#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjb n THR 10 N 0.00 0.00 0.00 3.41 -1.04 -1.26 -3.86 114.28 111.53 2kjb n THR 10 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2kjb n THR 10 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2kjb n THR 10 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2kjb n ASP 11 N 3.18 0.00 0.27 8.00 2.03 -1.26 -4.88 116.55 123.88 2kjb n ASP 11 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 2kjb n ASP 11 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 2kjb n ASP 11 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2kjb h THR 12 N 0.00 0.19 -0.60 5.18 2.02 -2.02 -2.99 112.91 114.70 2kjb h THR 12 Ca 0.00 -0.46 0.12 0.00 0.77 0.00 0.00 66.41 66.85 2kjb h THR 12 Cb 0.00 0.28 -0.10 0.00 -1.74 0.00 0.00 68.15 66.59 2kjb h THR 12 CO 0.00 0.03 -0.01 0.25 0.37 0.00 0.00 175.52 176.16 2kjb h LEU 13 N -1.10 -0.29 -0.87 2.58 6.46 -1.93 0.56 115.31 120.71 2kjb h LEU 13 Ca -0.07 0.15 0.23 0.00 -0.12 0.00 0.00 57.88 58.07 2kjb h LEU 13 Cb 0.61 0.27 -0.14 0.00 -0.73 0.00 0.00 40.66 40.67 2kjb h LEU 13 CO 0.12 -0.12 0.18 -0.08 -0.62 0.00 0.00 178.44 177.93 2kjb h GLU 14 N 0.10 0.17 -0.21 1.25 4.81 -1.66 0.86 114.58 119.90 2kjb h GLU 14 Ca 0.31 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.59 2kjb h GLU 14 Cb 0.49 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2kjb h GLU 14 CO -0.52 0.11 0.60 -0.09 -0.73 0.00 0.00 179.01 178.38 2kjb h ARG 15 N 0.17 0.00 0.00 1.92 2.43 -0.72 1.77 114.38 119.95 2kjb h ARG 15 Ca 0.54 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.61 2kjb h ARG 15 Cb 1.07 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 2kjb h ARG 15 CO -0.68 0.00 -1.21 0.28 -1.51 0.00 0.00 179.97 176.85 2kjb h VAL 16 N 0.00 0.31 0.00 0.20 2.07 0.68 -3.25 116.25 116.26 2kjb h VAL 16 Ca 0.10 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.02 2kjb h VAL 16 Cb 1.30 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2kjb h VAL 16 CO -0.00 0.18 0.00 0.74 0.02 0.00 0.00 177.57 178.50 2kjb h THR 17 N 0.00 0.00 0.05 2.57 2.02 0.28 -3.26 112.91 114.57 2kjb h THR 17 Ca -0.09 -0.67 -0.34 0.00 0.77 0.00 0.00 66.41 66.07 2kjb h THR 17 Cb 1.35 1.65 -0.04 0.00 -1.74 0.00 0.00 68.15 69.37 2kjb h THR 17 CO 0.03 0.00 -1.91 -1.84 0.37 0.00 0.00 175.52 172.17 2kjb n GLU 18 N -2.68 0.66 -0.28 6.66 0.28 -0.92 -3.12 120.64 121.24 2kjb n GLU 18 Ca 0.04 0.35 0.04 0.00 -0.16 0.00 0.00 57.16 57.43 2kjb n GLU 18 Cb 0.44 -1.67 0.25 0.00 1.43 0.00 0.00 31.44 31.90 2kjb n GLU 18 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 2kjb h ILE 19 N -0.42 1.07 0.21 3.84 2.10 -1.66 0.40 117.51 123.06 2kjb h ILE 19 Ca -0.46 -0.34 -0.32 0.00 1.08 0.00 0.00 64.86 64.82 2kjb h ILE 19 Cb 1.73 -0.02 0.03 0.00 -1.09 0.00 0.00 36.82 37.47 2kjb h ILE 19 CO -0.10 0.18 -1.40 -0.26 -1.08 0.00 0.00 178.15 175.49 2kjb h PHE 20 N 1.00 0.85 0.00 2.19 0.04 -1.75 -3.22 116.94 116.05 2kjb h PHE 20 Ca 0.37 -0.61 -0.01 0.00 2.80 0.00 0.00 57.97 60.52 2kjb h PHE 20 Cb 0.19 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 2kjb h PHE 20 CO -0.00 1.48 -0.06 -0.22 -0.60 0.00 0.00 178.31 178.91 2kjb h LYS 21 N 0.14 0.00 -0.13 1.51 3.64 -1.34 -3.02 116.57 117.37 2kjb h LYS 21 Ca -0.22 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.20 2kjb h LYS 21 Cb 2.10 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.88 2kjb h LYS 21 CO 0.25 0.06 -0.10 0.00 -2.27 0.00 0.00 179.45 177.39 2kjb h ALA 22 N 1.94 0.00 -2.01 5.00 0.00 -0.23 -3.43 119.26 120.54 2kjb h ALA 22 Ca -0.00 0.05 -0.46 0.00 0.00 0.00 0.00 54.91 54.50 2kjb h ALA 22 Cb 0.42 0.22 0.22 0.00 0.00 0.00 0.00 17.79 18.65 2kjb h ALA 22 CO 0.01 -0.55 -0.36 1.28 0.00 0.00 0.00 179.25 179.63 2kjb n LEU 23 N -5.24 -1.10 0.00 0.00 4.77 -1.14 -4.86 117.00 109.42 2kjb n LEU 23 Ca -0.03 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2kjb n LEU 23 Cb 0.17 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 2kjb n LEU 23 CO 0.24 -3.15 0.00 0.61 -1.33 0.00 0.00 177.39 173.76 2kjb n GLY 24 N 1.28 0.00 3.64 -0.72 0.00 -1.26 -5.07 105.19 103.06 2kjb n GLY 24 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2kjb n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kjb s ASP 25 N 0.00 6.44 0.00 1.61 1.01 -1.26 -4.91 116.67 119.56 2kjb s ASP 25 Ca 0.00 1.74 0.00 0.00 0.71 0.00 0.00 52.55 55.00 2kjb s ASP 25 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2kjb s ASP 25 CO 0.00 -1.19 0.00 0.00 0.21 0.00 0.00 175.17 174.19 2kjb n TYR 26 N 8.18 0.00 0.65 4.23 9.36 -1.26 -4.62 117.16 133.70 2kjb n TYR 26 Ca 0.18 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.50 2kjb n TYR 26 Cb 0.45 -0.19 0.10 0.00 -0.63 0.00 0.00 39.34 39.07 2kjb n TYR 26 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2kjb n ASN 27 N -1.77 2.68 -0.01 2.98 5.15 -1.26 -4.25 115.26 118.78 2kjb n ASN 27 Ca 0.00 -1.81 0.15 0.00 -0.60 0.00 0.00 54.58 52.32 2kjb n ASN 27 Cb 0.00 -0.05 0.70 0.00 -0.53 0.00 0.00 39.78 39.90 2kjb n ASN 27 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2kjb n ARG 28 N 1.07 0.37 -0.19 1.20 3.00 -1.26 -3.55 116.66 117.30 2kjb n ARG 28 Ca 0.12 -0.03 -0.04 0.00 -0.01 0.00 0.00 57.85 57.89 2kjb n ARG 28 Cb 0.48 -1.50 0.06 0.00 0.00 0.00 0.00 32.46 31.49 2kjb n ARG 28 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2kjb h ILE 29 N 0.07 1.04 -0.99 0.55 2.04 -1.82 -2.37 117.51 116.02 2kjb h ILE 29 Ca 0.00 -0.22 0.32 0.00 1.00 0.00 0.00 64.86 65.96 2kjb h ILE 29 Cb 0.34 0.33 -0.18 0.00 -0.74 0.00 0.00 36.82 36.57 2kjb h ILE 29 CO 0.00 0.12 0.22 0.03 0.00 0.00 0.00 178.15 178.52 2kjb h ARG 30 N 0.65 0.01 0.14 2.37 3.08 -1.90 0.64 114.38 119.37 2kjb h ARG 30 Ca 0.24 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 2kjb h ARG 30 Cb 0.06 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2kjb h ARG 30 CO -0.12 0.01 -0.09 0.82 -1.07 0.00 0.00 179.97 179.52 2kjb h ILE 31 N 0.01 0.81 -0.78 2.04 2.04 -1.69 -1.52 117.51 118.43 2kjb h ILE 31 Ca 0.69 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.72 2kjb h ILE 31 Cb 1.60 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 2kjb h ILE 31 CO -0.86 0.00 0.53 -0.03 0.00 0.00 0.00 178.15 177.78 2kjb h MET 32 N -0.22 0.33 0.13 2.37 4.05 0.19 0.39 114.93 122.17 2kjb h MET 32 Ca -0.01 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 2kjb h MET 32 Cb 0.19 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 2kjb h MET 32 CO 0.01 0.22 -0.06 1.49 0.23 0.00 0.00 176.91 178.80 2kjb h GLU 33 N 0.34 -0.16 -0.54 0.39 4.81 -0.35 -1.20 114.58 117.88 2kjb h GLU 33 Ca 0.39 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.57 2kjb h GLU 33 Cb 1.01 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 2kjb h GLU 33 CO -0.11 0.17 0.09 1.25 -0.73 0.00 0.00 179.01 179.68 2kjb h LEU 34 N -0.51 0.80 -1.16 1.64 5.85 -0.29 -2.24 115.31 119.40 2kjb h LEU 34 Ca -0.02 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 2kjb h LEU 34 Cb 0.41 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2kjb h LEU 34 CO 0.03 0.81 0.15 0.25 -0.34 0.00 0.00 178.44 179.34 2kjb h LEU 35 N 0.80 0.69 -1.89 2.25 7.12 -0.21 -1.35 115.31 122.73 2kjb h LEU 35 Ca 0.17 -0.10 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 2kjb h LEU 35 Cb 0.35 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.31 2kjb h LEU 35 CO 0.01 0.66 -0.05 0.28 -0.13 0.00 0.00 178.44 179.21 2kjb h SER 36 N 0.73 0.00 0.36 1.25 0.02 -0.60 -2.70 113.55 112.61 2kjb h SER 36 Ca 0.17 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.87 2kjb h SER 36 Cb 0.22 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.77 2kjb h SER 36 CO -0.01 0.05 -1.08 0.58 -1.14 0.00 0.00 176.83 175.23 2kjb h VAL 37 N 0.00 1.40 0.00 2.27 2.07 -1.07 -3.49 116.25 117.43 2kjb h VAL 37 Ca -0.00 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 64.92 2kjb h VAL 37 Cb 0.38 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2kjb h VAL 37 CO 0.01 0.77 0.00 -0.24 0.02 0.00 0.00 177.57 178.13 2kjb n SER 38 N -3.70 1.81 -4.03 0.57 2.88 -1.02 -5.14 113.62 104.98 2kjb n SER 38 Ca -0.09 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.37 2kjb n SER 38 Cb 0.91 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.27 2kjb n SER 38 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2kjb s GLU 39 N 4.48 0.45 0.26 -1.46 2.02 -1.26 -4.64 118.70 118.54 2kjb s GLU 39 Ca 0.00 -0.86 -0.12 0.00 0.02 0.00 0.00 54.97 54.01 2kjb s GLU 39 Cb 0.00 0.10 0.05 0.00 0.10 0.00 0.00 34.13 34.38 2kjb s GLU 39 CO 0.00 -0.06 0.64 0.00 0.02 0.00 0.00 175.26 175.86 2kjb n ALA 40 N 1.02 -1.51 -1.29 5.21 0.00 -1.26 -5.13 120.51 117.54 2kjb n ALA 40 Ca -0.20 -0.90 -0.29 0.00 0.00 0.00 0.00 53.44 52.04 2kjb n ALA 40 Cb 0.57 0.67 0.20 0.00 0.00 0.00 0.00 19.45 20.89 2kjb n ALA 40 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2kjb s SER 41 N -2.62 2.15 0.02 0.00 1.04 -1.26 -4.75 113.70 108.28 2kjb s SER 41 Ca 0.13 0.81 -0.11 0.00 0.48 0.00 0.00 55.95 57.26 2kjb s SER 41 Cb -0.03 -1.22 -0.32 0.00 0.10 0.00 0.00 66.02 64.54 2kjb s SER 41 CO 0.08 -3.38 0.94 -0.37 0.98 0.00 0.00 173.24 171.48 2kjb h VAL 42 N -2.07 1.23 0.00 5.02 -1.51 -2.02 -3.35 116.25 113.56 2kjb h VAL 42 Ca -0.49 -2.74 -0.03 0.00 -1.23 0.00 0.00 66.70 62.21 2kjb h VAL 42 Cb 1.31 2.94 -0.00 0.00 -2.13 0.00 0.00 31.29 33.40 2kjb h VAL 42 CO 0.47 0.84 -0.15 1.23 -1.23 0.00 0.00 177.57 178.73 2kjb h GLY 43 N 0.71 0.00 -0.79 5.19 0.00 -1.97 -3.34 103.07 102.89 2kjb h GLY 43 Ca -0.25 -0.01 0.38 0.00 0.00 0.00 0.00 47.33 47.44 2kjb h GLY 43 CO 0.23 0.01 0.73 0.45 0.00 0.00 0.00 176.54 177.96 2kjb h HIS 44 N -0.99 0.67 0.00 5.60 -0.00 -1.98 1.37 115.15 119.82 2kjb h HIS 44 Ca -0.04 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 2kjb h HIS 44 Cb 1.04 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 28.27 2kjb h HIS 44 CO 0.26 -0.17 -0.23 0.82 -0.00 0.00 0.00 177.93 178.61 2kjb h ILE 45 N 0.19 0.88 0.25 2.45 2.04 -1.69 -2.24 117.51 119.40 2kjb h ILE 45 Ca 0.76 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 2kjb h ILE 45 Cb 2.14 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 2kjb h ILE 45 CO -0.47 0.23 -0.12 -1.28 0.00 0.00 0.00 178.15 176.50 2kjb h SER 46 N 0.00 -0.29 0.28 1.72 0.87 0.17 -2.88 113.55 113.42 2kjb h SER 46 Ca -0.00 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2kjb h SER 46 Cb 0.50 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2kjb h SER 46 CO 0.03 0.08 -0.13 -0.74 -0.53 0.00 0.00 176.83 175.53 2kjb h HIS 47 N -0.91 -0.35 -0.59 2.24 -0.00 -1.58 0.90 115.15 114.87 2kjb h HIS 47 Ca -0.03 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.42 2kjb h HIS 47 Cb 0.26 0.12 -0.08 0.00 -0.00 0.00 0.00 27.41 27.71 2kjb h HIS 47 CO 0.01 -0.16 0.19 1.96 -0.00 0.00 0.00 177.93 179.93 2kjb h GLN 48 N -0.46 0.34 -0.00 5.26 4.20 -1.58 0.27 115.11 123.13 2kjb h GLN 48 Ca -0.04 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2kjb h GLN 48 Cb 0.35 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2kjb h GLN 48 CO 0.06 0.22 0.00 -0.11 -0.67 0.00 0.00 178.83 178.34 2kjb n LEU 49 N -5.04 0.00 -3.34 1.46 7.94 -1.09 -4.89 117.00 112.04 2kjb n LEU 49 Ca 0.08 -0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 54.81 2kjb n LEU 49 Cb 0.28 -0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.30 2kjb n LEU 49 CO 0.21 0.00 0.03 -3.20 -1.11 0.00 0.00 177.39 173.31 2kjb n ASN 50 N -0.63 -5.71 -4.04 1.96 5.15 0.96 -5.02 115.26 107.93 2kjb n ASN 50 Ca 0.06 -0.74 -0.08 0.00 -0.60 0.00 0.00 54.58 53.23 2kjb n ASN 50 Cb 0.03 -4.97 -0.10 0.00 -0.53 0.00 0.00 39.78 34.22 2kjb n ASN 50 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2kjb s LEU 51 N -5.68 2.27 -0.28 1.20 2.96 0.31 -5.00 118.68 114.45 2kjb s LEU 51 Ca 0.39 -0.87 -0.29 0.00 -0.22 0.00 0.00 54.13 53.14 2kjb s LEU 51 Cb -0.06 0.33 0.01 0.00 0.50 0.00 0.00 46.19 46.98 2kjb s LEU 51 CO 0.75 -0.58 1.05 -0.94 -1.32 0.00 0.00 176.35 175.32 2kjb s SER 52 N -2.71 7.00 0.00 3.68 1.04 -1.26 -3.76 113.70 117.69 2kjb s SER 52 Ca 0.04 1.19 0.06 0.00 0.48 0.00 0.00 55.95 57.71 2kjb s SER 52 Cb 0.05 -2.54 0.34 0.00 0.10 0.00 0.00 66.02 63.97 2kjb s SER 52 CO -0.09 -0.78 0.77 0.00 0.98 0.00 0.00 173.24 174.12 2kjb n GLN 53 N 6.61 0.21 0.13 4.02 10.64 -1.26 -1.34 117.38 136.38 2kjb n GLN 53 Ca 0.12 0.00 0.08 0.00 -1.83 0.00 0.00 57.00 55.36 2kjb n GLN 53 Cb 0.47 -1.43 0.03 0.00 -0.86 0.00 0.00 30.24 28.45 2kjb n GLN 53 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 2kjb h SER 54 N 0.00 0.00 0.09 2.61 0.02 -2.01 -3.37 113.55 110.89 2kjb h SER 54 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 2kjb h SER 54 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2kjb h SER 54 CO 0.00 0.21 -1.85 0.59 -1.14 0.00 0.00 176.83 174.64 2kjb n ASN 55 N -2.93 2.05 0.09 3.07 4.13 -0.45 -4.32 115.26 116.90 2kjb n ASN 55 Ca -0.01 0.25 -0.15 0.00 1.68 0.00 0.00 54.58 56.36 2kjb n ASN 55 Cb 0.64 -0.87 -0.09 0.00 -1.54 0.00 0.00 39.78 37.92 2kjb n ASN 55 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 2kjb h VAL 56 N -0.23 0.00 -0.87 2.41 -1.51 -1.72 0.24 116.25 114.57 2kjb h VAL 56 Ca -0.42 0.00 0.15 0.00 -1.23 0.00 0.00 66.70 65.20 2kjb h VAL 56 Cb 1.84 0.00 -0.15 0.00 -2.13 0.00 0.00 31.29 30.85 2kjb h VAL 56 CO -0.01 0.00 -0.34 0.77 -1.23 0.00 0.00 177.57 176.76 2kjb h SER 57 N -0.67 -1.24 0.43 4.19 4.64 -1.79 1.08 113.55 120.20 2kjb h SER 57 Ca -0.00 0.28 -0.07 0.00 -0.47 0.00 0.00 61.79 61.53 2kjb h SER 57 Cb 0.68 0.67 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 2kjb h SER 57 CO -0.27 -0.29 -0.31 0.45 -0.87 0.00 0.00 176.83 175.53 2kjb h HIS 58 N -0.04 0.00 0.25 4.77 3.86 -1.65 -3.14 115.15 119.20 2kjb h HIS 58 Ca 0.34 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.53 2kjb h HIS 58 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 2kjb h HIS 58 CO -0.78 0.31 -0.12 0.37 0.86 0.00 0.00 177.93 178.57 2kjb h GLN 59 N 0.00 -0.32 -1.00 2.45 5.75 0.46 -3.06 115.11 119.38 2kjb h GLN 59 Ca -0.00 0.02 0.23 0.00 -0.15 0.00 0.00 58.65 58.75 2kjb h GLN 59 Cb 0.61 0.07 -0.10 0.00 1.07 0.00 0.00 27.48 29.13 2kjb h GLN 59 CO 0.04 0.01 0.62 -0.07 -2.65 0.00 0.00 178.83 176.78 2kjb h LEU 60 N -0.68 0.62 -0.72 -2.39 3.38 -0.85 -0.70 115.31 113.97 2kjb h LEU 60 Ca -0.03 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.17 2kjb h LEU 60 Cb 0.47 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.08 2kjb h LEU 60 CO 0.06 0.17 -0.20 0.50 0.09 0.00 0.00 178.44 179.06 2kjb h LYS 61 N 0.57 -0.01 0.00 1.13 1.63 -1.49 0.28 116.57 118.68 2kjb h LYS 61 Ca 0.59 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.39 2kjb h LYS 61 Cb 1.19 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2kjb h LYS 61 CO -0.36 -0.01 0.00 -0.11 -3.45 0.00 0.00 179.45 175.53 2kjb n LEU 62 N -5.48 0.02 -0.26 5.20 7.94 -0.27 -1.28 117.00 122.86 2kjb n LEU 62 Ca 0.09 0.93 -0.09 0.00 -1.11 0.00 0.00 56.01 55.82 2kjb n LEU 62 Cb 0.37 -0.45 -0.08 0.00 0.53 0.00 0.00 43.42 43.79 2kjb n LEU 62 CO 0.00 -0.45 0.49 -0.07 -1.11 0.00 0.00 177.39 176.25 2kjb h LEU 63 N 0.00 -1.64 -0.68 -1.96 4.07 -1.44 0.34 115.31 113.99 2kjb h LEU 63 Ca 0.00 0.24 0.15 0.00 0.08 0.00 0.00 57.88 58.35 2kjb h LEU 63 Cb 0.00 0.71 -0.11 0.00 1.08 0.00 0.00 40.66 42.34 2kjb h LEU 63 CO 0.00 -0.22 0.03 0.50 -1.08 0.00 0.00 178.44 177.66 2kjb h LYS 64 N -0.10 0.13 -0.48 1.13 3.64 -0.54 0.39 116.57 120.76 2kjb h LYS 64 Ca 0.11 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 2kjb h LYS 64 Cb 0.37 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2kjb h LYS 64 CO -0.66 0.09 0.00 1.03 -2.27 0.00 0.00 179.45 177.64 2kjb h SER 65 N 0.13 0.75 0.21 4.20 0.87 0.52 -2.07 113.55 118.17 2kjb h SER 65 Ca 0.37 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2kjb h SER 65 Cb 0.62 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2kjb h SER 65 CO -0.57 0.82 0.00 0.52 -0.53 0.00 0.00 176.83 177.06 2kjb n VAL 66 N -4.22 0.06 -1.31 2.23 0.31 0.94 -4.87 118.33 111.47 2kjb n VAL 66 Ca 0.03 0.02 -0.02 0.00 -0.01 0.00 0.00 64.34 64.35 2kjb n VAL 66 Cb 0.30 -0.58 -0.01 0.00 -0.91 0.00 0.00 33.84 32.64 2kjb n VAL 66 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2kjb n HIS 67 N -1.12 -0.03 0.54 3.52 -0.00 -0.55 -4.93 115.22 112.66 2kjb n HIS 67 Ca 0.17 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 58.01 2kjb n HIS 67 Cb 0.14 -0.95 0.17 0.00 -0.00 0.00 0.00 29.99 29.36 2kjb n HIS 67 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2kjb h LEU 68 N 0.00 0.00 -7.47 2.41 3.38 -1.60 -3.46 115.31 108.57 2kjb h LEU 68 Ca -0.05 -0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.53 2kjb h LEU 68 Cb 0.37 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.84 2kjb h LEU 68 CO 0.07 0.09 -0.53 -0.69 0.09 0.00 0.00 178.44 177.47 2kjb s VAL 69 N -3.18 -0.02 -0.17 1.22 1.01 -1.25 -4.93 120.40 113.08 2kjb s VAL 69 Ca 0.06 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 2kjb s VAL 69 Cb 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.20 2kjb s VAL 69 CO 0.72 0.03 -0.01 -0.75 0.00 0.00 0.00 175.10 175.09 2kjb s LYS 70 N 0.65 3.72 0.79 2.72 2.20 -1.17 -4.40 119.74 124.25 2kjb s LYS 70 Ca -0.05 -0.49 -0.05 0.00 -0.36 0.00 0.00 55.97 55.03 2kjb s LYS 70 Cb -0.06 -3.00 0.17 0.00 -1.51 0.00 0.00 37.83 33.43 2kjb s LYS 70 CO -0.03 0.21 1.08 0.00 -0.36 0.00 0.00 175.35 176.25 2kjb n ALA 71 N 3.64 -0.30 -3.51 3.13 0.00 -1.26 -2.36 120.51 119.86 2kjb n ALA 71 Ca -0.17 -1.87 -0.12 0.00 0.00 0.00 0.00 53.44 51.27 2kjb n ALA 71 Cb 0.52 0.20 -0.09 0.00 0.00 0.00 0.00 19.45 20.09 2kjb n ALA 71 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kjb s LYS 72 N -5.31 0.61 -0.55 0.00 2.20 -1.13 -4.88 119.74 110.69 2kjb s LYS 72 Ca 0.68 0.82 -0.27 0.00 -0.36 0.00 0.00 55.97 56.84 2kjb s LYS 72 Cb -0.03 0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.51 2kjb s LYS 72 CO 0.46 -0.10 1.69 0.50 -0.36 0.00 0.00 175.35 177.54 2kjb s ARG 73 N 0.64 2.99 -0.35 4.03 3.52 -1.26 -2.91 118.95 125.60 2kjb s ARG 73 Ca -0.03 0.68 -0.00 0.00 -0.13 0.00 0.00 55.73 56.24 2kjb s ARG 73 Cb -0.05 -4.26 0.12 0.00 -1.56 0.00 0.00 34.95 29.20 2kjb s ARG 73 CO -0.04 -2.30 0.18 -0.65 -0.81 0.00 0.00 175.30 171.68 2kjb s GLN 74 N 6.26 0.68 3.08 5.12 -1.52 -1.25 -5.00 119.66 127.03 2kjb s GLN 74 Ca 0.64 -1.29 0.00 0.00 -1.95 0.00 0.00 55.36 52.75 2kjb s GLN 74 Cb -0.14 -1.64 0.00 0.00 -0.22 0.00 0.00 33.01 31.02 2kjb s GLN 74 CO 0.24 -1.12 0.00 0.41 -0.25 0.00 0.00 175.29 174.57 2kjb n GLY 75 N 4.30 -0.20 0.45 3.09 0.00 -1.26 -4.14 105.19 107.43 2kjb n GLY 75 Ca 0.05 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 2kjb n GLY 75 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kjb h GLN 76 N 0.00 -1.09 0.00 1.61 7.50 -2.01 -3.45 115.11 117.67 2kjb h GLN 76 Ca 0.00 0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.22 2kjb h GLN 76 Cb 0.00 0.25 0.00 0.00 0.05 0.00 0.00 27.48 27.78 2kjb h GLN 76 CO 0.00 -0.72 0.00 0.43 -1.50 0.00 0.00 178.83 177.04 2kjb n SER 77 N -5.54 -0.12 -3.84 1.46 7.64 -1.26 -5.08 113.62 106.88 2kjb n SER 77 Ca -0.15 -0.71 -0.25 0.00 1.01 0.00 0.00 58.87 58.78 2kjb n SER 77 Cb 0.45 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.48 2kjb n SER 77 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2kjb s MET 78 N -2.29 1.07 -0.22 1.43 -1.94 -1.26 -3.74 119.30 112.34 2kjb s MET 78 Ca 0.00 -0.10 -0.29 0.00 -1.71 0.00 0.00 55.69 53.59 2kjb s MET 78 Cb 0.00 -1.34 0.01 0.00 2.01 0.00 0.00 34.83 35.51 2kjb s MET 78 CO 0.00 -0.30 1.08 0.42 -0.01 0.00 0.00 175.02 176.21 2kjb s ILE 79 N 1.83 4.60 -0.04 2.53 1.01 -1.15 -4.83 121.20 125.16 2kjb s ILE 79 Ca 0.05 1.93 -0.28 0.00 0.00 0.00 0.00 60.65 62.35 2kjb s ILE 79 Cb -0.13 -4.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.06 2kjb s ILE 79 CO -0.07 -0.18 0.89 -0.31 0.00 0.00 0.00 174.94 175.27 2kjb s TYR 80 N 3.28 3.61 -0.03 3.97 1.51 -1.26 -2.83 117.35 125.60 2kjb s TYR 80 Ca 0.46 1.53 -0.07 0.00 -1.01 0.00 0.00 57.07 57.97 2kjb s TYR 80 Cb -0.16 -3.02 0.01 0.00 -0.11 0.00 0.00 41.96 38.68 2kjb s TYR 80 CO 0.08 -0.01 0.17 0.45 -1.11 0.00 0.00 175.55 175.13 2kjb s SER 81 N 0.96 -0.08 0.93 2.29 0.15 -0.99 -4.85 113.70 112.11 2kjb s SER 81 Ca 0.46 0.07 -0.09 0.00 0.70 0.00 0.00 55.95 57.09 2kjb s SER 81 Cb -0.20 0.29 0.15 0.00 -1.71 0.00 0.00 66.02 64.55 2kjb s SER 81 CO 0.23 -0.24 0.88 0.18 1.20 0.00 0.00 173.24 175.50 2kjb n LEU 82 N 2.12 0.00 0.00 3.45 4.77 -1.26 -3.06 117.00 123.02 2kjb n LEU 82 Ca -0.18 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 2kjb n LEU 82 Cb 0.57 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2kjb n LEU 82 CO 0.21 -1.10 0.00 0.47 -1.33 0.00 0.00 177.39 175.64 2kjb n ASP 83 N -3.47 0.00 -4.56 -1.43 8.00 -1.26 -4.89 116.55 108.93 2kjb n ASP 83 Ca 0.12 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.28 2kjb n ASP 83 Cb 0.40 0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.71 2kjb n ASP 83 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2kjb s ASP 84 N -1.61 5.80 0.50 -2.24 1.47 -1.26 -4.76 116.67 114.56 2kjb s ASP 84 Ca 0.00 -1.22 0.34 0.00 1.18 0.00 0.00 52.55 52.85 2kjb s ASP 84 Cb 0.00 -2.57 1.70 0.00 -0.34 0.00 0.00 42.92 41.72 2kjb s ASP 84 CO 0.00 -2.17 2.02 0.40 0.68 0.00 0.00 175.17 176.10 2kjb h ILE 85 N 6.84 0.00 0.10 2.11 1.08 -2.00 -2.83 117.51 122.81 2kjb h ILE 85 Ca 0.18 -0.13 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 2kjb h ILE 85 Cb 0.99 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.67 2kjb h ILE 85 CO 1.32 0.00 -0.13 0.45 -0.69 0.00 0.00 178.15 179.09 2kjb h HIS 86 N 0.00 -0.34 -0.72 1.37 3.86 -1.99 0.16 115.15 117.48 2kjb h HIS 86 Ca 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.25 2kjb h HIS 86 Cb 0.15 0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.71 2kjb h HIS 86 CO 0.00 -0.20 0.48 0.28 0.86 0.00 0.00 177.93 179.34 2kjb h VAL 87 N -0.27 1.11 -0.15 2.45 2.07 -1.92 0.17 116.25 119.70 2kjb h VAL 87 Ca 0.02 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.09 2kjb h VAL 87 Cb 0.28 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2kjb h VAL 87 CO -0.06 0.16 -0.51 0.00 0.02 0.00 0.00 177.57 177.18 2kjb h ALA 88 N 1.58 0.85 -0.04 1.67 0.00 -1.48 -2.98 119.26 118.85 2kjb h ALA 88 Ca 0.29 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2kjb h ALA 88 Cb 0.05 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.76 2kjb h ALA 88 CO -0.08 0.67 -0.35 1.15 0.00 0.00 0.00 179.25 180.65 2kjb h THR 89 N 0.33 1.45 -0.40 0.00 2.02 0.36 -3.17 112.91 113.50 2kjb h THR 89 Ca 0.01 -1.83 0.12 0.00 0.77 0.00 0.00 66.41 65.48 2kjb h THR 89 Cb 1.01 2.48 -0.02 0.00 -1.74 0.00 0.00 68.15 69.88 2kjb h THR 89 CO 0.09 0.52 0.32 0.24 0.37 0.00 0.00 175.52 177.06 2kjb h MET 90 N -0.24 0.00 0.45 6.66 2.86 -0.73 -2.06 114.93 121.87 2kjb h MET 90 Ca -0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2kjb h MET 90 Cb 1.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.69 2kjb h MET 90 CO 0.07 0.00 -0.22 1.25 1.06 0.00 0.00 176.91 179.07 2kjb h LEU 91 N 0.00 -0.51 -0.71 1.22 6.46 -1.51 -3.13 115.31 117.13 2kjb h LEU 91 Ca 0.19 0.02 0.15 0.00 -0.12 0.00 0.00 57.88 58.12 2kjb h LEU 91 Cb 0.83 0.13 -0.13 0.00 -0.73 0.00 0.00 40.66 40.76 2kjb h LEU 91 CO -0.00 -0.16 -0.13 0.50 -0.62 0.00 0.00 178.44 178.03 2kjb h LYS 92 N -1.00 0.02 -1.14 1.25 3.64 -1.44 0.74 116.57 118.64 2kjb h LYS 92 Ca -0.06 -0.00 0.32 0.00 -1.27 0.00 0.00 60.65 59.64 2kjb h LYS 92 Cb 0.46 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.19 2kjb h LYS 92 CO 0.10 0.02 0.76 1.96 -2.27 0.00 0.00 179.45 180.02 2kjb h GLN 93 N 0.03 0.22 -0.21 1.90 4.20 -1.44 0.71 115.11 120.50 2kjb h GLN 93 Ca 0.35 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.98 2kjb h GLN 93 Cb 0.57 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 2kjb h GLN 93 CO -0.70 0.14 -0.14 0.00 -0.67 0.00 0.00 178.83 177.46 2kjb h ALA 94 N 1.54 0.30 0.00 3.87 0.00 0.56 -2.82 119.26 122.71 2kjb h ALA 94 Ca 0.62 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2kjb h ALA 94 Cb 1.93 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2kjb h ALA 94 CO -0.22 0.18 0.00 -0.89 0.00 0.00 0.00 179.25 178.32 2kjb n ILE 95 N -4.50 0.02 -0.00 0.00 5.41 0.12 -3.65 119.36 116.76 2kjb n ILE 95 Ca -0.05 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.60 2kjb n ILE 95 Cb 0.36 -0.51 -0.09 0.00 -0.71 0.00 0.00 39.64 38.69 2kjb n ILE 95 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 2kjb h HIS 96 N 0.00 -0.09 -0.00 1.39 2.76 0.44 -3.15 115.15 116.49 2kjb h HIS 96 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2kjb h HIS 96 Cb 0.37 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.36 2kjb h HIS 96 CO 0.00 0.47 0.65 1.25 -1.30 0.00 0.00 177.93 179.00 2kjb h HIS 97 N -0.86 0.00 0.00 5.26 -0.00 -1.60 -0.63 115.15 117.32 2kjb h HIS 97 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2kjb h HIS 97 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.01 2kjb h HIS 97 CO 0.13 0.00 0.67 0.00 -0.00 0.00 0.00 177.93 178.73 2kjb h ALA 98 N 0.70 1.62 -2.40 5.26 0.00 -1.72 -3.37 119.26 119.34 2kjb h ALA 98 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2kjb h ALA 98 Cb 1.31 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 2kjb h ALA 98 CO -0.00 -0.62 0.39 -0.80 0.00 0.00 0.00 179.25 178.22 2kjb s ASN 99 N -3.42 7.06 0.48 0.00 -0.87 -0.25 -5.04 114.94 112.90 2kjb s ASN 99 Ca -0.01 1.30 -0.19 0.00 -1.57 0.00 0.00 52.86 52.38 2kjb s ASN 99 Cb 0.03 -2.48 -0.09 0.00 -0.02 0.00 0.00 41.25 38.69 2kjb s ASN 99 CO 0.10 -0.36 0.99 -1.00 -2.57 0.00 0.00 177.10 174.26 2kjb s HIS 100 N 1.84 3.21 0.00 2.20 3.76 -1.26 -5.05 115.29 119.99 2kjb s HIS 100 Ca 0.42 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.89 2kjb s HIS 100 Cb -0.17 -2.92 0.00 0.00 1.11 0.00 0.00 32.58 30.60 2kjb s HIS 100 CO 0.16 -0.48 0.00 -0.35 -0.85 0.00 0.00 174.74 173.22 2kjb n PRO 101 N -1.05 0.00 0.06 8.40 -0.04 -1.26 -5.05 135.00 136.06 2kjb n PRO 101 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2kjb n PRO 101 Cb 0.53 -0.21 0.00 0.00 -0.04 0.00 0.00 33.50 33.78 2kjb n PRO 101 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2kjb n LYS 102 N 0.00 0.00 0.00 0.54 4.81 -1.26 -5.31 118.16 116.94 2kjb n LYS 102 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.60 2kjb n LYS 102 Cb 0.00 0.00 0.95 0.00 0.02 0.00 0.00 35.03 36.00 2kjb n LYS 102 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72