#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j3w s GLU 0 N 0.00 3.64 -0.35 3.23 4.04 -1.26 -5.05 118.70 122.96 2j3w s GLU 0 Ca 0.00 1.41 0.01 0.00 0.04 0.00 0.00 54.97 56.42 2j3w s GLU 0 Cb 0.00 -2.07 0.11 0.00 0.02 0.00 0.00 34.13 32.19 2j3w s GLU 0 CO 0.00 -0.57 0.12 -1.64 -1.84 0.00 0.00 175.26 171.33 2j3w s MET 1 N -3.33 0.98 0.50 -4.83 -1.94 -1.26 -5.13 119.30 104.29 2j3w s MET 1 Ca 0.68 -1.43 -0.22 0.00 -1.71 0.00 0.00 55.69 53.01 2j3w s MET 1 Cb -0.18 -2.29 -0.06 0.00 2.01 0.00 0.00 34.83 34.31 2j3w s MET 1 CO 0.23 -1.02 1.22 -1.54 -0.01 0.00 0.00 175.02 173.90 2j3w s SER 2 N 1.20 5.81 0.83 3.03 1.04 -1.26 -5.01 113.70 119.35 2j3w s SER 2 Ca 0.12 2.42 -0.11 0.00 0.48 0.00 0.00 55.95 58.85 2j3w s SER 2 Cb -0.19 -2.61 0.09 0.00 0.10 0.00 0.00 66.02 63.41 2j3w s SER 2 CO -0.16 -1.17 1.09 -0.83 0.98 0.00 0.00 173.24 173.15 2j3w s GLY 3 N -1.31 1.62 0.23 7.32 0.00 -1.26 -5.03 107.32 108.89 2j3w s GLY 3 Ca 0.68 -0.14 0.07 0.00 0.00 0.00 0.00 44.72 45.33 2j3w s GLY 3 CO 0.37 0.31 0.12 -0.56 0.00 0.00 0.00 173.10 173.34 2j3w s SER 4 N -3.72 5.24 -0.03 1.64 0.01 -1.26 -4.94 113.70 110.63 2j3w s SER 4 Ca 0.62 -0.33 -0.02 0.00 1.31 0.00 0.00 55.95 57.52 2j3w s SER 4 Cb -0.16 -1.25 0.01 0.00 0.21 0.00 0.00 66.02 64.84 2j3w s SER 4 CO 0.55 0.00 0.08 -0.36 0.41 0.00 0.00 173.24 173.92 2j3w s PHE 5 N -2.07 -0.08 -0.23 2.43 0.40 -0.54 -2.88 117.98 115.01 2j3w s PHE 5 Ca 0.32 0.23 -0.00 0.00 -0.60 0.00 0.00 56.93 56.87 2j3w s PHE 5 Cb -0.08 -0.02 0.07 0.00 0.51 0.00 0.00 43.02 43.50 2j3w s PHE 5 CO 0.23 -0.06 -0.01 -0.47 0.70 0.00 0.00 175.22 175.61 2j3w s TYR 6 N 0.31 1.93 -0.14 0.36 6.14 0.16 -0.35 117.35 125.76 2j3w s TYR 6 Ca -0.02 -1.50 -0.02 0.00 0.64 0.00 0.00 57.07 56.16 2j3w s TYR 6 Cb -0.03 -1.46 -0.02 0.00 0.42 0.00 0.00 41.96 40.87 2j3w s TYR 6 CO -0.01 -0.74 -0.07 0.12 0.64 0.00 0.00 175.55 175.49 2j3w s PHE 7 N 1.55 2.94 -0.02 4.97 5.36 -0.34 -0.40 117.98 132.04 2j3w s PHE 7 Ca -0.02 -0.39 -0.03 0.00 -0.96 0.00 0.00 56.93 55.52 2j3w s PHE 7 Cb -0.18 -1.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.61 2j3w s PHE 7 CO -0.09 -0.07 0.07 0.54 -1.46 0.00 0.00 175.22 174.22 2j3w s VAL 8 N 0.25 0.04 -0.22 3.12 0.11 -0.54 -0.71 120.40 122.44 2j3w s VAL 8 Ca -0.05 -0.31 -0.06 0.00 -2.93 0.00 0.00 61.98 58.63 2j3w s VAL 8 Cb -0.15 -0.21 -0.03 0.00 -1.53 0.00 0.00 36.38 34.47 2j3w s VAL 8 CO 0.04 -0.17 0.04 -0.63 -3.33 0.00 0.00 175.10 171.05 2j3w s ILE 9 N -0.52 4.21 -0.12 7.04 1.01 -0.14 -0.54 121.20 132.14 2j3w s ILE 9 Ca -0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 2j3w s ILE 9 Cb -0.04 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 2j3w s ILE 9 CO 0.00 0.39 -0.05 -0.69 0.00 0.00 0.00 174.94 174.60 2j3w s VAL 10 N 1.20 3.86 0.75 2.92 1.01 0.96 -0.27 120.40 130.84 2j3w s VAL 10 Ca 0.04 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 2j3w s VAL 10 Cb -0.14 -2.65 0.09 0.00 0.00 0.00 0.00 36.38 33.68 2j3w s VAL 10 CO 0.02 0.53 1.07 -0.83 0.00 0.00 0.00 175.10 175.90 2j3w s GLY 11 N -0.08 1.70 0.60 4.51 0.00 0.94 -1.49 107.32 113.50 2j3w s GLY 11 Ca 0.02 -1.03 0.29 0.00 0.00 0.00 0.00 44.72 43.99 2j3w s GLY 11 CO 0.03 -0.54 1.88 0.45 0.00 0.00 0.00 173.10 174.91 2j3w h HIS 12 N -0.79 0.00 -0.84 1.90 3.86 -1.87 -0.11 115.15 117.30 2j3w h HIS 12 Ca -0.44 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.39 2j3w h HIS 12 Cb 1.30 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.54 2j3w h HIS 12 CO 0.05 0.00 0.45 0.72 0.86 0.00 0.00 177.93 180.01 2j3w n HIS 13 N -3.58 2.64 -1.20 2.45 8.25 -1.26 -4.88 115.22 117.64 2j3w n HIS 13 Ca 0.07 -1.62 -0.07 0.00 -0.26 0.00 0.00 57.72 55.84 2j3w n HIS 13 Cb 0.65 -0.81 -0.03 0.00 1.12 0.00 0.00 29.99 30.92 2j3w n HIS 13 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2j3w n ASP 14 N -0.85 -5.01 -4.67 0.41 10.43 -0.05 -4.97 116.55 111.84 2j3w n ASP 14 Ca 0.51 0.17 -0.40 0.00 2.57 0.00 0.00 54.79 57.63 2j3w n ASP 14 Cb 1.51 -3.11 -0.05 0.00 1.84 0.00 0.00 41.12 41.31 2j3w n ASP 14 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2j3w s ASN 15 N -2.38 6.78 0.09 -2.24 4.22 -1.24 -4.81 114.94 115.36 2j3w s ASN 15 Ca 0.00 0.95 -0.31 0.00 -2.14 0.00 0.00 52.86 51.36 2j3w s ASN 15 Cb 0.00 -2.38 -0.07 0.00 1.28 0.00 0.00 41.25 40.09 2j3w s ASN 15 CO 0.00 -0.28 1.28 -2.16 -2.04 0.00 0.00 177.10 173.90 2j3w s PRO 16 N 1.83 4.38 -0.01 3.55 0.04 -1.26 -0.04 135.00 143.50 2j3w s PRO 16 Ca 0.32 1.90 0.19 0.00 0.04 0.00 0.00 61.00 63.45 2j3w s PRO 16 Cb -0.16 -3.30 -0.24 0.00 0.04 0.00 0.00 34.50 30.84 2j3w s PRO 16 CO 0.11 -0.33 0.64 1.33 0.04 0.00 0.00 177.00 178.79 2j3w n VAL 17 N 3.92 0.00 -3.63 -0.36 0.24 0.63 -4.81 118.33 114.31 2j3w n VAL 17 Ca 0.10 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 62.06 2j3w n VAL 17 Cb 0.45 0.63 -0.07 0.00 -1.47 0.00 0.00 33.84 33.37 2j3w n VAL 17 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2j3w s PHE 18 N -2.98 -0.85 0.01 6.34 5.36 -1.21 0.42 117.98 125.07 2j3w s PHE 18 Ca 0.01 1.97 0.00 0.00 -0.96 0.00 0.00 56.93 57.95 2j3w s PHE 18 Cb 0.13 0.35 -0.01 0.00 -0.34 0.00 0.00 43.02 43.16 2j3w s PHE 18 CO 0.77 -0.41 -0.01 -1.21 -1.46 0.00 0.00 175.22 172.90 2j3w s GLU 19 N 0.65 0.13 -0.23 10.12 2.02 -1.26 -0.97 118.70 129.17 2j3w s GLU 19 Ca -0.02 -0.25 -0.19 0.00 0.02 0.00 0.00 54.97 54.53 2j3w s GLU 19 Cb -0.05 0.03 0.06 0.00 0.10 0.00 0.00 34.13 34.28 2j3w s GLU 19 CO -0.04 -0.02 0.59 1.41 0.02 0.00 0.00 175.26 177.23 2j3w s MET 20 N -0.60 0.66 0.20 1.61 1.75 0.11 -5.01 119.30 118.03 2j3w s MET 20 Ca -0.06 0.90 0.09 0.00 -1.25 0.00 0.00 55.69 55.36 2j3w s MET 20 Cb -0.04 0.26 -0.04 0.00 2.84 0.00 0.00 34.83 37.85 2j3w s MET 20 CO -0.00 -0.10 -0.04 -1.21 -0.65 0.00 0.00 175.02 173.01 2j3w s GLU 21 N 0.68 2.23 -0.43 4.11 2.02 -1.26 -1.20 118.70 124.86 2j3w s GLU 21 Ca -0.03 -1.26 0.08 0.00 0.02 0.00 0.00 54.97 53.78 2j3w s GLU 21 Cb -0.05 -2.22 0.27 0.00 0.10 0.00 0.00 34.13 32.23 2j3w s GLU 21 CO -0.05 0.42 0.60 1.19 0.02 0.00 0.00 175.26 177.44 2j3w n PHE 22 N -0.28 0.41 -4.36 1.61 3.01 0.52 -5.01 117.46 113.37 2j3w n PHE 22 Ca -0.09 -3.70 -0.32 0.00 1.01 0.00 0.00 57.45 54.35 2j3w n PHE 22 Cb 0.56 -0.39 -0.09 0.00 -0.01 0.00 0.00 39.48 39.54 2j3w n PHE 22 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2j3w s LEU 23 N -1.62 3.38 0.67 4.37 1.43 -1.26 -1.47 118.68 124.18 2j3w s LEU 23 Ca 0.37 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 53.28 2j3w s LEU 23 Cb 0.20 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 2j3w s LEU 23 CO -0.09 0.28 1.07 -2.16 0.23 0.00 0.00 176.35 175.69 2j3w s PRO 24 N -1.48 2.93 0.77 1.29 0.04 -1.26 -5.01 135.00 132.29 2j3w s PRO 24 Ca 0.18 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 2j3w s PRO 24 Cb -0.11 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.50 2j3w s PRO 24 CO 0.09 -1.12 1.09 -1.25 0.04 0.00 0.00 177.00 175.85 2j3w s PRO 25 N -4.50 2.28 0.00 0.56 0.04 -1.26 -4.97 135.00 127.14 2j3w s PRO 25 Ca 0.62 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2j3w s PRO 25 Cb -0.16 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2j3w s PRO 25 CO 0.46 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 176.41 2j3w n GLY 26 N -2.11 3.66 2.01 0.56 0.00 -1.26 -5.07 105.19 102.98 2j3w n GLY 26 Ca 0.07 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.45 2j3w n GLY 26 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2j3w n LYS 27 N -0.97 -0.65 0.00 1.61 2.85 -1.26 -4.80 118.16 114.94 2j3w n LYS 27 Ca 0.00 0.28 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 2j3w n LYS 27 Cb 0.00 -2.78 0.00 0.00 -0.65 0.00 0.00 35.03 31.60 2j3w n LYS 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2j3w n ALA 28 N -1.98 0.00 0.52 0.58 0.00 -1.26 -1.15 120.51 117.22 2j3w n ALA 28 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 2j3w n ALA 28 Cb 0.53 0.20 0.05 0.00 0.00 0.00 0.00 19.45 20.23 2j3w n ALA 28 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2j3w n GLU 29 N -0.84 1.36 -0.01 0.00 4.07 -1.26 -2.35 120.64 121.62 2j3w n GLU 29 Ca 0.00 -0.67 0.03 0.00 -0.06 0.00 0.00 57.16 56.46 2j3w n GLU 29 Cb 0.00 -1.32 -0.05 0.00 -0.06 0.00 0.00 31.44 30.01 2j3w n GLU 29 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2j3w n SER 30 N 0.14 3.42 0.04 4.31 2.88 -0.77 -4.72 113.62 118.92 2j3w n SER 30 Ca 0.12 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.56 2j3w n SER 30 Cb 0.72 1.27 -0.05 0.00 -0.75 0.00 0.00 64.21 65.40 2j3w n SER 30 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2j3w h LYS 31 N 0.00 -0.18 -0.66 -1.46 3.64 -0.74 -1.90 116.57 115.28 2j3w h LYS 31 Ca -0.01 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2j3w h LYS 31 Cb 0.39 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 2j3w h LYS 31 CO 0.00 -0.12 0.37 -0.44 -2.27 0.00 0.00 179.45 176.99 2j3w h ASP 32 N -0.18 0.81 -0.67 4.20 3.45 -1.85 -1.56 116.42 120.63 2j3w h ASP 32 Ca 0.05 -0.09 -0.06 0.00 0.43 0.00 0.00 57.03 57.37 2j3w h ASP 32 Cb 0.25 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.79 2j3w h ASP 32 CO -0.14 0.66 0.19 0.44 -1.57 0.00 0.00 179.24 178.82 2j3w h ASP 33 N 0.90 1.01 0.57 6.45 3.32 -1.82 -2.29 116.42 124.55 2j3w h ASP 33 Ca 0.23 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2j3w h ASP 33 Cb 0.02 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 2j3w h ASP 33 CO -0.04 0.96 -0.31 0.45 -1.72 0.00 0.00 179.24 178.57 2j3w h HIS 34 N 1.03 0.00 -0.03 4.55 3.86 -1.08 -1.55 115.15 121.92 2j3w h HIS 34 Ca 0.22 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 2j3w h HIS 34 Cb 0.33 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 2j3w h HIS 34 CO 0.02 0.31 -0.02 -0.09 0.86 0.00 0.00 177.93 179.02 2j3w h ARG 35 N 0.00 0.06 -0.00 2.45 9.65 -0.90 0.12 114.38 125.76 2j3w h ARG 35 Ca -0.00 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.87 2j3w h ARG 35 Cb 0.69 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.24 2j3w h ARG 35 CO 0.04 0.48 -0.13 0.45 2.80 0.00 0.00 179.97 183.61 2j3w h HIS 36 N -0.36 -0.34 -0.72 2.20 3.86 -1.30 0.05 115.15 118.55 2j3w h HIS 36 Ca 0.01 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 2j3w h HIS 36 Cb 0.46 0.15 -0.05 0.00 1.06 0.00 0.00 27.41 29.03 2j3w h HIS 36 CO 0.08 -0.20 0.44 1.25 0.86 0.00 0.00 177.93 180.36 2j3w h LEU 37 N -0.22 0.71 -0.63 2.43 5.85 -1.30 -0.59 115.31 121.55 2j3w h LEU 37 Ca 0.05 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2j3w h LEU 37 Cb 0.28 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2j3w h LEU 37 CO -0.13 0.48 0.40 0.78 -0.34 0.00 0.00 178.44 179.62 2j3w h ASN 38 N 0.84 0.73 -0.39 1.25 2.35 -0.33 0.83 115.58 120.86 2j3w h ASN 38 Ca 0.30 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 2j3w h ASN 38 Cb 0.08 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2j3w h ASN 38 CO -0.13 0.55 0.22 1.56 -1.65 0.00 0.00 177.43 177.98 2j3w h GLN 39 N 0.85 0.54 -0.51 0.81 4.20 -0.42 -0.51 115.11 120.07 2j3w h GLN 39 Ca 0.23 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 2j3w h GLN 39 Cb -0.06 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 2j3w h GLN 39 CO -0.05 0.43 0.21 0.74 -0.67 0.00 0.00 178.83 179.50 2j3w h PHE 40 N 0.50 0.77 -0.91 2.96 0.05 -0.82 0.15 116.94 119.63 2j3w h PHE 40 Ca 0.14 -0.05 0.01 0.00 3.82 0.00 0.00 57.97 61.89 2j3w h PHE 40 Cb 0.05 -0.23 -0.05 0.00 2.00 0.00 0.00 35.95 37.72 2j3w h PHE 40 CO -0.03 0.63 0.60 0.82 -0.18 0.00 0.00 178.31 180.16 2j3w h ILE 41 N 0.68 1.23 -0.27 -0.55 2.04 -0.62 0.13 117.51 120.14 2j3w h ILE 41 Ca 0.17 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2j3w h ILE 41 Cb 0.18 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 2j3w h ILE 41 CO -0.02 0.22 0.17 0.00 0.00 0.00 0.00 178.15 178.53 2j3w h ALA 42 N 1.34 0.34 -0.48 1.87 0.00 -0.56 -1.47 119.26 120.31 2j3w h ALA 42 Ca 0.34 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2j3w h ALA 42 Cb -0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2j3w h ALA 42 CO -0.08 -0.16 0.17 1.25 0.00 0.00 0.00 179.25 180.43 2j3w h HIS 43 N 0.35 0.76 -0.18 0.00 -0.00 -0.23 -2.71 115.15 113.13 2j3w h HIS 43 Ca 0.10 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2j3w h HIS 43 Cb -0.00 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.17 2j3w h HIS 43 CO -0.05 0.66 0.07 0.00 -0.00 0.00 0.00 177.93 178.61 2j3w h ALA 44 N 1.02 1.78 0.00 5.26 0.00 -0.56 -2.01 119.26 124.75 2j3w h ALA 44 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2j3w h ALA 44 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2j3w h ALA 44 CO -0.01 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.42 2j3w h ALA 45 N 1.83 1.00 -0.81 0.00 0.00 -0.93 -3.01 119.26 117.34 2j3w h ALA 45 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2j3w h ALA 45 Cb 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2j3w h ALA 45 CO -0.01 0.00 0.37 -0.07 0.00 0.00 0.00 179.25 179.55 2j3w h LEU 46 N 0.00 1.07 -0.13 0.00 3.38 -1.43 -1.71 115.31 116.50 2j3w h LEU 46 Ca 0.00 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.88 2j3w h LEU 46 Cb 0.20 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 2j3w h LEU 46 CO 0.00 0.91 -0.27 0.44 0.09 0.00 0.00 178.44 179.62 2j3w h ASP 47 N 1.16 -0.83 0.14 -0.43 5.19 -1.73 0.47 116.42 120.40 2j3w h ASP 47 Ca 0.28 0.13 -0.06 0.00 -0.62 0.00 0.00 57.03 56.75 2j3w h ASP 47 Cb 0.14 0.36 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 2j3w h ASP 47 CO -0.03 -0.32 -0.23 -0.07 -3.12 0.00 0.00 179.24 175.47 2j3w h LEU 48 N -0.34 0.17 -0.24 1.55 3.38 -1.73 -2.58 115.31 115.52 2j3w h LEU 48 Ca 0.10 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2j3w h LEU 48 Cb 0.49 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2j3w h LEU 48 CO -0.32 0.41 -0.18 0.58 0.09 0.00 0.00 178.44 179.02 2j3w h VAL 49 N 0.16 1.31 0.00 1.22 2.07 -0.31 -1.40 116.25 119.31 2j3w h VAL 49 Ca 0.03 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.24 2j3w h VAL 49 Cb 0.50 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2j3w h VAL 49 CO 0.03 0.41 0.00 0.44 0.02 0.00 0.00 177.57 178.47 2j3w h ASP 50 N 0.24 0.00 0.00 0.57 5.19 0.09 -0.75 116.42 121.76 2j3w h ASP 50 Ca 0.04 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.42 2j3w h ASP 50 Cb 0.71 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.22 2j3w h ASP 50 CO 0.05 0.00 -0.44 -0.08 -3.12 0.00 0.00 179.24 175.64 2j3w h GLU 51 N 0.00 0.00 0.00 3.56 4.81 -1.28 -3.40 114.58 118.27 2j3w h GLU 51 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2j3w h GLU 51 Cb 0.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 2j3w h GLU 51 CO 0.00 0.20 -0.09 -0.91 -0.73 0.00 0.00 179.01 177.48 2j3w h ASN 52 N -1.00 0.00 -0.16 1.04 -0.26 -1.16 -3.02 115.58 111.02 2j3w h ASN 52 Ca -0.05 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.67 2j3w h ASN 52 Cb 0.51 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 2j3w h ASN 52 CO -0.03 0.09 0.04 0.00 -1.06 0.00 0.00 177.43 176.48 2j3w h MET 53 N 0.00 0.34 0.00 0.81 -0.00 -1.34 -2.06 114.93 112.68 2j3w h MET 53 Ca -0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 2j3w h MET 53 Cb 0.19 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 31.73 2j3w h MET 53 CO 0.01 0.33 0.00 0.91 -0.00 0.00 0.00 176.91 178.16 2j3w n TRP 54 N -4.39 0.12 1.04 -0.10 7.02 -1.14 -3.19 117.44 116.80 2j3w n TRP 54 Ca 0.00 0.03 0.12 0.00 -1.02 0.00 0.00 57.50 56.64 2j3w n TRP 54 Cb 0.16 -0.56 0.23 0.00 -2.42 0.00 0.00 31.31 28.73 2j3w n TRP 54 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2j3w n LEU 55 N -1.60 2.64 -3.89 -0.99 4.77 -0.78 -4.93 117.00 112.23 2j3w n LEU 55 Ca 0.07 -0.93 -0.11 0.00 -0.03 0.00 0.00 56.01 55.00 2j3w n LEU 55 Cb 0.34 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.28 2j3w n LEU 55 CO 0.27 0.47 -0.22 -0.55 -1.33 0.00 0.00 177.39 176.02 2j3w s SER 56 N -1.90 0.04 0.00 -1.43 0.15 -1.19 -5.04 113.70 104.32 2j3w s SER 56 Ca 0.32 -0.18 0.22 0.00 0.70 0.00 0.00 55.95 57.01 2j3w s SER 56 Cb 0.20 0.19 0.56 0.00 -1.71 0.00 0.00 66.02 65.27 2j3w s SER 56 CO 0.31 -0.29 1.48 0.59 1.20 0.00 0.00 173.24 176.53 2j3w n ASN 57 N 1.80 3.57 -4.86 5.45 4.13 -1.26 -4.86 115.26 119.23 2j3w n ASN 57 Ca -0.21 -1.99 -0.35 0.00 1.68 0.00 0.00 54.58 53.72 2j3w n ASN 57 Cb 0.56 -0.39 -0.05 0.00 -1.54 0.00 0.00 39.78 38.36 2j3w n ASN 57 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2j3w s ASN 58 N -1.16 6.68 0.18 6.41 0.01 -1.26 -4.99 114.94 120.80 2j3w s ASN 58 Ca 0.44 0.85 -0.02 0.00 -0.71 0.00 0.00 52.86 53.42 2j3w s ASN 58 Cb 0.24 -2.20 0.07 0.00 0.41 0.00 0.00 41.25 39.76 2j3w s ASN 58 CO 0.31 0.15 1.45 0.24 -1.51 0.00 0.00 177.10 177.74 2j3w h MET 59 N 3.62 0.42 -6.02 -0.60 2.86 -1.93 -3.42 114.93 109.86 2j3w h MET 59 Ca -0.49 -0.33 -0.60 0.00 -2.06 0.00 0.00 59.70 56.22 2j3w h MET 59 Cb 1.19 0.07 -0.10 0.00 0.06 0.00 0.00 31.60 32.82 2j3w h MET 59 CO 0.66 0.96 0.56 -0.47 1.06 0.00 0.00 176.91 179.69 2j3w s TYR 60 N -3.67 3.09 -2.70 -0.22 5.04 -1.26 0.52 117.35 118.15 2j3w s TYR 60 Ca -0.06 0.74 0.26 0.00 -2.44 0.00 0.00 57.07 55.57 2j3w s TYR 60 Cb 0.11 -3.59 0.70 0.00 0.35 0.00 0.00 41.96 39.52 2j3w s TYR 60 CO 0.84 -0.80 1.55 1.28 -1.34 0.00 0.00 175.55 177.07 2j3w n LEU 61 N 6.69 2.12 0.00 6.97 4.77 0.24 -5.00 117.00 132.79 2j3w n LEU 61 Ca 0.06 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 2j3w n LEU 61 Cb 0.48 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2j3w n LEU 61 CO 0.57 0.35 0.00 0.29 -1.33 0.00 0.00 177.39 177.27 2j3w n LYS 62 N 0.66 0.00 -2.59 3.23 5.02 -1.23 -4.57 118.16 118.67 2j3w n LYS 62 Ca 0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.04 2j3w n LYS 62 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.43 2j3w n LYS 62 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2j3w s THR 63 N 0.00 4.47 -0.49 -0.18 -4.23 -1.26 -1.82 115.64 112.14 2j3w s THR 63 Ca 0.00 1.81 0.05 0.00 -1.18 0.00 0.00 61.69 62.38 2j3w s THR 63 Cb 0.00 -4.16 0.00 0.00 1.34 0.00 0.00 72.50 69.68 2j3w s THR 63 CO 0.00 0.16 0.48 1.33 -0.54 0.00 0.00 174.62 176.05 2j3w n VAL 64 N 3.73 0.00 -4.03 2.29 0.24 0.24 -4.95 118.33 115.83 2j3w n VAL 64 Ca 0.07 -0.46 0.04 0.00 -2.04 0.00 0.00 64.34 61.95 2j3w n VAL 64 Cb 0.49 1.07 0.01 0.00 -1.47 0.00 0.00 33.84 33.94 2j3w n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2j3w s ASP 65 N -0.84 0.00 -0.16 -1.34 2.15 -1.19 -5.01 116.67 110.28 2j3w s ASP 65 Ca 0.04 -0.04 -0.06 0.00 0.43 0.00 0.00 52.55 52.92 2j3w s ASP 65 Cb 0.04 0.03 0.07 0.00 -0.30 0.00 0.00 42.92 42.76 2j3w s ASP 65 CO 0.12 -0.06 0.34 -0.75 -0.17 0.00 0.00 175.17 174.64 2j3w s LYS 66 N -2.00 0.25 -0.32 4.34 2.20 -1.26 -0.35 119.74 122.60 2j3w s LYS 66 Ca 0.32 0.85 -0.00 0.00 -0.36 0.00 0.00 55.97 56.77 2j3w s LYS 66 Cb -0.00 0.10 0.07 0.00 -1.51 0.00 0.00 37.83 36.49 2j3w s LYS 66 CO -0.03 -0.25 0.02 0.12 -0.36 0.00 0.00 175.35 174.86 2j3w s PHE 67 N 2.27 3.38 0.00 4.03 5.36 -0.02 -4.97 117.98 128.03 2j3w s PHE 67 Ca -0.02 -2.19 0.00 0.00 -0.96 0.00 0.00 56.93 53.76 2j3w s PHE 67 Cb -0.11 -2.37 0.00 0.00 -0.34 0.00 0.00 43.02 40.20 2j3w s PHE 67 CO -0.11 -0.86 0.00 0.09 -1.46 0.00 0.00 175.22 172.88 2j3w n ASN 68 N 4.53 0.00 -0.04 6.13 4.13 -1.26 -1.17 115.26 127.58 2j3w n ASN 68 Ca -0.09 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.31 2j3w n ASN 68 Cb 0.43 0.00 0.59 0.00 -1.54 0.00 0.00 39.78 39.26 2j3w n ASN 68 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2j3w n GLU 69 N 13.85 0.33 -2.70 3.52 -0.00 -1.26 -4.81 120.64 129.57 2j3w n GLU 69 Ca 0.00 -0.08 -0.42 0.00 -0.00 0.00 0.00 57.16 56.65 2j3w n GLU 69 Cb 0.00 -1.50 -0.03 0.00 -0.00 0.00 0.00 31.44 29.91 2j3w n GLU 69 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2j3w s TRP 70 N -2.73 2.66 0.39 -1.84 0.23 -0.32 -4.31 118.94 113.02 2j3w s TRP 70 Ca 0.22 0.15 -0.25 0.00 -2.03 0.00 0.00 56.10 54.19 2j3w s TRP 70 Cb 0.19 -4.33 -0.09 0.00 0.03 0.00 0.00 33.47 29.28 2j3w s TRP 70 CO 0.52 -1.53 1.10 -0.06 0.96 0.00 0.00 176.95 177.94 2j3w s PHE 71 N 4.55 3.22 -0.24 -1.98 0.40 0.13 -0.84 117.98 123.21 2j3w s PHE 71 Ca 0.36 1.62 -0.00 0.00 -0.60 0.00 0.00 56.93 58.31 2j3w s PHE 71 Cb -0.10 -3.25 0.03 0.00 0.51 0.00 0.00 43.02 40.22 2j3w s PHE 71 CO 0.21 -0.88 -0.09 0.08 0.70 0.00 0.00 175.22 175.24 2j3w s VAL 72 N -1.51 2.57 0.24 -0.44 1.01 0.53 -1.25 120.40 121.55 2j3w s VAL 72 Ca 0.56 -1.18 0.07 0.00 0.00 0.00 0.00 61.98 61.43 2j3w s VAL 72 Cb -0.26 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2j3w s VAL 72 CO 0.33 0.18 0.14 -0.44 0.00 0.00 0.00 175.10 175.31 2j3w s SER 73 N 1.26 5.30 0.04 3.32 0.01 -0.29 0.79 113.70 124.14 2j3w s SER 73 Ca -0.02 -0.31 -0.11 0.00 1.31 0.00 0.00 55.95 56.82 2j3w s SER 73 Cb -0.17 -1.29 0.01 0.00 0.21 0.00 0.00 66.02 64.78 2j3w s SER 73 CO -0.06 -0.01 0.23 0.00 0.41 0.00 0.00 173.24 173.82 2j3w s ALA 74 N -2.09 -0.47 -0.03 1.44 0.00 -0.75 -1.32 121.76 118.54 2j3w s ALA 74 Ca 0.32 -0.20 -0.00 0.00 0.00 0.00 0.00 51.96 52.08 2j3w s ALA 74 Cb -0.08 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.37 2j3w s ALA 74 CO 0.23 -0.38 0.02 0.12 0.00 0.00 0.00 175.76 175.75 2j3w s PHE 75 N -2.61 0.22 -0.24 0.00 5.36 -0.39 -0.59 117.98 119.74 2j3w s PHE 75 Ca -0.05 0.06 -0.01 0.00 -0.96 0.00 0.00 56.93 55.98 2j3w s PHE 75 Cb -0.01 -0.40 0.03 0.00 -0.34 0.00 0.00 43.02 42.30 2j3w s PHE 75 CO -0.04 -0.14 -0.08 0.08 -1.46 0.00 0.00 175.22 173.58 2j3w s VAL 76 N 1.26 2.69 1.01 3.12 1.01 0.18 -0.02 120.40 129.65 2j3w s VAL 76 Ca -0.07 -1.07 -0.14 0.00 0.00 0.00 0.00 61.98 60.70 2j3w s VAL 76 Cb -0.13 -2.36 0.19 0.00 0.00 0.00 0.00 36.38 34.08 2j3w s VAL 76 CO -0.02 0.22 1.12 0.42 0.00 0.00 0.00 175.10 176.84 2j3w s THR 77 N 1.30 1.93 0.41 3.92 -4.23 -0.80 -4.37 115.64 113.80 2j3w s THR 77 Ca -0.00 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.59 2j3w s THR 77 Cb -0.16 -2.61 0.24 0.00 1.34 0.00 0.00 72.50 71.31 2j3w s THR 77 CO -0.06 0.00 2.03 0.00 -0.54 0.00 0.00 174.62 176.05 2j3w h ALA 78 N -1.88 1.67 -0.52 3.99 0.00 -2.00 -0.75 119.26 119.78 2j3w h ALA 78 Ca -0.51 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 2j3w h ALA 78 Cb 1.32 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2j3w h ALA 78 CO 0.54 0.27 0.12 0.41 0.00 0.00 0.00 179.25 180.59 2j3w n GLY 79 N -1.33 2.93 3.58 0.00 0.00 -1.26 -4.93 105.19 104.19 2j3w n GLY 79 Ca 0.02 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 2j3w n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2j3w n HIS 80 N 0.20 -2.11 -2.83 1.61 -0.00 -0.29 -4.98 115.22 106.82 2j3w n HIS 80 Ca 0.27 0.71 -0.40 0.00 -0.00 0.00 0.00 57.72 58.30 2j3w n HIS 80 Cb 1.08 -3.79 -0.06 0.00 -0.00 0.00 0.00 29.99 27.22 2j3w n HIS 80 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2j3w s MET 81 N -6.27 4.74 -0.30 -0.41 1.00 -1.26 -4.70 119.30 112.10 2j3w s MET 81 Ca 0.52 1.36 -0.08 0.00 0.00 0.00 0.00 55.69 57.49 2j3w s MET 81 Cb -0.26 -3.28 0.00 0.00 0.00 0.00 0.00 34.83 31.29 2j3w s MET 81 CO 0.64 0.51 0.11 1.03 0.00 0.00 0.00 175.02 177.32 2j3w s ARG 82 N -1.07 3.22 -0.20 2.03 0.52 -0.56 -1.91 118.95 120.99 2j3w s ARG 82 Ca 0.39 -0.78 -0.19 0.00 -0.52 0.00 0.00 55.73 54.64 2j3w s ARG 82 Cb -0.25 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 31.73 2j3w s ARG 82 CO 0.30 -0.42 0.53 -0.06 0.02 0.00 0.00 175.30 175.66 2j3w s PHE 83 N 1.56 3.37 -0.11 -0.53 2.99 0.97 -0.02 117.98 126.20 2j3w s PHE 83 Ca 0.04 0.78 0.02 0.00 0.00 0.00 0.00 56.93 57.77 2j3w s PHE 83 Cb -0.17 -2.68 -0.01 0.00 0.00 0.00 0.00 43.02 40.16 2j3w s PHE 83 CO 0.04 -0.11 -0.17 0.42 -0.00 0.00 0.00 175.22 175.40 2j3w s ILE 84 N 1.67 2.69 -0.20 0.64 -1.09 0.30 -1.26 121.20 123.94 2j3w s ILE 84 Ca 0.24 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.87 2j3w s ILE 84 Cb -0.15 -2.09 0.05 0.00 -1.58 0.00 0.00 42.46 38.68 2j3w s ILE 84 CO 0.10 0.54 -0.07 -0.32 -1.23 0.00 0.00 174.94 173.96 2j3w s MET 85 N 0.26 1.72 -0.15 2.79 -2.45 -0.44 -1.47 119.30 119.56 2j3w s MET 85 Ca -0.12 -0.78 -0.18 0.00 -1.25 0.00 0.00 55.69 53.36 2j3w s MET 85 Cb -0.16 -2.34 -0.04 0.00 1.25 0.00 0.00 34.83 33.54 2j3w s MET 85 CO 0.06 -0.48 0.48 -0.51 1.05 0.00 0.00 175.02 175.63 2j3w s LEU 86 N 1.47 4.22 -0.12 4.11 1.43 0.46 -1.13 118.68 129.12 2j3w s LEU 86 Ca -0.02 0.74 -0.13 0.00 -1.03 0.00 0.00 54.13 53.70 2j3w s LEU 86 Cb -0.17 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.41 2j3w s LEU 86 CO -0.07 -0.06 0.36 -1.38 0.23 0.00 0.00 176.35 175.42 2j3w s HIS 87 N 1.00 -0.38 -0.23 0.29 -3.43 -0.38 -0.66 115.29 111.50 2j3w s HIS 87 Ca 0.25 0.91 0.20 0.00 -0.80 0.00 0.00 55.06 55.61 2j3w s HIS 87 Cb -0.15 0.13 0.30 0.00 -1.43 0.00 0.00 32.58 31.43 2j3w s HIS 87 CO 0.10 -0.21 1.56 -0.44 -2.00 0.00 0.00 174.74 173.75 2j3w h ASP 88 N 5.40 0.00 -3.25 7.38 3.32 -1.72 0.36 116.42 127.92 2j3w h ASP 88 Ca -0.27 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.17 2j3w h ASP 88 Cb 1.18 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.39 2j3w h ASP 88 CO 0.29 0.26 -0.84 -0.69 -1.72 0.00 0.00 179.24 176.54 2j3w s VAL 89 N -3.15 1.65 0.08 -1.35 1.01 -1.26 -4.83 120.40 112.55 2j3w s VAL 89 Ca 0.05 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 2j3w s VAL 89 Cb 0.07 -1.49 -0.10 0.00 0.00 0.00 0.00 36.38 34.86 2j3w s VAL 89 CO 0.70 0.47 1.90 -0.13 0.00 0.00 0.00 175.10 178.04 2j3w s ARG 90 N 0.94 4.14 -0.40 2.72 0.52 -1.26 -4.90 118.95 120.70 2j3w s ARG 90 Ca -0.07 2.61 0.10 0.00 -0.52 0.00 0.00 55.73 57.85 2j3w s ARG 90 Cb -0.15 -3.88 0.33 0.00 0.52 0.00 0.00 34.95 31.77 2j3w s ARG 90 CO -0.02 -0.90 0.80 0.94 0.02 0.00 0.00 175.30 176.14 2j3w n GLN 91 N 6.61 0.95 -0.19 3.54 7.27 -1.26 -5.03 117.38 129.26 2j3w n GLN 91 Ca 0.19 -2.99 -0.06 0.00 0.07 0.00 0.00 57.00 54.21 2j3w n GLN 91 Cb 0.40 -1.50 -0.05 0.00 2.41 0.00 0.00 30.24 31.49 2j3w n GLN 91 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 2j3w h GLU 92 N 3.14 -0.03 -0.23 3.69 4.81 -1.98 0.27 114.58 124.24 2j3w h GLU 92 Ca 0.04 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2j3w h GLU 92 Cb 0.99 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 2j3w h GLU 92 CO 0.41 -0.02 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.19 2j3w h ASP 93 N -0.04 -0.17 0.31 1.04 3.45 -1.99 0.33 116.42 119.35 2j3w h ASP 93 Ca 0.08 0.06 -0.00 0.00 0.43 0.00 0.00 57.03 57.60 2j3w h ASP 93 Cb 0.23 0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.11 2j3w h ASP 93 CO -0.46 -0.06 -0.26 1.23 -1.57 0.00 0.00 179.24 178.12 2j3w h GLY 94 N 0.02 -0.62 1.22 2.75 0.00 -1.71 -1.63 103.07 103.11 2j3w h GLY 94 Ca 0.11 0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.78 2j3w h GLY 94 CO -0.22 -0.24 0.43 -2.22 0.00 0.00 0.00 176.54 174.29 2j3w h ILE 95 N -0.59 1.08 0.28 2.60 2.04 -0.35 -1.86 117.51 120.72 2j3w h ILE 95 Ca -0.02 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2j3w h ILE 95 Cb 0.52 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2j3w h ILE 95 CO -0.03 0.14 -0.13 0.50 0.00 0.00 0.00 178.15 178.63 2j3w h LYS 96 N 0.76 -0.36 -0.82 2.37 3.64 -0.51 -1.69 116.57 119.95 2j3w h LYS 96 Ca 0.27 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.75 2j3w h LYS 96 Cb 0.11 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 2j3w h LYS 96 CO -0.08 -0.19 0.53 -0.91 -2.27 0.00 0.00 179.45 176.54 2j3w h ASN 97 N -0.46 0.75 -0.16 4.20 2.35 -0.92 0.11 115.58 121.44 2j3w h ASN 97 Ca -0.04 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2j3w h ASN 97 Cb 0.35 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2j3w h ASN 97 CO 0.06 0.47 0.05 0.15 -1.65 0.00 0.00 177.43 176.51 2j3w h PHE 98 N 0.84 0.27 -0.22 1.19 3.57 -1.19 -1.59 116.94 119.82 2j3w h PHE 98 Ca 0.36 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.86 2j3w h PHE 98 Cb 0.32 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2j3w h PHE 98 CO -0.00 0.38 0.08 0.74 -2.23 0.00 0.00 178.31 177.28 2j3w h PHE 99 N 0.08 0.15 -0.72 0.41 0.05 -0.44 -1.08 116.94 115.39 2j3w h PHE 99 Ca 0.05 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.84 2j3w h PHE 99 Cb 0.24 -0.04 -0.03 0.00 2.00 0.00 0.00 35.95 38.12 2j3w h PHE 99 CO 0.00 0.08 0.41 1.15 -0.18 0.00 0.00 178.31 179.77 2j3w h THR 100 N 0.19 1.21 -0.00 -1.55 2.02 -0.98 0.71 112.91 114.51 2j3w h THR 100 Ca 0.09 -0.50 -0.25 0.00 0.77 0.00 0.00 66.41 66.52 2j3w h THR 100 Cb 0.05 0.22 0.02 0.00 -1.74 0.00 0.00 68.15 66.70 2j3w h THR 100 CO -0.09 0.23 -1.01 0.44 0.37 0.00 0.00 175.52 175.46 2j3w h ASP 101 N 0.99 0.81 -0.18 4.18 3.32 -1.11 -2.55 116.42 121.90 2j3w h ASP 101 Ca 0.26 -0.65 -0.10 0.00 0.02 0.00 0.00 57.03 56.56 2j3w h ASP 101 Cb -0.00 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2j3w h ASP 101 CO -0.04 1.45 -0.21 0.58 -1.72 0.00 0.00 179.24 179.29 2j3w h VAL 102 N 0.36 1.26 -0.26 -1.35 2.07 -0.99 -1.53 116.25 115.81 2j3w h VAL 102 Ca -0.11 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 2j3w h VAL 102 Cb 1.66 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2j3w h VAL 102 CO 0.19 0.41 0.16 0.22 0.02 0.00 0.00 177.57 178.57 2j3w h TYR 103 N 0.55 0.34 -0.98 1.57 3.20 -0.87 0.71 116.97 121.48 2j3w h TYR 103 Ca 0.08 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.07 2j3w h TYR 103 Cb 0.67 -0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.74 2j3w h TYR 103 CO 0.03 0.25 0.62 0.22 -1.64 0.00 0.00 178.16 177.65 2j3w h ASP 104 N 0.33 0.90 -0.00 -2.11 3.58 -1.19 0.49 116.42 118.42 2j3w h ASP 104 Ca 0.09 0.04 -0.15 0.00 0.42 0.00 0.00 57.03 57.44 2j3w h ASP 104 Cb 0.01 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 2j3w h ASP 104 CO -0.02 0.50 -0.48 0.25 -2.88 0.00 0.00 179.24 176.61 2j3w h LEU 105 N 0.98 0.60 -0.38 2.28 5.85 -0.35 -2.98 115.31 121.30 2j3w h LEU 105 Ca 0.48 -0.30 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 2j3w h LEU 105 Cb 0.46 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2j3w h LEU 105 CO -0.24 0.99 -0.22 0.22 -0.34 0.00 0.00 178.44 178.85 2j3w h TYR 106 N 0.44 0.96 -0.09 1.25 3.20 0.28 -2.28 116.97 120.72 2j3w h TYR 106 Ca 0.02 -0.25 0.04 0.00 3.14 0.00 0.00 58.73 61.68 2j3w h TYR 106 Cb 1.00 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 2j3w h TYR 106 CO 0.04 1.01 -0.16 0.82 -1.64 0.00 0.00 178.16 178.23 2j3w h ILE 107 N 0.62 0.59 -0.40 1.81 1.08 -0.11 0.60 117.51 121.71 2j3w h ILE 107 Ca 0.08 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.58 2j3w h ILE 107 Cb 0.78 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 2j3w h ILE 107 CO 0.06 0.00 0.20 0.11 -0.69 0.00 0.00 178.15 177.83 2j3w h LYS 108 N -0.22 0.39 -0.16 2.37 1.57 -1.54 -0.48 116.57 118.50 2j3w h LYS 108 Ca 0.08 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2j3w h LYS 108 Cb 0.34 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2j3w h LYS 108 CO -0.22 0.26 0.07 0.35 -0.57 0.00 0.00 179.45 179.34 2j3w h PHE 109 N 0.40 0.23 0.00 -1.35 3.57 -1.15 -2.97 116.94 115.67 2j3w h PHE 109 Ca 0.17 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2j3w h PHE 109 Cb 0.08 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.75 2j3w h PHE 109 CO -0.10 0.28 0.00 0.00 -2.23 0.00 0.00 178.31 176.26 2j3w h ALA 110 N 0.92 1.00 0.00 2.41 0.00 -0.70 -2.85 119.26 120.05 2j3w h ALA 110 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2j3w h ALA 110 Cb 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2j3w h ALA 110 CO -0.01 0.00 -0.10 1.98 0.00 0.00 0.00 179.25 181.12 2j3w h MET 111 N 0.00 0.00 -6.24 0.00 1.85 -0.91 -3.44 114.93 106.19 2j3w h MET 111 Ca 0.00 0.00 -0.60 0.00 -0.61 0.00 0.00 59.70 58.49 2j3w h MET 111 Cb 0.43 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.48 2j3w h MET 111 CO 0.00 0.10 1.21 -1.71 -0.40 0.00 0.00 176.91 176.11 2j3w n ASN 112 N -3.23 3.51 -0.00 1.39 5.15 -1.08 -4.84 115.26 116.17 2j3w n ASN 112 Ca 0.01 0.81 0.23 0.00 -0.60 0.00 0.00 54.58 55.03 2j3w n ASN 112 Cb 0.38 -1.43 0.72 0.00 -0.53 0.00 0.00 39.78 38.92 2j3w n ASN 112 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2j3w h PRO 113 N 10.58 0.00 -0.03 1.20 0.13 -1.91 0.49 132.00 142.46 2j3w h PRO 113 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2j3w h PRO 113 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2j3w h PRO 113 CO 0.95 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.91 2j3w n PHE 114 N -3.88 0.03 -2.84 1.56 3.01 -1.26 -4.85 117.46 109.23 2j3w n PHE 114 Ca 0.11 -0.02 -0.41 0.00 1.01 0.00 0.00 57.45 58.14 2j3w n PHE 114 Cb 0.76 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.19 2j3w n PHE 114 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2j3w s TYR 115 N -1.97 3.52 -0.27 1.38 5.04 0.16 -5.02 117.35 120.20 2j3w s TYR 115 Ca 0.39 1.42 -0.29 0.00 -2.44 0.00 0.00 57.07 56.15 2j3w s TYR 115 Cb 0.19 -3.03 0.01 0.00 0.35 0.00 0.00 41.96 39.48 2j3w s TYR 115 CO 0.31 -0.12 1.08 -1.21 -1.34 0.00 0.00 175.55 174.26 2j3w s GLU 116 N 1.61 4.16 0.38 4.97 2.02 -1.26 -4.99 118.70 125.59 2j3w s GLU 116 Ca 0.43 1.25 -0.26 0.00 0.02 0.00 0.00 54.97 56.41 2j3w s GLU 116 Cb -0.18 -3.70 -0.12 0.00 0.10 0.00 0.00 34.13 30.24 2j3w s GLU 116 CO 0.18 -0.77 1.08 -0.35 0.02 0.00 0.00 175.26 175.42 2j3w n PRO 117 N 6.61 1.54 -0.74 0.39 -0.04 -1.26 -0.92 135.00 140.57 2j3w n PRO 117 Ca 0.12 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 2j3w n PRO 117 Cb 0.46 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 2j3w n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2j3w n ASN 118 N 0.70 -2.45 -4.87 3.54 3.02 -1.26 -4.97 115.26 108.97 2j3w n ASN 118 Ca 0.08 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.33 2j3w n ASN 118 Cb 0.37 -2.67 0.00 0.00 -0.61 0.00 0.00 39.78 36.87 2j3w n ASN 118 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2j3w s SER 119 N -2.05 6.27 0.17 6.41 1.04 -0.10 -4.86 113.70 120.58 2j3w s SER 119 Ca 0.00 1.35 -0.31 0.00 0.48 0.00 0.00 55.95 57.46 2j3w s SER 119 Cb 0.00 -2.43 -0.10 0.00 0.10 0.00 0.00 66.02 63.59 2j3w s SER 119 CO 0.00 -0.79 1.52 -2.16 0.98 0.00 0.00 173.24 172.79 2j3w s PRO 120 N -4.99 4.24 -0.53 4.02 0.04 -1.26 -4.82 135.00 131.71 2j3w s PRO 120 Ca 0.54 2.30 -0.28 0.00 0.04 0.00 0.00 61.00 63.60 2j3w s PRO 120 Cb -0.11 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.29 2j3w s PRO 120 CO 0.50 -0.55 1.28 0.42 0.04 0.00 0.00 177.00 178.69 2j3w s ILE 121 N 0.95 3.97 -0.60 0.56 1.01 0.17 -4.95 121.20 122.31 2j3w s ILE 121 Ca 0.67 0.91 0.00 0.00 0.00 0.00 0.00 60.65 62.24 2j3w s ILE 121 Cb -0.42 -4.54 0.15 0.00 0.01 0.00 0.00 42.46 37.66 2j3w s ILE 121 CO 0.33 -1.13 0.38 -0.13 0.00 0.00 0.00 174.94 174.39 2j3w s ARG 122 N 5.00 2.36 -0.19 2.79 1.81 -1.26 -4.82 118.95 124.64 2j3w s ARG 122 Ca 0.50 -2.62 -0.05 0.00 -1.72 0.00 0.00 55.73 51.83 2j3w s ARG 122 Cb -0.09 -3.57 0.09 0.00 -0.45 0.00 0.00 34.95 30.93 2j3w s ARG 122 CO 0.28 -1.16 0.34 0.45 -0.68 0.00 0.00 175.30 174.53 2j3w s SER 123 N 0.20 0.21 0.27 0.23 0.15 -1.26 -5.02 113.70 108.49 2j3w s SER 123 Ca 0.18 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.40 2j3w s SER 123 Cb -0.22 0.99 0.59 0.00 -1.71 0.00 0.00 66.02 65.67 2j3w s SER 123 CO -0.02 -0.26 1.74 -1.28 1.20 0.00 0.00 173.24 174.61 2j3w h SER 124 N 8.23 0.43 -0.02 5.45 0.87 -2.00 0.95 113.55 127.46 2j3w h SER 124 Ca -0.16 0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 2j3w h SER 124 Cb 1.12 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2j3w h SER 124 CO 0.17 0.13 -0.11 0.00 -0.53 0.00 0.00 176.83 176.49 2j3w h ALA 125 N 1.61 1.48 -0.01 6.23 0.00 -1.99 -1.01 119.26 125.56 2j3w h ALA 125 Ca 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2j3w h ALA 125 Cb 0.79 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2j3w h ALA 125 CO -0.42 0.37 -0.01 0.35 0.00 0.00 0.00 179.25 179.53 2j3w h PHE 126 N 0.27 0.04 -0.33 0.00 3.57 -1.27 -2.59 116.94 116.62 2j3w h PHE 126 Ca 0.06 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.59 2j3w h PHE 126 Cb 0.37 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 2j3w h PHE 126 CO 0.01 0.51 0.06 -0.44 -2.23 0.00 0.00 178.31 176.22 2j3w h ASP 127 N -0.45 0.01 -0.55 0.41 3.32 -1.06 -1.99 116.42 116.10 2j3w h ASP 127 Ca 0.00 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.16 2j3w h ASP 127 Cb 0.51 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.08 2j3w h ASP 127 CO 0.00 0.04 0.27 0.03 -1.72 0.00 0.00 179.24 177.86 2j3w h ARG 128 N 0.18 0.50 -0.49 3.56 3.08 -1.23 -1.31 114.38 118.67 2j3w h ARG 128 Ca 0.16 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.06 2j3w h ARG 128 Cb 0.18 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2j3w h ARG 128 CO -0.21 0.33 -0.15 0.87 -1.07 0.00 0.00 179.97 179.74 2j3w h LYS 129 N 0.52 0.93 -0.56 0.04 1.57 -1.22 -2.12 116.57 115.72 2j3w h LYS 129 Ca 0.25 -0.35 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 2j3w h LYS 129 Cb 0.18 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2j3w h LYS 129 CO -0.19 1.01 0.00 0.28 -0.57 0.00 0.00 179.45 179.99 2j3w h VAL 130 N 0.82 1.26 -0.68 0.50 2.07 -1.13 -0.83 116.25 118.26 2j3w h VAL 130 Ca 0.12 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.56 2j3w h VAL 130 Cb 0.69 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 2j3w h VAL 130 CO 0.05 0.40 0.42 -0.61 0.02 0.00 0.00 177.57 177.85 2j3w h GLN 131 N 0.87 0.79 -0.64 1.57 5.75 -1.14 0.10 115.11 122.41 2j3w h GLN 131 Ca 0.16 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.59 2j3w h GLN 131 Cb 0.54 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 2j3w h GLN 131 CO 0.03 0.53 0.32 0.35 -2.65 0.00 0.00 178.83 177.40 2j3w h PHE 132 N 0.82 0.90 -0.28 3.99 3.04 -1.03 -1.94 116.94 122.44 2j3w h PHE 132 Ca 0.28 -0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.10 2j3w h PHE 132 Cb 0.04 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.25 2j3w h PHE 132 CO -0.05 0.65 -0.24 -0.07 -2.02 0.00 0.00 178.31 176.58 2j3w h LEU 133 N 0.91 0.54 -0.00 0.59 3.38 0.24 -0.82 115.31 120.15 2j3w h LEU 133 Ca 0.22 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2j3w h LEU 133 Cb 0.08 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2j3w h LEU 133 CO -0.03 0.78 0.00 1.23 0.09 0.00 0.00 178.44 180.51 2j3w h GLY 134 N 1.01 0.00 0.64 0.83 0.00 -0.15 -0.18 103.07 105.22 2j3w h GLY 134 Ca 0.07 -0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.45 2j3w h GLY 134 CO 0.05 0.00 0.16 0.50 0.00 0.00 0.00 176.54 177.25 2j3w h LYS 135 N -0.05 0.33 -0.40 4.80 1.79 -1.16 0.34 116.57 122.22 2j3w h LYS 135 Ca 0.00 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 2j3w h LYS 135 Cb 0.05 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 2j3w h LYS 135 CO -0.00 0.22 -0.05 -0.22 -1.08 0.00 0.00 179.45 178.32 2j3w h LYS 136 N 0.34 0.67 0.00 3.15 3.64 -0.91 -3.38 116.57 120.08 2j3w h LYS 136 Ca 0.20 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 2j3w h LYS 136 Cb 0.18 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2j3w h LYS 136 CO -0.19 0.72 -1.42 0.72 -2.27 0.00 0.00 179.45 177.02 2j3w n HIS 137 N -4.21 0.00 -0.06 1.91 8.25 -0.10 -4.93 115.22 116.08 2j3w n HIS 137 Ca 0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.44 2j3w n HIS 137 Cb 0.31 -0.28 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 2j3w n HIS 137 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2j3w h LEU 138 N 0.00 0.00 -8.82 2.41 3.38 -0.47 -3.43 115.31 108.38 2j3w h LEU 138 Ca -0.16 -0.07 -0.57 0.00 0.09 0.00 0.00 57.88 57.17 2j3w h LEU 138 Cb 1.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 2j3w h LEU 138 CO -0.02 0.68 1.27 -0.76 0.09 0.00 0.00 178.44 179.70 2j3w s LEU 139 N -8.36 3.49 0.00 1.67 1.43 -0.87 -5.04 118.68 111.00 2j3w s LEU 139 Ca -0.09 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 2j3w s LEU 139 Cb 0.01 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.83 2j3w s LEU 139 CO 0.16 -1.77 0.18 -1.54 0.23 0.00 0.00 176.35 173.61