP 70 N 0.99 0.94 -0.74 0.00 3.32 -1.07 -2.48 116.42 117.37 2kjs h ASP 70 Ca 0.31 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2kjs h ASP 70 Cb 0.00 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 2kjs h ASP 70 CO -0.11 0.85 0.39 0.25 -1.72 0.00 0.00 179.24 178.91 2kjs h LEU 71 N 0.99 0.94 -0.38 1.55 5.85 -0.78 -0.98 115.31 122.50 2kjs h LEU 71 Ca 0.23 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 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 -0.02 0.78 0.24 0.58 -0.34 0.00 0.00 178.44 179.68 2kjs h VAL 72 N 1.03 1.12 -0.68 1.05 2.07 -0.93 -1.31 116.25 118.60 2kjs h VAL 72 Ca 0.26 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2kjs h VAL 72 Cb 0.06 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2kjs h VAL 72 CO -0.04 0.12 0.26 -0.78 0.02 0.00 0.00 177.57 177.16 2kjs h ASP 73 N 0.51 0.93 -0.27 0.57 3.58 -1.14 -1.00 116.42 119.61 2kjs h ASP 73 Ca 0.14 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 2kjs h ASP 73 Cb -0.01 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 2kjs h ASP 73 CO -0.03 0.84 0.12 0.50 -2.88 0.00 0.00 179.24 177.79 2kjs h LYS 74 N 0.99 0.39 -0.54 0.28 3.64 -0.70 -0.02 116.57 120.61 2kjs h LYS 74 Ca 0.23 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2kjs h LYS 74 Cb 0.20 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2kjs h LYS 74 CO -0.02 0.39 0.16 0.87 -2.27 0.00 0.00 179.45 178.58 2kjs h LYS 75 N 0.29 0.84 -0.68 1.90 1.57 -1.01 -2.40 116.57 117.08 2kjs h LYS 75 Ca 0.09 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 2kjs h LYS 75 Cb 0.13 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2kjs h LYS 75 CO -0.01 0.78 0.31 -0.07 -0.57 0.00 0.00 179.45 179.89 2kjs h LEU 76 N 0.74 0.90 -0.97 2.94 3.38 -1.01 -2.43 115.31 118.86 2kjs h LEU 76 Ca 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2kjs h LEU 76 Cb 0.30 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2kjs h LEU 76 CO -0.00 0.79 0.61 0.00 0.09 0.00 0.00 178.44 179.92 2kjs h ALA 77 N 1.14 1.23 -0.42 1.53 0.00 -0.79 -1.93 119.26 120.02 2kjs h ALA 77 Ca 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2kjs h ALA 77 Cb 0.14 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2kjs h ALA 77 CO -0.03 0.66 0.19 -0.09 0.00 0.00 0.00 179.25 179.98 2kjs h ARG 78 N 1.32 0.62 -0.82 0.00 9.65 -1.07 -1.69 114.38 122.40 2kjs h ARG 78 Ca 0.35 -0.10 -0.02 0.00 -1.10 0.00 0.00 59.98 59.11 2kjs h ARG 78 Cb -0.10 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.34 2kjs h ARG 78 CO -0.07 0.56 0.44 -0.22 2.80 0.00 0.00 179.97 183.47 2kjs h LYS 79 N 0.54 1.15 -0.69 0.20 3.64 -1.08 1.32 116.57 121.66 2kjs h LYS 79 Ca 0.14 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 2kjs h LYS 79 Cb 0.15 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 2kjs h LYS 79 CO -0.02 0.86 0.26 -0.07 -2.27 0.00 0.00 179.45 178.21 2kjs h LEU 80 N 1.15 0.98 -5.33 5.20 3.38 -1.11 -3.39 115.31 116.18 2kjs h LEU 80 Ca 0.29 -0.18 -0.29 0.00 0.09 0.00 0.00 57.88 57.78 2kjs h LEU 80 Cb 0.05 -0.25 -0.22 0.00 0.09 0.00 0.00 40.66 40.33 2kjs h LEU 80 CO -0.04 0.90 -0.64 -1.84 0.09 0.00 0.00 178.44 176.90 2kjs n GLU 81 N -4.35 0.58 -2.06 1.13 0.28 -0.66 -5.12 120.64 110.45 2kjs n GLU 81 Ca 0.05 -2.26 -0.41 0.00 -0.16 0.00 0.00 57.16 54.38 2kjs n GLU 81 Cb 0.19 -1.47 -0.02 0.00 1.43 0.00 0.00 31.44 31.57 2kjs n GLU 81 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 2kjs s HIS 82 N 0.45 3.00 -0.22 -1.84 -3.43 0.45 -4.68 115.29 109.02 2kjs s HIS 82 Ca 0.32 1.26 0.00 0.00 -0.80 0.00 0.00 55.06 55.84 2kjs s HIS 82 Cb 0.10 -3.76 0.06 0.00 -1.43 0.00 0.00 32.58 27.55 2kjs s HIS 82 CO -0.14 -2.22 -0.04 -1.58 -2.00 0.00 0.00 174.74 168.75 2kjs s HIS 83 N -0.75 2.10 0.54 0.38 5.04 -1.26 -5.05 115.29 116.29 2kjs s HIS 83 Ca 0.53 -1.52 0.00 0.00 -1.54 0.00 0.00 55.06 52.53 2kjs s HIS 83 Cb -0.41 -1.46 0.00 0.00 0.04 0.00 0.00 32.58 30.75 2kjs s HIS 83 CO 0.50 -0.73 0.00 1.58 -2.34 0.00 0.00 174.74 173.76 2kjs n HIS 84 N 4.76 -3.95 -3.22 3.88 -0.00 -1.26 -4.85 115.22 110.57 2kjs n HIS 84 Ca -0.12 2.14 -0.07 0.00 -0.00 0.00 0.00 57.72 59.67 2kjs n HIS 84 Cb 0.45 -3.30 0.01 0.00 -0.00 0.00 0.00 29.99 27.15 2kjs n HIS 84 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kjs n HIS 85 N -2.50 -0.77 0.00 1.57 -0.00 -1.26 -4.95 115.22 107.32 2kjs n HIS 85 Ca 0.00 0.33 0.00 0.00 -0.00 0.00 0.00 57.72 58.05 2kjs n HIS 85 Cb 0.42 -1.36 0.00 0.00 -0.00 0.00 0.00 29.99 29.06 2kjs n HIS 85 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kjs n HIS 86 N 0.97 0.00 -0.35 1.57 1.44 -1.26 -5.11 115.22 112.48 2kjs n HIS 86 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2kjs n HIS 86 Cb 0.50 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 2kjs n HIS 86 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11