#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 6.79 0.00 7.83 0.01 -1.26 -4.00 113.70 123.08 1xjs s SER 2 Ca 0.00 -2.30 0.00 0.00 1.31 0.00 0.00 55.95 54.96 1xjs s SER 2 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1xjs s SER 2 CO 0.00 -1.17 0.00 0.33 0.41 0.00 0.00 173.24 172.81 1xjs n PHE 3 N 8.01 0.00 -1.69 2.43 7.35 -1.26 -5.05 117.46 127.25 1xjs n PHE 3 Ca 0.43 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.74 1xjs n PHE 3 Cb 0.47 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.27 1xjs n PHE 3 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1xjs s ASN 4 N -1.50 4.78 -0.02 -2.13 -0.87 -1.26 -4.94 114.94 109.00 1xjs s ASN 4 Ca 0.00 1.01 0.06 0.00 -1.57 0.00 0.00 52.86 52.36 1xjs s ASN 4 Cb 0.00 -2.51 -0.01 0.00 -0.02 0.00 0.00 41.25 38.71 1xjs s ASN 4 CO 0.00 -2.63 -0.21 0.00 -2.57 0.00 0.00 177.10 171.69 1xjs s ALA 5 N 10.90 1.78 0.00 0.60 0.00 -1.26 -5.07 121.76 128.72 1xjs s ALA 5 Ca 0.90 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1xjs s ALA 5 Cb -0.18 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1xjs s ALA 5 CO 0.26 0.42 0.00 -1.71 0.00 0.00 0.00 175.76 174.73 1xjs n ASN 6 N 2.66 0.00 0.00 0.00 2.85 -1.26 -4.99 115.26 114.52 1xjs n ASN 6 Ca -0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 1xjs n ASN 6 Cb 0.53 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.55 1xjs n ASN 6 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1xjs n LEU 7 N 0.00 0.00 -0.06 1.20 7.94 -1.26 -4.72 117.00 120.11 1xjs n LEU 7 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 1xjs n LEU 7 Cb 0.00 -0.03 -0.07 0.00 0.53 0.00 0.00 43.42 43.85 1xjs n LEU 7 CO 0.00 0.00 0.48 -0.78 -1.11 0.00 0.00 177.39 175.98 1xjs h ASP 8 N 0.00 0.64 0.63 1.96 3.58 -2.00 -2.00 116.42 119.23 1xjs h ASP 8 Ca 0.00 -0.55 -0.07 0.00 0.42 0.00 0.00 57.03 56.83 1xjs h ASP 8 Cb 0.00 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 1xjs h ASP 8 CO 0.00 1.08 -0.33 0.74 -2.88 0.00 0.00 179.24 177.85 1xjs h THR 9 N 0.24 0.92 -0.01 2.25 2.02 -2.00 -2.30 112.91 114.02 1xjs h THR 9 Ca 0.01 -1.27 -0.13 0.00 0.77 0.00 0.00 66.41 65.79 1xjs h THR 9 Cb 0.97 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.12 1xjs h THR 9 CO 0.08 0.32 -0.59 -0.07 0.37 0.00 0.00 175.52 175.63 1xjs h LEU 10 N 0.00 0.05 -0.07 2.58 3.38 -1.87 -2.94 115.31 116.43 1xjs h LEU 10 Ca -0.00 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1xjs h LEU 10 Cb 0.73 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1xjs h LEU 10 CO 0.04 0.62 0.02 1.88 0.09 0.00 0.00 178.44 181.09 1xjs h TYR 11 N 0.03 0.03 -0.44 1.13 0.05 -0.78 0.40 116.97 117.39 1xjs h TYR 11 Ca -0.01 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 1xjs h TYR 11 Cb 1.05 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.76 1xjs h TYR 11 CO 0.00 0.01 0.29 0.00 -1.05 0.00 0.00 178.16 177.42 1xjs h ARG 12 N 0.05 0.48 -0.00 4.88 -0.00 -1.46 0.68 114.38 119.01 1xjs h ARG 12 Ca 0.03 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1xjs h ARG 12 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 29.89 1xjs h ARG 12 CO -0.04 0.32 -0.00 1.96 0.00 0.00 0.00 179.97 182.21 1xjs h GLN 13 N 0.50 0.00 -0.04 0.04 4.20 -1.21 -2.89 115.11 115.70 1xjs h GLN 13 Ca 0.17 -0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.63 1xjs h GLN 13 Cb 0.09 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.88 1xjs h GLN 13 CO -0.04 0.57 -0.97 0.28 -0.67 0.00 0.00 178.83 178.00 1xjs h VAL 14 N -0.57 1.28 0.00 -0.54 2.07 0.47 -3.04 116.25 115.92 1xjs h VAL 14 Ca 0.00 -2.18 -0.10 0.00 0.82 0.00 0.00 66.70 65.25 1xjs h VAL 14 Cb 0.57 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1xjs h VAL 14 CO 0.00 0.68 -0.47 -0.29 0.02 0.00 0.00 177.57 177.51 1xjs h ILE 15 N 0.43 1.13 -0.53 4.57 2.10 0.21 0.54 117.51 125.97 1xjs h ILE 15 Ca -0.11 -1.72 -0.11 0.00 1.08 0.00 0.00 64.86 64.01 1xjs h ILE 15 Cb 1.62 1.98 -0.02 0.00 -1.09 0.00 0.00 36.82 39.31 1xjs h ILE 15 CO 0.19 0.46 -0.09 -0.03 -1.08 0.00 0.00 178.15 177.60 1xjs h MET 16 N 0.00 0.98 -0.29 2.19 4.05 -1.50 0.31 114.93 120.67 1xjs h MET 16 Ca -0.00 -0.34 -0.10 0.00 -0.28 0.00 0.00 59.70 58.97 1xjs h MET 16 Cb 0.94 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 1xjs h MET 16 CO 0.06 1.02 -0.22 0.22 0.23 0.00 0.00 176.91 178.21 1xjs h ASP 17 N 0.87 0.69 0.19 1.39 3.58 -1.34 -2.26 116.42 119.54 1xjs h ASP 17 Ca 0.14 -0.45 -0.02 0.00 0.42 0.00 0.00 57.03 57.12 1xjs h ASP 17 Cb 0.64 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 1xjs h ASP 17 CO 0.04 0.99 -0.12 -0.74 -2.88 0.00 0.00 179.24 176.54 1xjs h HIS 18 N 0.39 0.00 -0.26 0.28 2.76 -0.61 -0.71 115.15 117.01 1xjs h HIS 18 Ca 0.05 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.03 1xjs h HIS 18 Cb 0.78 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.74 1xjs h HIS 18 CO 0.07 0.12 -0.58 -0.92 -1.30 0.00 0.00 177.93 175.31 1xjs h TYR 19 N 0.00 1.08 -0.16 5.26 3.20 -0.20 -2.85 116.97 123.31 1xjs h TYR 19 Ca -0.00 -0.40 -0.04 0.00 3.14 0.00 0.00 58.73 61.43 1xjs h TYR 19 Cb 0.25 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1xjs h TYR 19 CO 0.00 1.23 -0.09 -0.22 -1.64 0.00 0.00 178.16 177.44 1xjs h LYS 20 N 0.64 0.24 -7.31 1.82 3.64 -0.66 -3.44 116.57 111.50 1xjs h LYS 20 Ca 0.00 -0.05 -0.47 0.00 -1.27 0.00 0.00 60.65 58.86 1xjs h LYS 20 Cb 1.19 -0.04 0.07 0.00 -0.41 0.00 0.00 32.23 33.05 1xjs h LYS 20 CO 0.13 0.35 0.27 -0.80 -2.27 0.00 0.00 179.45 177.13 1xjs s ASN 21 N -6.88 5.19 0.00 4.20 0.01 -0.38 -4.92 114.94 112.15 1xjs s ASN 21 Ca -0.06 0.73 0.00 0.00 -0.71 0.00 0.00 52.86 52.83 1xjs s ASN 21 Cb 0.16 -1.52 0.00 0.00 0.41 0.00 0.00 41.25 40.30 1xjs s ASN 21 CO 0.73 -1.39 0.34 -2.65 -1.51 0.00 0.00 177.10 172.62 1xjs n PRO 22 N -2.87 0.52 0.00 -0.60 -0.02 -1.26 -4.91 135.00 125.86 1xjs n PRO 22 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1xjs n PRO 22 Cb 0.59 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 1xjs n PRO 22 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1xjs n ARG 23 N 0.01 0.00 -3.43 -0.52 1.74 -1.24 -4.17 116.66 109.05 1xjs n ARG 23 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1xjs n ARG 23 Cb 0.09 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.51 1xjs n ARG 23 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1xjs s ASN 24 N -4.00 6.93 -0.33 0.55 -0.87 -1.26 -4.88 114.94 111.07 1xjs s ASN 24 Ca 0.00 -3.65 0.01 0.00 -1.57 0.00 0.00 52.86 47.64 1xjs s ASN 24 Cb 0.00 -2.12 0.14 0.00 -0.02 0.00 0.00 41.25 39.25 1xjs s ASN 24 CO 0.00 -0.25 0.30 -0.54 -2.57 0.00 0.00 177.10 174.04 1xjs s LYS 25 N -1.32 0.48 -0.29 -0.60 1.02 -0.96 -3.46 119.74 114.61 1xjs s LYS 25 Ca 0.30 -0.68 -0.19 0.00 0.02 0.00 0.00 55.97 55.41 1xjs s LYS 25 Cb -0.09 -0.84 0.13 0.00 -0.52 0.00 0.00 37.83 36.51 1xjs s LYS 25 CO -0.09 -1.13 0.98 0.20 -0.92 0.00 0.00 175.35 174.38 1xjs s GLY 26 N 1.72 -0.10 -0.25 -3.33 0.00 -1.24 -4.79 107.32 99.33 1xjs s GLY 26 Ca 0.14 2.92 -0.02 0.00 0.00 0.00 0.00 44.72 47.76 1xjs s GLY 26 CO -0.15 2.30 0.08 0.54 0.00 0.00 0.00 173.10 175.86 1xjs s VAL 27 N 0.95 0.55 -0.69 1.40 0.11 -1.26 -1.82 120.40 119.64 1xjs s VAL 27 Ca -0.05 -0.91 -0.04 0.00 -2.93 0.00 0.00 61.98 58.06 1xjs s VAL 27 Cb -0.04 -1.26 0.18 0.00 -1.53 0.00 0.00 36.38 33.72 1xjs s VAL 27 CO -0.12 -0.48 0.52 -0.22 -3.33 0.00 0.00 175.10 171.47 1xjs s LEU 28 N 1.81 5.43 -0.76 2.54 0.20 -1.26 -5.03 118.68 121.61 1xjs s LEU 28 Ca 0.05 -2.98 -0.26 0.00 0.69 0.00 0.00 54.13 51.63 1xjs s LEU 28 Cb -0.17 -1.90 0.04 0.00 -0.43 0.00 0.00 46.19 43.73 1xjs s LEU 28 CO -0.20 -0.36 1.26 0.21 -0.29 0.00 0.00 176.35 176.97 1xjs s ASN 29 N 0.68 6.20 0.00 3.68 3.84 -1.26 -4.37 114.94 123.71 1xjs s ASN 29 Ca 0.19 -0.62 0.00 0.00 0.21 0.00 0.00 52.86 52.63 1xjs s ASN 29 Cb -0.17 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 37.98 1xjs s ASN 29 CO -0.05 -1.75 0.00 -0.67 -2.79 0.00 0.00 177.10 171.83 1xjs n ASP 30 N 9.11 0.00 0.06 -4.21 2.03 -1.26 -5.08 116.55 117.20 1xjs n ASP 30 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1xjs n ASP 30 Cb 0.49 0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 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 -1.98 0.62 -4.60 1.67 3.41 -1.25 -5.01 113.62 106.48 1xjs n SER 31 Ca 0.00 0.17 -0.40 0.00 -0.26 0.00 0.00 58.87 58.38 1xjs n SER 31 Cb 0.00 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.76 5.04 -0.32 -1.33 1.01 -0.81 -4.99 121.20 118.04 1xjs s ILE 32 Ca 0.00 0.78 -0.02 0.00 0.00 0.00 0.00 60.65 61.41 1xjs s ILE 32 Cb 0.00 -3.87 0.11 0.00 0.01 0.00 0.00 42.46 38.71 1xjs s ILE 32 CO 0.00 0.00 0.15 -0.69 0.00 0.00 0.00 174.94 174.40 1xjs s VAL 33 N 2.37 0.37 -0.18 2.92 1.01 -1.26 -0.40 120.40 125.23 1xjs s VAL 33 Ca 0.21 -1.29 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 1xjs s VAL 33 Cb -0.15 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1xjs s VAL 33 CO 0.10 -0.78 0.05 -0.69 0.00 0.00 0.00 175.10 173.78 1xjs s VAL 34 N 1.60 4.71 -0.11 2.92 1.01 0.26 -4.97 120.40 125.82 1xjs s VAL 34 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1xjs s VAL 34 Cb -0.19 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.11 1xjs s VAL 34 CO -0.22 0.47 -0.02 -0.62 0.00 0.00 0.00 175.10 174.70 1xjs s ASP 35 N 0.31 2.02 -0.16 3.32 2.15 -1.26 0.17 116.67 123.22 1xjs s ASP 35 Ca 0.03 -0.28 -0.00 0.00 0.43 0.00 0.00 52.55 52.73 1xjs s ASP 35 Cb -0.12 -0.63 0.04 0.00 -0.30 0.00 0.00 42.92 41.91 1xjs s ASP 35 CO 0.00 -0.18 -0.06 -0.04 -0.17 0.00 0.00 175.17 174.72 1xjs s MET 36 N 1.85 1.51 -0.04 4.34 -1.94 -0.39 -4.96 119.30 119.66 1xjs s MET 36 Ca 0.04 -0.50 0.04 0.00 -1.71 0.00 0.00 55.69 53.56 1xjs s MET 36 Cb -0.13 -1.97 -0.03 0.00 2.01 0.00 0.00 34.83 34.71 1xjs s MET 36 CO -0.07 -0.40 -0.14 -0.80 -0.01 0.00 0.00 175.02 173.60 1xjs s ASN 37 N 1.63 4.05 -0.22 3.03 0.01 -1.26 -0.57 114.94 121.60 1xjs s ASN 37 Ca 0.01 -0.21 -0.05 0.00 -0.71 0.00 0.00 52.86 51.91 1xjs s ASN 37 Cb -0.15 -0.85 0.08 0.00 0.41 0.00 0.00 41.25 40.74 1xjs s ASN 37 CO -0.08 0.34 0.11 0.21 -1.51 0.00 0.00 177.10 176.17 1xjs s ASN 38 N -0.82 2.87 -0.46 -1.22 2.47 0.16 -4.95 114.94 112.99 1xjs s ASN 38 Ca 0.12 -0.91 -0.43 0.00 0.42 0.00 0.00 52.86 52.06 1xjs s ASN 38 Cb -0.11 -0.29 -0.18 0.00 -1.45 0.00 0.00 41.25 39.22 1xjs s ASN 38 CO 0.01 -0.39 1.98 -0.81 -3.72 0.00 0.00 177.10 174.17 1xjs n PRO 39 N 5.27 0.24 0.00 0.43 -0.04 -1.26 0.45 135.00 140.08 1xjs n PRO 39 Ca -0.07 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1xjs n PRO 39 Cb 0.46 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1xjs n PRO 39 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1xjs n THR 40 N 5.81 0.00 0.00 0.52 -1.04 -1.26 -4.50 114.28 113.81 1xjs n THR 40 Ca 0.45 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 1xjs n THR 40 Cb 0.01 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 1xjs n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xjs n GLY 42 N 2.04 1.52 0.06 0.00 0.00 0.17 -3.77 105.19 105.21 1xjs n GLY 42 Ca 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.23 -0.14 -3.64 1.61 9.92 -0.86 0.38 116.55 123.59 1xjs n ASP 43 Ca 0.06 0.59 -0.09 0.00 -0.53 0.00 0.00 54.79 54.83 1xjs n ASP 43 Cb 0.82 -0.21 -0.07 0.00 -0.64 0.00 0.00 41.12 41.03 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 -3.61 0.50 -0.15 -1.24 1.70 -0.42 -2.50 118.95 113.23 1xjs s ARG 44 Ca -0.02 0.63 -0.01 0.00 -0.47 0.00 0.00 55.73 55.86 1xjs s ARG 44 Cb 0.01 0.23 0.04 0.00 -0.57 0.00 0.00 34.95 34.67 1xjs s ARG 44 CO 0.08 -0.07 -0.01 -1.50 -1.08 0.00 0.00 175.30 172.72 1xjs s ILE 45 N 0.38 0.75 -0.41 4.99 2.07 0.26 0.41 121.20 129.65 1xjs s ILE 45 Ca 0.01 -0.40 -0.10 0.00 -1.41 0.00 0.00 60.65 58.76 1xjs s ILE 45 Cb -0.05 -1.01 0.07 0.00 0.13 0.00 0.00 42.46 41.60 1xjs s ILE 45 CO -0.07 0.08 0.25 -0.60 -1.91 0.00 0.00 174.94 172.68 1xjs s ARG 46 N 1.79 2.65 -0.38 3.50 3.52 0.12 -1.27 118.95 128.88 1xjs s ARG 46 Ca 0.02 -1.38 -0.09 0.00 -0.13 0.00 0.00 55.73 54.15 1xjs s ARG 46 Cb -0.15 -3.77 0.05 0.00 -1.56 0.00 0.00 34.95 29.52 1xjs s ARG 46 CO -0.07 -0.90 0.20 -1.17 -0.81 0.00 0.00 175.30 172.55 1xjs s LEU 47 N 1.45 4.80 -0.11 -0.88 0.20 0.13 -0.92 118.68 123.35 1xjs s LEU 47 Ca 0.03 -1.26 0.00 0.00 0.69 0.00 0.00 54.13 53.59 1xjs s LEU 47 Cb -0.22 -1.96 -0.02 0.00 -0.43 0.00 0.00 46.19 43.55 1xjs s LEU 47 CO 0.03 -0.44 -0.12 0.42 -0.29 0.00 0.00 176.35 175.96 1xjs s THR 48 N 1.45 3.20 0.18 3.68 -4.23 0.13 -0.58 115.64 119.48 1xjs s THR 48 Ca 0.01 -0.63 0.08 0.00 -1.18 0.00 0.00 61.69 59.97 1xjs s THR 48 Cb -0.21 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1xjs s THR 48 CO 0.04 0.54 -0.15 -0.04 -0.54 0.00 0.00 174.62 174.47 1xjs s MET 49 N -0.01 1.27 -0.36 3.99 -1.94 0.47 0.45 119.30 123.16 1xjs s MET 49 Ca -0.03 -1.49 0.01 0.00 -1.71 0.00 0.00 55.69 52.47 1xjs s MET 49 Cb -0.14 -1.13 0.11 0.00 2.01 0.00 0.00 34.83 35.68 1xjs s MET 49 CO 0.04 0.20 0.15 0.21 -0.01 0.00 0.00 175.02 175.61 1xjs s LYS 50 N -3.30 1.00 -0.73 2.03 2.20 0.86 -1.93 119.74 119.87 1xjs s LYS 50 Ca 0.19 -1.52 -0.22 0.00 -0.36 0.00 0.00 55.97 54.06 1xjs s LYS 50 Cb -0.02 -2.21 0.08 0.00 -1.51 0.00 0.00 37.83 34.17 1xjs s LYS 50 CO 0.06 -1.06 1.02 -0.48 -0.36 0.00 0.00 175.35 174.53 1xjs s LEU 51 N 1.04 4.51 -1.09 5.43 0.05 -1.26 -2.31 118.68 125.06 1xjs s LEU 51 Ca 0.13 -1.25 -0.03 0.00 0.05 0.00 0.00 54.13 53.04 1xjs s LEU 51 Cb -0.20 -2.42 0.29 0.00 -2.05 0.00 0.00 46.19 41.80 1xjs s LEU 51 CO -0.13 -1.36 1.80 -0.67 -0.55 0.00 0.00 176.35 175.44 1xjs n ASP 52 N 7.48 7.08 0.00 1.48 2.03 -1.26 -4.75 116.55 128.62 1xjs n ASP 52 Ca 0.04 -3.53 0.00 0.00 0.52 0.00 0.00 54.79 51.82 1xjs n ASP 52 Cb 0.46 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 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 0.65 0.35 1.54 0.27 0.00 -1.26 -4.86 105.19 101.89 1xjs n GLY 53 Ca 0.43 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 46.29 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 0.80 -4.11 1.61 8.00 -1.26 -5.10 116.55 116.49 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 -0.24 -0.10 0.00 -0.02 0.00 0.00 41.12 40.76 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 -0.24 0.46 -1.02 0.53 -0.00 -1.26 -2.77 121.20 116.90 1xjs s ILE 55 Ca 0.30 -1.68 -0.21 0.00 -0.00 0.00 0.00 60.65 59.06 1xjs s ILE 55 Cb 0.34 -1.35 0.09 0.00 -0.00 0.00 0.00 42.46 41.54 1xjs s ILE 55 CO -0.14 -0.81 1.36 -0.69 -0.00 0.00 0.00 174.94 174.65 1xjs s VAL 56 N -3.22 4.28 -0.07 8.37 1.01 -0.85 -3.97 120.40 125.94 1xjs s VAL 56 Ca 0.05 -1.24 -0.14 0.00 0.00 0.00 0.00 61.98 60.65 1xjs s VAL 56 Cb 0.03 -4.97 -0.10 0.00 0.00 0.00 0.00 36.38 31.34 1xjs s VAL 56 CO -0.05 -1.78 0.52 -0.08 0.00 0.00 0.00 175.10 173.71 1xjs h GLU 57 N 9.15 -0.19 -5.14 2.72 4.57 -1.73 -3.43 114.58 120.53 1xjs h GLU 57 Ca 0.21 0.01 -0.36 0.00 -1.18 0.00 0.00 59.36 58.04 1xjs h GLU 57 Cb 1.00 0.04 -0.19 0.00 -0.16 0.00 0.00 28.75 29.44 1xjs h GLU 57 CO 1.31 0.12 -0.75 0.34 -1.18 0.00 0.00 179.01 178.84 1xjs s ASP 58 N -5.47 1.58 -0.23 1.04 2.15 -1.12 -4.97 116.67 109.66 1xjs s ASP 58 Ca -0.08 -0.73 -0.14 0.00 0.43 0.00 0.00 52.55 52.03 1xjs s ASP 58 Cb -0.00 -0.02 0.07 0.00 -0.30 0.00 0.00 42.92 42.67 1xjs s ASP 58 CO 0.29 -0.18 0.56 0.00 -0.17 0.00 0.00 175.17 175.68 1xjs s ALA 59 N -1.94 -1.48 -0.02 3.66 0.00 -1.26 -0.10 121.76 120.63 1xjs s ALA 59 Ca 0.03 1.97 -0.01 0.00 0.00 0.00 0.00 51.96 53.95 1xjs s ALA 59 Cb -0.06 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 21.91 1xjs s ALA 59 CO 0.01 -0.32 0.03 0.15 0.00 0.00 0.00 175.76 175.64 1xjs s LYS 60 N 1.40 0.01 -0.24 0.00 1.02 0.17 -4.97 119.74 117.13 1xjs s LYS 60 Ca -0.09 0.10 -0.02 0.00 0.02 0.00 0.00 55.97 55.99 1xjs s LYS 60 Cb -0.06 -0.08 0.07 0.00 -0.52 0.00 0.00 37.83 37.24 1xjs s LYS 60 CO -0.15 -0.07 0.04 -0.59 -0.92 0.00 0.00 175.35 173.67 1xjs s PHE 61 N 0.43 1.49 -0.36 3.18 -0.12 -1.20 0.19 117.98 121.60 1xjs s PHE 61 Ca -0.03 -1.31 -0.17 0.00 -0.05 0.00 0.00 56.93 55.37 1xjs s PHE 61 Cb -0.05 -1.36 -0.00 0.00 -0.63 0.00 0.00 43.02 40.98 1xjs s PHE 61 CO -0.01 -0.73 0.43 -2.00 -0.05 0.00 0.00 175.22 172.85 1xjs s GLU 62 N 1.70 3.51 -0.01 1.99 2.12 -0.10 -2.27 118.70 125.64 1xjs s GLU 62 Ca 0.02 -0.38 -0.17 0.00 0.36 0.00 0.00 54.97 54.80 1xjs s GLU 62 Cb -0.17 -3.83 0.03 0.00 0.26 0.00 0.00 34.13 30.41 1xjs s GLU 62 CO -0.14 -0.62 0.36 0.20 -0.54 0.00 0.00 175.26 174.52 1xjs s GLY 63 N 1.76 -0.21 0.01 -1.50 0.00 -1.23 0.11 107.32 106.26 1xjs s GLY 63 Ca 0.14 0.40 0.01 0.00 0.00 0.00 0.00 44.72 45.27 1xjs s GLY 63 CO 0.13 0.17 -0.03 1.85 0.00 0.00 0.00 173.10 175.22 1xjs s GLU 64 N -1.54 0.21 0.00 2.90 2.56 0.16 -4.87 118.70 118.13 1xjs s GLU 64 Ca -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.97 54.63 1xjs s GLU 64 Cb -0.04 -0.11 0.00 0.00 2.00 0.00 0.00 34.13 35.98 1xjs s GLU 64 CO 0.04 0.02 0.00 0.41 -0.56 0.00 0.00 175.26 175.17 1xjs n GLY 65 N 2.63 -0.59 3.94 -1.50 0.00 -1.26 -1.31 105.19 107.11 1xjs n GLY 65 Ca -0.15 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 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 0.91 0.97 0.43 0.00 4.64 -1.99 -2.12 113.55 116.39 1xjs h SER 67 Ca -0.49 0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 60.68 1xjs h SER 67 Cb 1.21 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1xjs h SER 67 CO 0.62 0.60 -0.67 -0.29 -0.87 0.00 0.00 176.83 176.22 1xjs h ILE 68 N 1.09 1.42 0.29 0.95 -0.00 -1.94 -2.54 117.51 116.78 1xjs h ILE 68 Ca 0.43 -2.15 -0.01 0.00 -0.00 0.00 0.00 64.86 63.13 1xjs h ILE 68 Cb 0.24 2.12 0.00 0.00 -0.00 0.00 0.00 36.82 39.19 1xjs h ILE 68 CO -0.18 0.63 -0.14 0.28 -0.00 0.00 0.00 178.15 178.74 1xjs h SER 69 N 0.15 -0.33 0.47 2.19 0.02 -1.65 -0.36 113.55 114.05 1xjs h SER 69 Ca -0.02 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1xjs h SER 69 Cb 1.21 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1xjs h SER 69 CO 0.10 0.08 0.00 0.23 -1.14 0.00 0.00 176.83 176.10 1xjs n MET 70 N -5.09 0.45 -0.09 3.45 2.81 -1.07 -2.20 117.12 115.37 1xjs n MET 70 Ca -0.09 0.02 -0.19 0.00 -1.81 0.00 0.00 57.70 55.63 1xjs n MET 70 Cb 0.26 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.16 1xjs n MET 70 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xjs h ALA 71 N 3.37 0.18 -0.05 3.04 0.00 -1.16 -3.34 119.26 121.30 1xjs h ALA 71 Ca 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 54.91 53.89 1xjs h ALA 71 Cb 0.23 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1xjs h ALA 71 CO 0.00 0.49 -0.18 0.66 0.00 0.00 0.00 179.25 180.21 1xjs h SER 72 N -1.00 0.25 -0.58 0.00 4.64 -1.02 -2.84 113.55 113.00 1xjs h SER 72 Ca -0.23 -0.63 0.06 0.00 -0.47 0.00 0.00 61.79 60.51 1xjs h SER 72 Cb 1.17 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.14 1xjs h SER 72 CO -0.14 0.84 0.29 0.00 -0.87 0.00 0.00 176.83 176.95 1xjs h ALA 73 N 0.41 0.76 -0.04 5.18 0.00 -1.67 0.16 119.26 124.06 1xjs h ALA 73 Ca -0.01 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1xjs h ALA 73 Cb 0.82 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1xjs h ALA 73 CO 0.04 -0.06 -0.40 0.66 0.00 0.00 0.00 179.25 179.50 1xjs h SER 74 N 0.55 0.09 -0.01 0.00 4.64 -1.67 0.20 113.55 117.35 1xjs h SER 74 Ca 0.26 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.47 1xjs h SER 74 Cb 0.19 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1xjs h SER 74 CO -0.19 0.48 -0.29 -0.03 -0.87 0.00 0.00 176.83 175.93 1xjs h MET 75 N 0.08 0.22 -0.52 4.77 -1.53 -1.08 -2.46 114.93 114.41 1xjs h MET 75 Ca 0.01 -0.22 -0.02 0.00 -3.44 0.00 0.00 59.70 56.03 1xjs h MET 75 Cb 0.74 0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 31.82 1xjs h MET 75 CO 0.05 0.93 0.23 0.52 0.14 0.00 0.00 176.91 178.78 1xjs h MET 76 N -0.41 0.74 0.00 0.39 2.86 -0.56 -0.80 114.93 117.15 1xjs h MET 76 Ca -0.03 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 1xjs h MET 76 Cb 1.02 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 1xjs h MET 76 CO 0.06 0.59 -0.24 1.15 1.06 0.00 0.00 176.91 179.53 1xjs h THR 77 N 0.74 0.58 -0.09 2.22 2.02 -0.97 0.15 112.91 117.56 1xjs h THR 77 Ca 0.18 -1.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.12 1xjs h THR 77 Cb 0.11 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1xjs h THR 77 CO -0.02 0.24 -0.20 -0.61 0.37 0.00 0.00 175.52 175.30 1xjs h GLN 78 N 0.00 0.29 0.00 6.66 -0.00 -0.66 0.09 115.11 121.48 1xjs h GLN 78 Ca -0.00 -0.19 -0.09 0.00 -0.00 0.00 0.00 58.65 58.36 1xjs h GLN 78 Cb 0.78 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.27 1xjs h GLN 78 CO 0.03 0.80 -0.45 0.00 0.00 0.00 0.00 178.83 179.21 1xjs h ALA 79 N 0.49 1.15 0.00 3.38 0.00 -1.26 -2.78 119.26 120.24 1xjs h ALA 79 Ca -0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1xjs h ALA 79 Cb 0.80 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1xjs h ALA 79 CO 0.04 0.56 -0.57 0.97 0.00 0.00 0.00 179.25 180.25 1xjs h ILE 80 N 0.00 1.18 0.00 0.00 -0.00 -0.57 -2.83 117.51 115.29 1xjs h ILE 80 Ca -0.00 -2.13 -0.02 0.00 -0.00 0.00 0.00 64.86 62.71 1xjs h ILE 80 Cb 0.85 2.23 -0.00 0.00 -0.00 0.00 0.00 36.82 39.90 1xjs h ILE 80 CO 0.06 0.56 -0.07 0.50 -0.00 0.00 0.00 178.15 179.19 1xjs h LYS 81 N 0.00 0.00 -1.12 2.19 3.64 -0.68 -1.48 116.57 119.12 1xjs h LYS 81 Ca -0.01 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.87 1xjs h LYS 81 Cb 1.18 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.76 1xjs h LYS 81 CO 0.07 0.07 0.65 0.41 -2.27 0.00 0.00 179.45 178.38 1xjs n GLY 82 N -1.26 4.80 3.36 5.01 0.00 -1.07 -4.59 105.19 111.43 1xjs n GLY 82 Ca -0.03 -1.51 -0.19 0.00 0.00 0.00 0.00 46.02 44.29 1xjs n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xjs s LYS 83 N -2.95 1.61 0.00 1.61 1.02 -0.56 -5.07 119.74 115.40 1xjs s LYS 83 Ca 0.50 -1.92 0.00 0.00 0.02 0.00 0.00 55.97 54.58 1xjs s LYS 83 Cb 0.40 -0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 1xjs s LYS 83 CO 0.03 -0.42 0.00 -0.25 -0.92 0.00 0.00 175.35 173.79 1xjs n ASP 84 N -0.90 1.96 0.08 2.83 8.00 -1.26 -2.02 116.55 125.25 1xjs n ASP 84 Ca 0.00 -0.25 -0.20 0.00 0.71 0.00 0.00 54.79 55.05 1xjs n ASP 84 Cb 0.65 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.60 1xjs n ASP 84 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1xjs h ILE 85 N 0.25 1.11 -0.42 0.53 5.03 -1.86 -2.40 117.51 119.75 1xjs h ILE 85 Ca 0.00 -2.69 0.02 0.00 -0.12 0.00 0.00 64.86 62.07 1xjs h ILE 85 Cb 0.00 2.81 -0.03 0.00 -3.03 0.00 0.00 36.82 36.57 1xjs h ILE 85 CO 0.00 0.83 0.24 -0.08 -0.68 0.00 0.00 178.15 178.46 1xjs h GLU 86 N 0.09 0.47 0.00 2.37 4.57 -1.96 -1.83 114.58 118.29 1xjs h GLU 86 Ca -0.28 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1xjs h GLU 86 Cb 2.07 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.55 1xjs h GLU 86 CO 0.19 0.31 -0.12 1.79 -1.18 0.00 0.00 179.01 180.00 1xjs h THR 87 N 0.48 0.00 -0.11 0.32 1.35 -1.97 -3.12 112.91 109.87 1xjs h THR 87 Ca 0.17 -0.92 -0.22 0.00 -0.55 0.00 0.00 66.41 64.89 1xjs h THR 87 Cb 0.02 1.85 0.01 0.00 -1.73 0.00 0.00 68.15 68.31 1xjs h THR 87 CO -0.08 0.00 -0.80 0.00 -0.25 0.00 0.00 175.52 174.39 1xjs h ALA 88 N 2.08 0.24 -0.29 6.62 0.00 -0.90 0.89 119.26 127.91 1xjs h ALA 88 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1xjs h ALA 88 Cb 0.96 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1xjs h ALA 88 CO 0.00 0.63 0.12 -0.07 0.00 0.00 0.00 179.25 179.93 1xjs h LEU 89 N 0.44 0.40 -1.33 0.00 -0.00 -1.40 -1.93 115.31 111.49 1xjs h LEU 89 Ca -0.07 -0.17 -0.07 0.00 -0.00 0.00 0.00 57.88 57.58 1xjs h LEU 89 Cb 1.44 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.98 1xjs h LEU 89 CO 0.16 0.46 -0.33 0.28 -0.00 0.00 0.00 178.44 179.02 1xjs h SER 90 N 0.32 0.00 0.06 -0.43 0.02 -1.52 0.33 113.55 112.34 1xjs h SER 90 Ca 0.10 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1xjs h SER 90 Cb 0.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1xjs h SER 90 CO -0.01 0.33 -0.21 -0.03 -1.14 0.00 0.00 176.83 175.76 1xjs h MET 91 N 0.00 0.27 0.00 3.45 1.85 -0.44 -1.00 114.93 119.07 1xjs h MET 91 Ca -0.00 -0.08 -0.20 0.00 -0.61 0.00 0.00 59.70 58.80 1xjs h MET 91 Cb 0.63 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.60 1xjs h MET 91 CO 0.04 0.48 -1.23 1.03 -0.40 0.00 0.00 176.91 176.84 1xjs h SER 92 N 0.25 0.00 -0.04 1.39 0.87 -0.46 0.47 113.55 116.03 1xjs h SER 92 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1xjs h SER 92 Cb 0.53 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1xjs h SER 92 CO 0.04 0.80 0.02 0.50 -0.53 0.00 0.00 176.83 177.66 1xjs h LYS 93 N 0.00 0.05 0.00 2.24 3.11 0.01 -1.61 116.57 120.37 1xjs h LYS 93 Ca -0.13 -0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.61 1xjs h LYS 93 Cb 1.73 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.93 1xjs h LYS 93 CO 0.08 0.05 -0.47 0.97 -2.81 0.00 0.00 179.45 177.27 1xjs h ILE 94 N 0.04 0.92 -0.62 2.00 2.10 -1.25 -2.16 117.51 118.53 1xjs h ILE 94 Ca 0.01 -1.96 0.04 0.00 1.08 0.00 0.00 64.86 64.03 1xjs h ILE 94 Cb 0.01 2.21 -0.04 0.00 -1.09 0.00 0.00 36.82 37.91 1xjs h ILE 94 CO -0.00 0.46 0.37 0.15 -1.08 0.00 0.00 178.15 178.05 1xjs h PHE 95 N 0.00 0.68 0.12 2.19 3.57 -0.34 0.16 116.94 123.32 1xjs h PHE 95 Ca -0.00 0.02 -0.29 0.00 3.53 0.00 0.00 57.97 61.23 1xjs h PHE 95 Cb 1.18 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 1xjs h PHE 95 CO 0.00 0.37 -1.37 0.77 -2.23 0.00 0.00 178.31 175.85 1xjs h SER 96 N 0.71 0.38 0.45 0.41 0.02 -1.32 -3.35 113.55 110.85 1xjs h SER 96 Ca 0.26 -0.46 -0.12 0.00 -0.84 0.00 0.00 61.79 60.63 1xjs h SER 96 Cb 0.08 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1xjs h SER 96 CO -0.13 1.37 -0.53 -0.78 -1.14 0.00 0.00 176.83 175.62 1xjs h ASP 97 N 0.07 0.09 -0.78 3.07 3.58 -1.03 -3.27 116.42 118.16 1xjs h ASP 97 Ca -0.18 -0.05 0.05 0.00 0.42 0.00 0.00 57.03 57.27 1xjs h ASP 97 Cb 1.98 -0.03 -0.05 0.00 1.72 0.00 0.00 39.33 42.96 1xjs h ASP 97 CO 0.18 0.61 0.51 0.00 -2.88 0.00 0.00 179.24 177.66 1xjs h MET 98 N 0.07 0.88 0.00 0.28 -0.00 -0.83 0.69 114.93 116.02 1xjs h MET 98 Ca -0.00 -0.05 -0.12 0.00 -0.00 0.00 0.00 59.70 59.52 1xjs h MET 98 Cb 0.96 -0.20 -0.02 0.00 -0.00 0.00 0.00 31.60 32.35 1xjs h MET 98 CO 0.07 0.58 -0.58 1.98 -0.00 0.00 0.00 176.91 178.97 1xjs h MET 99 N 0.91 0.00 0.18 -0.10 1.85 -1.79 -2.00 114.93 113.97 1xjs h MET 99 Ca 0.32 0.00 -0.34 0.00 -0.61 0.00 0.00 59.70 59.07 1xjs h MET 99 Cb 0.12 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.16 1xjs h MET 99 CO -0.10 0.58 -1.64 0.37 -0.40 0.00 0.00 176.91 175.72 1xjs h GLN 100 N 0.00 0.38 0.17 0.39 5.75 -1.45 -3.37 115.11 116.97 1xjs h GLN 100 Ca -0.01 -0.64 -0.01 0.00 -0.15 0.00 0.00 58.65 57.84 1xjs h GLN 100 Cb 1.44 0.24 0.00 0.00 1.07 0.00 0.00 27.48 30.23 1xjs h GLN 100 CO 0.08 1.28 -0.08 0.78 -2.65 0.00 0.00 178.83 178.24 1xjs h GLY 101 N 0.89 -0.23 0.00 2.39 0.00 -0.96 -3.50 103.07 101.67 1xjs h GLY 101 Ca -0.30 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1xjs h GLY 101 CO 0.19 -0.09 0.00 1.17 0.00 0.00 0.00 176.54 177.81 1xjs n LYS 102 N -4.92 0.00 -3.05 4.80 4.81 -0.77 -5.10 118.16 113.93 1xjs n LYS 102 Ca -0.07 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.42 1xjs n LYS 102 Cb 0.25 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.30 1xjs n LYS 102 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1xjs s GLU 103 N 0.00 0.11 -0.30 1.64 2.12 -1.08 -4.64 118.70 116.55 1xjs s GLU 103 Ca 0.00 0.06 -0.13 0.00 0.36 0.00 0.00 54.97 55.26 1xjs s GLU 103 Cb 0.00 0.04 0.14 0.00 0.26 0.00 0.00 34.13 34.57 1xjs s GLU 103 CO 0.00 -0.20 0.82 1.52 -0.54 0.00 0.00 175.26 176.86 1xjs s TYR 104 N 2.72 -0.98 -0.59 5.30 -0.85 -1.26 -5.06 117.35 116.63 1xjs s TYR 104 Ca 0.26 1.75 0.04 0.00 -0.52 0.00 0.00 57.07 58.60 1xjs s TYR 104 Cb 0.00 0.59 0.16 0.00 0.38 0.00 0.00 41.96 43.09 1xjs s TYR 104 CO -0.21 -0.48 0.41 0.34 -1.52 0.00 0.00 175.55 174.09 1xjs s ASP 105 N 2.37 3.92 0.00 -0.18 2.15 -1.26 -4.57 116.67 119.09 1xjs s ASP 105 Ca -0.06 -3.46 0.00 0.00 0.43 0.00 0.00 52.55 49.46 1xjs s ASP 105 Cb -0.08 -1.31 0.00 0.00 -0.30 0.00 0.00 42.92 41.23 1xjs s ASP 105 CO -0.18 -0.14 0.00 -0.67 -0.17 0.00 0.00 175.17 174.01 1xjs n ASP 106 N 2.45 0.00 -0.12 -0.34 2.03 -1.26 -0.11 116.55 119.21 1xjs n ASP 106 Ca 0.19 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.65 1xjs n ASP 106 Cb 0.37 0.00 0.74 0.00 -0.72 0.00 0.00 41.12 41.52 1xjs n ASP 106 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xjs n SER 107 N 0.98 0.41 -1.40 1.67 3.41 -1.26 -4.89 113.62 112.54 1xjs n SER 107 Ca 0.00 -0.84 -0.10 0.00 -0.26 0.00 0.00 58.87 57.67 1xjs n SER 107 Cb 0.00 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 63.90 1xjs n SER 107 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1xjs n ILE 108 N -0.82 -0.79 -3.42 -1.33 2.08 0.85 -4.99 119.36 110.94 1xjs n ILE 108 Ca 0.19 0.00 -0.44 0.00 0.56 0.00 0.00 62.75 63.05 1xjs n ILE 108 Cb 0.22 -2.01 -0.04 0.00 -0.75 0.00 0.00 39.64 37.06 1xjs n ILE 108 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 1xjs s ASP 109 N -2.77 6.33 0.00 4.38 1.01 -1.23 -4.84 116.67 119.55 1xjs s ASP 109 Ca 0.10 -2.55 0.27 0.00 0.71 0.00 0.00 52.55 51.08 1xjs s ASP 109 Cb -0.04 -2.13 0.93 0.00 1.01 0.00 0.00 42.92 42.68 1xjs s ASP 109 CO 0.12 -0.58 1.67 0.18 0.21 0.00 0.00 175.17 176.78 1xjs n LEU 110 N 4.11 1.71 -0.18 1.23 7.99 -1.26 -4.18 117.00 126.42 1xjs n LEU 110 Ca 0.08 -0.58 -0.09 0.00 -0.01 0.00 0.00 56.01 55.41 1xjs n LEU 110 Cb 0.44 -0.01 0.01 0.00 -0.11 0.00 0.00 43.42 43.75 1xjs n LEU 110 CO 0.37 0.29 0.89 1.23 -1.51 0.00 0.00 177.39 178.65 1xjs h GLY 111 N 4.84 0.88 0.90 -0.72 0.00 -1.99 0.31 103.07 107.30 1xjs h GLY 111 Ca 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 1xjs h GLY 111 CO 0.00 0.52 -0.06 -0.55 0.00 0.00 0.00 176.54 176.45 1xjs h ASP 112 N 0.71 0.61 0.01 0.19 5.19 -2.01 -2.75 116.42 118.36 1xjs h ASP 112 Ca 0.16 -0.35 -0.06 0.00 -0.62 0.00 0.00 57.03 56.16 1xjs h ASP 112 Cb 0.35 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 1xjs h ASP 112 CO 0.00 0.82 -0.15 0.40 -3.12 0.00 0.00 179.24 177.19 1xjs h ILE 113 N 0.38 1.20 -0.63 0.35 1.08 -1.74 -2.50 117.51 115.64 1xjs h ILE 113 Ca 0.08 -0.88 -0.01 0.00 -0.39 0.00 0.00 64.86 63.66 1xjs h ILE 113 Cb 0.54 1.23 -0.03 0.00 -3.07 0.00 0.00 36.82 35.49 1xjs h ILE 113 CO 0.03 0.28 0.33 -0.08 -0.69 0.00 0.00 178.15 178.02 1xjs h GLU 114 N 0.27 0.88 0.00 2.37 4.57 -0.10 0.13 114.58 122.69 1xjs h GLU 114 Ca 0.05 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1xjs h GLU 114 Cb 0.42 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1xjs h GLU 114 CO 0.03 0.66 0.00 0.00 -1.18 0.00 0.00 179.01 178.51 1xjs n ALA 115 N -2.44 1.71 0.65 2.92 0.00 -0.95 -1.68 120.51 120.72 1xjs n ALA 115 Ca 0.06 0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.59 1xjs n ALA 115 Cb 0.11 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 1xjs n ALA 115 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xjs n LEU 116 N -1.92 1.25 -0.01 0.00 7.94 0.10 -4.63 117.00 119.72 1xjs n LEU 116 Ca 0.03 -0.68 -0.00 0.00 -1.11 0.00 0.00 56.01 54.24 1xjs n LEU 116 Cb 0.22 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.17 1xjs n LEU 116 CO 0.18 0.25 -0.02 -0.61 -1.11 0.00 0.00 177.39 176.08 1xjs h GLN 117 N 1.12 0.00 -0.86 1.96 5.75 0.06 -3.28 115.11 119.85 1xjs h GLN 117 Ca 0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1xjs h GLN 117 Cb 0.44 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.95 1xjs h GLN 117 CO 0.00 0.00 0.46 0.78 -2.65 0.00 0.00 178.83 177.42 1xjs h GLY 118 N -0.19 1.29 2.00 2.39 0.00 -1.84 -2.04 103.07 104.67 1xjs h GLY 118 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1xjs h GLY 118 CO 0.00 0.57 0.00 -0.39 0.00 0.00 0.00 176.54 176.72 1xjs h VAL 119 N 1.20 0.00 0.00 4.60 -1.51 -1.82 -3.17 116.25 115.55 1xjs h VAL 119 Ca 0.30 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1xjs h VAL 119 Cb 0.04 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 1xjs h VAL 119 CO -0.05 0.00 0.03 -0.24 -1.23 0.00 0.00 177.57 176.09 1xjs n SER 120 N -3.03 0.41 0.00 4.19 2.88 -0.77 -1.84 113.62 115.46 1xjs n SER 120 Ca 0.00 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 1xjs n SER 120 Cb 0.29 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 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 -2.06 4.27 -1.80 -1.46 -0.00 -1.20 -4.56 118.16 111.36 1xjs n LYS 121 Ca -0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.88 1xjs n LYS 121 Cb 0.06 -0.54 -0.03 0.00 -0.00 0.00 0.00 35.03 34.52 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 -0.40 2.50 0.52 5.58 0.08 -1.21 -4.81 117.98 120.25 1xjs s PHE 122 Ca 0.00 0.23 0.25 0.00 0.12 0.00 0.00 56.93 57.53 1xjs s PHE 122 Cb 0.00 -4.09 1.38 0.00 -0.57 0.00 0.00 43.02 39.74 1xjs s PHE 122 CO 0.00 -4.31 1.75 -1.35 -0.10 0.00 0.00 175.22 171.21 1xjs h PRO 123 N 7.90 0.00 0.00 0.24 0.11 -1.95 0.52 132.00 138.81 1xjs h PRO 123 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 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 0.94 0.00 -0.99 0.00 -0.21 0.00 0.00 178.00 177.74 1xjs n ALA 124 N -1.81 4.53 -0.34 -0.75 0.00 -1.26 -4.46 120.51 116.42 1xjs n ALA 124 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1xjs n ALA 124 Cb 0.39 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.51 0.23 -0.14 0.00 3.00 0.60 -4.76 116.66 114.08 1xjs n ARG 125 Ca 0.03 -0.24 0.01 0.00 -0.01 0.00 0.00 57.85 57.64 1xjs n ARG 125 Cb 0.32 -0.71 0.28 0.00 0.00 0.00 0.00 32.46 32.35 1xjs n ARG 125 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 1xjs h ILE 126 N 0.34 1.18 0.00 0.55 2.10 0.63 -0.08 117.51 122.23 1xjs h ILE 126 Ca 0.00 -0.43 -0.03 0.00 1.08 0.00 0.00 64.86 65.49 1xjs h ILE 126 Cb 0.17 0.33 -0.00 0.00 -1.09 0.00 0.00 36.82 36.23 1xjs h ILE 126 CO 0.00 0.19 -0.67 0.11 -1.08 0.00 0.00 178.15 176.70 1xjs h LYS 127 N 0.85 0.00 -0.07 2.19 1.57 -1.83 0.30 116.57 119.58 1xjs h LYS 127 Ca 0.22 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 1xjs h LYS 127 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1xjs h LYS 127 CO -0.04 0.07 -0.58 0.00 -0.57 0.00 0.00 179.45 178.33 1xjs h ALA 129 N 1.24 -0.15 -0.62 0.00 0.00 -0.89 -3.06 119.26 115.77 1xjs h ALA 129 Ca -0.00 -0.86 0.02 0.00 0.00 0.00 0.00 54.91 54.06 1xjs h ALA 129 Cb 1.07 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1xjs h ALA 129 CO 0.09 0.71 0.40 1.15 0.00 0.00 0.00 179.25 181.60 1xjs h THR 130 N 0.15 1.12 -0.46 0.00 2.02 -0.32 0.22 112.91 115.64 1xjs h THR 130 Ca -0.25 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 1xjs h THR 130 Cb 2.17 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 1xjs h THR 130 CO 0.27 0.15 0.08 0.17 0.37 0.00 0.00 175.52 176.56 1xjs h LEU 131 N 0.80 0.66 0.10 2.58 8.10 -0.73 0.40 115.31 127.22 1xjs h LEU 131 Ca 0.24 -0.12 -0.00 0.00 0.11 0.00 0.00 57.88 58.10 1xjs h LEU 131 Cb -0.04 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 40.01 1xjs h LEU 131 CO -0.08 0.68 -0.05 0.28 -4.11 0.00 0.00 178.44 175.17 1xjs h SER 132 N 0.68 -0.11 -0.01 0.17 0.02 -1.34 -2.81 113.55 110.15 1xjs h SER 132 Ca 0.15 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1xjs h SER 132 Cb 0.31 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1xjs h SER 132 CO 0.00 0.47 -0.00 -0.25 -1.14 0.00 0.00 176.83 175.91 1xjs h TRP 133 N -0.77 0.03 0.00 3.45 7.01 -0.43 -2.83 115.95 122.41 1xjs h TRP 133 Ca -0.01 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 60.92 1xjs h TRP 133 Cb 0.57 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 1xjs h TRP 133 CO 0.11 0.37 -0.28 0.87 -2.79 0.00 0.00 178.44 176.71 1xjs h LYS 134 N -0.32 0.00 -0.11 2.65 1.79 -0.35 0.22 116.57 120.44 1xjs h LYS 134 Ca 0.00 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 1xjs h LYS 134 Cb 0.36 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1xjs h LYS 134 CO 0.00 0.28 -0.43 0.00 -1.08 0.00 0.00 179.45 178.23 1xjs h ALA 135 N 1.72 1.07 0.17 3.86 0.00 -1.41 0.11 119.26 124.78 1xjs h ALA 135 Ca -0.00 -0.42 -0.35 0.00 0.00 0.00 0.00 54.91 54.14 1xjs h ALA 135 Cb 0.63 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xjs h ALA 135 CO 0.04 0.60 -1.73 1.25 0.00 0.00 0.00 179.25 179.41 1xjs h LEU 136 N 0.21 0.58 -0.39 0.00 5.85 -1.09 -3.28 115.31 117.20 1xjs h LEU 136 Ca 0.02 -0.87 -0.04 0.00 0.84 0.00 0.00 57.88 57.83 1xjs h LEU 136 Cb 0.84 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1xjs h LEU 136 CO 0.07 1.73 0.08 -0.08 -0.34 0.00 0.00 178.44 179.90 1xjs h GLU 137 N 0.10 0.63 0.00 1.25 4.81 -0.60 -2.95 114.58 117.82 1xjs h GLU 137 Ca -0.33 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1xjs h GLU 137 Cb 2.09 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.39 1xjs h GLU 137 CO 0.17 0.68 0.00 1.17 -0.73 0.00 0.00 179.01 180.30 1xjs n LYS 138 N -4.55 0.13 -0.02 1.92 4.81 0.38 -1.53 118.16 119.30 1xjs n LYS 138 Ca -0.01 0.38 -0.00 0.00 -0.87 0.00 0.00 58.31 57.81 1xjs n LYS 138 Cb 0.22 -1.76 -0.00 0.00 0.02 0.00 0.00 35.03 33.51 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 2.21 0.00 -0.73 3.14 0.00 -1.57 -3.46 103.07 102.66 1xjs h GLY 139 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xjs h GLY 139 CO 0.00 0.00 -0.28 3.33 0.00 0.00 0.00 176.54 179.59 1xjs n VAL 140 N -3.35 0.00 -4.29 4.60 0.24 -1.20 -5.06 118.33 109.27 1xjs n VAL 140 Ca -0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 1xjs n VAL 140 Cb 0.01 0.48 -0.16 0.00 -1.47 0.00 0.00 33.84 32.70 1xjs n VAL 140 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xjs s ALA 141 N 0.00 2.07 -0.00 2.33 0.00 -0.58 -3.62 121.76 121.95 1xjs s ALA 141 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1xjs s ALA 141 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.08 1xjs s ALA 141 CO 0.00 -0.23 1.00 1.17 0.00 0.00 0.00 175.76 177.70 1xjs n LYS 142 N 4.45 0.00 0.00 0.00 4.81 -1.26 -4.51 118.16 121.65 1xjs n LYS 142 Ca -0.19 -1.00 0.00 0.00 -0.87 0.00 0.00 58.31 56.24 1xjs n LYS 142 Cb 0.51 0.50 0.00 0.00 0.02 0.00 0.00 35.03 36.05 1xjs n LYS 142 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1xjs n GLU 143 N 0.00 0.00 0.00 1.64 2.13 -1.23 -3.73 120.64 119.44 1xjs n GLU 143 Ca -0.28 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.54 1xjs n GLU 143 Cb 0.70 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.41 1xjs n GLU 143 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1xjs n GLU 144 N 0.00 0.00 0.00 5.31 0.28 -1.26 -4.05 120.64 120.92 1xjs n GLU 144 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1xjs n GLU 144 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1xjs n GLU 144 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xjs n GLY 145 N 0.00 -1.26 0.00 -1.84 0.00 -1.24 -4.77 105.19 96.08 1xjs n GLY 145 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 4.46 1.95 0.33 -0.02 0.00 -1.26 -5.04 105.19 105.61 1xjs n GLY 146 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1xjs n GLY 146 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31