#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f80 s GLN 2 N 0.00 2.83 -0.24 0.54 0.74 -1.26 -5.10 119.66 117.17 2f80 s GLN 2 Ca 0.00 -0.99 -0.05 0.00 0.05 0.00 0.00 55.36 54.37 2f80 s GLN 2 Cb 0.00 -3.04 -0.01 0.00 1.10 0.00 0.00 33.01 31.06 2f80 s GLN 2 CO 0.00 -0.42 -0.00 0.42 -0.55 0.00 0.00 175.29 174.74 2f80 s ILE 3 N 1.34 3.65 0.78 -2.34 1.01 -1.26 -5.10 121.20 119.28 2f80 s ILE 3 Ca -0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 2f80 s ILE 3 Cb -0.17 -2.71 0.08 0.00 0.01 0.00 0.00 42.46 39.68 2f80 s ILE 3 CO -0.03 0.36 1.13 0.42 0.00 0.00 0.00 174.94 176.81 2f80 s THR 4 N 1.51 2.10 -0.18 2.92 -4.23 -1.26 -5.03 115.64 111.46 2f80 s THR 4 Ca 0.05 -0.10 0.15 0.00 -1.18 0.00 0.00 61.69 60.61 2f80 s THR 4 Cb -0.15 -2.99 0.39 0.00 1.34 0.00 0.00 72.50 71.09 2f80 s THR 4 CO -0.01 0.00 1.25 0.18 -0.54 0.00 0.00 174.62 175.50 2f80 n LEU 5 N -3.20 2.91 0.19 4.79 4.77 -1.26 -4.58 117.00 120.62 2f80 n LEU 5 Ca 0.09 -3.42 0.04 0.00 -0.03 0.00 0.00 56.01 52.69 2f80 n LEU 5 Cb 0.61 -0.50 0.37 0.00 -2.33 0.00 0.00 43.42 41.56 2f80 n LEU 5 CO 0.54 0.99 0.71 -0.50 -1.33 0.00 0.00 177.39 177.80 2f80 h TRP 6 N 0.69 0.00 -2.19 -1.77 4.06 -2.06 -3.43 115.95 111.25 2f80 h TRP 6 Ca 0.03 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.41 2f80 h TRP 6 Cb 1.15 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.18 2f80 h TRP 6 CO 0.44 0.38 -0.68 -1.59 -3.56 0.00 0.00 178.44 173.43 2f80 s LYS 7 N -3.89 1.73 0.29 0.49 -2.85 -1.26 -5.11 119.74 109.14 2f80 s LYS 7 Ca -0.02 -1.89 -0.30 0.00 -1.00 0.00 0.00 55.97 52.77 2f80 s LYS 7 Cb 0.13 -1.51 -0.12 0.00 -2.06 0.00 0.00 37.83 34.27 2f80 s LYS 7 CO 0.70 0.10 1.62 1.03 0.10 0.00 0.00 175.35 178.90 2f80 s ARG 8 N -3.65 4.11 -1.31 1.78 0.52 -1.26 -4.86 118.95 114.27 2f80 s ARG 8 Ca 0.32 2.61 -0.17 0.00 -0.52 0.00 0.00 55.73 57.96 2f80 s ARG 8 Cb 0.03 -3.02 0.03 0.00 0.52 0.00 0.00 34.95 32.51 2f80 s ARG 8 CO 0.15 -0.66 1.97 -0.35 0.02 0.00 0.00 175.30 176.42 2f80 n PRO 9 N 2.27 2.79 -3.26 3.54 -0.04 -1.26 -4.94 135.00 134.10 2f80 n PRO 9 Ca 0.09 -2.83 -0.39 0.00 -0.04 0.00 0.00 63.50 60.33 2f80 n PRO 9 Cb 0.37 -3.39 -0.06 0.00 -0.04 0.00 0.00 33.50 30.38 2f80 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2f80 s LEU 10 N 3.74 4.42 0.18 1.53 1.43 -1.26 -1.30 118.68 127.41 2f80 s LEU 10 Ca 0.53 1.11 0.03 0.00 -1.03 0.00 0.00 54.13 54.77 2f80 s LEU 10 Cb 0.08 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 2f80 s LEU 10 CO 0.02 0.14 -0.04 0.68 0.23 0.00 0.00 176.35 177.38 2f80 s VAL 11 N -0.30 0.95 -0.01 -1.59 -7.23 0.11 -4.95 120.40 107.39 2f80 s VAL 11 Ca 0.29 -2.02 -0.26 0.00 -1.81 0.00 0.00 61.98 58.18 2f80 s VAL 11 Cb -0.18 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 2f80 s VAL 11 CO 0.16 -0.55 0.83 -0.89 -0.31 0.00 0.00 175.10 174.34 2f80 s THR 12 N -3.47 4.88 0.30 5.32 2.01 -1.26 -0.69 115.64 122.71 2f80 s THR 12 Ca 0.22 1.74 0.10 0.00 0.31 0.00 0.00 61.69 64.06 2f80 s THR 12 Cb 0.05 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 2f80 s THR 12 CO 0.04 0.25 -0.05 0.27 -0.69 0.00 0.00 174.62 174.43 2f80 s ILE 13 N 0.63 2.90 -0.07 1.82 -4.36 0.85 -1.40 121.20 121.56 2f80 s ILE 13 Ca 0.43 -2.07 -0.01 0.00 -0.26 0.00 0.00 60.65 58.74 2f80 s ILE 13 Cb -0.20 -2.68 0.03 0.00 1.25 0.00 0.00 42.46 40.86 2f80 s ILE 13 CO 0.23 -0.32 -0.01 -0.75 0.24 0.00 0.00 174.94 174.33 2f80 s LYS 14 N -3.64 0.68 -0.03 0.37 2.20 -0.20 -1.23 119.74 117.88 2f80 s LYS 14 Ca 0.32 0.07 -0.02 0.00 -0.36 0.00 0.00 55.97 55.98 2f80 s LYS 14 Cb -0.04 -0.99 0.02 0.00 -1.51 0.00 0.00 37.83 35.31 2f80 s LYS 14 CO 0.18 -0.28 0.08 -1.50 -0.36 0.00 0.00 175.35 173.48 2f80 s ILE 15 N 1.86 -0.02 -1.52 5.43 2.07 -0.53 -0.99 121.20 127.50 2f80 s ILE 15 Ca 0.03 0.07 -0.01 0.00 -1.41 0.00 0.00 60.65 59.34 2f80 s ILE 15 Cb -0.12 -0.13 0.00 0.00 0.13 0.00 0.00 42.46 42.33 2f80 s ILE 15 CO -0.05 0.03 0.05 0.61 -1.91 0.00 0.00 174.94 173.67 2f80 n GLY 16 N 3.44 -0.50 2.92 1.50 0.00 -1.26 -0.88 105.19 110.40 2f80 n GLY 16 Ca -0.17 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2f80 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f80 n GLY 17 N -0.98 0.96 3.49 -0.02 0.00 -1.26 -5.00 105.19 102.38 2f80 n GLY 17 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2f80 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f80 s GLN 18 N -0.00 2.59 0.09 1.61 -1.52 -0.06 -5.10 119.66 117.27 2f80 s GLN 18 Ca 0.00 -0.67 -0.24 0.00 -1.95 0.00 0.00 55.36 52.50 2f80 s GLN 18 Cb 0.00 -2.43 -0.07 0.00 -0.22 0.00 0.00 33.01 30.30 2f80 s GLN 18 CO 0.00 0.61 0.72 -0.51 -0.25 0.00 0.00 175.29 175.85 2f80 s LEU 19 N -0.68 4.51 0.16 2.90 1.43 -1.26 -1.45 118.68 124.30 2f80 s LEU 19 Ca 0.10 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 54.66 2f80 s LEU 19 Cb -0.11 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 2f80 s LEU 19 CO 0.01 0.14 0.05 -0.54 0.23 0.00 0.00 176.35 176.23 2f80 s LYS 20 N -0.63 1.05 -0.06 1.70 1.02 -0.36 -4.98 119.74 117.47 2f80 s LYS 20 Ca 0.35 -1.51 -0.04 0.00 0.02 0.00 0.00 55.97 54.79 2f80 s LYS 20 Cb -0.21 0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.09 2f80 s LYS 20 CO 0.23 -0.23 0.14 -2.00 -0.92 0.00 0.00 175.35 172.57 2f80 s GLU 21 N -4.01 3.35 0.05 1.68 2.56 -1.26 -0.11 118.70 120.97 2f80 s GLU 21 Ca 0.26 -0.28 -0.08 0.00 0.00 0.00 0.00 54.97 54.87 2f80 s GLU 21 Cb 0.07 -3.08 -0.00 0.00 2.00 0.00 0.00 34.13 33.12 2f80 s GLU 21 CO 0.04 0.71 0.17 0.00 -0.56 0.00 0.00 175.26 175.63 2f80 s ALA 22 N -1.17 -0.26 -0.24 6.30 0.00 0.13 -4.50 121.76 122.02 2f80 s ALA 22 Ca 0.21 -0.44 -0.14 0.00 0.00 0.00 0.00 51.96 51.59 2f80 s ALA 22 Cb -0.12 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 2f80 s ALA 22 CO 0.11 -0.40 0.33 -1.17 0.00 0.00 0.00 175.76 174.63 2f80 s LEU 23 N -2.33 4.09 -0.24 0.00 2.96 0.40 -0.71 118.68 122.86 2f80 s LEU 23 Ca -0.02 0.31 -0.29 0.00 -0.22 0.00 0.00 54.13 53.91 2f80 s LEU 23 Cb 0.01 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 2f80 s LEU 23 CO -0.06 -0.09 1.46 -0.76 -1.32 0.00 0.00 176.35 175.58 2f80 s LEU 24 N 1.59 3.94 -0.36 -0.68 1.43 -0.42 -0.81 118.68 123.37 2f80 s LEU 24 Ca 0.14 1.50 0.01 0.00 -1.03 0.00 0.00 54.13 54.75 2f80 s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 2f80 s LEU 24 CO 0.08 -1.12 0.13 -0.62 0.23 0.00 0.00 176.35 175.05 2f80 s ASP 25 N 3.41 4.15 0.26 2.29 -1.08 -0.15 -4.79 116.67 120.76 2f80 s ASP 25 Ca 0.64 -2.07 0.23 0.00 -0.52 0.00 0.00 52.55 50.83 2f80 s ASP 25 Cb -0.22 -1.14 0.99 0.00 -1.46 0.00 0.00 42.92 41.10 2f80 s ASP 25 CO 0.25 -0.36 1.70 0.35 0.52 0.00 0.00 175.17 177.63 2f80 n THR 26 N 4.31 0.85 1.72 1.71 -2.24 -1.26 -2.08 114.28 117.29 2f80 n THR 26 Ca 0.02 0.28 0.15 0.00 -2.27 0.00 0.00 64.05 62.23 2f80 n THR 26 Cb 0.40 -1.21 0.74 0.00 -2.10 0.00 0.00 70.33 68.15 2f80 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f80 n GLY 27 N -0.13 -0.62 3.47 3.38 0.00 -1.26 -4.80 105.19 105.23 2f80 n GLY 27 Ca 0.02 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 2f80 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f80 s ALA 28 N -2.07 3.12 0.20 4.61 0.00 -0.88 -5.00 121.76 121.73 2f80 s ALA 28 Ca 0.41 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.30 2f80 s ALA 28 Cb 0.21 -1.90 0.12 0.00 0.00 0.00 0.00 23.12 21.56 2f80 s ALA 28 CO 0.37 -0.23 1.62 -0.44 0.00 0.00 0.00 175.76 177.08 2f80 h ASP 29 N 7.66 0.91 -4.75 0.00 3.32 -1.87 0.27 116.42 121.97 2f80 h ASP 29 Ca -0.37 -0.31 -0.21 0.00 0.02 0.00 0.00 57.03 56.16 2f80 h ASP 29 Cb 1.18 -0.25 -0.16 0.00 0.22 0.00 0.00 39.33 40.32 2f80 h ASP 29 CO 0.61 1.06 -0.70 0.20 -1.72 0.00 0.00 179.24 178.69 2f80 s ASN 30 N -6.70 0.96 0.06 6.45 0.01 -1.26 -2.46 114.94 112.01 2f80 s ASN 30 Ca -0.10 -0.92 -0.30 0.00 -0.71 0.00 0.00 52.86 50.82 2f80 s ASN 30 Cb 0.13 0.10 -0.05 0.00 0.41 0.00 0.00 41.25 41.85 2f80 s ASN 30 CO 0.85 -0.45 1.06 -0.89 -1.51 0.00 0.00 177.10 176.17 2f80 s THR 31 N -3.28 4.40 -0.07 1.60 2.01 -1.26 -4.27 115.64 114.77 2f80 s THR 31 Ca 0.07 1.81 -0.00 0.00 0.31 0.00 0.00 61.69 63.88 2f80 s THR 31 Cb 0.03 -4.16 0.02 0.00 0.01 0.00 0.00 72.50 68.41 2f80 s THR 31 CO -0.05 0.19 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.34 2f80 s VAL 32 N 0.68 0.60 0.11 3.82 1.01 -0.35 -0.91 120.40 125.36 2f80 s VAL 32 Ca 0.53 -0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.54 2f80 s VAL 32 Cb -0.25 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2f80 s VAL 32 CO 0.30 0.27 -0.26 -0.63 0.00 0.00 0.00 175.10 174.78 2f80 s ILE 33 N 1.47 2.33 0.82 2.22 -1.09 0.61 -0.74 121.20 126.83 2f80 s ILE 33 Ca -0.02 -1.66 -0.12 0.00 -2.23 0.00 0.00 60.65 56.62 2f80 s ILE 33 Cb -0.13 -2.02 0.09 0.00 -1.58 0.00 0.00 42.46 38.82 2f80 s ILE 33 CO -0.03 0.14 1.16 -1.61 -1.23 0.00 0.00 174.94 173.36 2f80 s GLU 34 N -1.94 1.65 0.18 2.79 2.02 -1.26 -1.83 118.70 120.31 2f80 s GLU 34 Ca 0.14 1.55 -0.33 0.00 0.02 0.00 0.00 54.97 56.35 2f80 s GLU 34 Cb -0.10 -1.80 -0.15 0.00 0.10 0.00 0.00 34.13 32.18 2f80 s GLU 34 CO 0.06 -2.17 1.30 -1.91 0.02 0.00 0.00 175.26 172.56 2f80 n GLU 35 N -3.57 1.49 -3.69 1.61 4.07 -1.25 -4.71 120.64 114.59 2f80 n GLU 35 Ca 0.12 0.53 -0.04 0.00 -0.06 0.00 0.00 57.16 57.71 2f80 n GLU 35 Cb 0.52 -2.12 -0.01 0.00 -0.06 0.00 0.00 31.44 29.76 2f80 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2f80 s MET 36 N -0.13 1.06 -0.03 5.31 0.23 -1.26 -5.07 119.30 119.41 2f80 s MET 36 Ca 0.74 -0.55 -0.18 0.00 -1.03 0.00 0.00 55.69 54.67 2f80 s MET 36 Cb -0.80 0.38 -0.05 0.00 -1.53 0.00 0.00 34.83 32.83 2f80 s MET 36 CO 0.49 -0.48 0.49 -1.12 -2.03 0.00 0.00 175.02 172.37 2f80 s SER 37 N -2.84 6.83 0.07 -1.18 0.01 -1.26 -5.07 113.70 110.25 2f80 s SER 37 Ca 0.11 0.99 0.04 0.00 1.31 0.00 0.00 55.95 58.40 2f80 s SER 37 Cb -0.01 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 2f80 s SER 37 CO -0.01 0.16 -0.12 -0.76 0.41 0.00 0.00 173.24 172.92 2f80 s LEU 38 N -0.30 2.29 0.64 2.44 1.43 -1.26 -4.96 118.68 118.96 2f80 s LEU 38 Ca 0.26 -0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2f80 s LEU 38 Cb -0.17 -0.41 -0.02 0.00 0.03 0.00 0.00 46.19 45.62 2f80 s LEU 38 CO 0.14 -0.13 1.04 -2.16 0.23 0.00 0.00 176.35 175.47 2f80 s PRO 39 N -1.86 3.34 0.54 1.29 0.04 -1.26 -4.93 135.00 132.15 2f80 s PRO 39 Ca -0.03 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2f80 s PRO 39 Cb -0.09 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2f80 s PRO 39 CO 0.02 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.69 2f80 n GLY 40 N -2.22 -1.99 3.88 0.56 0.00 -1.26 -4.94 105.19 99.21 2f80 n GLY 40 Ca 0.07 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 2f80 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f80 s ARG 41 N -0.06 3.77 0.26 1.61 0.52 -1.26 -5.10 118.95 118.70 2f80 s ARG 41 Ca 0.00 0.40 0.10 0.00 -0.52 0.00 0.00 55.73 55.71 2f80 s ARG 41 Cb 0.00 -2.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.97 2f80 s ARG 41 CO 0.00 0.04 -0.16 1.67 0.02 0.00 0.00 175.30 176.87 2f80 s TRP 42 N -2.26 2.07 0.19 -0.53 1.48 -1.26 -4.63 118.94 114.00 2f80 s TRP 42 Ca 0.50 -0.46 0.10 0.00 -1.06 0.00 0.00 56.10 55.19 2f80 s TRP 42 Cb -0.10 -0.97 -0.04 0.00 -1.16 0.00 0.00 33.47 31.20 2f80 s TRP 42 CO 0.29 0.55 -0.22 0.15 -4.06 0.00 0.00 176.95 173.66 2f80 s LYS 43 N -3.58 1.43 0.39 3.25 1.02 -0.44 -4.91 119.74 116.90 2f80 s LYS 43 Ca 0.28 -1.49 -0.23 0.00 0.02 0.00 0.00 55.97 54.55 2f80 s LYS 43 Cb -0.02 -1.65 -0.11 0.00 -0.52 0.00 0.00 37.83 35.53 2f80 s LYS 43 CO 0.12 0.35 0.94 -1.25 -0.92 0.00 0.00 175.35 174.59 2f80 s PRO 44 N -2.73 4.35 -0.05 -1.68 0.04 -1.26 -0.63 135.00 133.03 2f80 s PRO 44 Ca 0.19 1.18 -0.18 0.00 0.04 0.00 0.00 61.00 62.22 2f80 s PRO 44 Cb -0.07 -2.42 0.04 0.00 0.04 0.00 0.00 34.50 32.09 2f80 s PRO 44 CO 0.09 0.09 0.41 0.21 0.04 0.00 0.00 177.00 177.84 2f80 s LYS 45 N -2.76 0.73 -0.12 4.56 2.20 -1.16 -4.86 119.74 118.34 2f80 s LYS 45 Ca 0.57 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 2f80 s LYS 45 Cb -0.13 0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 36.51 2f80 s LYS 45 CO 0.17 -0.19 -0.12 1.41 -0.36 0.00 0.00 175.35 176.26 2f80 s MET 46 N -1.05 3.23 0.10 4.03 -2.45 -1.26 -1.24 119.30 120.66 2f80 s MET 46 Ca -0.11 -0.66 0.07 0.00 -1.25 0.00 0.00 55.69 53.74 2f80 s MET 46 Cb -0.04 -2.62 -0.03 0.00 1.25 0.00 0.00 34.83 33.39 2f80 s MET 46 CO 0.05 0.32 -0.17 0.96 1.05 0.00 0.00 175.02 177.22 2f80 s ILE 47 N 0.09 1.44 -0.18 10.11 -4.36 -0.20 -4.97 121.20 123.13 2f80 s ILE 47 Ca -0.05 -1.49 0.01 0.00 -0.26 0.00 0.00 60.65 58.86 2f80 s ILE 47 Cb -0.14 -1.38 0.02 0.00 1.25 0.00 0.00 42.46 42.21 2f80 s ILE 47 CO 0.04 -0.18 -0.20 -0.83 0.24 0.00 0.00 174.94 174.02 2f80 s GLY 48 N -1.94 1.39 0.00 6.27 0.00 -1.26 -0.80 107.32 110.98 2f80 s GLY 48 Ca 0.04 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2f80 s GLY 48 CO 0.03 0.26 0.00 0.61 0.00 0.00 0.00 173.10 174.01 2f80 n GLY 49 N 4.59 5.90 3.73 0.20 0.00 -0.28 -4.98 105.19 114.34 2f80 n GLY 49 Ca -0.21 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 2f80 n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2f80 s ILE 50 N 1.11 4.26 0.00 -0.61 2.07 -1.26 -2.66 121.20 124.12 2f80 s ILE 50 Ca 0.00 1.87 0.00 0.00 -1.41 0.00 0.00 60.65 61.11 2f80 s ILE 50 Cb 0.00 -4.20 0.00 0.00 0.13 0.00 0.00 42.46 38.39 2f80 s ILE 50 CO 0.00 0.28 0.00 0.61 -1.91 0.00 0.00 174.94 173.92 2f80 n GLY 51 N 2.27 2.50 0.00 1.50 0.00 -1.26 -4.98 105.19 105.21 2f80 n GLY 51 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2f80 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f80 n GLY 52 N 0.00 0.88 3.91 -0.02 0.00 -1.09 -5.09 105.19 103.78 2f80 n GLY 52 Ca 0.00 -2.02 -0.32 0.00 0.00 0.00 0.00 46.02 43.68 2f80 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f80 s PHE 53 N -1.32 3.52 0.08 1.61 0.40 -1.26 -1.13 117.98 119.88 2f80 s PHE 53 Ca 0.00 0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.77 2f80 s PHE 53 Cb 0.00 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.63 2f80 s PHE 53 CO 0.00 0.55 -0.12 0.96 0.70 0.00 0.00 175.22 177.31 2f80 s ILE 54 N -1.51 1.02 0.11 0.64 -4.36 0.02 -4.97 121.20 112.15 2f80 s ILE 54 Ca 0.35 -1.44 -0.24 0.00 -0.26 0.00 0.00 60.65 59.06 2f80 s ILE 54 Cb -0.13 -1.17 -0.07 0.00 1.25 0.00 0.00 42.46 42.35 2f80 s ILE 54 CO 0.24 -0.37 0.74 -0.54 0.24 0.00 0.00 174.94 175.26 2f80 s LYS 55 N -2.17 4.49 0.18 0.37 1.02 -1.26 -1.03 119.74 121.34 2f80 s LYS 55 Ca 0.01 1.06 0.01 0.00 0.02 0.00 0.00 55.97 57.07 2f80 s LYS 55 Cb -0.07 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 2f80 s LYS 55 CO 0.01 0.47 0.04 0.14 -0.92 0.00 0.00 175.35 175.10 2f80 s VAL 56 N -0.72 0.47 -0.23 3.17 -7.23 -0.37 -4.65 120.40 110.84 2f80 s VAL 56 Ca 0.36 -1.97 -0.10 0.00 -1.81 0.00 0.00 61.98 58.46 2f80 s VAL 56 Cb -0.22 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 2f80 s VAL 56 CO 0.24 -0.36 0.13 -0.13 -0.31 0.00 0.00 175.10 174.67 2f80 s ARG 57 N -3.98 4.02 -0.28 4.82 0.52 -0.00 -2.97 118.95 121.08 2f80 s ARG 57 Ca 0.27 -0.30 -0.11 0.00 -0.52 0.00 0.00 55.73 55.08 2f80 s ARG 57 Cb 0.07 -3.46 -0.05 0.00 0.52 0.00 0.00 34.95 32.03 2f80 s ARG 57 CO 0.06 0.09 0.18 -1.14 0.02 0.00 0.00 175.30 174.50 2f80 s GLN 58 N 0.95 3.89 -0.15 3.54 0.74 0.19 -0.51 119.66 128.31 2f80 s GLN 58 Ca 0.07 -0.36 -0.02 0.00 0.05 0.00 0.00 55.36 55.10 2f80 s GLN 58 Cb -0.13 -3.63 -0.02 0.00 1.10 0.00 0.00 33.01 30.33 2f80 s GLN 58 CO 0.03 -0.19 -0.07 0.71 -0.55 0.00 0.00 175.29 175.22 2f80 s TYR 59 N 1.74 2.94 0.18 1.67 1.51 -0.56 -1.33 117.35 123.50 2f80 s TYR 59 Ca 0.07 -0.49 0.04 0.00 -1.01 0.00 0.00 57.07 55.68 2f80 s TYR 59 Cb -0.16 -1.93 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 2f80 s TYR 59 CO 0.10 -0.15 0.28 -0.51 -1.11 0.00 0.00 175.55 174.16 2f80 s ASP 60 N 0.48 6.20 -1.39 2.29 1.01 -1.26 -0.94 116.67 123.05 2f80 s ASP 60 Ca -0.06 0.09 -0.07 0.00 0.71 0.00 0.00 52.55 53.22 2f80 s ASP 60 Cb -0.15 -1.82 0.03 0.00 1.01 0.00 0.00 42.92 42.00 2f80 s ASP 60 CO 0.03 0.02 0.97 0.00 0.21 0.00 0.00 175.17 176.41 2f80 n GLN 61 N -0.75 -6.16 -3.18 8.23 6.02 -1.09 -4.89 117.38 115.55 2f80 n GLN 61 Ca -0.08 0.69 -0.39 0.00 -0.01 0.00 0.00 57.00 57.22 2f80 n GLN 61 Cb 0.55 -5.57 -0.05 0.00 1.02 0.00 0.00 30.24 26.19 2f80 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2f80 s ILE 62 N -3.40 4.97 -0.10 5.09 -1.09 -0.05 -4.65 121.20 121.97 2f80 s ILE 62 Ca 0.40 1.25 -0.28 0.00 -2.23 0.00 0.00 60.65 59.80 2f80 s ILE 62 Cb -0.19 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 36.73 2f80 s ILE 62 CO 0.79 0.37 0.91 -0.63 -1.23 0.00 0.00 174.94 175.15 2f80 s ILE 63 N 0.13 4.86 -0.07 2.92 1.01 -1.26 -1.37 121.20 127.41 2f80 s ILE 63 Ca 0.32 1.85 -0.03 0.00 0.00 0.00 0.00 60.65 62.79 2f80 s ILE 63 Cb -0.18 -4.23 0.04 0.00 0.01 0.00 0.00 42.46 38.10 2f80 s ILE 63 CO 0.17 0.07 0.16 -0.51 0.00 0.00 0.00 174.94 174.83 2f80 s ILE 64 N 1.74 -0.05 -0.05 2.92 2.07 -0.52 -4.51 121.20 122.81 2f80 s ILE 64 Ca 0.45 0.17 -0.18 0.00 -1.41 0.00 0.00 60.65 59.68 2f80 s ILE 64 Cb -0.18 -0.27 -0.05 0.00 0.13 0.00 0.00 42.46 42.09 2f80 s ILE 64 CO 0.18 0.07 0.48 -0.70 -1.91 0.00 0.00 174.94 173.06 2f80 s GLU 65 N 1.18 4.21 -0.20 3.50 2.56 -0.16 -1.06 118.70 128.73 2f80 s GLU 65 Ca -0.09 0.50 -0.01 0.00 0.00 0.00 0.00 54.97 55.37 2f80 s GLU 65 Cb -0.11 -3.34 0.05 0.00 2.00 0.00 0.00 34.13 32.73 2f80 s GLU 65 CO -0.06 0.39 -0.02 0.42 -0.56 0.00 0.00 175.26 175.43 2f80 s ILE 66 N -0.15 1.00 -1.57 -3.70 1.01 0.14 -1.04 121.20 116.90 2f80 s ILE 66 Ca 0.26 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.99 2f80 s ILE 66 Cb -0.16 -1.34 0.10 0.00 0.01 0.00 0.00 42.46 41.07 2f80 s ILE 66 CO 0.13 -0.08 0.90 0.00 0.00 0.00 0.00 174.94 175.88 2f80 n ALA 67 N 4.88 -1.34 -0.99 9.38 0.00 -0.50 -0.66 120.51 131.29 2f80 n ALA 67 Ca -0.11 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2f80 n ALA 67 Cb 0.46 -3.99 0.00 0.00 0.00 0.00 0.00 19.45 15.93 2f80 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f80 n GLY 68 N -1.62 0.71 3.65 0.00 0.00 -1.26 -5.02 105.19 101.65 2f80 n GLY 68 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2f80 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2f80 s HIS 69 N -2.84 3.19 0.09 1.61 4.02 0.17 -5.10 115.29 116.44 2f80 s HIS 69 Ca 0.00 0.08 -0.28 0.00 1.02 0.00 0.00 55.06 55.89 2f80 s HIS 69 Cb 0.00 -1.92 -0.06 0.00 -1.02 0.00 0.00 32.58 29.58 2f80 s HIS 69 CO 0.00 0.29 0.88 0.21 1.02 0.00 0.00 174.74 177.14 2f80 s LYS 70 N -0.26 4.62 0.13 1.40 2.47 -1.26 -0.68 119.74 126.15 2f80 s LYS 70 Ca 0.07 1.29 0.06 0.00 -1.56 0.00 0.00 55.97 55.83 2f80 s LYS 70 Cb -0.12 -3.36 -0.04 0.00 -1.46 0.00 0.00 37.83 32.84 2f80 s LYS 70 CO 0.02 0.26 -0.15 0.00 0.16 0.00 0.00 175.35 175.64 2f80 s ALA 71 N -0.10 1.62 -0.15 3.13 0.00 -0.22 -4.81 121.76 121.23 2f80 s ALA 71 Ca 0.43 -1.35 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 2f80 s ALA 71 Cb -0.22 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 22.87 2f80 s ALA 71 CO 0.27 0.12 0.14 0.42 0.00 0.00 0.00 175.76 176.71 2f80 s ILE 72 N -2.19 -0.19 0.00 0.00 1.01 -1.26 -1.44 121.20 117.13 2f80 s ILE 72 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.77 2f80 s ILE 72 Cb -0.05 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.92 2f80 s ILE 72 CO 0.04 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.46 2f80 n GLY 73 N 5.30 1.12 3.70 6.18 0.00 -0.47 -4.79 105.19 116.24 2f80 n GLY 73 Ca -0.06 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2f80 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f80 s THR 74 N -2.21 4.63 -0.13 2.61 2.01 -1.26 -0.87 115.64 120.43 2f80 s THR 74 Ca 0.00 1.90 0.02 0.00 0.31 0.00 0.00 61.69 63.91 2f80 s THR 74 Cb 0.00 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.31 2f80 s THR 74 CO 0.00 0.11 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.18 2f80 s VAL 75 N 1.29 1.70 -0.01 3.82 1.01 -0.12 -4.50 120.40 123.59 2f80 s VAL 75 Ca 0.53 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.59 2f80 s VAL 75 Cb -0.23 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 2f80 s VAL 75 CO 0.26 0.48 0.45 -0.76 0.00 0.00 0.00 175.10 175.53 2f80 s LEU 76 N 1.03 4.44 -0.13 3.92 1.43 -0.08 -1.50 118.68 127.78 2f80 s LEU 76 Ca -0.04 0.98 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 2f80 s LEU 76 Cb -0.15 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.41 2f80 s LEU 76 CO -0.04 0.24 -0.20 -0.69 0.23 0.00 0.00 176.35 175.90 2f80 s VAL 77 N -0.69 2.31 -0.01 -1.59 1.01 0.33 -0.29 120.40 121.47 2f80 s VAL 77 Ca 0.25 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 2f80 s VAL 77 Cb -0.17 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.29 2f80 s VAL 77 CO 0.14 0.54 0.14 0.61 0.00 0.00 0.00 175.10 176.52 2f80 n GLY 78 N 3.88 0.42 2.38 4.51 0.00 -0.76 -0.82 105.19 114.78 2f80 n GLY 78 Ca -0.19 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 2f80 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f80 n PRO 79 N -0.10 3.61 -2.84 1.61 -0.04 -1.26 -3.89 135.00 132.09 2f80 n PRO 79 Ca 0.01 -2.29 -0.36 0.00 -0.04 0.00 0.00 63.50 60.82 2f80 n PRO 79 Cb 0.06 -2.87 -0.07 0.00 -0.04 0.00 0.00 33.50 30.59 2f80 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2f80 s THR 80 N 2.23 4.31 0.20 0.52 -1.32 -1.26 -4.97 115.64 115.35 2f80 s THR 80 Ca 0.66 1.66 0.27 0.00 -1.21 0.00 0.00 61.69 63.07 2f80 s THR 80 Cb 0.17 -3.89 0.28 0.00 -1.51 0.00 0.00 72.50 67.55 2f80 s THR 80 CO -0.06 0.03 1.91 -0.65 -2.21 0.00 0.00 174.62 173.64 2f80 h PRO 81 N 2.88 0.00 -3.51 7.08 0.11 -1.98 -3.44 132.00 133.14 2f80 h PRO 81 Ca -0.47 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 2f80 h PRO 81 Cb 1.19 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.10 2f80 h PRO 81 CO 0.64 0.16 -0.47 0.14 -0.21 0.00 0.00 178.00 178.27 2f80 s VAL 82 N -3.78 0.09 0.06 3.15 -7.23 -1.26 -5.10 120.40 106.33 2f80 s VAL 82 Ca -0.00 -0.74 -0.31 0.00 -1.81 0.00 0.00 61.98 59.12 2f80 s VAL 82 Cb 0.11 -0.55 -0.07 0.00 0.56 0.00 0.00 36.38 36.43 2f80 s VAL 82 CO 0.61 -0.41 1.47 0.20 -0.31 0.00 0.00 175.10 176.66 2f80 s ASN 83 N -1.54 6.76 -0.08 4.85 0.01 -1.26 -4.77 114.94 118.91 2f80 s ASN 83 Ca -0.13 2.30 0.03 0.00 -0.71 0.00 0.00 52.86 54.35 2f80 s ASN 83 Cb -0.06 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.04 2f80 s ASN 83 CO 0.01 -0.75 -0.17 0.27 -1.51 0.00 0.00 177.10 174.94 2f80 s ILE 84 N 2.05 1.52 -0.35 0.60 -4.36 0.08 -0.45 121.20 120.29 2f80 s ILE 84 Ca 0.67 -0.70 -0.15 0.00 -0.26 0.00 0.00 60.65 60.21 2f80 s ILE 84 Cb -0.36 -1.35 -0.01 0.00 1.25 0.00 0.00 42.46 41.99 2f80 s ILE 84 CO 0.29 0.44 0.33 -0.63 0.24 0.00 0.00 174.94 175.61 2f80 s ILE 85 N 0.53 5.20 0.63 8.37 -1.09 0.01 -1.21 121.20 133.64 2f80 s ILE 85 Ca -0.16 -0.11 0.07 0.00 -2.23 0.00 0.00 60.65 58.21 2f80 s ILE 85 Cb -0.17 -3.82 0.11 0.00 -1.58 0.00 0.00 42.46 37.01 2f80 s ILE 85 CO 0.06 -0.11 0.86 0.61 -1.23 0.00 0.00 174.94 175.13 2f80 n GLY 86 N 5.03 1.58 0.27 6.18 0.00 -1.26 -0.97 105.19 116.01 2f80 n GLY 86 Ca -0.10 -2.17 0.09 0.00 0.00 0.00 0.00 46.02 43.84 2f80 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2f80 h ARG 87 N 0.00 0.00 -0.48 1.61 3.08 -0.87 0.06 114.38 117.77 2f80 h ARG 87 Ca -0.29 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.81 2f80 h ARG 87 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 2f80 h ARG 87 CO 0.38 0.00 0.32 -2.95 -1.07 0.00 0.00 179.97 176.65 2f80 h ASN 88 N 0.00 0.41 0.00 7.04 -1.07 -1.75 -1.08 115.58 119.13 2f80 h ASN 88 Ca 0.02 -0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.25 2f80 h ASN 88 Cb 0.07 -0.09 -0.03 0.00 -2.07 0.00 0.00 38.32 36.21 2f80 h ASN 88 CO -0.00 0.27 -2.02 0.18 0.07 0.00 0.00 177.43 175.93 2f80 n LEU 89 N -4.48 0.00 -0.11 6.14 4.77 -0.45 -4.16 117.00 118.72 2f80 n LEU 89 Ca 0.06 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.05 2f80 n LEU 89 Cb 0.20 0.18 0.30 0.00 -2.33 0.00 0.00 43.42 41.78 2f80 n LEU 89 CO 0.35 0.18 1.15 -0.07 -1.33 0.00 0.00 177.39 177.66 2f80 h LEU 90 N 0.00 0.68 -1.33 2.23 3.38 -0.77 -1.95 115.31 117.56 2f80 h LEU 90 Ca -0.20 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 2f80 h LEU 90 Cb 1.38 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2f80 h LEU 90 CO 0.01 0.54 -0.21 0.71 0.09 0.00 0.00 178.44 179.59 2f80 h THR 91 N 0.78 1.21 0.00 0.22 1.35 -1.38 -1.55 112.91 113.53 2f80 h THR 91 Ca 0.20 -0.95 -0.08 0.00 -0.55 0.00 0.00 66.41 65.03 2f80 h THR 91 Cb 0.00 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 67.76 2f80 h THR 91 CO -0.03 0.29 -0.40 1.56 -0.25 0.00 0.00 175.52 176.68 2f80 h GLN 92 N 0.18 0.00 -0.28 4.72 4.20 -1.53 -2.76 115.11 119.65 2f80 h GLN 92 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2f80 h GLN 92 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2f80 h GLN 92 CO 0.03 0.40 0.00 0.44 -0.67 0.00 0.00 178.83 179.03 2f80 n ILE 93 N -3.75 0.35 -1.88 2.54 -5.35 -1.00 -4.93 119.36 105.35 2f80 n ILE 93 Ca -0.01 -0.59 -0.02 0.00 -0.27 0.00 0.00 62.75 61.86 2f80 n ILE 93 Cb 0.48 0.84 -0.00 0.00 -1.74 0.00 0.00 39.64 39.22 2f80 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f80 n GLY 94 N 1.37 0.33 3.77 3.28 0.00 -1.04 -5.03 105.19 107.88 2f80 n GLY 94 Ca 0.18 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 2f80 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f80 s ALA 95 N -2.08 3.34 0.12 4.61 0.00 -0.61 -5.03 121.76 122.11 2f80 s ALA 95 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.50 2f80 s ALA 95 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 2f80 s ALA 95 CO 0.00 0.23 -0.11 0.95 0.00 0.00 0.00 175.76 176.83 2f80 s THR 96 N -1.31 1.13 -0.08 0.00 -4.23 -1.26 -4.71 115.64 105.18 2f80 s THR 96 Ca 0.42 -1.83 -0.15 0.00 -1.18 0.00 0.00 61.69 58.95 2f80 s THR 96 Cb -0.23 -1.60 -0.05 0.00 1.34 0.00 0.00 72.50 71.96 2f80 s THR 96 CO 0.28 -0.60 0.39 -0.22 -0.54 0.00 0.00 174.62 173.93 2f80 s LEU 97 N -2.74 4.35 -0.02 4.79 2.96 -1.26 -5.10 118.68 121.66 2f80 s LEU 97 Ca 0.11 0.79 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 2f80 s LEU 97 Cb -0.01 -2.55 -0.00 0.00 0.50 0.00 0.00 46.19 44.13 2f80 s LEU 97 CO 0.01 0.17 -0.11 0.20 -1.32 0.00 0.00 176.35 175.30 2f80 s ASN 98 N -0.14 1.40 0.00 3.68 0.01 -1.26 -5.29 114.94 113.33 2f80 s ASN 98 Ca 0.22 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 2f80 s ASN 98 Cb -0.15 -0.32 0.00 0.00 0.41 0.00 0.00 41.25 41.19 2f80 s ASN 98 CO 0.10 0.10 0.00 2.22 -1.51 0.00 0.00 177.10 178.01