#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrl s SER 2 N 0.00 0.07 -0.13 1.61 1.04 -1.26 -5.18 113.70 109.85 2yrl s SER 2 Ca 0.00 -1.17 -0.30 0.00 0.48 0.00 0.00 55.95 54.95 2yrl s SER 2 Cb 0.00 0.49 0.12 0.00 0.10 0.00 0.00 66.02 66.73 2yrl s SER 2 CO 0.00 -1.00 1.00 -0.94 0.98 0.00 0.00 173.24 173.28 2yrl s SER 3 N -3.10 -0.34 -0.11 7.02 1.04 -1.26 -4.94 113.70 112.02 2yrl s SER 3 Ca 0.31 0.25 -0.05 0.00 0.48 0.00 0.00 55.95 56.94 2yrl s SER 3 Cb 0.03 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 2yrl s SER 3 CO 0.11 -0.39 0.08 -0.83 0.98 0.00 0.00 173.24 173.19 2yrl s GLY 4 N -1.55 2.03 0.00 7.32 0.00 -1.26 -5.01 107.32 108.85 2yrl s GLY 4 Ca 0.01 -0.71 -0.20 0.00 0.00 0.00 0.00 44.72 43.83 2yrl s GLY 4 CO -0.02 -0.44 1.09 1.48 0.00 0.00 0.00 173.10 175.21 2yrl h SER 5 N 5.12 0.54 -0.58 1.64 4.64 -2.02 -3.35 113.55 119.55 2yrl h SER 5 Ca -0.53 -0.77 0.05 0.00 -0.47 0.00 0.00 61.79 60.07 2yrl h SER 5 Cb 1.21 -0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 63.06 2yrl h SER 5 CO 0.57 1.25 -0.39 -1.28 -0.87 0.00 0.00 176.83 176.11 2yrl h SER 6 N -0.10 -1.41 0.00 4.97 0.87 -2.03 -3.46 113.55 112.40 2yrl h SER 6 Ca -0.08 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2yrl h SER 6 Cb 1.36 0.61 0.00 0.00 -0.44 0.00 0.00 62.40 63.93 2yrl h SER 6 CO 0.13 -0.18 0.00 0.61 -0.53 0.00 0.00 176.83 176.85 2yrl n GLY 7 N -1.19 -0.16 0.11 5.77 0.00 -1.26 -5.07 105.19 103.41 2yrl n GLY 7 Ca 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 2yrl n GLY 7 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2yrl h GLN 8 N 0.00 -0.19 -6.73 1.61 4.20 -1.89 -3.44 115.11 108.66 2yrl h GLN 8 Ca 0.00 0.01 -0.69 0.00 0.06 0.00 0.00 58.65 58.04 2yrl h GLN 8 Cb 0.00 0.04 -0.23 0.00 0.30 0.00 0.00 27.48 27.60 2yrl h GLN 8 CO 0.00 -0.04 -0.84 0.00 -0.67 0.00 0.00 178.83 177.28 2yrl s ALA 9 N -5.75 2.47 -0.24 3.87 0.00 -1.26 -4.45 121.76 116.40 2yrl s ALA 9 Ca -0.14 -1.32 -0.00 0.00 0.00 0.00 0.00 51.96 50.50 2yrl s ALA 9 Cb 0.05 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.64 2yrl s ALA 9 CO 0.64 0.56 -0.09 0.34 0.00 0.00 0.00 175.76 177.21 2yrl s ASP 10 N -1.68 4.21 -0.26 0.00 2.15 -1.26 -4.69 116.67 115.14 2yrl s ASP 10 Ca 0.14 -0.98 0.13 0.00 0.43 0.00 0.00 52.55 52.28 2yrl s ASP 10 Cb -0.10 -1.62 0.73 0.00 -0.30 0.00 0.00 42.92 41.63 2yrl s ASP 10 CO 0.06 -0.13 1.69 0.00 -0.17 0.00 0.00 175.17 176.61 2yrl n ALA 11 N 4.61 3.94 -0.75 3.66 0.00 -1.26 -4.58 120.51 126.12 2yrl n ALA 11 Ca -0.16 -2.19 0.09 0.00 0.00 0.00 0.00 53.44 51.17 2yrl n ALA 11 Cb 0.46 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 2yrl n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yrl n GLY 12 N 0.07 -3.04 3.74 0.00 0.00 -1.26 -4.79 105.19 99.90 2yrl n GLY 12 Ca 0.31 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 2yrl n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yrl s PRO 13 N -3.70 1.67 0.14 1.61 0.04 -1.26 -4.90 135.00 128.60 2yrl s PRO 13 Ca 0.00 0.97 -0.25 0.00 0.04 0.00 0.00 61.00 61.75 2yrl s PRO 13 Cb 0.00 -1.85 -0.15 0.00 0.04 0.00 0.00 34.50 32.55 2yrl s PRO 13 CO 0.00 -1.99 0.52 -0.40 0.04 0.00 0.00 177.00 175.17 2yrl n ASP 14 N -3.73 -0.86 -4.60 6.66 5.75 -1.26 -4.92 116.55 113.59 2yrl n ASP 14 Ca 0.08 0.96 -0.34 0.00 -0.01 0.00 0.00 54.79 55.47 2yrl n ASP 14 Cb 0.54 -0.79 -0.10 0.00 -1.03 0.00 0.00 41.12 39.74 2yrl n ASP 14 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2yrl s LYS 15 N -0.68 3.91 -0.19 0.11 -0.14 -0.64 -5.05 119.74 117.06 2yrl s LYS 15 Ca 0.58 -0.38 -0.01 0.00 -1.36 0.00 0.00 55.97 54.80 2yrl s LYS 15 Cb -0.84 -3.16 0.05 0.00 -1.68 0.00 0.00 37.83 32.21 2yrl s LYS 15 CO 0.47 0.26 -0.02 -2.00 -0.76 0.00 0.00 175.35 173.30 2yrl s GLU 16 N 0.39 1.15 0.02 1.68 2.12 -1.26 -0.55 118.70 122.26 2yrl s GLU 16 Ca 0.02 -0.59 0.04 0.00 0.36 0.00 0.00 54.97 54.79 2yrl s GLU 16 Cb -0.13 -2.18 -0.03 0.00 0.26 0.00 0.00 34.13 32.05 2yrl s GLU 16 CO 0.01 -0.56 -0.07 -0.51 -0.54 0.00 0.00 175.26 173.59 2yrl s LEU 17 N 1.66 3.14 -0.24 2.70 1.43 -0.50 -5.00 118.68 121.86 2yrl s LEU 17 Ca -0.02 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2yrl s LEU 17 Cb -0.17 -1.82 0.05 0.00 0.03 0.00 0.00 46.19 44.29 2yrl s LEU 17 CO -0.07 0.27 -0.11 -0.89 0.23 0.00 0.00 176.35 175.78 2yrl s THR 18 N -1.03 2.01 0.95 5.49 2.01 -1.26 0.03 115.64 123.85 2yrl s THR 18 Ca 0.18 -1.45 -0.17 0.00 0.31 0.00 0.00 61.69 60.55 2yrl s THR 18 Cb -0.11 -2.11 -0.14 0.00 0.01 0.00 0.00 72.50 70.14 2yrl s THR 18 CO 0.08 0.03 -0.69 0.18 -0.69 0.00 0.00 174.62 173.53 2yrl n LEU 19 N 4.51 -5.55 0.00 4.42 4.77 -0.45 -2.55 117.00 122.15 2yrl n LEU 19 Ca -0.14 0.23 0.07 0.00 -0.03 0.00 0.00 56.01 56.14 2yrl n LEU 19 Cb 0.43 -0.79 0.39 0.00 -2.33 0.00 0.00 43.42 41.13 2yrl n LEU 19 CO 0.21 -5.82 0.69 -0.81 -1.33 0.00 0.00 177.39 170.33 2yrl n PRO 20 N 2.21 0.28 -1.47 3.23 -0.04 -1.26 -3.84 135.00 134.10 2yrl n PRO 20 Ca -0.01 0.11 -0.15 0.00 -0.04 0.00 0.00 63.50 63.41 2yrl n PRO 20 Cb 0.55 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 2yrl n PRO 20 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2yrl n VAL 21 N -1.21 0.00 -1.73 0.52 0.31 -1.06 -4.71 118.33 110.46 2yrl n VAL 21 Ca 0.08 -0.45 -0.34 0.00 -0.01 0.00 0.00 64.34 63.63 2yrl n VAL 21 Cb 0.10 -0.95 0.05 0.00 -0.91 0.00 0.00 33.84 32.13 2yrl n VAL 21 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2yrl n ASP 22 N 11.86 6.94 -3.63 4.52 8.00 -1.26 -4.30 116.55 138.66 2yrl n ASP 22 Ca 0.49 -3.79 -0.13 0.00 0.71 0.00 0.00 54.79 52.07 2yrl n ASP 22 Cb 0.32 -0.86 -0.07 0.00 -0.02 0.00 0.00 41.12 40.50 2yrl n ASP 22 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2yrl s SER 23 N -2.05 -0.71 0.22 -2.24 1.04 -1.26 -1.80 113.70 106.90 2yrl s SER 23 Ca 0.57 1.35 -0.06 0.00 0.48 0.00 0.00 55.95 58.29 2yrl s SER 23 Cb 0.46 1.36 -0.03 0.00 0.10 0.00 0.00 66.02 67.92 2yrl s SER 23 CO -0.14 -0.23 0.26 0.28 0.98 0.00 0.00 173.24 174.39 2yrl s THR 24 N 0.43 0.00 -0.13 2.02 -1.32 -0.73 -5.00 115.64 110.91 2yrl s THR 24 Ca -0.00 -1.77 0.02 0.00 -1.21 0.00 0.00 61.69 58.73 2yrl s THR 24 Cb -0.05 -2.37 0.02 0.00 -1.51 0.00 0.00 72.50 68.59 2yrl s THR 24 CO -0.01 -0.01 -0.17 0.42 -2.21 0.00 0.00 174.62 172.63 2yrl s THR 25 N -4.10 1.73 -0.96 5.08 -4.23 -1.26 -1.24 115.64 110.66 2yrl s THR 25 Ca 0.32 -0.77 -0.14 0.00 -1.18 0.00 0.00 61.69 59.92 2yrl s THR 25 Cb 0.04 -1.57 0.20 0.00 1.34 0.00 0.00 72.50 72.51 2yrl s THR 25 CO 0.10 0.49 1.02 -0.76 -0.54 0.00 0.00 174.62 174.93 2yrl s LEU 26 N 1.06 5.98 -0.23 4.79 1.43 0.17 -4.94 118.68 126.95 2yrl s LEU 26 Ca -0.03 -2.73 -0.26 0.00 -1.03 0.00 0.00 54.13 50.07 2yrl s LEU 26 Cb -0.14 -2.29 -0.00 0.00 0.03 0.00 0.00 46.19 43.79 2yrl s LEU 26 CO -0.05 -0.68 0.91 1.51 0.23 0.00 0.00 176.35 178.28 2yrl s ASP 27 N 2.49 6.95 -0.22 2.29 -4.77 -1.26 -2.15 116.67 120.00 2yrl s ASP 27 Ca 0.28 1.18 0.12 0.00 -3.30 0.00 0.00 52.55 50.83 2yrl s ASP 27 Cb -0.08 -2.48 0.43 0.00 -1.09 0.00 0.00 42.92 39.71 2yrl s ASP 27 CO -0.08 -0.56 1.21 0.61 0.70 0.00 0.00 175.17 177.05 2yrl n GLY 28 N 3.55 5.05 0.21 2.12 0.00 0.07 -4.48 105.19 111.72 2yrl n GLY 28 Ca 0.08 -1.60 0.08 0.00 0.00 0.00 0.00 46.02 44.58 2yrl n GLY 28 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2yrl h SER 29 N 1.34 0.00 -0.99 1.61 0.02 -1.87 -3.21 113.55 110.44 2yrl h SER 29 Ca 0.07 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.51 2yrl h SER 29 Cb 1.21 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.59 2yrl h SER 29 CO 0.20 0.28 0.65 0.29 -1.14 0.00 0.00 176.83 177.10 2yrl n LYS 30 N -3.55 2.69 -3.71 3.45 4.76 -1.26 -4.75 118.16 115.79 2yrl n LYS 30 Ca -0.01 -2.40 -0.30 0.00 -2.87 0.00 0.00 58.31 52.74 2yrl n LYS 30 Cb 0.42 -2.21 -0.13 0.00 -1.84 0.00 0.00 35.03 31.27 2yrl n LYS 30 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2yrl s SER 31 N 0.50 3.67 -0.17 4.39 1.04 -1.21 -4.63 113.70 117.29 2yrl s SER 31 Ca 0.59 -2.51 -0.20 0.00 0.48 0.00 0.00 55.95 54.31 2yrl s SER 31 Cb 0.35 -1.00 0.05 0.00 0.10 0.00 0.00 66.02 65.52 2yrl s SER 31 CO -0.19 -0.28 0.55 -0.44 0.98 0.00 0.00 173.24 173.86 2yrl s SER 32 N 0.50 -0.55 -0.20 7.02 0.01 -1.26 -4.66 113.70 114.55 2yrl s SER 32 Ca 0.17 0.98 -0.17 0.00 1.31 0.00 0.00 55.95 58.24 2yrl s SER 32 Cb -0.24 0.99 -0.07 0.00 0.21 0.00 0.00 66.02 66.91 2yrl s SER 32 CO -0.02 -0.27 -0.33 0.47 0.41 0.00 0.00 173.24 173.50 2yrl n ASP 33 N 2.42 1.94 0.00 2.44 8.00 -1.26 -4.92 116.55 125.17 2yrl n ASP 33 Ca -0.15 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.70 2yrl n ASP 33 Cb 0.56 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 2yrl n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2yrl n ASP 34 N -4.42 3.13 -3.18 -2.24 5.75 -1.26 -5.11 116.55 109.22 2yrl n ASP 34 Ca -0.23 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.37 2yrl n ASP 34 Cb 0.59 0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.67 2yrl n ASP 34 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2yrl n GLN 35 N -2.21 0.80 -3.10 0.11 10.64 -1.26 -5.15 117.38 117.21 2yrl n GLN 35 Ca 0.00 -2.28 -0.31 0.00 -1.83 0.00 0.00 57.00 52.57 2yrl n GLN 35 Cb 0.38 1.11 -0.05 0.00 -0.86 0.00 0.00 30.24 30.82 2yrl n GLN 35 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2yrl s LYS 36 N -3.05 3.87 0.23 2.61 1.02 -1.26 -4.71 119.74 118.45 2yrl s LYS 36 Ca 0.11 0.50 -0.09 0.00 0.02 0.00 0.00 55.97 56.51 2yrl s LYS 36 Cb 0.01 -2.46 -0.07 0.00 -0.52 0.00 0.00 37.83 34.78 2yrl s LYS 36 CO 0.08 0.12 0.54 0.42 -0.92 0.00 0.00 175.35 175.59 2yrl s ILE 37 N -2.09 4.94 -0.17 2.17 1.01 -1.26 -4.74 121.20 121.05 2yrl s ILE 37 Ca 0.52 0.44 0.13 0.00 0.00 0.00 0.00 60.65 61.73 2yrl s ILE 37 Cb -0.10 -3.62 0.25 0.00 0.01 0.00 0.00 42.46 39.00 2yrl s ILE 37 CO 0.23 -0.08 1.16 2.30 0.00 0.00 0.00 174.94 178.56 2yrl n ILE 38 N -0.16 1.64 -3.80 2.92 -0.00 -1.24 -5.00 119.36 113.73 2yrl n ILE 38 Ca 0.00 -1.75 -0.13 0.00 -0.00 0.00 0.00 62.75 60.87 2yrl n ILE 38 Cb 0.52 0.02 -0.13 0.00 -0.00 0.00 0.00 39.64 40.06 2yrl n ILE 38 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2yrl s SER 39 N -2.06 -0.17 -0.08 7.28 1.04 -1.24 -5.01 113.70 113.46 2yrl s SER 39 Ca 0.24 0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.99 2yrl s SER 39 Cb 0.20 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.68 2yrl s SER 39 CO 0.04 -0.08 0.17 -0.31 0.98 0.00 0.00 173.24 174.04 2yrl s TYR 40 N 0.37 -0.21 -0.03 5.02 2.02 -1.26 -3.90 117.35 119.36 2yrl s TYR 40 Ca -0.02 0.56 -0.05 0.00 -0.37 0.00 0.00 57.07 57.19 2yrl s TYR 40 Cb -0.04 -0.05 0.01 0.00 -0.40 0.00 0.00 41.96 41.48 2yrl s TYR 40 CO -0.02 -0.18 0.13 -1.17 -1.57 0.00 0.00 175.55 172.74 2yrl s LEU 41 N 1.18 1.55 -0.06 -1.29 2.96 -0.70 -4.07 118.68 118.26 2yrl s LEU 41 Ca -0.09 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 2yrl s LEU 41 Cb -0.11 0.49 0.02 0.00 0.50 0.00 0.00 46.19 47.10 2yrl s LEU 41 CO -0.07 -0.15 -0.03 0.26 -1.32 0.00 0.00 176.35 175.05 2yrl s TRP 42 N -0.40 0.73 0.00 5.38 0.52 -0.74 -1.71 118.94 122.71 2yrl s TRP 42 Ca -0.05 -0.21 -0.07 0.00 0.02 0.00 0.00 56.10 55.79 2yrl s TRP 42 Cb -0.03 -0.72 0.00 0.00 -1.15 0.00 0.00 33.47 31.57 2yrl s TRP 42 CO 0.00 -0.25 0.14 -1.21 0.02 0.00 0.00 176.95 175.66 2yrl s GLU 43 N 1.32 0.48 -0.53 4.98 0.41 -1.23 -4.86 118.70 119.27 2yrl s GLU 43 Ca -0.05 -0.37 -0.22 0.00 -0.41 0.00 0.00 54.97 53.92 2yrl s GLU 43 Cb -0.13 0.20 0.05 0.00 -1.78 0.00 0.00 34.13 32.47 2yrl s GLU 43 CO -0.02 -0.11 0.79 0.21 -0.49 0.00 0.00 175.26 175.64 2yrl s LYS 44 N -1.33 3.23 0.07 1.61 2.20 -1.26 -1.10 119.74 123.15 2yrl s LYS 44 Ca -0.14 -0.57 -0.16 0.00 -0.36 0.00 0.00 55.97 54.73 2yrl s LYS 44 Cb -0.07 -4.08 -0.15 0.00 -1.51 0.00 0.00 37.83 32.02 2yrl s LYS 44 CO 0.02 -1.37 1.29 1.79 -0.36 0.00 0.00 175.35 176.72 2yrl h THR 45 N 5.94 1.34 -3.53 3.43 1.35 -0.61 -3.47 112.91 117.37 2yrl h THR 45 Ca -0.27 -1.74 -0.32 0.00 -0.55 0.00 0.00 66.41 63.53 2yrl h THR 45 Cb 1.08 2.01 -0.15 0.00 -1.73 0.00 0.00 68.15 69.36 2yrl h THR 45 CO 1.03 0.53 -0.68 -1.10 -0.25 0.00 0.00 175.52 175.06 2yrl s GLN 46 N -3.87 1.14 0.00 4.72 -0.21 -1.12 -4.99 119.66 115.32 2yrl s GLN 46 Ca -0.12 -1.54 0.00 0.00 0.02 0.00 0.00 55.36 53.72 2yrl s GLN 46 Cb 0.07 -0.46 0.00 0.00 1.00 0.00 0.00 33.01 33.61 2yrl s GLN 46 CO 0.84 -0.05 0.00 0.41 -2.12 0.00 0.00 175.29 174.36 2yrl n GLY 47 N -0.27 2.46 3.69 3.09 0.00 -1.24 -1.46 105.19 111.48 2yrl n GLY 47 Ca -0.08 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 2yrl n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yrl s PRO 48 N -2.13 4.28 0.25 1.61 0.04 -1.26 -4.98 135.00 132.80 2yrl s PRO 48 Ca 0.00 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2yrl s PRO 48 Cb 0.00 -3.52 -0.09 0.00 0.04 0.00 0.00 34.50 30.92 2yrl s PRO 48 CO 0.00 -0.57 1.31 0.34 0.04 0.00 0.00 177.00 178.12 2yrl s ASP 49 N 1.82 6.86 0.00 6.66 -1.08 -1.26 -4.27 116.67 125.41 2yrl s ASP 49 Ca 0.65 2.50 0.00 0.00 -0.52 0.00 0.00 52.55 55.18 2yrl s ASP 49 Cb -0.33 -2.62 0.00 0.00 -1.46 0.00 0.00 42.92 38.50 2yrl s ASP 49 CO 0.28 -0.52 0.00 0.61 0.52 0.00 0.00 175.17 176.06 2yrl n GLY 50 N 1.82 3.47 3.23 2.66 0.00 -1.26 -5.14 105.19 109.97 2yrl n GLY 50 Ca 0.04 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 2yrl n GLY 50 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2yrl n VAL 51 N 0.00 0.00 -3.98 1.61 0.24 -1.26 -4.94 118.33 110.00 2yrl n VAL 51 Ca 0.00 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.34 61.74 2yrl n VAL 51 Cb 0.00 -0.40 -0.16 0.00 -1.47 0.00 0.00 33.84 31.80 2yrl n VAL 51 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2yrl s GLN 52 N -3.02 1.99 -0.08 7.34 -0.21 0.12 -4.92 119.66 120.87 2yrl s GLN 52 Ca 0.50 -0.71 -0.16 0.00 0.02 0.00 0.00 55.36 55.01 2yrl s GLN 52 Cb -0.13 -2.26 -0.05 0.00 1.00 0.00 0.00 33.01 31.57 2yrl s GLN 52 CO 0.70 -0.38 0.42 -0.51 -2.12 0.00 0.00 175.29 173.41 2yrl s LEU 53 N 1.46 4.34 -0.05 2.90 1.43 -1.26 -0.88 118.68 126.62 2yrl s LEU 53 Ca 0.01 0.82 0.06 0.00 -1.03 0.00 0.00 54.13 53.98 2yrl s LEU 53 Cb -0.15 -2.61 -0.01 0.00 0.03 0.00 0.00 46.19 43.45 2yrl s LEU 53 CO -0.09 0.13 -0.23 -1.61 0.23 0.00 0.00 176.35 174.78 2yrl s GLU 54 N 0.02 2.24 -1.53 1.70 8.01 0.12 -4.66 118.70 124.60 2yrl s GLU 54 Ca 0.24 -0.81 0.00 0.00 0.01 0.00 0.00 54.97 54.40 2yrl s GLU 54 Cb -0.15 -1.94 0.00 0.00 -4.31 0.00 0.00 34.13 27.72 2yrl s GLU 54 CO 0.10 0.36 0.00 0.09 0.01 0.00 0.00 175.26 175.83 2yrl n ASN 55 N 2.93 -5.06 0.07 -0.19 3.02 -1.26 -1.41 115.26 113.37 2yrl n ASN 55 Ca -0.17 0.06 0.20 0.00 -0.03 0.00 0.00 54.58 54.64 2yrl n ASN 55 Cb 0.52 -4.13 0.74 0.00 -0.61 0.00 0.00 39.78 36.30 2yrl n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yrl h ALA 56 N 0.67 2.21 -0.31 5.41 0.00 -1.84 0.33 119.26 125.73 2yrl h ALA 56 Ca -0.40 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 2yrl h ALA 56 Cb 1.27 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2yrl h ALA 56 CO 0.49 -0.60 0.09 -1.71 0.00 0.00 0.00 179.25 177.52 2yrl n ASN 57 N -3.97 3.16 -4.29 0.00 2.85 -1.26 -1.79 115.26 109.97 2yrl n ASN 57 Ca 0.07 -2.50 -0.17 0.00 -0.11 0.00 0.00 54.58 51.87 2yrl n ASN 57 Cb 0.57 -0.60 -0.10 0.00 1.24 0.00 0.00 39.78 40.88 2yrl n ASN 57 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2yrl s SER 58 N -0.23 2.15 0.57 1.20 0.01 0.11 -4.65 113.70 112.86 2yrl s SER 58 Ca 0.24 -0.97 0.29 0.00 1.31 0.00 0.00 55.95 56.83 2yrl s SER 58 Cb 0.19 -0.07 1.46 0.00 0.21 0.00 0.00 66.02 67.81 2yrl s SER 58 CO 0.06 -0.22 1.90 0.77 0.41 0.00 0.00 173.24 176.15 2yrl h SER 59 N 2.86 0.00 -3.13 2.44 4.64 -1.89 -3.37 113.55 115.11 2yrl h SER 59 Ca -0.38 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.34 2yrl h SER 59 Cb 1.20 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.94 2yrl h SER 59 CO 0.60 0.00 -0.83 -0.69 -0.87 0.00 0.00 176.83 175.03 2yrl s VAL 60 N -4.77 1.58 0.34 0.95 1.01 -1.26 -0.75 120.40 117.51 2yrl s VAL 60 Ca -0.05 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.38 2yrl s VAL 60 Cb 0.18 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 2yrl s VAL 60 CO 0.64 0.46 0.11 0.00 0.00 0.00 0.00 175.10 176.30 2yrl s ALA 61 N 1.44 3.41 -0.03 5.51 0.00 -0.92 -4.70 121.76 126.48 2yrl s ALA 61 Ca 0.04 -1.89 0.01 0.00 0.00 0.00 0.00 51.96 50.12 2yrl s ALA 61 Cb -0.13 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.41 2yrl s ALA 61 CO -0.10 0.03 -0.01 0.99 0.00 0.00 0.00 175.76 176.67 2yrl s THR 62 N -2.46 0.20 -0.17 0.00 2.01 -0.50 0.42 115.64 115.13 2yrl s THR 62 Ca 0.37 0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.40 2yrl s THR 62 Cb -0.01 -0.27 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 2yrl s THR 62 CO 0.22 0.14 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.49 2yrl s VAL 63 N 0.85 3.04 0.32 3.82 1.01 -0.37 0.14 120.40 129.21 2yrl s VAL 63 Ca -0.09 -0.63 0.10 0.00 0.00 0.00 0.00 61.98 61.36 2yrl s VAL 63 Cb -0.12 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.88 2yrl s VAL 63 CO -0.01 0.49 -0.14 0.42 0.00 0.00 0.00 175.10 175.86 2yrl s THR 64 N 0.91 2.32 -0.11 3.92 -4.23 -0.06 -1.76 115.64 116.62 2yrl s THR 64 Ca -0.02 -2.28 -0.00 0.00 -1.18 0.00 0.00 61.69 58.20 2yrl s THR 64 Cb -0.15 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.18 2yrl s THR 64 CO -0.00 -0.28 0.04 0.61 -0.54 0.00 0.00 174.62 174.45 2yrl n GLY 65 N -0.72 0.55 3.95 3.99 0.00 -0.74 0.13 105.19 112.34 2yrl n GLY 65 Ca -0.05 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 2yrl n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yrl s LEU 66 N -0.89 2.89 0.05 0.99 1.43 -0.99 -4.17 118.68 118.00 2yrl s LEU 66 Ca 0.02 0.24 -0.27 0.00 -1.03 0.00 0.00 54.13 53.09 2yrl s LEU 66 Cb -0.01 -2.80 0.09 0.00 0.03 0.00 0.00 46.19 43.50 2yrl s LEU 66 CO 0.02 -1.71 0.84 0.00 0.23 0.00 0.00 176.35 175.73 2yrl s GLN 67 N -5.24 0.97 -0.90 1.70 -2.07 -1.26 -4.77 119.66 108.09 2yrl s GLN 67 Ca 0.62 -0.38 -0.27 0.00 -1.82 0.00 0.00 55.36 53.51 2yrl s GLN 67 Cb -0.09 0.43 -0.20 0.00 -1.09 0.00 0.00 33.01 32.05 2yrl s GLN 67 CO 0.45 -0.43 2.40 0.28 -1.32 0.00 0.00 175.29 176.67 2yrl n VAL 68 N -0.30 0.00 -3.19 3.63 0.31 -1.26 -4.66 118.33 112.87 2yrl n VAL 68 Ca -0.10 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2yrl n VAL 68 Cb 0.62 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 2yrl n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2yrl n GLY 69 N 5.80 0.69 3.05 2.92 0.00 -1.24 -5.00 105.19 111.41 2yrl n GLY 69 Ca 0.59 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2yrl n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yrl s THR 70 N -2.03 1.77 -0.18 2.61 2.01 -1.26 -3.07 115.64 115.50 2yrl s THR 70 Ca 0.00 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.18 2yrl s THR 70 Cb 0.00 -1.66 0.00 0.00 0.01 0.00 0.00 72.50 70.85 2yrl s THR 70 CO 0.00 0.44 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.92 2yrl s TYR 71 N 1.40 2.82 -0.26 4.92 1.51 -0.76 -3.59 117.35 123.38 2yrl s TYR 71 Ca 0.04 -1.21 -0.05 0.00 -1.01 0.00 0.00 57.07 54.84 2yrl s TYR 71 Cb -0.13 -1.94 0.00 0.00 -0.11 0.00 0.00 41.96 39.78 2yrl s TYR 71 CO -0.11 -0.60 0.01 0.08 -1.11 0.00 0.00 175.55 173.83 2yrl s VAL 72 N 1.10 3.58 -0.21 0.71 1.01 -0.53 -1.18 120.40 124.88 2yrl s VAL 72 Ca 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 2yrl s VAL 72 Cb -0.14 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 2yrl s VAL 72 CO -0.05 0.23 -0.08 -0.36 0.00 0.00 0.00 175.10 174.84 2yrl s PHE 73 N 1.46 2.92 -0.40 5.22 0.08 -1.17 0.21 117.98 126.30 2yrl s PHE 73 Ca 0.03 -1.12 -0.17 0.00 0.12 0.00 0.00 56.93 55.79 2yrl s PHE 73 Cb -0.16 -2.06 0.01 0.00 -0.57 0.00 0.00 43.02 40.24 2yrl s PHE 73 CO -0.01 -0.62 0.42 0.99 -0.10 0.00 0.00 175.22 175.91 2yrl s THR 74 N 1.43 5.10 -0.60 0.64 2.01 -0.26 -2.33 115.64 121.63 2yrl s THR 74 Ca 0.05 -0.26 -0.27 0.00 0.31 0.00 0.00 61.69 61.52 2yrl s THR 74 Cb -0.14 -4.00 0.03 0.00 0.01 0.00 0.00 72.50 68.41 2yrl s THR 74 CO -0.06 -0.35 1.15 -0.22 -0.69 0.00 0.00 174.62 174.45 2yrl s LEU 75 N 2.12 3.56 -0.27 4.42 2.96 1.00 -3.52 118.68 128.95 2yrl s LEU 75 Ca 0.12 -0.11 -0.19 0.00 -0.22 0.00 0.00 54.13 53.73 2yrl s LEU 75 Cb -0.17 -2.98 -0.02 0.00 0.50 0.00 0.00 46.19 43.52 2yrl s LEU 75 CO 0.13 -1.49 0.55 -0.89 -1.32 0.00 0.00 176.35 173.33 2yrl s THR 76 N 4.86 5.03 0.21 3.68 2.01 -0.70 -1.40 115.64 129.34 2yrl s THR 76 Ca 0.39 0.90 0.08 0.00 0.31 0.00 0.00 61.69 63.37 2yrl s THR 76 Cb -0.09 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 2yrl s THR 76 CO 0.22 0.03 -0.15 0.68 -0.69 0.00 0.00 174.62 174.71 2yrl s VAL 77 N 2.39 1.82 -0.08 3.82 -7.23 -0.74 -1.72 120.40 118.66 2yrl s VAL 77 Ca 0.23 -2.22 -0.05 0.00 -1.81 0.00 0.00 61.98 58.13 2yrl s VAL 77 Cb -0.15 -2.06 0.04 0.00 0.56 0.00 0.00 36.38 34.76 2yrl s VAL 77 CO 0.09 -0.56 0.20 -0.54 -0.31 0.00 0.00 175.10 173.98 2yrl s LYS 78 N -3.58 0.17 0.65 4.82 1.02 -1.25 -2.62 119.74 118.95 2yrl s LYS 78 Ca 0.23 0.42 -0.06 0.00 0.02 0.00 0.00 55.97 56.58 2yrl s LYS 78 Cb -0.02 -0.09 0.14 0.00 -0.52 0.00 0.00 37.83 37.34 2yrl s LYS 78 CO 0.08 -0.13 0.89 -0.25 -0.92 0.00 0.00 175.35 175.01 2yrl n ASP 79 N 3.94 0.64 0.28 2.83 8.00 -1.21 -3.60 116.55 127.43 2yrl n ASP 79 Ca -0.23 -1.67 0.15 0.00 0.71 0.00 0.00 54.79 53.75 2yrl n ASP 79 Cb 0.54 -0.63 0.89 0.00 -0.02 0.00 0.00 41.12 41.90 2yrl n ASP 79 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2yrl h GLU 80 N 0.00 0.00 -0.97 -1.24 4.57 -1.95 -0.70 114.58 114.29 2yrl h GLU 80 Ca -0.29 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.67 2yrl h GLU 80 Cb 0.94 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.40 2yrl h GLU 80 CO 0.26 0.00 0.27 0.54 -1.18 0.00 0.00 179.01 178.90 2yrl n ARG 81 N -3.87 1.80 -1.93 1.92 5.12 -1.26 -4.84 116.66 113.61 2yrl n ARG 81 Ca -0.02 -1.47 -0.06 0.00 -1.93 0.00 0.00 57.85 54.37 2yrl n ARG 81 Cb 0.13 -1.62 -0.01 0.00 -1.16 0.00 0.00 32.46 29.80 2yrl n ARG 81 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2yrl n ASN 82 N -0.21 -2.09 -4.67 0.55 5.15 -0.27 -4.82 115.26 108.91 2yrl n ASN 82 Ca 0.27 0.27 -0.42 0.00 -0.60 0.00 0.00 54.58 54.09 2yrl n ASN 82 Cb 1.02 -1.99 -0.03 0.00 -0.53 0.00 0.00 39.78 38.25 2yrl n ASN 82 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2yrl s LEU 83 N -4.26 4.32 -0.27 1.20 1.43 -1.25 -4.83 118.68 115.01 2yrl s LEU 83 Ca 0.00 2.24 -0.23 0.00 -1.03 0.00 0.00 54.13 55.11 2yrl s LEU 83 Cb 0.00 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.67 2yrl s LEU 83 CO 0.00 -0.90 0.75 -1.58 0.23 0.00 0.00 176.35 174.85 2yrl s GLN 84 N 3.70 4.08 -0.27 1.70 0.74 -1.26 -3.28 119.66 125.07 2yrl s GLN 84 Ca 0.72 0.70 -0.10 0.00 0.05 0.00 0.00 55.36 56.72 2yrl s GLN 84 Cb -0.34 -3.68 0.11 0.00 1.10 0.00 0.00 33.01 30.21 2yrl s GLN 84 CO 0.29 -0.54 0.61 -1.54 -0.55 0.00 0.00 175.29 173.56 2yrl s SER 85 N 1.47 -0.94 0.30 6.67 1.04 -1.08 -5.07 113.70 116.09 2yrl s SER 85 Ca 0.31 1.44 0.05 0.00 0.48 0.00 0.00 55.95 58.23 2yrl s SER 85 Cb -0.15 1.97 -0.06 0.00 0.10 0.00 0.00 66.02 67.88 2yrl s SER 85 CO 0.09 -0.22 0.02 0.00 0.98 0.00 0.00 173.24 174.11 2yrl s GLN 86 N 2.64 1.57 -0.03 4.02 -2.07 -1.26 -1.80 119.66 122.73 2yrl s GLN 86 Ca -0.06 -1.84 -0.01 0.00 -1.82 0.00 0.00 55.36 51.63 2yrl s GLN 86 Cb -0.11 -0.91 0.02 0.00 -1.09 0.00 0.00 33.01 30.93 2yrl s GLN 86 CO -0.18 -0.11 0.06 -1.54 -1.32 0.00 0.00 175.29 172.21 2yrl s SER 87 N -3.44 -0.01 -0.03 12.60 1.04 -0.49 -4.70 113.70 118.66 2yrl s SER 87 Ca 0.33 0.12 -0.05 0.00 0.48 0.00 0.00 55.95 56.84 2yrl s SER 87 Cb 0.07 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 2yrl s SER 87 CO 0.13 -0.10 0.19 -0.94 0.98 0.00 0.00 173.24 173.51 2yrl s SER 88 N 0.75 6.41 0.03 7.02 1.04 -1.26 -0.00 113.70 127.68 2yrl s SER 88 Ca -0.06 0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.84 2yrl s SER 88 Cb -0.08 -2.04 -0.02 0.00 0.10 0.00 0.00 66.02 63.98 2yrl s SER 88 CO -0.03 0.29 -0.14 0.54 0.98 0.00 0.00 173.24 174.88 2yrl s VAL 89 N -1.25 1.13 -0.25 5.02 0.11 -0.98 -4.92 120.40 119.26 2yrl s VAL 89 Ca 0.25 -0.90 -0.17 0.00 -2.93 0.00 0.00 61.98 58.23 2yrl s VAL 89 Cb -0.13 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.69 2yrl s VAL 89 CO 0.15 0.09 0.48 0.20 -3.33 0.00 0.00 175.10 172.69 2yrl s ASN 90 N -0.92 6.42 -0.37 3.54 -0.87 -1.26 -3.03 114.94 118.45 2yrl s ASN 90 Ca 0.03 0.50 -0.03 0.00 -1.57 0.00 0.00 52.86 51.79 2yrl s ASN 90 Cb -0.07 -2.26 0.08 0.00 -0.02 0.00 0.00 41.25 38.98 2yrl s ASN 90 CO 0.01 -0.23 0.13 -0.69 -2.57 0.00 0.00 177.10 173.75 2yrl s VAL 91 N 2.07 3.29 -0.11 1.60 1.01 -0.33 -1.62 120.40 126.31 2yrl s VAL 91 Ca 0.20 -1.72 -0.10 0.00 0.00 0.00 0.00 61.98 60.36 2yrl s VAL 91 Cb -0.16 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2yrl s VAL 91 CO 0.09 -0.45 0.23 -0.63 0.00 0.00 0.00 175.10 174.34 2yrl s ILE 92 N 1.22 5.35 -0.25 2.22 1.01 0.28 -1.83 121.20 129.20 2yrl s ILE 92 Ca 0.03 0.41 0.01 0.00 0.00 0.00 0.00 60.65 61.11 2yrl s ILE 92 Cb -0.21 -3.52 0.05 0.00 0.01 0.00 0.00 42.46 38.78 2yrl s ILE 92 CO -0.02 0.55 -0.10 -0.69 0.00 0.00 0.00 174.94 174.67 2yrl s VAL 93 N -0.60 2.38 0.41 2.92 1.01 -1.17 -1.41 120.40 123.94 2yrl s VAL 93 Ca 0.16 -1.40 0.06 0.00 0.00 0.00 0.00 61.98 60.80 2yrl s VAL 93 Cb -0.13 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.95 2yrl s VAL 93 CO 0.05 0.08 0.58 -0.54 0.00 0.00 0.00 175.10 175.27 2yrl s LYS 94 N 1.19 2.92 0.64 2.72 1.02 0.10 -3.68 119.74 124.65 2yrl s LYS 94 Ca -0.05 -1.00 -0.07 0.00 0.02 0.00 0.00 55.97 54.88 2yrl s LYS 94 Cb -0.18 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.43 2yrl s LYS 94 CO -0.06 -0.21 0.96 -1.21 -0.92 0.00 0.00 175.35 173.91 2yrl s GLU 95 N -4.37 2.71 0.62 1.68 2.02 -1.26 -1.34 118.70 118.76 2yrl s GLU 95 Ca 0.51 -0.01 -0.18 0.00 0.02 0.00 0.00 54.97 55.31 2yrl s GLU 95 Cb -0.10 -2.21 -0.05 0.00 0.10 0.00 0.00 34.13 31.88 2yrl s GLU 95 CO 0.34 -0.90 0.89 -1.91 0.02 0.00 0.00 175.26 173.69 2yrl n GLU 96 N -2.74 0.76 -4.39 1.61 2.13 -1.25 -4.47 120.64 112.28 2yrl n GLU 96 Ca 0.06 0.30 -0.19 0.00 0.66 0.00 0.00 57.16 57.98 2yrl n GLU 96 Cb 0.58 -2.10 -0.10 0.00 0.27 0.00 0.00 31.44 30.09 2yrl n GLU 96 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2yrl s SER 97 N -1.31 1.87 0.00 4.31 0.01 -1.26 -5.02 113.70 112.30 2yrl s SER 97 Ca 0.75 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 56.62 2yrl s SER 97 Cb -0.41 0.03 0.00 0.00 0.21 0.00 0.00 66.02 65.85 2yrl s SER 97 CO 0.48 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2yrl n GLY 98 N -0.59 -1.82 3.77 3.44 0.00 -1.26 -4.98 105.19 103.74 2yrl n GLY 98 Ca -0.01 -1.91 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 2yrl n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yrl s PRO 99 N 0.00 2.94 0.16 1.61 0.04 -1.26 -5.06 135.00 133.43 2yrl s PRO 99 Ca 0.00 1.45 0.06 0.00 0.04 0.00 0.00 61.00 62.55 2yrl s PRO 99 Cb 0.00 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 2yrl s PRO 99 CO 0.00 -1.15 0.07 -1.12 0.04 0.00 0.00 177.00 174.84 2yrl s SER 100 N -2.38 5.18 -0.29 6.66 0.01 -1.26 -5.11 113.70 116.52 2yrl s SER 100 Ca 0.68 -0.24 -0.01 0.00 1.31 0.00 0.00 55.95 57.70 2yrl s SER 100 Cb -0.21 -1.25 0.05 0.00 0.21 0.00 0.00 66.02 64.82 2yrl s SER 100 CO 0.38 0.09 -0.03 -0.44 0.41 0.00 0.00 173.24 173.65 2yrl s SER 101 N -2.97 4.78 0.00 2.44 0.01 -1.26 -5.30 113.70 111.40 2yrl s SER 101 Ca 0.29 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.24 2yrl s SER 101 Cb -0.10 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.46 2yrl s SER 101 CO 0.21 -0.24 0.22 0.61 0.41 0.00 0.00 173.24 174.44