#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfm n SER 4 N 0.00 3.19 -4.18 7.83 2.88 -1.26 -5.01 113.62 117.08 1pfm n SER 4 Ca 0.00 -3.11 -0.37 0.00 -1.33 0.00 0.00 58.87 54.06 1pfm n SER 4 Cb 0.00 -0.46 -0.12 0.00 -0.75 0.00 0.00 64.21 62.88 1pfm n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pfm s ALA 5 N -3.48 3.11 0.00 -1.46 0.00 -1.26 -4.79 121.76 113.88 1pfm s ALA 5 Ca 0.38 -2.23 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1pfm s ALA 5 Cb 0.40 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1pfm s ALA 5 CO -0.05 -1.63 0.00 1.17 0.00 0.00 0.00 175.76 175.26 1pfm n LYS 6 N 4.70 0.00 -1.67 0.00 4.81 -1.26 -5.04 118.16 119.70 1pfm n LYS 6 Ca -0.07 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.93 1pfm n LYS 6 Cb 0.42 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.46 1pfm n LYS 6 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1pfm n GLU 7 N 0.00 1.96 0.00 1.64 2.13 -1.26 -4.67 120.64 120.44 1pfm n GLU 7 Ca 0.00 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.51 1pfm n GLU 7 Cb 0.00 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.43 1pfm n GLU 7 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1pfm n LEU 8 N 1.42 0.00 -2.19 4.31 0.00 -1.26 -5.07 117.00 114.21 1pfm n LEU 8 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 56.01 56.07 1pfm n LEU 8 Cb 0.33 0.28 -0.01 0.00 0.00 0.00 0.00 43.42 44.02 1pfm n LEU 8 CO 0.62 -0.36 0.48 -1.14 0.00 0.00 0.00 177.39 176.99 1pfm n ARG 9 N -2.09 0.11 -2.13 1.96 0.00 -0.74 -4.99 116.66 108.78 1pfm n ARG 9 Ca 0.00 -0.39 -0.29 0.00 -0.00 0.00 0.00 57.85 57.17 1pfm n ARG 9 Cb 0.00 0.01 0.04 0.00 0.00 0.00 0.00 32.46 32.51 1pfm n ARG 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pfm h GLN 11 N -0.42 0.23 -3.92 0.00 3.07 -2.02 -3.42 115.11 108.63 1pfm h GLN 11 Ca -0.45 -0.39 -0.78 0.00 0.09 0.00 0.00 58.65 57.12 1pfm h GLN 11 Cb 1.25 0.14 -0.25 0.00 0.08 0.00 0.00 27.48 28.70 1pfm h GLN 11 CO 0.62 1.19 0.00 0.00 0.09 0.00 0.00 178.83 180.73 1pfm s VAL 13 N 0.63 4.46 0.32 0.00 1.01 -1.26 -4.85 120.40 120.70 1pfm s VAL 13 Ca 0.13 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.50 1pfm s VAL 13 Cb -0.16 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1pfm s VAL 13 CO -0.05 -0.11 0.00 1.17 0.00 0.00 0.00 175.10 176.11 1pfm n LYS 14 N -0.11 -2.21 -3.67 2.72 4.81 -1.26 -4.68 118.16 113.77 1pfm n LYS 14 Ca 0.04 1.60 -0.35 0.00 -0.87 0.00 0.00 58.31 58.72 1pfm n LYS 14 Cb 0.52 -2.76 -0.08 0.00 0.02 0.00 0.00 35.03 32.74 1pfm n LYS 14 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1pfm s THR 15 N -2.81 5.38 -1.25 3.15 2.01 -1.26 -4.95 115.64 115.91 1pfm s THR 15 Ca 0.00 0.31 -0.05 0.00 0.31 0.00 0.00 61.69 62.26 1pfm s THR 15 Cb 0.00 -3.52 0.13 0.00 0.01 0.00 0.00 72.50 69.12 1pfm s THR 15 CO 0.00 0.42 2.37 0.41 -0.69 0.00 0.00 174.62 177.14 1pfm n THR 16 N 3.52 5.20 1.63 -0.82 -1.04 0.11 -4.63 114.28 118.26 1pfm n THR 16 Ca -0.15 -4.36 0.13 0.00 -2.04 0.00 0.00 64.05 57.64 1pfm n THR 16 Cb 0.52 -2.01 0.78 0.00 -1.82 0.00 0.00 70.33 67.80 1pfm n THR 16 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1pfm n SER 17 N 1.55 0.00 0.18 8.00 2.88 -1.25 -3.60 113.62 121.37 1pfm n SER 17 Ca 0.61 -0.75 0.18 0.00 -1.33 0.00 0.00 58.87 57.59 1pfm n SER 17 Cb 0.26 -0.04 0.78 0.00 -0.75 0.00 0.00 64.21 64.47 1pfm n SER 17 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1pfm h GLN 18 N 0.00 0.00 -6.41 -1.46 3.07 -1.91 -3.40 115.11 105.00 1pfm h GLN 18 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 58.20 1pfm h GLN 18 Cb 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.56 1pfm h GLN 18 CO 0.00 0.00 -0.08 0.08 0.09 0.00 0.00 178.83 178.92 1pfm s VAL 19 N -4.46 4.87 -0.07 1.86 1.01 -1.24 -5.08 120.40 117.31 1pfm s VAL 19 Ca -0.04 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 1pfm s VAL 19 Cb 0.13 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1pfm s VAL 19 CO 0.46 0.06 0.11 0.00 0.00 0.00 0.00 175.10 175.73 1pfm s ARG 20 N -2.45 3.27 -0.07 2.72 1.70 -1.26 -5.07 118.95 117.79 1pfm s ARG 20 Ca 0.44 -0.30 -0.30 0.00 -0.47 0.00 0.00 55.73 55.10 1pfm s ARG 20 Cb -0.13 -3.03 -0.02 0.00 -0.57 0.00 0.00 34.95 31.21 1pfm s ARG 20 CO 0.20 0.72 1.02 -1.25 -1.08 0.00 0.00 175.30 174.90 1pfm s PRO 21 N -1.33 4.45 0.06 3.89 0.04 -1.26 -4.66 135.00 136.19 1pfm s PRO 21 Ca 0.19 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1pfm s PRO 21 Cb -0.12 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1pfm s PRO 21 CO 0.09 -0.26 0.00 0.54 0.04 0.00 0.00 177.00 177.41 1pfm n ARG 22 N 4.72 0.00 -1.13 4.56 5.12 -1.26 -4.93 116.66 123.74 1pfm n ARG 22 Ca 0.08 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.86 1pfm n ARG 22 Cb 0.49 0.00 0.25 0.00 -1.16 0.00 0.00 32.46 32.04 1pfm n ARG 22 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1pfm n HIS 23 N -2.80 2.76 -0.66 -1.55 -0.00 -1.26 -4.98 115.22 106.73 1pfm n HIS 23 Ca 0.00 -1.52 -0.30 0.00 -0.00 0.00 0.00 57.72 55.90 1pfm n HIS 23 Cb 0.00 -0.82 0.26 0.00 -0.00 0.00 0.00 29.99 29.43 1pfm n HIS 23 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 1pfm s ILE 24 N -3.15 1.52 0.00 1.59 2.07 -1.26 -1.48 121.20 120.50 1pfm s ILE 24 Ca 0.56 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.80 1pfm s ILE 24 Cb 0.46 -2.21 0.00 0.00 0.13 0.00 0.00 42.46 40.84 1pfm s ILE 24 CO 0.12 0.00 0.00 0.35 -1.91 0.00 0.00 174.94 173.50 1pfm n THR 25 N -5.17 0.00 -3.60 4.00 -2.24 -0.78 -4.51 114.28 101.98 1pfm n THR 25 Ca 0.10 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.78 1pfm n THR 25 Cb 0.59 -0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 1pfm n THR 25 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pfm s SER 26 N -4.97 -0.30 -0.00 3.42 1.04 -1.19 -5.04 113.70 106.66 1pfm s SER 26 Ca 0.00 -0.27 -0.13 0.00 0.48 0.00 0.00 55.95 56.03 1pfm s SER 26 Cb 0.00 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1pfm s SER 26 CO 0.00 -0.88 0.27 -0.22 0.98 0.00 0.00 173.24 173.39 1pfm s LEU 27 N -2.80 1.00 0.41 2.42 0.20 -1.26 0.24 118.68 118.90 1pfm s LEU 27 Ca 0.03 -0.00 -0.01 0.00 0.69 0.00 0.00 54.13 54.84 1pfm s LEU 27 Cb 0.01 1.15 -0.02 0.00 -0.43 0.00 0.00 46.19 46.90 1pfm s LEU 27 CO -0.12 -0.45 0.64 -1.61 -0.29 0.00 0.00 176.35 174.53 1pfm s GLU 28 N -1.46 3.34 -0.30 1.98 2.02 -0.10 -4.94 118.70 119.24 1pfm s GLU 28 Ca -0.13 -0.28 -0.02 0.00 0.02 0.00 0.00 54.97 54.56 1pfm s GLU 28 Cb -0.05 -2.56 0.12 0.00 0.10 0.00 0.00 34.13 31.74 1pfm s GLU 28 CO 0.03 -0.08 0.21 0.08 0.02 0.00 0.00 175.26 175.52 1pfm s VAL 29 N -2.50 -0.19 -0.09 2.63 1.01 -1.26 -2.83 120.40 117.17 1pfm s VAL 29 Ca 0.45 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 1pfm s VAL 29 Cb -0.10 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1pfm s VAL 29 CO 0.39 -0.65 -0.04 -0.63 0.00 0.00 0.00 175.10 174.17 1pfm s ILE 30 N 2.07 3.92 0.45 2.22 1.09 -0.50 -5.02 121.20 125.42 1pfm s ILE 30 Ca 0.10 -0.39 -0.08 0.00 -1.10 0.00 0.00 60.65 59.19 1pfm s ILE 30 Cb -0.16 -2.63 0.10 0.00 -1.06 0.00 0.00 42.46 38.71 1pfm s ILE 30 CO -0.30 0.59 0.60 1.17 -0.10 0.00 0.00 174.94 176.89 1pfm n LYS 31 N 2.39 -0.65 -2.49 2.79 4.81 -1.26 -1.55 118.16 122.21 1pfm n LYS 31 Ca -0.18 -0.92 -0.39 0.00 -0.87 0.00 0.00 58.31 55.94 1pfm n LYS 31 Cb 0.53 -0.62 -0.03 0.00 0.02 0.00 0.00 35.03 34.92 1pfm n LYS 31 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pfm s ALA 32 N -3.95 2.60 1.00 3.14 0.00 -1.24 -4.04 121.76 119.27 1pfm s ALA 32 Ca 0.34 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.41 1pfm s ALA 32 Cb -0.01 -4.45 0.00 0.00 0.00 0.00 0.00 23.12 18.66 1pfm s ALA 32 CO 0.24 -3.66 0.00 0.41 0.00 0.00 0.00 175.76 172.74 1pfm n GLY 33 N 6.45 -0.69 0.00 0.00 0.00 0.46 -4.59 105.19 106.83 1pfm n GLY 33 Ca 0.25 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1pfm n GLY 33 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pfm n PRO 34 N 0.00 0.00 0.26 1.61 -0.04 -1.26 -2.97 135.00 132.60 1pfm n PRO 34 Ca 0.00 0.46 0.18 0.00 -0.04 0.00 0.00 63.50 64.10 1pfm n PRO 34 Cb 0.00 -1.03 0.91 0.00 -0.04 0.00 0.00 33.50 33.34 1pfm n PRO 34 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1pfm h HIS 35 N 0.00 0.00 -2.97 0.54 2.07 -1.94 -3.17 115.15 109.67 1pfm h HIS 35 Ca 0.00 0.00 -0.62 0.00 -2.85 0.00 0.00 60.37 56.90 1pfm h HIS 35 Cb 0.00 0.00 -0.42 0.00 2.57 0.00 0.00 27.41 29.56 1pfm h HIS 35 CO 0.03 0.00 -0.59 0.00 -3.07 0.00 0.00 177.93 174.30 1pfm h PRO 37 N 5.27 0.00 -6.58 0.00 0.13 -1.51 1.35 132.00 130.66 1pfm h PRO 37 Ca 0.16 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.79 1pfm h PRO 37 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1pfm h PRO 37 CO 0.72 0.00 -0.11 -0.08 -0.23 0.00 0.00 178.00 178.30 1pfm s THR 38 N -3.33 5.02 0.11 1.56 -1.32 -1.26 -4.64 115.64 111.78 1pfm s THR 38 Ca 0.05 -0.05 -0.31 0.00 -1.21 0.00 0.00 61.69 60.16 1pfm s THR 38 Cb 0.09 -3.79 -0.08 0.00 -1.51 0.00 0.00 72.50 67.21 1pfm s THR 38 CO 0.43 -0.48 1.50 0.00 -2.21 0.00 0.00 174.62 173.86 1pfm s ALA 39 N -2.26 3.67 0.02 11.08 0.00 -1.26 -3.73 121.76 129.28 1pfm s ALA 39 Ca 0.44 1.19 0.05 0.00 0.00 0.00 0.00 51.96 53.64 1pfm s ALA 39 Cb -0.10 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 1pfm s ALA 39 CO 0.34 -0.80 -0.13 -1.14 0.00 0.00 0.00 175.76 174.02 1pfm s GLN 40 N 1.58 2.29 -0.09 0.00 0.74 -0.59 -4.87 119.66 118.72 1pfm s GLN 40 Ca 0.68 -0.86 -0.04 0.00 0.05 0.00 0.00 55.36 55.19 1pfm s GLN 40 Cb -0.39 -2.32 0.04 0.00 1.10 0.00 0.00 33.01 31.44 1pfm s GLN 40 CO 0.31 0.57 0.19 -1.17 -0.55 0.00 0.00 175.29 174.64 1pfm s LEU 41 N -1.39 0.47 0.41 3.68 2.96 -1.25 -1.41 118.68 122.14 1pfm s LEU 41 Ca 0.15 0.41 0.07 0.00 -0.22 0.00 0.00 54.13 54.54 1pfm s LEU 41 Cb -0.11 0.52 -0.06 0.00 0.50 0.00 0.00 46.19 47.04 1pfm s LEU 41 CO 0.06 -0.17 0.11 -0.63 -1.32 0.00 0.00 176.35 174.40 1pfm s ILE 42 N 1.39 2.18 0.35 6.68 -1.09 -1.13 -1.95 121.20 127.64 1pfm s ILE 42 Ca -0.07 -1.82 -0.03 0.00 -2.23 0.00 0.00 60.65 56.50 1pfm s ILE 42 Cb -0.11 -3.00 0.01 0.00 -1.58 0.00 0.00 42.46 37.77 1pfm s ILE 42 CO -0.07 0.00 0.50 0.00 -1.23 0.00 0.00 174.94 174.14 1pfm s ALA 43 N -2.64 0.75 -0.07 9.38 0.00 -0.67 -0.92 121.76 127.58 1pfm s ALA 43 Ca 0.39 -1.51 -0.05 0.00 0.00 0.00 0.00 51.96 50.78 1pfm s ALA 43 Cb 0.06 1.13 0.02 0.00 0.00 0.00 0.00 23.12 24.34 1pfm s ALA 43 CO 0.21 -0.80 0.17 0.99 0.00 0.00 0.00 175.76 176.33 1pfm s THR 44 N -2.95 -0.01 0.00 0.00 2.01 0.14 -2.99 115.64 111.85 1pfm s THR 44 Ca 0.30 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1pfm s THR 44 Cb -0.01 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.25 1pfm s THR 44 CO 0.21 0.01 0.00 0.18 -0.69 0.00 0.00 174.62 174.33 1pfm n LEU 45 N 3.19 0.00 -0.08 4.42 4.32 -1.11 -1.87 117.00 125.88 1pfm n LEU 45 Ca -0.15 -0.01 -0.14 0.00 -0.02 0.00 0.00 56.01 55.69 1pfm n LEU 45 Cb 0.58 -0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.33 1pfm n LEU 45 CO 0.20 -0.39 0.49 0.11 -1.22 0.00 0.00 177.39 176.58 1pfm h LYS 46 N 0.00 0.73 -6.06 3.23 1.79 -1.49 -3.30 116.57 111.46 1pfm h LYS 46 Ca -0.00 -0.44 -0.59 0.00 -2.18 0.00 0.00 60.65 57.44 1pfm h LYS 46 Cb 0.01 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 30.60 1pfm h LYS 46 CO 0.00 1.06 1.25 -0.80 -1.08 0.00 0.00 179.45 179.88 1pfm s ASN 47 N -6.69 6.38 -0.07 0.86 0.01 -1.26 -4.81 114.94 109.36 1pfm s ASN 47 Ca -0.12 -1.15 -0.01 0.00 -0.71 0.00 0.00 52.86 50.88 1pfm s ASN 47 Cb 0.09 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.18 1pfm s ASN 47 CO 0.85 -1.58 0.70 0.61 -1.51 0.00 0.00 177.10 176.17 1pfm n GLY 48 N 6.20 -0.04 3.35 0.66 0.00 -1.24 -4.76 105.19 109.36 1pfm n GLY 48 Ca 0.20 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1pfm n GLY 48 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pfm n ARG 49 N 2.84 0.49 -3.69 1.61 1.85 -1.26 -4.96 116.66 113.54 1pfm n ARG 49 Ca 0.05 -3.46 -0.12 0.00 -1.00 0.00 0.00 57.85 53.33 1pfm n ARG 49 Cb 0.28 2.32 -0.12 0.00 -1.05 0.00 0.00 32.46 33.89 1pfm n ARG 49 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1pfm s LYS 50 N -3.49 0.25 0.00 2.89 3.01 -1.26 -2.73 119.74 118.41 1pfm s LYS 50 Ca 0.30 0.72 0.00 0.00 -1.01 0.00 0.00 55.97 55.99 1pfm s LYS 50 Cb 0.01 -0.01 0.00 0.00 -1.01 0.00 0.00 37.83 36.82 1pfm s LYS 50 CO 0.21 -0.21 0.00 0.44 0.51 0.00 0.00 175.35 176.30 1pfm n ILE 51 N 4.72 0.00 -3.64 2.17 -6.64 -1.16 -4.89 119.36 109.93 1pfm n ILE 51 Ca -0.17 0.00 -0.11 0.00 -1.77 0.00 0.00 62.75 60.70 1pfm n ILE 51 Cb 0.52 -0.06 -0.07 0.00 -1.44 0.00 0.00 39.64 38.59 1pfm n ILE 51 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1pfm n LEU 53 N 2.43 0.00 0.00 0.00 4.77 -0.82 -0.71 117.00 122.67 1pfm n LEU 53 Ca -0.13 -1.30 -0.14 0.00 -0.03 0.00 0.00 56.01 54.41 1pfm n LEU 53 Cb 0.56 0.31 0.04 0.00 -2.33 0.00 0.00 43.42 42.00 1pfm n LEU 53 CO 0.02 -0.19 0.23 -0.90 -1.33 0.00 0.00 177.39 175.22 1pfm n ASP 54 N -1.54 1.51 -0.17 -1.43 5.68 -1.26 -3.88 116.55 115.46 1pfm n ASP 54 Ca -0.05 -2.07 0.01 0.00 -0.50 0.00 0.00 54.79 52.18 1pfm n ASP 54 Cb 0.26 -0.27 0.02 0.00 -1.14 0.00 0.00 41.12 39.99 1pfm n ASP 54 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1pfm n LEU 55 N 0.00 0.63 -0.01 -2.12 7.94 -1.26 -4.63 117.00 117.54 1pfm n LEU 55 Ca 0.10 -1.05 0.01 0.00 -1.11 0.00 0.00 56.01 53.96 1pfm n LEU 55 Cb 0.41 -0.06 -0.04 0.00 0.53 0.00 0.00 43.42 44.26 1pfm n LEU 55 CO 0.26 0.25 -0.60 0.00 -1.11 0.00 0.00 177.39 176.20 1pfm n GLN 56 N -0.27 1.31 -2.58 1.96 6.02 -1.26 -5.03 117.38 117.53 1pfm n GLN 56 Ca 0.02 -0.03 -0.25 0.00 -0.01 0.00 0.00 57.00 56.73 1pfm n GLN 56 Cb 0.54 -1.13 0.03 0.00 1.02 0.00 0.00 30.24 30.70 1pfm n GLN 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pfm s ALA 57 N -2.28 3.46 -1.77 -1.58 0.00 -1.26 -4.96 121.76 113.36 1pfm s ALA 57 Ca -0.02 -0.83 0.29 0.00 0.00 0.00 0.00 51.96 51.39 1pfm s ALA 57 Cb 0.03 -2.44 1.61 0.00 0.00 0.00 0.00 23.12 22.32 1pfm s ALA 57 CO 0.22 -0.68 2.03 -0.35 0.00 0.00 0.00 175.76 176.98 1pfm n PRO 58 N -2.42 0.71 0.22 0.00 -0.04 -1.26 -3.85 135.00 128.35 1pfm n PRO 58 Ca 0.04 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.36 1pfm n PRO 58 Cb 0.58 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 1pfm n PRO 58 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1pfm h LEU 59 N 0.00 -0.46 -1.55 1.53 5.85 -1.95 -2.36 115.31 116.37 1pfm h LEU 59 Ca 0.00 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1pfm h LEU 59 Cb 0.10 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1pfm h LEU 59 CO 0.00 -0.17 -0.05 0.10 -0.34 0.00 0.00 178.44 177.99 1pfm h TYR 60 N -0.77 0.00 0.00 1.25 -0.00 -1.82 -1.71 116.97 113.93 1pfm h TYR 60 Ca -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.65 1pfm h TYR 60 Cb 0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.25 1pfm h TYR 60 CO -0.00 0.05 -0.14 -0.22 -0.00 0.00 0.00 178.16 177.85 1pfm h LYS 61 N 0.00 0.00 0.00 0.10 3.11 -1.58 0.48 116.57 118.68 1pfm h LYS 61 Ca -0.00 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.71 1pfm h LYS 61 Cb 0.50 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.71 1pfm h LYS 61 CO 0.01 0.14 -0.59 0.87 -2.81 0.00 0.00 179.45 177.06 1pfm h LYS 62 N 0.00 0.00 0.37 1.90 1.79 -0.81 -1.37 116.57 118.45 1pfm h LYS 62 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1pfm h LYS 62 Cb 0.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 1pfm h LYS 62 CO 0.02 0.59 -0.18 0.82 -1.08 0.00 0.00 179.45 179.62 1pfm h ILE 63 N 0.00 0.00 -0.97 1.86 2.04 -0.95 -1.09 117.51 118.40 1pfm h ILE 63 Ca -0.01 -0.50 0.09 0.00 1.00 0.00 0.00 64.86 65.45 1pfm h ILE 63 Cb 1.26 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 1pfm h ILE 63 CO 0.08 0.00 0.62 0.40 0.00 0.00 0.00 178.15 179.25 1pfm h ILE 64 N -1.00 1.00 -0.39 -0.67 2.04 -1.37 0.18 117.51 117.30 1pfm h ILE 64 Ca -0.05 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 1pfm h ILE 64 Cb 0.38 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 1pfm h ILE 64 CO 0.08 0.19 0.04 0.11 0.00 0.00 0.00 178.15 178.57 1pfm h LYS 65 N 1.03 0.61 0.00 2.37 1.79 -1.28 -0.16 116.57 120.92 1pfm h LYS 65 Ca 0.45 -0.13 -0.03 0.00 -2.18 0.00 0.00 60.65 58.76 1pfm h LYS 65 Cb 0.34 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1pfm h LYS 65 CO -0.20 0.60 -0.16 0.87 -1.08 0.00 0.00 179.45 179.48 1pfm h LYS 66 N 0.58 0.00 0.00 3.15 1.57 0.65 -2.15 116.57 120.37 1pfm h LYS 66 Ca 0.13 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 1pfm h LYS 66 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1pfm h LYS 66 CO 0.01 0.16 -0.85 -0.07 -0.57 0.00 0.00 179.45 178.12 1pfm h LEU 67 N 0.00 0.00 0.01 2.94 3.38 0.33 -3.31 115.31 118.66 1pfm h LEU 67 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1pfm h LEU 67 Cb 0.66 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.42 1pfm h LEU 67 CO 0.02 0.60 -0.85 -0.07 0.09 0.00 0.00 178.44 178.23 1pfm h LEU 68 N 0.00 0.73 -1.71 1.67 3.38 -0.70 -3.14 115.31 115.54 1pfm h LEU 68 Ca -0.06 -0.76 0.24 0.00 0.09 0.00 0.00 57.88 57.39 1pfm h LEU 68 Cb 1.51 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 1pfm h LEU 68 CO 0.07 1.40 0.80 1.05 0.09 0.00 0.00 178.44 181.85 1pfm h GLU 69 N 0.15 0.00 -0.02 1.13 -0.00 -1.49 -3.52 114.58 110.83 1pfm h GLU 69 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.25 1pfm h GLU 69 Cb 1.54 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.29 1pfm h GLU 69 CO 0.17 0.00 0.00 0.43 -0.00 0.00 0.00 179.01 179.61