#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 2.60 0.24 4.03 1.43 -1.26 -5.06 118.68 120.66 1b64 s LEU 2 Ca 0.00 1.70 -0.07 0.00 -1.03 0.00 0.00 54.13 54.73 1b64 s LEU 2 Cb 0.00 -4.22 -0.02 0.00 0.03 0.00 0.00 46.19 41.98 1b64 s LEU 2 CO 0.00 -2.47 0.34 -0.69 0.23 0.00 0.00 176.35 173.76 1b64 s VAL 3 N -2.88 0.00 -0.16 -1.59 1.01 -1.26 -5.06 120.40 110.47 1b64 s VAL 3 Ca 0.63 -1.66 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 1b64 s VAL 3 Cb -0.18 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.88 1b64 s VAL 3 CO 0.57 0.00 0.18 0.00 0.00 0.00 0.00 175.10 175.84 1b64 n ALA 4 N -0.35 -3.55 -2.45 5.51 0.00 -1.26 -4.76 120.51 113.65 1b64 n ALA 4 Ca 0.00 1.75 -0.26 0.00 0.00 0.00 0.00 53.44 54.93 1b64 n ALA 4 Cb 0.63 -3.41 -0.05 0.00 0.00 0.00 0.00 19.45 16.62 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 -0.80 2.25 0.11 0.00 -0.14 -1.26 -1.74 119.74 118.16 1b64 s LYS 5 Ca -0.20 -1.95 -0.07 0.00 -1.36 0.00 0.00 55.97 52.39 1b64 s LYS 5 Cb 0.01 -1.98 -0.01 0.00 -1.68 0.00 0.00 37.83 34.17 1b64 s LYS 5 CO 0.62 -0.30 0.18 0.45 -0.76 0.00 0.00 175.35 175.54 1b64 s SER 6 N -4.02 0.15 -0.02 2.83 0.15 0.32 -4.21 113.70 108.89 1b64 s SER 6 Ca 0.35 -0.80 0.01 0.00 0.70 0.00 0.00 55.95 56.21 1b64 s SER 6 Cb 0.01 0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 64.64 1b64 s SER 6 CO 0.20 -0.76 0.01 -0.94 1.20 0.00 0.00 173.24 172.94 1b64 s SER 7 N -2.91 5.18 -0.30 5.45 1.04 0.20 -0.57 113.70 121.79 1b64 s SER 7 Ca 0.10 0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.55 1b64 s SER 7 Cb 0.05 -1.39 0.12 0.00 0.10 0.00 0.00 66.02 64.91 1b64 s SER 7 CO -0.07 0.30 0.23 -0.63 0.98 0.00 0.00 173.24 174.05 1b64 s ILE 8 N -1.05 -0.21 -0.14 -1.02 1.09 -0.66 -2.57 121.20 116.64 1b64 s ILE 8 Ca 0.18 -0.76 -0.24 0.00 -1.10 0.00 0.00 60.65 58.73 1b64 s ILE 8 Cb -0.11 -0.97 -0.03 0.00 -1.06 0.00 0.00 42.46 40.29 1b64 s ILE 8 CO 0.09 -0.64 0.74 -0.22 -0.10 0.00 0.00 174.94 174.81 1b64 s LEU 9 N 2.05 4.22 0.12 2.97 2.96 -1.25 -2.42 118.68 127.32 1b64 s LEU 9 Ca 0.11 1.10 0.05 0.00 -0.22 0.00 0.00 54.13 55.17 1b64 s LEU 9 Cb -0.16 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.40 1b64 s LEU 9 CO -0.29 -0.27 0.03 -0.76 -1.32 0.00 0.00 176.35 173.74 1b64 s LEU 10 N 1.61 3.50 -0.52 -0.68 1.02 0.11 -1.67 118.68 122.04 1b64 s LEU 10 Ca 0.36 -0.21 0.04 0.00 0.02 0.00 0.00 54.13 54.33 1b64 s LEU 10 Cb -0.17 -2.19 0.16 0.00 0.02 0.00 0.00 46.19 44.01 1b64 s LEU 10 CO 0.14 0.14 0.36 -1.81 0.02 0.00 0.00 176.35 175.20 1b64 s ASP 11 N -2.59 3.37 0.18 2.29 1.01 -1.21 -1.40 116.67 118.32 1b64 s ASP 11 Ca 0.27 -3.20 -0.19 0.00 0.71 0.00 0.00 52.55 50.15 1b64 s ASP 11 Cb -0.11 -1.06 -0.08 0.00 1.01 0.00 0.00 42.92 42.68 1b64 s ASP 11 CO 0.19 -0.17 0.66 -0.69 0.21 0.00 0.00 175.17 175.38 1b64 s VAL 12 N -0.38 4.65 -0.12 -1.27 1.01 0.48 -3.16 120.40 121.60 1b64 s VAL 12 Ca 0.25 1.18 -0.01 0.00 0.00 0.00 0.00 61.98 63.40 1b64 s VAL 12 Cb -0.09 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1b64 s VAL 12 CO -0.12 0.28 -0.08 -0.75 0.00 0.00 0.00 175.10 174.42 1b64 s LYS 13 N -1.82 3.31 0.72 2.72 2.20 -1.25 0.58 119.74 126.20 1b64 s LYS 13 Ca 0.40 -0.59 -0.11 0.00 -0.36 0.00 0.00 55.97 55.31 1b64 s LYS 13 Cb -0.17 -2.72 0.02 0.00 -1.51 0.00 0.00 37.83 33.46 1b64 s LYS 13 CO 0.21 0.35 1.07 -1.25 -0.36 0.00 0.00 175.35 175.36 1b64 s PRO 14 N 0.03 2.70 0.31 4.03 0.04 -1.26 0.81 135.00 141.67 1b64 s PRO 14 Ca -0.02 0.87 0.08 0.00 0.04 0.00 0.00 61.00 61.98 1b64 s PRO 14 Cb -0.14 -1.97 0.52 0.00 0.04 0.00 0.00 34.50 32.95 1b64 s PRO 14 CO 0.03 -1.24 1.73 -1.49 0.04 0.00 0.00 177.00 176.07 1b64 h TRP 15 N -0.82 0.20 0.00 0.56 -0.00 -1.43 -3.38 115.95 111.08 1b64 h TRP 15 Ca -0.45 -0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.39 1b64 h TRP 15 Cb 1.23 -0.05 0.00 0.00 -0.00 0.00 0.00 29.16 30.34 1b64 h TRP 15 CO 0.58 0.55 0.00 -0.25 -0.00 0.00 0.00 178.44 179.32 1b64 n ASP 16 N -4.04 0.00 0.32 -3.49 9.92 -1.26 -4.95 116.55 113.04 1b64 n ASP 16 Ca -0.01 0.00 0.20 0.00 -0.53 0.00 0.00 54.79 54.44 1b64 n ASP 16 Cb 0.46 0.00 1.08 0.00 -0.64 0.00 0.00 41.12 42.02 1b64 n ASP 16 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1b64 h ASP 17 N 0.00 0.00 -0.32 -2.24 3.58 -1.93 0.44 116.42 115.95 1b64 h ASP 17 Ca 0.00 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 1b64 h ASP 17 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1b64 h ASP 17 CO 0.00 0.00 -0.29 1.05 -2.88 0.00 0.00 179.24 177.12 1b64 h GLU 18 N 0.00 0.83 -5.87 0.28 4.11 -1.92 -3.43 114.58 108.57 1b64 h GLU 18 Ca 0.01 -0.38 -0.68 0.00 0.07 0.00 0.00 59.36 58.38 1b64 h GLU 18 Cb 0.10 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1b64 h GLU 18 CO -0.00 1.01 1.43 2.41 0.07 0.00 0.00 179.01 183.93 1b64 n THR 19 N -4.08 0.09 -1.54 -1.06 -1.04 0.14 -4.70 114.28 102.09 1b64 n THR 19 Ca -0.01 -0.17 -0.20 0.00 -2.04 0.00 0.00 64.05 61.63 1b64 n THR 19 Cb 0.48 -1.20 -0.10 0.00 -1.82 0.00 0.00 70.33 67.69 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 9.44 1.22 -0.28 8.00 -0.08 -1.26 -4.73 116.55 128.85 1b64 n ASP 20 Ca 0.48 -1.06 -0.02 0.00 -1.51 0.00 0.00 54.79 52.68 1b64 n ASP 20 Cb 0.13 -1.41 0.10 0.00 2.34 0.00 0.00 41.12 42.28 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 13.57 0.92 -0.84 -0.67 2.86 -1.89 0.46 114.93 129.35 1b64 h MET 21 Ca -0.04 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1b64 h MET 21 Cb 1.09 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 32.49 1b64 h MET 21 CO 1.16 0.61 0.54 0.00 1.06 0.00 0.00 176.91 180.28 1b64 h ALA 22 N 1.33 1.10 0.25 6.32 0.00 -1.97 1.47 119.26 127.76 1b64 h ALA 22 Ca 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1b64 h ALA 22 Cb 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1b64 h ALA 22 CO -0.12 0.37 -0.12 -0.22 0.00 0.00 0.00 179.25 179.17 1b64 h LYS 23 N 1.05 -0.32 -0.87 0.00 1.63 -1.67 0.69 116.57 117.08 1b64 h LYS 23 Ca 0.33 0.02 0.09 0.00 -0.85 0.00 0.00 60.65 60.24 1b64 h LYS 23 Cb -0.00 0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 31.63 1b64 h LYS 23 CO -0.11 0.04 0.52 1.25 -3.45 0.00 0.00 179.45 177.70 1b64 h LEU 24 N -0.80 0.78 -0.16 5.20 6.46 0.15 1.47 115.31 128.41 1b64 h LEU 24 Ca -0.03 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1b64 h LEU 24 Cb 0.51 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1b64 h LEU 24 CO 0.06 0.46 -0.11 -0.08 -0.62 0.00 0.00 178.44 178.15 1b64 h GLU 25 N 0.90 0.35 0.51 1.25 4.81 0.21 -1.71 114.58 120.88 1b64 h GLU 25 Ca 0.40 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1b64 h GLU 25 Cb 0.30 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1b64 h GLU 25 CO -0.22 0.69 -0.24 0.93 -0.73 0.00 0.00 179.01 179.44 1b64 h GLU 26 N 0.01 -0.65 -0.81 1.92 4.39 0.12 -2.85 114.58 116.70 1b64 h GLU 26 Ca 0.03 0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.88 1b64 h GLU 26 Cb 0.61 0.15 -0.12 0.00 -0.10 0.00 0.00 28.75 29.28 1b64 h GLU 26 CO 0.03 -0.44 -0.48 0.00 -1.16 0.00 0.00 179.01 176.97 1b64 n VAL 28 N -5.38 -0.41 -0.01 0.00 0.31 -0.64 0.11 118.33 112.31 1b64 n VAL 28 Ca 0.04 2.12 -0.16 0.00 -0.01 0.00 0.00 64.34 66.32 1b64 n VAL 28 Cb 0.34 -3.16 -0.10 0.00 -0.91 0.00 0.00 33.84 30.01 1b64 n VAL 28 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1b64 h ARG 29 N 0.00 0.41 -1.01 5.55 3.08 0.16 -3.18 114.38 119.40 1b64 h ARG 29 Ca 0.64 -0.39 0.23 0.00 0.07 0.00 0.00 59.98 60.53 1b64 h ARG 29 Cb 1.42 0.10 -0.10 0.00 0.08 0.00 0.00 29.97 31.46 1b64 h ARG 29 CO -0.89 1.04 0.62 0.66 -1.07 0.00 0.00 179.97 180.34 1b64 h SER 30 N -0.08 0.62 -1.39 7.04 4.64 0.73 -3.41 113.55 121.71 1b64 h SER 30 Ca -0.05 0.10 -0.75 0.00 -0.47 0.00 0.00 61.79 60.62 1b64 h SER 30 Cb 1.18 -0.01 0.03 0.00 -0.31 0.00 0.00 62.40 63.30 1b64 h SER 30 CO 0.10 0.16 0.54 -0.38 -0.87 0.00 0.00 176.83 176.38 1b64 n ILE 31 N -4.73 0.09 -3.96 0.95 5.41 0.13 -4.94 119.36 112.31 1b64 n ILE 31 Ca 0.25 -0.02 -0.26 0.00 1.00 0.00 0.00 62.75 63.72 1b64 n ILE 31 Cb 0.72 -0.71 -0.17 0.00 -0.71 0.00 0.00 39.64 38.77 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 1.66 1.42 0.31 0.38 0.74 -1.26 -4.97 119.66 117.93 1b64 s GLN 32 Ca 0.93 -0.22 0.04 0.00 0.05 0.00 0.00 55.36 56.16 1b64 s GLN 32 Cb -1.14 -1.48 -0.06 0.00 1.10 0.00 0.00 33.01 31.43 1b64 s GLN 32 CO 0.60 -0.24 0.04 0.00 -0.55 0.00 0.00 175.29 175.14 1b64 s ALA 33 N 1.62 2.26 0.38 1.58 0.00 -1.26 -5.08 121.76 121.25 1b64 s ALA 33 Ca 0.03 -2.00 -0.26 0.00 0.00 0.00 0.00 51.96 49.72 1b64 s ALA 33 Cb -0.13 0.62 -0.09 0.00 0.00 0.00 0.00 23.12 23.52 1b64 s ALA 33 CO -0.07 -0.29 1.22 0.34 0.00 0.00 0.00 175.76 176.97 1b64 s ASP 34 N -3.45 6.56 -0.43 0.00 2.15 -1.26 -2.51 116.67 117.73 1b64 s ASP 34 Ca 0.35 2.49 0.00 0.00 0.43 0.00 0.00 52.55 55.82 1b64 s ASP 34 Cb 0.08 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1b64 s ASP 34 CO 0.14 -0.66 0.00 0.61 -0.17 0.00 0.00 175.17 175.09 1b64 n GLY 35 N 0.72 -0.10 3.54 2.66 0.00 -1.26 -4.85 105.19 105.91 1b64 n GLY 35 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.10 3.52 0.02 0.99 0.20 -1.04 -3.96 118.68 114.31 1b64 s LEU 36 Ca 0.00 -0.06 0.07 0.00 0.69 0.00 0.00 54.13 54.84 1b64 s LEU 36 Cb 0.00 -1.88 -0.03 0.00 -0.43 0.00 0.00 46.19 43.85 1b64 s LEU 36 CO 0.00 0.13 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.29 1b64 s VAL 37 N 0.61 2.54 -0.36 1.68 1.01 -0.42 -4.61 120.40 120.85 1b64 s VAL 37 Ca 0.01 -1.16 -0.07 0.00 0.00 0.00 0.00 61.98 60.76 1b64 s VAL 37 Cb -0.14 -2.01 0.05 0.00 0.00 0.00 0.00 36.38 34.29 1b64 s VAL 37 CO 0.02 0.42 0.14 0.26 0.00 0.00 0.00 175.10 175.94 1b64 s TRP 38 N -0.82 3.29 0.00 5.22 0.23 -1.26 -0.30 118.94 125.30 1b64 s TRP 38 Ca 0.13 -1.52 0.00 0.00 -2.03 0.00 0.00 56.10 52.67 1b64 s TRP 38 Cb -0.10 -2.47 0.00 0.00 0.03 0.00 0.00 33.47 30.93 1b64 s TRP 38 CO 0.03 -0.77 0.00 0.41 0.96 0.00 0.00 176.95 177.58 1b64 n GLY 39 N 4.81 0.25 3.46 0.98 0.00 -0.99 -4.93 105.19 108.77 1b64 n GLY 39 Ca -0.11 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 1b64 n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b64 s SER 40 N -1.15 4.27 0.65 1.61 0.15 -1.25 -4.91 113.70 113.05 1b64 s SER 40 Ca 0.00 -0.20 -0.05 0.00 0.70 0.00 0.00 55.95 56.40 1b64 s SER 40 Cb 0.00 -1.37 0.04 0.00 -1.71 0.00 0.00 66.02 62.98 1b64 s SER 40 CO 0.00 0.25 0.93 -0.94 1.20 0.00 0.00 173.24 174.68 1b64 s SER 41 N -0.13 5.07 0.08 5.45 1.04 -1.26 -3.18 113.70 120.77 1b64 s SER 41 Ca -0.00 0.39 0.02 0.00 0.48 0.00 0.00 55.95 56.84 1b64 s SER 41 Cb -0.13 -1.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.78 1b64 s SER 41 CO 0.03 -1.39 -0.07 -0.54 0.98 0.00 0.00 173.24 172.25 1b64 s LYS 42 N -5.08 0.72 0.12 4.02 1.02 -0.44 -4.89 119.74 115.19 1b64 s LYS 42 Ca 0.58 -1.11 0.10 0.00 0.02 0.00 0.00 55.97 55.56 1b64 s LYS 42 Cb -0.11 -0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 36.93 1b64 s LYS 42 CO 0.43 0.01 -0.25 -0.51 -0.92 0.00 0.00 175.35 174.11 1b64 s LEU 43 N -2.48 2.30 -0.29 3.17 2.01 -1.26 -3.22 118.68 118.91 1b64 s LEU 43 Ca 0.03 -0.72 0.03 0.00 0.01 0.00 0.00 54.13 53.48 1b64 s LEU 43 Cb -0.01 -1.15 0.17 0.00 0.01 0.00 0.00 46.19 45.22 1b64 s LEU 43 CO -0.03 0.16 0.47 -0.69 1.01 0.00 0.00 176.35 177.27 1b64 s VAL 44 N -1.06 -0.76 0.77 -1.59 1.01 -1.26 -5.02 120.40 112.50 1b64 s VAL 44 Ca 0.12 -0.17 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 1b64 s VAL 44 Cb -0.10 -0.98 0.05 0.00 0.00 0.00 0.00 36.38 35.35 1b64 s VAL 44 CO 0.05 -0.17 1.09 -2.16 0.00 0.00 0.00 175.10 173.91 1b64 s PRO 45 N 2.64 2.33 -0.12 2.72 0.04 -1.26 -0.70 135.00 140.65 1b64 s PRO 45 Ca 0.11 0.72 0.10 0.00 0.04 0.00 0.00 61.00 61.97 1b64 s PRO 45 Cb -0.12 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.33 1b64 s PRO 45 CO -0.27 -1.47 0.03 1.33 0.04 0.00 0.00 177.00 176.66 1b64 n VAL 46 N -3.34 0.84 0.00 -0.36 0.24 -1.23 -4.85 118.33 109.62 1b64 n VAL 46 Ca 0.07 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1b64 n VAL 46 Cb 0.55 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 1b64 n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1b64 n GLY 47 N 2.27 -1.53 2.97 7.63 0.00 -1.26 -5.10 105.19 110.17 1b64 n GLY 47 Ca -0.20 0.66 -0.08 0.00 0.00 0.00 0.00 46.02 46.40 1b64 n GLY 47 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1b64 s TYR 48 N 0.21 -0.99 0.00 1.61 2.02 -1.26 -4.97 117.35 113.97 1b64 s TYR 48 Ca 0.00 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 1b64 s TYR 48 Cb 0.00 -0.06 0.00 0.00 -0.40 0.00 0.00 41.96 41.50 1b64 s TYR 48 CO 0.00 -1.07 0.00 0.41 -1.57 0.00 0.00 175.55 173.32 1b64 n GLY 49 N 4.38 1.50 3.95 0.71 0.00 -1.26 -5.12 105.19 109.36 1b64 n GLY 49 Ca 0.11 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 4.51 0.11 -0.61 1.09 -1.26 -4.47 121.20 120.57 1b64 s ILE 50 Ca 0.00 -0.57 -0.16 0.00 -1.10 0.00 0.00 60.65 58.82 1b64 s ILE 50 Cb 0.00 -3.64 0.04 0.00 -1.06 0.00 0.00 42.46 37.79 1b64 s ILE 50 CO 0.00 -0.40 0.40 -0.54 -0.10 0.00 0.00 174.94 174.30 1b64 s LYS 51 N -4.39 1.05 0.32 2.79 3.01 -1.26 -3.58 119.74 117.67 1b64 s LYS 51 Ca 0.44 -0.66 -0.17 0.00 -1.01 0.00 0.00 55.97 54.57 1b64 s LYS 51 Cb -0.10 0.46 -0.09 0.00 -1.01 0.00 0.00 37.83 37.09 1b64 s LYS 51 CO 0.36 -0.40 0.77 0.21 0.51 0.00 0.00 175.35 176.80 1b64 s LYS 52 N -3.62 4.10 -0.90 1.68 2.20 0.12 -4.32 119.74 119.00 1b64 s LYS 52 Ca 0.02 0.79 -0.01 0.00 -0.36 0.00 0.00 55.97 56.41 1b64 s LYS 52 Cb 0.02 -2.49 0.26 0.00 -1.51 0.00 0.00 37.83 34.10 1b64 s LYS 52 CO -0.11 0.18 0.99 -0.11 -0.36 0.00 0.00 175.35 175.94 1b64 n LEU 53 N -0.18 4.78 -4.82 5.43 -0.00 0.20 -4.06 117.00 118.35 1b64 n LEU 53 Ca 0.03 -5.23 -0.37 0.00 -0.00 0.00 0.00 56.01 50.44 1b64 n LEU 53 Cb 0.53 -1.06 -0.06 0.00 -0.00 0.00 0.00 43.42 42.82 1b64 n LEU 53 CO 0.41 1.71 -0.02 -1.58 -0.00 0.00 0.00 177.39 177.91 1b64 s GLN 54 N -2.04 3.87 0.05 1.96 0.74 -1.20 -0.39 119.66 122.65 1b64 s GLN 54 Ca 0.32 0.14 -0.10 0.00 0.05 0.00 0.00 55.36 55.77 1b64 s GLN 54 Cb 0.01 -3.27 0.00 0.00 1.10 0.00 0.00 33.01 30.86 1b64 s GLN 54 CO -0.03 0.58 0.21 0.96 -0.55 0.00 0.00 175.29 176.46 1b64 s ILE 55 N -0.59 0.11 -0.00 -2.34 -0.00 -0.49 -1.33 121.20 116.56 1b64 s ILE 55 Ca 0.19 -0.93 0.08 0.00 -0.00 0.00 0.00 60.65 59.98 1b64 s ILE 55 Cb -0.14 -1.01 -0.02 0.00 -0.00 0.00 0.00 42.46 41.28 1b64 s ILE 55 CO 0.07 -0.51 -0.25 -1.58 -0.00 0.00 0.00 174.94 172.67 1b64 s GLN 56 N -2.87 1.92 0.20 0.37 2.00 -1.19 0.05 119.66 120.13 1b64 s GLN 56 Ca -0.03 -0.94 0.04 0.00 -2.00 0.00 0.00 55.36 52.44 1b64 s GLN 56 Cb 0.00 -1.92 -0.05 0.00 0.80 0.00 0.00 33.01 31.85 1b64 s GLN 56 CO -0.06 0.52 -0.06 0.00 -0.50 0.00 0.00 175.29 175.19 1b64 s VAL 58 N -3.32 1.69 0.50 0.00 1.01 0.59 -1.66 120.40 119.21 1b64 s VAL 58 Ca 0.23 -1.50 0.06 0.00 0.00 0.00 0.00 61.98 60.77 1b64 s VAL 58 Cb 0.04 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.44 1b64 s VAL 58 CO 0.05 -0.24 0.69 0.68 0.00 0.00 0.00 175.10 176.28 1b64 s VAL 59 N 1.29 2.70 -1.20 2.92 -7.23 0.27 -1.29 120.40 117.85 1b64 s VAL 59 Ca -0.02 -0.90 -0.12 0.00 -1.81 0.00 0.00 61.98 59.13 1b64 s VAL 59 Cb -0.19 -2.80 0.19 0.00 0.56 0.00 0.00 36.38 34.15 1b64 s VAL 59 CO -0.08 0.00 1.44 -0.62 -0.31 0.00 0.00 175.10 175.53 1b64 n GLU 60 N -2.10 3.47 0.00 4.82 -0.58 -1.25 0.12 120.64 125.12 1b64 n GLU 60 Ca 0.10 -3.94 0.00 0.00 -0.42 0.00 0.00 57.16 52.90 1b64 n GLU 60 Cb 0.60 -2.92 0.00 0.00 -0.57 0.00 0.00 31.44 28.55 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 4.75 0.00 -1.04 1.62 2.03 -0.71 0.98 116.55 124.18 1b64 n ASP 61 Ca 0.35 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.69 1b64 n ASP 61 Cb 0.41 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.84 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 2.07 0.81 -0.08 1.67 2.03 -1.26 -4.68 116.55 117.10 1b64 n ASP 62 Ca 0.00 -2.21 -0.17 0.00 0.52 0.00 0.00 54.79 52.93 1b64 n ASP 62 Cb 0.00 -0.29 -0.12 0.00 -0.72 0.00 0.00 41.12 39.99 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 0.63 0.00 -5.06 -0.67 1.63 0.24 -3.44 116.57 109.90 1b64 h LYS 63 Ca -0.13 0.00 -0.64 0.00 -0.85 0.00 0.00 60.65 59.03 1b64 h LYS 63 Cb 1.62 0.00 -0.22 0.00 -0.60 0.00 0.00 32.23 33.03 1b64 h LYS 63 CO 0.06 0.95 -0.63 0.08 -3.45 0.00 0.00 179.45 176.45 1b64 s VAL 64 N -2.26 4.20 0.33 2.00 1.01 -1.26 -4.94 120.40 119.48 1b64 s VAL 64 Ca -0.22 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.60 1b64 s VAL 64 Cb 0.01 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1b64 s VAL 64 CO 0.62 0.39 0.37 -0.83 0.00 0.00 0.00 175.10 175.65 1b64 s GLY 65 N 1.21 1.67 0.46 4.51 0.00 -1.26 -4.54 107.32 109.37 1b64 s GLY 65 Ca 0.04 -1.55 0.26 0.00 0.00 0.00 0.00 44.72 43.47 1b64 s GLY 65 CO 0.02 -1.47 1.76 -0.84 0.00 0.00 0.00 173.10 172.57 1b64 h THR 66 N 1.10 0.19 -0.90 0.90 2.02 -1.99 -3.30 112.91 110.92 1b64 h THR 66 Ca -0.46 -0.98 0.09 0.00 0.77 0.00 0.00 66.41 65.84 1b64 h THR 66 Cb 1.25 1.83 -0.12 0.00 -1.74 0.00 0.00 68.15 69.38 1b64 h THR 66 CO 0.56 0.09 -0.56 -2.24 0.37 0.00 0.00 175.52 173.74 1b64 h ASP 67 N 0.00 -2.04 0.04 4.18 2.03 -1.98 1.69 116.42 120.34 1b64 h ASP 67 Ca -0.00 0.31 0.01 0.00 -0.73 0.00 0.00 57.03 56.62 1b64 h ASP 67 Cb 0.82 0.90 -0.01 0.00 -0.83 0.00 0.00 39.33 40.21 1b64 h ASP 67 CO 0.01 -0.26 -0.09 -0.03 -1.03 0.00 0.00 179.24 177.84 1b64 h MET 68 N -0.06 -0.16 -0.29 4.15 4.05 -1.98 0.50 114.93 121.13 1b64 h MET 68 Ca 0.17 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.66 1b64 h MET 68 Cb 0.46 0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 31.23 1b64 h MET 68 CO -0.89 -0.11 -0.17 -0.07 0.23 0.00 0.00 176.91 175.90 1b64 h LEU 69 N -0.17 -0.57 0.08 3.39 3.38 -0.97 0.18 115.31 120.64 1b64 h LEU 69 Ca 0.02 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1b64 h LEU 69 Cb 0.19 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1b64 h LEU 69 CO -0.06 -0.21 -0.29 -0.08 0.09 0.00 0.00 178.44 177.90 1b64 h GLU 70 N -0.14 -0.46 0.00 1.13 4.81 0.27 1.72 114.58 121.91 1b64 h GLU 70 Ca 0.15 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1b64 h GLU 70 Cb 0.37 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1b64 h GLU 70 CO -0.37 -0.31 0.02 0.39 -0.73 0.00 0.00 179.01 178.00 1b64 n GLU 71 N -5.39 0.12 -0.12 1.92 -0.58 0.14 0.94 120.64 117.66 1b64 n GLU 71 Ca -0.06 0.62 -0.26 0.00 -0.42 0.00 0.00 57.16 57.03 1b64 n GLU 71 Cb 0.31 -1.91 -0.11 0.00 -0.57 0.00 0.00 31.44 29.16 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 -2.15 0.58 0.03 3.49 7.27 0.81 -3.63 117.38 123.79 1b64 n GLN 72 Ca -0.01 0.38 -0.02 0.00 0.07 0.00 0.00 57.00 57.42 1b64 n GLN 72 Cb 0.04 -1.59 -0.01 0.00 2.41 0.00 0.00 30.24 31.09 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 -0.97 0.00 -0.05 1.69 2.04 0.31 -3.25 117.51 117.27 1b64 h ILE 73 Ca -0.56 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.00 1b64 h ILE 73 Cb 1.51 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1b64 h ILE 73 CO -0.33 0.00 0.31 0.00 0.00 0.00 0.00 178.15 178.13 1b64 h THR 74 N -0.44 0.06 -1.51 -0.27 1.03 0.40 -1.01 112.91 111.17 1b64 h THR 74 Ca -0.01 0.00 0.44 0.00 -0.01 0.00 0.00 66.41 66.83 1b64 h THR 74 Cb 0.10 0.71 -0.07 0.00 -1.07 0.00 0.00 68.15 67.81 1b64 h THR 74 CO 0.02 0.00 1.07 0.00 -0.01 0.00 0.00 175.52 176.60 1b64 h ALA 75 N 1.44 3.31 -1.85 0.00 0.00 -1.53 -3.14 119.26 117.48 1b64 h ALA 75 Ca 0.03 -0.02 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 1b64 h ALA 75 Cb 0.64 0.13 -0.17 0.00 0.00 0.00 0.00 17.79 18.38 1b64 h ALA 75 CO -0.00 -1.78 0.92 -0.06 0.00 0.00 0.00 179.25 178.33 1b64 s PHE 76 N -5.00 3.10 -1.17 0.00 0.08 -0.38 -4.80 117.98 109.81 1b64 s PHE 76 Ca -0.06 -1.40 0.23 0.00 0.12 0.00 0.00 56.93 55.82 1b64 s PHE 76 Cb 0.26 -4.31 1.06 0.00 -0.57 0.00 0.00 43.02 39.46 1b64 s PHE 76 CO 0.84 -1.51 1.75 -1.91 -0.10 0.00 0.00 175.22 174.29 1b64 n GLU 77 N 6.66 0.13 -0.21 0.44 0.00 -1.19 -0.20 120.64 126.27 1b64 n GLU 77 Ca 0.26 0.09 0.08 0.00 0.00 0.00 0.00 57.16 57.58 1b64 n GLU 77 Cb 0.49 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.64 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 -1.41 2.36 0.00 4.31 -0.08 -1.26 -4.31 116.55 116.16 1b64 n ASP 78 Ca 0.08 -1.97 0.00 0.00 -1.51 0.00 0.00 54.79 51.39 1b64 n ASP 78 Cb 0.24 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.42 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 0.79 -0.07 -2.88 -0.67 4.02 -0.92 -4.93 117.16 112.50 1b64 n TYR 79 Ca 0.15 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.63 1b64 n TYR 79 Cb 0.38 0.14 -0.04 0.00 -0.02 0.00 0.00 39.34 39.80 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 -1.29 4.89 -0.00 -0.72 1.01 0.72 -1.12 120.40 123.89 1b64 s VAL 80 Ca 0.00 1.67 -0.02 0.00 0.00 0.00 0.00 61.98 63.64 1b64 s VAL 80 Cb 0.00 -4.15 -0.27 0.00 0.00 0.00 0.00 36.38 31.96 1b64 s VAL 80 CO 0.00 0.06 0.82 -0.61 0.00 0.00 0.00 175.10 175.37 1b64 h GLN 81 N 7.21 0.22 0.00 2.72 4.15 0.21 -3.42 115.11 126.21 1b64 h GLN 81 Ca -0.31 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 58.73 1b64 h GLN 81 Cb 1.14 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1b64 h GLN 81 CO 0.82 1.07 0.00 -1.13 -1.93 0.00 0.00 178.83 177.66 1b64 n SER 82 N -3.42 0.00 -4.82 -0.69 3.41 -1.23 -5.02 113.62 101.86 1b64 n SER 82 Ca -0.17 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.13 1b64 n SER 82 Cb 1.04 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 65.02 1b64 n SER 82 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1b64 s MET 83 N 0.00 3.11 0.22 4.33 1.75 -1.26 -3.74 119.30 123.71 1b64 s MET 83 Ca 0.00 1.02 -0.02 0.00 -1.25 0.00 0.00 55.69 55.44 1b64 s MET 83 Cb 0.00 -2.01 0.01 0.00 2.84 0.00 0.00 34.83 35.67 1b64 s MET 83 CO 0.00 -0.96 0.32 -0.25 -0.65 0.00 0.00 175.02 173.48 1b64 n ASP 84 N -2.74 -0.90 -4.56 1.11 9.92 -1.19 -5.00 116.55 113.19 1b64 n ASP 84 Ca 0.08 -2.12 -0.34 0.00 -0.53 0.00 0.00 54.79 51.88 1b64 n ASP 84 Cb 0.53 1.64 -0.11 0.00 -0.64 0.00 0.00 41.12 42.54 1b64 n ASP 84 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1b64 s VAL 85 N -2.64 3.98 -0.14 2.53 0.11 -1.26 -3.36 120.40 119.62 1b64 s VAL 85 Ca 0.16 -0.34 0.11 0.00 -2.93 0.00 0.00 61.98 58.98 1b64 s VAL 85 Cb -0.01 -2.71 -0.23 0.00 -1.53 0.00 0.00 36.38 31.90 1b64 s VAL 85 CO 0.12 0.54 0.27 0.00 -3.33 0.00 0.00 175.10 172.70 1b64 n ALA 86 N 2.97 1.42 0.00 1.54 0.00 -0.67 -4.84 120.51 120.93 1b64 n ALA 86 Ca -0.18 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.24 1b64 n ALA 86 Cb 0.53 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.78 0.00 -3.27 0.00 0.00 -1.18 -4.98 120.51 108.31 1b64 n ALA 87 Ca -0.29 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.09 1b64 n ALA 87 Cb 1.09 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.50 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 -1.17 0.26 0.00 2.19 -1.26 -3.92 117.98 112.08 1b64 s PHE 88 Ca 0.00 -0.13 -0.05 0.00 0.33 0.00 0.00 56.93 57.08 1b64 s PHE 88 Cb 0.00 0.03 -0.02 0.00 -1.31 0.00 0.00 43.02 41.72 1b64 s PHE 88 CO 0.00 -1.09 0.34 0.54 1.83 0.00 0.00 175.22 176.84 1b64 s ASN 89 N 1.74 0.36 0.44 6.13 4.22 -1.06 -5.04 114.94 121.73 1b64 s ASN 89 Ca 0.16 -1.28 -0.04 0.00 -2.14 0.00 0.00 52.86 49.56 1b64 s ASN 89 Cb -0.09 0.53 -0.04 0.00 1.28 0.00 0.00 41.25 42.94 1b64 s ASN 89 CO -0.07 -1.07 0.73 -1.59 -2.04 0.00 0.00 177.10 173.06 1b64 s LYS 90 N -3.80 3.55 0.00 3.55 -2.85 -1.26 0.63 119.74 119.56 1b64 s LYS 90 Ca 0.31 0.10 0.20 0.00 -1.00 0.00 0.00 55.97 55.59 1b64 s LYS 90 Cb 0.02 -2.44 0.16 0.00 -2.06 0.00 0.00 37.83 33.51 1b64 s LYS 90 CO 0.14 -0.11 1.15 0.44 0.10 0.00 0.00 175.35 177.07