#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 2.27 0.00 7.83 0.01 -1.26 -5.11 113.70 117.44 1pfm s SER 4 Ca 0.00 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1pfm s SER 4 Cb 0.00 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.84 1pfm s SER 4 CO 0.00 0.21 0.00 0.00 0.41 0.00 0.00 173.24 173.86 1pfm n ALA 5 N 2.79 0.00 -2.79 1.44 0.00 -1.26 -5.06 120.51 115.63 1pfm n ALA 5 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.91 1pfm n ALA 5 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.98 1pfm n ALA 5 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pfm n LYS 6 N -0.06 4.66 0.00 0.00 3.00 -1.26 -4.82 118.16 119.67 1pfm n LYS 6 Ca 0.00 -4.71 0.00 0.00 -0.00 0.00 0.00 58.31 53.60 1pfm n LYS 6 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 35.03 32.62 1pfm n LYS 6 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1pfm n GLU 7 N 0.09 0.00 -0.92 1.64 0.00 -1.26 -4.88 120.64 115.30 1pfm n GLU 7 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.56 1pfm n GLU 7 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.75 1pfm n GLU 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1pfm n LEU 8 N 0.00 -1.27 0.00 4.31 7.99 -1.26 -5.06 117.00 121.70 1pfm n LEU 8 Ca 0.00 1.72 0.00 0.00 -0.01 0.00 0.00 56.01 57.72 1pfm n LEU 8 Cb 0.00 -1.39 0.00 0.00 -0.11 0.00 0.00 43.42 41.92 1pfm n LEU 8 CO 0.00 -0.18 0.00 -1.14 -1.51 0.00 0.00 177.39 174.56 1pfm n ARG 9 N -1.67 0.00 -3.02 3.23 0.63 -0.86 -4.97 116.66 110.01 1pfm n ARG 9 Ca 0.00 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.53 1pfm n ARG 9 Cb 0.17 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.03 1pfm n ARG 9 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pfm h GLN 11 N 6.79 0.00 -2.29 0.00 4.20 -2.01 -3.26 115.11 118.54 1pfm h GLN 11 Ca -0.40 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 57.67 1pfm h GLN 11 Cb 1.20 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.58 1pfm h GLN 11 CO 0.76 0.00 -0.33 0.00 -0.67 0.00 0.00 178.83 178.59 1pfm s VAL 13 N -3.91 1.77 0.00 0.00 0.11 -1.23 -4.75 120.40 112.39 1pfm s VAL 13 Ca 0.45 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 1pfm s VAL 13 Cb 0.23 -2.37 0.00 0.00 -1.53 0.00 0.00 36.38 32.71 1pfm s VAL 13 CO -0.09 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 172.85 1pfm n LYS 14 N -4.70 0.00 -3.84 1.54 3.00 -1.26 -4.70 118.16 108.20 1pfm n LYS 14 Ca 0.08 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.22 1pfm n LYS 14 Cb 0.58 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.44 1pfm n LYS 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1pfm s THR 15 N 0.00 0.07 -0.94 3.15 2.01 -1.26 -4.89 115.64 113.78 1pfm s THR 15 Ca 0.00 0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.13 1pfm s THR 15 Cb 0.00 -0.21 0.13 0.00 0.01 0.00 0.00 72.50 72.43 1pfm s THR 15 CO 0.00 0.14 2.47 0.41 -0.69 0.00 0.00 174.62 176.95 1pfm n THR 16 N 4.35 4.51 1.47 -0.82 -1.04 -0.14 -4.62 114.28 118.00 1pfm n THR 16 Ca -0.23 -3.96 0.12 0.00 -2.04 0.00 0.00 64.05 57.94 1pfm n THR 16 Cb 0.50 -1.80 0.71 0.00 -1.82 0.00 0.00 70.33 67.92 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 1.13 0.00 0.19 8.00 7.64 -1.25 -3.59 113.62 125.74 1pfm n SER 17 Ca 0.56 -0.60 0.18 0.00 1.01 0.00 0.00 58.87 60.02 1pfm n SER 17 Cb 0.36 -0.07 0.77 0.00 -1.01 0.00 0.00 64.21 64.26 1pfm n SER 17 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1pfm h GLN 18 N 0.00 0.00 -7.10 1.43 4.15 -1.92 -3.40 115.11 108.28 1pfm h GLN 18 Ca 0.00 0.00 -0.46 0.00 0.77 0.00 0.00 58.65 58.96 1pfm h GLN 18 Cb 0.06 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 1pfm h GLN 18 CO 0.00 0.00 0.34 0.08 -1.93 0.00 0.00 178.83 177.32 1pfm s VAL 19 N -4.41 4.47 0.16 2.39 1.01 -1.24 -5.07 120.40 117.72 1pfm s VAL 19 Ca -0.04 1.33 0.07 0.00 0.00 0.00 0.00 61.98 63.34 1pfm s VAL 19 Cb 0.13 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1pfm s VAL 19 CO 0.44 -0.48 -0.03 -0.13 0.00 0.00 0.00 175.10 174.90 1pfm s ARG 20 N -3.57 2.32 -0.45 2.72 0.52 -1.26 -5.07 118.95 114.16 1pfm s ARG 20 Ca 0.60 -1.10 -0.29 0.00 -0.52 0.00 0.00 55.73 54.42 1pfm s ARG 20 Cb -0.09 -2.33 0.03 0.00 0.52 0.00 0.00 34.95 33.07 1pfm s ARG 20 CO 0.21 0.47 1.17 -1.25 0.02 0.00 0.00 175.30 175.92 1pfm s PRO 21 N -2.77 3.75 0.04 3.54 0.04 -1.26 -4.56 135.00 133.78 1pfm s PRO 21 Ca 0.26 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1pfm s PRO 21 Cb -0.10 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1pfm s PRO 21 CO 0.17 -1.34 0.00 0.54 0.04 0.00 0.00 177.00 176.41 1pfm n ARG 22 N 7.74 0.00 -1.05 4.56 1.74 -1.26 -4.94 116.66 123.45 1pfm n ARG 22 Ca 0.13 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.98 1pfm n ARG 22 Cb 0.49 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 32.04 1pfm n ARG 22 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1pfm n HIS 23 N -2.20 2.51 -1.24 -1.55 8.25 -1.26 -4.96 115.22 114.77 1pfm n HIS 23 Ca 0.00 -1.99 -0.29 0.00 -0.26 0.00 0.00 57.72 55.18 1pfm n HIS 23 Cb 0.00 -0.99 0.17 0.00 1.12 0.00 0.00 29.99 30.29 1pfm n HIS 23 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1pfm s ILE 24 N -3.11 2.04 0.00 1.59 1.10 -1.26 0.37 121.20 121.93 1pfm s ILE 24 Ca 0.48 0.01 0.00 0.00 -0.51 0.00 0.00 60.65 60.63 1pfm s ILE 24 Cb 0.39 -2.56 0.00 0.00 0.15 0.00 0.00 42.46 40.45 1pfm s ILE 24 CO 0.05 -0.02 0.00 1.07 -2.11 0.00 0.00 174.94 173.93 1pfm n THR 25 N -4.11 0.00 -3.62 4.00 5.66 -0.81 -4.37 114.28 111.04 1pfm n THR 25 Ca 0.05 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.98 1pfm n THR 25 Cb 0.58 -0.48 -0.02 0.00 -1.55 0.00 0.00 70.33 68.86 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 -4.07 -0.32 0.00 1.09 1.04 -1.19 -5.04 113.70 105.21 1pfm s SER 26 Ca 0.00 -0.20 -0.09 0.00 0.48 0.00 0.00 55.95 56.14 1pfm s SER 26 Cb 0.00 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.61 1pfm s SER 26 CO 0.00 -0.84 0.18 -0.22 0.98 0.00 0.00 173.24 173.33 1pfm s LEU 27 N -2.73 1.40 0.46 2.42 0.20 -1.26 0.41 118.68 119.59 1pfm s LEU 27 Ca 0.08 -0.17 0.00 0.00 0.69 0.00 0.00 54.13 54.73 1pfm s LEU 27 Cb -0.02 0.81 -0.00 0.00 -0.43 0.00 0.00 46.19 46.56 1pfm s LEU 27 CO -0.04 -0.40 0.69 -1.61 -0.29 0.00 0.00 176.35 174.70 1pfm s GLU 28 N -1.47 3.03 -0.35 1.98 2.02 -0.23 -4.94 118.70 118.75 1pfm s GLU 28 Ca -0.14 -0.48 0.03 0.00 0.02 0.00 0.00 54.97 54.40 1pfm s GLU 28 Cb -0.07 -2.54 0.15 0.00 0.10 0.00 0.00 34.13 31.78 1pfm s GLU 28 CO 0.02 -0.31 0.38 0.08 0.02 0.00 0.00 175.26 175.44 1pfm s VAL 29 N -2.59 -0.41 0.02 2.63 1.01 -1.26 -3.09 120.40 116.71 1pfm s VAL 29 Ca 0.49 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1pfm s VAL 29 Cb -0.10 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1pfm s VAL 29 CO 0.38 -0.50 0.00 -0.63 0.00 0.00 0.00 175.10 174.35 1pfm s ILE 30 N 1.76 4.12 0.00 2.22 1.09 -0.42 -5.03 121.20 124.94 1pfm s ILE 30 Ca 0.15 -0.71 0.00 0.00 -1.10 0.00 0.00 60.65 58.99 1pfm s ILE 30 Cb -0.14 -2.87 0.00 0.00 -1.06 0.00 0.00 42.46 38.39 1pfm s ILE 30 CO -0.12 0.31 0.00 1.17 -0.10 0.00 0.00 174.94 176.19 1pfm n LYS 31 N 1.17 0.07 -2.46 2.79 4.81 -1.26 -1.76 118.16 121.51 1pfm n LYS 31 Ca -0.13 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.90 1pfm n LYS 31 Cb 0.52 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.54 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 2.64 1.00 3.14 0.00 -1.24 -3.54 121.76 119.84 1pfm s ALA 32 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1pfm s ALA 32 Cb 0.00 -4.30 0.00 0.00 0.00 0.00 0.00 23.12 18.82 1pfm s ALA 32 CO 0.00 -3.44 0.00 0.41 0.00 0.00 0.00 175.76 172.73 1pfm n GLY 33 N 5.59 -2.05 0.09 0.00 0.00 0.47 -4.63 105.19 104.66 1pfm n GLY 33 Ca 0.09 -1.43 -0.03 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.11 0.00 1.61 0.13 -1.97 -2.94 132.00 128.72 1pfm h PRO 34 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1pfm h PRO 34 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1pfm h PRO 34 CO 0.00 -0.01 0.00 1.12 -0.23 0.00 0.00 178.00 178.88 1pfm h HIS 35 N -1.02 0.00 -2.77 1.56 2.07 -1.93 -3.27 115.15 109.79 1pfm h HIS 35 Ca -0.01 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.91 1pfm h HIS 35 Cb 0.15 0.00 -0.40 0.00 2.57 0.00 0.00 27.41 29.74 1pfm h HIS 35 CO 0.02 0.00 -0.79 0.00 -3.07 0.00 0.00 177.93 174.09 1pfm h PRO 37 N 6.13 0.00 -6.66 0.00 0.13 -1.57 1.36 132.00 131.39 1pfm h PRO 37 Ca 0.12 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.77 1pfm h PRO 37 Cb 0.89 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.04 1pfm h PRO 37 CO 0.47 0.00 -0.09 -0.08 -0.23 0.00 0.00 178.00 178.08 1pfm s THR 38 N -3.42 5.04 0.25 1.56 -1.32 -1.26 -4.64 115.64 111.85 1pfm s THR 38 Ca 0.03 -0.24 -0.30 0.00 -1.21 0.00 0.00 61.69 59.97 1pfm s THR 38 Cb 0.09 -3.86 -0.11 0.00 -1.51 0.00 0.00 72.50 67.11 1pfm s THR 38 CO 0.42 -0.66 1.55 0.00 -2.21 0.00 0.00 174.62 173.72 1pfm s ALA 39 N -2.46 3.74 -0.14 11.08 0.00 -1.26 -3.67 121.76 129.05 1pfm s ALA 39 Ca 0.42 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1pfm s ALA 39 Cb -0.10 -3.62 -0.01 0.00 0.00 0.00 0.00 23.12 19.39 1pfm s ALA 39 CO 0.39 -0.86 -0.14 -1.14 0.00 0.00 0.00 175.76 174.00 1pfm s GLN 40 N 0.03 3.30 -0.07 0.00 0.74 -0.72 -4.77 119.66 118.16 1pfm s GLN 40 Ca 0.65 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 55.36 1pfm s GLN 40 Cb -0.45 -2.62 0.01 0.00 1.10 0.00 0.00 33.01 31.05 1pfm s GLN 40 CO 0.42 0.12 -0.17 -1.17 -0.55 0.00 0.00 175.29 173.94 1pfm s LEU 41 N 0.56 1.83 0.40 3.68 2.96 -1.26 -1.29 118.68 125.57 1pfm s LEU 41 Ca -0.09 -0.39 0.07 0.00 -0.22 0.00 0.00 54.13 53.50 1pfm s LEU 41 Cb -0.16 -1.04 -0.08 0.00 0.50 0.00 0.00 46.19 45.42 1pfm s LEU 41 CO 0.04 0.09 0.01 -0.63 -1.32 0.00 0.00 176.35 174.54 1pfm s ILE 42 N 0.45 2.03 0.35 6.68 -1.09 -1.18 -2.38 121.20 126.07 1pfm s ILE 42 Ca -0.14 -2.01 0.01 0.00 -2.23 0.00 0.00 60.65 56.28 1pfm s ILE 42 Cb -0.16 -2.97 -0.00 0.00 -1.58 0.00 0.00 42.46 37.75 1pfm s ILE 42 CO 0.05 -0.02 0.44 0.00 -1.23 0.00 0.00 174.94 174.19 1pfm n ALA 43 N -0.96 -0.05 -3.04 9.38 0.00 -0.71 -1.07 120.51 124.06 1pfm n ALA 43 Ca -0.05 -1.76 -0.12 0.00 0.00 0.00 0.00 53.44 51.51 1pfm n ALA 43 Cb 0.67 1.42 -0.12 0.00 0.00 0.00 0.00 19.45 21.41 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 -2.98 0.01 0.14 0.00 2.01 0.17 -3.03 115.64 111.96 1pfm s THR 44 Ca 0.33 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1pfm s THR 44 Cb -0.00 -0.24 0.02 0.00 0.01 0.00 0.00 72.50 72.29 1pfm s THR 44 CO 0.23 -0.06 0.18 0.18 -0.69 0.00 0.00 174.62 174.47 1pfm n LEU 45 N 2.78 0.00 -0.06 4.42 4.77 -1.13 -1.93 117.00 125.85 1pfm n LEU 45 Ca -0.14 -0.64 -0.14 0.00 -0.03 0.00 0.00 56.01 55.06 1pfm n LEU 45 Cb 0.58 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1pfm n LEU 45 CO 0.21 -0.51 0.53 0.11 -1.33 0.00 0.00 177.39 176.41 1pfm h LYS 46 N 0.00 0.47 -6.32 3.23 1.79 -0.29 -3.31 116.57 112.14 1pfm h LYS 46 Ca -0.07 -0.28 -0.54 0.00 -2.18 0.00 0.00 60.65 57.57 1pfm h LYS 46 Cb 0.31 0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.91 1pfm h LYS 46 CO 0.10 0.88 1.10 -0.80 -1.08 0.00 0.00 179.45 179.65 1pfm s ASN 47 N -6.36 6.14 0.00 0.86 -0.87 -1.26 -4.78 114.94 108.67 1pfm s ASN 47 Ca -0.13 -0.49 0.00 0.00 -1.57 0.00 0.00 52.86 50.67 1pfm s ASN 47 Cb 0.06 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.73 1pfm s ASN 47 CO 0.79 -1.84 0.59 0.61 -2.57 0.00 0.00 177.10 174.68 1pfm n GLY 48 N 5.50 0.00 1.35 0.66 0.00 -1.25 -4.76 105.19 106.69 1pfm n GLY 48 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1pfm n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pfm n ARG 49 N 2.75 1.28 -3.66 1.61 1.74 -1.26 -4.93 116.66 114.20 1pfm n ARG 49 Ca 0.00 -1.38 -0.06 0.00 -0.77 0.00 0.00 57.85 55.65 1pfm n ARG 49 Cb 0.30 0.49 -0.07 0.00 -1.02 0.00 0.00 32.46 32.16 1pfm n ARG 49 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1pfm s LYS 50 N -2.66 0.54 0.00 5.56 3.01 -1.26 -2.85 119.74 122.07 1pfm s LYS 50 Ca 0.03 1.21 0.00 0.00 -1.01 0.00 0.00 55.97 56.20 1pfm s LYS 50 Cb 0.00 0.42 0.00 0.00 -1.01 0.00 0.00 37.83 37.24 1pfm s LYS 50 CO 0.02 -0.19 0.00 0.44 0.51 0.00 0.00 175.35 176.13 1pfm n ILE 51 N 4.94 0.00 -3.60 2.17 -6.64 -1.17 -4.91 119.36 110.15 1pfm n ILE 51 Ca -0.15 0.00 -0.13 0.00 -1.77 0.00 0.00 62.75 60.70 1pfm n ILE 51 Cb 0.53 -0.02 -0.07 0.00 -1.44 0.00 0.00 39.64 38.64 1pfm n ILE 51 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1pfm s LEU 53 N -0.15 2.40 0.96 0.00 1.43 -1.00 -0.96 118.68 121.36 1pfm s LEU 53 Ca -0.02 -1.57 -0.16 0.00 -1.03 0.00 0.00 54.13 51.36 1pfm s LEU 53 Cb -0.03 -0.69 0.19 0.00 0.03 0.00 0.00 46.19 45.69 1pfm s LEU 53 CO 0.01 -0.75 1.31 1.51 0.23 0.00 0.00 176.35 178.66 1pfm s ASP 54 N -3.79 3.15 0.00 2.29 1.47 -1.26 -4.12 116.67 114.41 1pfm s ASP 54 Ca 0.17 0.32 0.00 0.00 1.18 0.00 0.00 52.55 54.21 1pfm s ASP 54 Cb 0.04 -0.40 0.00 0.00 -0.34 0.00 0.00 42.92 42.22 1pfm s ASP 54 CO 0.09 -2.72 0.11 -0.11 0.68 0.00 0.00 175.17 173.22 1pfm n LEU 55 N -3.77 0.23 -2.74 2.11 0.00 -1.26 -4.76 117.00 106.81 1pfm n LEU 55 Ca 0.15 -0.52 -0.33 0.00 0.00 0.00 0.00 56.01 55.30 1pfm n LEU 55 Cb 0.60 0.00 0.01 0.00 0.00 0.00 0.00 43.42 44.03 1pfm n LEU 55 CO 0.47 0.06 0.79 1.67 0.00 0.00 0.00 177.39 180.37 1pfm n GLN 56 N -0.59 3.25 -3.50 1.96 -0.06 -1.26 -4.99 117.38 112.19 1pfm n GLN 56 Ca 0.00 -4.15 -0.13 0.00 -2.00 0.00 0.00 57.00 50.72 1pfm n GLN 56 Cb 0.01 -2.27 -0.04 0.00 -4.06 0.00 0.00 30.24 23.89 1pfm n GLN 56 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1pfm s ALA 57 N -3.79 -1.50 -1.91 1.69 0.00 -1.26 -5.02 121.76 109.98 1pfm s ALA 57 Ca 0.49 0.62 0.30 0.00 0.00 0.00 0.00 51.96 53.38 1pfm s ALA 57 Cb 0.40 0.57 1.77 0.00 0.00 0.00 0.00 23.12 25.86 1pfm s ALA 57 CO -0.28 -0.61 2.13 -0.35 0.00 0.00 0.00 175.76 176.66 1pfm n PRO 58 N 0.08 0.87 0.07 0.00 -0.04 -1.26 -3.90 135.00 130.82 1pfm n PRO 58 Ca -0.18 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.17 1pfm n PRO 58 Cb 0.62 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.27 -1.22 1.53 5.85 -1.96 -0.30 115.31 118.94 1pfm h LEU 59 Ca 0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1pfm h LEU 59 Cb 0.04 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1pfm h LEU 59 CO 0.00 -0.14 -0.00 0.10 -0.34 0.00 0.00 178.44 178.05 1pfm h TYR 60 N -0.18 0.00 0.00 1.25 -0.00 -1.88 -2.11 116.97 114.04 1pfm h TYR 60 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.71 1pfm h TYR 60 Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.93 1pfm h TYR 60 CO -0.14 0.00 -0.21 -0.22 -0.00 0.00 0.00 178.16 177.60 1pfm h LYS 61 N 0.00 0.00 0.00 0.10 3.64 -1.27 0.24 116.57 119.29 1pfm h LYS 61 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pfm h LYS 61 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1pfm h LYS 61 CO 0.00 0.21 -0.38 0.87 -2.27 0.00 0.00 179.45 177.88 1pfm h LYS 62 N 0.00 0.00 0.01 1.90 1.79 -0.60 -1.65 116.57 118.02 1pfm h LYS 62 Ca -0.00 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.24 1pfm h LYS 62 Cb 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1pfm h LYS 62 CO 0.03 0.00 -0.96 0.82 -1.08 0.00 0.00 179.45 178.26 1pfm h ILE 63 N 0.00 1.42 0.13 1.86 2.04 -0.85 -0.81 117.51 121.30 1pfm h ILE 63 Ca 0.00 -2.52 -0.20 0.00 1.00 0.00 0.00 64.86 63.13 1pfm h ILE 63 Cb 0.99 2.47 0.01 0.00 -0.74 0.00 0.00 36.82 39.55 1pfm h ILE 63 CO 0.00 0.75 -0.95 0.40 0.00 0.00 0.00 178.15 178.35 1pfm h ILE 64 N 0.20 1.39 -0.44 -0.67 2.04 -1.22 -2.35 117.51 116.45 1pfm h ILE 64 Ca -0.08 -2.49 0.02 0.00 1.00 0.00 0.00 64.86 63.31 1pfm h ILE 64 Cb 1.60 3.06 -0.02 0.00 -0.74 0.00 0.00 36.82 40.72 1pfm h ILE 64 CO 0.16 0.70 0.29 0.07 0.00 0.00 0.00 178.15 179.38 1pfm h LYS 65 N -0.39 0.52 -0.04 2.37 2.10 -1.37 -0.08 116.57 119.68 1pfm h LYS 65 Ca -0.18 -0.03 -0.16 0.00 -2.00 0.00 0.00 60.65 58.27 1pfm h LYS 65 Cb 1.64 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.84 1pfm h LYS 65 CO 0.11 0.34 -0.70 0.87 -2.00 0.00 0.00 179.45 178.08 1pfm h LYS 66 N 0.53 0.20 0.00 0.07 1.57 -1.16 -1.80 116.57 115.98 1pfm h LYS 66 Ca 0.17 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1pfm h LYS 66 Cb 0.04 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1pfm h LYS 66 CO -0.04 0.82 0.00 -0.07 -0.57 0.00 0.00 179.45 179.59 1pfm h LEU 67 N 0.13 0.00 0.15 2.94 3.38 -0.52 -3.24 115.31 118.16 1pfm h LEU 67 Ca -0.02 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.60 1pfm h LEU 67 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1pfm h LEU 67 CO 0.11 0.00 -1.81 -0.07 0.09 0.00 0.00 178.44 176.76 1pfm h LEU 68 N 0.00 0.50 -1.93 1.67 3.38 -0.88 -3.31 115.31 114.74 1pfm h LEU 68 Ca 0.00 -0.85 0.13 0.00 0.09 0.00 0.00 57.88 57.26 1pfm h LEU 68 Cb 0.83 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1pfm h LEU 68 CO 0.00 1.73 0.49 1.05 0.09 0.00 0.00 178.44 181.81 1pfm h GLU 69 N 0.09 0.00 -0.02 1.13 -0.00 -1.35 -3.51 114.58 110.91 1pfm h GLU 69 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.00 1pfm h GLU 69 Cb 2.07 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.82 1pfm h GLU 69 CO 0.14 0.00 0.00 -1.13 -0.00 0.00 0.00 179.01 178.02