#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 6.02 0.06 7.83 0.01 -1.26 -4.99 113.70 121.37 1xjs s SER 2 Ca 0.00 0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.57 1xjs s SER 2 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1xjs s SER 2 CO 0.00 -1.80 -0.02 0.72 0.41 0.00 0.00 173.24 172.56 1xjs s PHE 3 N 6.41 2.97 -0.98 2.43 -0.71 -1.26 -5.05 117.98 121.79 1xjs s PHE 3 Ca 0.54 -0.02 -0.22 0.00 -1.04 0.00 0.00 56.93 56.19 1xjs s PHE 3 Cb -0.11 -1.57 0.07 0.00 -1.21 0.00 0.00 43.02 40.20 1xjs s PHE 3 CO 0.24 0.45 1.34 -0.80 -1.34 0.00 0.00 175.22 175.12 1xjs s ASN 4 N -2.00 6.52 -0.71 1.98 -0.87 -1.26 -4.91 114.94 113.69 1xjs s ASN 4 Ca 0.23 -1.59 -0.12 0.00 -1.57 0.00 0.00 52.86 49.81 1xjs s ASN 4 Cb -0.12 -2.52 0.19 0.00 -0.02 0.00 0.00 41.25 38.78 1xjs s ASN 4 CO 0.14 -1.39 0.63 0.00 -2.57 0.00 0.00 177.10 173.92 1xjs s ALA 5 N 4.31 3.87 -0.84 0.60 0.00 -1.26 -5.00 121.76 123.44 1xjs s ALA 5 Ca 0.41 -3.10 -0.22 0.00 0.00 0.00 0.00 51.96 49.05 1xjs s ALA 5 Cb -0.02 -3.28 -0.20 0.00 0.00 0.00 0.00 23.12 19.61 1xjs s ALA 5 CO -0.09 -2.17 2.39 -1.71 0.00 0.00 0.00 175.76 174.18 1xjs n ASN 6 N 4.21 0.59 0.00 0.00 2.85 -1.26 -1.04 115.26 120.62 1xjs n ASN 6 Ca 0.06 -0.69 0.00 0.00 -0.11 0.00 0.00 54.58 53.83 1xjs n ASN 6 Cb 0.44 -1.16 0.00 0.00 1.24 0.00 0.00 39.78 40.30 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 12.54 0.00 -0.16 1.20 7.94 -1.26 -4.81 117.00 132.45 1xjs n LEU 7 Ca 0.55 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 55.38 1xjs n LEU 7 Cb 0.29 -0.04 0.02 0.00 0.53 0.00 0.00 43.42 44.21 1xjs n LEU 7 CO 0.82 0.00 1.07 0.44 -1.11 0.00 0.00 177.39 178.62 1xjs h ASP 8 N 0.00 0.55 -0.42 1.96 3.32 -1.51 -2.08 116.42 118.24 1xjs h ASP 8 Ca 0.00 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1xjs h ASP 8 Cb 0.00 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1xjs h ASP 8 CO 0.00 0.39 0.27 0.74 -1.72 0.00 0.00 179.24 178.93 1xjs h THR 9 N 0.65 1.10 0.45 0.35 2.02 -1.86 -2.70 112.91 112.92 1xjs h THR 9 Ca 0.18 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1xjs h THR 9 Cb -0.07 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1xjs h THR 9 CO -0.04 0.10 -0.22 -0.07 0.37 0.00 0.00 175.52 175.66 1xjs h LEU 10 N 0.56 -0.52 -1.11 2.58 3.38 -1.80 -2.98 115.31 115.42 1xjs h LEU 10 Ca 0.16 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1xjs h LEU 10 Cb -0.05 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1xjs h LEU 10 CO -0.04 -0.13 0.09 0.10 0.09 0.00 0.00 178.44 178.55 1xjs h TYR 11 N -1.09 0.74 0.00 1.13 -0.00 -1.45 0.50 116.97 116.80 1xjs h TYR 11 Ca -0.06 -0.07 -0.13 0.00 -0.00 0.00 0.00 58.73 58.47 1xjs h TYR 11 Cb 0.47 -0.22 -0.02 0.00 -0.00 0.00 0.00 36.73 36.96 1xjs h TYR 11 CO 0.01 0.65 -0.63 -0.09 -0.00 0.00 0.00 178.16 178.09 1xjs h ARG 12 N 0.70 0.00 0.02 0.10 2.43 -1.61 0.33 114.38 116.35 1xjs h ARG 12 Ca 0.15 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.11 1xjs h ARG 12 Cb 0.30 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1xjs h ARG 12 CO 0.00 0.63 -0.85 0.37 -1.51 0.00 0.00 179.97 178.61 1xjs h GLN 13 N 0.00 0.54 -0.28 0.20 4.15 -1.09 -2.94 115.11 115.69 1xjs h GLN 13 Ca -0.01 -0.61 -0.02 0.00 0.77 0.00 0.00 58.65 58.78 1xjs h GLN 13 Cb 1.22 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 29.08 1xjs h GLN 13 CO 0.08 1.23 0.11 0.28 -1.93 0.00 0.00 178.83 178.60 1xjs h VAL 14 N 0.12 1.18 -0.15 2.39 2.07 0.35 -0.20 116.25 122.00 1xjs h VAL 14 Ca -0.11 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 1xjs h VAL 14 Cb 1.54 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1xjs h VAL 14 CO 0.17 0.19 -0.30 -0.29 0.02 0.00 0.00 177.57 177.36 1xjs h ILE 15 N 0.30 1.26 -0.12 4.57 2.10 -0.49 -0.15 117.51 124.98 1xjs h ILE 15 Ca 0.09 -1.26 -0.04 0.00 1.08 0.00 0.00 64.86 64.74 1xjs h ILE 15 Cb 0.19 1.48 -0.00 0.00 -1.09 0.00 0.00 36.82 37.40 1xjs h ILE 15 CO -0.01 0.38 -0.07 -0.03 -1.08 0.00 0.00 178.15 177.34 1xjs h MET 16 N 0.25 0.27 -0.15 2.19 4.05 -1.29 -1.05 114.93 119.20 1xjs h MET 16 Ca 0.04 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 1xjs h MET 16 Cb 0.66 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 1xjs h MET 16 CO 0.05 0.62 0.06 0.22 0.23 0.00 0.00 176.91 178.10 1xjs h ASP 17 N -0.10 0.20 1.08 1.39 1.82 -0.85 -2.59 116.42 117.36 1xjs h ASP 17 Ca 0.03 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1xjs h ASP 17 Cb 0.55 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.51 1xjs h ASP 17 CO 0.02 0.29 0.00 -0.74 -1.61 0.00 0.00 179.24 177.20 1xjs h HIS 18 N 0.09 0.00 -0.37 0.28 2.76 -1.05 -0.42 115.15 116.44 1xjs h HIS 18 Ca 0.05 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.12 1xjs h HIS 18 Cb 0.15 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1xjs h HIS 18 CO -0.02 0.00 -0.16 -0.92 -1.30 0.00 0.00 177.93 175.53 1xjs h TYR 19 N 0.00 0.87 0.00 5.26 3.20 -0.89 -2.29 116.97 123.11 1xjs h TYR 19 Ca 0.00 -0.21 -0.08 0.00 3.14 0.00 0.00 58.73 61.58 1xjs h TYR 19 Cb 0.54 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1xjs h TYR 19 CO 0.00 0.94 -0.39 -0.22 -1.64 0.00 0.00 178.16 176.85 1xjs h LYS 20 N 0.55 0.00 -2.64 1.82 3.11 -0.77 -3.36 116.57 115.28 1xjs h LYS 20 Ca 0.09 0.00 -0.59 0.00 -2.81 0.00 0.00 60.65 57.33 1xjs h LYS 20 Cb 0.70 0.00 -0.39 0.00 -1.00 0.00 0.00 32.23 31.54 1xjs h LYS 20 CO 0.05 0.39 -0.85 0.54 -2.81 0.00 0.00 179.45 176.78 1xjs s ASN 21 N -6.54 2.73 0.49 4.20 4.22 -0.32 -5.12 114.94 114.60 1xjs s ASN 21 Ca -0.01 -2.74 0.02 0.00 -2.14 0.00 0.00 52.86 47.99 1xjs s ASN 21 Cb 0.12 -0.66 0.02 0.00 1.28 0.00 0.00 41.25 42.01 1xjs s ASN 21 CO 0.69 -0.23 0.69 -2.16 -2.04 0.00 0.00 177.10 174.06 1xjs s PRO 22 N 0.33 2.79 0.00 3.55 0.04 -0.87 -4.55 135.00 136.29 1xjs s PRO 22 Ca 0.24 -0.75 0.00 0.00 0.04 0.00 0.00 61.00 60.52 1xjs s PRO 22 Cb -0.12 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1xjs s PRO 22 CO -0.08 -0.46 0.68 -2.13 0.04 0.00 0.00 177.00 175.05 1xjs n ARG 23 N -2.15 0.00 -1.10 4.56 3.00 -1.26 -5.02 116.66 114.69 1xjs n ARG 23 Ca 0.05 -0.51 -0.25 0.00 -0.00 0.00 0.00 57.85 57.14 1xjs n ARG 23 Cb 0.59 0.30 0.09 0.00 0.00 0.00 0.00 32.46 33.43 1xjs n ARG 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1xjs n ASN 24 N 0.00 6.11 -3.56 6.15 4.13 -1.26 -4.52 115.26 122.30 1xjs n ASN 24 Ca -0.14 -3.43 -0.24 0.00 1.68 0.00 0.00 54.58 52.45 1xjs n ASN 24 Cb 0.55 -0.94 -0.15 0.00 -1.54 0.00 0.00 39.78 37.70 1xjs n ASN 24 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1xjs s LYS 25 N -2.90 0.12 0.00 3.52 2.20 -1.21 -3.46 119.74 118.01 1xjs s LYS 25 Ca 0.50 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.07 1xjs s LYS 25 Cb 0.40 -1.55 0.00 0.00 -1.51 0.00 0.00 37.83 35.16 1xjs s LYS 25 CO 0.02 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.72 1xjs n GLY 26 N 5.29 2.79 2.90 5.54 0.00 -1.26 -4.79 105.19 115.65 1xjs n GLY 26 Ca -0.06 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1xjs n GLY 26 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xjs s VAL 27 N -1.48 1.28 -0.80 1.61 -7.23 -1.26 -2.49 120.40 110.03 1xjs s VAL 27 Ca 0.00 -0.98 -0.04 0.00 -1.81 0.00 0.00 61.98 59.15 1xjs s VAL 27 Cb 0.00 -1.56 0.20 0.00 0.56 0.00 0.00 36.38 35.58 1xjs s VAL 27 CO 0.00 -0.07 0.67 -0.22 -0.31 0.00 0.00 175.10 175.17 1xjs s LEU 28 N 1.52 5.61 -1.27 1.32 2.96 -1.26 -4.99 118.68 122.58 1xjs s LEU 28 Ca -0.04 -3.28 -0.19 0.00 -0.22 0.00 0.00 54.13 50.40 1xjs s LEU 28 Cb -0.18 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.60 1xjs s LEU 28 CO -0.07 -0.30 1.79 0.21 -1.32 0.00 0.00 176.35 176.66 1xjs s ASN 29 N 0.50 6.32 0.00 3.68 2.47 -1.26 -4.30 114.94 122.34 1xjs s ASN 29 Ca 0.23 -2.23 0.00 0.00 0.42 0.00 0.00 52.86 51.28 1xjs s ASN 29 Cb -0.13 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 1xjs s ASN 29 CO -0.08 -1.72 0.00 -0.67 -3.72 0.00 0.00 177.10 170.90 1xjs n ASP 30 N 10.13 0.00 0.00 -4.21 2.03 -1.26 -5.09 116.55 118.14 1xjs n ASP 30 Ca 0.48 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.79 1xjs n ASP 30 Cb 0.46 0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1xjs n ASP 30 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xjs n SER 31 N -2.00 0.00 -4.73 1.67 7.64 -1.25 -4.96 113.62 109.98 1xjs n SER 31 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1xjs n SER 31 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.00 5.22 -0.36 0.44 1.01 -0.35 -4.95 121.20 122.21 1xjs s ILE 32 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.47 1xjs s ILE 32 Cb 0.00 -3.75 0.11 0.00 0.01 0.00 0.00 42.46 38.83 1xjs s ILE 32 CO 0.00 0.36 0.15 -0.69 0.00 0.00 0.00 174.94 174.76 1xjs s VAL 33 N 0.47 1.09 -0.23 2.92 1.01 -1.25 -1.65 120.40 122.76 1xjs s VAL 33 Ca 0.23 -1.87 -0.01 0.00 0.00 0.00 0.00 61.98 60.33 1xjs s VAL 33 Cb -0.14 -1.80 0.07 0.00 0.00 0.00 0.00 36.38 34.50 1xjs s VAL 33 CO 0.08 -0.77 0.02 0.54 0.00 0.00 0.00 175.10 174.98 1xjs s VAL 34 N 1.11 0.91 0.06 2.92 0.11 -0.01 -5.00 120.40 120.50 1xjs s VAL 34 Ca 0.13 -0.93 -0.09 0.00 -2.93 0.00 0.00 61.98 58.16 1xjs s VAL 34 Cb -0.20 -1.40 -0.05 0.00 -1.53 0.00 0.00 36.38 33.19 1xjs s VAL 34 CO -0.14 -0.27 0.35 -0.62 -3.33 0.00 0.00 175.10 171.10 1xjs s ASP 35 N 1.66 6.59 -0.14 3.54 2.15 -1.26 -0.13 116.67 129.08 1xjs s ASP 35 Ca -0.00 0.71 -0.04 0.00 0.43 0.00 0.00 52.55 53.64 1xjs s ASP 35 Cb -0.18 -2.15 0.07 0.00 -0.30 0.00 0.00 42.92 40.37 1xjs s ASP 35 CO -0.11 0.20 0.19 -0.32 -0.17 0.00 0.00 175.17 174.96 1xjs s MET 36 N -1.87 0.11 0.25 4.34 -2.45 -0.63 -4.95 119.30 114.09 1xjs s MET 36 Ca 0.31 0.39 0.12 0.00 -1.25 0.00 0.00 55.69 55.26 1xjs s MET 36 Cb -0.14 -0.75 -0.05 0.00 1.25 0.00 0.00 34.83 35.14 1xjs s MET 36 CO 0.18 -0.47 -0.21 0.54 1.05 0.00 0.00 175.02 176.10 1xjs s ASN 37 N 2.31 3.50 -0.24 1.11 2.20 -1.26 -1.00 114.94 121.56 1xjs s ASN 37 Ca 0.04 -0.97 -0.03 0.00 -0.94 0.00 0.00 52.86 50.96 1xjs s ASN 37 Cb -0.14 -0.28 0.08 0.00 -2.00 0.00 0.00 41.25 38.91 1xjs s ASN 37 CO -0.09 0.06 0.07 0.21 -2.94 0.00 0.00 177.10 174.41 1xjs s ASN 38 N -3.22 3.27 0.43 3.54 3.84 -0.53 -4.94 114.94 117.32 1xjs s ASN 38 Ca 0.27 -1.09 0.30 0.00 0.21 0.00 0.00 52.86 52.54 1xjs s ASN 38 Cb -0.06 -0.61 1.44 0.00 -0.55 0.00 0.00 41.25 41.47 1xjs s ASN 38 CO 0.13 -0.36 1.90 -0.65 -2.79 0.00 0.00 177.10 175.33 1xjs h PRO 39 N 8.24 0.00 -0.81 0.43 0.11 -1.96 0.61 132.00 138.62 1xjs h PRO 39 Ca -0.16 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.93 1xjs h PRO 39 Cb 1.08 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1xjs h PRO 39 CO 0.38 0.00 0.43 1.15 -0.21 0.00 0.00 178.00 179.76 1xjs h THR 40 N 0.00 1.24 0.00 -1.15 2.02 -1.95 -3.35 112.91 109.72 1xjs h THR 40 Ca 0.00 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1xjs h THR 40 Cb 0.21 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1xjs h THR 40 CO 0.00 0.27 -0.19 0.00 0.37 0.00 0.00 175.52 175.98 1xjs n GLY 42 N 0.73 0.86 3.83 0.00 0.00 0.21 -4.73 105.19 106.08 1xjs n GLY 42 Ca 0.00 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1xjs n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xjs s ASP 43 N -2.20 6.92 -0.15 1.61 1.01 -1.03 -3.84 116.67 118.99 1xjs s ASP 43 Ca 0.00 1.28 -0.04 0.00 0.71 0.00 0.00 52.55 54.50 1xjs s ASP 43 Cb 0.00 -2.37 0.07 0.00 1.01 0.00 0.00 42.92 41.63 1xjs s ASP 43 CO 0.00 -0.00 0.16 -0.13 0.21 0.00 0.00 175.17 175.41 1xjs s ARG 44 N -2.21 0.10 -0.44 8.23 0.52 0.17 -1.45 118.95 123.86 1xjs s ARG 44 Ca 0.44 0.26 0.04 0.00 -0.52 0.00 0.00 55.73 55.95 1xjs s ARG 44 Cb -0.15 -1.02 0.12 0.00 0.52 0.00 0.00 34.95 34.43 1xjs s ARG 44 CO 0.20 -0.53 0.18 0.42 0.02 0.00 0.00 175.30 175.59 1xjs s ILE 45 N 2.27 2.28 -0.67 1.52 1.01 -0.17 -0.75 121.20 126.69 1xjs s ILE 45 Ca 0.04 -2.82 -0.22 0.00 0.00 0.00 0.00 60.65 57.65 1xjs s ILE 45 Cb -0.14 -2.63 0.08 0.00 0.01 0.00 0.00 42.46 39.78 1xjs s ILE 45 CO -0.09 -0.73 0.94 -0.60 0.00 0.00 0.00 174.94 174.46 1xjs s ARG 46 N 0.27 3.14 -0.52 2.79 3.52 -1.18 -1.61 118.95 125.36 1xjs s ARG 46 Ca 0.15 -0.97 -0.23 0.00 -0.13 0.00 0.00 55.73 54.54 1xjs s ARG 46 Cb -0.23 -4.29 0.04 0.00 -1.56 0.00 0.00 34.95 28.91 1xjs s ARG 46 CO -0.04 -1.78 0.86 -0.51 -0.81 0.00 0.00 175.30 173.02 1xjs s LEU 47 N 3.77 4.28 -0.46 -0.88 1.43 0.82 -2.58 118.68 125.06 1xjs s LEU 47 Ca 0.21 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1xjs s LEU 47 Cb -0.17 -2.80 0.12 0.00 0.03 0.00 0.00 46.19 43.38 1xjs s LEU 47 CO 0.08 -1.10 0.23 0.42 0.23 0.00 0.00 176.35 176.21 1xjs s THR 48 N 3.58 3.03 0.18 5.49 -4.23 0.14 -0.83 115.64 123.01 1xjs s THR 48 Ca 0.28 -2.55 0.05 0.00 -1.18 0.00 0.00 61.69 58.29 1xjs s THR 48 Cb -0.14 -3.08 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 1xjs s THR 48 CO 0.19 -0.73 0.19 -0.04 -0.54 0.00 0.00 174.62 173.68 1xjs s MET 49 N 0.57 3.03 -0.57 3.99 1.00 -0.66 0.22 119.30 126.88 1xjs s MET 49 Ca 0.12 -0.85 0.04 0.00 0.00 0.00 0.00 55.69 55.01 1xjs s MET 49 Cb -0.22 -2.70 0.14 0.00 0.00 0.00 0.00 34.83 32.05 1xjs s MET 49 CO -0.04 0.47 0.32 0.21 0.00 0.00 0.00 175.02 175.99 1xjs s LYS 50 N -3.31 2.06 -0.56 2.03 2.36 0.20 -1.21 119.74 121.31 1xjs s LYS 50 Ca 0.32 -2.79 -0.23 0.00 -2.55 0.00 0.00 55.97 50.72 1xjs s LYS 50 Cb -0.10 -3.27 0.05 0.00 -1.05 0.00 0.00 37.83 33.46 1xjs s LYS 50 CO 0.25 -1.17 0.91 -0.48 1.55 0.00 0.00 175.35 176.41 1xjs s LEU 51 N -0.58 4.23 -0.93 5.43 2.34 -1.26 -3.09 118.68 124.82 1xjs s LEU 51 Ca 0.19 -0.49 -0.01 0.00 0.06 0.00 0.00 54.13 53.89 1xjs s LEU 51 Cb -0.20 -2.74 0.30 0.00 -0.56 0.00 0.00 46.19 43.00 1xjs s LEU 51 CO -0.05 -1.22 1.36 -0.67 -1.06 0.00 0.00 176.35 174.71 1xjs n ASP 52 N 7.35 5.90 0.00 1.48 2.03 -1.22 -4.84 116.55 127.26 1xjs n ASP 52 Ca 0.00 -3.50 0.00 0.00 0.52 0.00 0.00 54.79 51.81 1xjs n ASP 52 Cb 0.47 -1.06 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 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 0.80 0.40 0.39 0.27 0.00 -1.26 -4.75 105.19 101.05 1xjs n GLY 53 Ca 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1xjs n GLY 53 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xjs n ASP 54 N 0.00 0.11 -4.39 1.61 5.75 -1.26 -5.07 116.55 113.30 1xjs n ASP 54 Ca 0.00 -1.87 -0.29 0.00 -0.01 0.00 0.00 54.79 52.62 1xjs n ASP 54 Cb 0.00 -0.17 -0.13 0.00 -1.03 0.00 0.00 41.12 39.79 1xjs n ASP 54 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1xjs s ILE 55 N -0.13 2.23 -0.34 2.12 -5.25 -1.26 -1.37 121.20 117.21 1xjs s ILE 55 Ca 0.01 -1.75 -0.10 0.00 -0.99 0.00 0.00 60.65 57.82 1xjs s ILE 55 Cb 0.01 -1.98 0.02 0.00 2.95 0.00 0.00 42.46 43.46 1xjs s ILE 55 CO 0.00 0.08 0.17 -0.69 -1.79 0.00 0.00 174.94 172.71 1xjs s VAL 56 N -1.07 4.44 -0.08 8.37 1.01 -0.29 -3.38 120.40 129.39 1xjs s VAL 56 Ca 0.14 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1xjs s VAL 56 Cb -0.10 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1xjs s VAL 56 CO 0.06 -0.09 -0.09 1.21 0.00 0.00 0.00 175.10 176.19 1xjs n GLU 57 N 4.96 0.18 -4.22 2.72 2.13 -1.20 -3.59 120.64 121.62 1xjs n GLU 57 Ca -0.13 0.06 -0.31 0.00 0.66 0.00 0.00 57.16 57.44 1xjs n GLU 57 Cb 0.47 -0.94 -0.09 0.00 0.27 0.00 0.00 31.44 31.15 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 -5.32 4.95 -0.20 4.31 2.15 -1.18 -4.74 116.67 116.65 1xjs s ASP 58 Ca -0.11 -0.14 -0.06 0.00 0.43 0.00 0.00 52.55 52.67 1xjs s ASP 58 Cb 0.04 -1.20 0.09 0.00 -0.30 0.00 0.00 42.92 41.56 1xjs s ASP 58 CO 0.16 0.22 0.40 0.00 -0.17 0.00 0.00 175.17 175.78 1xjs s ALA 59 N -1.20 -1.10 -0.31 3.66 0.00 -1.26 0.60 121.76 122.14 1xjs s ALA 59 Ca 0.23 1.38 -0.04 0.00 0.00 0.00 0.00 51.96 53.52 1xjs s ALA 59 Cb -0.12 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.69 1xjs s ALA 59 CO 0.14 -0.82 0.05 0.15 0.00 0.00 0.00 175.76 175.28 1xjs s LYS 60 N 2.59 2.65 -0.27 0.00 -0.14 0.13 -4.92 119.74 119.78 1xjs s LYS 60 Ca 0.01 -1.14 0.01 0.00 -1.36 0.00 0.00 55.97 53.48 1xjs s LYS 60 Cb -0.12 -3.30 0.08 0.00 -1.68 0.00 0.00 37.83 32.80 1xjs s LYS 60 CO -0.13 -0.59 0.02 -0.59 -0.76 0.00 0.00 175.35 173.30 1xjs s PHE 61 N 1.36 2.37 -1.17 3.18 -0.71 -1.09 0.26 117.98 122.17 1xjs s PHE 61 Ca -0.02 -1.93 -0.21 0.00 -1.04 0.00 0.00 56.93 53.73 1xjs s PHE 61 Cb -0.19 -1.84 -0.01 0.00 -1.21 0.00 0.00 43.02 39.77 1xjs s PHE 61 CO 0.01 -0.83 1.80 -2.00 -1.34 0.00 0.00 175.22 172.86 1xjs s GLU 62 N 1.40 3.20 -0.39 1.99 2.12 -1.04 -3.29 118.70 122.69 1xjs s GLU 62 Ca 0.02 -1.37 -0.12 0.00 0.36 0.00 0.00 54.97 53.87 1xjs s GLU 62 Cb -0.18 -5.35 0.03 0.00 0.26 0.00 0.00 34.13 28.89 1xjs s GLU 62 CO -0.12 -3.04 0.24 0.20 -0.54 0.00 0.00 175.26 172.00 1xjs s GLY 63 N 5.64 1.96 0.19 -1.50 0.00 -1.22 -3.10 107.32 109.27 1xjs s GLY 63 Ca 0.60 -1.79 0.07 0.00 0.00 0.00 0.00 44.72 43.60 1xjs s GLY 63 CO 0.07 0.89 -0.14 -1.83 0.00 0.00 0.00 173.10 172.09 1xjs s GLU 64 N 1.57 1.25 0.00 2.90 -1.05 0.07 -4.84 118.70 118.60 1xjs s GLU 64 Ca 0.03 -1.54 0.00 0.00 -0.15 0.00 0.00 54.97 53.31 1xjs s GLU 64 Cb -0.20 -1.01 0.00 0.00 -0.44 0.00 0.00 34.13 32.48 1xjs s GLU 64 CO 0.07 0.16 0.00 0.41 0.95 0.00 0.00 175.26 176.85 1xjs n GLY 65 N -0.27 0.27 3.96 -3.83 0.00 -1.25 0.42 105.19 104.48 1xjs n GLY 65 Ca -0.09 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 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 0.82 -0.14 -0.07 0.00 4.64 -1.99 -2.17 113.55 114.64 1xjs h SER 67 Ca -0.41 0.11 -0.14 0.00 -0.47 0.00 0.00 61.79 60.88 1xjs h SER 67 Cb 1.27 0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.53 1xjs h SER 67 CO 0.50 -0.04 -0.41 0.16 -0.87 0.00 0.00 176.83 176.17 1xjs h ILE 68 N 0.16 1.30 -0.15 0.95 -0.00 -1.97 0.02 117.51 117.82 1xjs h ILE 68 Ca 0.25 -1.58 -0.12 0.00 -0.00 0.00 0.00 64.86 63.41 1xjs h ILE 68 Cb 0.37 1.55 0.00 0.00 -0.00 0.00 0.00 36.82 38.74 1xjs h ILE 68 CO -0.39 0.50 -0.39 0.28 -0.00 0.00 0.00 178.15 178.15 1xjs h SER 69 N 0.49 0.60 0.87 2.16 0.02 -1.80 0.46 113.55 116.35 1xjs h SER 69 Ca 0.04 -0.58 -0.04 0.00 -0.84 0.00 0.00 61.79 60.36 1xjs h SER 69 Cb 0.92 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1xjs h SER 69 CO 0.08 1.08 -0.21 -0.03 -1.14 0.00 0.00 176.83 176.61 1xjs h MET 70 N 0.16 0.00 0.00 3.45 1.85 -1.34 -2.95 114.93 116.10 1xjs h MET 70 Ca -0.01 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1xjs h MET 70 Cb 1.01 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.04 1xjs h MET 70 CO 0.09 0.21 -0.39 0.00 -0.40 0.00 0.00 176.91 176.42 1xjs h ALA 71 N 1.79 0.00 0.03 0.39 0.00 -0.68 -3.37 119.26 117.42 1xjs h ALA 71 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xjs h ALA 71 Cb 0.71 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xjs h ALA 71 CO 0.03 0.39 -0.01 1.03 0.00 0.00 0.00 179.25 180.68 1xjs h SER 72 N -0.90 -0.03 -0.88 0.00 0.87 -0.18 0.86 113.55 113.29 1xjs h SER 72 Ca 0.00 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.21 1xjs h SER 72 Cb 0.39 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 1xjs h SER 72 CO 0.00 0.33 0.51 0.00 -0.53 0.00 0.00 176.83 177.14 1xjs h ALA 73 N 0.55 1.13 -0.08 6.23 0.00 -1.67 0.20 119.26 125.62 1xjs h ALA 73 Ca -0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1xjs h ALA 73 Cb 0.37 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xjs h ALA 73 CO 0.01 0.61 -0.45 1.03 0.00 0.00 0.00 179.25 180.45 1xjs h SER 74 N 1.22 0.20 -0.15 0.00 0.87 -1.69 -1.71 113.55 112.29 1xjs h SER 74 Ca 0.31 -0.09 -0.19 0.00 -1.23 0.00 0.00 61.79 60.60 1xjs h SER 74 Cb -0.02 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1xjs h SER 74 CO -0.06 0.62 -0.65 -0.03 -0.53 0.00 0.00 176.83 176.19 1xjs h MET 75 N 0.16 0.70 -0.07 2.24 -1.53 0.60 -1.98 114.93 115.04 1xjs h MET 75 Ca 0.01 -0.56 -0.03 0.00 -3.44 0.00 0.00 59.70 55.68 1xjs h MET 75 Cb 0.85 0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 32.01 1xjs h MET 75 CO 0.07 1.17 -0.10 0.52 0.14 0.00 0.00 176.91 178.71 1xjs h MET 76 N 0.39 0.10 0.00 0.39 2.86 -0.57 -0.57 114.93 117.53 1xjs h MET 76 Ca -0.04 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1xjs h MET 76 Cb 1.29 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 1xjs h MET 76 CO 0.14 0.21 -0.15 1.15 1.06 0.00 0.00 176.91 179.32 1xjs h THR 77 N 0.10 0.34 -0.12 2.22 2.02 -0.99 0.66 112.91 117.15 1xjs h THR 77 Ca 0.02 -1.01 -0.13 0.00 0.77 0.00 0.00 66.41 66.06 1xjs h THR 77 Cb 0.25 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1xjs h THR 77 CO 0.01 0.15 -0.51 1.56 0.37 0.00 0.00 175.52 177.10 1xjs h GLN 78 N 0.00 0.32 0.07 6.66 1.08 -0.34 0.18 115.11 123.08 1xjs h GLN 78 Ca -0.00 -0.18 -0.28 0.00 -1.45 0.00 0.00 58.65 56.74 1xjs h GLN 78 Cb 0.76 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.19 1xjs h GLN 78 CO 0.02 0.75 -1.40 0.00 -0.95 0.00 0.00 178.83 177.25 1xjs h ALA 79 N 1.22 0.35 -0.04 3.87 0.00 -1.36 -3.37 119.26 119.93 1xjs h ALA 79 Ca 0.01 -1.09 -0.15 0.00 0.00 0.00 0.00 54.91 53.67 1xjs h ALA 79 Cb 0.98 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1xjs h ALA 79 CO 0.08 1.22 -0.68 0.97 0.00 0.00 0.00 179.25 180.84 1xjs h ILE 80 N 0.04 1.43 0.00 0.00 -0.00 -0.55 -2.99 117.51 115.44 1xjs h ILE 80 Ca -0.18 -2.19 0.00 0.00 -0.00 0.00 0.00 64.86 62.48 1xjs h ILE 80 Cb 1.95 2.16 0.00 0.00 -0.00 0.00 0.00 36.82 40.93 1xjs h ILE 80 CO 0.15 0.64 0.00 0.07 -0.00 0.00 0.00 178.15 179.01 1xjs h LYS 81 N 0.11 0.00 -0.08 2.19 2.10 -0.80 -2.78 116.57 117.32 1xjs h LYS 81 Ca -0.01 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.60 1xjs h LYS 81 Cb 1.21 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.52 1xjs h LYS 81 CO 0.10 0.00 -0.31 0.41 -2.00 0.00 0.00 179.45 177.65 1xjs n GLY 82 N -0.71 5.01 0.00 0.07 0.00 -1.13 -3.82 105.19 104.61 1xjs n GLY 82 Ca -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.15 1.18 -4.15 1.61 5.02 -1.05 -5.04 118.16 114.58 1xjs n LYS 83 Ca 0.21 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.38 1xjs n LYS 83 Cb 0.76 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.66 1xjs n LYS 83 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xjs s ASP 84 N 1.00 1.15 0.19 4.39 1.11 -1.26 -1.14 116.67 122.11 1xjs s ASP 84 Ca 0.00 -0.86 -0.12 0.00 0.18 0.00 0.00 52.55 51.75 1xjs s ASP 84 Cb 0.00 0.06 0.11 0.00 1.07 0.00 0.00 42.92 44.16 1xjs s ASP 84 CO 0.00 -0.36 1.81 0.40 1.18 0.00 0.00 175.17 178.20 1xjs h ILE 85 N 3.44 1.20 -0.89 0.77 5.03 -1.53 0.54 117.51 126.07 1xjs h ILE 85 Ca -0.36 -0.50 0.09 0.00 -0.12 0.00 0.00 64.86 63.97 1xjs h ILE 85 Cb 1.18 0.35 -0.07 0.00 -3.03 0.00 0.00 36.82 35.25 1xjs h ILE 85 CO 0.57 0.22 0.54 -0.08 -0.68 0.00 0.00 178.15 178.72 1xjs h GLU 86 N 0.89 0.89 0.08 2.37 4.81 -1.94 0.27 114.58 121.95 1xjs h GLU 86 Ca 0.23 -0.05 -0.25 0.00 -0.13 0.00 0.00 59.36 59.16 1xjs h GLU 86 Cb 0.03 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 1xjs h GLU 86 CO -0.04 0.59 -1.14 1.15 -0.73 0.00 0.00 179.01 178.84 1xjs h THR 87 N 0.92 1.53 -0.53 0.32 2.02 -1.71 -2.93 112.91 112.53 1xjs h THR 87 Ca 0.42 -3.03 -0.10 0.00 0.77 0.00 0.00 66.41 64.47 1xjs h THR 87 Cb 0.33 2.84 -0.02 0.00 -1.74 0.00 0.00 68.15 69.56 1xjs h THR 87 CO -0.23 0.88 -0.05 0.00 0.37 0.00 0.00 175.52 176.49 1xjs h ALA 88 N 0.71 0.72 -0.10 6.16 0.00 0.91 0.74 119.26 128.39 1xjs h ALA 88 Ca -0.10 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1xjs h ALA 88 Cb 1.85 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1xjs h ALA 88 CO 0.18 0.58 -0.18 -0.07 0.00 0.00 0.00 179.25 179.76 1xjs h LEU 89 N 0.84 0.15 -0.52 0.00 4.07 -0.57 -0.09 115.31 119.19 1xjs h LEU 89 Ca 0.14 -0.03 -0.17 0.00 0.08 0.00 0.00 57.88 57.90 1xjs h LEU 89 Cb 0.60 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1xjs h LEU 89 CO 0.04 0.35 -0.67 0.28 -1.08 0.00 0.00 178.44 177.36 1xjs h SER 90 N 0.15 0.38 -0.04 -0.43 0.02 -1.23 0.63 113.55 113.03 1xjs h SER 90 Ca 0.03 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.64 1xjs h SER 90 Cb 0.42 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1xjs h SER 90 CO 0.03 0.94 -0.29 -0.03 -1.14 0.00 0.00 176.83 176.34 1xjs h MET 91 N 0.23 0.49 0.00 3.45 1.85 0.23 0.50 114.93 121.67 1xjs h MET 91 Ca -0.02 -0.20 -0.23 0.00 -0.61 0.00 0.00 59.70 58.65 1xjs h MET 91 Cb 1.21 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 33.18 1xjs h MET 91 CO 0.11 0.73 -1.15 0.66 -0.40 0.00 0.00 176.91 176.86 1xjs h SER 92 N 0.42 0.00 -0.60 1.39 4.64 -0.98 0.28 113.55 118.70 1xjs h SER 92 Ca 0.06 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 1xjs h SER 92 Cb 0.72 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 1xjs h SER 92 CO 0.06 1.00 0.19 0.50 -0.87 0.00 0.00 176.83 177.71 1xjs h LYS 93 N 0.00 0.93 0.00 4.77 3.64 -0.60 0.72 116.57 126.03 1xjs h LYS 93 Ca -0.07 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.01 1xjs h LYS 93 Cb 1.82 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.49 1xjs h LYS 93 CO 0.12 0.83 -0.49 0.97 -2.27 0.00 0.00 179.45 178.61 1xjs h ILE 94 N 0.85 0.86 -0.78 2.00 2.10 -0.89 -2.71 117.51 118.95 1xjs h ILE 94 Ca 0.19 -2.13 -0.03 0.00 1.08 0.00 0.00 64.86 63.97 1xjs h ILE 94 Cb 0.28 2.36 -0.04 0.00 -1.09 0.00 0.00 36.82 38.34 1xjs h ILE 94 CO -0.01 0.48 0.36 0.15 -1.08 0.00 0.00 178.15 178.05 1xjs h PHE 95 N 0.00 1.15 -0.13 2.19 3.04 0.02 0.18 116.94 123.39 1xjs h PHE 95 Ca -0.00 -0.07 -0.06 0.00 3.98 0.00 0.00 57.97 61.82 1xjs h PHE 95 Cb 1.32 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 39.47 1xjs h PHE 95 CO 0.00 0.85 -0.21 0.77 -2.02 0.00 0.00 178.31 177.70 1xjs h SER 96 N 1.11 0.21 1.41 0.41 0.02 -0.76 -2.74 113.55 113.22 1xjs h SER 96 Ca 0.27 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 61.04 1xjs h SER 96 Cb 0.15 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1xjs h SER 96 CO -0.03 0.44 -0.58 -0.78 -1.14 0.00 0.00 176.83 174.74 1xjs h ASP 97 N 0.21 0.00 -1.01 3.07 1.82 -1.04 -3.33 116.42 116.14 1xjs h ASP 97 Ca 0.04 0.00 0.24 0.00 -0.39 0.00 0.00 57.03 56.91 1xjs h ASP 97 Cb 0.50 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 40.39 1xjs h ASP 97 CO 0.03 0.58 0.61 -0.03 -1.61 0.00 0.00 179.24 178.82 1xjs h MET 98 N 0.00 0.58 0.00 0.28 4.05 -0.34 0.58 114.93 120.09 1xjs h MET 98 Ca -0.01 -0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 59.26 1xjs h MET 98 Cb 1.44 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 32.09 1xjs h MET 98 CO 0.07 0.39 -0.56 1.98 0.23 0.00 0.00 176.91 179.02 1xjs h MET 99 N 0.60 0.00 0.04 0.39 1.85 -1.71 -2.75 114.93 113.35 1xjs h MET 99 Ca 0.63 0.00 -0.37 0.00 -0.61 0.00 0.00 59.70 59.35 1xjs h MET 99 Cb 1.19 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 33.17 1xjs h MET 99 CO -0.44 0.56 -2.21 1.04 -0.40 0.00 0.00 176.91 175.47 1xjs n GLN 100 N -3.38 0.69 0.01 0.39 1.13 0.50 -4.58 117.38 112.14 1xjs n GLN 100 Ca 0.01 0.18 -0.01 0.00 -1.94 0.00 0.00 57.00 55.23 1xjs n GLN 100 Cb 0.69 -1.62 -0.01 0.00 0.11 0.00 0.00 30.24 29.42 1xjs n GLN 100 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1xjs h GLY 101 N 2.23 -0.09 0.00 1.08 0.00 -0.09 -3.50 103.07 102.70 1xjs h GLY 101 Ca -0.48 0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1xjs h GLY 101 CO 0.01 -0.03 0.00 0.28 0.00 0.00 0.00 176.54 176.80 1xjs n LYS 102 N -3.62 0.00 0.00 4.80 5.02 -1.05 -5.08 118.16 118.23 1xjs n LYS 102 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1xjs n LYS 102 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.04 1xjs n LYS 102 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1xjs n GLU 103 N -0.09 0.00 -3.63 1.97 2.13 -1.15 -4.60 120.64 115.26 1xjs n GLU 103 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1xjs n GLU 103 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 1xjs n GLU 103 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 1xjs s TYR 104 N 0.00 -0.59 -0.24 4.31 1.13 -1.26 -4.93 117.35 115.77 1xjs s TYR 104 Ca 0.00 1.43 -0.01 0.00 -1.41 0.00 0.00 57.07 57.08 1xjs s TYR 104 Cb 0.00 0.33 0.07 0.00 -1.10 0.00 0.00 41.96 41.26 1xjs s TYR 104 CO 0.00 -0.28 0.04 0.34 -2.51 0.00 0.00 175.55 173.13 1xjs s ASP 105 N 0.28 3.52 0.00 -0.18 -1.08 -1.26 -4.53 116.67 113.41 1xjs s ASP 105 Ca 0.02 -1.19 0.00 0.00 -0.52 0.00 0.00 52.55 50.86 1xjs s ASP 105 Cb -0.05 -0.83 0.00 0.00 -1.46 0.00 0.00 42.92 40.58 1xjs s ASP 105 CO -0.04 -0.33 0.00 -0.67 0.52 0.00 0.00 175.17 174.66 1xjs n ASP 106 N 4.89 0.00 -0.63 -0.34 -0.08 -1.26 -1.82 116.55 117.31 1xjs n ASP 106 Ca -0.07 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.32 1xjs n ASP 106 Cb 0.45 0.00 0.37 0.00 2.34 0.00 0.00 41.12 44.28 1xjs n ASP 106 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1xjs n SER 107 N 0.76 1.90 -3.32 1.67 7.64 -1.26 -4.94 113.62 116.07 1xjs n SER 107 Ca 0.00 -1.72 -0.17 0.00 1.01 0.00 0.00 58.87 58.00 1xjs n SER 107 Cb 0.00 -0.10 0.07 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.48 -8.35 -4.03 0.44 -0.00 -0.75 -5.03 119.36 102.11 1xjs n ILE 108 Ca 0.17 -1.18 -0.23 0.00 -0.00 0.00 0.00 62.75 61.51 1xjs n ILE 108 Cb 0.38 -6.07 -0.17 0.00 -0.00 0.00 0.00 39.64 33.78 1xjs n ILE 108 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1xjs s ASP 109 N -3.57 1.49 -0.08 4.38 -1.08 -1.26 -4.90 116.67 111.66 1xjs s ASP 109 Ca 0.38 -0.17 0.12 0.00 -0.52 0.00 0.00 52.55 52.36 1xjs s ASP 109 Cb -0.06 -0.57 0.29 0.00 -1.46 0.00 0.00 42.92 41.13 1xjs s ASP 109 CO 0.75 -0.10 1.22 0.18 0.52 0.00 0.00 175.17 177.73 1xjs n LEU 110 N 4.56 2.85 0.19 -1.34 7.99 -1.26 -4.55 117.00 125.44 1xjs n LEU 110 Ca -0.16 -2.50 -0.14 0.00 -0.01 0.00 0.00 56.01 53.19 1xjs n LEU 110 Cb 0.50 -0.30 -0.07 0.00 -0.11 0.00 0.00 43.42 43.44 1xjs n LEU 110 CO 0.18 0.66 0.70 1.23 -1.51 0.00 0.00 177.39 178.65 1xjs h GLY 111 N 1.06 -0.58 1.23 -0.72 0.00 -1.99 0.26 103.07 102.34 1xjs h GLY 111 Ca 0.00 0.28 -0.17 0.00 0.00 0.00 0.00 47.33 47.44 1xjs h GLY 111 CO 0.06 -0.23 -0.49 -0.55 0.00 0.00 0.00 176.54 175.33 1xjs h ASP 112 N -0.56 0.89 0.28 0.19 5.19 -2.01 -3.26 116.42 117.15 1xjs h ASP 112 Ca -0.02 -0.45 -0.18 0.00 -0.62 0.00 0.00 57.03 55.75 1xjs h ASP 112 Cb 0.49 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 1xjs h ASP 112 CO -0.02 1.23 -0.74 0.40 -3.12 0.00 0.00 179.24 176.99 1xjs h ILE 113 N 0.64 1.38 -0.07 0.35 2.04 -1.83 -2.95 117.51 117.07 1xjs h ILE 113 Ca 0.03 -2.17 -0.03 0.00 1.00 0.00 0.00 64.86 63.69 1xjs h ILE 113 Cb 1.08 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 1xjs h ILE 113 CO 0.11 0.65 -0.09 -0.08 0.00 0.00 0.00 178.15 178.74 1xjs h GLU 114 N 0.26 0.10 -0.00 2.37 4.81 -0.53 0.19 114.58 121.79 1xjs h GLU 114 Ca -0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1xjs h GLU 114 Cb 1.32 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1xjs h GLU 114 CO 0.13 0.20 -0.04 0.00 -0.73 0.00 0.00 179.01 178.57 1xjs n ALA 115 N -2.51 2.42 -0.11 2.92 0.00 -1.13 -2.02 120.51 120.08 1xjs n ALA 115 Ca -0.02 -0.12 -0.23 0.00 0.00 0.00 0.00 53.44 53.08 1xjs n ALA 115 Cb 0.20 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.50 2.48 0.21 0.00 7.94 0.24 -4.30 117.00 122.07 1xjs n LEU 116 Ca 0.07 0.13 0.13 0.00 -1.11 0.00 0.00 56.01 55.23 1xjs n LEU 116 Cb 0.34 -0.92 0.31 0.00 0.53 0.00 0.00 43.42 43.67 1xjs n LEU 116 CO 0.28 0.74 0.86 0.06 -1.11 0.00 0.00 177.39 178.21 1xjs h GLN 117 N -0.42 0.00 0.03 1.96 3.07 -0.83 -3.17 115.11 115.76 1xjs h GLN 117 Ca -0.57 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.17 1xjs h GLN 117 Cb 1.77 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.33 1xjs h GLN 117 CO -0.18 0.00 -0.02 0.78 0.09 0.00 0.00 178.83 179.50 1xjs h GLY 118 N 3.68 -0.04 2.00 0.06 0.00 -1.60 -2.92 103.07 104.24 1xjs h GLY 118 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1xjs h GLY 118 CO 0.00 -0.02 0.00 -0.39 0.00 0.00 0.00 176.54 176.13 1xjs h VAL 119 N -0.20 0.00 0.00 4.60 -1.51 -1.74 -3.09 116.25 114.31 1xjs h VAL 119 Ca -0.00 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1xjs h VAL 119 Cb 0.18 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1xjs h VAL 119 CO 0.01 0.00 0.12 -1.20 -1.23 0.00 0.00 177.57 175.27 1xjs n SER 120 N -2.96 0.19 0.00 4.19 7.64 -1.10 -2.50 113.62 119.08 1xjs n SER 120 Ca 0.01 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1xjs n SER 120 Cb 0.33 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1xjs n SER 120 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1xjs n LYS 121 N -1.71 4.52 -2.95 1.43 5.02 -1.17 -4.53 118.16 118.77 1xjs n LYS 121 Ca -0.00 -0.06 -0.40 0.00 -2.02 0.00 0.00 58.31 55.82 1xjs n LYS 121 Cb 0.13 -0.47 -0.04 0.00 -0.02 0.00 0.00 35.03 34.63 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 -0.66 3.65 0.54 2.13 0.08 -1.04 -4.92 117.98 117.76 1xjs s PHE 122 Ca 0.00 1.43 0.24 0.00 0.12 0.00 0.00 56.93 58.71 1xjs s PHE 122 Cb 0.00 -2.88 1.28 0.00 -0.57 0.00 0.00 43.02 40.86 1xjs s PHE 122 CO 0.00 0.13 1.70 -1.35 -0.10 0.00 0.00 175.22 175.60 1xjs h PRO 123 N 6.38 0.00 -0.00 0.24 0.11 -1.93 0.29 132.00 137.09 1xjs h PRO 123 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1xjs h PRO 123 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xjs h PRO 123 CO 0.74 0.00 -0.65 0.00 -0.21 0.00 0.00 178.00 177.88 1xjs n ALA 124 N -1.78 3.86 -0.18 -0.75 0.00 -1.26 -4.51 120.51 115.89 1xjs n ALA 124 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1xjs n ALA 124 Cb 0.43 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.03 2.42 0.14 0.00 5.12 0.96 -4.62 116.66 119.65 1xjs n ARG 125 Ca 0.04 -1.31 -0.00 0.00 -1.93 0.00 0.00 57.85 54.65 1xjs n ARG 125 Cb 0.28 -0.91 0.15 0.00 -1.16 0.00 0.00 32.46 30.82 1xjs n ARG 125 CO 0.00 0.00 0.00 -0.84 -1.93 0.00 0.00 177.63 174.86 1xjs h ILE 126 N 0.53 1.31 0.00 0.55 3.07 -1.35 0.39 117.51 122.00 1xjs h ILE 126 Ca 0.00 -2.21 -0.13 0.00 1.55 0.00 0.00 64.86 64.08 1xjs h ILE 126 Cb 0.58 2.23 -0.02 0.00 -0.27 0.00 0.00 36.82 39.34 1xjs h ILE 126 CO 0.00 0.60 -0.95 0.50 -1.05 0.00 0.00 178.15 177.25 1xjs h LYS 127 N 0.00 0.00 0.00 0.16 1.63 -1.86 -2.98 116.57 113.51 1xjs h LYS 127 Ca -0.01 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.56 1xjs h LYS 127 Cb 1.18 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.78 1xjs h LYS 127 CO 0.08 0.38 -1.34 0.00 -3.45 0.00 0.00 179.45 175.11 1xjs h ALA 129 N 1.12 0.05 -0.01 0.00 0.00 -0.33 -3.11 119.26 116.98 1xjs h ALA 129 Ca -0.16 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1xjs h ALA 129 Cb 1.81 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1xjs h ALA 129 CO 0.09 0.18 -0.07 1.79 0.00 0.00 0.00 179.25 181.25 1xjs h THR 130 N -0.35 1.06 0.03 0.00 1.35 -1.65 -0.73 112.91 112.61 1xjs h THR 130 Ca -0.05 -0.26 0.01 0.00 -0.55 0.00 0.00 66.41 65.56 1xjs h THR 130 Cb 1.12 1.12 -0.04 0.00 -1.73 0.00 0.00 68.15 68.62 1xjs h THR 130 CO 0.07 0.08 -0.36 0.25 -0.25 0.00 0.00 175.52 175.31 1xjs h LEU 131 N 0.02 -1.10 -0.25 3.87 6.46 -1.47 0.98 115.31 123.82 1xjs h LEU 131 Ca 0.00 0.12 -0.06 0.00 -0.12 0.00 0.00 57.88 57.83 1xjs h LEU 131 Cb 0.13 0.42 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1xjs h LEU 131 CO 0.01 -0.36 -0.08 0.28 -0.62 0.00 0.00 178.44 177.67 1xjs h SER 132 N -0.47 0.50 0.19 1.25 0.02 -1.36 -1.65 113.55 112.03 1xjs h SER 132 Ca 0.00 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 1xjs h SER 132 Cb 0.50 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1xjs h SER 132 CO -0.23 0.77 -0.09 -0.25 -1.14 0.00 0.00 176.83 175.89 1xjs h TRP 133 N 0.23 -0.24 0.00 3.45 7.01 -1.15 -2.73 115.95 122.51 1xjs h TRP 133 Ca 0.06 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.05 1xjs h TRP 133 Cb 0.56 0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.70 1xjs h TRP 133 CO 0.05 -0.05 0.00 -0.22 -2.79 0.00 0.00 178.44 175.44 1xjs h LYS 134 N -0.39 0.00 -0.88 2.65 3.64 -0.85 -1.58 116.57 119.15 1xjs h LYS 134 Ca -0.03 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1xjs h LYS 134 Cb 0.30 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1xjs h LYS 134 CO 0.04 0.00 0.58 0.00 -2.27 0.00 0.00 179.45 177.80 1xjs h ALA 135 N 2.04 1.11 0.23 5.00 0.00 -0.98 0.31 119.26 126.97 1xjs h ALA 135 Ca 0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.51 1xjs h ALA 135 Cb 0.69 -0.36 0.03 0.00 0.00 0.00 0.00 17.79 18.15 1xjs h ALA 135 CO 0.00 0.52 -1.57 -0.07 0.00 0.00 0.00 179.25 178.13 1xjs h LEU 136 N 1.19 0.75 -2.34 0.00 4.07 -1.35 -1.07 115.31 116.55 1xjs h LEU 136 Ca 0.32 -0.89 -0.00 0.00 0.08 0.00 0.00 57.88 57.39 1xjs h LEU 136 Cb -0.14 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.36 1xjs h LEU 136 CO -0.07 1.72 -0.01 -0.33 -1.08 0.00 0.00 178.44 178.67 1xjs h GLU 137 N 0.13 0.00 0.00 1.13 4.39 -1.14 -2.59 114.58 116.51 1xjs h GLU 137 Ca -0.28 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.04 1xjs h GLU 137 Cb 2.14 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 30.72 1xjs h GLU 137 CO 0.24 0.01 -2.39 1.17 -1.16 0.00 0.00 179.01 176.88 1xjs n LYS 138 N -3.13 0.67 0.23 2.33 4.81 0.11 -3.24 118.16 119.94 1xjs n LYS 138 Ca -0.02 0.09 -0.14 0.00 -0.87 0.00 0.00 58.31 57.37 1xjs n LYS 138 Cb 0.17 -1.54 -0.08 0.00 0.02 0.00 0.00 35.03 33.60 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 2.95 -0.61 -2.30 3.14 0.00 -0.89 -3.25 103.07 102.10 1xjs h GLY 139 Ca -0.55 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1xjs h GLY 139 CO -0.02 -0.22 0.00 3.33 0.00 0.00 0.00 176.54 179.63 1xjs n VAL 140 N -5.24 0.67 -0.41 4.60 0.24 -1.00 -5.00 118.33 112.19 1xjs n VAL 140 Ca -0.11 -0.84 0.06 0.00 -2.04 0.00 0.00 64.34 61.41 1xjs n VAL 140 Cb 0.29 0.81 -0.01 0.00 -1.47 0.00 0.00 33.84 33.46 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 1.44 -1.06 -3.02 2.33 0.00 -1.23 -4.83 120.51 114.15 1xjs n ALA 141 Ca 0.20 0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.66 1xjs n ALA 141 Cb 0.59 -0.37 -0.12 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.53 0.20 0.00 0.00 -2.85 -1.19 -4.59 119.74 109.78 1xjs s LYS 142 Ca 0.00 0.10 0.00 0.00 -1.00 0.00 0.00 55.97 55.07 1xjs s LYS 142 Cb 0.00 0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.86 1xjs s LYS 142 CO 0.00 -0.03 0.00 -1.91 0.10 0.00 0.00 175.35 173.51 1xjs n GLU 143 N 2.80 0.00 0.00 1.78 2.13 -1.18 -3.01 120.64 123.16 1xjs n GLU 143 Ca -0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.68 1xjs n GLU 143 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 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 0.00 0.00 0.00 5.31 2.13 -1.26 -4.40 120.64 122.42 1xjs n GLU 144 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xjs n GLU 144 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1xjs n GLU 144 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xjs n GLY 145 N -1.32 2.02 0.03 8.31 0.00 -1.16 -5.05 105.19 108.03 1xjs n GLY 145 Ca 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 46.02 44.90 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 5.00 -0.14 0.84 -0.02 0.00 -1.26 -3.17 105.19 106.44 1xjs n GLY 146 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1xjs n GLY 146 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02