#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjs s SER 2 N 0.00 5.56 -0.39 7.83 0.01 -1.26 -4.73 113.70 120.72 1xjs s SER 2 Ca 0.00 -1.56 0.03 0.00 1.31 0.00 0.00 55.95 55.73 1xjs s SER 2 Cb 0.00 -2.58 0.16 0.00 0.21 0.00 0.00 66.02 63.81 1xjs s SER 2 CO 0.00 -2.47 0.38 0.12 0.41 0.00 0.00 173.24 171.68 1xjs s PHE 3 N 8.85 0.04 -0.07 2.43 5.36 -1.26 -4.99 117.98 128.34 1xjs s PHE 3 Ca 0.64 -1.27 -0.01 0.00 -0.96 0.00 0.00 56.93 55.32 1xjs s PHE 3 Cb -0.01 -0.52 -0.04 0.00 -0.34 0.00 0.00 43.02 42.11 1xjs s PHE 3 CO 0.06 -0.95 -0.08 0.09 -1.46 0.00 0.00 175.22 172.89 1xjs n ASN 4 N 3.74 2.26 -3.66 6.13 4.13 -1.26 -5.07 115.26 121.54 1xjs n ASN 4 Ca 0.16 0.02 -0.13 0.00 1.68 0.00 0.00 54.58 56.31 1xjs n ASN 4 Cb 0.46 -0.15 -0.08 0.00 -1.54 0.00 0.00 39.78 38.46 1xjs n ASN 4 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xjs s ALA 5 N -2.14 -1.59 0.00 5.41 0.00 -1.26 -4.96 121.76 117.22 1xjs s ALA 5 Ca -0.10 1.87 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1xjs s ALA 5 Cb 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 22.06 1xjs s ALA 5 CO 0.15 -0.31 0.00 -1.71 0.00 0.00 0.00 175.76 173.89 1xjs n ASN 6 N 3.01 0.00 0.00 0.00 5.15 -1.26 -5.06 115.26 117.10 1xjs n ASN 6 Ca -0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 1xjs n ASN 6 Cb 0.56 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 1xjs n ASN 6 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1xjs n LEU 7 N -1.04 0.00 -0.16 1.20 7.94 -1.26 -4.84 117.00 118.84 1xjs n LEU 7 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1xjs n LEU 7 Cb 0.00 0.01 0.06 0.00 0.53 0.00 0.00 43.42 44.02 1xjs n LEU 7 CO 0.00 -0.17 0.96 -0.78 -1.11 0.00 0.00 177.39 176.29 1xjs h ASP 8 N 0.00 0.16 -0.43 1.96 3.58 -1.99 -1.02 116.42 118.68 1xjs h ASP 8 Ca 0.00 0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.54 1xjs h ASP 8 Cb 0.00 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1xjs h ASP 8 CO 0.00 0.12 0.29 0.74 -2.88 0.00 0.00 179.24 177.51 1xjs h THR 9 N 0.34 1.04 0.01 2.25 2.02 -1.93 -0.89 112.91 115.75 1xjs h THR 9 Ca 0.23 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 1xjs h THR 9 Cb 0.25 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1xjs h THR 9 CO -0.24 0.09 -0.00 -0.07 0.37 0.00 0.00 175.52 175.66 1xjs h LEU 10 N 0.48 -0.01 -0.82 2.58 3.38 -1.56 -3.02 115.31 116.34 1xjs h LEU 10 Ca 0.17 -0.75 0.09 0.00 0.09 0.00 0.00 57.88 57.49 1xjs h LEU 10 Cb 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 1xjs h LEU 10 CO -0.04 0.75 0.47 1.88 0.09 0.00 0.00 178.44 181.59 1xjs h TYR 11 N -0.78 0.85 -0.69 1.13 0.05 -1.01 0.54 116.97 117.07 1xjs h TYR 11 Ca -0.00 0.03 0.13 0.00 0.05 0.00 0.00 58.73 58.94 1xjs h TYR 11 Cb 0.76 -0.26 -0.09 0.00 1.01 0.00 0.00 36.73 38.14 1xjs h TYR 11 CO 0.19 0.35 0.22 -0.09 -1.05 0.00 0.00 178.16 177.77 1xjs h ARG 12 N 0.79 0.34 -0.11 4.88 2.43 -1.20 0.28 114.38 121.79 1xjs h ARG 12 Ca 0.40 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.38 1xjs h ARG 12 Cb 0.36 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1xjs h ARG 12 CO -0.25 0.22 -0.57 0.37 -1.51 0.00 0.00 179.97 178.24 1xjs h GLN 13 N 0.35 0.59 -0.20 0.20 4.15 -0.97 -2.82 115.11 116.40 1xjs h GLN 13 Ca 0.37 -0.48 0.02 0.00 0.77 0.00 0.00 58.65 59.33 1xjs h GLN 13 Cb 0.56 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 1xjs h GLN 13 CO -0.41 1.10 0.08 0.28 -1.93 0.00 0.00 178.83 177.95 1xjs h VAL 14 N 0.22 0.97 0.00 2.39 2.07 0.11 -1.48 116.25 120.54 1xjs h VAL 14 Ca -0.04 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1xjs h VAL 14 Cb 1.21 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1xjs h VAL 14 CO 0.12 0.03 -0.08 0.16 0.02 0.00 0.00 177.57 177.82 1xjs h ILE 15 N 0.19 0.17 -0.10 4.57 -0.00 -0.58 -2.54 117.51 119.22 1xjs h ILE 15 Ca 0.08 -0.90 -0.15 0.00 -0.00 0.00 0.00 64.86 63.90 1xjs h ILE 15 Cb 0.04 1.77 0.01 0.00 -0.00 0.00 0.00 36.82 38.63 1xjs h ILE 15 CO -0.07 0.08 -0.53 0.24 -0.00 0.00 0.00 178.15 177.87 1xjs h MET 16 N 0.00 0.54 -0.64 0.16 2.86 -1.13 -0.77 114.93 115.94 1xjs h MET 16 Ca -0.00 -0.44 -0.07 0.00 -2.06 0.00 0.00 59.70 57.12 1xjs h MET 16 Cb 0.76 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 1xjs h MET 16 CO 0.01 1.07 0.12 0.22 1.06 0.00 0.00 176.91 179.39 1xjs h ASP 17 N 0.14 0.99 1.57 1.22 3.58 -1.18 -1.99 116.42 120.76 1xjs h ASP 17 Ca -0.04 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1xjs h ASP 17 Cb 1.18 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1xjs h ASP 17 CO 0.11 0.98 0.00 -0.74 -2.88 0.00 0.00 179.24 176.71 1xjs h HIS 18 N 0.98 0.00 -0.23 0.28 2.76 -1.49 -2.17 115.15 115.28 1xjs h HIS 18 Ca 0.20 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 58.17 1xjs h HIS 18 Cb 0.40 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.37 1xjs h HIS 18 CO 0.03 0.00 -0.63 -0.92 -1.30 0.00 0.00 177.93 175.11 1xjs h TYR 19 N 0.00 1.04 0.00 5.26 3.20 -0.45 -2.94 116.97 123.08 1xjs h TYR 19 Ca 0.00 -0.40 0.00 0.00 3.14 0.00 0.00 58.73 61.47 1xjs h TYR 19 Cb 0.79 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.87 1xjs h TYR 19 CO 0.00 1.23 0.00 0.87 -1.64 0.00 0.00 178.16 178.62 1xjs h LYS 20 N 0.60 0.00 -3.13 1.82 1.79 -1.12 -3.33 116.57 113.19 1xjs h LYS 20 Ca -0.01 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.83 1xjs h LYS 20 Cb 1.24 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.47 1xjs h LYS 20 CO 0.13 0.00 -0.55 -0.80 -1.08 0.00 0.00 179.45 177.15 1xjs s ASN 21 N -5.79 4.85 -0.00 0.86 0.01 -0.84 -4.95 114.94 109.08 1xjs s ASN 21 Ca 0.02 -3.76 0.00 0.00 -0.71 0.00 0.00 52.86 48.41 1xjs s ASN 21 Cb 0.08 -1.66 0.01 0.00 0.41 0.00 0.00 41.25 40.09 1xjs s ASN 21 CO 0.57 -0.11 0.54 -0.81 -1.51 0.00 0.00 177.10 175.78 1xjs n PRO 22 N 2.11 1.04 -3.07 -0.60 -0.04 -1.22 -4.65 135.00 128.56 1xjs n PRO 22 Ca 0.18 -0.03 -0.45 0.00 -0.04 0.00 0.00 63.50 63.17 1xjs n PRO 22 Cb 0.35 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 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 -0.97 3.32 -0.18 0.54 3.00 -1.26 -4.78 118.95 118.62 1xjs s ARG 23 Ca 0.01 -1.61 0.15 0.00 0.00 0.00 0.00 55.73 54.27 1xjs s ARG 23 Cb 0.00 -4.49 0.38 0.00 0.00 0.00 0.00 34.95 30.85 1xjs s ARG 23 CO 0.00 -1.59 1.23 -1.71 0.00 0.00 0.00 175.30 173.23 1xjs n ASN 24 N 6.11 2.30 -3.69 0.23 5.15 -1.26 -4.92 115.26 119.17 1xjs n ASN 24 Ca 0.05 -3.43 -0.24 0.00 -0.60 0.00 0.00 54.58 50.36 1xjs n ASN 24 Cb 0.46 -0.50 -0.17 0.00 -0.53 0.00 0.00 39.78 39.04 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 -3.04 0.31 -0.24 1.20 1.02 -1.14 -1.88 119.74 115.98 1xjs s LYS 25 Ca 0.36 -0.03 -0.16 0.00 0.02 0.00 0.00 55.97 56.16 1xjs s LYS 25 Cb 0.33 -1.44 0.07 0.00 -0.52 0.00 0.00 37.83 36.27 1xjs s LYS 25 CO -0.00 -0.51 0.61 0.20 -0.92 0.00 0.00 175.35 174.73 1xjs s GLY 26 N 2.04 -0.52 -0.24 -3.33 0.00 -1.24 -4.83 107.32 99.19 1xjs s GLY 26 Ca 0.03 2.02 -0.02 0.00 0.00 0.00 0.00 44.72 46.74 1xjs s GLY 26 CO -0.07 1.97 0.07 0.54 0.00 0.00 0.00 173.10 175.61 1xjs s VAL 27 N 1.17 0.55 -0.79 1.40 0.11 -1.26 -3.35 120.40 118.23 1xjs s VAL 27 Ca -0.07 -0.85 0.02 0.00 -2.93 0.00 0.00 61.98 58.16 1xjs s VAL 27 Cb -0.06 -1.22 0.20 0.00 -1.53 0.00 0.00 36.38 33.77 1xjs s VAL 27 CO -0.12 -0.43 0.65 -0.11 -3.33 0.00 0.00 175.10 171.77 1xjs n LEU 28 N 5.01 3.63 -0.17 2.54 0.00 -1.26 -4.91 117.00 121.85 1xjs n LEU 28 Ca -0.06 -5.20 0.03 0.00 0.00 0.00 0.00 56.01 50.78 1xjs n LEU 28 Cb 0.45 -0.90 0.15 0.00 0.00 0.00 0.00 43.42 43.11 1xjs n LEU 28 CO 0.11 1.70 0.60 -3.20 0.00 0.00 0.00 177.39 176.60 1xjs n ASN 29 N 2.00 0.49 -0.78 1.96 5.15 -1.26 -3.62 115.26 119.20 1xjs n ASN 29 Ca 0.21 -1.89 0.11 0.00 -0.60 0.00 0.00 54.58 52.42 1xjs n ASN 29 Cb 0.36 -0.06 0.31 0.00 -0.53 0.00 0.00 39.78 39.87 1xjs n ASN 29 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1xjs n ASP 30 N -0.28 2.36 0.00 1.20 8.00 -1.26 -4.84 116.55 121.73 1xjs n ASP 30 Ca 0.06 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.75 1xjs n ASP 30 Cb 0.09 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1xjs n ASP 30 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1xjs n SER 31 N 0.79 0.00 -4.70 -2.24 7.64 -1.24 -5.08 113.62 108.79 1xjs n SER 31 Ca 0.17 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.64 1xjs n SER 31 Cb 0.45 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.61 1xjs n SER 31 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1xjs s ILE 32 N 1.43 4.95 -0.31 0.44 1.01 0.42 -4.93 121.20 124.21 1xjs s ILE 32 Ca 0.00 1.69 0.00 0.00 0.00 0.00 0.00 60.65 62.35 1xjs s ILE 32 Cb 0.00 -4.16 0.10 0.00 0.01 0.00 0.00 42.46 38.41 1xjs s ILE 32 CO 0.00 0.16 0.07 -0.69 0.00 0.00 0.00 174.94 174.48 1xjs s VAL 33 N 1.23 1.27 -0.19 2.92 1.01 -1.26 -1.11 120.40 124.26 1xjs s VAL 33 Ca 0.42 -1.59 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 1xjs s VAL 33 Cb -0.18 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.29 1xjs s VAL 33 CO 0.20 -0.59 -0.14 -0.69 0.00 0.00 0.00 175.10 173.87 1xjs s VAL 34 N 1.43 2.55 0.05 2.92 1.01 -0.21 -5.00 120.40 123.14 1xjs s VAL 34 Ca 0.08 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1xjs s VAL 34 Cb -0.18 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1xjs s VAL 34 CO -0.19 0.50 -0.19 1.51 0.00 0.00 0.00 175.10 176.73 1xjs s ASP 35 N 1.35 2.28 -0.04 3.32 -4.77 -1.26 0.08 116.67 117.63 1xjs s ASP 35 Ca 0.05 -0.52 -0.00 0.00 -3.30 0.00 0.00 52.55 48.77 1xjs s ASP 35 Cb -0.14 -0.17 0.03 0.00 -1.09 0.00 0.00 42.92 41.55 1xjs s ASP 35 CO -0.09 0.12 0.02 -0.04 0.70 0.00 0.00 175.17 175.87 1xjs s MET 36 N -1.25 0.20 -0.14 2.11 -1.94 -1.04 -4.96 119.30 112.28 1xjs s MET 36 Ca 0.06 0.17 -0.06 0.00 -1.71 0.00 0.00 55.69 54.14 1xjs s MET 36 Cb -0.09 -0.51 -0.04 0.00 2.01 0.00 0.00 34.83 36.20 1xjs s MET 36 CO 0.02 -0.20 0.08 -0.80 -0.01 0.00 0.00 175.02 174.10 1xjs s ASN 37 N 1.40 5.84 -0.33 3.03 0.02 -1.26 -1.62 114.94 122.02 1xjs s ASN 37 Ca -0.05 0.24 -0.01 0.00 -1.02 0.00 0.00 52.86 52.03 1xjs s ASN 37 Cb -0.13 -1.89 0.11 0.00 0.02 0.00 0.00 41.25 39.36 1xjs s ASN 37 CO -0.03 0.31 0.13 0.21 0.02 0.00 0.00 177.10 177.74 1xjs s ASN 38 N -0.42 3.86 0.00 -1.22 3.04 0.11 -4.89 114.94 115.43 1xjs s ASN 38 Ca 0.10 -1.78 0.00 0.00 0.04 0.00 0.00 52.86 51.22 1xjs s ASN 38 Cb -0.12 -0.81 0.00 0.00 -1.54 0.00 0.00 41.25 38.78 1xjs s ASN 38 CO 0.02 -0.39 0.00 -2.65 -3.04 0.00 0.00 177.10 171.04 1xjs n PRO 39 N 4.65 0.00 -0.17 0.43 -0.02 -1.26 0.32 135.00 138.95 1xjs n PRO 39 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.56 1xjs n PRO 39 Cb 0.41 0.00 0.15 0.00 -0.02 0.00 0.00 33.50 34.04 1xjs n PRO 39 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xjs n THR 40 N -0.43 1.81 -1.12 3.45 -2.24 -1.26 -4.35 114.28 110.13 1xjs n THR 40 Ca 0.00 -1.90 0.02 0.00 -2.27 0.00 0.00 64.05 59.90 1xjs n THR 40 Cb 0.00 -0.09 0.03 0.00 -2.10 0.00 0.00 70.33 68.17 1xjs n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xjs n GLY 42 N -0.38 -0.89 0.00 0.00 0.00 0.15 -3.59 105.19 100.48 1xjs n GLY 42 Ca 0.03 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 0.00 -3.61 1.61 9.92 -0.11 0.09 116.55 124.45 1xjs n ASP 43 Ca 0.00 0.04 -0.01 0.00 -0.53 0.00 0.00 54.79 54.29 1xjs n ASP 43 Cb 0.00 -0.02 -0.04 0.00 -0.64 0.00 0.00 41.12 40.42 1xjs n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xjs s ARG 44 N -2.79 0.57 -0.42 -1.24 1.70 -0.69 -3.41 118.95 112.67 1xjs s ARG 44 Ca 0.00 1.42 -0.11 0.00 -0.47 0.00 0.00 55.73 56.56 1xjs s ARG 44 Cb 0.00 0.84 0.06 0.00 -0.57 0.00 0.00 34.95 35.29 1xjs s ARG 44 CO 0.00 -0.23 0.28 -1.50 -1.08 0.00 0.00 175.30 172.77 1xjs s ILE 45 N 2.89 4.59 -0.53 4.99 2.07 -0.64 -0.10 121.20 134.46 1xjs s ILE 45 Ca -0.04 -1.17 -0.18 0.00 -1.41 0.00 0.00 60.65 57.85 1xjs s ILE 45 Cb -0.12 -3.73 0.09 0.00 0.13 0.00 0.00 42.46 38.83 1xjs s ILE 45 CO -0.19 -0.46 0.58 -0.13 -1.91 0.00 0.00 174.94 172.83 1xjs s ARG 46 N 1.52 3.04 -0.44 3.50 0.52 0.17 -2.49 118.95 124.77 1xjs s ARG 46 Ca 0.03 -1.27 -0.12 0.00 -0.52 0.00 0.00 55.73 53.85 1xjs s ARG 46 Cb -0.22 -4.20 0.08 0.00 0.52 0.00 0.00 34.95 31.13 1xjs s ARG 46 CO 0.04 -1.30 0.32 -1.17 0.02 0.00 0.00 175.30 173.21 1xjs s LEU 47 N 2.25 5.37 -0.18 2.53 0.20 0.11 -0.55 118.68 128.41 1xjs s LEU 47 Ca 0.09 -1.45 -0.00 0.00 0.69 0.00 0.00 54.13 53.46 1xjs s LEU 47 Cb -0.24 -2.07 0.01 0.00 -0.43 0.00 0.00 46.19 43.46 1xjs s LEU 47 CO 0.07 -0.59 -0.15 0.42 -0.29 0.00 0.00 176.35 175.81 1xjs s THR 48 N 1.51 2.52 -0.04 3.68 -4.23 0.93 -1.05 115.64 118.96 1xjs s THR 48 Ca 0.03 -0.79 0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1xjs s THR 48 Cb -0.24 -2.08 -0.01 0.00 1.34 0.00 0.00 72.50 71.51 1xjs s THR 48 CO 0.04 0.51 -0.20 -0.04 -0.54 0.00 0.00 174.62 174.39 1xjs s MET 49 N 1.18 1.91 -0.74 3.99 -1.94 -0.27 0.53 119.30 123.96 1xjs s MET 49 Ca 0.02 -0.71 -0.05 0.00 -1.71 0.00 0.00 55.69 53.24 1xjs s MET 49 Cb -0.14 -1.70 0.19 0.00 2.01 0.00 0.00 34.83 35.19 1xjs s MET 49 CO -0.07 0.33 0.60 0.21 -0.01 0.00 0.00 175.02 176.09 1xjs s LYS 50 N -0.16 2.98 -0.33 2.03 2.36 0.57 -0.43 119.74 126.76 1xjs s LYS 50 Ca -0.00 -2.74 -0.29 0.00 -2.55 0.00 0.00 55.97 50.39 1xjs s LYS 50 Cb -0.11 -3.93 0.01 0.00 -1.05 0.00 0.00 37.83 32.75 1xjs s LYS 50 CO 0.02 -1.22 1.20 -0.48 1.55 0.00 0.00 175.35 176.42 1xjs s LEU 51 N -0.40 3.87 -0.75 5.43 2.34 -1.26 -1.76 118.68 126.16 1xjs s LEU 51 Ca 0.20 1.07 0.03 0.00 0.06 0.00 0.00 54.13 55.49 1xjs s LEU 51 Cb -0.15 -3.54 0.29 0.00 -0.56 0.00 0.00 46.19 42.23 1xjs s LEU 51 CO -0.07 -1.03 1.05 -0.67 -1.06 0.00 0.00 176.35 174.58 1xjs n ASP 52 N 7.37 4.83 0.00 1.48 -0.08 -1.26 -4.90 116.55 123.99 1xjs n ASP 52 Ca 0.13 -3.53 0.00 0.00 -1.51 0.00 0.00 54.79 49.88 1xjs n ASP 52 Cb 0.47 -0.80 0.00 0.00 2.34 0.00 0.00 41.12 43.13 1xjs n ASP 52 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xjs n GLY 53 N 0.54 0.41 0.00 0.27 0.00 -1.26 -4.76 105.19 100.39 1xjs n GLY 53 Ca 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.76 -0.80 1.61 8.00 -1.26 -5.07 116.55 119.79 1xjs n ASP 54 Ca 0.00 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1xjs n ASP 54 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1xjs n ASP 54 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1xjs n ILE 55 N -0.12 0.00 -3.89 0.53 -6.64 -1.26 -1.63 119.36 106.35 1xjs n ILE 55 Ca 0.00 0.00 -0.30 0.00 -1.77 0.00 0.00 62.75 60.68 1xjs n ILE 55 Cb 0.24 -0.49 -0.15 0.00 -1.44 0.00 0.00 39.64 37.79 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 0.89 1.49 0.00 7.28 1.01 -0.76 -4.24 120.40 126.06 1xjs s VAL 56 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1xjs s VAL 56 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1xjs s VAL 56 CO 0.00 -0.42 0.00 1.21 0.00 0.00 0.00 175.10 175.89 1xjs n GLU 57 N 4.63 0.00 -3.70 2.72 2.13 -0.72 -4.32 120.64 121.38 1xjs n GLU 57 Ca -0.04 0.39 -0.38 0.00 0.66 0.00 0.00 57.16 57.79 1xjs n GLU 57 Cb 0.43 -0.89 -0.11 0.00 0.27 0.00 0.00 31.44 31.14 1xjs n GLU 57 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1xjs s ASP 58 N -2.80 5.42 -0.35 4.31 2.15 -1.13 -4.84 116.67 119.43 1xjs s ASP 58 Ca 0.00 -1.63 -0.12 0.00 0.43 0.00 0.00 52.55 51.24 1xjs s ASP 58 Cb 0.00 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 40.72 1xjs s ASP 58 CO 0.00 -0.50 0.21 0.00 -0.17 0.00 0.00 175.17 174.71 1xjs s ALA 59 N 1.32 3.37 -0.12 3.66 0.00 -1.26 -0.31 121.76 128.41 1xjs s ALA 59 Ca 0.03 -1.50 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 1xjs s ALA 59 Cb -0.23 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.29 1xjs s ALA 59 CO -0.00 -1.10 -0.09 0.15 0.00 0.00 0.00 175.76 174.71 1xjs s LYS 60 N 1.64 3.34 -0.31 0.00 1.02 0.19 -4.92 119.74 120.70 1xjs s LYS 60 Ca 0.05 -0.62 0.02 0.00 0.02 0.00 0.00 55.97 55.44 1xjs s LYS 60 Cb -0.18 -2.70 0.09 0.00 -0.52 0.00 0.00 37.83 34.52 1xjs s LYS 60 CO 0.08 0.31 0.02 -0.59 -0.92 0.00 0.00 175.35 174.25 1xjs s PHE 61 N 0.14 3.12 -0.63 3.18 -0.12 -1.25 -0.05 117.98 122.36 1xjs s PHE 61 Ca -0.05 -2.49 -0.10 0.00 -0.05 0.00 0.00 56.93 54.24 1xjs s PHE 61 Cb -0.14 -2.37 0.16 0.00 -0.63 0.00 0.00 43.02 40.04 1xjs s PHE 61 CO 0.04 -0.90 0.53 -2.00 -0.05 0.00 0.00 175.22 172.84 1xjs s GLU 62 N 1.13 2.95 -0.14 1.99 2.12 0.29 -2.88 118.70 124.15 1xjs s GLU 62 Ca 0.06 -2.16 -0.02 0.00 0.36 0.00 0.00 54.97 53.20 1xjs s GLU 62 Cb -0.19 -4.10 -0.02 0.00 0.26 0.00 0.00 34.13 30.08 1xjs s GLU 62 CO -0.10 -1.24 -0.08 0.20 -0.54 0.00 0.00 175.26 173.49 1xjs s GLY 63 N 2.19 1.64 -0.10 -1.50 0.00 -0.79 0.42 107.32 109.19 1xjs s GLY 63 Ca 0.12 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 44.02 1xjs s GLY 63 CO -0.04 -0.13 -0.19 -0.54 0.00 0.00 0.00 173.10 172.20 1xjs s GLU 64 N 0.34 3.04 0.00 2.90 2.02 0.85 -4.92 118.70 122.92 1xjs s GLU 64 Ca -0.07 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.13 1xjs s GLU 64 Cb -0.15 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.67 1xjs s GLU 64 CO 0.04 0.27 0.00 0.41 0.02 0.00 0.00 175.26 176.00 1xjs n GLY 65 N 3.30 -0.53 3.95 -1.39 0.00 -1.26 -0.93 105.19 108.32 1xjs n GLY 65 Ca -0.18 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 1.97 0.61 0.52 0.00 0.02 -1.99 -2.33 113.55 112.35 1xjs h SER 67 Ca -0.49 0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.19 1xjs h SER 67 Cb 1.20 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1xjs h SER 67 CO 0.67 0.35 -1.39 0.16 -1.14 0.00 0.00 176.83 175.49 1xjs h ILE 68 N 0.67 1.33 -0.13 3.27 -0.00 -1.98 -2.91 117.51 117.76 1xjs h ILE 68 Ca 0.38 -2.92 -0.23 0.00 -0.00 0.00 0.00 64.86 62.09 1xjs h ILE 68 Cb 0.54 2.88 0.01 0.00 -0.00 0.00 0.00 36.82 40.25 1xjs h ILE 68 CO -0.15 0.85 -0.81 0.77 -0.00 0.00 0.00 178.15 178.82 1xjs h SER 69 N 0.08 0.91 0.74 2.16 4.64 -1.80 -0.14 113.55 120.14 1xjs h SER 69 Ca -0.19 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 1xjs h SER 69 Cb 2.01 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1xjs h SER 69 CO 0.19 1.41 -0.09 1.15 -0.87 0.00 0.00 176.83 178.63 1xjs n MET 70 N -3.92 0.20 -0.07 4.77 0.00 -1.04 -2.51 117.12 114.56 1xjs n MET 70 Ca -0.08 -0.04 -0.07 0.00 0.00 0.00 0.00 57.70 57.52 1xjs n MET 70 Cb 0.76 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 32.45 1xjs n MET 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xjs h ALA 71 N 3.19 0.04 0.30 3.17 0.00 -1.26 -3.35 119.26 121.34 1xjs h ALA 71 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1xjs h ALA 71 Cb 0.43 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1xjs h ALA 71 CO 0.00 0.36 -0.14 0.77 0.00 0.00 0.00 179.25 180.24 1xjs h SER 72 N -1.00 -0.34 -0.29 0.00 0.02 -1.10 -1.70 113.55 109.15 1xjs h SER 72 Ca -0.05 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1xjs h SER 72 Cb 0.52 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1xjs h SER 72 CO -0.03 -0.08 0.13 0.00 -1.14 0.00 0.00 176.83 175.71 1xjs h ALA 73 N 0.04 0.34 -0.33 3.77 0.00 -1.71 0.12 119.26 121.48 1xjs h ALA 73 Ca -0.04 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1xjs h ALA 73 Cb 0.43 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1xjs h ALA 73 CO 0.07 -0.26 0.04 0.77 0.00 0.00 0.00 179.25 179.87 1xjs h SER 74 N 0.28 0.46 -0.11 0.00 0.02 -1.69 0.14 113.55 112.65 1xjs h SER 74 Ca 0.12 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1xjs h SER 74 Cb 0.05 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1xjs h SER 74 CO -0.09 0.50 -0.08 -0.03 -1.14 0.00 0.00 176.83 175.98 1xjs h MET 75 N 0.48 0.25 0.00 3.45 -1.53 -0.29 -2.58 114.93 114.72 1xjs h MET 75 Ca 0.11 -0.12 -0.07 0.00 -3.44 0.00 0.00 59.70 56.18 1xjs h MET 75 Cb 0.25 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.29 1xjs h MET 75 CO 0.00 0.64 -0.34 0.52 0.14 0.00 0.00 176.91 177.86 1xjs h MET 76 N -0.13 0.00 0.00 0.39 2.07 -0.50 -1.34 114.93 115.41 1xjs h MET 76 Ca 0.02 0.00 -0.03 0.00 -2.07 0.00 0.00 59.70 57.62 1xjs h MET 76 Cb 0.58 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.30 1xjs h MET 76 CO 0.02 0.34 -0.17 1.15 1.07 0.00 0.00 176.91 179.33 1xjs h THR 77 N 0.00 0.66 -0.07 2.22 2.02 -0.60 -0.30 112.91 116.83 1xjs h THR 77 Ca -0.00 -0.71 -0.18 0.00 0.77 0.00 0.00 66.41 66.29 1xjs h THR 77 Cb 0.63 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1xjs h THR 77 CO 0.04 0.16 -0.72 1.56 0.37 0.00 0.00 175.52 176.93 1xjs h GLN 78 N 0.00 0.37 -0.17 6.66 4.20 -0.84 0.80 115.11 126.13 1xjs h GLN 78 Ca -0.00 -0.30 -0.11 0.00 0.06 0.00 0.00 58.65 58.29 1xjs h GLN 78 Cb 0.44 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1xjs h GLN 78 CO 0.02 0.94 -0.39 0.00 -0.67 0.00 0.00 178.83 178.73 1xjs h ALA 79 N 0.97 1.01 -0.01 3.87 0.00 -1.16 -2.95 119.26 120.99 1xjs h ALA 79 Ca -0.03 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1xjs h ALA 79 Cb 1.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1xjs h ALA 79 CO 0.12 0.61 -0.62 0.82 0.00 0.00 0.00 179.25 180.18 1xjs h ILE 80 N 0.32 1.44 0.00 0.00 1.08 -0.60 -2.89 117.51 116.86 1xjs h ILE 80 Ca 0.03 -2.10 0.00 0.00 -0.39 0.00 0.00 64.86 62.40 1xjs h ILE 80 Cb 0.83 2.12 0.00 0.00 -3.07 0.00 0.00 36.82 36.71 1xjs h ILE 80 CO 0.07 0.60 0.00 0.50 -0.69 0.00 0.00 178.15 178.63 1xjs h LYS 81 N 0.03 0.00 -0.09 2.37 3.64 -0.67 -1.40 116.57 120.46 1xjs h LYS 81 Ca -0.01 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1xjs h LYS 81 Cb 1.10 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.86 1xjs h LYS 81 CO 0.08 0.00 -0.55 0.41 -2.27 0.00 0.00 179.45 177.13 1xjs n GLY 82 N -1.19 5.23 1.69 5.01 0.00 -1.09 -4.56 105.19 110.28 1xjs n GLY 82 Ca -0.02 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.05 0.60 -3.55 1.61 5.02 -0.53 -5.05 118.16 115.21 1xjs n LYS 83 Ca 0.22 -1.75 -0.20 0.00 -2.02 0.00 0.00 58.31 54.56 1xjs n LYS 83 Cb 0.73 1.08 -0.04 0.00 -0.02 0.00 0.00 35.03 36.78 1xjs n LYS 83 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1xjs n ASP 84 N -1.94 2.77 -0.04 4.39 9.92 -1.26 -1.83 116.55 128.56 1xjs n ASP 84 Ca -0.01 -2.34 -0.20 0.00 -0.53 0.00 0.00 54.79 51.71 1xjs n ASP 84 Cb 0.31 0.19 -0.13 0.00 -0.64 0.00 0.00 41.12 40.85 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 1.09 1.14 -0.99 0.53 5.03 -1.57 -2.81 117.51 119.93 1xjs h ILE 85 Ca -0.25 -2.32 0.03 0.00 -0.12 0.00 0.00 64.86 62.19 1xjs h ILE 85 Cb 0.78 2.70 -0.05 0.00 -3.03 0.00 0.00 36.82 37.22 1xjs h ILE 85 CO 0.42 0.57 0.65 -0.33 -0.68 0.00 0.00 178.15 178.78 1xjs h GLU 86 N -0.65 1.25 -0.06 2.37 4.39 -1.94 -0.19 114.58 119.76 1xjs h GLU 86 Ca -0.26 -0.08 -0.17 0.00 0.34 0.00 0.00 59.36 59.20 1xjs h GLU 86 Cb 1.48 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1xjs h GLU 86 CO -0.03 0.83 -0.71 1.79 -1.16 0.00 0.00 179.01 179.72 1xjs h THR 87 N 1.28 1.41 -0.35 1.13 1.35 -1.93 -2.53 112.91 113.28 1xjs h THR 87 Ca 0.38 -2.18 -0.01 0.00 -0.55 0.00 0.00 66.41 64.05 1xjs h THR 87 Cb -0.06 2.15 -0.02 0.00 -1.73 0.00 0.00 68.15 68.49 1xjs h THR 87 CO -0.11 0.65 0.17 0.00 -0.25 0.00 0.00 175.52 175.98 1xjs h ALA 88 N 1.06 0.45 0.00 6.62 0.00 -1.01 0.27 119.26 126.64 1xjs h ALA 88 Ca -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xjs h ALA 88 Cb 1.26 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1xjs h ALA 88 CO 0.11 0.01 -0.06 -0.07 0.00 0.00 0.00 179.25 179.24 1xjs h LEU 89 N 0.43 0.00 0.00 0.00 -0.00 -1.03 -1.52 115.31 113.19 1xjs h LEU 89 Ca 0.12 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.75 1xjs h LEU 89 Cb 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.73 1xjs h LEU 89 CO -0.02 0.06 -1.34 0.28 -0.00 0.00 0.00 178.44 177.42 1xjs h SER 90 N 0.00 0.00 0.62 -0.43 0.02 -0.86 -2.51 113.55 110.39 1xjs h SER 90 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1xjs h SER 90 Cb 0.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1xjs h SER 90 CO 0.01 0.99 -0.29 0.24 -1.14 0.00 0.00 176.83 176.65 1xjs h MET 91 N 0.00 0.00 0.03 3.45 2.86 0.48 0.30 114.93 122.05 1xjs h MET 91 Ca -0.14 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.23 1xjs h MET 91 Cb 1.89 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.51 1xjs h MET 91 CO 0.10 0.29 -1.43 0.66 1.06 0.00 0.00 176.91 177.59 1xjs h SER 92 N 0.00 0.08 -0.33 1.22 4.64 -1.46 0.41 113.55 118.11 1xjs h SER 92 Ca -0.00 -0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.22 1xjs h SER 92 Cb 0.67 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 1xjs h SER 92 CO 0.04 1.11 0.16 0.50 -0.87 0.00 0.00 176.83 177.76 1xjs h LYS 93 N 0.01 0.32 -0.77 4.77 3.64 -0.99 0.88 116.57 124.44 1xjs h LYS 93 Ca -0.18 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1xjs h LYS 93 Cb 1.93 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 33.62 1xjs h LYS 93 CO 0.11 0.22 0.47 0.82 -2.27 0.00 0.00 179.45 178.80 1xjs h ILE 94 N 0.33 1.06 -0.36 2.00 2.04 -0.36 0.13 117.51 122.36 1xjs h ILE 94 Ca 0.14 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1xjs h ILE 94 Cb 0.06 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.18 1xjs h ILE 94 CO -0.10 0.16 0.08 0.15 0.00 0.00 0.00 178.15 178.44 1xjs h PHE 95 N 0.90 0.13 -0.22 1.37 3.57 -0.12 0.46 116.94 123.03 1xjs h PHE 95 Ca 0.32 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.70 1xjs h PHE 95 Cb 0.10 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1xjs h PHE 95 CO -0.04 0.03 -0.46 0.66 -2.23 0.00 0.00 178.31 176.26 1xjs h SER 96 N 0.20 0.60 0.78 0.41 4.64 -0.32 -2.39 113.55 117.47 1xjs h SER 96 Ca 0.17 -0.29 -0.11 0.00 -0.47 0.00 0.00 61.79 61.09 1xjs h SER 96 Cb 0.19 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1xjs h SER 96 CO -0.22 0.97 -0.51 0.44 -0.87 0.00 0.00 176.83 176.64 1xjs h ASP 97 N 0.45 0.00 0.09 4.97 3.32 -0.18 -2.27 116.42 122.79 1xjs h ASP 97 Ca 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1xjs h ASP 97 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1xjs h ASP 97 CO 0.09 0.51 -0.04 -0.03 -1.72 0.00 0.00 179.24 178.05 1xjs h MET 98 N 0.00 -0.11 -0.00 3.56 4.05 0.06 0.57 114.93 123.05 1xjs h MET 98 Ca -0.01 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1xjs h MET 98 Cb 1.04 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.87 1xjs h MET 98 CO 0.07 0.33 -0.07 0.00 0.23 0.00 0.00 176.91 177.47 1xjs n MET 99 N -4.92 0.48 -0.10 0.39 0.00 -0.91 -3.18 117.12 108.87 1xjs n MET 99 Ca -0.09 -0.09 0.01 0.00 0.00 0.00 0.00 57.70 57.53 1xjs n MET 99 Cb 0.25 -1.50 0.02 0.00 0.00 0.00 0.00 33.22 31.99 1xjs n MET 99 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 1xjs n GLN 100 N -1.18 0.92 0.00 3.17 6.02 -0.86 -4.99 117.38 120.46 1xjs n GLN 100 Ca 0.13 -1.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.03 1xjs n GLN 100 Cb 0.27 -0.74 0.00 0.00 1.02 0.00 0.00 30.24 30.79 1xjs n GLN 100 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xjs n GLY 101 N -0.29 -1.23 3.31 1.08 0.00 -0.14 -4.96 105.19 102.95 1xjs n GLY 101 Ca 0.02 0.36 -0.12 0.00 0.00 0.00 0.00 46.02 46.27 1xjs n GLY 101 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xjs s LYS 102 N 0.00 0.92 -0.36 1.61 2.20 0.01 -4.97 119.74 119.14 1xjs s LYS 102 Ca 0.00 -0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 54.91 1xjs s LYS 102 Cb 0.00 0.41 0.02 0.00 -1.51 0.00 0.00 37.83 36.74 1xjs s LYS 102 CO 0.00 -0.32 1.19 -1.21 -0.36 0.00 0.00 175.35 174.65 1xjs s GLU 103 N -2.58 3.89 -0.28 4.03 0.41 -1.26 -3.79 118.70 119.12 1xjs s GLU 103 Ca -0.05 0.97 -0.26 0.00 -0.41 0.00 0.00 54.97 55.23 1xjs s GLU 103 Cb -0.01 -3.85 0.16 0.00 -1.78 0.00 0.00 34.13 28.65 1xjs s GLU 103 CO -0.03 -1.15 1.23 1.52 -0.49 0.00 0.00 175.26 176.34 1xjs s TYR 104 N 4.23 -0.25 -0.04 1.61 1.13 -1.26 -5.12 117.35 117.65 1xjs s TYR 104 Ca 0.51 0.58 0.01 0.00 -1.41 0.00 0.00 57.07 56.76 1xjs s TYR 104 Cb -0.12 0.43 0.02 0.00 -1.10 0.00 0.00 41.96 41.19 1xjs s TYR 104 CO 0.23 -0.14 -0.03 0.34 -2.51 0.00 0.00 175.55 173.44 1xjs s ASP 105 N -0.10 0.77 0.55 -0.18 2.15 -1.26 -4.85 116.67 113.75 1xjs s ASP 105 Ca 0.05 -0.10 0.30 0.00 0.43 0.00 0.00 52.55 53.23 1xjs s ASP 105 Cb -0.04 -0.38 1.62 0.00 -0.30 0.00 0.00 42.92 43.82 1xjs s ASP 105 CO -0.10 -0.06 2.13 -0.78 -0.17 0.00 0.00 175.17 176.20 1xjs h ASP 106 N 7.16 0.00 0.11 -0.34 3.58 -1.99 -2.73 116.42 122.20 1xjs h ASP 106 Ca -0.40 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.05 1xjs h ASP 106 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1xjs h ASP 106 CO 0.48 0.08 -1.85 -1.20 -2.88 0.00 0.00 179.24 173.87 1xjs n SER 107 N -3.58 0.13 -2.81 2.28 7.64 -1.26 -4.99 113.62 111.04 1xjs n SER 107 Ca -0.02 -0.01 -0.22 0.00 1.01 0.00 0.00 58.87 59.63 1xjs n SER 107 Cb 0.19 1.78 0.02 0.00 -1.01 0.00 0.00 64.21 65.20 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 -2.27 -1.69 -3.37 0.44 2.08 -1.03 -4.96 119.36 108.55 1xjs n ILE 108 Ca -0.03 0.00 -0.26 0.00 0.56 0.00 0.00 62.75 63.02 1xjs n ILE 108 Cb 0.56 -3.34 -0.10 0.00 -0.75 0.00 0.00 39.64 36.01 1xjs n ILE 108 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1xjs s ASP 109 N -2.50 1.57 -0.08 4.38 2.15 -1.26 -4.93 116.67 116.00 1xjs s ASP 109 Ca 0.21 -2.76 0.11 0.00 0.43 0.00 0.00 52.55 50.54 1xjs s ASP 109 Cb -0.09 -0.27 0.17 0.00 -0.30 0.00 0.00 42.92 42.44 1xjs s ASP 109 CO 0.26 -0.20 1.07 0.18 -0.17 0.00 0.00 175.17 176.31 1xjs n LEU 110 N 3.15 2.03 0.27 -1.34 4.77 -1.26 -4.77 117.00 119.85 1xjs n LEU 110 Ca 0.25 -2.53 0.13 0.00 -0.03 0.00 0.00 56.01 53.82 1xjs n LEU 110 Cb 0.46 -0.26 0.75 0.00 -2.33 0.00 0.00 43.42 42.04 1xjs n LEU 110 CO 0.09 0.60 1.00 1.23 -1.33 0.00 0.00 177.39 178.97 1xjs h GLY 111 N 0.00 0.00 2.00 -0.72 0.00 -2.03 -2.60 103.07 99.71 1xjs h GLY 111 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1xjs h GLY 111 CO 0.00 0.00 -0.85 -1.80 0.00 0.00 0.00 176.54 173.89 1xjs h ASP 112 N 0.00 0.00 -0.39 0.19 3.58 -1.99 -3.29 116.42 114.52 1xjs h ASP 112 Ca -0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1xjs h ASP 112 Cb 0.29 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1xjs h ASP 112 CO 0.01 0.85 0.12 0.40 -2.88 0.00 0.00 179.24 177.75 1xjs h ILE 113 N 0.00 1.20 -0.45 2.25 2.04 -1.83 -0.44 117.51 120.27 1xjs h ILE 113 Ca -0.01 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1xjs h ILE 113 Cb 1.61 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1xjs h ILE 113 CO 0.11 0.25 0.25 -0.08 0.00 0.00 0.00 178.15 178.68 1xjs h GLU 114 N 0.66 0.61 0.00 2.37 4.57 -1.69 0.98 114.58 122.08 1xjs h GLU 114 Ca 0.15 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1xjs h GLU 114 Cb 0.23 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1xjs h GLU 114 CO -0.01 0.45 -0.03 0.00 -1.18 0.00 0.00 179.01 178.25 1xjs h ALA 115 N 1.65 1.01 0.06 2.92 0.00 -1.23 -2.61 119.26 121.06 1xjs h ALA 115 Ca 0.16 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.72 1xjs h ALA 115 Cb 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1xjs h ALA 115 CO -0.03 0.04 -1.84 1.28 0.00 0.00 0.00 179.25 178.71 1xjs n LEU 116 N -3.14 1.65 0.18 0.00 4.77 -0.09 -3.86 117.00 116.51 1xjs n LEU 116 Ca 0.00 0.32 0.06 0.00 -0.03 0.00 0.00 56.01 56.37 1xjs n LEU 116 Cb 0.32 -0.40 0.53 0.00 -2.33 0.00 0.00 43.42 41.54 1xjs n LEU 116 CO 0.28 0.60 1.02 1.56 -1.33 0.00 0.00 177.39 179.52 1xjs h GLN 117 N 0.03 0.14 -0.62 3.23 4.20 -0.66 -1.04 115.11 120.39 1xjs h GLN 117 Ca -0.35 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.29 1xjs h GLN 117 Cb 2.03 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.75 1xjs h GLN 117 CO 0.08 0.17 0.18 0.78 -0.67 0.00 0.00 178.83 179.37 1xjs h GLY 118 N 0.34 1.04 1.41 3.46 0.00 -1.58 -2.96 103.07 104.79 1xjs h GLY 118 Ca 0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1xjs h GLY 118 CO 0.00 0.59 -0.63 -0.39 0.00 0.00 0.00 176.54 176.11 1xjs h VAL 119 N 0.89 0.05 0.00 4.60 -1.51 -1.63 -3.39 116.25 115.27 1xjs h VAL 119 Ca 0.20 -1.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.58 1xjs h VAL 119 Cb 0.31 1.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1xjs h VAL 119 CO -0.00 0.03 0.23 -1.28 -1.23 0.00 0.00 177.57 175.31 1xjs h SER 120 N 0.00 0.00 0.00 4.19 0.87 -1.02 -3.09 113.55 114.50 1xjs h SER 120 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1xjs h SER 120 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1xjs h SER 120 CO 0.00 0.00 -0.48 0.29 -0.53 0.00 0.00 176.83 176.11 1xjs n LYS 121 N -2.15 2.71 -2.29 2.24 5.02 -1.26 -4.72 118.16 117.71 1xjs n LYS 121 Ca -0.01 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 1xjs n LYS 121 Cb 0.25 -0.74 -0.03 0.00 -0.02 0.00 0.00 35.03 34.49 1xjs n LYS 121 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1xjs s PHE 122 N -1.14 3.33 0.60 2.13 0.08 -1.20 -4.86 117.98 116.92 1xjs s PHE 122 Ca 0.00 1.36 0.29 0.00 0.12 0.00 0.00 56.93 58.70 1xjs s PHE 122 Cb 0.00 -3.52 1.62 0.00 -0.57 0.00 0.00 43.02 40.56 1xjs s PHE 122 CO 0.00 -1.51 2.03 -1.35 -0.10 0.00 0.00 175.22 174.30 1xjs h PRO 123 N 5.01 0.00 -0.02 0.24 0.11 -1.95 0.32 132.00 135.71 1xjs h PRO 123 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.74 0.00 -0.32 0.00 -0.21 0.00 0.00 178.00 178.21 1xjs n ALA 124 N -2.29 3.22 -0.16 -0.75 0.00 -1.26 -4.24 120.51 115.03 1xjs n ALA 124 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1xjs n ALA 124 Cb 0.42 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 0.11 -0.57 0.11 0.00 1.74 0.78 -4.64 116.66 114.19 1xjs n ARG 125 Ca 0.11 -0.50 -0.04 0.00 -0.77 0.00 0.00 57.85 56.66 1xjs n ARG 125 Cb 0.46 -0.92 0.13 0.00 -1.02 0.00 0.00 32.46 31.11 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 0.18 1.42 0.00 0.55 2.10 -0.51 0.44 117.51 121.69 1xjs h ILE 126 Ca 0.00 -2.09 0.00 0.00 1.08 0.00 0.00 64.86 63.85 1xjs h ILE 126 Cb 0.12 2.10 0.00 0.00 -1.09 0.00 0.00 36.82 37.95 1xjs h ILE 126 CO 0.00 0.61 0.00 0.11 -1.08 0.00 0.00 178.15 177.79 1xjs h LYS 127 N 0.10 0.00 0.00 2.19 6.56 -1.83 -2.59 116.57 121.00 1xjs h LYS 127 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1xjs h LYS 127 Cb 1.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 1xjs h LYS 127 CO 0.09 0.00 -0.52 0.00 -2.06 0.00 0.00 179.45 176.96 1xjs h ALA 129 N 2.05 0.06 -0.82 0.00 0.00 0.03 -2.29 119.26 118.28 1xjs h ALA 129 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1xjs h ALA 129 Cb 0.98 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1xjs h ALA 129 CO 0.00 0.16 0.54 1.15 0.00 0.00 0.00 179.25 181.10 1xjs h THR 130 N -0.35 1.11 0.00 0.00 2.02 -1.51 0.25 112.91 114.42 1xjs h THR 130 Ca -0.04 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1xjs h THR 130 Cb 1.06 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1xjs h THR 130 CO 0.07 0.18 0.00 -0.11 0.37 0.00 0.00 175.52 176.03 1xjs n LEU 131 N -4.46 0.00 0.10 2.58 0.00 -0.84 -2.27 117.00 112.11 1xjs n LEU 131 Ca 0.11 0.95 -0.07 0.00 0.00 0.00 0.00 56.01 57.00 1xjs n LEU 131 Cb 0.14 -0.45 -0.04 0.00 0.00 0.00 0.00 43.42 43.07 1xjs n LEU 131 CO 0.34 -0.45 0.22 0.28 0.00 0.00 0.00 177.39 177.78 1xjs h SER 132 N 0.00 -0.28 -0.01 1.96 0.02 -1.26 -2.95 113.55 111.02 1xjs h SER 132 Ca 0.00 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1xjs h SER 132 Cb 0.00 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1xjs h SER 132 CO 0.00 0.21 0.00 -0.25 -1.14 0.00 0.00 176.83 175.65 1xjs h TRP 133 N -1.04 0.02 0.00 3.45 7.01 -0.68 -3.00 115.95 121.71 1xjs h TRP 133 Ca -0.03 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.94 1xjs h TRP 133 Cb 0.37 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.42 1xjs h TRP 133 CO 0.03 0.32 -0.45 -0.22 -2.79 0.00 0.00 178.44 175.33 1xjs h LYS 134 N -0.28 0.00 -0.01 2.65 3.64 -1.27 0.47 116.57 121.78 1xjs h LYS 134 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1xjs h LYS 134 Cb 0.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1xjs h LYS 134 CO 0.00 0.09 -0.38 0.00 -2.27 0.00 0.00 179.45 176.89 1xjs h ALA 135 N 1.89 1.37 0.16 5.00 0.00 -1.27 0.42 119.26 126.84 1xjs h ALA 135 Ca -0.01 -0.34 -0.34 0.00 0.00 0.00 0.00 54.91 54.21 1xjs h ALA 135 Cb 1.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1xjs h ALA 135 CO 0.01 0.48 -1.74 1.25 0.00 0.00 0.00 179.25 179.25 1xjs h LEU 136 N 0.01 0.53 -0.19 0.00 5.85 -1.32 -2.24 115.31 117.95 1xjs h LEU 136 Ca -0.00 -0.92 -0.01 0.00 0.84 0.00 0.00 57.88 57.78 1xjs h LEU 136 Cb 0.67 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1xjs h LEU 136 CO 0.05 1.77 0.07 -0.08 -0.34 0.00 0.00 178.44 179.91 1xjs h GLU 137 N 0.01 0.28 0.00 1.25 4.22 0.02 -3.19 114.58 117.17 1xjs h GLU 137 Ca -0.36 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.03 1xjs h GLU 137 Cb 2.01 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.22 1xjs h GLU 137 CO 0.13 0.38 -0.73 1.17 -2.18 0.00 0.00 179.01 177.78 1xjs n LYS 138 N -4.82 0.08 0.25 1.92 3.00 0.15 -2.52 118.16 116.22 1xjs n LYS 138 Ca -0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.12 1xjs n LYS 138 Cb 0.14 -1.53 -0.08 0.00 0.00 0.00 0.00 35.03 33.56 1xjs n LYS 138 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1xjs h GLY 139 N 4.87 -0.66 -1.07 3.14 0.00 -1.38 -3.13 103.07 104.84 1xjs h GLY 139 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1xjs h GLY 139 CO 0.00 -0.25 -0.02 3.33 0.00 0.00 0.00 176.54 179.61 1xjs n VAL 140 N -5.37 2.17 -0.91 4.60 0.24 -1.26 -4.96 118.33 112.83 1xjs n VAL 140 Ca -0.11 -2.12 0.06 0.00 -2.04 0.00 0.00 64.34 60.13 1xjs n VAL 140 Cb 0.28 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.36 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 -0.90 -1.93 -3.60 2.33 0.00 -1.18 -4.85 120.51 110.38 1xjs n ALA 141 Ca 0.20 0.46 -0.06 0.00 0.00 0.00 0.00 53.44 54.04 1xjs n ALA 141 Cb 0.81 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.20 1xjs n ALA 141 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xjs s LYS 142 N -4.25 0.37 0.12 0.00 1.02 -1.05 -4.47 119.74 111.47 1xjs s LYS 142 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.04 1xjs s LYS 142 Cb 0.00 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1xjs s LYS 142 CO 0.00 -0.12 0.00 -1.91 -0.92 0.00 0.00 175.35 172.40 1xjs n GLU 143 N 0.52 -3.82 0.00 1.68 2.13 -1.26 -4.94 120.64 114.95 1xjs n GLU 143 Ca -0.05 2.87 0.00 0.00 0.66 0.00 0.00 57.16 60.64 1xjs n GLU 143 Cb 0.58 -3.05 0.00 0.00 0.27 0.00 0.00 31.44 29.25 1xjs n GLU 143 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1xjs n GLU 144 N 1.31 0.00 -2.98 5.31 0.00 -1.26 -4.74 120.64 118.28 1xjs n GLU 144 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.96 1xjs n GLU 144 Cb 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 31.44 31.31 1xjs n GLU 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xjs n GLY 145 N 2.63 -0.50 1.84 8.31 0.00 -1.26 -1.67 105.19 114.54 1xjs n GLY 145 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.17 0.33 3.89 -0.02 0.00 -1.26 -5.30 105.19 101.66 1xjs n GLY 146 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1xjs n GLY 146 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31