#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 5.27 0.00 7.83 0.15 -1.26 -4.72 113.70 120.97 1xjs s SER 2 Ca 0.00 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1xjs s SER 2 Cb 0.00 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.91 1xjs s SER 2 CO 0.00 0.25 0.00 0.33 1.20 0.00 0.00 173.24 175.02 1xjs n PHE 3 N 1.15 0.00 -1.68 3.44 7.35 -1.26 -4.68 117.46 121.78 1xjs n PHE 3 Ca -0.13 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.38 1xjs n PHE 3 Cb 0.52 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.29 1xjs n PHE 3 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1xjs n ASN 4 N 2.58 -5.21 -1.17 -2.13 4.13 -1.26 -4.58 115.26 107.61 1xjs n ASN 4 Ca 0.00 0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.62 1xjs n ASN 4 Cb 0.00 -4.31 0.00 0.00 -1.54 0.00 0.00 39.78 33.93 1xjs n ASN 4 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xjs n ALA 5 N 0.73 -1.67 -0.04 5.41 0.00 -1.26 -4.36 120.51 119.32 1xjs n ALA 5 Ca -0.19 0.35 -0.04 0.00 0.00 0.00 0.00 53.44 53.56 1xjs n ALA 5 Cb 0.61 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 1xjs n ALA 5 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1xjs h ASN 6 N 0.59 -0.03 0.00 0.00 -0.00 -2.02 -3.41 115.58 110.71 1xjs h ASN 6 Ca 0.00 -0.21 -0.37 0.00 -0.00 0.00 0.00 56.30 55.72 1xjs h ASN 6 Cb 0.41 0.01 -0.07 0.00 -0.00 0.00 0.00 38.32 38.67 1xjs h ASN 6 CO 0.00 0.57 -2.39 -0.11 -0.00 0.00 0.00 177.43 175.50 1xjs n LEU 7 N -4.77 2.98 -0.05 0.34 0.00 -1.26 -4.20 117.00 110.04 1xjs n LEU 7 Ca -0.03 -0.13 -0.08 0.00 0.00 0.00 0.00 56.01 55.78 1xjs n LEU 7 Cb 0.12 -0.85 -0.01 0.00 0.00 0.00 0.00 43.42 42.67 1xjs n LEU 7 CO 0.09 0.91 0.73 -0.78 0.00 0.00 0.00 177.39 178.34 1xjs h ASP 8 N 0.00 -0.62 1.08 1.96 3.58 -1.90 -0.26 116.42 120.25 1xjs h ASP 8 Ca -0.54 0.12 -0.11 0.00 0.42 0.00 0.00 57.03 56.92 1xjs h ASP 8 Cb 1.84 0.31 -0.02 0.00 1.72 0.00 0.00 39.33 43.19 1xjs h ASP 8 CO -0.08 -0.23 -0.52 0.74 -2.88 0.00 0.00 179.24 176.26 1xjs h THR 9 N -0.18 1.03 0.12 2.25 2.02 -1.79 -2.93 112.91 113.43 1xjs h THR 9 Ca 0.14 -2.08 -0.01 0.00 0.77 0.00 0.00 66.41 65.24 1xjs h THR 9 Cb 0.40 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1xjs h THR 9 CO -0.36 0.51 -0.06 -0.07 0.37 0.00 0.00 175.52 175.91 1xjs h LEU 10 N 0.00 -0.14 -1.27 2.58 3.38 -1.48 -2.92 115.31 115.46 1xjs h LEU 10 Ca -0.01 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 1xjs h LEU 10 Cb 1.20 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1xjs h LEU 10 CO 0.07 0.46 -0.36 0.10 0.09 0.00 0.00 178.44 178.79 1xjs h TYR 11 N -0.88 0.00 -0.27 1.13 -0.00 -1.19 0.25 116.97 116.02 1xjs h TYR 11 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.64 1xjs h TYR 11 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.25 1xjs h TYR 11 CO 0.10 0.36 -0.16 -0.09 -0.00 0.00 0.00 178.16 178.38 1xjs h ARG 12 N 0.00 0.47 0.01 0.10 2.43 -1.60 0.28 114.38 116.07 1xjs h ARG 12 Ca -0.00 -0.14 -0.25 0.00 -0.81 0.00 0.00 59.98 58.77 1xjs h ARG 12 Cb 0.66 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1xjs h ARG 12 CO 0.05 0.62 -1.01 1.96 -1.51 0.00 0.00 179.97 180.07 1xjs h GLN 13 N 0.43 0.55 -0.11 0.20 4.20 -1.01 -2.41 115.11 116.96 1xjs h GLN 13 Ca 0.08 -0.61 0.00 0.00 0.06 0.00 0.00 58.65 58.18 1xjs h GLN 13 Cb 0.53 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1xjs h GLN 13 CO 0.03 1.23 0.07 0.28 -0.67 0.00 0.00 178.83 179.77 1xjs h VAL 14 N 0.31 1.05 0.00 -0.54 2.07 0.11 0.30 116.25 119.54 1xjs h VAL 14 Ca -0.11 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 1xjs h VAL 14 Cb 1.66 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1xjs h VAL 14 CO 0.19 0.04 -0.44 -0.29 0.02 0.00 0.00 177.57 177.09 1xjs h ILE 15 N 0.14 1.17 0.04 4.57 2.10 -0.56 -2.35 117.51 122.61 1xjs h ILE 15 Ca 0.04 -1.57 -0.23 0.00 1.08 0.00 0.00 64.86 64.18 1xjs h ILE 15 Cb 0.01 1.88 -0.01 0.00 -1.09 0.00 0.00 36.82 37.61 1xjs h ILE 15 CO -0.01 0.43 -1.05 -0.03 -1.08 0.00 0.00 178.15 176.41 1xjs h MET 16 N 0.00 0.12 -0.14 2.19 4.05 -1.02 0.18 114.93 120.31 1xjs h MET 16 Ca -0.00 -0.19 -0.10 0.00 -0.28 0.00 0.00 59.70 59.13 1xjs h MET 16 Cb 0.85 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.70 1xjs h MET 16 CO 0.06 1.06 -0.34 0.22 0.23 0.00 0.00 176.91 178.14 1xjs h ASP 17 N 0.04 0.29 1.42 1.39 3.58 -0.25 -2.20 116.42 120.70 1xjs h ASP 17 Ca -0.06 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1xjs h ASP 17 Cb 1.77 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.74 1xjs h ASP 17 CO 0.15 0.62 -0.52 -0.74 -2.88 0.00 0.00 179.24 175.87 1xjs h HIS 18 N 0.25 0.00 0.00 0.28 2.76 -1.34 -3.14 115.15 113.96 1xjs h HIS 18 Ca 0.03 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.17 1xjs h HIS 18 Cb 0.72 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 1xjs h HIS 18 CO 0.01 0.00 -0.17 -0.92 -1.30 0.00 0.00 177.93 175.55 1xjs h TYR 19 N 0.00 0.00 -0.22 5.26 3.20 -0.04 -1.59 116.97 123.58 1xjs h TYR 19 Ca 0.00 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1xjs h TYR 19 Cb 0.97 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 1xjs h TYR 19 CO 0.00 0.17 0.15 0.87 -1.64 0.00 0.00 178.16 177.71 1xjs h LYS 20 N 0.00 0.26 -2.77 1.82 1.57 -1.39 -3.32 116.57 112.74 1xjs h LYS 20 Ca -0.00 -0.02 -0.61 0.00 -1.87 0.00 0.00 60.65 58.16 1xjs h LYS 20 Cb 0.65 -0.06 -0.40 0.00 0.08 0.00 0.00 32.23 32.50 1xjs h LYS 20 CO 0.02 0.17 -0.75 -0.80 -0.57 0.00 0.00 179.45 177.52 1xjs s ASN 21 N -6.84 3.30 -0.65 0.86 0.02 -0.60 -5.07 114.94 105.95 1xjs s ASN 21 Ca -0.07 -3.47 -0.27 0.00 -1.02 0.00 0.00 52.86 48.03 1xjs s ASN 21 Cb 0.17 -1.09 0.00 0.00 0.02 0.00 0.00 41.25 40.36 1xjs s ASN 21 CO 0.70 -0.13 1.57 -2.84 0.02 0.00 0.00 177.10 176.42 1xjs s PRO 22 N -0.73 2.95 -0.06 -0.60 0.02 -1.23 -4.73 135.00 130.61 1xjs s PRO 22 Ca 0.28 0.26 0.10 0.00 0.02 0.00 0.00 61.00 61.66 1xjs s PRO 22 Cb -0.02 -4.27 0.18 0.00 0.02 0.00 0.00 34.50 30.42 1xjs s PRO 22 CO -0.17 -2.39 1.09 0.54 -0.33 0.00 0.00 177.00 175.74 1xjs n ARG 23 N 9.19 0.52 -2.56 5.54 1.74 -1.26 -4.98 116.66 124.86 1xjs n ARG 23 Ca 0.12 -1.80 -0.43 0.00 -0.77 0.00 0.00 57.85 54.97 1xjs n ARG 23 Cb 0.50 -0.83 0.00 0.00 -1.02 0.00 0.00 32.46 31.11 1xjs n ARG 23 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xjs n ASN 24 N -0.47 4.93 -3.15 0.55 4.13 -1.26 -4.77 115.26 115.23 1xjs n ASN 24 Ca 0.07 -2.97 0.04 0.00 1.68 0.00 0.00 54.58 53.41 1xjs n ASN 24 Cb 0.74 -1.61 -0.01 0.00 -1.54 0.00 0.00 39.78 37.36 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 2.29 0.44 -0.29 3.52 2.20 -1.17 -4.66 119.74 122.07 1xjs s LYS 25 Ca 0.46 0.66 -0.25 0.00 -0.36 0.00 0.00 55.97 56.48 1xjs s LYS 25 Cb 0.04 0.35 0.17 0.00 -1.51 0.00 0.00 37.83 36.89 1xjs s LYS 25 CO 0.01 -0.59 1.33 0.20 -0.36 0.00 0.00 175.35 175.94 1xjs s GLY 26 N 2.88 0.21 -0.32 5.54 0.00 -1.26 -4.74 107.32 109.64 1xjs s GLY 26 Ca 0.14 3.28 -0.02 0.00 0.00 0.00 0.00 44.72 48.12 1xjs s GLY 26 CO -0.20 1.89 0.17 0.54 0.00 0.00 0.00 173.10 175.49 1xjs s VAL 27 N 0.04 0.08 -0.17 1.40 0.11 -1.26 -1.72 120.40 118.88 1xjs s VAL 27 Ca 0.06 -1.24 -0.08 0.00 -2.93 0.00 0.00 61.98 57.79 1xjs s VAL 27 Cb -0.05 -1.08 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 1xjs s VAL 27 CO -0.13 -0.85 0.11 -0.22 -3.33 0.00 0.00 175.10 170.69 1xjs s LEU 28 N 1.59 4.15 -0.36 2.54 2.96 -1.26 -5.06 118.68 123.23 1xjs s LEU 28 Ca 0.13 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 1xjs s LEU 28 Cb -0.19 -2.05 0.10 0.00 0.50 0.00 0.00 46.19 44.55 1xjs s LEU 28 CO -0.19 0.25 0.11 0.54 -1.32 0.00 0.00 176.35 175.73 1xjs s ASN 29 N -0.04 4.96 0.30 3.68 2.20 -1.26 -4.68 114.94 120.10 1xjs s ASN 29 Ca 0.09 -2.07 0.00 0.00 -0.94 0.00 0.00 52.86 49.94 1xjs s ASN 29 Cb -0.12 -1.71 0.00 0.00 -2.00 0.00 0.00 41.25 37.43 1xjs s ASN 29 CO 0.00 -0.44 0.00 -0.67 -2.94 0.00 0.00 177.10 173.05 1xjs n ASP 30 N 4.40 -2.73 0.00 3.54 2.03 -1.26 -5.08 116.55 117.45 1xjs n ASP 30 Ca 0.01 0.67 0.00 0.00 0.52 0.00 0.00 54.79 55.99 1xjs n ASP 30 Cb 0.42 2.69 0.00 0.00 -0.72 0.00 0.00 41.12 43.51 1xjs n ASP 30 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1xjs n SER 31 N -3.17 0.00 -4.44 1.67 2.88 -1.24 -5.05 113.62 104.27 1xjs n SER 31 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1xjs n SER 31 Cb 0.00 -0.03 -0.13 0.00 -0.75 0.00 0.00 64.21 63.30 1xjs n SER 31 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1xjs s ILE 32 N -0.30 3.55 -0.33 2.46 1.01 0.96 -4.97 121.20 123.59 1xjs s ILE 32 Ca 0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 1xjs s ILE 32 Cb 0.00 -2.54 0.11 0.00 0.01 0.00 0.00 42.46 40.04 1xjs s ILE 32 CO 0.00 0.50 0.12 -0.69 0.00 0.00 0.00 174.94 174.87 1xjs s VAL 33 N 0.38 1.02 -0.14 2.92 1.01 -1.26 -0.67 120.40 123.65 1xjs s VAL 33 Ca -0.07 -1.62 0.02 0.00 0.00 0.00 0.00 61.98 60.31 1xjs s VAL 33 Cb -0.15 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1xjs s VAL 33 CO 0.04 -0.71 -0.19 -0.69 0.00 0.00 0.00 175.10 173.55 1xjs s VAL 34 N 1.39 1.85 0.09 2.92 1.01 -0.85 -5.02 120.40 121.79 1xjs s VAL 34 Ca 0.11 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.35 1xjs s VAL 34 Cb -0.18 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1xjs s VAL 34 CO -0.20 0.51 -0.24 1.51 0.00 0.00 0.00 175.10 176.68 1xjs s ASP 35 N 1.10 2.85 -0.04 3.32 -4.77 -1.25 -0.20 116.67 117.68 1xjs s ASP 35 Ca -0.02 -0.66 -0.01 0.00 -3.30 0.00 0.00 52.55 48.56 1xjs s ASP 35 Cb -0.14 -0.20 0.03 0.00 -1.09 0.00 0.00 42.92 41.52 1xjs s ASP 35 CO -0.06 0.14 0.03 -0.32 0.70 0.00 0.00 175.17 175.66 1xjs s MET 36 N -1.73 0.15 -0.24 2.11 1.75 -1.03 -4.95 119.30 115.36 1xjs s MET 36 Ca 0.10 0.22 -0.03 0.00 -1.25 0.00 0.00 55.69 54.72 1xjs s MET 36 Cb -0.10 -0.53 0.01 0.00 2.84 0.00 0.00 34.83 37.05 1xjs s MET 36 CO 0.04 -0.24 -0.05 -0.80 -0.65 0.00 0.00 175.02 173.32 1xjs s ASN 37 N 1.62 4.29 -0.63 1.11 0.01 -1.26 -1.91 114.94 118.17 1xjs s ASN 37 Ca -0.02 -0.63 0.02 0.00 -0.71 0.00 0.00 52.86 51.52 1xjs s ASN 37 Cb -0.13 -1.70 0.16 0.00 0.41 0.00 0.00 41.25 39.99 1xjs s ASN 37 CO -0.03 -0.08 0.41 0.21 -1.51 0.00 0.00 177.10 176.10 1xjs s ASN 38 N 1.41 4.81 -0.26 -1.22 2.47 0.23 -4.94 114.94 117.43 1xjs s ASN 38 Ca 0.03 -3.27 -0.32 0.00 0.42 0.00 0.00 52.86 49.72 1xjs s ASN 38 Cb -0.15 -1.71 -0.14 0.00 -1.45 0.00 0.00 41.25 37.79 1xjs s ASN 38 CO -0.04 -0.22 1.04 -2.65 -3.72 0.00 0.00 177.10 171.51 1xjs n PRO 39 N 2.81 0.00 -0.23 0.43 -0.02 -1.26 0.10 135.00 136.84 1xjs n PRO 39 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1xjs n PRO 39 Cb 0.34 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 1xjs n PRO 39 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1xjs n THR 40 N 2.36 0.00 0.00 3.45 -1.04 -1.26 -4.58 114.28 113.21 1xjs n THR 40 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 1xjs n THR 40 Cb -0.02 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 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 2.26 5.02 0.45 0.00 0.00 0.29 -2.31 105.19 110.90 1xjs n GLY 42 Ca 0.00 -2.47 -0.16 0.00 0.00 0.00 0.00 46.02 43.39 1xjs n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xjs h ASP 43 N 2.95 -1.37 -2.51 1.61 3.32 -0.85 0.65 116.42 120.23 1xjs h ASP 43 Ca 0.13 0.13 -0.47 0.00 0.02 0.00 0.00 57.03 56.84 1xjs h ASP 43 Cb 0.67 0.48 -0.37 0.00 0.22 0.00 0.00 39.33 40.33 1xjs h ASP 43 CO 0.73 -0.55 -0.75 -0.13 -1.72 0.00 0.00 179.24 176.82 1xjs s ARG 44 N -5.53 0.32 -0.79 3.56 0.52 -0.93 -3.99 118.95 112.12 1xjs s ARG 44 Ca -0.15 -0.59 -0.17 0.00 -0.52 0.00 0.00 55.73 54.30 1xjs s ARG 44 Cb 0.05 -1.01 0.16 0.00 0.52 0.00 0.00 34.95 34.67 1xjs s ARG 44 CO 0.55 -1.07 0.85 -1.50 0.02 0.00 0.00 175.30 174.15 1xjs s ILE 45 N 1.93 5.13 -0.67 1.52 2.07 -0.80 -0.07 121.20 130.32 1xjs s ILE 45 Ca 0.11 -1.80 -0.19 0.00 -1.41 0.00 0.00 60.65 57.36 1xjs s ILE 45 Cb -0.17 -4.57 0.12 0.00 0.13 0.00 0.00 42.46 37.97 1xjs s ILE 45 CO -0.26 -1.20 0.79 -0.13 -1.91 0.00 0.00 174.94 172.23 1xjs s ARG 46 N 1.61 3.18 -0.53 3.50 0.52 -0.43 -2.47 118.95 124.32 1xjs s ARG 46 Ca 0.20 -1.44 -0.16 0.00 -0.52 0.00 0.00 55.73 53.81 1xjs s ARG 46 Cb -0.13 -4.37 0.12 0.00 0.52 0.00 0.00 34.95 31.10 1xjs s ARG 46 CO -0.05 -1.58 0.49 -1.17 0.02 0.00 0.00 175.30 173.01 1xjs s LEU 47 N 2.59 6.09 -0.23 2.53 2.96 0.72 -1.80 118.68 131.53 1xjs s LEU 47 Ca 0.16 -1.71 -0.02 0.00 -0.22 0.00 0.00 54.13 52.34 1xjs s LEU 47 Cb -0.20 -2.21 0.02 0.00 0.50 0.00 0.00 46.19 44.30 1xjs s LEU 47 CO 0.03 -0.83 -0.09 0.42 -1.32 0.00 0.00 176.35 174.56 1xjs s THR 48 N 1.63 2.81 0.30 3.68 -4.23 0.86 -2.01 115.64 118.67 1xjs s THR 48 Ca 0.03 -0.89 0.09 0.00 -1.18 0.00 0.00 61.69 59.74 1xjs s THR 48 Cb -0.29 -2.35 -0.05 0.00 1.34 0.00 0.00 72.50 71.15 1xjs s THR 48 CO 0.04 0.32 0.01 -0.04 -0.54 0.00 0.00 174.62 174.40 1xjs s MET 49 N 1.35 2.20 -0.31 3.99 -1.94 0.15 0.71 119.30 125.45 1xjs s MET 49 Ca 0.02 -1.56 -0.00 0.00 -1.71 0.00 0.00 55.69 52.45 1xjs s MET 49 Cb -0.15 -2.07 0.10 0.00 2.01 0.00 0.00 34.83 34.71 1xjs s MET 49 CO -0.06 0.26 0.08 0.21 -0.01 0.00 0.00 175.02 175.50 1xjs s LYS 50 N -3.70 0.87 -0.27 2.03 2.36 0.12 -0.03 119.74 121.12 1xjs s LYS 50 Ca 0.33 -1.17 -0.11 0.00 -2.55 0.00 0.00 55.97 52.47 1xjs s LYS 50 Cb -0.04 -2.21 -0.05 0.00 -1.05 0.00 0.00 37.83 34.48 1xjs s LYS 50 CO 0.20 -0.95 0.18 -0.48 1.55 0.00 0.00 175.35 175.84 1xjs s LEU 51 N 1.50 4.01 -0.73 5.43 0.05 -1.25 -1.95 118.68 125.74 1xjs s LEU 51 Ca 0.09 0.01 0.04 0.00 0.05 0.00 0.00 54.13 54.31 1xjs s LEU 51 Cb -0.18 -2.11 0.29 0.00 -2.05 0.00 0.00 46.19 42.15 1xjs s LEU 51 CO -0.21 -0.02 1.01 -0.67 -0.55 0.00 0.00 176.35 175.91 1xjs n ASP 52 N 4.88 4.71 0.00 1.48 2.03 -1.24 -4.93 116.55 123.48 1xjs n ASP 52 Ca -0.14 -3.53 0.00 0.00 0.52 0.00 0.00 54.79 51.63 1xjs n ASP 52 Cb 0.52 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 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 0.53 0.38 1.59 0.27 0.00 -1.26 -4.80 105.19 101.89 1xjs n GLY 53 Ca 0.31 -0.28 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1xjs n GLY 53 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xjs n ASP 54 N 0.00 1.47 -3.94 1.61 -0.08 -1.26 -5.01 116.55 109.33 1xjs n ASP 54 Ca 0.00 -2.48 -0.22 0.00 -1.51 0.00 0.00 54.79 50.58 1xjs n ASP 54 Cb 0.00 -0.38 -0.16 0.00 2.34 0.00 0.00 41.12 42.92 1xjs n ASP 54 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1xjs s ILE 55 N -1.57 0.80 -1.16 5.18 -5.25 -1.26 -1.00 121.20 116.93 1xjs s ILE 55 Ca 0.35 -0.27 -0.20 0.00 -0.99 0.00 0.00 60.65 59.54 1xjs s ILE 55 Cb 0.38 -0.78 0.07 0.00 2.95 0.00 0.00 42.46 45.07 1xjs s ILE 55 CO -0.12 0.29 1.57 -0.69 -1.79 0.00 0.00 174.94 174.20 1xjs s VAL 56 N 0.88 4.13 -0.06 8.37 1.01 -1.14 -3.67 120.40 129.92 1xjs s VAL 56 Ca -0.11 -1.48 -0.00 0.00 0.00 0.00 0.00 61.98 60.39 1xjs s VAL 56 Cb -0.15 -5.10 -0.00 0.00 0.00 0.00 0.00 36.38 31.13 1xjs s VAL 56 CO 0.01 -1.94 -0.00 -0.08 0.00 0.00 0.00 175.10 173.09 1xjs h GLU 57 N 8.51 0.00 -6.17 2.72 4.22 -1.66 -3.34 114.58 118.87 1xjs h GLU 57 Ca 0.33 0.00 -0.58 0.00 0.08 0.00 0.00 59.36 59.18 1xjs h GLU 57 Cb 0.93 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 1xjs h GLU 57 CO 1.42 0.00 -0.25 0.34 -2.18 0.00 0.00 179.01 178.34 1xjs s ASP 58 N -4.48 6.59 -0.14 1.04 2.15 -0.82 -4.83 116.67 116.18 1xjs s ASP 58 Ca -0.00 0.74 -0.05 0.00 0.43 0.00 0.00 52.55 53.67 1xjs s ASP 58 Cb 0.00 -2.16 0.06 0.00 -0.30 0.00 0.00 42.92 40.53 1xjs s ASP 58 CO 0.00 0.11 0.29 0.00 -0.17 0.00 0.00 175.17 175.39 1xjs s ALA 59 N -1.53 -0.66 -0.24 3.66 0.00 -1.26 0.11 121.76 121.84 1xjs s ALA 59 Ca 0.37 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.40 1xjs s ALA 59 Cb -0.13 -0.99 0.06 0.00 0.00 0.00 0.00 23.12 22.06 1xjs s ALA 59 CO 0.20 -0.56 -0.09 0.15 0.00 0.00 0.00 175.76 175.47 1xjs s LYS 60 N 2.19 1.97 -0.45 0.00 -0.14 0.22 -4.95 119.74 118.59 1xjs s LYS 60 Ca -0.02 -1.16 0.03 0.00 -1.36 0.00 0.00 55.97 53.47 1xjs s LYS 60 Cb -0.12 -2.73 0.12 0.00 -1.68 0.00 0.00 37.83 33.43 1xjs s LYS 60 CO -0.09 -0.57 0.19 -0.59 -0.76 0.00 0.00 175.35 173.53 1xjs s PHE 61 N 1.25 3.09 -0.59 3.18 -0.12 -1.22 -0.10 117.98 123.47 1xjs s PHE 61 Ca -0.07 -2.94 -0.16 0.00 -0.05 0.00 0.00 56.93 53.70 1xjs s PHE 61 Cb -0.19 -2.66 0.13 0.00 -0.63 0.00 0.00 43.02 39.68 1xjs s PHE 61 CO -0.06 -0.81 0.58 -2.00 -0.05 0.00 0.00 175.22 172.88 1xjs s GLU 62 N 0.23 3.07 -0.35 1.99 2.12 -0.70 -3.02 118.70 122.05 1xjs s GLU 62 Ca 0.15 -1.70 -0.00 0.00 0.36 0.00 0.00 54.97 53.77 1xjs s GLU 62 Cb -0.23 -4.31 0.09 0.00 0.26 0.00 0.00 34.13 29.93 1xjs s GLU 62 CO -0.04 -1.38 0.08 0.20 -0.54 0.00 0.00 175.26 173.58 1xjs s GLY 63 N 3.46 1.88 -0.76 -1.50 0.00 -1.23 -1.32 107.32 107.85 1xjs s GLY 63 Ca 0.07 -2.24 -0.20 0.00 0.00 0.00 0.00 44.72 42.34 1xjs s GLY 63 CO 0.02 0.87 0.98 1.85 0.00 0.00 0.00 173.10 176.82 1xjs s GLU 64 N 1.11 3.30 0.00 2.90 2.12 0.90 -4.74 118.70 124.29 1xjs s GLU 64 Ca 0.03 -1.32 0.00 0.00 0.36 0.00 0.00 54.97 54.04 1xjs s GLU 64 Cb -0.21 -4.51 0.00 0.00 0.26 0.00 0.00 34.13 29.67 1xjs s GLU 64 CO -0.04 -1.74 0.00 0.41 -0.54 0.00 0.00 175.26 173.35 1xjs n GLY 65 N 5.36 3.39 3.76 -1.50 0.00 -1.26 -0.51 105.19 114.42 1xjs n GLY 65 Ca 0.06 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 1.34 -1.19 0.83 0.00 4.64 -1.99 -1.09 113.55 116.10 1xjs h SER 67 Ca -0.43 0.21 -0.05 0.00 -0.47 0.00 0.00 61.79 61.05 1xjs h SER 67 Cb 1.31 0.56 -0.01 0.00 -0.31 0.00 0.00 62.40 63.95 1xjs h SER 67 CO 0.74 -0.32 -0.24 0.16 -0.87 0.00 0.00 176.83 176.29 1xjs h ILE 68 N -0.23 0.63 -0.12 0.95 -2.65 -1.96 0.90 117.51 115.04 1xjs h ILE 68 Ca 0.19 -1.13 -0.03 0.00 1.03 0.00 0.00 64.86 64.92 1xjs h ILE 68 Cb 0.55 1.75 -0.00 0.00 -2.05 0.00 0.00 36.82 37.06 1xjs h ILE 68 CO -0.61 0.24 -0.04 0.28 0.03 0.00 0.00 178.15 178.05 1xjs h SER 69 N 0.00 0.24 1.23 2.16 0.02 -1.50 0.68 113.55 116.39 1xjs h SER 69 Ca -0.00 -0.39 -0.03 0.00 -0.84 0.00 0.00 61.79 60.53 1xjs h SER 69 Cb 0.73 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 1xjs h SER 69 CO 0.03 0.58 -0.12 0.24 -1.14 0.00 0.00 176.83 176.42 1xjs h MET 70 N -0.09 0.00 0.00 3.45 2.86 -1.14 -3.00 114.93 117.00 1xjs h MET 70 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1xjs h MET 70 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1xjs h MET 70 CO 0.01 0.12 -0.31 0.00 1.06 0.00 0.00 176.91 177.79 1xjs h ALA 71 N 1.88 0.00 -0.06 6.32 0.00 -0.41 -3.36 119.26 123.63 1xjs h ALA 71 Ca -0.00 -0.32 -0.23 0.00 0.00 0.00 0.00 54.91 54.36 1xjs h ALA 71 Cb 0.77 0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1xjs h ALA 71 CO 0.02 0.31 -0.89 0.77 0.00 0.00 0.00 179.25 179.46 1xjs h SER 72 N -0.94 0.75 0.06 0.00 0.02 0.23 -2.08 113.55 111.58 1xjs h SER 72 Ca 0.00 -0.55 -0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1xjs h SER 72 Cb 0.31 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1xjs h SER 72 CO 0.00 1.34 -0.03 0.00 -1.14 0.00 0.00 176.83 177.00 1xjs h ALA 73 N 0.63 -0.08 0.00 3.77 0.00 -1.63 0.12 119.26 122.07 1xjs h ALA 73 Ca -0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1xjs h ALA 73 Cb 1.52 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1xjs h ALA 73 CO 0.17 -0.45 -0.14 0.77 0.00 0.00 0.00 179.25 179.59 1xjs h SER 74 N -0.27 0.00 0.11 0.00 0.02 -1.70 0.12 113.55 111.82 1xjs h SER 74 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1xjs h SER 74 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1xjs h SER 74 CO 0.01 0.14 -0.05 -0.03 -1.14 0.00 0.00 176.83 175.77 1xjs h MET 75 N 0.00 -0.14 -0.21 3.45 -1.53 -0.92 -2.21 114.93 113.37 1xjs h MET 75 Ca -0.00 0.01 -0.09 0.00 -3.44 0.00 0.00 59.70 56.18 1xjs h MET 75 Cb 0.45 0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.52 1xjs h MET 75 CO 0.02 0.35 -0.26 0.52 0.14 0.00 0.00 176.91 177.68 1xjs h MET 76 N -0.80 0.39 0.00 0.39 2.86 -0.79 -1.80 114.93 115.18 1xjs h MET 76 Ca -0.02 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1xjs h MET 76 Cb 0.56 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1xjs h MET 76 CO 0.03 0.63 0.00 1.15 1.06 0.00 0.00 176.91 179.77 1xjs h THR 77 N 0.35 0.00 -0.29 2.22 2.02 -0.84 0.30 112.91 116.67 1xjs h THR 77 Ca 0.05 -0.58 -0.10 0.00 0.77 0.00 0.00 66.41 66.55 1xjs h THR 77 Cb 0.65 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1xjs h THR 77 CO 0.05 0.00 -0.21 -0.61 0.37 0.00 0.00 175.52 175.12 1xjs h GLN 78 N 0.00 0.66 -0.03 6.66 4.15 -0.66 0.49 115.11 126.38 1xjs h GLN 78 Ca 0.00 -0.32 -0.14 0.00 0.77 0.00 0.00 58.65 58.96 1xjs h GLN 78 Cb 0.59 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 1xjs h GLN 78 CO 0.00 0.91 -0.63 0.00 -1.93 0.00 0.00 178.83 177.19 1xjs h ALA 79 N 0.73 0.89 -0.43 3.38 0.00 -1.40 -3.03 119.26 119.40 1xjs h ALA 79 Ca 0.06 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 1xjs h ALA 79 Cb 0.76 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1xjs h ALA 79 CO 0.06 0.76 -0.19 0.82 0.00 0.00 0.00 179.25 180.70 1xjs h ILE 80 N 0.09 1.27 0.00 0.00 1.08 -0.63 -1.97 117.51 117.35 1xjs h ILE 80 Ca -0.01 -1.31 0.00 0.00 -0.39 0.00 0.00 64.86 63.15 1xjs h ILE 80 Cb 1.13 1.14 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 1xjs h ILE 80 CO 0.09 0.45 0.00 0.50 -0.69 0.00 0.00 178.15 178.50 1xjs h LYS 81 N 0.74 0.00 -0.07 2.37 3.64 0.11 -1.49 116.57 121.87 1xjs h LYS 81 Ca 0.11 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1xjs h LYS 81 Cb 0.72 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1xjs h LYS 81 CO 0.06 0.00 -0.26 0.41 -2.27 0.00 0.00 179.45 177.39 1xjs n GLY 82 N -1.05 4.96 2.27 5.01 0.00 -0.77 -4.47 105.19 111.14 1xjs n GLY 82 Ca -0.02 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.59 1xjs n GLY 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xjs n LYS 83 N -1.17 0.78 -3.96 1.61 3.00 -0.56 -5.03 118.16 112.82 1xjs n LYS 83 Ca 0.21 -2.33 -0.25 0.00 -0.00 0.00 0.00 58.31 55.93 1xjs n LYS 83 Cb 0.74 1.16 -0.04 0.00 0.00 0.00 0.00 35.03 36.90 1xjs n LYS 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xjs n ASP 84 N -1.62 2.93 -0.08 3.14 8.00 -1.26 -2.88 116.55 124.79 1xjs n ASP 84 Ca -0.05 -2.75 -0.19 0.00 0.71 0.00 0.00 54.79 52.50 1xjs n ASP 84 Cb 0.41 0.19 -0.12 0.00 -0.02 0.00 0.00 41.12 41.58 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 1.03 1.26 -0.32 0.53 5.03 -1.44 -2.05 117.51 121.54 1xjs h ILE 85 Ca -0.33 -2.27 0.02 0.00 -0.12 0.00 0.00 64.86 62.16 1xjs h ILE 85 Cb 1.05 2.72 -0.02 0.00 -3.03 0.00 0.00 36.82 37.55 1xjs h ILE 85 CO 0.54 0.47 0.21 -0.33 -0.68 0.00 0.00 178.15 178.37 1xjs h GLU 86 N -0.90 0.34 0.00 2.37 5.08 -1.95 0.27 114.58 119.78 1xjs h GLU 86 Ca -0.21 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 1xjs h GLU 86 Cb 1.26 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1xjs h GLU 86 CO -0.10 0.23 -0.38 1.15 -1.00 0.00 0.00 179.01 178.92 1xjs h THR 87 N 0.35 0.72 -0.08 1.13 2.02 -1.93 -2.91 112.91 112.21 1xjs h THR 87 Ca 0.13 -1.75 -0.22 0.00 0.77 0.00 0.00 66.41 65.34 1xjs h THR 87 Cb 0.08 2.16 0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1xjs h THR 87 CO -0.03 0.37 -0.79 0.00 0.37 0.00 0.00 175.52 175.44 1xjs h ALA 88 N 1.62 0.20 -0.67 6.16 0.00 -0.21 -0.06 119.26 126.31 1xjs h ALA 88 Ca -0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1xjs h ALA 88 Cb 1.13 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1xjs h ALA 88 CO 0.05 0.59 0.32 -0.07 0.00 0.00 0.00 179.25 180.14 1xjs h LEU 89 N 0.34 0.87 -1.41 0.00 -0.00 -1.38 -1.61 115.31 112.13 1xjs h LEU 89 Ca -0.08 -0.13 -0.05 0.00 -0.00 0.00 0.00 57.88 57.63 1xjs h LEU 89 Cb 1.44 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.87 1xjs h LEU 89 CO 0.16 0.76 -0.22 0.28 -0.00 0.00 0.00 178.44 179.42 1xjs h SER 90 N 0.93 0.00 0.37 -0.43 0.02 -1.47 -1.27 113.55 111.70 1xjs h SER 90 Ca 0.23 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.12 1xjs h SER 90 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1xjs h SER 90 CO -0.03 0.22 -0.27 -0.03 -1.14 0.00 0.00 176.83 175.57 1xjs h MET 91 N 0.00 0.00 0.23 3.45 1.85 -0.00 0.24 114.93 120.69 1xjs h MET 91 Ca -0.00 0.00 -0.34 0.00 -0.61 0.00 0.00 59.70 58.74 1xjs h MET 91 Cb 0.60 0.00 0.03 0.00 0.43 0.00 0.00 31.60 32.66 1xjs h MET 91 CO 0.03 0.27 -1.60 0.77 -0.40 0.00 0.00 176.91 175.99 1xjs h SER 92 N 0.00 0.75 -0.82 1.39 0.02 -1.00 0.20 113.55 114.09 1xjs h SER 92 Ca -0.00 -0.91 0.09 0.00 -0.84 0.00 0.00 61.79 60.12 1xjs h SER 92 Cb 0.53 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.76 1xjs h SER 92 CO 0.04 1.74 0.47 0.50 -1.14 0.00 0.00 176.83 178.43 1xjs h LYS 93 N 0.13 0.77 0.00 3.45 3.11 -0.75 -1.30 116.57 121.99 1xjs h LYS 93 Ca -0.29 -0.05 -0.12 0.00 -2.81 0.00 0.00 60.65 57.38 1xjs h LYS 93 Cb 2.14 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 33.18 1xjs h LYS 93 CO 0.24 0.51 -0.76 0.97 -2.81 0.00 0.00 179.45 177.60 1xjs h ILE 94 N 0.80 0.75 -0.40 2.00 2.10 -0.59 -2.25 117.51 119.91 1xjs h ILE 94 Ca 0.39 -2.14 0.03 0.00 1.08 0.00 0.00 64.86 64.22 1xjs h ILE 94 Cb 0.34 2.30 -0.03 0.00 -1.09 0.00 0.00 36.82 38.34 1xjs h ILE 94 CO -0.24 0.43 0.20 0.15 -1.08 0.00 0.00 178.15 177.62 1xjs h PHE 95 N 0.00 0.38 0.14 2.19 3.57 0.52 0.40 116.94 124.15 1xjs h PHE 95 Ca -0.05 0.02 -0.29 0.00 3.53 0.00 0.00 57.97 61.18 1xjs h PHE 95 Cb 1.43 -0.11 0.02 0.00 2.79 0.00 0.00 35.95 40.08 1xjs h PHE 95 CO 0.00 0.20 -1.27 0.66 -2.23 0.00 0.00 178.31 175.67 1xjs h SER 96 N 0.41 0.66 0.09 0.41 4.64 -1.46 -3.10 113.55 115.20 1xjs h SER 96 Ca 0.17 -0.66 0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1xjs h SER 96 Cb 0.07 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1xjs h SER 96 CO -0.12 1.49 -0.14 -0.78 -0.87 0.00 0.00 176.83 176.42 1xjs h ASP 97 N 0.16 -0.38 -0.32 4.97 1.82 -1.04 -1.88 116.42 119.76 1xjs h ASP 97 Ca -0.17 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.50 1xjs h ASP 97 Cb 1.96 0.14 -0.02 0.00 0.68 0.00 0.00 39.33 42.09 1xjs h ASP 97 CO 0.23 -0.21 0.17 -0.03 -1.61 0.00 0.00 179.24 177.78 1xjs h MET 98 N -0.28 0.50 0.00 0.28 4.05 -0.33 -1.91 114.93 117.24 1xjs h MET 98 Ca 0.02 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1xjs h MET 98 Cb 0.29 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 1xjs h MET 98 CO -0.07 0.40 0.00 1.98 0.23 0.00 0.00 176.91 179.44 1xjs h MET 99 N 0.50 0.00 -0.60 0.39 4.05 -1.29 0.76 114.93 118.74 1xjs h MET 99 Ca 0.13 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1xjs h MET 99 Cb 0.07 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1xjs h MET 99 CO -0.02 0.00 0.00 1.04 0.23 0.00 0.00 176.91 178.16 1xjs n GLN 100 N -3.06 2.66 0.06 0.39 6.02 -0.73 -4.64 117.38 118.08 1xjs n GLN 100 Ca 0.01 -2.49 0.00 0.00 -0.01 0.00 0.00 57.00 54.52 1xjs n GLN 100 Cb 0.35 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.10 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 1.47 -0.15 2.75 1.08 0.00 -0.92 -5.08 105.19 104.33 1xjs n GLY 101 Ca 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.24 1xjs n GLY 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xjs n LYS 102 N -2.88 -3.35 0.00 1.61 5.02 0.26 -4.99 118.16 113.83 1xjs n LYS 102 Ca 0.00 2.70 0.00 0.00 -2.02 0.00 0.00 58.31 58.99 1xjs n LYS 102 Cb 0.00 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 29.79 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 0.71 0.00 -3.65 1.97 2.13 -1.26 -5.12 120.64 115.42 1xjs n GLU 103 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1xjs n GLU 103 Cb 0.04 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.68 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 -0.69 -0.39 0.02 4.31 -0.85 -1.26 -5.15 117.35 113.34 1xjs s TYR 104 Ca 0.00 0.61 0.03 0.00 -0.52 0.00 0.00 57.07 57.18 1xjs s TYR 104 Cb 0.00 0.24 -0.02 0.00 0.38 0.00 0.00 41.96 42.57 1xjs s TYR 104 CO 0.00 -0.51 -0.09 0.34 -1.52 0.00 0.00 175.55 173.77 1xjs s ASP 105 N -1.38 1.08 0.33 -0.18 2.15 -1.26 -4.80 116.67 112.60 1xjs s ASP 105 Ca -0.11 -0.34 0.07 0.00 0.43 0.00 0.00 52.55 52.61 1xjs s ASP 105 Cb -0.03 -0.06 0.77 0.00 -0.30 0.00 0.00 42.92 43.31 1xjs s ASP 105 CO 0.05 -0.01 1.81 -0.78 -0.17 0.00 0.00 175.17 176.08 1xjs h ASP 106 N 5.28 0.74 -0.01 -0.34 3.58 -1.99 -1.74 116.42 121.93 1xjs h ASP 106 Ca -0.33 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1xjs h ASP 106 Cb 1.19 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1xjs h ASP 106 CO 0.46 0.31 -0.10 -0.24 -2.88 0.00 0.00 179.24 176.78 1xjs n SER 107 N -4.67 1.50 -3.83 2.28 2.88 -1.26 -5.00 113.62 105.52 1xjs n SER 107 Ca 0.21 -1.25 -0.24 0.00 -1.33 0.00 0.00 58.87 56.26 1xjs n SER 107 Cb 0.54 0.24 0.01 0.00 -0.75 0.00 0.00 64.21 64.25 1xjs n SER 107 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xjs n ILE 108 N 0.14 -3.62 -3.69 2.46 -0.00 -0.66 -4.94 119.36 109.05 1xjs n ILE 108 Ca 0.05 -0.44 -0.36 0.00 -0.00 0.00 0.00 62.75 62.00 1xjs n ILE 108 Cb 0.22 -3.21 -0.08 0.00 -0.00 0.00 0.00 39.64 36.57 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 -4.24 5.57 -0.05 4.38 -1.08 -1.26 -4.86 116.67 115.14 1xjs s ASP 109 Ca 0.09 -3.32 0.11 0.00 -0.52 0.00 0.00 52.55 48.90 1xjs s ASP 109 Cb -0.04 -1.87 0.30 0.00 -1.46 0.00 0.00 42.92 39.85 1xjs s ASP 109 CO 0.85 -0.27 1.24 0.18 0.52 0.00 0.00 175.17 177.69 1xjs n LEU 110 N 2.85 2.94 0.17 -1.34 4.77 -1.26 -4.54 117.00 120.58 1xjs n LEU 110 Ca 0.15 -2.31 -0.07 0.00 -0.03 0.00 0.00 56.01 53.74 1xjs n LEU 110 Cb 0.37 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1xjs n LEU 110 CO 0.34 0.67 0.25 1.23 -1.33 0.00 0.00 177.39 178.55 1xjs h GLY 111 N 1.45 -0.49 1.59 -0.72 0.00 -2.00 -2.44 103.07 100.46 1xjs h GLY 111 Ca 0.00 0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 1xjs h GLY 111 CO 0.05 -0.18 -0.14 -1.80 0.00 0.00 0.00 176.54 174.48 1xjs h ASP 112 N -0.87 0.48 -0.91 0.19 3.58 -2.01 -2.62 116.42 114.26 1xjs h ASP 112 Ca -0.05 -0.13 0.04 0.00 0.42 0.00 0.00 57.03 57.32 1xjs h ASP 112 Cb 0.36 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 41.23 1xjs h ASP 112 CO 0.08 0.65 0.59 0.40 -2.88 0.00 0.00 179.24 178.08 1xjs h ILE 113 N 0.46 1.12 -0.88 2.25 2.04 -1.80 0.18 117.51 120.88 1xjs h ILE 113 Ca 0.08 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.60 1xjs h ILE 113 Cb 0.51 -0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 1xjs h ILE 113 CO 0.03 0.20 0.57 -0.08 0.00 0.00 0.00 178.15 178.87 1xjs h GLU 114 N 1.12 1.07 -0.06 2.37 4.57 -1.04 -0.27 114.58 122.33 1xjs h GLU 114 Ca 0.38 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.44 1xjs h GLU 114 Cb 0.06 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 1xjs h GLU 114 CO -0.14 0.71 -0.14 0.00 -1.18 0.00 0.00 179.01 178.26 1xjs h ALA 115 N 1.37 0.10 -0.79 2.92 0.00 -1.24 -3.22 119.26 118.40 1xjs h ALA 115 Ca 0.35 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1xjs h ALA 115 Cb 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1xjs h ALA 115 CO -0.12 0.01 0.48 1.25 0.00 0.00 0.00 179.25 180.87 1xjs h LEU 116 N -0.29 0.76 -0.57 0.00 5.85 -0.34 -2.28 115.31 118.43 1xjs h LEU 116 Ca 0.00 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1xjs h LEU 116 Cb 0.74 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1xjs h LEU 116 CO 0.03 0.49 0.31 1.56 -0.34 0.00 0.00 178.44 180.49 1xjs h GLN 117 N 0.89 0.57 -0.43 1.25 4.20 -1.11 -0.16 115.11 120.33 1xjs h GLN 117 Ca 0.34 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 1xjs h GLN 117 Cb 0.15 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1xjs h GLN 117 CO -0.17 0.38 0.16 0.78 -0.67 0.00 0.00 178.83 179.31 1xjs h GLY 118 N 0.59 0.69 1.54 3.46 0.00 -1.43 -2.50 103.07 105.42 1xjs h GLY 118 Ca 0.25 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1xjs h GLY 118 CO -0.16 0.36 0.16 -2.08 0.00 0.00 0.00 176.54 174.83 1xjs h VAL 119 N 0.54 1.16 0.00 4.60 2.07 -1.07 -3.12 116.25 120.44 1xjs h VAL 119 Ca 0.14 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1xjs h VAL 119 Cb 0.21 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1xjs h VAL 119 CO -0.01 0.20 0.00 -1.20 0.02 0.00 0.00 177.57 176.58 1xjs n SER 120 N -4.37 0.50 0.00 0.57 7.64 -0.11 -2.53 113.62 115.32 1xjs n SER 120 Ca 0.03 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.63 1xjs n SER 120 Cb 0.15 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1xjs n SER 120 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1xjs n LYS 121 N -2.16 2.59 -1.98 1.43 2.85 -1.18 -4.58 118.16 115.14 1xjs n LYS 121 Ca -0.01 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.83 1xjs n LYS 121 Cb 0.05 -0.87 -0.03 0.00 -0.65 0.00 0.00 35.03 33.53 1xjs n LYS 121 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1xjs s PHE 122 N -1.67 2.70 0.18 5.58 0.08 -1.23 -4.85 117.98 118.77 1xjs s PHE 122 Ca 0.00 0.51 0.23 0.00 0.12 0.00 0.00 56.93 57.78 1xjs s PHE 122 Cb 0.00 -3.90 1.24 0.00 -0.57 0.00 0.00 43.02 39.79 1xjs s PHE 122 CO 0.00 -3.47 1.66 -1.35 -0.10 0.00 0.00 175.22 171.95 1xjs h PRO 123 N 7.75 0.00 0.00 0.24 0.11 -1.93 0.34 132.00 138.51 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 0.92 0.00 -1.17 0.00 -0.21 0.00 0.00 178.00 177.54 1xjs n ALA 124 N -1.75 2.88 -0.34 -0.75 0.00 -1.26 -4.32 120.51 114.96 1xjs n ALA 124 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1xjs n ALA 124 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1xjs n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xjs n ARG 125 N -2.33 0.72 0.13 0.00 3.00 0.57 -4.74 116.66 114.00 1xjs n ARG 125 Ca 0.00 -0.76 -0.02 0.00 -0.01 0.00 0.00 57.85 57.06 1xjs n ARG 125 Cb 0.51 -0.83 0.16 0.00 0.00 0.00 0.00 32.46 32.30 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 0.70 1.45 0.00 0.55 2.10 -0.20 -0.12 117.51 122.00 1xjs h ILE 126 Ca 0.00 -2.17 0.00 0.00 1.08 0.00 0.00 64.86 63.77 1xjs h ILE 126 Cb 0.43 2.17 0.00 0.00 -1.09 0.00 0.00 36.82 38.33 1xjs h ILE 126 CO 0.00 0.62 -0.51 0.11 -1.08 0.00 0.00 178.15 177.29 1xjs h LYS 127 N 0.00 0.00 0.08 2.19 1.57 -1.85 0.21 116.57 118.77 1xjs h LYS 127 Ca -0.01 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.51 1xjs h LYS 127 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1xjs h LYS 127 CO 0.08 0.00 -1.25 0.00 -0.57 0.00 0.00 179.45 177.71 1xjs h ALA 129 N 0.72 -0.00 0.00 0.00 0.00 -0.94 -3.04 119.26 116.00 1xjs h ALA 129 Ca -0.12 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1xjs h ALA 129 Cb 1.92 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 1xjs h ALA 129 CO 0.16 0.05 -0.07 1.79 0.00 0.00 0.00 179.25 181.18 1xjs h THR 130 N -0.71 0.92 0.02 0.00 1.35 -1.10 0.58 112.91 113.97 1xjs h THR 130 Ca -0.03 -0.27 0.03 0.00 -0.55 0.00 0.00 66.41 65.59 1xjs h THR 130 Cb 1.04 1.15 -0.04 0.00 -1.73 0.00 0.00 68.15 68.57 1xjs h THR 130 CO 0.04 0.07 -0.23 0.25 -0.25 0.00 0.00 175.52 175.40 1xjs h LEU 131 N 0.00 -0.66 -0.15 3.87 6.46 -1.52 0.24 115.31 123.56 1xjs h LEU 131 Ca -0.00 0.09 -0.23 0.00 -0.12 0.00 0.00 57.88 57.62 1xjs h LEU 131 Cb 0.14 0.27 0.01 0.00 -0.73 0.00 0.00 40.66 40.35 1xjs h LEU 131 CO 0.01 -0.30 -0.94 0.28 -0.62 0.00 0.00 178.44 176.87 1xjs h SER 132 N -0.37 0.65 0.21 1.25 0.02 -1.09 -2.54 113.55 111.69 1xjs h SER 132 Ca 0.06 -0.51 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1xjs h SER 132 Cb 0.44 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1xjs h SER 132 CO -0.19 1.30 -0.10 -0.25 -1.14 0.00 0.00 176.83 176.45 1xjs h TRP 133 N 0.29 -0.26 0.00 3.45 7.01 0.21 -2.64 115.95 124.01 1xjs h TRP 133 Ca -0.09 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.91 1xjs h TRP 133 Cb 1.58 0.09 0.00 0.00 -2.10 0.00 0.00 29.16 28.72 1xjs h TRP 133 CO 0.07 -0.08 0.00 0.87 -2.79 0.00 0.00 178.44 176.51 1xjs h LYS 134 N -0.39 0.00 -0.71 2.65 1.57 -0.60 0.42 116.57 119.51 1xjs h LYS 134 Ca -0.03 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1xjs h LYS 134 Cb 0.30 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 1xjs h LYS 134 CO 0.05 0.00 0.41 0.00 -0.57 0.00 0.00 179.45 179.33 1xjs h ALA 135 N 2.01 0.96 0.00 3.86 0.00 -1.08 0.18 119.26 125.20 1xjs h ALA 135 Ca 0.00 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1xjs h ALA 135 Cb 0.60 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1xjs h ALA 135 CO 0.00 0.09 -1.11 -0.07 0.00 0.00 0.00 179.25 178.16 1xjs h LEU 136 N 0.74 0.00 -1.83 0.00 -0.00 -1.30 -2.89 115.31 110.04 1xjs h LEU 136 Ca 0.32 -0.54 -0.03 0.00 -0.00 0.00 0.00 57.88 57.63 1xjs h LEU 136 Cb 0.20 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1xjs h LEU 136 CO -0.19 1.42 -0.13 -0.08 -0.00 0.00 0.00 178.44 179.46 1xjs h GLU 137 N -1.00 0.00 0.00 1.13 4.57 -0.21 -1.45 114.58 117.61 1xjs h GLU 137 Ca -0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1xjs h GLU 137 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1xjs h GLU 137 CO -0.18 0.13 -1.55 1.17 -1.18 0.00 0.00 179.01 177.40 1xjs n LYS 138 N -4.15 0.67 0.04 1.92 4.81 0.62 -2.98 118.16 119.10 1xjs n LYS 138 Ca -0.02 -0.12 -0.02 0.00 -0.87 0.00 0.00 58.31 57.27 1xjs n LYS 138 Cb 0.21 -1.33 -0.01 0.00 0.02 0.00 0.00 35.03 33.92 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 2.77 -0.16 0.00 3.14 0.00 -1.21 -3.43 103.07 104.18 1xjs h GLY 139 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1xjs h GLY 139 CO 0.00 -0.06 -0.75 1.55 0.00 0.00 0.00 176.54 177.29 1xjs n VAL 140 N -3.55 0.00 -2.80 4.60 3.14 -0.94 -5.04 118.33 113.74 1xjs n VAL 140 Ca -0.02 -0.13 -0.05 0.00 -2.96 0.00 0.00 64.34 61.18 1xjs n VAL 140 Cb 0.06 0.62 0.02 0.00 -1.06 0.00 0.00 33.84 33.48 1xjs n VAL 140 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xjs n ALA 141 N -1.37 0.23 0.00 1.55 0.00 -0.59 -4.37 120.51 115.95 1xjs n ALA 141 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1xjs n ALA 141 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1xjs n ALA 141 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xjs n LYS 142 N -1.36 0.00 -3.42 0.00 0.00 -1.16 -4.39 118.16 107.83 1xjs n LYS 142 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.35 1xjs n LYS 142 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.18 1xjs n LYS 142 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1xjs n GLU 143 N 0.00 -1.07 -0.12 1.64 2.13 -1.22 -4.82 120.64 117.19 1xjs n GLU 143 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 1xjs n GLU 143 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 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 0.66 0.00 5.31 -0.00 -1.26 -4.16 120.64 121.20 1xjs n GLU 144 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.16 57.27 1xjs n GLU 144 Cb 0.00 -1.52 0.00 0.00 -0.00 0.00 0.00 31.44 29.92 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 2.15 0.00 1.50 -1.84 0.00 -1.26 -5.00 105.19 100.74 1xjs n GLY 145 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1xjs n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xjs n GLY 146 N -0.29 0.59 0.83 -0.02 0.00 -1.26 -5.27 105.19 99.78 1xjs n GLY 146 Ca 0.00 -0.79 0.10 0.00 0.00 0.00 0.00 46.02 45.34 1xjs n GLY 146 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02