#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 4.85 0.52 7.83 0.01 -1.26 -5.12 113.70 120.53 1pfm s SER 4 Ca 0.00 -0.02 0.08 0.00 1.31 0.00 0.00 55.95 57.31 1pfm s SER 4 Cb 0.00 -1.48 0.08 0.00 0.21 0.00 0.00 66.02 64.82 1pfm s SER 4 CO 0.00 0.29 0.64 0.00 0.41 0.00 0.00 173.24 174.59 1pfm n ALA 5 N 2.72 1.04 0.00 1.44 0.00 -1.26 -5.00 120.51 119.44 1pfm n ALA 5 Ca -0.18 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.33 1pfm n ALA 5 Cb 0.53 0.59 0.00 0.00 0.00 0.00 0.00 19.45 20.57 1pfm n ALA 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pfm n LYS 6 N -2.04 0.00 -2.68 0.00 5.02 -1.26 -4.99 118.16 112.22 1pfm n LYS 6 Ca 0.11 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.99 1pfm n LYS 6 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.51 1pfm n LYS 6 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1pfm s GLU 7 N 0.00 4.72 0.00 1.97 2.12 -1.26 -4.70 118.70 121.55 1pfm s GLU 7 Ca 0.00 1.54 0.00 0.00 0.36 0.00 0.00 54.97 56.87 1pfm s GLU 7 Cb 0.00 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 31.07 1pfm s GLU 7 CO 0.00 0.27 0.00 -0.11 -0.54 0.00 0.00 175.26 174.88 1pfm n LEU 8 N 2.24 0.00 -2.66 2.70 0.00 -1.26 -5.04 117.00 112.97 1pfm n LEU 8 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 55.99 1pfm n LEU 8 Cb 0.48 0.04 0.07 0.00 0.00 0.00 0.00 43.42 44.01 1pfm n LEU 8 CO 0.51 -0.04 0.71 -1.14 0.00 0.00 0.00 177.39 177.43 1pfm n ARG 9 N -1.28 0.15 -2.62 1.96 0.63 -0.56 -5.02 116.66 109.92 1pfm n ARG 9 Ca 0.00 -0.69 -0.43 0.00 -0.92 0.00 0.00 57.85 55.81 1pfm n ARG 9 Cb 0.00 -0.10 -0.02 0.00 0.45 0.00 0.00 32.46 32.79 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 7.62 0.00 -1.51 0.00 5.75 -2.00 -3.29 115.11 121.68 1pfm h GLN 11 Ca -0.20 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.03 1pfm h GLN 11 Cb 1.07 0.00 -0.25 0.00 1.07 0.00 0.00 27.48 29.37 1pfm h GLN 11 CO 0.98 0.00 -0.62 0.00 -2.65 0.00 0.00 178.83 176.55 1pfm h VAL 13 N 4.95 0.95 -0.40 0.00 2.07 -1.97 -3.45 116.25 118.40 1pfm h VAL 13 Ca 0.08 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1pfm h VAL 13 Cb 1.08 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1pfm h VAL 13 CO 0.15 0.19 0.00 1.17 0.02 0.00 0.00 177.57 179.09 1pfm n LYS 14 N -5.00 2.26 -4.54 1.57 4.81 -1.26 -5.07 118.16 110.93 1pfm n LYS 14 Ca -0.09 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.12 1pfm n LYS 14 Cb 0.25 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.14 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 0.03 1.06 -1.11 3.15 2.01 -1.26 -4.88 115.64 114.63 1pfm s THR 15 Ca 0.00 -0.45 -0.05 0.00 0.31 0.00 0.00 61.69 61.51 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 0.33 2.39 0.41 -0.69 0.00 0.00 174.62 177.07 1pfm n THR 16 N 3.74 4.93 1.25 -0.82 -1.04 -0.15 -4.62 114.28 117.57 1pfm n THR 16 Ca -0.22 -4.24 0.12 0.00 -2.04 0.00 0.00 64.05 57.66 1pfm n THR 16 Cb 0.52 -1.90 0.64 0.00 -1.82 0.00 0.00 70.33 67.77 1pfm n THR 16 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1pfm n SER 17 N 1.31 0.00 0.20 8.00 3.41 -1.25 -3.46 113.62 121.82 1pfm n SER 17 Ca 0.58 -0.23 0.18 0.00 -0.26 0.00 0.00 58.87 59.14 1pfm n SER 17 Cb 0.31 -0.22 0.78 0.00 -0.26 0.00 0.00 64.21 64.82 1pfm n SER 17 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1pfm h GLN 18 N 0.00 0.00 -7.12 4.33 4.20 -1.91 -3.40 115.11 111.21 1pfm h GLN 18 Ca 0.00 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.23 1pfm h GLN 18 Cb 0.17 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.97 1pfm h GLN 18 CO 0.00 0.00 0.32 0.08 -0.67 0.00 0.00 178.83 178.56 1pfm s VAL 19 N -4.42 4.59 -0.18 -0.54 1.01 -1.22 -5.05 120.40 114.58 1pfm s VAL 19 Ca -0.04 1.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.96 1pfm s VAL 19 Cb 0.13 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1pfm s VAL 19 CO 0.44 -0.65 0.07 -0.13 0.00 0.00 0.00 175.10 174.83 1pfm s ARG 20 N -4.02 3.97 -0.22 2.72 3.00 -1.26 -5.06 118.95 118.07 1pfm s ARG 20 Ca 0.57 -0.32 -0.29 0.00 0.00 0.00 0.00 55.73 55.69 1pfm s ARG 20 Cb -0.10 -3.23 0.01 0.00 0.00 0.00 0.00 34.95 31.63 1pfm s ARG 20 CO 0.31 0.30 1.06 -1.25 0.00 0.00 0.00 175.30 175.72 1pfm s PRO 21 N 0.29 4.26 0.02 3.54 0.04 -1.26 -4.56 135.00 137.34 1pfm s PRO 21 Ca 0.04 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1pfm s PRO 21 Cb -0.12 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1pfm s PRO 21 CO -0.00 -0.63 0.00 -2.13 0.04 0.00 0.00 177.00 174.28 1pfm n ARG 22 N 6.32 0.00 -1.02 4.56 0.63 -1.26 -4.93 116.66 120.96 1pfm n ARG 22 Ca 0.12 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 57.01 1pfm n ARG 22 Cb 0.46 0.00 0.33 0.00 0.45 0.00 0.00 32.46 33.70 1pfm n ARG 22 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1pfm n HIS 23 N -2.53 2.44 -0.62 -0.14 -0.00 -1.26 -4.99 115.22 108.12 1pfm n HIS 23 Ca 0.00 -1.13 -0.31 0.00 -0.00 0.00 0.00 57.72 56.28 1pfm n HIS 23 Cb 0.00 -0.67 0.19 0.00 -0.00 0.00 0.00 29.99 29.51 1pfm n HIS 23 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 1pfm n ILE 24 N -0.02 0.00 0.00 1.59 0.13 -1.26 -2.41 119.36 117.39 1pfm n ILE 24 Ca 0.39 -0.32 0.00 0.00 -1.10 0.00 0.00 62.75 61.72 1pfm n ILE 24 Cb 1.37 -0.68 0.00 0.00 -0.84 0.00 0.00 39.64 39.50 1pfm n ILE 24 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 1pfm n THR 25 N -4.60 0.00 -3.52 9.51 5.66 -0.83 -4.46 114.28 116.05 1pfm n THR 25 Ca 0.01 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.92 1pfm n THR 25 Cb 0.60 -0.56 -0.02 0.00 -1.55 0.00 0.00 70.33 68.80 1pfm n THR 25 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1pfm s SER 26 N -4.16 -0.41 -0.07 1.09 0.01 -1.17 -5.04 113.70 103.95 1pfm s SER 26 Ca 0.00 -0.07 -0.15 0.00 1.31 0.00 0.00 55.95 57.04 1pfm s SER 26 Cb 0.00 0.48 0.03 0.00 0.21 0.00 0.00 66.02 66.74 1pfm s SER 26 CO 0.00 -0.79 0.36 -0.22 0.41 0.00 0.00 173.24 173.00 1pfm s LEU 27 N -2.63 0.62 0.39 2.44 0.20 -1.26 0.58 118.68 119.01 1pfm s LEU 27 Ca 0.05 0.43 -0.00 0.00 0.69 0.00 0.00 54.13 55.29 1pfm s LEU 27 Cb -0.01 1.36 -0.03 0.00 -0.43 0.00 0.00 46.19 47.08 1pfm s LEU 27 CO -0.08 -0.31 0.61 -1.61 -0.29 0.00 0.00 176.35 174.66 1pfm s GLU 28 N -0.63 3.41 -0.30 1.98 2.02 0.39 -4.94 118.70 120.64 1pfm s GLU 28 Ca -0.07 -0.29 -0.00 0.00 0.02 0.00 0.00 54.97 54.63 1pfm s GLU 28 Cb -0.04 -2.60 0.13 0.00 0.10 0.00 0.00 34.13 31.73 1pfm s GLU 28 CO 0.03 0.02 0.28 0.08 0.02 0.00 0.00 175.26 175.69 1pfm s VAL 29 N -2.43 -0.36 -0.06 2.63 1.01 -1.26 -2.43 120.40 117.50 1pfm s VAL 29 Ca 0.43 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 1pfm s VAL 29 Cb -0.10 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1pfm s VAL 29 CO 0.38 -0.51 0.02 -0.51 0.00 0.00 0.00 175.10 174.47 1pfm s ILE 30 N 2.24 4.40 0.12 2.22 -1.16 -0.28 -5.00 121.20 123.73 1pfm s ILE 30 Ca 0.10 -0.30 -0.02 0.00 -0.51 0.00 0.00 60.65 59.92 1pfm s ILE 30 Cb -0.14 -2.89 0.03 0.00 0.61 0.00 0.00 42.46 40.06 1pfm s ILE 30 CO -0.30 0.54 0.16 1.17 -2.81 0.00 0.00 174.94 173.70 1pfm n LYS 31 N 1.90 -0.18 -2.47 3.50 4.81 -1.26 -1.84 118.16 122.61 1pfm n LYS 31 Ca -0.17 -0.25 -0.38 0.00 -0.87 0.00 0.00 58.31 56.63 1pfm n LYS 31 Cb 0.53 -0.17 -0.03 0.00 0.02 0.00 0.00 35.03 35.38 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 -3.98 2.52 1.00 3.14 0.00 -1.24 -4.13 121.76 119.09 1pfm s ALA 32 Ca 0.09 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 49.95 1pfm s ALA 32 Cb -0.00 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.59 1pfm s ALA 32 CO 0.06 -3.82 0.00 0.41 0.00 0.00 0.00 175.76 172.41 1pfm n GLY 33 N 6.85 -0.16 0.00 0.00 0.00 0.46 -4.62 105.19 107.72 1pfm n GLY 33 Ca 0.34 -1.42 -0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 1.61 0.13 -1.97 -3.06 132.00 128.71 1pfm h PRO 34 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1pfm h PRO 34 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1pfm h PRO 34 CO 0.00 -0.00 0.00 1.12 -0.23 0.00 0.00 178.00 178.89 1pfm h HIS 35 N -0.01 0.00 -2.99 1.56 2.07 -1.95 -3.20 115.15 110.62 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 -0.41 0.00 2.57 0.00 0.00 27.41 29.57 1pfm h HIS 35 CO 0.02 0.00 -0.68 0.00 -3.07 0.00 0.00 177.93 174.19 1pfm h PRO 37 N 5.85 0.00 -6.74 0.00 0.13 -1.53 1.33 132.00 131.04 1pfm h PRO 37 Ca 0.10 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.77 1pfm h PRO 37 Cb 0.83 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.99 1pfm h PRO 37 CO 0.61 0.00 -0.06 -0.08 -0.23 0.00 0.00 178.00 178.24 1pfm s THR 38 N -3.34 4.19 -0.01 1.56 -1.32 -1.26 -4.61 115.64 110.85 1pfm s THR 38 Ca 0.05 -0.37 -0.30 0.00 -1.21 0.00 0.00 61.69 59.85 1pfm s THR 38 Cb 0.10 -3.56 -0.04 0.00 -1.51 0.00 0.00 72.50 67.48 1pfm s THR 38 CO 0.44 -0.43 1.24 0.00 -2.21 0.00 0.00 174.62 173.66 1pfm s ALA 39 N -2.59 3.48 0.06 11.08 0.00 -1.26 -3.61 121.76 128.91 1pfm s ALA 39 Ca 0.48 0.74 0.08 0.00 0.00 0.00 0.00 51.96 53.26 1pfm s ALA 39 Cb -0.10 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 1pfm s ALA 39 CO 0.39 -0.68 -0.21 -1.14 0.00 0.00 0.00 175.76 174.12 1pfm s GLN 40 N 1.87 1.88 -0.09 0.00 0.74 -0.77 -4.86 119.66 118.44 1pfm s GLN 40 Ca 0.58 -1.09 -0.04 0.00 0.05 0.00 0.00 55.36 54.86 1pfm s GLN 40 Cb -0.27 -2.09 0.04 0.00 1.10 0.00 0.00 33.01 31.79 1pfm s GLN 40 CO 0.25 0.51 0.21 -1.17 -0.55 0.00 0.00 175.29 174.54 1pfm s LEU 41 N -1.57 0.49 0.40 3.68 0.20 -1.26 -1.13 118.68 119.48 1pfm s LEU 41 Ca 0.14 0.44 0.08 0.00 0.69 0.00 0.00 54.13 55.48 1pfm s LEU 41 Cb -0.10 0.58 -0.05 0.00 -0.43 0.00 0.00 46.19 46.19 1pfm s LEU 41 CO 0.05 -0.16 0.17 -0.63 -0.29 0.00 0.00 176.35 175.48 1pfm s ILE 42 N 1.30 2.45 0.28 6.68 -1.09 -1.02 -2.44 121.20 127.36 1pfm s ILE 42 Ca -0.09 -1.71 0.03 0.00 -2.23 0.00 0.00 60.65 56.66 1pfm s ILE 42 Cb -0.11 -2.98 -0.01 0.00 -1.58 0.00 0.00 42.46 37.78 1pfm s ILE 42 CO -0.08 -0.05 0.30 0.00 -1.23 0.00 0.00 174.94 173.89 1pfm n ALA 43 N -1.21 0.22 -3.14 9.38 0.00 -0.96 -0.46 120.51 124.34 1pfm n ALA 43 Ca -0.01 -1.48 -0.13 0.00 0.00 0.00 0.00 53.44 51.82 1pfm n ALA 43 Cb 0.64 1.19 -0.11 0.00 0.00 0.00 0.00 19.45 21.17 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 -2.95 0.00 0.15 0.00 2.01 0.19 -3.07 115.64 111.98 1pfm s THR 44 Ca 0.29 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.27 1pfm s THR 44 Cb 0.01 -0.37 0.02 0.00 0.01 0.00 0.00 72.50 72.17 1pfm s THR 44 CO 0.20 -0.02 0.18 0.18 -0.69 0.00 0.00 174.62 174.48 1pfm n LEU 45 N 2.84 0.00 0.13 4.42 7.99 -1.12 -1.96 117.00 129.30 1pfm n LEU 45 Ca -0.13 -0.69 -0.02 0.00 -0.01 0.00 0.00 56.01 55.16 1pfm n LEU 45 Cb 0.58 -0.08 0.14 0.00 -0.11 0.00 0.00 43.42 43.95 1pfm n LEU 45 CO 0.18 -0.50 0.46 0.07 -1.51 0.00 0.00 177.39 176.10 1pfm h LYS 46 N 0.00 0.01 -4.98 3.23 2.10 -1.69 -3.31 116.57 111.93 1pfm h LYS 46 Ca -0.08 -0.01 -0.68 0.00 -2.00 0.00 0.00 60.65 57.88 1pfm h LYS 46 Cb 0.33 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 31.48 1pfm h LYS 46 CO 0.11 0.66 0.56 -0.80 -2.00 0.00 0.00 179.45 177.98 1pfm s ASN 47 N -6.84 6.43 -0.08 7.07 -0.87 -1.26 -4.87 114.94 114.52 1pfm s ASN 47 Ca -0.01 -1.69 -0.01 0.00 -1.57 0.00 0.00 52.86 49.58 1pfm s ASN 47 Cb 0.12 -2.37 -0.03 0.00 -0.02 0.00 0.00 41.25 38.96 1pfm s ASN 47 CO 0.77 -1.14 0.69 0.61 -2.57 0.00 0.00 177.10 175.46 1pfm n GLY 48 N 5.30 -0.04 3.15 0.66 0.00 -1.25 -4.75 105.19 108.25 1pfm n GLY 48 Ca 0.09 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 2.75 0.46 -3.69 1.61 1.85 -1.26 -4.96 116.66 113.41 1pfm n ARG 49 Ca 0.05 -3.26 -0.11 0.00 -1.00 0.00 0.00 57.85 53.53 1pfm n ARG 49 Cb 0.27 2.37 -0.11 0.00 -1.05 0.00 0.00 32.46 33.93 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 -3.38 0.31 0.00 2.89 3.01 -1.26 -2.79 119.74 118.53 1pfm s LYS 50 Ca 0.32 0.76 0.00 0.00 -1.01 0.00 0.00 55.97 56.05 1pfm s LYS 50 Cb 0.02 0.01 0.00 0.00 -1.01 0.00 0.00 37.83 36.84 1pfm s LYS 50 CO 0.23 -0.19 0.00 0.44 0.51 0.00 0.00 175.35 176.34 1pfm n ILE 51 N 4.55 0.00 -3.63 2.17 -6.64 -1.18 -4.88 119.36 109.75 1pfm n ILE 51 Ca -0.20 0.00 -0.04 0.00 -1.77 0.00 0.00 62.75 60.74 1pfm n ILE 51 Cb 0.53 0.00 -0.04 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 0.60 0.00 -4.96 0.00 4.77 -1.02 -0.97 117.00 115.41 1pfm n LEU 53 Ca -0.03 -1.06 -0.23 0.00 -0.03 0.00 0.00 56.01 54.67 1pfm n LEU 53 Cb 0.59 0.37 0.02 0.00 -2.33 0.00 0.00 43.42 42.07 1pfm n LEU 53 CO 0.09 -0.16 0.18 1.51 -1.33 0.00 0.00 177.39 177.67 1pfm s ASP 54 N -1.84 4.89 0.00 -1.43 1.47 -1.26 -4.17 116.67 114.32 1pfm s ASP 54 Ca 0.08 -1.01 0.00 0.00 1.18 0.00 0.00 52.55 52.79 1pfm s ASP 54 Cb 0.00 0.26 0.00 0.00 -0.34 0.00 0.00 42.92 42.84 1pfm s ASP 54 CO 0.05 -1.16 0.00 0.18 0.68 0.00 0.00 175.17 174.92 1pfm n LEU 55 N -1.96 0.00 -2.03 2.11 4.77 -1.26 -4.59 117.00 114.04 1pfm n LEU 55 Ca 0.06 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.82 1pfm n LEU 55 Cb 0.63 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.77 1pfm n LEU 55 CO 0.40 0.00 1.29 0.00 -1.33 0.00 0.00 177.39 177.74 1pfm n GLN 56 N -1.53 2.10 -3.79 3.23 6.02 -1.26 -4.88 117.38 117.27 1pfm n GLN 56 Ca 0.00 -2.16 -0.11 0.00 -0.01 0.00 0.00 57.00 54.72 1pfm n GLN 56 Cb 0.05 -1.85 -0.07 0.00 1.02 0.00 0.00 30.24 29.39 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 -2.51 -0.54 -1.94 -1.58 0.00 -1.26 -5.02 121.76 108.90 1pfm s ALA 57 Ca 0.43 -0.17 0.29 0.00 0.00 0.00 0.00 51.96 52.50 1pfm s ALA 57 Cb 0.34 0.36 1.70 0.00 0.00 0.00 0.00 23.12 25.52 1pfm s ALA 57 CO -0.00 -0.43 2.06 -0.35 0.00 0.00 0.00 175.76 177.03 1pfm n PRO 58 N 0.44 0.85 0.19 0.00 -0.04 -1.26 -3.86 135.00 131.33 1pfm n PRO 58 Ca -0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 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 -1.31 1.53 5.85 -1.95 -2.54 115.31 116.46 1pfm h LEU 59 Ca 0.00 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 1pfm h LEU 59 Cb 0.03 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1pfm h LEU 59 CO 0.00 -0.07 -0.10 0.10 -0.34 0.00 0.00 178.44 178.03 1pfm h TYR 60 N -0.84 0.00 0.00 1.25 -0.00 -1.81 -1.79 116.97 113.77 1pfm h TYR 60 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.67 1pfm h TYR 60 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.27 1pfm h TYR 60 CO 0.02 0.10 -0.02 -0.22 -0.00 0.00 0.00 178.16 178.04 1pfm h LYS 61 N 0.00 0.00 0.00 0.10 1.63 -1.62 0.79 116.57 117.47 1pfm h LYS 61 Ca -0.00 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.61 1pfm h LYS 61 Cb 0.61 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.21 1pfm h LYS 61 CO 0.01 0.02 -0.89 0.87 -3.45 0.00 0.00 179.45 176.01 1pfm h LYS 62 N 0.00 0.00 0.54 1.90 1.79 -0.90 -1.08 116.57 118.82 1pfm h LYS 62 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1pfm h LYS 62 Cb 0.31 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1pfm h LYS 62 CO 0.00 0.89 -0.26 0.82 -1.08 0.00 0.00 179.45 179.82 1pfm h ILE 63 N 0.00 0.01 -0.97 1.86 2.04 -0.89 -0.27 117.51 119.29 1pfm h ILE 63 Ca -0.01 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1pfm h ILE 63 Cb 1.63 0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 1pfm h ILE 63 CO 0.12 0.00 0.64 0.40 0.00 0.00 0.00 178.15 179.31 1pfm h ILE 64 N -1.19 1.24 -0.02 -0.67 2.04 -1.40 0.58 117.51 118.09 1pfm h ILE 64 Ca -0.07 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 1pfm h ILE 64 Cb 0.56 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1pfm h ILE 64 CO 0.12 0.24 -0.15 0.11 0.00 0.00 0.00 178.15 178.47 1pfm h LYS 65 N 1.31 0.03 0.00 2.37 1.79 -1.21 0.29 116.57 121.14 1pfm h LYS 65 Ca 0.36 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.72 1pfm h LYS 65 Cb -0.14 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.49 1pfm h LYS 65 CO -0.08 0.18 -0.50 0.87 -1.08 0.00 0.00 179.45 178.84 1pfm h LYS 66 N 0.03 0.00 0.00 3.15 1.79 0.94 -2.21 116.57 120.27 1pfm h LYS 66 Ca 0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 1pfm h LYS 66 Cb 0.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1pfm h LYS 66 CO 0.02 0.50 -0.40 -0.07 -1.08 0.00 0.00 179.45 178.43 1pfm h LEU 67 N 0.00 0.00 0.05 2.94 3.38 0.08 -3.27 115.31 118.50 1pfm h LEU 67 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1pfm h LEU 67 Cb 1.03 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.80 1pfm h LEU 67 CO 0.07 0.40 -0.87 -0.07 0.09 0.00 0.00 178.44 178.05 1pfm h LEU 68 N 0.00 0.68 -1.72 1.67 3.38 -0.79 -3.17 115.31 115.36 1pfm h LEU 68 Ca -0.00 -0.80 0.23 0.00 0.09 0.00 0.00 57.88 57.39 1pfm h LEU 68 Cb 1.27 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1pfm h LEU 68 CO 0.05 1.40 0.79 1.05 0.09 0.00 0.00 178.44 181.82 1pfm h GLU 69 N 0.03 0.00 0.00 1.13 -0.00 -1.45 -3.51 114.58 110.77 1pfm h GLU 69 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.24 1pfm h GLU 69 Cb 1.59 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.34 1pfm h GLU 69 CO 0.17 0.00 0.00 -1.13 -0.00 0.00 0.00 179.01 178.05