#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b64 n LEU 2 N 0.00 0.00 -3.60 4.03 4.32 -1.26 -4.63 117.00 115.86 1b64 n LEU 2 Ca 0.00 0.34 -0.29 0.00 -0.02 0.00 0.00 56.01 56.05 1b64 n LEU 2 Cb 0.00 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.65 1b64 n LEU 2 CO 0.00 0.00 -0.33 0.54 -1.22 0.00 0.00 177.39 176.38 1b64 s VAL 3 N -0.68 0.12 -1.10 4.08 0.11 -1.26 -4.91 120.40 116.77 1b64 s VAL 3 Ca 0.00 -0.74 -0.28 0.00 -2.93 0.00 0.00 61.98 58.02 1b64 s VAL 3 Cb 0.00 -1.02 0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1b64 s VAL 3 CO 0.00 -0.61 0.63 0.00 -3.33 0.00 0.00 175.10 171.80 1b64 n ALA 4 N 5.18 -2.57 -2.40 1.54 0.00 -1.26 -4.90 120.51 116.09 1b64 n ALA 4 Ca -0.06 -0.53 -0.20 0.00 0.00 0.00 0.00 53.44 52.65 1b64 n ALA 4 Cb 0.44 -2.13 -0.10 0.00 0.00 0.00 0.00 19.45 17.67 1b64 n ALA 4 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1b64 s LYS 5 N -6.96 1.64 0.22 0.00 -0.14 -1.26 -2.67 119.74 110.57 1b64 s LYS 5 Ca 0.39 -1.94 -0.17 0.00 -1.36 0.00 0.00 55.97 52.90 1b64 s LYS 5 Cb -0.22 -0.44 0.02 0.00 -1.68 0.00 0.00 37.83 35.51 1b64 s LYS 5 CO 0.92 -0.36 0.54 0.45 -0.76 0.00 0.00 175.35 176.14 1b64 s SER 6 N -3.44 -0.22 -0.09 2.83 0.15 0.13 -3.98 113.70 109.08 1b64 s SER 6 Ca 0.34 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.41 1b64 s SER 6 Cb 0.06 0.60 0.01 0.00 -1.71 0.00 0.00 66.02 64.98 1b64 s SER 6 CO 0.15 -1.12 -0.18 -0.55 1.20 0.00 0.00 173.24 172.74 1b64 s SER 7 N -2.91 2.53 -0.13 5.45 0.15 -0.88 -1.78 113.70 116.13 1b64 s SER 7 Ca 0.12 -0.45 -0.02 0.00 0.70 0.00 0.00 55.95 56.31 1b64 s SER 7 Cb -0.02 -1.15 0.04 0.00 -1.71 0.00 0.00 66.02 63.18 1b64 s SER 7 CO 0.01 0.08 -0.01 -0.63 1.20 0.00 0.00 173.24 173.90 1b64 s ILE 8 N 0.63 0.61 -0.14 6.45 1.01 -1.02 -3.28 121.20 125.46 1b64 s ILE 8 Ca -0.14 -0.25 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 1b64 s ILE 8 Cb -0.16 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1b64 s ILE 8 CO 0.04 0.11 0.37 -0.22 0.00 0.00 0.00 174.94 175.24 1b64 s LEU 9 N 1.86 4.27 0.23 2.97 2.96 -1.26 -2.81 118.68 126.89 1b64 s LEU 9 Ca 0.03 0.65 0.09 0.00 -0.22 0.00 0.00 54.13 54.68 1b64 s LEU 9 Cb -0.14 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 1b64 s LEU 9 CO -0.07 0.07 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.22 1b64 s LEU 10 N 0.45 3.07 -0.07 -0.68 1.02 -0.55 -2.15 118.68 119.77 1b64 s LEU 10 Ca 0.20 -0.63 -0.03 0.00 0.02 0.00 0.00 54.13 53.70 1b64 s LEU 10 Cb -0.14 -1.67 0.04 0.00 0.02 0.00 0.00 46.19 44.44 1b64 s LEU 10 CO 0.07 0.05 0.14 -0.62 0.02 0.00 0.00 176.35 176.01 1b64 s ASP 11 N -3.27 0.50 0.07 2.29 -1.08 -1.20 -2.04 116.67 111.94 1b64 s ASP 11 Ca 0.28 0.29 0.06 0.00 -0.52 0.00 0.00 52.55 52.67 1b64 s ASP 11 Cb -0.07 0.20 -0.03 0.00 -1.46 0.00 0.00 42.92 41.55 1b64 s ASP 11 CO 0.18 -0.21 -0.17 -0.69 0.52 0.00 0.00 175.17 174.79 1b64 s VAL 12 N 1.90 1.40 -0.15 1.11 1.01 -0.79 -0.96 120.40 123.93 1b64 s VAL 12 Ca -0.01 -1.33 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 1b64 s VAL 12 Cb -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1b64 s VAL 12 CO -0.05 -0.07 -0.03 -0.75 0.00 0.00 0.00 175.10 174.19 1b64 s LYS 13 N -1.63 3.58 0.45 2.72 2.20 -1.19 0.35 119.74 126.22 1b64 s LYS 13 Ca 0.03 -0.50 -0.22 0.00 -0.36 0.00 0.00 55.97 54.92 1b64 s LYS 13 Cb -0.09 -2.90 -0.09 0.00 -1.51 0.00 0.00 37.83 33.24 1b64 s LYS 13 CO 0.03 0.31 1.04 -1.25 -0.36 0.00 0.00 175.35 175.12 1b64 s PRO 14 N 0.19 3.96 0.41 4.03 0.04 -1.26 0.17 135.00 142.54 1b64 s PRO 14 Ca -0.01 1.43 0.13 0.00 0.04 0.00 0.00 61.00 62.59 1b64 s PRO 14 Cb -0.14 -2.29 0.98 0.00 0.04 0.00 0.00 34.50 33.09 1b64 s PRO 14 CO 0.03 -0.31 1.92 -1.49 0.04 0.00 0.00 177.00 177.19 1b64 h TRP 15 N 1.98 0.56 -1.96 0.56 -0.00 -1.16 -3.41 115.95 112.51 1b64 h TRP 15 Ca -0.49 0.02 0.41 0.00 -0.00 0.00 0.00 58.89 58.83 1b64 h TRP 15 Cb 1.22 -0.18 -0.08 0.00 -0.00 0.00 0.00 29.16 30.12 1b64 h TRP 15 CO 0.57 0.23 1.01 0.34 -0.00 0.00 0.00 178.44 180.59 1b64 s ASP 16 N -5.99 0.00 0.59 -3.49 -1.08 -1.26 -4.98 116.67 100.46 1b64 s ASP 16 Ca -0.08 -0.02 0.28 0.00 -0.52 0.00 0.00 52.55 52.21 1b64 s ASP 16 Cb 0.21 0.02 1.63 0.00 -1.46 0.00 0.00 42.92 43.31 1b64 s ASP 16 CO 0.77 -0.03 2.08 -2.24 0.52 0.00 0.00 175.17 176.26 1b64 h ASP 17 N 2.00 0.00 -0.84 -0.34 2.03 -1.89 0.13 116.42 117.51 1b64 h ASP 17 Ca -0.20 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 56.12 1b64 h ASP 17 Cb 1.17 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.63 1b64 h ASP 17 CO 0.29 0.00 0.55 1.05 -1.03 0.00 0.00 179.24 180.11 1b64 h GLU 18 N 0.00 1.06 -5.54 4.15 4.11 -1.93 -3.41 114.58 113.02 1b64 h GLU 18 Ca 0.10 -0.06 -0.52 0.00 0.07 0.00 0.00 59.36 58.95 1b64 h GLU 18 Cb 0.56 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1b64 h GLU 18 CO -0.00 0.70 1.62 2.41 0.07 0.00 0.00 179.01 183.81 1b64 n THR 19 N -4.43 0.01 -1.52 -1.06 -1.04 0.44 -4.77 114.28 101.92 1b64 n THR 19 Ca 0.10 -0.46 -0.40 0.00 -2.04 0.00 0.00 64.05 61.25 1b64 n THR 19 Cb 0.07 -1.94 -0.07 0.00 -1.82 0.00 0.00 70.33 66.57 1b64 n THR 19 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1b64 n ASP 20 N 13.05 1.80 -0.00 8.00 -0.08 -1.26 -4.76 116.55 133.29 1b64 n ASP 20 Ca 0.45 -0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 1b64 n ASP 20 Cb 0.34 -1.36 0.31 0.00 2.34 0.00 0.00 41.12 42.75 1b64 n ASP 20 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1b64 h MET 21 N 16.18 0.53 -0.74 -0.67 2.86 -1.87 0.92 114.93 132.14 1b64 h MET 21 Ca -0.20 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1b64 h MET 21 Cb 1.29 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.83 1b64 h MET 21 CO 1.19 0.53 0.49 0.00 1.06 0.00 0.00 176.91 180.18 1b64 h ALA 22 N 1.53 1.48 0.08 6.32 0.00 -1.97 1.40 119.26 128.10 1b64 h ALA 22 Ca 0.11 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1b64 h ALA 22 Cb 0.28 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 17.79 1b64 h ALA 22 CO 0.01 0.48 -0.68 -0.22 0.00 0.00 0.00 179.25 178.84 1b64 h LYS 23 N 0.99 0.31 -0.49 0.00 1.63 -1.73 -0.83 116.57 116.45 1b64 h LYS 23 Ca 0.27 -0.45 -0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1b64 h LYS 23 Cb -0.11 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 1b64 h LYS 23 CO -0.06 1.17 0.29 1.25 -3.45 0.00 0.00 179.45 178.65 1b64 h LEU 24 N -0.33 0.59 -0.83 5.20 6.46 -0.38 1.66 115.31 127.68 1b64 h LEU 24 Ca -0.11 -0.06 -0.11 0.00 -0.12 0.00 0.00 57.88 57.48 1b64 h LEU 24 Cb 1.48 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.24 1b64 h LEU 24 CO 0.13 0.48 -0.36 -0.08 -0.62 0.00 0.00 178.44 177.99 1b64 h GLU 25 N 0.65 0.44 0.20 1.25 4.57 0.18 -2.24 114.58 119.63 1b64 h GLU 25 Ca 0.18 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1b64 h GLU 25 Cb -0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1b64 h GLU 25 CO -0.03 0.74 -0.10 1.49 -1.18 0.00 0.00 179.01 179.93 1b64 h GLU 26 N 0.37 -0.26 -0.93 1.92 4.81 -0.45 -3.10 114.58 116.94 1b64 h GLU 26 Ca 0.04 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.44 1b64 h GLU 26 Cb 0.81 0.06 -0.16 0.00 0.63 0.00 0.00 28.75 30.09 1b64 h GLU 26 CO 0.07 -0.17 -0.37 0.00 -0.73 0.00 0.00 179.01 177.80 1b64 h VAL 28 N -0.03 0.31 0.15 0.00 2.07 -1.51 0.29 116.25 117.54 1b64 h VAL 28 Ca 0.34 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.80 1b64 h VAL 28 Cb 0.60 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1b64 h VAL 28 CO -0.94 0.03 -0.07 -0.09 0.02 0.00 0.00 177.57 176.52 1b64 h ARG 29 N 0.16 -0.19 -0.94 1.57 2.43 0.24 -3.21 114.38 114.44 1b64 h ARG 29 Ca 0.50 0.01 0.24 0.00 -0.81 0.00 0.00 59.98 59.92 1b64 h ARG 29 Cb 0.95 0.04 -0.18 0.00 -0.42 0.00 0.00 29.97 30.37 1b64 h ARG 29 CO -0.67 0.24 -0.03 -1.13 -1.51 0.00 0.00 179.97 176.87 1b64 n SER 30 N -4.94 -0.16 -4.51 -3.80 3.41 0.29 -4.45 113.62 99.46 1b64 n SER 30 Ca -0.08 1.60 -0.56 0.00 -0.26 0.00 0.00 58.87 59.56 1b64 n SER 30 Cb 0.27 -0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 63.58 1b64 n SER 30 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1b64 n ILE 31 N -5.42 0.21 -4.08 -1.33 5.41 -0.08 -4.95 119.36 109.13 1b64 n ILE 31 Ca 0.21 -0.05 -0.12 0.00 1.00 0.00 0.00 62.75 63.78 1b64 n ILE 31 Cb 0.67 -0.19 -0.11 0.00 -0.71 0.00 0.00 39.64 39.30 1b64 n ILE 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1b64 s GLN 32 N -0.02 0.57 0.25 0.38 0.74 -1.26 -4.98 119.66 115.35 1b64 s GLN 32 Ca 0.87 -0.85 -0.22 0.00 0.05 0.00 0.00 55.36 55.21 1b64 s GLN 32 Cb -1.17 -0.26 0.03 0.00 1.10 0.00 0.00 33.01 32.72 1b64 s GLN 32 CO 0.55 0.03 0.70 0.00 -0.55 0.00 0.00 175.29 176.02 1b64 s ALA 33 N -1.78 -1.32 -0.02 1.58 0.00 -1.26 -5.06 121.76 113.89 1b64 s ALA 33 Ca -0.06 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 1b64 s ALA 33 Cb -0.07 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 1b64 s ALA 33 CO -0.01 -0.97 1.27 0.34 0.00 0.00 0.00 175.76 176.40 1b64 s ASP 34 N -2.88 6.98 -0.05 0.00 -1.08 -1.26 -2.25 116.67 116.13 1b64 s ASP 34 Ca 0.09 1.95 0.00 0.00 -0.52 0.00 0.00 52.55 54.06 1b64 s ASP 34 Cb -0.05 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 1b64 s ASP 34 CO 0.02 -0.62 0.00 0.61 0.52 0.00 0.00 175.17 175.70 1b64 n GLY 35 N 3.45 0.33 3.63 2.66 0.00 -1.26 -4.73 105.19 109.27 1b64 n GLY 35 Ca 0.12 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1b64 n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1b64 s LEU 36 N -0.10 4.09 -0.11 0.99 0.20 -0.96 -3.75 118.68 119.04 1b64 s LEU 36 Ca 0.00 0.40 0.01 0.00 0.69 0.00 0.00 54.13 55.22 1b64 s LEU 36 Cb 0.00 -2.48 -0.02 0.00 -0.43 0.00 0.00 46.19 43.26 1b64 s LEU 36 CO 0.00 -0.15 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.10 1b64 s VAL 37 N 1.78 3.16 -0.28 1.68 1.01 -0.96 -4.60 120.40 122.20 1b64 s VAL 37 Ca 0.17 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1b64 s VAL 37 Cb -0.15 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1b64 s VAL 37 CO 0.09 0.54 0.13 0.26 0.00 0.00 0.00 175.10 176.12 1b64 s TRP 38 N -0.02 3.15 0.00 5.22 0.23 -1.26 -0.72 118.94 125.54 1b64 s TRP 38 Ca -0.03 -0.38 0.00 0.00 -2.03 0.00 0.00 56.10 53.66 1b64 s TRP 38 Cb -0.14 -2.32 0.00 0.00 0.03 0.00 0.00 33.47 31.04 1b64 s TRP 38 CO 0.04 -0.36 0.00 0.41 0.96 0.00 0.00 176.95 178.00 1b64 n GLY 39 N 4.98 1.61 3.86 0.98 0.00 -1.03 -4.96 105.19 110.64 1b64 n GLY 39 Ca -0.15 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 1b64 n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b64 s SER 40 N -1.00 6.62 0.37 1.61 1.04 -1.26 -4.83 113.70 116.25 1b64 s SER 40 Ca 0.00 0.74 0.03 0.00 0.48 0.00 0.00 55.95 57.20 1b64 s SER 40 Cb 0.00 -2.16 -0.01 0.00 0.10 0.00 0.00 66.02 63.95 1b64 s SER 40 CO 0.00 0.30 0.55 -0.94 0.98 0.00 0.00 173.24 174.13 1b64 s SER 41 N -1.33 5.98 0.19 7.02 1.04 -1.26 -2.89 113.70 122.45 1b64 s SER 41 Ca 0.24 0.09 0.07 0.00 0.48 0.00 0.00 55.95 56.83 1b64 s SER 41 Cb -0.14 -1.49 -0.05 0.00 0.10 0.00 0.00 66.02 64.44 1b64 s SER 41 CO 0.13 -0.49 -0.13 -0.54 0.98 0.00 0.00 173.24 173.18 1b64 s LYS 42 N -4.32 1.25 0.07 4.02 1.02 -0.37 -4.92 119.74 116.49 1b64 s LYS 42 Ca 0.45 -1.54 0.08 0.00 0.02 0.00 0.00 55.97 54.98 1b64 s LYS 42 Cb -0.10 -0.99 -0.03 0.00 -0.52 0.00 0.00 37.83 36.19 1b64 s LYS 42 CO 0.34 0.16 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.22 1b64 s LEU 43 N -3.23 2.24 -0.26 3.17 2.01 -1.26 -3.05 118.68 118.31 1b64 s LEU 43 Ca 0.20 -0.61 -0.03 0.00 0.01 0.00 0.00 54.13 53.71 1b64 s LEU 43 Cb -0.00 -0.91 0.11 0.00 0.01 0.00 0.00 46.19 45.39 1b64 s LEU 43 CO 0.05 0.10 0.20 -0.69 1.01 0.00 0.00 176.35 177.02 1b64 s VAL 44 N -1.00 -0.25 0.22 -1.59 1.01 -1.25 -4.95 120.40 112.59 1b64 s VAL 44 Ca 0.07 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1b64 s VAL 44 Cb -0.09 -0.86 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 1b64 s VAL 44 CO 0.03 -0.46 1.10 -2.16 0.00 0.00 0.00 175.10 173.61 1b64 s PRO 45 N 2.25 4.62 0.01 2.72 0.04 -1.26 0.02 135.00 143.40 1b64 s PRO 45 Ca 0.08 1.75 0.22 0.00 0.04 0.00 0.00 61.00 63.09 1b64 s PRO 45 Cb -0.15 -3.24 -0.20 0.00 0.04 0.00 0.00 34.50 30.94 1b64 s PRO 45 CO -0.26 0.14 0.74 1.55 0.04 0.00 0.00 177.00 179.20 1b64 n VAL 46 N 1.87 0.08 0.00 -0.36 3.14 -1.24 -4.86 118.33 116.97 1b64 n VAL 46 Ca 0.01 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 1b64 n VAL 46 Cb 0.45 0.25 0.00 0.00 -1.06 0.00 0.00 33.84 33.48 1b64 n VAL 46 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1b64 n GLY 47 N 1.33 -0.73 1.36 7.55 0.00 -1.26 -5.09 105.19 108.34 1b64 n GLY 47 Ca -0.01 0.20 0.16 0.00 0.00 0.00 0.00 46.02 46.38 1b64 n GLY 47 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1b64 n TYR 48 N 0.00 -3.44 0.00 1.61 9.36 -1.26 -4.64 117.16 118.79 1b64 n TYR 48 Ca 0.00 1.86 0.00 0.00 3.32 0.00 0.00 57.90 63.08 1b64 n TYR 48 Cb 0.00 -3.13 0.00 0.00 -0.63 0.00 0.00 39.34 35.58 1b64 n TYR 48 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1b64 n GLY 49 N -4.16 0.97 3.78 2.98 0.00 -1.26 -4.79 105.19 102.72 1b64 n GLY 49 Ca -0.06 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 1b64 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b64 s ILE 50 N 0.00 4.23 0.18 -0.61 1.09 -1.26 -4.30 121.20 120.52 1b64 s ILE 50 Ca 0.00 -1.43 -0.14 0.00 -1.10 0.00 0.00 60.65 57.98 1b64 s ILE 50 Cb 0.00 -3.24 0.01 0.00 -1.06 0.00 0.00 42.46 38.17 1b64 s ILE 50 CO 0.00 -0.29 0.41 -0.54 -0.10 0.00 0.00 174.94 174.42 1b64 s LYS 51 N -3.60 1.26 0.25 2.79 1.02 -1.26 -3.69 119.74 116.51 1b64 s LYS 51 Ca 0.32 -1.00 -0.18 0.00 0.02 0.00 0.00 55.97 55.13 1b64 s LYS 51 Cb -0.08 0.45 -0.08 0.00 -0.52 0.00 0.00 37.83 37.60 1b64 s LYS 51 CO 0.23 -0.50 0.72 0.21 -0.92 0.00 0.00 175.35 175.09 1b64 s LYS 52 N -3.91 4.17 -1.01 1.68 2.20 0.10 -4.32 119.74 118.65 1b64 s LYS 52 Ca 0.12 0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 56.51 1b64 s LYS 52 Cb 0.01 -2.75 0.31 0.00 -1.51 0.00 0.00 37.83 33.89 1b64 s LYS 52 CO -0.02 0.33 1.50 1.28 -0.36 0.00 0.00 175.35 178.08 1b64 n LEU 53 N 0.41 6.40 -4.80 5.43 7.99 0.15 -3.92 117.00 128.66 1b64 n LEU 53 Ca -0.01 -5.30 -0.38 0.00 -0.01 0.00 0.00 56.01 50.31 1b64 n LEU 53 Cb 0.52 -1.17 -0.06 0.00 -0.11 0.00 0.00 43.42 42.60 1b64 n LEU 53 CO 0.43 1.85 0.20 -1.58 -1.51 0.00 0.00 177.39 176.78 1b64 s GLN 54 N -3.23 4.15 0.02 3.23 0.74 -1.17 -1.88 119.66 121.52 1b64 s GLN 54 Ca 0.35 0.59 -0.13 0.00 0.05 0.00 0.00 55.36 56.22 1b64 s GLN 54 Cb 0.11 -3.28 0.02 0.00 1.10 0.00 0.00 33.01 30.95 1b64 s GLN 54 CO 0.03 0.55 0.27 0.96 -0.55 0.00 0.00 175.29 176.54 1b64 s ILE 55 N -0.71 0.08 0.03 -2.34 -0.00 -0.87 -1.24 121.20 116.15 1b64 s ILE 55 Ca 0.27 -0.68 0.07 0.00 -0.00 0.00 0.00 60.65 60.31 1b64 s ILE 55 Cb -0.18 -0.81 -0.03 0.00 -0.00 0.00 0.00 42.46 41.44 1b64 s ILE 55 CO 0.16 -0.37 -0.17 -1.58 -0.00 0.00 0.00 174.94 172.97 1b64 s GLN 56 N -2.14 2.14 0.10 0.37 2.00 -1.14 -1.49 119.66 119.51 1b64 s GLN 56 Ca -0.08 -0.93 0.01 0.00 -2.00 0.00 0.00 55.36 52.35 1b64 s GLN 56 Cb -0.03 -2.22 -0.04 0.00 0.80 0.00 0.00 33.01 31.52 1b64 s GLN 56 CO -0.01 0.55 -0.03 0.00 -0.50 0.00 0.00 175.29 175.30 1b64 s VAL 58 N -3.74 1.49 0.71 0.00 1.01 0.10 -2.42 120.40 117.55 1b64 s VAL 58 Ca 0.14 -2.14 -0.07 0.00 0.00 0.00 0.00 61.98 59.91 1b64 s VAL 58 Cb 0.06 -2.08 0.06 0.00 0.00 0.00 0.00 36.38 34.42 1b64 s VAL 58 CO -0.04 -0.74 1.03 0.68 0.00 0.00 0.00 175.10 176.02 1b64 s VAL 59 N 0.89 2.36 -1.21 2.92 -7.23 -0.73 -2.26 120.40 115.15 1b64 s VAL 59 Ca 0.13 -0.21 -0.12 0.00 -1.81 0.00 0.00 61.98 59.97 1b64 s VAL 59 Cb -0.21 -3.04 0.19 0.00 0.56 0.00 0.00 36.38 33.88 1b64 s VAL 59 CO -0.11 -0.04 1.46 -0.62 -0.31 0.00 0.00 175.10 175.48 1b64 n GLU 60 N -2.94 3.46 0.00 4.82 1.02 -1.25 0.22 120.64 125.98 1b64 n GLU 60 Ca 0.08 -3.91 0.00 0.00 -0.02 0.00 0.00 57.16 53.31 1b64 n GLU 60 Cb 0.60 -2.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.08 1b64 n GLU 60 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1b64 n ASP 61 N 4.85 0.00 -1.13 1.62 2.03 -1.09 0.27 116.55 123.10 1b64 n ASP 61 Ca 0.35 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.68 1b64 n ASP 61 Cb 0.41 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.82 1b64 n ASP 61 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1b64 n ASP 62 N 1.52 0.53 -0.07 1.67 -0.08 -1.26 -4.71 116.55 114.14 1b64 n ASP 62 Ca 0.00 -1.97 -0.07 0.00 -1.51 0.00 0.00 54.79 51.25 1b64 n ASP 62 Cb 0.00 -0.22 -0.04 0.00 2.34 0.00 0.00 41.12 43.20 1b64 n ASP 62 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1b64 h LYS 63 N 0.60 0.00 -4.74 -0.67 3.64 -0.55 -3.44 116.57 111.42 1b64 h LYS 63 Ca -0.18 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.51 1b64 h LYS 63 Cb 1.69 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 33.31 1b64 h LYS 63 CO 0.04 0.32 -0.35 0.08 -2.27 0.00 0.00 179.45 177.28 1b64 s VAL 64 N -1.97 5.20 0.35 2.00 1.01 -1.26 -4.93 120.40 120.80 1b64 s VAL 64 Ca -0.11 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.55 1b64 s VAL 64 Cb 0.01 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1b64 s VAL 64 CO 0.27 -0.24 0.53 -0.83 0.00 0.00 0.00 175.10 174.83 1b64 s GLY 65 N 1.73 1.40 0.46 4.51 0.00 -1.26 -4.58 107.32 109.58 1b64 s GLY 65 Ca 0.09 -1.07 0.26 0.00 0.00 0.00 0.00 44.72 43.99 1b64 s GLY 65 CO 0.11 -1.00 1.75 -0.84 0.00 0.00 0.00 173.10 173.12 1b64 h THR 66 N 0.77 0.19 -0.65 0.90 2.02 -1.99 -3.26 112.91 110.89 1b64 h THR 66 Ca -0.49 -1.00 0.11 0.00 0.77 0.00 0.00 66.41 65.80 1b64 h THR 66 Cb 1.23 1.85 -0.12 0.00 -1.74 0.00 0.00 68.15 69.38 1b64 h THR 66 CO 0.59 0.09 -0.32 -2.24 0.37 0.00 0.00 175.52 174.01 1b64 h ASP 67 N 0.00 -1.14 0.37 4.18 2.03 -1.98 1.62 116.42 121.51 1b64 h ASP 67 Ca -0.00 0.23 -0.02 0.00 -0.73 0.00 0.00 57.03 56.52 1b64 h ASP 67 Cb 0.85 0.58 0.00 0.00 -0.83 0.00 0.00 39.33 39.93 1b64 h ASP 67 CO 0.01 -0.30 -0.18 -0.03 -1.03 0.00 0.00 179.24 177.72 1b64 h MET 68 N -0.13 -0.48 -0.79 4.15 4.05 -1.98 -0.04 114.93 119.71 1b64 h MET 68 Ca 0.26 0.03 0.17 0.00 -0.28 0.00 0.00 59.70 59.88 1b64 h MET 68 Cb 0.55 0.11 -0.11 0.00 -0.80 0.00 0.00 31.60 31.35 1b64 h MET 68 CO -0.72 -0.20 0.28 -0.07 0.23 0.00 0.00 176.91 176.43 1b64 h LEU 69 N -0.75 0.18 0.35 3.39 3.38 -1.39 0.23 115.31 120.71 1b64 h LEU 69 Ca -0.05 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1b64 h LEU 69 Cb 0.51 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1b64 h LEU 69 CO 0.08 0.02 -0.17 -0.08 0.09 0.00 0.00 178.44 178.38 1b64 h GLU 70 N 0.36 -0.46 0.00 1.13 4.81 0.25 1.70 114.58 122.37 1b64 h GLU 70 Ca 0.46 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 1b64 h GLU 70 Cb 0.79 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1b64 h GLU 70 CO -0.49 -0.24 0.03 0.39 -0.73 0.00 0.00 179.01 177.97 1b64 n GLU 71 N -5.25 0.10 -0.13 1.92 1.02 -0.04 0.19 120.64 118.44 1b64 n GLU 71 Ca -0.10 0.59 -0.27 0.00 -0.02 0.00 0.00 57.16 57.36 1b64 n GLU 71 Cb 0.23 -1.86 -0.11 0.00 -0.02 0.00 0.00 31.44 29.69 1b64 n GLU 71 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1b64 n GLN 72 N -2.04 0.61 0.04 3.49 1.13 0.66 -3.43 117.38 117.83 1b64 n GLN 72 Ca -0.01 0.24 -0.11 0.00 -1.94 0.00 0.00 57.00 55.18 1b64 n GLN 72 Cb 0.05 -1.51 -0.08 0.00 0.11 0.00 0.00 30.24 28.81 1b64 n GLN 72 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1b64 h ILE 73 N -0.73 0.97 0.00 5.09 2.04 0.32 -3.07 117.51 122.13 1b64 h ILE 73 Ca -0.66 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 63.99 1b64 h ILE 73 Cb 1.69 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1b64 h ILE 73 CO -0.33 0.25 0.00 0.35 0.00 0.00 0.00 178.15 178.42 1b64 n THR 74 N -4.89 0.03 0.24 -0.27 -2.24 0.49 -2.99 114.28 104.65 1b64 n THR 74 Ca -0.08 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.82 1b64 n THR 74 Cb 0.27 -0.63 0.57 0.00 -2.10 0.00 0.00 70.33 68.45 1b64 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b64 n ALA 75 N -1.03 1.24 -3.42 6.98 0.00 -1.16 -3.95 120.51 119.17 1b64 n ALA 75 Ca 0.18 0.17 -0.44 0.00 0.00 0.00 0.00 53.44 53.34 1b64 n ALA 75 Cb 0.10 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.16 1b64 n ALA 75 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1b64 s PHE 76 N -3.49 3.63 -1.52 0.00 0.08 -1.16 -4.86 117.98 110.66 1b64 s PHE 76 Ca -0.00 -2.07 0.23 0.00 0.12 0.00 0.00 56.93 55.20 1b64 s PHE 76 Cb 0.07 -3.68 1.17 0.00 -0.57 0.00 0.00 43.02 40.02 1b64 s PHE 76 CO 0.26 -0.96 1.73 0.39 -0.10 0.00 0.00 175.22 176.54 1b64 n GLU 77 N 4.04 0.38 -0.75 0.44 -0.58 -1.25 -0.42 120.64 122.50 1b64 n GLU 77 Ca 0.09 0.06 0.08 0.00 -0.42 0.00 0.00 57.16 56.97 1b64 n GLU 77 Cb 0.44 -1.50 0.37 0.00 -0.57 0.00 0.00 31.44 30.18 1b64 n GLU 77 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1b64 n ASP 78 N -1.24 5.15 0.00 1.62 -0.08 -1.26 -4.47 116.55 116.27 1b64 n ASP 78 Ca 0.12 -2.69 0.00 0.00 -1.51 0.00 0.00 54.79 50.71 1b64 n ASP 78 Cb 0.16 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 42.99 1b64 n ASP 78 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1b64 n TYR 79 N 0.82 -0.77 -2.88 -0.67 4.02 -0.91 -4.93 117.16 111.85 1b64 n TYR 79 Ca 0.26 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.73 1b64 n TYR 79 Cb 1.03 0.27 -0.04 0.00 -0.02 0.00 0.00 39.34 40.59 1b64 n TYR 79 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1b64 s VAL 80 N -1.55 4.87 -0.03 -0.72 1.01 0.44 -0.62 120.40 123.80 1b64 s VAL 80 Ca 0.00 1.64 -0.12 0.00 0.00 0.00 0.00 61.98 63.50 1b64 s VAL 80 Cb 0.00 -4.14 -0.32 0.00 0.00 0.00 0.00 36.38 31.92 1b64 s VAL 80 CO 0.00 0.01 0.75 -0.61 0.00 0.00 0.00 175.10 175.25 1b64 h GLN 81 N 7.37 0.43 -0.08 2.72 4.15 0.15 -3.42 115.11 126.42 1b64 h GLN 81 Ca -0.28 -0.73 0.28 0.00 0.77 0.00 0.00 58.65 58.69 1b64 h GLN 81 Cb 1.12 0.27 -0.23 0.00 0.21 0.00 0.00 27.48 28.86 1b64 h GLN 81 CO 0.85 1.35 0.36 -1.12 -1.93 0.00 0.00 178.83 178.33 1b64 s SER 82 N -7.36 -0.09 0.42 -0.69 0.01 -1.21 -4.99 113.70 99.79 1b64 s SER 82 Ca -0.14 0.07 -0.16 0.00 1.31 0.00 0.00 55.95 57.03 1b64 s SER 82 Cb 0.05 1.08 -0.09 0.00 0.21 0.00 0.00 66.02 67.27 1b64 s SER 82 CO 0.88 -0.02 0.87 -0.32 0.41 0.00 0.00 173.24 175.06 1b64 s MET 83 N 2.71 4.01 0.17 12.44 1.75 -1.26 -3.15 119.30 135.96 1b64 s MET 83 Ca -0.07 0.84 -0.00 0.00 -1.25 0.00 0.00 55.69 55.21 1b64 s MET 83 Cb -0.06 -2.27 0.00 0.00 2.84 0.00 0.00 34.83 35.34 1b64 s MET 83 CO -0.10 -0.05 0.22 -0.25 -0.65 0.00 0.00 175.02 174.18 1b64 n ASP 84 N -0.97 -0.59 -4.40 1.11 9.92 -0.13 -5.00 116.55 116.48 1b64 n ASP 84 Ca 0.05 -1.93 -0.32 0.00 -0.53 0.00 0.00 54.79 52.06 1b64 n ASP 84 Cb 0.54 1.14 -0.14 0.00 -0.64 0.00 0.00 41.12 42.01 1b64 n ASP 84 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1b64 s VAL 85 N -2.62 2.64 -0.12 2.53 0.11 -1.26 -3.26 120.40 118.42 1b64 s VAL 85 Ca 0.15 -0.88 0.19 0.00 -2.93 0.00 0.00 61.98 58.51 1b64 s VAL 85 Cb -0.00 -1.99 -0.26 0.00 -1.53 0.00 0.00 36.38 32.60 1b64 s VAL 85 CO 0.11 0.58 0.38 0.00 -3.33 0.00 0.00 175.10 172.84 1b64 n ALA 86 N 2.43 2.08 0.00 1.54 0.00 -0.91 -4.87 120.51 120.77 1b64 n ALA 86 Ca -0.17 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1b64 n ALA 86 Cb 0.52 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.42 1b64 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b64 n ALA 87 N -2.50 0.00 -3.27 0.00 0.00 -1.22 -4.98 120.51 108.54 1b64 n ALA 87 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.20 1b64 n ALA 87 Cb 0.87 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.28 1b64 n ALA 87 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1b64 s PHE 88 N -2.00 -1.17 0.32 0.00 5.36 -1.26 -4.10 117.98 115.13 1b64 s PHE 88 Ca 0.00 0.29 -0.06 0.00 -0.96 0.00 0.00 56.93 56.19 1b64 s PHE 88 Cb 0.00 -0.04 0.02 0.00 -0.34 0.00 0.00 43.02 42.67 1b64 s PHE 88 CO 0.00 -1.03 0.53 -1.71 -1.46 0.00 0.00 175.22 171.55 1b64 n ASN 89 N 5.07 -1.50 -4.76 6.13 5.15 -1.21 -5.10 115.26 119.05 1b64 n ASN 89 Ca 0.04 -2.54 -0.29 0.00 -0.60 0.00 0.00 54.58 51.20 1b64 n ASN 89 Cb 0.51 2.65 0.14 0.00 -0.53 0.00 0.00 39.78 42.54 1b64 n ASN 89 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1b64 s LYS 90 N -2.45 1.10 0.00 1.20 1.02 -1.26 -2.06 119.74 117.29 1b64 s LYS 90 Ca 0.21 0.27 0.17 0.00 0.02 0.00 0.00 55.97 56.63 1b64 s LYS 90 Cb -0.02 -1.84 0.13 0.00 -0.52 0.00 0.00 37.83 35.59 1b64 s LYS 90 CO 0.15 -2.22 1.04 1.51 -0.92 0.00 0.00 175.35 174.91