#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 4.26 0.02 4.03 1.02 -1.26 -5.10 118.68 121.64 1b64 s LEU 2 Ca 0.00 0.37 -0.01 0.00 0.02 0.00 0.00 54.13 54.51 1b64 s LEU 2 Cb 0.00 -2.24 -0.02 0.00 0.02 0.00 0.00 46.19 43.95 1b64 s LEU 2 CO 0.00 0.35 -0.01 -0.69 0.02 0.00 0.00 176.35 176.02 1b64 s VAL 3 N -1.13 0.11 0.00 -1.59 1.01 -1.26 -4.99 120.40 112.56 1b64 s VAL 3 Ca 0.20 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1b64 s VAL 3 Cb -0.12 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1b64 s VAL 3 CO 0.10 -0.52 0.00 0.00 0.00 0.00 0.00 175.10 174.68 1b64 n ALA 4 N 1.49 -1.48 -1.98 5.51 0.00 -1.26 -4.90 120.51 117.90 1b64 n ALA 4 Ca -0.23 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 52.97 1b64 n ALA 4 Cb 0.55 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.10 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 -1.40 1.86 -0.15 0.00 -0.14 -1.26 -2.73 119.74 115.91 1b64 s LYS 5 Ca 0.00 -0.91 -0.07 0.00 -1.36 0.00 0.00 55.97 53.63 1b64 s LYS 5 Cb 0.00 -2.32 0.06 0.00 -1.68 0.00 0.00 37.83 33.89 1b64 s LYS 5 CO 0.00 -1.33 0.34 -1.54 -0.76 0.00 0.00 175.35 172.07 1b64 s SER 6 N -4.65 -0.36 -0.62 2.83 1.04 0.43 -3.12 113.70 109.24 1b64 s SER 6 Ca 0.64 0.75 -0.12 0.00 0.48 0.00 0.00 55.95 57.70 1b64 s SER 6 Cb -0.07 0.67 0.16 0.00 0.10 0.00 0.00 66.02 66.88 1b64 s SER 6 CO 0.44 -0.19 0.54 -0.44 0.98 0.00 0.00 173.24 174.57 1b64 s SER 7 N 1.48 6.16 0.21 7.02 0.01 -1.24 -0.38 113.70 126.96 1b64 s SER 7 Ca -0.08 -2.22 -0.22 0.00 1.31 0.00 0.00 55.95 54.74 1b64 s SER 7 Cb -0.10 -2.13 -0.08 0.00 0.21 0.00 0.00 66.02 63.93 1b64 s SER 7 CO -0.11 -0.68 0.75 -0.63 0.41 0.00 0.00 173.24 172.99 1b64 s ILE 8 N 0.92 4.48 -0.38 1.44 1.09 -1.24 -4.69 121.20 122.82 1b64 s ILE 8 Ca 0.10 1.46 0.01 0.00 -1.10 0.00 0.00 60.65 61.12 1b64 s ILE 8 Cb -0.22 -3.96 0.11 0.00 -1.06 0.00 0.00 42.46 37.33 1b64 s ILE 8 CO -0.02 0.32 0.13 -0.22 -0.10 0.00 0.00 174.94 175.04 1b64 s LEU 9 N -1.68 4.97 -0.10 2.97 2.96 -0.94 -0.83 118.68 126.03 1b64 s LEU 9 Ca 0.41 -2.14 -0.21 0.00 -0.22 0.00 0.00 54.13 51.97 1b64 s LEU 9 Cb -0.19 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1b64 s LEU 9 CO 0.23 -0.44 0.58 -0.76 -1.32 0.00 0.00 176.35 174.63 1b64 s LEU 10 N 0.95 4.29 -0.58 -0.68 1.02 -0.63 0.16 118.68 123.21 1b64 s LEU 10 Ca 0.10 0.98 -0.12 0.00 0.02 0.00 0.00 54.13 55.11 1b64 s LEU 10 Cb -0.21 -2.87 0.15 0.00 0.02 0.00 0.00 46.19 43.28 1b64 s LEU 10 CO -0.06 -0.06 0.50 -0.62 0.02 0.00 0.00 176.35 176.13 1b64 s ASP 11 N 0.72 6.08 0.36 2.29 -1.08 -1.07 -1.94 116.67 122.02 1b64 s ASP 11 Ca 0.31 -2.09 -0.15 0.00 -0.52 0.00 0.00 52.55 50.10 1b64 s ASP 11 Cb -0.16 -2.12 -0.09 0.00 -1.46 0.00 0.00 42.92 39.09 1b64 s ASP 11 CO 0.14 -0.71 0.78 -0.69 0.52 0.00 0.00 175.17 175.20 1b64 s VAL 12 N 1.11 4.66 -0.11 1.11 1.01 -0.01 -2.75 120.40 125.42 1b64 s VAL 12 Ca 0.08 0.96 0.02 0.00 0.00 0.00 0.00 61.98 63.04 1b64 s VAL 12 Cb -0.24 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1b64 s VAL 12 CO -0.01 -0.29 -0.18 -0.75 0.00 0.00 0.00 175.10 173.87 1b64 s LYS 13 N -3.22 2.49 0.37 2.72 2.47 -1.24 -1.46 119.74 121.87 1b64 s LYS 13 Ca 0.55 -0.67 -0.25 0.00 -1.56 0.00 0.00 55.97 54.03 1b64 s LYS 13 Cb -0.10 -2.02 -0.09 0.00 -1.46 0.00 0.00 37.83 34.16 1b64 s LYS 13 CO 0.20 0.02 1.06 -1.25 0.16 0.00 0.00 175.35 175.54 1b64 s PRO 14 N 0.75 4.30 0.56 4.03 0.04 -1.26 0.18 135.00 143.59 1b64 s PRO 14 Ca -0.11 1.59 0.24 0.00 0.04 0.00 0.00 61.00 62.76 1b64 s PRO 14 Cb -0.16 -2.72 1.51 0.00 0.04 0.00 0.00 34.50 33.17 1b64 s PRO 14 CO 0.02 -0.04 2.13 -1.49 0.04 0.00 0.00 177.00 177.66 1b64 h TRP 15 N 2.86 0.00 -1.73 0.56 -0.00 -1.50 -3.42 115.95 112.73 1b64 h TRP 15 Ca -0.48 0.00 0.25 0.00 -0.00 0.00 0.00 58.89 58.66 1b64 h TRP 15 Cb 1.21 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 30.33 1b64 h TRP 15 CO 0.58 0.00 0.63 -3.47 -0.00 0.00 0.00 178.44 176.18 1b64 n ASP 16 N -4.17 -0.72 0.28 -3.49 -0.08 -1.26 -4.98 116.55 102.13 1b64 n ASP 16 Ca 0.01 -1.08 0.17 0.00 -1.51 0.00 0.00 54.79 52.37 1b64 n ASP 16 Cb 0.25 1.09 0.77 0.00 2.34 0.00 0.00 41.12 45.57 1b64 n ASP 16 CO 0.00 0.00 0.00 -2.24 0.12 0.00 0.00 177.20 175.08 1b64 h ASP 17 N 1.30 0.00 0.48 1.67 3.04 -1.88 -1.63 116.42 119.39 1b64 h ASP 17 Ca -0.13 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.64 1b64 h ASP 17 Cb 0.76 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.05 1b64 h ASP 17 CO 0.20 0.05 -0.10 1.05 -2.04 0.00 0.00 179.24 178.39 1b64 h GLU 18 N 0.00 0.00 -6.21 4.15 4.11 -1.93 -3.42 114.58 111.28 1b64 h GLU 18 Ca -0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.85 1b64 h GLU 18 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1b64 h GLU 18 CO 0.01 0.10 1.32 0.99 0.07 0.00 0.00 179.01 181.50 1b64 s THR 19 N -4.06 3.38 -0.77 -1.06 2.01 -0.62 -4.84 115.64 109.68 1b64 s THR 19 Ca -0.02 0.38 -0.24 0.00 0.31 0.00 0.00 61.69 62.12 1b64 s THR 19 Cb 0.12 -3.52 -0.17 0.00 0.01 0.00 0.00 72.50 68.95 1b64 s THR 19 CO 0.57 -0.33 2.42 -0.67 -0.69 0.00 0.00 174.62 175.92 1b64 n ASP 20 N 10.62 1.12 0.21 3.53 -0.08 -1.26 -4.72 116.55 125.98 1b64 n ASP 20 Ca 0.24 -0.71 0.06 0.00 -1.51 0.00 0.00 54.79 52.87 1b64 n ASP 20 Cb 0.46 -1.31 0.53 0.00 2.34 0.00 0.00 41.12 43.15 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 14.54 0.05 -0.45 -0.67 2.86 -1.88 0.25 114.93 129.63 1b64 h MET 21 Ca -0.08 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.41 1b64 h MET 21 Cb 1.17 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1b64 h MET 21 CO 1.23 0.15 -0.28 0.00 1.06 0.00 0.00 176.91 179.08 1b64 h ALA 22 N 1.85 0.63 0.06 6.32 0.00 -1.98 0.24 119.26 126.39 1b64 h ALA 22 Ca 0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1b64 h ALA 22 Cb 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1b64 h ALA 22 CO 0.01 0.67 -0.03 -0.22 0.00 0.00 0.00 179.25 179.69 1b64 h LYS 23 N 0.82 -0.07 -0.90 0.00 1.63 -1.71 0.61 116.57 116.95 1b64 h LYS 23 Ca 0.09 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.98 1b64 h LYS 23 Cb 0.87 0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.44 1b64 h LYS 23 CO 0.08 0.48 0.55 1.25 -3.45 0.00 0.00 179.45 178.36 1b64 h LEU 24 N -0.69 0.84 -0.06 5.20 6.46 -0.55 1.29 115.31 127.81 1b64 h LEU 24 Ca -0.01 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.73 1b64 h LEU 24 Cb 0.59 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1b64 h LEU 24 CO 0.01 0.51 -0.16 -0.08 -0.62 0.00 0.00 178.44 178.10 1b64 h GLU 25 N 0.96 0.21 0.82 1.25 4.81 -0.51 -1.74 114.58 120.37 1b64 h GLU 25 Ca 0.41 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1b64 h GLU 25 Cb 0.29 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.70 1b64 h GLU 25 CO -0.21 0.76 -0.39 0.93 -0.73 0.00 0.00 179.01 179.37 1b64 h GLU 26 N -0.31 -1.06 -0.71 1.92 4.39 0.89 -2.57 114.58 117.12 1b64 h GLU 26 Ca -0.00 0.07 0.16 0.00 0.34 0.00 0.00 59.36 59.93 1b64 h GLU 26 Cb 0.77 0.24 -0.12 0.00 -0.10 0.00 0.00 28.75 29.54 1b64 h GLU 26 CO 0.03 -0.70 0.00 0.00 -1.16 0.00 0.00 179.01 177.18 1b64 h VAL 28 N 0.11 0.27 -0.17 0.00 2.07 -1.13 0.47 116.25 117.87 1b64 h VAL 28 Ca 0.38 -0.06 -0.11 0.00 0.82 0.00 0.00 66.70 67.73 1b64 h VAL 28 Cb 0.66 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1b64 h VAL 28 CO -0.62 0.03 -0.34 0.03 0.02 0.00 0.00 177.57 176.69 1b64 h ARG 29 N 0.18 0.52 -0.47 1.57 3.08 0.76 -2.88 114.38 117.15 1b64 h ARG 29 Ca 0.58 -0.34 0.14 0.00 0.07 0.00 0.00 59.98 60.43 1b64 h ARG 29 Cb 1.21 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 1b64 h ARG 29 CO -0.69 0.95 0.64 0.66 -1.07 0.00 0.00 179.97 180.47 1b64 h SER 30 N 0.17 0.00 -2.21 7.04 4.64 0.22 -3.41 113.55 120.00 1b64 h SER 30 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 1b64 h SER 30 Cb 0.94 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.08 1b64 h SER 30 CO 0.08 0.00 0.81 -0.38 -0.87 0.00 0.00 176.83 176.46 1b64 n ILE 31 N -3.39 0.06 -4.38 0.95 5.41 -0.43 -4.97 119.36 112.60 1b64 n ILE 31 Ca 0.09 -0.01 -0.19 0.00 1.00 0.00 0.00 62.75 63.64 1b64 n ILE 31 Cb 0.82 -1.53 -0.15 0.00 -0.71 0.00 0.00 39.64 38.08 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 1.22 0.81 0.07 0.38 2.00 -1.26 -4.97 119.66 117.90 1b64 s GLN 32 Ca 0.81 -0.32 -0.26 0.00 -2.00 0.00 0.00 55.36 53.58 1b64 s GLN 32 Cb -0.70 -0.78 0.07 0.00 0.80 0.00 0.00 33.01 32.40 1b64 s GLN 32 CO 0.40 0.17 0.63 0.00 -0.50 0.00 0.00 175.29 175.99 1b64 s ALA 33 N -0.10 -1.65 0.21 1.58 0.00 -1.26 -5.07 121.76 115.47 1b64 s ALA 33 Ca 0.02 0.84 -0.31 0.00 0.00 0.00 0.00 51.96 52.51 1b64 s ALA 33 Cb -0.05 0.49 -0.10 0.00 0.00 0.00 0.00 23.12 23.46 1b64 s ALA 33 CO -0.00 -0.59 1.50 0.34 0.00 0.00 0.00 175.76 177.01 1b64 s ASP 34 N -2.05 6.61 0.00 0.00 2.15 -1.26 -1.19 116.67 120.92 1b64 s ASP 34 Ca -0.04 2.65 0.00 0.00 0.43 0.00 0.00 52.55 55.59 1b64 s ASP 34 Cb -0.01 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1b64 s ASP 34 CO -0.03 -0.77 0.00 0.61 -0.17 0.00 0.00 175.17 174.82 1b64 n GLY 35 N 2.91 0.28 3.50 2.66 0.00 -1.26 -4.61 105.19 108.68 1b64 n GLY 35 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 4.16 -0.05 0.99 2.96 -0.34 -3.44 118.68 122.97 1b64 s LEU 36 Ca 0.00 -0.35 0.06 0.00 -0.22 0.00 0.00 54.13 53.62 1b64 s LEU 36 Cb 0.00 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 1b64 s LEU 36 CO 0.00 -0.16 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.95 1b64 s VAL 37 N 1.68 1.87 -0.25 1.68 1.01 -1.17 -4.50 120.40 120.73 1b64 s VAL 37 Ca 0.06 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1b64 s VAL 37 Cb -0.17 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1b64 s VAL 37 CO 0.08 0.52 0.43 0.26 0.00 0.00 0.00 175.10 176.40 1b64 s TRP 38 N -0.16 3.28 0.00 5.22 0.23 -1.26 0.11 118.94 126.36 1b64 s TRP 38 Ca -0.02 0.54 0.00 0.00 -2.03 0.00 0.00 56.10 54.59 1b64 s TRP 38 Cb -0.13 -2.62 0.00 0.00 0.03 0.00 0.00 33.47 30.76 1b64 s TRP 38 CO 0.03 -0.20 0.00 0.41 0.96 0.00 0.00 176.95 178.15 1b64 n GLY 39 N 4.40 1.04 3.34 0.98 0.00 -1.18 -4.97 105.19 108.81 1b64 n GLY 39 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.00 -0.59 0.49 1.61 0.01 -1.25 -5.06 113.70 107.91 1b64 s SER 40 Ca 0.00 1.00 -0.04 0.00 1.31 0.00 0.00 55.95 58.22 1b64 s SER 40 Cb 0.00 0.88 -0.02 0.00 0.21 0.00 0.00 66.02 67.09 1b64 s SER 40 CO 0.00 -0.20 0.77 -0.94 0.41 0.00 0.00 173.24 173.28 1b64 s SER 41 N 1.40 6.06 0.13 2.44 1.04 -1.26 -3.50 113.70 120.02 1b64 s SER 41 Ca -0.09 0.75 0.06 0.00 0.48 0.00 0.00 55.95 57.15 1b64 s SER 41 Cb -0.08 -2.02 -0.04 0.00 0.10 0.00 0.00 66.02 63.99 1b64 s SER 41 CO -0.14 -0.67 -0.15 -0.54 0.98 0.00 0.00 173.24 172.73 1b64 s LYS 42 N -4.73 1.07 0.09 4.02 1.02 -0.66 -4.94 119.74 115.61 1b64 s LYS 42 Ca 0.48 -1.28 0.08 0.00 0.02 0.00 0.00 55.97 55.28 1b64 s LYS 42 Cb -0.10 -0.96 -0.03 0.00 -0.52 0.00 0.00 37.83 36.21 1b64 s LYS 42 CO 0.43 0.19 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.32 1b64 s LEU 43 N -2.52 2.27 -0.16 3.17 2.01 -1.26 -3.31 118.68 118.87 1b64 s LEU 43 Ca 0.10 -0.65 -0.12 0.00 0.01 0.00 0.00 54.13 53.48 1b64 s LEU 43 Cb -0.05 -0.96 0.05 0.00 0.01 0.00 0.00 46.19 45.24 1b64 s LEU 43 CO 0.04 0.10 0.40 -0.69 1.01 0.00 0.00 176.35 177.21 1b64 s VAL 44 N -1.05 -0.01 0.25 -1.59 1.01 -1.25 -4.97 120.40 112.79 1b64 s VAL 44 Ca 0.08 0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 1b64 s VAL 44 Cb -0.10 -0.58 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 1b64 s VAL 44 CO 0.04 0.02 1.09 -2.16 0.00 0.00 0.00 175.10 174.09 1b64 s PRO 45 N 0.81 4.64 -0.22 2.72 0.04 -1.26 0.22 135.00 141.94 1b64 s PRO 45 Ca -0.05 1.76 -0.10 0.00 0.04 0.00 0.00 61.00 62.66 1b64 s PRO 45 Cb -0.06 -3.22 0.08 0.00 0.04 0.00 0.00 34.50 31.34 1b64 s PRO 45 CO -0.06 0.18 0.50 0.08 0.04 0.00 0.00 177.00 177.74 1b64 s VAL 46 N -0.86 -0.30 0.00 -0.36 1.01 -1.01 -4.82 120.40 114.06 1b64 s VAL 46 Ca 0.46 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1b64 s VAL 46 Cb -0.31 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1b64 s VAL 46 CO 0.39 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1b64 n GLY 47 N 4.72 -0.22 3.09 4.51 0.00 -1.26 -3.59 105.19 112.45 1b64 n GLY 47 Ca -0.17 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 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 0.00 3.39 0.00 1.61 6.14 -1.26 -4.58 117.35 122.65 1b64 s TYR 48 Ca 0.00 -2.35 0.00 0.00 0.64 0.00 0.00 57.07 55.36 1b64 s TYR 48 Cb 0.00 -2.27 0.00 0.00 0.42 0.00 0.00 41.96 40.11 1b64 s TYR 48 CO 0.00 -0.88 0.00 0.41 0.64 0.00 0.00 175.55 175.72 1b64 n GLY 49 N 4.46 1.02 3.92 8.97 0.00 -1.26 -4.91 105.19 117.39 1b64 n GLY 49 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.98 4.49 0.20 -0.61 1.01 -1.24 -4.62 121.20 116.46 1b64 s ILE 50 Ca 0.00 -1.15 -0.06 0.00 0.00 0.00 0.00 60.65 59.44 1b64 s ILE 50 Cb 0.00 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 1b64 s ILE 50 CO 0.00 -0.27 0.25 -0.54 0.00 0.00 0.00 174.94 174.38 1b64 s LYS 51 N -4.00 1.25 -0.06 2.79 3.01 -1.24 -2.40 119.74 119.08 1b64 s LYS 51 Ca 0.38 -1.40 -0.15 0.00 -1.01 0.00 0.00 55.97 53.78 1b64 s LYS 51 Cb -0.08 0.35 -0.05 0.00 -1.01 0.00 0.00 37.83 37.03 1b64 s LYS 51 CO 0.28 -0.45 0.40 0.21 0.51 0.00 0.00 175.35 176.30 1b64 s LYS 52 N -4.06 4.08 -1.01 1.68 2.20 0.58 -4.53 119.74 118.68 1b64 s LYS 52 Ca 0.28 0.36 -0.02 0.00 -0.36 0.00 0.00 55.97 56.23 1b64 s LYS 52 Cb 0.04 -3.31 0.30 0.00 -1.51 0.00 0.00 37.83 33.35 1b64 s LYS 52 CO 0.07 0.47 1.43 1.28 -0.36 0.00 0.00 175.35 178.25 1b64 n LEU 53 N 2.61 6.21 -4.86 5.43 7.99 -0.54 -3.77 117.00 130.07 1b64 n LEU 53 Ca -0.12 -5.28 -0.37 0.00 -0.01 0.00 0.00 56.01 50.24 1b64 n LEU 53 Cb 0.52 -1.17 -0.06 0.00 -0.11 0.00 0.00 43.42 42.60 1b64 n LEU 53 CO 0.39 1.80 -0.05 -1.58 -1.51 0.00 0.00 177.39 176.44 1b64 s GLN 54 N -2.97 3.64 0.01 3.23 0.74 -1.21 -0.83 119.66 122.27 1b64 s GLN 54 Ca 0.33 0.08 -0.16 0.00 0.05 0.00 0.00 55.36 55.67 1b64 s GLN 54 Cb 0.08 -3.18 0.03 0.00 1.10 0.00 0.00 33.01 31.03 1b64 s GLN 54 CO 0.06 0.73 0.34 0.96 -0.55 0.00 0.00 175.29 176.83 1b64 s ILE 55 N -1.09 0.06 -0.01 -2.34 -0.00 -0.82 -1.65 121.20 115.36 1b64 s ILE 55 Ca 0.20 -0.52 0.06 0.00 -0.00 0.00 0.00 60.65 60.40 1b64 s ILE 55 Cb -0.14 -0.77 -0.03 0.00 -0.00 0.00 0.00 42.46 41.52 1b64 s ILE 55 CO 0.09 -0.28 -0.20 -1.58 -0.00 0.00 0.00 174.94 172.97 1b64 s GLN 56 N -1.83 2.21 0.00 0.37 0.74 -1.23 -1.60 119.66 118.32 1b64 s GLN 56 Ca -0.10 -0.88 0.00 0.00 0.05 0.00 0.00 55.36 54.43 1b64 s GLN 56 Cb -0.03 -2.19 0.00 0.00 1.10 0.00 0.00 33.01 31.89 1b64 s GLN 56 CO 0.01 0.57 0.00 0.00 -0.55 0.00 0.00 175.29 175.33 1b64 n VAL 58 N -0.12 -0.06 -2.24 0.00 0.31 0.31 -3.65 118.33 112.87 1b64 n VAL 58 Ca 0.00 -2.82 -0.28 0.00 -0.01 0.00 0.00 64.34 61.23 1b64 n VAL 58 Cb 0.00 0.74 0.03 0.00 -0.91 0.00 0.00 33.84 33.70 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 -0.90 4.02 0.37 2.52 -7.23 0.49 -3.02 120.40 116.66 1b64 s VAL 59 Ca 0.30 0.29 -0.15 0.00 -1.81 0.00 0.00 61.98 60.61 1b64 s VAL 59 Cb 0.32 -3.60 -0.09 0.00 0.56 0.00 0.00 36.38 33.57 1b64 s VAL 59 CO -0.06 -0.69 0.80 -0.70 -0.31 0.00 0.00 175.10 174.14 1b64 s GLU 60 N -5.06 3.98 0.00 4.82 -6.30 -1.22 0.16 118.70 115.08 1b64 s GLU 60 Ca 0.54 0.71 0.17 0.00 -2.50 0.00 0.00 54.97 53.90 1b64 s GLU 60 Cb -0.11 -2.36 0.94 0.00 0.00 0.00 0.00 34.13 32.61 1b64 s GLU 60 CO 0.48 0.05 1.62 -3.47 0.02 0.00 0.00 175.26 173.96 1b64 n ASP 61 N -0.72 0.34 -0.99 -1.70 2.03 -1.11 -3.03 116.55 111.37 1b64 n ASP 61 Ca 0.04 -1.53 0.01 0.00 0.52 0.00 0.00 54.79 53.83 1b64 n ASP 61 Cb 0.54 -0.02 -0.00 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 -0.54 0.30 0.00 1.67 -0.08 -1.26 -5.00 116.55 111.64 1b64 n ASP 62 Ca 0.13 -1.90 0.00 0.00 -1.51 0.00 0.00 54.79 51.51 1b64 n ASP 62 Cb 0.11 -0.16 0.00 0.00 2.34 0.00 0.00 41.12 43.41 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 0.21 0.00 -3.91 -0.67 3.00 -1.17 -5.14 118.16 110.48 1b64 n LYS 63 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.08 1b64 n LYS 63 Cb 0.87 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.86 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 0.25 3.23 0.00 3.15 1.01 -1.24 -4.97 120.40 121.82 1b64 s VAL 64 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.48 1b64 s VAL 64 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1b64 s VAL 64 CO 0.00 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.55 1b64 n GLY 65 N -1.30 5.48 0.12 4.51 0.00 -1.26 -4.03 105.19 108.70 1b64 n GLY 65 Ca -0.02 -1.62 -0.04 0.00 0.00 0.00 0.00 46.02 44.34 1b64 n GLY 65 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1b64 h THR 66 N 0.21 1.52 0.00 2.61 2.02 -1.99 -3.34 112.91 113.93 1b64 h THR 66 Ca 0.00 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 64.64 1b64 h THR 66 Cb 0.00 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1b64 h THR 66 CO 0.00 0.73 0.00 -0.90 0.37 0.00 0.00 175.52 175.72 1b64 n ASP 67 N -3.67 0.00 -0.39 4.18 5.75 -1.26 0.21 116.55 121.37 1b64 n ASP 67 Ca -0.01 0.61 -0.05 0.00 -0.01 0.00 0.00 54.79 55.32 1b64 n ASP 67 Cb 0.73 -0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 40.67 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 -1.51 -0.32 0.02 0.11 1.56 -1.26 0.66 117.12 116.39 1b64 n MET 68 Ca 0.00 1.48 -0.14 0.00 -0.27 0.00 0.00 57.70 58.76 1b64 n MET 68 Cb 0.00 -2.18 -0.08 0.00 2.15 0.00 0.00 33.22 33.11 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 -1.52 -0.35 -0.89 3.38 -1.30 0.64 115.31 115.28 1b64 h LEU 69 Ca 0.25 0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.48 1b64 h LEU 69 Cb 0.49 0.59 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 1b64 h LEU 69 CO -0.94 -0.48 -0.21 -0.08 0.09 0.00 0.00 178.44 176.83 1b64 h GLU 70 N -0.59 -0.15 0.00 1.13 4.81 0.55 1.70 114.58 122.03 1b64 h GLU 70 Ca 0.04 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1b64 h GLU 70 Cb 0.68 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1b64 h GLU 70 CO -0.39 -0.10 0.00 0.39 -0.73 0.00 0.00 179.01 178.18 1b64 n GLU 71 N -5.37 0.01 -0.13 1.92 4.71 0.21 0.44 120.64 122.43 1b64 n GLU 71 Ca 0.01 0.36 -0.26 0.00 -0.01 0.00 0.00 57.16 57.26 1b64 n GLU 71 Cb 0.28 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 29.12 1b64 n GLU 71 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 1b64 n GLN 72 N -1.49 0.58 0.05 3.49 7.27 0.30 -3.72 117.38 123.85 1b64 n GLN 72 Ca 0.02 0.32 -0.03 0.00 0.07 0.00 0.00 57.00 57.38 1b64 n GLN 72 Cb 0.09 -1.54 -0.01 0.00 2.41 0.00 0.00 30.24 31.19 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 -1.00 0.00 -0.20 1.69 2.04 0.23 -3.26 117.51 117.01 1b64 h ILE 73 Ca -0.57 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 64.83 1b64 h ILE 73 Cb 1.49 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1b64 h ILE 73 CO -0.35 0.00 0.30 0.00 0.00 0.00 0.00 178.15 178.11 1b64 h THR 74 N -0.70 0.29 -1.86 -0.27 1.03 -0.18 -1.45 112.91 109.76 1b64 h THR 74 Ca -0.02 0.00 0.54 0.00 -0.01 0.00 0.00 66.41 66.92 1b64 h THR 74 Cb 0.14 0.74 -0.07 0.00 -1.07 0.00 0.00 68.15 67.89 1b64 h THR 74 CO 0.03 0.00 1.39 0.00 -0.01 0.00 0.00 175.52 176.93 1b64 h ALA 75 N 1.58 3.76 -2.11 0.00 0.00 -1.55 -2.69 119.26 118.25 1b64 h ALA 75 Ca 0.10 -0.06 -0.76 0.00 0.00 0.00 0.00 54.91 54.18 1b64 h ALA 75 Cb 0.70 0.14 -0.22 0.00 0.00 0.00 0.00 17.79 18.41 1b64 h ALA 75 CO -0.00 -2.34 0.88 -0.06 0.00 0.00 0.00 179.25 177.73 1b64 s PHE 76 N -4.82 3.75 -1.04 0.00 0.08 -0.55 -4.79 117.98 110.61 1b64 s PHE 76 Ca -0.05 -2.24 0.14 0.00 0.12 0.00 0.00 56.93 54.91 1b64 s PHE 76 Cb 0.25 -4.11 0.63 0.00 -0.57 0.00 0.00 43.02 39.22 1b64 s PHE 76 CO 0.85 -1.22 1.46 0.39 -0.10 0.00 0.00 175.22 176.59 1b64 n GLU 77 N 4.59 0.02 -0.18 0.44 -0.58 -1.02 0.52 120.64 124.43 1b64 n GLU 77 Ca 0.29 0.24 0.06 0.00 -0.42 0.00 0.00 57.16 57.33 1b64 n GLU 77 Cb 0.43 -1.50 0.16 0.00 -0.57 0.00 0.00 31.44 29.95 1b64 n GLU 77 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1b64 n ASP 78 N -1.48 1.89 0.00 1.62 -0.08 -1.26 -4.27 116.55 112.98 1b64 n ASP 78 Ca 0.04 -2.01 0.00 0.00 -1.51 0.00 0.00 54.79 51.31 1b64 n ASP 78 Cb 0.16 -0.24 0.00 0.00 2.34 0.00 0.00 41.12 43.38 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 0.52 -0.14 -2.87 -0.67 4.01 -0.53 -4.97 117.16 112.51 1b64 n TYR 79 Ca 0.12 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.45 1b64 n TYR 79 Cb 0.30 0.08 -0.04 0.00 -0.31 0.00 0.00 39.34 39.37 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 -1.15 4.92 0.00 -0.72 1.01 0.18 -1.34 120.40 123.31 1b64 s VAL 80 Ca 0.00 1.74 -0.01 0.00 0.00 0.00 0.00 61.98 63.71 1b64 s VAL 80 Cb 0.00 -4.18 -0.27 0.00 0.00 0.00 0.00 36.38 31.94 1b64 s VAL 80 CO 0.00 0.14 0.84 -0.61 0.00 0.00 0.00 175.10 175.48 1b64 h GLN 81 N 6.95 0.21 0.00 2.72 4.15 0.17 -3.42 115.11 125.89 1b64 h GLN 81 Ca -0.37 -0.36 0.00 0.00 0.77 0.00 0.00 58.65 58.69 1b64 h GLN 81 Cb 1.18 0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1b64 h GLN 81 CO 0.78 1.05 0.00 -1.13 -1.93 0.00 0.00 178.83 177.60 1b64 n SER 82 N -3.41 0.00 -4.81 -0.69 3.41 -1.23 -5.00 113.62 101.89 1b64 n SER 82 Ca -0.16 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.12 1b64 n SER 82 Cb 1.04 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.94 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 3.93 0.17 4.33 1.75 -1.26 -3.63 119.30 124.59 1b64 s MET 83 Ca 0.00 1.23 0.03 0.00 -1.25 0.00 0.00 55.69 55.70 1b64 s MET 83 Cb 0.00 -2.12 -0.01 0.00 2.84 0.00 0.00 34.83 35.54 1b64 s MET 83 CO 0.00 -0.30 0.17 -0.25 -0.65 0.00 0.00 175.02 173.99 1b64 n ASP 84 N -0.98 -0.46 -4.34 1.11 9.92 -1.11 -5.00 116.55 115.69 1b64 n ASP 84 Ca 0.08 -2.08 -0.32 0.00 -0.53 0.00 0.00 54.79 51.95 1b64 n ASP 84 Cb 0.53 0.98 -0.15 0.00 -0.64 0.00 0.00 41.12 41.84 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 -2.67 2.33 -0.02 2.53 1.01 -1.26 -2.61 120.40 119.71 1b64 s VAL 85 Ca 0.19 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.29 1b64 s VAL 85 Cb 0.01 -1.86 -0.16 0.00 0.00 0.00 0.00 36.38 34.37 1b64 s VAL 85 CO 0.13 0.58 0.21 0.00 0.00 0.00 0.00 175.10 176.02 1b64 n ALA 86 N 2.64 2.35 -3.63 5.51 0.00 0.43 -4.78 120.51 123.03 1b64 n ALA 86 Ca -0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 53.44 52.97 1b64 n ALA 86 Cb 0.52 -0.33 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.69 -2.12 -0.44 0.00 0.00 -1.16 -4.87 121.76 110.48 1b64 s ALA 87 Ca -0.04 1.77 0.06 0.00 0.00 0.00 0.00 51.96 53.76 1b64 s ALA 87 Cb 0.06 -1.49 0.18 0.00 0.00 0.00 0.00 23.12 21.87 1b64 s ALA 87 CO 0.42 -0.20 0.58 0.12 0.00 0.00 0.00 175.76 176.68 1b64 s PHE 88 N -0.54 -1.11 0.29 0.00 2.19 -1.26 -2.22 117.98 115.33 1b64 s PHE 88 Ca 0.06 -0.51 -0.08 0.00 0.33 0.00 0.00 56.93 56.74 1b64 s PHE 88 Cb -0.03 0.04 0.03 0.00 -1.31 0.00 0.00 43.02 41.76 1b64 s PHE 88 CO -0.09 -1.13 0.52 0.09 1.83 0.00 0.00 175.22 176.44 1b64 n ASN 89 N 3.73 -1.50 -4.76 6.13 3.02 -1.26 -5.08 115.26 115.53 1b64 n ASN 89 Ca 0.15 -2.32 -0.40 0.00 -0.03 0.00 0.00 54.58 51.99 1b64 n ASN 89 Cb 0.53 2.58 -0.04 0.00 -0.61 0.00 0.00 39.78 42.24 1b64 n ASN 89 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1b64 s LYS 90 N -2.28 4.56 0.00 3.52 0.00 -1.26 -3.65 119.74 120.64 1b64 s LYS 90 Ca 0.16 1.78 0.00 0.00 0.00 0.00 0.00 55.97 57.91 1b64 s LYS 90 Cb -0.03 -3.10 0.00 0.00 0.00 0.00 0.00 37.83 34.71 1b64 s LYS 90 CO 0.12 0.15 0.04 -0.89 0.00 0.00 0.00 175.35 174.77