#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfm s SER 4 N 0.00 -0.89 -0.58 6.12 0.01 -1.26 -5.11 113.70 111.98 1pfm s SER 4 Ca 0.00 0.71 -0.21 0.00 1.31 0.00 0.00 55.95 57.76 1pfm s SER 4 Cb 0.00 1.81 0.07 0.00 0.21 0.00 0.00 66.02 68.11 1pfm s SER 4 CO 0.00 -0.17 0.80 0.00 0.41 0.00 0.00 173.24 174.28 1pfm s ALA 5 N 2.83 3.27 0.00 1.44 0.00 -1.26 -4.95 121.76 123.10 1pfm s ALA 5 Ca 0.07 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.19 1pfm s ALA 5 Cb -0.12 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1pfm s ALA 5 CO -0.17 -2.40 0.00 0.36 0.00 0.00 0.00 175.76 173.55 1pfm n LYS 6 N 6.89 0.00 -1.62 0.00 2.85 -1.26 -4.99 118.16 120.03 1pfm n LYS 6 Ca -0.05 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.77 1pfm n LYS 6 Cb 0.45 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.81 1pfm n LYS 6 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1pfm n GLU 7 N 0.00 1.59 0.00 -1.58 2.13 -1.26 -4.56 120.64 116.97 1pfm n GLU 7 Ca 0.00 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.38 1pfm n GLU 7 Cb 0.00 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 29.70 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 1.19 0.00 -0.37 4.31 0.00 -1.25 -5.02 117.00 115.86 1pfm n LEU 8 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.10 1pfm n LEU 8 Cb 0.33 0.19 0.00 0.00 0.00 0.00 0.00 43.42 43.94 1pfm n LEU 8 CO 0.61 -0.41 0.21 -1.14 0.00 0.00 0.00 177.39 176.66 1pfm n ARG 9 N -2.22 0.00 -3.27 1.96 0.00 -0.82 -5.02 116.66 107.29 1pfm n ARG 9 Ca 0.00 -0.34 -0.39 0.00 -0.00 0.00 0.00 57.85 57.12 1pfm n ARG 9 Cb 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 32.46 32.20 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 7.39 0.00 -2.22 0.00 5.75 -1.98 -3.29 115.11 120.76 1pfm h GLN 11 Ca -0.35 0.00 -0.74 0.00 -0.15 0.00 0.00 58.65 57.42 1pfm h GLN 11 Cb 1.16 0.00 -0.32 0.00 1.07 0.00 0.00 27.48 29.39 1pfm h GLN 11 CO 0.74 0.32 0.50 0.00 -2.65 0.00 0.00 178.83 177.74 1pfm h VAL 13 N 2.43 1.23 -1.83 0.00 -1.51 -1.98 -3.43 116.25 111.16 1pfm h VAL 13 Ca 0.42 -1.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1pfm h VAL 13 Cb 0.37 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1pfm h VAL 13 CO 1.08 0.33 0.00 1.17 -1.23 0.00 0.00 177.57 178.92 1pfm n LYS 14 N -4.17 3.03 -4.43 5.19 4.81 -1.26 -5.07 118.16 116.27 1pfm n LYS 14 Ca -0.01 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.18 1pfm n LYS 14 Cb 0.36 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.24 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 1.85 1.03 -1.26 3.15 2.01 -1.26 -4.90 115.64 116.26 1pfm s THR 15 Ca 0.00 -0.40 -0.05 0.00 0.31 0.00 0.00 61.69 61.55 1pfm s THR 15 Cb 0.00 -0.97 0.14 0.00 0.01 0.00 0.00 72.50 71.68 1pfm s THR 15 CO 0.00 0.34 2.34 0.41 -0.69 0.00 0.00 174.62 177.02 1pfm n THR 16 N 4.01 5.28 0.37 -0.82 -1.04 -0.01 -4.66 114.28 117.42 1pfm n THR 16 Ca -0.22 -4.46 0.11 0.00 -2.04 0.00 0.00 64.05 57.44 1pfm n THR 16 Cb 0.51 -2.00 0.47 0.00 -1.82 0.00 0.00 70.33 67.49 1pfm n THR 16 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1pfm n SER 17 N 1.49 0.55 0.19 8.00 7.64 -1.25 -2.81 113.62 127.43 1pfm n SER 17 Ca 0.60 0.65 0.18 0.00 1.01 0.00 0.00 58.87 61.32 1pfm n SER 17 Cb 0.26 -0.76 0.77 0.00 -1.01 0.00 0.00 64.21 63.46 1pfm n SER 17 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1pfm h GLN 18 N 0.00 0.00 -7.11 1.43 4.20 -1.91 -3.41 115.11 108.31 1pfm h GLN 18 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 1pfm h GLN 18 Cb 0.30 0.00 0.16 0.00 0.30 0.00 0.00 27.48 28.24 1pfm h GLN 18 CO 0.00 0.00 0.49 1.55 -0.67 0.00 0.00 178.83 180.20 1pfm n VAL 19 N -3.37 4.71 -4.01 -0.54 3.14 -1.12 -4.99 118.33 112.15 1pfm n VAL 19 Ca 0.03 -0.48 -0.35 0.00 -2.96 0.00 0.00 64.34 60.59 1pfm n VAL 19 Cb 0.52 -1.46 -0.11 0.00 -1.06 0.00 0.00 33.84 31.73 1pfm n VAL 19 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1pfm s ARG 20 N -3.42 3.86 -0.41 1.45 3.52 -1.26 -5.06 118.95 117.64 1pfm s ARG 20 Ca 0.82 -0.40 -0.29 0.00 -0.13 0.00 0.00 55.73 55.73 1pfm s ARG 20 Cb -0.37 -3.20 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1pfm s ARG 20 CO 0.41 0.17 1.13 -1.25 -0.81 0.00 0.00 175.30 174.95 1pfm s PRO 21 N 0.65 3.86 0.00 5.12 0.04 -1.26 -4.37 135.00 139.04 1pfm s PRO 21 Ca 0.03 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1pfm s PRO 21 Cb -0.13 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1pfm s PRO 21 CO 0.02 -1.19 0.00 0.54 0.04 0.00 0.00 177.00 176.41 1pfm n ARG 22 N 7.45 0.00 -1.02 4.56 5.12 -1.26 -4.94 116.66 126.57 1pfm n ARG 22 Ca 0.12 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.97 1pfm n ARG 22 Cb 0.48 0.00 0.29 0.00 -1.16 0.00 0.00 32.46 32.07 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 0.00 2.41 -0.72 -1.55 -0.00 -1.26 -4.99 115.22 109.11 1pfm n HIS 23 Ca 0.00 -1.28 -0.29 0.00 -0.00 0.00 0.00 57.72 56.15 1pfm n HIS 23 Cb 0.00 -0.69 0.25 0.00 -0.00 0.00 0.00 29.99 29.55 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 -3.04 1.67 0.00 1.59 2.07 -1.26 -0.00 121.20 122.23 1pfm s ILE 24 Ca 0.55 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.79 1pfm s ILE 24 Cb 0.44 -2.23 0.00 0.00 0.13 0.00 0.00 42.46 40.80 1pfm s ILE 24 CO 0.13 0.00 0.00 1.07 -1.91 0.00 0.00 174.94 174.23 1pfm n THR 25 N -5.00 0.00 -3.53 4.00 5.66 -0.75 -4.29 114.28 110.37 1pfm n THR 25 Ca 0.08 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.00 1pfm n THR 25 Cb 0.58 -0.32 -0.02 0.00 -1.55 0.00 0.00 70.33 69.01 1pfm n THR 25 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1pfm s SER 26 N -4.05 -0.33 -0.00 1.09 1.04 -1.17 -5.04 113.70 105.24 1pfm s SER 26 Ca 0.00 0.06 -0.09 0.00 0.48 0.00 0.00 55.95 56.40 1pfm s SER 26 Cb 0.00 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.46 1pfm s SER 26 CO 0.00 -0.52 0.17 -1.48 0.98 0.00 0.00 173.24 172.39 1pfm s LEU 27 N -2.23 1.43 0.33 2.42 0.05 -1.26 0.70 118.68 120.12 1pfm s LEU 27 Ca 0.05 -0.14 -0.04 0.00 0.05 0.00 0.00 54.13 54.05 1pfm s LEU 27 Cb -0.01 0.77 -0.05 0.00 -2.05 0.00 0.00 46.19 44.86 1pfm s LEU 27 CO -0.07 -0.37 0.59 -1.61 -0.55 0.00 0.00 176.35 174.34 1pfm s GLU 28 N -1.32 3.59 -0.29 1.48 2.02 0.47 -4.92 118.70 119.73 1pfm s GLU 28 Ca -0.14 -0.03 -0.02 0.00 0.02 0.00 0.00 54.97 54.81 1pfm s GLU 28 Cb -0.07 -2.60 0.09 0.00 0.10 0.00 0.00 34.13 31.65 1pfm s GLU 28 CO 0.02 0.13 0.09 0.08 0.02 0.00 0.00 175.26 175.61 1pfm s VAL 29 N -2.23 0.70 -0.11 2.63 1.01 -1.26 -2.07 120.40 119.06 1pfm s VAL 29 Ca 0.44 -1.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1pfm s VAL 29 Cb -0.10 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1pfm s VAL 29 CO 0.33 -0.62 -0.08 -0.63 0.00 0.00 0.00 175.10 174.10 1pfm s ILE 30 N 1.72 3.53 0.00 2.22 1.01 -0.46 -5.02 121.20 124.20 1pfm s ILE 30 Ca 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1pfm s ILE 30 Cb -0.17 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.82 1pfm s ILE 30 CO -0.25 0.55 0.00 1.17 0.00 0.00 0.00 174.94 176.41 1pfm n LYS 31 N 2.95 0.26 -2.51 2.79 4.81 -1.26 -1.86 118.16 123.33 1pfm n LYS 31 Ca -0.18 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.86 1pfm n LYS 31 Cb 0.53 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.55 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 -3.91 2.70 1.00 3.14 0.00 -1.23 -4.11 121.76 119.36 1pfm s ALA 32 Ca 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 51.96 49.66 1pfm s ALA 32 Cb 0.00 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.57 1pfm s ALA 32 CO 0.00 -3.70 0.00 0.41 0.00 0.00 0.00 175.76 172.47 1pfm n GLY 33 N 6.62 -0.93 0.00 0.00 0.00 0.49 -4.62 105.19 106.76 1pfm n GLY 33 Ca 0.36 -1.43 -0.00 0.00 0.00 0.00 0.00 46.02 44.95 1pfm n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pfm h PRO 34 N 0.00 -0.00 -0.73 1.61 0.13 -1.96 -2.86 132.00 128.19 1pfm h PRO 34 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.28 1pfm h PRO 34 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1pfm h PRO 34 CO 0.00 -0.00 0.49 1.12 -0.23 0.00 0.00 178.00 179.38 1pfm h HIS 35 N -0.02 0.42 -3.32 1.56 2.07 -1.95 -2.99 115.15 110.93 1pfm h HIS 35 Ca -0.00 0.01 -0.70 0.00 -2.85 0.00 0.00 60.37 56.83 1pfm h HIS 35 Cb 0.00 -0.13 -0.36 0.00 2.57 0.00 0.00 27.41 29.49 1pfm h HIS 35 CO 0.02 0.16 -0.14 0.00 -3.07 0.00 0.00 177.93 174.90 1pfm h PRO 37 N 6.03 0.00 -6.76 0.00 0.13 -1.35 1.44 132.00 131.50 1pfm h PRO 37 Ca 0.15 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.81 1pfm h PRO 37 Cb 0.82 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.98 1pfm h PRO 37 CO 0.84 0.00 -0.05 -0.08 -0.23 0.00 0.00 178.00 178.48 1pfm s THR 38 N -3.49 3.97 0.12 1.56 -1.32 -1.26 -4.62 115.64 110.61 1pfm s THR 38 Ca 0.02 -0.41 -0.30 0.00 -1.21 0.00 0.00 61.69 59.79 1pfm s THR 38 Cb 0.09 -3.49 -0.07 0.00 -1.51 0.00 0.00 72.50 67.53 1pfm s THR 38 CO 0.45 -0.37 1.24 0.00 -2.21 0.00 0.00 174.62 173.73 1pfm s ALA 39 N -2.62 3.45 -0.04 11.08 0.00 -1.26 -3.56 121.76 128.81 1pfm s ALA 39 Ca 0.49 0.94 0.02 0.00 0.00 0.00 0.00 51.96 53.41 1pfm s ALA 39 Cb -0.10 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1pfm s ALA 39 CO 0.39 -0.45 -0.07 -1.14 0.00 0.00 0.00 175.76 174.50 1pfm s GLN 40 N 0.55 0.98 -0.05 0.00 0.74 -0.78 -4.88 119.66 116.23 1pfm s GLN 40 Ca 0.58 -0.20 0.05 0.00 0.05 0.00 0.00 55.36 55.83 1pfm s GLN 40 Cb -0.32 -0.92 -0.00 0.00 1.10 0.00 0.00 33.01 32.87 1pfm s GLN 40 CO 0.32 -0.01 -0.19 -1.17 -0.55 0.00 0.00 175.29 173.70 1pfm s LEU 41 N 0.66 1.94 0.39 3.68 2.96 -1.23 -1.35 118.68 125.73 1pfm s LEU 41 Ca -0.10 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 53.50 1pfm s LEU 41 Cb -0.13 -1.05 -0.06 0.00 0.50 0.00 0.00 46.19 45.45 1pfm s LEU 41 CO 0.01 0.17 0.07 -0.63 -1.32 0.00 0.00 176.35 174.65 1pfm s ILE 42 N 0.03 2.30 0.35 6.68 -1.09 -0.88 -2.04 121.20 126.54 1pfm s ILE 42 Ca -0.04 -1.88 0.02 0.00 -2.23 0.00 0.00 60.65 56.51 1pfm s ILE 42 Cb -0.12 -2.93 -0.01 0.00 -1.58 0.00 0.00 42.46 37.82 1pfm s ILE 42 CO 0.03 -0.06 0.41 0.00 -1.23 0.00 0.00 174.94 174.09 1pfm n ALA 43 N -1.06 0.08 -3.07 9.38 0.00 -0.80 -0.39 120.51 124.64 1pfm n ALA 43 Ca -0.03 -1.77 -0.12 0.00 0.00 0.00 0.00 53.44 51.52 1pfm n ALA 43 Cb 0.65 1.43 -0.12 0.00 0.00 0.00 0.00 19.45 21.40 1pfm n ALA 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pfm s THR 44 N -3.03 -0.00 0.17 0.00 2.01 0.22 -3.09 115.64 111.91 1pfm s THR 44 Ca 0.34 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.37 1pfm s THR 44 Cb 0.00 -0.25 0.02 0.00 0.01 0.00 0.00 72.50 72.29 1pfm s THR 44 CO 0.24 0.00 0.21 0.18 -0.69 0.00 0.00 174.62 174.56 1pfm n LEU 45 N 3.03 0.00 0.09 4.42 4.77 -1.14 -1.81 117.00 126.36 1pfm n LEU 45 Ca -0.13 -0.75 -0.06 0.00 -0.03 0.00 0.00 56.01 55.04 1pfm n LEU 45 Cb 0.59 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.64 1pfm n LEU 45 CO 0.20 -0.51 0.38 0.07 -1.33 0.00 0.00 177.39 176.20 1pfm h LYS 46 N 0.00 0.20 -5.41 3.23 2.10 -0.61 -3.30 116.57 112.79 1pfm h LYS 46 Ca -0.08 -0.17 -0.66 0.00 -2.00 0.00 0.00 60.65 57.74 1pfm h LYS 46 Cb 0.36 0.04 -0.15 0.00 -0.90 0.00 0.00 32.23 31.58 1pfm h LYS 46 CO 0.12 0.84 1.07 -0.80 -2.00 0.00 0.00 179.45 178.68 1pfm s ASN 47 N -6.90 6.58 -0.01 7.07 0.01 -1.26 -4.83 114.94 115.59 1pfm s ASN 47 Ca -0.03 -1.83 -0.00 0.00 -0.71 0.00 0.00 52.86 50.28 1pfm s ASN 47 Cb 0.11 -2.46 -0.00 0.00 0.41 0.00 0.00 41.25 39.31 1pfm s ASN 47 CO 0.81 -1.22 0.55 0.61 -1.51 0.00 0.00 177.10 176.34 1pfm n GLY 48 N 5.98 -0.01 1.59 0.66 0.00 -1.24 -4.74 105.19 107.44 1pfm n GLY 48 Ca 0.27 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 2.43 0.47 -3.69 1.61 1.85 -1.26 -4.96 116.66 113.10 1pfm n ARG 49 Ca 0.01 -1.64 -0.10 0.00 -1.00 0.00 0.00 57.85 55.12 1pfm n ARG 49 Cb 0.26 1.12 -0.10 0.00 -1.05 0.00 0.00 32.46 32.69 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 -2.70 0.41 0.00 2.89 3.01 -1.26 -2.90 119.74 119.19 1pfm s LYS 50 Ca 0.15 0.85 0.00 0.00 -1.01 0.00 0.00 55.97 55.96 1pfm s LYS 50 Cb 0.01 0.03 0.00 0.00 -1.01 0.00 0.00 37.83 36.86 1pfm s LYS 50 CO 0.10 -0.17 0.00 0.44 0.51 0.00 0.00 175.35 176.24 1pfm n ILE 51 N 4.41 0.00 -3.62 2.17 -6.64 -1.18 -4.91 119.36 109.59 1pfm n ILE 51 Ca -0.21 0.00 -0.08 0.00 -1.77 0.00 0.00 62.75 60.69 1pfm n ILE 51 Cb 0.55 0.00 -0.06 0.00 -1.44 0.00 0.00 39.64 38.69 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 1.45 0.00 -5.01 0.00 4.77 -0.87 -0.83 117.00 116.51 1pfm n LEU 53 Ca -0.10 -3.11 -0.19 0.00 -0.03 0.00 0.00 56.01 52.58 1pfm n LEU 53 Cb 0.57 0.89 0.04 0.00 -2.33 0.00 0.00 43.42 42.59 1pfm n LEU 53 CO 0.07 -0.47 0.30 1.51 -1.33 0.00 0.00 177.39 177.47 1pfm s ASP 54 N -3.54 5.24 -0.00 -1.43 1.47 -1.26 -3.54 116.67 113.61 1pfm s ASP 54 Ca 0.16 -0.53 0.01 0.00 1.18 0.00 0.00 52.55 53.37 1pfm s ASP 54 Cb 0.01 -0.23 -0.01 0.00 -0.34 0.00 0.00 42.92 42.35 1pfm s ASP 54 CO 0.12 -1.16 0.02 -0.11 0.68 0.00 0.00 175.17 174.72 1pfm n LEU 55 N -2.18 0.01 -1.65 2.11 7.94 -1.26 -4.53 117.00 117.45 1pfm n LEU 55 Ca 0.12 -0.15 -0.01 0.00 -1.11 0.00 0.00 56.01 54.86 1pfm n LEU 55 Cb 0.60 0.00 0.25 0.00 0.53 0.00 0.00 43.42 44.81 1pfm n LEU 55 CO 0.40 0.00 0.82 1.67 -1.11 0.00 0.00 177.39 179.18 1pfm n GLN 56 N -1.38 3.35 -4.26 1.96 7.27 -1.26 -4.90 117.38 118.16 1pfm n GLN 56 Ca -0.00 -2.32 -0.16 0.00 0.07 0.00 0.00 57.00 54.59 1pfm n GLN 56 Cb 0.02 -2.02 -0.10 0.00 2.41 0.00 0.00 30.24 30.55 1pfm n GLN 56 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pfm s ALA 57 N -2.36 1.55 -1.68 1.69 0.00 -1.26 -5.02 121.76 114.69 1pfm s ALA 57 Ca 0.41 -1.47 0.29 0.00 0.00 0.00 0.00 51.96 51.19 1pfm s ALA 57 Cb 0.32 -0.01 1.57 0.00 0.00 0.00 0.00 23.12 25.01 1pfm s ALA 57 CO 0.11 -0.02 2.03 -0.35 0.00 0.00 0.00 175.76 177.53 1pfm n PRO 58 N -0.04 0.63 0.19 0.00 -0.04 -1.26 -3.87 135.00 130.61 1pfm n PRO 58 Ca -0.11 0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.23 1pfm n PRO 58 Cb 0.60 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.43 -1.47 1.53 5.85 -1.95 -2.53 115.31 116.32 1pfm h LEU 59 Ca 0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1pfm h LEU 59 Cb 0.15 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1pfm h LEU 59 CO 0.00 -0.06 0.00 0.10 -0.34 0.00 0.00 178.44 178.14 1pfm h TYR 60 N -0.84 0.00 0.00 1.25 -0.00 -1.80 -1.51 116.97 114.07 1pfm h TYR 60 Ca -0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.63 1pfm h TYR 60 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.26 1pfm h TYR 60 CO 0.02 0.00 -0.24 -0.22 -0.00 0.00 0.00 178.16 177.72 1pfm h LYS 61 N 0.00 0.00 0.00 0.10 3.64 -1.60 -0.35 116.57 118.35 1pfm h LYS 61 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1pfm h LYS 61 Cb 0.40 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1pfm h LYS 61 CO 0.00 0.24 -0.25 0.87 -2.27 0.00 0.00 179.45 178.05 1pfm h LYS 62 N 0.00 0.00 0.06 1.90 1.79 -0.86 -1.62 116.57 117.85 1pfm h LYS 62 Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1pfm h LYS 62 Cb 0.66 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1pfm h LYS 62 CO 0.03 0.25 -0.03 0.82 -1.08 0.00 0.00 179.45 179.44 1pfm h ILE 63 N 0.00 1.06 -0.81 1.86 2.04 -1.10 -1.40 117.51 119.16 1pfm h ILE 63 Ca -0.00 -1.54 0.03 0.00 1.00 0.00 0.00 64.86 64.36 1pfm h ILE 63 Cb 0.96 1.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.88 1pfm h ILE 63 CO 0.03 0.32 0.52 0.40 0.00 0.00 0.00 178.15 179.42 1pfm h ILE 64 N -0.91 1.12 -0.66 -0.67 2.04 -1.33 0.51 117.51 117.60 1pfm h ILE 64 Ca -0.01 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 1pfm h ILE 64 Cb 0.59 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1pfm h ILE 64 CO 0.01 0.18 0.22 0.11 0.00 0.00 0.00 178.15 178.68 1pfm h LYS 65 N 1.00 1.01 0.00 2.37 1.79 -1.36 -0.17 116.57 121.20 1pfm h LYS 65 Ca 0.33 -0.19 -0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1pfm h LYS 65 Cb 0.03 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.52 1pfm h LYS 65 CO -0.12 0.85 -0.01 -0.22 -1.08 0.00 0.00 179.45 178.87 1pfm h LYS 66 N 0.97 0.00 0.00 3.15 3.64 0.01 -2.14 116.57 122.21 1pfm h LYS 66 Ca 0.22 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.50 1pfm h LYS 66 Cb 0.26 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1pfm h LYS 66 CO -0.01 0.01 -1.07 -0.07 -2.27 0.00 0.00 179.45 176.04 1pfm h LEU 67 N 0.00 0.00 0.18 5.20 3.38 0.56 -3.34 115.31 121.29 1pfm h LEU 67 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1pfm h LEU 67 Cb 0.51 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.29 1pfm h LEU 67 CO 0.00 0.36 -1.36 -0.07 0.09 0.00 0.00 178.44 177.46 1pfm h LEU 68 N 0.00 0.87 -1.77 1.67 3.38 -0.60 -3.19 115.31 115.66 1pfm h LEU 68 Ca -0.08 -0.86 0.29 0.00 0.09 0.00 0.00 57.88 57.32 1pfm h LEU 68 Cb 1.34 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1pfm h LEU 68 CO 0.03 1.66 0.87 1.05 0.09 0.00 0.00 178.44 182.14 1pfm h GLU 69 N 0.22 0.00 0.00 1.13 -0.00 -1.52 -3.51 114.58 110.89 1pfm h GLU 69 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.14 1pfm h GLU 69 Cb 2.04 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.79 1pfm h GLU 69 CO 0.26 0.00 0.00 -1.13 -0.00 0.00 0.00 179.01 178.14