#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw h SER 2 N 0.00 0.00 -4.31 2.55 4.64 -2.04 -3.46 113.55 110.92 3cpw h SER 2 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3cpw h SER 2 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 3cpw h SER 2 CO 0.00 0.68 -0.63 -0.94 -0.87 0.00 0.00 176.83 175.07 3cpw s SER 3 N -6.56 1.37 -0.19 4.97 1.04 -1.26 -5.09 113.70 107.98 3cpw s SER 3 Ca 0.02 -1.32 0.16 0.00 0.48 0.00 0.00 55.95 55.29 3cpw s SER 3 Cb 0.09 0.11 0.45 0.00 0.10 0.00 0.00 66.02 66.77 3cpw s SER 3 CO 0.77 -0.66 1.18 -3.20 0.98 0.00 0.00 173.24 172.31 3cpw n ASN 4 N -0.43 2.37 -4.80 7.02 5.15 -1.26 -4.95 115.26 118.35 3cpw n ASN 4 Ca -0.02 -3.04 -0.30 0.00 -0.60 0.00 0.00 54.58 50.62 3cpw n ASN 4 Cb 0.65 -0.42 0.10 0.00 -0.53 0.00 0.00 39.78 39.58 3cpw n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3cpw s GLY 5 N -3.17 1.62 0.57 8.20 0.00 -1.26 -4.95 107.32 108.33 3cpw s GLY 5 Ca 0.38 -0.25 0.26 0.00 0.00 0.00 0.00 44.72 45.11 3cpw s GLY 5 CO -0.06 0.19 2.13 -2.55 0.00 0.00 0.00 173.10 172.82 3cpw h PRO 6 N -1.15 0.00 -0.58 2.90 0.11 -2.05 -2.18 132.00 129.06 3cpw h PRO 6 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3cpw h PRO 6 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3cpw h PRO 6 CO 0.60 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.67 3cpw n LEU 7 N -4.05 5.00 -4.71 2.35 4.77 -1.26 -4.61 117.00 114.49 3cpw n LEU 7 Ca 0.01 -2.67 -0.42 0.00 -0.03 0.00 0.00 56.01 52.90 3cpw n LEU 7 Cb 0.26 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 3cpw n LEU 7 CO 0.30 0.73 1.22 -0.70 -1.33 0.00 0.00 177.39 177.62 3cpw s GLU 8 N -2.26 4.23 -1.45 3.23 -6.30 -0.82 -2.72 118.70 112.62 3cpw s GLU 8 Ca 0.51 2.28 -0.04 0.00 -2.50 0.00 0.00 54.97 55.22 3cpw s GLU 8 Cb 0.36 -3.33 0.00 0.00 0.00 0.00 0.00 34.13 31.16 3cpw s GLU 8 CO 0.20 -0.62 0.54 0.41 0.02 0.00 0.00 175.26 175.81 3cpw n GLY 9 N 3.78 -0.42 0.70 -1.50 0.00 -1.26 -4.89 105.19 101.59 3cpw n GLY 9 Ca 0.14 0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.27 3cpw n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cpw n THR 10 N -4.41 1.41 -0.21 2.61 -2.24 -1.10 -4.71 114.28 105.64 3cpw n THR 10 Ca -0.11 -1.28 -0.01 0.00 -2.27 0.00 0.00 64.05 60.37 3cpw n THR 10 Cb 0.61 0.26 0.05 0.00 -2.10 0.00 0.00 70.33 69.16 3cpw n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3cpw h ARG 11 N 1.90 -0.02 0.26 -0.78 2.43 -1.90 -1.66 114.38 114.60 3cpw h ARG 11 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3cpw h ARG 11 Cb 0.95 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3cpw h ARG 11 CO 0.07 -0.02 -0.12 0.78 -1.51 0.00 0.00 179.97 179.17 3cpw h GLY 12 N -0.02 -0.36 1.49 2.80 0.00 -1.95 -3.27 103.07 101.75 3cpw h GLY 12 Ca 0.29 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3cpw h GLY 12 CO -0.64 -0.13 0.25 0.07 0.00 0.00 0.00 176.54 176.09 3cpw h LYS 13 N -0.77 0.00 -0.34 4.80 2.10 -1.88 -1.08 116.57 119.39 3cpw h LYS 13 Ca -0.04 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.48 3cpw h LYS 13 Cb 0.26 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.51 3cpw h LYS 13 CO 0.06 0.00 -0.02 1.28 -2.00 0.00 0.00 179.45 178.76 3cpw n LEU 14 N -2.84 4.12 -4.28 7.07 4.77 -0.63 -4.88 117.00 120.34 3cpw n LEU 14 Ca -0.02 -3.53 -0.26 0.00 -0.03 0.00 0.00 56.01 52.17 3cpw n LEU 14 Cb 0.30 -0.61 -0.14 0.00 -2.33 0.00 0.00 43.42 40.64 3cpw n LEU 14 CO 0.14 1.06 -0.53 -0.75 -1.33 0.00 0.00 177.39 175.98 3cpw s LYS 15 N -3.12 1.45 0.04 3.23 2.20 -0.41 -4.76 119.74 118.37 3cpw s LYS 15 Ca 0.44 -1.00 -0.07 0.00 -0.36 0.00 0.00 55.97 54.98 3cpw s LYS 15 Cb 0.39 -1.60 -0.05 0.00 -1.51 0.00 0.00 37.83 35.06 3cpw s LYS 15 CO 0.03 0.41 0.30 -0.80 -0.36 0.00 0.00 175.35 174.92 3cpw s ASN 16 N -1.26 6.51 0.20 1.43 0.02 -1.26 -4.93 114.94 115.65 3cpw s ASN 16 Ca 0.08 0.59 -0.30 0.00 -1.02 0.00 0.00 52.86 52.21 3cpw s ASN 16 Cb -0.09 -2.10 -0.09 0.00 0.02 0.00 0.00 41.25 38.99 3cpw s ASN 16 CO 0.02 0.21 1.30 -0.54 0.02 0.00 0.00 177.10 178.11 3cpw s LYS 17 N -1.91 4.40 0.18 -0.60 3.01 -1.26 -4.84 119.74 118.72 3cpw s LYS 17 Ca 0.30 2.04 0.11 0.00 -1.01 0.00 0.00 55.97 57.41 3cpw s LYS 17 Cb -0.13 -3.19 0.66 0.00 -1.01 0.00 0.00 37.83 34.15 3cpw s LYS 17 CO 0.18 -0.23 0.75 -2.30 0.51 0.00 0.00 175.35 174.26 3cpw n PRO 18 N 2.55 -0.03 0.15 -1.68 -0.02 -1.26 0.87 135.00 135.58 3cpw n PRO 18 Ca 0.06 0.65 0.12 0.00 -2.02 0.00 0.00 63.50 62.31 3cpw n PRO 18 Cb 0.43 -1.19 0.21 0.00 -0.02 0.00 0.00 33.50 32.93 3cpw n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cpw h ARG 19 N 0.00 0.00 -0.65 -0.52 3.08 -2.05 -3.16 114.38 111.08 3cpw h ARG 19 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 3cpw h ARG 19 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3cpw h ARG 19 CO -0.34 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.31 3cpw n ASP 20 N -2.66 3.79 -4.76 7.04 8.00 0.25 -4.95 116.55 123.26 3cpw n ASP 20 Ca 0.04 -2.14 -0.32 0.00 0.71 0.00 0.00 54.79 53.07 3cpw n ASP 20 Cb 0.49 -0.48 0.07 0.00 -0.02 0.00 0.00 41.12 41.19 3cpw n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3cpw s ARG 21 N -1.38 2.47 0.00 -1.24 3.00 -1.15 -4.84 118.95 115.82 3cpw s ARG 21 Ca 0.44 1.34 0.00 0.00 -1.00 0.00 0.00 55.73 56.52 3cpw s ARG 21 Cb 0.25 -1.91 0.00 0.00 0.00 0.00 0.00 34.95 33.29 3cpw s ARG 21 CO 0.27 -1.50 0.00 0.41 0.00 0.00 0.00 175.30 174.48 3cpw n GLY 22 N -0.67 -0.76 3.43 8.12 0.00 -1.26 -4.95 105.19 109.09 3cpw n GLY 22 Ca 0.10 -1.63 -0.50 0.00 0.00 0.00 0.00 46.02 43.99 3cpw n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cpw n THR 23 N -0.53 1.59 -2.99 2.61 -1.04 -1.26 -4.86 114.28 107.79 3cpw n THR 23 Ca 0.00 -0.40 -0.28 0.00 -2.04 0.00 0.00 64.05 61.33 3cpw n THR 23 Cb 0.00 -0.04 -0.02 0.00 -1.82 0.00 0.00 70.33 68.45 3cpw n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3cpw s SER 24 N -0.77 6.38 0.24 8.00 0.01 -1.26 -5.04 113.70 121.27 3cpw s SER 24 Ca 0.69 0.86 -0.31 0.00 1.31 0.00 0.00 55.95 58.50 3cpw s SER 24 Cb -0.99 -2.21 -0.12 0.00 0.21 0.00 0.00 66.02 62.91 3cpw s SER 24 CO 0.56 -0.39 1.68 -2.65 0.41 0.00 0.00 173.24 172.85 3cpw n PRO 25 N -1.58 2.77 0.27 12.44 -0.02 -1.26 -4.91 135.00 142.70 3cpw n PRO 25 Ca -0.00 0.99 0.13 0.00 -2.02 0.00 0.00 63.50 62.60 3cpw n PRO 25 Cb 0.55 -2.82 0.74 0.00 -0.02 0.00 0.00 33.50 31.95 3cpw n PRO 25 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3cpw h PRO 26 N 6.00 0.00 -0.34 0.52 0.11 -2.00 -3.27 132.00 133.02 3cpw h PRO 26 Ca -0.45 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.72 3cpw h PRO 26 Cb 1.21 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 3cpw h PRO 26 CO 0.89 0.11 -0.51 0.37 -0.21 0.00 0.00 178.00 178.66 3cpw h GLN 27 N 0.00 -0.40 0.00 1.05 5.75 -2.00 -1.20 115.11 118.32 3cpw h GLN 27 Ca -0.00 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3cpw h GLN 27 Cb 0.33 0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.97 3cpw h GLN 27 CO 0.01 -0.27 0.00 2.89 -2.65 0.00 0.00 178.83 178.82 3cpw n ARG 28 N -5.40 0.37 0.00 1.69 1.85 -1.23 -2.08 116.66 111.86 3cpw n ARG 28 Ca -0.03 0.07 0.12 0.00 -1.00 0.00 0.00 57.85 57.01 3cpw n ARG 28 Cb 0.35 -1.50 0.22 0.00 -1.05 0.00 0.00 32.46 30.48 3cpw n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3cpw n ALA 29 N -1.23 3.28 -0.00 2.89 0.00 -0.47 -3.06 120.51 121.93 3cpw n ALA 29 Ca 0.11 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3cpw n ALA 29 Cb 0.14 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3cpw n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cpw n VAL 30 N -0.38 0.00 -1.50 0.00 0.31 -0.88 -4.32 118.33 111.56 3cpw n VAL 30 Ca 0.11 -0.50 -0.44 0.00 -0.01 0.00 0.00 64.34 63.50 3cpw n VAL 30 Cb 0.40 1.00 -0.01 0.00 -0.91 0.00 0.00 33.84 34.32 3cpw n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3cpw n GLU 31 N -0.81 0.79 -4.45 5.55 4.07 -1.01 -4.97 120.64 119.81 3cpw n GLU 31 Ca 0.00 0.28 -0.34 0.00 -0.06 0.00 0.00 57.16 57.04 3cpw n GLU 31 Cb 0.00 -1.57 -0.11 0.00 -0.06 0.00 0.00 31.44 29.70 3cpw n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3cpw s GLU 32 N -1.50 3.28 0.14 5.31 0.41 -1.26 -4.82 118.70 120.26 3cpw s GLU 32 Ca 0.62 -0.50 0.11 0.00 -0.41 0.00 0.00 54.97 54.78 3cpw s GLU 32 Cb -0.69 -2.80 -0.04 0.00 -1.78 0.00 0.00 34.13 28.81 3cpw s GLU 32 CO 0.58 0.46 -0.24 -0.06 -0.49 0.00 0.00 175.26 175.52 3cpw s PHE 33 N -0.23 2.37 0.08 1.61 0.40 -1.26 -5.14 117.98 115.81 3cpw s PHE 33 Ca 0.04 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 3cpw s PHE 33 Cb -0.13 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 3cpw s PHE 33 CO 0.02 0.39 0.10 -0.51 0.70 0.00 0.00 175.22 175.93 3cpw s ASP 34 N -2.24 5.68 0.24 1.36 1.01 -1.26 -5.03 116.67 116.43 3cpw s ASP 34 Ca 0.17 0.04 -0.30 0.00 0.71 0.00 0.00 52.55 53.16 3cpw s ASP 34 Cb -0.10 -1.57 -0.14 0.00 1.01 0.00 0.00 42.92 42.12 3cpw s ASP 34 CO 0.08 0.17 1.21 0.47 0.21 0.00 0.00 175.17 177.31 3cpw n ASP 35 N 0.42 1.93 0.00 0.27 9.92 -1.26 -0.58 116.55 127.24 3cpw n ASP 35 Ca -0.08 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.34 3cpw n ASP 35 Cb 0.51 -1.33 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 3cpw n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cpw n GLY 36 N 1.70 3.26 3.77 0.44 0.00 0.28 -4.96 105.19 109.69 3cpw n GLY 36 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3cpw n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cpw s GLU 37 N -0.58 4.18 -0.20 1.61 2.02 0.25 -4.63 118.70 121.35 3cpw s GLU 37 Ca 0.00 2.25 -0.20 0.00 0.02 0.00 0.00 54.97 57.04 3cpw s GLU 37 Cb 0.00 -2.94 -0.03 0.00 0.10 0.00 0.00 34.13 31.26 3cpw s GLU 37 CO 0.00 -0.35 0.58 0.15 0.02 0.00 0.00 175.26 175.66 3cpw s LYS 38 N -2.00 4.20 0.02 1.61 -0.14 -1.26 -0.63 119.74 121.54 3cpw s LYS 38 Ca 0.52 0.53 0.05 0.00 -1.36 0.00 0.00 55.97 55.72 3cpw s LYS 38 Cb -0.40 -3.57 -0.02 0.00 -1.68 0.00 0.00 37.83 32.16 3cpw s LYS 38 CO 0.53 -0.20 -0.15 0.14 -0.76 0.00 0.00 175.35 174.91 3cpw s VAL 39 N 1.78 1.21 0.02 3.17 -7.23 -0.97 -1.09 120.40 117.30 3cpw s VAL 39 Ca 0.27 -0.89 -0.18 0.00 -1.81 0.00 0.00 61.98 59.37 3cpw s VAL 39 Cb -0.16 -1.06 -0.06 0.00 0.56 0.00 0.00 36.38 35.67 3cpw s VAL 39 CO 0.10 0.16 0.52 -1.00 -0.31 0.00 0.00 175.10 174.57 3cpw s HIS 40 N -0.65 3.74 -0.23 2.82 3.76 0.56 -0.88 115.29 124.41 3cpw s HIS 40 Ca 0.04 1.15 -0.11 0.00 -0.15 0.00 0.00 55.06 55.99 3cpw s HIS 40 Cb -0.07 -2.46 -0.05 0.00 1.11 0.00 0.00 32.58 31.10 3cpw s HIS 40 CO 0.01 0.52 0.18 -0.51 -0.85 0.00 0.00 174.74 174.09 3cpw s LEU 41 N -0.78 4.13 -0.28 0.89 1.02 0.10 -2.39 118.68 121.37 3cpw s LEU 41 Ca 0.28 0.15 -0.10 0.00 0.02 0.00 0.00 54.13 54.48 3cpw s LEU 41 Cb -0.18 -2.14 0.12 0.00 0.02 0.00 0.00 46.19 44.01 3cpw s LEU 41 CO 0.16 0.06 0.61 -0.75 0.02 0.00 0.00 176.35 176.45 3cpw s LYS 42 N 1.03 0.54 0.28 1.70 2.47 -0.79 -0.53 119.74 124.45 3cpw s LYS 42 Ca 0.09 1.37 -0.29 0.00 -1.56 0.00 0.00 55.97 55.57 3cpw s LYS 42 Cb -0.13 0.74 -0.10 0.00 -1.46 0.00 0.00 37.83 36.88 3cpw s LYS 42 CO 0.04 -0.21 1.19 0.42 0.16 0.00 0.00 175.35 176.95 3cpw s ILE 43 N 2.77 3.23 -0.43 5.43 1.01 -1.26 -4.37 121.20 127.58 3cpw s ILE 43 Ca -0.06 1.20 -0.19 0.00 0.00 0.00 0.00 60.65 61.61 3cpw s ILE 43 Cb -0.12 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.61 3cpw s ILE 43 CO -0.18 0.27 0.53 -0.62 0.00 0.00 0.00 174.94 174.94 3cpw s ASP 44 N -0.58 6.25 0.34 3.58 -1.08 -1.26 -4.94 116.67 118.97 3cpw s ASP 44 Ca 0.47 -0.54 0.15 0.00 -0.52 0.00 0.00 52.55 52.11 3cpw s ASP 44 Cb -0.35 -2.27 1.10 0.00 -1.46 0.00 0.00 42.92 39.95 3cpw s ASP 44 CO 0.44 -0.67 1.65 -0.65 0.52 0.00 0.00 175.17 176.46 3cpw h PRO 45 N 8.80 0.26 0.00 4.34 0.11 -1.90 0.28 132.00 143.89 3cpw h PRO 45 Ca -0.26 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.78 3cpw h PRO 45 Cb 1.10 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3cpw h PRO 45 CO 0.84 0.17 -0.28 0.77 -0.21 0.00 0.00 178.00 179.29 3cpw h SER 46 N 0.27 0.00 -3.57 -2.05 0.02 -1.92 -3.42 113.55 102.88 3cpw h SER 46 Ca 0.74 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 61.02 3cpw h SER 46 Cb 1.72 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 64.09 3cpw h SER 46 CO -0.64 0.28 -0.05 -0.69 -1.14 0.00 0.00 176.83 174.59 3cpw s VAL 47 N -3.77 4.97 0.05 2.27 1.01 0.97 -4.85 120.40 121.04 3cpw s VAL 47 Ca -0.01 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.65 3cpw s VAL 47 Cb 0.11 -4.10 -0.17 0.00 0.00 0.00 0.00 36.38 32.23 3cpw s VAL 47 CO 0.65 -0.47 1.55 -0.65 0.00 0.00 0.00 175.10 176.19 3cpw h PRO 48 N 8.76 -0.18 -7.26 2.72 0.11 -1.81 -3.43 132.00 130.90 3cpw h PRO 48 Ca -0.26 0.01 -0.45 0.00 0.11 0.00 0.00 66.00 65.41 3cpw h PRO 48 Cb 1.11 0.04 0.08 0.00 0.11 0.00 0.00 31.00 32.34 3cpw h PRO 48 CO 0.83 0.00 0.20 -0.80 -0.21 0.00 0.00 178.00 178.02 3cpw s ASN 49 N -5.16 4.71 -1.22 -2.05 0.01 -1.26 -4.48 114.94 105.49 3cpw s ASN 49 Ca -0.14 0.31 0.00 0.00 -0.71 0.00 0.00 52.86 52.32 3cpw s ASN 49 Cb 0.04 -0.92 0.00 0.00 0.41 0.00 0.00 41.25 40.78 3cpw s ASN 49 CO 0.64 -1.64 0.00 0.61 -1.51 0.00 0.00 177.10 175.19 3cpw n GLY 50 N -2.90 1.14 3.83 0.66 0.00 -1.26 -4.90 105.19 101.76 3cpw n GLY 50 Ca 0.09 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3cpw n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cpw s ARG 51 N -2.89 3.01 0.50 1.61 0.52 -1.26 -2.52 118.95 117.92 3cpw s ARG 51 Ca 0.00 0.84 0.03 0.00 -0.52 0.00 0.00 55.73 56.08 3cpw s ARG 51 Cb 0.00 -2.01 0.03 0.00 0.52 0.00 0.00 34.95 33.49 3cpw s ARG 51 CO 0.00 -1.01 0.26 1.97 0.02 0.00 0.00 175.30 176.54 3cpw n PHE 52 N -3.06 -0.08 -2.24 -0.53 1.16 -1.26 -4.87 117.46 106.57 3cpw n PHE 52 Ca 0.07 -2.24 -0.42 0.00 -1.87 0.00 0.00 57.45 52.99 3cpw n PHE 52 Cb 0.54 -0.39 -0.03 0.00 -1.61 0.00 0.00 39.48 38.00 3cpw n PHE 52 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 3cpw s HIS 53 N -2.61 2.71 0.50 2.97 5.65 -1.26 -4.87 115.29 118.39 3cpw s HIS 53 Ca 0.20 0.77 0.42 0.00 0.25 0.00 0.00 55.06 56.70 3cpw s HIS 53 Cb -0.02 -3.66 1.63 0.00 -1.18 0.00 0.00 32.58 29.35 3cpw s HIS 53 CO 0.13 -2.47 1.56 -2.30 -0.65 0.00 0.00 174.74 171.01 3cpw n PRO 54 N 5.94 -0.02 0.09 2.88 -0.02 -1.26 -0.22 135.00 142.39 3cpw n PRO 54 Ca 0.14 1.17 0.20 0.00 -2.02 0.00 0.00 63.50 62.99 3cpw n PRO 54 Cb 0.44 -2.50 0.74 0.00 -0.02 0.00 0.00 33.50 32.16 3cpw n PRO 54 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3cpw h ARG 55 N 0.00 0.00 -0.02 -0.52 2.43 -1.89 -0.43 114.38 113.96 3cpw h ARG 55 Ca 0.92 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 60.09 3cpw h ARG 55 Cb 3.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 32.90 3cpw h ARG 55 CO -0.23 0.00 -0.02 1.19 -1.51 0.00 0.00 179.97 179.40 3cpw n PHE 56 N -3.67 0.00 -1.65 2.20 3.72 0.70 -4.94 117.46 113.82 3cpw n PHE 56 Ca 0.07 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.03 3cpw n PHE 56 Cb 0.64 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 39.15 3cpw n PHE 56 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3cpw n ASP 57 N 0.30 2.32 0.00 4.37 9.92 -0.17 -1.69 116.55 131.60 3cpw n ASP 57 Ca 0.18 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.60 3cpw n ASP 57 Cb 0.39 -1.39 0.00 0.00 -0.64 0.00 0.00 41.12 39.48 3cpw n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cpw n GLY 58 N 1.64 0.87 3.83 0.44 0.00 0.31 -5.02 105.19 107.26 3cpw n GLY 58 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3cpw n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cpw s GLN 59 N -0.67 3.35 -0.28 1.61 -1.52 -0.68 -4.80 119.66 116.66 3cpw s GLN 59 Ca 0.00 0.97 0.00 0.00 -1.95 0.00 0.00 55.36 54.38 3cpw s GLN 59 Cb 0.00 -2.04 0.09 0.00 -0.22 0.00 0.00 33.01 30.83 3cpw s GLN 59 CO 0.00 -0.77 0.04 0.99 -0.25 0.00 0.00 175.29 175.30 3cpw s THR 60 N -2.87 1.24 0.00 -0.19 2.01 -1.26 0.00 115.64 114.57 3cpw s THR 60 Ca 0.59 -1.42 0.00 0.00 0.31 0.00 0.00 61.69 61.17 3cpw s THR 60 Cb -0.13 -1.80 0.00 0.00 0.01 0.00 0.00 72.50 70.58 3cpw s THR 60 CO 0.46 -0.47 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 3cpw n GLY 61 N 4.72 2.15 2.89 4.40 0.00 -0.05 -4.87 105.19 114.43 3cpw n GLY 61 Ca -0.04 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 43.67 3cpw n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cpw s THR 62 N 1.59 0.78 0.25 2.61 2.01 -0.79 -2.30 115.64 119.78 3cpw s THR 62 Ca 0.00 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 3cpw s THR 62 Cb 0.00 -0.81 -0.10 0.00 0.01 0.00 0.00 72.50 71.60 3cpw s THR 62 CO 0.00 0.31 1.37 -0.69 -0.69 0.00 0.00 174.62 174.92 3cpw s VAL 63 N 1.39 2.85 -0.39 3.82 1.01 0.20 -1.12 120.40 128.16 3cpw s VAL 63 Ca -0.02 0.73 0.10 0.00 0.00 0.00 0.00 61.98 62.79 3cpw s VAL 63 Cb -0.13 -3.47 0.34 0.00 0.00 0.00 0.00 36.38 33.12 3cpw s VAL 63 CO -0.03 0.13 0.83 -0.62 0.00 0.00 0.00 175.10 175.40 3cpw n GLU 64 N 2.11 0.98 0.00 2.72 -0.58 -0.23 0.10 120.64 125.74 3cpw n GLU 64 Ca 0.05 -3.01 0.00 0.00 -0.42 0.00 0.00 57.16 53.78 3cpw n GLU 64 Cb 0.41 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 3cpw n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cpw n GLY 65 N 0.32 0.45 3.25 0.62 0.00 -1.26 -4.78 105.19 103.79 3cpw n GLY 65 Ca 0.20 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 3cpw n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cpw s LYS 66 N -1.35 1.06 -0.28 1.61 -2.85 -1.26 -1.14 119.74 115.53 3cpw s LYS 66 Ca 0.00 -1.32 0.01 0.00 -1.00 0.00 0.00 55.97 53.66 3cpw s LYS 66 Cb 0.00 0.31 0.08 0.00 -2.06 0.00 0.00 37.83 36.16 3cpw s LYS 66 CO 0.00 -0.35 0.02 -1.14 0.10 0.00 0.00 175.35 173.98 3cpw s GLN 67 N -4.01 1.23 5.90 1.78 0.74 -0.23 -4.87 119.66 120.19 3cpw s GLN 67 Ca 0.21 -1.16 0.00 0.00 0.05 0.00 0.00 55.36 54.47 3cpw s GLN 67 Cb 0.05 -2.49 0.00 0.00 1.10 0.00 0.00 33.01 31.67 3cpw s GLN 67 CO 0.02 -0.79 0.00 0.41 -0.55 0.00 0.00 175.29 174.37 3cpw n GLY 68 N 4.67 1.70 0.08 2.59 0.00 -1.26 -2.11 105.19 110.86 3cpw n GLY 68 Ca -0.05 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.53 3cpw n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cpw h ASP 69 N 4.84 0.00 -4.22 1.61 3.32 -2.00 -3.46 116.42 116.51 3cpw h ASP 69 Ca 0.00 -0.15 -0.49 0.00 0.02 0.00 0.00 57.03 56.40 3cpw h ASP 69 Cb 0.00 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.62 3cpw h ASP 69 CO 0.00 0.08 0.38 0.00 -1.72 0.00 0.00 179.24 177.97 3cpw s ALA 70 N -3.24 2.75 0.16 3.45 0.00 -0.90 -4.72 121.76 119.26 3cpw s ALA 70 Ca 0.04 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.36 3cpw s ALA 70 Cb 0.12 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 3cpw s ALA 70 CO 0.75 -0.85 0.20 0.71 0.00 0.00 0.00 175.76 176.57 3cpw s TYR 71 N -2.57 3.29 -0.38 0.00 1.51 0.16 -1.07 117.35 118.28 3cpw s TYR 71 Ca 0.62 0.04 -0.08 0.00 -1.01 0.00 0.00 57.07 56.64 3cpw s TYR 71 Cb -0.15 -1.58 0.06 0.00 -0.11 0.00 0.00 41.96 40.18 3cpw s TYR 71 CO 0.40 0.52 0.19 0.15 -1.11 0.00 0.00 175.55 175.69 3cpw s LYS 72 N -3.16 2.62 -0.15 -0.62 1.02 -0.29 -0.88 119.74 118.28 3cpw s LYS 72 Ca 0.32 -1.31 -0.04 0.00 0.02 0.00 0.00 55.97 54.97 3cpw s LYS 72 Cb -0.10 -3.64 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 3cpw s LYS 72 CO 0.25 -0.81 -0.01 0.08 -0.92 0.00 0.00 175.35 173.95 3cpw s VAL 73 N 1.42 4.17 -0.15 3.17 1.01 0.19 -1.07 120.40 129.14 3cpw s VAL 73 Ca 0.01 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 3cpw s VAL 73 Cb -0.21 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3cpw s VAL 73 CO 0.03 0.50 0.35 -1.81 0.00 0.00 0.00 175.10 174.17 3cpw s ASP 74 N 0.17 6.51 0.41 3.32 1.01 -0.27 0.14 116.67 127.96 3cpw s ASP 74 Ca 0.00 0.60 0.05 0.00 0.71 0.00 0.00 52.55 53.91 3cpw s ASP 74 Cb -0.13 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.56 3cpw s ASP 74 CO 0.02 0.07 0.17 2.30 0.21 0.00 0.00 175.17 177.94 3cpw n ILE 75 N 3.61 0.00 -3.70 0.77 -5.35 -0.27 -1.89 119.36 112.53 3cpw n ILE 75 Ca -0.10 -2.46 -0.30 0.00 -0.27 0.00 0.00 62.75 59.62 3cpw n ILE 75 Cb 0.52 0.94 -0.15 0.00 -1.74 0.00 0.00 39.64 39.21 3cpw n ILE 75 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3cpw s VAL 76 N -3.18 0.80 -0.43 7.28 1.01 -1.26 -1.78 120.40 122.84 3cpw s VAL 76 Ca 0.24 -1.42 -0.29 0.00 0.00 0.00 0.00 61.98 60.52 3cpw s VAL 76 Cb 0.01 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.80 3cpw s VAL 76 CO 0.17 -0.71 1.44 -0.62 0.00 0.00 0.00 175.10 175.38 3cpw s ASP 77 N 1.57 6.27 0.46 3.32 -1.08 0.12 -4.68 116.67 122.65 3cpw s ASP 77 Ca 0.10 0.79 0.00 0.00 -0.52 0.00 0.00 52.55 52.92 3cpw s ASP 77 Cb -0.18 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 3cpw s ASP 77 CO -0.24 -1.49 0.00 0.61 0.52 0.00 0.00 175.17 174.57 3cpw n GLY 78 N 5.13 0.28 0.00 2.66 0.00 -1.26 0.26 105.19 112.26 3cpw n GLY 78 Ca 0.16 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.84 3cpw n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cpw n GLY 79 N 0.00 0.44 3.84 -0.02 0.00 -1.26 -5.04 105.19 103.15 3cpw n GLY 79 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3cpw n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cpw s LYS 80 N -0.67 3.76 -0.03 1.61 2.20 0.14 -5.07 119.74 121.68 3cpw s LYS 80 Ca 0.00 0.17 -0.27 0.00 -0.36 0.00 0.00 55.97 55.51 3cpw s LYS 80 Cb 0.00 -3.23 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 3cpw s LYS 80 CO 0.00 0.69 0.86 -2.00 -0.36 0.00 0.00 175.35 174.54 3cpw s GLU 81 N -0.93 4.51 0.07 4.03 2.12 -1.26 0.12 118.70 127.36 3cpw s GLU 81 Ca 0.20 1.19 0.01 0.00 0.36 0.00 0.00 54.97 56.72 3cpw s GLU 81 Cb -0.15 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 3cpw s GLU 81 CO 0.09 0.00 -0.05 0.15 -0.54 0.00 0.00 175.26 174.91 3cpw s LYS 82 N 0.90 0.69 -0.12 4.30 1.02 -0.74 -4.93 119.74 120.87 3cpw s LYS 82 Ca 0.46 -1.18 0.03 0.00 0.02 0.00 0.00 55.97 55.29 3cpw s LYS 82 Cb -0.20 -0.06 -0.00 0.00 -0.52 0.00 0.00 37.83 37.05 3cpw s LYS 82 CO 0.24 -0.04 -0.21 0.99 -0.92 0.00 0.00 175.35 175.40 3cpw s THR 83 N -3.31 2.27 -0.10 2.17 2.01 -1.26 -1.12 115.64 116.30 3cpw s THR 83 Ca 0.06 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.14 3cpw s THR 83 Cb 0.03 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 3cpw s THR 83 CO -0.06 0.55 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.65 3cpw s ILE 84 N 0.45 2.96 -0.42 1.82 1.01 0.12 -4.94 121.20 122.21 3cpw s ILE 84 Ca -0.15 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 59.58 3cpw s ILE 84 Cb -0.17 -2.21 0.02 0.00 0.01 0.00 0.00 42.46 40.11 3cpw s ILE 84 CO 0.06 0.55 0.63 -0.63 0.00 0.00 0.00 174.94 175.55 3cpw s ILE 85 N 0.01 4.86 -0.02 2.92 -1.09 -1.26 -0.64 121.20 125.98 3cpw s ILE 85 Ca -0.04 0.19 -0.03 0.00 -2.23 0.00 0.00 60.65 58.53 3cpw s ILE 85 Cb -0.14 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 3cpw s ILE 85 CO 0.04 -0.52 0.07 0.54 -1.23 0.00 0.00 174.94 173.84 3cpw s VAL 86 N 2.76 0.03 0.32 2.92 0.11 -0.06 -4.52 120.40 121.96 3cpw s VAL 86 Ca 0.22 -0.21 -0.05 0.00 -2.93 0.00 0.00 61.98 59.01 3cpw s VAL 86 Cb -0.14 -0.18 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 3cpw s VAL 86 CO 0.18 -0.12 0.60 0.42 -3.33 0.00 0.00 175.10 172.85 3cpw s THR 87 N -0.34 4.99 0.27 5.04 -4.23 -1.05 0.35 115.64 120.68 3cpw s THR 87 Ca -0.04 0.08 -0.02 0.00 -1.18 0.00 0.00 61.69 60.53 3cpw s THR 87 Cb -0.03 -3.76 0.31 0.00 1.34 0.00 0.00 72.50 70.37 3cpw s THR 87 CO 0.00 -0.41 1.63 0.00 -0.54 0.00 0.00 174.62 175.30 3cpw h ALA 88 N 1.41 1.07 -1.15 3.99 0.00 -1.85 -0.85 119.26 121.88 3cpw h ALA 88 Ca -0.48 0.25 0.33 0.00 0.00 0.00 0.00 54.91 55.01 3cpw h ALA 88 Cb 1.19 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 3cpw h ALA 88 CO 0.65 -0.46 1.00 0.00 0.00 0.00 0.00 179.25 180.44 3cpw h ALA 89 N 1.78 3.03 -0.42 0.00 0.00 -1.73 0.31 119.26 122.23 3cpw h ALA 89 Ca 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3cpw h ALA 89 Cb 0.98 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3cpw h ALA 89 CO -0.70 -1.59 0.00 0.72 0.00 0.00 0.00 179.25 177.68 3cpw n HIS 90 N -3.75 1.04 -4.41 0.00 -0.00 -0.32 -4.53 115.22 103.25 3cpw n HIS 90 Ca 0.25 -0.68 -0.21 0.00 -0.00 0.00 0.00 57.72 57.08 3cpw n HIS 90 Cb 1.37 -0.22 -0.10 0.00 -0.00 0.00 0.00 29.99 31.03 3cpw n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3cpw s LEU 91 N -2.00 2.55 -0.13 2.41 1.43 0.11 -1.88 118.68 121.16 3cpw s LEU 91 Ca 0.40 -1.08 -0.09 0.00 -1.03 0.00 0.00 54.13 52.33 3cpw s LEU 91 Cb 0.28 -0.77 0.04 0.00 0.03 0.00 0.00 46.19 45.78 3cpw s LEU 91 CO 0.16 -0.18 0.33 -0.13 0.23 0.00 0.00 176.35 176.76 3cpw s ARG 92 N -3.64 0.34 0.37 1.70 1.81 -1.00 -4.96 118.95 113.57 3cpw s ARG 92 Ca 0.27 0.57 -0.28 0.00 -1.72 0.00 0.00 55.73 54.57 3cpw s ARG 92 Cb -0.00 0.05 -0.10 0.00 -0.45 0.00 0.00 34.95 34.44 3cpw s ARG 92 CO 0.11 -0.11 1.39 1.03 -0.68 0.00 0.00 175.30 177.04 3cpw s ARG 93 N 0.80 4.12 0.33 3.54 0.52 -1.26 -0.32 118.95 126.68 3cpw s ARG 93 Ca -0.05 2.38 -0.23 0.00 -0.52 0.00 0.00 55.73 57.31 3cpw s ARG 93 Cb -0.06 -2.94 -0.10 0.00 0.52 0.00 0.00 34.95 32.37 3cpw s ARG 93 CO -0.06 -0.44 0.90 -1.14 0.02 0.00 0.00 175.30 174.57 3cpw s GLN 94 N -2.06 4.41 0.00 3.54 0.74 -0.25 -4.78 119.66 121.26 3cpw s GLN 94 Ca 0.53 1.16 0.00 0.00 0.05 0.00 0.00 55.36 57.10 3cpw s GLN 94 Cb -0.43 -2.64 0.00 0.00 1.10 0.00 0.00 33.01 31.04 3cpw s GLN 94 CO 0.57 0.22 0.00 -1.91 -0.55 0.00 0.00 175.29 173.62