#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yrl n SER 2 N 0.00 2.71 -4.21 1.61 2.88 -1.26 -2.15 113.62 113.20 2yrl n SER 2 Ca 0.00 0.06 -0.35 0.00 -1.33 0.00 0.00 58.87 57.25 2yrl n SER 2 Cb 0.00 -1.49 -0.03 0.00 -0.75 0.00 0.00 64.21 61.94 2yrl n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yrl n SER 3 N 12.38 -2.61 0.00 -3.46 3.41 -1.26 -4.91 113.62 117.17 2yrl n SER 3 Ca 0.35 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.92 2yrl n SER 3 Cb 0.42 -2.67 0.00 0.00 -0.26 0.00 0.00 64.21 61.69 2yrl n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yrl n GLY 4 N -1.51 0.40 3.55 5.00 0.00 -0.91 -4.90 105.19 106.81 2yrl n GLY 4 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2yrl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yrl s SER 5 N -0.83 4.35 0.09 1.61 0.01 -1.26 -4.82 113.70 112.85 2yrl s SER 5 Ca 0.00 0.62 -0.27 0.00 1.31 0.00 0.00 55.95 57.61 2yrl s SER 5 Cb 0.00 -2.52 -0.14 0.00 0.21 0.00 0.00 66.02 63.56 2yrl s SER 5 CO 0.00 -3.16 1.67 0.28 0.41 0.00 0.00 173.24 172.44 2yrl h SER 6 N 16.74 -0.46 -3.22 2.44 0.02 -1.91 -3.42 113.55 123.74 2yrl h SER 6 Ca -0.15 0.03 -0.59 0.00 -0.84 0.00 0.00 61.79 60.24 2yrl h SER 6 Cb 1.16 0.14 -0.09 0.00 0.14 0.00 0.00 62.40 63.76 2yrl h SER 6 CO 1.12 -0.29 -0.26 -0.83 -1.14 0.00 0.00 176.83 175.42 2yrl s GLY 7 N -2.21 2.30 0.64 -3.77 0.00 -1.20 -4.90 107.32 98.18 2yrl s GLY 7 Ca -0.15 -0.36 0.30 0.00 0.00 0.00 0.00 44.72 44.51 2yrl s GLY 7 CO 0.64 0.43 1.95 -1.61 0.00 0.00 0.00 173.10 174.52 2yrl h GLN 8 N 6.28 0.00 -6.13 2.90 5.75 -1.82 -3.42 115.11 118.67 2yrl h GLN 8 Ca -0.43 0.00 -0.70 0.00 -0.15 0.00 0.00 58.65 57.36 2yrl h GLN 8 Cb 1.18 0.00 0.08 0.00 1.07 0.00 0.00 27.48 29.81 2yrl h GLN 8 CO 0.72 0.00 -0.02 0.00 -2.65 0.00 0.00 178.83 176.89 2yrl n ALA 9 N -2.06 -2.31 -3.69 3.38 0.00 -1.26 -4.49 120.51 110.08 2yrl n ALA 9 Ca 0.01 0.50 -0.38 0.00 0.00 0.00 0.00 53.44 53.58 2yrl n ALA 9 Cb 0.43 -1.82 -0.10 0.00 0.00 0.00 0.00 19.45 17.96 2yrl n ALA 9 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2yrl s ASP 10 N -0.27 5.40 -0.19 0.00 -1.08 -1.26 -4.43 116.67 114.83 2yrl s ASP 10 Ca 0.77 -2.43 0.01 0.00 -0.52 0.00 0.00 52.55 50.38 2yrl s ASP 10 Cb -1.01 -1.89 0.25 0.00 -1.46 0.00 0.00 42.92 38.81 2yrl s ASP 10 CO 0.55 -0.49 1.47 0.00 0.52 0.00 0.00 175.17 177.22 2yrl n ALA 11 N 4.10 3.94 -1.39 3.66 0.00 -1.26 -4.46 120.51 125.09 2yrl n ALA 11 Ca 0.02 -1.20 0.17 0.00 0.00 0.00 0.00 53.44 52.43 2yrl n ALA 11 Cb 0.40 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.05 -2.80 3.05 0.00 0.00 -1.26 -4.71 105.19 99.41 2yrl n GLY 12 Ca 0.24 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 2yrl n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yrl n PRO 13 N -4.21 -2.89 -1.50 1.61 -0.04 -1.26 -4.88 135.00 121.83 2yrl n PRO 13 Ca -0.07 -1.52 -0.43 0.00 -0.04 0.00 0.00 63.50 61.44 2yrl n PRO 13 Cb 0.65 -1.43 -0.00 0.00 -0.04 0.00 0.00 33.50 32.68 2yrl n PRO 13 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2yrl n ASP 14 N -4.64 -0.07 -4.25 3.54 5.75 -1.26 -4.81 116.55 110.81 2yrl n ASP 14 Ca 0.13 1.03 -0.35 0.00 -0.01 0.00 0.00 54.79 55.59 2yrl n ASP 14 Cb 0.51 -1.17 -0.14 0.00 -1.03 0.00 0.00 41.12 39.29 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 -1.55 3.18 -0.13 0.11 -0.14 -0.03 -5.02 119.74 116.15 2yrl s LYS 15 Ca 0.62 -0.75 0.03 0.00 -1.36 0.00 0.00 55.97 54.51 2yrl s LYS 15 Cb -0.67 -2.92 0.01 0.00 -1.68 0.00 0.00 37.83 32.57 2yrl s LYS 15 CO 0.58 -0.25 -0.22 -2.00 -0.76 0.00 0.00 175.35 172.70 2yrl s GLU 16 N 1.41 3.05 0.06 1.68 -6.30 -1.26 -0.09 118.70 117.25 2yrl s GLU 16 Ca 0.04 -0.85 0.07 0.00 -2.50 0.00 0.00 54.97 51.73 2yrl s GLU 16 Cb -0.15 -2.41 -0.03 0.00 0.00 0.00 0.00 34.13 31.54 2yrl s GLU 16 CO -0.05 0.05 -0.19 -0.51 0.02 0.00 0.00 175.26 174.57 2yrl s LEU 17 N 0.67 2.21 -0.11 2.70 1.43 -0.33 -5.00 118.68 120.25 2yrl s LEU 17 Ca -0.10 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 2yrl s LEU 17 Cb -0.16 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.22 2yrl s LEU 17 CO 0.01 0.10 -0.11 -0.89 0.23 0.00 0.00 176.35 175.69 2yrl s THR 18 N -0.94 1.21 0.91 5.49 2.01 -1.26 -0.43 115.64 122.63 2yrl s THR 18 Ca 0.06 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.46 2yrl s THR 18 Cb -0.09 -1.17 -0.08 0.00 0.01 0.00 0.00 72.50 71.17 2yrl s THR 18 CO 0.02 0.39 -0.24 0.18 -0.69 0.00 0.00 174.62 174.29 2yrl n LEU 19 N 4.60 -3.35 0.00 4.42 7.99 0.48 -2.35 117.00 128.78 2yrl n LEU 19 Ca -0.16 0.32 0.07 0.00 -0.01 0.00 0.00 56.01 56.22 2yrl n LEU 19 Cb 0.50 -0.95 0.33 0.00 -0.11 0.00 0.00 43.42 43.19 2yrl n LEU 19 CO 0.20 -4.90 0.72 -0.81 -1.51 0.00 0.00 177.39 171.09 2yrl n PRO 20 N 0.82 0.07 -1.34 3.23 -0.04 -1.26 -4.36 135.00 132.11 2yrl n PRO 20 Ca 0.03 0.22 -0.59 0.00 -0.04 0.00 0.00 63.50 63.12 2yrl n PRO 20 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.43 0.04 -2.08 0.52 0.31 -0.99 -4.80 118.33 109.91 2yrl n VAL 21 Ca 0.05 -0.05 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 2yrl n VAL 21 Cb 0.15 -0.72 0.10 0.00 -0.91 0.00 0.00 33.84 32.46 2yrl n VAL 21 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2yrl n ASP 22 N 7.54 2.17 -3.67 4.52 5.68 -1.26 -4.44 116.55 127.08 2yrl n ASP 22 Ca 0.50 -3.15 -0.12 0.00 -0.50 0.00 0.00 54.79 51.52 2yrl n ASP 22 Cb 0.01 -0.43 -0.08 0.00 -1.14 0.00 0.00 41.12 39.48 2yrl n ASP 22 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2yrl s SER 23 N -3.07 -0.65 0.24 -1.12 1.04 -1.26 -2.21 113.70 106.68 2yrl s SER 23 Ca 0.38 1.19 0.02 0.00 0.48 0.00 0.00 55.95 58.02 2yrl s SER 23 Cb 0.38 1.17 -0.04 0.00 0.10 0.00 0.00 66.02 67.63 2yrl s SER 23 CO -0.07 -0.21 0.18 0.28 0.98 0.00 0.00 173.24 174.41 2yrl s THR 24 N 0.64 0.00 -0.12 2.02 -1.32 -1.02 -5.02 115.64 110.82 2yrl s THR 24 Ca -0.03 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.46 2yrl s THR 24 Cb -0.05 -2.50 0.02 0.00 -1.51 0.00 0.00 72.50 68.46 2yrl s THR 24 CO -0.04 0.00 -0.12 0.42 -2.21 0.00 0.00 174.62 172.67 2yrl s THR 25 N -3.92 1.29 -0.92 5.08 -4.23 -1.26 -2.32 115.64 109.35 2yrl s THR 25 Ca 0.39 -0.48 -0.12 0.00 -1.18 0.00 0.00 61.69 60.30 2yrl s THR 25 Cb 0.05 -1.23 0.24 0.00 1.34 0.00 0.00 72.50 72.90 2yrl s THR 25 CO 0.17 0.41 0.88 -0.76 -0.54 0.00 0.00 174.62 174.78 2yrl s LEU 26 N 1.35 6.62 -0.09 4.79 1.43 -0.59 -4.98 118.68 127.21 2yrl s LEU 26 Ca -0.00 -3.00 -0.27 0.00 -1.03 0.00 0.00 54.13 49.82 2yrl s LEU 26 Cb -0.14 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 2yrl s LEU 26 CO -0.06 -0.47 0.89 -0.62 0.23 0.00 0.00 176.35 176.32 2yrl s ASP 27 N 1.87 7.14 -0.27 2.29 -1.08 -1.26 -2.90 116.67 122.46 2yrl s ASP 27 Ca 0.22 1.40 0.12 0.00 -0.52 0.00 0.00 52.55 53.77 2yrl s ASP 27 Cb -0.10 -2.50 0.47 0.00 -1.46 0.00 0.00 42.92 39.33 2yrl s ASP 27 CO -0.09 -0.33 1.17 0.61 0.52 0.00 0.00 175.17 177.06 2yrl n GLY 28 N 3.15 5.02 0.17 2.66 0.00 -0.67 -4.45 105.19 111.07 2yrl n GLY 28 Ca 0.05 -2.13 0.05 0.00 0.00 0.00 0.00 46.02 43.99 2yrl n GLY 28 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2yrl h SER 29 N 2.19 0.00 -0.94 1.61 0.87 -1.86 -3.32 113.55 112.11 2yrl h SER 29 Ca 0.20 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.25 2yrl h SER 29 Cb 1.45 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.26 2yrl h SER 29 CO 0.55 0.38 0.74 0.29 -0.53 0.00 0.00 176.83 178.26 2yrl n LYS 30 N -3.24 2.78 -3.01 2.24 5.02 -1.26 -4.86 118.16 115.82 2yrl n LYS 30 Ca 0.02 -2.39 -0.44 0.00 -2.02 0.00 0.00 58.31 53.47 2yrl n LYS 30 Cb 0.65 -2.23 -0.02 0.00 -0.02 0.00 0.00 35.03 33.41 2yrl n LYS 30 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2yrl s SER 31 N 0.58 6.78 0.09 4.39 1.04 -1.25 -4.69 113.70 120.64 2yrl s SER 31 Ca 0.59 -2.43 -0.36 0.00 0.48 0.00 0.00 55.95 54.24 2yrl s SER 31 Cb 0.34 -2.36 -0.18 0.00 0.10 0.00 0.00 66.02 63.92 2yrl s SER 31 CO -0.17 -0.88 1.08 -0.24 0.98 0.00 0.00 173.24 174.01 2yrl n SER 32 N 5.76 0.54 -3.59 7.02 2.88 -1.26 -4.91 113.62 120.05 2yrl n SER 32 Ca 0.25 1.14 -0.05 0.00 -1.33 0.00 0.00 58.87 58.88 2yrl n SER 32 Cb 0.47 -1.06 -0.03 0.00 -0.75 0.00 0.00 64.21 62.84 2yrl n SER 32 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2yrl s ASP 33 N -0.03 -0.18 0.03 -3.46 2.15 -1.26 -4.81 116.67 109.11 2yrl s ASP 33 Ca 0.81 0.09 -0.23 0.00 0.43 0.00 0.00 52.55 53.65 2yrl s ASP 33 Cb -1.05 0.17 -0.16 0.00 -0.30 0.00 0.00 42.92 41.59 2yrl s ASP 33 CO 0.53 -0.24 1.40 -0.78 -0.17 0.00 0.00 175.17 175.91 2yrl h ASP 34 N 2.12 0.18 -3.64 -0.34 3.58 -2.05 -3.43 116.42 112.84 2yrl h ASP 34 Ca -0.12 -0.38 -0.67 0.00 0.42 0.00 0.00 57.03 56.28 2yrl h ASP 34 Cb 1.18 -0.05 -0.25 0.00 1.72 0.00 0.00 39.33 41.92 2yrl h ASP 34 CO 0.25 0.52 -0.77 -1.10 -2.88 0.00 0.00 179.24 175.26 2yrl s GLN 35 N -4.68 2.98 0.24 0.28 -0.21 -1.26 -5.08 119.66 111.94 2yrl s GLN 35 Ca -0.15 -0.69 -0.27 0.00 0.02 0.00 0.00 55.36 54.28 2yrl s GLN 35 Cb 0.04 -2.52 -0.17 0.00 1.00 0.00 0.00 33.01 31.37 2yrl s GLN 35 CO 0.71 0.40 0.46 1.17 -2.12 0.00 0.00 175.29 175.91 2yrl n LYS 36 N 2.96 0.07 -2.89 2.91 4.81 -1.26 -4.80 118.16 119.96 2yrl n LYS 36 Ca -0.18 0.02 -0.42 0.00 -0.87 0.00 0.00 58.31 56.87 2yrl n LYS 36 Cb 0.52 -1.04 -0.04 0.00 0.02 0.00 0.00 35.03 34.49 2yrl n LYS 36 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2yrl s ILE 37 N -1.13 4.85 -0.48 3.15 -1.09 -1.26 -4.48 121.20 120.75 2yrl s ILE 37 Ca 0.63 1.59 0.03 0.00 -2.23 0.00 0.00 60.65 60.67 2yrl s ILE 37 Cb -0.86 -4.12 0.55 0.00 -1.58 0.00 0.00 42.46 36.44 2yrl s ILE 37 CO 0.57 -0.04 1.82 2.30 -1.23 0.00 0.00 174.94 178.36 2yrl n ILE 38 N 5.10 3.17 -3.61 2.92 -5.35 -1.13 -4.93 119.36 115.53 2yrl n ILE 38 Ca 0.05 -2.59 -0.14 0.00 -0.27 0.00 0.00 62.75 59.80 2yrl n ILE 38 Cb 0.48 -0.72 -0.07 0.00 -1.74 0.00 0.00 39.64 37.59 2yrl n ILE 38 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2yrl s SER 39 N -1.88 -0.72 -0.15 7.28 0.15 -1.23 -4.95 113.70 112.19 2yrl s SER 39 Ca 0.57 1.30 -0.11 0.00 0.70 0.00 0.00 55.95 58.40 2yrl s SER 39 Cb 0.47 1.28 0.05 0.00 -1.71 0.00 0.00 66.02 66.11 2yrl s SER 39 CO 0.04 -0.30 0.39 -0.31 1.20 0.00 0.00 173.24 174.26 2yrl s TYR 40 N 0.11 -0.50 -0.01 3.44 2.02 -1.26 -3.94 117.35 117.21 2yrl s TYR 40 Ca -0.02 1.13 -0.05 0.00 -0.37 0.00 0.00 57.07 57.77 2yrl s TYR 40 Cb -0.04 0.19 0.00 0.00 -0.40 0.00 0.00 41.96 41.71 2yrl s TYR 40 CO 0.02 -0.26 0.11 -1.17 -1.57 0.00 0.00 175.55 172.67 2yrl s LEU 41 N 0.76 1.65 -0.09 -1.29 2.96 -1.12 -4.18 118.68 117.36 2yrl s LEU 41 Ca -0.04 -0.09 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 2yrl s LEU 41 Cb -0.05 0.50 0.04 0.00 0.50 0.00 0.00 46.19 47.18 2yrl s LEU 41 CO -0.05 -0.24 0.06 0.26 -1.32 0.00 0.00 176.35 175.05 2yrl s TRP 42 N -0.88 0.26 0.03 5.38 0.52 -0.75 -3.01 118.94 120.48 2yrl s TRP 42 Ca -0.10 -0.03 -0.04 0.00 0.02 0.00 0.00 56.10 55.96 2yrl s TRP 42 Cb -0.06 -0.62 -0.01 0.00 -1.15 0.00 0.00 33.47 31.63 2yrl s TRP 42 CO 0.01 -0.32 0.06 -1.21 0.02 0.00 0.00 176.95 175.50 2yrl s GLU 43 N 2.11 0.50 -0.44 4.98 0.41 -1.20 -4.81 118.70 120.25 2yrl s GLU 43 Ca 0.04 -0.70 -0.23 0.00 -0.41 0.00 0.00 54.97 53.67 2yrl s GLU 43 Cb -0.13 0.19 0.02 0.00 -1.78 0.00 0.00 34.13 32.43 2yrl s GLU 43 CO -0.05 -0.11 0.78 0.21 -0.49 0.00 0.00 175.26 175.60 2yrl s LYS 44 N -2.20 3.42 -0.05 1.61 2.20 -1.26 -1.61 119.74 121.84 2yrl s LYS 44 Ca -0.09 -0.09 -0.24 0.00 -0.36 0.00 0.00 55.97 55.19 2yrl s LYS 44 Cb -0.04 -3.93 -0.24 0.00 -1.51 0.00 0.00 37.83 32.11 2yrl s LYS 44 CO -0.03 -1.10 1.02 1.79 -0.36 0.00 0.00 175.35 176.67 2yrl h THR 45 N 5.96 1.54 -4.68 3.43 1.35 0.08 -3.48 112.91 117.11 2yrl h THR 45 Ca -0.25 -2.01 -0.49 0.00 -0.55 0.00 0.00 66.41 63.11 2yrl h THR 45 Cb 1.09 2.80 -0.11 0.00 -1.73 0.00 0.00 68.15 70.20 2yrl h THR 45 CO 0.96 0.56 -0.41 0.00 -0.25 0.00 0.00 175.52 176.38 2yrl n GLN 46 N -4.45 0.66 0.00 4.72 6.02 -1.07 -4.99 117.38 118.26 2yrl n GLN 46 Ca -0.10 -3.01 0.00 0.00 -0.01 0.00 0.00 57.00 53.87 2yrl n GLN 46 Cb 0.54 1.55 0.00 0.00 1.02 0.00 0.00 30.24 33.36 2yrl n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yrl n GLY 47 N -0.37 0.67 3.77 1.08 0.00 -1.25 -3.00 105.19 106.08 2yrl n GLY 47 Ca -0.06 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.03 4.19 0.65 1.61 0.04 -1.25 -5.01 135.00 133.20 2yrl s PRO 48 Ca 0.00 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 2yrl s PRO 48 Cb 0.00 -2.83 -0.02 0.00 0.04 0.00 0.00 34.50 31.69 2yrl s PRO 48 CO 0.00 -0.24 1.05 0.16 0.04 0.00 0.00 177.00 178.02 2yrl s ASP 49 N -0.93 5.94 0.00 6.66 -4.77 -1.26 -4.50 116.67 117.82 2yrl s ASP 49 Ca 0.54 1.31 0.00 0.00 -3.30 0.00 0.00 52.55 51.10 2yrl s ASP 49 Cb -0.33 -2.27 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 2yrl s ASP 49 CO 0.43 -1.05 0.00 0.61 0.70 0.00 0.00 175.17 175.86 2yrl n GLY 50 N -2.84 3.59 3.13 2.12 0.00 -1.26 -5.11 105.19 104.82 2yrl n GLY 50 Ca 0.06 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.84 1.61 0.24 -1.26 -4.97 118.33 110.12 2yrl n VAL 51 Ca 0.00 -0.18 -0.27 0.00 -2.04 0.00 0.00 64.34 61.85 2yrl n VAL 51 Cb 0.00 -0.27 -0.17 0.00 -1.47 0.00 0.00 33.84 31.93 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 -2.65 1.10 -0.19 7.34 -0.21 0.86 -4.95 119.66 120.96 2yrl s GLN 52 Ca 0.45 -0.30 -0.14 0.00 0.02 0.00 0.00 55.36 55.40 2yrl s GLN 52 Cb -0.03 -1.70 -0.04 0.00 1.00 0.00 0.00 33.01 32.23 2yrl s GLN 52 CO 0.68 -0.41 0.29 -0.51 -2.12 0.00 0.00 175.29 173.23 2yrl s LEU 53 N 1.77 4.19 -0.05 2.90 1.43 -1.26 -0.90 118.68 126.77 2yrl s LEU 53 Ca 0.02 0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 2yrl s LEU 53 Cb -0.14 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 2yrl s LEU 53 CO -0.07 0.04 -0.15 -1.61 0.23 0.00 0.00 176.35 174.79 2yrl s GLU 54 N 0.86 2.47 -1.77 1.70 8.01 0.23 -4.56 118.70 125.64 2yrl s GLU 54 Ca 0.15 -0.71 0.00 0.00 0.01 0.00 0.00 54.97 54.42 2yrl s GLU 54 Cb -0.14 -2.36 0.00 0.00 -4.31 0.00 0.00 34.13 27.33 2yrl s GLU 54 CO 0.05 0.62 0.00 0.09 0.01 0.00 0.00 175.26 176.03 2yrl n ASN 55 N 2.30 -5.48 0.06 -0.19 3.02 -1.26 -1.78 115.26 111.93 2yrl n ASN 55 Ca -0.17 0.13 0.21 0.00 -0.03 0.00 0.00 54.58 54.72 2yrl n ASN 55 Cb 0.52 -4.57 0.74 0.00 -0.61 0.00 0.00 39.78 35.86 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 0.64 2.21 -0.39 5.41 0.00 -1.84 0.11 119.26 125.41 2yrl h ALA 56 Ca -0.44 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.24 2yrl h ALA 56 Cb 1.31 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 19.02 2yrl h ALA 56 CO 0.55 -0.68 0.27 0.09 0.00 0.00 0.00 179.25 179.48 2yrl n ASN 57 N -3.83 3.85 -4.13 0.00 4.13 -1.26 -1.81 115.26 112.22 2yrl n ASN 57 Ca 0.08 -2.68 -0.09 0.00 1.68 0.00 0.00 54.58 53.57 2yrl n ASN 57 Cb 0.64 -0.72 -0.10 0.00 -1.54 0.00 0.00 39.78 38.06 2yrl n ASN 57 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2yrl s SER 58 N 0.19 0.36 0.46 6.41 0.01 0.37 -4.83 113.70 116.67 2yrl s SER 58 Ca 0.23 -1.14 0.18 0.00 1.31 0.00 0.00 55.95 56.53 2yrl s SER 58 Cb 0.19 0.27 1.15 0.00 0.21 0.00 0.00 66.02 67.84 2yrl s SER 58 CO 0.03 -0.69 1.97 0.77 0.41 0.00 0.00 173.24 175.73 2yrl h SER 59 N 2.95 0.26 -3.27 2.44 4.64 -1.89 -3.39 113.55 115.29 2yrl h SER 59 Ca -0.35 0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.31 2yrl h SER 59 Cb 1.18 -0.04 -0.32 0.00 -0.31 0.00 0.00 62.40 62.91 2yrl h SER 59 CO 0.61 0.15 -0.84 -0.69 -0.87 0.00 0.00 176.83 175.18 2yrl s VAL 60 N -5.28 2.33 0.31 0.95 1.01 -1.26 -1.66 120.40 116.79 2yrl s VAL 60 Ca -0.07 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.11 2yrl s VAL 60 Cb 0.20 -1.94 -0.06 0.00 0.00 0.00 0.00 36.38 34.58 2yrl s VAL 60 CO 0.75 0.54 -0.11 0.00 0.00 0.00 0.00 175.10 176.28 2yrl s ALA 61 N 0.63 2.93 -0.09 5.51 0.00 -1.14 -4.69 121.76 124.91 2yrl s ALA 61 Ca -0.10 -1.95 -0.00 0.00 0.00 0.00 0.00 51.96 49.91 2yrl s ALA 61 Cb -0.16 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.73 2yrl s ALA 61 CO 0.02 0.17 -0.06 0.99 0.00 0.00 0.00 175.76 176.89 2yrl s THR 62 N -2.53 0.81 -0.29 0.00 2.01 -0.73 -1.55 115.64 113.36 2yrl s THR 62 Ca 0.32 -0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.06 2yrl s THR 62 Cb -0.02 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 2yrl s THR 62 CO 0.17 0.32 0.12 -0.69 -0.69 0.00 0.00 174.62 173.85 2yrl s VAL 63 N 1.62 4.49 0.25 3.82 1.01 -0.98 -0.60 120.40 130.01 2yrl s VAL 63 Ca 0.02 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 61.76 2yrl s VAL 63 Cb -0.13 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2yrl s VAL 63 CO -0.06 0.16 -0.09 0.42 0.00 0.00 0.00 175.10 175.53 2yrl s THR 64 N 1.61 3.06 0.00 3.92 -4.23 -0.08 -2.42 115.64 117.50 2yrl s THR 64 Ca 0.05 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 2yrl s THR 64 Cb -0.16 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2yrl s THR 64 CO 0.05 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 2yrl n GLY 65 N -0.56 0.86 3.91 3.99 0.00 -0.94 -0.10 105.19 112.36 2yrl n GLY 65 Ca -0.07 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.74 3.79 0.27 0.99 1.43 -1.01 -4.17 118.68 119.24 2yrl s LEU 66 Ca 0.00 0.84 -0.09 0.00 -1.03 0.00 0.00 54.13 53.85 2yrl s LEU 66 Cb 0.00 -3.75 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 2yrl s LEU 66 CO 0.00 -0.45 0.44 0.00 0.23 0.00 0.00 176.35 176.58 2yrl s GLN 67 N -4.37 1.61 -0.72 1.70 -2.07 -1.26 -4.75 119.66 109.80 2yrl s GLN 67 Ca 0.46 -1.42 -0.30 0.00 -1.82 0.00 0.00 55.36 52.28 2yrl s GLN 67 Cb -0.10 0.44 -0.15 0.00 -1.09 0.00 0.00 33.01 32.11 2yrl s GLN 67 CO 0.39 -0.66 2.52 0.28 -1.32 0.00 0.00 175.29 176.50 2yrl n VAL 68 N -0.42 -0.01 -3.32 3.63 0.31 -1.26 -4.65 118.33 112.62 2yrl n VAL 68 Ca -0.01 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 2yrl n VAL 68 Cb 0.62 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 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 6.37 -0.97 3.47 2.92 0.00 -1.22 -5.00 105.19 110.76 2yrl n GLY 69 Ca 0.52 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.00 3.02 -0.08 2.61 2.01 -1.26 -2.54 115.64 116.40 2yrl s THR 70 Ca 0.00 -0.80 -0.02 0.00 0.31 0.00 0.00 61.69 61.18 2yrl s THR 70 Cb 0.00 -2.20 0.03 0.00 0.01 0.00 0.00 72.50 70.35 2yrl s THR 70 CO 0.00 0.55 0.03 -0.31 -0.69 0.00 0.00 174.62 174.20 2yrl s TYR 71 N -0.77 0.49 -0.30 4.92 1.51 -0.78 -3.75 117.35 118.66 2yrl s TYR 71 Ca 0.12 -0.12 -0.05 0.00 -1.01 0.00 0.00 57.07 56.01 2yrl s TYR 71 Cb -0.11 -0.72 0.03 0.00 -0.11 0.00 0.00 41.96 41.05 2yrl s TYR 71 CO 0.01 -0.33 0.06 0.08 -1.11 0.00 0.00 175.55 174.26 2yrl s VAL 72 N 2.03 3.62 -0.20 0.71 1.01 -1.16 -1.41 120.40 125.01 2yrl s VAL 72 Ca 0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 2yrl s VAL 72 Cb -0.13 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 2yrl s VAL 72 CO -0.05 -0.00 -0.05 -0.36 0.00 0.00 0.00 175.10 174.63 2yrl s PHE 73 N 1.41 2.95 -0.20 5.22 0.40 -1.19 0.84 117.98 127.41 2yrl s PHE 73 Ca -0.00 -0.77 -0.10 0.00 -0.60 0.00 0.00 56.93 55.46 2yrl s PHE 73 Cb -0.18 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.26 2yrl s PHE 73 CO 0.01 -0.41 0.13 0.99 0.70 0.00 0.00 175.22 176.64 2yrl s THR 74 N 1.12 5.34 -0.49 0.64 2.01 -0.64 -2.21 115.64 121.42 2yrl s THR 74 Ca 0.02 0.17 -0.14 0.00 0.31 0.00 0.00 61.69 62.05 2yrl s THR 74 Cb -0.15 -3.44 0.10 0.00 0.01 0.00 0.00 72.50 69.03 2yrl s THR 74 CO -0.01 0.43 0.40 -0.22 -0.69 0.00 0.00 174.62 174.54 2yrl s LEU 75 N 0.42 5.76 -0.45 4.42 2.96 0.16 -3.21 118.68 128.73 2yrl s LEU 75 Ca 0.07 -1.62 -0.24 0.00 -0.22 0.00 0.00 54.13 52.13 2yrl s LEU 75 Cb -0.11 -2.13 0.03 0.00 0.50 0.00 0.00 46.19 44.47 2yrl s LEU 75 CO -0.01 -0.71 0.83 -0.89 -1.32 0.00 0.00 176.35 174.25 2yrl s THR 76 N 1.54 4.59 0.25 3.68 2.01 -1.16 -2.64 115.64 123.91 2yrl s THR 76 Ca 0.04 0.57 0.10 0.00 0.31 0.00 0.00 61.69 62.71 2yrl s THR 76 Cb -0.26 -4.35 -0.04 0.00 0.01 0.00 0.00 72.50 67.85 2yrl s THR 76 CO 0.03 -0.74 -0.07 0.68 -0.69 0.00 0.00 174.62 173.83 2yrl s VAL 77 N 3.44 3.17 0.01 3.82 -7.23 -0.65 -2.81 120.40 120.15 2yrl s VAL 77 Ca 0.32 -1.95 -0.04 0.00 -1.81 0.00 0.00 61.98 58.51 2yrl s VAL 77 Cb -0.11 -2.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 2yrl s VAL 77 CO 0.24 -0.31 0.05 -0.54 -0.31 0.00 0.00 175.10 174.23 2yrl s LYS 78 N -3.40 0.40 0.32 4.82 1.02 -1.25 -2.71 119.74 118.94 2yrl s LYS 78 Ca 0.29 -0.51 0.03 0.00 0.02 0.00 0.00 55.97 55.80 2yrl s LYS 78 Cb -0.07 0.16 0.03 0.00 -0.52 0.00 0.00 37.83 37.43 2yrl s LYS 78 CO 0.17 -0.08 0.27 -0.40 -0.92 0.00 0.00 175.35 174.39 2yrl n ASP 79 N 1.50 1.90 0.05 2.83 5.75 -1.22 -2.85 116.55 124.51 2yrl n ASP 79 Ca -0.23 -2.07 0.08 0.00 -0.01 0.00 0.00 54.79 52.56 2yrl n ASP 79 Cb 0.55 -0.06 0.52 0.00 -1.03 0.00 0.00 41.12 41.10 2yrl n ASP 79 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2yrl h GLU 80 N 0.00 0.32 -0.63 0.11 4.57 -1.87 0.66 114.58 117.75 2yrl h GLU 80 Ca -0.20 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2yrl h GLU 80 Cb 0.74 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 2yrl h GLU 80 CO 0.30 0.21 0.00 0.54 -1.18 0.00 0.00 179.01 178.89 2yrl n ARG 81 N -4.49 1.34 -2.37 1.92 1.74 -1.26 -4.83 116.66 108.71 2yrl n ARG 81 Ca 0.03 -0.33 -0.17 0.00 -0.77 0.00 0.00 57.85 56.62 2yrl n ARG 81 Cb 0.17 -1.39 -0.01 0.00 -1.02 0.00 0.00 32.46 30.21 2yrl n ARG 81 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2yrl n ASN 82 N -0.05 -4.89 -4.64 0.55 3.02 0.23 -4.88 115.26 104.58 2yrl n ASN 82 Ca 0.03 0.11 -0.43 0.00 -0.03 0.00 0.00 54.58 54.26 2yrl n ASN 82 Cb 0.25 -4.12 -0.02 0.00 -0.61 0.00 0.00 39.78 35.27 2yrl n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2yrl s LEU 83 N -5.75 4.04 -0.06 3.41 1.43 -1.25 -4.81 118.68 115.69 2yrl s LEU 83 Ca 0.00 1.74 -0.24 0.00 -1.03 0.00 0.00 54.13 54.61 2yrl s LEU 83 Cb 0.00 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 2yrl s LEU 83 CO 0.00 -1.08 0.71 -1.58 0.23 0.00 0.00 176.35 174.63 2yrl s GLN 84 N 4.28 4.44 -0.30 1.70 -0.44 -1.26 -3.37 119.66 124.71 2yrl s GLN 84 Ca 0.68 0.90 -0.13 0.00 -2.50 0.00 0.00 55.36 54.31 2yrl s GLN 84 Cb -0.26 -3.44 0.15 0.00 -1.64 0.00 0.00 33.01 27.82 2yrl s GLN 84 CO 0.26 0.08 0.85 -1.54 0.50 0.00 0.00 175.29 175.43 2yrl s SER 85 N 0.75 -0.81 0.14 6.67 1.04 -1.10 -4.93 113.70 115.46 2yrl s SER 85 Ca 0.38 1.12 0.07 0.00 0.48 0.00 0.00 55.95 58.00 2yrl s SER 85 Cb -0.18 1.89 -0.04 0.00 0.10 0.00 0.00 66.02 67.79 2yrl s SER 85 CO 0.19 -0.16 -0.16 0.00 0.98 0.00 0.00 173.24 174.09 2yrl s GLN 86 N 2.56 1.13 -0.01 4.02 -2.07 -1.26 -1.63 119.66 122.39 2yrl s GLN 86 Ca -0.04 -1.29 0.02 0.00 -1.82 0.00 0.00 55.36 52.22 2yrl s GLN 86 Cb -0.08 -1.11 0.00 0.00 -1.09 0.00 0.00 33.01 30.73 2yrl s GLN 86 CO -0.18 0.22 -0.05 0.45 -1.32 0.00 0.00 175.29 174.41 2yrl s SER 87 N -2.48 0.66 0.10 12.60 0.15 -1.08 -3.22 113.70 120.43 2yrl s SER 87 Ca 0.11 -0.10 0.02 0.00 0.70 0.00 0.00 55.95 56.68 2yrl s SER 87 Cb -0.06 -0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.09 2yrl s SER 87 CO 0.04 0.04 0.22 -0.94 1.20 0.00 0.00 173.24 173.81 2yrl s SER 88 N 0.06 6.23 -0.00 5.45 1.04 -1.26 -0.67 113.70 124.54 2yrl s SER 88 Ca -0.00 0.18 0.04 0.00 0.48 0.00 0.00 55.95 56.65 2yrl s SER 88 Cb -0.04 -1.87 -0.01 0.00 0.10 0.00 0.00 66.02 64.20 2yrl s SER 88 CO -0.00 0.12 -0.14 0.54 0.98 0.00 0.00 173.24 174.74 2yrl s VAL 89 N -1.60 1.10 -0.37 5.02 0.11 -0.94 -4.87 120.40 118.85 2yrl s VAL 89 Ca 0.34 -0.65 -0.20 0.00 -2.93 0.00 0.00 61.98 58.54 2yrl s VAL 89 Cb -0.12 -0.93 0.01 0.00 -1.53 0.00 0.00 36.38 33.81 2yrl s VAL 89 CO 0.27 0.27 0.62 0.20 -3.33 0.00 0.00 175.10 173.13 2yrl s ASN 90 N -0.44 6.39 -0.39 3.54 0.01 -1.26 -3.15 114.94 119.63 2yrl s ASN 90 Ca 0.05 0.03 -0.05 0.00 -0.71 0.00 0.00 52.86 52.18 2yrl s ASN 90 Cb -0.06 -2.32 0.09 0.00 0.41 0.00 0.00 41.25 39.38 2yrl s ASN 90 CO -0.00 -0.61 0.19 -0.69 -1.51 0.00 0.00 177.10 174.48 2yrl s VAL 91 N 2.69 3.56 -0.05 1.60 1.01 -0.50 -0.85 120.40 127.86 2yrl s VAL 91 Ca 0.23 -1.72 -0.12 0.00 0.00 0.00 0.00 61.98 60.37 2yrl s VAL 91 Cb -0.15 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 2yrl s VAL 91 CO 0.15 -0.53 0.32 -0.63 0.00 0.00 0.00 175.10 174.41 2yrl s ILE 92 N 1.26 5.20 -0.16 2.22 1.01 0.87 -1.87 121.20 129.73 2yrl s ILE 92 Ca 0.04 0.63 0.01 0.00 0.00 0.00 0.00 60.65 61.33 2yrl s ILE 92 Cb -0.22 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.65 2yrl s ILE 92 CO -0.02 0.58 -0.18 -0.69 0.00 0.00 0.00 174.94 174.63 2yrl s VAL 93 N -0.93 1.86 0.07 2.92 1.01 -1.05 -1.19 120.40 123.08 2yrl s VAL 93 Ca 0.21 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.42 2yrl s VAL 93 Cb -0.15 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2yrl s VAL 93 CO 0.10 0.51 -0.12 -0.54 0.00 0.00 0.00 175.10 175.04 2yrl s LYS 94 N 1.23 2.17 0.75 2.72 1.02 0.43 -3.43 119.74 124.64 2yrl s LYS 94 Ca 0.02 -0.96 -0.11 0.00 0.02 0.00 0.00 55.97 54.94 2yrl s LYS 94 Cb -0.14 -2.30 0.05 0.00 -0.52 0.00 0.00 37.83 34.93 2yrl s LYS 94 CO -0.09 0.53 1.12 -1.83 -0.92 0.00 0.00 175.35 174.16 2yrl s GLU 95 N -1.82 2.30 0.06 1.68 -1.05 -1.26 -0.39 118.70 118.21 2yrl s GLU 95 Ca 0.18 0.15 -0.31 0.00 -0.15 0.00 0.00 54.97 54.84 2yrl s GLU 95 Cb -0.11 -2.02 -0.08 0.00 -0.44 0.00 0.00 34.13 31.48 2yrl s GLU 95 CO 0.10 -1.34 1.64 -2.00 0.95 0.00 0.00 175.26 174.61 2yrl s GLU 96 N -5.43 4.20 -0.83 -4.83 2.12 -1.26 -4.56 118.70 108.10 2yrl s GLU 96 Ca 0.60 2.30 -0.19 0.00 0.36 0.00 0.00 54.97 58.05 2yrl s GLU 96 Cb -0.11 -3.64 0.13 0.00 0.26 0.00 0.00 34.13 30.77 2yrl s GLU 96 CO 0.49 -0.74 1.01 -1.12 -0.54 0.00 0.00 175.26 174.37 2yrl s SER 97 N 2.48 6.51 0.33 -1.70 0.01 -1.26 -4.94 113.70 115.13 2yrl s SER 97 Ca 0.73 -1.85 0.00 0.00 1.31 0.00 0.00 55.95 56.15 2yrl s SER 97 Cb -0.39 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.47 2yrl s SER 97 CO 0.32 -1.09 0.00 0.61 0.41 0.00 0.00 173.24 173.49 2yrl n GLY 98 N 5.30 -2.21 3.68 3.44 0.00 -1.26 -4.74 105.19 109.41 2yrl n GLY 98 Ca 0.14 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.58 4.25 -0.20 1.61 0.04 -1.26 -5.00 135.00 131.86 2yrl s PRO 99 Ca 0.00 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 2yrl s PRO 99 Cb 0.00 -3.67 0.06 0.00 0.04 0.00 0.00 34.50 30.94 2yrl s PRO 99 CO 0.00 -0.65 0.06 -1.12 0.04 0.00 0.00 177.00 175.33 2yrl s SER 100 N 2.20 2.83 -0.10 6.66 0.01 -1.26 -5.02 113.70 119.02 2yrl s SER 100 Ca 0.66 -0.83 -0.24 0.00 1.31 0.00 0.00 55.95 56.85 2yrl s SER 100 Cb -0.32 -0.48 -0.20 0.00 0.21 0.00 0.00 66.02 65.23 2yrl s SER 100 CO 0.27 -0.34 0.79 -1.28 0.41 0.00 0.00 173.24 173.09 2yrl h SER 101 N 8.30 -0.03 0.00 2.44 0.87 -2.01 -3.53 113.55 119.58 2yrl h SER 101 Ca -0.16 -0.68 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 2yrl h SER 101 Cb 1.12 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2yrl h SER 101 CO 0.34 0.74 0.00 0.61 -0.53 0.00 0.00 176.83 177.99