#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 3.12 0.05 4.03 1.43 -1.26 -5.12 118.68 120.94 1b64 s LEU 2 Ca 0.00 0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 1b64 s LEU 2 Cb 0.00 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 1b64 s LEU 2 CO 0.00 -1.35 0.09 -0.69 0.23 0.00 0.00 176.35 174.64 1b64 s VAL 3 N -2.93 0.15 0.00 -1.59 1.01 -1.26 -5.04 120.40 110.75 1b64 s VAL 3 Ca 0.59 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1b64 s VAL 3 Cb -0.10 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.14 1b64 s VAL 3 CO 0.41 -0.70 0.00 0.00 0.00 0.00 0.00 175.10 174.81 1b64 n ALA 4 N 0.42 -2.47 -2.02 5.51 0.00 -1.26 -4.83 120.51 115.86 1b64 n ALA 4 Ca -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.09 1b64 n ALA 4 Cb 0.60 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.06 2.67 0.28 0.00 -0.14 -1.26 -2.97 119.74 118.26 1b64 s LYS 5 Ca 0.00 -1.37 -0.15 0.00 -1.36 0.00 0.00 55.97 53.09 1b64 s LYS 5 Cb 0.00 -2.72 0.01 0.00 -1.68 0.00 0.00 37.83 33.44 1b64 s LYS 5 CO 0.00 -0.45 0.59 -1.12 -0.76 0.00 0.00 175.35 173.61 1b64 s SER 6 N -4.44 -0.08 0.04 2.83 0.01 0.16 -3.86 113.70 108.34 1b64 s SER 6 Ca 0.57 -0.87 0.06 0.00 1.31 0.00 0.00 55.95 57.02 1b64 s SER 6 Cb -0.09 0.67 -0.02 0.00 0.21 0.00 0.00 66.02 66.79 1b64 s SER 6 CO 0.35 -1.28 -0.17 -0.55 0.41 0.00 0.00 173.24 172.00 1b64 s SER 7 N -3.00 1.98 -0.07 2.44 0.15 -1.02 -0.47 113.70 113.71 1b64 s SER 7 Ca 0.18 -0.47 -0.00 0.00 0.70 0.00 0.00 55.95 56.36 1b64 s SER 7 Cb -0.03 -0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.16 1b64 s SER 7 CO 0.09 0.09 -0.04 -0.63 1.20 0.00 0.00 173.24 173.95 1b64 s ILE 8 N -0.81 0.66 -0.60 6.45 1.09 -1.16 -2.98 121.20 123.87 1b64 s ILE 8 Ca 0.04 -0.11 -0.20 0.00 -1.10 0.00 0.00 60.65 59.28 1b64 s ILE 8 Cb -0.08 -0.72 0.09 0.00 -1.06 0.00 0.00 42.46 40.68 1b64 s ILE 8 CO 0.01 0.29 0.76 -0.22 -0.10 0.00 0.00 174.94 175.69 1b64 s LEU 9 N 1.49 5.06 0.32 2.97 2.96 -1.24 -3.21 118.68 127.04 1b64 s LEU 9 Ca -0.01 -1.24 -0.17 0.00 -0.22 0.00 0.00 54.13 52.49 1b64 s LEU 9 Cb -0.13 -2.36 -0.09 0.00 0.50 0.00 0.00 46.19 44.10 1b64 s LEU 9 CO -0.04 -1.17 0.78 -0.76 -1.32 0.00 0.00 176.35 173.84 1b64 s LEU 10 N 3.05 4.10 -0.29 -0.68 1.02 -0.59 -0.46 118.68 124.83 1b64 s LEU 10 Ca 0.15 1.40 -0.01 0.00 0.02 0.00 0.00 54.13 55.69 1b64 s LEU 10 Cb -0.22 -4.07 0.09 0.00 0.02 0.00 0.00 46.19 42.01 1b64 s LEU 10 CO 0.08 -0.19 0.08 -0.62 0.02 0.00 0.00 176.35 175.72 1b64 s ASP 11 N -2.12 3.88 0.10 2.29 2.15 -1.08 -1.22 116.67 120.67 1b64 s ASP 11 Ca 0.53 -1.50 0.02 0.00 0.43 0.00 0.00 52.55 52.03 1b64 s ASP 11 Cb -0.11 -0.87 -0.04 0.00 -0.30 0.00 0.00 42.92 41.59 1b64 s ASP 11 CO 0.18 -0.38 0.20 -0.69 -0.17 0.00 0.00 175.17 174.30 1b64 s VAL 12 N 1.61 5.13 -0.12 1.11 1.01 0.14 -2.25 120.40 127.04 1b64 s VAL 12 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1b64 s VAL 12 Cb -0.17 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1b64 s VAL 12 CO -0.21 0.05 -0.13 -0.75 0.00 0.00 0.00 175.10 174.07 1b64 s LYS 13 N -2.73 3.23 0.60 2.72 2.20 -1.20 -1.57 119.74 123.00 1b64 s LYS 13 Ca 0.33 -0.68 -0.15 0.00 -0.36 0.00 0.00 55.97 55.12 1b64 s LYS 13 Cb -0.12 -2.60 -0.03 0.00 -1.51 0.00 0.00 37.83 33.57 1b64 s LYS 13 CO 0.27 0.30 1.05 -1.25 -0.36 0.00 0.00 175.35 175.35 1b64 s PRO 14 N 0.13 3.34 0.53 4.03 0.04 -1.26 0.14 135.00 141.94 1b64 s PRO 14 Ca -0.06 1.14 0.31 0.00 0.04 0.00 0.00 61.00 62.43 1b64 s PRO 14 Cb -0.15 -2.04 1.42 0.00 0.04 0.00 0.00 34.50 33.77 1b64 s PRO 14 CO 0.05 -0.79 2.02 -1.49 0.04 0.00 0.00 177.00 176.83 1b64 h TRP 15 N 0.33 0.00 0.00 0.56 -0.00 -1.45 -3.39 115.95 112.00 1b64 h TRP 15 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.43 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 0.60 0.10 0.00 -0.25 -0.00 0.00 0.00 178.44 178.88 1b64 n ASP 16 N -3.35 0.00 -0.19 -3.49 8.00 -1.26 -4.94 116.55 111.31 1b64 n ASP 16 Ca -0.01 0.00 0.30 0.00 0.71 0.00 0.00 54.79 55.79 1b64 n ASP 16 Cb 0.28 0.00 0.65 0.00 -0.02 0.00 0.00 41.12 42.04 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 0.00 0.00 -0.15 -2.24 3.04 -1.91 0.67 116.42 115.83 1b64 h ASP 17 Ca 0.00 0.00 0.01 0.00 -3.24 0.00 0.00 57.03 53.80 1b64 h ASP 17 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 1b64 h ASP 17 CO 0.00 0.00 0.06 1.05 -2.04 0.00 0.00 179.24 178.31 1b64 h GLU 18 N 0.00 0.13 -5.35 4.15 4.11 -1.92 -3.41 114.58 112.30 1b64 h GLU 18 Ca 0.46 -0.01 -0.56 0.00 0.07 0.00 0.00 59.36 59.33 1b64 h GLU 18 Cb 2.26 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 31.42 1b64 h GLU 18 CO -0.00 0.09 1.64 2.41 0.07 0.00 0.00 179.01 183.21 1b64 n THR 19 N -5.04 0.00 -1.47 -1.06 -1.04 0.23 -4.68 114.28 101.22 1b64 n THR 19 Ca -0.04 -0.14 -0.45 0.00 -2.04 0.00 0.00 64.05 61.37 1b64 n THR 19 Cb 0.05 -0.94 -0.08 0.00 -1.82 0.00 0.00 70.33 67.54 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 10.74 1.64 0.26 8.00 -0.08 -1.26 -4.75 116.55 131.10 1b64 n ASP 20 Ca 0.58 0.16 0.14 0.00 -1.51 0.00 0.00 54.79 54.16 1b64 n ASP 20 Cb 0.11 -1.23 0.70 0.00 2.34 0.00 0.00 41.12 43.04 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 13.77 0.00 0.04 -0.67 2.86 -1.87 0.15 114.93 129.22 1b64 h MET 21 Ca -0.20 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.18 1b64 h MET 21 Cb 1.31 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.99 1b64 h MET 21 CO 1.15 0.10 -1.06 0.00 1.06 0.00 0.00 176.91 178.15 1b64 h ALA 22 N 1.90 0.20 0.00 6.32 0.00 -1.98 -1.27 119.26 124.44 1b64 h ALA 22 Ca -0.00 -0.74 -0.12 0.00 0.00 0.00 0.00 54.91 54.05 1b64 h ALA 22 Cb 0.46 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1b64 h ALA 22 CO 0.01 0.77 -0.47 -0.22 0.00 0.00 0.00 179.25 179.35 1b64 h LYS 23 N 0.27 0.31 -0.93 0.00 1.63 -1.81 0.11 116.57 116.15 1b64 h LYS 23 Ca -0.12 -0.34 0.02 0.00 -0.85 0.00 0.00 60.65 59.36 1b64 h LYS 23 Cb 1.72 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 33.40 1b64 h LYS 23 CO 0.19 1.04 0.62 1.25 -3.45 0.00 0.00 179.45 179.10 1b64 h LEU 24 N -0.28 1.05 -0.42 5.20 6.46 -0.80 1.25 115.31 127.78 1b64 h LEU 24 Ca -0.06 -0.02 -0.17 0.00 -0.12 0.00 0.00 57.88 57.51 1b64 h LEU 24 Cb 1.21 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.86 1b64 h LEU 24 CO 0.09 0.75 -0.79 -0.08 -0.62 0.00 0.00 178.44 177.79 1b64 h GLU 25 N 1.23 0.10 0.14 1.25 4.81 -1.25 -2.76 114.58 118.10 1b64 h GLU 25 Ca 0.35 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1b64 h GLU 25 Cb -0.09 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1b64 h GLU 25 CO -0.09 0.84 -0.07 1.49 -0.73 0.00 0.00 179.01 180.45 1b64 h GLU 26 N 0.06 -0.18 -0.83 1.92 4.81 0.32 -3.11 114.58 117.57 1b64 h GLU 26 Ca -0.02 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.32 1b64 h GLU 26 Cb 1.39 0.04 -0.12 0.00 0.63 0.00 0.00 28.75 30.69 1b64 h GLU 26 CO 0.11 -0.12 -0.52 0.00 -0.73 0.00 0.00 179.01 177.75 1b64 h VAL 28 N -0.10 0.01 -0.39 0.00 2.07 -1.62 1.42 116.25 117.64 1b64 h VAL 28 Ca 0.19 -0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.59 1b64 h VAL 28 Cb 0.50 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1b64 h VAL 28 CO -0.85 0.00 -0.21 0.03 0.02 0.00 0.00 177.57 176.55 1b64 h ARG 29 N 0.00 0.83 -0.90 1.57 3.08 0.11 -2.83 114.38 116.25 1b64 h ARG 29 Ca 0.57 -0.37 0.19 0.00 0.07 0.00 0.00 59.98 60.44 1b64 h ARG 29 Cb 1.12 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 31.09 1b64 h ARG 29 CO -0.95 1.01 0.59 0.66 -1.07 0.00 0.00 179.97 180.20 1b64 h SER 30 N 0.63 0.48 -1.81 7.04 4.64 0.68 -3.41 113.55 121.81 1b64 h SER 30 Ca 0.08 0.04 -0.67 0.00 -0.47 0.00 0.00 61.79 60.78 1b64 h SER 30 Cb 0.77 -0.05 0.04 0.00 -0.31 0.00 0.00 62.40 62.86 1b64 h SER 30 CO 0.06 0.21 0.69 -0.38 -0.87 0.00 0.00 176.83 176.54 1b64 n ILE 31 N -4.54 0.13 -4.24 0.95 5.41 0.28 -4.96 119.36 112.39 1b64 n ILE 31 Ca 0.19 -0.02 -0.20 0.00 1.00 0.00 0.00 62.75 63.72 1b64 n ILE 31 Cb 0.63 -1.16 -0.12 0.00 -0.71 0.00 0.00 39.64 38.28 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 1.63 1.02 -0.15 0.38 0.74 -1.26 -4.93 119.66 117.09 1b64 s GLN 32 Ca 0.87 -1.16 -0.32 0.00 0.05 0.00 0.00 55.36 54.80 1b64 s GLN 32 Cb -0.90 -1.06 0.13 0.00 1.10 0.00 0.00 33.01 32.29 1b64 s GLN 32 CO 0.50 0.22 1.11 0.00 -0.55 0.00 0.00 175.29 176.57 1b64 s ALA 33 N -1.65 -1.99 0.19 1.58 0.00 -1.26 -5.05 121.76 113.57 1b64 s ALA 33 Ca 0.06 1.49 -0.31 0.00 0.00 0.00 0.00 51.96 53.19 1b64 s ALA 33 Cb -0.08 -0.23 -0.10 0.00 0.00 0.00 0.00 23.12 22.71 1b64 s ALA 33 CO 0.04 -0.53 1.55 0.34 0.00 0.00 0.00 175.76 177.16 1b64 s ASP 34 N -1.95 6.58 0.00 0.00 -1.08 -1.26 -1.06 116.67 117.90 1b64 s ASP 34 Ca 0.06 2.65 0.00 0.00 -0.52 0.00 0.00 52.55 54.74 1b64 s ASP 34 Cb -0.01 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 1b64 s ASP 34 CO -0.05 -0.81 0.00 0.61 0.52 0.00 0.00 175.17 175.44 1b64 n GLY 35 N 3.44 0.29 3.62 2.66 0.00 -1.26 -4.86 105.19 109.07 1b64 n GLY 35 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 3.97 -0.04 0.99 2.96 -0.22 -3.88 118.68 122.46 1b64 s LEU 36 Ca 0.00 0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 1b64 s LEU 36 Cb 0.00 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.63 1b64 s LEU 36 CO 0.00 0.06 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.30 1b64 s VAL 37 N 1.09 0.89 -1.00 1.68 1.01 -1.23 -4.54 120.40 118.31 1b64 s VAL 37 Ca 0.07 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 1b64 s VAL 37 Cb -0.14 -0.80 0.25 0.00 0.00 0.00 0.00 36.38 35.69 1b64 s VAL 37 CO 0.04 0.28 0.96 0.26 0.00 0.00 0.00 175.10 176.64 1b64 s TRP 38 N 0.32 4.07 0.20 5.22 0.52 -1.26 0.82 118.94 128.84 1b64 s TRP 38 Ca -0.06 -2.63 -0.19 0.00 0.02 0.00 0.00 56.10 53.24 1b64 s TRP 38 Cb -0.11 -3.70 0.17 0.00 -1.15 0.00 0.00 33.47 28.69 1b64 s TRP 38 CO 0.01 -0.91 1.57 0.78 0.02 0.00 0.00 176.95 178.42 1b64 h GLY 39 N 6.77 -0.02 0.00 0.98 0.00 -1.83 -3.46 103.07 105.52 1b64 h GLY 39 Ca 0.15 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.94 1b64 h GLY 39 CO 0.92 -0.21 0.00 1.44 0.00 0.00 0.00 176.54 178.69 1b64 n SER 40 N -5.45 0.00 -4.92 0.19 7.64 -1.17 -5.05 113.62 104.87 1b64 n SER 40 Ca 0.07 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.68 1b64 n SER 40 Cb 0.37 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.62 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 5.24 0.15 6.43 1.04 -1.26 -2.81 113.70 122.48 1b64 s SER 41 Ca 0.00 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.08 1b64 s SER 41 Cb 0.00 -1.47 -0.04 0.00 0.10 0.00 0.00 66.02 64.61 1b64 s SER 41 CO 0.00 -1.33 0.04 -1.59 0.98 0.00 0.00 173.24 171.34 1b64 s LYS 42 N -5.14 1.02 0.14 4.02 -2.85 0.01 -4.87 119.74 112.08 1b64 s LYS 42 Ca 0.57 -1.49 0.10 0.00 -1.00 0.00 0.00 55.97 54.15 1b64 s LYS 42 Cb -0.11 0.02 -0.04 0.00 -2.06 0.00 0.00 37.83 35.64 1b64 s LYS 42 CO 0.46 -0.21 -0.22 -0.51 0.10 0.00 0.00 175.35 174.97 1b64 s LEU 43 N -3.11 2.37 -0.29 2.77 2.01 -1.26 -3.36 118.68 117.81 1b64 s LEU 43 Ca 0.24 -0.78 0.03 0.00 0.01 0.00 0.00 54.13 53.63 1b64 s LEU 43 Cb 0.07 -1.00 0.17 0.00 0.01 0.00 0.00 46.19 45.44 1b64 s LEU 43 CO 0.03 0.07 0.46 -0.69 1.01 0.00 0.00 176.35 177.23 1b64 s VAL 44 N -1.47 -0.73 0.28 -1.59 1.01 -1.19 -4.98 120.40 111.73 1b64 s VAL 44 Ca 0.13 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 1b64 s VAL 44 Cb -0.08 -0.97 -0.09 0.00 0.00 0.00 0.00 36.38 35.23 1b64 s VAL 44 CO 0.06 -0.21 1.08 -2.16 0.00 0.00 0.00 175.10 173.87 1b64 s PRO 45 N 2.58 4.63 -0.23 2.72 0.04 -1.26 0.92 135.00 144.40 1b64 s PRO 45 Ca 0.10 1.75 -0.00 0.00 0.04 0.00 0.00 61.00 62.89 1b64 s PRO 45 Cb -0.12 -3.15 -0.14 0.00 0.04 0.00 0.00 34.50 31.13 1b64 s PRO 45 CO -0.28 0.22 -0.22 1.55 0.04 0.00 0.00 177.00 178.31 1b64 n VAL 46 N 1.12 1.31 0.00 -0.36 3.14 -1.24 -4.89 118.33 117.41 1b64 n VAL 46 Ca -0.01 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 1b64 n VAL 46 Cb 0.45 -1.38 0.00 0.00 -1.06 0.00 0.00 33.84 31.85 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 2.28 3.99 2.69 7.55 0.00 -1.26 -5.11 105.19 115.33 1b64 n GLY 47 Ca -0.41 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 1b64 n GLY 47 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b64 s TYR 48 N 3.90 2.01 0.00 1.61 5.04 -1.26 -4.81 117.35 123.84 1b64 s TYR 48 Ca 0.00 -2.48 0.00 0.00 -2.44 0.00 0.00 57.07 52.15 1b64 s TYR 48 Cb 0.00 -1.84 0.00 0.00 0.35 0.00 0.00 41.96 40.47 1b64 s TYR 48 CO 0.00 -0.77 0.00 0.41 -1.34 0.00 0.00 175.55 173.85 1b64 n GLY 49 N 3.34 2.75 3.89 8.97 0.00 -1.26 -5.12 105.19 117.76 1b64 n GLY 49 Ca 0.12 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 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 4.82 0.21 -0.61 1.09 -1.26 -4.60 121.20 120.86 1b64 s ILE 50 Ca 0.00 -1.16 -0.08 0.00 -1.10 0.00 0.00 60.65 58.31 1b64 s ILE 50 Cb 0.00 -3.59 -0.02 0.00 -1.06 0.00 0.00 42.46 37.79 1b64 s ILE 50 CO 0.00 -0.30 0.32 -0.54 -0.10 0.00 0.00 174.94 174.32 1b64 s LYS 51 N -3.77 1.34 -0.11 2.79 1.02 -1.26 -3.68 119.74 116.07 1b64 s LYS 51 Ca 0.33 -1.35 -0.25 0.00 0.02 0.00 0.00 55.97 54.72 1b64 s LYS 51 Cb -0.09 0.39 -0.02 0.00 -0.52 0.00 0.00 37.83 37.58 1b64 s LYS 51 CO 0.27 -0.51 0.80 0.21 -0.92 0.00 0.00 175.35 175.20 1b64 s LYS 52 N -4.05 4.38 -1.25 1.68 2.20 0.26 -4.61 119.74 118.35 1b64 s LYS 52 Ca 0.26 1.01 -0.10 0.00 -0.36 0.00 0.00 55.97 56.78 1b64 s LYS 52 Cb 0.03 -3.51 0.18 0.00 -1.51 0.00 0.00 37.83 33.01 1b64 s LYS 52 CO 0.08 -0.15 1.74 -0.11 -0.36 0.00 0.00 175.35 176.54 1b64 n LEU 53 N 4.54 6.29 -4.82 5.43 -0.00 -0.60 -3.19 117.00 124.64 1b64 n LEU 53 Ca 0.02 -4.65 -0.37 0.00 -0.00 0.00 0.00 56.01 51.02 1b64 n LEU 53 Cb 0.50 -1.50 -0.06 0.00 -0.00 0.00 0.00 43.42 42.36 1b64 n LEU 53 CO 0.48 1.25 -0.04 -1.10 -0.00 0.00 0.00 177.39 177.98 1b64 s GLN 54 N 0.43 3.83 0.11 1.96 -0.21 -1.21 -0.69 119.66 123.88 1b64 s GLN 54 Ca 0.40 0.10 0.01 0.00 0.02 0.00 0.00 55.36 55.88 1b64 s GLN 54 Cb 0.06 -3.27 -0.04 0.00 1.00 0.00 0.00 33.01 30.76 1b64 s GLN 54 CO 0.01 0.60 -0.03 0.96 -2.12 0.00 0.00 175.29 174.70 1b64 s ILE 55 N -0.62 0.55 0.04 1.08 -0.00 -0.35 -0.81 121.20 121.09 1b64 s ILE 55 Ca 0.18 -1.92 0.05 0.00 -0.00 0.00 0.00 60.65 58.96 1b64 s ILE 55 Cb -0.14 -1.78 -0.02 0.00 -0.00 0.00 0.00 42.46 40.52 1b64 s ILE 55 CO 0.07 -0.77 -0.15 -1.58 -0.00 0.00 0.00 174.94 172.50 1b64 s GLN 56 N -3.89 1.01 0.30 0.37 0.74 -1.12 -1.55 119.66 115.52 1b64 s GLN 56 Ca 0.15 -0.76 0.02 0.00 0.05 0.00 0.00 55.36 54.82 1b64 s GLN 56 Cb 0.06 -1.02 -0.02 0.00 1.10 0.00 0.00 33.01 33.12 1b64 s GLN 56 CO -0.03 0.26 0.30 0.00 -0.55 0.00 0.00 175.29 175.27 1b64 n VAL 58 N -0.52 -0.20 -2.23 0.00 0.31 0.24 -2.97 118.33 112.97 1b64 n VAL 58 Ca 0.04 -4.06 -0.26 0.00 -0.01 0.00 0.00 64.34 60.05 1b64 n VAL 58 Cb 0.63 -1.89 0.12 0.00 -0.91 0.00 0.00 33.84 31.79 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 -0.94 2.13 0.76 2.52 -7.23 0.38 -3.52 120.40 114.50 1b64 s VAL 59 Ca 0.34 -0.28 -0.08 0.00 -1.81 0.00 0.00 61.98 60.15 1b64 s VAL 59 Cb 0.09 -2.86 0.09 0.00 0.56 0.00 0.00 36.38 34.27 1b64 s VAL 59 CO -0.14 0.00 1.08 -0.70 -0.31 0.00 0.00 175.10 175.03 1b64 s GLU 60 N -5.44 1.89 0.00 4.82 -6.30 -1.25 0.36 118.70 112.77 1b64 s GLU 60 Ca 0.67 -0.30 0.07 0.00 -2.50 0.00 0.00 54.97 52.90 1b64 s GLU 60 Cb -0.07 -2.11 0.11 0.00 0.00 0.00 0.00 34.13 32.07 1b64 s GLU 60 CO 0.47 -1.48 0.91 -3.47 0.02 0.00 0.00 175.26 171.71 1b64 n ASP 61 N -3.09 2.02 -0.81 -1.70 2.03 -1.16 -4.54 116.55 109.29 1b64 n ASP 61 Ca 0.10 -1.60 -0.02 0.00 0.52 0.00 0.00 54.79 53.78 1b64 n ASP 61 Cb 0.60 -0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.91 1b64 n ASP 61 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1b64 n ASP 62 N 0.27 -0.31 0.00 1.67 -0.08 -1.26 -5.00 116.55 111.84 1b64 n ASP 62 Ca 0.05 -1.62 0.00 0.00 -1.51 0.00 0.00 54.79 51.71 1b64 n ASP 62 Cb 0.25 0.07 0.00 0.00 2.34 0.00 0.00 41.12 43.79 1b64 n ASP 62 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1b64 n LYS 63 N 0.05 0.00 -4.67 -0.67 4.81 -1.26 -5.03 118.16 111.39 1b64 n LYS 63 Ca -0.11 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.01 1b64 n LYS 63 Cb 0.67 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.65 1b64 n LYS 63 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1b64 s VAL 64 N -0.35 1.34 0.38 3.15 0.11 -1.26 -5.05 120.40 118.72 1b64 s VAL 64 Ca 0.00 -1.96 0.05 0.00 -2.93 0.00 0.00 61.98 57.14 1b64 s VAL 64 Cb 0.00 -2.29 -0.02 0.00 -1.53 0.00 0.00 36.38 32.53 1b64 s VAL 64 CO 0.00 0.00 0.19 -0.83 -3.33 0.00 0.00 175.10 171.13 1b64 s GLY 65 N -3.88 2.53 0.45 6.54 0.00 -1.26 -4.44 107.32 107.25 1b64 s GLY 65 Ca 0.12 -1.50 0.25 0.00 0.00 0.00 0.00 44.72 43.59 1b64 s GLY 65 CO 0.07 -1.70 1.77 -0.84 0.00 0.00 0.00 173.10 172.39 1b64 h THR 66 N 1.90 0.34 0.00 0.90 2.02 -2.01 -3.34 112.91 112.73 1b64 h THR 66 Ca -0.31 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 65.77 1b64 h THR 66 Cb 1.26 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 1b64 h THR 66 CO 0.49 0.16 0.00 -0.90 0.37 0.00 0.00 175.52 175.64 1b64 n ASP 67 N -3.23 0.00 -0.36 4.18 5.75 -1.26 -0.18 116.55 121.44 1b64 n ASP 67 Ca 0.01 0.86 -0.05 0.00 -0.01 0.00 0.00 54.79 55.60 1b64 n ASP 67 Cb 0.46 -0.36 -0.03 0.00 -1.03 0.00 0.00 41.12 40.16 1b64 n ASP 67 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1b64 n MET 68 N -2.28 -0.30 -0.05 0.11 1.56 -1.25 -0.22 117.12 114.69 1b64 n MET 68 Ca 0.00 1.37 -0.07 0.00 -0.27 0.00 0.00 57.70 58.73 1b64 n MET 68 Cb 0.00 -2.03 -0.05 0.00 2.15 0.00 0.00 33.22 33.29 1b64 n MET 68 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1b64 h LEU 69 N 0.00 -0.88 -0.54 -0.89 3.38 -1.48 0.06 115.31 114.96 1b64 h LEU 69 Ca 0.23 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.39 1b64 h LEU 69 Cb 0.46 0.36 -0.10 0.00 0.09 0.00 0.00 40.66 41.46 1b64 h LEU 69 CO -0.87 -0.21 -0.48 -0.08 0.09 0.00 0.00 178.44 176.89 1b64 h GLU 70 N -0.22 -0.26 -0.57 1.13 4.81 0.17 1.84 114.58 121.48 1b64 h GLU 70 Ca 0.03 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.44 1b64 h GLU 70 Cb 0.30 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1b64 h GLU 70 CO -0.26 -0.17 0.74 1.49 -0.73 0.00 0.00 179.01 180.08 1b64 h GLU 71 N -0.27 0.00 0.06 1.92 4.22 0.21 1.09 114.58 121.81 1b64 h GLU 71 Ca 0.14 0.00 -0.38 0.00 0.08 0.00 0.00 59.36 59.21 1b64 h GLU 71 Cb 0.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1b64 h GLU 71 CO -0.67 0.00 -2.24 0.94 -2.18 0.00 0.00 179.01 174.86 1b64 n GLN 72 N -3.39 0.70 0.05 1.92 7.27 0.44 -3.19 117.38 121.18 1b64 n GLN 72 Ca 0.12 0.21 -0.02 0.00 0.07 0.00 0.00 57.00 57.38 1b64 n GLN 72 Cb 0.95 -1.61 -0.01 0.00 2.41 0.00 0.00 30.24 31.97 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 -0.00 0.00 -0.05 1.69 2.04 0.66 -3.24 117.51 118.60 1b64 h ILE 73 Ca -0.51 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.24 1b64 h ILE 73 Cb 1.95 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1b64 h ILE 73 CO -0.02 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.22 1b64 h THR 74 N -0.28 0.35 -1.91 -0.27 1.03 0.76 -2.17 112.91 110.42 1b64 h THR 74 Ca -0.01 0.00 0.56 0.00 -0.01 0.00 0.00 66.41 66.94 1b64 h THR 74 Cb 0.11 0.93 -0.08 0.00 -1.07 0.00 0.00 68.15 68.04 1b64 h THR 74 CO 0.02 0.00 1.37 0.00 -0.01 0.00 0.00 175.52 176.90 1b64 n ALA 75 N -2.24 1.84 -2.21 0.00 0.00 -1.13 -1.76 120.51 115.00 1b64 n ALA 75 Ca -0.02 0.65 -0.42 0.00 0.00 0.00 0.00 53.44 53.65 1b64 n ALA 75 Cb 0.17 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1b64 n ALA 75 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1b64 n PHE 76 N -3.92 3.01 0.15 0.00 3.72 -0.82 -4.71 117.46 114.88 1b64 n PHE 76 Ca 0.44 -2.82 0.09 0.00 -0.05 0.00 0.00 57.45 55.10 1b64 n PHE 76 Cb 1.96 -2.05 0.46 0.00 -0.94 0.00 0.00 39.48 38.91 1b64 n PHE 76 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1b64 n GLU 77 N 4.18 0.11 -0.20 -1.08 -0.00 -0.72 0.19 120.64 123.11 1b64 n GLU 77 Ca 0.43 0.59 0.03 0.00 -0.00 0.00 0.00 57.16 58.21 1b64 n GLU 77 Cb 0.36 -1.85 0.12 0.00 -0.00 0.00 0.00 31.44 30.07 1b64 n GLU 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1b64 n ASP 78 N -2.09 1.89 0.00 -1.84 -0.08 -1.26 -4.13 116.55 109.04 1b64 n ASP 78 Ca -0.01 -2.15 0.00 0.00 -1.51 0.00 0.00 54.79 51.12 1b64 n ASP 78 Cb 0.04 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.14 1b64 n ASP 78 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1b64 n TYR 79 N 0.20 -0.23 -2.87 -0.67 4.01 0.75 -4.99 117.16 113.36 1b64 n TYR 79 Ca 0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.41 1b64 n TYR 79 Cb 0.37 0.08 -0.04 0.00 -0.31 0.00 0.00 39.34 39.44 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 -1.16 4.93 0.01 -0.72 1.01 0.13 -1.18 120.40 123.42 1b64 s VAL 80 Ca 0.00 1.73 0.08 0.00 0.00 0.00 0.00 61.98 63.79 1b64 s VAL 80 Cb 0.00 -4.17 -0.23 0.00 0.00 0.00 0.00 36.38 31.97 1b64 s VAL 80 CO 0.00 0.15 0.85 -0.61 0.00 0.00 0.00 175.10 175.50 1b64 h GLN 81 N 6.93 0.04 0.00 2.72 4.15 0.95 -3.42 115.11 126.48 1b64 h GLN 81 Ca -0.38 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1b64 h GLN 81 Cb 1.19 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1b64 h GLN 81 CO 0.78 0.75 0.00 0.43 -1.93 0.00 0.00 178.83 178.86 1b64 n SER 82 N -3.20 0.00 -4.82 -0.69 7.64 -1.22 -5.00 113.62 106.33 1b64 n SER 82 Ca -0.13 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.43 1b64 n SER 82 Cb 1.02 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 64.18 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 3.90 0.12 1.43 1.75 -1.26 -3.21 119.30 122.02 1b64 s MET 83 Ca 0.00 1.11 -0.03 0.00 -1.25 0.00 0.00 55.69 55.52 1b64 s MET 83 Cb 0.00 -2.12 0.01 0.00 2.84 0.00 0.00 34.83 35.56 1b64 s MET 83 CO 0.00 -0.32 0.21 -0.25 -0.65 0.00 0.00 175.02 174.01 1b64 n ASP 84 N -1.28 -0.61 -4.58 1.11 9.92 -0.95 -5.00 116.55 115.14 1b64 n ASP 84 Ca 0.08 -1.56 -0.34 0.00 -0.53 0.00 0.00 54.79 52.43 1b64 n ASP 84 Cb 0.54 1.06 -0.11 0.00 -0.64 0.00 0.00 41.12 41.97 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 -2.65 4.12 -0.13 2.53 1.01 -1.26 -2.64 120.40 121.38 1b64 s VAL 85 Ca 0.07 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1b64 s VAL 85 Cb -0.01 -2.78 -0.23 0.00 0.00 0.00 0.00 36.38 33.36 1b64 s VAL 85 CO 0.05 0.54 0.32 0.00 0.00 0.00 0.00 175.10 176.00 1b64 n ALA 86 N 2.94 1.26 -3.78 5.51 0.00 0.39 -4.73 120.51 122.11 1b64 n ALA 86 Ca -0.18 -0.84 0.14 0.00 0.00 0.00 0.00 53.44 52.56 1b64 n ALA 86 Cb 0.53 -0.56 0.01 0.00 0.00 0.00 0.00 19.45 19.42 1b64 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b64 n ALA 87 N -2.86 -2.87 -3.30 0.00 0.00 -0.92 -5.00 120.51 105.56 1b64 n ALA 87 Ca -0.30 -0.58 -0.04 0.00 0.00 0.00 0.00 53.44 52.52 1b64 n ALA 87 Cb 1.06 0.06 -0.05 0.00 0.00 0.00 0.00 19.45 20.51 1b64 n ALA 87 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1b64 s PHE 88 N -2.15 -1.12 0.21 0.00 0.40 -1.26 -3.60 117.98 110.45 1b64 s PHE 88 Ca 0.24 1.23 -0.00 0.00 -0.60 0.00 0.00 56.93 57.80 1b64 s PHE 88 Cb -0.00 0.25 -0.04 0.00 0.51 0.00 0.00 43.02 43.74 1b64 s PHE 88 CO -0.01 -0.76 0.11 -0.80 0.70 0.00 0.00 175.22 174.46 1b64 s ASN 89 N 2.67 0.53 -0.13 1.36 0.01 -1.16 -5.08 114.94 113.15 1b64 s ASN 89 Ca 0.14 -1.37 -0.09 0.00 -0.71 0.00 0.00 52.86 50.83 1b64 s ASN 89 Cb -0.15 0.30 -0.04 0.00 0.41 0.00 0.00 41.25 41.76 1b64 s ASN 89 CO -0.18 -0.79 0.18 -1.59 -1.51 0.00 0.00 177.10 173.22 1b64 s LYS 90 N -4.10 3.76 0.00 -0.60 -2.85 -1.26 -2.43 119.74 112.26 1b64 s LYS 90 Ca 0.37 -0.07 0.00 0.00 -1.00 0.00 0.00 55.97 55.27 1b64 s LYS 90 Cb 0.07 -3.27 0.00 0.00 -2.06 0.00 0.00 37.83 32.57 1b64 s LYS 90 CO 0.11 0.60 0.00 -0.89 0.10 0.00 0.00 175.35 175.27