#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 3.65 -0.05 2.12 0.04 -1.26 -4.91 135.00 134.59 2kjs s PRO 2 Ca 0.00 0.31 -0.05 0.00 0.04 0.00 0.00 61.00 61.29 2kjs s PRO 2 Cb 0.00 -3.88 -0.02 0.00 0.04 0.00 0.00 34.50 30.65 2kjs s PRO 2 CO 0.00 -1.10 -0.10 0.25 0.04 0.00 0.00 177.00 176.09 2kjs n THR 3 N 6.22 0.44 -0.23 1.26 -2.24 -1.26 -3.91 114.28 114.56 2kjs n THR 3 Ca 0.06 0.38 -0.07 0.00 -2.27 0.00 0.00 64.05 62.15 2kjs n THR 3 Cb 0.48 -1.72 0.04 0.00 -2.10 0.00 0.00 70.33 67.03 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 -0.28 0.88 -1.25 3.22 4.07 -1.92 0.70 115.31 120.73 2kjs h LEU 4 Ca 0.00 -0.17 -0.06 0.00 0.08 0.00 0.00 57.88 57.73 2kjs h LEU 4 Cb 0.28 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 2kjs h LEU 4 CO 0.00 0.81 -0.10 -0.78 -1.08 0.00 0.00 178.44 177.29 2kjs h ASP 5 N 0.90 0.37 0.60 -0.43 3.58 -1.97 0.53 116.42 120.00 2kjs h ASP 5 Ca 0.21 -0.08 -0.28 0.00 0.42 0.00 0.00 57.03 57.30 2kjs h ASP 5 Cb 0.20 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2kjs h ASP 5 CO -0.02 0.51 -1.41 0.00 -2.88 0.00 0.00 179.24 175.44 2kjs h ALA 6 N 1.53 0.35 -0.00 -0.78 0.00 -1.55 -3.30 119.26 115.51 2kjs h ALA 6 Ca 0.07 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.88 2kjs h ALA 6 Cb 0.41 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2kjs h ALA 6 CO 0.02 1.22 -0.28 1.28 0.00 0.00 0.00 179.25 181.49 2kjs n LEU 7 N -3.38 0.29 0.18 0.00 4.77 0.24 -3.91 117.00 115.19 2kjs n LEU 7 Ca -0.12 0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 2kjs n LEU 7 Cb 1.02 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 41.69 2kjs n LEU 7 CO 0.49 0.07 0.37 0.74 -1.33 0.00 0.00 177.39 177.74 2kjs h THR 8 N 0.02 0.38 -1.00 -5.08 2.02 -0.01 -2.77 112.91 106.47 2kjs h THR 8 Ca 0.00 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.54 2kjs h THR 8 Cb 0.50 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 2kjs h THR 8 CO 0.00 0.08 0.65 1.55 0.37 0.00 0.00 175.52 178.18 2kjs h PRO 9 N -1.00 1.24 0.11 6.66 0.13 -1.70 0.33 132.00 137.77 2kjs h PRO 9 Ca -0.05 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 2kjs h PRO 9 Cb 0.52 -0.28 0.00 0.00 0.13 0.00 0.00 31.00 31.37 2kjs h PRO 9 CO 0.09 0.82 -0.05 0.82 -0.23 0.00 0.00 178.00 179.44 2kjs h ILE 10 N 1.28 0.93 -0.41 -3.56 2.04 -1.68 0.23 117.51 116.35 2kjs h ILE 10 Ca 0.39 -0.14 -0.15 0.00 1.00 0.00 0.00 64.86 65.96 2kjs h ILE 10 Cb -0.03 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2kjs h ILE 10 CO -0.11 0.04 -0.32 -0.26 0.00 0.00 0.00 178.15 177.49 2kjs h PHE 11 N -0.22 1.08 -0.42 1.37 -1.00 -1.25 0.12 116.94 116.62 2kjs h PHE 11 Ca -0.02 -0.30 -0.02 0.00 2.81 0.00 0.00 57.97 60.45 2kjs h PHE 11 Cb 0.17 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 2kjs h PHE 11 CO -0.05 1.11 0.20 -0.09 -1.61 0.00 0.00 178.31 177.87 2kjs h ARG 12 N 0.77 0.61 -0.04 1.51 2.43 -0.19 0.25 114.38 119.72 2kjs h ARG 12 Ca 0.08 -0.09 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 2kjs h ARG 12 Cb 0.90 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.35 2kjs h ARG 12 CO 0.08 0.54 -0.70 0.37 -1.51 0.00 0.00 179.97 178.75 2kjs h GLN 13 N 0.54 0.54 -0.37 0.20 5.75 -0.50 0.27 115.11 121.54 2kjs h GLN 13 Ca 0.14 -0.53 -0.03 0.00 -0.15 0.00 0.00 58.65 58.08 2kjs h GLN 13 Cb 0.13 0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 2kjs h GLN 13 CO -0.02 1.16 0.12 0.28 -2.65 0.00 0.00 178.83 177.73 2kjs h VAL 14 N 0.13 1.21 -0.01 2.39 2.07 -0.69 -2.57 116.25 118.77 2kjs h VAL 14 Ca -0.08 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2kjs h VAL 14 Cb 1.38 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 2kjs h VAL 14 CO 0.14 0.23 -0.09 0.33 0.02 0.00 0.00 177.57 178.20 2kjs n PHE 15 N -4.64 0.00 -3.22 1.57 7.35 0.88 -4.99 117.46 114.41 2kjs n PHE 15 Ca -0.01 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.48 2kjs n PHE 15 Cb 0.17 -0.05 0.02 0.00 0.35 0.00 0.00 39.48 39.97 2kjs n PHE 15 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2kjs n ASP 16 N -0.23 -6.51 -0.77 -2.13 8.00 0.79 -5.00 116.55 110.69 2kjs n ASP 16 Ca 0.17 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.95 2kjs n ASP 16 Cb 0.33 -2.78 0.00 0.00 -0.02 0.00 0.00 41.12 38.65 2kjs n ASP 16 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2kjs n ASP 17 N 0.23 0.00 -2.20 -2.24 5.75 -0.35 -5.02 116.55 112.72 2kjs n ASP 17 Ca -0.02 -0.77 -0.01 0.00 -0.01 0.00 0.00 54.79 53.98 2kjs n ASP 17 Cb 0.53 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.69 2kjs n ASP 17 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2kjs n ASP 18 N -0.93 -0.94 0.00 -1.12 -0.08 -1.26 -4.81 116.55 107.41 2kjs n ASP 18 Ca 0.00 -1.77 0.00 0.00 -1.51 0.00 0.00 54.79 51.51 2kjs n ASP 18 Cb 0.00 0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.90 2kjs n ASP 18 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2kjs n SER 19 N -0.97 0.00 -4.74 1.67 3.41 -1.26 -5.10 113.62 106.63 2kjs n SER 19 Ca -0.12 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.08 2kjs n SER 19 Cb 0.74 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.66 2kjs n SER 19 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2kjs s ILE 20 N -0.55 3.15 -0.01 -1.33 1.01 -1.26 -5.03 121.20 117.18 2kjs s ILE 20 Ca 0.00 0.97 0.05 0.00 0.00 0.00 0.00 60.65 61.67 2kjs s ILE 20 Cb 0.00 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 2kjs s ILE 20 CO 0.00 0.16 -0.15 0.54 0.00 0.00 0.00 174.94 175.49 2kjs s VAL 21 N -0.06 1.16 -0.04 2.92 0.11 -1.26 -4.95 120.40 118.28 2kjs s VAL 21 Ca 0.56 -0.63 -0.16 0.00 -2.93 0.00 0.00 61.98 58.81 2kjs s VAL 21 Cb -0.37 -0.97 -0.05 0.00 -1.53 0.00 0.00 36.38 33.46 2kjs s VAL 21 CO 0.40 0.33 0.43 -0.76 -3.33 0.00 0.00 175.10 172.17 2kjs s LEU 22 N -0.36 4.41 0.20 2.54 1.43 -1.26 -5.03 118.68 120.62 2kjs s LEU 22 Ca 0.06 0.92 -0.02 0.00 -1.03 0.00 0.00 54.13 54.05 2kjs s LEU 22 Cb -0.06 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 2kjs s LEU 22 CO -0.01 0.22 0.16 0.42 0.23 0.00 0.00 176.35 177.37 2kjs s THR 23 N -0.50 0.00 0.25 5.49 -4.23 -1.26 -4.95 115.64 110.44 2kjs s THR 23 Ca 0.24 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 58.76 2kjs s THR 23 Cb -0.16 -2.47 0.15 0.00 1.34 0.00 0.00 72.50 71.35 2kjs s THR 23 CO 0.12 0.00 1.79 0.03 -0.54 0.00 0.00 174.62 176.03 2kjs h ARG 24 N 2.59 0.97 0.00 3.99 3.08 -1.98 -1.34 114.38 121.70 2kjs h ARG 24 Ca -0.35 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.50 2kjs h ARG 24 Cb 1.25 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2kjs h ARG 24 CO 0.51 0.85 0.00 0.39 -1.07 0.00 0.00 179.97 180.65 2kjs n GLU 25 N -4.26 0.31 -1.95 0.04 -0.58 -1.26 -4.06 120.64 108.88 2kjs n GLU 25 Ca 0.05 0.06 -0.41 0.00 -0.42 0.00 0.00 57.16 56.43 2kjs n GLU 25 Cb 0.23 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.58 2kjs n GLU 25 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2kjs s THR 26 N -2.62 2.47 0.10 2.62 2.01 -0.51 -5.01 115.64 114.71 2kjs s THR 26 Ca 0.22 0.41 0.05 0.00 0.31 0.00 0.00 61.69 62.68 2kjs s THR 26 Cb 0.16 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 2kjs s THR 26 CO 0.38 0.07 -0.13 -0.55 -0.69 0.00 0.00 174.62 173.71 2kjs s SER 27 N 0.25 1.69 0.27 3.53 0.15 -1.26 -3.01 113.70 115.32 2kjs s SER 27 Ca 0.58 -0.74 -0.03 0.00 0.70 0.00 0.00 55.95 56.46 2kjs s SER 27 Cb -0.43 -0.03 0.40 0.00 -1.71 0.00 0.00 66.02 64.24 2kjs s SER 27 CO 0.47 -0.16 1.92 0.00 1.20 0.00 0.00 173.24 176.67 2kjs h ALA 28 N 3.79 1.39 -1.12 5.45 0.00 -1.95 -2.99 119.26 123.83 2kjs h ALA 28 Ca -0.39 -0.04 -0.78 0.00 0.00 0.00 0.00 54.91 53.70 2kjs h ALA 28 Cb 1.19 -0.33 -0.20 0.00 0.00 0.00 0.00 17.79 18.45 2kjs h ALA 28 CO 0.48 0.51 1.65 -1.71 0.00 0.00 0.00 179.25 180.18 2kjs n ASN 29 N -4.45 6.79 0.00 0.00 2.85 -1.26 -4.18 115.26 115.01 2kjs n ASN 29 Ca 0.13 -3.32 0.00 0.00 -0.11 0.00 0.00 54.58 51.28 2kjs n ASN 29 Cb 0.11 -1.33 0.00 0.00 1.24 0.00 0.00 39.78 39.80 2kjs n ASN 29 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2kjs n ASP 30 N 1.77 0.00 -0.74 1.20 -0.08 -1.13 -4.85 116.55 112.72 2kjs n ASP 30 Ca 0.45 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.85 2kjs n ASP 30 Cb 0.30 0.01 0.09 0.00 2.34 0.00 0.00 41.12 43.86 2kjs n ASP 30 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2kjs n ILE 31 N -1.80 0.00 -0.60 5.18 5.41 -1.26 -4.92 119.36 121.36 2kjs n ILE 31 Ca 0.00 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.37 2kjs n ILE 31 Cb 0.00 1.32 0.00 0.00 -0.71 0.00 0.00 39.64 40.25 2kjs n ILE 31 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2kjs n ASP 32 N 0.70 -2.45 -0.42 4.38 8.00 -1.26 -4.66 116.55 120.84 2kjs n ASP 32 Ca 0.12 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.74 2kjs n ASP 32 Cb 0.53 -2.44 0.13 0.00 -0.02 0.00 0.00 41.12 39.32 2kjs n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kjs n ALA 33 N 0.89 3.37 -2.78 2.24 0.00 -1.26 -4.66 120.51 118.32 2kjs n ALA 33 Ca 0.00 -0.57 -0.44 0.00 0.00 0.00 0.00 53.44 52.44 2kjs n ALA 33 Cb 0.20 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.20 4.29 -2.58 0.00 -0.00 -1.26 -4.95 117.44 112.75 2kjs n TRP 34 Ca 0.10 -3.19 -0.30 0.00 -0.00 0.00 0.00 57.50 54.12 2kjs n TRP 34 Cb 0.43 -2.07 -0.02 0.00 -0.00 0.00 0.00 31.31 29.66 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 2.02 6.42 0.16 5.87 2.15 -1.26 -4.91 116.67 127.13 2kjs s ASP 35 Ca 0.41 1.19 -0.15 0.00 0.43 0.00 0.00 52.55 54.43 2kjs s ASP 35 Cb 0.01 -2.35 0.05 0.00 -0.30 0.00 0.00 42.92 40.32 2kjs s ASP 35 CO 0.00 -0.55 1.81 0.28 -0.17 0.00 0.00 175.17 176.55 2kjs h SER 36 N 0.70 0.58 -0.58 -0.34 0.02 -1.99 -0.04 113.55 111.90 2kjs h SER 36 Ca -0.47 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.37 2kjs h SER 36 Cb 1.19 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 2kjs h SER 36 CO 0.63 0.44 0.07 -0.07 -1.14 0.00 0.00 176.83 176.76 2kjs h LEU 37 N 0.66 0.94 -0.84 5.07 3.38 -2.00 -1.81 115.31 120.70 2kjs h LEU 37 Ca 0.18 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2kjs h LEU 37 Cb -0.04 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.46 2kjs h LEU 37 CO -0.04 0.98 0.00 0.77 0.09 0.00 0.00 178.44 180.24 2kjs h SER 38 N 0.87 0.00 0.97 -0.43 4.64 -1.83 -2.21 113.55 115.56 2kjs h SER 38 Ca 0.17 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.28 2kjs h SER 38 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 2kjs h SER 38 CO 0.02 0.00 -1.05 -0.74 -0.87 0.00 0.00 176.83 174.19 2kjs h HIS 39 N 0.00 0.00 -0.52 4.77 6.17 -0.14 -3.21 115.15 122.22 2kjs h HIS 39 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 60.37 61.04 2kjs h HIS 39 Cb 0.34 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.25 2kjs h HIS 39 CO 0.00 0.96 0.17 0.52 0.71 0.00 0.00 177.93 180.29 2kjs h MET 40 N 0.00 0.81 -0.66 5.26 2.07 -1.14 -1.65 114.93 119.62 2kjs h MET 40 Ca -0.04 -0.17 -0.09 0.00 -2.07 0.00 0.00 59.70 57.33 2kjs h MET 40 Cb 1.77 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 31.35 2kjs h MET 40 CO 0.12 0.75 0.08 -2.95 1.07 0.00 0.00 176.91 175.97 2kjs h ASN 41 N 0.72 1.07 -0.59 1.22 7.08 -1.65 -1.84 115.58 121.59 2kjs h ASN 41 Ca 0.17 -0.27 -0.02 0.00 -3.08 0.00 0.00 56.30 53.09 2kjs h ASN 41 Cb 0.27 -0.29 -0.03 0.00 -2.08 0.00 0.00 38.32 36.20 2kjs h ASN 41 CO -0.01 1.08 0.28 -0.07 -2.08 0.00 0.00 177.43 176.63 2kjs h LEU 42 N 1.03 0.77 -0.45 6.14 3.38 -1.50 0.50 115.31 125.18 2kjs h LEU 42 Ca 0.20 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2kjs h LEU 42 Cb 0.48 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2kjs h LEU 42 CO 0.02 0.69 0.14 0.40 0.09 0.00 0.00 178.44 179.78 2kjs h ILE 43 N 0.80 1.22 -0.34 1.22 2.04 -1.12 -0.73 117.51 120.61 2kjs h ILE 43 Ca 0.20 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 2kjs h ILE 43 Cb 0.13 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2kjs h ILE 43 CO -0.02 0.26 0.10 0.58 0.00 0.00 0.00 178.15 179.07 2kjs h VAL 44 N 0.58 1.21 -0.46 1.67 2.07 -1.08 -0.49 116.25 119.75 2kjs h VAL 44 Ca 0.14 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2kjs h VAL 44 Cb 0.26 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2kjs h VAL 44 CO -0.00 0.23 0.27 -1.28 0.02 0.00 0.00 177.57 176.81 2kjs h SER 45 N 0.39 0.55 -0.62 0.57 0.87 -0.77 0.11 113.55 114.66 2kjs h SER 45 Ca 0.11 -0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 2kjs h SER 45 Cb 0.26 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 2kjs h SER 45 CO -0.00 0.45 0.19 -0.07 -0.53 0.00 0.00 176.83 176.88 2kjs h LEU 46 N 0.60 0.90 -0.00 2.23 3.38 -1.01 0.49 115.31 121.90 2kjs h LEU 46 Ca 0.16 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2kjs h LEU 46 Cb 0.01 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2kjs h LEU 46 CO -0.03 0.87 0.00 -0.08 0.09 0.00 0.00 178.44 179.29 2kjs h GLU 47 N 0.89 0.00 -0.38 1.13 4.81 -0.77 -0.99 114.58 119.26 2kjs h GLU 47 Ca 0.20 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 2kjs h GLU 47 Cb 0.29 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2kjs h GLU 47 CO -0.01 0.30 -0.06 0.28 -0.73 0.00 0.00 179.01 178.80 2kjs h VAL 48 N -0.30 1.27 -0.25 0.32 2.07 -0.72 1.46 116.25 120.09 2kjs h VAL 48 Ca 0.00 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.41 2kjs h VAL 48 Cb 0.30 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2kjs h VAL 48 CO 0.00 0.37 0.16 -0.74 0.02 0.00 0.00 177.57 177.38 2kjs h HIS 49 N 0.52 0.32 -0.00 1.57 -0.00 -0.03 -2.61 115.15 114.93 2kjs h HIS 49 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 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 0.23 -0.45 0.66 -0.00 0.00 0.00 177.93 178.41 2kjs n TYR 50 N -4.90 0.00 -3.46 5.26 4.02 -0.38 -4.98 117.16 112.73 2kjs n TYR 50 Ca -0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.67 2kjs n TYR 50 Cb 0.04 -0.25 0.03 0.00 -0.02 0.00 0.00 39.34 39.14 2kjs n TYR 50 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2kjs n LYS 51 N -1.41 -1.47 -1.25 -0.72 4.76 0.49 -5.01 118.16 113.55 2kjs n LYS 51 Ca 0.06 0.85 0.00 0.00 -2.87 0.00 0.00 58.31 56.35 2kjs n LYS 51 Cb 0.34 -4.58 0.00 0.00 -1.84 0.00 0.00 35.03 28.94 2kjs n LYS 51 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 2kjs n ILE 52 N -3.15 0.00 -4.08 -0.18 -5.35 -0.59 -5.02 119.36 101.00 2kjs n ILE 52 Ca -0.10 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.20 2kjs n ILE 52 Cb 0.59 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 38.32 2kjs n ILE 52 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2kjs s LYS 53 N -0.88 0.62 -0.05 6.28 2.20 -1.26 -4.83 119.74 121.81 2kjs s LYS 53 Ca 0.00 -0.04 -0.03 0.00 -0.36 0.00 0.00 55.97 55.54 2kjs s LYS 53 Cb 0.00 -0.69 -0.04 0.00 -1.51 0.00 0.00 37.83 35.59 2kjs s LYS 53 CO 0.00 -0.10 0.12 -0.06 -0.36 0.00 0.00 175.35 174.95 2kjs s PHE 54 N 0.94 3.45 0.03 4.03 0.08 -1.26 -5.11 117.98 120.14 2kjs s PHE 54 Ca -0.11 0.35 0.00 0.00 0.12 0.00 0.00 56.93 57.30 2kjs s PHE 54 Cb -0.14 -1.83 -0.04 0.00 -0.57 0.00 0.00 43.02 40.44 2kjs s PHE 54 CO -0.01 0.63 0.13 0.00 -0.10 0.00 0.00 175.22 175.87 2kjs s ALA 55 N -1.14 3.74 0.20 5.36 0.00 -1.26 -5.02 121.76 123.64 2kjs s ALA 55 Ca 0.20 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 51.18 2kjs s ALA 55 Cb -0.12 -1.64 0.13 0.00 0.00 0.00 0.00 23.12 21.49 2kjs s ALA 55 CO 0.11 0.75 1.80 1.25 0.00 0.00 0.00 175.76 179.67 2kjs h LEU 56 N 3.60 0.91 -0.81 0.00 6.46 -1.99 -1.24 115.31 122.24 2kjs h LEU 56 Ca -0.47 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.16 2kjs h LEU 56 Cb 1.17 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.83 2kjs h LEU 56 CO 0.67 0.76 0.44 1.23 -0.62 0.00 0.00 178.44 180.93 2kjs h GLY 57 N 0.99 1.21 1.07 3.75 0.00 -1.98 -1.06 103.07 107.05 2kjs h GLY 57 Ca 0.25 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 2kjs h GLY 57 CO -0.04 0.53 0.02 0.83 0.00 0.00 0.00 176.54 177.88 2kjs h GLU 58 N 1.12 1.06 -0.74 4.80 5.08 -1.88 -1.83 114.58 122.20 2kjs h GLU 58 Ca 0.28 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2kjs h GLU 58 Cb 0.03 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2kjs h GLU 58 CO -0.05 1.03 0.30 -0.07 -1.00 0.00 0.00 179.01 179.22 2kjs h LEU 59 N 0.96 1.01 -0.15 1.33 3.38 -0.80 -1.23 115.31 119.81 2kjs h LEU 59 Ca 0.18 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kjs h LEU 59 Cb 0.53 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2kjs h LEU 59 CO 0.03 0.90 0.00 0.00 0.09 0.00 0.00 178.44 179.46 2kjs n GLN 60 N -4.34 0.08 0.00 1.13 1.13 -0.44 -2.23 117.38 112.71 2kjs n GLN 60 Ca 0.06 0.22 0.13 0.00 -1.94 0.00 0.00 57.00 55.47 2kjs n GLN 60 Cb 0.17 -1.63 0.41 0.00 0.11 0.00 0.00 30.24 29.31 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 -1.77 0.20 -2.59 -1.09 3.00 -0.48 -4.87 118.16 110.55 2kjs n LYS 61 Ca 0.04 -0.09 -0.37 0.00 -0.00 0.00 0.00 58.31 57.90 2kjs n LYS 61 Cb 0.27 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 33.75 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 -2.87 4.21 0.00 3.14 1.43 -0.94 -4.94 118.68 118.72 2kjs s LEU 62 Ca 0.16 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 2kjs s LEU 62 Cb 0.18 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.30 2kjs s LEU 62 CO 0.60 -0.37 0.00 1.17 0.23 0.00 0.00 176.35 177.98 2kjs n LYS 63 N 0.16 1.84 -3.98 1.70 3.00 -1.26 -5.07 118.16 114.54 2kjs n LYS 63 Ca 0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.22 2kjs n LYS 63 Cb 0.49 -0.60 -0.01 0.00 0.00 0.00 0.00 35.03 34.91 2kjs n LYS 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2kjs s ASN 64 N -1.15 0.65 0.15 3.14 2.20 -1.26 -4.84 114.94 113.83 2kjs s ASN 64 Ca 0.00 -1.40 -0.14 0.00 -0.94 0.00 0.00 52.86 50.38 2kjs s ASN 64 Cb 0.00 0.75 0.03 0.00 -2.00 0.00 0.00 41.25 40.03 2kjs s ASN 64 CO 0.00 -1.47 1.70 0.58 -2.94 0.00 0.00 177.10 174.96 2kjs h VAL 65 N 2.05 1.21 -0.86 3.54 2.07 -1.81 -2.52 116.25 119.93 2kjs h VAL 65 Ca -0.30 -0.68 0.09 0.00 0.82 0.00 0.00 66.70 66.64 2kjs h VAL 65 Cb 1.24 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.69 2kjs h VAL 65 CO 0.40 0.25 0.51 1.23 0.02 0.00 0.00 177.57 179.98 2kjs h GLY 66 N 0.65 1.35 1.03 2.17 0.00 -1.78 -0.65 103.07 105.83 2kjs h GLY 66 Ca 0.16 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 2kjs h GLY 66 CO -0.01 0.16 0.35 -0.55 0.00 0.00 0.00 176.54 176.48 2kjs h ASP 67 N 0.86 1.06 -0.68 0.19 3.32 -1.85 -2.33 116.42 116.99 2kjs h ASP 67 Ca 0.41 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 2kjs h ASP 67 Cb 0.35 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2kjs h ASP 67 CO -0.24 0.92 0.32 0.25 -1.72 0.00 0.00 179.24 178.77 2kjs h LEU 68 N 1.12 0.90 -0.83 1.55 6.46 -0.76 -2.06 115.31 121.70 2kjs h LEU 68 Ca 0.27 -0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.90 2kjs h LEU 68 Cb 0.17 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 39.82 2kjs h LEU 68 CO -0.03 0.79 0.55 0.00 -0.62 0.00 0.00 178.44 179.12 2kjs h ALA 69 N 1.15 1.06 -0.30 1.25 0.00 -0.82 -1.43 119.26 120.17 2kjs h ALA 69 Ca 0.23 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2kjs h ALA 69 Cb 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2kjs h ALA 69 CO -0.03 0.43 -0.03 0.22 0.00 0.00 0.00 179.25 179.85 2kjs h ASP 70 N 1.10 0.44 -0.59 0.00 1.82 -1.04 -2.57 116.42 115.58 2kjs h ASP 70 Ca 0.31 -0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.86 2kjs h ASP 70 Cb -0.10 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 39.77 2kjs h ASP 70 CO -0.08 0.53 0.32 0.25 -1.61 0.00 0.00 179.24 178.65 2kjs h LEU 71 N 0.45 0.73 -0.72 2.28 7.12 -0.57 -1.84 115.31 122.77 2kjs h LEU 71 Ca 0.10 -0.10 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 2kjs h LEU 71 Cb 0.34 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.25 2kjs h LEU 71 CO 0.01 0.62 0.37 0.58 -0.13 0.00 0.00 178.44 179.89 2kjs h VAL 72 N 0.79 1.23 -0.89 1.05 2.07 -1.11 -2.37 116.25 117.03 2kjs h VAL 72 Ca 0.21 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2kjs h VAL 72 Cb 0.05 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 2kjs h VAL 72 CO -0.03 0.26 0.56 0.44 0.02 0.00 0.00 177.57 178.82 2kjs h ASP 73 N 0.99 1.05 -0.49 0.57 3.32 -1.12 -0.92 116.42 119.82 2kjs h ASP 73 Ca 0.25 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2kjs h ASP 73 Cb 0.08 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2kjs h ASP 73 CO -0.04 0.78 0.31 0.11 -1.72 0.00 0.00 179.24 178.68 2kjs h LYS 74 N 1.22 0.66 -0.38 3.56 1.57 -0.83 0.32 116.57 122.69 2kjs h LYS 74 Ca 0.32 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 2kjs h LYS 74 Cb -0.09 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 2kjs h LYS 74 CO -0.07 0.47 0.08 0.87 -0.57 0.00 0.00 179.45 180.24 2kjs h LYS 75 N 0.66 0.61 -0.54 3.15 6.56 -1.11 0.16 116.57 126.05 2kjs h LYS 75 Ca 0.18 -0.15 -0.04 0.00 -1.06 0.00 0.00 60.65 59.58 2kjs h LYS 75 Cb -0.03 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.53 2kjs h LYS 75 CO -0.03 0.65 0.20 -0.07 -2.06 0.00 0.00 179.45 178.13 2kjs h LEU 76 N 0.47 0.77 -0.71 2.94 3.38 -0.87 -2.13 115.31 119.16 2kjs h LEU 76 Ca 0.12 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 2kjs h LEU 76 Cb 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2kjs h LEU 76 CO 0.00 0.75 -0.25 0.00 0.09 0.00 0.00 178.44 179.03 2kjs h ALA 77 N 1.05 0.89 -0.65 1.53 0.00 -0.22 -2.71 119.26 119.15 2kjs h ALA 77 Ca 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kjs h ALA 77 Cb 0.24 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2kjs h ALA 77 CO -0.01 0.63 0.42 -0.09 0.00 0.00 0.00 179.25 180.19 2kjs h ARG 78 N 0.63 0.86 -0.62 0.00 2.43 -0.37 0.06 114.38 117.36 2kjs h ARG 78 Ca 0.08 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2kjs h ARG 78 Cb 0.75 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 2kjs h ARG 78 CO 0.06 0.58 0.27 0.87 -1.51 0.00 0.00 179.97 180.24 2kjs h LYS 79 N 0.88 0.92 -0.64 0.20 1.57 -1.26 0.38 116.57 118.62 2kjs h LYS 79 Ca 0.24 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2kjs h LYS 79 Cb -0.08 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 2kjs h LYS 79 CO -0.05 0.76 0.22 -0.07 -0.57 0.00 0.00 179.45 179.75 2kjs h LEU 80 N 0.87 0.91 0.00 2.94 3.38 -1.12 -3.37 115.31 118.91 2kjs h LEU 80 Ca 0.21 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kjs h LEU 80 Cb 0.17 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2kjs h LEU 80 CO -0.02 0.86 0.00 -0.62 0.09 0.00 0.00 178.44 178.75 2kjs n GLU 81 N -4.39 0.00 -2.30 1.13 -0.58 -0.04 -4.83 120.64 109.64 2kjs n GLU 81 Ca 0.04 0.07 -0.42 0.00 -0.42 0.00 0.00 57.16 56.43 2kjs n GLU 81 Cb 0.20 -0.57 -0.03 0.00 -0.57 0.00 0.00 31.44 30.46 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 -0.15 3.34 0.04 -0.32 2.46 0.13 -5.02 115.29 115.78 2kjs s HIS 82 Ca 0.00 1.17 -0.01 0.00 0.47 0.00 0.00 55.06 56.69 2kjs s HIS 82 Cb 0.00 -3.54 -0.04 0.00 -0.13 0.00 0.00 32.58 28.87 2kjs s HIS 82 CO 0.00 -1.77 0.20 -1.01 -2.47 0.00 0.00 174.74 169.69 2kjs s HIS 83 N 0.88 3.53 0.13 3.88 3.76 -1.26 -4.17 115.29 122.03 2kjs s HIS 83 Ca 0.60 0.27 -0.19 0.00 -0.15 0.00 0.00 55.06 55.60 2kjs s HIS 83 Cb -0.33 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 2kjs s HIS 83 CO 0.31 0.60 1.79 1.25 -0.85 0.00 0.00 174.74 177.84 2kjs h HIS 84 N 3.24 0.32 -0.54 1.40 2.76 -1.95 -2.69 115.15 117.68 2kjs h HIS 84 Ca -0.46 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 57.60 2kjs h HIS 84 Cb 1.17 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 30.00 2kjs h HIS 84 CO 0.62 0.20 -0.13 1.12 -1.30 0.00 0.00 177.93 178.44 2kjs h HIS 85 N 0.34 1.17 -6.05 5.26 2.07 -2.02 -3.48 115.15 112.44 2kjs h HIS 85 Ca 0.10 -0.25 -0.06 0.00 -2.85 0.00 0.00 60.37 57.30 2kjs h HIS 85 Cb -0.03 -0.29 0.00 0.00 2.57 0.00 0.00 27.41 29.66 2kjs h HIS 85 CO -0.06 1.08 -1.00 1.58 -3.07 0.00 0.00 177.93 176.46 2kjs n HIS 86 N -4.14 -1.55 -0.75 6.12 -0.00 -1.02 -5.29 115.22 108.60 2kjs n HIS 86 Ca 0.01 0.67 0.00 0.00 0.46 0.00 0.00 57.72 58.86 2kjs n HIS 86 Cb 0.42 -2.00 0.00 0.00 -0.12 0.00 0.00 29.99 28.29 2kjs n HIS 86 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38