#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jw0 h SER 3 N 0.00 -0.09 -1.02 0.00 0.02 -2.00 -2.34 113.55 108.12 3jw0 h SER 3 Ca 0.00 0.00 0.25 0.00 -0.84 0.00 0.00 61.79 61.20 3jw0 h SER 3 Cb 0.00 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.47 3jw0 h SER 3 CO 0.00 -0.06 0.65 0.11 -1.14 0.00 0.00 176.83 176.39 3jw0 h LYS 4 N -0.12 0.44 -0.96 3.45 1.57 -2.03 0.17 116.57 119.09 3jw0 h LYS 4 Ca -0.01 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3jw0 h LYS 4 Cb 0.08 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 3jw0 h LYS 4 CO 0.02 0.29 0.63 -0.09 -0.57 0.00 0.00 179.45 179.72 3jw0 h ARG 5 N 0.45 1.20 -0.03 3.15 9.65 -1.99 -2.52 114.38 124.29 3jw0 h ARG 5 Ca 0.58 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 59.35 3jw0 h ARG 5 Cb 1.38 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 3jw0 h ARG 5 CO -0.31 0.79 -0.14 0.82 2.80 0.00 0.00 179.97 183.93 3jw0 h ILE 6 N 1.24 1.48 0.33 1.20 2.04 -0.11 -2.84 117.51 120.85 3jw0 h ILE 6 Ca 0.37 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 3jw0 h ILE 6 Cb -0.05 2.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 3jw0 h ILE 6 CO -0.11 0.44 -0.35 0.45 0.00 0.00 0.00 178.15 178.59 3jw0 h HIS 7 N -0.43 -0.97 -0.86 1.37 3.86 -1.44 0.17 115.15 116.86 3jw0 h HIS 7 Ca -0.01 0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.38 3jw0 h HIS 7 Cb 0.79 0.38 -0.16 0.00 1.06 0.00 0.00 27.41 29.48 3jw0 h HIS 7 CO 0.14 -0.46 -0.21 -0.22 0.86 0.00 0.00 177.93 178.04 3jw0 h LYS 8 N -0.68 0.00 0.00 2.45 3.64 -1.58 1.24 116.57 121.64 3jw0 h LYS 8 Ca -0.04 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3jw0 h LYS 8 Cb 0.60 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3jw0 h LYS 8 CO -0.05 0.00 -0.11 1.49 -2.27 0.00 0.00 179.45 178.51 3jw0 h GLU 9 N 0.00 0.00 0.17 1.90 4.81 -1.21 -1.25 114.58 119.00 3jw0 h GLU 9 Ca 0.41 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 3jw0 h GLU 9 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3jw0 h GLU 9 CO -0.89 0.11 -0.08 1.25 -0.73 0.00 0.00 179.01 178.67 3jw0 h LEU 10 N 0.00 -0.20 -1.84 1.64 5.85 0.36 -2.94 115.31 118.17 3jw0 h LEU 10 Ca -0.00 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3jw0 h LEU 10 Cb 0.23 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3jw0 h LEU 10 CO 0.01 0.26 -0.04 0.78 -0.34 0.00 0.00 178.44 179.11 3jw0 h ASN 11 N -0.71 0.04 0.51 1.25 2.35 -0.85 0.16 115.58 118.33 3jw0 h ASN 11 Ca -0.02 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3jw0 h ASN 11 Cb 0.50 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 3jw0 h ASN 11 CO 0.04 0.09 -0.12 0.44 -1.65 0.00 0.00 177.43 176.23 3jw0 h ASP 12 N 0.04 0.00 0.60 5.81 3.32 -1.16 -0.45 116.42 124.58 3jw0 h ASP 12 Ca 0.01 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.78 3jw0 h ASP 12 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3jw0 h ASP 12 CO 0.01 0.12 -1.28 -0.07 -1.72 0.00 0.00 179.24 176.29 3jw0 h LEU 13 N 0.00 0.44 -1.70 1.55 3.38 -0.81 -3.26 115.31 114.91 3jw0 h LEU 13 Ca -0.00 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 3jw0 h LEU 13 Cb 0.40 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3jw0 h LEU 13 CO 0.01 1.38 -0.10 0.00 0.09 0.00 0.00 178.44 179.83 3jw0 h ALA 14 N 0.55 1.09 0.07 1.53 0.00 -0.53 -1.60 119.26 120.38 3jw0 h ALA 14 Ca -0.15 -0.09 -0.34 0.00 0.00 0.00 0.00 54.91 54.33 3jw0 h ALA 14 Cb 1.99 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.73 3jw0 h ALA 14 CO 0.20 0.12 -1.93 0.54 0.00 0.00 0.00 179.25 178.18 3jw0 n ARG 15 N -3.34 0.69 -3.29 0.00 1.74 -0.71 -4.71 116.66 107.04 3jw0 n ARG 15 Ca -0.01 0.32 -0.16 0.00 -0.77 0.00 0.00 57.85 57.23 3jw0 n ARG 15 Cb 0.29 -1.68 -0.07 0.00 -1.02 0.00 0.00 32.46 29.98 3jw0 n ARG 15 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3jw0 s ASP 16 N -6.96 0.78 0.89 0.55 -4.77 -1.23 -5.13 116.67 100.79 3jw0 s ASP 16 Ca -0.27 -1.84 -0.11 0.00 -3.30 0.00 0.00 52.55 47.03 3jw0 s ASP 16 Cb 0.07 0.61 0.12 0.00 -1.09 0.00 0.00 42.92 42.64 3jw0 s ASP 16 CO 0.69 -0.21 1.10 -2.84 0.70 0.00 0.00 175.17 174.60 3jw0 s PRO 17 N 1.12 1.31 -0.33 2.11 0.02 -0.60 -4.63 135.00 133.99 3jw0 s PRO 17 Ca 0.21 1.12 -0.25 0.00 0.02 0.00 0.00 61.00 62.10 3jw0 s PRO 17 Cb -0.10 -1.79 0.01 0.00 0.02 0.00 0.00 34.50 32.64 3jw0 s PRO 17 CO -0.06 -2.29 0.88 -1.25 -0.33 0.00 0.00 177.00 173.95 3jw0 s PRO 18 N -4.81 3.92 0.27 5.54 0.04 -1.26 -5.00 135.00 133.70 3jw0 s PRO 18 Ca 0.64 0.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 3jw0 s PRO 18 Cb -0.20 -3.76 -0.14 0.00 0.04 0.00 0.00 34.50 30.44 3jw0 s PRO 18 CO 0.58 -0.82 1.13 0.00 0.04 0.00 0.00 177.00 177.93 3jw0 n ALA 19 N 6.52 0.05 -0.92 8.56 0.00 -1.26 -2.29 120.51 131.16 3jw0 n ALA 19 Ca 0.06 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3jw0 n ALA 19 Cb 0.48 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.84 3jw0 n ALA 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3jw0 n GLN 20 N 1.08 0.00 -3.69 0.00 1.13 -1.26 -4.96 117.38 109.68 3jw0 n GLN 20 Ca 0.10 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.05 3jw0 n GLN 20 Cb 0.31 -2.57 -0.09 0.00 0.11 0.00 0.00 30.24 27.99 3jw0 n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3jw0 s SER 22 N 1.00 2.68 -0.29 0.00 1.04 -1.05 -4.07 113.70 113.00 3jw0 s SER 22 Ca -0.06 -0.73 -0.16 0.00 0.48 0.00 0.00 55.95 55.48 3jw0 s SER 22 Cb -0.06 -0.16 0.14 0.00 0.10 0.00 0.00 66.02 66.05 3jw0 s SER 22 CO -0.09 0.06 0.94 0.00 0.98 0.00 0.00 173.24 175.13 3jw0 s ALA 23 N -1.34 -2.30 0.22 5.32 0.00 -1.26 -0.99 121.76 121.41 3jw0 s ALA 23 Ca 0.10 2.21 -0.23 0.00 0.00 0.00 0.00 51.96 54.04 3jw0 s ALA 23 Cb -0.09 -1.74 0.04 0.00 0.00 0.00 0.00 23.12 21.33 3jw0 s ALA 23 CO 0.05 -0.46 0.75 0.20 0.00 0.00 0.00 175.76 176.30 3jw0 s GLY 24 N 1.58 -0.24 0.36 0.00 0.00 -0.98 -4.96 107.32 103.08 3jw0 s GLY 24 Ca -0.08 -0.00 -0.26 0.00 0.00 0.00 0.00 44.72 44.38 3jw0 s GLY 24 CO -0.16 -0.00 1.08 2.56 0.00 0.00 0.00 173.10 176.59 3jw0 s PRO 25 N -3.73 4.30 0.05 2.90 0.04 -1.26 -1.47 135.00 135.83 3jw0 s PRO 25 Ca 0.09 1.66 0.05 0.00 0.04 0.00 0.00 61.00 62.85 3jw0 s PRO 25 Cb -0.04 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 3jw0 s PRO 25 CO 0.01 -0.05 -0.10 0.08 0.04 0.00 0.00 177.00 176.99 3jw0 s VAL 26 N -1.45 3.41 0.00 -0.36 1.01 -1.23 -4.92 120.40 116.86 3jw0 s VAL 26 Ca 0.53 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3jw0 s VAL 26 Cb -0.27 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.59 3jw0 s VAL 26 CO 0.34 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.32 3jw0 n GLY 27 N 1.20 -1.58 0.14 4.51 0.00 -1.26 -4.33 105.19 103.87 3jw0 n GLY 27 Ca -0.15 -1.29 -0.22 0.00 0.00 0.00 0.00 46.02 44.37 3jw0 n GLY 27 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3jw0 h ASP 28 N 0.00 0.60 -1.05 1.61 3.32 -1.97 -3.47 116.42 115.46 3jw0 h ASP 28 Ca 0.00 -0.88 -0.79 0.00 0.02 0.00 0.00 57.03 55.39 3jw0 h ASP 28 Cb 0.00 -0.20 0.05 0.00 0.22 0.00 0.00 39.33 39.40 3jw0 h ASP 28 CO 0.00 1.74 0.11 -0.67 -1.72 0.00 0.00 179.24 178.70 3jw0 n ASP 29 N -3.58 0.15 -1.03 6.45 -0.08 -1.26 -4.86 116.55 112.34 3jw0 n ASP 29 Ca -0.23 1.16 0.12 0.00 -1.51 0.00 0.00 54.79 54.32 3jw0 n ASP 29 Cb 1.07 -0.94 0.21 0.00 2.34 0.00 0.00 41.12 43.80 3jw0 n ASP 29 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 3jw0 n MET 30 N 1.66 2.37 -0.11 -0.67 2.81 -1.26 -4.04 117.12 117.88 3jw0 n MET 30 Ca 0.20 -2.04 0.06 0.00 -1.81 0.00 0.00 57.70 54.12 3jw0 n MET 30 Cb 0.08 -1.49 0.12 0.00 -0.71 0.00 0.00 33.22 31.23 3jw0 n MET 30 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3jw0 n PHE 31 N 1.31 0.30 -3.56 2.03 3.72 -1.26 -4.85 117.46 115.15 3jw0 n PHE 31 Ca 0.18 -0.28 -0.29 0.00 -0.05 0.00 0.00 57.45 57.01 3jw0 n PHE 31 Cb 0.57 -0.01 -0.15 0.00 -0.94 0.00 0.00 39.48 38.96 3jw0 n PHE 31 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3jw0 s HIS 32 N -1.04 0.63 0.46 1.38 3.76 -1.26 -1.37 115.29 117.87 3jw0 s HIS 32 Ca 0.22 -1.16 0.08 0.00 -0.15 0.00 0.00 55.06 54.05 3jw0 s HIS 32 Cb 0.13 -1.05 0.01 0.00 1.11 0.00 0.00 32.58 32.77 3jw0 s HIS 32 CO 0.17 -0.84 0.46 -1.58 -0.85 0.00 0.00 174.74 172.11 3jw0 s TRP 33 N 1.84 2.35 -0.05 1.40 0.52 -0.28 -3.53 118.94 121.19 3jw0 s TRP 33 Ca 0.11 -0.58 -0.03 0.00 0.02 0.00 0.00 56.10 55.62 3jw0 s TRP 33 Cb -0.17 -2.16 0.02 0.00 -1.15 0.00 0.00 33.47 30.01 3jw0 s TRP 33 CO -0.29 -0.36 0.12 1.14 0.02 0.00 0.00 176.95 177.57 3jw0 s GLN 34 N -4.26 0.11 0.25 4.98 -2.07 -0.54 -1.20 119.66 116.93 3jw0 s GLN 34 Ca 0.48 0.22 0.10 0.00 -1.82 0.00 0.00 55.36 54.33 3jw0 s GLN 34 Cb -0.04 -0.02 -0.05 0.00 -1.09 0.00 0.00 33.01 31.81 3jw0 s GLN 34 CO 0.29 -0.06 -0.16 0.00 -1.32 0.00 0.00 175.29 174.03 3jw0 s ALA 35 N 0.40 2.39 -0.01 2.60 0.00 0.11 -2.33 121.76 124.93 3jw0 s ALA 35 Ca -0.03 -1.79 0.05 0.00 0.00 0.00 0.00 51.96 50.19 3jw0 s ALA 35 Cb -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 3jw0 s ALA 35 CO -0.02 0.15 -0.17 0.95 0.00 0.00 0.00 175.76 176.68 3jw0 s THR 36 N -2.76 1.31 -0.02 0.00 -4.23 -0.16 0.15 115.64 109.93 3jw0 s THR 36 Ca 0.27 -0.71 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 3jw0 s THR 36 Cb -0.02 -1.09 0.01 0.00 1.34 0.00 0.00 72.50 72.73 3jw0 s THR 36 CO 0.11 0.37 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.88 3jw0 s ILE 37 N -0.39 0.49 -0.15 2.99 1.01 -0.26 -2.54 121.20 122.34 3jw0 s ILE 37 Ca 0.06 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.41 3jw0 s ILE 37 Cb -0.06 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.91 3jw0 s ILE 37 CO -0.01 0.17 0.19 -0.04 0.00 0.00 0.00 174.94 175.25 3jw0 s MET 38 N 0.28 3.98 -0.33 2.79 -1.94 -0.41 -0.81 119.30 122.86 3jw0 s MET 38 Ca -0.03 -0.07 -0.40 0.00 -1.71 0.00 0.00 55.69 53.48 3jw0 s MET 38 Cb -0.07 -3.34 -0.15 0.00 2.01 0.00 0.00 34.83 33.27 3jw0 s MET 38 CO -0.00 0.45 1.87 0.41 -0.01 0.00 0.00 175.02 177.73 3jw0 n GLY 39 N 2.93 0.67 3.50 -0.03 0.00 -1.00 -4.80 105.19 106.46 3jw0 n GLY 39 Ca -0.16 0.95 -0.47 0.00 0.00 0.00 0.00 46.02 46.34 3jw0 n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3jw0 n PRO 40 N 6.10 0.66 -1.86 1.61 -0.02 -1.26 -4.41 135.00 135.82 3jw0 n PRO 40 Ca 0.32 0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 3jw0 n PRO 40 Cb 0.12 -1.47 -0.01 0.00 -0.02 0.00 0.00 33.50 32.13 3jw0 n PRO 40 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3jw0 s ASN 41 N -0.64 6.43 -1.32 2.55 0.02 -1.26 -2.74 114.94 117.97 3jw0 s ASN 41 Ca 0.65 2.97 -0.08 0.00 -1.02 0.00 0.00 52.86 55.37 3jw0 s ASN 41 Cb -0.85 -2.66 0.01 0.00 0.02 0.00 0.00 41.25 37.77 3jw0 s ASN 41 CO 0.57 -0.82 1.12 0.47 0.02 0.00 0.00 177.10 178.46 3jw0 n ASP 42 N 0.80 -6.24 -4.52 -1.22 8.00 -1.26 -5.01 116.55 107.10 3jw0 n ASP 42 Ca 0.02 -0.51 -0.25 0.00 0.71 0.00 0.00 54.79 54.77 3jw0 n ASP 42 Cb 0.39 -4.87 -0.11 0.00 -0.02 0.00 0.00 41.12 36.51 3jw0 n ASP 42 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3jw0 s SER 43 N -3.27 3.32 0.16 -2.24 1.04 -1.11 -5.00 113.70 106.60 3jw0 s SER 43 Ca 0.55 -1.27 0.17 0.00 0.48 0.00 0.00 55.95 55.88 3jw0 s SER 43 Cb -0.24 -0.28 0.76 0.00 0.10 0.00 0.00 66.02 66.36 3jw0 s SER 43 CO 0.68 -0.37 1.51 -0.81 0.98 0.00 0.00 173.24 175.23 3jw0 n PRO 44 N -0.78 0.10 -0.58 4.02 -0.04 -1.26 -1.69 135.00 134.78 3jw0 n PRO 44 Ca -0.05 0.45 0.04 0.00 -0.04 0.00 0.00 63.50 63.90 3jw0 n PRO 44 Cb 0.65 -1.74 0.25 0.00 -0.04 0.00 0.00 33.50 32.63 3jw0 n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3jw0 n TYR 45 N -1.93 1.35 -1.75 0.54 4.02 -1.26 -3.89 117.16 114.23 3jw0 n TYR 45 Ca 0.01 -0.49 -0.41 0.00 -0.01 0.00 0.00 57.90 57.00 3jw0 n TYR 45 Cb 0.13 -0.38 -0.00 0.00 -0.02 0.00 0.00 39.34 39.07 3jw0 n TYR 45 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 3jw0 n GLN 46 N 0.37 2.53 0.00 -0.72 7.27 -0.68 -2.44 117.38 123.71 3jw0 n GLN 46 Ca 0.18 0.89 0.00 0.00 0.07 0.00 0.00 57.00 58.14 3jw0 n GLN 46 Cb 0.87 -2.58 0.00 0.00 2.41 0.00 0.00 30.24 30.94 3jw0 n GLN 46 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3jw0 n GLY 47 N 0.57 2.68 3.74 1.69 0.00 -1.26 -4.98 105.19 107.63 3jw0 n GLY 47 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3jw0 n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jw0 s GLY 48 N -0.44 1.58 -0.17 -0.02 0.00 -1.02 -4.91 107.32 102.34 3jw0 s GLY 48 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 44.72 44.27 3jw0 s GLY 48 CO 0.00 0.16 0.23 0.14 0.00 0.00 0.00 173.10 173.63 3jw0 s VAL 49 N -3.11 -0.35 0.04 1.40 1.01 -0.70 -2.38 120.40 116.31 3jw0 s VAL 49 Ca 0.64 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.68 3jw0 s VAL 49 Cb -0.17 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 3jw0 s VAL 49 CO 0.55 -0.06 0.17 -0.36 0.00 0.00 0.00 175.10 175.40 3jw0 s PHE 50 N 2.35 3.45 -0.04 5.22 0.08 0.01 -4.74 117.98 124.31 3jw0 s PHE 50 Ca 0.05 0.24 0.01 0.00 0.12 0.00 0.00 56.93 57.35 3jw0 s PHE 50 Cb -0.14 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 3jw0 s PHE 50 CO -0.10 0.59 -0.04 -0.06 -0.10 0.00 0.00 175.22 175.51 3jw0 s PHE 51 N -1.43 3.01 0.10 0.36 2.99 -1.26 -1.10 117.98 120.65 3jw0 s PHE 51 Ca 0.32 0.06 0.05 0.00 0.00 0.00 0.00 56.93 57.35 3jw0 s PHE 51 Cb -0.13 -1.69 -0.04 0.00 0.00 0.00 0.00 43.02 41.16 3jw0 s PHE 51 CO 0.24 0.40 -0.13 -0.51 -0.00 0.00 0.00 175.22 175.22 3jw0 s LEU 52 N -1.14 2.38 -0.03 -0.37 1.02 0.39 -0.52 118.68 120.40 3jw0 s LEU 52 Ca 0.15 -0.77 0.02 0.00 0.02 0.00 0.00 54.13 53.55 3jw0 s LEU 52 Cb -0.11 -0.46 -0.03 0.00 0.02 0.00 0.00 46.19 45.60 3jw0 s LEU 52 CO 0.05 -0.17 -0.05 0.42 0.02 0.00 0.00 176.35 176.63 3jw0 s THR 53 N -2.04 3.83 -0.34 5.49 -4.23 0.23 0.09 115.64 118.68 3jw0 s THR 53 Ca 0.05 -0.59 -0.00 0.00 -1.18 0.00 0.00 61.69 59.97 3jw0 s THR 53 Cb -0.05 -2.64 0.11 0.00 1.34 0.00 0.00 72.50 71.25 3jw0 s THR 53 CO 0.02 0.48 0.13 -0.63 -0.54 0.00 0.00 174.62 174.07 3jw0 s ILE 54 N -0.94 0.98 -0.27 2.99 1.01 -0.34 -1.81 121.20 122.82 3jw0 s ILE 54 Ca 0.16 -1.64 -0.14 0.00 0.00 0.00 0.00 60.65 59.03 3jw0 s ILE 54 Cb -0.11 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 3jw0 s ILE 54 CO 0.06 -0.73 0.31 -2.28 0.00 0.00 0.00 174.94 172.30 3jw0 s HIS 55 N 1.35 3.24 -0.25 3.97 2.46 -0.31 -1.13 115.29 124.63 3jw0 s HIS 55 Ca 0.12 0.32 -0.16 0.00 0.47 0.00 0.00 55.06 55.81 3jw0 s HIS 55 Cb -0.19 -2.51 -0.03 0.00 -0.13 0.00 0.00 32.58 29.72 3jw0 s HIS 55 CO -0.19 -0.20 0.43 -0.06 -2.47 0.00 0.00 174.74 172.25 3jw0 s PHE 56 N 1.94 3.28 0.69 3.88 0.40 -0.47 -0.68 117.98 127.02 3jw0 s PHE 56 Ca 0.13 0.53 -0.12 0.00 -0.60 0.00 0.00 56.93 56.87 3jw0 s PHE 56 Cb -0.16 -2.61 0.01 0.00 0.51 0.00 0.00 43.02 40.77 3jw0 s PHE 56 CO 0.10 -0.20 1.07 -1.25 0.70 0.00 0.00 175.22 175.65 3jw0 s PRO 57 N 1.98 2.82 0.00 0.24 0.04 -1.26 -4.83 135.00 134.00 3jw0 s PRO 57 Ca 0.18 1.12 0.12 0.00 0.04 0.00 0.00 61.00 62.46 3jw0 s PRO 57 Cb -0.15 -1.97 0.63 0.00 0.04 0.00 0.00 34.50 33.05 3jw0 s PRO 57 CO 0.09 -1.20 1.23 0.25 0.04 0.00 0.00 177.00 177.42 3jw0 n THR 58 N -2.90 0.46 -0.68 1.26 -2.24 -1.26 -1.66 114.28 107.27 3jw0 n THR 58 Ca 0.09 0.11 0.09 0.00 -2.27 0.00 0.00 64.05 62.07 3jw0 n THR 58 Cb 0.53 -0.92 0.36 0.00 -2.10 0.00 0.00 70.33 68.19 3jw0 n THR 58 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jw0 n ASP 59 N -1.19 4.84 -4.78 3.42 10.43 -1.26 -4.95 116.55 123.06 3jw0 n ASP 59 Ca 0.07 -2.54 -0.37 0.00 2.57 0.00 0.00 54.79 54.52 3jw0 n ASP 59 Cb 0.07 -0.59 -0.05 0.00 1.84 0.00 0.00 41.12 42.40 3jw0 n ASP 59 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 3jw0 s TYR 60 N -2.01 3.42 -0.60 1.24 5.04 -0.66 -0.52 117.35 123.25 3jw0 s TYR 60 Ca 0.51 1.69 0.13 0.00 -2.44 0.00 0.00 57.07 56.95 3jw0 s TYR 60 Cb 0.34 -3.07 0.68 0.00 0.35 0.00 0.00 41.96 40.27 3jw0 s TYR 60 CO 0.22 -0.36 1.56 -0.35 -1.34 0.00 0.00 175.55 175.28 3jw0 n PRO 61 N 0.18 4.08 0.26 4.97 -0.04 -1.26 -4.48 135.00 138.72 3jw0 n PRO 61 Ca 0.04 -2.64 0.13 0.00 -0.04 0.00 0.00 63.50 60.98 3jw0 n PRO 61 Cb 0.50 -2.06 0.71 0.00 -0.04 0.00 0.00 33.50 32.60 3jw0 n PRO 61 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3jw0 h PHE 62 N 3.47 0.00 -4.29 0.54 0.05 -1.20 -3.38 116.94 112.14 3jw0 h PHE 62 Ca 0.00 0.00 -0.70 0.00 3.82 0.00 0.00 57.97 61.09 3jw0 h PHE 62 Cb 1.64 0.00 -0.26 0.00 2.00 0.00 0.00 35.95 39.33 3jw0 h PHE 62 CO 0.87 0.13 -0.88 0.15 -0.18 0.00 0.00 178.31 178.40 3jw0 s LYS 63 N -4.10 1.82 0.70 1.51 -0.14 -0.57 -4.91 119.74 114.05 3jw0 s LYS 63 Ca -0.02 -1.10 -0.14 0.00 -1.36 0.00 0.00 55.97 53.34 3jw0 s LYS 63 Cb 0.13 -1.99 0.02 0.00 -1.68 0.00 0.00 37.83 34.30 3jw0 s LYS 63 CO 0.58 0.51 1.14 -1.25 -0.76 0.00 0.00 175.35 175.58 3jw0 s PRO 64 N -1.24 2.50 0.45 -1.68 0.04 -1.26 -4.35 135.00 129.46 3jw0 s PRO 64 Ca 0.12 1.49 -0.21 0.00 0.04 0.00 0.00 61.00 62.43 3jw0 s PRO 64 Cb -0.10 -1.90 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 3jw0 s PRO 64 CO 0.02 -1.50 1.01 -1.25 0.04 0.00 0.00 177.00 175.32 3jw0 s PRO 65 N -4.12 4.00 -0.28 0.56 0.04 -1.26 -4.71 135.00 129.23 3jw0 s PRO 65 Ca 0.69 1.32 -0.22 0.00 0.04 0.00 0.00 61.00 62.83 3jw0 s PRO 65 Cb -0.23 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 3jw0 s PRO 65 CO 0.44 -0.26 0.71 0.15 0.04 0.00 0.00 177.00 178.09 3jw0 s LYS 66 N -3.06 4.04 -0.12 4.56 1.02 0.14 -4.95 119.74 121.38 3jw0 s LYS 66 Ca 0.64 0.59 0.02 0.00 0.02 0.00 0.00 55.97 57.24 3jw0 s LYS 66 Cb -0.15 -3.69 -0.00 0.00 -0.52 0.00 0.00 37.83 33.47 3jw0 s LYS 66 CO 0.19 -0.54 -0.19 0.08 -0.92 0.00 0.00 175.35 173.98 3jw0 s VAL 67 N 2.72 2.48 0.03 3.17 1.01 -1.26 -1.16 120.40 127.39 3jw0 s VAL 67 Ca 0.29 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 3jw0 s VAL 67 Cb -0.15 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 3jw0 s VAL 67 CO 0.10 0.54 0.08 0.00 0.00 0.00 0.00 175.10 175.82 3jw0 s ALA 68 N 0.42 -0.05 -0.01 5.51 0.00 -0.75 -4.29 121.76 122.59 3jw0 s ALA 68 Ca -0.14 -0.53 -0.22 0.00 0.00 0.00 0.00 51.96 51.06 3jw0 s ALA 68 Cb -0.17 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 3jw0 s ALA 68 CO 0.06 -0.29 0.66 -0.06 0.00 0.00 0.00 175.76 176.13 3jw0 s PHE 69 N -2.38 3.67 -0.19 0.00 0.08 -0.25 -0.60 117.98 118.31 3jw0 s PHE 69 Ca -0.07 1.28 0.15 0.00 0.12 0.00 0.00 56.93 58.40 3jw0 s PHE 69 Cb -0.03 -2.70 -0.24 0.00 -0.57 0.00 0.00 43.02 39.48 3jw0 s PHE 69 CO -0.04 0.27 0.09 0.25 -0.10 0.00 0.00 175.22 175.69 3jw0 n THR 70 N 2.99 1.43 -2.76 0.64 -2.24 0.32 -3.89 114.28 110.77 3jw0 n THR 70 Ca -0.04 -0.81 -0.42 0.00 -2.27 0.00 0.00 64.05 60.51 3jw0 n THR 70 Cb 0.51 -0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 3jw0 n THR 70 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3jw0 s THR 71 N -2.51 4.81 0.18 4.28 2.01 -1.18 -4.99 115.64 118.23 3jw0 s THR 71 Ca -0.13 1.89 -0.33 0.00 0.31 0.00 0.00 61.69 63.42 3jw0 s THR 71 Cb 0.07 -4.25 -0.15 0.00 0.01 0.00 0.00 72.50 68.18 3jw0 s THR 71 CO 0.80 -0.01 1.33 0.54 -0.69 0.00 0.00 174.62 176.58 3jw0 n ARG 72 N 5.26 1.57 -3.82 4.92 5.12 -1.26 -4.85 116.66 123.60 3jw0 n ARG 72 Ca 0.08 0.56 -0.12 0.00 -1.93 0.00 0.00 57.85 56.43 3jw0 n ARG 72 Cb 0.48 -2.17 -0.12 0.00 -1.16 0.00 0.00 32.46 29.49 3jw0 n ARG 72 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 3jw0 s ILE 73 N 0.13 0.00 -0.64 0.55 2.07 -1.26 -4.59 121.20 117.46 3jw0 s ILE 73 Ca 0.74 -0.02 -0.15 0.00 -1.41 0.00 0.00 60.65 59.81 3jw0 s ILE 73 Cb -0.78 -0.24 0.16 0.00 0.13 0.00 0.00 42.46 41.73 3jw0 s ILE 73 CO 0.48 -0.01 0.59 -0.47 -1.91 0.00 0.00 174.94 173.62 3jw0 s TYR 74 N 0.04 3.44 0.06 3.50 6.14 -1.26 -4.88 117.35 124.38 3jw0 s TYR 74 Ca -0.00 -1.56 -0.02 0.00 0.64 0.00 0.00 57.07 56.13 3jw0 s TYR 74 Cb -0.01 -3.80 -0.04 0.00 0.42 0.00 0.00 41.96 38.53 3jw0 s TYR 74 CO 0.00 -1.01 0.00 -1.58 0.64 0.00 0.00 175.55 173.60 3jw0 s HIS 75 N 1.08 0.49 0.04 4.97 2.46 -1.26 -4.73 115.29 118.33 3jw0 s HIS 75 Ca 0.08 -1.02 0.15 0.00 0.47 0.00 0.00 55.06 54.75 3jw0 s HIS 75 Cb -0.23 -0.35 0.28 0.00 -0.13 0.00 0.00 32.58 32.15 3jw0 s HIS 75 CO -0.01 -0.41 1.54 -1.35 -2.47 0.00 0.00 174.74 172.04 3jw0 h PRO 76 N 3.09 0.00 -0.30 2.88 0.11 -1.89 -3.31 132.00 132.58 3jw0 h PRO 76 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3jw0 h PRO 76 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3jw0 h PRO 76 CO 0.65 0.54 0.00 0.09 -0.21 0.00 0.00 178.00 179.06 3jw0 n ASN 77 N -3.40 3.88 -3.80 -2.05 4.13 -1.26 -1.20 115.26 111.57 3jw0 n ASN 77 Ca 0.01 -2.85 -0.25 0.00 1.68 0.00 0.00 54.58 53.16 3jw0 n ASN 77 Cb 0.67 -0.51 -0.17 0.00 -1.54 0.00 0.00 39.78 38.23 3jw0 n ASN 77 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3jw0 s ILE 78 N -2.54 0.57 0.00 2.41 1.01 -1.25 -1.29 121.20 120.12 3jw0 s ILE 78 Ca 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.91 3jw0 s ILE 78 Cb 0.31 -0.78 0.00 0.00 0.01 0.00 0.00 42.46 42.01 3jw0 s ILE 78 CO 0.11 0.17 0.00 -0.46 0.00 0.00 0.00 174.94 174.76 3jw0 n ASN 79 N 5.07 0.00 0.10 3.58 0.23 -1.15 -4.34 115.26 118.75 3jw0 n ASN 79 Ca -0.09 -0.85 0.02 0.00 -0.53 0.00 0.00 54.58 53.13 3jw0 n ASN 79 Cb 0.49 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.56 3jw0 n ASN 79 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3jw0 h SER 80 N 0.00 0.26 1.39 0.53 4.64 -1.93 -1.98 113.55 116.46 3jw0 h SER 80 Ca 0.00 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 3jw0 h SER 80 Cb 0.00 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3jw0 h SER 80 CO 0.00 0.42 -0.17 0.78 -0.87 0.00 0.00 176.83 176.99 3jw0 h ASN 81 N 0.26 0.00 0.00 4.97 2.35 -1.94 -3.47 115.58 117.76 3jw0 h ASN 81 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3jw0 h ASN 81 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3jw0 h ASN 81 CO 0.02 0.17 0.00 0.61 -1.65 0.00 0.00 177.43 176.58 3jw0 n GLY 82 N 0.64 1.00 3.69 2.83 0.00 -0.75 -4.57 105.19 108.04 3jw0 n GLY 82 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3jw0 n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jw0 s SER 83 N -2.00 6.75 -0.23 1.61 0.01 -1.26 -1.09 113.70 117.48 3jw0 s SER 83 Ca 0.00 2.26 -0.13 0.00 1.31 0.00 0.00 55.95 59.39 3jw0 s SER 83 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 3jw0 s SER 83 CO 0.00 -0.79 0.29 -0.63 0.41 0.00 0.00 173.24 172.52 3jw0 s ILE 84 N 2.57 5.26 -1.20 1.44 1.01 -1.26 -2.95 121.20 126.08 3jw0 s ILE 84 Ca 0.68 0.46 -0.14 0.00 0.00 0.00 0.00 60.65 61.65 3jw0 s ILE 84 Cb -0.35 -3.63 0.17 0.00 0.01 0.00 0.00 42.46 38.67 3jw0 s ILE 84 CO 0.29 0.27 1.41 -0.55 0.00 0.00 0.00 174.94 176.36 3jw0 s SER 85 N 1.20 7.07 -0.03 3.58 0.15 -0.41 -4.93 113.70 120.33 3jw0 s SER 85 Ca 0.13 -3.00 0.07 0.00 0.70 0.00 0.00 55.95 53.86 3jw0 s SER 85 Cb -0.15 -2.39 -0.02 0.00 -1.71 0.00 0.00 66.02 61.75 3jw0 s SER 85 CO 0.07 -0.74 -0.24 -0.22 1.20 0.00 0.00 173.24 173.31 3jw0 s LEU 86 N 1.50 2.04 0.11 3.45 2.96 -1.26 -4.97 118.68 122.51 3jw0 s LEU 86 Ca 0.42 -0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 53.73 3jw0 s LEU 86 Cb -0.03 -1.27 -0.07 0.00 0.50 0.00 0.00 46.19 45.32 3jw0 s LEU 86 CO -0.00 0.28 1.45 -2.24 -1.32 0.00 0.00 176.35 174.52 3jw0 h ASP 87 N 5.68 0.76 0.00 3.68 2.03 -2.01 -3.01 116.42 123.55 3jw0 h ASP 87 Ca -0.39 -0.44 0.00 0.00 -0.73 0.00 0.00 57.03 55.47 3jw0 h ASP 87 Cb 1.14 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.43 3jw0 h ASP 87 CO 0.47 1.03 0.00 2.30 -1.03 0.00 0.00 179.24 182.02 3jw0 n ILE 88 N -4.29 0.00 0.74 4.15 -5.35 -1.26 -1.23 119.36 112.12 3jw0 n ILE 88 Ca -0.03 0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.53 3jw0 n ILE 88 Cb 0.44 -0.38 -0.02 0.00 -1.74 0.00 0.00 39.64 37.93 3jw0 n ILE 88 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3jw0 n LEU 89 N -0.61 1.45 0.00 7.28 4.77 -1.14 -3.48 117.00 125.27 3jw0 n LEU 89 Ca 0.03 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 3jw0 n LEU 89 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3jw0 n LEU 89 CO 0.02 0.29 0.00 0.54 -1.33 0.00 0.00 177.39 176.91 3jw0 n ARG 90 N -0.41 0.00 0.17 3.23 1.74 -0.47 -4.79 116.66 116.14 3jw0 n ARG 90 Ca 0.06 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.18 3jw0 n ARG 90 Cb 0.33 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.01 3jw0 n ARG 90 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3jw0 h SER 91 N 0.00 0.00 -0.02 0.55 4.64 -1.87 -3.32 113.55 113.53 3jw0 h SER 91 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3jw0 h SER 91 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3jw0 h SER 91 CO 0.00 0.43 -0.37 0.00 -0.87 0.00 0.00 176.83 176.02 3jw0 n GLN 92 N -3.45 1.46 -1.63 4.77 1.13 -0.37 -5.00 117.38 114.30 3jw0 n GLN 92 Ca 0.00 -1.09 -0.38 0.00 -1.94 0.00 0.00 57.00 53.60 3jw0 n GLN 92 Cb 0.58 -1.42 0.05 0.00 0.11 0.00 0.00 30.24 29.56 3jw0 n GLN 92 CO 0.00 0.00 0.00 1.87 -1.44 0.00 0.00 177.06 177.49 3jw0 n TRP 93 N 0.15 0.97 -3.75 1.08 -0.00 -1.23 -4.74 117.44 109.93 3jw0 n TRP 93 Ca 0.09 0.44 -0.12 0.00 -0.00 0.00 0.00 57.50 57.91 3jw0 n TRP 93 Cb 0.45 -2.16 -0.12 0.00 -0.00 0.00 0.00 31.31 29.48 3jw0 n TRP 93 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 3jw0 s SER 94 N -1.21 -0.32 0.62 5.87 0.15 -1.26 -5.03 113.70 112.52 3jw0 s SER 94 Ca 0.75 0.61 0.25 0.00 0.70 0.00 0.00 55.95 58.26 3jw0 s SER 94 Cb -0.42 0.56 1.17 0.00 -1.71 0.00 0.00 66.02 65.62 3jw0 s SER 94 CO 0.47 -0.13 1.62 1.55 1.20 0.00 0.00 173.24 177.95 3jw0 h PRO 95 N 6.38 0.00 -0.25 5.44 0.13 -1.91 -0.40 132.00 141.39 3jw0 h PRO 95 Ca -0.32 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.63 3jw0 h PRO 95 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3jw0 h PRO 95 CO 0.34 0.00 -0.57 0.00 -0.23 0.00 0.00 178.00 177.54 3jw0 h ALA 96 N 0.99 0.53 -1.78 -0.56 0.00 -1.96 -3.46 119.26 113.01 3jw0 h ALA 96 Ca 0.24 -0.52 -0.63 0.00 0.00 0.00 0.00 54.91 54.00 3jw0 h ALA 96 Cb 1.72 -0.08 0.10 0.00 0.00 0.00 0.00 17.79 19.53 3jw0 h ALA 96 CO -0.00 0.69 0.14 1.28 0.00 0.00 0.00 179.25 181.35 3jw0 n LEU 97 N -3.98 1.41 -4.78 0.00 4.77 -0.16 -5.00 117.00 109.25 3jw0 n LEU 97 Ca -0.04 1.16 -0.28 0.00 -0.03 0.00 0.00 56.01 56.82 3jw0 n LEU 97 Cb 0.63 -1.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.44 3jw0 n LEU 97 CO 0.50 -1.49 -0.24 -1.59 -1.33 0.00 0.00 177.39 173.24 3jw0 s LYS 98 N -0.94 2.86 0.16 3.23 -2.85 -1.26 -5.00 119.74 115.93 3jw0 s LYS 98 Ca 0.66 -0.83 -0.16 0.00 -1.00 0.00 0.00 55.97 54.64 3jw0 s LYS 98 Cb -0.79 -2.65 0.07 0.00 -2.06 0.00 0.00 37.83 32.40 3jw0 s LYS 98 CO 0.56 0.51 1.73 0.82 0.10 0.00 0.00 175.35 179.07 3jw0 h ILE 99 N 2.24 0.82 -0.96 3.79 1.08 -1.94 -1.90 117.51 120.64 3jw0 h ILE 99 Ca -0.47 -0.07 0.16 0.00 -0.39 0.00 0.00 64.86 64.09 3jw0 h ILE 99 Cb 1.19 0.61 -0.16 0.00 -3.07 0.00 0.00 36.82 35.39 3jw0 h ILE 99 CO 0.64 0.04 -0.33 -1.20 -0.69 0.00 0.00 178.15 176.60 3jw0 n SER 100 N -5.09 -0.54 0.28 1.72 7.64 -1.26 0.35 113.62 116.72 3jw0 n SER 100 Ca 0.01 1.67 0.16 0.00 1.01 0.00 0.00 58.87 61.72 3jw0 n SER 100 Cb 0.16 -0.42 0.80 0.00 -1.01 0.00 0.00 64.21 63.74 3jw0 n SER 100 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3jw0 h LYS 101 N 0.00 0.00 0.07 1.43 3.64 -1.76 0.13 116.57 120.08 3jw0 h LYS 101 Ca 0.37 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.46 3jw0 h LYS 101 Cb 0.61 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 3jw0 h LYS 101 CO -0.96 0.06 -1.56 0.28 -2.27 0.00 0.00 179.45 175.00 3jw0 h VAL 102 N 0.00 1.09 -0.06 2.00 2.07 0.10 -2.64 116.25 118.81 3jw0 h VAL 102 Ca -0.00 -2.81 -0.02 0.00 0.82 0.00 0.00 66.70 64.70 3jw0 h VAL 102 Cb 0.36 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 3jw0 h VAL 102 CO 0.01 0.75 -0.02 -0.07 0.02 0.00 0.00 177.57 178.26 3jw0 h LEU 103 N 0.04 0.13 -1.00 2.57 3.38 -0.50 -2.46 115.31 117.46 3jw0 h LEU 103 Ca -0.24 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.34 3jw0 h LEU 103 Cb 1.98 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 42.65 3jw0 h LEU 103 CO 0.13 0.49 0.64 -0.07 0.09 0.00 0.00 178.44 179.71 3jw0 h LEU 104 N -0.24 1.15 -1.85 1.67 3.38 -1.10 -1.35 115.31 116.97 3jw0 h LEU 104 Ca 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3jw0 h LEU 104 Cb 0.44 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3jw0 h LEU 104 CO 0.01 0.85 0.11 0.28 0.09 0.00 0.00 178.44 179.77 3jw0 h SER 105 N 1.35 0.18 0.78 -0.43 0.02 -1.31 -1.19 113.55 112.95 3jw0 h SER 105 Ca 0.36 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.19 3jw0 h SER 105 Cb -0.13 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3jw0 h SER 105 CO -0.08 0.13 -0.57 0.40 -1.14 0.00 0.00 176.83 175.57 3jw0 h ILE 106 N 0.21 1.26 -0.20 3.27 2.04 -0.78 -2.53 117.51 120.78 3jw0 h ILE 106 Ca 0.06 -2.07 -0.04 0.00 1.00 0.00 0.00 64.86 63.81 3jw0 h ILE 106 Cb -0.01 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 3jw0 h ILE 106 CO -0.01 0.56 -0.03 0.00 0.00 0.00 0.00 178.15 178.67 3jw0 h SER 108 N 0.11 -0.72 -0.10 0.00 0.02 -1.26 -0.24 113.55 111.36 3jw0 h SER 108 Ca 0.05 0.15 0.03 0.00 -0.84 0.00 0.00 61.79 61.18 3jw0 h SER 108 Cb 0.45 0.36 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 3jw0 h SER 108 CO 0.02 -0.25 0.09 0.25 -1.14 0.00 0.00 176.83 175.79 3jw0 h LEU 109 N -0.18 0.00 -0.21 5.07 5.85 -1.35 -1.77 115.31 122.71 3jw0 h LEU 109 Ca 0.17 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.73 3jw0 h LEU 109 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3jw0 h LEU 109 CO -0.43 0.00 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.14 3jw0 h LEU 110 N 0.00 0.77 0.00 2.25 3.38 -0.68 -3.03 115.31 118.00 3jw0 h LEU 110 Ca 0.05 -0.56 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 3jw0 h LEU 110 Cb 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3jw0 h LEU 110 CO -0.00 1.18 -1.03 0.00 0.09 0.00 0.00 178.44 178.69 3jw0 s ASP 112 N -5.67 2.30 1.19 0.00 1.01 -0.68 -5.02 116.67 109.81 3jw0 s ASP 112 Ca -0.00 -2.98 -0.18 0.00 0.71 0.00 0.00 52.55 50.09 3jw0 s ASP 112 Cb 0.09 -0.63 0.24 0.00 1.01 0.00 0.00 42.92 43.62 3jw0 s ASP 112 CO 0.78 -0.19 0.50 -2.65 0.21 0.00 0.00 175.17 173.82 3jw0 n PRO 113 N 2.99 -2.96 -3.29 8.23 -0.02 -1.14 -4.47 135.00 134.33 3jw0 n PRO 113 Ca 0.24 -0.87 -0.25 0.00 -2.02 0.00 0.00 63.50 60.60 3jw0 n PRO 113 Cb 0.43 -1.72 -0.07 0.00 -0.02 0.00 0.00 33.50 32.11 3jw0 n PRO 113 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3jw0 n ASN 114 N -3.10 1.99 0.00 2.55 2.85 -1.26 -4.98 115.26 113.31 3jw0 n ASN 114 Ca 0.07 -3.08 0.00 0.00 -0.11 0.00 0.00 54.58 51.46 3jw0 n ASN 114 Cb 0.50 -0.65 0.00 0.00 1.24 0.00 0.00 39.78 40.87 3jw0 n ASN 114 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3jw0 n PRO 115 N 1.08 0.00 -0.01 1.20 -0.04 -1.26 -2.30 135.00 133.67 3jw0 n PRO 115 Ca 0.26 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 64.01 3jw0 n PRO 115 Cb 0.47 -1.55 -0.14 0.00 -0.04 0.00 0.00 33.50 32.25 3jw0 n PRO 115 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3jw0 n ASP 116 N -1.15 0.61 -3.23 3.54 8.00 -1.26 -4.39 116.55 118.67 3jw0 n ASP 116 Ca 0.00 -0.39 -0.25 0.00 0.71 0.00 0.00 54.79 54.86 3jw0 n ASP 116 Cb 0.05 1.55 -0.06 0.00 -0.02 0.00 0.00 41.12 42.63 3jw0 n ASP 116 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3jw0 n ASP 117 N -1.90 2.90 -4.90 -2.24 9.92 -0.97 -5.10 116.55 114.26 3jw0 n ASP 117 Ca -0.01 -3.31 -0.29 0.00 -0.53 0.00 0.00 54.79 50.66 3jw0 n ASP 117 Cb 0.44 -0.63 0.01 0.00 -0.64 0.00 0.00 41.12 40.30 3jw0 n ASP 117 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3jw0 s PRO 118 N -2.47 3.38 -0.14 -0.24 0.04 -1.25 -4.90 135.00 129.42 3jw0 s PRO 118 Ca 0.41 0.35 0.10 0.00 0.04 0.00 0.00 61.00 61.90 3jw0 s PRO 118 Cb 0.21 -2.24 -0.16 0.00 0.04 0.00 0.00 34.50 32.36 3jw0 s PRO 118 CO -0.07 -0.48 0.02 -0.11 0.04 0.00 0.00 177.00 176.40 3jw0 n LEU 119 N -2.54 0.39 -4.07 -3.56 7.94 -0.51 -4.81 117.00 109.84 3jw0 n LEU 119 Ca 0.03 -0.01 -0.33 0.00 -1.11 0.00 0.00 56.01 54.59 3jw0 n LEU 119 Cb 0.55 0.21 -0.14 0.00 0.53 0.00 0.00 43.42 44.57 3jw0 n LEU 119 CO 0.55 0.39 -0.32 -0.69 -1.11 0.00 0.00 177.39 176.21 3jw0 s VAL 120 N -2.32 2.60 0.10 1.96 1.01 -0.34 -4.96 120.40 118.44 3jw0 s VAL 120 Ca -0.09 -2.03 -0.27 0.00 0.00 0.00 0.00 61.98 59.59 3jw0 s VAL 120 Cb 0.04 -2.76 -0.11 0.00 0.00 0.00 0.00 36.38 33.55 3jw0 s VAL 120 CO 0.53 -0.46 1.66 1.55 0.00 0.00 0.00 175.10 178.37 3jw0 h PRO 121 N 7.79 -0.42 -0.61 2.72 0.13 -1.87 -2.58 132.00 137.16 3jw0 h PRO 121 Ca -0.11 0.03 0.12 0.00 -0.87 0.00 0.00 66.00 65.17 3jw0 h PRO 121 Cb 1.04 0.10 -0.10 0.00 0.13 0.00 0.00 31.00 32.16 3jw0 h PRO 121 CO 0.55 -0.28 0.05 0.93 -0.23 0.00 0.00 178.00 179.02 3jw0 h GLU 122 N -0.44 0.16 -0.56 0.86 5.08 -1.98 -1.15 114.58 116.55 3jw0 h GLU 122 Ca 0.01 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3jw0 h GLU 122 Cb 0.43 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3jw0 h GLU 122 CO -0.07 0.10 -0.04 0.82 -1.00 0.00 0.00 179.01 178.82 3jw0 h ILE 123 N 0.16 1.26 -0.08 3.13 2.04 -1.91 -2.99 117.51 119.14 3jw0 h ILE 123 Ca 0.32 -1.17 0.02 0.00 1.00 0.00 0.00 64.86 65.03 3jw0 h ILE 123 Cb 0.51 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3jw0 h ILE 123 CO -0.48 0.42 -0.06 0.00 0.00 0.00 0.00 178.15 178.03 3jw0 h ALA 124 N 1.04 0.01 -0.82 1.87 0.00 -0.83 -0.78 119.26 119.76 3jw0 h ALA 124 Ca 0.16 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.19 3jw0 h ALA 124 Cb 0.58 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3jw0 h ALA 124 CO 0.03 -0.52 0.53 -0.09 0.00 0.00 0.00 179.25 179.20 3jw0 h ARG 125 N -0.06 0.74 0.05 0.00 2.43 -1.31 -1.88 114.38 114.35 3jw0 h ARG 125 Ca 0.05 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3jw0 h ARG 125 Cb 0.14 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3jw0 h ARG 125 CO -0.12 0.49 -0.03 0.82 -1.51 0.00 0.00 179.97 179.63 3jw0 h ILE 126 N 0.77 1.22 0.00 1.20 1.08 -1.22 0.80 117.51 121.35 3jw0 h ILE 126 Ca 0.38 -0.96 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 3jw0 h ILE 126 Cb 0.43 1.85 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 3jw0 h ILE 126 CO -0.15 0.24 0.00 0.00 -0.69 0.00 0.00 178.15 177.55 3jw0 n TYR 127 N -4.92 0.24 -0.13 1.37 4.19 -0.37 -1.11 117.16 116.43 3jw0 n TYR 127 Ca -0.08 0.12 -0.26 0.00 3.31 0.00 0.00 57.90 60.99 3jw0 n TYR 127 Cb 0.23 -0.69 -0.10 0.00 0.49 0.00 0.00 39.34 39.26 3jw0 n TYR 127 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 3jw0 n LYS 128 N -1.75 0.60 -0.07 2.98 5.02 -0.75 -4.55 118.16 119.65 3jw0 n LYS 128 Ca 0.00 0.22 -0.07 0.00 -2.02 0.00 0.00 58.31 56.44 3jw0 n LYS 128 Cb 0.04 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 3jw0 n LYS 128 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3jw0 h THR 129 N -0.70 0.27 -2.55 -0.18 1.35 -0.63 -3.42 112.91 107.06 3jw0 h THR 129 Ca -0.66 -1.29 -0.71 0.00 -0.55 0.00 0.00 66.41 63.20 3jw0 h THR 129 Cb 1.69 0.60 -0.34 0.00 -1.73 0.00 0.00 68.15 68.36 3jw0 h THR 129 CO -0.32 0.09 0.17 0.47 -0.25 0.00 0.00 175.52 175.68 3jw0 n ASP 130 N -4.62 5.31 -0.24 5.36 8.00 -0.27 -4.95 116.55 125.14 3jw0 n ASP 130 Ca -0.10 -3.46 -0.11 0.00 0.71 0.00 0.00 54.79 51.82 3jw0 n ASP 130 Cb 0.30 -0.98 -0.09 0.00 -0.02 0.00 0.00 41.12 40.32 3jw0 n ASP 130 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3jw0 h ARG 131 N 4.72 -0.19 -0.14 -1.24 9.65 -1.78 0.75 114.38 126.15 3jw0 h ARG 131 Ca 0.22 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.15 3jw0 h ARG 131 Cb 0.61 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.23 3jw0 h ARG 131 CO 1.10 -0.13 0.35 0.93 2.80 0.00 0.00 179.97 185.03 3jw0 h GLU 132 N -0.20 0.00 0.22 0.20 5.08 -1.92 -0.39 114.58 117.57 3jw0 h GLU 132 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3jw0 h GLU 132 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3jw0 h GLU 132 CO -0.68 0.00 -0.11 -0.22 -1.00 0.00 0.00 179.01 177.00 3jw0 h LYS 133 N 0.00 -0.29 -0.97 2.33 1.63 -1.20 -1.34 116.57 116.73 3jw0 h LYS 133 Ca 0.07 0.02 0.21 0.00 -0.85 0.00 0.00 60.65 60.09 3jw0 h LYS 133 Cb 0.77 0.07 -0.18 0.00 -0.60 0.00 0.00 32.23 32.29 3jw0 h LYS 133 CO -0.00 -0.19 -0.19 0.98 -3.45 0.00 0.00 179.45 176.59 3jw0 n TYR 134 N -3.34 0.40 -0.12 1.91 4.19 -0.31 0.58 117.16 120.47 3jw0 n TYR 134 Ca -0.04 1.18 -0.08 0.00 3.31 0.00 0.00 57.90 62.27 3jw0 n TYR 134 Cb 0.12 -1.09 -0.00 0.00 0.49 0.00 0.00 39.34 38.85 3jw0 n TYR 134 CO 0.00 0.00 0.00 -0.91 0.91 0.00 0.00 176.86 176.86 3jw0 h ASN 135 N 0.00 0.46 -0.26 2.98 2.35 -1.16 0.15 115.58 120.09 3jw0 h ASN 135 Ca 0.49 -0.06 0.03 0.00 -0.55 0.00 0.00 56.30 56.21 3jw0 h ASN 135 Cb 0.80 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.02 3jw0 h ASN 135 CO -0.98 0.38 0.07 -0.09 -1.65 0.00 0.00 177.43 175.16 3jw0 h ARG 136 N 0.50 0.18 0.77 0.81 2.43 0.13 -0.27 114.38 118.92 3jw0 h ARG 136 Ca 0.14 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3jw0 h ARG 136 Cb 0.01 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3jw0 h ARG 136 CO -0.03 0.12 -0.37 0.82 -1.51 0.00 0.00 179.97 179.00 3jw0 h ILE 137 N 0.18 0.00 -1.01 1.20 2.04 -0.86 -2.47 117.51 116.59 3jw0 h ILE 137 Ca 0.12 -0.24 0.24 0.00 1.00 0.00 0.00 64.86 65.99 3jw0 h ILE 137 Cb 0.10 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.09 3jw0 h ILE 137 CO -0.14 0.00 0.64 0.00 0.00 0.00 0.00 178.15 178.65 3jw0 h ALA 138 N -1.29 2.08 -0.40 1.87 0.00 -0.71 0.13 119.26 120.94 3jw0 h ALA 138 Ca -0.11 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3jw0 h ALA 138 Cb 0.79 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3jw0 h ALA 138 CO 0.17 -0.47 -0.07 -0.09 0.00 0.00 0.00 179.25 178.79 3jw0 h ARG 139 N 0.48 0.75 -0.29 0.00 2.43 -0.98 -3.00 114.38 113.77 3jw0 h ARG 139 Ca 0.59 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.45 3jw0 h ARG 139 Cb 1.33 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 3jw0 h ARG 139 CO -0.32 0.87 0.06 0.93 -1.51 0.00 0.00 179.97 180.00 3jw0 h GLU 140 N 0.56 0.42 -0.23 0.20 5.08 -0.28 -1.74 114.58 118.59 3jw0 h GLU 140 Ca 0.10 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 3jw0 h GLU 140 Cb 0.58 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3jw0 h GLU 140 CO 0.03 0.40 -0.22 -1.49 -1.00 0.00 0.00 179.01 176.74 3jw0 h TRP 141 N 0.41 0.47 0.00 4.33 4.06 -1.30 -1.64 115.95 122.28 3jw0 h TRP 141 Ca 0.10 -0.09 -0.05 0.00 2.06 0.00 0.00 58.89 60.91 3jw0 h TRP 141 Cb 0.18 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 3jw0 h TRP 141 CO 0.01 0.62 -0.22 1.15 -3.56 0.00 0.00 178.44 176.44 3jw0 h THR 142 N 0.38 1.07 -0.08 1.49 2.02 -1.18 0.85 112.91 117.46 3jw0 h THR 142 Ca 0.06 -0.77 -0.24 0.00 0.77 0.00 0.00 66.41 66.23 3jw0 h THR 142 Cb 0.60 1.43 0.01 0.00 -1.74 0.00 0.00 68.15 68.45 3jw0 h THR 142 CO 0.04 0.21 -0.89 1.56 0.37 0.00 0.00 175.52 176.82 3jw0 h GLN 143 N 0.00 0.73 0.12 6.66 1.08 -1.12 -2.80 115.11 119.78 3jw0 h GLN 143 Ca -0.00 -0.67 -0.21 0.00 -1.45 0.00 0.00 58.65 56.32 3jw0 h GLN 143 Cb 0.41 0.16 0.01 0.00 -0.05 0.00 0.00 27.48 28.01 3jw0 h GLN 143 CO 0.03 1.27 -1.01 -0.22 -0.95 0.00 0.00 178.83 177.95 3jw0 h LYS 144 N 0.46 0.26 0.00 1.46 3.64 -1.05 -3.39 116.57 117.95 3jw0 h LYS 144 Ca -0.08 -0.44 -0.17 0.00 -1.27 0.00 0.00 60.65 58.68 3jw0 h LYS 144 Cb 1.52 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 33.48 3jw0 h LYS 144 CO 0.18 1.21 -1.81 0.66 -2.27 0.00 0.00 179.45 177.42 3jw0 n TYR 145 N -4.08 0.00 1.11 1.91 4.01 0.26 -4.64 117.16 115.73 3jw0 n TYR 145 Ca -0.18 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.68 3jw0 n TYR 145 Cb 0.83 -0.55 0.35 0.00 -0.31 0.00 0.00 39.34 39.66 3jw0 n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3jw0 n ALA 146 N -2.35 2.51 0.22 -0.72 0.00 -1.07 -4.76 120.51 114.34 3jw0 n ALA 146 Ca -0.16 -0.61 0.03 0.00 0.00 0.00 0.00 53.44 52.70 3jw0 n ALA 146 Cb 0.77 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 19.22 3jw0 n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17