#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjs n SER 2 N 0.00 1.89 -4.03 7.83 7.64 -1.26 -4.97 113.62 120.72 1xjs n SER 2 Ca 0.00 0.44 -0.26 0.00 1.01 0.00 0.00 58.87 60.06 1xjs n SER 2 Cb 0.00 -0.81 -0.17 0.00 -1.01 0.00 0.00 64.21 62.22 1xjs n SER 2 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1xjs s PHE 3 N -2.60 1.60 -0.19 1.43 0.40 -1.26 -5.11 117.98 112.24 1xjs s PHE 3 Ca -0.25 -0.64 -0.10 0.00 -0.60 0.00 0.00 56.93 55.34 1xjs s PHE 3 Cb 0.05 -1.17 0.07 0.00 0.51 0.00 0.00 43.02 42.47 1xjs s PHE 3 CO 0.38 -0.33 0.46 1.21 0.70 0.00 0.00 175.22 177.63 1xjs s ASN 4 N 0.78 -0.58 -0.05 1.36 3.84 -1.26 -5.03 114.94 114.00 1xjs s ASN 4 Ca -0.12 1.01 0.03 0.00 0.21 0.00 0.00 52.86 53.99 1xjs s ASN 4 Cb -0.16 0.94 0.16 0.00 -0.55 0.00 0.00 41.25 41.64 1xjs s ASN 4 CO 0.02 -0.20 0.75 0.00 -2.79 0.00 0.00 177.10 174.88 1xjs n ALA 5 N 4.38 2.77 0.08 1.71 0.00 -1.26 -4.32 120.51 123.87 1xjs n ALA 5 Ca -0.21 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 52.74 1xjs n ALA 5 Cb 0.55 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 1xjs n ALA 5 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1xjs h ASN 6 N 0.77 -0.51 0.00 0.00 -1.24 -1.99 -3.35 115.58 109.27 1xjs h ASN 6 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1xjs h ASN 6 Cb 0.79 0.20 0.00 0.00 0.73 0.00 0.00 38.32 40.05 1xjs h ASN 6 CO 0.10 -0.25 -0.70 -0.11 -1.29 0.00 0.00 177.43 175.18 1xjs n LEU 7 N -5.31 2.07 0.25 0.34 7.94 -1.26 -4.66 117.00 116.37 1xjs n LEU 7 Ca -0.06 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.68 1xjs n LEU 7 Cb 0.22 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.09 1xjs n LEU 7 CO 0.26 0.35 0.62 -0.78 -1.11 0.00 0.00 177.39 176.72 1xjs h ASP 8 N 0.00 -1.01 0.75 1.96 3.58 -1.78 0.12 116.42 120.03 1xjs h ASP 8 Ca 0.00 0.08 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 1xjs h ASP 8 Cb 0.70 0.34 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 1xjs h ASP 8 CO 0.00 -0.53 -0.27 0.74 -2.88 0.00 0.00 179.24 176.30 1xjs h THR 9 N -0.79 0.73 0.23 2.25 2.02 -1.81 -0.62 112.91 114.92 1xjs h THR 9 Ca -0.03 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 1xjs h THR 9 Cb 0.70 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1xjs h THR 9 CO -0.05 0.27 -0.11 0.25 0.37 0.00 0.00 175.52 176.25 1xjs h LEU 10 N 0.00 -0.26 -1.00 2.58 5.85 -1.51 -1.57 115.31 119.41 1xjs h LEU 10 Ca -0.00 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 1xjs h LEU 10 Cb 0.72 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1xjs h LEU 10 CO 0.04 0.20 -0.26 0.10 -0.34 0.00 0.00 178.44 178.18 1xjs h TYR 11 N -0.81 0.00 -0.18 1.25 -0.00 -1.00 -0.58 116.97 115.65 1xjs h TYR 11 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 58.73 58.73 1xjs h TYR 11 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.21 1xjs h TYR 11 CO 0.06 0.26 -0.01 -0.09 -0.00 0.00 0.00 178.16 178.37 1xjs h ARG 12 N 0.00 0.04 -0.34 0.10 9.65 -1.02 0.14 114.38 122.95 1xjs h ARG 12 Ca -0.00 -0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.76 1xjs h ARG 12 Cb 0.81 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.37 1xjs h ARG 12 CO 0.03 0.03 -0.26 1.96 2.80 0.00 0.00 179.97 184.53 1xjs h GLN 13 N 0.04 0.70 -0.45 0.20 4.20 -0.72 -0.75 115.11 118.33 1xjs h GLN 13 Ca 0.09 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1xjs h GLN 13 Cb 0.11 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1xjs h GLN 13 CO -0.16 0.89 0.29 0.28 -0.67 0.00 0.00 178.83 179.46 1xjs h VAL 14 N 0.60 1.12 0.02 -0.54 2.07 -0.45 0.55 116.25 119.64 1xjs h VAL 14 Ca 0.08 -0.24 -0.21 0.00 0.82 0.00 0.00 66.70 67.15 1xjs h VAL 14 Cb 0.76 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1xjs h VAL 14 CO 0.06 0.12 -0.99 -0.29 0.02 0.00 0.00 177.57 176.49 1xjs h ILE 15 N 0.60 1.61 -0.45 4.57 2.10 -0.69 -2.79 117.51 122.47 1xjs h ILE 15 Ca 0.16 -3.10 -0.13 0.00 1.08 0.00 0.00 64.86 62.88 1xjs h ILE 15 Cb -0.05 2.74 -0.01 0.00 -1.09 0.00 0.00 36.82 38.40 1xjs h ILE 15 CO -0.03 0.89 -0.22 0.24 -1.08 0.00 0.00 178.15 177.95 1xjs h MET 16 N 0.03 0.94 -0.31 2.19 2.86 -0.90 -1.18 114.93 118.56 1xjs h MET 16 Ca -0.04 -0.41 -0.06 0.00 -2.06 0.00 0.00 59.70 57.13 1xjs h MET 16 Cb 1.70 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.32 1xjs h MET 16 CO 0.14 1.07 -0.07 0.22 1.06 0.00 0.00 176.91 179.33 1xjs h ASP 17 N 0.78 0.49 1.06 1.22 1.82 -0.94 -0.88 116.42 119.96 1xjs h ASP 17 Ca 0.10 -0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 1xjs h ASP 17 Cb 0.79 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.67 1xjs h ASP 17 CO 0.07 0.61 -0.07 -0.74 -1.61 0.00 0.00 179.24 177.49 1xjs h HIS 18 N 0.48 0.00 0.02 0.28 2.76 -1.18 -2.73 115.15 114.79 1xjs h HIS 18 Ca 0.10 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 58.00 1xjs h HIS 18 Cb 0.42 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.35 1xjs h HIS 18 CO 0.01 0.07 -1.46 -0.92 -1.30 0.00 0.00 177.93 174.34 1xjs h TYR 19 N 0.00 0.08 0.00 5.26 3.20 -0.07 -3.19 116.97 122.25 1xjs h TYR 19 Ca -0.00 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1xjs h TYR 19 Cb 0.62 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 1xjs h TYR 19 CO 0.00 1.08 -0.05 0.87 -1.64 0.00 0.00 178.16 178.42 1xjs h LYS 20 N 0.01 0.00 -2.78 1.82 1.79 -0.94 -3.25 116.57 113.22 1xjs h LYS 20 Ca -0.19 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.67 1xjs h LYS 20 Cb 1.93 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 32.18 1xjs h LYS 20 CO 0.11 0.05 -0.74 -0.80 -1.08 0.00 0.00 179.45 176.99 1xjs s ASN 21 N -5.73 3.41 -1.03 0.86 0.01 -1.05 -5.05 114.94 106.36 1xjs s ASN 21 Ca -0.01 -3.53 -0.20 0.00 -0.71 0.00 0.00 52.86 48.42 1xjs s ASN 21 Cb 0.11 -1.13 -0.08 0.00 0.41 0.00 0.00 41.25 40.55 1xjs s ASN 21 CO 0.54 -0.12 2.00 -2.65 -1.51 0.00 0.00 177.10 175.36 1xjs n PRO 22 N 2.33 1.99 -4.00 -0.60 -0.02 -1.21 -4.76 135.00 128.73 1xjs n PRO 22 Ca 0.24 -2.20 -0.21 0.00 -2.02 0.00 0.00 63.50 59.31 1xjs n PRO 22 Cb 0.40 -3.13 -0.17 0.00 -0.02 0.00 0.00 33.50 30.58 1xjs n PRO 22 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1xjs s ARG 23 N 4.59 0.80 -0.11 -0.52 0.52 -1.26 -5.11 118.95 117.87 1xjs s ARG 23 Ca 0.55 -0.04 -0.30 0.00 -0.52 0.00 0.00 55.73 55.42 1xjs s ARG 23 Cb 0.12 -0.94 0.11 0.00 0.52 0.00 0.00 34.95 34.77 1xjs s ARG 23 CO 0.06 -0.17 0.93 1.21 0.02 0.00 0.00 175.30 177.34 1xjs s ASN 24 N 1.34 -0.41 -0.09 0.23 2.47 -1.26 -5.08 114.94 112.14 1xjs s ASN 24 Ca -0.04 0.35 -0.02 0.00 0.42 0.00 0.00 52.86 53.57 1xjs s ASN 24 Cb -0.13 0.35 0.01 0.00 -1.45 0.00 0.00 41.25 40.03 1xjs s ASN 24 CO -0.02 -0.45 0.04 1.17 -3.72 0.00 0.00 177.10 174.12 1xjs n LYS 25 N 0.52 -1.49 -3.66 0.43 4.81 0.27 -4.93 118.16 114.10 1xjs n LYS 25 Ca -0.11 1.47 -0.10 0.00 -0.87 0.00 0.00 58.31 58.69 1xjs n LYS 25 Cb 0.59 -2.58 -0.04 0.00 0.02 0.00 0.00 35.03 33.02 1xjs n LYS 25 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1xjs s GLY 26 N -0.45 -0.22 -0.07 3.14 0.00 -1.15 -4.79 107.32 103.78 1xjs s GLY 26 Ca -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 44.72 44.59 1xjs s GLY 26 CO 0.29 -0.20 0.02 0.14 0.00 0.00 0.00 173.10 173.36 1xjs s VAL 27 N -3.84 0.22 -0.38 1.40 1.01 -1.26 -2.07 120.40 115.49 1xjs s VAL 27 Ca 0.06 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 1xjs s VAL 27 Cb -0.00 -0.43 0.10 0.00 0.00 0.00 0.00 36.38 36.04 1xjs s VAL 27 CO -0.06 0.21 0.13 -0.22 0.00 0.00 0.00 175.10 175.16 1xjs s LEU 28 N 2.03 4.95 -0.48 3.92 0.20 -1.26 -5.01 118.68 123.03 1xjs s LEU 28 Ca 0.05 -1.98 -0.24 0.00 0.69 0.00 0.00 54.13 52.65 1xjs s LEU 28 Cb -0.12 -1.75 0.03 0.00 -0.43 0.00 0.00 46.19 43.91 1xjs s LEU 28 CO -0.05 -0.46 0.86 0.20 -0.29 0.00 0.00 176.35 176.61 1xjs s ASN 29 N 1.49 6.41 0.00 3.68 0.01 -1.26 -4.28 114.94 120.98 1xjs s ASN 29 Ca 0.07 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.09 1xjs s ASN 29 Cb -0.21 -2.41 0.00 0.00 0.41 0.00 0.00 41.25 39.03 1xjs s ASN 29 CO -0.05 -1.03 0.00 -0.67 -1.51 0.00 0.00 177.10 173.84 1xjs n ASP 30 N 7.00 0.00 0.00 -1.22 2.03 -1.26 -5.10 116.55 118.00 1xjs n ASP 30 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1xjs n ASP 30 Cb 0.48 0.23 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 1xjs n ASP 30 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xjs n SER 31 N -2.07 0.00 -4.49 1.67 3.41 -1.24 -5.03 113.62 105.87 1xjs n SER 31 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 1xjs n SER 31 Cb 0.00 -0.12 -0.12 0.00 -0.26 0.00 0.00 64.21 63.70 1xjs n SER 31 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1xjs s ILE 32 N -0.81 4.01 -0.28 -1.33 -4.36 -1.17 -5.03 121.20 112.23 1xjs s ILE 32 Ca 0.00 -0.30 0.01 0.00 -0.26 0.00 0.00 60.65 60.10 1xjs s ILE 32 Cb 0.00 -2.79 0.08 0.00 1.25 0.00 0.00 42.46 41.00 1xjs s ILE 32 CO 0.00 0.46 0.02 -0.69 0.24 0.00 0.00 174.94 174.96 1xjs s VAL 33 N 0.68 1.48 -0.17 8.37 1.01 -1.26 -1.42 120.40 129.09 1xjs s VAL 33 Ca -0.01 -1.51 -0.01 0.00 0.00 0.00 0.00 61.98 60.46 1xjs s VAL 33 Cb -0.14 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.35 1xjs s VAL 33 CO 0.02 -0.38 -0.04 -0.69 0.00 0.00 0.00 175.10 174.01 1xjs s VAL 34 N 1.36 1.01 0.17 2.92 1.01 0.05 -4.99 120.40 121.92 1xjs s VAL 34 Ca 0.03 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.47 1xjs s VAL 34 Cb -0.18 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1xjs s VAL 34 CO -0.12 0.07 -0.09 1.51 0.00 0.00 0.00 175.10 176.47 1xjs s ASP 35 N 1.67 4.31 -0.04 3.32 1.47 -1.26 0.00 116.67 126.15 1xjs s ASP 35 Ca 0.00 -0.54 -0.02 0.00 1.18 0.00 0.00 52.55 53.17 1xjs s ASP 35 Cb -0.16 -0.76 0.03 0.00 -0.34 0.00 0.00 42.92 41.70 1xjs s ASP 35 CO -0.07 0.11 0.08 -0.32 0.68 0.00 0.00 175.17 175.64 1xjs s MET 36 N -2.79 -0.04 0.13 2.11 1.75 0.30 -4.96 119.30 115.80 1xjs s MET 36 Ca 0.25 0.36 0.06 0.00 -1.25 0.00 0.00 55.69 55.11 1xjs s MET 36 Cb -0.09 -0.38 -0.04 0.00 2.84 0.00 0.00 34.83 37.16 1xjs s MET 36 CO 0.15 -0.27 -0.00 -0.80 -0.65 0.00 0.00 175.02 173.45 1xjs s ASN 37 N 1.83 4.91 -0.62 1.11 0.02 -1.26 -0.65 114.94 120.27 1xjs s ASN 37 Ca -0.00 -0.27 0.04 0.00 -1.02 0.00 0.00 52.86 51.61 1xjs s ASN 37 Cb -0.12 -1.11 0.16 0.00 0.02 0.00 0.00 41.25 40.19 1xjs s ASN 37 CO -0.04 0.14 0.41 0.21 0.02 0.00 0.00 177.10 177.84 1xjs s ASN 38 N -2.59 4.40 0.00 -1.22 3.84 0.79 -4.96 114.94 115.19 1xjs s ASN 38 Ca 0.26 -3.53 0.06 0.00 0.21 0.00 0.00 52.86 49.86 1xjs s ASN 38 Cb -0.11 -1.51 0.28 0.00 -0.55 0.00 0.00 41.25 39.36 1xjs s ASN 38 CO 0.18 -0.14 1.06 -2.65 -2.79 0.00 0.00 177.10 172.77 1xjs n PRO 39 N 2.39 0.06 0.01 0.43 -0.02 -1.26 0.85 135.00 137.47 1xjs n PRO 39 Ca 0.16 0.27 -0.22 0.00 -2.02 0.00 0.00 63.50 61.70 1xjs n PRO 39 Cb 0.35 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.19 1xjs n PRO 39 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1xjs h THR 40 N 0.00 1.00 0.00 3.45 2.02 -1.94 -3.41 112.91 114.03 1xjs h THR 40 Ca 0.00 -2.41 -0.18 0.00 0.77 0.00 0.00 66.41 64.59 1xjs h THR 40 Cb 0.06 2.71 -0.03 0.00 -1.74 0.00 0.00 68.15 69.15 1xjs h THR 40 CO 0.00 0.73 -2.18 0.00 0.37 0.00 0.00 175.52 174.44 1xjs n GLY 42 N 1.50 0.67 3.77 0.00 0.00 0.25 -4.87 105.19 106.50 1xjs n GLY 42 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1xjs n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xjs s ASP 43 N -2.00 6.32 -0.25 1.61 1.11 -1.18 -4.25 116.67 118.03 1xjs s ASP 43 Ca 0.00 2.28 -0.04 0.00 0.18 0.00 0.00 52.55 54.97 1xjs s ASP 43 Cb 0.00 -2.60 0.13 0.00 1.07 0.00 0.00 42.92 41.52 1xjs s ASP 43 CO 0.00 -0.81 0.46 -0.60 1.18 0.00 0.00 175.17 175.40 1xjs s ARG 44 N -2.59 0.40 -0.25 8.23 3.52 0.20 -0.15 118.95 128.32 1xjs s ARG 44 Ca 0.61 0.88 0.02 0.00 -0.13 0.00 0.00 55.73 57.11 1xjs s ARG 44 Cb -0.28 0.11 0.06 0.00 -1.56 0.00 0.00 34.95 33.28 1xjs s ARG 44 CO 0.35 -0.47 -0.09 0.42 -0.81 0.00 0.00 175.30 174.70 1xjs s ILE 45 N 2.66 1.90 -0.44 4.11 1.01 0.18 0.47 121.20 131.09 1xjs s ILE 45 Ca 0.08 -1.45 -0.19 0.00 0.00 0.00 0.00 60.65 59.09 1xjs s ILE 45 Cb -0.14 -2.07 0.03 0.00 0.01 0.00 0.00 42.46 40.29 1xjs s ILE 45 CO -0.16 -0.05 0.54 -0.13 0.00 0.00 0.00 174.94 175.14 1xjs s ARG 46 N 1.23 3.17 -0.49 2.79 0.52 0.72 -0.54 118.95 126.35 1xjs s ARG 46 Ca -0.07 -0.62 -0.16 0.00 -0.52 0.00 0.00 55.73 54.36 1xjs s ARG 46 Cb -0.19 -3.98 0.08 0.00 0.52 0.00 0.00 34.95 31.38 1xjs s ARG 46 CO -0.06 -0.96 0.43 -1.17 0.02 0.00 0.00 175.30 173.56 1xjs s LEU 47 N 2.47 5.66 -0.35 2.53 2.96 0.10 -0.23 118.68 131.83 1xjs s LEU 47 Ca 0.17 -1.37 -0.00 0.00 -0.22 0.00 0.00 54.13 52.70 1xjs s LEU 47 Cb -0.16 -2.21 0.09 0.00 0.50 0.00 0.00 46.19 44.41 1xjs s LEU 47 CO 0.16 -0.70 0.09 0.42 -1.32 0.00 0.00 176.35 174.99 1xjs s THR 48 N 1.72 2.88 0.31 3.68 -4.23 0.21 -0.77 115.64 119.42 1xjs s THR 48 Ca 0.05 -1.91 0.08 0.00 -1.18 0.00 0.00 61.69 58.73 1xjs s THR 48 Cb -0.25 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 1xjs s THR 48 CO 0.06 -0.46 0.21 -0.04 -0.54 0.00 0.00 174.62 173.86 1xjs s MET 49 N 1.11 2.66 -0.31 3.99 -1.94 -0.51 0.46 119.30 124.77 1xjs s MET 49 Ca 0.04 -1.30 -0.00 0.00 -1.71 0.00 0.00 55.69 52.72 1xjs s MET 49 Cb -0.21 -2.41 0.10 0.00 2.01 0.00 0.00 34.83 34.32 1xjs s MET 49 CO -0.04 0.19 0.09 0.21 -0.01 0.00 0.00 175.02 175.45 1xjs s LYS 50 N -3.90 0.85 -0.48 2.03 2.20 0.45 -3.02 119.74 117.87 1xjs s LYS 50 Ca 0.38 -1.18 -0.16 0.00 -0.36 0.00 0.00 55.97 54.64 1xjs s LYS 50 Cb -0.06 -2.19 0.07 0.00 -1.51 0.00 0.00 37.83 34.14 1xjs s LYS 50 CO 0.25 -0.96 0.42 -0.48 -0.36 0.00 0.00 175.35 174.22 1xjs s LEU 51 N 1.51 5.55 -0.88 5.43 0.05 -1.26 0.13 118.68 129.20 1xjs s LEU 51 Ca 0.09 -1.28 0.00 0.00 0.05 0.00 0.00 54.13 53.00 1xjs s LEU 51 Cb -0.18 -2.21 0.27 0.00 -2.05 0.00 0.00 46.19 42.02 1xjs s LEU 51 CO -0.22 -0.67 1.05 -0.67 -0.55 0.00 0.00 176.35 175.29 1xjs n ASP 52 N 5.32 4.94 0.00 1.48 2.03 -1.26 -4.84 116.55 124.21 1xjs n ASP 52 Ca -0.12 -3.36 0.00 0.00 0.52 0.00 0.00 54.79 51.84 1xjs n ASP 52 Cb 0.44 -1.00 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 1xjs n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xjs n GLY 53 N 1.39 0.43 0.55 0.27 0.00 -1.26 -4.76 105.19 101.81 1xjs n GLY 53 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1xjs n GLY 53 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xjs n ASP 54 N 0.00 0.04 -0.42 1.61 2.03 -1.26 -5.09 116.55 113.45 1xjs n ASP 54 Ca 0.00 -1.87 0.00 0.00 0.52 0.00 0.00 54.79 53.44 1xjs n ASP 54 Cb 0.00 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1xjs n ASP 54 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1xjs n ILE 55 N 0.02 0.00 -4.02 5.18 -6.64 -1.26 -2.14 119.36 110.50 1xjs n ILE 55 Ca 0.00 0.00 -0.31 0.00 -1.77 0.00 0.00 62.75 60.67 1xjs n ILE 55 Cb 0.69 0.00 -0.16 0.00 -1.44 0.00 0.00 39.64 38.73 1xjs n ILE 55 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 1xjs s VAL 56 N -0.16 1.67 -0.17 7.28 1.01 -0.91 -4.30 120.40 124.82 1xjs s VAL 56 Ca 0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 1xjs s VAL 56 Cb 0.00 -1.63 -0.23 0.00 0.00 0.00 0.00 36.38 34.52 1xjs s VAL 56 CO 0.00 0.35 0.45 -0.33 0.00 0.00 0.00 175.10 175.56 1xjs h GLU 57 N 8.00 0.04 -3.80 2.72 4.39 -0.57 -3.42 114.58 121.95 1xjs h GLU 57 Ca -0.35 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.14 1xjs h GLU 57 Cb 1.12 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.72 1xjs h GLU 57 CO 0.52 1.03 -0.11 0.34 -1.16 0.00 0.00 179.01 179.63 1xjs s ASP 58 N -6.68 0.36 -0.28 1.42 -1.08 -0.92 -4.94 116.67 104.55 1xjs s ASP 58 Ca -0.24 -1.21 -0.17 0.00 -0.52 0.00 0.00 52.55 50.40 1xjs s ASP 58 Cb 0.03 0.65 0.09 0.00 -1.46 0.00 0.00 42.92 42.23 1xjs s ASP 58 CO 0.65 -1.27 0.76 0.00 0.52 0.00 0.00 175.17 175.83 1xjs s ALA 59 N -3.39 -1.95 -0.18 3.66 0.00 -1.26 -0.41 121.76 118.24 1xjs s ALA 59 Ca 0.25 2.32 0.01 0.00 0.00 0.00 0.00 51.96 54.55 1xjs s ALA 59 Cb -0.01 -1.46 0.02 0.00 0.00 0.00 0.00 23.12 21.68 1xjs s ALA 59 CO 0.14 -0.36 -0.17 0.15 0.00 0.00 0.00 175.76 175.52 1xjs s LYS 60 N 1.39 2.65 -0.49 0.00 -0.14 0.17 -4.95 119.74 118.38 1xjs s LYS 60 Ca -0.08 -0.78 -0.10 0.00 -1.36 0.00 0.00 55.97 53.66 1xjs s LYS 60 Cb -0.05 -2.43 0.12 0.00 -1.68 0.00 0.00 37.83 33.80 1xjs s LYS 60 CO -0.16 -0.26 0.37 -0.59 -0.76 0.00 0.00 175.35 173.95 1xjs s PHE 61 N 1.35 3.43 -1.30 3.18 -0.12 -1.24 -0.62 117.98 122.66 1xjs s PHE 61 Ca 0.04 -1.87 -0.17 0.00 -0.05 0.00 0.00 56.93 54.87 1xjs s PHE 61 Cb -0.14 -3.52 0.08 0.00 -0.63 0.00 0.00 43.02 38.82 1xjs s PHE 61 CO -0.11 -0.99 1.73 -1.91 -0.05 0.00 0.00 175.22 173.88 1xjs n GLU 62 N 4.86 3.21 -3.64 1.99 2.13 0.68 -0.57 120.64 129.30 1xjs n GLU 62 Ca -0.07 -3.32 -0.39 0.00 0.66 0.00 0.00 57.16 54.04 1xjs n GLU 62 Cb 0.41 -3.43 -0.12 0.00 0.27 0.00 0.00 31.44 28.57 1xjs n GLU 62 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1xjs s GLY 63 N 3.98 1.88 0.14 8.31 0.00 -1.25 -0.20 107.32 120.17 1xjs s GLY 63 Ca 0.52 -1.44 0.11 0.00 0.00 0.00 0.00 44.72 43.90 1xjs s GLY 63 CO 0.06 0.72 -0.25 1.85 0.00 0.00 0.00 173.10 175.48 1xjs s GLU 64 N 1.61 1.37 0.00 2.90 2.56 0.18 -4.59 118.70 122.72 1xjs s GLU 64 Ca 0.04 -1.35 0.00 0.00 0.00 0.00 0.00 54.97 53.67 1xjs s GLU 64 Cb -0.17 -1.79 0.00 0.00 2.00 0.00 0.00 34.13 34.17 1xjs s GLU 64 CO 0.06 0.42 0.00 0.41 -0.56 0.00 0.00 175.26 175.59 1xjs n GLY 65 N 0.83 0.27 2.28 -1.50 0.00 -1.26 0.62 105.19 106.42 1xjs n GLY 65 Ca -0.17 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 1xjs n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjs h SER 67 N 0.11 1.04 0.17 0.00 0.02 -2.01 -3.20 113.55 109.69 1xjs h SER 67 Ca -0.17 -0.09 -0.24 0.00 -0.84 0.00 0.00 61.79 60.45 1xjs h SER 67 Cb 0.73 -0.27 0.03 0.00 0.14 0.00 0.00 62.40 63.03 1xjs h SER 67 CO 0.24 0.84 -1.02 0.16 -1.14 0.00 0.00 176.83 175.90 1xjs h ILE 68 N 1.17 1.43 0.17 3.27 -0.00 -1.96 -3.25 117.51 118.34 1xjs h ILE 68 Ca 0.30 -2.55 -0.01 0.00 -0.00 0.00 0.00 64.86 62.60 1xjs h ILE 68 Cb 0.02 3.09 0.00 0.00 -0.00 0.00 0.00 36.82 39.93 1xjs h ILE 68 CO -0.05 0.74 -0.08 0.77 -0.00 0.00 0.00 178.15 179.53 1xjs h SER 69 N -0.16 -0.20 0.74 2.16 4.64 -1.85 0.29 113.55 119.17 1xjs h SER 69 Ca -0.18 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 60.92 1xjs h SER 69 Cb 1.80 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.93 1xjs h SER 69 CO 0.19 0.10 -0.10 0.00 -0.87 0.00 0.00 176.83 176.15 1xjs h MET 70 N -0.51 0.00 0.03 4.77 -0.00 -1.74 -2.74 114.93 114.74 1xjs h MET 70 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.52 1xjs h MET 70 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.97 1xjs h MET 70 CO 0.04 0.10 -0.82 0.00 -0.00 0.00 0.00 176.91 176.22 1xjs h ALA 71 N 1.90 0.14 -0.35 -3.00 0.00 -1.49 -3.22 119.26 113.24 1xjs h ALA 71 Ca -0.00 -0.92 0.01 0.00 0.00 0.00 0.00 54.91 54.01 1xjs h ALA 71 Cb 0.50 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1xjs h ALA 71 CO 0.01 0.47 0.21 0.66 0.00 0.00 0.00 179.25 180.60 1xjs h SER 72 N -0.85 0.34 -0.49 0.00 4.64 -0.40 -0.94 113.55 115.85 1xjs h SER 72 Ca -0.21 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.16 1xjs h SER 72 Cb 1.29 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 1xjs h SER 72 CO -0.07 0.25 0.24 0.00 -0.87 0.00 0.00 176.83 176.38 1xjs h ALA 73 N 1.15 0.62 -0.39 5.18 0.00 -1.67 0.61 119.26 124.76 1xjs h ALA 73 Ca 0.14 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1xjs h ALA 73 Cb -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1xjs h ALA 73 CO -0.06 -0.11 0.19 0.77 0.00 0.00 0.00 179.25 180.04 1xjs h SER 74 N 0.48 0.48 0.09 0.00 0.02 -1.40 0.71 113.55 113.93 1xjs h SER 74 Ca 0.22 -0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.93 1xjs h SER 74 Cb 0.13 -0.12 0.02 0.00 0.14 0.00 0.00 62.40 62.57 1xjs h SER 74 CO -0.16 0.42 -0.81 -0.03 -1.14 0.00 0.00 176.83 175.11 1xjs h MET 75 N 0.55 0.39 -0.03 3.45 -1.53 -0.12 -2.53 114.93 115.10 1xjs h MET 75 Ca 0.14 -0.54 -0.16 0.00 -3.44 0.00 0.00 59.70 55.70 1xjs h MET 75 Cb 0.06 0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.28 1xjs h MET 75 CO -0.02 1.22 -0.71 0.52 0.14 0.00 0.00 176.91 178.05 1xjs h MET 76 N -0.18 0.17 0.00 0.39 2.86 -0.77 -2.79 114.93 114.61 1xjs h MET 76 Ca -0.13 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1xjs h MET 76 Cb 1.57 0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.27 1xjs h MET 76 CO 0.16 0.81 0.00 1.79 1.06 0.00 0.00 176.91 180.72 1xjs h THR 77 N 0.11 0.00 -0.21 2.22 1.35 -0.91 -1.41 112.91 114.06 1xjs h THR 77 Ca -0.02 -0.73 -0.19 0.00 -0.55 0.00 0.00 66.41 64.93 1xjs h THR 77 Cb 1.27 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 1xjs h THR 77 CO 0.11 0.00 -0.63 -0.61 -0.25 0.00 0.00 175.52 174.14 1xjs h GLN 78 N 0.00 0.72 -0.12 4.72 -0.00 -1.18 0.37 115.11 119.62 1xjs h GLN 78 Ca 0.00 -0.50 -0.15 0.00 -0.00 0.00 0.00 58.65 58.00 1xjs h GLN 78 Cb 0.73 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 28.28 1xjs h GLN 78 CO 0.00 1.12 -0.56 0.00 0.00 0.00 0.00 178.83 179.39 1xjs h ALA 79 N 0.76 0.82 -0.22 3.38 0.00 -1.35 -3.14 119.26 119.50 1xjs h ALA 79 Ca -0.01 -0.51 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 1xjs h ALA 79 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xjs h ALA 79 CO 0.13 0.70 -0.56 0.82 0.00 0.00 0.00 179.25 180.33 1xjs h ILE 80 N 0.28 1.29 0.00 0.00 1.08 -1.00 -2.79 117.51 116.38 1xjs h ILE 80 Ca 0.00 -1.76 0.00 0.00 -0.39 0.00 0.00 64.86 62.71 1xjs h ILE 80 Cb 1.07 1.81 0.00 0.00 -3.07 0.00 0.00 36.82 36.63 1xjs h ILE 80 CO 0.09 0.56 0.13 0.50 -0.69 0.00 0.00 178.15 178.74 1xjs h LYS 81 N 0.51 0.00 -0.22 2.37 3.64 -0.23 -1.17 116.57 121.46 1xjs h LYS 81 Ca -0.01 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1xjs h LYS 81 Cb 1.17 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 1xjs h LYS 81 CO 0.12 0.00 -0.10 0.41 -2.27 0.00 0.00 179.45 177.61 1xjs n GLY 82 N -1.17 4.71 0.00 5.01 0.00 -1.06 -4.60 105.19 108.09 1xjs n GLY 82 Ca -0.02 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1xjs n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xjs n LYS 83 N -1.02 1.42 -1.20 1.61 4.01 -0.44 -5.05 118.16 117.49 1xjs n LYS 83 Ca 0.25 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.05 1xjs n LYS 83 Cb 0.89 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.41 1xjs n LYS 83 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1xjs n ASP 84 N -1.51 1.99 0.04 4.39 9.92 -1.26 -2.15 116.55 127.97 1xjs n ASP 84 Ca 0.00 -0.60 -0.20 0.00 -0.53 0.00 0.00 54.79 53.46 1xjs n ASP 84 Cb 0.00 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.34 1xjs n ASP 84 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1xjs h ILE 85 N 0.60 0.86 -0.05 0.53 1.08 -1.67 -2.86 117.51 115.99 1xjs h ILE 85 Ca 0.00 -2.52 0.01 0.00 -0.39 0.00 0.00 64.86 61.96 1xjs h ILE 85 Cb 0.00 2.65 -0.01 0.00 -3.07 0.00 0.00 36.82 36.39 1xjs h ILE 85 CO 0.00 0.84 0.01 -0.08 -0.69 0.00 0.00 178.15 178.22 1xjs h GLU 86 N 0.08 0.03 -0.14 2.37 4.57 -1.98 0.23 114.58 119.74 1xjs h GLU 86 Ca -0.35 -0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 57.74 1xjs h GLU 86 Cb 2.06 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.63 1xjs h GLU 86 CO 0.14 0.02 -0.32 1.79 -1.18 0.00 0.00 179.01 179.46 1xjs h THR 87 N 0.03 1.27 -0.21 0.32 1.35 -1.96 0.79 112.91 114.50 1xjs h THR 87 Ca 0.02 -1.30 -0.11 0.00 -0.55 0.00 0.00 66.41 64.47 1xjs h THR 87 Cb 0.02 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1xjs h THR 87 CO -0.03 0.39 -0.31 0.00 -0.25 0.00 0.00 175.52 175.32 1xjs h ALA 88 N 1.44 0.32 -0.40 6.62 0.00 -1.23 -0.52 119.26 125.50 1xjs h ALA 88 Ca 0.03 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1xjs h ALA 88 Cb 0.68 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1xjs h ALA 88 CO 0.05 0.35 -0.08 -0.07 0.00 0.00 0.00 179.25 179.50 1xjs h LEU 89 N 0.27 0.66 -0.22 0.00 3.38 -0.27 -2.17 115.31 116.95 1xjs h LEU 89 Ca 0.02 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1xjs h LEU 89 Cb 0.89 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1xjs h LEU 89 CO 0.07 0.79 -0.09 -1.28 0.09 0.00 0.00 178.44 178.02 1xjs h SER 90 N 0.63 0.47 -0.61 -0.43 0.87 -0.80 0.25 113.55 113.93 1xjs h SER 90 Ca 0.11 -0.40 0.05 0.00 -1.23 0.00 0.00 61.79 60.33 1xjs h SER 90 Cb 0.52 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.31 1xjs h SER 90 CO 0.03 0.76 0.41 -0.03 -0.53 0.00 0.00 176.83 177.47 1xjs h MET 91 N 0.17 0.62 0.00 2.24 1.85 -0.88 0.11 114.93 119.06 1xjs h MET 91 Ca 0.05 -0.04 -0.27 0.00 -0.61 0.00 0.00 59.70 58.83 1xjs h MET 91 Cb 0.58 -0.14 -0.04 0.00 0.43 0.00 0.00 31.60 32.42 1xjs h MET 91 CO 0.03 0.41 -1.54 0.66 -0.40 0.00 0.00 176.91 176.07 1xjs h SER 92 N 0.64 0.01 -0.16 1.39 4.64 -1.31 -0.64 113.55 118.13 1xjs h SER 92 Ca 0.26 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1xjs h SER 92 Cb 0.21 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1xjs h SER 92 CO -0.08 1.02 0.09 0.50 -0.87 0.00 0.00 176.83 177.49 1xjs h LYS 93 N 0.00 0.23 -0.06 4.77 3.64 0.33 0.28 116.57 125.76 1xjs h LYS 93 Ca -0.22 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 58.99 1xjs h LYS 93 Cb 1.96 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.72 1xjs h LYS 93 CO 0.09 0.24 -0.58 0.97 -2.27 0.00 0.00 179.45 177.90 1xjs h ILE 94 N 0.15 1.39 -0.57 2.00 2.10 -0.91 -0.22 117.51 121.45 1xjs h ILE 94 Ca 0.06 -1.95 0.05 0.00 1.08 0.00 0.00 64.86 64.10 1xjs h ILE 94 Cb 0.08 1.99 -0.05 0.00 -1.09 0.00 0.00 36.82 37.75 1xjs h ILE 94 CO -0.01 0.57 0.31 0.15 -1.08 0.00 0.00 178.15 178.09 1xjs h PHE 95 N 0.15 0.57 0.05 2.19 3.04 -0.58 0.29 116.94 122.65 1xjs h PHE 95 Ca -0.00 0.02 -0.23 0.00 3.98 0.00 0.00 57.97 61.73 1xjs h PHE 95 Cb 1.07 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 39.41 1xjs h PHE 95 CO 0.02 0.28 -1.05 0.77 -2.02 0.00 0.00 178.31 176.31 1xjs h SER 96 N 0.59 0.35 0.12 0.41 0.02 -0.90 -3.28 113.55 110.86 1xjs h SER 96 Ca 0.25 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 1xjs h SER 96 Cb 0.14 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1xjs h SER 96 CO -0.16 1.19 -0.17 -0.78 -1.14 0.00 0.00 176.83 175.77 1xjs h ASP 97 N 0.11 0.11 -0.73 3.07 3.58 -0.31 -2.10 116.42 120.15 1xjs h ASP 97 Ca -0.08 -0.02 0.17 0.00 0.42 0.00 0.00 57.03 57.51 1xjs h ASP 97 Cb 1.73 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.71 1xjs h ASP 97 CO 0.17 0.29 0.50 0.24 -2.88 0.00 0.00 179.24 177.56 1xjs h MET 98 N 0.11 0.26 0.00 0.28 2.86 -1.03 -0.41 114.93 117.01 1xjs h MET 98 Ca 0.02 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1xjs h MET 98 Cb 0.37 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1xjs h MET 98 CO 0.02 0.18 0.00 1.98 1.06 0.00 0.00 176.91 180.15 1xjs h MET 99 N 0.27 0.00 0.04 1.72 1.85 -1.56 -1.38 114.93 115.87 1xjs h MET 99 Ca 0.36 0.00 -0.38 0.00 -0.61 0.00 0.00 59.70 59.07 1xjs h MET 99 Cb 1.01 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.99 1xjs h MET 99 CO -0.09 0.00 -2.28 1.04 -0.40 0.00 0.00 176.91 175.19 1xjs n GLN 100 N -2.93 0.69 0.05 0.39 3.00 -0.29 -4.60 117.38 113.70 1xjs n GLN 100 Ca 0.03 0.18 -0.02 0.00 -0.01 0.00 0.00 57.00 57.18 1xjs n GLN 100 Cb 0.44 -1.60 -0.01 0.00 0.00 0.00 0.00 30.24 29.07 1xjs n GLN 100 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1xjs h GLY 101 N 1.88 -0.15 0.00 1.08 0.00 -1.21 -3.50 103.07 101.17 1xjs h GLY 101 Ca -0.51 0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1xjs h GLY 101 CO -0.01 -0.06 0.00 0.28 0.00 0.00 0.00 176.54 176.75 1xjs n LYS 102 N -2.71 0.00 -3.15 4.80 4.76 -0.52 -5.10 118.16 116.24 1xjs n LYS 102 Ca -0.02 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.47 1xjs n LYS 102 Cb 0.06 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.23 1xjs n LYS 102 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1xjs s GLU 103 N 0.00 0.39 -0.28 1.97 2.12 -1.25 -4.65 118.70 117.01 1xjs s GLU 103 Ca 0.00 0.68 -0.26 0.00 0.36 0.00 0.00 54.97 55.75 1xjs s GLU 103 Cb 0.00 0.38 0.16 0.00 0.26 0.00 0.00 34.13 34.92 1xjs s GLU 103 CO 0.00 -0.44 1.24 1.52 -0.54 0.00 0.00 175.26 177.03 1xjs s TYR 104 N 2.90 -0.24 -0.03 5.30 -0.85 -1.26 -5.15 117.35 118.02 1xjs s TYR 104 Ca 0.11 0.56 0.02 0.00 -0.52 0.00 0.00 57.07 57.24 1xjs s TYR 104 Cb -0.13 0.44 0.01 0.00 0.38 0.00 0.00 41.96 42.66 1xjs s TYR 104 CO -0.17 -0.14 -0.06 0.34 -1.52 0.00 0.00 175.55 174.01 1xjs s ASP 105 N -0.12 0.97 0.57 -0.18 2.15 -1.26 -4.78 116.67 114.02 1xjs s ASP 105 Ca 0.05 -0.14 0.27 0.00 0.43 0.00 0.00 52.55 53.15 1xjs s ASP 105 Cb -0.04 -0.35 1.62 0.00 -0.30 0.00 0.00 42.92 43.85 1xjs s ASP 105 CO -0.10 0.01 2.14 -0.78 -0.17 0.00 0.00 175.17 176.27 1xjs h ASP 106 N 6.71 0.00 0.00 -0.34 3.58 -1.98 -2.11 116.42 122.29 1xjs h ASP 106 Ca -0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.10 1xjs h ASP 106 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1xjs h ASP 106 CO 0.48 0.00 -0.81 -1.20 -2.88 0.00 0.00 179.24 174.83 1xjs n SER 107 N -3.98 0.88 0.00 2.28 7.64 -1.26 -4.96 113.62 114.22 1xjs n SER 107 Ca 0.00 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.24 1xjs n SER 107 Cb 0.25 1.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.57 1xjs n SER 107 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xjs n ILE 108 N -1.44 0.00 -2.84 0.44 -0.00 -0.79 -4.92 119.36 109.81 1xjs n ILE 108 Ca 0.01 0.00 -0.44 0.00 -0.00 0.00 0.00 62.75 62.33 1xjs n ILE 108 Cb 0.23 -0.31 -0.00 0.00 -0.00 0.00 0.00 39.64 39.56 1xjs n ILE 108 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1xjs s ASP 109 N -2.30 7.00 -0.22 4.38 2.15 -1.26 -4.71 116.67 121.70 1xjs s ASP 109 Ca 0.00 -2.82 0.14 0.00 0.43 0.00 0.00 52.55 50.30 1xjs s ASP 109 Cb 0.00 -2.45 0.57 0.00 -0.30 0.00 0.00 42.92 40.73 1xjs s ASP 109 CO 0.00 -0.88 1.50 0.18 -0.17 0.00 0.00 175.17 175.80 1xjs n LEU 110 N 6.47 4.31 0.01 -1.34 4.77 -1.26 -4.77 117.00 125.19 1xjs n LEU 110 Ca 0.40 -3.20 -0.13 0.00 -0.03 0.00 0.00 56.01 53.05 1xjs n LEU 110 Cb 0.44 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1xjs n LEU 110 CO 0.66 0.81 0.57 1.23 -1.33 0.00 0.00 177.39 179.33 1xjs h GLY 111 N 1.83 -0.80 1.52 -0.72 0.00 -2.01 -0.08 103.07 102.81 1xjs h GLY 111 Ca 0.08 0.55 -0.28 0.00 0.00 0.00 0.00 47.33 47.68 1xjs h GLY 111 CO 0.34 -0.23 -1.33 -1.80 0.00 0.00 0.00 176.54 173.53 1xjs h ASP 112 N -0.53 0.40 -0.96 0.19 3.58 -1.99 -3.30 116.42 113.81 1xjs h ASP 112 Ca 0.06 -0.46 0.01 0.00 0.42 0.00 0.00 57.03 57.06 1xjs h ASP 112 Cb 0.65 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.52 1xjs h ASP 112 CO -0.39 1.37 0.64 0.40 -2.88 0.00 0.00 179.24 178.38 1xjs h ILE 113 N 0.07 1.23 0.00 2.25 2.04 -1.78 0.42 117.51 121.74 1xjs h ILE 113 Ca -0.16 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 1xjs h ILE 113 Cb 1.98 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1xjs h ILE 113 CO 0.19 0.24 -0.29 -0.33 0.00 0.00 0.00 178.15 177.95 1xjs h GLU 114 N 1.29 0.00 0.13 2.37 5.08 -1.16 -2.38 114.58 119.91 1xjs h GLU 114 Ca 0.36 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.50 1xjs h GLU 114 Cb -0.13 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.15 1xjs h GLU 114 CO -0.08 0.29 -0.93 0.00 -1.00 0.00 0.00 179.01 177.29 1xjs h ALA 115 N 1.71 -0.06 -0.51 3.43 0.00 -1.14 -2.92 119.26 119.77 1xjs h ALA 115 Ca -0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 54.91 54.13 1xjs h ALA 115 Cb 1.11 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1xjs h ALA 115 CO 0.04 0.46 0.03 1.25 0.00 0.00 0.00 179.25 181.03 1xjs h LEU 116 N -0.15 0.80 -0.88 0.00 5.85 -0.27 -2.19 115.31 118.47 1xjs h LEU 116 Ca -0.15 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 1xjs h LEU 116 Cb 1.69 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 1xjs h LEU 116 CO 0.18 0.85 -0.23 0.06 -0.34 0.00 0.00 178.44 178.95 1xjs h GLN 117 N 0.79 0.00 -0.14 1.25 3.07 -1.52 -2.56 115.11 116.00 1xjs h GLN 117 Ca 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.88 1xjs h GLN 117 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.99 1xjs h GLN 117 CO 0.02 0.23 0.03 0.78 0.09 0.00 0.00 178.83 179.98 1xjs h GLY 118 N 2.44 0.25 1.80 0.06 0.00 -1.18 -3.02 103.07 103.42 1xjs h GLY 118 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1xjs h GLY 118 CO 0.03 0.15 -0.18 -0.39 0.00 0.00 0.00 176.54 176.15 1xjs h VAL 119 N 0.02 0.00 0.00 4.60 -1.51 -1.56 -3.35 116.25 114.45 1xjs h VAL 119 Ca 0.04 -0.86 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1xjs h VAL 119 Cb 0.28 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1xjs h VAL 119 CO 0.00 0.00 0.25 -0.24 -1.23 0.00 0.00 177.57 176.35 1xjs n SER 120 N -2.80 0.19 -0.01 4.19 2.88 -0.97 -2.64 113.62 114.47 1xjs n SER 120 Ca 0.04 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 1xjs n SER 120 Cb 0.51 -0.42 -0.02 0.00 -0.75 0.00 0.00 64.21 63.53 1xjs n SER 120 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1xjs n LYS 121 N -1.71 1.89 -2.44 -1.46 2.85 -1.26 -4.52 118.16 111.51 1xjs n LYS 121 Ca -0.00 -0.01 -0.42 0.00 -1.05 0.00 0.00 58.31 56.82 1xjs n LYS 121 Cb 0.26 -1.05 -0.03 0.00 -0.65 0.00 0.00 35.03 33.56 1xjs n LYS 121 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1xjs s PHE 122 N -2.10 3.43 0.54 5.58 0.08 -1.08 -4.89 117.98 119.53 1xjs s PHE 122 Ca -0.01 1.31 0.34 0.00 0.12 0.00 0.00 56.93 58.70 1xjs s PHE 122 Cb 0.01 -3.40 1.52 0.00 -0.57 0.00 0.00 43.02 40.58 1xjs s PHE 122 CO 0.09 -1.22 1.84 -1.35 -0.10 0.00 0.00 175.22 174.49 1xjs h PRO 123 N 6.86 0.00 0.00 0.24 0.11 -1.92 0.35 132.00 137.64 1xjs h PRO 123 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1xjs h PRO 123 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xjs h PRO 123 CO 0.81 0.00 -0.88 0.00 -0.21 0.00 0.00 178.00 177.72 1xjs n ALA 124 N -2.74 3.11 0.32 -0.75 0.00 -1.26 -4.19 120.51 115.00 1xjs n ALA 124 Ca 0.22 -0.33 0.03 0.00 0.00 0.00 0.00 53.44 53.37 1xjs n ALA 124 Cb 1.11 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 1xjs n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xjs n ARG 125 N -2.09 2.41 0.09 0.00 5.12 0.97 -4.56 116.66 118.60 1xjs n ARG 125 Ca 0.02 -0.48 -0.07 0.00 -1.93 0.00 0.00 57.85 55.39 1xjs n ARG 125 Cb 0.45 -0.98 0.01 0.00 -1.16 0.00 0.00 32.46 30.77 1xjs n ARG 125 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 1xjs h ILE 126 N 0.75 1.51 0.00 0.55 2.10 -0.55 -0.89 117.51 120.99 1xjs h ILE 126 Ca 0.00 -2.63 0.00 0.00 1.08 0.00 0.00 64.86 63.31 1xjs h ILE 126 Cb 0.24 2.46 0.00 0.00 -1.09 0.00 0.00 36.82 38.42 1xjs h ILE 126 CO 0.00 0.76 -0.11 0.07 -1.08 0.00 0.00 178.15 177.80 1xjs h LYS 127 N 0.08 0.00 0.00 2.19 2.10 -1.81 0.15 116.57 119.29 1xjs h LYS 127 Ca -0.03 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.41 1xjs h LYS 127 Cb 1.47 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.77 1xjs h LYS 127 CO 0.12 0.00 -1.23 0.00 -2.00 0.00 0.00 179.45 176.34 1xjs h ALA 129 N 1.19 -0.01 0.00 0.00 0.00 -0.89 -3.10 119.26 116.45 1xjs h ALA 129 Ca -0.13 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1xjs h ALA 129 Cb 1.73 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1xjs h ALA 129 CO 0.08 -0.13 -0.16 1.79 0.00 0.00 0.00 179.25 180.84 1xjs h THR 130 N -0.77 0.75 0.23 0.00 1.35 -0.86 -1.52 112.91 112.08 1xjs h THR 130 Ca -0.00 -0.62 -0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1xjs h THR 130 Cb 0.74 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 1xjs h THR 130 CO 0.00 0.15 -0.28 0.25 -0.25 0.00 0.00 175.52 175.40 1xjs h LEU 131 N 0.00 -0.77 -1.26 3.87 6.46 -1.47 0.40 115.31 122.54 1xjs h LEU 131 Ca -0.00 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.78 1xjs h LEU 131 Cb 0.37 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 1xjs h LEU 131 CO 0.02 -0.35 -0.02 0.28 -0.62 0.00 0.00 178.44 177.76 1xjs h SER 132 N -0.52 0.45 0.56 1.25 0.02 -1.44 -1.49 113.55 112.39 1xjs h SER 132 Ca -0.03 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1xjs h SER 132 Cb 0.46 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.89 1xjs h SER 132 CO -0.06 0.53 -0.27 -0.25 -1.14 0.00 0.00 176.83 175.65 1xjs h TRP 133 N 0.47 -0.69 -0.17 3.45 7.01 -1.11 -2.39 115.95 122.52 1xjs h TRP 133 Ca 0.10 -0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.00 1xjs h TRP 133 Cb 0.33 0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 1xjs h TRP 133 CO 0.01 -0.37 -0.27 0.87 -2.79 0.00 0.00 178.44 175.90 1xjs h LYS 134 N -1.07 0.31 -0.28 2.65 1.79 -0.17 -1.93 116.57 117.87 1xjs h LYS 134 Ca -0.08 -0.11 -0.13 0.00 -2.18 0.00 0.00 60.65 58.16 1xjs h LYS 134 Cb 0.64 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1xjs h LYS 134 CO 0.13 0.56 -0.35 0.00 -1.08 0.00 0.00 179.45 178.71 1xjs h ALA 135 N 1.45 0.87 0.17 3.86 0.00 -1.30 -1.11 119.26 123.20 1xjs h ALA 135 Ca 0.04 -0.42 -0.30 0.00 0.00 0.00 0.00 54.91 54.23 1xjs h ALA 135 Cb 0.62 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.32 1xjs h ALA 135 CO 0.04 0.63 -1.32 1.25 0.00 0.00 0.00 179.25 179.86 1xjs h LEU 136 N 0.52 0.74 -1.37 0.00 5.85 -1.14 -2.57 115.31 117.34 1xjs h LEU 136 Ca 0.05 -0.74 -0.02 0.00 0.84 0.00 0.00 57.88 58.01 1xjs h LEU 136 Cb 0.85 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1xjs h LEU 136 CO 0.07 1.56 -0.10 -0.33 -0.34 0.00 0.00 178.44 179.31 1xjs h GLU 137 N 0.17 0.00 0.00 1.25 5.08 -1.33 -2.90 114.58 116.85 1xjs h GLU 137 Ca -0.20 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 1xjs h GLU 137 Cb 2.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.25 1xjs h GLU 137 CO 0.24 0.10 -0.89 -0.22 -1.00 0.00 0.00 179.01 177.24 1xjs h LYS 138 N 0.00 0.00 0.92 2.33 3.64 -1.12 -2.66 116.57 119.68 1xjs h LYS 138 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1xjs h LYS 138 Cb 0.59 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1xjs h LYS 138 CO 0.01 0.16 -0.44 0.78 -2.27 0.00 0.00 179.45 177.69 1xjs h GLY 139 N 3.84 -1.29 -1.08 5.01 0.00 -1.24 -3.31 103.07 105.00 1xjs h GLY 139 Ca -0.05 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1xjs h GLY 139 CO 0.02 -0.47 0.00 3.33 0.00 0.00 0.00 176.54 179.43 1xjs n VAL 140 N -5.54 1.18 -2.38 4.60 0.24 -1.26 -4.98 118.33 110.20 1xjs n VAL 140 Ca -0.15 -1.14 0.07 0.00 -2.04 0.00 0.00 64.34 61.07 1xjs n VAL 140 Cb 0.49 0.39 -0.02 0.00 -1.47 0.00 0.00 33.84 33.23 1xjs n VAL 140 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xjs n ALA 141 N 0.18 -1.23 -2.58 2.33 0.00 -1.00 -4.92 120.51 113.28 1xjs n ALA 141 Ca 0.11 0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.60 1xjs n ALA 141 Cb 0.46 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 1xjs n ALA 141 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1xjs s LYS 142 N -0.99 1.17 4.98 0.00 -2.85 -1.24 -4.72 119.74 116.09 1xjs s LYS 142 Ca 0.00 -1.31 0.00 0.00 -1.00 0.00 0.00 55.97 53.66 1xjs s LYS 142 Cb 0.00 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 1xjs s LYS 142 CO 0.00 -0.41 0.00 0.39 0.10 0.00 0.00 175.35 175.43 1xjs n GLU 143 N -0.22 0.00 -0.45 1.78 1.02 -0.86 -0.80 120.64 121.10 1xjs n GLU 143 Ca -0.05 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.10 1xjs n GLU 143 Cb 0.63 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.06 1xjs n GLU 143 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xjs n GLU 144 N 0.00 0.09 0.00 3.49 4.71 -1.26 -4.50 120.64 123.17 1xjs n GLU 144 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 57.16 56.07 1xjs n GLU 144 Cb 0.00 -0.56 0.00 0.00 -1.01 0.00 0.00 31.44 29.87 1xjs n GLU 144 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xjs n GLY 145 N -0.09 0.28 5.50 0.62 0.00 0.02 -5.06 105.19 106.46 1xjs n GLY 145 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1xjs n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xjs n GLY 146 N 0.00 2.03 3.94 -0.02 0.00 -1.09 -4.34 105.19 105.71 1xjs n GLY 146 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1xjs n GLY 146 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02