#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sp5 s GLN 2 N 0.00 3.14 -0.23 0.54 0.74 -1.26 -5.10 119.66 117.49 1sp5 s GLN 2 Ca 0.00 -0.77 -0.07 0.00 0.05 0.00 0.00 55.36 54.57 1sp5 s GLN 2 Cb 0.00 -2.94 -0.03 0.00 1.10 0.00 0.00 33.01 31.14 1sp5 s GLN 2 CO 0.00 -0.27 0.05 0.42 -0.55 0.00 0.00 175.29 174.94 1sp5 s ILE 3 N 1.40 4.24 0.61 -2.34 1.01 -1.26 -5.09 121.20 119.77 1sp5 s ILE 3 Ca 0.04 -0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.32 1sp5 s ILE 3 Cb -0.15 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 1sp5 s ILE 3 CO -0.05 0.38 1.11 0.28 0.00 0.00 0.00 174.94 176.66 1sp5 s THR 4 N 1.33 3.25 -0.78 2.92 -1.32 -1.26 -4.99 115.64 114.80 1sp5 s THR 4 Ca 0.05 0.65 0.14 0.00 -1.21 0.00 0.00 61.69 61.32 1sp5 s THR 4 Cb -0.15 -3.19 0.46 0.00 -1.51 0.00 0.00 72.50 68.12 1sp5 s THR 4 CO 0.03 -0.29 1.39 0.18 -2.21 0.00 0.00 174.62 173.71 1sp5 n LEU 5 N -1.97 3.60 -0.00 9.08 4.77 -1.26 -4.44 117.00 126.78 1sp5 n LEU 5 Ca 0.11 -2.39 0.03 0.00 -0.03 0.00 0.00 56.01 53.73 1sp5 n LEU 5 Cb 0.52 -0.40 0.39 0.00 -2.33 0.00 0.00 43.42 41.59 1sp5 n LEU 5 CO 0.46 0.74 1.10 -0.50 -1.33 0.00 0.00 177.39 177.86 1sp5 h TRP 6 N 2.43 0.53 -1.99 -1.77 4.06 -2.06 -3.43 115.95 113.73 1sp5 h TRP 6 Ca 0.00 -0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.35 1sp5 h TRP 6 Cb 1.09 -0.17 -0.13 0.00 -1.00 0.00 0.00 29.16 28.94 1sp5 h TRP 6 CO 0.42 0.39 -0.64 -0.65 -3.56 0.00 0.00 178.44 174.40 1sp5 s GLN 7 N -5.36 1.83 0.30 0.49 1.11 -1.26 -5.10 119.66 111.66 1sp5 s GLN 7 Ca -0.08 -1.99 -0.30 0.00 0.01 0.00 0.00 55.36 53.00 1sp5 s GLN 7 Cb 0.17 -1.53 -0.11 0.00 -1.01 0.00 0.00 33.01 30.52 1sp5 s GLN 7 CO 0.74 0.02 1.60 1.03 0.01 0.00 0.00 175.29 178.69 1sp5 s ARG 8 N -3.69 4.11 -1.38 2.91 0.52 -1.26 -4.86 118.95 115.30 1sp5 s ARG 8 Ca 0.34 2.59 -0.16 0.00 -0.52 0.00 0.00 55.73 57.98 1sp5 s ARG 8 Cb 0.06 -3.02 0.04 0.00 0.52 0.00 0.00 34.95 32.56 1sp5 s ARG 8 CO 0.17 -0.64 2.04 -0.35 0.02 0.00 0.00 175.30 176.54 1sp5 n PRO 9 N 2.12 2.92 -3.29 3.54 -0.04 -1.26 -4.94 135.00 134.05 1sp5 n PRO 9 Ca 0.08 -2.82 -0.38 0.00 -0.04 0.00 0.00 63.50 60.34 1sp5 n PRO 9 Cb 0.37 -3.36 -0.06 0.00 -0.04 0.00 0.00 33.50 30.41 1sp5 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sp5 s LEU 10 N 3.03 4.30 0.25 1.53 1.43 -1.26 -1.35 118.68 126.62 1sp5 s LEU 10 Ca 0.50 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.51 1sp5 s LEU 10 Cb 0.10 -2.75 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 1sp5 s LEU 10 CO -0.02 0.02 0.07 0.68 0.23 0.00 0.00 176.35 177.33 1sp5 s VAL 11 N 0.47 0.69 -0.05 -1.59 -7.23 0.38 -4.93 120.40 108.14 1sp5 s VAL 11 Ca 0.28 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.30 1sp5 s VAL 11 Cb -0.16 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 1sp5 s VAL 11 CO 0.12 -0.08 0.38 -0.89 -0.31 0.00 0.00 175.10 174.31 1sp5 s THR 12 N -3.66 5.13 0.26 5.32 2.01 -1.26 -0.82 115.64 122.62 1sp5 s THR 12 Ca 0.35 0.76 0.06 0.00 0.31 0.00 0.00 61.69 63.18 1sp5 s THR 12 Cb 0.08 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.84 1sp5 s THR 12 CO 0.12 0.52 -0.06 0.27 -0.69 0.00 0.00 174.62 174.78 1sp5 s ILE 13 N -0.61 1.58 -0.06 1.82 -4.36 -0.00 -2.00 121.20 117.56 1sp5 s ILE 13 Ca 0.22 -2.12 0.02 0.00 -0.26 0.00 0.00 60.65 58.51 1sp5 s ILE 13 Cb -0.16 -2.38 0.01 0.00 1.25 0.00 0.00 42.46 41.19 1sp5 s ILE 13 CO 0.11 -0.34 -0.11 -0.75 0.24 0.00 0.00 174.94 174.08 1sp5 s LYS 14 N -3.73 1.61 -0.11 0.37 2.20 0.40 -1.30 119.74 119.18 1sp5 s LYS 14 Ca 0.28 -0.38 -0.05 0.00 -0.36 0.00 0.00 55.97 55.46 1sp5 s LYS 14 Cb 0.03 -1.36 0.05 0.00 -1.51 0.00 0.00 37.83 35.05 1sp5 s LYS 14 CO 0.11 0.01 0.25 -1.50 -0.36 0.00 0.00 175.35 173.85 1sp5 s ILE 15 N 0.73 -0.12 -1.65 5.43 2.07 -0.23 -0.95 121.20 126.48 1sp5 s ILE 15 Ca -0.14 0.18 -0.02 0.00 -1.41 0.00 0.00 60.65 59.26 1sp5 s ILE 15 Cb -0.16 -0.40 0.00 0.00 0.13 0.00 0.00 42.46 42.04 1sp5 s ILE 15 CO 0.03 0.07 0.22 0.61 -1.91 0.00 0.00 174.94 173.96 1sp5 n GLY 16 N 4.48 -0.51 2.30 1.50 0.00 -1.26 -1.52 105.19 110.19 1sp5 n GLY 16 Ca -0.21 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1sp5 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sp5 n GLY 17 N -1.18 2.36 3.74 -0.02 0.00 -1.26 -5.01 105.19 103.82 1sp5 n GLY 17 Ca -0.19 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1sp5 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sp5 s GLN 18 N 0.00 4.35 -0.08 1.61 -0.21 -0.57 -5.04 119.66 119.72 1sp5 s GLN 18 Ca 0.00 2.11 -0.15 0.00 0.02 0.00 0.00 55.36 57.34 1sp5 s GLN 18 Cb 0.00 -3.18 -0.05 0.00 1.00 0.00 0.00 33.01 30.78 1sp5 s GLN 18 CO 0.00 -0.31 0.38 -0.51 -2.12 0.00 0.00 175.29 172.73 1sp5 s LEU 19 N -0.05 4.36 0.12 2.90 1.43 -1.26 -1.07 118.68 125.10 1sp5 s LEU 19 Ca 0.58 0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 54.44 1sp5 s LEU 19 Cb -0.38 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 1sp5 s LEU 19 CO 0.38 0.19 0.04 -0.54 0.23 0.00 0.00 176.35 176.65 1sp5 s LYS 20 N -0.21 0.90 -0.15 1.70 1.02 -0.42 -4.99 119.74 117.58 1sp5 s LYS 20 Ca 0.22 -1.42 -0.07 0.00 0.02 0.00 0.00 55.97 54.72 1sp5 s LYS 20 Cb -0.15 0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 37.32 1sp5 s LYS 20 CO 0.09 -0.23 0.10 -2.00 -0.92 0.00 0.00 175.35 172.40 1sp5 s GLU 21 N -4.02 3.75 0.04 1.68 2.12 -1.26 -0.82 118.70 120.18 1sp5 s GLU 21 Ca 0.22 -0.23 -0.04 0.00 0.36 0.00 0.00 54.97 55.28 1sp5 s GLU 21 Cb 0.07 -3.22 -0.02 0.00 0.26 0.00 0.00 34.13 31.22 1sp5 s GLU 21 CO 0.00 0.51 0.05 0.00 -0.54 0.00 0.00 175.26 175.28 1sp5 s ALA 22 N -0.27 0.08 -0.25 6.30 0.00 -0.00 -4.43 121.76 123.19 1sp5 s ALA 22 Ca 0.10 -0.69 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 1sp5 s ALA 22 Cb -0.12 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1sp5 s ALA 22 CO 0.01 -0.30 0.31 -1.17 0.00 0.00 0.00 175.76 174.61 1sp5 s LEU 23 N -2.17 4.08 -0.37 0.00 2.96 -0.24 -0.47 118.68 122.47 1sp5 s LEU 23 Ca -0.04 0.27 -0.29 0.00 -0.22 0.00 0.00 54.13 53.84 1sp5 s LEU 23 Cb -0.01 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.35 1sp5 s LEU 23 CO -0.05 -0.09 1.31 -0.76 -1.32 0.00 0.00 176.35 175.44 1sp5 s LEU 24 N 1.62 3.73 -0.36 -0.68 1.43 -0.45 -0.88 118.68 123.09 1sp5 s LEU 24 Ca 0.13 0.94 0.04 0.00 -1.03 0.00 0.00 54.13 54.21 1sp5 s LEU 24 Cb -0.15 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.63 1sp5 s LEU 24 CO 0.08 -1.24 0.08 -0.62 0.23 0.00 0.00 176.35 174.89 1sp5 s ASP 25 N 3.14 4.65 0.13 2.29 -1.08 -0.28 -4.76 116.67 120.74 1sp5 s ASP 25 Ca 0.56 -2.24 0.18 0.00 -0.52 0.00 0.00 52.55 50.53 1sp5 s ASP 25 Cb -0.14 -1.57 0.77 0.00 -1.46 0.00 0.00 42.92 40.52 1sp5 s ASP 25 CO 0.28 -0.36 1.56 0.35 0.52 0.00 0.00 175.17 177.52 1sp5 n THR 26 N 4.13 0.97 1.18 1.71 -2.24 -1.26 -2.27 114.28 116.50 1sp5 n THR 26 Ca 0.04 0.27 0.14 0.00 -2.27 0.00 0.00 64.05 62.22 1sp5 n THR 26 Cb 0.41 -1.12 0.53 0.00 -2.10 0.00 0.00 70.33 68.05 1sp5 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sp5 n GLY 27 N -0.11 -1.21 3.65 3.38 0.00 -1.26 -4.82 105.19 104.82 1sp5 n GLY 27 Ca 0.03 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1sp5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sp5 s ALA 28 N -2.77 3.54 0.15 4.61 0.00 -0.96 -4.99 121.76 121.34 1sp5 s ALA 28 Ca 0.20 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 51.19 1sp5 s ALA 28 Cb 0.19 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 21.13 1sp5 s ALA 28 CO 0.55 -0.10 1.59 -0.44 0.00 0.00 0.00 175.76 177.36 1sp5 h ASP 29 N 7.30 0.89 -2.01 0.00 3.32 -1.87 0.46 116.42 124.50 1sp5 h ASP 29 Ca -0.38 -0.33 -0.61 0.00 0.02 0.00 0.00 57.03 55.73 1sp5 h ASP 29 Cb 1.17 -0.24 -0.13 0.00 0.22 0.00 0.00 39.33 40.34 1sp5 h ASP 29 CO 0.67 1.00 -0.66 -1.81 -1.72 0.00 0.00 179.24 176.72 1sp5 s ASP 30 N -6.44 3.64 -0.04 6.45 1.01 -1.26 -2.33 116.67 117.70 1sp5 s ASP 30 Ca -0.12 -1.23 -0.24 0.00 0.71 0.00 0.00 52.55 51.66 1sp5 s ASP 30 Cb 0.12 -0.34 -0.04 0.00 1.01 0.00 0.00 42.92 43.67 1sp5 s ASP 30 CO 0.83 -0.27 0.73 -0.89 0.21 0.00 0.00 175.17 175.78 1sp5 s THR 31 N -2.68 4.98 -0.10 -1.27 2.01 -1.26 -3.62 115.64 113.70 1sp5 s THR 31 Ca 0.33 1.53 -0.01 0.00 0.31 0.00 0.00 61.69 63.85 1sp5 s THR 31 Cb 0.04 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.50 1sp5 s THR 31 CO 0.16 0.27 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.61 1sp5 s VAL 32 N 0.65 0.83 0.16 3.82 1.01 -0.38 -0.85 120.40 125.64 1sp5 s VAL 32 Ca 0.39 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.26 1sp5 s VAL 32 Cb -0.18 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1sp5 s VAL 32 CO 0.20 0.33 0.05 -0.76 0.00 0.00 0.00 175.10 174.92 1sp5 s LEU 33 N 1.71 3.50 0.86 3.92 1.43 0.69 -0.02 118.68 130.78 1sp5 s LEU 33 Ca 0.04 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 1sp5 s LEU 33 Cb -0.13 -2.15 0.11 0.00 0.03 0.00 0.00 46.19 44.06 1sp5 s LEU 33 CO -0.07 0.09 1.11 -1.61 0.23 0.00 0.00 176.35 176.11 1sp5 s GLU 34 N -2.93 1.50 0.03 1.70 2.02 -1.26 -1.54 118.70 118.22 1sp5 s GLU 34 Ca 0.28 1.29 -0.39 0.00 0.02 0.00 0.00 54.97 56.17 1sp5 s GLU 34 Cb -0.10 -1.80 -0.19 0.00 0.10 0.00 0.00 34.13 32.14 1sp5 s GLU 34 CO 0.20 -2.21 1.19 0.39 0.02 0.00 0.00 175.26 174.86 1sp5 n GLU 35 N -3.92 0.48 -3.65 1.61 -0.58 -1.16 -4.56 120.64 108.86 1sp5 n GLU 35 Ca 0.10 0.17 -0.03 0.00 -0.42 0.00 0.00 57.16 56.98 1sp5 n GLU 35 Cb 0.53 -1.73 -0.01 0.00 -0.57 0.00 0.00 31.44 29.65 1sp5 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sp5 s MET 36 N 0.26 0.80 -0.08 3.49 0.23 -1.26 -5.02 119.30 117.72 1sp5 s MET 36 Ca 0.89 -0.41 -0.05 0.00 -1.03 0.00 0.00 55.69 55.09 1sp5 s MET 36 Cb -1.14 0.30 -0.04 0.00 -1.53 0.00 0.00 34.83 32.42 1sp5 s MET 36 CO 0.53 -0.36 0.15 0.45 -2.03 0.00 0.00 175.02 173.76 1sp5 s SER 37 N -2.77 6.32 0.11 -1.18 0.15 -1.26 -5.01 113.70 110.06 1sp5 s SER 37 Ca 0.11 0.41 0.04 0.00 0.70 0.00 0.00 55.95 57.21 1sp5 s SER 37 Cb 0.00 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.26 1sp5 s SER 37 CO -0.02 0.36 -0.10 -0.76 1.20 0.00 0.00 173.24 173.91 1sp5 s LEU 38 N -1.33 2.44 0.55 3.45 1.43 -1.26 -5.09 118.68 118.89 1sp5 s LEU 38 Ca 0.19 -0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 52.26 1sp5 s LEU 38 Cb -0.12 -0.31 -0.06 0.00 0.03 0.00 0.00 46.19 45.72 1sp5 s LEU 38 CO 0.09 -0.29 1.01 -2.16 0.23 0.00 0.00 176.35 175.24 1sp5 s PRO 39 N -3.10 3.69 0.00 1.29 0.04 -1.26 -4.93 135.00 130.73 1sp5 s PRO 39 Ca 0.09 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1sp5 s PRO 39 Cb -0.01 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1sp5 s PRO 39 CO -0.00 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.96 1sp5 n GLY 40 N -1.51 0.05 3.93 0.56 0.00 -1.26 -4.96 105.19 102.00 1sp5 n GLY 40 Ca 0.07 -1.97 -0.26 0.00 0.00 0.00 0.00 46.02 43.86 1sp5 n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1sp5 s ARG 41 N -1.07 2.93 0.15 1.61 1.70 -1.26 -5.10 118.95 117.91 1sp5 s ARG 41 Ca 0.00 -0.13 -0.05 0.00 -0.47 0.00 0.00 55.73 55.08 1sp5 s ARG 41 Cb 0.00 -2.34 -0.02 0.00 -0.57 0.00 0.00 34.95 32.02 1sp5 s ARG 41 CO 0.00 -0.62 0.17 1.67 -1.08 0.00 0.00 175.30 175.45 1sp5 s TRP 42 N -2.90 0.63 0.05 5.89 1.48 -1.26 -4.51 118.94 118.32 1sp5 s TRP 42 Ca 0.53 -1.00 0.03 0.00 -1.06 0.00 0.00 56.10 54.59 1sp5 s TRP 42 Cb -0.10 -0.27 -0.02 0.00 -1.16 0.00 0.00 33.47 31.91 1sp5 s TRP 42 CO 0.43 -0.62 -0.09 -1.59 -4.06 0.00 0.00 176.95 171.03 1sp5 s LYS 43 N -4.01 0.56 0.60 3.25 -2.85 -0.75 -4.89 119.74 111.65 1sp5 s LYS 43 Ca 0.21 -0.78 -0.16 0.00 -1.00 0.00 0.00 55.97 54.23 1sp5 s LYS 43 Cb 0.05 -0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 35.44 1sp5 s LYS 43 CO 0.01 0.07 1.09 -1.25 0.10 0.00 0.00 175.35 175.37 1sp5 s PRO 44 N -1.59 3.15 0.09 1.78 0.04 -1.26 -0.21 135.00 136.99 1sp5 s PRO 44 Ca -0.09 1.37 -0.19 0.00 0.04 0.00 0.00 61.00 62.13 1sp5 s PRO 44 Cb -0.10 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.48 1sp5 s PRO 44 CO 0.01 -0.97 0.46 0.21 0.04 0.00 0.00 177.00 176.74 1sp5 s LYS 45 N -3.87 1.05 -0.10 4.56 2.20 -0.50 -4.84 119.74 118.24 1sp5 s LYS 45 Ca 0.67 -0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.84 1sp5 s LYS 45 Cb -0.19 0.47 -0.01 0.00 -1.51 0.00 0.00 37.83 36.59 1sp5 s LYS 45 CO 0.36 -0.40 -0.21 -1.64 -0.36 0.00 0.00 175.35 173.10 1sp5 s MET 46 N -3.11 3.02 0.07 4.03 -1.94 -1.26 -0.75 119.30 119.35 1sp5 s MET 46 Ca -0.01 -0.82 0.08 0.00 -1.71 0.00 0.00 55.69 53.22 1sp5 s MET 46 Cb 0.00 -2.36 -0.03 0.00 2.01 0.00 0.00 34.83 34.45 1sp5 s MET 46 CO -0.07 0.25 -0.22 0.96 -0.01 0.00 0.00 175.02 175.93 1sp5 s ILE 47 N 0.19 1.79 0.28 2.53 -4.36 -0.66 -4.96 121.20 116.01 1sp5 s ILE 47 Ca -0.12 -1.40 0.09 0.00 -0.26 0.00 0.00 60.65 58.95 1sp5 s ILE 47 Cb -0.16 -1.58 -0.06 0.00 1.25 0.00 0.00 42.46 41.91 1sp5 s ILE 47 CO 0.07 0.11 -0.12 -0.83 0.24 0.00 0.00 174.94 174.41 1sp5 s GLY 48 N -1.54 1.86 0.00 6.27 0.00 -1.26 -1.38 107.32 111.27 1sp5 s GLY 48 Ca 0.08 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.90 1sp5 s GLY 48 CO 0.03 -1.91 0.00 0.61 0.00 0.00 0.00 173.10 171.84 1sp5 n GLY 49 N -0.61 2.07 3.74 0.20 0.00 -0.14 -4.98 105.19 105.47 1sp5 n GLY 49 Ca -0.06 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1sp5 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sp5 s ILE 50 N -2.05 2.17 0.00 -0.61 -1.09 -1.26 -1.64 121.20 116.73 1sp5 s ILE 50 Ca 0.00 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 1sp5 s ILE 50 Cb 0.00 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.79 1sp5 s ILE 50 CO 0.00 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 1sp5 n GLY 51 N 2.85 1.84 0.00 6.18 0.00 -1.26 -4.93 105.19 109.87 1sp5 n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1sp5 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sp5 n GLY 52 N -2.00 0.11 3.63 -0.02 0.00 -0.65 -5.05 105.19 101.21 1sp5 n GLY 52 Ca 0.00 -2.03 -0.27 0.00 0.00 0.00 0.00 46.02 43.71 1sp5 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sp5 s PHE 53 N 0.00 2.79 0.06 1.61 0.40 -1.26 -0.96 117.98 120.62 1sp5 s PHE 53 Ca 0.00 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.22 1sp5 s PHE 53 Cb 0.00 -1.38 -0.03 0.00 0.51 0.00 0.00 43.02 42.12 1sp5 s PHE 53 CO 0.00 0.50 -0.12 0.96 0.70 0.00 0.00 175.22 177.26 1sp5 s ILE 54 N -1.59 0.88 -0.00 0.64 -4.36 -0.48 -4.97 121.20 111.31 1sp5 s ILE 54 Ca 0.26 -1.19 -0.19 0.00 -0.26 0.00 0.00 60.65 59.27 1sp5 s ILE 54 Cb -0.10 -0.87 -0.06 0.00 1.25 0.00 0.00 42.46 42.68 1sp5 s ILE 54 CO 0.17 -0.27 0.54 -0.75 0.24 0.00 0.00 174.94 174.87 1sp5 s LYS 55 N -1.63 4.23 0.20 0.37 2.20 -1.26 -1.66 119.74 122.19 1sp5 s LYS 55 Ca -0.05 0.64 0.03 0.00 -0.36 0.00 0.00 55.97 56.23 1sp5 s LYS 55 Cb -0.10 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 1sp5 s LYS 55 CO 0.01 0.45 -0.00 0.14 -0.36 0.00 0.00 175.35 175.59 1sp5 s VAL 56 N -0.41 0.85 -0.19 4.02 -7.23 0.07 -4.47 120.40 113.03 1sp5 s VAL 56 Ca 0.29 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.37 1sp5 s VAL 56 Cb -0.18 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 1sp5 s VAL 56 CO 0.16 -0.42 0.08 -0.13 -0.31 0.00 0.00 175.10 174.48 1sp5 s ARG 57 N -3.89 3.98 -0.28 4.82 0.52 -0.10 -1.41 118.95 122.59 1sp5 s ARG 57 Ca 0.26 -0.34 -0.13 0.00 -0.52 0.00 0.00 55.73 55.00 1sp5 s ARG 57 Cb 0.06 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 1sp5 s ARG 57 CO 0.06 0.22 0.28 -1.14 0.02 0.00 0.00 175.30 174.74 1sp5 s GLN 58 N 0.52 3.92 -0.13 3.54 0.74 0.71 -1.02 119.66 127.94 1sp5 s GLN 58 Ca 0.04 -0.20 -0.01 0.00 0.05 0.00 0.00 55.36 55.23 1sp5 s GLN 58 Cb -0.13 -3.68 -0.02 0.00 1.10 0.00 0.00 33.01 30.29 1sp5 s GLN 58 CO 0.01 -0.26 -0.09 0.71 -0.55 0.00 0.00 175.29 175.11 1sp5 s TYR 59 N 1.90 2.91 0.29 1.67 1.51 -0.29 -1.82 117.35 123.52 1sp5 s TYR 59 Ca 0.10 -0.43 0.04 0.00 -1.01 0.00 0.00 57.07 55.77 1sp5 s TYR 59 Cb -0.16 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 1sp5 s TYR 59 CO 0.11 -0.08 0.45 -0.51 -1.11 0.00 0.00 175.55 174.40 1sp5 s ASP 60 N 0.23 6.25 -1.25 2.29 1.01 -1.26 -0.63 116.67 123.30 1sp5 s ASP 60 Ca -0.06 0.17 -0.13 0.00 0.71 0.00 0.00 52.55 53.24 1sp5 s ASP 60 Cb -0.15 -1.83 -0.00 0.00 1.01 0.00 0.00 42.92 41.95 1sp5 s ASP 60 CO 0.04 -0.21 0.63 0.00 0.21 0.00 0.00 175.17 175.84 1sp5 n GLN 61 N -1.58 -2.03 -4.17 8.23 6.02 -1.16 -4.91 117.38 117.77 1sp5 n GLN 61 Ca -0.06 0.41 -0.35 0.00 -0.01 0.00 0.00 57.00 56.98 1sp5 n GLN 61 Cb 0.57 -4.17 -0.08 0.00 1.02 0.00 0.00 30.24 27.58 1sp5 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1sp5 s ILE 62 N -3.67 4.74 -0.13 5.09 -1.09 0.15 -4.82 121.20 121.47 1sp5 s ILE 62 Ca 0.28 -0.18 -0.07 0.00 -2.23 0.00 0.00 60.65 58.45 1sp5 s ILE 62 Cb -0.11 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.67 1sp5 s ILE 62 CO 0.88 0.54 0.14 -0.22 -1.23 0.00 0.00 174.94 175.04 1sp5 s LEU 63 N -1.17 4.35 0.02 2.97 2.96 -1.26 -1.62 118.68 124.92 1sp5 s LEU 63 Ca 0.16 0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 1sp5 s LEU 63 Cb -0.12 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 1sp5 s LEU 63 CO 0.06 0.37 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.80 1sp5 s ILE 64 N -0.81 0.15 -0.18 6.68 1.01 -0.17 -4.53 121.20 123.35 1sp5 s ILE 64 Ca 0.14 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 1sp5 s ILE 64 Cb -0.12 -0.26 -0.03 0.00 0.01 0.00 0.00 42.46 42.06 1sp5 s ILE 64 CO 0.03 -0.37 -0.02 -1.61 0.00 0.00 0.00 174.94 172.97 1sp5 s GLU 65 N -1.16 3.67 -0.27 2.79 2.02 -0.12 -0.63 118.70 124.99 1sp5 s GLU 65 Ca -0.12 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.37 1sp5 s GLU 65 Cb -0.08 -3.00 0.05 0.00 0.10 0.00 0.00 34.13 31.20 1sp5 s GLU 65 CO -0.01 0.15 -0.06 0.42 0.02 0.00 0.00 175.26 175.78 1sp5 s ILE 66 N 0.63 2.62 -1.54 -1.63 1.01 0.25 -0.45 121.20 122.08 1sp5 s ILE 66 Ca -0.01 -1.41 -0.12 0.00 0.00 0.00 0.00 60.65 59.11 1sp5 s ILE 66 Cb -0.14 -2.48 0.09 0.00 0.01 0.00 0.00 42.46 39.94 1sp5 s ILE 66 CO 0.02 -0.01 0.83 0.00 0.00 0.00 0.00 174.94 175.78 1sp5 n GLY 68 N -1.63 2.37 3.68 0.00 0.00 -1.26 -5.01 105.19 103.33 1sp5 n GLY 68 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1sp5 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sp5 s HIS 69 N -2.79 3.36 0.38 1.61 4.02 -0.13 -5.05 115.29 116.70 1sp5 s HIS 69 Ca 0.00 0.40 -0.25 0.00 1.02 0.00 0.00 55.06 56.23 1sp5 s HIS 69 Cb 0.00 -2.34 -0.09 0.00 -1.02 0.00 0.00 32.58 29.13 1sp5 s HIS 69 CO 0.00 0.09 1.04 0.15 1.02 0.00 0.00 174.74 177.05 1sp5 s LYS 70 N 0.97 4.24 -0.13 1.40 1.02 -1.26 -0.59 119.74 125.38 1sp5 s LYS 70 Ca 0.12 1.52 -0.10 0.00 0.02 0.00 0.00 55.97 57.53 1sp5 s LYS 70 Cb -0.13 -2.61 0.04 0.00 -0.52 0.00 0.00 37.83 34.60 1sp5 s LYS 70 CO 0.05 -0.08 0.34 0.00 -0.92 0.00 0.00 175.35 174.73 1sp5 s ALA 71 N -1.62 -0.84 0.02 5.17 0.00 0.19 -4.73 121.76 119.96 1sp5 s ALA 71 Ca 0.56 1.07 0.09 0.00 0.00 0.00 0.00 51.96 53.67 1sp5 s ALA 71 Cb -0.22 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1sp5 s ALA 71 CO 0.28 -0.18 -0.25 0.42 0.00 0.00 0.00 175.76 176.03 1sp5 s ILE 72 N 0.56 2.22 -2.31 0.00 1.01 -1.26 -1.00 121.20 120.41 1sp5 s ILE 72 Ca -0.03 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.35 1sp5 s ILE 72 Cb -0.05 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.58 1sp5 s ILE 72 CO -0.03 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1sp5 n GLY 73 N 1.95 -1.32 3.75 6.18 0.00 -0.64 -4.92 105.19 110.18 1sp5 n GLY 73 Ca -0.17 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 1sp5 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sp5 s THR 74 N -2.98 3.93 -0.08 2.61 2.01 -1.26 -0.68 115.64 119.19 1sp5 s THR 74 Ca 0.00 1.90 0.01 0.00 0.31 0.00 0.00 61.69 63.91 1sp5 s THR 74 Cb 0.00 -4.21 0.02 0.00 0.01 0.00 0.00 72.50 68.32 1sp5 s THR 74 CO 0.00 0.44 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.60 1sp5 s VAL 75 N -1.05 0.92 -0.03 3.82 1.01 0.20 -4.39 120.40 120.88 1sp5 s VAL 75 Ca 0.43 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 1sp5 s VAL 75 Cb -0.28 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 1sp5 s VAL 75 CO 0.34 0.33 0.27 -0.76 0.00 0.00 0.00 175.10 175.29 1sp5 s LEU 76 N 1.16 4.40 -0.09 3.92 1.43 -0.03 -1.14 118.68 128.33 1sp5 s LEU 76 Ca -0.06 0.65 0.03 0.00 -1.03 0.00 0.00 54.13 53.72 1sp5 s LEU 76 Cb -0.14 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.60 1sp5 s LEU 76 CO -0.02 0.31 -0.18 -0.69 0.23 0.00 0.00 176.35 176.00 1sp5 s VAL 77 N -1.17 1.66 0.00 -1.59 1.01 -0.19 -0.22 120.40 119.90 1sp5 s VAL 77 Ca 0.23 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1sp5 s VAL 77 Cb -0.14 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1sp5 s VAL 77 CO 0.12 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1sp5 n GLY 78 N 3.76 0.58 2.25 4.51 0.00 -0.59 -0.93 105.19 114.78 1sp5 n GLY 78 Ca -0.20 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 1sp5 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sp5 n PRO 79 N 0.00 2.23 -2.96 1.61 -0.04 -1.26 -3.00 135.00 131.57 1sp5 n PRO 79 Ca 0.00 -1.28 -0.35 0.00 -0.04 0.00 0.00 63.50 61.83 1sp5 n PRO 79 Cb 0.00 -2.23 -0.06 0.00 -0.04 0.00 0.00 33.50 31.16 1sp5 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1sp5 s THR 80 N 1.98 4.45 0.18 0.52 -1.32 -1.26 -4.96 115.64 115.23 1sp5 s THR 80 Ca 0.55 1.42 0.33 0.00 -1.21 0.00 0.00 61.69 62.78 1sp5 s THR 80 Cb 0.21 -3.81 0.36 0.00 -1.51 0.00 0.00 72.50 67.75 1sp5 s THR 80 CO -0.02 0.02 2.00 1.55 -2.21 0.00 0.00 174.62 175.95 1sp5 h PRO 81 N 2.85 0.00 -2.99 7.08 0.13 -1.98 -3.44 132.00 133.65 1sp5 h PRO 81 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 1sp5 h PRO 81 Cb 1.19 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.13 1sp5 h PRO 81 CO 0.64 0.05 -0.17 0.54 -0.23 0.00 0.00 178.00 178.83 1sp5 s VAL 82 N -3.74 0.06 0.24 1.56 0.11 -1.26 -5.08 120.40 112.29 1sp5 s VAL 82 Ca 0.00 -0.47 -0.30 0.00 -2.93 0.00 0.00 61.98 58.28 1sp5 s VAL 82 Cb 0.10 -0.82 -0.10 0.00 -1.53 0.00 0.00 36.38 34.03 1sp5 s VAL 82 CO 0.55 -0.26 1.41 0.20 -3.33 0.00 0.00 175.10 173.68 1sp5 s ASN 83 N -1.67 6.70 -0.10 3.54 0.01 -1.26 -4.69 114.94 117.45 1sp5 s ASN 83 Ca -0.09 2.62 0.03 0.00 -0.71 0.00 0.00 52.86 54.71 1sp5 s ASN 83 Cb -0.02 -2.62 0.01 0.00 0.41 0.00 0.00 41.25 39.02 1sp5 s ASN 83 CO 0.01 -0.67 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.12 1sp5 s ILE 84 N -0.02 1.70 -0.34 0.60 1.01 0.98 -1.08 121.20 124.04 1sp5 s ILE 84 Ca 0.59 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 60.32 1sp5 s ILE 84 Cb -0.41 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 1sp5 s ILE 84 CO 0.43 0.48 0.27 -0.63 0.00 0.00 0.00 174.94 175.48 1sp5 s ILE 85 N 0.70 5.26 0.67 2.92 -1.09 -0.06 -1.25 121.20 128.35 1sp5 s ILE 85 Ca -0.12 -0.19 0.05 0.00 -2.23 0.00 0.00 60.65 58.15 1sp5 s ILE 85 Cb -0.16 -3.75 0.12 0.00 -1.58 0.00 0.00 42.46 37.09 1sp5 s ILE 85 CO 0.03 -0.04 0.92 0.61 -1.23 0.00 0.00 174.94 175.22 1sp5 n GLY 86 N 5.08 1.27 0.35 6.18 0.00 -1.24 -1.13 105.19 115.71 1sp5 n GLY 86 Ca -0.12 -2.13 0.16 0.00 0.00 0.00 0.00 46.02 43.93 1sp5 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sp5 h ARG 87 N 0.00 0.05 -0.09 1.61 3.08 -0.89 -1.30 114.38 116.84 1sp5 h ARG 87 Ca -0.31 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.77 1sp5 h ARG 87 Cb 1.26 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1sp5 h ARG 87 CO 0.38 0.04 0.07 -2.95 -1.07 0.00 0.00 179.97 176.43 1sp5 h ASN 88 N 0.06 0.00 0.00 7.04 -1.07 -1.72 -2.30 115.58 117.58 1sp5 h ASN 88 Ca 0.19 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.31 1sp5 h ASN 88 Cb 0.68 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.89 1sp5 h ASN 88 CO -0.01 0.00 -2.04 0.18 0.07 0.00 0.00 177.43 175.63 1sp5 n LEU 89 N -4.43 0.00 -0.19 6.14 4.77 -0.80 -4.41 117.00 118.07 1sp5 n LEU 89 Ca -0.01 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.98 1sp5 n LEU 89 Cb 0.18 0.34 0.26 0.00 -2.33 0.00 0.00 43.42 41.87 1sp5 n LEU 89 CO 0.34 0.34 1.23 -0.07 -1.33 0.00 0.00 177.39 177.90 1sp5 h LEU 90 N 0.00 0.82 -1.05 2.23 3.38 -1.03 -2.09 115.31 117.56 1sp5 h LEU 90 Ca -0.37 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 1sp5 h LEU 90 Cb 1.81 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 42.32 1sp5 h LEU 90 CO 0.02 0.60 0.41 0.71 0.09 0.00 0.00 178.44 180.27 1sp5 h THR 91 N 0.97 1.23 0.00 0.22 1.35 -1.64 -1.40 112.91 113.63 1sp5 h THR 91 Ca 0.26 -0.58 -0.03 0.00 -0.55 0.00 0.00 66.41 65.51 1sp5 h THR 91 Cb -0.11 0.19 -0.00 0.00 -1.73 0.00 0.00 68.15 66.50 1sp5 h THR 91 CO -0.06 0.26 -0.14 1.56 -0.25 0.00 0.00 175.52 176.89 1sp5 h GLN 92 N 1.08 0.00 -0.63 4.72 1.08 -1.59 -1.50 115.11 118.28 1sp5 h GLN 92 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1sp5 h GLN 92 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1sp5 h GLN 92 CO -0.04 0.14 0.00 0.44 -0.95 0.00 0.00 178.83 178.42 1sp5 n ILE 93 N -3.71 0.88 -2.18 2.54 -5.35 -1.05 -4.92 119.36 105.56 1sp5 n ILE 93 Ca -0.02 -0.94 -0.08 0.00 -0.27 0.00 0.00 62.75 61.45 1sp5 n ILE 93 Cb 0.25 0.62 -0.00 0.00 -1.74 0.00 0.00 39.64 38.77 1sp5 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sp5 n GLY 94 N 1.56 0.08 3.71 3.28 0.00 -0.56 -5.00 105.19 108.26 1sp5 n GLY 94 Ca 0.23 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1sp5 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sp5 s THR 96 N 1.13 1.17 -0.13 0.00 -4.23 -1.26 -4.68 115.64 107.63 1sp5 s THR 96 Ca 0.55 -2.06 -0.06 0.00 -1.18 0.00 0.00 61.69 58.94 1sp5 s THR 96 Cb -0.25 -1.93 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1sp5 s THR 96 CO 0.28 -0.68 0.10 -0.76 -0.54 0.00 0.00 174.62 173.03 1sp5 s LEU 97 N -3.19 4.15 -0.01 4.79 1.43 -1.26 -5.09 118.68 119.50 1sp5 s LEU 97 Ca 0.19 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 1sp5 s LEU 97 Cb 0.03 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1sp5 s LEU 97 CO 0.02 0.35 -0.02 0.20 0.23 0.00 0.00 176.35 177.13 1sp5 s ASN 98 N -0.68 0.34 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.47 1sp5 s ASN 98 Ca 0.12 -0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.37 1sp5 s ASN 98 Cb -0.12 -0.08 0.00 0.00 -0.02 0.00 0.00 41.25 41.03 1sp5 s ASN 98 CO 0.02 0.00 0.00 2.22 -2.57 0.00 0.00 177.10 176.78