#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 6.64 -0.59 1.61 0.15 -1.26 -5.03 113.70 115.21 2yrl s SER 2 Ca 0.00 0.77 -0.03 0.00 0.70 0.00 0.00 55.95 57.39 2yrl s SER 2 Cb 0.00 -2.29 0.15 0.00 -1.71 0.00 0.00 66.02 62.17 2yrl s SER 2 CO 0.00 -0.09 0.41 -0.94 1.20 0.00 0.00 173.24 173.82 2yrl s SER 3 N 0.87 5.22 0.00 5.45 1.04 -1.26 -5.02 113.70 120.00 2yrl s SER 3 Ca 0.26 -2.75 0.00 0.00 0.48 0.00 0.00 55.95 53.93 2yrl s SER 3 Cb -0.15 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.12 2yrl s SER 3 CO 0.10 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2yrl n GLY 4 N 3.62 3.20 3.79 7.32 0.00 -1.26 -5.15 105.19 116.71 2yrl n GLY 4 Ca 0.06 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 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 2.00 7.24 -0.43 1.61 0.01 -1.26 -5.05 113.70 117.83 2yrl s SER 5 Ca 0.00 1.48 0.02 0.00 1.31 0.00 0.00 55.95 58.76 2yrl s SER 5 Cb 0.00 -2.44 0.13 0.00 0.21 0.00 0.00 66.02 63.92 2yrl s SER 5 CO 0.00 0.23 0.21 -0.55 0.41 0.00 0.00 173.24 173.54 2yrl s SER 6 N -1.15 3.94 0.00 2.44 0.15 -1.26 -5.01 113.70 112.81 2yrl s SER 6 Ca 0.33 -2.54 0.00 0.00 0.70 0.00 0.00 55.95 54.44 2yrl s SER 6 Cb -0.21 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 2yrl s SER 6 CO 0.23 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2yrl n GLY 7 N 3.68 2.90 0.11 9.45 0.00 -1.26 -5.07 105.19 115.00 2yrl n GLY 7 Ca 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.27 -5.16 1.61 4.20 -1.95 -3.44 115.11 110.10 2yrl h GLN 8 Ca 0.00 0.02 -0.41 0.00 0.06 0.00 0.00 58.65 58.32 2yrl h GLN 8 Cb 0.00 0.06 -0.14 0.00 0.30 0.00 0.00 27.48 27.70 2yrl h GLN 8 CO 0.00 -0.18 -0.65 0.00 -0.67 0.00 0.00 178.83 177.33 2yrl s ALA 9 N -3.58 1.95 -0.25 3.87 0.00 -1.26 -4.47 121.76 118.01 2yrl s ALA 9 Ca -0.04 -1.82 0.02 0.00 0.00 0.00 0.00 51.96 50.12 2yrl s ALA 9 Cb 0.00 0.49 0.06 0.00 0.00 0.00 0.00 23.12 23.67 2yrl s ALA 9 CO 0.12 -0.24 -0.11 0.34 0.00 0.00 0.00 175.76 175.88 2yrl s ASP 10 N -3.35 4.22 -0.27 0.00 2.15 -1.26 -4.57 116.67 113.59 2yrl s ASP 10 Ca 0.30 -1.29 0.11 0.00 0.43 0.00 0.00 52.55 52.10 2yrl s ASP 10 Cb 0.06 -1.48 0.54 0.00 -0.30 0.00 0.00 42.92 41.73 2yrl s ASP 10 CO 0.10 -0.18 1.50 0.00 -0.17 0.00 0.00 175.17 176.42 2yrl n ALA 11 N 4.49 3.98 -0.94 3.66 0.00 -1.26 -4.52 120.51 125.92 2yrl n ALA 11 Ca -0.14 -2.82 0.11 0.00 0.00 0.00 0.00 53.44 50.59 2yrl n ALA 11 Cb 0.43 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.90 -3.15 1.76 0.00 0.00 -1.26 -4.74 105.19 96.90 2yrl n GLY 12 Ca 0.32 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.47 -2.09 -1.52 1.61 -0.04 -1.26 -4.80 135.00 123.43 2yrl n PRO 13 Ca -0.06 -0.88 -0.36 0.00 -0.04 0.00 0.00 63.50 62.16 2yrl n PRO 13 Cb 0.44 -0.82 0.08 0.00 -0.04 0.00 0.00 33.50 33.16 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 -3.94 1.40 -4.03 3.54 5.68 -1.26 -4.74 116.55 113.20 2yrl n ASP 14 Ca 0.08 0.75 -0.29 0.00 -0.50 0.00 0.00 54.79 54.82 2yrl n ASP 14 Cb 0.30 -1.50 -0.17 0.00 -1.14 0.00 0.00 41.12 38.61 2yrl n ASP 14 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2yrl s LYS 15 N -3.44 2.26 -0.33 0.11 -0.14 -0.40 -5.02 119.74 112.78 2yrl s LYS 15 Ca 0.78 -0.56 0.04 0.00 -1.36 0.00 0.00 55.97 54.88 2yrl s LYS 15 Cb -0.36 -2.02 0.09 0.00 -1.68 0.00 0.00 37.83 33.87 2yrl s LYS 15 CO 0.45 -0.17 0.03 -2.00 -0.76 0.00 0.00 175.35 172.90 2yrl s GLU 16 N 1.29 1.58 0.38 1.68 2.12 -1.25 0.42 118.70 124.91 2yrl s GLU 16 Ca 0.00 -1.81 0.02 0.00 0.36 0.00 0.00 54.97 53.54 2yrl s GLU 16 Cb -0.14 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 31.07 2yrl s GLU 16 CO -0.07 -0.89 0.57 -0.51 -0.54 0.00 0.00 175.26 173.81 2yrl s LEU 17 N 0.93 3.88 -0.21 2.70 1.43 -0.70 -4.94 118.68 121.77 2yrl s LEU 17 Ca 0.08 0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 2yrl s LEU 17 Cb -0.19 -3.10 0.07 0.00 0.03 0.00 0.00 46.19 42.99 2yrl s LEU 17 CO -0.08 -0.47 0.04 -0.89 0.23 0.00 0.00 176.35 175.19 2yrl s THR 18 N -2.36 0.59 0.71 5.49 2.01 -1.25 0.44 115.64 121.27 2yrl s THR 18 Ca 0.44 -0.69 -0.16 0.00 0.31 0.00 0.00 61.69 61.59 2yrl s THR 18 Cb -0.10 -1.14 -0.13 0.00 0.01 0.00 0.00 72.50 71.14 2yrl s THR 18 CO 0.35 -0.27 -0.47 0.18 -0.69 0.00 0.00 174.62 173.73 2yrl n LEU 19 N 5.02 -4.53 0.00 4.42 4.77 0.75 -2.24 117.00 125.19 2yrl n LEU 19 Ca -0.08 0.34 0.08 0.00 -0.03 0.00 0.00 56.01 56.32 2yrl n LEU 19 Cb 0.46 -0.72 0.44 0.00 -2.33 0.00 0.00 43.42 41.28 2yrl n LEU 19 CO 0.13 -4.96 0.68 -0.81 -1.33 0.00 0.00 177.39 171.10 2yrl n PRO 20 N 1.87 0.42 -1.55 3.23 -0.04 -1.26 -1.80 135.00 135.87 2yrl n PRO 20 Ca 0.02 0.04 -0.13 0.00 -0.04 0.00 0.00 63.50 63.38 2yrl n PRO 20 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.07 0.00 -1.44 0.52 0.31 -0.95 -4.64 118.33 111.05 2yrl n VAL 21 Ca 0.11 -0.15 -0.16 0.00 -0.01 0.00 0.00 64.34 64.13 2yrl n VAL 21 Cb 0.07 -1.89 0.16 0.00 -0.91 0.00 0.00 33.84 31.27 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 18.96 3.74 -3.74 4.52 5.75 -1.26 -3.90 116.55 140.62 2yrl n ASP 22 Ca 0.41 -3.75 -0.13 0.00 -0.01 0.00 0.00 54.79 51.31 2yrl n ASP 22 Cb 0.46 -0.71 -0.14 0.00 -1.03 0.00 0.00 41.12 39.70 2yrl n ASP 22 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2yrl s SER 23 N -2.24 -0.17 -0.02 -1.12 1.04 -1.26 -1.12 113.70 108.81 2yrl s SER 23 Ca 0.51 0.39 -0.23 0.00 0.48 0.00 0.00 55.95 57.11 2yrl s SER 23 Cb 0.44 0.28 0.05 0.00 0.10 0.00 0.00 66.02 66.89 2yrl s SER 23 CO 0.03 -0.15 0.49 0.28 0.98 0.00 0.00 173.24 174.87 2yrl s THR 24 N 1.19 0.03 0.08 2.02 -1.32 -0.62 -4.99 115.64 112.04 2yrl s THR 24 Ca -0.09 -0.25 0.05 0.00 -1.21 0.00 0.00 61.69 60.19 2yrl s THR 24 Cb -0.11 -0.84 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 2yrl s THR 24 CO -0.07 -0.14 -0.02 0.28 -2.21 0.00 0.00 174.62 172.46 2yrl s THR 25 N -1.49 3.92 -0.34 5.08 -1.32 -1.26 -1.60 115.64 118.62 2yrl s THR 25 Ca -0.11 -0.99 -0.10 0.00 -1.21 0.00 0.00 61.69 59.28 2yrl s THR 25 Cb -0.02 -2.85 0.01 0.00 -1.51 0.00 0.00 72.50 68.13 2yrl s THR 25 CO 0.05 0.15 0.17 -0.76 -2.21 0.00 0.00 174.62 172.02 2yrl s LEU 26 N -2.20 4.38 -0.70 9.08 1.43 -0.71 -4.93 118.68 125.02 2yrl s LEU 26 Ca 0.24 -0.77 -0.26 0.00 -1.03 0.00 0.00 54.13 52.30 2yrl s LEU 26 Cb -0.12 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 44.14 2yrl s LEU 26 CO 0.17 -0.29 1.22 1.51 0.23 0.00 0.00 176.35 179.18 2yrl s ASP 27 N 1.57 6.21 -0.32 2.29 -4.77 -1.26 -3.21 116.67 117.18 2yrl s ASP 27 Ca 0.03 -0.44 0.10 0.00 -3.30 0.00 0.00 52.55 48.94 2yrl s ASP 27 Cb -0.18 -2.54 0.70 0.00 -1.09 0.00 0.00 42.92 39.81 2yrl s ASP 27 CO 0.06 -1.72 1.75 0.61 0.70 0.00 0.00 175.17 176.58 2yrl n GLY 28 N 5.32 3.91 0.22 2.12 0.00 0.11 -4.35 105.19 112.52 2yrl n GLY 28 Ca 0.03 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 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 2.26 0.85 0.00 1.61 0.87 -1.85 -3.33 113.55 113.97 2yrl h SER 29 Ca 0.28 -0.53 -0.58 0.00 -1.23 0.00 0.00 61.79 59.73 2yrl h SER 29 Cb 2.25 -0.25 0.02 0.00 -0.44 0.00 0.00 62.40 63.99 2yrl h SER 29 CO 0.70 1.31 3.45 0.29 -0.53 0.00 0.00 176.83 182.05 2yrl n LYS 30 N -3.93 3.16 -1.53 2.24 5.02 -1.26 -4.92 118.16 116.94 2yrl n LYS 30 Ca -0.06 -1.97 -0.30 0.00 -2.02 0.00 0.00 58.31 53.96 2yrl n LYS 30 Cb 0.71 -2.70 0.20 0.00 -0.02 0.00 0.00 35.03 33.22 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 2.61 2.22 0.48 4.39 1.04 -1.25 -4.61 113.70 118.58 2yrl s SER 31 Ca 0.60 0.49 -0.21 0.00 0.48 0.00 0.00 55.95 57.31 2yrl s SER 31 Cb 0.15 -0.67 -0.10 0.00 0.10 0.00 0.00 66.02 65.51 2yrl s SER 31 CO -0.05 -3.31 0.73 -0.24 0.98 0.00 0.00 173.24 171.35 2yrl n SER 32 N -4.19 -0.07 -4.56 7.02 2.88 -1.26 -4.72 113.62 108.71 2yrl n SER 32 Ca 0.13 0.89 -0.18 0.00 -1.33 0.00 0.00 58.87 58.38 2yrl n SER 32 Cb 0.59 -1.24 -0.06 0.00 -0.75 0.00 0.00 64.21 62.76 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 -0.99 4.06 0.06 -3.46 -1.08 -1.26 -4.80 116.67 109.19 2yrl s ASP 33 Ca 0.66 0.20 -0.28 0.00 -0.52 0.00 0.00 52.55 52.62 2yrl s ASP 33 Cb -0.52 -2.54 0.09 0.00 -1.46 0.00 0.00 42.92 38.48 2yrl s ASP 33 CO 0.55 -3.64 0.97 -1.81 0.52 0.00 0.00 175.17 171.77 2yrl s ASP 34 N 10.95 -0.24 0.25 -0.34 1.01 -1.26 -5.12 116.67 121.91 2yrl s ASP 34 Ca 0.92 -0.20 -0.28 0.00 0.71 0.00 0.00 52.55 53.70 2yrl s ASP 34 Cb -0.13 0.40 -0.15 0.00 1.01 0.00 0.00 42.92 44.04 2yrl s ASP 34 CO 0.11 -0.70 0.78 0.00 0.21 0.00 0.00 175.17 175.57 2yrl n GLN 35 N -0.36 0.72 -1.38 8.23 10.64 -1.26 -4.78 117.38 129.18 2yrl n GLN 35 Ca -0.07 0.25 -0.44 0.00 -1.83 0.00 0.00 57.00 54.91 2yrl n GLN 35 Cb 0.61 -1.45 -0.01 0.00 -0.86 0.00 0.00 30.24 28.53 2yrl n GLN 35 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2yrl n LYS 36 N 0.86 0.20 -3.36 2.61 4.76 -1.26 -4.90 118.16 117.07 2yrl n LYS 36 Ca 0.14 0.07 -0.38 0.00 -2.87 0.00 0.00 58.31 55.27 2yrl n LYS 36 Cb 0.29 -1.16 -0.06 0.00 -1.84 0.00 0.00 35.03 32.26 2yrl n LYS 36 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2yrl s ILE 37 N -1.36 5.17 -0.32 -0.18 1.01 -1.26 -4.70 121.20 119.55 2yrl s ILE 37 Ca 0.62 0.90 0.04 0.00 0.00 0.00 0.00 60.65 62.20 2yrl s ILE 37 Cb -0.74 -3.79 0.44 0.00 0.01 0.00 0.00 42.46 38.39 2yrl s ILE 37 CO 0.59 0.37 1.55 2.30 0.00 0.00 0.00 174.94 179.75 2yrl n ILE 38 N 3.38 2.32 -3.64 2.92 -5.35 -1.25 -4.83 119.36 112.90 2yrl n ILE 38 Ca -0.09 -1.18 -0.10 0.00 -0.27 0.00 0.00 62.75 61.11 2yrl n ILE 38 Cb 0.52 -0.61 -0.07 0.00 -1.74 0.00 0.00 39.64 37.73 2yrl n ILE 38 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2yrl s SER 39 N -0.48 -0.82 -0.11 7.28 1.04 -1.25 -4.99 113.70 114.37 2yrl s SER 39 Ca 0.36 1.42 -0.05 0.00 0.48 0.00 0.00 55.95 58.16 2yrl s SER 39 Cb 0.30 1.36 0.05 0.00 0.10 0.00 0.00 66.02 67.84 2yrl s SER 39 CO 0.08 -0.24 0.25 -0.31 0.98 0.00 0.00 173.24 174.00 2yrl s TYR 40 N 1.02 -0.37 0.01 5.02 2.02 -1.26 -3.79 117.35 120.01 2yrl s TYR 40 Ca -0.05 0.86 0.03 0.00 -0.37 0.00 0.00 57.07 57.54 2yrl s TYR 40 Cb -0.05 0.02 -0.01 0.00 -0.40 0.00 0.00 41.96 41.52 2yrl s TYR 40 CO -0.10 -0.28 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.34 2yrl s LEU 41 N 1.68 2.10 -0.13 -1.29 2.96 -0.12 -3.74 118.68 120.12 2yrl s LEU 41 Ca -0.06 -0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2yrl s LEU 41 Cb -0.11 -0.44 0.04 0.00 0.50 0.00 0.00 46.19 46.19 2yrl s LEU 41 CO -0.09 0.04 0.00 0.26 -1.32 0.00 0.00 176.35 175.24 2yrl s TRP 42 N -0.56 1.01 0.02 5.38 0.52 -0.08 -1.95 118.94 123.28 2yrl s TRP 42 Ca 0.01 -0.60 -0.01 0.00 0.02 0.00 0.00 56.10 55.52 2yrl s TRP 42 Cb -0.06 -0.99 -0.02 0.00 -1.15 0.00 0.00 33.47 31.25 2yrl s TRP 42 CO 0.00 -0.49 -0.02 -1.21 0.02 0.00 0.00 176.95 175.26 2yrl s GLU 43 N 1.86 0.34 -0.41 4.98 2.02 -1.24 -4.80 118.70 121.45 2yrl s GLU 43 Ca 0.02 -0.64 -0.23 0.00 0.02 0.00 0.00 54.97 54.14 2yrl s GLU 43 Cb -0.15 0.12 0.02 0.00 0.10 0.00 0.00 34.13 34.23 2yrl s GLU 43 CO -0.07 -0.06 0.79 0.21 0.02 0.00 0.00 175.26 176.15 2yrl s LYS 44 N -1.62 3.59 -0.06 1.61 2.20 -1.26 -0.79 119.74 123.41 2yrl s LYS 44 Ca -0.14 0.11 -0.25 0.00 -0.36 0.00 0.00 55.97 55.32 2yrl s LYS 44 Cb -0.09 -3.87 -0.21 0.00 -1.51 0.00 0.00 37.83 32.16 2yrl s LYS 44 CO -0.01 -0.99 1.06 1.79 -0.36 0.00 0.00 175.35 176.84 2yrl h THR 45 N 5.87 1.36 -4.91 3.43 1.35 0.93 -3.48 112.91 117.46 2yrl h THR 45 Ca -0.25 -1.43 -0.58 0.00 -0.55 0.00 0.00 66.41 63.61 2yrl h THR 45 Cb 1.09 2.29 -0.12 0.00 -1.73 0.00 0.00 68.15 69.68 2yrl h THR 45 CO 0.94 0.35 -0.45 0.00 -0.25 0.00 0.00 175.52 176.11 2yrl n GLN 46 N -4.81 0.69 0.00 4.72 6.02 -0.91 -4.99 117.38 118.10 2yrl n GLN 46 Ca -0.09 -3.41 0.00 0.00 -0.01 0.00 0.00 57.00 53.49 2yrl n GLN 46 Cb 0.31 1.44 0.00 0.00 1.02 0.00 0.00 30.24 33.01 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 -0.73 1.29 3.61 1.08 0.00 -1.24 -2.64 105.19 106.57 2yrl n GLY 47 Ca -0.12 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 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 -2.12 3.49 0.73 1.61 0.04 -1.24 -4.97 135.00 132.54 2yrl s PRO 48 Ca 0.00 1.39 -0.16 0.00 0.04 0.00 0.00 61.00 62.27 2yrl s PRO 48 Cb 0.00 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2yrl s PRO 48 CO 0.00 -1.67 0.89 -0.25 0.04 0.00 0.00 177.00 176.01 2yrl n ASP 49 N 9.56 0.14 0.00 6.66 8.00 -1.26 -4.34 116.55 135.30 2yrl n ASP 49 Ca 0.21 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.35 2yrl n ASP 49 Cb 0.47 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 2yrl n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2yrl n GLY 50 N 1.17 3.95 3.04 0.44 0.00 -1.26 -5.13 105.19 107.40 2yrl n GLY 50 Ca 0.12 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 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 -4.03 1.61 0.24 -1.26 -4.96 118.33 109.92 2yrl n VAL 51 Ca 0.00 -0.32 -0.31 0.00 -2.04 0.00 0.00 64.34 61.67 2yrl n VAL 51 Cb 0.00 -0.06 -0.16 0.00 -1.47 0.00 0.00 33.84 32.15 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 -2.15 2.31 -0.14 7.34 1.11 -0.51 -4.97 119.66 122.65 2yrl s GLN 52 Ca 0.40 -0.83 -0.18 0.00 0.01 0.00 0.00 55.36 54.76 2yrl s GLN 52 Cb -0.09 -2.43 -0.04 0.00 -1.01 0.00 0.00 33.01 29.43 2yrl s GLN 52 CO 0.76 -0.36 0.47 -0.51 0.01 0.00 0.00 175.29 175.67 2yrl s LEU 53 N 1.36 4.25 -0.06 2.90 1.43 -1.26 -2.15 118.68 125.14 2yrl s LEU 53 Ca 0.01 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 2yrl s LEU 53 Cb -0.15 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 2yrl s LEU 53 CO -0.09 -0.03 -0.07 -1.61 0.23 0.00 0.00 176.35 174.78 2yrl s GLU 54 N 0.82 2.73 -1.25 1.70 2.02 0.89 -4.52 118.70 121.10 2yrl s GLU 54 Ca 0.25 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.68 2yrl s GLU 54 Cb -0.15 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.50 2yrl s GLU 54 CO 0.10 0.66 0.00 0.09 0.02 0.00 0.00 175.26 176.13 2yrl n ASN 55 N 2.20 -4.41 0.18 -0.19 3.02 -1.26 -2.12 115.26 112.67 2yrl n ASN 55 Ca -0.18 0.14 0.15 0.00 -0.03 0.00 0.00 54.58 54.67 2yrl n ASN 55 Cb 0.53 -3.73 0.55 0.00 -0.61 0.00 0.00 39.78 36.52 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 0.99 1.95 -0.18 5.41 0.00 -1.84 0.49 119.26 126.08 2yrl h ALA 56 Ca -0.34 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 2yrl h ALA 56 Cb 1.25 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2yrl h ALA 56 CO 0.41 -0.80 0.08 -1.71 0.00 0.00 0.00 179.25 177.23 2yrl n ASN 57 N -3.06 2.69 -3.81 0.00 2.85 -1.26 -0.91 115.26 111.77 2yrl n ASN 57 Ca 0.05 -2.29 -0.13 0.00 -0.11 0.00 0.00 54.58 52.11 2yrl n ASN 57 Cb 0.77 -0.56 -0.12 0.00 1.24 0.00 0.00 39.78 41.11 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 0.22 -0.19 0.47 1.20 0.01 0.17 -4.51 113.70 111.07 2yrl s SER 58 Ca 0.12 0.36 0.41 0.00 1.31 0.00 0.00 55.95 58.16 2yrl s SER 58 Cb 0.10 0.37 1.51 0.00 0.21 0.00 0.00 66.02 68.20 2yrl s SER 58 CO 0.03 -0.06 1.41 -1.54 0.41 0.00 0.00 173.24 173.48 2yrl n SER 59 N 3.01 0.05 -4.31 2.44 3.41 -1.26 -3.34 113.62 113.62 2yrl n SER 59 Ca -0.13 1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 59.06 2yrl n SER 59 Cb 0.59 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 63.95 2yrl n SER 59 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2yrl s VAL 60 N -4.79 4.58 -0.17 -3.33 1.01 -1.25 -0.71 120.40 115.73 2yrl s VAL 60 Ca -0.05 -1.28 -0.02 0.00 0.00 0.00 0.00 61.98 60.63 2yrl s VAL 60 Cb 0.25 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2yrl s VAL 60 CO 0.79 -0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.26 2yrl s ALA 61 N 1.50 2.68 -0.21 5.51 0.00 -1.20 -4.71 121.76 125.33 2yrl s ALA 61 Ca 0.03 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 2yrl s ALA 61 Cb -0.23 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 2yrl s ALA 61 CO 0.04 -0.10 0.45 0.99 0.00 0.00 0.00 175.76 177.14 2yrl s THR 62 N 0.92 5.15 -0.20 0.00 2.01 -0.90 -1.74 115.64 120.87 2yrl s THR 62 Ca -0.02 0.80 -0.02 0.00 0.31 0.00 0.00 61.69 62.76 2yrl s THR 62 Cb -0.15 -3.78 -0.00 0.00 0.01 0.00 0.00 72.50 68.58 2yrl s THR 62 CO -0.00 0.20 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.35 2yrl s VAL 63 N 1.61 3.05 0.08 3.82 1.01 -0.63 -0.08 120.40 129.26 2yrl s VAL 63 Ca 0.21 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.66 2yrl s VAL 63 Cb -0.15 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2yrl s VAL 63 CO 0.09 0.46 -0.23 0.42 0.00 0.00 0.00 175.10 175.84 2yrl s THR 64 N 1.27 1.90 0.00 3.92 -4.23 -0.92 -1.58 115.64 116.00 2yrl s THR 64 Ca 0.03 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 2yrl s THR 64 Cb -0.14 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.02 2yrl s THR 64 CO -0.04 0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 2yrl n GLY 65 N 1.42 1.76 3.90 3.99 0.00 -0.99 -1.42 105.19 113.85 2yrl n GLY 65 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 2.67 -0.05 0.99 1.43 -0.27 -4.33 118.68 119.12 2yrl s LEU 66 Ca 0.00 0.81 -0.26 0.00 -1.03 0.00 0.00 54.13 53.65 2yrl s LEU 66 Cb 0.00 -3.41 0.06 0.00 0.03 0.00 0.00 46.19 42.86 2yrl s LEU 66 CO 0.00 -1.70 0.58 -1.10 0.23 0.00 0.00 176.35 174.36 2yrl s GLN 67 N -5.46 0.94 -0.87 1.70 -0.21 -1.26 -4.80 119.66 109.70 2yrl s GLN 67 Ca 0.60 0.17 -0.17 0.00 0.02 0.00 0.00 55.36 55.99 2yrl s GLN 67 Cb -0.11 0.44 -0.25 0.00 1.00 0.00 0.00 33.01 34.09 2yrl s GLN 67 CO 0.49 -0.28 2.08 0.28 -2.12 0.00 0.00 175.29 175.74 2yrl n VAL 68 N 1.10 0.00 -2.24 1.09 0.31 -1.26 -4.59 118.33 112.74 2yrl n VAL 68 Ca -0.19 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 2yrl n VAL 68 Cb 0.57 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 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 5.17 1.38 3.31 2.92 0.00 -1.26 -4.98 105.19 111.72 2yrl n GLY 69 Ca 0.58 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.57 2.45 -0.14 2.61 2.01 -1.26 -3.13 115.64 116.61 2yrl s THR 70 Ca 0.00 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.09 2yrl s THR 70 Cb 0.00 -1.96 0.04 0.00 0.01 0.00 0.00 72.50 70.59 2yrl s THR 70 CO 0.00 0.56 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.15 2yrl s TYR 71 N 0.07 1.28 -0.25 4.92 2.02 -0.62 -3.64 117.35 121.14 2yrl s TYR 71 Ca -0.09 -0.74 -0.03 0.00 -0.37 0.00 0.00 57.07 55.85 2yrl s TYR 71 Cb -0.15 -1.12 0.02 0.00 -0.40 0.00 0.00 41.96 40.30 2yrl s TYR 71 CO 0.05 -0.52 -0.04 0.08 -1.57 0.00 0.00 175.55 173.56 2yrl s VAL 72 N 1.77 3.13 -0.15 0.71 1.01 -1.08 -0.52 120.40 125.27 2yrl s VAL 72 Ca 0.02 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 2yrl s VAL 72 Cb -0.14 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2yrl s VAL 72 CO -0.07 0.22 -0.08 -0.36 0.00 0.00 0.00 175.10 174.81 2yrl s PHE 73 N 1.38 2.92 -0.45 5.22 0.40 -1.13 0.14 117.98 126.47 2yrl s PHE 73 Ca 0.02 -0.52 -0.13 0.00 -0.60 0.00 0.00 56.93 55.69 2yrl s PHE 73 Cb -0.16 -1.92 0.08 0.00 0.51 0.00 0.00 43.02 41.52 2yrl s PHE 73 CO -0.03 -0.17 0.34 0.99 0.70 0.00 0.00 175.22 177.04 2yrl s THR 74 N 0.48 4.80 -0.61 0.64 2.01 0.03 -1.80 115.64 121.19 2yrl s THR 74 Ca -0.06 -1.21 -0.28 0.00 0.31 0.00 0.00 61.69 60.45 2yrl s THR 74 Cb -0.15 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.49 2yrl s THR 74 CO 0.04 -0.55 1.29 -0.22 -0.69 0.00 0.00 174.62 174.49 2yrl s LEU 75 N 1.55 3.37 -0.02 4.42 2.96 0.11 -3.74 118.68 127.33 2yrl s LEU 75 Ca 0.04 0.04 -0.14 0.00 -0.22 0.00 0.00 54.13 53.84 2yrl s LEU 75 Cb -0.24 -2.98 -0.05 0.00 0.50 0.00 0.00 46.19 43.41 2yrl s LEU 75 CO 0.05 -1.65 0.39 -0.89 -1.32 0.00 0.00 176.35 172.93 2yrl s THR 76 N 5.54 5.09 0.08 3.68 2.01 -0.82 -1.29 115.64 129.93 2yrl s THR 76 Ca 0.44 0.79 -0.04 0.00 0.31 0.00 0.00 61.69 63.19 2yrl s THR 76 Cb -0.09 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 2yrl s THR 76 CO 0.23 0.56 0.08 0.68 -0.69 0.00 0.00 174.62 175.47 2yrl s VAL 77 N -0.89 0.17 -0.16 3.82 -7.23 -0.43 -0.95 120.40 114.74 2yrl s VAL 77 Ca 0.23 -1.60 -0.04 0.00 -1.81 0.00 0.00 61.98 58.76 2yrl s VAL 77 Cb -0.16 -1.57 0.07 0.00 0.56 0.00 0.00 36.38 35.28 2yrl s VAL 77 CO 0.12 -0.76 0.16 -0.54 -0.31 0.00 0.00 175.10 173.77 2yrl s LYS 78 N -3.92 0.10 1.03 4.82 1.02 -1.25 -2.75 119.74 118.79 2yrl s LYS 78 Ca 0.10 0.22 -0.17 0.00 0.02 0.00 0.00 55.97 56.13 2yrl s LYS 78 Cb 0.07 -1.12 0.25 0.00 -0.52 0.00 0.00 37.83 36.51 2yrl s LYS 78 CO -0.08 -0.56 0.96 -0.25 -0.92 0.00 0.00 175.35 174.50 2yrl n ASP 79 N 5.31 -1.74 -0.10 2.83 8.00 -1.20 -3.86 116.55 125.79 2yrl n ASP 79 Ca -0.06 -1.11 0.13 0.00 0.71 0.00 0.00 54.79 54.47 2yrl n ASP 79 Cb 0.49 -0.86 0.51 0.00 -0.02 0.00 0.00 41.12 41.25 2yrl n ASP 79 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2yrl h GLU 80 N 0.00 0.38 -1.21 -1.24 4.39 -1.91 -0.29 114.58 114.71 2yrl h GLU 80 Ca -0.35 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.18 2yrl h GLU 80 Cb 1.07 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.56 2yrl h GLU 80 CO 0.23 0.25 0.18 0.54 -1.16 0.00 0.00 179.01 179.05 2yrl n ARG 81 N -4.47 1.34 -2.13 2.33 5.12 -1.26 -4.80 116.66 112.79 2yrl n ARG 81 Ca 0.11 -0.76 -0.00 0.00 -1.93 0.00 0.00 57.85 55.26 2yrl n ARG 81 Cb 0.42 -1.30 -0.00 0.00 -1.16 0.00 0.00 32.46 30.42 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 0.31 -0.77 -4.70 0.55 5.15 -0.12 -4.80 115.26 110.89 2yrl n ASN 82 Ca 0.15 0.37 -0.42 0.00 -0.60 0.00 0.00 54.58 54.08 2yrl n ASN 82 Cb 0.72 -0.89 -0.03 0.00 -0.53 0.00 0.00 39.78 39.05 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 4.35 -0.18 1.20 1.43 -1.25 -4.83 118.68 115.14 2yrl s LEU 83 Ca 0.00 2.32 -0.23 0.00 -1.03 0.00 0.00 54.13 55.19 2yrl s LEU 83 Cb 0.00 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 2yrl s LEU 83 CO 0.00 -0.74 0.74 -1.58 0.23 0.00 0.00 176.35 175.00 2yrl s GLN 84 N 1.85 4.26 -0.26 1.70 0.74 -1.26 -3.27 119.66 123.42 2yrl s GLN 84 Ca 0.67 0.83 -0.10 0.00 0.05 0.00 0.00 55.36 56.81 2yrl s GLN 84 Cb -0.36 -3.57 0.11 0.00 1.10 0.00 0.00 33.01 30.28 2yrl s GLN 84 CO 0.30 -0.27 0.57 -1.12 -0.55 0.00 0.00 175.29 174.21 2yrl s SER 85 N 1.16 -0.81 0.11 6.67 0.01 -1.11 -5.06 113.70 114.68 2yrl s SER 85 Ca 0.34 1.35 0.05 0.00 1.31 0.00 0.00 55.95 58.99 2yrl s SER 85 Cb -0.16 1.81 -0.04 0.00 0.21 0.00 0.00 66.02 67.84 2yrl s SER 85 CO 0.12 -0.22 -0.12 0.00 0.41 0.00 0.00 173.24 173.42 2yrl s GLN 86 N 2.57 0.94 -0.03 12.44 -2.07 -1.26 -1.31 119.66 130.94 2yrl s GLN 86 Ca -0.05 -1.20 0.01 0.00 -1.82 0.00 0.00 55.36 52.30 2yrl s GLN 86 Cb -0.11 -0.72 0.01 0.00 -1.09 0.00 0.00 33.01 31.11 2yrl s GLN 86 CO -0.17 0.13 -0.05 -1.54 -1.32 0.00 0.00 175.29 172.34 2yrl s SER 87 N -2.45 0.87 -0.04 12.60 1.04 -0.41 -4.16 113.70 121.14 2yrl s SER 87 Ca 0.07 -0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 2yrl s SER 87 Cb -0.04 -0.34 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 2yrl s SER 87 CO 0.02 -0.01 0.17 -0.94 0.98 0.00 0.00 173.24 173.45 2yrl s SER 88 N 0.60 6.36 -0.01 7.02 1.04 -1.26 0.08 113.70 127.53 2yrl s SER 88 Ca -0.08 0.38 0.04 0.00 0.48 0.00 0.00 55.95 56.77 2yrl s SER 88 Cb -0.11 -2.01 -0.01 0.00 0.10 0.00 0.00 66.02 63.98 2yrl s SER 88 CO 0.00 0.30 -0.12 0.54 0.98 0.00 0.00 173.24 174.95 2yrl s VAL 89 N -1.24 0.92 -0.23 5.02 0.11 -0.74 -4.87 120.40 119.36 2yrl s VAL 89 Ca 0.24 -0.52 -0.19 0.00 -2.93 0.00 0.00 61.98 58.57 2yrl s VAL 89 Cb -0.12 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2yrl s VAL 89 CO 0.15 0.25 0.57 0.20 -3.33 0.00 0.00 175.10 172.93 2yrl s ASN 90 N -0.31 6.56 -0.31 3.54 0.01 -1.26 -2.83 114.94 120.33 2yrl s ASN 90 Ca 0.04 0.68 0.02 0.00 -0.71 0.00 0.00 52.86 52.89 2yrl s ASN 90 Cb -0.05 -2.31 0.08 0.00 0.41 0.00 0.00 41.25 39.38 2yrl s ASN 90 CO -0.00 -0.28 0.00 -0.69 -1.51 0.00 0.00 177.10 174.62 2yrl s VAL 91 N 2.13 2.50 0.03 1.60 1.01 0.33 -1.28 120.40 126.72 2yrl s VAL 91 Ca 0.25 -1.88 -0.05 0.00 0.00 0.00 0.00 61.98 60.30 2yrl s VAL 91 Cb -0.16 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 2yrl s VAL 91 CO 0.09 -0.32 0.26 -0.63 0.00 0.00 0.00 175.10 174.50 2yrl s ILE 92 N 1.07 5.32 -0.05 2.22 1.01 0.17 -1.58 121.20 129.35 2yrl s ILE 92 Ca 0.01 0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.73 2yrl s ILE 92 Cb -0.20 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 2yrl s ILE 92 CO -0.05 0.28 -0.23 -0.69 0.00 0.00 0.00 174.94 174.25 2yrl s VAL 93 N -1.38 2.22 0.48 2.92 1.01 -1.18 -1.72 120.40 122.74 2yrl s VAL 93 Ca 0.30 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.29 2yrl s VAL 93 Cb -0.13 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 2yrl s VAL 93 CO 0.19 0.57 0.02 -0.54 0.00 0.00 0.00 175.10 175.35 2yrl s LYS 94 N -0.29 2.11 0.13 2.72 -0.14 0.17 -4.02 119.74 120.42 2yrl s LYS 94 Ca 0.00 -2.32 -0.07 0.00 -1.36 0.00 0.00 55.97 52.23 2yrl s LYS 94 Cb -0.13 -1.38 -0.06 0.00 -1.68 0.00 0.00 37.83 34.58 2yrl s LYS 94 CO 0.03 -0.33 0.40 -1.21 -0.76 0.00 0.00 175.35 173.47 2yrl s GLU 95 N -3.83 3.68 0.76 1.68 0.41 -1.26 -0.18 118.70 119.96 2yrl s GLU 95 Ca 0.13 0.04 -0.17 0.00 -0.41 0.00 0.00 54.97 54.56 2yrl s GLU 95 Cb 0.03 -2.88 -0.13 0.00 -1.78 0.00 0.00 34.13 29.38 2yrl s GLU 95 CO 0.07 0.48 -0.30 -0.85 -0.49 0.00 0.00 175.26 174.17 2yrl n GLU 96 N 0.35 0.03 -3.53 1.61 0.28 -0.74 -4.46 120.64 114.18 2yrl n GLU 96 Ca -0.04 0.02 -0.09 0.00 -0.16 0.00 0.00 57.16 56.89 2yrl n GLU 96 Cb 0.52 -1.15 -0.02 0.00 1.43 0.00 0.00 31.44 32.22 2yrl n GLU 96 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2yrl s SER 97 N -1.10 -0.39 -0.01 -1.84 0.15 -1.26 -4.95 113.70 104.30 2yrl s SER 97 Ca 0.51 -0.07 -0.29 0.00 0.70 0.00 0.00 55.95 56.80 2yrl s SER 97 Cb -0.33 0.47 0.10 0.00 -1.71 0.00 0.00 66.02 64.55 2yrl s SER 97 CO 0.72 -0.78 0.92 -0.83 1.20 0.00 0.00 173.24 174.47 2yrl s GLY 98 N -2.63 -0.44 0.07 9.45 0.00 -1.26 -5.02 107.32 107.50 2yrl s GLY 98 Ca 0.05 1.00 0.17 0.00 0.00 0.00 0.00 44.72 45.94 2yrl s GLY 98 CO -0.08 0.33 1.53 -1.55 0.00 0.00 0.00 173.10 173.32 2yrl n PRO 99 N -0.25 0.05 -1.99 2.90 -0.04 -1.26 -4.73 135.00 129.68 2yrl n PRO 99 Ca -0.08 0.30 -0.41 0.00 -0.04 0.00 0.00 63.50 63.27 2yrl n PRO 99 Cb 0.61 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 2yrl n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yrl s SER 100 N -3.35 6.63 -1.45 3.54 0.15 -1.26 -2.60 113.70 115.36 2yrl s SER 100 Ca 0.06 2.67 -0.10 0.00 0.70 0.00 0.00 55.95 59.28 2yrl s SER 100 Cb 0.09 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.84 2yrl s SER 100 CO 0.29 -0.73 0.98 -1.20 1.20 0.00 0.00 173.24 173.78 2yrl n SER 101 N 2.52 -4.39 0.00 5.45 7.64 -1.26 -5.19 113.62 118.39 2yrl n SER 101 Ca 0.08 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.22 2yrl n SER 101 Cb 0.40 -4.17 0.00 0.00 -1.01 0.00 0.00 64.21 59.43 2yrl n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64