#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 -4.25 4.03 7.94 -1.26 -4.98 117.00 118.48 1b64 n LEU 2 Ca 0.00 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.46 1b64 n LEU 2 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1b64 n LEU 2 CO 0.00 0.00 1.48 1.33 -1.11 0.00 0.00 177.39 179.09 1b64 n VAL 3 N 0.00 4.38 -4.39 1.96 0.24 -1.26 -4.59 118.33 114.68 1b64 n VAL 3 Ca 0.00 -4.78 -0.40 0.00 -2.04 0.00 0.00 64.34 57.13 1b64 n VAL 3 Cb 0.00 -2.42 -0.08 0.00 -1.47 0.00 0.00 33.84 29.87 1b64 n VAL 3 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b64 n ALA 4 N 4.55 -1.24 -2.61 2.33 0.00 -1.26 -4.88 120.51 117.40 1b64 n ALA 4 Ca 0.36 -0.22 -0.27 0.00 0.00 0.00 0.00 53.44 53.30 1b64 n ALA 4 Cb 0.40 -2.22 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 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 -6.98 1.94 0.23 0.00 -0.14 -1.26 -1.83 119.74 111.69 1b64 s LYS 5 Ca 0.71 -2.12 -0.17 0.00 -1.36 0.00 0.00 55.97 53.03 1b64 s LYS 5 Cb -0.42 -1.42 0.02 0.00 -1.68 0.00 0.00 37.83 34.33 1b64 s LYS 5 CO 0.98 -0.15 0.57 0.45 -0.76 0.00 0.00 175.35 176.44 1b64 s SER 6 N -3.69 -0.22 0.01 2.83 0.15 0.26 -4.07 113.70 108.97 1b64 s SER 6 Ca 0.30 -0.64 0.05 0.00 0.70 0.00 0.00 55.95 56.36 1b64 s SER 6 Cb 0.08 0.63 -0.02 0.00 -1.71 0.00 0.00 66.02 65.00 1b64 s SER 6 CO 0.15 -1.16 -0.16 -0.55 1.20 0.00 0.00 173.24 172.72 1b64 s SER 7 N -2.93 1.84 -0.11 5.45 0.15 -1.16 0.47 113.70 117.42 1b64 s SER 7 Ca 0.13 -0.37 -0.00 0.00 0.70 0.00 0.00 55.95 56.41 1b64 s SER 7 Cb -0.02 -0.17 0.02 0.00 -1.71 0.00 0.00 66.02 64.14 1b64 s SER 7 CO 0.03 0.13 -0.07 -0.63 1.20 0.00 0.00 173.24 173.91 1b64 s ILE 8 N -0.58 0.98 -0.58 6.45 1.09 -0.68 -3.85 121.20 124.03 1b64 s ILE 8 Ca 0.05 -0.26 -0.15 0.00 -1.10 0.00 0.00 60.65 59.19 1b64 s ILE 8 Cb -0.07 -1.00 0.14 0.00 -1.06 0.00 0.00 42.46 40.47 1b64 s ILE 8 CO 0.00 0.36 0.52 -0.22 -0.10 0.00 0.00 174.94 175.51 1b64 s LEU 9 N 1.71 6.21 -0.06 2.97 2.96 -1.20 -3.36 118.68 127.91 1b64 s LEU 9 Ca 0.05 -1.94 -0.13 0.00 -0.22 0.00 0.00 54.13 51.88 1b64 s LEU 9 Cb -0.13 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.33 1b64 s LEU 9 CO -0.08 -0.80 0.33 -0.76 -1.32 0.00 0.00 176.35 173.73 1b64 s LEU 10 N 1.35 4.41 -0.42 -0.68 1.02 -1.13 0.81 118.68 124.04 1b64 s LEU 10 Ca 0.06 0.77 0.03 0.00 0.02 0.00 0.00 54.13 55.00 1b64 s LEU 10 Cb -0.27 -2.44 0.11 0.00 0.02 0.00 0.00 46.19 43.62 1b64 s LEU 10 CO 0.01 0.29 0.15 -0.62 0.02 0.00 0.00 176.35 176.20 1b64 s ASP 11 N -0.71 4.69 0.28 2.29 2.15 -1.19 -2.15 116.67 122.03 1b64 s ASP 11 Ca 0.21 -2.46 -0.19 0.00 0.43 0.00 0.00 52.55 50.54 1b64 s ASP 11 Cb -0.15 -1.66 -0.09 0.00 -0.30 0.00 0.00 42.92 40.72 1b64 s ASP 11 CO 0.09 -0.35 0.76 -0.69 -0.17 0.00 0.00 175.17 174.82 1b64 s VAL 12 N 0.48 4.56 -0.16 1.11 1.01 1.00 -3.40 120.40 125.00 1b64 s VAL 12 Ca 0.13 1.24 -0.04 0.00 0.00 0.00 0.00 61.98 63.31 1b64 s VAL 12 Cb -0.22 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1b64 s VAL 12 CO -0.05 0.05 -0.03 -0.75 0.00 0.00 0.00 175.10 174.32 1b64 s LYS 13 N -2.37 3.70 0.42 2.72 2.47 -1.17 -1.55 119.74 123.95 1b64 s LYS 13 Ca 0.48 -0.50 -0.23 0.00 -1.56 0.00 0.00 55.97 54.16 1b64 s LYS 13 Cb -0.14 -2.95 -0.09 0.00 -1.46 0.00 0.00 37.83 33.19 1b64 s LYS 13 CO 0.20 0.24 1.05 -1.25 0.16 0.00 0.00 175.35 175.74 1b64 s PRO 14 N 0.39 4.09 0.30 4.03 0.04 -1.26 0.18 135.00 142.76 1b64 s PRO 14 Ca -0.03 1.49 0.02 0.00 0.04 0.00 0.00 61.00 62.52 1b64 s PRO 14 Cb -0.14 -2.45 0.58 0.00 0.04 0.00 0.00 34.50 32.53 1b64 s PRO 14 CO 0.03 -0.20 1.88 -1.49 0.04 0.00 0.00 177.00 177.25 1b64 h TRP 15 N 2.31 1.05 -1.92 0.56 -0.00 -1.36 -3.42 115.95 113.18 1b64 h TRP 15 Ca -0.49 0.03 0.30 0.00 -0.00 0.00 0.00 58.89 58.73 1b64 h TRP 15 Cb 1.22 -0.34 -0.09 0.00 -0.00 0.00 0.00 29.16 29.95 1b64 h TRP 15 CO 0.58 0.48 0.80 -0.51 -0.00 0.00 0.00 178.44 179.79 1b64 s ASP 16 N -5.87 -0.03 0.55 -3.49 1.01 -1.26 -4.98 116.67 102.59 1b64 s ASP 16 Ca -0.11 -0.26 0.36 0.00 0.71 0.00 0.00 52.55 53.25 1b64 s ASP 16 Cb 0.21 0.23 1.53 0.00 1.01 0.00 0.00 42.92 45.89 1b64 s ASP 16 CO 0.80 -0.44 1.80 -2.24 0.21 0.00 0.00 175.17 175.31 1b64 h ASP 17 N 2.00 0.00 -0.19 0.27 3.04 -1.89 0.38 116.42 120.03 1b64 h ASP 17 Ca -0.27 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.55 1b64 h ASP 17 Cb 1.20 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.46 1b64 h ASP 17 CO 0.30 0.00 0.00 1.05 -2.04 0.00 0.00 179.24 178.56 1b64 h GLU 18 N 0.00 0.06 -5.52 4.15 4.11 -1.94 -3.43 114.58 112.02 1b64 h GLU 18 Ca 0.53 -0.00 -0.75 0.00 0.07 0.00 0.00 59.36 59.20 1b64 h GLU 18 Cb 2.17 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.39 1b64 h GLU 18 CO -0.01 0.04 0.97 2.41 0.07 0.00 0.00 179.01 182.49 1b64 n THR 19 N -5.13 0.00 -1.55 -1.06 -1.04 0.13 -4.67 114.28 100.96 1b64 n THR 19 Ca -0.03 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.62 1b64 n THR 19 Cb 0.10 -0.46 -0.04 0.00 -1.82 0.00 0.00 70.33 68.12 1b64 n THR 19 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1b64 n ASP 20 N 5.54 2.27 0.21 8.00 8.00 -1.26 -4.75 116.55 134.56 1b64 n ASP 20 Ca 0.41 -0.45 0.15 0.00 0.71 0.00 0.00 54.79 55.62 1b64 n ASP 20 Cb -0.04 -1.56 0.63 0.00 -0.02 0.00 0.00 41.12 40.13 1b64 n ASP 20 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1b64 h MET 21 N 19.09 0.00 0.16 -1.24 2.86 -1.87 0.24 114.93 134.17 1b64 h MET 21 Ca -0.24 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.08 1b64 h MET 21 Cb 1.27 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.94 1b64 h MET 21 CO 1.16 0.00 -1.53 0.00 1.06 0.00 0.00 176.91 177.60 1b64 h ALA 22 N 2.11 0.14 0.04 6.32 0.00 -1.98 -2.95 119.26 122.95 1b64 h ALA 22 Ca 0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 54.91 53.76 1b64 h ALA 22 Cb 0.40 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1b64 h ALA 22 CO 0.00 1.01 -0.46 -0.22 0.00 0.00 0.00 179.25 179.58 1b64 h LYS 23 N 0.09 0.24 -0.97 0.00 3.64 -1.83 -0.11 116.57 117.63 1b64 h LYS 23 Ca -0.25 -0.31 0.14 0.00 -1.27 0.00 0.00 60.65 58.95 1b64 h LYS 23 Cb 2.06 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 33.90 1b64 h LYS 23 CO 0.19 1.07 0.61 1.25 -2.27 0.00 0.00 179.45 180.31 1b64 h LEU 24 N -0.45 0.82 0.18 5.20 6.46 -0.69 1.54 115.31 128.38 1b64 h LEU 24 Ca -0.07 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 1b64 h LEU 24 Cb 1.27 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 1b64 h LEU 24 CO 0.09 0.41 -0.09 -0.08 -0.62 0.00 0.00 178.44 178.16 1b64 h GLU 25 N 0.87 -0.24 -0.87 1.25 4.81 -1.55 -2.31 114.58 116.55 1b64 h GLU 25 Ca 0.49 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.91 1b64 h GLU 25 Cb 0.61 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.94 1b64 h GLU 25 CO -0.26 -0.16 0.43 1.05 -0.73 0.00 0.00 179.01 179.34 1b64 h GLU 26 N -0.88 0.55 0.26 1.92 4.11 -0.78 0.11 114.58 119.86 1b64 h GLU 26 Ca -0.03 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 1b64 h GLU 26 Cb 0.19 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1b64 h GLU 26 CO 0.04 0.36 -0.19 0.00 0.07 0.00 0.00 179.01 179.30 1b64 h VAL 28 N -0.44 0.00 -0.79 0.00 2.07 -0.42 0.25 116.25 116.91 1b64 h VAL 28 Ca -0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 1b64 h VAL 28 Cb 0.38 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.05 1b64 h VAL 28 CO 0.00 0.00 0.33 -0.09 0.02 0.00 0.00 177.57 177.83 1b64 h ARG 29 N -0.35 0.43 -0.65 1.57 2.43 -1.02 0.06 114.38 116.85 1b64 h ARG 29 Ca 0.08 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.36 1b64 h ARG 29 Cb 0.56 -0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 29.89 1b64 h ARG 29 CO -0.61 0.29 -0.10 0.66 -1.51 0.00 0.00 179.97 178.71 1b64 h SER 30 N 0.45 -0.48 -1.49 -3.80 4.64 0.17 -3.41 113.55 109.63 1b64 h SER 30 Ca 0.45 0.18 -0.69 0.00 -0.47 0.00 0.00 61.79 61.26 1b64 h SER 30 Cb 0.71 0.36 0.07 0.00 -0.31 0.00 0.00 62.40 63.24 1b64 h SER 30 CO -0.43 -0.19 0.08 -0.38 -0.87 0.00 0.00 176.83 175.05 1b64 n ILE 31 N -5.39 0.77 -4.29 0.95 5.41 0.00 -4.96 119.36 111.85 1b64 n ILE 31 Ca 0.09 -0.19 -0.16 0.00 1.00 0.00 0.00 62.75 63.49 1b64 n ILE 31 Cb 0.36 -0.45 -0.10 0.00 -0.71 0.00 0.00 39.64 38.74 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 -0.32 1.23 -0.39 0.38 0.74 -1.26 -4.99 119.66 115.06 1b64 s GLN 32 Ca 0.77 -1.60 0.04 0.00 0.05 0.00 0.00 55.36 54.63 1b64 s GLN 32 Cb -0.99 -0.54 0.31 0.00 1.10 0.00 0.00 33.01 32.89 1b64 s GLN 32 CO 0.54 -0.07 1.24 0.00 -0.55 0.00 0.00 175.29 176.45 1b64 n ALA 33 N -0.33 -2.21 -0.04 1.58 0.00 -1.26 -4.99 120.51 113.25 1b64 n ALA 33 Ca -0.06 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1b64 n ALA 33 Cb 0.63 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1b64 n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1b64 n ASP 34 N 0.70 0.00 -1.48 0.00 2.03 -1.26 -0.56 116.55 115.98 1b64 n ASP 34 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1b64 n ASP 34 Cb 0.72 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.12 1b64 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b64 n GLY 35 N 0.00 2.06 3.19 0.27 0.00 -1.26 -4.69 105.19 104.76 1b64 n GLY 35 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 4.09 -0.13 0.99 2.96 0.28 -3.82 118.68 123.05 1b64 s LEU 36 Ca 0.00 -1.31 -0.06 0.00 -0.22 0.00 0.00 54.13 52.54 1b64 s LEU 36 Cb 0.00 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1b64 s LEU 36 CO 0.00 -0.30 0.08 -0.69 -1.32 0.00 0.00 176.35 174.12 1b64 s VAL 37 N 1.27 4.95 -0.98 1.68 1.01 -1.23 -4.54 120.40 122.57 1b64 s VAL 37 Ca -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1b64 s VAL 37 Cb -0.20 -3.17 0.24 0.00 0.00 0.00 0.00 36.38 33.26 1b64 s VAL 37 CO -0.01 0.56 0.92 0.79 0.00 0.00 0.00 175.10 177.36 1b64 n TRP 38 N 2.60 4.55 -0.34 5.22 5.03 -1.26 -1.64 117.44 131.60 1b64 n TRP 38 Ca -0.18 -4.02 -0.09 0.00 3.03 0.00 0.00 57.50 56.24 1b64 n TRP 38 Cb 0.54 -1.34 -0.08 0.00 -1.03 0.00 0.00 31.31 29.40 1b64 n TRP 38 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1b64 n GLY 39 N 2.38 -2.35 0.00 6.99 0.00 -1.11 -4.81 105.19 106.29 1b64 n GLY 39 Ca 0.23 1.00 0.00 0.00 0.00 0.00 0.00 46.02 47.25 1b64 n GLY 39 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1b64 n SER 40 N -4.90 0.00 -4.88 1.61 7.64 -1.21 -5.05 113.62 106.83 1b64 n SER 40 Ca 0.02 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.60 1b64 n SER 40 Cb 0.21 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 1b64 n SER 40 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1b64 s SER 41 N 0.00 6.48 0.16 6.43 1.04 -1.26 -3.38 113.70 123.16 1b64 s SER 41 Ca 0.00 1.14 -0.00 0.00 0.48 0.00 0.00 55.95 57.57 1b64 s SER 41 Cb 0.00 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.75 1b64 s SER 41 CO 0.00 -0.45 0.06 -1.59 0.98 0.00 0.00 173.24 172.24 1b64 s LYS 42 N -4.03 1.03 0.15 4.02 -2.85 -0.91 -4.97 119.74 112.18 1b64 s LYS 42 Ca 0.51 -1.51 0.10 0.00 -1.00 0.00 0.00 55.97 54.08 1b64 s LYS 42 Cb -0.10 0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.76 1b64 s LYS 42 CO 0.34 -0.26 -0.21 -0.51 0.10 0.00 0.00 175.35 174.81 1b64 s LEU 43 N -3.10 2.58 -0.29 2.77 2.01 -1.26 -3.53 118.68 117.86 1b64 s LEU 43 Ca 0.27 -0.68 -0.03 0.00 0.01 0.00 0.00 54.13 53.70 1b64 s LEU 43 Cb 0.07 -1.39 0.11 0.00 0.01 0.00 0.00 46.19 44.99 1b64 s LEU 43 CO 0.05 0.15 0.17 -0.69 1.01 0.00 0.00 176.35 177.04 1b64 s VAL 44 N -1.32 -0.14 0.18 -1.59 1.01 -1.22 -4.94 120.40 112.37 1b64 s VAL 44 Ca 0.19 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 1b64 s VAL 44 Cb -0.10 -0.98 -0.08 0.00 0.00 0.00 0.00 36.38 35.22 1b64 s VAL 44 CO 0.10 -0.68 1.12 -2.16 0.00 0.00 0.00 175.10 173.47 1b64 s PRO 45 N 2.11 4.58 -0.17 2.72 0.04 -1.26 -0.39 135.00 142.62 1b64 s PRO 45 Ca 0.10 1.74 0.06 0.00 0.04 0.00 0.00 61.00 62.94 1b64 s PRO 45 Cb -0.16 -3.27 -0.15 0.00 0.04 0.00 0.00 34.50 30.96 1b64 s PRO 45 CO -0.34 0.05 -0.08 1.55 0.04 0.00 0.00 177.00 178.22 1b64 n VAL 46 N 2.39 1.07 0.00 -0.36 3.14 -1.26 -4.96 118.33 118.35 1b64 n VAL 46 Ca 0.03 -0.51 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 1b64 n VAL 46 Cb 0.46 -0.93 0.00 0.00 -1.06 0.00 0.00 33.84 32.31 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 2.37 3.97 2.54 7.55 0.00 -1.26 -5.12 105.19 115.23 1b64 n GLY 47 Ca -0.30 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 1b64 n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1b64 s TYR 48 N 3.22 0.56 0.00 1.61 1.13 -1.26 -4.86 117.35 117.74 1b64 s TYR 48 Ca 0.00 -1.16 0.00 0.00 -1.41 0.00 0.00 57.07 54.50 1b64 s TYR 48 Cb 0.00 -0.99 0.00 0.00 -1.10 0.00 0.00 41.96 39.87 1b64 s TYR 48 CO 0.00 -0.83 0.00 0.41 -2.51 0.00 0.00 175.55 172.62 1b64 n GLY 49 N 4.90 3.75 3.96 5.49 0.00 -1.26 -5.10 105.19 116.93 1b64 n GLY 49 Ca -0.01 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 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 4.43 0.17 -0.61 1.09 -1.26 -4.66 121.20 120.36 1b64 s ILE 50 Ca 0.00 -0.68 -0.14 0.00 -1.10 0.00 0.00 60.65 58.73 1b64 s ILE 50 Cb 0.00 -3.60 0.02 0.00 -1.06 0.00 0.00 42.46 37.82 1b64 s ILE 50 CO 0.00 -0.34 0.42 -0.54 -0.10 0.00 0.00 174.94 174.38 1b64 s LYS 51 N -4.33 1.24 0.11 2.79 3.01 -1.26 -4.14 119.74 117.16 1b64 s LYS 51 Ca 0.44 -0.94 -0.24 0.00 -1.01 0.00 0.00 55.97 54.22 1b64 s LYS 51 Cb -0.10 0.46 -0.07 0.00 -1.01 0.00 0.00 37.83 37.12 1b64 s LYS 51 CO 0.35 -0.50 0.72 0.15 0.51 0.00 0.00 175.35 176.57 1b64 s LYS 52 N -3.89 4.46 -1.08 1.68 1.02 0.47 -4.59 119.74 117.81 1b64 s LYS 52 Ca 0.10 1.02 -0.05 0.00 0.02 0.00 0.00 55.97 57.06 1b64 s LYS 52 Cb 0.01 -3.28 0.30 0.00 -0.52 0.00 0.00 37.83 34.34 1b64 s LYS 52 CO -0.04 0.52 1.37 -0.11 -0.92 0.00 0.00 175.35 176.18 1b64 n LEU 53 N 1.91 6.14 -4.90 3.17 -0.00 -0.60 -3.44 117.00 119.30 1b64 n LEU 53 Ca -0.06 -5.18 -0.34 0.00 -0.00 0.00 0.00 56.01 50.43 1b64 n LEU 53 Cb 0.50 -1.31 -0.05 0.00 -0.00 0.00 0.00 43.42 42.55 1b64 n LEU 53 CO 0.45 1.61 -0.16 -1.58 -0.00 0.00 0.00 177.39 177.71 1b64 s GLN 54 N -2.41 3.44 -0.03 1.96 0.74 -1.23 -0.00 119.66 122.13 1b64 s GLN 54 Ca 0.31 -0.28 -0.17 0.00 0.05 0.00 0.00 55.36 55.27 1b64 s GLN 54 Cb 0.01 -3.12 0.03 0.00 1.10 0.00 0.00 33.01 31.04 1b64 s GLN 54 CO 0.06 0.70 0.37 0.96 -0.55 0.00 0.00 175.29 176.83 1b64 s ILE 55 N -1.26 0.04 0.02 -2.34 -0.00 -0.91 -2.15 121.20 114.60 1b64 s ILE 55 Ca 0.25 -0.36 0.06 0.00 -0.00 0.00 0.00 60.65 60.60 1b64 s ILE 55 Cb -0.12 -0.67 -0.03 0.00 -0.00 0.00 0.00 42.46 41.64 1b64 s ILE 55 CO 0.15 -0.20 -0.18 -1.58 -0.00 0.00 0.00 174.94 173.14 1b64 s GLN 56 N -1.16 2.15 0.02 0.37 0.74 -1.22 -2.82 119.66 117.75 1b64 s GLN 56 Ca -0.12 -0.93 -0.13 0.00 0.05 0.00 0.00 55.36 54.24 1b64 s GLN 56 Cb -0.04 -2.22 0.02 0.00 1.10 0.00 0.00 33.01 31.87 1b64 s GLN 56 CO 0.05 0.56 0.26 0.00 -0.55 0.00 0.00 175.29 175.61 1b64 s VAL 58 N -1.98 3.06 0.80 0.00 1.01 -0.65 -1.68 120.40 120.95 1b64 s VAL 58 Ca -0.09 -3.71 -0.09 0.00 0.00 0.00 0.00 61.98 58.09 1b64 s VAL 58 Cb -0.03 -3.03 0.12 0.00 0.00 0.00 0.00 36.38 33.44 1b64 s VAL 58 CO -0.00 -0.92 1.12 0.68 0.00 0.00 0.00 175.10 175.98 1b64 s VAL 59 N -0.83 2.14 0.89 2.92 -7.23 0.18 -3.54 120.40 114.92 1b64 s VAL 59 Ca 0.21 -0.23 -0.11 0.00 -1.81 0.00 0.00 61.98 60.04 1b64 s VAL 59 Cb -0.15 -2.91 0.18 0.00 0.56 0.00 0.00 36.38 34.06 1b64 s VAL 59 CO -0.08 0.00 1.22 -1.61 -0.31 0.00 0.00 175.10 174.32 1b64 s GLU 60 N -5.45 0.90 0.00 4.82 0.41 -1.25 0.90 118.70 119.03 1b64 s GLU 60 Ca 0.66 -0.70 0.15 0.00 -0.41 0.00 0.00 54.97 54.67 1b64 s GLU 60 Cb -0.08 -2.00 0.20 0.00 -1.78 0.00 0.00 34.13 30.46 1b64 s GLU 60 CO 0.48 -2.15 1.07 -3.47 -0.49 0.00 0.00 175.26 170.70 1b64 n ASP 61 N -3.48 2.51 -0.79 -0.19 -0.08 -0.76 -4.39 116.55 109.37 1b64 n ASP 61 Ca 0.16 -1.72 -0.02 0.00 -1.51 0.00 0.00 54.79 51.70 1b64 n ASP 61 Cb 0.60 -0.08 -0.02 0.00 2.34 0.00 0.00 41.12 43.95 1b64 n ASP 61 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1b64 n ASP 62 N 0.84 -0.23 0.00 1.67 2.03 -1.26 -5.00 116.55 114.59 1b64 n ASP 62 Ca 0.10 -1.59 0.00 0.00 0.52 0.00 0.00 54.79 53.82 1b64 n ASP 62 Cb 0.40 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 1b64 n ASP 62 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1b64 n LYS 63 N 0.06 0.00 -3.85 -0.67 3.00 -1.26 -5.12 118.16 110.32 1b64 n LYS 63 Ca -0.09 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.01 1b64 n LYS 63 Cb 0.67 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.66 1b64 n LYS 63 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1b64 s VAL 64 N -0.14 3.39 0.00 3.15 1.01 -1.26 -4.99 120.40 121.56 1b64 s VAL 64 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.56 1b64 s VAL 64 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1b64 s VAL 64 CO 0.00 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.55 1b64 n GLY 65 N -1.35 1.37 0.12 4.51 0.00 -1.26 -4.25 105.19 104.33 1b64 n GLY 65 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1b64 n GLY 65 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1b64 n THR 66 N 0.00 0.00 -0.29 2.61 -1.04 -1.26 -4.91 114.28 109.38 1b64 n THR 66 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 1b64 n THR 66 Cb 0.00 0.00 0.25 0.00 -1.82 0.00 0.00 70.33 68.76 1b64 n THR 66 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1b64 n ASP 67 N -1.36 -0.10 0.34 8.00 5.75 -1.26 0.49 116.55 128.41 1b64 n ASP 67 Ca 0.00 1.44 -0.16 0.00 -0.01 0.00 0.00 54.79 56.06 1b64 n ASP 67 Cb 0.00 -0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 39.49 1b64 n ASP 67 CO 0.00 0.00 0.00 -0.03 -0.11 0.00 0.00 177.20 177.06 1b64 h MET 68 N 0.00 -0.83 -0.92 0.11 4.05 -1.98 -2.04 114.93 113.32 1b64 h MET 68 Ca 0.51 0.06 0.26 0.00 -0.28 0.00 0.00 59.70 60.25 1b64 h MET 68 Cb 1.05 0.19 -0.14 0.00 -0.80 0.00 0.00 31.60 31.90 1b64 h MET 68 CO -0.80 -0.51 0.38 -0.07 0.23 0.00 0.00 176.91 176.14 1b64 h LEU 69 N -1.05 0.25 0.31 3.39 3.38 -0.31 0.42 115.31 121.71 1b64 h LEU 69 Ca -0.09 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1b64 h LEU 69 Cb 0.70 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1b64 h LEU 69 CO 0.15 -0.10 -0.23 -0.08 0.09 0.00 0.00 178.44 178.26 1b64 h GLU 70 N 0.30 -0.53 0.00 1.13 4.81 -0.23 1.62 114.58 121.68 1b64 h GLU 70 Ca 0.61 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.88 1b64 h GLU 70 Cb 1.27 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1b64 h GLU 70 CO -0.61 -0.35 0.00 0.39 -0.73 0.00 0.00 179.01 177.71 1b64 n GLU 71 N -5.36 0.05 -0.11 1.92 -0.58 0.64 0.30 120.64 117.50 1b64 n GLU 71 Ca -0.09 0.28 -0.20 0.00 -0.42 0.00 0.00 57.16 56.73 1b64 n GLU 71 Cb 0.27 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.56 1b64 n GLU 71 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1b64 n GLN 72 N -1.44 0.55 0.13 3.49 1.13 0.12 -3.49 117.38 117.87 1b64 n GLN 72 Ca 0.03 0.37 -0.07 0.00 -1.94 0.00 0.00 57.00 55.39 1b64 n GLN 72 Cb 0.11 -1.57 -0.03 0.00 0.11 0.00 0.00 30.24 28.86 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 -1.00 0.05 0.00 5.09 2.04 0.24 -3.20 117.51 120.74 1b64 h ILE 73 Ca -0.36 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 1b64 h ILE 73 Cb 1.24 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1b64 h ILE 73 CO -0.22 0.01 -0.00 0.00 0.00 0.00 0.00 178.15 177.94 1b64 h THR 74 N -1.10 0.10 -1.92 -0.27 1.03 -0.30 -2.43 112.91 108.02 1b64 h THR 74 Ca -0.04 -0.01 0.56 0.00 -0.01 0.00 0.00 66.41 66.90 1b64 h THR 74 Cb 0.34 1.01 -0.08 0.00 -1.07 0.00 0.00 68.15 68.35 1b64 h THR 74 CO 0.07 0.00 1.40 0.00 -0.01 0.00 0.00 175.52 176.98 1b64 h ALA 75 N 2.00 3.82 -1.85 0.00 0.00 -1.52 -3.00 119.26 118.71 1b64 h ALA 75 Ca -0.00 -0.07 -0.71 0.00 0.00 0.00 0.00 54.91 54.14 1b64 h ALA 75 Cb 0.01 0.14 -0.18 0.00 0.00 0.00 0.00 17.79 17.77 1b64 h ALA 75 CO 0.00 -2.38 0.99 -0.06 0.00 0.00 0.00 179.25 177.80 1b64 s PHE 76 N -4.85 3.24 -1.54 0.00 0.08 -0.92 -4.79 117.98 109.19 1b64 s PHE 76 Ca -0.05 -1.62 0.21 0.00 0.12 0.00 0.00 56.93 55.58 1b64 s PHE 76 Cb 0.26 -4.29 1.08 0.00 -0.57 0.00 0.00 43.02 39.51 1b64 s PHE 76 CO 0.88 -1.46 1.65 -1.91 -0.10 0.00 0.00 175.22 174.28 1b64 n GLU 77 N 6.26 0.37 -0.64 0.44 2.13 -1.14 0.22 120.64 128.29 1b64 n GLU 77 Ca 0.28 0.07 0.08 0.00 0.66 0.00 0.00 57.16 58.25 1b64 n GLU 77 Cb 0.47 -1.50 0.34 0.00 0.27 0.00 0.00 31.44 31.02 1b64 n GLU 77 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1b64 n ASP 78 N -1.23 4.63 0.00 4.31 2.03 -1.26 -4.46 116.55 120.57 1b64 n ASP 78 Ca 0.11 -2.54 0.00 0.00 0.52 0.00 0.00 54.79 52.88 1b64 n ASP 78 Cb 0.15 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 1b64 n ASP 78 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1b64 n TYR 79 N 0.85 -0.57 -2.87 -0.67 4.01 -0.84 -4.93 117.16 112.13 1b64 n TYR 79 Ca 0.24 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.56 1b64 n TYR 79 Cb 0.91 0.16 -0.04 0.00 -0.31 0.00 0.00 39.34 40.06 1b64 n TYR 79 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1b64 s VAL 80 N -1.31 4.86 0.02 -0.72 1.01 0.13 -0.99 120.40 123.40 1b64 s VAL 80 Ca 0.00 1.66 0.11 0.00 0.00 0.00 0.00 61.98 63.74 1b64 s VAL 80 Cb 0.00 -4.15 -0.18 0.00 0.00 0.00 0.00 36.38 32.05 1b64 s VAL 80 CO 0.00 0.00 1.05 -0.61 0.00 0.00 0.00 175.10 175.54 1b64 h GLN 81 N 7.38 0.00 0.00 2.72 4.15 0.16 -3.42 115.11 126.10 1b64 h GLN 81 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.14 1b64 h GLN 81 Cb 1.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.81 1b64 h GLN 81 CO 0.85 0.71 0.00 0.43 -1.93 0.00 0.00 178.83 178.89 1b64 n SER 82 N -3.19 0.00 -4.85 -0.69 7.64 -1.22 -4.98 113.62 106.33 1b64 n SER 82 Ca -0.06 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.50 1b64 n SER 82 Cb 0.95 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.15 1b64 n SER 82 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1b64 s MET 83 N 0.00 3.56 0.15 1.43 1.75 -1.26 -3.04 119.30 121.89 1b64 s MET 83 Ca 0.00 0.89 -0.01 0.00 -1.25 0.00 0.00 55.69 55.32 1b64 s MET 83 Cb 0.00 -2.08 0.01 0.00 2.84 0.00 0.00 34.83 35.60 1b64 s MET 83 CO 0.00 -0.60 0.22 -0.25 -0.65 0.00 0.00 175.02 173.74 1b64 n ASP 84 N -2.40 -0.60 -4.02 1.11 9.92 -1.22 -4.98 116.55 114.36 1b64 n ASP 84 Ca 0.07 -1.79 -0.27 0.00 -0.53 0.00 0.00 54.79 52.26 1b64 n ASP 84 Cb 0.54 1.11 -0.17 0.00 -0.64 0.00 0.00 41.12 41.96 1b64 n ASP 84 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1b64 s VAL 85 N -2.60 1.33 -0.28 2.53 1.01 -1.26 -3.18 120.40 117.95 1b64 s VAL 85 Ca 0.12 -0.53 0.21 0.00 0.00 0.00 0.00 61.98 61.77 1b64 s VAL 85 Cb -0.01 -1.24 0.11 0.00 0.00 0.00 0.00 36.38 35.25 1b64 s VAL 85 CO 0.09 0.41 1.28 0.00 0.00 0.00 0.00 175.10 176.88 1b64 h ALA 86 N 7.51 0.73 0.00 5.51 0.00 0.06 -3.47 119.26 129.60 1b64 h ALA 86 Ca -0.31 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1b64 h ALA 86 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1b64 h ALA 86 CO 0.47 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.94 1b64 n ALA 87 N -2.19 0.00 -3.62 0.00 0.00 -1.22 -4.98 120.51 108.50 1b64 n ALA 87 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1b64 n ALA 87 Cb 0.61 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.53 1.62 0.17 0.00 2.19 -1.26 -3.22 117.98 115.95 1b64 s PHE 88 Ca 0.00 -2.24 0.02 0.00 0.33 0.00 0.00 56.93 55.03 1b64 s PHE 88 Cb 0.00 -1.55 -0.01 0.00 -1.31 0.00 0.00 43.02 40.15 1b64 s PHE 88 CO 0.00 -0.79 0.18 0.27 1.83 0.00 0.00 175.22 176.71 1b64 n ASN 89 N 3.51 -0.48 -4.80 6.13 6.94 -1.25 -5.11 115.26 120.20 1b64 n ASN 89 Ca 0.13 -2.00 -0.30 0.00 -0.02 0.00 0.00 54.58 52.38 1b64 n ASN 89 Cb 0.37 1.00 0.09 0.00 -2.36 0.00 0.00 39.78 38.87 1b64 n ASN 89 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1b64 s LYS 90 N -2.54 2.12 0.00 -3.83 2.20 -1.26 -2.97 119.74 113.46 1b64 s LYS 90 Ca 0.17 0.70 0.16 0.00 -0.36 0.00 0.00 55.97 56.64 1b64 s LYS 90 Cb 0.00 -1.92 0.12 0.00 -1.51 0.00 0.00 37.83 34.53 1b64 s LYS 90 CO 0.12 -1.61 1.00 1.51 -0.36 0.00 0.00 175.35 176.01