#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 -6.20 -3.98 4.03 7.99 -1.26 -5.07 117.00 112.51 1b64 n LEU 2 Ca 0.00 2.13 -0.10 0.00 -0.01 0.00 0.00 56.01 58.03 1b64 n LEU 2 Cb 0.00 -3.15 -0.04 0.00 -0.11 0.00 0.00 43.42 40.12 1b64 n LEU 2 CO 0.00 -3.89 0.24 0.54 -1.51 0.00 0.00 177.39 172.77 1b64 s VAL 3 N -0.71 0.00 -0.09 4.08 0.11 -1.26 -5.05 120.40 117.48 1b64 s VAL 3 Ca -0.24 -1.36 -0.03 0.00 -2.93 0.00 0.00 61.98 57.42 1b64 s VAL 3 Cb 0.02 -2.37 0.00 0.00 -1.53 0.00 0.00 36.38 32.50 1b64 s VAL 3 CO 0.73 0.00 0.12 0.00 -3.33 0.00 0.00 175.10 172.62 1b64 n ALA 4 N -0.45 -3.01 -2.13 1.54 0.00 -1.26 -4.83 120.51 110.37 1b64 n ALA 4 Ca -0.02 0.25 -0.20 0.00 0.00 0.00 0.00 53.44 53.47 1b64 n ALA 4 Cb 0.61 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.29 2.56 0.22 0.00 -0.14 -1.26 -0.54 119.74 119.29 1b64 s LYS 5 Ca 0.05 -1.51 -0.16 0.00 -1.36 0.00 0.00 55.97 52.99 1b64 s LYS 5 Cb -0.01 -2.53 0.02 0.00 -1.68 0.00 0.00 37.83 33.62 1b64 s LYS 5 CO 0.17 -0.40 0.53 0.45 -0.76 0.00 0.00 175.35 175.33 1b64 s SER 6 N -4.33 -0.20 0.07 2.83 0.15 0.16 -4.02 113.70 108.35 1b64 s SER 6 Ca 0.52 -0.64 0.07 0.00 0.70 0.00 0.00 55.95 56.59 1b64 s SER 6 Cb -0.06 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 1b64 s SER 6 CO 0.31 -1.11 -0.14 -0.55 1.20 0.00 0.00 173.24 172.95 1b64 s SER 7 N -2.92 4.09 -0.28 5.45 0.15 0.16 -1.39 113.70 118.95 1b64 s SER 7 Ca 0.13 -0.40 -0.02 0.00 0.70 0.00 0.00 55.95 56.37 1b64 s SER 7 Cb -0.01 -0.73 0.12 0.00 -1.71 0.00 0.00 66.02 63.69 1b64 s SER 7 CO 0.02 0.23 0.24 -0.63 1.20 0.00 0.00 173.24 174.30 1b64 s ILE 8 N -1.05 -0.30 -0.02 6.45 1.09 -0.71 -2.52 121.20 124.13 1b64 s ILE 8 Ca 0.17 -0.51 -0.24 0.00 -1.10 0.00 0.00 60.65 58.98 1b64 s ILE 8 Cb -0.11 -0.94 -0.04 0.00 -1.06 0.00 0.00 42.46 40.31 1b64 s ILE 8 CO 0.09 -0.50 0.72 -0.22 -0.10 0.00 0.00 174.94 174.93 1b64 s LEU 9 N 2.29 4.37 0.17 2.97 2.96 -1.24 -2.69 118.68 127.51 1b64 s LEU 9 Ca 0.09 1.28 0.11 0.00 -0.22 0.00 0.00 54.13 55.39 1b64 s LEU 9 Cb -0.15 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 1b64 s LEU 9 CO -0.31 -0.06 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.66 1b64 s LEU 10 N 0.45 2.40 -0.04 -0.68 1.02 -0.40 -1.96 118.68 119.46 1b64 s LEU 10 Ca 0.38 -0.83 0.00 0.00 0.02 0.00 0.00 54.13 53.70 1b64 s LEU 10 Cb -0.19 -1.14 0.03 0.00 0.02 0.00 0.00 46.19 44.91 1b64 s LEU 10 CO 0.20 0.12 -0.00 -0.62 0.02 0.00 0.00 176.35 176.06 1b64 s ASP 11 N -2.48 0.79 0.13 2.29 -1.08 -1.22 -1.77 116.67 113.33 1b64 s ASP 11 Ca 0.18 -0.05 0.11 0.00 -0.52 0.00 0.00 52.55 52.27 1b64 s ASP 11 Cb -0.08 -0.30 -0.04 0.00 -1.46 0.00 0.00 42.92 41.03 1b64 s ASP 11 CO 0.08 -0.12 -0.26 -0.69 0.52 0.00 0.00 175.17 174.70 1b64 s VAL 12 N 1.24 2.22 -0.17 1.11 1.01 -0.76 -2.12 120.40 122.93 1b64 s VAL 12 Ca -0.07 -1.76 -0.01 0.00 0.00 0.00 0.00 61.98 60.14 1b64 s VAL 12 Cb -0.13 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1b64 s VAL 12 CO -0.02 0.06 -0.11 -0.75 0.00 0.00 0.00 175.10 174.29 1b64 s LYS 13 N -2.08 3.35 0.16 2.72 2.36 -1.23 -2.16 119.74 122.85 1b64 s LYS 13 Ca 0.14 -0.67 -0.30 0.00 -2.55 0.00 0.00 55.97 52.58 1b64 s LYS 13 Cb -0.10 -2.76 -0.07 0.00 -1.05 0.00 0.00 37.83 33.85 1b64 s LYS 13 CO 0.06 0.04 1.13 -1.25 1.55 0.00 0.00 175.35 176.87 1b64 s PRO 14 N 0.82 4.55 0.42 4.03 0.04 -1.26 0.14 135.00 143.74 1b64 s PRO 14 Ca -0.04 1.74 0.21 0.00 0.04 0.00 0.00 61.00 62.96 1b64 s PRO 14 Cb -0.15 -3.29 1.17 0.00 0.04 0.00 0.00 34.50 32.28 1b64 s PRO 14 CO 0.01 0.00 1.77 -1.49 0.04 0.00 0.00 177.00 177.33 1b64 h TRP 15 N 5.39 0.56 -2.24 0.56 4.06 -1.11 -3.43 115.95 119.75 1b64 h TRP 15 Ca -0.44 0.02 0.08 0.00 2.06 0.00 0.00 58.89 60.61 1b64 h TRP 15 Cb 1.21 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 29.20 1b64 h TRP 15 CO 0.63 0.04 0.33 -0.25 -3.56 0.00 0.00 178.44 175.64 1b64 n ASP 16 N -4.57 -1.11 0.28 -3.49 8.00 -1.26 -4.99 116.55 109.42 1b64 n ASP 16 Ca 0.25 -1.62 0.17 0.00 0.71 0.00 0.00 54.79 54.31 1b64 n ASP 16 Cb 0.94 1.81 0.80 0.00 -0.02 0.00 0.00 41.12 44.65 1b64 n ASP 16 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1b64 h ASP 17 N 1.20 0.00 -0.39 -2.24 3.04 -1.86 -2.11 116.42 114.06 1b64 h ASP 17 Ca -0.17 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.53 1b64 h ASP 17 Cb 0.73 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.00 1b64 h ASP 17 CO 0.23 0.05 -0.07 1.05 -2.04 0.00 0.00 179.24 178.46 1b64 h GLU 18 N 0.00 0.82 -5.24 4.15 4.11 -1.94 -3.41 114.58 113.06 1b64 h GLU 18 Ca -0.00 -0.26 -0.35 0.00 0.07 0.00 0.00 59.36 58.83 1b64 h GLU 18 Cb 0.37 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1b64 h GLU 18 CO 0.01 0.87 1.40 2.41 0.07 0.00 0.00 179.01 183.76 1b64 n THR 19 N -4.18 -0.02 -1.60 -1.06 -1.04 -0.79 -4.78 114.28 100.81 1b64 n THR 19 Ca 0.02 -0.45 -0.55 0.00 -2.04 0.00 0.00 64.05 61.03 1b64 n THR 19 Cb 0.35 -1.36 -0.07 0.00 -1.82 0.00 0.00 70.33 67.43 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 12.73 1.40 0.08 8.00 2.03 -1.26 -4.85 116.55 134.68 1b64 n ASP 20 Ca 0.54 1.12 -0.12 0.00 0.52 0.00 0.00 54.79 56.86 1b64 n ASP 20 Cb 0.29 -1.11 -0.11 0.00 -0.72 0.00 0.00 41.12 39.46 1b64 n ASP 20 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1b64 h MET 21 N 4.65 0.16 -0.38 -0.67 2.86 -1.90 -2.26 114.93 117.37 1b64 h MET 21 Ca -0.48 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 56.89 1b64 h MET 21 Cb 1.35 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 33.09 1b64 h MET 21 CO 0.79 1.10 0.19 0.00 1.06 0.00 0.00 176.91 180.05 1b64 h ALA 22 N 0.79 0.49 0.20 6.32 0.00 -1.97 0.90 119.26 126.00 1b64 h ALA 22 Ca -0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1b64 h ALA 22 Cb 1.83 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1b64 h ALA 22 CO 0.17 0.05 -0.09 -0.22 0.00 0.00 0.00 179.25 179.15 1b64 h LYS 23 N 0.48 -0.25 -1.01 0.00 1.63 -1.95 1.47 116.57 116.94 1b64 h LYS 23 Ca 0.13 0.02 0.10 0.00 -0.85 0.00 0.00 60.65 60.05 1b64 h LYS 23 Cb 0.10 0.06 -0.08 0.00 -0.60 0.00 0.00 32.23 31.71 1b64 h LYS 23 CO -0.02 0.10 0.64 1.25 -3.45 0.00 0.00 179.45 177.97 1b64 h LEU 24 N -0.65 0.96 -0.04 5.20 6.46 -1.30 1.73 115.31 127.68 1b64 h LEU 24 Ca -0.03 0.04 -0.25 0.00 -0.12 0.00 0.00 57.88 57.51 1b64 h LEU 24 Cb 0.47 -0.16 0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1b64 h LEU 24 CO 0.04 0.55 -0.97 -0.08 -0.62 0.00 0.00 178.44 177.36 1b64 h GLU 25 N 1.05 0.72 0.26 1.25 4.81 0.97 -3.11 114.58 120.54 1b64 h GLU 25 Ca 0.48 -0.73 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1b64 h GLU 25 Cb 0.39 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1b64 h GLU 25 CO -0.24 1.31 -0.13 1.49 -0.73 0.00 0.00 179.01 180.72 1b64 h GLU 26 N 0.42 -0.34 -0.92 1.92 4.81 0.33 -2.43 114.58 118.37 1b64 h GLU 26 Ca -0.11 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.26 1b64 h GLU 26 Cb 1.62 0.08 -0.14 0.00 0.63 0.00 0.00 28.75 30.94 1b64 h GLU 26 CO 0.19 -0.01 -0.46 0.00 -0.73 0.00 0.00 179.01 178.00 1b64 h VAL 28 N -0.04 0.00 -0.77 0.00 2.07 -1.53 -2.02 116.25 113.96 1b64 h VAL 28 Ca 0.26 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.94 1b64 h VAL 28 Cb 0.53 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.16 1b64 h VAL 28 CO -0.92 0.00 -0.14 -0.09 0.02 0.00 0.00 177.57 176.44 1b64 h ARG 29 N -0.11 0.02 -1.80 1.57 2.43 -0.61 0.95 114.38 116.84 1b64 h ARG 29 Ca 0.00 -0.00 0.53 0.00 -0.81 0.00 0.00 59.98 59.70 1b64 h ARG 29 Cb 0.11 -0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.57 1b64 h ARG 29 CO -0.05 0.01 1.28 0.66 -1.51 0.00 0.00 179.97 180.36 1b64 h SER 30 N 0.02 0.04 -2.05 -3.80 4.64 0.28 -3.38 113.55 109.30 1b64 h SER 30 Ca 0.39 0.03 -0.60 0.00 -0.47 0.00 0.00 61.79 61.13 1b64 h SER 30 Cb 0.63 0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1b64 h SER 30 CO -0.77 -0.04 1.15 -0.38 -0.87 0.00 0.00 176.83 175.92 1b64 n ILE 31 N -4.09 0.60 -4.93 0.95 5.41 0.33 -4.95 119.36 112.67 1b64 n ILE 31 Ca 0.42 -0.13 -0.30 0.00 1.00 0.00 0.00 62.75 63.74 1b64 n ILE 31 Cb 1.86 -1.97 -0.15 0.00 -0.71 0.00 0.00 39.64 38.67 1b64 n ILE 31 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1b64 s GLN 32 N 4.32 1.78 -0.28 0.38 -1.52 -1.26 -4.96 119.66 118.11 1b64 s GLN 32 Ca 0.93 -1.05 -0.16 0.00 -1.95 0.00 0.00 55.36 53.13 1b64 s GLN 32 Cb -0.64 -1.91 0.11 0.00 -0.22 0.00 0.00 33.01 30.34 1b64 s GLN 32 CO 0.50 0.50 0.79 0.00 -0.25 0.00 0.00 175.29 176.82 1b64 s ALA 33 N -0.77 -2.04 0.24 6.09 0.00 -1.26 -4.99 121.76 119.03 1b64 s ALA 33 Ca 0.11 2.34 -0.08 0.00 0.00 0.00 0.00 51.96 54.34 1b64 s ALA 33 Cb -0.10 -1.55 0.41 0.00 0.00 0.00 0.00 23.12 21.88 1b64 s ALA 33 CO 0.02 -0.41 1.63 0.22 0.00 0.00 0.00 175.76 177.22 1b64 h ASP 34 N 6.75 -0.37 -0.37 0.00 3.58 -2.03 1.44 116.42 125.42 1b64 h ASP 34 Ca -0.28 0.19 -0.11 0.00 0.42 0.00 0.00 57.03 57.25 1b64 h ASP 34 Cb 1.21 0.35 -0.07 0.00 1.72 0.00 0.00 39.33 42.54 1b64 h ASP 34 CO 0.17 -0.18 0.15 0.61 -2.88 0.00 0.00 179.24 177.10 1b64 n GLY 35 N -1.42 2.67 3.06 -0.78 0.00 -1.26 -4.77 105.19 102.69 1b64 n GLY 35 Ca 0.13 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.46 2.04 -0.43 0.99 2.96 0.49 -3.86 118.68 119.42 1b64 s LEU 36 Ca 0.27 -0.66 -0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1b64 s LEU 36 Cb 0.22 -1.33 0.12 0.00 0.50 0.00 0.00 46.19 45.69 1b64 s LEU 36 CO 0.07 -0.05 0.20 -0.69 -1.32 0.00 0.00 176.35 174.55 1b64 s VAL 37 N 1.37 3.00 0.33 1.68 1.01 0.69 -4.45 120.40 124.04 1b64 s VAL 37 Ca 0.03 -2.37 -0.29 0.00 0.00 0.00 0.00 61.98 59.35 1b64 s VAL 37 Cb -0.14 -3.08 -0.11 0.00 0.00 0.00 0.00 36.38 33.05 1b64 s VAL 37 CO -0.11 -0.70 1.54 0.26 0.00 0.00 0.00 175.10 176.09 1b64 s TRP 38 N 0.79 2.68 0.00 5.22 0.23 -1.26 0.21 118.94 126.80 1b64 s TRP 38 Ca 0.11 0.97 0.00 0.00 -2.03 0.00 0.00 56.10 55.15 1b64 s TRP 38 Cb -0.22 -4.04 0.00 0.00 0.03 0.00 0.00 33.47 29.24 1b64 s TRP 38 CO -0.05 -3.29 0.00 0.41 0.96 0.00 0.00 176.95 174.98 1b64 n GLY 39 N 1.37 0.88 3.01 0.98 0.00 -1.07 -4.83 105.19 105.54 1b64 n GLY 39 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.23 1.58 0.43 1.61 1.04 -1.26 -4.97 113.70 111.90 1b64 s SER 40 Ca 0.00 -0.26 -0.03 0.00 0.48 0.00 0.00 55.95 56.14 1b64 s SER 40 Cb 0.00 -0.67 -0.04 0.00 0.10 0.00 0.00 66.02 65.41 1b64 s SER 40 CO 0.00 0.03 0.70 -0.94 0.98 0.00 0.00 173.24 174.01 1b64 s SER 41 N 0.58 6.28 0.13 7.02 1.04 -1.26 -3.26 113.70 124.23 1b64 s SER 41 Ca -0.12 0.76 0.07 0.00 0.48 0.00 0.00 55.95 57.14 1b64 s SER 41 Cb -0.14 -2.17 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 1b64 s SER 41 CO 0.03 -0.47 -0.17 -0.54 0.98 0.00 0.00 173.24 173.07 1b64 s LYS 42 N -4.56 1.13 0.21 4.02 1.02 -0.71 -4.93 119.74 115.92 1b64 s LYS 42 Ca 0.45 -1.29 0.11 0.00 0.02 0.00 0.00 55.97 55.26 1b64 s LYS 42 Cb -0.10 -1.15 -0.04 0.00 -0.52 0.00 0.00 37.83 36.02 1b64 s LYS 42 CO 0.41 0.24 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.36 1b64 s LEU 43 N -2.43 2.55 -0.21 3.17 2.01 -1.26 -3.08 118.68 119.42 1b64 s LEU 43 Ca 0.11 -0.86 -0.05 0.00 0.01 0.00 0.00 54.13 53.34 1b64 s LEU 43 Cb -0.06 -1.23 0.10 0.00 0.01 0.00 0.00 46.19 45.01 1b64 s LEU 43 CO 0.05 0.10 0.39 -0.69 1.01 0.00 0.00 176.35 177.21 1b64 s VAL 44 N -1.85 -0.62 0.61 -1.59 1.01 -1.25 -4.96 120.40 111.76 1b64 s VAL 44 Ca 0.23 0.10 -0.15 0.00 0.00 0.00 0.00 61.98 62.16 1b64 s VAL 44 Cb -0.07 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1b64 s VAL 44 CO 0.12 0.01 1.05 -2.16 0.00 0.00 0.00 175.10 174.12 1b64 s PRO 45 N 2.57 3.30 0.24 2.72 0.04 -1.26 0.19 135.00 142.80 1b64 s PRO 45 Ca 0.04 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.23 1b64 s PRO 45 Cb -0.13 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1b64 s PRO 45 CO -0.13 -0.82 0.06 0.08 0.04 0.00 0.00 177.00 176.23 1b64 s VAL 46 N -2.58 0.68 1.17 -0.36 1.01 0.48 -4.82 120.40 115.98 1b64 s VAL 46 Ca 0.62 -2.00 -0.13 0.00 0.00 0.00 0.00 61.98 60.47 1b64 s VAL 46 Cb -0.15 -2.51 0.29 0.00 0.00 0.00 0.00 36.38 34.01 1b64 s VAL 46 CO 0.40 -0.14 1.03 -0.83 0.00 0.00 0.00 175.10 175.56 1b64 s GLY 47 N -3.30 1.55 0.00 4.51 0.00 -1.26 -3.34 107.32 105.48 1b64 s GLY 47 Ca 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.99 1b64 s GLY 47 CO 0.11 0.65 0.00 2.98 0.00 0.00 0.00 173.10 176.84 1b64 n TYR 48 N -4.97 0.00 0.00 1.90 4.19 -1.26 -2.60 117.16 114.42 1b64 n TYR 48 Ca 0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.24 1b64 n TYR 48 Cb 0.54 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.37 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 3.66 2.98 0.00 -1.24 -5.17 105.19 105.41 1b64 n GLY 49 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 2.91 0.05 -0.61 1.01 -1.07 -4.65 121.20 118.84 1b64 s ILE 50 Ca 0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 60.65 58.74 1b64 s ILE 50 Cb 0.00 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1b64 s ILE 50 CO 0.00 -0.24 -0.04 -0.54 0.00 0.00 0.00 174.94 174.12 1b64 s LYS 51 N -3.73 0.62 0.15 2.79 1.02 -1.26 0.18 119.74 119.51 1b64 s LYS 51 Ca 0.35 -1.18 -0.08 0.00 0.02 0.00 0.00 55.97 55.07 1b64 s LYS 51 Cb -0.02 0.14 -0.06 0.00 -0.52 0.00 0.00 37.83 37.37 1b64 s LYS 51 CO 0.20 -0.09 0.45 0.21 -0.92 0.00 0.00 175.35 175.20 1b64 s LYS 52 N -3.70 3.73 -0.89 1.68 2.20 0.50 -4.55 119.74 118.72 1b64 s LYS 52 Ca 0.06 0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 1b64 s LYS 52 Cb 0.06 -2.83 0.29 0.00 -1.51 0.00 0.00 37.83 33.84 1b64 s LYS 52 CO -0.09 0.45 1.18 1.28 -0.36 0.00 0.00 175.35 177.81 1b64 n LEU 53 N 0.28 5.33 -4.83 5.43 7.99 -0.92 -3.91 117.00 126.37 1b64 n LEU 53 Ca -0.03 -5.33 -0.38 0.00 -0.01 0.00 0.00 56.01 50.26 1b64 n LEU 53 Cb 0.52 -1.01 -0.06 0.00 -0.11 0.00 0.00 43.42 42.76 1b64 n LEU 53 CO 0.45 1.87 0.11 -1.58 -1.51 0.00 0.00 177.39 176.73 1b64 s GLN 54 N -2.73 3.95 0.09 3.23 0.74 -1.18 -1.84 119.66 121.92 1b64 s GLN 54 Ca 0.35 0.41 -0.08 0.00 0.05 0.00 0.00 55.36 56.10 1b64 s GLN 54 Cb 0.10 -3.23 -0.01 0.00 1.10 0.00 0.00 33.01 30.97 1b64 s GLN 54 CO 0.05 0.66 0.17 0.96 -0.55 0.00 0.00 175.29 176.57 1b64 s ILE 55 N -0.97 0.15 0.00 -2.34 -0.00 -0.73 -1.74 121.20 115.58 1b64 s ILE 55 Ca 0.24 -1.27 0.06 0.00 -0.00 0.00 0.00 60.65 59.68 1b64 s ILE 55 Cb -0.17 -1.39 -0.02 0.00 -0.00 0.00 0.00 42.46 40.89 1b64 s ILE 55 CO 0.13 -0.68 -0.18 -1.58 -0.00 0.00 0.00 174.94 172.64 1b64 s GLN 56 N -3.87 1.34 0.12 0.37 2.00 -1.20 -1.28 119.66 117.14 1b64 s GLN 56 Ca 0.06 -0.70 0.03 0.00 -2.00 0.00 0.00 55.36 52.74 1b64 s GLN 56 Cb 0.05 -1.34 -0.04 0.00 0.80 0.00 0.00 33.01 32.48 1b64 s GLN 56 CO -0.10 0.36 -0.08 0.00 -0.50 0.00 0.00 175.29 174.96 1b64 s VAL 58 N -3.48 1.63 0.44 0.00 1.01 0.13 -1.74 120.40 118.39 1b64 s VAL 58 Ca 0.15 -1.36 0.08 0.00 0.00 0.00 0.00 61.98 60.85 1b64 s VAL 58 Cb 0.04 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.53 1b64 s VAL 58 CO -0.02 -0.15 0.59 0.68 0.00 0.00 0.00 175.10 176.21 1b64 s VAL 59 N 1.33 2.90 -1.35 2.92 -7.23 -0.49 -0.22 120.40 118.26 1b64 s VAL 59 Ca -0.05 -1.00 -0.13 0.00 -1.81 0.00 0.00 61.98 59.00 1b64 s VAL 59 Cb -0.19 -2.90 0.10 0.00 0.56 0.00 0.00 36.38 33.95 1b64 s VAL 59 CO -0.07 0.00 1.98 -0.62 -0.31 0.00 0.00 175.10 176.08 1b64 n GLU 60 N -1.89 3.21 0.00 4.82 -0.58 -1.25 0.37 120.64 125.32 1b64 n GLU 60 Ca 0.09 -3.12 0.00 0.00 -0.42 0.00 0.00 57.16 53.71 1b64 n GLU 60 Cb 0.59 -3.16 0.00 0.00 -0.57 0.00 0.00 31.44 28.30 1b64 n GLU 60 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1b64 n ASP 61 N 5.53 0.00 -0.97 1.62 -0.08 0.30 -0.97 116.55 121.98 1b64 n ASP 61 Ca 0.46 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.71 1b64 n ASP 61 Cb 0.39 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.81 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 1.66 -0.39 -0.06 1.67 2.03 -1.26 -4.67 116.55 115.53 1b64 n ASP 62 Ca 0.00 -1.82 -0.05 0.00 0.52 0.00 0.00 54.79 53.43 1b64 n ASP 62 Cb 0.00 0.11 -0.04 0.00 -0.72 0.00 0.00 41.12 40.47 1b64 n ASP 62 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1b64 h LYS 63 N 0.19 0.00 -5.04 -0.67 3.64 -1.40 -3.44 116.57 109.85 1b64 h LYS 63 Ca -0.37 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.36 1b64 h LYS 63 Cb 1.43 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 33.09 1b64 h LYS 63 CO -0.15 0.29 -0.25 0.08 -2.27 0.00 0.00 179.45 177.15 1b64 s VAL 64 N -1.87 5.16 0.41 2.00 1.01 -1.26 -4.94 120.40 120.90 1b64 s VAL 64 Ca -0.09 0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.20 1b64 s VAL 64 Cb 0.00 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1b64 s VAL 64 CO 0.23 -0.02 0.57 -0.83 0.00 0.00 0.00 175.10 175.05 1b64 s GLY 65 N 1.71 1.78 0.00 4.51 0.00 -1.26 -4.66 107.32 109.40 1b64 s GLY 65 Ca 0.13 -1.50 0.25 0.00 0.00 0.00 0.00 44.72 43.60 1b64 s GLY 65 CO 0.11 -1.34 1.85 2.41 0.00 0.00 0.00 173.10 176.13 1b64 n THR 66 N -1.86 0.02 0.27 0.90 -1.04 -1.26 -3.67 114.28 107.64 1b64 n THR 66 Ca 0.05 0.01 -0.17 0.00 -2.04 0.00 0.00 64.05 61.89 1b64 n THR 66 Cb 0.59 -0.61 -0.09 0.00 -1.82 0.00 0.00 70.33 68.39 1b64 n THR 66 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 1b64 h ASP 67 N 0.00 -1.30 0.71 8.00 2.03 -1.97 1.61 116.42 125.49 1b64 h ASP 67 Ca 0.00 0.11 -0.03 0.00 -0.73 0.00 0.00 57.03 56.37 1b64 h ASP 67 Cb 0.02 0.43 0.01 0.00 -0.83 0.00 0.00 39.33 38.96 1b64 h ASP 67 CO 0.00 -0.63 -0.34 -0.03 -1.03 0.00 0.00 179.24 177.21 1b64 h MET 68 N -0.93 -0.92 -0.38 4.15 4.05 -1.98 0.32 114.93 119.24 1b64 h MET 68 Ca -0.05 0.06 0.08 0.00 -0.28 0.00 0.00 59.70 59.51 1b64 h MET 68 Cb 0.83 0.21 -0.08 0.00 -0.80 0.00 0.00 31.60 31.76 1b64 h MET 68 CO -0.08 -0.61 -0.13 -0.07 0.23 0.00 0.00 176.91 176.25 1b64 h LEU 69 N -0.95 -0.47 -0.10 3.39 4.07 -1.71 0.11 115.31 119.65 1b64 h LEU 69 Ca -0.10 0.13 0.03 0.00 0.08 0.00 0.00 57.88 58.02 1b64 h LEU 69 Cb 0.73 0.28 -0.03 0.00 1.08 0.00 0.00 40.66 42.72 1b64 h LEU 69 CO 0.16 -0.17 -0.10 -0.08 -1.08 0.00 0.00 178.44 177.17 1b64 h GLU 70 N -0.05 -0.13 0.00 1.13 4.81 0.25 1.77 114.58 122.36 1b64 h GLU 70 Ca 0.19 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1b64 h GLU 70 Cb 0.34 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1b64 h GLU 70 CO -0.42 -0.08 0.07 0.93 -0.73 0.00 0.00 179.01 178.78 1b64 h GLU 71 N -0.13 0.00 0.00 1.92 5.08 0.75 1.28 114.58 123.48 1b64 h GLU 71 Ca 0.07 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 58.00 1b64 h GLU 71 Cb 0.23 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 1b64 h GLU 71 CO -0.17 0.00 -2.50 0.94 -1.00 0.00 0.00 179.01 176.28 1b64 n GLN 72 N -2.37 0.61 0.07 2.33 -0.06 0.59 -3.42 117.38 115.14 1b64 n GLN 72 Ca -0.02 0.22 -0.12 0.00 -2.00 0.00 0.00 57.00 55.09 1b64 n GLN 72 Cb 0.11 -1.51 -0.08 0.00 -4.06 0.00 0.00 30.24 24.70 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 -0.61 0.95 0.00 1.69 2.04 0.33 -2.86 117.51 119.06 1b64 h ILE 73 Ca -0.65 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.28 1b64 h ILE 73 Cb 1.72 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 1b64 h ILE 73 CO -0.29 0.20 0.00 0.35 0.00 0.00 0.00 178.15 178.41 1b64 n THR 74 N -4.98 0.08 0.46 -0.27 -2.24 0.43 -2.67 114.28 105.10 1b64 n THR 74 Ca -0.09 0.02 0.09 0.00 -2.27 0.00 0.00 64.05 61.81 1b64 n THR 74 Cb 0.26 -0.64 0.40 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.09 1.67 -3.56 6.98 0.00 -1.08 -4.23 120.51 119.21 1b64 n ALA 75 Ca 0.16 0.01 -0.41 0.00 0.00 0.00 0.00 53.44 53.21 1b64 n ALA 75 Cb 0.11 -1.31 -0.08 0.00 0.00 0.00 0.00 19.45 18.18 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 -3.15 3.49 -1.60 0.00 0.40 -1.09 -4.87 117.98 111.17 1b64 s PHE 76 Ca 0.06 -2.15 0.27 0.00 -0.60 0.00 0.00 56.93 54.51 1b64 s PHE 76 Cb 0.09 -3.47 0.91 0.00 0.51 0.00 0.00 43.02 41.06 1b64 s PHE 76 CO 0.33 -0.95 1.66 -0.85 0.70 0.00 0.00 175.22 176.11 1b64 n GLU 77 N 4.33 0.65 -0.53 0.44 0.28 -1.26 -1.02 120.64 123.54 1b64 n GLU 77 Ca 0.01 -0.32 0.07 0.00 -0.16 0.00 0.00 57.16 56.75 1b64 n GLU 77 Cb 0.41 -1.49 0.29 0.00 1.43 0.00 0.00 31.44 32.07 1b64 n GLU 77 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1b64 n ASP 78 N -0.89 4.00 0.00 -1.84 5.75 -1.26 -4.41 116.55 117.89 1b64 n ASP 78 Ca 0.12 -2.43 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 1b64 n ASP 78 Cb 0.32 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 1b64 n ASP 78 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1b64 n TYR 79 N 0.75 -0.76 -2.95 2.11 4.02 -1.22 -4.99 117.16 114.11 1b64 n TYR 79 Ca 0.20 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.69 1b64 n TYR 79 Cb 0.78 0.23 -0.04 0.00 -0.02 0.00 0.00 39.34 40.29 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 -1.46 4.99 -0.01 -0.72 1.01 -0.18 -0.55 120.40 123.48 1b64 s VAL 80 Ca 0.00 1.62 -0.03 0.00 0.00 0.00 0.00 61.98 63.56 1b64 s VAL 80 Cb 0.00 -4.12 -0.28 0.00 0.00 0.00 0.00 36.38 31.98 1b64 s VAL 80 CO 0.00 0.22 0.81 -0.61 0.00 0.00 0.00 175.10 175.51 1b64 h GLN 81 N 6.80 0.26 0.00 2.72 4.15 0.93 -3.41 115.11 126.55 1b64 h GLN 81 Ca -0.40 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 58.58 1b64 h GLN 81 Cb 1.20 0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.05 1b64 h GLN 81 CO 0.76 1.11 0.00 0.43 -1.93 0.00 0.00 178.83 179.20 1b64 n SER 82 N -3.45 0.00 -4.87 -0.69 7.64 -1.24 -5.01 113.62 106.00 1b64 n SER 82 Ca -0.18 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.39 1b64 n SER 82 Cb 1.05 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.20 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 3.86 0.13 1.43 1.75 -1.26 -3.55 119.30 121.67 1b64 s MET 83 Ca 0.00 0.49 -0.00 0.00 -1.25 0.00 0.00 55.69 54.92 1b64 s MET 83 Cb 0.00 -2.47 0.00 0.00 2.84 0.00 0.00 34.83 35.21 1b64 s MET 83 CO 0.00 0.12 0.18 -0.25 -0.65 0.00 0.00 175.02 174.42 1b64 n ASP 84 N -0.71 -0.50 -4.68 1.11 9.92 -0.90 -5.04 116.55 115.75 1b64 n ASP 84 Ca 0.02 -1.74 -0.33 0.00 -0.53 0.00 0.00 54.79 52.22 1b64 n ASP 84 Cb 0.53 0.95 -0.09 0.00 -0.64 0.00 0.00 41.12 41.87 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 -2.57 4.16 -0.16 2.53 1.01 -1.26 -3.41 120.40 120.70 1b64 s VAL 85 Ca 0.11 -0.55 0.16 0.00 0.00 0.00 0.00 61.98 61.70 1b64 s VAL 85 Cb -0.00 -2.83 -0.22 0.00 0.00 0.00 0.00 36.38 33.32 1b64 s VAL 85 CO 0.08 0.41 0.09 0.00 0.00 0.00 0.00 175.10 175.69 1b64 n ALA 86 N 1.52 1.69 0.00 5.51 0.00 -0.83 -4.85 120.51 123.55 1b64 n ALA 86 Ca -0.15 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.21 1b64 n ALA 86 Cb 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.59 0.00 -3.28 0.00 0.00 -1.21 -4.97 120.51 108.46 1b64 n ALA 87 Ca -0.26 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.11 1b64 n ALA 87 Cb 1.01 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.41 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 -1.09 0.27 0.00 2.19 -1.26 -3.63 117.98 112.46 1b64 s PHE 88 Ca 0.00 -0.09 -0.08 0.00 0.33 0.00 0.00 56.93 57.09 1b64 s PHE 88 Cb 0.00 -0.03 -0.01 0.00 -1.31 0.00 0.00 43.02 41.67 1b64 s PHE 88 CO 0.00 -1.06 0.42 0.54 1.83 0.00 0.00 175.22 176.95 1b64 s ASN 89 N 1.86 0.22 0.67 6.13 2.20 -1.05 -5.04 114.94 119.94 1b64 s ASN 89 Ca 0.15 -1.16 -0.09 0.00 -0.94 0.00 0.00 52.86 50.81 1b64 s ASN 89 Cb -0.10 0.58 0.02 0.00 -2.00 0.00 0.00 41.25 39.74 1b64 s ASN 89 CO -0.10 -1.14 1.03 -0.75 -2.94 0.00 0.00 177.10 173.20 1b64 s LYS 90 N -3.75 2.79 0.00 3.55 2.20 -1.26 0.35 119.74 123.61 1b64 s LYS 90 Ca 0.27 0.25 0.19 0.00 -0.36 0.00 0.00 55.97 56.32 1b64 s LYS 90 Cb 0.01 -2.11 0.15 0.00 -1.51 0.00 0.00 37.83 34.37 1b64 s LYS 90 CO 0.13 -0.97 1.09 0.44 -0.36 0.00 0.00 175.35 175.68