#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 -2.85 -4.51 4.03 4.77 -1.26 -4.93 117.00 112.25 1b64 n LEU 2 Ca 0.00 -0.29 -0.43 0.00 -0.03 0.00 0.00 56.01 55.26 1b64 n LEU 2 Cb 0.00 -1.78 -0.00 0.00 -2.33 0.00 0.00 43.42 39.30 1b64 n LEU 2 CO 0.00 0.26 1.55 0.68 -1.33 0.00 0.00 177.39 178.55 1b64 s VAL 3 N -3.17 4.63 -0.19 4.08 -7.23 -1.26 -4.58 120.40 112.68 1b64 s VAL 3 Ca 0.15 -2.18 -0.07 0.00 -1.81 0.00 0.00 61.98 58.07 1b64 s VAL 3 Cb -0.07 -5.00 0.03 0.00 0.56 0.00 0.00 36.38 31.90 1b64 s VAL 3 CO 0.36 -1.76 0.13 0.00 -0.31 0.00 0.00 175.10 173.52 1b64 n ALA 4 N 6.84 -3.54 -2.17 1.32 0.00 -1.26 -4.45 120.51 117.24 1b64 n ALA 4 Ca 0.39 1.45 -0.21 0.00 0.00 0.00 0.00 53.44 55.08 1b64 n ALA 4 Cb 0.45 -2.84 -0.00 0.00 0.00 0.00 0.00 19.45 17.06 1b64 n ALA 4 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1b64 s LYS 5 N -0.96 2.51 0.18 0.00 -0.14 -1.26 -0.46 119.74 119.61 1b64 s LYS 5 Ca -0.15 -1.57 -0.08 0.00 -1.36 0.00 0.00 55.97 52.81 1b64 s LYS 5 Cb 0.01 -2.46 -0.02 0.00 -1.68 0.00 0.00 37.83 33.69 1b64 s LYS 5 CO 0.66 -0.39 0.27 0.45 -0.76 0.00 0.00 175.35 175.57 1b64 s SER 6 N -4.29 0.06 -0.17 2.83 0.15 0.18 -3.80 113.70 108.67 1b64 s SER 6 Ca 0.50 -0.98 -0.01 0.00 0.70 0.00 0.00 55.95 56.16 1b64 s SER 6 Cb -0.05 0.43 -0.01 0.00 -1.71 0.00 0.00 66.02 64.69 1b64 s SER 6 CO 0.30 -0.90 -0.11 -0.55 1.20 0.00 0.00 173.24 173.17 1b64 s SER 7 N -3.01 3.93 -0.25 5.45 0.15 -0.78 -1.70 113.70 117.49 1b64 s SER 7 Ca 0.21 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.46 1b64 s SER 7 Cb 0.04 -1.63 0.06 0.00 -1.71 0.00 0.00 66.02 62.78 1b64 s SER 7 CO 0.03 0.07 -0.05 -0.63 1.20 0.00 0.00 173.24 173.85 1b64 s ILE 8 N 0.95 1.68 -0.18 6.45 -1.09 -1.16 -3.37 121.20 124.48 1b64 s ILE 8 Ca -0.02 -1.39 -0.17 0.00 -2.23 0.00 0.00 60.65 56.84 1b64 s ILE 8 Cb -0.15 -1.95 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 1b64 s ILE 8 CO -0.01 -0.15 0.44 -0.22 -1.23 0.00 0.00 174.94 173.77 1b64 s LEU 9 N 1.31 4.19 0.08 2.97 2.96 -1.25 -2.95 118.68 126.00 1b64 s LEU 9 Ca -0.05 0.62 0.04 0.00 -0.22 0.00 0.00 54.13 54.52 1b64 s LEU 9 Cb -0.19 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.87 1b64 s LEU 9 CO -0.07 -0.07 0.06 -0.76 -1.32 0.00 0.00 176.35 174.19 1b64 s LEU 10 N 1.17 3.70 -0.38 -0.68 1.02 0.03 -0.03 118.68 123.51 1b64 s LEU 10 Ca 0.22 -0.06 0.01 0.00 0.02 0.00 0.00 54.13 54.32 1b64 s LEU 10 Cb -0.15 -2.40 0.12 0.00 0.02 0.00 0.00 46.19 43.79 1b64 s LEU 10 CO 0.08 0.17 0.19 -0.62 0.02 0.00 0.00 176.35 176.19 1b64 s ASP 11 N -2.36 3.68 0.28 2.29 2.15 -1.01 -1.48 116.67 120.23 1b64 s ASP 11 Ca 0.28 -2.23 -0.02 0.00 0.43 0.00 0.00 52.55 51.02 1b64 s ASP 11 Cb -0.12 -0.89 -0.04 0.00 -0.30 0.00 0.00 42.92 41.57 1b64 s ASP 11 CO 0.21 -0.32 0.50 -0.69 -0.17 0.00 0.00 175.17 174.70 1b64 s VAL 12 N 0.89 5.11 -0.09 1.11 1.01 -0.68 -2.89 120.40 124.86 1b64 s VAL 12 Ca 0.15 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1b64 s VAL 12 Cb -0.22 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 1b64 s VAL 12 CO -0.08 -0.37 -0.23 -0.75 0.00 0.00 0.00 175.10 173.67 1b64 s LYS 13 N -3.77 2.87 0.34 2.72 2.20 -1.22 -1.06 119.74 121.81 1b64 s LYS 13 Ca 0.41 -0.85 -0.27 0.00 -0.36 0.00 0.00 55.97 54.90 1b64 s LYS 13 Cb -0.10 -2.21 -0.09 0.00 -1.51 0.00 0.00 37.83 33.92 1b64 s LYS 13 CO 0.32 0.20 1.07 -1.25 -0.36 0.00 0.00 175.35 175.33 1b64 s PRO 14 N 0.27 4.39 0.46 4.03 0.04 -1.26 0.18 135.00 143.12 1b64 s PRO 14 Ca -0.16 1.64 0.18 0.00 0.04 0.00 0.00 61.00 62.70 1b64 s PRO 14 Cb -0.17 -2.85 1.16 0.00 0.04 0.00 0.00 34.50 32.68 1b64 s PRO 14 CO 0.08 0.03 1.95 -1.49 0.04 0.00 0.00 177.00 177.61 1b64 h TRP 15 N 3.12 0.32 0.00 0.56 -0.00 -0.84 -3.42 115.95 115.70 1b64 h TRP 15 Ca -0.47 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.42 1b64 h TRP 15 Cb 1.21 -0.10 0.00 0.00 -0.00 0.00 0.00 29.16 30.27 1b64 h TRP 15 CO 0.58 0.13 0.00 -0.25 -0.00 0.00 0.00 178.44 178.90 1b64 n ASP 16 N -4.44 0.00 -0.36 -3.49 9.92 -1.26 -4.96 116.55 111.95 1b64 n ASP 16 Ca 0.12 0.00 0.37 0.00 -0.53 0.00 0.00 54.79 54.75 1b64 n ASP 16 Cb 0.53 0.00 0.75 0.00 -0.64 0.00 0.00 41.12 41.76 1b64 n ASP 16 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1b64 h ASP 17 N 0.00 0.02 -0.94 -2.24 3.04 -1.89 0.99 116.42 115.41 1b64 h ASP 17 Ca 0.00 0.00 0.04 0.00 -3.24 0.00 0.00 57.03 53.84 1b64 h ASP 17 Cb 0.00 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 38.23 1b64 h ASP 17 CO 0.00 0.00 0.61 1.05 -2.04 0.00 0.00 179.24 178.86 1b64 h GLU 18 N 0.02 1.13 -5.42 4.15 4.11 -1.93 -3.39 114.58 113.25 1b64 h GLU 18 Ca 0.60 -0.07 -0.32 0.00 0.07 0.00 0.00 59.36 59.64 1b64 h GLU 18 Cb 2.39 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 31.37 1b64 h GLU 18 CO -0.02 0.75 1.20 2.41 0.07 0.00 0.00 179.01 183.42 1b64 n THR 19 N -4.50 -0.05 -1.47 -1.06 -1.04 0.34 -4.80 114.28 101.70 1b64 n THR 19 Ca 0.13 -0.61 -0.53 0.00 -2.04 0.00 0.00 64.05 61.00 1b64 n THR 19 Cb 0.11 -2.13 -0.08 0.00 -1.82 0.00 0.00 70.33 66.42 1b64 n THR 19 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1b64 n ASP 20 N 15.51 2.03 0.16 8.00 8.00 -1.26 -4.79 116.55 144.21 1b64 n ASP 20 Ca 0.45 0.59 0.02 0.00 0.71 0.00 0.00 54.79 56.56 1b64 n ASP 20 Cb 0.43 -1.19 0.27 0.00 -0.02 0.00 0.00 41.12 40.61 1b64 n ASP 20 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1b64 h MET 21 N 10.86 0.00 -0.30 -1.24 2.86 -1.87 0.11 114.93 125.34 1b64 h MET 21 Ca -0.29 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.25 1b64 h MET 21 Cb 1.33 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.98 1b64 h MET 21 CO 1.02 0.49 -0.25 0.00 1.06 0.00 0.00 176.91 179.23 1b64 h ALA 22 N 1.51 1.00 0.13 6.32 0.00 -1.97 0.60 119.26 126.86 1b64 h ALA 22 Ca -0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 1b64 h ALA 22 Cb 0.92 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.59 1b64 h ALA 22 CO 0.06 0.59 -0.85 -0.22 0.00 0.00 0.00 179.25 178.84 1b64 h LYS 23 N 0.52 0.29 -0.71 0.00 3.11 -1.87 -0.60 116.57 117.30 1b64 h LYS 23 Ca 0.07 -0.49 -0.03 0.00 -2.81 0.00 0.00 60.65 57.39 1b64 h LYS 23 Cb 0.71 0.18 -0.03 0.00 -1.00 0.00 0.00 32.23 32.09 1b64 h LYS 23 CO 0.05 1.23 0.31 1.25 -2.81 0.00 0.00 179.45 179.49 1b64 h LEU 24 N -0.39 0.94 -0.25 5.20 6.46 -0.71 1.59 115.31 128.14 1b64 h LEU 24 Ca -0.15 -0.12 -0.21 0.00 -0.12 0.00 0.00 57.88 57.28 1b64 h LEU 24 Cb 1.63 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 41.32 1b64 h LEU 24 CO 0.14 0.82 -0.87 -0.08 -0.62 0.00 0.00 178.44 177.82 1b64 h GLU 25 N 1.02 0.38 0.14 1.25 4.81 0.15 -2.83 114.58 119.50 1b64 h GLU 25 Ca 0.24 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1b64 h GLU 25 Cb 0.15 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1b64 h GLU 25 CO -0.03 1.05 -0.07 1.49 -0.73 0.00 0.00 179.01 180.72 1b64 h GLU 26 N 0.23 -0.18 -0.76 1.92 4.81 -0.50 -2.95 114.58 117.15 1b64 h GLU 26 Ca -0.06 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.31 1b64 h GLU 26 Cb 1.49 0.04 -0.14 0.00 0.63 0.00 0.00 28.75 30.77 1b64 h GLU 26 CO 0.15 0.17 -0.32 0.00 -0.73 0.00 0.00 179.01 178.28 1b64 h VAL 28 N -0.08 0.71 -0.15 0.00 2.07 -1.59 0.10 116.25 117.31 1b64 h VAL 28 Ca 0.30 -0.27 -0.18 0.00 0.82 0.00 0.00 66.70 67.38 1b64 h VAL 28 Cb 0.57 -0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1b64 h VAL 28 CO -0.80 0.14 -0.61 0.03 0.02 0.00 0.00 177.57 176.35 1b64 h ARG 29 N 0.78 0.68 -0.98 1.57 3.08 0.24 -3.02 114.38 116.74 1b64 h ARG 29 Ca 0.58 -0.53 0.29 0.00 0.07 0.00 0.00 59.98 60.38 1b64 h ARG 29 Cb 0.89 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.00 1b64 h ARG 29 CO -0.38 1.15 0.71 0.66 -1.07 0.00 0.00 179.97 181.04 1b64 h SER 30 N 0.37 0.00 -2.47 7.04 4.64 0.43 -3.40 113.55 120.15 1b64 h SER 30 Ca -0.03 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.74 1b64 h SER 30 Cb 1.24 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.38 1b64 h SER 30 CO 0.13 0.00 1.00 -0.38 -0.87 0.00 0.00 176.83 176.70 1b64 n ILE 31 N -4.23 0.15 -3.67 0.95 5.41 -0.73 -4.97 119.36 112.26 1b64 n ILE 31 Ca 0.21 -0.03 -0.08 0.00 1.00 0.00 0.00 62.75 63.85 1b64 n ILE 31 Cb 1.05 -1.91 -0.09 0.00 -0.71 0.00 0.00 39.64 37.97 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 1.75 0.37 0.10 0.38 0.74 -1.26 -4.90 119.66 116.85 1b64 s GLN 32 Ca 0.79 1.01 0.03 0.00 0.05 0.00 0.00 55.36 57.24 1b64 s GLN 32 Cb -0.55 0.26 -0.04 0.00 1.10 0.00 0.00 33.01 33.79 1b64 s GLN 32 CO 0.36 -0.22 -0.09 0.00 -0.55 0.00 0.00 175.29 174.80 1b64 s ALA 33 N 2.27 1.05 0.12 1.58 0.00 -1.26 -5.06 121.76 120.46 1b64 s ALA 33 Ca -0.04 -1.24 -0.32 0.00 0.00 0.00 0.00 51.96 50.36 1b64 s ALA 33 Cb -0.11 0.08 -0.11 0.00 0.00 0.00 0.00 23.12 22.98 1b64 s ALA 33 CO -0.13 -0.11 1.80 -3.47 0.00 0.00 0.00 175.76 173.84 1b64 n ASP 34 N 0.35 3.87 0.00 0.00 2.03 -1.26 -0.21 116.55 121.33 1b64 n ASP 34 Ca -0.15 1.01 0.00 0.00 0.52 0.00 0.00 54.79 56.17 1b64 n ASP 34 Cb 0.59 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 1b64 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b64 n GLY 35 N 4.11 3.21 3.77 0.27 0.00 -1.26 -4.97 105.19 110.32 1b64 n GLY 35 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 4.38 -0.00 0.99 2.96 0.71 -4.44 118.68 123.27 1b64 s LEU 36 Ca 0.00 0.97 -0.01 0.00 -0.22 0.00 0.00 54.13 54.87 1b64 s LEU 36 Cb 0.00 -2.74 -0.00 0.00 0.50 0.00 0.00 46.19 43.95 1b64 s LEU 36 CO 0.00 0.12 0.01 -0.69 -1.32 0.00 0.00 176.35 174.47 1b64 s VAL 37 N -0.12 0.02 0.37 1.68 1.01 -1.23 -4.23 120.40 117.90 1b64 s VAL 37 Ca 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1b64 s VAL 37 Cb -0.17 -0.08 0.08 0.00 0.00 0.00 0.00 36.38 36.21 1b64 s VAL 37 CO 0.13 -0.10 0.51 0.79 0.00 0.00 0.00 175.10 176.44 1b64 n TRP 38 N 2.76 -3.31 0.00 5.22 7.02 -1.26 -0.70 117.44 127.18 1b64 n TRP 38 Ca -0.15 -0.81 0.00 0.00 -1.02 0.00 0.00 57.50 55.53 1b64 n TRP 38 Cb 0.59 -0.38 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 1b64 n TRP 38 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1b64 n GLY 39 N 1.19 -1.01 3.63 6.99 0.00 -1.22 -4.57 105.19 110.20 1b64 n GLY 39 Ca 0.08 0.27 -0.02 0.00 0.00 0.00 0.00 46.02 46.34 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 0.39 -0.53 0.58 1.61 0.01 -1.23 -5.08 113.70 109.45 1b64 s SER 40 Ca 0.00 0.84 -0.04 0.00 1.31 0.00 0.00 55.95 58.06 1b64 s SER 40 Cb 0.00 1.25 0.02 0.00 0.21 0.00 0.00 66.02 67.50 1b64 s SER 40 CO 0.00 -0.13 0.87 -0.94 0.41 0.00 0.00 173.24 173.45 1b64 s SER 41 N 1.43 5.49 0.16 2.44 1.04 -1.26 -3.07 113.70 119.92 1b64 s SER 41 Ca -0.09 0.54 0.06 0.00 0.48 0.00 0.00 55.95 56.95 1b64 s SER 41 Cb -0.04 -1.51 -0.04 0.00 0.10 0.00 0.00 66.02 64.52 1b64 s SER 41 CO -0.15 -1.09 -0.13 -0.54 0.98 0.00 0.00 173.24 172.30 1b64 s LYS 42 N -4.94 1.17 0.14 4.02 1.02 -0.29 -4.88 119.74 115.98 1b64 s LYS 42 Ca 0.54 -1.45 0.10 0.00 0.02 0.00 0.00 55.97 55.18 1b64 s LYS 42 Cb -0.10 -0.94 -0.04 0.00 -0.52 0.00 0.00 37.83 36.23 1b64 s LYS 42 CO 0.43 0.16 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.27 1b64 s LEU 43 N -3.01 2.35 -0.29 3.17 2.01 -1.26 -3.20 118.68 118.45 1b64 s LEU 43 Ca 0.17 -0.76 0.02 0.00 0.01 0.00 0.00 54.13 53.56 1b64 s LEU 43 Cb -0.01 -1.06 0.16 0.00 0.01 0.00 0.00 46.19 45.29 1b64 s LEU 43 CO 0.04 0.11 0.40 -0.69 1.01 0.00 0.00 176.35 177.22 1b64 s VAL 44 N -1.31 -0.62 0.31 -1.59 1.01 -1.26 -4.97 120.40 111.97 1b64 s VAL 44 Ca 0.13 -0.31 -0.28 0.00 0.00 0.00 0.00 61.98 61.52 1b64 s VAL 44 Cb -0.09 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.21 1b64 s VAL 44 CO 0.06 -0.30 1.07 -2.16 0.00 0.00 0.00 175.10 173.78 1b64 s PRO 45 N 2.53 4.51 -0.10 2.72 0.04 -1.26 -0.75 135.00 142.70 1b64 s PRO 45 Ca 0.10 1.69 -0.06 0.00 0.04 0.00 0.00 61.00 62.77 1b64 s PRO 45 Cb -0.13 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 1b64 s PRO 45 CO -0.30 0.13 -0.11 0.28 0.04 0.00 0.00 177.00 177.04 1b64 h VAL 46 N 2.83 0.00 0.00 -0.36 2.07 -1.93 -3.48 116.25 115.38 1b64 h VAL 46 Ca -0.47 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1b64 h VAL 46 Cb 1.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1b64 h VAL 46 CO 0.66 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.86 1b64 n GLY 47 N 1.68 0.84 2.96 2.17 0.00 -1.26 -5.10 105.19 106.48 1b64 n GLY 47 Ca -0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 0.34 -1.18 0.00 1.61 2.02 -1.26 -4.95 117.35 113.93 1b64 s TYR 48 Ca 0.00 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1b64 s TYR 48 Cb 0.00 0.06 0.00 0.00 -0.40 0.00 0.00 41.96 41.62 1b64 s TYR 48 CO 0.00 -1.12 0.00 0.41 -1.57 0.00 0.00 175.55 173.27 1b64 n GLY 49 N 4.01 2.64 3.90 0.71 0.00 -1.26 -5.13 105.19 110.06 1b64 n GLY 49 Ca 0.13 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 4.46 0.19 -0.61 1.09 -1.26 -4.53 121.20 120.54 1b64 s ILE 50 Ca 0.00 -1.21 -0.12 0.00 -1.10 0.00 0.00 60.65 58.21 1b64 s ILE 50 Cb 0.00 -3.50 0.00 0.00 -1.06 0.00 0.00 42.46 37.91 1b64 s ILE 50 CO 0.00 -0.28 0.39 -0.54 -0.10 0.00 0.00 174.94 174.41 1b64 s LYS 51 N -3.96 1.29 0.44 2.79 1.02 -1.26 -3.55 119.74 116.51 1b64 s LYS 51 Ca 0.37 -1.09 -0.11 0.00 0.02 0.00 0.00 55.97 55.15 1b64 s LYS 51 Cb -0.08 0.44 -0.06 0.00 -0.52 0.00 0.00 37.83 37.60 1b64 s LYS 51 CO 0.27 -0.51 0.82 0.21 -0.92 0.00 0.00 175.35 175.23 1b64 s LYS 52 N -3.95 3.79 -0.68 1.68 2.20 0.07 -4.42 119.74 118.44 1b64 s LYS 52 Ca 0.16 0.56 0.04 0.00 -0.36 0.00 0.00 55.97 56.37 1b64 s LYS 52 Cb 0.01 -2.33 0.32 0.00 -1.51 0.00 0.00 37.83 34.33 1b64 s LYS 52 CO 0.01 -0.11 1.08 -0.11 -0.36 0.00 0.00 175.35 175.86 1b64 n LEU 53 N -1.47 4.93 -4.78 5.43 -0.00 -0.23 -4.22 117.00 116.66 1b64 n LEU 53 Ca 0.03 -5.59 -0.39 0.00 -0.00 0.00 0.00 56.01 50.06 1b64 n LEU 53 Cb 0.54 -0.70 -0.06 0.00 -0.00 0.00 0.00 43.42 43.20 1b64 n LEU 53 CO 0.48 2.24 0.32 -1.58 -0.00 0.00 0.00 177.39 178.85 1b64 s GLN 54 N -3.46 4.31 -0.03 1.96 0.74 -1.19 -1.68 119.66 120.30 1b64 s GLN 54 Ca 0.45 0.81 -0.07 0.00 0.05 0.00 0.00 55.36 56.60 1b64 s GLN 54 Cb 0.24 -3.29 0.01 0.00 1.10 0.00 0.00 33.01 31.07 1b64 s GLN 54 CO -0.11 0.51 0.15 0.96 -0.55 0.00 0.00 175.29 176.25 1b64 s ILE 55 N -0.70 0.05 -0.00 -2.34 -0.00 -0.55 -1.13 121.20 116.52 1b64 s ILE 55 Ca 0.31 -0.39 0.05 0.00 -0.00 0.00 0.00 60.65 60.63 1b64 s ILE 55 Cb -0.19 -0.35 -0.03 0.00 -0.00 0.00 0.00 42.46 41.89 1b64 s ILE 55 CO 0.19 -0.21 -0.16 -1.58 -0.00 0.00 0.00 174.94 173.19 1b64 s GLN 56 N -0.74 2.30 0.34 0.37 2.00 -1.18 -0.79 119.66 121.96 1b64 s GLN 56 Ca -0.08 -0.84 0.05 0.00 -2.00 0.00 0.00 55.36 52.49 1b64 s GLN 56 Cb -0.05 -2.29 -0.03 0.00 0.80 0.00 0.00 33.01 31.44 1b64 s GLN 56 CO 0.01 0.58 0.21 0.00 -0.50 0.00 0.00 175.29 175.59 1b64 s VAL 58 N -3.47 0.91 0.82 0.00 1.01 0.13 -2.98 120.40 116.82 1b64 s VAL 58 Ca 0.35 -2.68 -0.10 0.00 0.00 0.00 0.00 61.98 59.56 1b64 s VAL 58 Cb 0.03 -1.63 0.14 0.00 0.00 0.00 0.00 36.38 34.92 1b64 s VAL 58 CO 0.21 -1.08 1.15 0.68 0.00 0.00 0.00 175.10 176.07 1b64 s VAL 59 N 0.11 2.10 0.74 2.92 -7.23 -0.69 -3.57 120.40 114.78 1b64 s VAL 59 Ca 0.25 -0.21 -0.08 0.00 -1.81 0.00 0.00 61.98 60.13 1b64 s VAL 59 Cb -0.09 -2.89 0.07 0.00 0.56 0.00 0.00 36.38 34.03 1b64 s VAL 59 CO -0.11 0.00 1.06 -1.61 -0.31 0.00 0.00 175.10 174.14 1b64 s GLU 60 N -5.51 2.11 0.03 4.82 0.41 -1.24 0.50 118.70 119.82 1b64 s GLU 60 Ca 0.67 -0.17 -0.13 0.00 -0.41 0.00 0.00 54.97 54.94 1b64 s GLU 60 Cb -0.07 -2.11 -0.07 0.00 -1.78 0.00 0.00 34.13 30.11 1b64 s GLU 60 CO 0.48 -1.35 1.20 0.22 -0.49 0.00 0.00 175.26 175.33 1b64 h ASP 61 N -0.74 -0.50 0.00 -0.19 3.58 -0.99 -3.38 116.42 114.21 1b64 h ASP 61 Ca -0.45 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 56.98 1b64 h ASP 61 Cb 1.32 0.16 -0.12 0.00 1.72 0.00 0.00 39.33 42.41 1b64 h ASP 61 CO 0.61 -0.26 -0.59 -0.67 -2.88 0.00 0.00 179.24 175.46 1b64 n ASP 62 N -3.43 0.90 -0.11 2.28 2.03 -1.26 -4.80 116.55 112.15 1b64 n ASP 62 Ca -0.05 -2.41 -0.24 0.00 0.52 0.00 0.00 54.79 52.61 1b64 n ASP 62 Cb 0.17 -0.31 -0.11 0.00 -0.72 0.00 0.00 41.12 40.15 1b64 n ASP 62 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1b64 n LYS 63 N -0.21 0.62 -4.83 -0.67 3.00 -1.26 -4.95 118.16 109.85 1b64 n LYS 63 Ca 0.07 0.32 -0.25 0.00 -0.00 0.00 0.00 58.31 58.44 1b64 n LYS 63 Cb 0.83 -1.59 -0.16 0.00 0.00 0.00 0.00 35.03 34.11 1b64 n LYS 63 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1b64 s VAL 64 N -2.48 1.40 0.32 3.15 1.01 -1.26 -4.95 120.40 117.59 1b64 s VAL 64 Ca -0.34 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1b64 s VAL 64 Cb 0.10 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1b64 s VAL 64 CO 0.57 0.40 0.14 -0.83 0.00 0.00 0.00 175.10 175.38 1b64 s GLY 65 N -0.17 2.13 -0.20 4.51 0.00 -1.26 -3.63 107.32 108.69 1b64 s GLY 65 Ca 0.01 -1.71 -0.05 0.00 0.00 0.00 0.00 44.72 42.97 1b64 s GLY 65 CO 0.01 -1.65 2.91 2.41 0.00 0.00 0.00 173.10 176.78 1b64 n THR 66 N -0.64 2.54 -0.09 0.90 -1.04 -1.26 -3.95 114.28 110.74 1b64 n THR 66 Ca -0.01 -1.32 -0.12 0.00 -2.04 0.00 0.00 64.05 60.57 1b64 n THR 66 Cb 0.65 -1.97 -0.04 0.00 -1.82 0.00 0.00 70.33 67.15 1b64 n THR 66 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1b64 n ASP 67 N 2.80 1.86 -0.04 8.00 5.75 -1.26 -4.07 116.55 129.60 1b64 n ASP 67 Ca 0.39 0.31 -0.14 0.00 -0.01 0.00 0.00 54.79 55.34 1b64 n ASP 67 Cb 0.64 -0.71 -0.09 0.00 -1.03 0.00 0.00 41.12 39.93 1b64 n ASP 67 CO 0.00 0.00 0.00 -0.03 -0.11 0.00 0.00 177.20 177.06 1b64 h MET 68 N -0.92 0.26 -0.81 0.11 4.05 -1.99 -2.56 114.93 113.07 1b64 h MET 68 Ca -0.11 -0.17 0.11 0.00 -0.28 0.00 0.00 59.70 59.25 1b64 h MET 68 Cb 1.03 0.02 -0.08 0.00 -0.80 0.00 0.00 31.60 31.77 1b64 h MET 68 CO -0.07 0.75 0.44 -0.07 0.23 0.00 0.00 176.91 178.20 1b64 h LEU 69 N -0.21 0.60 0.46 3.39 3.38 -1.84 0.12 115.31 121.21 1b64 h LEU 69 Ca 0.00 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1b64 h LEU 69 Cb 0.74 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1b64 h LEU 69 CO 0.04 0.32 -0.26 -0.08 0.09 0.00 0.00 178.44 178.55 1b64 h GLU 70 N 0.71 -0.65 0.00 1.13 4.81 -1.69 1.62 114.58 120.51 1b64 h GLU 70 Ca 0.41 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 1b64 h GLU 70 Cb 0.44 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1b64 h GLU 70 CO -0.28 -0.43 0.00 0.39 -0.73 0.00 0.00 179.01 177.96 1b64 n GLU 71 N -5.39 0.00 -0.13 1.92 1.02 -0.76 0.55 120.64 117.85 1b64 n GLU 71 Ca -0.11 0.40 -0.26 0.00 -0.02 0.00 0.00 57.16 57.16 1b64 n GLU 71 Cb 0.29 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.11 1b64 n GLU 71 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1b64 n GLN 72 N -1.49 0.61 0.05 3.49 1.13 0.33 -3.31 117.38 118.19 1b64 n GLN 72 Ca 0.01 0.29 -0.12 0.00 -1.94 0.00 0.00 57.00 55.25 1b64 n GLN 72 Cb 0.06 -1.55 -0.09 0.00 0.11 0.00 0.00 30.24 28.78 1b64 n GLN 72 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1b64 h ILE 73 N -0.77 1.00 0.00 5.09 2.04 0.28 -2.96 117.51 122.19 1b64 h ILE 73 Ca -0.62 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.17 1b64 h ILE 73 Cb 1.64 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1b64 h ILE 73 CO -0.31 0.24 0.00 0.35 0.00 0.00 0.00 178.15 178.43 1b64 n THR 74 N -4.93 0.15 0.27 -0.27 -2.24 0.19 -2.81 114.28 104.63 1b64 n THR 74 Ca -0.08 0.04 0.06 0.00 -2.27 0.00 0.00 64.05 61.80 1b64 n THR 74 Cb 0.27 -0.68 0.30 0.00 -2.10 0.00 0.00 70.33 68.11 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 -1.13 1.35 -3.64 6.98 0.00 -1.12 -3.99 120.51 118.96 1b64 n ALA 75 Ca 0.14 0.03 -0.39 0.00 0.00 0.00 0.00 53.44 53.23 1b64 n ALA 75 Cb 0.12 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.49 0.00 0.08 -1.12 -4.87 117.98 110.90 1b64 s PHE 76 Ca 0.03 -2.47 0.29 0.00 0.12 0.00 0.00 56.93 54.90 1b64 s PHE 76 Cb 0.06 -3.34 1.26 0.00 -0.57 0.00 0.00 43.02 40.44 1b64 s PHE 76 CO 0.19 -0.90 1.89 0.39 -0.10 0.00 0.00 175.22 176.70 1b64 n GLU 77 N 3.86 0.52 -0.89 0.44 1.02 -1.26 -0.62 120.64 123.71 1b64 n GLU 77 Ca 0.06 -0.13 0.07 0.00 -0.02 0.00 0.00 57.16 57.13 1b64 n GLU 77 Cb 0.40 -1.50 0.40 0.00 -0.02 0.00 0.00 31.44 30.72 1b64 n GLU 77 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1b64 n ASP 78 N -1.13 5.69 0.00 1.62 8.00 -1.26 -4.47 116.55 125.01 1b64 n ASP 78 Ca 0.13 -2.91 0.00 0.00 0.71 0.00 0.00 54.79 52.72 1b64 n ASP 78 Cb 0.28 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1b64 n ASP 78 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1b64 n TYR 79 N 0.63 -0.71 -2.98 1.24 4.02 -1.17 -4.94 117.16 113.25 1b64 n TYR 79 Ca 0.27 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.76 1b64 n TYR 79 Cb 1.19 0.19 -0.04 0.00 -0.02 0.00 0.00 39.34 40.66 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 -1.38 4.99 -0.01 -0.72 1.01 0.21 -0.16 120.40 124.34 1b64 s VAL 80 Ca 0.00 1.53 -0.03 0.00 0.00 0.00 0.00 61.98 63.47 1b64 s VAL 80 Cb 0.00 -4.08 -0.28 0.00 0.00 0.00 0.00 36.38 32.02 1b64 s VAL 80 CO 0.00 0.18 0.82 -0.61 0.00 0.00 0.00 175.10 175.49 1b64 h GLN 81 N 6.95 0.26 0.00 2.72 4.15 0.17 -3.42 115.11 125.94 1b64 h GLN 81 Ca -0.38 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 58.60 1b64 h GLN 81 Cb 1.18 0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.03 1b64 h GLN 81 CO 0.77 1.12 0.00 -1.13 -1.93 0.00 0.00 178.83 177.66 1b64 n SER 82 N -3.46 0.00 -4.83 -0.69 3.41 -1.24 -4.99 113.62 101.83 1b64 n SER 82 Ca -0.18 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.10 1b64 n SER 82 Cb 1.05 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.93 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 4.18 0.16 4.33 1.75 -1.26 -3.42 119.30 125.04 1b64 s MET 83 Ca 0.00 1.02 -0.03 0.00 -1.25 0.00 0.00 55.69 55.44 1b64 s MET 83 Cb 0.00 -2.24 0.01 0.00 2.84 0.00 0.00 34.83 35.45 1b64 s MET 83 CO 0.00 0.01 0.26 -0.25 -0.65 0.00 0.00 175.02 174.39 1b64 n ASP 84 N -0.58 -0.75 -4.63 1.11 8.00 -1.14 -5.00 116.55 113.57 1b64 n ASP 84 Ca 0.06 -1.81 -0.35 0.00 0.71 0.00 0.00 54.79 53.41 1b64 n ASP 84 Cb 0.54 1.33 -0.10 0.00 -0.02 0.00 0.00 41.12 42.86 1b64 n ASP 84 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1b64 s VAL 85 N -2.60 4.26 -0.12 2.53 0.11 -1.26 -2.40 120.40 120.92 1b64 s VAL 85 Ca 0.11 -0.25 0.17 0.00 -2.93 0.00 0.00 61.98 59.08 1b64 s VAL 85 Cb -0.01 -2.82 -0.18 0.00 -1.53 0.00 0.00 36.38 31.84 1b64 s VAL 85 CO 0.08 0.56 0.67 0.00 -3.33 0.00 0.00 175.10 173.09 1b64 n ALA 86 N 2.62 1.88 -3.61 1.54 0.00 0.96 -4.74 120.51 119.17 1b64 n ALA 86 Ca -0.18 -0.68 -0.00 0.00 0.00 0.00 0.00 53.44 52.58 1b64 n ALA 86 Cb 0.53 -0.82 -0.01 0.00 0.00 0.00 0.00 19.45 19.15 1b64 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b64 s ALA 87 N -2.87 -2.27 -0.30 0.00 0.00 -1.15 -4.98 121.76 110.19 1b64 s ALA 87 Ca -0.04 1.41 -0.02 0.00 0.00 0.00 0.00 51.96 53.30 1b64 s ALA 87 Cb 0.09 -0.06 0.12 0.00 0.00 0.00 0.00 23.12 23.26 1b64 s ALA 87 CO 0.82 -0.77 0.19 -0.06 0.00 0.00 0.00 175.76 175.94 1b64 s PHE 88 N -2.17 0.14 0.28 0.00 0.08 -1.26 -3.75 117.98 111.31 1b64 s PHE 88 Ca 0.13 -0.79 -0.14 0.00 0.12 0.00 0.00 56.93 56.25 1b64 s PHE 88 Cb 0.02 -0.77 0.01 0.00 -0.57 0.00 0.00 43.02 41.71 1b64 s PHE 88 CO -0.04 -0.86 0.57 -0.80 -0.10 0.00 0.00 175.22 173.99 1b64 s ASN 89 N 2.02 0.01 0.90 1.36 -0.87 -1.22 -5.11 114.94 112.03 1b64 s ASN 89 Ca 0.10 -0.95 -0.14 0.00 -1.57 0.00 0.00 52.86 50.31 1b64 s ASN 89 Cb -0.16 0.66 0.14 0.00 -0.02 0.00 0.00 41.25 41.87 1b64 s ASN 89 CO -0.30 -1.28 1.21 -0.54 -2.57 0.00 0.00 177.10 173.61 1b64 s LYS 90 N -3.65 1.22 0.00 -0.60 1.02 -1.26 -1.86 119.74 114.60 1b64 s LYS 90 Ca 0.20 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.18 1b64 s LYS 90 Cb -0.02 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1b64 s LYS 90 CO 0.10 -2.09 0.46 1.51 -0.92 0.00 0.00 175.35 174.41