#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b64 s LEU 2 N 0.00 4.31 0.57 4.03 2.34 -1.26 -5.12 118.68 123.54 1b64 s LEU 2 Ca 0.00 0.10 0.06 0.00 0.06 0.00 0.00 54.13 54.35 1b64 s LEU 2 Cb 0.00 -2.89 0.06 0.00 -0.56 0.00 0.00 46.19 42.80 1b64 s LEU 2 CO 0.00 -0.07 0.49 0.54 -1.06 0.00 0.00 176.35 176.25 1b64 s VAL 3 N -1.97 1.62 0.00 1.48 0.11 -1.26 -4.96 120.40 115.42 1b64 s VAL 3 Ca 0.34 -1.41 0.00 0.00 -2.93 0.00 0.00 61.98 57.99 1b64 s VAL 3 Cb -0.09 -2.03 0.00 0.00 -1.53 0.00 0.00 36.38 32.73 1b64 s VAL 3 CO 0.29 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.06 1b64 n ALA 4 N -1.90 -2.32 -2.58 1.54 0.00 -1.26 -4.60 120.51 109.38 1b64 n ALA 4 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.17 1b64 n ALA 4 Cb 0.64 -0.39 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 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 -3.40 2.13 0.23 0.00 -0.14 -1.26 -1.09 119.74 116.21 1b64 s LYS 5 Ca 0.00 -2.10 -0.16 0.00 -1.36 0.00 0.00 55.97 52.34 1b64 s LYS 5 Cb 0.00 -1.75 0.01 0.00 -1.68 0.00 0.00 37.83 34.41 1b64 s LYS 5 CO 0.00 -0.20 0.54 0.45 -0.76 0.00 0.00 175.35 175.38 1b64 s SER 6 N -3.86 -0.19 0.09 2.83 0.15 0.46 -3.96 113.70 109.22 1b64 s SER 6 Ca 0.29 -0.68 0.07 0.00 0.70 0.00 0.00 55.95 56.33 1b64 s SER 6 Cb 0.05 0.61 -0.03 0.00 -1.71 0.00 0.00 66.02 64.94 1b64 s SER 6 CO 0.16 -1.14 -0.17 -0.55 1.20 0.00 0.00 173.24 172.73 1b64 s SER 7 N -2.94 2.10 -0.07 5.45 0.15 -1.06 0.18 113.70 117.52 1b64 s SER 7 Ca 0.14 -0.66 -0.02 0.00 0.70 0.00 0.00 55.95 56.12 1b64 s SER 7 Cb -0.02 -0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.23 1b64 s SER 7 CO 0.04 -0.01 0.03 -0.63 1.20 0.00 0.00 173.24 173.87 1b64 s ILE 8 N -1.25 0.13 -0.50 6.45 1.09 -0.62 -3.37 121.20 123.14 1b64 s ILE 8 Ca 0.02 0.22 -0.26 0.00 -1.10 0.00 0.00 60.65 59.54 1b64 s ILE 8 Cb -0.10 -0.38 0.03 0.00 -1.06 0.00 0.00 42.46 40.96 1b64 s ILE 8 CO 0.03 0.18 0.97 -0.22 -0.10 0.00 0.00 174.94 175.80 1b64 s LEU 9 N 2.07 3.95 0.36 2.97 2.96 -1.24 -2.83 118.68 126.92 1b64 s LEU 9 Ca 0.05 0.03 -0.15 0.00 -0.22 0.00 0.00 54.13 53.83 1b64 s LEU 9 Cb -0.12 -3.13 -0.09 0.00 0.50 0.00 0.00 46.19 43.34 1b64 s LEU 9 CO -0.05 -1.15 0.78 -0.76 -1.32 0.00 0.00 176.35 173.85 1b64 s LEU 10 N 3.97 3.99 -0.35 -0.68 1.02 0.39 -0.07 118.68 126.96 1b64 s LEU 10 Ca 0.37 1.32 0.01 0.00 0.02 0.00 0.00 54.13 55.85 1b64 s LEU 10 Cb -0.10 -4.15 0.11 0.00 0.02 0.00 0.00 46.19 42.07 1b64 s LEU 10 CO 0.25 -0.27 0.13 -1.81 0.02 0.00 0.00 176.35 174.67 1b64 s ASP 11 N -2.42 4.04 0.18 2.29 1.11 -0.59 -1.75 116.67 119.53 1b64 s ASP 11 Ca 0.55 -2.01 0.04 0.00 0.18 0.00 0.00 52.55 51.31 1b64 s ASP 11 Cb -0.10 -1.04 -0.03 0.00 1.07 0.00 0.00 42.92 42.82 1b64 s ASP 11 CO 0.19 -0.37 0.28 -0.69 1.18 0.00 0.00 175.17 175.77 1b64 s VAL 12 N 1.13 5.18 -0.09 -1.27 1.01 -0.44 -1.78 120.40 124.14 1b64 s VAL 12 Ca 0.12 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1b64 s VAL 12 Cb -0.20 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1b64 s VAL 12 CO -0.15 -0.16 -0.17 -0.75 0.00 0.00 0.00 175.10 173.86 1b64 s LYS 13 N -3.43 2.34 0.18 2.72 2.36 -1.22 -0.74 119.74 121.96 1b64 s LYS 13 Ca 0.34 -0.62 -0.30 0.00 -2.55 0.00 0.00 55.97 52.83 1b64 s LYS 13 Cb -0.10 -1.88 -0.08 0.00 -1.05 0.00 0.00 37.83 34.72 1b64 s LYS 13 CO 0.28 0.04 1.12 -1.25 1.55 0.00 0.00 175.35 177.09 1b64 s PRO 14 N 0.67 4.57 0.39 4.03 0.04 -1.26 0.72 135.00 144.16 1b64 s PRO 14 Ca -0.13 1.75 0.21 0.00 0.04 0.00 0.00 61.00 62.87 1b64 s PRO 14 Cb -0.16 -3.27 1.22 0.00 0.04 0.00 0.00 34.50 32.33 1b64 s PRO 14 CO 0.03 0.05 1.66 -1.49 0.04 0.00 0.00 177.00 177.29 1b64 h TRP 15 N 5.11 0.73 -1.43 0.56 -0.00 -0.75 -3.43 115.95 116.74 1b64 h TRP 15 Ca -0.44 0.03 0.06 0.00 -0.00 0.00 0.00 58.89 58.53 1b64 h TRP 15 Cb 1.21 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 30.17 1b64 h TRP 15 CO 0.62 -0.16 0.16 -3.47 -0.00 0.00 0.00 178.44 175.59 1b64 n ASP 16 N -4.86 -0.24 0.27 -3.49 -0.08 -1.26 -4.96 116.55 101.92 1b64 n ASP 16 Ca 0.33 -1.07 0.12 0.00 -1.51 0.00 0.00 54.79 52.66 1b64 n ASP 16 Cb 1.14 0.38 0.74 0.00 2.34 0.00 0.00 41.12 45.72 1b64 n ASP 16 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1b64 h ASP 17 N 0.37 0.00 -0.97 1.67 1.82 -1.86 -1.81 116.42 115.65 1b64 h ASP 17 Ca -0.04 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.61 1b64 h ASP 17 Cb 0.22 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.18 1b64 h ASP 17 CO 0.06 0.10 0.64 1.05 -1.61 0.00 0.00 179.24 179.47 1b64 h GLU 18 N 0.00 1.28 -5.40 0.28 4.11 -1.96 -3.41 114.58 109.47 1b64 h GLU 18 Ca -0.00 -0.08 -0.50 0.00 0.07 0.00 0.00 59.36 58.85 1b64 h GLU 18 Cb 0.24 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1b64 h GLU 18 CO 0.01 0.85 1.66 2.41 0.07 0.00 0.00 179.01 184.01 1b64 n THR 19 N -4.41 -0.02 -1.53 -1.06 -1.04 -0.68 -4.73 114.28 100.80 1b64 n THR 19 Ca 0.11 -0.41 -0.31 0.00 -2.04 0.00 0.00 64.05 61.40 1b64 n THR 19 Cb 0.01 -1.71 -0.09 0.00 -1.82 0.00 0.00 70.33 66.72 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 12.97 1.29 -0.09 8.00 -0.08 -1.26 -4.73 116.55 132.64 1b64 n ASP 20 Ca 0.50 -0.54 0.11 0.00 -1.51 0.00 0.00 54.79 53.35 1b64 n ASP 20 Cb 0.29 -1.32 0.49 0.00 2.34 0.00 0.00 41.12 42.92 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 15.44 0.42 -0.64 -0.67 2.86 -1.87 0.27 114.93 130.74 1b64 h MET 21 Ca -0.11 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1b64 h MET 21 Cb 1.21 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.75 1b64 h MET 21 CO 1.24 0.28 0.29 0.00 1.06 0.00 0.00 176.91 179.78 1b64 h ALA 22 N 1.69 1.30 0.00 6.32 0.00 -1.98 0.96 119.26 127.55 1b64 h ALA 22 Ca 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1b64 h ALA 22 Cb 0.52 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1b64 h ALA 22 CO -0.08 0.54 -0.00 -0.22 0.00 0.00 0.00 179.25 179.49 1b64 h LYS 23 N 0.91 -0.00 -0.68 0.00 1.63 -1.21 0.81 116.57 118.03 1b64 h LYS 23 Ca 0.22 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 60.07 1b64 h LYS 23 Cb 0.13 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 1b64 h LYS 23 CO -0.03 0.85 0.45 1.25 -3.45 0.00 0.00 179.45 178.52 1b64 h LEU 24 N -0.86 0.65 0.22 5.20 6.46 -0.40 1.06 115.31 127.64 1b64 h LEU 24 Ca -0.00 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1b64 h LEU 24 Cb 0.85 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 1b64 h LEU 24 CO 0.00 0.43 -0.11 -0.08 -0.62 0.00 0.00 178.44 178.07 1b64 h GLU 25 N 0.75 -0.29 -0.22 1.25 4.81 0.92 -2.89 114.58 118.92 1b64 h GLU 25 Ca 0.28 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.59 1b64 h GLU 25 Cb 0.18 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 1b64 h GLU 25 CO -0.09 -0.19 -0.16 0.93 -0.73 0.00 0.00 179.01 178.77 1b64 h GLU 26 N -0.81 -0.15 -0.71 1.92 4.39 -0.70 -1.38 114.58 117.14 1b64 h GLU 26 Ca -0.03 0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.80 1b64 h GLU 26 Cb 0.23 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 28.78 1b64 h GLU 26 CO 0.05 -0.10 -0.36 0.00 -1.16 0.00 0.00 179.01 177.44 1b64 h VAL 28 N -0.12 0.75 0.28 0.00 2.07 -1.06 0.13 116.25 118.31 1b64 h VAL 28 Ca 0.26 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1b64 h VAL 28 Cb 0.56 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1b64 h VAL 28 CO -0.77 0.14 -0.14 0.03 0.02 0.00 0.00 177.57 176.85 1b64 h ARG 29 N 0.76 -0.36 -0.98 1.57 3.08 0.29 -3.18 114.38 115.56 1b64 h ARG 29 Ca 0.54 0.02 0.28 0.00 0.07 0.00 0.00 59.98 60.89 1b64 h ARG 29 Cb 0.85 0.08 -0.14 0.00 0.08 0.00 0.00 29.97 30.84 1b64 h ARG 29 CO -0.32 -0.03 0.52 0.66 -1.07 0.00 0.00 179.97 179.74 1b64 h SER 30 N -0.91 0.49 -1.86 7.04 4.64 0.24 -3.40 113.55 119.79 1b64 h SER 30 Ca -0.04 0.17 -0.65 0.00 -0.47 0.00 0.00 61.79 60.80 1b64 h SER 30 Cb 0.51 0.12 0.05 0.00 -0.31 0.00 0.00 62.40 62.77 1b64 h SER 30 CO 0.06 -0.05 0.56 -0.38 -0.87 0.00 0.00 176.83 176.16 1b64 n ILE 31 N -5.02 0.01 -4.27 0.95 5.41 0.38 -4.96 119.36 111.85 1b64 n ILE 31 Ca 0.28 -0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.88 1b64 n ILE 31 Cb 0.84 -1.04 -0.10 0.00 -0.71 0.00 0.00 39.64 38.63 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 0.66 1.24 -0.06 0.38 0.74 -1.26 -4.96 119.66 116.40 1b64 s GLN 32 Ca 0.83 -1.64 -0.31 0.00 0.05 0.00 0.00 55.36 54.28 1b64 s GLN 32 Cb -0.87 -0.20 0.12 0.00 1.10 0.00 0.00 33.01 33.16 1b64 s GLN 32 CO 0.44 -0.23 1.19 0.00 -0.55 0.00 0.00 175.29 176.14 1b64 s ALA 33 N -3.76 -2.08 0.29 1.58 0.00 -1.26 -5.06 121.76 111.47 1b64 s ALA 33 Ca 0.31 0.99 -0.29 0.00 0.00 0.00 0.00 51.96 52.98 1b64 s ALA 33 Cb 0.07 0.22 -0.10 0.00 0.00 0.00 0.00 23.12 23.31 1b64 s ALA 33 CO 0.09 -0.85 1.27 0.34 0.00 0.00 0.00 175.76 176.60 1b64 s ASP 34 N -2.64 6.90 -0.96 0.00 -1.08 -1.26 -2.09 116.67 115.54 1b64 s ASP 34 Ca 0.11 2.54 0.00 0.00 -0.52 0.00 0.00 52.55 54.68 1b64 s ASP 34 Cb 0.02 -2.64 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 1b64 s ASP 34 CO -0.04 -0.45 0.00 0.61 0.52 0.00 0.00 175.17 175.81 1b64 n GLY 35 N 1.24 0.86 3.71 2.66 0.00 -1.26 -4.90 105.19 107.51 1b64 n GLY 35 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.12 4.09 -0.08 0.99 2.96 -0.89 -4.13 118.68 119.50 1b64 s LEU 36 Ca 0.00 0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 1b64 s LEU 36 Cb 0.00 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.66 1b64 s LEU 36 CO 0.00 0.19 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.44 1b64 s VAL 37 N 0.28 1.01 -0.18 1.68 1.01 -1.11 -4.64 120.40 118.45 1b64 s VAL 37 Ca 0.07 -0.35 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 1b64 s VAL 37 Cb -0.11 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1b64 s VAL 37 CO -0.01 0.34 0.54 0.26 0.00 0.00 0.00 175.10 176.23 1b64 s TRP 38 N 1.11 3.41 0.00 5.22 0.23 -1.26 0.19 118.94 127.83 1b64 s TRP 38 Ca -0.07 0.85 0.00 0.00 -2.03 0.00 0.00 56.10 54.86 1b64 s TRP 38 Cb -0.14 -2.68 0.00 0.00 0.03 0.00 0.00 33.47 30.68 1b64 s TRP 38 CO -0.01 -0.05 0.00 0.41 0.96 0.00 0.00 176.95 178.26 1b64 n GLY 39 N 3.70 1.65 3.55 0.98 0.00 -0.66 -4.86 105.19 109.56 1b64 n GLY 39 Ca -0.04 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 1b64 n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b64 s SER 40 N -1.00 5.34 0.70 1.61 0.01 -1.26 -4.81 113.70 114.28 1b64 s SER 40 Ca 0.00 -0.05 -0.07 0.00 1.31 0.00 0.00 55.95 57.14 1b64 s SER 40 Cb 0.00 -1.92 0.05 0.00 0.21 0.00 0.00 66.02 64.36 1b64 s SER 40 CO 0.00 0.10 1.02 -0.94 0.41 0.00 0.00 173.24 173.83 1b64 s SER 41 N 0.78 4.93 0.12 2.44 1.04 -1.26 -3.48 113.70 118.27 1b64 s SER 41 Ca 0.03 0.57 0.04 0.00 0.48 0.00 0.00 55.95 57.06 1b64 s SER 41 Cb -0.14 -1.26 -0.04 0.00 0.10 0.00 0.00 66.02 64.68 1b64 s SER 41 CO 0.02 -1.54 -0.10 -0.54 0.98 0.00 0.00 173.24 172.07 1b64 s LYS 42 N -5.25 0.93 0.11 4.02 1.02 -0.55 -4.88 119.74 115.15 1b64 s LYS 42 Ca 0.59 -1.30 0.10 0.00 0.02 0.00 0.00 55.97 55.38 1b64 s LYS 42 Cb -0.11 -0.53 -0.04 0.00 -0.52 0.00 0.00 37.83 36.63 1b64 s LYS 42 CO 0.46 0.07 -0.24 -0.51 -0.92 0.00 0.00 175.35 174.20 1b64 s LEU 43 N -2.82 2.30 -0.25 3.17 2.01 -1.26 -2.98 118.68 118.85 1b64 s LEU 43 Ca 0.11 -0.71 -0.06 0.00 0.01 0.00 0.00 54.13 53.48 1b64 s LEU 43 Cb 0.00 -1.06 0.12 0.00 0.01 0.00 0.00 46.19 45.27 1b64 s LEU 43 CO -0.00 0.12 0.50 -0.69 1.01 0.00 0.00 176.35 177.29 1b64 s VAL 44 N -1.09 -0.78 0.29 -1.59 1.01 -1.25 -4.98 120.40 112.00 1b64 s VAL 44 Ca 0.10 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 1b64 s VAL 44 Cb -0.10 -0.83 -0.09 0.00 0.00 0.00 0.00 36.38 35.36 1b64 s VAL 44 CO 0.05 0.00 1.08 -2.16 0.00 0.00 0.00 175.10 174.07 1b64 s PRO 45 N 2.71 4.63 0.34 2.72 0.04 -1.26 0.19 135.00 144.36 1b64 s PRO 45 Ca 0.04 1.74 0.07 0.00 0.04 0.00 0.00 61.00 62.90 1b64 s PRO 45 Cb -0.13 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 1b64 s PRO 45 CO -0.16 0.22 0.27 0.54 0.04 0.00 0.00 177.00 177.91 1b64 s VAL 46 N -1.21 0.03 0.00 -0.36 0.11 -0.98 -4.85 120.40 113.14 1b64 s VAL 46 Ca 0.45 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.50 1b64 s VAL 46 Cb -0.30 -2.49 0.00 0.00 -1.53 0.00 0.00 36.38 32.06 1b64 s VAL 46 CO 0.39 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.77 1b64 n GLY 47 N -0.64 2.06 2.73 6.54 0.00 -1.26 -3.82 105.19 110.80 1b64 n GLY 47 Ca 0.07 0.23 -0.19 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 -0.30 0.00 1.61 1.13 -1.26 -4.85 117.35 113.68 1b64 s TYR 48 Ca 0.00 -0.05 0.00 0.00 -1.41 0.00 0.00 57.07 55.61 1b64 s TYR 48 Cb 0.00 -0.45 0.00 0.00 -1.10 0.00 0.00 41.96 40.41 1b64 s TYR 48 CO 0.00 -0.77 0.00 0.41 -2.51 0.00 0.00 175.55 172.68 1b64 n GLY 49 N 5.31 3.08 3.91 5.49 0.00 -1.26 -5.03 105.19 116.70 1b64 n GLY 49 Ca -0.04 0.00 -0.27 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 -2.42 4.38 0.15 -0.61 1.09 -1.25 -4.78 121.20 117.77 1b64 s ILE 50 Ca 0.00 0.10 -0.01 0.00 -1.10 0.00 0.00 60.65 59.64 1b64 s ILE 50 Cb 0.00 -3.69 -0.04 0.00 -1.06 0.00 0.00 42.46 37.67 1b64 s ILE 50 CO 0.00 -0.68 0.07 -0.54 -0.10 0.00 0.00 174.94 173.69 1b64 s LYS 51 N -4.83 1.01 0.04 2.79 3.01 -1.26 -2.31 119.74 118.18 1b64 s LYS 51 Ca 0.50 -1.49 -0.15 0.00 -1.01 0.00 0.00 55.97 53.82 1b64 s LYS 51 Cb -0.10 0.20 -0.06 0.00 -1.01 0.00 0.00 37.83 36.85 1b64 s LYS 51 CO 0.45 -0.28 0.44 0.21 0.51 0.00 0.00 175.35 176.68 1b64 s LYS 52 N -4.06 3.94 -1.01 1.68 2.20 0.49 -4.32 119.74 118.66 1b64 s LYS 52 Ca 0.27 0.43 -0.03 0.00 -0.36 0.00 0.00 55.97 56.29 1b64 s LYS 52 Cb 0.07 -3.17 0.29 0.00 -1.51 0.00 0.00 37.83 33.52 1b64 s LYS 52 CO 0.04 0.65 1.32 -0.11 -0.36 0.00 0.00 175.35 176.89 1b64 n LEU 53 N 1.58 5.88 -4.84 5.43 -0.00 0.08 -3.80 117.00 121.33 1b64 n LEU 53 Ca -0.12 -5.23 -0.38 0.00 -0.00 0.00 0.00 56.01 50.28 1b64 n LEU 53 Cb 0.52 -1.20 -0.06 0.00 -0.00 0.00 0.00 43.42 42.68 1b64 n LEU 53 CO 0.39 1.71 0.08 -1.58 -0.00 0.00 0.00 177.39 177.99 1b64 s GLN 54 N -2.56 3.88 0.17 1.96 0.74 -1.16 -1.33 119.66 121.36 1b64 s GLN 54 Ca 0.32 0.37 -0.06 0.00 0.05 0.00 0.00 55.36 56.04 1b64 s GLN 54 Cb 0.04 -3.22 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 1b64 s GLN 54 CO 0.06 0.70 0.21 0.96 -0.55 0.00 0.00 175.29 176.67 1b64 s ILE 55 N -1.08 0.06 0.03 -2.34 -0.00 -0.72 -1.48 121.20 115.68 1b64 s ILE 55 Ca 0.23 -1.65 0.05 0.00 -0.00 0.00 0.00 60.65 59.28 1b64 s ILE 55 Cb -0.16 -2.05 -0.02 0.00 -0.00 0.00 0.00 42.46 40.23 1b64 s ILE 55 CO 0.13 -0.27 -0.15 -1.58 -0.00 0.00 0.00 174.94 173.07 1b64 s GLN 56 N -4.03 1.00 0.14 0.37 0.74 -1.23 -0.46 119.66 116.20 1b64 s GLN 56 Ca 0.23 -0.74 0.01 0.00 0.05 0.00 0.00 55.36 54.92 1b64 s GLN 56 Cb 0.05 -1.02 -0.04 0.00 1.10 0.00 0.00 33.01 33.10 1b64 s GLN 56 CO 0.03 0.26 -0.01 0.00 -0.55 0.00 0.00 175.29 175.02 1b64 s VAL 58 N -3.70 2.08 0.83 0.00 1.01 0.49 -1.59 120.40 119.52 1b64 s VAL 58 Ca 0.20 -3.41 -0.09 0.00 0.00 0.00 0.00 61.98 58.67 1b64 s VAL 58 Cb 0.06 -2.40 0.14 0.00 0.00 0.00 0.00 36.38 34.18 1b64 s VAL 58 CO 0.01 -0.97 1.15 0.68 0.00 0.00 0.00 175.10 175.97 1b64 s VAL 59 N -0.54 2.10 0.30 2.92 -7.23 0.48 -2.76 120.40 115.66 1b64 s VAL 59 Ca 0.23 -0.24 -0.04 0.00 -1.81 0.00 0.00 61.98 60.12 1b64 s VAL 59 Cb -0.13 -2.86 0.07 0.00 0.56 0.00 0.00 36.38 34.02 1b64 s VAL 59 CO -0.10 0.00 0.41 -0.62 -0.31 0.00 0.00 175.10 174.49 1b64 n GLU 60 N -3.29 -0.21 0.08 4.82 -0.58 -1.16 0.18 120.64 120.48 1b64 n GLU 60 Ca 0.13 -0.75 -0.04 0.00 -0.42 0.00 0.00 57.16 56.08 1b64 n GLU 60 Cb 0.60 -0.39 -0.02 0.00 -0.57 0.00 0.00 31.44 31.06 1b64 n GLU 60 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1b64 h ASP 61 N -0.48 -0.22 0.00 1.62 1.82 -1.36 -3.35 116.42 114.45 1b64 h ASP 61 Ca -0.13 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1b64 h ASP 61 Cb 0.40 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.47 1b64 h ASP 61 CO 0.11 0.10 -0.23 -0.67 -1.61 0.00 0.00 179.24 176.94 1b64 n ASP 62 N -4.16 0.88 -0.05 2.28 -0.08 -1.26 -4.84 116.55 109.32 1b64 n ASP 62 Ca -0.03 -2.18 -0.02 0.00 -1.51 0.00 0.00 54.79 51.05 1b64 n ASP 62 Cb 0.10 -0.22 -0.01 0.00 2.34 0.00 0.00 41.12 43.34 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 0.00 0.00 -4.63 -0.67 3.64 -1.93 -3.48 116.57 109.50 1b64 h LYS 63 Ca 0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1b64 h LYS 63 Cb 1.14 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.72 1b64 h LYS 63 CO 0.00 0.00 -0.75 0.54 -2.27 0.00 0.00 179.45 176.97 1b64 s VAL 64 N -1.68 0.61 0.25 2.00 0.11 -1.26 -4.99 120.40 115.43 1b64 s VAL 64 Ca -0.05 -0.82 0.03 0.00 -2.93 0.00 0.00 61.98 58.20 1b64 s VAL 64 Cb 0.01 -0.61 -0.01 0.00 -1.53 0.00 0.00 36.38 34.24 1b64 s VAL 64 CO 0.08 -0.17 0.11 0.61 -3.33 0.00 0.00 175.10 172.40 1b64 n GLY 65 N 1.96 3.52 2.44 6.54 0.00 -1.26 -2.97 105.19 115.42 1b64 n GLY 65 Ca -0.19 -2.00 -0.22 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.54 2.70 -0.01 2.61 -1.04 -1.26 -3.93 114.28 112.82 1b64 n THR 66 Ca -0.02 -1.56 -0.03 0.00 -2.04 0.00 0.00 64.05 60.40 1b64 n THR 66 Cb 0.38 -2.15 -0.01 0.00 -1.82 0.00 0.00 70.33 66.73 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 3.70 1.19 -0.19 8.00 5.75 -1.26 -4.34 116.55 129.40 1b64 n ASP 67 Ca 0.47 0.18 -0.09 0.00 -0.01 0.00 0.00 54.79 55.35 1b64 n ASP 67 Cb 0.27 -0.45 0.01 0.00 -1.03 0.00 0.00 41.12 39.92 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 -0.34 0.86 -0.65 0.11 4.05 -1.99 -1.14 114.93 115.83 1b64 h MET 68 Ca 0.00 -0.21 0.04 0.00 -0.28 0.00 0.00 59.70 59.25 1b64 h MET 68 Cb 0.34 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 30.99 1b64 h MET 68 CO 0.00 0.82 0.38 -0.07 0.23 0.00 0.00 176.91 178.27 1b64 h LEU 69 N 0.76 0.61 0.70 3.39 3.38 -1.85 0.42 115.31 122.71 1b64 h LEU 69 Ca 0.17 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1b64 h LEU 69 Cb 0.34 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1b64 h LEU 69 CO 0.00 0.41 -0.34 -0.08 0.09 0.00 0.00 178.44 178.53 1b64 h GLU 70 N 0.74 -0.91 0.00 1.13 4.81 -1.69 1.64 114.58 120.31 1b64 h GLU 70 Ca 0.27 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1b64 h GLU 70 Cb 0.08 0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1b64 h GLU 70 CO -0.13 -0.58 0.08 0.39 -0.73 0.00 0.00 179.01 178.04 1b64 n GLU 71 N -5.46 0.10 -0.12 1.92 -0.58 -0.46 0.19 120.64 116.23 1b64 n GLU 71 Ca -0.13 0.58 -0.27 0.00 -0.42 0.00 0.00 57.16 56.92 1b64 n GLU 71 Cb 0.39 -1.91 -0.11 0.00 -0.57 0.00 0.00 31.44 29.24 1b64 n GLU 71 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1b64 n GLN 72 N -2.03 0.60 0.03 3.49 -0.06 0.11 -3.35 117.38 116.17 1b64 n GLN 72 Ca -0.01 0.32 -0.11 0.00 -2.00 0.00 0.00 57.00 55.19 1b64 n GLN 72 Cb 0.11 -1.56 -0.08 0.00 -4.06 0.00 0.00 30.24 24.64 1b64 n GLN 72 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 1b64 h ILE 73 N -0.84 1.01 0.00 1.69 2.04 0.34 -3.04 117.51 118.70 1b64 h ILE 73 Ca -0.60 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.04 1b64 h ILE 73 Cb 1.60 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1b64 h ILE 73 CO -0.32 0.26 0.00 0.35 0.00 0.00 0.00 178.15 178.44 1b64 n THR 74 N -4.89 0.17 0.26 -0.27 -2.24 0.52 -2.70 114.28 105.13 1b64 n THR 74 Ca -0.08 0.04 0.08 0.00 -2.27 0.00 0.00 64.05 61.83 1b64 n THR 74 Cb 0.28 -0.72 0.40 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.12 1.32 -3.51 6.98 0.00 -1.15 -3.94 120.51 119.09 1b64 n ALA 75 Ca 0.13 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 1b64 n ALA 75 Cb 0.11 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 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 -3.28 3.61 -1.55 0.00 0.08 -1.10 -4.85 117.98 110.89 1b64 s PHE 76 Ca 0.02 -2.35 0.30 0.00 0.12 0.00 0.00 56.93 55.02 1b64 s PHE 76 Cb 0.06 -3.53 1.51 0.00 -0.57 0.00 0.00 43.02 40.49 1b64 s PHE 76 CO 0.23 -0.92 2.04 0.39 -0.10 0.00 0.00 175.22 176.86 1b64 n GLU 77 N 3.69 0.56 -0.49 0.44 -0.58 -1.25 -0.85 120.64 122.15 1b64 n GLU 77 Ca 0.12 -0.05 0.08 0.00 -0.42 0.00 0.00 57.16 56.89 1b64 n GLU 77 Cb 0.43 -1.50 0.30 0.00 -0.57 0.00 0.00 31.44 30.09 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 -1.17 3.95 0.00 1.62 2.03 -1.26 -4.42 116.55 117.30 1b64 n ASP 78 Ca 0.16 -2.32 0.00 0.00 0.52 0.00 0.00 54.79 53.15 1b64 n ASP 78 Cb 0.23 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 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 0.97 -0.47 -2.97 -0.67 4.02 -1.12 -4.99 117.16 111.92 1b64 n TYR 79 Ca 0.21 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.70 1b64 n TYR 79 Cb 0.73 0.25 -0.04 0.00 -0.02 0.00 0.00 39.34 40.25 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 -1.49 4.91 -0.01 -0.72 1.01 -0.03 -0.04 120.40 124.02 1b64 s VAL 80 Ca 0.00 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1b64 s VAL 80 Cb 0.00 -4.11 -0.26 0.00 0.00 0.00 0.00 36.38 32.01 1b64 s VAL 80 CO 0.00 0.28 0.79 -0.61 0.00 0.00 0.00 175.10 175.56 1b64 h GLN 81 N 6.39 0.18 0.00 2.72 4.15 0.03 -3.42 115.11 125.16 1b64 h GLN 81 Ca -0.42 -0.31 0.00 0.00 0.77 0.00 0.00 58.65 58.69 1b64 h GLN 81 Cb 1.20 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.01 1b64 h GLN 81 CO 0.74 0.99 0.00 0.43 -1.93 0.00 0.00 178.83 179.06 1b64 n SER 82 N -3.36 0.00 -4.86 -0.69 7.64 -1.24 -5.01 113.62 106.09 1b64 n SER 82 Ca -0.17 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.39 1b64 n SER 82 Cb 1.04 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.19 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 3.88 0.11 1.43 1.75 -1.26 -3.38 119.30 121.83 1b64 s MET 83 Ca 0.00 0.48 -0.02 0.00 -1.25 0.00 0.00 55.69 54.90 1b64 s MET 83 Cb 0.00 -2.49 0.01 0.00 2.84 0.00 0.00 34.83 35.19 1b64 s MET 83 CO 0.00 0.16 0.19 -0.25 -0.65 0.00 0.00 175.02 174.47 1b64 n ASP 84 N -0.56 -0.55 -4.66 1.11 8.00 -0.73 -4.99 116.55 114.17 1b64 n ASP 84 Ca 0.02 -1.52 -0.35 0.00 0.71 0.00 0.00 54.79 53.65 1b64 n ASP 84 Cb 0.53 0.95 -0.10 0.00 -0.02 0.00 0.00 41.12 42.48 1b64 n ASP 84 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1b64 s VAL 85 N -2.64 4.20 -0.12 2.53 0.11 -1.26 -1.54 120.40 121.68 1b64 s VAL 85 Ca 0.07 -0.29 0.20 0.00 -2.93 0.00 0.00 61.98 59.02 1b64 s VAL 85 Cb -0.01 -2.76 -0.26 0.00 -1.53 0.00 0.00 36.38 31.82 1b64 s VAL 85 CO 0.05 0.60 0.39 0.00 -3.33 0.00 0.00 175.10 172.82 1b64 n ALA 86 N 2.16 2.17 0.00 1.54 0.00 0.91 -4.73 120.51 122.55 1b64 n ALA 86 Ca -0.18 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1b64 n ALA 86 Cb 0.53 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.46 0.00 -3.37 0.00 0.00 -1.16 -4.98 120.51 108.53 1b64 n ALA 87 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 1b64 n ALA 87 Cb 0.83 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.65 0.13 0.00 2.19 -1.26 -3.62 117.98 112.77 1b64 s PHE 88 Ca 0.00 0.11 -0.04 0.00 0.33 0.00 0.00 56.93 57.33 1b64 s PHE 88 Cb 0.00 -0.31 -0.03 0.00 -1.31 0.00 0.00 43.02 41.37 1b64 s PHE 88 CO 0.00 -0.90 0.12 1.21 1.83 0.00 0.00 175.22 177.48 1b64 s ASN 89 N 2.43 0.23 0.31 6.13 2.47 -1.22 -5.10 114.94 120.20 1b64 s ASN 89 Ca 0.10 -1.08 -0.21 0.00 0.42 0.00 0.00 52.86 52.09 1b64 s ASN 89 Cb -0.14 0.33 -0.09 0.00 -1.45 0.00 0.00 41.25 39.90 1b64 s ASN 89 CO -0.29 -0.77 0.83 -1.59 -3.72 0.00 0.00 177.10 171.56 1b64 s LYS 90 N -4.01 4.29 0.00 0.43 -2.85 -1.26 -2.56 119.74 113.77 1b64 s LYS 90 Ca 0.20 1.00 0.00 0.00 -1.00 0.00 0.00 55.97 56.18 1b64 s LYS 90 Cb 0.06 -2.64 0.00 0.00 -2.06 0.00 0.00 37.83 33.19 1b64 s LYS 90 CO 0.00 0.24 0.00 -0.89 0.10 0.00 0.00 175.35 174.80