#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 0.00 -4.19 4.03 4.32 -1.26 -5.12 117.00 114.77 1b64 n LEU 2 Ca 0.00 -0.90 -0.14 0.00 -0.02 0.00 0.00 56.01 54.95 1b64 n LEU 2 Cb 0.00 -0.41 -0.09 0.00 -1.62 0.00 0.00 43.42 41.30 1b64 n LEU 2 CO 0.00 -0.86 -0.14 0.54 -1.22 0.00 0.00 177.39 175.72 1b64 s VAL 3 N -1.93 0.00 0.01 4.08 0.11 -1.26 -5.08 120.40 116.33 1b64 s VAL 3 Ca 0.35 -1.91 0.00 0.00 -2.93 0.00 0.00 61.98 57.49 1b64 s VAL 3 Cb -0.01 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.35 1b64 s VAL 3 CO 0.24 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.01 1b64 n ALA 4 N -0.39 -2.80 -2.02 1.54 0.00 -1.26 -4.65 120.51 110.93 1b64 n ALA 4 Ca 0.03 0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.38 1b64 n ALA 4 Cb 0.64 -0.34 0.04 0.00 0.00 0.00 0.00 19.45 19.79 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 -1.81 2.55 0.24 0.00 -0.14 -1.26 -2.14 119.74 117.18 1b64 s LYS 5 Ca 0.00 -1.36 -0.13 0.00 -1.36 0.00 0.00 55.97 53.13 1b64 s LYS 5 Cb 0.00 -2.68 -0.00 0.00 -1.68 0.00 0.00 37.83 33.47 1b64 s LYS 5 CO 0.00 -0.59 0.47 -1.12 -0.76 0.00 0.00 175.35 173.35 1b64 s SER 6 N -4.50 -0.09 0.01 2.83 0.01 0.26 -4.23 113.70 107.99 1b64 s SER 6 Ca 0.58 -0.90 0.06 0.00 1.31 0.00 0.00 55.95 57.00 1b64 s SER 6 Cb -0.08 0.58 -0.03 0.00 0.21 0.00 0.00 66.02 66.70 1b64 s SER 6 CO 0.36 -1.12 -0.16 -0.55 0.41 0.00 0.00 173.24 172.18 1b64 s SER 7 N -3.01 3.96 -0.12 2.44 0.15 -0.90 -1.20 113.70 115.02 1b64 s SER 7 Ca 0.22 -0.32 -0.04 0.00 0.70 0.00 0.00 55.95 56.51 1b64 s SER 7 Cb -0.00 -0.74 0.06 0.00 -1.71 0.00 0.00 66.02 63.62 1b64 s SER 7 CO 0.08 0.29 0.13 -0.63 1.20 0.00 0.00 173.24 174.31 1b64 s ILE 8 N -0.87 -0.20 -0.28 6.45 -1.09 -1.00 -3.20 121.20 121.01 1b64 s ILE 8 Ca 0.14 0.13 -0.15 0.00 -2.23 0.00 0.00 60.65 58.54 1b64 s ILE 8 Cb -0.11 -0.42 -0.03 0.00 -1.58 0.00 0.00 42.46 40.32 1b64 s ILE 8 CO 0.04 -0.04 0.39 -0.22 -1.23 0.00 0.00 174.94 173.89 1b64 s LEU 9 N 2.23 4.08 0.10 2.97 2.96 -1.25 -2.86 118.68 126.91 1b64 s LEU 9 Ca 0.04 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 1b64 s LEU 9 Cb -0.14 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 1b64 s LEU 9 CO -0.07 -0.22 0.18 -0.76 -1.32 0.00 0.00 176.35 174.16 1b64 s LEU 10 N 2.10 4.15 -0.29 -0.68 1.02 -0.77 -1.25 118.68 122.96 1b64 s LEU 10 Ca 0.15 0.13 -0.02 0.00 0.02 0.00 0.00 54.13 54.42 1b64 s LEU 10 Cb -0.16 -2.77 0.09 0.00 0.02 0.00 0.00 46.19 43.38 1b64 s LEU 10 CO 0.10 0.13 0.10 -0.62 0.02 0.00 0.00 176.35 176.08 1b64 s ASP 11 N -2.70 3.73 -0.06 2.29 -1.08 -1.22 -2.23 116.67 115.39 1b64 s ASP 11 Ca 0.33 -1.42 -0.06 0.00 -0.52 0.00 0.00 52.55 50.88 1b64 s ASP 11 Cb -0.12 -0.69 -0.04 0.00 -1.46 0.00 0.00 42.92 40.61 1b64 s ASP 11 CO 0.26 -0.41 0.18 -0.69 0.52 0.00 0.00 175.17 175.04 1b64 s VAL 12 N 1.78 5.44 -0.22 1.11 1.01 0.21 -2.78 120.40 126.96 1b64 s VAL 12 Ca 0.08 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 1b64 s VAL 12 Cb -0.17 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1b64 s VAL 12 CO -0.26 0.49 0.01 -0.75 0.00 0.00 0.00 175.10 174.59 1b64 s LYS 13 N -1.41 3.58 0.27 2.72 2.36 -1.24 -1.42 119.74 124.61 1b64 s LYS 13 Ca 0.21 -0.53 -0.30 0.00 -2.55 0.00 0.00 55.97 52.80 1b64 s LYS 13 Cb -0.13 -3.12 -0.09 0.00 -1.05 0.00 0.00 37.83 33.44 1b64 s LYS 13 CO 0.11 -0.07 1.08 -1.25 1.55 0.00 0.00 175.35 176.76 1b64 s PRO 14 N 1.23 4.67 0.36 4.03 0.04 -1.26 0.19 135.00 144.26 1b64 s PRO 14 Ca 0.03 1.77 0.19 0.00 0.04 0.00 0.00 61.00 63.03 1b64 s PRO 14 Cb -0.15 -3.20 1.22 0.00 0.04 0.00 0.00 34.50 32.41 1b64 s PRO 14 CO 0.01 0.25 1.63 -1.49 0.04 0.00 0.00 177.00 177.44 1b64 h TRP 15 N 3.88 0.85 -1.32 0.56 -0.00 -1.31 -3.43 115.95 115.19 1b64 h TRP 15 Ca -0.46 0.04 0.02 0.00 -0.00 0.00 0.00 58.89 58.48 1b64 h TRP 15 Cb 1.21 -0.21 -0.00 0.00 -0.00 0.00 0.00 29.16 30.15 1b64 h TRP 15 CO 0.59 -0.29 0.05 -0.25 -0.00 0.00 0.00 178.44 178.54 1b64 n ASP 16 N -5.09 -0.08 0.29 -3.49 8.00 -1.26 -4.98 116.55 109.93 1b64 n ASP 16 Ca 0.35 -1.03 0.16 0.00 0.71 0.00 0.00 54.79 54.98 1b64 n ASP 16 Cb 1.14 0.13 0.84 0.00 -0.02 0.00 0.00 41.12 43.21 1b64 n ASP 16 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1b64 h ASP 17 N 0.12 0.00 -0.36 -2.24 3.58 -1.86 -1.65 116.42 114.01 1b64 h ASP 17 Ca -0.01 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 1b64 h ASP 17 Cb 0.07 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1b64 h ASP 17 CO 0.02 0.06 0.15 1.05 -2.88 0.00 0.00 179.24 177.64 1b64 h GLU 18 N 0.00 0.60 -5.59 0.28 4.11 -1.95 -3.40 114.58 108.63 1b64 h GLU 18 Ca -0.00 -0.08 -0.39 0.00 0.07 0.00 0.00 59.36 58.96 1b64 h GLU 18 Cb 0.29 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1b64 h GLU 18 CO 0.01 0.51 1.35 0.99 0.07 0.00 0.00 179.01 181.94 1b64 s THR 19 N -5.26 3.03 -0.77 -1.06 2.01 -0.62 -4.79 115.64 108.19 1b64 s THR 19 Ca -0.08 0.01 -0.36 0.00 0.31 0.00 0.00 61.69 61.56 1b64 s THR 19 Cb 0.16 -3.07 -0.20 0.00 0.01 0.00 0.00 72.50 69.40 1b64 s THR 19 CO 0.76 -0.07 2.45 -0.67 -0.69 0.00 0.00 174.62 176.40 1b64 n ASP 20 N 16.23 0.57 -0.09 3.53 -0.08 -1.26 -4.76 116.55 130.68 1b64 n ASP 20 Ca 0.38 0.37 -0.11 0.00 -1.51 0.00 0.00 54.79 53.92 1b64 n ASP 20 Cb 0.53 -0.93 -0.04 0.00 2.34 0.00 0.00 41.12 43.02 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 10.95 0.46 -0.42 -0.67 2.86 -1.86 0.69 114.93 126.94 1b64 h MET 21 Ca -0.08 -0.14 0.06 0.00 -2.06 0.00 0.00 59.70 57.48 1b64 h MET 21 Cb 1.35 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.92 1b64 h MET 21 CO 1.25 0.60 0.13 0.00 1.06 0.00 0.00 176.91 179.95 1b64 h ALA 22 N 0.84 0.49 -0.13 6.32 0.00 -1.98 1.51 119.26 126.31 1b64 h ALA 22 Ca 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1b64 h ALA 22 Cb 0.38 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1b64 h ALA 22 CO 0.01 -0.27 0.06 -0.22 0.00 0.00 0.00 179.25 178.83 1b64 h LYS 23 N 0.28 0.18 -0.12 0.00 1.63 -1.90 0.60 116.57 117.25 1b64 h LYS 23 Ca 0.20 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.98 1b64 h LYS 23 Cb 0.21 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1b64 h LYS 23 CO -0.22 0.25 0.05 1.25 -3.45 0.00 0.00 179.45 177.33 1b64 h LEU 24 N 0.07 0.06 0.70 5.20 6.46 -0.08 1.21 115.31 128.94 1b64 h LEU 24 Ca 0.04 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.78 1b64 h LEU 24 Cb 0.13 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1b64 h LEU 24 CO -0.00 0.05 -0.36 -0.08 -0.62 0.00 0.00 178.44 177.43 1b64 h GLU 25 N 0.11 -0.94 0.74 1.25 4.57 0.23 0.28 114.58 120.82 1b64 h GLU 25 Ca 0.05 0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 1b64 h GLU 25 Cb 0.02 0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1b64 h GLU 25 CO -0.04 -0.63 -0.44 0.93 -1.18 0.00 0.00 179.01 177.65 1b64 h GLU 26 N -0.98 -1.06 -0.71 1.92 4.39 0.35 -2.22 114.58 116.26 1b64 h GLU 26 Ca -0.09 0.07 0.12 0.00 0.34 0.00 0.00 59.36 59.80 1b64 h GLU 26 Cb 0.76 0.24 -0.13 0.00 -0.10 0.00 0.00 28.75 29.53 1b64 h GLU 26 CO 0.14 -0.71 -0.36 0.00 -1.16 0.00 0.00 179.01 176.92 1b64 h VAL 28 N -0.12 0.10 -0.25 0.00 2.07 -0.20 1.29 116.25 119.15 1b64 h VAL 28 Ca 0.26 -0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.63 1b64 h VAL 28 Cb 0.56 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1b64 h VAL 28 CO -0.77 0.00 -0.43 -0.09 0.02 0.00 0.00 177.57 176.30 1b64 h ARG 29 N 0.01 0.61 -0.25 1.57 2.43 0.10 -2.65 114.38 116.20 1b64 h ARG 29 Ca 0.47 -0.32 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 1b64 h ARG 29 Cb 0.80 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1b64 h ARG 29 CO -0.91 0.92 0.22 0.66 -1.51 0.00 0.00 179.97 179.35 1b64 h SER 30 N 0.49 0.00 -1.89 -3.80 4.64 0.70 -3.42 113.55 110.28 1b64 h SER 30 Ca 0.04 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.70 1b64 h SER 30 Cb 0.95 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.06 1b64 h SER 30 CO 0.09 0.00 0.98 -0.38 -0.87 0.00 0.00 176.83 176.64 1b64 n ILE 31 N -4.14 0.41 -4.76 0.95 2.08 0.22 -4.95 119.36 109.17 1b64 n ILE 31 Ca 0.03 -0.07 -0.31 0.00 0.56 0.00 0.00 62.75 62.96 1b64 n ILE 31 Cb 0.37 -1.59 -0.13 0.00 -0.75 0.00 0.00 39.64 37.53 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 3.42 2.08 0.17 0.38 -0.44 -1.26 -4.95 119.66 119.05 1b64 s GLN 32 Ca 0.93 -0.97 -0.23 0.00 -2.50 0.00 0.00 55.36 52.59 1b64 s GLN 32 Cb -0.82 -2.17 0.06 0.00 -1.64 0.00 0.00 33.01 28.45 1b64 s GLN 32 CO 0.54 0.55 0.65 0.00 0.50 0.00 0.00 175.29 177.53 1b64 s ALA 33 N -0.87 -1.55 0.38 1.58 0.00 -1.26 -5.09 121.76 114.95 1b64 s ALA 33 Ca 0.14 0.38 -0.26 0.00 0.00 0.00 0.00 51.96 52.22 1b64 s ALA 33 Cb -0.10 0.84 -0.09 0.00 0.00 0.00 0.00 23.12 23.76 1b64 s ALA 33 CO 0.04 -0.82 1.16 0.34 0.00 0.00 0.00 175.76 176.48 1b64 s ASP 34 N -2.76 6.66 -1.43 0.00 -1.08 -1.26 -2.57 116.67 114.23 1b64 s ASP 34 Ca 0.03 2.32 0.00 0.00 -0.52 0.00 0.00 52.55 54.39 1b64 s ASP 34 Cb -0.02 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1b64 s ASP 34 CO -0.09 -0.57 0.00 0.61 0.52 0.00 0.00 175.17 175.64 1b64 n GLY 35 N 0.69 1.08 3.48 2.66 0.00 -1.26 -4.79 105.19 107.04 1b64 n GLY 35 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.08 3.20 -0.08 0.99 2.96 -1.06 -4.20 118.68 116.40 1b64 s LEU 36 Ca 0.00 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1b64 s LEU 36 Cb 0.00 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.93 1b64 s LEU 36 CO 0.00 0.16 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.37 1b64 s VAL 37 N 0.44 1.23 -0.38 1.68 1.01 -1.20 -4.68 120.40 118.50 1b64 s VAL 37 Ca -0.04 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.24 1b64 s VAL 37 Cb -0.14 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1b64 s VAL 37 CO 0.03 0.38 0.52 0.26 0.00 0.00 0.00 175.10 176.29 1b64 s TRP 38 N 0.81 3.15 0.00 5.22 0.52 -1.26 0.75 118.94 128.14 1b64 s TRP 38 Ca -0.11 0.01 0.00 0.00 0.02 0.00 0.00 56.10 56.02 1b64 s TRP 38 Cb -0.15 -3.00 0.00 0.00 -1.15 0.00 0.00 33.47 29.16 1b64 s TRP 38 CO 0.02 -0.64 0.26 0.41 0.02 0.00 0.00 176.95 177.02 1b64 n GLY 39 N 4.91 -0.51 3.63 0.98 0.00 -1.08 -4.92 105.19 108.20 1b64 n GLY 39 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.70 -0.34 0.13 1.61 0.01 -1.17 -5.04 113.70 107.20 1b64 s SER 40 Ca 0.00 0.60 0.03 0.00 1.31 0.00 0.00 55.95 57.89 1b64 s SER 40 Cb 0.00 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.78 1b64 s SER 40 CO 0.00 -0.15 0.21 -0.94 0.41 0.00 0.00 173.24 172.77 1b64 s SER 41 N -0.07 6.03 0.15 2.44 1.04 -1.26 -1.87 113.70 120.15 1b64 s SER 41 Ca 0.04 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1b64 s SER 41 Cb -0.04 -1.74 -0.04 0.00 0.10 0.00 0.00 66.02 64.29 1b64 s SER 41 CO -0.07 0.09 0.03 -1.59 0.98 0.00 0.00 173.24 172.68 1b64 s LYS 42 N -2.99 1.00 0.15 4.02 -2.85 -0.84 -4.97 119.74 113.27 1b64 s LYS 42 Ca 0.33 -1.48 0.10 0.00 -1.00 0.00 0.00 55.97 53.92 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 0.26 -0.20 -0.18 -0.51 0.10 0.00 0.00 175.35 174.82 1b64 s LEU 43 N -3.10 2.67 -0.28 2.77 2.01 -1.26 -3.57 118.68 117.92 1b64 s LEU 43 Ca 0.24 -0.65 0.00 0.00 0.01 0.00 0.00 54.13 53.72 1b64 s LEU 43 Cb 0.07 -1.45 0.14 0.00 0.01 0.00 0.00 46.19 44.96 1b64 s LEU 43 CO 0.02 0.15 0.34 -0.69 1.01 0.00 0.00 176.35 177.18 1b64 s VAL 44 N -1.39 -0.50 0.23 -1.59 1.01 -1.22 -4.96 120.40 111.98 1b64 s VAL 44 Ca 0.20 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 1b64 s VAL 44 Cb -0.09 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.24 1b64 s VAL 44 CO 0.11 -0.36 1.10 -2.16 0.00 0.00 0.00 175.10 173.79 1b64 s PRO 45 N 2.45 4.63 -0.11 2.72 0.04 -1.26 0.90 135.00 144.36 1b64 s PRO 45 Ca 0.10 1.76 -0.08 0.00 0.04 0.00 0.00 61.00 62.82 1b64 s PRO 45 Cb -0.14 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 1b64 s PRO 45 CO -0.29 0.16 -0.15 0.28 0.04 0.00 0.00 177.00 177.03 1b64 n VAL 46 N 1.72 1.12 -0.08 -0.36 0.31 -1.24 -4.86 118.33 114.93 1b64 n VAL 46 Ca 0.01 0.27 -0.08 0.00 -0.01 0.00 0.00 64.34 64.53 1b64 n VAL 46 Cb 0.45 -2.20 -0.03 0.00 -0.91 0.00 0.00 33.84 31.16 1b64 n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b64 n GLY 47 N 1.63 -0.55 0.00 2.92 0.00 -1.26 -5.05 105.19 102.87 1b64 n GLY 47 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1b64 n GLY 47 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b64 n TYR 48 N -4.37 0.00 -0.06 1.61 4.01 -1.26 -5.01 117.16 112.09 1b64 n TYR 48 Ca -0.13 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.56 1b64 n TYR 48 Cb 0.48 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.47 1b64 n TYR 48 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1b64 h GLY 49 N 0.00 0.00 -1.62 2.72 0.00 -2.00 -3.47 103.07 98.71 1b64 h GLY 49 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1b64 h GLY 49 CO 0.00 0.00 0.18 -0.42 0.00 0.00 0.00 176.54 176.30 1b64 s ILE 50 N -1.81 3.87 0.07 2.60 1.09 -1.26 -4.79 121.20 120.98 1b64 s ILE 50 Ca -0.07 0.08 -0.02 0.00 -1.10 0.00 0.00 60.65 59.54 1b64 s ILE 50 Cb -0.00 -3.53 -0.03 0.00 -1.06 0.00 0.00 42.46 37.83 1b64 s ILE 50 CO 0.22 -0.56 0.03 -0.54 -0.10 0.00 0.00 174.94 173.99 1b64 s LYS 51 N -4.98 0.71 0.07 2.79 1.02 -1.26 -3.59 119.74 114.51 1b64 s LYS 51 Ca 0.53 -1.22 -0.22 0.00 0.02 0.00 0.00 55.97 55.08 1b64 s LYS 51 Cb -0.11 0.24 -0.06 0.00 -0.52 0.00 0.00 37.83 37.38 1b64 s LYS 51 CO 0.46 -0.17 0.66 0.21 -0.92 0.00 0.00 175.35 175.59 1b64 s LYS 52 N -3.93 4.37 -1.12 1.68 2.20 0.26 -4.61 119.74 118.59 1b64 s LYS 52 Ca 0.10 0.90 -0.11 0.00 -0.36 0.00 0.00 55.97 56.49 1b64 s LYS 52 Cb 0.07 -3.29 0.23 0.00 -1.51 0.00 0.00 37.83 33.33 1b64 s LYS 52 CO -0.08 0.49 1.19 -1.17 -0.36 0.00 0.00 175.35 175.42 1b64 s LEU 53 N -0.69 5.90 -0.09 5.43 1.98 -0.51 -3.42 118.68 127.28 1b64 s LEU 53 Ca 0.33 -3.28 -0.02 0.00 -2.89 0.00 0.00 54.13 48.27 1b64 s LEU 53 Cb -0.20 -2.28 -0.03 0.00 0.66 0.00 0.00 46.19 44.34 1b64 s LEU 53 CO 0.21 -0.49 -0.01 -1.58 -1.89 0.00 0.00 176.35 172.59 1b64 s GLN 54 N -0.08 3.05 -0.08 1.98 0.74 -1.23 0.64 119.66 124.67 1b64 s GLN 54 Ca 0.34 -0.44 -0.16 0.00 0.05 0.00 0.00 55.36 55.15 1b64 s GLN 54 Cb -0.07 -2.79 0.03 0.00 1.10 0.00 0.00 33.01 31.28 1b64 s GLN 54 CO -0.06 0.64 0.38 0.96 -0.55 0.00 0.00 175.29 176.66 1b64 s ILE 55 N -0.71 0.02 -0.01 -2.34 -0.00 -0.95 -1.99 121.20 115.24 1b64 s ILE 55 Ca 0.11 -0.21 0.02 0.00 -0.00 0.00 0.00 60.65 60.58 1b64 s ILE 55 Cb -0.12 -0.62 -0.03 0.00 -0.00 0.00 0.00 42.46 41.69 1b64 s ILE 55 CO 0.02 -0.11 -0.04 -1.58 -0.00 0.00 0.00 174.94 173.22 1b64 s GLN 56 N -0.57 2.66 0.10 0.37 2.00 -0.78 -1.86 119.66 121.58 1b64 s GLN 56 Ca -0.07 -0.66 0.00 0.00 -2.00 0.00 0.00 55.36 52.64 1b64 s GLN 56 Cb -0.04 -2.57 -0.04 0.00 0.80 0.00 0.00 33.01 31.16 1b64 s GLN 56 CO 0.03 0.62 -0.03 0.00 -0.50 0.00 0.00 175.29 175.41 1b64 s VAL 58 N -3.80 3.24 0.82 0.00 1.01 0.23 -2.37 120.40 119.53 1b64 s VAL 58 Ca 0.14 -4.17 -0.09 0.00 0.00 0.00 0.00 61.98 57.86 1b64 s VAL 58 Cb 0.07 -3.10 0.14 0.00 0.00 0.00 0.00 36.38 33.49 1b64 s VAL 58 CO -0.04 -1.02 1.14 0.68 0.00 0.00 0.00 175.10 175.86 1b64 s VAL 59 N -1.41 2.11 0.39 2.92 -7.23 -0.34 -3.23 120.40 113.61 1b64 s VAL 59 Ca 0.25 -0.23 -0.05 0.00 -1.81 0.00 0.00 61.98 60.15 1b64 s VAL 59 Cb -0.06 -2.88 0.09 0.00 0.56 0.00 0.00 36.38 34.09 1b64 s VAL 59 CO -0.15 0.00 0.53 -0.62 -0.31 0.00 0.00 175.10 174.55 1b64 n GLU 60 N -3.27 -0.28 -0.03 4.82 -0.58 -1.26 0.91 120.64 120.96 1b64 n GLU 60 Ca 0.13 -0.99 -0.20 0.00 -0.42 0.00 0.00 57.16 55.68 1b64 n GLU 60 Cb 0.60 -0.49 -0.13 0.00 -0.57 0.00 0.00 31.44 30.85 1b64 n GLU 60 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1b64 h ASP 61 N -0.59 0.21 0.00 1.62 3.58 -1.69 -3.35 116.42 116.20 1b64 h ASP 61 Ca -0.17 -0.82 -0.10 0.00 0.42 0.00 0.00 57.03 56.36 1b64 h ASP 61 Cb 0.52 -0.07 -0.19 0.00 1.72 0.00 0.00 39.33 41.32 1b64 h ASP 61 CO 0.14 1.42 -0.62 -0.67 -2.88 0.00 0.00 179.24 176.63 1b64 n ASP 62 N -4.23 0.21 0.00 2.28 -0.08 -1.26 -4.94 116.55 108.53 1b64 n ASP 62 Ca -0.22 -1.87 0.00 0.00 -1.51 0.00 0.00 54.79 51.19 1b64 n ASP 62 Cb 0.74 -0.12 0.00 0.00 2.34 0.00 0.00 41.12 44.08 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 0.20 0.00 -4.29 -0.67 4.81 -1.26 -4.99 118.16 111.96 1b64 n LYS 63 Ca -0.03 0.10 -0.33 0.00 -0.87 0.00 0.00 58.31 57.18 1b64 n LYS 63 Cb 0.86 -0.60 -0.09 0.00 0.02 0.00 0.00 35.03 35.22 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 -1.00 4.14 0.28 3.15 0.11 -1.26 -5.01 120.40 120.81 1b64 s VAL 64 Ca 0.00 -0.60 0.09 0.00 -2.93 0.00 0.00 61.98 58.53 1b64 s VAL 64 Cb 0.00 -2.84 -0.04 0.00 -1.53 0.00 0.00 36.38 31.97 1b64 s VAL 64 CO 0.00 0.38 0.08 -0.83 -3.33 0.00 0.00 175.10 171.40 1b64 s GLY 65 N -1.54 1.68 0.45 6.54 0.00 -1.26 -4.14 107.32 109.06 1b64 s GLY 65 Ca 0.19 -1.65 0.25 0.00 0.00 0.00 0.00 44.72 43.51 1b64 s GLY 65 CO 0.10 -1.67 1.75 -0.84 0.00 0.00 0.00 173.10 172.44 1b64 h THR 66 N 1.70 0.25 -0.80 0.90 2.02 -2.00 -3.28 112.91 111.70 1b64 h THR 66 Ca -0.45 -1.05 0.11 0.00 0.77 0.00 0.00 66.41 65.79 1b64 h THR 66 Cb 1.25 1.86 -0.13 0.00 -1.74 0.00 0.00 68.15 69.39 1b64 h THR 66 CO 0.61 0.12 -0.44 -2.24 0.37 0.00 0.00 175.52 173.94 1b64 h ASP 67 N 0.00 -1.57 -0.99 4.18 2.03 -1.98 1.04 116.42 119.14 1b64 h ASP 67 Ca -0.00 0.28 0.15 0.00 -0.73 0.00 0.00 57.03 56.73 1b64 h ASP 67 Cb 0.85 0.75 -0.09 0.00 -0.83 0.00 0.00 39.33 40.00 1b64 h ASP 67 CO 0.02 -0.30 0.60 -0.03 -1.03 0.00 0.00 179.24 178.50 1b64 h MET 68 N -0.10 0.83 -0.34 4.15 4.05 -1.96 1.18 114.93 122.74 1b64 h MET 68 Ca 0.24 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.55 1b64 h MET 68 Cb 0.55 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1b64 h MET 68 CO -0.84 0.55 -0.02 -0.07 0.23 0.00 0.00 176.91 176.77 1b64 h LEU 69 N 0.86 0.61 -0.35 3.39 3.38 0.57 0.39 115.31 124.16 1b64 h LEU 69 Ca 0.53 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 1b64 h LEU 69 Cb 0.68 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1b64 h LEU 69 CO -0.32 0.78 -0.03 -0.08 0.09 0.00 0.00 178.44 178.88 1b64 h GLU 70 N 0.42 0.63 0.00 1.13 4.81 0.23 1.48 114.58 123.28 1b64 h GLU 70 Ca 0.10 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1b64 h GLU 70 Cb 0.48 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1b64 h GLU 70 CO 0.02 0.77 0.00 -0.85 -0.73 0.00 0.00 179.01 178.22 1b64 n GLU 71 N -4.47 0.64 -0.06 1.92 0.28 0.39 -1.20 120.64 118.13 1b64 n GLU 71 Ca -0.02 0.02 -0.13 0.00 -0.16 0.00 0.00 57.16 56.86 1b64 n GLU 71 Cb 0.30 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.62 1b64 n GLU 71 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1b64 n GLN 72 N -1.07 0.28 0.07 3.44 -0.06 0.12 -4.20 117.38 115.95 1b64 n GLN 72 Ca 0.16 0.12 -0.03 0.00 -2.00 0.00 0.00 57.00 55.24 1b64 n GLN 72 Cb 0.11 -0.99 -0.02 0.00 -4.06 0.00 0.00 30.24 25.28 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 -0.42 0.00 -0.19 1.69 2.04 0.20 -3.26 117.51 117.58 1b64 h ILE 73 Ca -0.32 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.20 1b64 h ILE 73 Cb 1.30 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1b64 h ILE 73 CO -0.18 0.00 0.24 0.00 0.00 0.00 0.00 178.15 178.20 1b64 h THR 74 N -0.61 0.38 -1.76 -0.27 1.03 -1.30 -1.73 112.91 108.66 1b64 h THR 74 Ca -0.02 0.00 0.54 0.00 -0.01 0.00 0.00 66.41 66.91 1b64 h THR 74 Cb 0.17 0.80 -0.10 0.00 -1.07 0.00 0.00 68.15 67.95 1b64 h THR 74 CO 0.04 0.00 1.23 0.00 -0.01 0.00 0.00 175.52 176.78 1b64 n ALA 75 N -2.28 1.70 -2.39 0.00 0.00 -1.15 -2.20 120.51 114.20 1b64 n ALA 75 Ca 0.02 0.71 -0.43 0.00 0.00 0.00 0.00 53.44 53.74 1b64 n ALA 75 Cb 0.36 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -4.15 3.92 0.20 0.00 3.72 -0.65 -4.72 117.46 115.78 1b64 n PHE 76 Ca 0.43 -2.98 0.08 0.00 -0.05 0.00 0.00 57.45 54.93 1b64 n PHE 76 Cb 1.85 -2.29 0.42 0.00 -0.94 0.00 0.00 39.48 38.51 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 5.73 0.11 -0.06 -1.08 0.28 -0.94 0.55 120.64 125.23 1b64 n GLU 77 Ca 0.44 0.54 0.05 0.00 -0.16 0.00 0.00 57.16 58.02 1b64 n GLU 77 Cb 0.40 -1.80 0.21 0.00 1.43 0.00 0.00 31.44 31.68 1b64 n GLU 77 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1b64 n ASP 78 N -2.03 0.77 0.00 -1.84 9.92 -1.26 -4.16 116.55 117.96 1b64 n ASP 78 Ca -0.00 -1.84 0.00 0.00 -0.53 0.00 0.00 54.79 52.42 1b64 n ASP 78 Cb 0.08 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 1b64 n ASP 78 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1b64 n TYR 79 N -0.15 -0.30 -2.93 1.24 4.01 0.54 -4.95 117.16 114.62 1b64 n TYR 79 Ca 0.09 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.42 1b64 n TYR 79 Cb 0.14 0.21 -0.04 0.00 -0.31 0.00 0.00 39.34 39.34 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 -1.41 4.99 -0.00 -0.72 1.01 0.19 -0.92 120.40 123.53 1b64 s VAL 80 Ca 0.00 1.65 -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 31.97 1b64 s VAL 80 CO 0.00 0.22 0.83 -0.61 0.00 0.00 0.00 175.10 175.54 1b64 h GLN 81 N 6.78 0.25 0.00 2.72 4.15 0.19 -3.40 115.11 125.79 1b64 h GLN 81 Ca -0.41 -0.42 0.00 0.00 0.77 0.00 0.00 58.65 58.59 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 0.75 1.11 0.00 0.43 -1.93 0.00 0.00 178.83 179.19 1b64 n SER 82 N -3.45 0.00 -4.81 -0.69 7.64 -1.22 -4.99 113.62 106.11 1b64 n SER 82 Ca -0.17 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.38 1b64 n SER 82 Cb 1.04 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 64.24 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 3.55 0.15 1.43 1.75 -1.26 -3.59 119.30 121.32 1b64 s MET 83 Ca 0.00 1.22 -0.01 0.00 -1.25 0.00 0.00 55.69 55.65 1b64 s MET 83 Cb 0.00 -2.06 0.00 0.00 2.84 0.00 0.00 34.83 35.61 1b64 s MET 83 CO 0.00 -0.63 0.20 -0.25 -0.65 0.00 0.00 175.02 173.70 1b64 n ASP 84 N -1.66 -0.56 -4.37 1.11 9.92 -1.12 -5.02 116.55 114.86 1b64 n ASP 84 Ca 0.09 -1.80 -0.33 0.00 -0.53 0.00 0.00 54.79 52.22 1b64 n ASP 84 Cb 0.53 1.05 -0.14 0.00 -0.64 0.00 0.00 41.12 41.92 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 -2.59 3.10 -0.03 2.53 1.01 -1.26 -3.39 120.40 119.78 1b64 s VAL 85 Ca 0.12 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1b64 s VAL 85 Cb -0.00 -2.32 -0.23 0.00 0.00 0.00 0.00 36.38 33.83 1b64 s VAL 85 CO 0.09 0.52 0.72 0.00 0.00 0.00 0.00 175.10 176.42 1b64 h ALA 86 N 6.82 0.65 0.00 5.51 0.00 -1.49 -3.46 119.26 127.30 1b64 h ALA 86 Ca -0.27 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.27 1b64 h ALA 86 Cb 1.21 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1b64 h ALA 86 CO 0.57 1.49 0.00 0.00 0.00 0.00 0.00 179.25 181.30 1b64 n ALA 87 N -2.58 0.00 -3.36 0.00 0.00 -1.17 -4.99 120.51 108.40 1b64 n ALA 87 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 1b64 n ALA 87 Cb 1.04 0.00 -0.08 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 -0.49 0.27 0.00 5.36 -1.26 -3.87 117.98 115.99 1b64 s PHE 88 Ca 0.00 -0.41 0.06 0.00 -0.96 0.00 0.00 56.93 55.62 1b64 s PHE 88 Cb 0.00 -0.37 -0.02 0.00 -0.34 0.00 0.00 43.02 42.28 1b64 s PHE 88 CO 0.00 -0.96 0.24 0.09 -1.46 0.00 0.00 175.22 173.13 1b64 n ASN 89 N 4.78 -0.62 -4.86 6.13 4.13 -1.20 -5.10 115.26 118.52 1b64 n ASN 89 Ca 0.05 -2.76 -0.33 0.00 1.68 0.00 0.00 54.58 53.22 1b64 n ASN 89 Cb 0.46 1.42 -0.06 0.00 -1.54 0.00 0.00 39.78 40.07 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 -3.06 3.89 0.00 3.52 -2.85 -1.26 -2.12 119.74 117.86 1b64 s LYS 90 Ca 0.32 0.39 0.30 0.00 -1.00 0.00 0.00 55.97 55.98 1b64 s LYS 90 Cb 0.01 -2.76 1.48 0.00 -2.06 0.00 0.00 37.83 34.51 1b64 s LYS 90 CO 0.22 0.38 1.99 1.51 0.10 0.00 0.00 175.35 179.55