#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw n GLU 5 N 0.00 -4.10 -3.51 0.00 1.02 -1.26 -5.05 120.64 107.74 3cpw n GLU 5 Ca 0.00 3.07 -0.24 0.00 -0.02 0.00 0.00 57.16 59.97 3cpw n GLU 5 Cb 0.00 -3.59 -0.14 0.00 -0.02 0.00 0.00 31.44 27.69 3cpw n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3cpw s PHE 6 N -0.44 -0.01 -0.99 -0.32 5.36 -1.26 -5.06 117.98 115.26 3cpw s PHE 6 Ca 0.00 -0.40 -0.26 0.00 -0.96 0.00 0.00 56.93 55.31 3cpw s PHE 6 Cb 0.00 -0.66 -0.16 0.00 -0.34 0.00 0.00 43.02 41.87 3cpw s PHE 6 CO 0.00 -0.75 2.16 -0.51 -1.46 0.00 0.00 175.22 174.65 3cpw s ASP 7 N 2.21 4.00 -0.22 6.13 1.01 -1.26 -4.89 116.67 123.66 3cpw s ASP 7 Ca 0.07 -0.74 -0.21 0.00 0.71 0.00 0.00 52.55 52.38 3cpw s ASP 7 Cb -0.15 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.18 3cpw s ASP 7 CO -0.26 -4.02 0.67 0.00 0.21 0.00 0.00 175.17 171.77 3cpw s ALA 8 N 14.67 3.58 0.23 5.23 0.00 -1.26 -4.80 121.76 139.41 3cpw s ALA 8 Ca 0.81 -0.29 0.22 0.00 0.00 0.00 0.00 51.96 52.71 3cpw s ALA 8 Cb -0.07 -3.05 0.93 0.00 0.00 0.00 0.00 23.12 20.93 3cpw s ALA 8 CO 0.12 -0.70 1.85 -0.44 0.00 0.00 0.00 175.76 176.59 3cpw h ASP 9 N 7.64 0.00 -3.55 0.00 3.32 -1.18 -3.43 116.42 119.21 3cpw h ASP 9 Ca -0.29 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.50 3cpw h ASP 9 Cb 1.13 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.36 3cpw h ASP 9 CO 0.79 0.27 -0.67 -0.69 -1.72 0.00 0.00 179.24 177.22 3cpw s VAL 10 N -3.80 -0.04 -0.28 -1.35 1.01 -0.93 -4.99 120.40 110.01 3cpw s VAL 10 Ca -0.01 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 3cpw s VAL 10 Cb 0.11 -0.13 0.05 0.00 0.00 0.00 0.00 36.38 36.41 3cpw s VAL 10 CO 0.65 0.06 -0.04 -0.63 0.00 0.00 0.00 175.10 175.14 3cpw s ILE 11 N 0.83 2.75 -0.08 2.22 1.01 -1.26 -1.54 121.20 125.12 3cpw s ILE 11 Ca -0.07 -1.40 -0.08 0.00 0.00 0.00 0.00 60.65 59.10 3cpw s ILE 11 Cb -0.09 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 3cpw s ILE 11 CO -0.03 -0.04 0.21 -0.69 0.00 0.00 0.00 174.94 174.38 3cpw s VAL 12 N 1.22 5.39 -0.40 2.92 1.01 -0.36 -0.37 120.40 129.81 3cpw s VAL 12 Ca -0.06 0.33 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 3cpw s VAL 12 Cb -0.19 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.73 3cpw s VAL 12 CO -0.03 0.58 0.28 -0.62 0.00 0.00 0.00 175.10 175.32 3cpw s ASP 13 N -1.12 6.01 0.38 3.32 -1.08 0.33 0.35 116.67 124.86 3cpw s ASP 13 Ca 0.18 -0.95 0.26 0.00 -0.52 0.00 0.00 52.55 51.52 3cpw s ASP 13 Cb -0.13 -2.12 0.68 0.00 -1.46 0.00 0.00 42.92 39.88 3cpw s ASP 13 CO 0.07 -0.44 1.72 0.00 0.52 0.00 0.00 175.17 177.04 3cpw h ALA 14 N 8.58 1.00 -1.29 3.66 0.00 -1.48 -3.44 119.26 126.29 3cpw h ALA 14 Ca -0.27 0.00 -0.79 0.00 0.00 0.00 0.00 54.91 53.85 3cpw h ALA 14 Cb 1.11 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.93 3cpw h ALA 14 CO 0.72 0.00 0.66 -2.13 0.00 0.00 0.00 179.25 178.50 3cpw n ARG 15 N -2.80 0.58 -1.94 0.00 0.63 -1.26 -0.32 116.66 111.55 3cpw n ARG 15 Ca 0.04 0.21 -0.19 0.00 -0.92 0.00 0.00 57.85 56.99 3cpw n ARG 15 Cb 0.44 -1.80 -0.05 0.00 0.45 0.00 0.00 32.46 31.51 3cpw n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3cpw n ASP 16 N 4.03 -5.43 -4.44 6.15 9.92 -0.88 -4.94 116.55 120.95 3cpw n ASP 16 Ca 0.26 0.24 -0.32 0.00 -0.53 0.00 0.00 54.79 54.44 3cpw n ASP 16 Cb 0.06 -4.55 -0.14 0.00 -0.64 0.00 0.00 41.12 35.85 3cpw n ASP 16 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3cpw s ILE 18 N -0.65 3.14 0.17 0.00 1.01 0.08 -1.45 121.20 123.50 3cpw s ILE 18 Ca 0.10 0.14 -0.26 0.00 0.00 0.00 0.00 60.65 60.63 3cpw s ILE 18 Cb -0.11 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.19 3cpw s ILE 18 CO 0.01 -0.13 1.56 -0.03 0.00 0.00 0.00 174.94 176.34 3cpw h MET 19 N 14.86 -0.19 -0.78 2.79 1.85 -1.37 -1.37 114.93 130.72 3cpw h MET 19 Ca -0.37 0.01 0.13 0.00 -0.61 0.00 0.00 59.70 58.86 3cpw h MET 19 Cb 1.22 0.04 -0.09 0.00 0.43 0.00 0.00 31.60 33.21 3cpw h MET 19 CO 1.00 -0.13 0.38 0.78 -0.40 0.00 0.00 176.91 178.54 3cpw h GLY 20 N -0.20 1.22 1.64 1.39 0.00 -1.90 0.50 103.07 105.72 3cpw h GLY 20 Ca 0.18 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 3cpw h GLY 20 CO -0.73 -0.02 -0.37 3.21 0.00 0.00 0.00 176.54 178.63 3cpw h ARG 21 N 0.58 0.41 0.23 4.80 3.08 -1.70 -2.00 114.38 119.77 3cpw h ARG 21 Ca 0.41 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 3cpw h ARG 21 Cb 0.55 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3cpw h ARG 21 CO -0.34 0.73 -0.11 0.28 -1.07 0.00 0.00 179.97 179.46 3cpw h VAL 22 N 0.34 0.81 -0.87 2.04 2.07 -0.40 -3.20 116.25 117.05 3cpw h VAL 22 Ca 0.04 -0.80 0.18 0.00 0.82 0.00 0.00 66.70 66.93 3cpw h VAL 22 Cb 0.82 1.23 -0.11 0.00 -1.52 0.00 0.00 31.29 31.71 3cpw h VAL 22 CO 0.07 0.16 0.42 0.00 0.02 0.00 0.00 177.57 178.23 3cpw h ALA 23 N -0.16 1.35 -0.74 1.67 0.00 -0.88 -0.50 119.26 120.00 3cpw h ALA 23 Ca -0.03 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3cpw h ALA 23 Cb 0.50 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3cpw h ALA 23 CO 0.05 -0.21 0.49 1.03 0.00 0.00 0.00 179.25 180.61 3cpw h SER 24 N 0.52 0.83 0.44 0.00 0.87 -1.39 -1.09 113.55 113.73 3cpw h SER 24 Ca 0.51 -0.02 -0.30 0.00 -1.23 0.00 0.00 61.79 60.75 3cpw h SER 24 Cb 0.85 -0.20 0.02 0.00 -0.44 0.00 0.00 62.40 62.62 3cpw h SER 24 CO -0.44 0.59 -1.30 1.56 -0.53 0.00 0.00 176.83 176.71 3cpw h GLN 25 N 0.97 0.40 -0.15 2.24 4.20 -1.14 -2.84 115.11 118.80 3cpw h GLN 25 Ca 0.28 -0.65 -0.06 0.00 0.06 0.00 0.00 58.65 58.27 3cpw h GLN 25 Cb -0.07 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3cpw h GLN 25 CO -0.07 1.30 -0.18 0.28 -0.67 0.00 0.00 178.83 179.50 3cpw h VAL 26 N 0.13 1.21 0.31 -0.54 2.07 -0.93 -1.87 116.25 116.62 3cpw h VAL 26 Ca -0.18 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 3cpw h VAL 26 Cb 2.01 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 3cpw h VAL 26 CO 0.23 0.29 -0.15 0.00 0.02 0.00 0.00 177.57 177.96 3cpw h ALA 27 N 1.59 -0.41 -1.00 1.67 0.00 -1.24 -1.44 119.26 118.42 3cpw h ALA 27 Ca 0.04 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 54.98 3cpw h ALA 27 Cb 0.46 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 3cpw h ALA 27 CO 0.03 -0.52 0.62 1.49 0.00 0.00 0.00 179.25 180.86 3cpw h GLU 28 N -0.83 0.59 0.04 0.00 4.57 -1.34 -0.60 114.58 117.01 3cpw h GLU 28 Ca -0.04 -0.04 -0.22 0.00 -1.18 0.00 0.00 59.36 57.88 3cpw h GLU 28 Cb 0.52 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3cpw h GLU 28 CO 0.07 0.39 -1.00 1.96 -1.18 0.00 0.00 179.01 179.25 3cpw h GLN 29 N 0.61 0.22 -0.21 1.92 4.20 -1.30 -2.83 115.11 117.73 3cpw h GLN 29 Ca 0.59 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.90 3cpw h GLN 29 Cb 1.13 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 3cpw h GLN 29 CO -0.37 1.05 -0.34 0.00 -0.67 0.00 0.00 178.83 178.50 3cpw h ALA 30 N 0.83 1.02 0.00 3.87 0.00 -0.03 0.72 119.26 125.68 3cpw h ALA 30 Ca -0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3cpw h ALA 30 Cb 1.68 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 3cpw h ALA 30 CO 0.16 0.59 -0.03 -0.07 0.00 0.00 0.00 179.25 179.90 3cpw h LEU 31 N 0.38 0.00 -0.72 0.00 3.38 -1.23 -1.80 115.31 115.32 3cpw h LEU 31 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3cpw h LEU 31 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3cpw h LEU 31 CO 0.06 0.03 0.00 0.47 0.09 0.00 0.00 178.44 179.09 3cpw n ASP 32 N -3.12 1.11 0.00 -0.43 8.00 -0.67 -4.90 116.55 116.54 3cpw n ASP 32 Ca 0.02 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.11 3cpw n ASP 32 Cb 0.39 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 3cpw n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cpw n GLY 33 N 1.11 0.68 3.75 0.44 0.00 -0.68 -5.07 105.19 105.43 3cpw n GLY 33 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3cpw n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cpw s GLU 34 N -0.93 4.69 -0.34 1.61 0.41 0.16 -4.98 118.70 119.33 3cpw s GLU 34 Ca 0.00 1.34 -0.21 0.00 -0.41 0.00 0.00 54.97 55.69 3cpw s GLU 34 Cb 0.00 -3.32 -0.00 0.00 -1.78 0.00 0.00 34.13 29.03 3cpw s GLU 34 CO 0.00 0.41 0.65 0.99 -0.49 0.00 0.00 175.26 176.82 3cpw s THR 35 N -0.66 4.89 -0.04 3.63 2.01 -1.26 -4.09 115.64 120.12 3cpw s THR 35 Ca 0.41 0.73 0.03 0.00 0.31 0.00 0.00 61.69 63.17 3cpw s THR 35 Cb -0.24 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 3cpw s THR 35 CO 0.29 -0.25 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.15 3cpw s VAL 36 N 2.70 3.21 -0.23 3.82 1.01 -0.70 -0.58 120.40 129.63 3cpw s VAL 36 Ca 0.25 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3cpw s VAL 36 Cb -0.15 -2.29 0.06 0.00 0.00 0.00 0.00 36.38 34.01 3cpw s VAL 36 CO 0.14 0.55 -0.06 0.00 0.00 0.00 0.00 175.10 175.73 3cpw s ALA 37 N -0.79 1.97 -0.13 5.51 0.00 -0.59 -1.34 121.76 126.40 3cpw s ALA 37 Ca 0.12 -1.36 -0.23 0.00 0.00 0.00 0.00 51.96 50.49 3cpw s ALA 37 Cb -0.11 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 3cpw s ALA 37 CO 0.02 -1.18 0.73 0.08 0.00 0.00 0.00 175.76 175.40 3cpw s VAL 38 N 1.39 4.99 0.15 0.00 1.01 0.01 -1.22 120.40 126.73 3cpw s VAL 38 Ca -0.06 1.45 0.07 0.00 0.00 0.00 0.00 61.98 63.44 3cpw s VAL 38 Cb -0.19 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3cpw s VAL 38 CO -0.06 0.15 0.01 -0.69 0.00 0.00 0.00 175.10 174.51 3cpw s VAL 39 N 1.45 3.84 -1.32 2.92 1.01 0.16 -0.51 120.40 127.95 3cpw s VAL 39 Ca 0.36 -1.30 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 3cpw s VAL 39 Cb -0.17 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.31 3cpw s VAL 39 CO 0.15 -0.06 1.07 0.59 0.00 0.00 0.00 175.10 176.85 3cpw n ASN 40 N 0.02 -4.40 -0.30 3.32 3.02 0.13 -1.39 115.26 115.66 3cpw n ASN 40 Ca -0.10 -0.62 0.05 0.00 -0.03 0.00 0.00 54.58 53.89 3cpw n ASN 40 Cb 0.54 -4.86 0.20 0.00 -0.61 0.00 0.00 39.78 35.05 3cpw n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cpw h ALA 41 N 0.96 1.24 -0.06 5.41 0.00 -1.41 -0.51 119.26 124.90 3cpw h ALA 41 Ca -0.58 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.40 3cpw h ALA 41 Cb 1.36 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3cpw h ALA 41 CO 0.55 0.01 0.30 1.05 0.00 0.00 0.00 179.25 181.16 3cpw h GLU 42 N 0.72 0.00 -0.23 0.00 9.09 -1.86 0.61 114.58 122.90 3cpw h GLU 42 Ca 0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.84 3cpw h GLU 42 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 3cpw h GLU 42 CO -0.30 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.30 3cpw n ARG 43 N -3.06 2.25 -0.97 1.06 1.74 -0.20 -1.21 116.66 116.27 3cpw n ARG 43 Ca -0.01 -2.04 -0.30 0.00 -0.77 0.00 0.00 57.85 54.73 3cpw n ARG 43 Cb 0.37 -1.45 0.16 0.00 -1.02 0.00 0.00 32.46 30.52 3cpw n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cpw s ALA 44 N -1.56 1.20 0.08 7.54 0.00 0.20 -2.08 121.76 127.15 3cpw s ALA 44 Ca 0.32 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.39 3cpw s ALA 44 Cb 0.20 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 3cpw s ALA 44 CO 0.28 -2.68 -0.06 0.54 0.00 0.00 0.00 175.76 173.84 3cpw s VAL 45 N -2.78 0.58 -0.04 0.00 0.11 -0.53 -1.74 120.40 116.00 3cpw s VAL 45 Ca 0.65 -1.71 0.00 0.00 -2.93 0.00 0.00 61.98 57.99 3cpw s VAL 45 Cb -0.20 -1.40 0.02 0.00 -1.53 0.00 0.00 36.38 33.27 3cpw s VAL 45 CO 0.59 -0.78 -0.02 0.27 -3.33 0.00 0.00 175.10 171.82 3cpw s ILE 46 N -3.15 0.36 0.82 7.04 -4.36 -0.56 -0.93 121.20 120.42 3cpw s ILE 46 Ca 0.06 0.01 -0.11 0.00 -0.26 0.00 0.00 60.65 60.35 3cpw s ILE 46 Cb 0.02 -0.44 0.08 0.00 1.25 0.00 0.00 42.46 43.38 3cpw s ILE 46 CO -0.04 0.20 1.09 -0.89 0.24 0.00 0.00 174.94 175.53 3cpw s THR 47 N 1.15 3.07 -0.68 8.37 2.01 -1.26 -1.23 115.64 127.07 3cpw s THR 47 Ca -0.08 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.27 3cpw s THR 47 Cb -0.14 -2.89 0.00 0.00 0.01 0.00 0.00 72.50 69.48 3cpw s THR 47 CO -0.01 -0.45 0.00 0.61 -0.69 0.00 0.00 174.62 174.07 3cpw n GLY 48 N -1.37 0.32 3.50 4.40 0.00 -0.64 -4.85 105.19 106.55 3cpw n GLY 48 Ca 0.08 -2.26 -0.43 0.00 0.00 0.00 0.00 46.02 43.41 3cpw n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cpw s ARG 49 N -0.28 3.24 0.38 1.61 3.52 -1.26 -2.94 118.95 123.22 3cpw s ARG 49 Ca 0.00 -0.50 0.26 0.00 -0.13 0.00 0.00 55.73 55.36 3cpw s ARG 49 Cb 0.00 -4.00 1.31 0.00 -1.56 0.00 0.00 34.95 30.69 3cpw s ARG 49 CO 0.00 -1.13 1.42 -1.91 -0.81 0.00 0.00 175.30 172.87 3cpw n GLU 50 N 6.39 -0.04 -0.02 5.12 2.13 -1.26 -0.88 120.64 132.08 3cpw n GLU 50 Ca -0.03 1.18 -0.12 0.00 0.66 0.00 0.00 57.16 58.86 3cpw n GLU 50 Cb 0.47 -2.25 -0.07 0.00 0.27 0.00 0.00 31.44 29.87 3cpw n GLU 50 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3cpw h GLU 51 N 0.00 0.15 -0.02 5.31 3.07 -1.99 -1.64 114.58 119.45 3cpw h GLU 51 Ca 0.79 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 59.46 3cpw h GLU 51 Cb 2.38 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 30.25 3cpw h GLU 51 CO -0.53 0.33 -0.68 -0.56 -1.40 0.00 0.00 179.01 176.17 3cpw h GLN 52 N -0.06 0.11 0.08 2.33 -0.00 -1.43 -2.28 115.11 113.86 3cpw h GLN 52 Ca 0.03 -0.09 -0.00 0.00 -0.00 0.00 0.00 58.65 58.59 3cpw h GLN 52 Cb 0.24 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.74 3cpw h GLN 52 CO 0.00 0.75 -0.04 0.82 -0.00 0.00 0.00 178.83 180.36 3cpw h ILE 53 N 0.07 0.98 -0.27 1.86 2.04 -1.31 -2.56 117.51 118.32 3cpw h ILE 53 Ca -0.01 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3cpw h ILE 53 Cb 1.21 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 3cpw h ILE 53 CO 0.10 0.05 0.00 0.58 0.00 0.00 0.00 178.15 178.88 3cpw h VAL 54 N -0.20 1.16 -0.70 1.67 2.07 -1.27 -2.28 116.25 116.72 3cpw h VAL 54 Ca -0.01 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3cpw h VAL 54 Cb 0.16 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3cpw h VAL 54 CO 0.02 0.22 0.37 -0.33 0.02 0.00 0.00 177.57 177.86 3cpw h GLU 55 N 0.39 0.98 -0.39 1.57 5.08 -1.18 0.38 114.58 121.41 3cpw h GLU 55 Ca 0.09 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3cpw h GLU 55 Cb 0.26 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3cpw h GLU 55 CO 0.01 0.75 0.12 -0.22 -1.00 0.00 0.00 179.01 178.66 3cpw h LYS 56 N 0.96 0.61 0.00 2.33 3.64 -1.02 -0.31 116.57 122.78 3cpw h LYS 56 Ca 0.24 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 3cpw h LYS 56 Cb 0.07 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3cpw h LYS 56 CO -0.04 0.62 -0.31 1.88 -2.27 0.00 0.00 179.45 179.33 3cpw h TYR 57 N 0.49 0.00 0.05 1.91 -1.99 -1.20 -2.58 116.97 113.64 3cpw h TYR 57 Ca 0.13 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.63 3cpw h TYR 57 Cb 0.27 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.99 3cpw h TYR 57 CO 0.01 0.31 -1.03 0.93 -0.00 0.00 0.00 178.16 178.38 3cpw h GLU 58 N 0.00 0.18 -0.69 4.88 5.08 -0.71 -2.90 114.58 120.42 3cpw h GLU 58 Ca -0.00 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 3cpw h GLU 58 Cb 0.89 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 3cpw h GLU 58 CO 0.04 1.06 0.14 -0.22 -1.00 0.00 0.00 179.01 179.03 3cpw h LYS 59 N 0.08 1.13 0.00 2.33 1.63 -0.86 -1.60 116.57 119.28 3cpw h LYS 59 Ca -0.07 -0.29 -0.05 0.00 -0.85 0.00 0.00 60.65 59.39 3cpw h LYS 59 Cb 1.73 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 33.21 3cpw h LYS 59 CO 0.16 1.01 -0.23 0.00 -3.45 0.00 0.00 179.45 176.94 3cpw h ARG 60 N 1.06 0.00 -0.01 1.90 3.08 -1.44 -0.95 114.38 118.02 3cpw h ARG 60 Ca 0.21 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.08 3cpw h ARG 60 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3cpw h ARG 60 CO 0.01 0.23 -0.82 0.28 -1.07 0.00 0.00 179.97 178.61 3cpw h VAL 61 N 0.00 1.48 0.00 2.04 2.07 -1.19 -3.27 116.25 117.38 3cpw h VAL 61 Ca -0.00 -2.50 -0.11 0.00 0.82 0.00 0.00 66.70 64.91 3cpw h VAL 61 Cb 0.44 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 3cpw h VAL 61 CO 0.03 0.73 -0.64 0.44 0.02 0.00 0.00 177.57 178.15 3cpw h ASP 62 N 0.11 0.00 -4.14 0.57 3.32 -0.56 -3.46 116.42 112.26 3cpw h ASP 62 Ca -0.03 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.48 3cpw h ASP 62 Cb 1.42 0.00 0.14 0.00 0.22 0.00 0.00 39.33 41.11 3cpw h ASP 62 CO 0.12 0.50 0.44 -0.63 -1.72 0.00 0.00 179.24 177.95 3cpw s ILE 63 N -2.96 2.44 0.00 0.35 1.01 -0.43 -4.95 121.20 116.66 3cpw s ILE 63 Ca 0.03 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.92 3cpw s ILE 63 Cb 0.08 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.61 3cpw s ILE 63 CO 0.76 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 176.21 3cpw n GLY 64 N 0.43 0.25 0.00 6.18 0.00 -1.26 -4.67 105.19 106.12 3cpw n GLY 64 Ca 0.14 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3cpw n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cpw n ASN 65 N 0.00 0.00 -0.38 1.61 0.23 -1.26 -4.92 115.26 110.54 3cpw n ASN 65 Ca 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 54.04 3cpw n ASN 65 Cb 0.00 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 37.83 3cpw n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3cpw h ASP 66 N 0.00 1.12 -0.79 0.53 3.32 -2.06 -0.53 116.42 118.01 3cpw h ASP 66 Ca 0.00 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3cpw h ASP 66 Cb 0.00 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 3cpw h ASP 66 CO 0.00 0.78 0.36 -1.13 -1.72 0.00 0.00 179.24 177.53 3cpw h ASN 67 N 1.31 1.05 -1.17 6.45 -0.73 -2.05 -3.48 115.58 116.94 3cpw h ASN 67 Ca 0.39 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.41 3cpw h ASN 67 Cb -0.06 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.26 3cpw h ASN 67 CO -0.11 0.90 0.00 0.61 -0.37 0.00 0.00 177.43 178.46 3cpw n GLY 68 N -0.96 1.08 2.28 1.57 0.00 -0.21 -4.98 105.19 103.97 3cpw n GLY 68 Ca 0.07 -1.50 -0.20 0.00 0.00 0.00 0.00 46.02 44.39 3cpw n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3cpw n TYR 69 N 1.37 0.61 -1.52 1.61 9.36 -1.26 -4.82 117.16 122.51 3cpw n TYR 69 Ca 0.00 -3.81 -0.47 0.00 3.32 0.00 0.00 57.90 56.94 3cpw n TYR 69 Cb 0.00 -0.42 -0.05 0.00 -0.63 0.00 0.00 39.34 38.24 3cpw n TYR 69 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3cpw n PHE 70 N 0.40 1.76 -4.92 2.98 7.35 -1.26 -4.80 117.46 118.97 3cpw n PHE 70 Ca 0.25 0.08 -0.33 0.00 -0.76 0.00 0.00 57.45 56.70 3cpw n PHE 70 Cb 0.60 -2.62 -0.15 0.00 0.35 0.00 0.00 39.48 37.66 3cpw n PHE 70 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 3cpw s TYR 71 N 7.94 2.71 0.63 -5.13 5.04 -1.26 -5.11 117.35 122.17 3cpw s TYR 71 Ca 1.06 -0.84 -0.18 0.00 -2.44 0.00 0.00 57.07 54.67 3cpw s TYR 71 Cb -0.60 -1.80 -0.02 0.00 0.35 0.00 0.00 41.96 39.89 3cpw s TYR 71 CO 0.42 -0.31 1.26 -1.25 -1.34 0.00 0.00 175.55 174.32 3cpw s PRO 72 N 0.39 2.70 -0.02 4.97 0.04 -1.26 -4.91 135.00 136.91 3cpw s PRO 72 Ca -0.14 1.96 0.03 0.00 0.04 0.00 0.00 61.00 62.89 3cpw s PRO 72 Cb -0.17 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 3cpw s PRO 72 CO 0.06 -1.45 0.03 1.63 0.04 0.00 0.00 177.00 177.31 3cpw n LYS 73 N -1.81 2.28 -2.67 4.56 5.02 -1.26 -4.65 118.16 119.63 3cpw n LYS 73 Ca 0.15 -0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 56.09 3cpw n LYS 73 Cb 0.49 -1.07 -0.05 0.00 -0.02 0.00 0.00 35.03 34.37 3cpw n LYS 73 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3cpw s ARG 74 N -2.12 4.01 0.61 1.97 1.81 -1.26 -4.19 118.95 119.77 3cpw s ARG 74 Ca -0.01 1.23 0.35 0.00 -1.72 0.00 0.00 55.73 55.58 3cpw s ARG 74 Cb 0.01 -2.14 1.97 0.00 -0.45 0.00 0.00 34.95 34.35 3cpw s ARG 74 CO 0.12 -0.24 2.26 -1.00 -0.68 0.00 0.00 175.30 175.76 3cpw h PRO 75 N 1.70 0.00 0.00 3.54 0.13 -1.94 -0.82 132.00 134.61 3cpw h PRO 75 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3cpw h PRO 75 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3cpw h PRO 75 CO 0.60 0.02 0.00 -3.47 -0.23 0.00 0.00 178.00 174.92 3cpw n ASP 76 N -3.47 0.00 -0.12 1.44 -0.08 -1.26 -2.41 116.55 110.65 3cpw n ASP 76 Ca -0.03 0.98 -0.13 0.00 -1.51 0.00 0.00 54.79 54.10 3cpw n ASP 76 Cb 0.12 -0.48 -0.02 0.00 2.34 0.00 0.00 41.12 43.08 3cpw n ASP 76 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3cpw h GLY 77 N 0.00 0.98 -0.41 0.27 0.00 -1.87 -2.84 103.07 99.20 3cpw h GLY 77 Ca 0.00 -0.97 0.12 0.00 0.00 0.00 0.00 47.33 46.48 3cpw h GLY 77 CO 0.00 0.88 -0.25 -2.22 0.00 0.00 0.00 176.54 174.95 3cpw h ILE 78 N 0.71 0.24 -0.36 2.60 1.08 -1.19 0.32 117.51 120.91 3cpw h ILE 78 Ca 0.07 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.52 3cpw h ILE 78 Cb 0.91 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 3cpw h ILE 78 CO 0.08 0.00 0.13 0.15 -0.69 0.00 0.00 178.15 177.83 3cpw h PHE 79 N -0.08 0.56 0.00 1.37 -0.00 -1.49 -1.26 116.94 116.04 3cpw h PHE 79 Ca 0.29 -0.05 -0.06 0.00 -0.00 0.00 0.00 57.97 58.15 3cpw h PHE 79 Cb 0.53 -0.17 -0.01 0.00 -0.00 0.00 0.00 35.95 36.31 3cpw h PHE 79 CO -0.60 0.52 -0.30 -0.22 -0.00 0.00 0.00 178.31 177.72 3cpw h LYS 80 N 0.43 0.00 -0.05 1.11 3.64 -0.80 -1.98 116.57 118.93 3cpw h LYS 80 Ca 0.12 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.29 3cpw h LYS 80 Cb 0.21 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3cpw h LYS 80 CO -0.01 0.30 -0.82 -0.09 -2.27 0.00 0.00 179.45 176.56 3cpw h ARG 81 N 0.00 0.43 -0.95 1.90 9.65 -0.26 -1.97 114.38 123.19 3cpw h ARG 81 Ca -0.00 -0.40 0.04 0.00 -1.10 0.00 0.00 59.98 58.52 3cpw h ARG 81 Cb 0.59 0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 29.21 3cpw h ARG 81 CO 0.04 1.05 0.62 1.15 2.80 0.00 0.00 179.97 185.62 3cpw h THR 82 N 0.27 1.15 -0.15 0.20 2.02 -0.53 -1.94 112.91 113.93 3cpw h THR 82 Ca -0.05 -0.40 -0.20 0.00 0.77 0.00 0.00 66.41 66.53 3cpw h THR 82 Cb 1.43 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3cpw h THR 82 CO 0.14 0.21 -0.71 0.40 0.37 0.00 0.00 175.52 175.94 3cpw h ILE 83 N 1.18 1.31 0.00 3.11 2.04 -1.23 -3.16 117.51 120.76 3cpw h ILE 83 Ca 0.38 -1.98 -0.03 0.00 1.00 0.00 0.00 64.86 64.24 3cpw h ILE 83 Cb 0.04 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3cpw h ILE 83 CO -0.12 0.62 -0.14 -0.09 0.00 0.00 0.00 178.15 178.41 3cpw h ARG 84 N 0.46 0.00 0.00 2.37 2.43 -0.64 0.11 114.38 119.10 3cpw h ARG 84 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3cpw h ARG 84 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3cpw h ARG 84 CO 0.14 0.14 0.00 0.41 -1.51 0.00 0.00 179.97 179.15 3cpw n GLY 85 N -0.98 -0.91 0.41 2.80 0.00 -0.82 -2.04 105.19 103.64 3cpw n GLY 85 Ca -0.02 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.92 3cpw n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cpw n MET 86 N -1.15 2.61 -4.14 1.61 2.81 0.02 -4.99 117.12 113.88 3cpw n MET 86 Ca 0.15 -2.19 -0.15 0.00 -1.81 0.00 0.00 57.70 53.70 3cpw n MET 86 Cb 0.14 -1.37 -0.14 0.00 -0.71 0.00 0.00 33.22 31.14 3cpw n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3cpw s LEU 87 N -1.79 2.08 -1.48 4.03 1.43 -0.87 -4.90 118.68 117.18 3cpw s LEU 87 Ca 0.23 -0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 3cpw s LEU 87 Cb 0.17 -0.25 0.02 0.00 0.03 0.00 0.00 46.19 46.16 3cpw s LEU 87 CO 0.07 -0.01 2.35 -0.81 0.23 0.00 0.00 176.35 178.19 3cpw n PRO 88 N 2.53 3.06 0.00 1.29 -0.04 -1.26 -4.70 135.00 135.87 3cpw n PRO 88 Ca -0.16 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.73 3cpw n PRO 88 Cb 0.57 -3.18 0.01 0.00 -0.04 0.00 0.00 33.50 30.86 3cpw n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3cpw n HIS 89 N 5.50 0.00 1.06 0.54 1.44 -1.26 -1.17 115.22 121.33 3cpw n HIS 89 Ca 0.57 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.39 3cpw n HIS 89 Cb 0.36 -0.39 0.10 0.00 0.12 0.00 0.00 29.99 30.18 3cpw n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3cpw n LYS 90 N -1.39 1.54 -3.96 -1.40 5.02 -1.26 -3.94 118.16 112.77 3cpw n LYS 90 Ca 0.00 -1.23 -0.23 0.00 -2.02 0.00 0.00 58.31 54.84 3cpw n LYS 90 Cb 0.00 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 3cpw n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cpw s LYS 91 N -2.31 3.44 0.09 1.97 1.02 -0.31 -4.95 119.74 118.68 3cpw s LYS 91 Ca 0.23 -0.71 -0.33 0.00 0.02 0.00 0.00 55.97 55.18 3cpw s LYS 91 Cb 0.19 -2.91 -0.16 0.00 -0.52 0.00 0.00 37.83 34.43 3cpw s LYS 91 CO 0.47 0.46 1.60 0.37 -0.92 0.00 0.00 175.35 177.33 3cpw h GLN 92 N 1.47 -0.84 -0.96 1.68 4.15 -1.90 0.10 115.11 118.80 3cpw h GLN 92 Ca -0.51 0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.04 3cpw h GLN 92 Cb 1.22 0.19 -0.07 0.00 0.21 0.00 0.00 27.48 29.03 3cpw h GLN 92 CO 0.63 -0.56 0.61 -0.09 -1.93 0.00 0.00 178.83 177.49 3cpw h ARG 93 N -0.88 1.07 -0.14 1.69 2.43 -1.96 -1.26 114.38 115.33 3cpw h ARG 93 Ca -0.06 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 3cpw h ARG 93 Cb 0.74 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3cpw h ARG 93 CO 0.01 0.71 -0.05 0.78 -1.51 0.00 0.00 179.97 179.91 3cpw h GLY 94 N 1.10 0.31 1.80 2.80 0.00 -1.57 -2.16 103.07 105.35 3cpw h GLY 94 Ca 0.42 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.45 3cpw h GLY 94 CO -0.18 0.24 -0.10 -0.09 0.00 0.00 0.00 176.54 176.41 3cpw h ARG 95 N -0.03 0.25 0.01 4.80 2.43 -0.51 -1.12 114.38 120.20 3cpw h ARG 95 Ca 0.04 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3cpw h ARG 95 Cb 0.49 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3cpw h ARG 95 CO 0.02 0.36 -0.01 0.93 -1.51 0.00 0.00 179.97 179.76 3cpw h GLU 96 N 0.24 -0.01 0.30 0.20 5.08 -1.14 -1.25 114.58 117.99 3cpw h GLU 96 Ca 0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3cpw h GLU 96 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3cpw h GLU 96 CO 0.02 0.23 -0.27 0.00 -1.00 0.00 0.00 179.01 177.99 3cpw h ALA 97 N 0.73 -0.58 -0.57 3.43 0.00 -0.98 -2.63 119.26 118.65 3cpw h ALA 97 Ca -0.00 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.92 3cpw h ALA 97 Cb 0.25 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 3cpw h ALA 97 CO 0.00 -0.86 0.11 0.35 0.00 0.00 0.00 179.25 178.85 3cpw h PHE 98 N -0.59 0.16 0.00 0.00 3.57 -1.21 -0.54 116.94 118.33 3cpw h PHE 98 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3cpw h PHE 98 Cb 0.53 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.28 3cpw h PHE 98 CO -0.16 -0.04 0.00 0.39 -2.23 0.00 0.00 178.31 176.27 3cpw n GLU 99 N -5.14 0.09 -1.07 1.11 1.02 -0.48 -1.73 120.64 114.44 3cpw n GLU 99 Ca 0.08 0.21 -0.16 0.00 -0.02 0.00 0.00 57.16 57.27 3cpw n GLU 99 Cb 0.30 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.40 3cpw n GLU 99 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3cpw n SER 100 N -1.40 3.44 -3.85 1.62 3.41 -0.21 -4.88 113.62 111.74 3cpw n SER 100 Ca 0.05 -3.71 -0.15 0.00 -0.26 0.00 0.00 58.87 54.79 3cpw n SER 100 Cb 0.14 -0.74 -0.15 0.00 -0.26 0.00 0.00 64.21 63.19 3cpw n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3cpw s VAL 101 N -3.42 0.14 -0.02 -3.33 1.01 -0.71 -1.72 120.40 112.35 3cpw s VAL 101 Ca 0.52 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 3cpw s VAL 101 Cb 0.45 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.64 3cpw s VAL 101 CO 0.05 0.09 0.06 -0.13 0.00 0.00 0.00 175.10 175.17 3cpw s ARG 102 N 0.54 0.07 -0.03 2.72 0.52 -0.45 -5.00 118.95 117.33 3cpw s ARG 102 Ca -0.05 0.07 0.01 0.00 -0.52 0.00 0.00 55.73 55.24 3cpw s ARG 102 Cb -0.08 0.03 -0.03 0.00 0.52 0.00 0.00 34.95 35.39 3cpw s ARG 102 CO -0.01 -0.01 -0.02 0.08 0.02 0.00 0.00 175.30 175.36 3cpw s VAL 103 N 0.01 4.03 0.13 3.52 1.01 -1.26 -0.81 120.40 127.03 3cpw s VAL 103 Ca -0.00 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.49 3cpw s VAL 103 Cb -0.00 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3cpw s VAL 103 CO 0.00 0.46 -0.13 -0.31 0.00 0.00 0.00 175.10 175.12 3cpw s TYR 104 N -0.99 1.35 -0.24 5.22 1.51 0.34 -4.94 117.35 119.60 3cpw s TYR 104 Ca 0.17 -0.60 -0.16 0.00 -1.01 0.00 0.00 57.07 55.46 3cpw s TYR 104 Cb -0.11 -0.70 -0.03 0.00 -0.11 0.00 0.00 41.96 41.00 3cpw s TYR 104 CO 0.07 0.13 0.44 -0.51 -1.11 0.00 0.00 175.55 174.56 3cpw s LEU 105 N -2.61 4.09 0.00 -1.29 1.43 -1.26 -1.26 118.68 117.78 3cpw s LEU 105 Ca 0.10 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 3cpw s LEU 105 Cb -0.03 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.64 3cpw s LEU 105 CO 0.02 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.04 3cpw n GLY 106 N 4.28 -0.44 2.57 -3.19 0.00 -1.26 -4.68 105.19 102.48 3cpw n GLY 106 Ca -0.07 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 3cpw n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3cpw s ASN 107 N -4.00 3.49 0.00 1.61 3.04 -1.26 0.18 114.94 118.00 3cpw s ASN 107 Ca 0.00 -1.27 0.23 0.00 0.04 0.00 0.00 52.86 51.87 3cpw s ASN 107 Cb 0.00 -0.41 1.22 0.00 -1.54 0.00 0.00 41.25 40.52 3cpw s ASN 107 CO 0.00 -0.43 1.76 -0.81 -3.04 0.00 0.00 177.10 174.59 3cpw n PRO 108 N 5.20 0.42 -2.63 0.43 -0.04 -1.26 -4.82 135.00 132.30 3cpw n PRO 108 Ca -0.06 0.05 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 3cpw n PRO 108 Cb 0.43 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.43 3cpw n PRO 108 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3cpw s TYR 109 N -2.44 2.75 -0.18 0.54 1.51 -1.26 -5.04 117.35 113.23 3cpw s TYR 109 Ca 0.25 -0.03 -0.18 0.00 -1.01 0.00 0.00 57.07 56.09 3cpw s TYR 109 Cb 0.16 -2.77 -0.21 0.00 -0.11 0.00 0.00 41.96 39.02 3cpw s TYR 109 CO 0.33 -0.95 0.29 -0.44 -1.11 0.00 0.00 175.55 173.67 3cpw h ASP 110 N 0.02 0.11 -3.09 2.29 3.32 -2.06 -3.47 116.42 113.54 3cpw h ASP 110 Ca -0.41 -0.64 -0.43 0.00 0.02 0.00 0.00 57.03 55.57 3cpw h ASP 110 Cb 1.29 -0.04 0.22 0.00 0.22 0.00 0.00 39.33 41.03 3cpw h ASP 110 CO 0.51 1.56 -0.05 -0.62 -1.72 0.00 0.00 179.24 178.93 3cpw n GLU 111 N -4.21 -2.75 -4.49 3.56 1.02 -1.26 -5.00 120.64 107.51 3cpw n GLU 111 Ca -0.31 -0.78 -0.33 0.00 -0.02 0.00 0.00 57.16 55.72 3cpw n GLU 111 Cb 0.77 -2.14 -0.14 0.00 -0.02 0.00 0.00 31.44 29.90 3cpw n GLU 111 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3cpw s ASP 112 N -2.38 4.09 0.93 1.62 1.11 -1.26 -5.04 116.67 115.74 3cpw s ASP 112 Ca 0.69 -0.35 -0.12 0.00 0.18 0.00 0.00 52.55 52.95 3cpw s ASP 112 Cb -0.26 -1.65 0.06 0.00 1.07 0.00 0.00 42.92 42.14 3cpw s ASP 112 CO 0.66 0.11 0.59 0.61 1.18 0.00 0.00 175.17 178.32 3cpw n GLY 113 N 3.91 -1.59 3.95 0.21 0.00 -1.26 -4.99 105.19 105.43 3cpw n GLY 113 Ca -0.18 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 3cpw n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3cpw s GLU 114 N -3.84 2.82 -0.29 1.61 -1.05 0.50 -4.47 118.70 113.99 3cpw s GLU 114 Ca 0.60 -0.52 -0.05 0.00 -0.15 0.00 0.00 54.97 54.85 3cpw s GLU 114 Cb -0.22 -2.48 0.02 0.00 -0.44 0.00 0.00 34.13 31.01 3cpw s GLU 114 CO 0.65 -0.52 0.03 0.08 0.95 0.00 0.00 175.26 176.45 3cpw s VAL 115 N -2.71 3.50 0.39 1.83 1.01 -1.26 -0.52 120.40 122.64 3cpw s VAL 115 Ca 0.53 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 3cpw s VAL 115 Cb -0.10 -2.85 -0.09 0.00 0.00 0.00 0.00 36.38 33.34 3cpw s VAL 115 CO 0.39 0.05 1.31 -0.76 0.00 0.00 0.00 175.10 176.09 3cpw s LEU 116 N 1.40 4.26 0.29 3.92 1.43 -1.26 -4.95 118.68 123.77 3cpw s LEU 116 Ca 0.00 2.68 -0.30 0.00 -1.03 0.00 0.00 54.13 55.49 3cpw s LEU 116 Cb -0.18 -3.84 -0.11 0.00 0.03 0.00 0.00 46.19 42.10 3cpw s LEU 116 CO 0.00 -0.79 1.46 -1.81 0.23 0.00 0.00 176.35 175.45 3cpw s ASP 117 N -0.66 6.56 0.00 2.29 1.01 -1.26 -2.86 116.67 121.75 3cpw s ASP 117 Ca 0.55 2.80 0.00 0.00 0.71 0.00 0.00 52.55 56.61 3cpw s ASP 117 Cb -0.39 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 40.91 3cpw s ASP 117 CO 0.50 -0.75 0.00 0.61 0.21 0.00 0.00 175.17 175.74 3cpw n GLY 118 N 1.73 1.71 0.86 0.21 0.00 -1.26 -4.87 105.19 103.58 3cpw n GLY 118 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3cpw n GLY 118 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cpw n THR 119 N -2.00 0.00 -3.15 2.61 -2.24 -1.13 -4.95 114.28 103.41 3cpw n THR 119 Ca 0.00 -0.45 -0.36 0.00 -2.27 0.00 0.00 64.05 60.97 3cpw n THR 119 Cb 0.00 1.41 -0.06 0.00 -2.10 0.00 0.00 70.33 69.58 3cpw n THR 119 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3cpw s SER 120 N -2.08 7.02 -0.14 3.42 0.15 -1.26 -0.74 113.70 120.08 3cpw s SER 120 Ca 0.27 1.35 -0.00 0.00 0.70 0.00 0.00 55.95 58.27 3cpw s SER 120 Cb 0.20 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 62.10 3cpw s SER 120 CO 0.35 0.06 -0.13 -0.22 1.20 0.00 0.00 173.24 174.50 3cpw s LEU 121 N -1.91 2.70 -0.71 3.45 2.96 -0.25 -4.85 118.68 120.07 3cpw s LEU 121 Ca 0.41 -0.34 -0.23 0.00 -0.22 0.00 0.00 54.13 53.75 3cpw s LEU 121 Cb -0.17 -1.61 0.07 0.00 0.50 0.00 0.00 46.19 44.98 3cpw s LEU 121 CO 0.21 0.15 1.05 -0.62 -1.32 0.00 0.00 176.35 175.81 3cpw s ASP 122 N 0.45 6.22 0.52 3.68 -1.08 -1.26 -4.88 116.67 120.31 3cpw s ASP 122 Ca -0.10 -1.00 0.30 0.00 -0.52 0.00 0.00 52.55 51.23 3cpw s ASP 122 Cb -0.16 -2.45 1.43 0.00 -1.46 0.00 0.00 42.92 40.28 3cpw s ASP 122 CO 0.05 -1.48 1.88 0.03 0.52 0.00 0.00 175.17 176.16 3cpw h ARG 123 N 9.60 0.06 0.00 4.34 3.08 -1.95 0.93 114.38 130.44 3cpw h ARG 123 Ca -0.23 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 3cpw h ARG 123 Cb 1.06 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 3cpw h ARG 123 CO 1.20 0.04 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.98 3cpw h LEU 124 N 0.06 0.00 -2.43 3.04 3.38 -2.06 -2.98 115.31 114.33 3cpw h LEU 124 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3cpw h LEU 124 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 3cpw h LEU 124 CO -0.04 0.09 0.00 -1.20 0.09 0.00 0.00 178.44 177.39 3cpw n SER 125 N -3.26 2.44 -3.88 -0.43 7.64 0.27 -4.99 113.62 111.42 3cpw n SER 125 Ca 0.00 -1.81 -0.17 0.00 1.01 0.00 0.00 58.87 57.90 3cpw n SER 125 Cb 0.34 -0.13 -0.16 0.00 -1.01 0.00 0.00 64.21 63.25 3cpw n SER 125 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3cpw s ASN 126 N -0.92 0.59 0.00 6.43 0.01 -0.91 -5.01 114.94 115.13 3cpw s ASN 126 Ca 0.16 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.24 3cpw s ASN 126 Cb 0.09 -0.24 0.00 0.00 0.41 0.00 0.00 41.25 41.51 3cpw s ASN 126 CO 0.12 -0.04 0.00 -0.38 -1.51 0.00 0.00 177.10 175.29 3cpw n ILE 127 N 3.74 0.00 -3.02 0.60 5.41 -1.26 -4.72 119.36 120.11 3cpw n ILE 127 Ca -0.22 0.00 -0.44 0.00 1.00 0.00 0.00 62.75 63.08 3cpw n ILE 127 Cb 0.53 -0.83 -0.02 0.00 -0.71 0.00 0.00 39.64 38.61 3cpw n ILE 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3cpw s LYS 128 N -1.97 3.75 0.16 0.38 1.02 -1.26 -4.92 119.74 116.90 3cpw s LYS 128 Ca 0.00 -2.15 -0.24 0.00 0.02 0.00 0.00 55.97 53.59 3cpw s LYS 128 Cb 0.00 -4.85 0.06 0.00 -0.52 0.00 0.00 37.83 32.52 3cpw s LYS 128 CO 0.00 -1.66 0.84 -0.59 -0.92 0.00 0.00 175.35 173.02 3cpw s PHE 129 N 1.79 -0.22 0.05 3.18 -0.12 -1.15 -1.63 117.98 119.88 3cpw s PHE 129 Ca 0.33 -0.09 -0.01 0.00 -0.05 0.00 0.00 56.93 57.11 3cpw s PHE 129 Cb -0.05 0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 3cpw s PHE 129 CO -0.07 -0.90 -0.02 0.08 -0.05 0.00 0.00 175.22 174.25 3cpw s VAL 130 N -3.49 0.21 0.04 -2.49 1.01 -0.36 -4.80 120.40 110.52 3cpw s VAL 130 Ca 0.10 -1.76 -0.08 0.00 0.00 0.00 0.00 61.98 60.23 3cpw s VAL 130 Cb -0.03 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3cpw s VAL 130 CO 0.00 -0.97 0.33 -0.89 0.00 0.00 0.00 175.10 173.57 3cpw s THR 131 N -3.82 5.20 0.25 3.92 2.01 -1.26 -1.50 115.64 120.44 3cpw s THR 131 Ca 0.06 0.31 -0.05 0.00 0.31 0.00 0.00 61.69 62.32 3cpw s THR 131 Cb 0.07 -3.61 0.24 0.00 0.01 0.00 0.00 72.50 69.22 3cpw s THR 131 CO -0.10 0.34 1.89 -0.07 -0.69 0.00 0.00 174.62 175.99 3cpw h LEU 132 N 3.90 1.02 -0.87 4.42 3.38 -1.40 -1.50 115.31 124.26 3cpw h LEU 132 Ca -0.50 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.50 3cpw h LEU 132 Cb 1.20 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 3cpw h LEU 132 CO 0.66 0.69 0.56 1.23 0.09 0.00 0.00 178.44 181.67 3cpw h GLY 133 N 1.18 1.25 0.96 0.83 0.00 -1.44 -0.64 103.07 105.22 3cpw h GLY 133 Ca 0.38 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3cpw h GLY 133 CO -0.13 0.37 0.22 0.83 0.00 0.00 0.00 176.54 177.83 3cpw h GLU 134 N 1.09 0.64 -0.07 4.80 5.08 -1.57 -1.37 114.58 123.18 3cpw h GLU 134 Ca 0.34 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 3cpw h GLU 134 Cb -0.01 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3cpw h GLU 134 CO -0.11 0.54 -0.02 0.82 -1.00 0.00 0.00 179.01 179.24 3cpw h ILE 135 N 0.58 0.92 -0.79 3.13 2.04 -0.68 -1.77 117.51 120.94 3cpw h ILE 135 Ca 0.15 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.10 3cpw h ILE 135 Cb 0.11 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 3cpw h ILE 135 CO -0.02 0.00 0.44 0.28 0.00 0.00 0.00 178.15 178.85 3cpw h SER 136 N -0.01 0.64 -0.78 1.72 0.02 -0.89 0.14 113.55 114.40 3cpw h SER 136 Ca 0.04 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3cpw h SER 136 Cb 0.06 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 3cpw h SER 136 CO -0.08 0.38 0.34 -0.33 -1.14 0.00 0.00 176.83 176.00 3cpw h GLU 137 N 0.76 1.15 -0.27 3.45 5.08 -0.95 0.21 114.58 124.02 3cpw h GLU 137 Ca 0.37 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3cpw h GLU 137 Cb 0.32 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3cpw h GLU 137 CO -0.23 0.91 -0.05 1.15 -1.00 0.00 0.00 179.01 179.79 3cpw h THR 138 N 1.13 1.28 0.00 1.13 2.02 -0.31 -2.66 112.91 115.50 3cpw h THR 138 Ca 0.27 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3cpw h THR 138 Cb 0.17 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3cpw h THR 138 CO -0.03 0.33 0.00 0.18 0.37 0.00 0.00 175.52 176.37 3cpw n LEU 139 N -4.55 0.53 0.00 2.58 4.77 0.38 -4.82 117.00 115.90 3cpw n LEU 139 Ca -0.03 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 3cpw n LEU 139 Cb 0.29 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 3cpw n LEU 139 CO 0.39 -0.91 0.00 0.61 -1.33 0.00 0.00 177.39 176.15 3cpw n GLY 140 N -1.25 0.64 3.41 -0.72 0.00 -0.78 -5.07 105.19 101.41 3cpw n GLY 140 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3cpw n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cpw n ALA 141 N -1.21 -2.52 -2.60 4.61 0.00 -0.01 -4.92 120.51 113.87 3cpw n ALA 141 Ca 0.00 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.46 3cpw n ALA 141 Cb 0.00 -1.78 -0.06 0.00 0.00 0.00 0.00 19.45 17.60 3cpw n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3cpw s ASN 142 N -1.87 6.29 -0.88 0.00 3.84 -1.26 -4.66 114.94 116.39 3cpw s ASN 142 Ca 0.58 -0.52 -0.26 0.00 0.21 0.00 0.00 52.86 52.86 3cpw s ASN 142 Cb -0.23 -2.32 -0.17 0.00 -0.55 0.00 0.00 41.25 37.98 3cpw s ASN 142 CO 0.66 -0.84 2.32 -0.75 -2.79 0.00 0.00 177.10 175.70 3cpw s LYS 143 N 2.83 1.45 -0.12 0.43 2.20 -1.26 -4.65 119.74 120.63 3cpw s LYS 143 Ca 0.21 0.21 0.13 0.00 -0.36 0.00 0.00 55.97 56.15 3cpw s LYS 143 Cb -0.16 -4.84 0.59 0.00 -1.51 0.00 0.00 37.83 31.91 3cpw s LYS 143 CO 0.17 -4.80 1.45 -2.37 -0.36 0.00 0.00 175.35 169.44 3cpw n THR 144 N 8.88 1.63 -0.43 3.43 5.66 -1.26 -5.22 114.28 126.98 3cpw n THR 144 Ca 0.45 -0.96 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 3cpw n THR 144 Cb 0.44 -0.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 3cpw n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35