#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 0.01 0.00 7.83 3.41 -1.26 -4.93 113.62 118.68 1xjs n SER 2 Ca 0.00 -2.13 0.03 0.00 -0.26 0.00 0.00 58.87 56.51 1xjs n SER 2 Cb 0.00 0.12 0.16 0.00 -0.26 0.00 0.00 64.21 64.23 1xjs n SER 2 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1xjs n PHE 3 N -1.08 0.00 0.17 7.33 1.16 -1.26 -1.02 117.46 122.76 1xjs n PHE 3 Ca -0.06 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.56 1xjs n PHE 3 Cb 0.84 -0.24 0.44 0.00 -1.61 0.00 0.00 39.48 38.91 1xjs n PHE 3 CO 0.00 0.00 0.00 -0.91 -1.87 0.00 0.00 176.76 173.98 1xjs h ASN 4 N 0.00 0.11 -3.56 5.98 4.21 -2.07 -3.36 115.58 116.90 1xjs h ASN 4 Ca 0.00 -0.02 -0.69 0.00 1.21 0.00 0.00 56.30 56.79 1xjs h ASN 4 Cb 0.05 -0.03 -0.19 0.00 -1.12 0.00 0.00 38.32 37.03 1xjs h ASN 4 CO 0.00 0.30 -0.28 0.00 -1.29 0.00 0.00 177.43 176.15 1xjs s ALA 5 N -4.66 3.45 0.00 -0.83 0.00 -0.19 -5.02 121.76 114.53 1xjs s ALA 5 Ca -0.05 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.41 1xjs s ALA 5 Cb 0.15 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1xjs s ALA 5 CO 0.72 -1.44 0.67 0.09 0.00 0.00 0.00 175.76 175.79 1xjs n ASN 6 N 5.44 0.00 -0.02 0.00 5.03 -1.26 -3.82 115.26 120.63 1xjs n ASN 6 Ca -0.09 0.67 0.08 0.00 0.87 0.00 0.00 54.58 56.11 1xjs n ASN 6 Cb 0.48 -0.17 -0.16 0.00 -1.02 0.00 0.00 39.78 38.91 1xjs n ASN 6 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1xjs n LEU 7 N -1.03 0.00 -0.25 3.41 7.94 -1.26 -4.41 117.00 121.40 1xjs n LEU 7 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 1xjs n LEU 7 Cb 0.00 0.07 0.18 0.00 0.53 0.00 0.00 43.42 44.20 1xjs n LEU 7 CO 0.00 0.07 0.93 0.44 -1.11 0.00 0.00 177.39 177.72 1xjs h ASP 8 N 0.00 0.00 -0.54 1.96 5.19 -1.98 -0.10 116.42 120.95 1xjs h ASP 8 Ca -0.08 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1xjs h ASP 8 Cb 1.16 0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.85 1xjs h ASP 8 CO 0.00 -0.04 0.26 0.74 -3.12 0.00 0.00 179.24 177.08 1xjs h THR 9 N 0.26 1.20 0.13 0.35 2.02 -1.77 -3.02 112.91 112.08 1xjs h THR 9 Ca 0.42 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1xjs h THR 9 Cb 0.71 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1xjs h THR 9 CO -0.52 0.23 -0.06 -0.07 0.37 0.00 0.00 175.52 175.47 1xjs h LEU 10 N 0.73 -0.14 -0.62 2.58 -0.00 -1.32 -2.93 115.31 113.60 1xjs h LEU 10 Ca 0.19 -0.25 -0.13 0.00 -0.00 0.00 0.00 57.88 57.69 1xjs h LEU 10 Cb 0.12 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 1xjs h LEU 10 CO -0.02 0.44 -0.31 0.10 -0.00 0.00 0.00 178.44 178.64 1xjs h TYR 11 N -0.99 0.86 -0.33 1.13 -0.00 -1.29 0.54 116.97 116.90 1xjs h TYR 11 Ca -0.02 -0.23 -0.13 0.00 0.00 0.00 0.00 58.73 58.36 1xjs h TYR 11 Cb 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 36.73 36.91 1xjs h TYR 11 CO 0.07 0.96 -0.31 -0.09 -0.00 0.00 0.00 178.16 178.79 1xjs h ARG 12 N 0.63 0.72 -0.20 0.10 2.43 -1.68 0.13 114.38 116.50 1xjs h ARG 12 Ca 0.07 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 58.87 1xjs h ARG 12 Cb 0.84 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1xjs h ARG 12 CO 0.07 0.93 -0.07 0.37 -1.51 0.00 0.00 179.97 179.76 1xjs h GLN 13 N 0.61 0.40 -0.30 0.20 4.15 -1.20 -1.34 115.11 117.64 1xjs h GLN 13 Ca 0.07 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 1xjs h GLN 13 Cb 0.82 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 1xjs h GLN 13 CO 0.07 0.67 0.13 0.28 -1.93 0.00 0.00 178.83 178.06 1xjs h VAL 14 N 0.11 1.16 -0.42 2.39 2.07 0.31 0.17 116.25 122.04 1xjs h VAL 14 Ca 0.05 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1xjs h VAL 14 Cb 0.54 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1xjs h VAL 14 CO 0.02 0.17 0.13 0.40 0.02 0.00 0.00 177.57 178.32 1xjs h ILE 15 N 0.34 1.22 -0.09 4.57 1.08 -0.78 0.13 117.51 123.99 1xjs h ILE 15 Ca 0.10 -0.72 -0.00 0.00 -0.39 0.00 0.00 64.86 63.85 1xjs h ILE 15 Cb 0.14 0.89 -0.00 0.00 -3.07 0.00 0.00 36.82 34.78 1xjs h ILE 15 CO -0.01 0.26 0.05 -0.03 -0.69 0.00 0.00 178.15 177.72 1xjs h MET 16 N 0.54 0.12 -0.14 2.37 4.05 -1.07 0.92 114.93 121.72 1xjs h MET 16 Ca 0.14 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1xjs h MET 16 Cb 0.26 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1xjs h MET 16 CO -0.00 0.17 0.08 0.22 0.23 0.00 0.00 176.91 177.61 1xjs h ASP 17 N 0.04 0.14 1.24 1.39 3.58 -0.86 -2.12 116.42 119.83 1xjs h ASP 17 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1xjs h ASP 17 Cb 0.09 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1xjs h ASP 17 CO -0.00 0.10 0.00 -0.74 -2.88 0.00 0.00 179.24 175.72 1xjs h HIS 18 N 0.17 0.00 0.01 0.28 2.76 -0.87 -1.79 115.15 115.72 1xjs h HIS 18 Ca 0.05 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 58.02 1xjs h HIS 18 Cb -0.01 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 1xjs h HIS 18 CO -0.08 0.00 -0.91 -0.92 -1.30 0.00 0.00 177.93 174.73 1xjs h TYR 19 N 0.00 0.24 0.00 5.26 3.20 -0.39 -2.86 116.97 122.42 1xjs h TYR 19 Ca 0.00 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.70 1xjs h TYR 19 Cb 0.62 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 1xjs h TYR 19 CO 0.00 0.98 -0.12 -0.22 -1.64 0.00 0.00 178.16 177.15 1xjs h LYS 20 N 0.08 0.00 -2.37 1.82 3.64 -0.71 -3.23 116.57 115.80 1xjs h LYS 20 Ca -0.04 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.71 1xjs h LYS 20 Cb 1.55 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.97 1xjs h LYS 20 CO 0.13 0.12 -0.45 0.09 -2.27 0.00 0.00 179.45 177.08 1xjs n ASN 21 N -3.16 3.96 -1.51 4.20 3.02 -0.75 -5.00 115.26 116.02 1xjs n ASN 21 Ca 0.02 -3.42 0.00 0.00 -0.03 0.00 0.00 54.58 51.16 1xjs n ASN 21 Cb 0.51 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1xjs n ASN 21 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1xjs n PRO 22 N 1.03 0.79 -3.42 3.52 -0.04 -1.09 -4.68 135.00 131.11 1xjs n PRO 22 Ca 0.28 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.30 1xjs n PRO 22 Cb 0.40 -1.10 -0.04 0.00 -0.04 0.00 0.00 33.50 32.71 1xjs n PRO 22 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xjs s ARG 23 N 0.38 3.21 -0.05 0.54 3.00 -1.26 -4.73 118.95 120.05 1xjs s ARG 23 Ca 0.00 -2.30 0.07 0.00 0.00 0.00 0.00 55.73 53.50 1xjs s ARG 23 Cb 0.00 -4.23 0.11 0.00 0.00 0.00 0.00 34.95 30.83 1xjs s ARG 23 CO 0.00 -1.26 0.99 -1.71 0.00 0.00 0.00 175.30 173.32 1xjs n ASN 24 N 4.15 1.58 -3.95 0.23 5.15 -1.26 -4.89 115.26 116.28 1xjs n ASN 24 Ca 0.07 -2.30 -0.30 0.00 -0.60 0.00 0.00 54.58 51.45 1xjs n ASN 24 Cb 0.44 -0.20 -0.12 0.00 -0.53 0.00 0.00 39.78 39.37 1xjs n ASN 24 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1xjs s LYS 25 N -1.45 2.32 -0.16 1.20 1.02 -1.22 -3.97 119.74 117.47 1xjs s LYS 25 Ca 0.12 -2.98 0.01 0.00 0.02 0.00 0.00 55.97 53.15 1xjs s LYS 25 Cb 0.11 -3.44 0.01 0.00 -0.52 0.00 0.00 37.83 33.99 1xjs s LYS 25 CO 0.01 -1.20 -0.20 0.20 -0.92 0.00 0.00 175.35 173.25 1xjs s GLY 26 N -0.72 1.40 -0.31 -3.33 0.00 0.11 -4.91 107.32 99.55 1xjs s GLY 26 Ca 0.21 -1.14 -0.00 0.00 0.00 0.00 0.00 44.72 43.79 1xjs s GLY 26 CO -0.08 0.11 0.09 -1.34 0.00 0.00 0.00 173.10 171.89 1xjs s VAL 27 N 1.02 0.98 0.50 1.40 -7.23 -1.26 -2.19 120.40 113.62 1xjs s VAL 27 Ca -0.02 -1.47 0.07 0.00 -1.81 0.00 0.00 61.98 58.75 1xjs s VAL 27 Cb -0.14 -1.74 0.02 0.00 0.56 0.00 0.00 36.38 35.08 1xjs s VAL 27 CO -0.06 -0.67 0.43 -0.22 -0.31 0.00 0.00 175.10 174.27 1xjs s LEU 28 N 1.57 2.98 -0.32 1.32 2.96 -1.26 -5.07 118.68 120.85 1xjs s LEU 28 Ca 0.10 -1.04 0.05 0.00 -0.22 0.00 0.00 54.13 53.01 1xjs s LEU 28 Cb -0.17 -1.51 0.18 0.00 0.50 0.00 0.00 46.19 45.19 1xjs s LEU 28 CO -0.24 -0.97 0.53 0.54 -1.32 0.00 0.00 176.35 174.89 1xjs s ASN 29 N -4.26 -0.85 0.00 3.68 4.22 -1.26 -4.81 114.94 111.67 1xjs s ASN 29 Ca 0.42 -0.26 0.00 0.00 -2.14 0.00 0.00 52.86 50.88 1xjs s ASN 29 Cb -0.03 1.66 0.00 0.00 1.28 0.00 0.00 41.25 44.16 1xjs s ASN 29 CO 0.25 -0.29 0.00 -0.67 -2.04 0.00 0.00 177.10 174.35 1xjs n ASP 30 N 5.15 0.00 -0.01 3.54 2.03 -1.26 -5.09 116.55 120.91 1xjs n ASP 30 Ca 0.05 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.34 1xjs n ASP 30 Cb 0.53 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.00 0.70 -4.64 1.67 3.41 -1.24 -4.95 113.62 108.58 1xjs n SER 31 Ca 0.00 0.11 -0.41 0.00 -0.26 0.00 0.00 58.87 58.31 1xjs n SER 31 Cb 0.00 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.48 1xjs n SER 31 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1xjs s ILE 32 N -1.67 4.95 -0.38 -1.33 1.01 -1.01 -4.98 121.20 117.78 1xjs s ILE 32 Ca -0.07 1.31 0.01 0.00 0.00 0.00 0.00 60.65 61.89 1xjs s ILE 32 Cb 0.01 -4.00 0.14 0.00 0.01 0.00 0.00 42.46 38.62 1xjs s ILE 32 CO 0.11 0.03 0.22 -0.69 0.00 0.00 0.00 174.94 174.60 1xjs s VAL 33 N 2.38 0.61 -0.30 2.92 1.01 -1.26 -0.90 120.40 124.85 1xjs s VAL 33 Ca 0.30 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.24 1xjs s VAL 33 Cb -0.16 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.81 1xjs s VAL 33 CO 0.09 -0.95 0.04 0.68 0.00 0.00 0.00 175.10 174.96 1xjs s VAL 34 N 0.83 3.45 -0.20 2.92 -7.23 -0.75 -5.02 120.40 114.39 1xjs s VAL 34 Ca 0.18 -1.06 -0.05 0.00 -1.81 0.00 0.00 61.98 59.24 1xjs s VAL 34 Cb -0.23 -2.87 -0.02 0.00 0.56 0.00 0.00 36.38 33.81 1xjs s VAL 34 CO 0.00 -0.02 -0.01 -1.81 -0.31 0.00 0.00 175.10 172.95 1xjs s ASP 35 N 1.37 4.72 -0.14 4.85 1.01 -1.26 -1.65 116.67 125.57 1xjs s ASP 35 Ca -0.01 -0.24 -0.00 0.00 0.71 0.00 0.00 52.55 53.01 1xjs s ASP 35 Cb -0.18 -1.81 0.03 0.00 1.01 0.00 0.00 42.92 41.97 1xjs s ASP 35 CO 0.00 0.05 -0.10 -0.32 0.21 0.00 0.00 175.17 175.02 1xjs s MET 36 N 1.08 1.82 -0.10 8.23 1.75 -1.13 -4.97 119.30 125.98 1xjs s MET 36 Ca 0.02 -0.46 0.02 0.00 -1.25 0.00 0.00 55.69 54.02 1xjs s MET 36 Cb -0.14 -1.92 -0.01 0.00 2.84 0.00 0.00 34.83 35.59 1xjs s MET 36 CO 0.01 -0.30 -0.16 0.54 -0.65 0.00 0.00 175.02 174.46 1xjs s ASN 37 N 1.59 3.77 -0.41 1.11 2.20 -1.26 -2.03 114.94 119.91 1xjs s ASN 37 Ca 0.04 -0.36 -0.10 0.00 -0.94 0.00 0.00 52.86 51.50 1xjs s ASN 37 Cb -0.13 -1.36 0.07 0.00 -2.00 0.00 0.00 41.25 37.83 1xjs s ASN 37 CO -0.09 0.21 0.25 0.21 -2.94 0.00 0.00 177.10 174.74 1xjs s ASN 38 N 0.09 5.67 0.00 3.54 3.84 0.64 -4.94 114.94 123.79 1xjs s ASN 38 Ca -0.07 -1.40 -0.00 0.00 0.21 0.00 0.00 52.86 51.60 1xjs s ASN 38 Cb -0.15 -2.00 -0.00 0.00 -0.55 0.00 0.00 41.25 38.55 1xjs s ASN 38 CO 0.05 -0.51 0.58 -2.65 -2.79 0.00 0.00 177.10 171.78 1xjs n PRO 39 N 4.94 0.29 0.00 0.43 -0.02 -1.26 -1.05 135.00 138.33 1xjs n PRO 39 Ca -0.11 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1xjs n PRO 39 Cb 0.43 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 1xjs n PRO 39 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1xjs n THR 40 N 1.89 0.00 -1.61 3.45 5.66 -1.26 -4.99 114.28 117.42 1xjs n THR 40 Ca 0.00 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 1xjs n THR 40 Cb 0.14 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.96 1xjs n THR 40 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xjs n GLY 42 N -0.41 0.62 0.25 0.00 0.00 -0.21 -4.28 105.19 101.16 1xjs n GLY 42 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1xjs n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xjs n ASP 43 N -0.81 -0.43 -3.76 1.61 8.00 -0.90 -0.26 116.55 120.00 1xjs n ASP 43 Ca -0.11 1.15 -0.13 0.00 0.71 0.00 0.00 54.79 56.41 1xjs n ASP 43 Cb 0.72 -0.26 -0.12 0.00 -0.02 0.00 0.00 41.12 41.44 1xjs n ASP 43 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1xjs s ARG 44 N -5.62 0.27 -0.38 -1.24 3.52 -0.93 -4.22 118.95 110.35 1xjs s ARG 44 Ca -0.09 0.42 0.01 0.00 -0.13 0.00 0.00 55.73 55.94 1xjs s ARG 44 Cb 0.13 0.05 0.12 0.00 -1.56 0.00 0.00 34.95 33.70 1xjs s ARG 44 CO 0.47 -0.08 0.17 -1.50 -0.81 0.00 0.00 175.30 173.55 1xjs s ILE 45 N 0.54 1.17 -0.33 4.11 2.07 -0.86 0.61 121.20 128.50 1xjs s ILE 45 Ca -0.03 -2.03 -0.22 0.00 -1.41 0.00 0.00 60.65 56.95 1xjs s ILE 45 Cb -0.05 -1.85 0.00 0.00 0.13 0.00 0.00 42.46 40.70 1xjs s ILE 45 CO -0.03 -0.80 0.74 -0.60 -1.91 0.00 0.00 174.94 172.35 1xjs s ARG 46 N 0.93 3.85 -0.26 3.50 3.52 0.69 -2.85 118.95 128.33 1xjs s ARG 46 Ca 0.14 0.38 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 1xjs s ARG 46 Cb -0.21 -3.76 0.07 0.00 -1.56 0.00 0.00 34.95 29.49 1xjs s ARG 46 CO -0.10 -0.72 0.01 -1.17 -0.81 0.00 0.00 175.30 172.50 1xjs s LEU 47 N 2.92 2.59 -0.26 -0.88 0.20 -0.66 -0.14 118.68 122.44 1xjs s LEU 47 Ca 0.30 -1.37 0.01 0.00 0.69 0.00 0.00 54.13 53.76 1xjs s LEU 47 Cb -0.14 -1.08 0.05 0.00 -0.43 0.00 0.00 46.19 44.58 1xjs s LEU 47 CO 0.14 -0.31 -0.08 0.42 -0.29 0.00 0.00 176.35 176.23 1xjs s THR 48 N 1.45 2.50 0.29 3.68 -4.23 0.11 -1.82 115.64 117.62 1xjs s THR 48 Ca 0.01 -1.36 0.07 0.00 -1.18 0.00 0.00 61.69 59.23 1xjs s THR 48 Cb -0.18 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 1xjs s THR 48 CO -0.11 0.07 0.30 -0.04 -0.54 0.00 0.00 174.62 174.30 1xjs s MET 49 N 1.21 2.98 -0.27 3.99 -1.94 -0.08 0.44 119.30 125.63 1xjs s MET 49 Ca -0.04 -1.07 -0.01 0.00 -1.71 0.00 0.00 55.69 52.86 1xjs s MET 49 Cb -0.18 -2.64 0.08 0.00 2.01 0.00 0.00 34.83 34.10 1xjs s MET 49 CO -0.05 0.25 0.05 0.21 -0.01 0.00 0.00 175.02 175.47 1xjs s LYS 50 N -3.97 0.91 -0.58 2.03 2.20 0.16 -2.41 119.74 118.08 1xjs s LYS 50 Ca 0.38 -0.93 -0.07 0.00 -0.36 0.00 0.00 55.97 54.99 1xjs s LYS 50 Cb -0.08 -2.20 0.15 0.00 -1.51 0.00 0.00 37.83 34.19 1xjs s LYS 50 CO 0.27 -0.82 0.43 -0.48 -0.36 0.00 0.00 175.35 174.40 1xjs s LEU 51 N 1.60 5.65 -1.26 5.43 2.34 -1.26 -0.15 118.68 131.04 1xjs s LEU 51 Ca 0.04 -2.41 -0.06 0.00 0.06 0.00 0.00 54.13 51.76 1xjs s LEU 51 Cb -0.18 -1.96 0.17 0.00 -0.56 0.00 0.00 46.19 43.66 1xjs s LEU 51 CO -0.16 -0.53 2.11 -0.90 -1.06 0.00 0.00 176.35 175.80 1xjs n ASP 52 N 4.18 7.05 0.00 1.48 5.75 -1.24 -4.66 116.55 129.10 1xjs n ASP 52 Ca 0.02 -3.23 0.00 0.00 -0.01 0.00 0.00 54.79 51.58 1xjs n ASP 52 Cb 0.41 -1.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.14 1xjs n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xjs n GLY 53 N 1.75 0.47 1.44 6.12 0.00 -1.26 -4.82 105.19 108.88 1xjs n GLY 53 Ca 0.51 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 46.38 1xjs n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xjs n ASP 54 N 0.00 0.69 -4.11 1.61 8.00 -1.26 -5.06 116.55 116.42 1xjs n ASP 54 Ca 0.00 -2.00 -0.10 0.00 0.71 0.00 0.00 54.79 53.40 1xjs n ASP 54 Cb 0.00 -0.21 -0.10 0.00 -0.02 0.00 0.00 41.12 40.79 1xjs n ASP 54 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1xjs s ILE 55 N -0.04 0.50 -0.60 0.53 -5.25 -1.26 -0.71 121.20 114.36 1xjs s ILE 55 Ca 0.29 -1.59 -0.22 0.00 -0.99 0.00 0.00 60.65 58.13 1xjs s ILE 55 Cb 0.33 -1.24 0.07 0.00 2.95 0.00 0.00 42.46 44.57 1xjs s ILE 55 CO -0.14 -0.74 0.88 -0.69 -1.79 0.00 0.00 174.94 172.46 1xjs s VAL 56 N -2.90 4.48 -0.08 8.37 1.01 -0.24 -3.72 120.40 127.33 1xjs s VAL 56 Ca 0.03 -0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.47 1xjs s VAL 56 Cb 0.00 -4.57 -0.30 0.00 0.00 0.00 0.00 36.38 31.52 1xjs s VAL 56 CO -0.04 -1.24 0.84 -0.08 0.00 0.00 0.00 175.10 174.58 1xjs h GLU 57 N 9.37 0.21 -3.51 2.72 4.81 -0.81 -3.42 114.58 123.95 1xjs h GLU 57 Ca -0.28 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 58.56 1xjs h GLU 57 Cb 1.08 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 30.51 1xjs h GLU 57 CO 1.12 1.17 -0.04 0.34 -0.73 0.00 0.00 179.01 180.86 1xjs s ASP 58 N -6.76 -0.13 -0.26 1.04 2.15 -0.92 -4.98 116.67 106.81 1xjs s ASP 58 Ca -0.16 -0.84 -0.15 0.00 0.43 0.00 0.00 52.55 51.83 1xjs s ASP 58 Cb -0.00 0.61 0.08 0.00 -0.30 0.00 0.00 42.92 43.31 1xjs s ASP 58 CO 0.79 -1.18 0.64 0.00 -0.17 0.00 0.00 175.17 175.24 1xjs s ALA 59 N -3.99 -1.72 -0.14 3.66 0.00 -1.26 0.36 121.76 118.67 1xjs s ALA 59 Ca 0.19 2.26 -0.01 0.00 0.00 0.00 0.00 51.96 54.40 1xjs s ALA 59 Cb -0.02 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 1xjs s ALA 59 CO 0.08 -0.37 -0.10 0.15 0.00 0.00 0.00 175.76 175.52 1xjs s LYS 60 N 1.62 3.47 -0.07 0.00 -0.14 0.17 -4.92 119.74 119.86 1xjs s LYS 60 Ca -0.10 -0.64 0.02 0.00 -1.36 0.00 0.00 55.97 53.90 1xjs s LYS 60 Cb -0.06 -2.73 0.01 0.00 -1.68 0.00 0.00 37.83 33.38 1xjs s LYS 60 CO -0.19 0.21 -0.13 -0.59 -0.76 0.00 0.00 175.35 173.89 1xjs s PHE 61 N 0.40 1.56 -0.20 3.18 -0.12 -0.93 0.07 117.98 121.94 1xjs s PHE 61 Ca -0.08 -0.61 -0.04 0.00 -0.05 0.00 0.00 56.93 56.14 1xjs s PHE 61 Cb -0.15 -1.15 0.07 0.00 -0.63 0.00 0.00 43.02 41.16 1xjs s PHE 61 CO 0.05 -0.32 0.08 -2.00 -0.05 0.00 0.00 175.22 172.98 1xjs s GLU 62 N 0.76 0.25 -0.05 1.99 2.12 0.80 0.05 118.70 124.62 1xjs s GLU 62 Ca -0.13 -0.27 0.04 0.00 0.36 0.00 0.00 54.97 54.97 1xjs s GLU 62 Cb -0.16 -1.81 -0.02 0.00 0.26 0.00 0.00 34.13 32.40 1xjs s GLU 62 CO 0.03 -0.73 -0.18 0.20 -0.54 0.00 0.00 175.26 174.04 1xjs s GLY 63 N 2.04 1.45 -0.26 -1.50 0.00 -1.26 -0.22 107.32 107.56 1xjs s GLY 63 Ca 0.03 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.72 1xjs s GLY 63 CO -0.14 -0.72 0.06 1.85 0.00 0.00 0.00 173.10 174.15 1xjs s GLU 64 N -0.52 0.77 0.00 2.90 2.12 0.20 -4.78 118.70 119.40 1xjs s GLU 64 Ca 0.07 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.56 1xjs s GLU 64 Cb -0.11 -2.06 0.00 0.00 0.26 0.00 0.00 34.13 32.21 1xjs s GLU 64 CO 0.01 -0.84 0.00 0.41 -0.54 0.00 0.00 175.26 174.30 1xjs n GLY 65 N 4.91 1.02 3.89 -1.50 0.00 -1.26 -2.19 105.19 110.06 1xjs n GLY 65 Ca -0.05 0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 0.49 0.69 -0.14 0.00 0.02 -1.99 -1.60 113.55 111.01 1xjs h SER 67 Ca -0.47 0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.43 1xjs h SER 67 Cb 1.20 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1xjs h SER 67 CO 0.62 0.28 -0.38 0.16 -1.14 0.00 0.00 176.83 176.37 1xjs h ILE 68 N 0.69 1.36 -0.27 3.27 -0.00 -1.93 -2.69 117.51 117.95 1xjs h ILE 68 Ca 0.53 -1.66 -0.17 0.00 -0.00 0.00 0.00 64.86 63.56 1xjs h ILE 68 Cb 0.91 2.03 -0.00 0.00 -0.00 0.00 0.00 36.82 39.76 1xjs h ILE 68 CO -0.29 0.50 -0.51 0.77 -0.00 0.00 0.00 178.15 178.62 1xjs h SER 69 N 0.14 0.83 -0.83 2.16 4.64 -1.75 0.44 113.55 119.17 1xjs h SER 69 Ca -0.01 -0.43 0.01 0.00 -0.47 0.00 0.00 61.79 60.89 1xjs h SER 69 Cb 1.00 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.81 1xjs h SER 69 CO 0.08 1.19 0.55 -0.03 -0.87 0.00 0.00 176.83 177.75 1xjs h MET 70 N 0.59 1.09 0.08 4.77 1.85 -1.38 -2.85 114.93 119.07 1xjs h MET 70 Ca 0.02 -0.07 -0.23 0.00 -0.61 0.00 0.00 59.70 58.82 1xjs h MET 70 Cb 1.09 -0.25 -0.01 0.00 0.43 0.00 0.00 31.60 32.87 1xjs h MET 70 CO 0.11 0.73 -1.16 0.00 -0.40 0.00 0.00 176.91 176.18 1xjs h ALA 71 N 1.48 0.15 -0.58 0.39 0.00 -1.09 -3.31 119.26 116.30 1xjs h ALA 71 Ca 0.30 -1.01 0.07 0.00 0.00 0.00 0.00 54.91 54.28 1xjs h ALA 71 Cb -0.13 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1xjs h ALA 71 CO -0.07 0.67 0.25 1.03 0.00 0.00 0.00 179.25 181.14 1xjs h SER 72 N -0.52 0.31 0.17 0.00 0.87 -0.18 -1.92 113.55 112.28 1xjs h SER 72 Ca -0.26 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.37 1xjs h SER 72 Cb 1.58 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.51 1xjs h SER 72 CO 0.01 0.20 -0.37 0.00 -0.53 0.00 0.00 176.83 176.14 1xjs h ALA 73 N 1.36 -0.68 -0.94 6.23 0.00 -1.66 0.30 119.26 123.86 1xjs h ALA 73 Ca 0.28 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1xjs h ALA 73 Cb 0.27 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1xjs h ALA 73 CO -0.24 -0.94 0.61 0.66 0.00 0.00 0.00 179.25 179.33 1xjs h SER 74 N -0.64 0.99 -0.13 0.00 4.64 -1.53 0.12 113.55 117.01 1xjs h SER 74 Ca 0.02 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.15 1xjs h SER 74 Cb 0.64 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1xjs h SER 74 CO -0.19 0.66 -0.63 -0.03 -0.87 0.00 0.00 176.83 175.76 1xjs h MET 75 N 1.14 0.66 -0.03 4.77 -1.53 -1.01 -2.43 114.93 116.50 1xjs h MET 75 Ca 0.39 -0.54 -0.16 0.00 -3.44 0.00 0.00 59.70 55.96 1xjs h MET 75 Cb 0.08 0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.22 1xjs h MET 75 CO -0.14 1.15 -0.69 0.52 0.14 0.00 0.00 176.91 177.89 1xjs h MET 76 N 0.33 0.16 0.00 0.39 2.86 -0.66 -2.87 114.93 115.14 1xjs h MET 76 Ca -0.04 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1xjs h MET 76 Cb 1.27 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.96 1xjs h MET 76 CO 0.13 0.78 -0.02 1.15 1.06 0.00 0.00 176.91 180.01 1xjs h THR 77 N 0.11 0.05 0.21 2.22 2.02 -0.70 -2.65 112.91 114.18 1xjs h THR 77 Ca -0.02 -0.73 -0.30 0.00 0.77 0.00 0.00 66.41 66.13 1xjs h THR 77 Cb 1.23 1.69 0.03 0.00 -1.74 0.00 0.00 68.15 69.36 1xjs h THR 77 CO 0.10 0.02 -1.35 1.56 0.37 0.00 0.00 175.52 176.22 1xjs h GLN 78 N 0.00 0.45 -0.84 6.66 4.20 -1.22 -1.80 115.11 122.57 1xjs h GLN 78 Ca -0.00 -0.77 -0.02 0.00 0.06 0.00 0.00 58.65 57.91 1xjs h GLN 78 Cb 0.69 0.29 -0.04 0.00 0.30 0.00 0.00 27.48 28.72 1xjs h GLN 78 CO 0.00 1.37 0.43 0.00 -0.67 0.00 0.00 178.83 179.96 1xjs h ALA 79 N 0.12 1.07 0.00 3.87 0.00 -1.48 -2.68 119.26 120.16 1xjs h ALA 79 Ca -0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1xjs h ALA 79 Cb 2.01 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1xjs h ALA 79 CO 0.22 0.61 -0.09 -0.84 0.00 0.00 0.00 179.25 179.16 1xjs h ILE 80 N 1.18 0.15 0.00 0.00 -0.00 -1.50 -3.13 117.51 114.21 1xjs h ILE 80 Ca 0.29 -1.19 -0.01 0.00 -0.00 0.00 0.00 64.86 63.95 1xjs h ILE 80 Cb 0.08 2.05 -0.00 0.00 -0.00 0.00 0.00 36.82 38.94 1xjs h ILE 80 CO -0.04 0.09 -0.06 0.50 -0.00 0.00 0.00 178.15 178.64 1xjs h LYS 81 N 0.00 0.00 -0.65 0.16 3.64 -0.96 -2.88 116.57 115.87 1xjs h LYS 81 Ca -0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 1xjs h LYS 81 Cb 1.04 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.66 1xjs h LYS 81 CO 0.01 0.06 0.26 0.41 -2.27 0.00 0.00 179.45 177.92 1xjs n GLY 82 N -0.47 4.67 0.90 5.01 0.00 -1.18 -4.67 105.19 109.44 1xjs n GLY 82 Ca -0.01 -1.16 -0.06 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.09 0.49 -2.12 1.61 5.02 -1.09 -5.06 118.16 115.92 1xjs n LYS 83 Ca 0.45 -0.93 -0.06 0.00 -2.02 0.00 0.00 58.31 55.76 1xjs n LYS 83 Cb 1.33 0.62 -0.00 0.00 -0.02 0.00 0.00 35.03 36.96 1xjs n LYS 83 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1xjs n ASP 84 N -2.27 1.58 0.04 4.39 5.75 -1.26 -1.07 116.55 123.71 1xjs n ASP 84 Ca 0.00 -1.41 -0.16 0.00 -0.01 0.00 0.00 54.79 53.22 1xjs n ASP 84 Cb 0.17 0.01 -0.14 0.00 -1.03 0.00 0.00 41.12 40.13 1xjs n ASP 84 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1xjs h ILE 85 N 0.66 1.05 -0.11 2.12 1.08 -1.22 -2.57 117.51 118.52 1xjs h ILE 85 Ca -0.08 -2.74 -0.23 0.00 -0.39 0.00 0.00 64.86 61.42 1xjs h ILE 85 Cb 0.26 2.67 0.01 0.00 -3.07 0.00 0.00 36.82 36.70 1xjs h ILE 85 CO 0.12 0.78 -0.85 -0.33 -0.69 0.00 0.00 178.15 177.19 1xjs h GLU 86 N 0.05 0.75 0.00 2.37 5.08 -1.97 0.13 114.58 120.99 1xjs h GLU 86 Ca -0.27 -0.66 -0.05 0.00 -1.00 0.00 0.00 59.36 57.39 1xjs h GLU 86 Cb 2.01 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 31.40 1xjs h GLU 86 CO 0.14 1.26 -0.23 1.15 -1.00 0.00 0.00 179.01 180.33 1xjs h THR 87 N 0.49 0.53 0.01 1.13 2.02 -1.93 -2.32 112.91 112.84 1xjs h THR 87 Ca -0.07 -1.17 -0.22 0.00 0.77 0.00 0.00 66.41 65.72 1xjs h THR 87 Cb 1.48 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1xjs h THR 87 CO 0.17 0.22 -0.93 0.00 0.37 0.00 0.00 175.52 175.35 1xjs h ALA 88 N 1.77 0.41 -0.25 6.16 0.00 -1.09 -0.24 119.26 126.03 1xjs h ALA 88 Ca -0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 54.91 54.10 1xjs h ALA 88 Cb 0.79 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1xjs h ALA 88 CO 0.03 0.88 -0.20 -0.07 0.00 0.00 0.00 179.25 179.89 1xjs h LEU 89 N 0.16 0.44 -0.02 0.00 3.38 -0.43 0.19 115.31 119.03 1xjs h LEU 89 Ca -0.07 -0.13 -0.25 0.00 0.09 0.00 0.00 57.88 57.52 1xjs h LEU 89 Cb 1.58 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1xjs h LEU 89 CO 0.15 0.65 -1.11 0.77 0.09 0.00 0.00 178.44 179.00 1xjs h SER 90 N 0.41 0.48 -0.78 -0.43 4.64 -1.40 0.04 113.55 116.51 1xjs h SER 90 Ca 0.07 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1xjs h SER 90 Cb 0.57 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.48 1xjs h SER 90 CO 0.04 1.30 0.50 -0.03 -0.87 0.00 0.00 176.83 177.76 1xjs h MET 91 N 0.14 1.04 0.00 4.77 1.85 -0.57 0.10 114.93 122.26 1xjs h MET 91 Ca -0.11 -0.07 -0.19 0.00 -0.61 0.00 0.00 59.70 58.71 1xjs h MET 91 Cb 1.79 -0.23 -0.03 0.00 0.43 0.00 0.00 31.60 33.56 1xjs h MET 91 CO 0.19 0.71 -1.13 0.66 -0.40 0.00 0.00 176.91 176.93 1xjs h SER 92 N 1.06 0.00 0.19 1.39 4.64 -0.64 0.22 113.55 120.41 1xjs h SER 92 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1xjs h SER 92 Cb -0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 1xjs h SER 92 CO -0.06 0.77 -0.18 0.50 -0.87 0.00 0.00 176.83 176.99 1xjs h LYS 93 N 0.00 -0.39 0.00 4.77 1.63 -0.53 0.72 116.57 122.78 1xjs h LYS 93 Ca -0.11 0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.67 1xjs h LYS 93 Cb 1.68 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 33.39 1xjs h LYS 93 CO 0.08 -0.26 -0.22 -0.84 -3.45 0.00 0.00 179.45 174.76 1xjs h ILE 94 N -0.40 0.44 0.00 2.00 3.07 -1.01 -0.44 117.51 121.18 1xjs h ILE 94 Ca 0.00 -1.32 -0.07 0.00 1.55 0.00 0.00 64.86 65.02 1xjs h ILE 94 Cb 0.38 1.97 -0.01 0.00 -0.27 0.00 0.00 36.82 38.88 1xjs h ILE 94 CO -0.04 0.22 -0.33 0.15 -1.05 0.00 0.00 178.15 177.09 1xjs h PHE 95 N 0.00 0.00 0.00 0.16 3.57 -0.12 0.37 116.94 120.92 1xjs h PHE 95 Ca -0.00 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 1xjs h PHE 95 Cb 0.95 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 1xjs h PHE 95 CO 0.00 0.33 -1.08 0.77 -2.23 0.00 0.00 178.31 176.10 1xjs h SER 96 N 0.00 0.00 1.46 0.41 0.02 -0.37 -3.35 113.55 111.72 1xjs h SER 96 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xjs h SER 96 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1xjs h SER 96 CO 0.04 0.66 -0.35 0.44 -1.14 0.00 0.00 176.83 176.48 1xjs h ASP 97 N 0.00 0.00 0.00 3.07 3.32 -0.28 -3.36 116.42 119.17 1xjs h ASP 97 Ca -0.10 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1xjs h ASP 97 Cb 1.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.14 1xjs h ASP 97 CO 0.07 0.02 0.37 0.00 -1.72 0.00 0.00 179.24 177.97 1xjs h MET 98 N 0.00 0.00 0.27 3.56 -0.00 -0.39 0.85 114.93 119.21 1xjs h MET 98 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1xjs h MET 98 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.51 1xjs h MET 98 CO 0.00 0.00 -0.13 1.98 -0.00 0.00 0.00 176.91 178.76 1xjs h MET 99 N 0.00 -0.34 0.00 -0.10 1.85 -1.86 -3.24 114.93 111.24 1xjs h MET 99 Ca 0.00 0.02 -0.33 0.00 -0.61 0.00 0.00 59.70 58.78 1xjs h MET 99 Cb 0.73 0.08 -0.06 0.00 0.43 0.00 0.00 31.60 32.78 1xjs h MET 99 CO 0.00 -0.14 -2.20 0.94 -0.40 0.00 0.00 176.91 175.11 1xjs n GLN 100 N -5.01 0.50 -0.06 0.39 7.27 -0.64 -4.45 117.38 115.38 1xjs n GLN 100 Ca -0.06 0.15 -0.08 0.00 0.07 0.00 0.00 57.00 57.08 1xjs n GLN 100 Cb 0.19 -1.37 0.09 0.00 2.41 0.00 0.00 30.24 31.56 1xjs n GLN 100 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1xjs h GLY 101 N 0.74 0.78 -1.30 1.69 0.00 0.24 -3.47 103.07 101.75 1xjs h GLY 101 Ca -0.50 -0.71 -0.20 0.00 0.00 0.00 0.00 47.33 45.92 1xjs h GLY 101 CO -0.17 0.64 -0.25 1.17 0.00 0.00 0.00 176.54 177.93 1xjs n LYS 102 N -4.08 -0.79 -3.99 4.80 4.81 0.90 -4.90 118.16 114.89 1xjs n LYS 102 Ca -0.01 0.54 -0.29 0.00 -0.87 0.00 0.00 58.31 57.69 1xjs n LYS 102 Cb 0.47 -4.59 -0.05 0.00 0.02 0.00 0.00 35.03 30.88 1xjs n LYS 102 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1xjs s GLU 103 N -4.26 3.19 0.15 1.64 2.02 -1.26 -4.89 118.70 115.29 1xjs s GLU 103 Ca 0.00 -0.63 -0.05 0.00 0.02 0.00 0.00 54.97 54.30 1xjs s GLU 103 Cb 0.00 -2.86 -0.02 0.00 0.10 0.00 0.00 34.13 31.35 1xjs s GLU 103 CO 0.00 0.55 0.18 0.71 0.02 0.00 0.00 175.26 176.72 1xjs s TYR 104 N -1.59 0.65 -1.24 1.61 1.51 -1.26 -3.83 117.35 113.19 1xjs s TYR 104 Ca 0.33 -1.01 -0.20 0.00 -1.01 0.00 0.00 57.07 55.18 1xjs s TYR 104 Cb -0.12 -0.27 -0.00 0.00 -0.11 0.00 0.00 41.96 41.46 1xjs s TYR 104 CO 0.26 -0.63 1.85 -3.47 -1.11 0.00 0.00 175.55 172.44 1xjs n ASP 105 N -0.17 4.04 -0.68 2.29 2.03 -1.26 -3.07 116.55 119.73 1xjs n ASP 105 Ca -0.06 -2.82 -0.06 0.00 0.52 0.00 0.00 54.79 52.37 1xjs n ASP 105 Cb 0.63 -1.72 -0.01 0.00 -0.72 0.00 0.00 41.12 39.31 1xjs n ASP 105 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1xjs n ASP 106 N 10.70 -2.86 -2.82 1.67 2.03 -1.26 -2.55 116.55 121.47 1xjs n ASP 106 Ca 0.47 0.04 -0.14 0.00 0.52 0.00 0.00 54.79 55.68 1xjs n ASP 106 Cb 0.46 -1.87 0.07 0.00 -0.72 0.00 0.00 41.12 39.05 1xjs n ASP 106 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1xjs n SER 107 N 0.81 -2.93 -0.11 1.67 2.88 -1.17 -4.97 113.62 109.79 1xjs n SER 107 Ca -0.07 -0.45 -0.21 0.00 -1.33 0.00 0.00 58.87 56.81 1xjs n SER 107 Cb 0.47 -3.94 -0.09 0.00 -0.75 0.00 0.00 64.21 59.90 1xjs n SER 107 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xjs n ILE 108 N -3.63 1.27 -1.97 2.46 -0.00 -1.06 -4.86 119.36 111.57 1xjs n ILE 108 Ca -0.15 -0.38 -0.34 0.00 -0.00 0.00 0.00 62.75 61.88 1xjs n ILE 108 Cb 0.60 -1.61 -0.04 0.00 -0.00 0.00 0.00 39.64 38.60 1xjs n ILE 108 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 1xjs s ASP 109 N -6.72 5.08 0.20 4.38 1.11 -1.26 -4.31 116.67 115.16 1xjs s ASP 109 Ca -0.31 0.11 0.00 0.00 0.18 0.00 0.00 52.55 52.53 1xjs s ASP 109 Cb 0.11 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.56 1xjs s ASP 109 CO 0.44 -2.61 0.00 0.18 1.18 0.00 0.00 175.17 174.37 1xjs n LEU 110 N 13.71 -1.07 0.10 1.23 4.77 -1.26 -4.82 117.00 129.66 1xjs n LEU 110 Ca 0.29 0.37 -0.03 0.00 -0.03 0.00 0.00 56.01 56.61 1xjs n LEU 110 Cb 0.50 1.16 0.19 0.00 -2.33 0.00 0.00 43.42 42.95 1xjs n LEU 110 CO 0.67 -0.40 0.58 1.23 -1.33 0.00 0.00 177.39 178.14 1xjs h GLY 111 N 0.00 0.22 0.96 -0.72 0.00 -1.99 -2.08 103.07 99.46 1xjs h GLY 111 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1xjs h GLY 111 CO 0.00 0.21 0.20 1.29 0.00 0.00 0.00 176.54 178.24 1xjs h ASP 112 N 0.16 0.46 -0.82 0.19 2.03 -1.91 -2.09 116.42 114.43 1xjs h ASP 112 Ca 0.01 -0.09 0.05 0.00 -0.73 0.00 0.00 57.03 56.26 1xjs h ASP 112 Cb 0.93 -0.12 -0.05 0.00 -0.83 0.00 0.00 39.33 39.27 1xjs h ASP 112 CO 0.07 0.42 0.54 0.40 -1.03 0.00 0.00 179.24 179.64 1xjs h ILE 113 N 0.46 1.09 -0.56 4.15 2.04 -1.81 -1.63 117.51 121.25 1xjs h ILE 113 Ca 0.13 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1xjs h ILE 113 Cb 0.07 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 1xjs h ILE 113 CO -0.02 0.17 0.29 -0.33 0.00 0.00 0.00 178.15 178.26 1xjs h GLU 114 N 0.96 0.77 -0.05 2.37 4.39 -0.74 0.14 114.58 122.42 1xjs h GLU 114 Ca 0.34 -0.08 -0.12 0.00 0.34 0.00 0.00 59.36 59.83 1xjs h GLU 114 Cb 0.14 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1xjs h GLU 114 CO -0.11 0.58 -0.54 0.00 -1.16 0.00 0.00 179.01 177.77 1xjs h ALA 115 N 1.55 1.01 0.00 3.43 0.00 -0.70 -3.15 119.26 121.40 1xjs h ALA 115 Ca 0.20 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1xjs h ALA 115 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1xjs h ALA 115 CO -0.03 0.68 -1.21 1.28 0.00 0.00 0.00 179.25 179.98 1xjs n LEU 116 N -3.91 0.74 -0.27 0.00 4.77 -0.87 -4.44 117.00 113.02 1xjs n LEU 116 Ca -0.02 0.29 0.21 0.00 -0.03 0.00 0.00 56.01 56.46 1xjs n LEU 116 Cb 0.56 -0.02 0.52 0.00 -2.33 0.00 0.00 43.42 42.15 1xjs n LEU 116 CO 0.42 -0.10 1.23 0.06 -1.33 0.00 0.00 177.39 177.67 1xjs h GLN 117 N 0.00 0.38 -0.15 3.23 3.07 -0.69 -0.10 115.11 120.86 1xjs h GLN 117 Ca -0.03 -0.02 -0.17 0.00 0.09 0.00 0.00 58.65 58.51 1xjs h GLN 117 Cb 1.11 -0.09 0.01 0.00 0.08 0.00 0.00 27.48 28.59 1xjs h GLN 117 CO 0.01 0.25 -0.57 0.78 0.09 0.00 0.00 178.83 179.39 1xjs h GLY 118 N 0.39 0.71 1.37 0.06 0.00 -1.78 -3.27 103.07 100.56 1xjs h GLY 118 Ca 0.51 -0.96 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1xjs h GLY 118 CO -0.21 0.86 -0.57 -0.39 0.00 0.00 0.00 176.54 176.22 1xjs h VAL 119 N 0.31 0.00 0.00 4.60 -1.51 -1.48 -3.40 116.25 114.77 1xjs h VAL 119 Ca -0.03 -0.83 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1xjs h VAL 119 Cb 1.20 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 1xjs h VAL 119 CO 0.12 0.00 0.32 0.28 -1.23 0.00 0.00 177.57 177.06 1xjs h SER 120 N 0.00 0.00 0.00 4.19 0.02 -1.13 -2.87 113.55 113.76 1xjs h SER 120 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xjs h SER 120 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1xjs h SER 120 CO 0.00 0.00 0.00 2.29 -1.14 0.00 0.00 176.83 177.98 1xjs n LYS 121 N -2.62 0.00 -3.02 3.45 -0.00 -1.26 -4.87 118.16 109.84 1xjs n LYS 121 Ca -0.02 -0.03 -0.40 0.00 -0.00 0.00 0.00 58.31 57.86 1xjs n LYS 121 Cb 0.36 -0.07 -0.05 0.00 -0.00 0.00 0.00 35.03 35.28 1xjs n LYS 121 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1xjs s PHE 122 N 0.00 3.66 0.12 5.58 0.08 -1.23 -4.92 117.98 121.27 1xjs s PHE 122 Ca 0.00 1.37 0.20 0.00 0.12 0.00 0.00 56.93 58.62 1xjs s PHE 122 Cb 0.00 -2.80 1.11 0.00 -0.57 0.00 0.00 43.02 40.76 1xjs s PHE 122 CO 0.00 0.20 1.58 -1.00 -0.10 0.00 0.00 175.22 175.89 1xjs h PRO 123 N 6.14 0.00 0.00 0.24 0.13 -1.98 0.33 132.00 136.87 1xjs h PRO 123 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1xjs h PRO 123 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xjs h PRO 123 CO 0.73 0.00 -0.97 0.00 -0.23 0.00 0.00 178.00 177.53 1xjs n ALA 124 N -1.71 3.99 -0.19 -0.56 0.00 -1.26 -4.50 120.51 116.28 1xjs n ALA 124 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1xjs n ALA 124 Cb 0.24 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.52 -0.38 0.15 0.00 1.74 0.83 -4.71 116.66 112.77 1xjs n ARG 125 Ca 0.02 -0.53 0.04 0.00 -0.77 0.00 0.00 57.85 56.61 1xjs n ARG 125 Cb 0.30 -0.91 0.05 0.00 -1.02 0.00 0.00 32.46 30.88 1xjs n ARG 125 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1xjs h ILE 126 N 0.24 0.78 0.00 0.55 2.10 -0.35 -1.35 117.51 119.48 1xjs h ILE 126 Ca 0.00 -2.07 0.00 0.00 1.08 0.00 0.00 64.86 63.87 1xjs h ILE 126 Cb 0.16 2.37 0.00 0.00 -1.09 0.00 0.00 36.82 38.26 1xjs h ILE 126 CO 0.00 0.44 0.00 0.11 -1.08 0.00 0.00 178.15 177.62 1xjs h LYS 127 N 0.00 0.00 0.00 2.19 1.79 -1.84 0.77 116.57 119.48 1xjs h LYS 127 Ca -0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 1xjs h LYS 127 Cb 1.33 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.96 1xjs h LYS 127 CO 0.06 0.00 -0.96 0.00 -1.08 0.00 0.00 179.45 177.47 1xjs h ALA 129 N 1.55 0.08 -0.01 0.00 0.00 -0.63 -2.20 119.26 118.06 1xjs h ALA 129 Ca -0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1xjs h ALA 129 Cb 1.41 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1xjs h ALA 129 CO 0.05 -0.03 -0.05 1.15 0.00 0.00 0.00 179.25 180.37 1xjs h THR 130 N -0.35 1.04 0.33 0.00 2.02 -0.99 -0.68 112.91 114.28 1xjs h THR 130 Ca -0.00 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1xjs h THR 130 Cb 0.72 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1xjs h THR 130 CO 0.03 0.05 -0.16 0.25 0.37 0.00 0.00 175.52 176.06 1xjs h LEU 131 N 0.01 -0.37 -0.24 2.58 6.46 -1.31 -2.27 115.31 120.17 1xjs h LEU 131 Ca 0.00 0.01 -0.14 0.00 -0.12 0.00 0.00 57.88 57.63 1xjs h LEU 131 Cb 0.09 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.11 1xjs h LEU 131 CO 0.01 -0.27 -0.40 -1.28 -0.62 0.00 0.00 178.44 175.88 1xjs h SER 132 N -0.44 0.77 0.33 1.25 0.87 -1.27 -2.07 113.55 112.99 1xjs h SER 132 Ca -0.04 -0.53 -0.02 0.00 -1.23 0.00 0.00 61.79 59.97 1xjs h SER 132 Cb 0.34 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1xjs h SER 132 CO 0.07 1.15 -0.16 -0.25 -0.53 0.00 0.00 176.83 177.12 1xjs h TRP 133 N 0.42 -0.41 0.00 2.24 7.01 -1.26 -2.98 115.95 120.97 1xjs h TRP 133 Ca 0.02 -0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 1xjs h TRP 133 Cb 1.00 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 28.19 1xjs h TRP 133 CO 0.08 -0.07 -0.26 -0.22 -2.79 0.00 0.00 178.44 175.19 1xjs h LYS 134 N -0.84 0.00 -0.64 2.65 3.64 -1.49 -1.69 116.57 118.20 1xjs h LYS 134 Ca -0.04 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 1xjs h LYS 134 Cb 0.52 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1xjs h LYS 134 CO 0.07 0.26 0.12 0.00 -2.27 0.00 0.00 179.45 177.63 1xjs h ALA 135 N 1.74 0.99 0.01 5.00 0.00 -1.37 0.17 119.26 125.80 1xjs h ALA 135 Ca -0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 1xjs h ALA 135 Cb 0.68 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xjs h ALA 135 CO 0.03 0.64 -0.66 1.25 0.00 0.00 0.00 179.25 180.51 1xjs h LEU 136 N 0.98 0.57 -1.93 0.00 5.85 -1.26 -3.07 115.31 116.45 1xjs h LEU 136 Ca 0.20 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1xjs h LEU 136 Cb 0.41 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1xjs h LEU 136 CO 0.01 1.27 0.00 -0.33 -0.34 0.00 0.00 178.44 179.05 1xjs h GLU 137 N -0.06 0.00 0.00 1.25 4.39 -1.24 -1.59 114.58 117.33 1xjs h GLU 137 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1xjs h GLU 137 Cb 1.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1xjs h GLU 137 CO 0.13 0.00 -0.37 1.17 -1.16 0.00 0.00 179.01 178.78 1xjs n LYS 138 N -3.05 0.27 0.05 2.33 4.81 0.58 -2.14 118.16 121.00 1xjs n LYS 138 Ca -0.01 0.13 -0.02 0.00 -0.87 0.00 0.00 58.31 57.55 1xjs n LYS 138 Cb 0.23 -1.72 -0.01 0.00 0.02 0.00 0.00 35.03 33.54 1xjs n LYS 138 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1xjs h GLY 139 N 4.54 -0.14 -1.97 3.14 0.00 -1.19 -3.36 103.07 104.08 1xjs h GLY 139 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1xjs h GLY 139 CO 0.00 -0.05 0.00 3.33 0.00 0.00 0.00 176.54 179.82 1xjs n VAL 140 N -2.56 0.56 -0.52 4.60 0.24 -1.25 -4.98 118.33 114.41 1xjs n VAL 140 Ca -0.02 -0.78 0.06 0.00 -2.04 0.00 0.00 64.34 61.57 1xjs n VAL 140 Cb 0.05 0.90 -0.03 0.00 -1.47 0.00 0.00 33.84 33.29 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 1.22 -1.37 -2.41 2.33 0.00 -0.91 -4.87 120.51 114.50 1xjs n ALA 141 Ca 0.17 0.32 -0.28 0.00 0.00 0.00 0.00 53.44 53.65 1xjs n ALA 141 Cb 0.53 -0.56 -0.13 0.00 0.00 0.00 0.00 19.45 19.29 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 -3.25 1.45 2.60 0.00 -2.85 -1.21 -4.63 119.74 111.85 1xjs s LYS 142 Ca 0.00 -1.24 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 1xjs s LYS 142 Cb 0.00 -1.81 0.00 0.00 -2.06 0.00 0.00 37.83 33.96 1xjs s LYS 142 CO 0.00 0.44 0.00 0.39 0.10 0.00 0.00 175.35 176.28 1xjs n GLU 143 N 1.20 0.00 -2.15 1.78 1.02 -0.87 -3.90 120.64 117.71 1xjs n GLU 143 Ca -0.18 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.66 1xjs n GLU 143 Cb 0.53 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.90 1xjs n GLU 143 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xjs s GLU 144 N 0.00 2.75 -0.13 3.49 8.01 -1.26 -4.70 118.70 126.87 1xjs s GLU 144 Ca 0.00 -0.71 -0.23 0.00 0.01 0.00 0.00 54.97 54.05 1xjs s GLU 144 Cb 0.00 -5.17 -0.03 0.00 -4.31 0.00 0.00 34.13 24.62 1xjs s GLU 144 CO 0.00 -3.32 0.68 0.20 0.01 0.00 0.00 175.26 172.84 1xjs s GLY 145 N 7.05 2.35 0.77 -1.39 0.00 -1.25 -5.06 107.32 109.78 1xjs s GLY 145 Ca 0.66 -0.03 -0.11 0.00 0.00 0.00 0.00 44.72 45.24 1xjs s GLY 145 CO 0.02 1.27 1.13 -0.32 0.00 0.00 0.00 173.10 175.20 1xjs s GLY 146 N 0.96 1.61 0.00 0.20 0.00 -1.26 -5.09 107.32 103.74 1xjs s GLY 146 Ca 0.34 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1xjs s GLY 146 CO 0.14 -0.22 0.00 1.16 0.00 0.00 0.00 173.10 174.19