#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 1.31 -3.93 4.03 0.00 -1.26 -4.84 117.00 112.31 1b64 n LEU 2 Ca 0.00 0.51 -0.09 0.00 0.00 0.00 0.00 56.01 56.42 1b64 n LEU 2 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 43.42 42.33 1b64 n LEU 2 CO 0.00 -0.77 0.33 0.54 0.00 0.00 0.00 177.39 177.49 1b64 s VAL 3 N 6.89 0.00 0.00 1.96 0.11 -1.26 -5.07 120.40 123.04 1b64 s VAL 3 Ca 1.16 -1.24 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1b64 s VAL 3 Cb -1.19 -2.35 0.00 0.00 -1.53 0.00 0.00 36.38 31.31 1b64 s VAL 3 CO 0.57 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.34 1b64 n ALA 4 N -0.46 -2.38 -2.42 1.54 0.00 -1.26 -4.32 120.51 111.21 1b64 n ALA 4 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.20 1b64 n ALA 4 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.67 3.09 0.30 0.00 -0.14 -1.26 -1.40 119.74 119.67 1b64 s LYS 5 Ca 0.00 -0.84 -0.17 0.00 -1.36 0.00 0.00 55.97 53.60 1b64 s LYS 5 Cb 0.00 -2.73 0.02 0.00 -1.68 0.00 0.00 37.83 33.44 1b64 s LYS 5 CO 0.00 -0.05 0.66 -1.12 -0.76 0.00 0.00 175.35 174.08 1b64 s SER 6 N -4.19 -0.10 0.08 2.83 0.01 0.11 -4.46 113.70 107.97 1b64 s SER 6 Ca 0.46 -0.84 0.08 0.00 1.31 0.00 0.00 55.95 56.97 1b64 s SER 6 Cb -0.10 0.72 -0.04 0.00 0.21 0.00 0.00 66.02 66.81 1b64 s SER 6 CO 0.33 -1.36 -0.20 -0.55 0.41 0.00 0.00 173.24 171.87 1b64 s SER 7 N -2.99 3.71 -0.09 2.44 0.15 -0.95 -1.87 113.70 114.10 1b64 s SER 7 Ca 0.16 -0.53 -0.04 0.00 0.70 0.00 0.00 55.95 56.24 1b64 s SER 7 Cb -0.04 -0.51 0.04 0.00 -1.71 0.00 0.00 66.02 63.80 1b64 s SER 7 CO 0.09 0.22 0.19 -0.63 1.20 0.00 0.00 173.24 174.31 1b64 s ILE 8 N -1.01 -0.07 -0.37 6.45 1.09 -1.06 -3.25 121.20 122.98 1b64 s ILE 8 Ca 0.15 0.18 -0.12 0.00 -1.10 0.00 0.00 60.65 59.76 1b64 s ILE 8 Cb -0.10 -0.31 0.02 0.00 -1.06 0.00 0.00 42.46 41.00 1b64 s ILE 8 CO 0.07 0.07 0.23 -0.22 -0.10 0.00 0.00 174.94 174.99 1b64 s LEU 9 N 1.32 4.73 -0.09 2.97 2.96 -1.18 -3.30 118.68 126.10 1b64 s LEU 9 Ca -0.08 -0.87 -0.05 0.00 -0.22 0.00 0.00 54.13 52.91 1b64 s LEU 9 Cb -0.11 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1b64 s LEU 9 CO -0.07 -0.37 0.12 -0.76 -1.32 0.00 0.00 176.35 173.95 1b64 s LEU 10 N 1.61 4.21 -0.24 -0.68 1.02 -1.05 0.19 118.68 123.74 1b64 s LEU 10 Ca 0.03 0.37 -0.00 0.00 0.02 0.00 0.00 54.13 54.55 1b64 s LEU 10 Cb -0.19 -2.13 0.07 0.00 0.02 0.00 0.00 46.19 43.96 1b64 s LEU 10 CO 0.08 0.37 0.00 -0.62 0.02 0.00 0.00 176.35 176.20 1b64 s ASP 11 N -1.22 3.67 -0.16 2.29 -1.08 -1.16 -2.12 116.67 116.89 1b64 s ASP 11 Ca 0.17 -1.21 -0.04 0.00 -0.52 0.00 0.00 52.55 50.95 1b64 s ASP 11 Cb -0.12 -1.00 -0.03 0.00 -1.46 0.00 0.00 42.92 40.32 1b64 s ASP 11 CO 0.07 -0.29 -0.02 0.68 0.52 0.00 0.00 175.17 176.13 1b64 s VAL 12 N 1.53 4.05 0.04 1.11 -7.23 -0.99 -2.76 120.40 116.14 1b64 s VAL 12 Ca -0.01 -0.30 -0.20 0.00 -1.81 0.00 0.00 61.98 59.66 1b64 s VAL 12 Cb -0.18 -2.79 -0.06 0.00 0.56 0.00 0.00 36.38 33.91 1b64 s VAL 12 CO -0.10 0.48 0.59 -0.75 -0.31 0.00 0.00 175.10 175.01 1b64 s LYS 13 N 0.43 4.27 0.34 4.82 2.20 -0.92 -2.43 119.74 128.45 1b64 s LYS 13 Ca -0.02 0.75 -0.27 0.00 -0.36 0.00 0.00 55.97 56.07 1b64 s LYS 13 Cb -0.14 -3.29 -0.09 0.00 -1.51 0.00 0.00 37.83 32.80 1b64 s LYS 13 CO 0.02 0.51 1.07 -1.25 -0.36 0.00 0.00 175.35 175.34 1b64 s PRO 14 N -0.66 4.39 0.64 4.03 0.04 -1.26 0.81 135.00 142.99 1b64 s PRO 14 Ca 0.30 1.64 0.31 0.00 0.04 0.00 0.00 61.00 63.30 1b64 s PRO 14 Cb -0.19 -2.85 1.71 0.00 0.04 0.00 0.00 34.50 33.21 1b64 s PRO 14 CO 0.18 0.03 2.00 -1.49 0.04 0.00 0.00 177.00 177.77 1b64 h TRP 15 N 3.13 0.00 0.00 0.56 -0.00 0.13 -3.40 115.95 116.36 1b64 h TRP 15 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.42 1b64 h TRP 15 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.37 1b64 h TRP 15 CO 0.58 0.00 0.00 -3.47 -0.00 0.00 0.00 178.44 175.55 1b64 n ASP 16 N -3.19 0.00 -0.63 -3.49 -0.08 -1.26 -4.93 116.55 102.97 1b64 n ASP 16 Ca 0.00 0.00 0.49 0.00 -1.51 0.00 0.00 54.79 53.77 1b64 n ASP 16 Cb 0.38 0.00 0.79 0.00 2.34 0.00 0.00 41.12 44.63 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 0.00 0.05 -0.06 1.67 3.58 -1.87 1.25 116.42 121.04 1b64 h ASP 17 Ca 0.00 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.51 1b64 h ASP 17 Cb 0.00 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.06 1b64 h ASP 17 CO 0.00 -0.05 -0.08 1.05 -2.88 0.00 0.00 179.24 177.27 1b64 h GLU 18 N 0.01 -0.11 -5.16 0.28 4.11 -1.92 -3.41 114.58 108.37 1b64 h GLU 18 Ca 0.90 0.01 -0.54 0.00 0.07 0.00 0.00 59.36 59.79 1b64 h GLU 18 Cb 3.46 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 32.65 1b64 h GLU 18 CO -0.11 -0.07 1.68 2.41 0.07 0.00 0.00 179.01 182.99 1b64 n THR 19 N -5.22 0.00 -1.53 -1.06 -1.04 0.43 -4.64 114.28 101.23 1b64 n THR 19 Ca -0.05 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.60 1b64 n THR 19 Cb 0.14 -0.50 -0.09 0.00 -1.82 0.00 0.00 70.33 68.06 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 9.98 1.36 0.25 8.00 -0.08 -1.26 -4.72 116.55 130.09 1b64 n ASP 20 Ca 0.64 -0.27 0.17 0.00 -1.51 0.00 0.00 54.79 53.82 1b64 n ASP 20 Cb 0.02 -1.29 0.79 0.00 2.34 0.00 0.00 41.12 42.98 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 16.05 0.00 0.02 -0.67 2.86 -1.86 0.18 114.93 131.51 1b64 h MET 21 Ca -0.15 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.29 1b64 h MET 21 Cb 1.27 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 1b64 h MET 21 CO 1.26 0.00 -0.96 0.00 1.06 0.00 0.00 176.91 178.27 1b64 h ALA 22 N 2.05 0.42 0.12 6.32 0.00 -1.98 -0.73 119.26 125.47 1b64 h ALA 22 Ca 0.00 -0.82 -0.33 0.00 0.00 0.00 0.00 54.91 53.77 1b64 h ALA 22 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1b64 h ALA 22 CO 0.00 1.06 -1.70 -0.22 0.00 0.00 0.00 179.25 178.39 1b64 h LYS 23 N 0.04 0.26 -0.48 0.00 3.11 -1.64 -1.99 116.57 115.88 1b64 h LYS 23 Ca -0.04 -0.45 -0.11 0.00 -2.81 0.00 0.00 60.65 57.25 1b64 h LYS 23 Cb 1.65 0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 33.04 1b64 h LYS 23 CO 0.14 1.12 -0.11 1.25 -2.81 0.00 0.00 179.45 179.03 1b64 h LEU 24 N 0.07 0.93 0.09 5.20 6.46 -0.74 0.38 115.31 127.70 1b64 h LEU 24 Ca -0.31 -0.36 -0.00 0.00 -0.12 0.00 0.00 57.88 57.09 1b64 h LEU 24 Cb 2.04 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 41.72 1b64 h LEU 24 CO 0.14 1.08 -0.04 -0.08 -0.62 0.00 0.00 178.44 178.92 1b64 h GLU 25 N 0.78 -0.11 0.45 1.25 4.81 -1.25 -2.02 114.58 118.49 1b64 h GLU 25 Ca 0.12 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1b64 h GLU 25 Cb 0.67 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1b64 h GLU 25 CO 0.05 0.40 -0.29 0.93 -0.73 0.00 0.00 179.01 179.37 1b64 h GLU 26 N -0.73 -0.69 -0.43 1.92 4.39 -1.37 -1.50 114.58 116.17 1b64 h GLU 26 Ca -0.01 0.05 0.09 0.00 0.34 0.00 0.00 59.36 59.82 1b64 h GLU 26 Cb 0.57 0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 29.28 1b64 h GLU 26 CO 0.02 -0.46 -0.29 0.00 -1.16 0.00 0.00 179.01 177.12 1b64 h VAL 28 N -0.20 0.49 -0.04 0.00 2.07 -1.04 1.01 116.25 118.53 1b64 h VAL 28 Ca 0.19 -0.15 -0.20 0.00 0.82 0.00 0.00 66.70 67.36 1b64 h VAL 28 Cb 0.51 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1b64 h VAL 28 CO -0.55 0.08 -0.83 -0.09 0.02 0.00 0.00 177.57 176.20 1b64 h ARG 29 N 0.45 0.38 0.00 1.57 2.43 0.15 -3.02 114.38 116.33 1b64 h ARG 29 Ca 0.64 -0.36 -0.07 0.00 -0.81 0.00 0.00 59.98 59.39 1b64 h ARG 29 Cb 1.47 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.10 1b64 h ARG 29 CO -0.40 1.02 -0.32 0.66 -1.51 0.00 0.00 179.97 179.42 1b64 h SER 30 N 0.23 0.00 -1.34 -3.80 4.64 0.61 -3.45 113.55 110.44 1b64 h SER 30 Ca -0.05 0.00 -0.76 0.00 -0.47 0.00 0.00 61.79 60.51 1b64 h SER 30 Cb 1.44 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.56 1b64 h SER 30 CO 0.14 0.32 0.51 -0.38 -0.87 0.00 0.00 176.83 176.56 1b64 n ILE 31 N -3.71 0.08 -5.30 0.95 2.08 0.16 -4.94 119.36 108.68 1b64 n ILE 31 Ca -0.01 -0.01 -0.31 0.00 0.56 0.00 0.00 62.75 62.97 1b64 n ILE 31 Cb 0.42 -0.65 -0.16 0.00 -0.75 0.00 0.00 39.64 38.50 1b64 n ILE 31 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 1b64 s GLN 32 N 1.63 2.14 0.25 0.38 0.74 -1.26 -4.97 119.66 118.56 1b64 s GLN 32 Ca 0.94 -0.92 -0.21 0.00 0.05 0.00 0.00 55.36 55.21 1b64 s GLN 32 Cb -1.17 -2.05 0.03 0.00 1.10 0.00 0.00 33.01 30.92 1b64 s GLN 32 CO 0.61 0.56 0.68 0.00 -0.55 0.00 0.00 175.29 176.59 1b64 s ALA 33 N -0.60 -1.29 0.27 1.58 0.00 -1.26 -5.08 121.76 115.38 1b64 s ALA 33 Ca 0.10 -0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.64 1b64 s ALA 33 Cb -0.10 0.86 -0.09 0.00 0.00 0.00 0.00 23.12 23.79 1b64 s ALA 33 CO -0.01 -0.97 1.03 0.34 0.00 0.00 0.00 175.76 176.16 1b64 s ASP 34 N -2.88 7.41 -1.47 0.00 2.15 -1.26 -2.91 116.67 117.71 1b64 s ASP 34 Ca 0.09 2.13 0.00 0.00 0.43 0.00 0.00 52.55 55.19 1b64 s ASP 34 Cb -0.05 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1b64 s ASP 34 CO 0.02 -0.03 0.00 0.61 -0.17 0.00 0.00 175.17 175.60 1b64 n GLY 35 N 1.27 1.32 3.85 2.66 0.00 -1.26 -4.75 105.19 108.28 1b64 n GLY 35 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.21 4.42 -0.15 0.99 2.96 -1.14 -2.96 118.68 119.58 1b64 s LEU 36 Ca 0.00 0.87 -0.04 0.00 -0.22 0.00 0.00 54.13 54.74 1b64 s LEU 36 Cb 0.00 -2.75 0.07 0.00 0.50 0.00 0.00 46.19 44.01 1b64 s LEU 36 CO 0.00 0.26 0.17 -0.69 -1.32 0.00 0.00 176.35 174.77 1b64 s VAL 37 N -1.22 -0.26 -0.18 1.68 1.01 -1.19 -4.86 120.40 115.38 1b64 s VAL 37 Ca 0.28 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.09 1b64 s VAL 37 Cb -0.15 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 1b64 s VAL 37 CO 0.15 -0.06 0.84 0.26 0.00 0.00 0.00 175.10 176.29 1b64 s TRP 38 N 2.28 3.40 0.00 5.22 0.23 -1.26 0.34 118.94 129.16 1b64 s TRP 38 Ca 0.04 1.25 0.00 0.00 -2.03 0.00 0.00 56.10 55.36 1b64 s TRP 38 Cb -0.14 -3.03 0.00 0.00 0.03 0.00 0.00 33.47 30.33 1b64 s TRP 38 CO -0.09 -0.27 0.00 0.41 0.96 0.00 0.00 176.95 177.96 1b64 n GLY 39 N 3.50 0.39 3.64 0.98 0.00 -1.15 -4.96 105.19 107.58 1b64 n GLY 39 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.65 0.31 1.61 0.01 -1.24 -5.07 113.70 107.67 1b64 s SER 40 Ca 0.00 1.14 -0.05 0.00 1.31 0.00 0.00 55.95 58.34 1b64 s SER 40 Cb 0.00 1.21 -0.05 0.00 0.21 0.00 0.00 66.02 67.39 1b64 s SER 40 CO 0.00 -0.19 0.58 -0.94 0.41 0.00 0.00 173.24 173.11 1b64 s SER 41 N 0.91 6.44 0.10 2.44 1.04 -1.26 -3.21 113.70 120.15 1b64 s SER 41 Ca -0.04 0.75 0.05 0.00 0.48 0.00 0.00 55.95 57.19 1b64 s SER 41 Cb -0.05 -2.16 -0.03 0.00 0.10 0.00 0.00 66.02 63.88 1b64 s SER 41 CO -0.11 -0.23 -0.13 -1.59 0.98 0.00 0.00 173.24 172.16 1b64 s LYS 42 N -3.66 0.90 0.28 4.02 -2.85 -0.12 -4.98 119.74 113.34 1b64 s LYS 42 Ca 0.45 -1.13 0.10 0.00 -1.00 0.00 0.00 55.97 54.39 1b64 s LYS 42 Cb -0.11 -0.76 -0.05 0.00 -2.06 0.00 0.00 37.83 34.86 1b64 s LYS 42 CO 0.31 0.14 -0.04 -0.51 0.10 0.00 0.00 175.35 175.36 1b64 s LEU 43 N -2.24 3.05 -0.29 2.77 2.01 -1.26 -3.10 118.68 119.62 1b64 s LEU 43 Ca 0.04 -0.76 0.03 0.00 0.01 0.00 0.00 54.13 53.45 1b64 s LEU 43 Cb -0.06 -1.56 0.17 0.00 0.01 0.00 0.00 46.19 44.75 1b64 s LEU 43 CO 0.02 -0.03 0.45 -0.69 1.01 0.00 0.00 176.35 177.11 1b64 s VAL 44 N -2.39 -0.71 0.24 -1.59 1.01 -1.23 -4.89 120.40 110.85 1b64 s VAL 44 Ca 0.32 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1b64 s VAL 44 Cb -0.05 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.25 1b64 s VAL 44 CO 0.19 -0.22 1.09 -2.16 0.00 0.00 0.00 175.10 174.00 1b64 s PRO 45 N 2.60 4.63 0.00 2.72 0.04 -1.26 0.02 135.00 143.76 1b64 s PRO 45 Ca 0.10 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1b64 s PRO 45 Cb -0.12 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1b64 s PRO 45 CO -0.29 0.18 0.00 0.28 0.04 0.00 0.00 177.00 177.21 1b64 n VAL 46 N 1.64 0.00 -3.80 -0.36 0.31 -0.91 -4.96 118.33 110.24 1b64 n VAL 46 Ca 0.00 0.34 0.01 0.00 -0.01 0.00 0.00 64.34 64.68 1b64 n VAL 46 Cb 0.45 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 1b64 n VAL 46 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1b64 s GLY 47 N -2.98 -0.21 0.00 2.92 0.00 -1.26 -5.01 107.32 100.78 1b64 s GLY 47 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.96 1b64 s GLY 47 CO 0.00 2.40 0.00 2.98 0.00 0.00 0.00 173.10 178.48 1b64 n TYR 48 N -0.67 0.00 0.00 1.90 4.19 -1.26 -2.42 117.16 118.90 1b64 n TYR 48 Ca -0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.18 1b64 n TYR 48 Cb 0.61 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.44 1b64 n TYR 48 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1b64 n GLY 49 N 0.00 0.00 3.26 2.98 0.00 -1.26 -5.16 105.19 105.01 1b64 n GLY 49 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 1.35 0.21 -0.61 1.01 -1.02 -4.43 121.20 117.71 1b64 s ILE 50 Ca 0.00 -1.90 -0.00 0.00 0.00 0.00 0.00 60.65 58.74 1b64 s ILE 50 Cb 0.00 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 1b64 s ILE 50 CO 0.00 -0.55 0.11 -0.54 0.00 0.00 0.00 174.94 173.96 1b64 s LYS 51 N -3.16 1.23 -0.19 2.79 3.01 -1.26 -2.14 119.74 120.02 1b64 s LYS 51 Ca 0.13 -1.65 -0.17 0.00 -1.01 0.00 0.00 55.97 53.28 1b64 s LYS 51 Cb -0.02 0.10 -0.04 0.00 -1.01 0.00 0.00 37.83 36.87 1b64 s LYS 51 CO 0.03 -0.34 0.45 0.15 0.51 0.00 0.00 175.35 176.14 1b64 s LYS 52 N -4.11 4.20 -1.44 1.68 1.02 0.10 -4.58 119.74 116.62 1b64 s LYS 52 Ca 0.37 0.31 -0.09 0.00 0.02 0.00 0.00 55.97 56.58 1b64 s LYS 52 Cb 0.07 -3.53 0.04 0.00 -0.52 0.00 0.00 37.83 33.89 1b64 s LYS 52 CO 0.11 -0.05 2.47 -0.11 -0.92 0.00 0.00 175.35 176.85 1b64 n LEU 53 N 4.48 7.88 -4.80 3.17 -0.00 -1.02 -3.47 117.00 123.24 1b64 n LEU 53 Ca -0.07 -4.55 -0.38 0.00 -0.00 0.00 0.00 56.01 51.01 1b64 n LEU 53 Cb 0.51 -1.50 -0.06 0.00 -0.00 0.00 0.00 43.42 42.37 1b64 n LEU 53 CO 0.41 1.80 0.17 -1.58 -0.00 0.00 0.00 177.39 178.19 1b64 s GLN 54 N 0.92 4.12 0.06 1.96 0.74 -1.18 -2.33 119.66 123.95 1b64 s GLN 54 Ca 0.56 0.52 -0.10 0.00 0.05 0.00 0.00 55.36 56.39 1b64 s GLN 54 Cb 0.16 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.99 1b64 s GLN 54 CO -0.06 0.52 0.21 0.96 -0.55 0.00 0.00 175.29 176.36 1b64 s ILE 55 N -0.59 0.12 0.04 -2.34 -0.00 -0.90 -0.94 121.20 116.58 1b64 s ILE 55 Ca 0.26 -0.97 0.08 0.00 -0.00 0.00 0.00 60.65 60.02 1b64 s ILE 55 Cb -0.17 -1.08 -0.03 0.00 -0.00 0.00 0.00 42.46 41.19 1b64 s ILE 55 CO 0.14 -0.54 -0.23 -1.58 -0.00 0.00 0.00 174.94 172.74 1b64 s GLN 56 N -3.07 1.58 0.04 0.37 -0.44 -1.20 -2.52 119.66 114.43 1b64 s GLN 56 Ca -0.01 -0.98 -0.10 0.00 -2.50 0.00 0.00 55.36 51.77 1b64 s GLN 56 Cb 0.01 -1.70 0.01 0.00 -1.64 0.00 0.00 33.01 29.69 1b64 s GLN 56 CO -0.07 0.44 0.21 0.00 0.50 0.00 0.00 175.29 176.37 1b64 n VAL 58 N 0.62 3.52 -2.20 0.00 0.31 0.15 -2.56 118.33 118.17 1b64 n VAL 58 Ca -0.19 -5.30 -0.28 0.00 -0.01 0.00 0.00 64.34 58.56 1b64 n VAL 58 Cb 0.59 -2.31 0.04 0.00 -0.91 0.00 0.00 33.84 31.25 1b64 n VAL 58 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1b64 s VAL 59 N -1.77 3.36 0.78 2.52 -7.23 -0.78 -3.16 120.40 114.12 1b64 s VAL 59 Ca 0.30 0.11 -0.09 0.00 -1.81 0.00 0.00 61.98 60.50 1b64 s VAL 59 Cb -0.02 -3.38 0.10 0.00 0.56 0.00 0.00 36.38 33.63 1b64 s VAL 59 CO -0.07 -0.44 1.10 -1.61 -0.31 0.00 0.00 175.10 173.78 1b64 s GLU 60 N -5.16 1.77 0.00 4.82 2.02 -1.15 -0.72 118.70 120.28 1b64 s GLU 60 Ca 0.56 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.21 1b64 s GLU 60 Cb -0.11 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.03 1b64 s GLU 60 CO 0.47 -1.56 0.59 -0.25 0.02 0.00 0.00 175.26 174.53 1b64 n ASP 61 N -3.15 1.02 -0.02 -0.19 8.00 -0.49 -3.97 116.55 117.75 1b64 n ASP 61 Ca 0.10 -1.35 -0.01 0.00 0.71 0.00 0.00 54.79 54.25 1b64 n ASP 61 Cb 0.60 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1b64 n ASP 61 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1b64 n ASP 62 N -0.17 0.43 -0.02 -2.24 2.03 -1.25 -4.80 116.55 110.53 1b64 n ASP 62 Ca 0.00 0.32 0.01 0.00 0.52 0.00 0.00 54.79 55.63 1b64 n ASP 62 Cb 0.21 -0.59 -0.05 0.00 -0.72 0.00 0.00 41.12 39.97 1b64 n ASP 62 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1b64 n LYS 63 N -2.83 1.44 -2.93 -0.67 5.02 -1.26 -5.01 118.16 111.92 1b64 n LYS 63 Ca -0.02 -0.04 -0.32 0.00 -2.02 0.00 0.00 58.31 55.92 1b64 n LYS 63 Cb 0.07 -1.16 -0.05 0.00 -0.02 0.00 0.00 35.03 33.86 1b64 n LYS 63 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1b64 s VAL 64 N -2.33 4.62 0.26 -0.18 1.01 -1.26 -5.07 120.40 117.46 1b64 s VAL 64 Ca -0.03 1.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.76 1b64 s VAL 64 Cb 0.03 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.80 1b64 s VAL 64 CO 0.27 -0.34 0.78 -0.83 0.00 0.00 0.00 175.10 174.98 1b64 s GLY 65 N -2.52 -0.09 0.36 4.51 0.00 -1.25 -3.80 107.32 104.52 1b64 s GLY 65 Ca 0.56 -0.24 0.18 0.00 0.00 0.00 0.00 44.72 45.22 1b64 s GLY 65 CO 0.21 -0.05 1.70 -0.84 0.00 0.00 0.00 173.10 174.12 1b64 h THR 66 N 2.00 0.90 0.00 0.90 2.02 -1.98 -3.33 112.91 113.43 1b64 h THR 66 Ca -0.21 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.36 1b64 h THR 66 Cb 1.25 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 1b64 h THR 66 CO 0.25 0.39 0.00 -0.90 0.37 0.00 0.00 175.52 175.62 1b64 n ASP 67 N -3.51 0.00 -0.12 4.18 5.75 -1.26 0.21 116.55 121.81 1b64 n ASP 67 Ca -0.00 0.86 -0.06 0.00 -0.01 0.00 0.00 54.79 55.58 1b64 n ASP 67 Cb 0.53 -0.36 -0.05 0.00 -1.03 0.00 0.00 41.12 40.22 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 -0.10 -0.84 0.11 4.05 -1.98 1.28 114.93 117.45 1b64 h MET 68 Ca 0.00 0.01 0.20 0.00 -0.28 0.00 0.00 59.70 59.63 1b64 h MET 68 Cb 0.00 0.02 -0.15 0.00 -0.80 0.00 0.00 31.60 30.68 1b64 h MET 68 CO 0.00 -0.07 0.02 -0.07 0.23 0.00 0.00 176.91 177.02 1b64 h LEU 69 N -0.11 -0.37 0.03 3.39 3.38 -1.59 0.37 115.31 120.41 1b64 h LEU 69 Ca 0.05 0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1b64 h LEU 69 Cb 0.24 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1b64 h LEU 69 CO -0.34 -0.23 -0.02 -0.08 0.09 0.00 0.00 178.44 177.87 1b64 h GLU 70 N 0.09 -0.04 0.00 1.13 4.81 0.55 1.55 114.58 122.66 1b64 h GLU 70 Ca 0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 1b64 h GLU 70 Cb 0.89 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1b64 h GLU 70 CO -0.75 0.04 0.03 0.39 -0.73 0.00 0.00 179.01 178.00 1b64 n GLU 71 N -5.08 0.12 -0.13 1.92 -0.58 0.41 0.11 120.64 117.41 1b64 n GLU 71 Ca -0.08 0.61 -0.27 0.00 -0.42 0.00 0.00 57.16 57.01 1b64 n GLU 71 Cb 0.08 -1.93 -0.10 0.00 -0.57 0.00 0.00 31.44 28.92 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 -2.16 0.56 0.22 3.49 7.27 0.53 -3.50 117.38 123.79 1b64 n GLN 72 Ca -0.01 0.24 -0.13 0.00 0.07 0.00 0.00 57.00 57.16 1b64 n GLN 72 Cb 0.06 -1.43 -0.07 0.00 2.41 0.00 0.00 30.24 31.21 1b64 n GLN 72 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1b64 h ILE 73 N -0.87 0.45 0.00 1.69 2.04 0.27 -2.75 117.51 118.34 1b64 h ILE 73 Ca -0.66 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1b64 h ILE 73 Cb 1.60 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1b64 h ILE 73 CO -0.38 0.07 0.00 0.35 0.00 0.00 0.00 178.15 178.19 1b64 n THR 74 N -5.21 0.48 0.34 -0.27 -2.24 0.30 -2.67 114.28 105.00 1b64 n THR 74 Ca -0.10 0.12 0.22 0.00 -2.27 0.00 0.00 64.05 62.02 1b64 n THR 74 Cb 0.29 -0.81 1.21 0.00 -2.10 0.00 0.00 70.33 68.92 1b64 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b64 h ALA 75 N 2.84 1.03 -2.28 6.98 0.00 -1.41 -3.30 119.26 123.12 1b64 h ALA 75 Ca 0.00 -0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.15 1b64 h ALA 75 Cb 0.19 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.75 1b64 h ALA 75 CO 0.00 0.00 0.66 -0.06 0.00 0.00 0.00 179.25 179.85 1b64 s PHE 76 N -4.17 3.67 -1.58 0.00 0.08 -1.09 -4.79 117.98 110.10 1b64 s PHE 76 Ca -0.05 -2.05 0.30 0.00 0.12 0.00 0.00 56.93 55.25 1b64 s PHE 76 Cb 0.13 -4.05 1.60 0.00 -0.57 0.00 0.00 43.02 40.13 1b64 s PHE 76 CO 0.42 -1.20 2.08 0.39 -0.10 0.00 0.00 175.22 176.81 1b64 n GLU 77 N 4.68 0.57 -0.36 0.44 1.02 -1.25 -0.67 120.64 125.08 1b64 n GLU 77 Ca 0.24 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.46 1b64 n GLU 77 Cb 0.45 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.61 1b64 n GLU 77 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1b64 n ASP 78 N -1.21 3.14 0.00 1.62 8.00 -1.26 -4.39 116.55 122.45 1b64 n ASP 78 Ca 0.17 -2.17 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1b64 n ASP 78 Cb 0.20 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 1b64 n ASP 78 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1b64 n TYR 79 N 0.85 -0.45 -2.92 1.24 4.01 -1.09 -4.96 117.16 113.84 1b64 n TYR 79 Ca 0.18 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.51 1b64 n TYR 79 Cb 0.56 0.19 -0.04 0.00 -0.31 0.00 0.00 39.34 39.74 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 -1.39 4.96 -0.00 -0.72 1.01 0.15 0.16 120.40 124.57 1b64 s VAL 80 Ca 0.00 1.66 -0.03 0.00 0.00 0.00 0.00 61.98 63.60 1b64 s VAL 80 Cb 0.00 -4.14 -0.28 0.00 0.00 0.00 0.00 36.38 31.96 1b64 s VAL 80 CO 0.00 0.17 0.83 -0.61 0.00 0.00 0.00 175.10 175.49 1b64 h GLN 81 N 6.92 0.25 -1.15 2.72 4.15 0.18 -3.42 115.11 124.77 1b64 h GLN 81 Ca -0.38 -0.43 0.19 0.00 0.77 0.00 0.00 58.65 58.80 1b64 h GLN 81 Cb 1.18 0.16 -0.32 0.00 0.21 0.00 0.00 27.48 28.72 1b64 h GLN 81 CO 0.78 1.12 0.70 -1.12 -1.93 0.00 0.00 178.83 178.38 1b64 s SER 82 N -6.98 -0.14 0.11 -0.69 0.01 -1.24 -5.00 113.70 99.77 1b64 s SER 82 Ca -0.10 0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.42 1b64 s SER 82 Cb 0.07 0.92 -0.04 0.00 0.21 0.00 0.00 66.02 67.18 1b64 s SER 82 CO 0.85 -0.04 0.13 -0.32 0.41 0.00 0.00 173.24 174.27 1b64 s MET 83 N 0.92 3.01 0.12 12.44 1.75 -1.26 -2.16 119.30 134.11 1b64 s MET 83 Ca -0.06 -0.70 -0.03 0.00 -1.25 0.00 0.00 55.69 53.65 1b64 s MET 83 Cb -0.03 -2.76 0.01 0.00 2.84 0.00 0.00 34.83 34.89 1b64 s MET 83 CO -0.11 0.54 0.21 -0.25 -0.65 0.00 0.00 175.02 174.76 1b64 n ASP 84 N 0.12 -0.61 -4.50 1.11 8.00 -1.11 -5.03 116.55 114.54 1b64 n ASP 84 Ca -0.08 -1.56 -0.34 0.00 0.71 0.00 0.00 54.79 53.53 1b64 n ASP 84 Cb 0.53 1.05 -0.12 0.00 -0.02 0.00 0.00 41.12 42.56 1b64 n ASP 84 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1b64 s VAL 85 N -2.64 3.78 -0.15 2.53 1.01 -1.26 -3.00 120.40 120.65 1b64 s VAL 85 Ca 0.07 -0.41 0.22 0.00 0.00 0.00 0.00 61.98 61.86 1b64 s VAL 85 Cb -0.01 -2.63 -0.13 0.00 0.00 0.00 0.00 36.38 33.60 1b64 s VAL 85 CO 0.05 0.51 0.81 0.00 0.00 0.00 0.00 175.10 176.47 1b64 n ALA 86 N 3.34 2.57 -3.62 5.51 0.00 0.50 -4.87 120.51 123.94 1b64 n ALA 86 Ca -0.18 -0.37 -0.02 0.00 0.00 0.00 0.00 53.44 52.87 1b64 n ALA 86 Cb 0.53 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 1b64 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b64 s ALA 87 N -3.38 -2.19 -0.39 0.00 0.00 -1.06 -4.90 121.76 109.83 1b64 s ALA 87 Ca -0.04 1.62 0.05 0.00 0.00 0.00 0.00 51.96 53.59 1b64 s ALA 87 Cb 0.11 -0.18 0.17 0.00 0.00 0.00 0.00 23.12 23.22 1b64 s ALA 87 CO 0.84 -0.65 0.48 0.12 0.00 0.00 0.00 175.76 176.54 1b64 s PHE 88 N -2.20 -0.84 0.22 0.00 5.36 -1.26 -3.11 117.98 116.15 1b64 s PHE 88 Ca 0.11 -0.47 0.02 0.00 -0.96 0.00 0.00 56.93 55.64 1b64 s PHE 88 Cb 0.00 -0.13 -0.01 0.00 -0.34 0.00 0.00 43.02 42.55 1b64 s PHE 88 CO -0.04 -1.06 0.24 0.09 -1.46 0.00 0.00 175.22 173.00 1b64 n ASN 89 N 4.21 -0.64 -4.82 6.13 4.13 -1.20 -5.09 115.26 117.98 1b64 n ASN 89 Ca 0.12 -2.31 -0.35 0.00 1.68 0.00 0.00 54.58 53.72 1b64 n ASN 89 Cb 0.50 1.32 -0.06 0.00 -1.54 0.00 0.00 39.78 39.99 1b64 n ASN 89 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1b64 s LYS 90 N -2.70 4.23 0.00 3.52 0.00 -1.26 -2.25 119.74 121.28 1b64 s LYS 90 Ca 0.22 0.92 0.30 0.00 0.00 0.00 0.00 55.97 57.41 1b64 s LYS 90 Cb 0.00 -2.65 1.46 0.00 0.00 0.00 0.00 37.83 36.65 1b64 s LYS 90 CO 0.16 0.25 1.98 1.51 0.00 0.00 0.00 175.35 179.25