#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eb6 n SER 0 N 0.00 0.00 -0.12 1.61 3.41 -1.26 -5.06 113.62 112.19 3eb6 n SER 0 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 3eb6 n SER 0 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 3eb6 n SER 0 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3eb6 n MET 1 N 0.00 0.64 -0.32 4.33 0.00 -1.26 -4.04 117.12 116.47 3eb6 n MET 1 Ca 0.00 0.19 0.14 0.00 -0.00 0.00 0.00 57.70 58.03 3eb6 n MET 1 Cb 0.00 -1.53 0.27 0.00 0.00 0.00 0.00 33.22 31.96 3eb6 n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3eb6 n ALA 2 N -3.50 0.46 -0.14 -5.12 0.00 -1.26 -0.51 120.51 110.45 3eb6 n ALA 2 Ca -0.47 0.99 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3eb6 n ALA 2 Cb 0.96 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.70 3eb6 n ALA 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3eb6 n LEU 3 N -5.36 0.00 -0.12 0.00 0.00 -1.26 0.66 117.00 110.93 3eb6 n LEU 3 Ca 0.21 0.93 0.21 0.00 0.00 0.00 0.00 56.01 57.37 3eb6 n LEU 3 Cb 0.70 -0.43 0.63 0.00 0.00 0.00 0.00 43.42 44.32 3eb6 n LEU 3 CO -0.07 -0.43 1.21 0.50 0.00 0.00 0.00 177.39 178.60 3eb6 h LYS 4 N 0.00 0.15 0.56 1.96 3.11 -1.66 0.38 116.57 121.07 3eb6 h LYS 4 Ca 0.00 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.80 3eb6 h LYS 4 Cb 0.00 -0.03 0.01 0.00 -1.00 0.00 0.00 32.23 31.20 3eb6 h LYS 4 CO 0.00 0.10 -0.27 -0.09 -2.81 0.00 0.00 179.45 176.38 3eb6 h ARG 5 N 0.15 -0.72 -0.52 1.90 9.65 -0.40 -3.00 114.38 121.44 3eb6 h ARG 5 Ca 0.35 0.05 0.02 0.00 -1.10 0.00 0.00 59.98 59.30 3eb6 h ARG 5 Cb 1.17 0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.89 3eb6 h ARG 5 CO -0.05 -0.42 0.35 0.82 2.80 0.00 0.00 179.97 183.46 3eb6 h ILE 6 N -0.91 1.11 -0.88 1.20 2.04 0.20 -0.59 117.51 119.67 3eb6 h ILE 6 Ca -0.08 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.57 3eb6 h ILE 6 Cb 0.63 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 3eb6 h ILE 6 CO 0.13 0.12 0.58 0.45 0.00 0.00 0.00 178.15 179.43 3eb6 h HIS 7 N 0.67 1.10 0.16 1.37 3.86 -1.03 -0.20 115.15 121.07 3eb6 h HIS 7 Ca 0.20 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 3eb6 h HIS 7 Cb -0.02 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.09 3eb6 h HIS 7 CO -0.00 0.67 -0.07 -0.22 0.86 0.00 0.00 177.93 179.17 3eb6 h LYS 8 N 1.17 -0.20 -0.57 2.45 3.64 -1.05 -0.05 116.57 121.96 3eb6 h LYS 8 Ca 0.33 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.78 3eb6 h LYS 8 Cb -0.10 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.70 3eb6 h LYS 8 CO -0.08 0.07 -0.34 0.39 -2.27 0.00 0.00 179.45 177.22 3eb6 n GLU 9 N -5.07 -0.25 -0.00 1.90 -0.58 -0.36 0.44 120.64 116.72 3eb6 n GLU 9 Ca -0.09 1.18 -0.09 0.00 -0.42 0.00 0.00 57.16 57.74 3eb6 n GLU 9 Cb 0.20 -1.74 -0.03 0.00 -0.57 0.00 0.00 31.44 29.29 3eb6 n GLU 9 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3eb6 h LEU 10 N 0.00 -0.53 -2.41 -4.62 7.12 -1.07 0.31 115.31 114.11 3eb6 h LEU 10 Ca 0.09 0.10 -0.00 0.00 0.13 0.00 0.00 57.88 58.19 3eb6 h LEU 10 Cb 0.23 0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 40.61 3eb6 h LEU 10 CO -0.53 -0.22 -0.02 -1.13 -0.13 0.00 0.00 178.44 176.41 3eb6 h ASN 11 N -0.22 0.00 0.15 1.25 -0.00 0.11 -2.30 115.58 114.57 3eb6 h ASN 11 Ca 0.10 0.00 -0.33 0.00 -0.00 0.00 0.00 56.30 56.07 3eb6 h ASN 11 Cb 0.36 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.68 3eb6 h ASN 11 CO -0.26 0.02 -1.69 0.44 -0.00 0.00 0.00 177.43 175.95 3eb6 h ASP 12 N 0.00 0.49 -0.01 1.15 3.32 0.62 -3.29 116.42 118.70 3eb6 h ASP 12 Ca -0.00 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.15 3eb6 h ASP 12 Cb 0.05 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 3eb6 h ASP 12 CO 0.00 1.75 0.13 0.25 -1.72 0.00 0.00 179.24 179.65 3eb6 h LEU 13 N -0.06 0.00 0.03 1.55 6.46 -0.44 0.44 115.31 123.29 3eb6 h LEU 13 Ca -0.35 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.41 3eb6 h LEU 13 Cb 1.96 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.89 3eb6 h LEU 13 CO 0.11 0.00 -0.01 0.00 -0.62 0.00 0.00 178.44 177.92 3eb6 h ALA 14 N 1.75 -0.04 -0.24 1.25 0.00 -1.52 -2.94 119.26 117.52 3eb6 h ALA 14 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.59 3eb6 h ALA 14 Cb 0.27 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3eb6 h ALA 14 CO -0.00 -0.16 0.13 0.00 0.00 0.00 0.00 179.25 179.22 3eb6 h ARG 15 N -0.76 0.27 -2.42 0.00 3.08 -1.08 -3.37 114.38 110.10 3eb6 h ARG 15 Ca -0.00 -0.02 -0.59 0.00 0.07 0.00 0.00 59.98 59.44 3eb6 h ARG 15 Cb 0.68 -0.06 -0.39 0.00 0.08 0.00 0.00 29.97 30.28 3eb6 h ARG 15 CO 0.01 0.18 -0.92 -3.47 -1.07 0.00 0.00 179.97 174.69 3eb6 n ASP 16 N -4.96 0.24 -4.78 7.04 2.03 -0.05 -5.12 116.55 110.94 3eb6 n ASP 16 Ca -0.02 -2.57 -0.35 0.00 0.52 0.00 0.00 54.79 52.37 3eb6 n ASP 16 Cb 0.05 -0.60 -0.01 0.00 -0.72 0.00 0.00 41.12 39.84 3eb6 n ASP 16 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3eb6 s PRO 17 N -0.40 3.56 -1.08 -0.67 0.02 -1.11 -4.59 135.00 130.73 3eb6 s PRO 17 Ca 0.32 1.56 -0.22 0.00 0.02 0.00 0.00 61.00 62.69 3eb6 s PRO 17 Cb 0.05 -2.10 0.04 0.00 0.02 0.00 0.00 34.50 32.50 3eb6 s PRO 17 CO -0.18 -0.67 1.60 -2.14 -0.33 0.00 0.00 177.00 175.28 3eb6 s PRO 18 N -3.16 3.51 0.00 5.54 0.02 -1.26 -4.85 135.00 134.80 3eb6 s PRO 18 Ca 0.70 -1.23 0.00 0.00 0.02 0.00 0.00 61.00 60.48 3eb6 s PRO 18 Cb -0.22 -5.36 0.00 0.00 0.02 0.00 0.00 34.50 28.93 3eb6 s PRO 18 CO 0.26 -2.45 0.00 0.00 -0.33 0.00 0.00 177.00 174.48 3eb6 n ALA 19 N 9.64 0.00 1.11 -1.55 0.00 -1.26 -2.30 120.51 126.16 3eb6 n ALA 19 Ca 0.38 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.94 3eb6 n ALA 19 Cb 0.49 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.10 3eb6 n ALA 19 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3eb6 n GLN 20 N 0.00 1.26 -3.90 0.00 -0.06 -1.26 -5.02 117.38 108.40 3eb6 n GLN 20 Ca 0.00 -0.95 -0.10 0.00 -2.00 0.00 0.00 57.00 53.95 3eb6 n GLN 20 Cb 0.00 -1.48 -0.00 0.00 -4.06 0.00 0.00 30.24 24.70 3eb6 n GLN 20 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3eb6 s SER 22 N -3.09 -0.13 0.31 0.00 1.04 -0.81 -4.33 113.70 106.69 3eb6 s SER 22 Ca 0.19 -0.26 0.06 0.00 0.48 0.00 0.00 55.95 56.43 3eb6 s SER 22 Cb -0.04 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 3eb6 s SER 22 CO 0.13 -0.68 0.24 0.00 0.98 0.00 0.00 173.24 173.90 3eb6 n ALA 23 N 0.32 0.63 0.00 5.32 0.00 -1.26 0.10 120.51 125.62 3eb6 n ALA 23 Ca -0.18 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.47 3eb6 n ALA 23 Cb 0.61 1.41 0.00 0.00 0.00 0.00 0.00 19.45 21.47 3eb6 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3eb6 n GLY 24 N -0.58 0.83 3.77 0.00 0.00 -0.96 -4.97 105.19 103.28 3eb6 n GLY 24 Ca 0.05 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 3eb6 n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3eb6 s PRO 25 N -2.00 3.55 -0.10 1.61 0.04 -1.26 -0.91 135.00 135.93 3eb6 s PRO 25 Ca 0.00 1.83 -0.04 0.00 0.04 0.00 0.00 61.00 62.83 3eb6 s PRO 25 Cb 0.00 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 3eb6 s PRO 25 CO 0.00 -0.74 -0.08 0.28 0.04 0.00 0.00 177.00 176.50 3eb6 h VAL 26 N 1.65 0.00 -2.06 -0.36 2.07 -1.67 -3.44 116.25 112.43 3eb6 h VAL 26 Ca -0.50 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.16 3eb6 h VAL 26 Cb 1.26 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3eb6 h VAL 26 CO 0.59 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.79 3eb6 n GLY 27 N 1.72 2.50 0.07 2.17 0.00 -1.26 -4.98 105.19 105.40 3eb6 n GLY 27 Ca -0.03 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 44.15 3eb6 n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3eb6 n ASP 28 N 0.00 0.50 -4.55 1.61 8.00 -1.26 -4.60 116.55 116.25 3eb6 n ASP 28 Ca 0.00 0.55 -0.36 0.00 0.71 0.00 0.00 54.79 55.69 3eb6 n ASP 28 Cb 0.00 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 40.38 3eb6 n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3eb6 s ASP 29 N -3.94 4.95 0.08 -2.24 3.68 -1.26 -4.81 116.67 113.13 3eb6 s ASP 29 Ca 0.11 0.50 0.12 0.00 2.13 0.00 0.00 52.55 55.42 3eb6 s ASP 29 Cb 0.14 -2.52 0.55 0.00 -1.45 0.00 0.00 42.92 39.64 3eb6 s ASP 29 CO 0.55 -2.61 1.38 0.23 0.13 0.00 0.00 175.17 174.86 3eb6 n MET 30 N 9.10 0.05 0.03 4.34 2.81 -1.26 -2.49 117.12 129.70 3eb6 n MET 30 Ca 0.27 0.40 0.11 0.00 -1.81 0.00 0.00 57.70 56.67 3eb6 n MET 30 Cb 0.52 -1.61 0.06 0.00 -0.71 0.00 0.00 33.22 31.48 3eb6 n MET 30 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3eb6 n PHE 31 N -1.70 0.25 -3.69 2.03 3.72 -1.26 -4.69 117.46 112.12 3eb6 n PHE 31 Ca 0.02 0.07 -0.39 0.00 -0.05 0.00 0.00 57.45 57.10 3eb6 n PHE 31 Cb 0.11 -0.41 -0.11 0.00 -0.94 0.00 0.00 39.48 38.13 3eb6 n PHE 31 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3eb6 s HIS 32 N -3.16 3.30 0.20 1.38 2.46 -1.04 -0.46 115.29 117.98 3eb6 s HIS 32 Ca 0.05 -1.48 0.09 0.00 0.47 0.00 0.00 55.06 54.19 3eb6 s HIS 32 Cb 0.15 -2.58 -0.04 0.00 -0.13 0.00 0.00 32.58 29.98 3eb6 s HIS 32 CO 0.78 -0.78 -0.08 -1.58 -2.47 0.00 0.00 174.74 170.62 3eb6 s TRP 33 N 1.41 2.65 -0.10 3.88 0.52 0.18 -2.24 118.94 125.24 3eb6 s TRP 33 Ca 0.01 -0.22 0.02 0.00 0.02 0.00 0.00 56.10 55.93 3eb6 s TRP 33 Cb -0.21 -1.27 0.02 0.00 -1.15 0.00 0.00 33.47 30.86 3eb6 s TRP 33 CO 0.02 0.54 -0.14 -1.14 0.02 0.00 0.00 176.95 176.25 3eb6 s GLN 34 N -2.99 2.05 -0.02 4.98 0.74 -0.09 -0.46 119.66 123.88 3eb6 s GLN 34 Ca 0.26 -0.50 -0.02 0.00 0.05 0.00 0.00 55.36 55.15 3eb6 s GLN 34 Cb -0.08 -1.76 -0.04 0.00 1.10 0.00 0.00 33.01 32.22 3eb6 s GLN 34 CO 0.16 -0.06 0.12 0.00 -0.55 0.00 0.00 175.29 174.96 3eb6 s ALA 35 N 0.98 3.74 -0.14 1.58 0.00 -0.18 -2.28 121.76 125.47 3eb6 s ALA 35 Ca -0.07 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.09 3eb6 s ALA 35 Cb -0.15 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.25 3eb6 s ALA 35 CO -0.01 0.70 -0.18 0.95 0.00 0.00 0.00 175.76 177.22 3eb6 s THR 36 N -1.22 2.44 -0.12 0.00 -4.23 0.12 -0.22 115.64 112.40 3eb6 s THR 36 Ca 0.24 -0.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 3eb6 s THR 36 Cb -0.12 -2.00 -0.01 0.00 1.34 0.00 0.00 72.50 71.71 3eb6 s THR 36 CO 0.14 0.53 -0.16 -0.51 -0.54 0.00 0.00 174.62 174.09 3eb6 s ILE 37 N 0.71 2.81 -1.02 2.99 2.07 0.40 -1.93 121.20 127.24 3eb6 s ILE 37 Ca -0.08 -0.75 -0.12 0.00 -1.41 0.00 0.00 60.65 58.29 3eb6 s ILE 37 Cb -0.16 -2.16 0.24 0.00 0.13 0.00 0.00 42.46 40.52 3eb6 s ILE 37 CO 0.01 0.53 1.02 -0.32 -1.91 0.00 0.00 174.94 174.27 3eb6 s MET 38 N 0.31 3.97 0.00 3.50 -2.45 -0.90 0.07 119.30 123.80 3eb6 s MET 38 Ca -0.12 -2.86 0.00 0.00 -1.25 0.00 0.00 55.69 51.46 3eb6 s MET 38 Cb -0.16 -4.56 0.00 0.00 1.25 0.00 0.00 34.83 31.35 3eb6 s MET 38 CO 0.06 -1.32 0.00 0.41 1.05 0.00 0.00 175.02 175.23 3eb6 n GLY 39 N 3.35 0.00 3.75 2.11 0.00 -0.84 -4.74 105.19 108.82 3eb6 n GLY 39 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3eb6 n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3eb6 s PRO 40 N 0.00 4.43 0.48 1.61 0.04 -1.26 -3.67 135.00 136.62 3eb6 s PRO 40 Ca 0.00 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 62.84 3eb6 s PRO 40 Cb 0.00 -3.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.31 3eb6 s PRO 40 CO 0.00 -0.15 1.39 -0.80 0.04 0.00 0.00 177.00 177.48 3eb6 s ASN 41 N -0.10 5.69 -1.47 6.66 -0.87 -1.26 -2.35 114.94 121.24 3eb6 s ASN 41 Ca 0.52 2.84 -0.11 0.00 -1.57 0.00 0.00 52.86 54.54 3eb6 s ASN 41 Cb -0.36 -2.65 0.06 0.00 -0.02 0.00 0.00 41.25 38.28 3eb6 s ASN 41 CO 0.43 -1.29 1.00 -0.67 -2.57 0.00 0.00 177.10 173.99 3eb6 n ASP 42 N -0.48 -4.68 -4.57 -1.22 -0.08 -1.26 -4.98 116.55 99.28 3eb6 n ASP 42 Ca 0.07 -0.73 -0.26 0.00 -1.51 0.00 0.00 54.79 52.36 3eb6 n ASP 42 Cb 0.43 -4.17 -0.11 0.00 2.34 0.00 0.00 41.12 39.61 3eb6 n ASP 42 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3eb6 s SER 43 N -3.45 3.48 -0.02 1.67 1.04 -0.99 -4.93 113.70 110.49 3eb6 s SER 43 Ca 0.56 -1.36 0.01 0.00 0.48 0.00 0.00 55.95 55.64 3eb6 s SER 43 Cb -0.27 -0.31 0.07 0.00 0.10 0.00 0.00 66.02 65.60 3eb6 s SER 43 CO 0.81 -0.47 0.64 -0.81 0.98 0.00 0.00 173.24 174.38 3eb6 n PRO 44 N -0.88 1.31 0.00 4.02 -0.04 -1.26 -3.32 135.00 134.82 3eb6 n PRO 44 Ca -0.04 -0.26 0.03 0.00 -0.04 0.00 0.00 63.50 63.18 3eb6 n PRO 44 Cb 0.67 -1.53 0.02 0.00 -0.04 0.00 0.00 33.50 32.62 3eb6 n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3eb6 n TYR 45 N 0.07 0.00 -1.64 0.54 4.02 -1.26 -3.12 117.16 115.78 3eb6 n TYR 45 Ca 0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.53 3eb6 n TYR 45 Cb 0.35 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.72 3eb6 n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3eb6 n GLN 46 N 0.23 1.04 0.00 -0.72 10.64 -1.21 -3.14 117.38 124.22 3eb6 n GLN 46 Ca 0.03 0.40 0.00 0.00 -1.83 0.00 0.00 57.00 55.60 3eb6 n GLN 46 Cb 0.13 -2.23 0.00 0.00 -0.86 0.00 0.00 30.24 27.28 3eb6 n GLN 46 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3eb6 n GLY 47 N 1.19 2.03 3.46 2.61 0.00 -1.24 -4.99 105.19 108.26 3eb6 n GLY 47 Ca 0.13 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 3eb6 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eb6 n GLY 48 N 0.00 -1.56 3.61 -0.02 0.00 -1.19 -4.74 105.19 101.30 3eb6 n GLY 48 Ca 0.00 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 3eb6 n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3eb6 s VAL 49 N -1.91 3.79 0.01 1.61 1.01 -1.19 -1.99 120.40 121.73 3eb6 s VAL 49 Ca 0.65 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 62.12 3eb6 s VAL 49 Cb -0.35 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 3eb6 s VAL 49 CO 0.58 0.51 -0.19 -0.36 0.00 0.00 0.00 175.10 175.64 3eb6 s PHE 50 N -0.91 1.66 -0.08 5.22 0.08 0.11 -4.56 117.98 119.51 3eb6 s PHE 50 Ca 0.15 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 56.91 3eb6 s PHE 50 Cb -0.11 -1.04 -0.01 0.00 -0.57 0.00 0.00 43.02 41.29 3eb6 s PHE 50 CO 0.04 0.01 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.91 3eb6 s PHE 51 N -0.57 2.59 0.18 0.36 0.40 -1.26 0.15 117.98 119.82 3eb6 s PHE 51 Ca 0.07 -0.67 0.09 0.00 -0.60 0.00 0.00 56.93 55.81 3eb6 s PHE 51 Cb -0.08 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 3eb6 s PHE 51 CO 0.00 -0.19 -0.19 -0.51 0.70 0.00 0.00 175.22 175.04 3eb6 s LEU 52 N -0.05 2.46 -0.17 -0.37 1.02 0.69 -0.77 118.68 121.48 3eb6 s LEU 52 Ca -0.06 -0.88 -0.03 0.00 0.02 0.00 0.00 54.13 53.18 3eb6 s LEU 52 Cb -0.14 -0.87 -0.02 0.00 0.02 0.00 0.00 46.19 45.18 3eb6 s LEU 52 CO 0.05 -0.02 -0.06 0.28 0.02 0.00 0.00 176.35 176.61 3eb6 s THR 53 N -2.10 3.48 -0.11 5.49 -1.32 0.14 -1.01 115.64 120.21 3eb6 s THR 53 Ca 0.18 -0.49 -0.01 0.00 -1.21 0.00 0.00 61.69 60.15 3eb6 s THR 53 Cb -0.06 -2.53 -0.03 0.00 -1.51 0.00 0.00 72.50 68.38 3eb6 s THR 53 CO 0.07 0.48 -0.05 -0.63 -2.21 0.00 0.00 174.62 172.28 3eb6 s ILE 54 N 0.76 3.78 -0.17 5.08 1.01 0.39 -1.80 121.20 130.24 3eb6 s ILE 54 Ca -0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 3eb6 s ILE 54 Cb -0.15 -2.60 0.05 0.00 0.01 0.00 0.00 42.46 39.78 3eb6 s ILE 54 CO 0.02 0.55 0.04 -2.28 0.00 0.00 0.00 174.94 173.26 3eb6 s HIS 55 N -0.19 0.82 0.05 3.97 2.46 0.70 0.50 115.29 123.60 3eb6 s HIS 55 Ca 0.03 -0.64 -0.29 0.00 0.47 0.00 0.00 55.06 54.62 3eb6 s HIS 55 Cb -0.13 -0.93 -0.04 0.00 -0.13 0.00 0.00 32.58 31.35 3eb6 s HIS 55 CO 0.03 -0.54 0.94 -0.06 -2.47 0.00 0.00 174.74 172.64 3eb6 s PHE 56 N 1.93 3.72 0.71 3.88 0.40 0.40 0.41 117.98 129.43 3eb6 s PHE 56 Ca 0.01 1.70 -0.14 0.00 -0.60 0.00 0.00 56.93 57.91 3eb6 s PHE 56 Cb -0.16 -3.06 0.03 0.00 0.51 0.00 0.00 43.02 40.34 3eb6 s PHE 56 CO -0.08 0.10 1.12 -2.14 0.70 0.00 0.00 175.22 174.93 3eb6 s PRO 57 N 0.50 2.46 0.57 0.24 0.02 -1.26 -4.89 135.00 132.65 3eb6 s PRO 57 Ca 0.48 1.39 0.34 0.00 0.02 0.00 0.00 61.00 63.24 3eb6 s PRO 57 Cb -0.22 -1.91 1.68 0.00 0.02 0.00 0.00 34.50 34.07 3eb6 s PRO 57 CO 0.28 -1.52 2.12 1.79 -0.33 0.00 0.00 177.00 179.34 3eb6 h THR 58 N -0.43 0.23 -0.33 0.99 1.35 -1.97 -1.87 112.91 110.88 3eb6 h THR 58 Ca -0.46 -0.40 -0.11 0.00 -0.55 0.00 0.00 66.41 64.88 3eb6 h THR 58 Cb 1.25 1.32 -0.07 0.00 -1.73 0.00 0.00 68.15 68.92 3eb6 h THR 58 CO 0.52 0.05 -0.01 -0.90 -0.25 0.00 0.00 175.52 174.93 3eb6 n ASP 59 N -3.30 3.11 -4.76 5.36 3.85 -1.26 -4.76 116.55 114.79 3eb6 n ASP 59 Ca -0.01 -3.43 -0.41 0.00 -0.71 0.00 0.00 54.79 50.23 3eb6 n ASP 59 Cb 0.22 -0.60 0.01 0.00 -1.35 0.00 0.00 41.12 39.40 3eb6 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3eb6 n TYR 60 N -0.88 2.70 1.23 2.11 9.36 -0.71 -1.76 117.16 129.21 3eb6 n TYR 60 Ca 0.29 0.45 0.10 0.00 3.32 0.00 0.00 57.90 62.07 3eb6 n TYR 60 Cb 0.99 -2.47 0.38 0.00 -0.63 0.00 0.00 39.34 37.61 3eb6 n TYR 60 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3eb6 n PRO 61 N 0.06 1.72 0.16 2.98 -0.04 -1.26 -4.10 135.00 134.52 3eb6 n PRO 61 Ca 0.04 -1.08 0.03 0.00 -0.04 0.00 0.00 63.50 62.45 3eb6 n PRO 61 Cb 0.40 -1.39 0.17 0.00 -0.04 0.00 0.00 33.50 32.64 3eb6 n PRO 61 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3eb6 h PHE 62 N 2.19 0.00 -3.54 0.54 -1.00 -1.73 -3.29 116.94 110.10 3eb6 h PHE 62 Ca 0.00 0.00 -0.67 0.00 2.81 0.00 0.00 57.97 60.11 3eb6 h PHE 62 Cb 0.48 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 39.88 3eb6 h PHE 62 CO 0.10 0.47 -0.70 0.15 -1.61 0.00 0.00 178.31 176.73 3eb6 s LYS 63 N -3.27 2.50 0.51 1.51 -0.14 -1.20 -4.86 119.74 114.78 3eb6 s LYS 63 Ca 0.02 -0.78 -0.21 0.00 -1.36 0.00 0.00 55.97 53.64 3eb6 s LYS 63 Cb 0.09 -2.49 -0.07 0.00 -1.68 0.00 0.00 37.83 33.69 3eb6 s LYS 63 CO 0.72 0.58 1.11 -1.25 -0.76 0.00 0.00 175.35 175.75 3eb6 s PRO 64 N -1.71 3.57 0.62 -1.68 0.04 -1.26 -4.40 135.00 130.19 3eb6 s PRO 64 Ca 0.19 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 3eb6 s PRO 64 Cb -0.11 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 3eb6 s PRO 64 CO 0.11 -0.66 1.07 -1.25 0.04 0.00 0.00 177.00 176.31 3eb6 s PRO 65 N -3.10 3.11 -0.37 0.56 0.04 -1.26 -4.60 135.00 129.38 3eb6 s PRO 65 Ca 0.69 1.24 -0.24 0.00 0.04 0.00 0.00 61.00 62.73 3eb6 s PRO 65 Cb -0.23 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.32 3eb6 s PRO 65 CO 0.27 -0.98 0.85 0.15 0.04 0.00 0.00 177.00 177.33 3eb6 s LYS 66 N -4.17 3.78 -0.07 4.56 -0.14 0.16 -4.89 119.74 118.97 3eb6 s LYS 66 Ca 0.64 0.41 0.03 0.00 -1.36 0.00 0.00 55.97 55.69 3eb6 s LYS 66 Cb -0.17 -3.81 0.01 0.00 -1.68 0.00 0.00 37.83 32.17 3eb6 s LYS 66 CO 0.40 -0.91 -0.16 0.08 -0.76 0.00 0.00 175.35 174.00 3eb6 s VAL 67 N 3.28 1.44 -0.23 3.17 1.01 -1.25 -0.21 120.40 127.60 3eb6 s VAL 67 Ca 0.34 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 3eb6 s VAL 67 Cb -0.13 -1.27 0.06 0.00 0.00 0.00 0.00 36.38 35.05 3eb6 s VAL 67 CO 0.18 0.42 0.59 0.00 0.00 0.00 0.00 175.10 176.29 3eb6 s ALA 68 N 0.44 -1.50 0.15 5.51 0.00 -0.75 -4.10 121.76 121.52 3eb6 s ALA 68 Ca -0.13 1.84 -0.31 0.00 0.00 0.00 0.00 51.96 53.35 3eb6 s ALA 68 Cb -0.15 -1.08 -0.10 0.00 0.00 0.00 0.00 23.12 21.78 3eb6 s ALA 68 CO 0.05 -0.30 1.70 -0.06 0.00 0.00 0.00 175.76 177.14 3eb6 s PHE 69 N 0.84 2.67 0.03 0.00 0.08 -0.66 -0.68 117.98 120.26 3eb6 s PHE 69 Ca -0.04 0.32 0.02 0.00 0.12 0.00 0.00 56.93 57.35 3eb6 s PHE 69 Cb -0.05 -4.06 -0.25 0.00 -0.57 0.00 0.00 43.02 38.08 3eb6 s PHE 69 CO -0.07 -4.15 0.96 1.79 -0.10 0.00 0.00 175.22 173.66 3eb6 h THR 70 N 4.26 1.28 -4.08 0.64 1.35 -1.28 -3.39 112.91 111.70 3eb6 h THR 70 Ca -0.44 -2.98 -0.52 0.00 -0.55 0.00 0.00 66.41 61.93 3eb6 h THR 70 Cb 1.21 2.74 0.10 0.00 -1.73 0.00 0.00 68.15 70.47 3eb6 h THR 70 CO 0.94 0.81 0.48 -0.89 -0.25 0.00 0.00 175.52 176.61 3eb6 s THR 71 N -2.64 2.74 0.40 6.82 2.01 -1.10 -5.02 115.64 118.85 3eb6 s THR 71 Ca -0.05 0.48 -0.23 0.00 0.31 0.00 0.00 61.69 62.20 3eb6 s THR 71 Cb 0.08 -3.20 -0.09 0.00 0.01 0.00 0.00 72.50 69.29 3eb6 s THR 71 CO 0.84 -0.08 1.01 -0.60 -0.69 0.00 0.00 174.62 175.10 3eb6 s ARG 72 N -3.21 4.21 -0.20 4.92 3.52 -1.26 -4.94 118.95 121.99 3eb6 s ARG 72 Ca 0.74 1.39 -0.27 0.00 -0.13 0.00 0.00 55.73 57.46 3eb6 s ARG 72 Cb -0.30 -2.47 0.07 0.00 -1.56 0.00 0.00 34.95 30.69 3eb6 s ARG 72 CO 0.33 -0.08 0.73 -1.50 -0.81 0.00 0.00 175.30 173.98 3eb6 s ILE 73 N -1.78 0.00 -0.58 4.11 2.07 -1.26 -4.69 121.20 119.07 3eb6 s ILE 73 Ca 0.58 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.68 3eb6 s ILE 73 Cb -0.18 -1.00 0.15 0.00 0.13 0.00 0.00 42.46 41.55 3eb6 s ILE 73 CO 0.23 0.00 0.52 -0.47 -1.91 0.00 0.00 174.94 173.31 3eb6 s TYR 74 N -0.17 3.38 -0.22 3.50 6.14 -1.26 -4.93 117.35 123.79 3eb6 s TYR 74 Ca -0.03 -1.58 -0.14 0.00 0.64 0.00 0.00 57.07 55.96 3eb6 s TYR 74 Cb -0.03 -3.73 0.07 0.00 0.42 0.00 0.00 41.96 38.69 3eb6 s TYR 74 CO 0.03 -1.00 0.56 -1.58 0.64 0.00 0.00 175.55 174.20 3eb6 s HIS 75 N 1.24 -0.81 0.63 4.97 2.46 -1.26 -4.78 115.29 117.73 3eb6 s HIS 75 Ca 0.07 1.69 0.36 0.00 0.47 0.00 0.00 55.06 57.65 3eb6 s HIS 75 Cb -0.25 0.42 2.04 0.00 -0.13 0.00 0.00 32.58 34.66 3eb6 s HIS 75 CO -0.00 -0.42 2.26 -1.00 -2.47 0.00 0.00 174.74 173.11 3eb6 h PRO 76 N 6.78 0.00 -0.59 2.88 0.13 -1.90 -1.17 132.00 138.13 3eb6 h PRO 76 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3eb6 h PRO 76 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3eb6 h PRO 76 CO 0.21 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.07 3eb6 n ASN 77 N -3.45 4.38 -3.88 1.44 5.03 -1.26 -1.02 115.26 116.50 3eb6 n ASN 77 Ca -0.02 -2.40 -0.22 0.00 0.87 0.00 0.00 54.58 52.81 3eb6 n ASN 77 Cb 0.14 -0.52 -0.17 0.00 -1.02 0.00 0.00 39.78 38.21 3eb6 n ASN 77 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3eb6 s ILE 78 N -1.74 0.65 0.69 2.41 1.01 -0.44 -0.52 121.20 123.26 3eb6 s ILE 78 Ca 0.47 -0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.90 3eb6 s ILE 78 Cb 0.30 -0.69 0.03 0.00 0.01 0.00 0.00 42.46 42.11 3eb6 s ILE 78 CO 0.23 0.27 1.04 0.54 0.00 0.00 0.00 174.94 177.02 3eb6 s ASN 79 N 1.27 5.19 0.18 3.58 4.22 -0.94 -4.53 114.94 123.91 3eb6 s ASN 79 Ca -0.05 0.82 0.14 0.00 -2.14 0.00 0.00 52.86 51.63 3eb6 s ASN 79 Cb -0.14 -1.58 0.72 0.00 1.28 0.00 0.00 41.25 41.53 3eb6 s ASN 79 CO -0.02 -1.42 1.44 -1.54 -2.04 0.00 0.00 177.10 173.52 3eb6 n SER 80 N -2.93 0.34 -0.17 3.54 3.41 -1.26 -1.43 113.62 115.13 3eb6 n SER 80 Ca 0.07 0.64 0.10 0.00 -0.26 0.00 0.00 58.87 59.42 3eb6 n SER 80 Cb 0.59 -0.69 -0.08 0.00 -0.26 0.00 0.00 64.21 63.76 3eb6 n SER 80 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3eb6 n ASN 81 N -1.94 1.35 0.00 4.04 4.05 -1.26 -5.00 115.26 116.50 3eb6 n ASN 81 Ca -0.00 -1.17 0.00 0.00 0.45 0.00 0.00 54.58 53.86 3eb6 n ASN 81 Cb 0.06 0.82 0.00 0.00 1.23 0.00 0.00 39.78 41.89 3eb6 n ASN 81 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3eb6 n GLY 82 N 1.47 2.21 3.71 8.20 0.00 -0.51 -4.94 105.19 115.33 3eb6 n GLY 82 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3eb6 n GLY 82 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3eb6 n SER 83 N 0.00 2.81 -4.81 1.61 7.64 -1.26 -1.65 113.62 117.97 3eb6 n SER 83 Ca 0.00 1.15 -0.36 0.00 1.01 0.00 0.00 58.87 60.67 3eb6 n SER 83 Cb 0.00 -1.52 -0.07 0.00 -1.01 0.00 0.00 64.21 61.61 3eb6 n SER 83 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3eb6 s ILE 84 N -1.16 5.13 -0.83 0.44 1.01 -1.26 -2.21 121.20 122.33 3eb6 s ILE 84 Ca 0.58 0.07 -0.08 0.00 0.00 0.00 0.00 60.65 61.22 3eb6 s ILE 84 Cb -0.52 -3.23 0.21 0.00 0.01 0.00 0.00 42.46 38.94 3eb6 s ILE 84 CO 0.60 0.60 0.73 0.00 0.00 0.00 0.00 174.94 176.87 3eb6 s LEU 86 N -0.41 1.94 0.14 0.00 2.96 -1.26 -4.93 118.68 117.11 3eb6 s LEU 86 Ca 0.21 -0.15 -0.21 0.00 -0.22 0.00 0.00 54.13 53.77 3eb6 s LEU 86 Cb -0.13 -0.43 -0.01 0.00 0.50 0.00 0.00 46.19 46.13 3eb6 s LEU 86 CO -0.08 0.08 1.68 0.44 -1.32 0.00 0.00 176.35 177.15 3eb6 h ASP 87 N 6.08 -0.38 -0.18 3.68 5.19 -1.97 -2.40 116.42 126.45 3eb6 h ASP 87 Ca -0.31 0.08 -0.06 0.00 -0.62 0.00 0.00 57.03 56.13 3eb6 h ASP 87 Cb 1.18 0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.87 3eb6 h ASP 87 CO 0.50 -0.15 -0.06 0.16 -3.12 0.00 0.00 179.24 176.57 3eb6 h ILE 88 N -0.11 1.21 -0.03 0.35 -2.65 -1.95 -0.21 117.51 114.12 3eb6 h ILE 88 Ca 0.11 -0.87 0.01 0.00 1.03 0.00 0.00 64.86 65.13 3eb6 h ILE 88 Cb 0.27 1.04 -0.00 0.00 -2.05 0.00 0.00 36.82 36.07 3eb6 h ILE 88 CO -0.25 0.29 0.05 -0.07 0.03 0.00 0.00 178.15 178.20 3eb6 h LEU 89 N 0.47 0.00 0.00 0.16 -0.00 -1.80 -2.46 115.31 111.68 3eb6 h LEU 89 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 3eb6 h LEU 89 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 3eb6 h LEU 89 CO 0.02 0.00 0.00 0.54 -0.00 0.00 0.00 178.44 179.00 3eb6 n ARG 90 N -3.54 0.00 -0.20 1.13 1.74 -0.90 -4.82 116.66 110.07 3eb6 n ARG 90 Ca -0.02 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.11 3eb6 n ARG 90 Cb 0.13 0.00 0.33 0.00 -1.02 0.00 0.00 32.46 31.91 3eb6 n ARG 90 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3eb6 h SER 91 N 0.00 0.71 -0.10 0.55 4.64 -1.73 -2.86 113.55 114.75 3eb6 h SER 91 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3eb6 h SER 91 Cb 0.00 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3eb6 h SER 91 CO 0.00 0.46 0.00 0.00 -0.87 0.00 0.00 176.83 176.42 3eb6 n GLN 92 N -4.48 1.82 -1.65 4.77 1.13 -0.14 -4.95 117.38 113.88 3eb6 n GLN 92 Ca 0.11 -1.21 -0.40 0.00 -1.94 0.00 0.00 57.00 53.56 3eb6 n GLN 92 Cb 0.20 -1.45 0.02 0.00 0.11 0.00 0.00 30.24 29.13 3eb6 n GLN 92 CO 0.00 0.00 0.00 1.87 -1.44 0.00 0.00 177.06 177.49 3eb6 n TRP 93 N 0.44 1.48 -3.83 1.08 -0.00 -0.93 -4.69 117.44 110.99 3eb6 n TRP 93 Ca 0.17 0.50 -0.12 0.00 -0.00 0.00 0.00 57.50 58.05 3eb6 n TRP 93 Cb 0.39 -2.27 -0.13 0.00 -0.00 0.00 0.00 31.31 29.30 3eb6 n TRP 93 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 3eb6 s SER 94 N -0.80 -0.09 0.51 5.87 0.15 -1.26 -5.03 113.70 113.06 3eb6 s SER 94 Ca 0.66 0.18 0.18 0.00 0.70 0.00 0.00 55.95 57.66 3eb6 s SER 94 Cb -0.50 0.17 1.27 0.00 -1.71 0.00 0.00 66.02 65.24 3eb6 s SER 94 CO 0.54 -0.04 2.10 1.55 1.20 0.00 0.00 173.24 178.59 3eb6 h PRO 95 N 6.15 0.05 -0.30 5.44 0.13 -1.89 -1.41 132.00 140.17 3eb6 h PRO 95 Ca -0.27 -0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.95 3eb6 h PRO 95 Cb 1.20 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3eb6 h PRO 95 CO 0.45 0.03 0.41 0.00 -0.23 0.00 0.00 178.00 178.66 3eb6 h ALA 96 N 1.91 1.92 -3.10 -0.56 0.00 -1.96 -3.42 119.26 114.05 3eb6 h ALA 96 Ca 0.08 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.31 3eb6 h ALA 96 Cb 0.26 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.96 3eb6 h ALA 96 CO -0.01 -0.56 -0.58 -0.48 0.00 0.00 0.00 179.25 177.62 3eb6 s LEU 97 N -7.03 3.87 0.36 0.00 0.05 -0.53 -5.10 118.68 110.29 3eb6 s LEU 97 Ca -0.04 0.19 0.01 0.00 0.05 0.00 0.00 54.13 54.35 3eb6 s LEU 97 Cb 0.14 -2.09 -0.02 0.00 -2.05 0.00 0.00 46.19 42.16 3eb6 s LEU 97 CO 0.48 0.33 0.55 0.42 -0.55 0.00 0.00 176.35 177.58 3eb6 s THR 98 N -1.07 4.82 0.22 5.48 -4.23 -1.26 -4.89 115.64 114.71 3eb6 s THR 98 Ca 0.18 -0.55 -0.09 0.00 -1.18 0.00 0.00 61.69 60.05 3eb6 s THR 98 Cb -0.12 -3.75 0.17 0.00 1.34 0.00 0.00 72.50 70.14 3eb6 s THR 98 CO 0.09 -0.47 1.72 -0.29 -0.54 0.00 0.00 174.62 175.12 3eb6 h ILE 99 N 0.72 0.66 -0.63 2.99 6.09 -1.98 0.28 117.51 125.65 3eb6 h ILE 99 Ca -0.49 -0.11 0.13 0.00 -1.37 0.00 0.00 64.86 63.02 3eb6 h ILE 99 Cb 1.23 0.32 -0.12 0.00 0.47 0.00 0.00 36.82 38.72 3eb6 h ILE 99 CO 0.60 0.06 -0.17 -1.28 -3.07 0.00 0.00 178.15 174.28 3eb6 h SER 100 N 0.31 -0.64 0.28 2.19 0.87 -1.95 -1.19 113.55 113.43 3eb6 h SER 100 Ca 0.33 0.19 -0.07 0.00 -1.23 0.00 0.00 61.79 61.02 3eb6 h SER 100 Cb 0.48 0.41 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 3eb6 h SER 100 CO -0.39 -0.22 -0.32 0.50 -0.53 0.00 0.00 176.83 175.87 3eb6 h LYS 101 N -0.02 0.05 -0.13 2.24 3.64 -1.35 -2.84 116.57 118.16 3eb6 h LYS 101 Ca 0.30 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.57 3eb6 h LYS 101 Cb 0.48 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3eb6 h LYS 101 CO -0.66 0.37 -0.27 -0.39 -2.27 0.00 0.00 179.45 176.23 3eb6 h VAL 102 N 0.05 1.37 -0.60 2.00 -1.51 -0.40 -2.74 116.25 114.42 3eb6 h VAL 102 Ca 0.00 -1.54 0.12 0.00 -1.23 0.00 0.00 66.70 64.06 3eb6 h VAL 102 Cb 0.59 2.04 -0.11 0.00 -2.13 0.00 0.00 31.29 31.68 3eb6 h VAL 102 CO 0.04 0.45 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.68 3eb6 h LEU 103 N 0.01 -0.43 -0.33 4.19 3.38 -1.15 0.33 115.31 121.30 3eb6 h LEU 103 Ca 0.00 0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.21 3eb6 h LEU 103 Cb 0.86 0.32 -0.08 0.00 0.09 0.00 0.00 40.66 41.86 3eb6 h LEU 103 CO 0.06 -0.16 -0.21 -0.07 0.09 0.00 0.00 178.44 178.15 3eb6 h LEU 104 N 0.04 -0.69 -1.46 1.67 3.38 -1.43 0.70 115.31 117.52 3eb6 h LEU 104 Ca 0.30 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.35 3eb6 h LEU 104 Cb 0.47 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3eb6 h LEU 104 CO -0.57 -0.24 -0.27 0.77 0.09 0.00 0.00 178.44 178.22 3eb6 h SER 105 N -0.17 0.00 0.09 -0.43 4.64 -0.81 0.19 113.55 117.06 3eb6 h SER 105 Ca 0.17 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3eb6 h SER 105 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3eb6 h SER 105 CO -0.43 0.27 -0.04 0.40 -0.87 0.00 0.00 176.83 176.16 3eb6 h ILE 106 N 0.00 1.02 -0.15 0.95 2.04 0.25 0.78 117.51 122.39 3eb6 h ILE 106 Ca -0.00 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.49 3eb6 h ILE 106 Cb 0.52 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.81 3eb6 h ILE 106 CO 0.04 0.10 -0.54 0.00 0.00 0.00 0.00 178.15 177.74 3eb6 h SER 108 N -0.57 0.00 -0.33 0.00 4.64 -0.91 0.23 113.55 116.60 3eb6 h SER 108 Ca 0.04 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.25 3eb6 h SER 108 Cb 0.68 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 3eb6 h SER 108 CO -0.45 0.01 -0.18 0.25 -0.87 0.00 0.00 176.83 175.60 3eb6 h LEU 109 N 0.00 0.81 -1.20 5.97 5.85 0.61 -0.03 115.31 127.31 3eb6 h LEU 109 Ca -0.00 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 3eb6 h LEU 109 Cb 0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3eb6 h LEU 109 CO 0.00 0.98 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.82 3eb6 h LEU 110 N 0.71 0.31 -0.30 2.25 3.38 0.13 -2.57 115.31 119.22 3eb6 h LEU 110 Ca 0.11 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 3eb6 h LEU 110 Cb 0.69 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3eb6 h LEU 110 CO 0.05 0.52 -0.86 0.00 0.09 0.00 0.00 178.44 178.24 3eb6 s ASP 112 N -6.87 2.74 1.00 0.00 1.01 -0.05 -4.95 116.67 109.55 3eb6 s ASP 112 Ca -0.02 -2.02 0.00 0.00 0.71 0.00 0.00 52.55 51.22 3eb6 s ASP 112 Cb 0.11 -0.25 0.00 0.00 1.01 0.00 0.00 42.92 43.79 3eb6 s ASP 112 CO 0.81 -0.31 0.00 -2.65 0.21 0.00 0.00 175.17 173.23 3eb6 n PRO 113 N 4.17 -1.66 -4.27 8.23 -0.02 -0.99 -4.50 135.00 135.96 3eb6 n PRO 113 Ca 0.11 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.40 3eb6 n PRO 113 Cb 0.39 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.76 3eb6 n PRO 113 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3eb6 s ASN 114 N -1.83 2.15 -0.15 2.55 0.01 -1.26 -5.08 114.94 111.33 3eb6 s ASN 114 Ca 0.00 -0.84 0.07 0.00 -0.71 0.00 0.00 52.86 51.38 3eb6 s ASN 114 Cb 0.00 -0.09 -0.23 0.00 0.41 0.00 0.00 41.25 41.35 3eb6 s ASN 114 CO 0.00 -0.14 0.23 -0.81 -1.51 0.00 0.00 177.10 174.87 3eb6 n PRO 115 N 0.39 0.68 -0.00 -0.60 -0.04 -1.26 -4.42 135.00 129.75 3eb6 n PRO 115 Ca -0.14 0.17 0.04 0.00 -0.04 0.00 0.00 63.50 63.53 3eb6 n PRO 115 Cb 0.57 -1.64 -0.12 0.00 -0.04 0.00 0.00 33.50 32.27 3eb6 n PRO 115 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3eb6 n ASP 116 N -3.11 0.31 0.12 3.54 -0.08 -1.26 -4.54 116.55 111.54 3eb6 n ASP 116 Ca -0.31 0.13 0.12 0.00 -1.51 0.00 0.00 54.79 53.22 3eb6 n ASP 116 Cb 1.07 1.16 0.09 0.00 2.34 0.00 0.00 41.12 45.78 3eb6 n ASP 116 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3eb6 h ASP 117 N 0.00 0.00 0.00 1.67 3.32 -2.00 -3.49 116.42 115.92 3eb6 h ASP 117 Ca -0.15 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3eb6 h ASP 117 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 3eb6 h ASP 117 CO 0.02 0.02 0.00 -2.65 -1.72 0.00 0.00 179.24 174.91 3eb6 n PRO 118 N -2.64 0.00 -0.03 3.56 -0.02 -1.26 -4.83 135.00 129.78 3eb6 n PRO 118 Ca 0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.37 3eb6 n PRO 118 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.90 3eb6 n PRO 118 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3eb6 h LEU 119 N 0.00 0.11 -7.89 2.45 6.46 -1.55 -3.39 115.31 111.50 3eb6 h LEU 119 Ca 0.00 -0.52 -0.72 0.00 -0.12 0.00 0.00 57.88 56.52 3eb6 h LEU 119 Cb 0.00 -0.03 -0.31 0.00 -0.73 0.00 0.00 40.66 39.59 3eb6 h LEU 119 CO 0.00 0.61 -0.41 -0.69 -0.62 0.00 0.00 178.44 177.33 3eb6 s VAL 120 N -4.12 3.99 0.50 1.05 1.01 -0.19 -4.95 120.40 117.69 3eb6 s VAL 120 Ca -0.16 -1.97 0.24 0.00 0.00 0.00 0.00 61.98 60.09 3eb6 s VAL 120 Cb 0.02 -3.65 0.28 0.00 0.00 0.00 0.00 36.38 33.04 3eb6 s VAL 120 CO 0.70 -0.77 2.13 -0.65 0.00 0.00 0.00 175.10 176.50 3eb6 h PRO 121 N 8.22 0.00 -0.67 2.72 0.11 -1.86 -1.46 132.00 139.07 3eb6 h PRO 121 Ca -0.17 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.07 3eb6 h PRO 121 Cb 1.06 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.08 3eb6 h PRO 121 CO 0.81 0.08 0.22 0.93 -0.21 0.00 0.00 178.00 179.82 3eb6 h GLU 122 N 0.00 0.35 0.14 1.05 4.39 -1.97 -3.00 114.58 115.55 3eb6 h GLU 122 Ca -0.00 -0.02 -0.26 0.00 0.34 0.00 0.00 59.36 59.41 3eb6 h GLU 122 Cb 0.18 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3eb6 h GLU 122 CO 0.01 0.23 -1.29 0.82 -1.16 0.00 0.00 179.01 177.63 3eb6 h ILE 123 N 0.36 1.18 -0.57 3.13 2.04 -1.65 -3.37 117.51 118.62 3eb6 h ILE 123 Ca 0.36 -2.48 0.11 0.00 1.00 0.00 0.00 64.86 63.86 3eb6 h ILE 123 Cb 0.53 2.89 -0.09 0.00 -0.74 0.00 0.00 36.82 39.40 3eb6 h ILE 123 CO -0.39 0.73 0.04 0.00 0.00 0.00 0.00 178.15 178.53 3eb6 h ALA 124 N 0.02 0.60 -0.58 1.87 0.00 -1.42 -1.75 119.26 118.00 3eb6 h ALA 124 Ca -0.26 0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3eb6 h ALA 124 Cb 1.80 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 19.80 3eb6 h ALA 124 CO 0.12 -0.36 0.33 0.07 0.00 0.00 0.00 179.25 179.40 3eb6 h ARG 125 N 0.16 0.61 -0.78 0.00 0.11 -1.70 0.13 114.38 112.92 3eb6 h ARG 125 Ca 0.30 -0.04 -0.04 0.00 0.10 0.00 0.00 59.98 60.30 3eb6 h ARG 125 Cb 0.46 -0.14 -0.04 0.00 1.11 0.00 0.00 29.97 31.37 3eb6 h ARG 125 CO -0.45 0.41 0.33 0.82 0.10 0.00 0.00 179.97 181.18 3eb6 h ILE 126 N 0.63 1.25 -0.58 0.08 1.08 -1.58 -2.86 117.51 115.53 3eb6 h ILE 126 Ca 0.25 -0.77 -0.09 0.00 -0.39 0.00 0.00 64.86 63.86 3eb6 h ILE 126 Cb 0.10 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 3eb6 h ILE 126 CO -0.14 0.32 0.00 0.22 -0.69 0.00 0.00 178.15 177.86 3eb6 h TYR 127 N 1.12 1.11 -0.52 1.37 3.20 -0.42 -2.81 116.97 120.02 3eb6 h TYR 127 Ca 0.26 -0.19 0.05 0.00 3.14 0.00 0.00 58.73 61.99 3eb6 h TYR 127 Cb 0.17 -0.29 -0.08 0.00 1.54 0.00 0.00 36.73 38.08 3eb6 h TYR 127 CO 0.02 0.99 -0.44 0.87 -1.64 0.00 0.00 178.16 177.96 3eb6 h LYS 128 N 0.91 -0.16 -0.46 1.82 1.79 -0.54 -3.27 116.57 116.66 3eb6 h LYS 128 Ca 0.16 0.01 -0.27 0.00 -2.18 0.00 0.00 60.65 58.37 3eb6 h LYS 128 Cb 0.55 0.04 -0.40 0.00 -1.58 0.00 0.00 32.23 30.83 3eb6 h LYS 128 CO 0.03 -0.11 -1.08 2.41 -1.08 0.00 0.00 179.45 179.62 3eb6 n THR 129 N -4.75 1.39 -2.85 -0.16 -1.04 -1.26 -4.86 114.28 100.75 3eb6 n THR 129 Ca -0.01 -3.03 -0.11 0.00 -2.04 0.00 0.00 64.05 58.85 3eb6 n THR 129 Cb 0.23 1.02 0.06 0.00 -1.82 0.00 0.00 70.33 69.82 3eb6 n THR 129 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3eb6 n ASP 130 N -0.59 -1.42 0.01 8.00 4.64 -1.06 -5.00 116.55 121.13 3eb6 n ASP 130 Ca 0.11 -3.47 -0.11 0.00 -1.38 0.00 0.00 54.79 49.95 3eb6 n ASP 130 Cb 0.83 1.18 -0.05 0.00 -1.04 0.00 0.00 41.12 42.03 3eb6 n ASP 130 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 3eb6 h ARG 131 N 2.97 -0.00 -0.14 -0.67 2.47 -1.71 -1.97 114.38 115.33 3eb6 h ARG 131 Ca -0.05 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3eb6 h ARG 131 Cb 1.07 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.38 3eb6 h ARG 131 CO 0.23 -0.00 -0.08 -1.91 0.56 0.00 0.00 179.97 178.76 3eb6 n GLU 132 N -5.13 -0.06 0.13 0.04 4.07 -1.26 -0.54 120.64 117.89 3eb6 n GLU 132 Ca -0.05 0.38 -0.14 0.00 -0.06 0.00 0.00 57.16 57.29 3eb6 n GLU 132 Cb 0.07 -0.57 -0.08 0.00 -0.06 0.00 0.00 31.44 30.80 3eb6 n GLU 132 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 3eb6 h LYS 133 N 0.00 -0.30 -0.61 5.31 3.64 -1.84 -3.17 116.57 119.60 3eb6 h LYS 133 Ca 0.02 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 3eb6 h LYS 133 Cb 0.06 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 31.85 3eb6 h LYS 133 CO -0.13 -0.06 -0.54 -0.92 -2.27 0.00 0.00 179.45 175.52 3eb6 h TYR 134 N -0.49 -1.68 -0.43 1.91 5.03 -0.04 -2.09 116.97 119.18 3eb6 h TYR 134 Ca -0.03 0.10 -0.00 0.00 2.58 0.00 0.00 58.73 61.37 3eb6 h TYR 134 Cb 0.37 0.81 -0.02 0.00 1.55 0.00 0.00 36.73 39.44 3eb6 h TYR 134 CO -0.01 -0.45 0.25 -0.91 -1.32 0.00 0.00 178.16 175.72 3eb6 h ASN 135 N -0.26 0.50 0.32 -2.11 2.35 -0.97 -0.10 115.58 115.32 3eb6 h ASN 135 Ca 0.12 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3eb6 h ASN 135 Cb 0.54 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3eb6 h ASN 135 CO -0.71 0.40 -0.31 -0.09 -1.65 0.00 0.00 177.43 175.07 3eb6 h ARG 136 N 0.58 -0.62 -0.43 0.81 2.43 -1.35 0.18 114.38 115.98 3eb6 h ARG 136 Ca 0.15 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3eb6 h ARG 136 Cb -0.01 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3eb6 h ARG 136 CO -0.03 -0.42 0.12 0.82 -1.51 0.00 0.00 179.97 178.95 3eb6 h ILE 137 N -0.65 1.19 0.48 1.20 5.03 -1.19 0.18 117.51 123.75 3eb6 h ILE 137 Ca -0.02 -0.65 -0.02 0.00 -0.12 0.00 0.00 64.86 64.05 3eb6 h ILE 137 Cb 0.59 0.74 0.00 0.00 -3.03 0.00 0.00 36.82 35.12 3eb6 h ILE 137 CO -0.05 0.24 -0.23 0.00 -0.68 0.00 0.00 178.15 177.42 3eb6 h ALA 138 N 1.51 -0.65 -0.22 1.87 0.00 -0.63 -1.22 119.26 119.92 3eb6 h ALA 138 Ca 0.14 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3eb6 h ALA 138 Cb 0.22 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3eb6 h ALA 138 CO -0.01 -0.85 -0.23 0.00 0.00 0.00 0.00 179.25 178.17 3eb6 h ARG 139 N -0.67 0.41 -0.52 0.00 3.08 -0.46 -2.31 114.38 113.91 3eb6 h ARG 139 Ca -0.07 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.86 3eb6 h ARG 139 Cb 0.51 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 3eb6 h ARG 139 CO 0.11 0.61 0.34 1.49 -1.07 0.00 0.00 179.97 181.45 3eb6 h GLU 140 N 0.37 0.66 -0.52 0.04 4.81 -0.44 0.10 114.58 119.60 3eb6 h GLU 140 Ca 0.06 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 3eb6 h GLU 140 Cb 0.60 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3eb6 h GLU 140 CO 0.04 0.44 -0.15 -1.49 -0.73 0.00 0.00 179.01 177.12 3eb6 h TRP 141 N 0.68 1.14 -0.31 0.92 4.06 -1.09 -1.63 115.95 119.72 3eb6 h TRP 141 Ca 0.20 -0.25 0.06 0.00 2.06 0.00 0.00 58.89 60.96 3eb6 h TRP 141 Cb -0.05 -0.28 -0.06 0.00 -1.00 0.00 0.00 29.16 27.77 3eb6 h TRP 141 CO -0.05 1.07 -0.10 1.15 -3.56 0.00 0.00 178.44 176.96 3eb6 h THR 142 N 0.89 0.65 -0.10 1.49 2.02 -0.80 0.11 112.91 117.17 3eb6 h THR 142 Ca 0.13 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.35 3eb6 h THR 142 Cb 0.72 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.72 3eb6 h THR 142 CO 0.06 0.00 -0.38 1.56 0.37 0.00 0.00 175.52 177.12 3eb6 h GLN 143 N -0.03 -0.46 -0.15 6.66 1.08 -0.57 -1.26 115.11 120.38 3eb6 h GLN 143 Ca 0.15 0.03 -0.17 0.00 -1.45 0.00 0.00 58.65 57.21 3eb6 h GLN 143 Cb 0.26 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 3eb6 h GLN 143 CO -0.33 -0.31 -0.61 0.87 -0.95 0.00 0.00 178.83 177.50 3eb6 h LYS 144 N -0.48 0.52 0.00 1.46 1.57 -0.39 -3.37 116.57 115.89 3eb6 h LYS 144 Ca 0.08 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3eb6 h LYS 144 Cb 0.61 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3eb6 h LYS 144 CO -0.36 0.97 -0.93 0.66 -0.57 0.00 0.00 179.45 179.21 3eb6 n TYR 145 N -3.92 0.00 -0.02 -1.35 4.01 0.30 -4.85 117.16 111.33 3eb6 n TYR 145 Ca -0.04 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.61 3eb6 n TYR 145 Cb 0.64 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.59 3eb6 n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3eb6 h ALA 146 N 0.00 -0.08 -0.02 -0.72 0.00 -1.27 -3.45 119.26 113.73 3eb6 h ALA 146 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3eb6 h ALA 146 Cb 0.93 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3eb6 h ALA 146 CO 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.13