#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bys h HIS 1 N 0.00 0.73 -0.98 1.96 3.86 -2.06 -1.96 115.15 116.71 2bys h HIS 1 Ca 0.00 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.29 2bys h HIS 1 Cb 0.00 -0.20 -0.06 0.00 1.06 0.00 0.00 27.41 28.21 2bys h HIS 1 CO 0.00 -0.03 0.64 0.66 0.86 0.00 0.00 177.93 180.06 2bys h SER 2 N 0.35 1.03 0.14 2.45 4.64 -1.99 -1.57 113.55 118.61 2bys h SER 2 Ca 0.67 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.81 2bys h SER 2 Cb 1.69 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.55 2bys h SER 2 CO -0.40 0.69 -0.66 1.56 -0.87 0.00 0.00 176.83 177.15 2bys h GLN 3 N 1.19 0.49 0.00 4.77 4.20 -1.80 -2.50 115.11 121.45 2bys h GLN 3 Ca 0.40 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2bys h GLN 3 Cb 0.09 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2bys h GLN 3 CO -0.14 0.98 -0.05 0.00 -0.67 0.00 0.00 178.83 178.96 2bys n ALA 4 N -2.52 2.39 0.13 3.87 0.00 -1.09 -1.90 120.51 121.39 2bys n ALA 4 Ca -0.04 -0.09 -0.24 0.00 0.00 0.00 0.00 53.44 53.07 2bys n ALA 4 Cb 0.67 -1.44 -0.15 0.00 0.00 0.00 0.00 19.45 18.53 2bys n ALA 4 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2bys h ASN 5 N 0.00 0.86 -0.11 0.00 2.35 -1.14 -3.10 115.58 114.45 2bys h ASN 5 Ca 0.00 -0.87 -0.04 0.00 -0.55 0.00 0.00 56.30 54.84 2bys h ASN 5 Cb 0.59 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 2bys h ASN 5 CO 0.00 1.68 -0.09 0.25 -1.65 0.00 0.00 177.43 177.62 2bys h LEU 6 N 0.20 0.27 -0.42 1.61 5.85 -1.33 -1.84 115.31 119.64 2bys h LEU 6 Ca -0.23 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.03 2bys h LEU 6 Cb 2.08 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 43.04 2bys h LEU 6 CO 0.26 0.67 0.00 0.23 -0.34 0.00 0.00 178.44 179.26 2bys n MET 7 N -4.66 0.13 0.05 1.25 2.81 -0.80 0.26 117.12 116.16 2bys n MET 7 Ca -0.07 0.35 -0.06 0.00 -1.81 0.00 0.00 57.70 56.11 2bys n MET 7 Cb 0.31 -1.74 -0.10 0.00 -0.71 0.00 0.00 33.22 30.98 2bys n MET 7 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2bys h ARG 8 N 0.00 0.00 0.01 0.03 2.43 -1.43 -2.81 114.38 112.61 2bys h ARG 8 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2bys h ARG 8 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2bys h ARG 8 CO 0.00 0.79 -0.01 1.25 -1.51 0.00 0.00 179.97 180.50 2bys h LEU 9 N 0.00 -0.01 -0.93 3.80 5.85 -0.40 -2.76 115.31 120.86 2bys h LEU 9 Ca -0.08 -0.34 0.15 0.00 0.84 0.00 0.00 57.88 58.46 2bys h LEU 9 Cb 1.76 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.70 2bys h LEU 9 CO 0.11 0.65 0.54 0.11 -0.34 0.00 0.00 178.44 179.50 2bys h LYS 10 N -1.00 0.74 -0.18 1.25 1.57 -0.36 0.46 116.57 119.05 2bys h LYS 10 Ca -0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2bys h LYS 10 Cb 0.35 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2bys h LYS 10 CO 0.00 0.49 0.05 1.03 -0.57 0.00 0.00 179.45 180.45 2bys h SER 11 N 0.76 0.26 0.38 0.86 0.87 -1.64 -1.64 113.55 113.40 2bys h SER 11 Ca 0.50 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.77 2bys h SER 11 Cb 0.68 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2bys h SER 11 CO -0.34 0.41 -0.38 0.44 -0.53 0.00 0.00 176.83 176.43 2bys h ASP 12 N 0.11 0.00 0.17 6.23 3.45 -0.97 -1.02 116.42 124.39 2bys h ASP 12 Ca 0.06 -0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.27 2bys h ASP 12 Cb 0.24 -0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.04 2bys h ASP 12 CO -0.00 0.38 -1.08 -0.07 -1.57 0.00 0.00 179.24 176.89 2bys h LEU 13 N 0.00 0.65 0.00 1.55 3.38 -0.95 -3.37 115.31 116.57 2bys h LEU 13 Ca -0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 2bys h LEU 13 Cb 0.67 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2bys h LEU 13 CO 0.05 1.52 -0.34 -0.26 0.09 0.00 0.00 178.44 179.50 2bys h PHE 14 N -0.10 0.00 -0.43 1.13 0.05 -1.21 -3.35 116.94 113.03 2bys h PHE 14 Ca -0.18 0.00 0.13 0.00 3.82 0.00 0.00 57.97 61.73 2bys h PHE 14 Cb 1.84 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 39.77 2bys h PHE 14 CO 0.16 0.00 0.59 -0.91 -0.18 0.00 0.00 178.31 177.97 2bys h ASN 15 N -0.79 0.00 -2.48 2.17 4.21 -1.36 -3.51 115.58 113.82 2bys h ASN 15 Ca 0.00 0.00 -0.42 0.00 1.21 0.00 0.00 56.30 57.09 2bys h ASN 15 Cb 0.34 0.00 -0.37 0.00 -1.12 0.00 0.00 38.32 37.17 2bys h ASN 15 CO 0.00 0.00 -0.70 0.00 -1.29 0.00 0.00 177.43 175.44 2bys s ARG 16 N -4.47 0.25 0.00 0.81 1.70 -1.25 -5.09 118.95 110.90 2bys s ARG 16 Ca -0.04 -0.27 0.00 0.00 -0.47 0.00 0.00 55.73 54.95 2bys s ARG 16 Cb 0.13 -0.95 0.00 0.00 -0.57 0.00 0.00 34.95 33.56 2bys s ARG 16 CO 0.46 -0.98 0.00 0.98 -1.08 0.00 0.00 175.30 174.68 2bys n TYR 20 N 5.28 0.00 1.38 5.89 9.36 -1.26 -4.93 117.16 132.89 2bys n TYR 20 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 2bys n TYR 20 Cb 0.45 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.16 2bys n TYR 20 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2bys n PRO 21 N 0.00 0.98 0.00 2.98 -0.04 -1.26 -4.91 135.00 132.75 2bys n PRO 21 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2bys n PRO 21 Cb 0.00 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 2bys n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bys n GLY 22 N 0.20 -0.38 3.80 0.55 0.00 -1.26 -5.00 105.19 103.10 2bys n GLY 22 Ca 0.00 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 2bys n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bys s PRO 23 N -1.96 2.77 0.32 1.61 0.04 -1.26 -5.03 135.00 131.50 2bys s PRO 23 Ca 0.00 1.09 0.03 0.00 0.04 0.00 0.00 61.00 62.16 2bys s PRO 23 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2bys s PRO 23 CO 0.00 -1.24 0.11 0.95 0.04 0.00 0.00 177.00 176.87 2bys s THR 24 N -2.85 0.63 0.49 1.26 -4.23 -0.32 -4.93 115.64 105.69 2bys s THR 24 Ca 0.61 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.28 2bys s THR 24 Cb -0.16 -2.57 0.24 0.00 1.34 0.00 0.00 72.50 71.35 2bys s THR 24 CO 0.51 0.00 2.09 0.50 -0.54 0.00 0.00 174.62 177.18 2bys h LYS 25 N 2.14 0.00 0.00 3.99 3.64 -1.93 0.22 116.57 124.64 2bys h LYS 25 Ca -0.37 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2bys h LYS 25 Cb 1.25 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2bys h LYS 25 CO 0.59 0.08 -0.02 -0.44 -2.27 0.00 0.00 179.45 177.39 2bys h ASP 26 N 0.00 0.00 -2.07 4.20 3.32 -1.95 -3.38 116.42 116.53 2bys h ASP 26 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2bys h ASP 26 Cb 0.15 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.30 2bys h ASP 26 CO 0.01 0.02 -0.93 -0.67 -1.72 0.00 0.00 179.24 175.95 2bys n ASP 27 N -3.11 1.57 -4.83 6.45 2.03 0.66 -5.11 116.55 114.20 2bys n ASP 27 Ca 0.04 -3.00 -0.32 0.00 0.52 0.00 0.00 54.79 52.02 2bys n ASP 27 Cb 0.52 -0.64 -0.02 0.00 -0.72 0.00 0.00 41.12 40.26 2bys n ASP 27 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2bys s PRO 28 N -1.81 3.76 0.03 -0.67 0.05 -0.56 -1.17 135.00 134.63 2bys s PRO 28 Ca 0.38 1.00 0.04 0.00 0.05 0.00 0.00 61.00 62.46 2bys s PRO 28 Cb 0.18 -2.10 -0.02 0.00 0.05 0.00 0.00 34.50 32.61 2bys s PRO 28 CO -0.08 -0.44 -0.11 -1.17 0.05 0.00 0.00 177.00 175.26 2bys s LEU 29 N -4.28 2.18 -0.13 -3.56 2.96 -0.57 -4.94 118.68 110.34 2bys s LEU 29 Ca 0.60 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 2bys s LEU 29 Cb -0.12 -0.41 0.01 0.00 0.50 0.00 0.00 46.19 46.17 2bys s LEU 29 CO 0.35 -0.04 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.23 2bys s THR 30 N -0.91 2.11 -0.20 3.68 2.01 -1.26 -0.55 115.64 120.52 2bys s THR 30 Ca -0.02 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.97 2bys s THR 30 Cb -0.08 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 2bys s THR 30 CO 0.01 0.55 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.76 2bys s VAL 31 N 0.73 3.53 -0.06 3.82 1.01 -0.01 -4.53 120.40 124.88 2bys s VAL 31 Ca -0.09 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 2bys s VAL 31 Cb -0.16 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2bys s VAL 31 CO 0.00 0.44 0.63 -0.89 0.00 0.00 0.00 175.10 175.28 2bys s THR 32 N 1.17 5.03 0.09 3.92 2.01 -0.33 -1.68 115.64 125.85 2bys s THR 32 Ca 0.02 1.30 0.09 0.00 0.31 0.00 0.00 61.69 63.41 2bys s THR 32 Cb -0.14 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2bys s THR 32 CO -0.00 0.31 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.23 2bys s LEU 33 N 0.51 2.26 -0.27 4.42 1.43 0.72 -1.48 118.68 126.26 2bys s LEU 33 Ca 0.34 -0.66 -0.24 0.00 -1.03 0.00 0.00 54.13 52.53 2bys s LEU 33 Cb -0.17 -1.09 0.07 0.00 0.03 0.00 0.00 46.19 45.03 2bys s LEU 33 CO 0.16 0.16 0.73 -0.83 0.23 0.00 0.00 176.35 176.80 2bys s GLY 34 N -1.71 -0.54 -0.04 -3.19 0.00 -0.87 -4.33 107.32 96.65 2bys s GLY 34 Ca 0.10 2.09 0.03 0.00 0.00 0.00 0.00 44.72 46.94 2bys s GLY 34 CO 0.04 1.82 -0.10 -1.36 0.00 0.00 0.00 173.10 173.50 2bys s PHE 35 N 0.50 2.83 -0.35 1.90 0.08 -1.26 -0.68 117.98 121.01 2bys s PHE 35 Ca -0.01 -0.06 0.02 0.00 0.12 0.00 0.00 56.93 57.00 2bys s PHE 35 Cb -0.05 -1.64 0.10 0.00 -0.57 0.00 0.00 43.02 40.85 2bys s PHE 35 CO -0.01 0.30 0.07 0.99 -0.10 0.00 0.00 175.22 176.47 2bys s THR 36 N -0.85 2.54 -0.29 0.64 2.01 -0.37 -1.35 115.64 117.97 2bys s THR 36 Ca 0.14 -2.17 -0.29 0.00 0.31 0.00 0.00 61.69 59.68 2bys s THR 36 Cb -0.11 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 69.62 2bys s THR 36 CO 0.03 -0.55 1.17 -0.22 -0.69 0.00 0.00 174.62 174.36 2bys s LEU 37 N 0.99 3.95 -0.08 4.42 2.96 -0.90 -1.59 118.68 128.44 2bys s LEU 37 Ca 0.08 1.19 0.04 0.00 -0.22 0.00 0.00 54.13 55.22 2bys s LEU 37 Cb -0.20 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.70 2bys s LEU 37 CO -0.06 -0.92 0.53 0.00 -1.32 0.00 0.00 176.35 174.58 2bys n GLN 38 N 6.95 0.69 -3.61 1.98 6.02 0.08 -3.55 117.38 125.94 2bys n GLN 38 Ca 0.13 0.28 -0.10 0.00 -0.01 0.00 0.00 57.00 57.30 2bys n GLN 38 Cb 0.47 -1.76 -0.06 0.00 1.02 0.00 0.00 30.24 29.91 2bys n GLN 38 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2bys s ASP 39 N -6.50 -0.43 -0.41 1.08 2.15 -0.70 0.05 116.67 111.91 2bys s ASP 39 Ca -0.12 0.71 -0.15 0.00 0.43 0.00 0.00 52.55 53.41 2bys s ASP 39 Cb 0.07 0.68 0.02 0.00 -0.30 0.00 0.00 42.92 43.39 2bys s ASP 39 CO 0.80 -0.23 0.31 -0.63 -0.17 0.00 0.00 175.17 175.25 2bys s ILE 40 N -0.27 5.24 -0.03 4.11 1.01 -1.26 -0.56 121.20 129.44 2bys s ILE 40 Ca 0.01 -0.59 -0.17 0.00 0.00 0.00 0.00 60.65 59.90 2bys s ILE 40 Cb -0.03 -3.93 -0.32 0.00 0.01 0.00 0.00 42.46 38.19 2bys s ILE 40 CO -0.03 -0.30 0.85 0.58 0.00 0.00 0.00 174.94 176.04 2bys h VAL 41 N 5.63 1.26 -2.28 2.92 2.07 -1.60 -3.41 116.25 120.83 2bys h VAL 41 Ca -0.27 -2.57 -0.07 0.00 0.82 0.00 0.00 66.70 64.60 2bys h VAL 41 Cb 1.12 3.00 -0.22 0.00 -1.52 0.00 0.00 31.29 33.67 2bys h VAL 41 CO 0.73 0.77 0.00 -0.75 0.02 0.00 0.00 177.57 178.35 2bys s LYS 42 N -2.52 0.73 -0.11 1.57 2.20 -1.23 -4.88 119.74 115.50 2bys s LYS 42 Ca -0.13 0.75 0.01 0.00 -0.36 0.00 0.00 55.97 56.24 2bys s LYS 42 Cb 0.03 0.36 0.02 0.00 -1.51 0.00 0.00 37.83 36.73 2bys s LYS 42 CO 0.87 -0.11 -0.11 0.00 -0.36 0.00 0.00 175.35 175.64 2bys s ALA 43 N 0.13 1.47 -0.32 3.13 0.00 -1.26 -0.92 121.76 123.99 2bys s ALA 43 Ca -0.01 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 2bys s ALA 43 Cb -0.04 -0.85 0.06 0.00 0.00 0.00 0.00 23.12 22.29 2bys s ALA 43 CO 0.02 -0.24 0.04 0.34 0.00 0.00 0.00 175.76 175.92 2bys s ASP 44 N 1.32 4.98 0.00 0.00 -1.08 0.11 -4.97 116.67 117.03 2bys s ASP 44 Ca -0.01 -1.38 0.28 0.00 -0.52 0.00 0.00 52.55 50.91 2bys s ASP 44 Cb -0.14 -1.74 1.03 0.00 -1.46 0.00 0.00 42.92 40.61 2bys s ASP 44 CO -0.05 -0.31 1.73 -1.54 0.52 0.00 0.00 175.17 175.52 2bys n SER 45 N 4.63 1.47 0.12 -0.34 3.41 -1.26 -0.38 113.62 121.27 2bys n SER 45 Ca -0.11 -1.46 0.08 0.00 -0.26 0.00 0.00 58.87 57.12 2bys n SER 45 Cb 0.43 0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.41 2bys n SER 45 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2bys h SER 46 N 2.28 0.00 0.00 4.04 4.64 -1.96 -3.39 113.55 119.17 2bys h SER 46 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bys h SER 46 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2bys h SER 46 CO 0.00 0.20 0.00 0.35 -0.87 0.00 0.00 176.83 176.51 2bys n THR 47 N -2.89 0.00 -3.59 2.95 -2.24 -1.22 -5.05 114.28 102.24 2bys n THR 47 Ca -0.01 -0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.17 2bys n THR 47 Cb 0.64 1.07 0.05 0.00 -2.10 0.00 0.00 70.33 69.98 2bys n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2bys n ASN 48 N -0.55 -3.34 -4.26 3.42 3.02 0.49 -4.93 115.26 109.11 2bys n ASN 48 Ca 0.00 -0.84 -0.30 0.00 -0.03 0.00 0.00 54.58 53.41 2bys n ASN 48 Cb 0.02 -4.18 -0.16 0.00 -0.61 0.00 0.00 39.78 34.85 2bys n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2bys s GLU 49 N -5.62 2.15 -0.02 3.52 2.02 -0.90 -1.06 118.70 118.79 2bys s GLU 49 Ca 0.21 -0.86 0.06 0.00 0.02 0.00 0.00 54.97 54.40 2bys s GLU 49 Cb -0.05 -1.96 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 2bys s GLU 49 CO 0.81 0.45 -0.20 0.08 0.02 0.00 0.00 175.26 176.42 2bys s VAL 50 N -0.38 1.59 -0.20 2.63 1.01 -0.74 0.06 120.40 124.36 2bys s VAL 50 Ca 0.04 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 2bys s VAL 50 Cb -0.11 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 2bys s VAL 50 CO 0.01 0.45 0.01 -1.81 0.00 0.00 0.00 175.10 173.76 2bys s ASP 51 N -0.39 4.98 0.04 3.32 1.11 -0.10 -1.26 116.67 124.37 2bys s ASP 51 Ca 0.06 -0.15 0.05 0.00 0.18 0.00 0.00 52.55 52.68 2bys s ASP 51 Cb -0.09 -1.85 -0.04 0.00 1.07 0.00 0.00 42.92 42.02 2bys s ASP 51 CO -0.00 0.08 -0.08 -0.76 1.18 0.00 0.00 175.17 175.59 2bys s LEU 52 N 0.91 3.13 -0.14 1.23 1.43 0.23 -1.42 118.68 124.05 2bys s LEU 52 Ca 0.02 -0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2bys s LEU 52 Cb -0.14 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 2bys s LEU 52 CO 0.02 0.24 -0.14 -0.69 0.23 0.00 0.00 176.35 176.01 2bys s VAL 53 N -1.09 2.88 0.24 -1.59 1.01 0.28 -0.97 120.40 121.16 2bys s VAL 53 Ca 0.19 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 2bys s VAL 53 Cb -0.11 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.07 2bys s VAL 53 CO 0.10 0.52 0.59 -0.72 0.00 0.00 0.00 175.10 175.59 2bys s TYR 54 N 0.61 -0.01 0.00 5.22 -0.85 -0.89 -0.74 117.35 120.68 2bys s TYR 54 Ca -0.08 -0.38 0.07 0.00 -0.52 0.00 0.00 57.07 56.16 2bys s TYR 54 Cb -0.16 0.46 -0.02 0.00 0.38 0.00 0.00 41.96 42.63 2bys s TYR 54 CO 0.03 -1.07 -0.21 1.52 -1.52 0.00 0.00 175.55 174.30 2bys s TYR 55 N -3.93 1.84 -0.32 -3.49 -0.85 -0.62 -1.11 117.35 108.86 2bys s TYR 55 Ca 0.14 -0.36 -0.06 0.00 -0.52 0.00 0.00 57.07 56.27 2bys s TYR 55 Cb -0.03 -1.16 0.04 0.00 0.38 0.00 0.00 41.96 41.19 2bys s TYR 55 CO 0.04 0.00 0.08 -2.00 -1.52 0.00 0.00 175.55 172.16 2bys s GLU 56 N -0.68 2.68 -0.06 -3.49 2.12 -0.73 -1.24 118.70 117.30 2bys s GLU 56 Ca 0.08 -1.13 -0.26 0.00 0.36 0.00 0.00 54.97 54.01 2bys s GLU 56 Cb -0.08 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 2bys s GLU 56 CO -0.00 -0.62 0.84 -1.14 -0.54 0.00 0.00 175.26 173.80 2bys s GLN 57 N 1.40 4.46 -0.04 4.30 0.74 0.15 -3.19 119.66 127.47 2bys s GLN 57 Ca -0.01 1.12 0.05 0.00 0.05 0.00 0.00 55.36 56.57 2bys s GLN 57 Cb -0.19 -3.48 -0.01 0.00 1.10 0.00 0.00 33.01 30.43 2bys s GLN 57 CO 0.02 -0.06 -0.19 -0.65 -0.55 0.00 0.00 175.29 173.86 2bys s GLN 58 N 1.16 1.90 0.00 1.67 -0.21 0.12 -2.05 119.66 122.26 2bys s GLN 58 Ca 0.43 -0.69 0.02 0.00 0.02 0.00 0.00 55.36 55.15 2bys s GLN 58 Cb -0.19 -1.67 -0.01 0.00 1.00 0.00 0.00 33.01 32.14 2bys s GLN 58 CO 0.21 0.31 -0.07 1.03 -2.12 0.00 0.00 175.29 174.64 2bys s ARG 59 N -0.10 0.56 0.23 2.91 3.00 -0.55 -1.34 118.95 123.67 2bys s ARG 59 Ca -0.02 -0.32 -0.22 0.00 0.00 0.00 0.00 55.73 55.17 2bys s ARG 59 Cb -0.11 -0.53 0.04 0.00 0.00 0.00 0.00 34.95 34.35 2bys s ARG 59 CO 0.02 0.14 0.76 1.67 0.00 0.00 0.00 175.30 177.89 2bys s TRP 60 N -0.31 -0.22 0.00 -0.53 -2.14 -0.95 -1.19 118.94 113.60 2bys s TRP 60 Ca 0.01 -0.17 0.01 0.00 2.66 0.00 0.00 56.10 58.61 2bys s TRP 60 Cb -0.04 0.67 -0.01 0.00 -3.10 0.00 0.00 33.47 31.00 2bys s TRP 60 CO -0.00 -1.10 -0.04 0.21 -2.66 0.00 0.00 176.95 173.36 2bys s LYS 61 N -3.75 0.32 -0.02 3.25 2.20 -1.26 0.39 119.74 120.86 2bys s LYS 61 Ca 0.10 -0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 2bys s LYS 61 Cb -0.04 -0.27 0.01 0.00 -1.51 0.00 0.00 37.83 36.01 2bys s LYS 61 CO 0.03 0.07 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.54 2bys s LEU 62 N -0.30 1.73 0.41 5.43 1.43 -0.20 -4.93 118.68 122.26 2bys s LEU 62 Ca -0.01 -0.09 0.18 0.00 -1.03 0.00 0.00 54.13 53.19 2bys s LEU 62 Cb -0.03 -0.29 0.91 0.00 0.03 0.00 0.00 46.19 46.81 2bys s LEU 62 CO -0.00 0.01 1.87 0.78 0.23 0.00 0.00 176.35 179.24 2bys h ASN 63 N 6.46 0.00 -0.37 2.29 4.21 -1.89 -3.08 115.58 123.20 2bys h ASN 63 Ca -0.33 0.00 0.09 0.00 1.21 0.00 0.00 56.30 57.28 2bys h ASN 63 Cb 1.17 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.36 2bys h ASN 63 CO 0.49 0.30 0.26 0.77 -1.29 0.00 0.00 177.43 177.96 2bys h SER 64 N 0.00 0.07 -0.73 5.81 4.64 -1.95 -2.53 113.55 118.85 2bys h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bys h SER 64 Cb 0.62 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2bys h SER 64 CO 0.04 0.04 0.00 0.18 -0.87 0.00 0.00 176.83 176.22 2bys n LEU 65 N -4.45 4.06 -4.81 5.97 4.77 -1.16 -4.99 117.00 116.39 2bys n LEU 65 Ca 0.06 -2.03 -0.33 0.00 -0.03 0.00 0.00 56.01 53.67 2bys n LEU 65 Cb 0.39 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 2bys n LEU 65 CO 0.35 0.97 0.71 -0.04 -1.33 0.00 0.00 177.39 178.05 2bys s MET 66 N -1.11 3.60 0.32 3.23 -1.94 -0.96 -4.26 119.30 118.18 2bys s MET 66 Ca 0.50 1.19 -0.10 0.00 -1.71 0.00 0.00 55.69 55.58 2bys s MET 66 Cb 0.27 -2.07 0.01 0.00 2.01 0.00 0.00 34.83 35.04 2bys s MET 66 CO 0.33 -0.58 0.55 1.67 -0.01 0.00 0.00 175.02 176.98 2bys s TRP 67 N -2.35 0.58 -0.38 -0.03 -2.14 -0.94 -4.97 118.94 108.72 2bys s TRP 67 Ca 0.64 -0.96 -0.03 0.00 2.66 0.00 0.00 56.10 58.40 2bys s TRP 67 Cb -0.15 0.24 0.09 0.00 -3.10 0.00 0.00 33.47 30.55 2bys s TRP 67 CO 0.30 -1.19 0.15 0.34 -2.66 0.00 0.00 176.95 173.90 2bys s ASP 68 N -3.12 5.21 0.29 -2.66 2.15 -1.26 -4.73 116.67 112.55 2bys s ASP 68 Ca 0.24 -1.73 0.02 0.00 0.43 0.00 0.00 52.55 51.51 2bys s ASP 68 Cb -0.02 -1.82 0.70 0.00 -0.30 0.00 0.00 42.92 41.49 2bys s ASP 68 CO 0.14 -0.46 1.66 -0.65 -0.17 0.00 0.00 175.17 175.69 2bys h PRO 69 N 8.08 0.25 -0.93 4.34 0.11 -1.94 0.60 132.00 142.51 2bys h PRO 69 Ca -0.17 -0.01 0.38 0.00 0.11 0.00 0.00 66.00 66.31 2bys h PRO 69 Cb 1.06 -0.06 -0.16 0.00 0.11 0.00 0.00 31.00 31.95 2bys h PRO 69 CO 0.66 0.16 0.51 -1.71 -0.21 0.00 0.00 178.00 177.41 2bys n ASN 70 N -5.18 0.30 -1.54 -2.05 5.15 -1.26 -0.45 115.26 110.23 2bys n ASN 70 Ca 0.21 1.47 -0.12 0.00 -0.60 0.00 0.00 54.58 55.54 2bys n ASN 70 Cb 0.67 -0.72 0.18 0.00 -0.53 0.00 0.00 39.78 39.38 2bys n ASN 70 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2bys n GLU 71 N -4.99 2.05 -2.79 1.20 0.28 0.20 -4.42 120.64 112.18 2bys n GLU 71 Ca 0.34 -3.20 -0.02 0.00 -0.16 0.00 0.00 57.16 54.13 2bys n GLU 71 Cb 1.18 -1.95 0.06 0.00 1.43 0.00 0.00 31.44 32.16 2bys n GLU 71 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2bys n TYR 72 N -1.11 0.68 -2.19 -1.84 4.01 0.41 -4.97 117.16 112.15 2bys n TYR 72 Ca 0.42 -2.17 -0.18 0.00 -0.16 0.00 0.00 57.90 55.81 2bys n TYR 72 Cb 1.19 0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 40.24 2bys n TYR 72 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bys n GLY 73 N -0.65 0.03 2.80 2.72 0.00 -1.23 -2.79 105.19 106.07 2bys n GLY 73 Ca 0.04 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 2bys n GLY 73 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bys n ASN 74 N -1.37 -5.46 -4.73 1.61 5.15 0.13 -4.99 115.26 105.60 2bys n ASN 74 Ca -0.21 -0.23 -0.41 0.00 -0.60 0.00 0.00 54.58 53.12 2bys n ASN 74 Cb 0.65 -4.31 -0.04 0.00 -0.53 0.00 0.00 39.78 35.56 2bys n ASN 74 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2bys s ILE 75 N -3.08 4.05 -0.02 -1.44 1.01 -1.12 -4.93 121.20 115.68 2bys s ILE 75 Ca 0.25 1.64 0.12 0.00 0.00 0.00 0.00 60.65 62.65 2bys s ILE 75 Cb -0.11 -4.05 -0.18 0.00 0.01 0.00 0.00 42.46 38.13 2bys s ILE 75 CO 0.30 0.22 0.25 0.35 0.00 0.00 0.00 174.94 176.07 2bys n THR 76 N 2.98 0.02 -3.82 2.92 -2.24 -1.26 -4.19 114.28 108.69 2bys n THR 76 Ca 0.05 -0.27 -0.06 0.00 -2.27 0.00 0.00 64.05 61.50 2bys n THR 76 Cb 0.47 0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.89 2bys n THR 76 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2bys s ASP 77 N -3.38 -0.19 -0.10 3.42 1.47 -1.26 0.03 116.67 116.66 2bys s ASP 77 Ca -0.04 -0.61 -0.29 0.00 1.18 0.00 0.00 52.55 52.79 2bys s ASP 77 Cb 0.07 0.65 0.07 0.00 -0.34 0.00 0.00 42.92 43.37 2bys s ASP 77 CO 0.49 -1.22 0.68 0.72 0.68 0.00 0.00 175.17 176.52 2bys s PHE 78 N -3.42 -0.68 0.30 2.11 -0.12 -0.72 -5.00 117.98 110.45 2bys s PHE 78 Ca 0.13 1.30 -0.28 0.00 -0.05 0.00 0.00 56.93 58.02 2bys s PHE 78 Cb -0.04 0.37 -0.09 0.00 -0.63 0.00 0.00 43.02 42.63 2bys s PHE 78 CO 0.06 -0.56 1.04 1.03 -0.05 0.00 0.00 175.22 176.74 2bys s ARG 79 N -0.84 4.57 0.12 1.99 3.00 -1.26 -1.31 118.95 125.22 2bys s ARG 79 Ca -0.09 1.63 -0.16 0.00 0.00 0.00 0.00 55.73 57.12 2bys s ARG 79 Cb -0.01 -3.02 0.03 0.00 0.00 0.00 0.00 34.95 31.95 2bys s ARG 79 CO 0.08 0.20 0.40 -0.08 0.00 0.00 0.00 175.30 175.90 2bys s THR 80 N -1.32 0.07 0.40 0.02 -1.32 0.53 -4.97 115.64 109.05 2bys s THR 80 Ca 0.47 -0.58 -0.26 0.00 -1.21 0.00 0.00 61.69 60.11 2bys s THR 80 Cb -0.27 -1.16 -0.09 0.00 -1.51 0.00 0.00 72.50 69.46 2bys s THR 80 CO 0.35 -0.32 1.31 -0.55 -2.21 0.00 0.00 174.62 173.19 2bys s SER 81 N -2.79 6.36 0.54 8.08 0.15 -1.26 -0.05 113.70 124.72 2bys s SER 81 Ca 0.03 2.67 0.25 0.00 0.70 0.00 0.00 55.95 59.61 2bys s SER 81 Cb 0.02 -2.64 1.51 0.00 -1.71 0.00 0.00 66.02 63.20 2bys s SER 81 CO -0.12 -0.82 2.14 0.00 1.20 0.00 0.00 173.24 175.64 2bys h ALA 82 N 2.77 1.50 0.00 5.45 0.00 -1.31 -1.91 119.26 125.75 2bys h ALA 82 Ca -0.50 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 2bys h ALA 82 Cb 1.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2bys h ALA 82 CO 0.63 0.09 -0.33 0.00 0.00 0.00 0.00 179.25 179.64 2bys h ALA 83 N 1.93 1.36 0.00 0.00 0.00 -1.90 -2.95 119.26 117.69 2bys h ALA 83 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2bys h ALA 83 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2bys h ALA 83 CO 0.01 0.41 0.00 -0.25 0.00 0.00 0.00 179.25 179.42 2bys n ASP 84 N -4.00 0.00 -4.24 0.00 8.00 -0.72 -4.85 116.55 110.75 2bys n ASP 84 Ca -0.02 -0.15 -0.13 0.00 0.71 0.00 0.00 54.79 55.20 2bys n ASP 84 Cb 0.38 -0.28 -0.10 0.00 -0.02 0.00 0.00 41.12 41.10 2bys n ASP 84 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2bys s ILE 85 N -2.56 0.75 0.17 0.53 -4.36 -1.11 -5.03 121.20 109.58 2bys s ILE 85 Ca 0.28 -1.98 -0.30 0.00 -0.26 0.00 0.00 60.65 58.39 2bys s ILE 85 Cb 0.20 -2.04 -0.08 0.00 1.25 0.00 0.00 42.46 41.79 2bys s ILE 85 CO 0.45 -0.55 1.32 0.86 0.24 0.00 0.00 174.94 177.26 2bys s TRP 86 N -3.61 3.27 0.14 1.37 -0.00 -1.26 -4.92 118.94 113.93 2bys s TRP 86 Ca 0.22 1.16 0.07 0.00 -0.00 0.00 0.00 56.10 57.55 2bys s TRP 86 Cb 0.06 -3.60 -0.04 0.00 -0.00 0.00 0.00 33.47 29.88 2bys s TRP 86 CO 0.03 -1.95 -0.15 0.95 -0.00 0.00 0.00 176.95 175.83 2bys s THR 87 N 0.43 1.50 0.35 5.86 -4.23 -1.26 -5.11 115.64 113.17 2bys s THR 87 Ca 0.59 -1.83 -0.21 0.00 -1.18 0.00 0.00 61.69 59.05 2bys s THR 87 Cb -0.36 -1.68 -0.10 0.00 1.34 0.00 0.00 72.50 71.70 2bys s THR 87 CO 0.35 -0.42 0.88 -2.16 -0.54 0.00 0.00 174.62 172.74 2bys s PRO 88 N -2.84 4.31 -0.85 3.99 0.04 -1.26 -4.97 135.00 133.43 2bys s PRO 88 Ca 0.12 1.08 -0.05 0.00 0.04 0.00 0.00 61.00 62.19 2bys s PRO 88 Cb -0.04 -2.53 0.02 0.00 0.04 0.00 0.00 34.50 31.98 2bys s PRO 88 CO 0.04 0.17 2.78 -0.40 0.04 0.00 0.00 177.00 179.63 2bys n ASP 89 N 0.01 7.15 -4.64 6.66 5.75 -1.26 -4.93 116.55 125.29 2bys n ASP 89 Ca 0.03 -3.01 -0.43 0.00 -0.01 0.00 0.00 54.79 51.38 2bys n ASP 89 Cb 0.52 -1.34 -0.02 0.00 -1.03 0.00 0.00 41.12 39.24 2bys n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2bys s ILE 90 N -0.88 3.98 0.06 2.12 -1.09 -1.26 -2.82 121.20 121.31 2bys s ILE 90 Ca 0.60 1.14 0.07 0.00 -2.23 0.00 0.00 60.65 60.23 2bys s ILE 90 Cb 0.28 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 2bys s ILE 90 CO -0.13 -0.25 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.25 2bys s THR 91 N 4.25 1.59 0.16 2.92 2.01 0.17 -4.86 115.64 121.88 2bys s THR 91 Ca 0.63 -1.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 2bys s THR 91 Cb -0.23 -1.41 -0.07 0.00 0.01 0.00 0.00 72.50 70.80 2bys s THR 91 CO 0.23 0.09 0.95 0.00 -0.69 0.00 0.00 174.62 175.19 2bys s ALA 92 N -0.93 3.29 0.09 7.40 0.00 -1.26 -1.49 121.76 128.86 2bys s ALA 92 Ca 0.06 0.58 -0.13 0.00 0.00 0.00 0.00 51.96 52.47 2bys s ALA 92 Cb -0.09 -3.24 -0.20 0.00 0.00 0.00 0.00 23.12 19.59 2bys s ALA 92 CO 0.02 0.07 1.23 -0.92 0.00 0.00 0.00 175.76 176.17 2bys h TYR 93 N 5.02 1.04 -0.49 0.00 3.20 -1.59 -3.34 116.97 120.81 2bys h TYR 93 Ca -0.44 -0.53 -0.30 0.00 3.14 0.00 0.00 58.73 60.60 2bys h TYR 93 Cb 1.21 -0.13 -0.19 0.00 1.54 0.00 0.00 36.73 39.16 2bys h TYR 93 CO 0.63 1.37 -0.15 -1.13 -1.64 0.00 0.00 178.16 177.24 2bys n SER 94 N -3.87 3.47 -4.77 -2.11 3.41 -1.26 -5.01 113.62 103.48 2bys n SER 94 Ca -0.10 -3.79 -0.41 0.00 -0.26 0.00 0.00 58.87 54.31 2bys n SER 94 Cb 0.84 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 2bys n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2bys s SER 95 N -2.71 6.83 0.00 4.04 1.04 -1.26 -0.96 113.70 120.68 2bys s SER 95 Ca 0.48 2.63 0.18 0.00 0.48 0.00 0.00 55.95 59.71 2bys s SER 95 Cb 0.42 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.87 2bys s SER 95 CO 0.00 -0.50 0.89 0.35 0.98 0.00 0.00 173.24 174.96 2bys n THR 96 N 1.00 0.00 -3.87 2.02 -2.24 -0.53 -4.88 114.28 105.78 2bys n THR 96 Ca 0.00 -0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 2bys n THR 96 Cb 0.42 1.18 -0.08 0.00 -2.10 0.00 0.00 70.33 69.75 2bys n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2bys s ARG 97 N -2.11 0.76 0.45 -0.78 0.52 -1.25 -5.05 118.95 111.48 2bys s ARG 97 Ca 0.14 -0.84 -0.25 0.00 -0.52 0.00 0.00 55.73 54.25 2bys s ARG 97 Cb 0.14 0.31 -0.08 0.00 0.52 0.00 0.00 34.95 35.84 2bys s ARG 97 CO 0.48 -0.23 1.36 -2.14 0.02 0.00 0.00 175.30 174.79 2bys s PRO 98 N -3.33 3.68 0.24 3.54 0.02 -1.26 -4.68 135.00 133.22 2bys s PRO 98 Ca 0.01 2.27 -0.31 0.00 0.02 0.00 0.00 61.00 62.99 2bys s PRO 98 Cb 0.03 -2.61 -0.11 0.00 0.02 0.00 0.00 34.50 31.83 2bys s PRO 98 CO -0.08 -0.77 1.61 0.08 -0.33 0.00 0.00 177.00 177.51 2bys s VAL 99 N -1.26 2.22 -0.31 3.83 1.01 -1.26 -4.86 120.40 119.78 2bys s VAL 99 Ca 0.62 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.62 2bys s VAL 99 Cb -0.41 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 2bys s VAL 99 CO 0.51 0.02 0.35 -1.10 0.00 0.00 0.00 175.10 174.88 2bys s GLN 100 N 0.33 3.79 -0.03 2.72 -0.21 -0.75 -4.97 119.66 120.54 2bys s GLN 100 Ca 0.68 -0.22 -0.29 0.00 0.02 0.00 0.00 55.36 55.54 2bys s GLN 100 Cb -0.47 -3.73 -0.03 0.00 1.00 0.00 0.00 33.01 29.79 2bys s GLN 100 CO 0.39 -0.38 0.95 0.08 -2.12 0.00 0.00 175.29 174.21 2bys s VAL 101 N 2.01 4.87 -1.12 1.09 1.01 -1.26 -0.97 120.40 126.03 2bys s VAL 101 Ca 0.12 1.98 0.10 0.00 0.00 0.00 0.00 61.98 64.19 2bys s VAL 101 Cb -0.16 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 31.97 2bys s VAL 101 CO 0.11 0.13 0.73 0.18 0.00 0.00 0.00 175.10 176.25 2bys n LEU 102 N 4.15 1.54 -4.21 3.92 4.77 0.40 -4.97 117.00 122.59 2bys n LEU 102 Ca 0.06 -0.88 -0.15 0.00 -0.03 0.00 0.00 56.01 55.01 2bys n LEU 102 Cb 0.51 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 2bys n LEU 102 CO 0.51 0.30 -0.42 -0.94 -1.33 0.00 0.00 177.39 175.51 2bys s SER 103 N -1.14 1.69 0.30 -1.43 1.04 -1.24 -4.91 113.70 108.01 2bys s SER 103 Ca 0.10 -0.87 -0.27 0.00 0.48 0.00 0.00 55.95 55.39 2bys s SER 103 Cb 0.08 -0.02 -0.14 0.00 0.10 0.00 0.00 66.02 66.05 2bys s SER 103 CO 0.20 -0.25 0.95 -2.65 0.98 0.00 0.00 173.24 172.47 2bys n PRO 104 N 0.32 1.23 -2.37 4.02 -0.02 -1.26 -4.83 135.00 132.10 2bys n PRO 104 Ca -0.14 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 2bys n PRO 104 Cb 0.58 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2bys n PRO 104 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2bys n GLN 105 N 0.68 4.20 -4.95 -0.52 6.02 -1.26 -4.91 117.38 116.63 2bys n GLN 105 Ca 0.10 -3.77 -0.27 0.00 -0.01 0.00 0.00 57.00 53.05 2bys n GLN 105 Cb 0.33 -2.73 -0.16 0.00 1.02 0.00 0.00 30.24 28.69 2bys n GLN 105 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2bys s ILE 106 N -0.97 1.58 0.31 5.09 1.01 -1.26 -0.82 121.20 126.14 2bys s ILE 106 Ca 0.42 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 60.33 2bys s ILE 106 Cb 0.12 -1.35 -0.06 0.00 0.01 0.00 0.00 42.46 41.18 2bys s ILE 106 CO -0.02 0.45 -0.05 0.00 0.00 0.00 0.00 174.94 175.32 2bys s ALA 107 N -0.06 2.56 -0.15 9.38 0.00 0.92 -4.73 121.76 129.69 2bys s ALA 107 Ca -0.03 -1.99 0.01 0.00 0.00 0.00 0.00 51.96 49.95 2bys s ALA 107 Cb -0.12 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2bys s ALA 107 CO 0.02 -0.06 -0.17 0.08 0.00 0.00 0.00 175.76 175.64 2bys s VAL 108 N -2.91 2.54 -0.23 0.00 1.01 -0.89 -0.35 120.40 119.57 2bys s VAL 108 Ca 0.31 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 2bys s VAL 108 Cb 0.04 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2bys s VAL 108 CO 0.14 0.52 0.03 -0.69 0.00 0.00 0.00 175.10 175.10 2bys s VAL 109 N 0.80 4.10 0.15 2.92 1.01 -0.43 -1.96 120.40 126.99 2bys s VAL 109 Ca -0.06 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.70 2bys s VAL 109 Cb -0.15 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2bys s VAL 109 CO -0.00 0.39 0.27 -0.89 0.00 0.00 0.00 175.10 174.86 2bys s THR 110 N 1.33 5.22 0.51 3.92 2.01 0.37 -1.75 115.64 127.26 2bys s THR 110 Ca 0.05 -0.74 0.41 0.00 0.31 0.00 0.00 61.69 61.72 2bys s THR 110 Cb -0.15 -3.68 0.43 0.00 0.01 0.00 0.00 72.50 69.11 2bys s THR 110 CO 0.02 -0.10 2.26 1.12 -0.69 0.00 0.00 174.62 177.24 2bys h HIS 111 N 2.17 0.00 0.00 4.92 2.07 -0.71 0.22 115.15 123.82 2bys h HIS 111 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 2bys h HIS 111 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 2bys h HIS 111 CO 0.54 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.00 2bys n ASP 112 N -3.12 0.00 0.00 3.10 5.75 -1.26 -2.20 116.55 118.81 2bys n ASP 112 Ca -0.02 -0.63 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 2bys n ASP 112 Cb 0.14 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2bys n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bys n GLY 113 N 0.56 0.74 3.83 6.12 0.00 0.78 -4.76 105.19 112.46 2bys n GLY 113 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2bys n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bys s SER 114 N -2.61 6.91 0.07 1.61 1.04 -1.19 -1.04 113.70 118.50 2bys s SER 114 Ca 0.00 1.31 0.06 0.00 0.48 0.00 0.00 55.95 57.80 2bys s SER 114 Cb 0.00 -2.38 -0.03 0.00 0.10 0.00 0.00 66.02 63.71 2bys s SER 114 CO 0.00 -0.05 -0.16 -0.69 0.98 0.00 0.00 173.24 173.32 2bys s VAL 115 N -1.69 1.29 -0.02 5.02 1.01 0.16 -0.47 120.40 125.69 2bys s VAL 115 Ca 0.46 -1.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2bys s VAL 115 Cb -0.14 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.07 2bys s VAL 115 CO 0.20 -0.10 0.04 -0.32 0.00 0.00 0.00 175.10 174.91 2bys s MET 116 N -1.60 -0.01 -0.01 2.72 0.00 -0.83 -2.24 119.30 117.34 2bys s MET 116 Ca 0.01 0.18 0.01 0.00 0.00 0.00 0.00 55.69 55.89 2bys s MET 116 Cb -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 34.83 34.56 2bys s MET 116 CO 0.02 -0.13 -0.04 0.12 0.00 0.00 0.00 175.02 174.99 2bys s PHE 117 N 0.83 0.47 -0.40 4.11 5.36 -0.45 -2.10 117.98 125.80 2bys s PHE 117 Ca -0.07 -0.09 0.08 0.00 -0.96 0.00 0.00 56.93 55.90 2bys s PHE 117 Cb -0.10 -0.36 0.26 0.00 -0.34 0.00 0.00 43.02 42.49 2bys s PHE 117 CO -0.03 -0.05 0.56 -0.89 -1.46 0.00 0.00 175.22 173.36 2bys n ILE 118 N 3.30 -0.41 -2.26 3.12 5.41 -1.26 0.16 119.36 127.42 2bys n ILE 118 Ca -0.17 -4.17 -0.42 0.00 1.00 0.00 0.00 62.75 58.99 2bys n ILE 118 Cb 0.56 -1.75 -0.03 0.00 -0.71 0.00 0.00 39.64 37.71 2bys n ILE 118 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2bys s PRO 119 N -1.44 4.39 0.05 0.38 0.04 -1.19 -4.75 135.00 132.49 2bys s PRO 119 Ca 0.36 1.99 -0.12 0.00 0.04 0.00 0.00 61.00 63.28 2bys s PRO 119 Cb 0.19 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 2bys s PRO 119 CO -0.10 -0.28 0.41 0.00 0.04 0.00 0.00 177.00 177.07 2bys s ALA 120 N 0.51 3.71 -0.01 8.56 0.00 -1.26 -1.76 121.76 131.50 2bys s ALA 120 Ca 0.59 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.13 2bys s ALA 120 Cb -0.35 -2.32 0.01 0.00 0.00 0.00 0.00 23.12 20.46 2bys s ALA 120 CO 0.34 0.53 0.22 -0.65 0.00 0.00 0.00 175.76 176.21 2bys s GLN 121 N -1.63 0.55 -0.17 0.00 -0.21 -0.27 -0.45 119.66 117.48 2bys s GLN 121 Ca 0.30 -0.25 -0.05 0.00 0.02 0.00 0.00 55.36 55.39 2bys s GLN 121 Cb -0.15 0.24 -0.03 0.00 1.00 0.00 0.00 33.01 34.07 2bys s GLN 121 CO 0.16 -0.14 -0.01 0.50 -2.12 0.00 0.00 175.29 173.68 2bys s ARG 122 N -1.23 3.71 -0.08 2.91 3.52 -0.14 -2.09 118.95 125.56 2bys s ARG 122 Ca -0.13 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.00 2bys s ARG 122 Cb -0.06 -3.00 0.01 0.00 -1.56 0.00 0.00 34.95 30.35 2bys s ARG 122 CO 0.03 0.20 -0.12 -1.17 -0.81 0.00 0.00 175.30 173.42 2bys s LEU 123 N 0.50 1.61 -0.18 -0.88 2.96 -0.14 -1.81 118.68 120.73 2bys s LEU 123 Ca -0.02 -0.33 -0.16 0.00 -0.22 0.00 0.00 54.13 53.40 2bys s LEU 123 Cb -0.14 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 2bys s LEU 123 CO 0.02 0.01 0.41 -0.44 -1.32 0.00 0.00 176.35 175.03 2bys s SER 124 N 0.85 6.48 0.14 3.68 0.01 -1.26 -0.60 113.70 123.00 2bys s SER 124 Ca -0.11 0.57 0.02 0.00 1.31 0.00 0.00 55.95 57.74 2bys s SER 124 Cb -0.15 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 2bys s SER 124 CO 0.01 -0.05 -0.02 0.72 0.41 0.00 0.00 173.24 174.31 2bys s PHE 125 N 1.14 1.06 -0.12 2.43 -0.12 -0.39 -1.45 117.98 120.53 2bys s PHE 125 Ca 0.20 -0.99 -0.29 0.00 -0.05 0.00 0.00 56.93 55.80 2bys s PHE 125 Cb -0.15 -0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 41.59 2bys s PHE 125 CO 0.08 -0.21 1.66 -1.64 -0.05 0.00 0.00 175.22 175.06 2bys s MET 126 N -3.89 4.00 -0.29 1.99 -1.94 -0.14 -1.80 119.30 117.23 2bys s MET 126 Ca 0.19 2.00 -0.13 0.00 -1.71 0.00 0.00 55.69 56.04 2bys s MET 126 Cb 0.06 -4.02 0.12 0.00 2.01 0.00 0.00 34.83 33.00 2bys s MET 126 CO 0.00 -1.05 0.72 0.00 -0.01 0.00 0.00 175.02 174.68 2bys s ASP 128 N 2.42 6.36 0.00 0.00 2.15 -1.26 -3.29 116.67 123.04 2bys s ASP 128 Ca -0.07 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 52.60 2bys s ASP 128 Cb -0.09 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 2bys s ASP 128 CO -0.19 -1.12 0.57 -0.81 -0.17 0.00 0.00 175.17 173.45 2bys n PRO 129 N 7.16 0.99 -1.72 4.34 -0.04 -1.26 -4.72 135.00 139.75 2bys n PRO 129 Ca 0.01 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.05 2bys n PRO 129 Cb 0.47 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 2bys n PRO 129 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2bys n THR 130 N -0.07 0.17 -0.35 0.52 -1.04 -1.26 -2.05 114.28 110.19 2bys n THR 130 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2bys n THR 130 Cb 0.21 -1.99 0.00 0.00 -1.82 0.00 0.00 70.33 66.73 2bys n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bys n GLY 131 N 3.69 0.74 0.22 3.41 0.00 -1.26 -4.42 105.19 107.58 2bys n GLY 131 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 2bys n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2bys h VAL 132 N 0.00 0.60 -0.64 1.61 3.04 -1.62 -1.98 116.25 117.25 2bys h VAL 132 Ca 0.00 -1.10 -0.31 0.00 -1.01 0.00 0.00 66.70 64.29 2bys h VAL 132 Cb 0.00 1.73 -0.18 0.00 -2.01 0.00 0.00 31.29 30.83 2bys h VAL 132 CO 0.00 0.23 0.39 -0.90 -1.01 0.00 0.00 177.57 176.28 2bys n ASP 133 N -3.44 3.61 -4.41 3.17 5.75 -1.26 -0.79 116.55 119.18 2bys n ASP 133 Ca -0.00 -3.04 -0.20 0.00 -0.01 0.00 0.00 54.79 51.54 2bys n ASP 133 Cb 0.41 -0.72 -0.10 0.00 -1.03 0.00 0.00 41.12 39.68 2bys n ASP 133 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2bys s SER 134 N -0.56 2.39 0.31 -1.12 1.04 -0.76 -5.03 113.70 109.96 2bys s SER 134 Ca 0.39 -1.26 0.01 0.00 0.48 0.00 0.00 55.95 55.57 2bys s SER 134 Cb 0.32 -0.10 0.56 0.00 0.10 0.00 0.00 66.02 66.91 2bys s SER 134 CO 0.08 -0.48 1.91 -0.33 0.98 0.00 0.00 173.24 175.40 2bys h GLU 135 N 2.27 0.96 0.00 4.02 5.08 -1.91 -2.60 114.58 122.41 2bys h GLU 135 Ca -0.40 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 57.84 2bys h GLU 135 Cb 1.23 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2bys h GLU 135 CO 0.67 0.64 -0.30 0.93 -1.00 0.00 0.00 179.01 179.95 2bys h GLU 136 N 0.99 0.00 0.00 2.33 3.07 -1.96 -3.50 114.58 115.51 2bys h GLU 136 Ca 0.40 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 59.30 2bys h GLU 136 Cb 0.25 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 2bys h GLU 136 CO -0.15 0.30 -0.06 0.41 -1.40 0.00 0.00 179.01 178.11 2bys n GLY 137 N 0.30 -1.62 3.47 -3.84 0.00 -0.98 -4.85 105.19 97.66 2bys n GLY 137 Ca 0.00 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 2bys n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bys s ALA 138 N -1.54 2.62 -0.08 4.61 0.00 0.67 -4.42 121.76 123.62 2bys s ALA 138 Ca 0.00 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.62 2bys s ALA 138 Cb 0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 2bys s ALA 138 CO 0.00 0.58 -0.23 0.99 0.00 0.00 0.00 175.76 177.10 2bys s THR 139 N -1.14 1.96 0.16 0.00 2.01 -1.26 -0.78 115.64 116.59 2bys s THR 139 Ca 0.17 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.22 2bys s THR 139 Cb -0.10 -1.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 2bys s THR 139 CO 0.09 0.54 -0.04 0.00 -0.69 0.00 0.00 174.62 174.52 2bys s ALA 141 N -3.54 0.47 -0.22 0.00 0.00 -1.26 -1.25 121.76 115.96 2bys s ALA 141 Ca 0.20 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 51.08 2bys s ALA 141 Cb 0.05 0.18 0.09 0.00 0.00 0.00 0.00 23.12 23.44 2bys s ALA 141 CO 0.02 -0.24 0.51 0.54 0.00 0.00 0.00 175.76 176.59 2bys s VAL 142 N -2.77 -0.40 0.11 0.00 0.11 -0.03 -4.92 120.40 112.51 2bys s VAL 142 Ca -0.02 0.08 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 2bys s VAL 142 Cb -0.00 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 2bys s VAL 142 CO -0.05 0.03 0.20 -1.59 -3.33 0.00 0.00 175.10 170.37 2bys s LYS 143 N 2.12 3.25 -0.06 1.54 -2.85 -1.26 -0.56 119.74 121.91 2bys s LYS 143 Ca -0.06 -0.61 0.02 0.00 -1.00 0.00 0.00 55.97 54.31 2bys s LYS 143 Cb -0.10 -2.89 0.01 0.00 -2.06 0.00 0.00 37.83 32.80 2bys s LYS 143 CO -0.15 0.55 -0.11 -0.06 0.10 0.00 0.00 175.35 175.67 2bys s PHE 144 N -1.61 1.38 0.21 1.78 0.08 -0.32 -1.33 117.98 118.16 2bys s PHE 144 Ca 0.33 -0.51 -0.23 0.00 0.12 0.00 0.00 56.93 56.65 2bys s PHE 144 Cb -0.12 -1.03 0.05 0.00 -0.57 0.00 0.00 43.02 41.35 2bys s PHE 144 CO 0.26 -0.27 0.72 0.20 -0.10 0.00 0.00 175.22 176.03 2bys s GLY 145 N 0.71 -0.31 0.16 4.36 0.00 -0.55 -1.11 107.32 110.58 2bys s GLY 145 Ca -0.14 0.09 -0.31 0.00 0.00 0.00 0.00 44.72 44.36 2bys s GLY 145 CO 0.03 0.03 1.51 -0.45 0.00 0.00 0.00 173.10 174.23 2bys s SER 146 N -2.84 6.65 0.11 1.64 0.15 -1.26 -0.65 113.70 117.50 2bys s SER 146 Ca 0.07 2.55 -0.15 0.00 0.70 0.00 0.00 55.95 59.12 2bys s SER 146 Cb -0.03 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 2bys s SER 146 CO -0.01 -0.77 1.49 -0.25 1.20 0.00 0.00 173.24 174.90 2bys h TRP 147 N 6.66 0.78 -0.01 3.44 2.91 -1.88 -3.36 115.95 124.50 2bys h TRP 147 Ca -0.43 -0.18 0.00 0.00 1.13 0.00 0.00 58.89 59.41 2bys h TRP 147 Cb 1.21 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.67 2bys h TRP 147 CO 0.65 0.88 -0.12 1.33 -1.03 0.00 0.00 178.44 180.14 2bys n VAL 148 N -4.37 0.00 -4.06 2.65 0.24 -1.26 -4.95 118.33 106.57 2bys n VAL 148 Ca -0.02 -0.44 -0.34 0.00 -2.04 0.00 0.00 64.34 61.50 2bys n VAL 148 Cb 0.37 1.15 -0.15 0.00 -1.47 0.00 0.00 33.84 33.74 2bys n VAL 148 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2bys s TYR 149 N -1.14 2.89 0.81 6.34 2.02 -1.26 -5.10 117.35 121.91 2bys s TYR 149 Ca 0.09 -1.12 -0.12 0.00 -0.37 0.00 0.00 57.07 55.55 2bys s TYR 149 Cb 0.08 -2.02 0.08 0.00 -0.40 0.00 0.00 41.96 39.70 2bys s TYR 149 CO 0.20 -0.59 1.15 -1.54 -1.57 0.00 0.00 175.55 173.19 2bys s SER 150 N 1.31 4.46 0.57 2.29 1.04 -1.26 -4.51 113.70 117.61 2bys s SER 150 Ca 0.04 0.94 0.17 0.00 0.48 0.00 0.00 55.95 57.57 2bys s SER 150 Cb -0.14 -1.52 0.93 0.00 0.10 0.00 0.00 66.02 65.39 2bys s SER 150 CO -0.05 -1.95 1.49 1.23 0.98 0.00 0.00 173.24 174.94 2bys h GLY 151 N -1.08 0.00 2.00 7.32 0.00 -0.42 0.61 103.07 111.49 2bys h GLY 151 Ca -0.47 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 2bys h GLY 151 CO 0.64 0.00 -0.15 0.74 0.00 0.00 0.00 176.54 177.77 2bys h PHE 152 N 0.00 0.00 0.00 5.60 -1.00 -1.91 -3.39 116.94 116.24 2bys h PHE 152 Ca 0.00 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.62 2bys h PHE 152 Cb 1.04 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.58 2bys h PHE 152 CO 0.00 0.15 -1.60 0.39 -1.61 0.00 0.00 178.31 175.64 2bys n GLU 153 N -3.15 0.53 -3.90 1.51 1.02 0.19 -4.15 120.64 112.69 2bys n GLU 153 Ca 0.03 0.05 -0.25 0.00 -0.02 0.00 0.00 57.16 56.98 2bys n GLU 153 Cb 0.56 -1.21 -0.17 0.00 -0.02 0.00 0.00 31.44 30.60 2bys n GLU 153 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2bys s ILE 154 N -2.21 0.72 0.08 -3.67 1.01 0.14 -1.51 121.20 115.76 2bys s ILE 154 Ca -0.13 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.45 2bys s ILE 154 Cb 0.04 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 2bys s ILE 154 CO 0.26 0.31 0.02 -0.62 0.00 0.00 0.00 174.94 174.90 2bys s ASP 155 N 1.71 5.14 0.17 3.58 -1.08 0.29 -3.74 116.67 122.73 2bys s ASP 155 Ca 0.03 -0.13 0.08 0.00 -0.52 0.00 0.00 52.55 52.01 2bys s ASP 155 Cb -0.13 -1.27 -0.04 0.00 -1.46 0.00 0.00 42.92 40.02 2bys s ASP 155 CO -0.06 0.18 -0.07 -0.76 0.52 0.00 0.00 175.17 174.98 2bys s LEU 156 N -2.25 3.06 0.07 -1.34 1.43 -1.26 -0.83 118.68 117.55 2bys s LEU 156 Ca 0.26 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 2bys s LEU 156 Cb -0.12 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.35 2bys s LEU 156 CO 0.18 0.11 0.24 -0.75 0.23 0.00 0.00 176.35 176.36 2bys s LYS 157 N -2.75 0.81 0.18 1.70 2.20 -0.68 -4.91 119.74 116.29 2bys s LYS 157 Ca 0.25 -0.72 0.10 0.00 -0.36 0.00 0.00 55.97 55.23 2bys s LYS 157 Cb -0.09 0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 36.52 2bys s LYS 157 CO 0.16 -0.26 -0.21 0.95 -0.36 0.00 0.00 175.35 175.63 2bys s THR 158 N -3.14 2.03 -0.36 3.43 -4.23 -1.26 -0.20 115.64 111.91 2bys s THR 158 Ca -0.01 -1.96 0.23 0.00 -1.18 0.00 0.00 61.69 58.77 2bys s THR 158 Cb 0.01 -1.95 0.02 0.00 1.34 0.00 0.00 72.50 71.93 2bys s THR 158 CO -0.07 -0.24 1.14 0.44 -0.54 0.00 0.00 174.62 175.36 2bys h ASP 159 N 3.23 0.00 -5.02 3.99 3.32 -1.98 -3.48 116.42 116.48 2bys h ASP 159 Ca -0.44 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 2bys h ASP 159 Cb 1.21 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.61 2bys h ASP 159 CO 0.50 0.03 0.11 0.28 -1.72 0.00 0.00 179.24 178.44 2bys s THR 160 N -3.30 0.02 -2.71 0.35 -1.32 -1.26 -5.04 115.64 102.37 2bys s THR 160 Ca 0.02 -0.16 0.26 0.00 -1.21 0.00 0.00 61.69 60.60 2bys s THR 160 Cb 0.10 -1.01 0.33 0.00 -1.51 0.00 0.00 72.50 70.41 2bys s THR 160 CO 0.77 -0.09 1.45 -0.90 -2.21 0.00 0.00 174.62 173.65 2bys n ASP 161 N 0.09 2.29 -4.67 8.08 5.75 -1.26 -4.76 116.55 122.08 2bys n ASP 161 Ca -0.18 -1.74 -0.38 0.00 -0.01 0.00 0.00 54.79 52.48 2bys n ASP 161 Cb 0.62 0.03 -0.08 0.00 -1.03 0.00 0.00 41.12 40.66 2bys n ASP 161 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2bys s GLN 162 N -2.04 4.16 0.34 0.11 -1.52 -1.26 -0.19 119.66 119.26 2bys s GLN 162 Ca 0.31 0.14 -0.29 0.00 -1.95 0.00 0.00 55.36 53.58 2bys s GLN 162 Cb 0.20 -3.54 -0.11 0.00 -0.22 0.00 0.00 33.01 29.35 2bys s GLN 162 CO 0.33 -0.04 1.39 0.08 -0.25 0.00 0.00 175.29 176.80 2bys s VAL 163 N 1.32 2.45 -0.13 1.09 1.01 -0.62 -4.83 120.40 120.70 2bys s VAL 163 Ca 0.18 0.45 -0.29 0.00 0.00 0.00 0.00 61.98 62.31 2bys s VAL 163 Cb -0.15 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2bys s VAL 163 CO 0.08 0.10 1.41 -0.62 0.00 0.00 0.00 175.10 176.07 2bys s ASP 164 N -0.28 6.83 -0.00 3.32 -1.08 -0.45 -4.88 116.67 120.13 2bys s ASP 164 Ca 0.51 1.88 0.06 0.00 -0.52 0.00 0.00 52.55 54.48 2bys s ASP 164 Cb -0.43 -2.54 0.18 0.00 -1.46 0.00 0.00 42.92 38.68 2bys s ASP 164 CO 0.56 -0.84 1.15 0.18 0.52 0.00 0.00 175.17 176.74 2bys n LEU 165 N 6.86 2.55 0.10 -1.34 4.77 -1.26 -2.11 117.00 126.57 2bys n LEU 165 Ca 0.15 -2.01 0.12 0.00 -0.03 0.00 0.00 56.01 54.24 2bys n LEU 165 Cb 0.44 -0.14 0.45 0.00 -2.33 0.00 0.00 43.42 41.84 2bys n LEU 165 CO 0.59 0.64 0.87 -1.54 -1.33 0.00 0.00 177.39 176.61 2bys n SER 166 N 0.08 0.65 -0.84 -1.43 3.41 -1.26 -2.16 113.62 112.07 2bys n SER 166 Ca 0.07 0.61 0.07 0.00 -0.26 0.00 0.00 58.87 59.36 2bys n SER 166 Cb 0.36 -0.76 0.21 0.00 -0.26 0.00 0.00 64.21 63.76 2bys n SER 166 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2bys n SER 167 N -2.16 3.45 -4.73 4.04 7.64 -1.26 -5.03 113.62 115.57 2bys n SER 167 Ca 0.04 -2.34 -0.42 0.00 1.01 0.00 0.00 58.87 57.16 2bys n SER 167 Cb 0.32 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 2bys n SER 167 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2bys s TYR 168 N -1.62 3.16 -0.21 1.43 5.04 -0.92 -4.56 117.35 119.67 2bys s TYR 168 Ca 0.33 1.03 -0.29 0.00 -2.44 0.00 0.00 57.07 55.70 2bys s TYR 168 Cb 0.21 -3.72 -0.04 0.00 0.35 0.00 0.00 41.96 38.76 2bys s TYR 168 CO 0.15 -2.41 1.92 -0.47 -1.34 0.00 0.00 175.55 173.40 2bys s TYR 169 N 0.45 1.59 0.58 4.97 5.04 0.11 -4.85 117.35 125.23 2bys s TYR 169 Ca 0.61 0.42 0.35 0.00 -2.44 0.00 0.00 57.07 56.01 2bys s TYR 169 Cb -0.39 -4.04 1.99 0.00 0.35 0.00 0.00 41.96 39.87 2bys s TYR 169 CO 0.37 -3.71 2.27 0.00 -1.34 0.00 0.00 175.55 173.14 2bys h ALA 170 N 12.76 1.28 -0.38 3.97 0.00 -1.90 -1.56 119.26 133.44 2bys h ALA 170 Ca -0.38 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 2bys h ALA 170 Cb 1.20 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 2bys h ALA 170 CO 0.99 0.02 0.02 0.43 0.00 0.00 0.00 179.25 180.70 2bys n SER 171 N -3.51 3.17 -4.58 0.00 7.64 -1.26 -5.03 113.62 110.05 2bys n SER 171 Ca -0.03 -3.46 -0.32 0.00 1.01 0.00 0.00 58.87 56.07 2bys n SER 171 Cb 0.10 -0.62 0.15 0.00 -1.01 0.00 0.00 64.21 62.83 2bys n SER 171 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2bys n SER 172 N -0.87 -0.51 0.24 6.43 2.88 -0.59 -4.89 113.62 116.31 2bys n SER 172 Ca 0.31 0.40 0.11 0.00 -1.33 0.00 0.00 58.87 58.36 2bys n SER 172 Cb 1.04 -1.38 0.59 0.00 -0.75 0.00 0.00 64.21 63.71 2bys n SER 172 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2bys h LYS 173 N -1.68 0.00 -5.32 -1.46 1.79 -1.90 -3.44 116.57 104.56 2bys h LYS 173 Ca -0.43 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.36 2bys h LYS 173 Cb 1.28 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 31.60 2bys h LYS 173 CO 0.39 0.19 -0.87 0.71 -1.08 0.00 0.00 179.45 178.79 2bys s TYR 174 N -3.98 2.59 0.09 -1.35 2.02 -1.26 -0.77 117.35 114.69 2bys s TYR 174 Ca -0.02 -1.06 -0.21 0.00 -0.37 0.00 0.00 57.07 55.42 2bys s TYR 174 Cb 0.12 -1.73 -0.07 0.00 -0.40 0.00 0.00 41.96 39.88 2bys s TYR 174 CO 0.62 -0.43 0.64 -2.00 -1.57 0.00 0.00 175.55 172.81 2bys s GLU 175 N 0.39 4.33 -0.22 -0.62 2.12 0.37 -4.79 118.70 120.28 2bys s GLU 175 Ca -0.17 0.87 -0.19 0.00 0.36 0.00 0.00 54.97 55.84 2bys s GLU 175 Cb -0.18 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 2bys s GLU 175 CO 0.08 0.57 0.57 0.42 -0.54 0.00 0.00 175.26 176.36 2bys s ILE 176 N -0.96 5.05 -0.12 -3.70 -1.09 -1.26 -2.00 121.20 117.12 2bys s ILE 176 Ca 0.32 1.05 0.07 0.00 -2.23 0.00 0.00 60.65 59.85 2bys s ILE 176 Cb -0.20 -3.89 -0.24 0.00 -1.58 0.00 0.00 42.46 36.55 2bys s ILE 176 CO 0.21 0.11 0.37 0.18 -1.23 0.00 0.00 174.94 174.58 2bys n LEU 177 N 5.19 1.43 -3.46 2.97 4.77 0.09 -4.98 117.00 123.00 2bys n LEU 177 Ca -0.03 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 56.03 2bys n LEU 177 Cb 0.50 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2bys n LEU 177 CO 0.42 0.60 0.41 -0.94 -1.33 0.00 0.00 177.39 176.55 2bys s SER 178 N -6.28 -0.60 -0.26 -1.43 1.04 -1.12 -4.97 113.70 100.09 2bys s SER 178 Ca -0.14 0.26 -0.04 0.00 0.48 0.00 0.00 55.95 56.51 2bys s SER 178 Cb 0.07 0.57 0.14 0.00 0.10 0.00 0.00 66.02 66.91 2bys s SER 178 CO 0.79 -0.83 0.47 0.00 0.98 0.00 0.00 173.24 174.65 2bys s ALA 179 N -2.79 -1.52 0.24 5.32 0.00 -1.26 -1.79 121.76 119.96 2bys s ALA 179 Ca -0.03 1.44 0.11 0.00 0.00 0.00 0.00 51.96 53.47 2bys s ALA 179 Cb -0.01 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 2bys s ALA 179 CO -0.04 -1.14 -0.20 0.95 0.00 0.00 0.00 175.76 175.32 2bys s THR 180 N 2.68 2.31 -0.08 0.00 -4.23 -0.41 -1.58 115.64 114.32 2bys s THR 180 Ca 0.10 -2.27 -0.01 0.00 -1.18 0.00 0.00 61.69 58.33 2bys s THR 180 Cb -0.14 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.53 2bys s THR 180 CO -0.17 -0.36 -0.02 0.00 -0.54 0.00 0.00 174.62 173.53 2bys s GLN 181 N -3.30 0.88 -0.03 3.99 -2.07 0.73 -1.46 119.66 118.41 2bys s GLN 181 Ca 0.26 -0.01 -0.00 0.00 -1.82 0.00 0.00 55.36 53.79 2bys s GLN 181 Cb -0.05 -1.13 0.03 0.00 -1.09 0.00 0.00 33.01 30.76 2bys s GLN 181 CO 0.12 -0.27 0.02 0.99 -1.32 0.00 0.00 175.29 174.83 2bys s THR 182 N 1.81 0.05 0.21 3.63 2.01 -0.55 -4.19 115.64 118.61 2bys s THR 182 Ca 0.04 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 2bys s THR 182 Cb -0.12 -0.18 -0.09 0.00 0.01 0.00 0.00 72.50 72.11 2bys s THR 182 CO -0.06 0.13 1.41 -0.60 -0.69 0.00 0.00 174.62 174.81 2bys s ARG 183 N 1.21 4.30 0.18 4.92 3.52 -1.26 -0.47 118.95 131.35 2bys s ARG 183 Ca -0.07 2.21 0.02 0.00 -0.13 0.00 0.00 55.73 57.75 2bys s ARG 183 Cb -0.13 -3.15 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 2bys s ARG 183 CO -0.03 -0.39 0.01 -0.65 -0.81 0.00 0.00 175.30 173.44 2bys s GLN 184 N -0.02 1.12 -0.10 5.12 -0.21 0.60 -4.93 119.66 121.24 2bys s GLN 184 Ca 0.60 -1.54 0.00 0.00 0.02 0.00 0.00 55.36 54.44 2bys s GLN 184 Cb -0.40 -0.24 0.02 0.00 1.00 0.00 0.00 33.01 33.39 2bys s GLN 184 CO 0.39 -0.14 -0.08 0.08 -2.12 0.00 0.00 175.29 173.41 2bys s VAL 185 N -3.68 1.01 0.14 1.09 1.01 -1.26 -1.60 120.40 117.10 2bys s VAL 185 Ca 0.25 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2bys s VAL 185 Cb 0.06 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2bys s VAL 185 CO 0.04 0.35 -0.03 -1.58 0.00 0.00 0.00 175.10 173.88 2bys s GLN 186 N 1.39 0.98 0.18 2.72 0.74 -0.88 -4.98 119.66 119.81 2bys s GLN 186 Ca -0.01 -1.44 0.07 0.00 0.05 0.00 0.00 55.36 54.03 2bys s GLN 186 Cb -0.13 -0.24 -0.04 0.00 1.10 0.00 0.00 33.01 33.69 2bys s GLN 186 CO -0.05 -0.07 0.01 -1.01 -0.55 0.00 0.00 175.29 173.62 2bys s HIS 187 N -3.64 2.85 0.04 1.67 3.76 -1.26 -1.26 115.29 117.45 2bys s HIS 187 Ca 0.18 -0.14 0.02 0.00 -0.15 0.00 0.00 55.06 54.98 2bys s HIS 187 Cb 0.06 -1.37 -0.02 0.00 1.11 0.00 0.00 32.58 32.35 2bys s HIS 187 CO -0.00 0.52 -0.08 0.71 -0.85 0.00 0.00 174.74 175.04 2bys s TYR 188 N -1.78 0.67 0.45 1.40 1.51 -1.26 -5.00 117.35 113.35 2bys s TYR 188 Ca 0.28 -0.46 0.11 0.00 -1.01 0.00 0.00 57.07 55.99 2bys s TYR 188 Cb -0.09 -0.40 1.02 0.00 -0.11 0.00 0.00 41.96 42.37 2bys s TYR 188 CO 0.19 -0.07 2.08 0.77 -1.11 0.00 0.00 175.55 177.41 2bys h SER 189 N 4.62 0.30 0.13 2.29 0.02 -2.00 -2.34 113.55 116.58 2bys h SER 189 Ca -0.35 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 2bys h SER 189 Cb 1.20 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 2bys h SER 189 CO 0.41 0.21 -0.12 0.00 -1.14 0.00 0.00 176.83 176.20 2bys h PRO 192 N 6.67 1.19 -6.87 0.00 0.11 -1.90 -3.38 132.00 127.82 2bys h PRO 192 Ca -0.35 -0.11 -0.48 0.00 0.11 0.00 0.00 66.00 65.17 2bys h PRO 192 Cb 1.17 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2bys h PRO 192 CO 0.40 0.84 0.37 -1.83 -0.21 0.00 0.00 178.00 177.58 2bys s GLU 193 N -5.88 4.56 0.44 1.05 1.03 -1.26 -4.95 118.70 113.70 2bys s GLU 193 Ca -0.12 1.45 -0.22 0.00 0.03 0.00 0.00 54.97 56.11 2bys s GLU 193 Cb 0.17 -2.89 -0.09 0.00 -0.80 0.00 0.00 34.13 30.52 2bys s GLU 193 CO 0.81 0.24 1.02 -1.25 -1.33 0.00 0.00 175.26 174.75 2bys s PRO 194 N -1.90 4.03 -0.06 -4.83 0.04 -1.26 -4.66 135.00 126.35 2bys s PRO 194 Ca 0.49 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.91 2bys s PRO 194 Cb -0.22 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 2bys s PRO 194 CO 0.28 -0.23 -0.14 0.71 0.04 0.00 0.00 177.00 177.66 2bys s TYR 195 N -1.92 2.71 -0.08 0.56 2.02 -0.39 0.10 117.35 120.35 2bys s TYR 195 Ca 0.63 -0.22 -0.14 0.00 -0.37 0.00 0.00 57.07 56.96 2bys s TYR 195 Cb -0.16 -1.66 -0.05 0.00 -0.40 0.00 0.00 41.96 39.69 2bys s TYR 195 CO 0.21 0.14 0.36 0.42 -1.57 0.00 0.00 175.55 175.10 2bys s ILE 196 N -0.60 5.19 0.17 2.71 -1.09 -1.26 -2.07 121.20 124.25 2bys s ILE 196 Ca 0.09 0.71 0.06 0.00 -2.23 0.00 0.00 60.65 59.27 2bys s ILE 196 Cb -0.11 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 2bys s ILE 196 CO 0.01 0.48 -0.12 1.51 -1.23 0.00 0.00 174.94 175.59 2bys s ASP 197 N -0.30 2.11 -0.21 3.58 1.47 -0.63 -4.25 116.67 118.44 2bys s ASP 197 Ca 0.21 -1.00 -0.03 0.00 1.18 0.00 0.00 52.55 52.91 2bys s ASP 197 Cb -0.15 -0.06 -0.01 0.00 -0.34 0.00 0.00 42.92 42.36 2bys s ASP 197 CO 0.09 -0.25 -0.06 -0.69 0.68 0.00 0.00 175.17 174.94 2bys s VAL 198 N -3.10 3.32 -0.23 2.11 1.01 -0.27 -0.29 120.40 122.95 2bys s VAL 198 Ca 0.18 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 2bys s VAL 198 Cb 0.01 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 2bys s VAL 198 CO 0.03 0.44 0.24 0.21 0.00 0.00 0.00 175.10 176.02 2bys s ASN 199 N 1.32 6.21 -0.34 3.32 2.47 0.38 -1.17 114.94 127.13 2bys s ASN 199 Ca 0.04 0.23 -0.10 0.00 0.42 0.00 0.00 52.86 53.44 2bys s ASN 199 Cb -0.14 -2.15 0.01 0.00 -1.45 0.00 0.00 41.25 37.51 2bys s ASN 199 CO -0.03 0.00 0.18 -0.22 -3.72 0.00 0.00 177.10 173.32 2bys s LEU 200 N 1.24 4.38 -0.14 3.21 2.96 0.27 -1.48 118.68 129.13 2bys s LEU 200 Ca 0.11 -0.70 0.00 0.00 -0.22 0.00 0.00 54.13 53.33 2bys s LEU 200 Cb -0.14 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 2bys s LEU 200 CO 0.06 -0.27 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.99 2bys s VAL 201 N 1.60 2.90 -0.05 1.68 1.01 -0.54 -0.85 120.40 126.15 2bys s VAL 201 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2bys s VAL 201 Cb -0.18 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.01 2bys s VAL 201 CO 0.07 0.52 -0.02 -0.69 0.00 0.00 0.00 175.10 174.97 2bys s VAL 202 N 0.50 0.45 -0.13 2.92 1.01 -0.38 -1.29 120.40 123.47 2bys s VAL 202 Ca -0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 2bys s VAL 202 Cb -0.16 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2bys s VAL 202 CO 0.04 0.23 0.04 -0.75 0.00 0.00 0.00 175.10 174.67 2bys s LYS 203 N 1.31 3.44 0.11 2.72 2.20 -0.74 -1.51 119.74 127.27 2bys s LYS 203 Ca -0.05 -0.34 -0.16 0.00 -0.36 0.00 0.00 55.97 55.06 2bys s LYS 203 Cb -0.13 -3.01 0.03 0.00 -1.51 0.00 0.00 37.83 33.20 2bys s LYS 203 CO -0.02 0.55 0.39 -0.59 -0.36 0.00 0.00 175.35 175.31 2bys s PHE 204 N -0.42 -0.19 0.22 4.03 -0.12 0.04 -0.73 117.98 120.82 2bys s PHE 204 Ca 0.09 -0.09 -0.13 0.00 -0.05 0.00 0.00 56.93 56.75 2bys s PHE 204 Cb -0.12 0.23 0.00 0.00 -0.63 0.00 0.00 43.02 42.50 2bys s PHE 204 CO 0.02 -0.67 0.46 -0.98 -0.05 0.00 0.00 175.22 174.00 2bys s ARG 205 N -3.58 1.43 0.28 1.99 1.70 -0.85 -0.24 118.95 119.69 2bys s ARG 205 Ca 0.02 -1.13 -0.29 0.00 -0.47 0.00 0.00 55.73 53.85 2bys s ARG 205 Cb 0.02 0.47 -0.10 0.00 -0.57 0.00 0.00 34.95 34.77 2bys s ARG 205 CO -0.10 -0.59 1.27 -1.21 -1.08 0.00 0.00 175.30 173.59 2bys s GLU 206 N -3.97 4.42 0.44 3.89 2.02 0.03 -0.48 118.70 125.05 2bys s GLU 206 Ca 0.18 2.09 -0.24 0.00 0.02 0.00 0.00 54.97 57.02 2bys s GLU 206 Cb -0.00 -3.13 -0.08 0.00 0.10 0.00 0.00 34.13 31.02 2bys s GLU 206 CO 0.04 -0.14 1.18 0.50 0.02 0.00 0.00 175.26 176.86 2bys s ARG 207 N -1.20 3.85 0.00 1.61 3.52 0.05 -4.74 118.95 122.05 2bys s ARG 207 Ca 0.51 1.82 0.00 0.00 -0.13 0.00 0.00 55.73 57.93 2bys s ARG 207 Cb -0.37 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.51 2bys s ARG 207 CO 0.46 -0.49 0.00 0.54 -0.81 0.00 0.00 175.30 175.00