#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 3.46 0.67 1.61 0.01 -1.26 -5.14 113.70 113.06 2yrl s SER 2 Ca 0.00 -1.30 -0.12 0.00 1.31 0.00 0.00 55.95 55.84 2yrl s SER 2 Cb 0.00 -0.31 -0.00 0.00 0.21 0.00 0.00 66.02 65.92 2yrl s SER 2 CO 0.00 -0.39 1.06 -0.44 0.41 0.00 0.00 173.24 173.87 2yrl s SER 3 N -3.61 5.51 0.00 2.44 0.01 -1.26 -5.06 113.70 111.73 2yrl s SER 3 Ca 0.34 1.64 0.00 0.00 1.31 0.00 0.00 55.95 59.24 2yrl s SER 3 Cb 0.07 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2yrl s SER 3 CO 0.16 -1.36 0.00 0.61 0.41 0.00 0.00 173.24 173.07 2yrl n GLY 4 N -1.84 4.17 0.11 3.44 0.00 -1.26 -5.09 105.19 104.72 2yrl n GLY 4 Ca 0.08 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 45.00 2yrl n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yrl n SER 5 N 0.00 1.87 -4.55 1.61 2.88 -1.26 -4.70 113.62 109.48 2yrl n SER 5 Ca 0.00 0.43 -0.42 0.00 -1.33 0.00 0.00 58.87 57.55 2yrl n SER 5 Cb 0.00 -0.92 -0.03 0.00 -0.75 0.00 0.00 64.21 62.51 2yrl n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yrl s SER 6 N -6.82 6.57 0.00 -3.46 1.04 -1.26 -4.07 113.70 105.70 2yrl s SER 6 Ca -0.29 -1.67 0.00 0.00 0.48 0.00 0.00 55.95 54.47 2yrl s SER 6 Cb 0.07 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2yrl s SER 6 CO 0.52 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2yrl n GLY 7 N 6.48 0.04 2.01 7.32 0.00 -1.26 -5.01 105.19 114.77 2yrl n GLY 7 Ca 0.34 -0.33 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2yrl n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2yrl n GLN 8 N 0.00 1.87 -3.70 1.61 7.27 -1.26 -4.74 117.38 118.43 2yrl n GLN 8 Ca 0.00 -1.32 -0.11 0.00 0.07 0.00 0.00 57.00 55.64 2yrl n GLN 8 Cb 0.00 -1.75 -0.11 0.00 2.41 0.00 0.00 30.24 30.79 2yrl n GLN 8 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2yrl s ALA 9 N -0.66 -0.91 -0.70 1.69 0.00 -1.26 -4.79 121.76 115.12 2yrl s ALA 9 Ca 0.43 1.37 0.05 0.00 0.00 0.00 0.00 51.96 53.81 2yrl s ALA 9 Cb 0.26 -0.88 0.18 0.00 0.00 0.00 0.00 23.12 22.68 2yrl s ALA 9 CO -0.06 -0.28 0.54 -0.25 0.00 0.00 0.00 175.76 175.70 2yrl n ASP 10 N 4.34 3.16 -0.30 0.00 9.92 -1.26 -4.59 116.55 127.82 2yrl n ASP 10 Ca -0.23 -3.25 0.09 0.00 -0.53 0.00 0.00 54.79 50.88 2yrl n ASP 10 Cb 0.54 -0.75 0.22 0.00 -0.64 0.00 0.00 41.12 40.49 2yrl n ASP 10 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yrl h ALA 11 N 5.23 0.97 0.00 2.24 0.00 -1.90 -3.37 119.26 122.43 2yrl h ALA 11 Ca 0.16 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2yrl h ALA 11 Cb 0.74 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2yrl h ALA 11 CO 0.74 -0.48 0.00 0.41 0.00 0.00 0.00 179.25 179.92 2yrl n GLY 12 N -1.46 1.40 3.73 0.00 0.00 -1.26 -4.53 105.19 103.07 2yrl n GLY 12 Ca 0.18 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.19 1.54 0.52 1.61 0.04 -1.26 -4.90 135.00 131.36 2yrl s PRO 13 Ca 0.00 0.92 -0.20 0.00 0.04 0.00 0.00 61.00 61.76 2yrl s PRO 13 Cb 0.00 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 2yrl s PRO 13 CO 0.00 -2.07 0.64 -0.40 0.04 0.00 0.00 177.00 175.22 2yrl n ASP 14 N -3.78 -0.48 -4.46 6.66 5.75 -1.26 -4.85 116.55 114.13 2yrl n ASP 14 Ca 0.08 0.83 -0.34 0.00 -0.01 0.00 0.00 54.79 55.35 2yrl n ASP 14 Cb 0.55 -1.21 -0.13 0.00 -1.03 0.00 0.00 41.12 39.30 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 -2.03 3.59 -0.22 0.11 -0.14 0.04 -5.02 119.74 116.08 2yrl s LYS 15 Ca 0.67 -0.57 -0.02 0.00 -1.36 0.00 0.00 55.97 54.70 2yrl s LYS 15 Cb -0.49 -2.85 0.07 0.00 -1.68 0.00 0.00 37.83 32.87 2yrl s LYS 15 CO 0.55 0.21 0.03 -2.00 -0.76 0.00 0.00 175.35 173.37 2yrl s GLU 16 N 0.42 0.85 0.16 1.68 2.12 -1.26 -0.57 118.70 122.10 2yrl s GLU 16 Ca -0.05 -0.62 0.06 0.00 0.36 0.00 0.00 54.97 54.72 2yrl s GLU 16 Cb -0.15 -2.19 -0.04 0.00 0.26 0.00 0.00 34.13 32.02 2yrl s GLU 16 CO 0.03 -0.68 0.05 -0.51 -0.54 0.00 0.00 175.26 173.62 2yrl s LEU 17 N 1.74 3.53 -0.12 2.70 1.43 -0.74 -5.02 118.68 122.20 2yrl s LEU 17 Ca -0.01 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2yrl s LEU 17 Cb -0.17 -2.17 0.03 0.00 0.03 0.00 0.00 46.19 43.90 2yrl s LEU 17 CO -0.10 0.09 -0.05 -0.89 0.23 0.00 0.00 176.35 175.63 2yrl s THR 18 N -1.69 0.88 0.79 5.49 2.01 -1.26 -0.61 115.64 121.27 2yrl s THR 18 Ca 0.29 -0.29 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 2yrl s THR 18 Cb -0.10 -0.99 -0.12 0.00 0.01 0.00 0.00 72.50 71.31 2yrl s THR 18 CO 0.20 0.27 -0.27 0.18 -0.69 0.00 0.00 174.62 174.31 2yrl n LEU 19 N 4.98 -3.68 0.00 4.42 4.77 0.80 -1.90 117.00 126.38 2yrl n LEU 19 Ca -0.11 0.41 0.07 0.00 -0.03 0.00 0.00 56.01 56.35 2yrl n LEU 19 Cb 0.49 -0.90 0.41 0.00 -2.33 0.00 0.00 43.42 41.09 2yrl n LEU 19 CO 0.15 -4.97 0.69 -0.81 -1.33 0.00 0.00 177.39 171.12 2yrl n PRO 20 N 1.31 0.32 -1.52 3.23 -0.04 -1.26 -3.90 135.00 133.13 2yrl n PRO 20 Ca 0.04 0.09 -0.24 0.00 -0.04 0.00 0.00 63.50 63.34 2yrl n PRO 20 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.17 -0.01 -1.72 0.52 0.31 -0.80 -4.72 118.33 110.74 2yrl n VAL 21 Ca 0.09 -0.45 -0.26 0.00 -0.01 0.00 0.00 64.34 63.71 2yrl n VAL 21 Cb 0.09 -1.04 0.06 0.00 -0.91 0.00 0.00 33.84 32.04 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 11.65 5.59 -3.63 4.52 5.68 -1.26 -4.22 116.55 134.88 2yrl n ASP 22 Ca 0.57 -3.77 -0.15 0.00 -0.50 0.00 0.00 54.79 50.95 2yrl n ASP 22 Cb 0.26 -0.59 -0.07 0.00 -1.14 0.00 0.00 41.12 39.57 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 -2.87 -0.62 0.24 -1.12 1.04 -1.26 -2.22 113.70 106.90 2yrl s SER 23 Ca 0.55 0.99 -0.07 0.00 0.48 0.00 0.00 55.95 57.90 2yrl s SER 23 Cb 0.44 0.97 -0.02 0.00 0.10 0.00 0.00 66.02 67.51 2yrl s SER 23 CO 0.02 -0.36 0.34 0.28 0.98 0.00 0.00 173.24 174.50 2yrl s THR 24 N -0.29 0.00 -0.10 2.02 -1.32 -0.91 -4.99 115.64 110.05 2yrl s THR 24 Ca -0.05 -1.66 0.03 0.00 -1.21 0.00 0.00 61.69 58.80 2yrl s THR 24 Cb -0.03 -2.36 0.01 0.00 -1.51 0.00 0.00 72.50 68.60 2yrl s THR 24 CO 0.04 0.00 -0.20 0.42 -2.21 0.00 0.00 174.62 172.67 2yrl s THR 25 N -3.98 1.77 -0.91 5.08 -4.23 -1.26 -1.09 115.64 111.02 2yrl s THR 25 Ca 0.30 -0.84 -0.12 0.00 -1.18 0.00 0.00 61.69 59.85 2yrl s THR 25 Cb 0.02 -1.55 0.23 0.00 1.34 0.00 0.00 72.50 72.55 2yrl s THR 25 CO 0.11 0.49 0.85 -0.76 -0.54 0.00 0.00 174.62 174.78 2yrl s LEU 26 N 0.53 6.53 -0.33 4.79 1.43 0.98 -4.92 118.68 127.69 2yrl s LEU 26 Ca -0.16 -3.01 -0.28 0.00 -1.03 0.00 0.00 54.13 49.65 2yrl s LEU 26 Cb -0.17 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 43.89 2yrl s LEU 26 CO 0.06 -0.46 1.04 1.51 0.23 0.00 0.00 176.35 178.72 2yrl s ASP 27 N 1.75 6.87 -0.42 2.29 -4.77 -1.26 -1.89 116.67 119.24 2yrl s ASP 27 Ca 0.22 0.95 0.05 0.00 -3.30 0.00 0.00 52.55 50.47 2yrl s ASP 27 Cb -0.10 -2.52 0.56 0.00 -1.09 0.00 0.00 42.92 39.76 2yrl s ASP 27 CO -0.09 -0.86 1.73 0.61 0.70 0.00 0.00 175.17 177.26 2yrl n GLY 28 N 3.98 5.03 0.14 2.12 0.00 0.69 -4.53 105.19 112.61 2yrl n GLY 28 Ca 0.11 -1.47 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 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 1.27 0.72 -1.00 1.61 0.02 -1.88 -3.31 113.55 110.97 2yrl h SER 29 Ca 0.47 -0.81 0.39 0.00 -0.84 0.00 0.00 61.79 61.01 2yrl h SER 29 Cb 2.00 -0.23 -0.18 0.00 0.14 0.00 0.00 62.40 64.12 2yrl h SER 29 CO 0.93 1.64 0.45 0.11 -1.14 0.00 0.00 176.83 178.82 2yrl h LYS 30 N 0.13 0.00 -4.79 3.45 1.57 -1.83 -3.42 116.57 111.68 2yrl h LYS 30 Ca -0.25 -0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.06 2yrl h LYS 30 Cb 2.12 -0.00 0.15 0.00 0.08 0.00 0.00 32.23 34.58 2yrl h LYS 30 CO 0.25 0.00 -0.94 0.45 -0.57 0.00 0.00 179.45 178.63 2yrl n SER 31 N -5.30 -3.00 -4.33 0.86 2.88 -1.25 -4.49 113.62 98.99 2yrl n SER 31 Ca 0.35 0.51 -0.62 0.00 -1.33 0.00 0.00 58.87 57.79 2yrl n SER 31 Cb 1.20 -0.68 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 2yrl n SER 31 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yrl n SER 32 N 2.03 1.09 0.10 -3.46 2.88 -1.26 -4.84 113.62 110.16 2yrl n SER 32 Ca 0.06 1.07 -0.23 0.00 -1.33 0.00 0.00 58.87 58.43 2yrl n SER 32 Cb 0.38 -0.81 -0.15 0.00 -0.75 0.00 0.00 64.21 62.88 2yrl n SER 32 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2yrl h ASP 33 N 4.74 0.68 -0.24 -3.46 3.58 -1.84 -3.38 116.42 116.50 2yrl h ASP 33 Ca -0.39 -0.93 0.02 0.00 0.42 0.00 0.00 57.03 56.16 2yrl h ASP 33 Cb 1.26 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 42.05 2yrl h ASP 33 CO 0.90 1.71 -0.14 0.47 -2.88 0.00 0.00 179.24 179.30 2yrl n ASP 34 N -3.73 -0.25 -4.58 2.28 8.00 -1.26 -2.56 116.55 114.45 2yrl n ASP 34 Ca -0.21 1.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.95 2yrl n ASP 34 Cb 1.05 -0.38 -0.00 0.00 -0.02 0.00 0.00 41.12 41.77 2yrl n ASP 34 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2yrl s GLN 35 N -3.66 3.89 0.32 -1.24 -0.21 -1.26 -4.96 119.66 112.53 2yrl s GLN 35 Ca -0.03 -1.92 -0.15 0.00 0.02 0.00 0.00 55.36 53.27 2yrl s GLN 35 Cb 0.03 -5.52 -0.12 0.00 1.00 0.00 0.00 33.01 28.40 2yrl s GLN 35 CO 0.15 -2.37 0.03 1.17 -2.12 0.00 0.00 175.29 172.15 2yrl n LYS 36 N 8.41 0.00 -5.03 2.91 3.00 -1.06 -4.86 118.16 121.53 2yrl n LYS 36 Ca 0.48 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.47 2yrl n LYS 36 Cb 0.46 -0.74 -0.15 0.00 0.00 0.00 0.00 35.03 34.60 2yrl n LYS 36 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2yrl s ILE 37 N -1.30 2.59 -0.37 3.15 1.09 -1.26 -4.22 121.20 120.87 2yrl s ILE 37 Ca 0.44 -0.86 0.05 0.00 -1.10 0.00 0.00 60.65 59.18 2yrl s ILE 37 Cb -0.45 -2.01 0.46 0.00 -1.06 0.00 0.00 42.46 39.40 2yrl s ILE 37 CO 0.47 0.56 1.38 2.30 -0.10 0.00 0.00 174.94 179.55 2yrl n ILE 38 N 3.03 2.76 -3.63 2.92 -5.35 -1.17 -4.98 119.36 112.94 2yrl n ILE 38 Ca -0.18 -3.89 -0.11 0.00 -0.27 0.00 0.00 62.75 58.29 2yrl n ILE 38 Cb 0.52 -1.11 -0.07 0.00 -1.74 0.00 0.00 39.64 37.24 2yrl n ILE 38 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2yrl s SER 39 N -3.19 -0.75 -0.17 7.28 0.01 -1.25 -4.90 113.70 110.73 2yrl s SER 39 Ca 0.54 1.37 -0.09 0.00 1.31 0.00 0.00 55.95 59.09 2yrl s SER 39 Cb 0.43 1.37 0.06 0.00 0.21 0.00 0.00 66.02 68.10 2yrl s SER 39 CO 0.03 -0.23 0.39 -0.31 0.41 0.00 0.00 173.24 173.53 2yrl s TYR 40 N 0.69 -0.60 -0.04 2.43 2.02 -1.26 -3.89 117.35 116.70 2yrl s TYR 40 Ca -0.02 1.26 -0.02 0.00 -0.37 0.00 0.00 57.07 57.92 2yrl s TYR 40 Cb -0.05 0.24 0.03 0.00 -0.40 0.00 0.00 41.96 41.78 2yrl s TYR 40 CO -0.05 -0.35 0.10 -1.17 -1.57 0.00 0.00 175.55 172.51 2yrl s LEU 41 N 1.54 1.03 -0.20 -1.29 2.96 -1.19 -4.25 118.68 117.28 2yrl s LEU 41 Ca -0.09 0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 2yrl s LEU 41 Cb -0.09 0.21 0.04 0.00 0.50 0.00 0.00 46.19 46.86 2yrl s LEU 41 CO -0.12 -0.12 -0.09 0.26 -1.32 0.00 0.00 176.35 174.96 2yrl s TRP 42 N 0.90 2.30 -0.00 5.38 0.52 -0.75 -2.95 118.94 124.35 2yrl s TRP 42 Ca -0.07 -1.52 -0.03 0.00 0.02 0.00 0.00 56.10 54.50 2yrl s TRP 42 Cb -0.10 -1.59 -0.01 0.00 -1.15 0.00 0.00 33.47 30.63 2yrl s TRP 42 CO -0.04 -0.73 0.05 -1.21 0.02 0.00 0.00 176.95 175.05 2yrl s GLU 43 N 1.43 0.28 -0.36 4.98 2.02 -1.21 -4.85 118.70 121.00 2yrl s GLU 43 Ca -0.01 -0.32 -0.23 0.00 0.02 0.00 0.00 54.97 54.43 2yrl s GLU 43 Cb -0.16 0.11 0.01 0.00 0.10 0.00 0.00 34.13 34.19 2yrl s GLU 43 CO -0.08 -0.06 0.79 0.21 0.02 0.00 0.00 175.26 176.15 2yrl s LYS 44 N -0.94 3.78 -0.11 1.61 2.20 -1.26 -1.63 119.74 123.40 2yrl s LYS 44 Ca -0.10 0.36 -0.18 0.00 -0.36 0.00 0.00 55.97 55.68 2yrl s LYS 44 Cb -0.06 -3.80 -0.16 0.00 -1.51 0.00 0.00 37.83 32.30 2yrl s LYS 44 CO 0.00 -0.84 0.57 1.79 -0.36 0.00 0.00 175.35 176.51 2yrl h THR 45 N 5.74 1.03 -0.55 3.43 1.35 -0.14 -3.48 112.91 120.28 2yrl h THR 45 Ca -0.25 -1.64 -0.65 0.00 -0.55 0.00 0.00 66.41 63.33 2yrl h THR 45 Cb 1.09 1.89 -0.11 0.00 -1.73 0.00 0.00 68.15 69.30 2yrl h THR 45 CO 0.91 0.33 -0.47 -1.10 -0.25 0.00 0.00 175.52 174.95 2yrl s GLN 46 N -2.32 2.20 0.00 4.72 -0.21 -1.10 -4.98 119.66 117.97 2yrl s GLN 46 Ca -0.12 -2.26 0.00 0.00 0.02 0.00 0.00 55.36 53.00 2yrl s GLN 46 Cb -0.01 -1.70 0.00 0.00 1.00 0.00 0.00 33.01 32.29 2yrl s GLN 46 CO 0.43 -0.39 0.00 0.41 -2.12 0.00 0.00 175.29 173.62 2yrl n GLY 47 N -1.37 0.96 3.75 3.09 0.00 -1.23 -2.81 105.19 107.58 2yrl n GLY 47 Ca -0.13 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.09 4.43 0.50 1.61 0.04 -1.26 -5.01 135.00 133.22 2yrl s PRO 48 Ca 0.00 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.92 2yrl s PRO 48 Cb 0.00 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.30 2yrl s PRO 48 CO 0.00 -0.15 0.98 0.34 0.04 0.00 0.00 177.00 178.21 2yrl s ASP 49 N -0.13 6.66 0.00 6.66 2.15 -1.26 -4.48 116.67 126.27 2yrl s ASP 49 Ca 0.52 1.58 0.00 0.00 0.43 0.00 0.00 52.55 55.08 2yrl s ASP 49 Cb -0.37 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.74 2yrl s ASP 49 CO 0.43 -0.56 0.00 0.61 -0.17 0.00 0.00 175.17 175.48 2yrl n GLY 50 N -1.46 3.92 3.41 2.66 0.00 -1.26 -5.13 105.19 107.34 2yrl n GLY 50 Ca 0.07 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 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 -5.16 1.61 0.24 -1.26 -4.97 118.33 108.79 2yrl n VAL 51 Ca 0.00 -0.21 -0.32 0.00 -2.04 0.00 0.00 64.34 61.77 2yrl n VAL 51 Cb 0.00 -0.68 -0.16 0.00 -1.47 0.00 0.00 33.84 31.53 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 -3.74 2.88 -0.16 7.34 -1.52 0.15 -4.94 119.66 119.67 2yrl s GLN 52 Ca 0.58 -0.85 -0.01 0.00 -1.95 0.00 0.00 55.36 53.13 2yrl s GLN 52 Cb -0.19 -2.30 -0.01 0.00 -0.22 0.00 0.00 33.01 30.28 2yrl s GLN 52 CO 0.66 0.28 -0.11 -0.51 -0.25 0.00 0.00 175.29 175.36 2yrl s LEU 53 N 0.10 2.73 0.27 2.90 1.43 -1.26 -0.81 118.68 124.03 2yrl s LEU 53 Ca -0.10 -0.37 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2yrl s LEU 53 Cb -0.16 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 2yrl s LEU 53 CO 0.06 0.10 0.04 -1.61 0.23 0.00 0.00 176.35 175.18 2yrl s GLU 54 N 0.73 2.41 -0.48 1.70 0.41 -0.37 -4.56 118.70 118.54 2yrl s GLU 54 Ca -0.05 -1.37 0.00 0.00 -0.41 0.00 0.00 54.97 53.14 2yrl s GLU 54 Cb -0.15 -2.23 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 2yrl s GLU 54 CO 0.02 0.35 0.00 0.09 -0.49 0.00 0.00 175.26 175.22 2yrl n ASN 55 N -0.97 -1.95 0.13 -0.19 3.02 -1.26 -2.76 115.26 111.28 2yrl n ASN 55 Ca -0.06 0.29 0.19 0.00 -0.03 0.00 0.00 54.58 54.97 2yrl n ASN 55 Cb 0.59 -1.86 0.76 0.00 -0.61 0.00 0.00 39.78 38.66 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 1.16 2.01 -0.51 5.41 0.00 -1.85 0.17 119.26 125.64 2yrl h ALA 56 Ca -0.12 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.50 2yrl h ALA 56 Cb 0.85 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.50 2yrl h ALA 56 CO 0.15 -0.59 0.35 -1.71 0.00 0.00 0.00 179.25 177.45 2yrl n ASN 57 N -3.62 3.74 -4.26 0.00 2.85 -1.26 -1.80 115.26 110.90 2yrl n ASN 57 Ca 0.06 -2.86 -0.14 0.00 -0.11 0.00 0.00 54.58 51.53 2yrl n ASN 57 Cb 0.57 -0.72 -0.10 0.00 1.24 0.00 0.00 39.78 40.78 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 -0.16 0.72 0.36 1.20 0.01 0.59 -4.76 113.70 111.66 2yrl s SER 58 Ca 0.30 -1.37 0.04 0.00 1.31 0.00 0.00 55.95 56.23 2yrl s SER 58 Cb 0.25 0.26 0.67 0.00 0.21 0.00 0.00 66.02 67.41 2yrl s SER 58 CO 0.05 -0.77 1.99 0.77 0.41 0.00 0.00 173.24 175.69 2yrl h SER 59 N 2.52 0.63 -3.27 2.44 4.64 -1.90 -3.40 113.55 115.21 2yrl h SER 59 Ca -0.37 -0.04 -0.66 0.00 -0.47 0.00 0.00 61.79 60.25 2yrl h SER 59 Cb 1.24 -0.16 -0.30 0.00 -0.31 0.00 0.00 62.40 62.87 2yrl h SER 59 CO 0.58 0.50 -0.79 -0.69 -0.87 0.00 0.00 176.83 175.56 2yrl s VAL 60 N -5.52 2.77 0.30 0.95 1.01 -1.26 -0.23 120.40 118.42 2yrl s VAL 60 Ca -0.09 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.26 2yrl s VAL 60 Cb 0.17 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2yrl s VAL 60 CO 0.76 0.49 0.11 0.00 0.00 0.00 0.00 175.10 176.46 2yrl s ALA 61 N 1.07 3.42 -0.08 5.51 0.00 -0.79 -4.74 121.76 126.15 2yrl s ALA 61 Ca -0.00 -1.67 -0.00 0.00 0.00 0.00 0.00 51.96 50.28 2yrl s ALA 61 Cb -0.15 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.11 2yrl s ALA 61 CO -0.03 0.16 -0.04 0.99 0.00 0.00 0.00 175.76 176.83 2yrl s THR 62 N -2.32 0.68 -0.08 0.00 2.01 -1.11 -0.01 115.64 114.80 2yrl s THR 62 Ca 0.35 -0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.20 2yrl s THR 62 Cb -0.05 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 2yrl s THR 62 CO 0.22 0.29 0.06 -0.69 -0.69 0.00 0.00 174.62 173.81 2yrl s VAL 63 N 1.50 4.76 0.08 3.82 1.01 -0.25 -1.24 120.40 130.08 2yrl s VAL 63 Ca -0.01 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.84 2yrl s VAL 63 Cb -0.13 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2yrl s VAL 63 CO -0.04 0.56 -0.05 0.42 0.00 0.00 0.00 175.10 175.99 2yrl s THR 64 N -0.99 0.52 -0.26 3.92 -4.23 0.01 -2.15 115.64 112.46 2yrl s THR 64 Ca 0.16 -1.89 -0.00 0.00 -1.18 0.00 0.00 61.69 58.77 2yrl s THR 64 Cb -0.12 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.08 2yrl s THR 64 CO 0.05 -0.91 0.00 0.61 -0.54 0.00 0.00 174.62 173.84 2yrl n GLY 65 N 0.01 0.25 3.87 3.99 0.00 -0.99 -0.67 105.19 111.64 2yrl n GLY 65 Ca -0.13 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.90 2.83 0.01 0.99 1.43 -0.94 -4.38 118.68 117.72 2yrl s LEU 66 Ca 0.00 1.16 -0.23 0.00 -1.03 0.00 0.00 54.13 54.03 2yrl s LEU 66 Cb -0.00 -3.91 0.05 0.00 0.03 0.00 0.00 46.19 42.36 2yrl s LEU 66 CO 0.00 -1.48 0.52 -1.10 0.23 0.00 0.00 176.35 174.52 2yrl s GLN 67 N -5.33 0.96 -0.79 1.70 -0.21 -1.26 -4.77 119.66 109.96 2yrl s GLN 67 Ca 0.59 -0.10 -0.16 0.00 0.02 0.00 0.00 55.36 55.71 2yrl s GLN 67 Cb -0.12 0.44 -0.22 0.00 1.00 0.00 0.00 33.01 34.11 2yrl s GLN 67 CO 0.52 -0.32 1.92 0.28 -2.12 0.00 0.00 175.29 175.57 2yrl n VAL 68 N 0.72 0.00 -3.76 1.09 0.31 -1.26 -4.66 118.33 110.76 2yrl n VAL 68 Ca -0.19 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 2yrl n VAL 68 Cb 0.59 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 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 4.75 0.78 3.44 2.92 0.00 -1.17 -4.97 105.19 110.93 2yrl n GLY 69 Ca 0.53 -0.86 -0.34 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 -2.24 3.73 -0.12 2.61 2.01 -1.26 -2.26 115.64 118.11 2yrl s THR 70 Ca 0.00 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.61 2yrl s THR 70 Cb -0.00 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.88 2yrl s THR 70 CO 0.00 0.46 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.96 2yrl s TYR 71 N 0.74 1.86 -0.31 4.92 1.51 -0.72 -3.50 117.35 121.84 2yrl s TYR 71 Ca -0.02 -0.95 -0.05 0.00 -1.01 0.00 0.00 57.07 55.05 2yrl s TYR 71 Cb -0.14 -1.40 0.04 0.00 -0.11 0.00 0.00 41.96 40.34 2yrl s TYR 71 CO 0.02 -0.54 0.06 0.08 -1.11 0.00 0.00 175.55 174.05 2yrl s VAL 72 N 1.36 3.50 -0.22 0.71 1.01 -1.12 -1.03 120.40 124.62 2yrl s VAL 72 Ca 0.01 -1.13 -0.05 0.00 0.00 0.00 0.00 61.98 60.80 2yrl s VAL 72 Cb -0.13 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 2yrl s VAL 72 CO -0.07 -0.09 0.01 -0.36 0.00 0.00 0.00 175.10 174.59 2yrl s PHE 73 N 1.37 3.03 -0.17 5.22 0.40 -1.16 0.65 117.98 127.33 2yrl s PHE 73 Ca -0.02 -0.54 -0.10 0.00 -0.60 0.00 0.00 56.93 55.67 2yrl s PHE 73 Cb -0.19 -2.12 -0.05 0.00 0.51 0.00 0.00 43.02 41.17 2yrl s PHE 73 CO 0.01 -0.33 0.17 0.99 0.70 0.00 0.00 175.22 176.76 2yrl s THR 74 N 1.23 5.40 -0.44 0.64 2.01 -0.64 -1.56 115.64 122.28 2yrl s THR 74 Ca 0.03 0.28 -0.09 0.00 0.31 0.00 0.00 61.69 62.22 2yrl s THR 74 Cb -0.15 -3.49 0.09 0.00 0.01 0.00 0.00 72.50 68.97 2yrl s THR 74 CO 0.01 0.48 0.30 -0.22 -0.69 0.00 0.00 174.62 174.50 2yrl s LEU 75 N -0.02 5.37 -0.47 4.42 2.96 -0.02 -3.35 118.68 127.57 2yrl s LEU 75 Ca 0.12 -1.64 -0.17 0.00 -0.22 0.00 0.00 54.13 52.22 2yrl s LEU 75 Cb -0.12 -2.00 0.06 0.00 0.50 0.00 0.00 46.19 44.62 2yrl s LEU 75 CO 0.01 -0.60 0.46 -0.89 -1.32 0.00 0.00 176.35 174.01 2yrl s THR 76 N 1.41 5.11 0.30 3.68 2.01 -1.15 -3.31 115.64 123.69 2yrl s THR 76 Ca 0.04 -0.76 0.10 0.00 0.31 0.00 0.00 61.69 61.38 2yrl s THR 76 Cb -0.24 -4.15 -0.05 0.00 0.01 0.00 0.00 72.50 68.07 2yrl s THR 76 CO 0.01 -0.60 -0.07 0.68 -0.69 0.00 0.00 174.62 173.95 2yrl s VAL 77 N 2.00 2.76 0.11 3.82 -7.23 -1.26 -3.17 120.40 117.44 2yrl s VAL 77 Ca 0.08 -2.12 0.06 0.00 -1.81 0.00 0.00 61.98 58.20 2yrl s VAL 77 Cb -0.21 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.05 2yrl s VAL 77 CO 0.09 -0.31 -0.15 -0.54 -0.31 0.00 0.00 175.10 173.89 2yrl s LYS 78 N -3.63 1.00 0.30 4.82 1.02 -1.25 -2.97 119.74 119.02 2yrl s LYS 78 Ca 0.32 -1.20 0.03 0.00 0.02 0.00 0.00 55.97 55.15 2yrl s LYS 78 Cb -0.03 -0.93 0.03 0.00 -0.52 0.00 0.00 37.83 36.38 2yrl s LYS 78 CO 0.18 0.19 0.28 -3.47 -0.92 0.00 0.00 175.35 171.60 2yrl n ASP 79 N 0.68 1.68 -0.04 2.83 2.03 -1.13 -3.05 116.55 119.55 2yrl n ASP 79 Ca -0.17 -1.94 0.01 0.00 0.52 0.00 0.00 54.79 53.21 2yrl n ASP 79 Cb 0.56 -0.08 0.32 0.00 -0.72 0.00 0.00 41.12 41.20 2yrl n ASP 79 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2yrl h GLU 80 N 0.00 0.63 -0.48 -0.67 4.11 -1.90 -0.82 114.58 115.46 2yrl h GLU 80 Ca -0.17 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.17 2yrl h GLU 80 Cb 0.67 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2yrl h GLU 80 CO 0.26 0.52 0.00 0.54 0.07 0.00 0.00 179.01 180.41 2yrl n ARG 81 N -4.36 1.51 -2.10 1.06 1.74 -1.26 -4.84 116.66 108.40 2yrl n ARG 81 Ca 0.03 -0.55 -0.17 0.00 -0.77 0.00 0.00 57.85 56.40 2yrl n ARG 81 Cb 0.15 -1.34 -0.02 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.00 -4.97 -4.67 0.55 3.02 -0.31 -4.93 115.26 103.96 2yrl n ASN 82 Ca 0.05 0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 54.27 2yrl n ASN 82 Cb 0.25 -4.04 -0.03 0.00 -0.61 0.00 0.00 39.78 35.36 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 -4.56 4.31 -0.26 3.41 1.43 -1.26 -4.76 118.68 116.99 2yrl s LEU 83 Ca 0.00 2.17 -0.16 0.00 -1.03 0.00 0.00 54.13 55.11 2yrl s LEU 83 Cb 0.00 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 2yrl s LEU 83 CO 0.00 -0.86 0.43 -1.58 0.23 0.00 0.00 176.35 174.57 2yrl s GLN 84 N 3.50 4.05 0.44 1.70 0.74 -1.26 -2.83 119.66 126.00 2yrl s GLN 84 Ca 0.69 0.17 0.00 0.00 0.05 0.00 0.00 55.36 56.27 2yrl s GLN 84 Cb -0.32 -3.65 0.00 0.00 1.10 0.00 0.00 33.01 30.14 2yrl s GLN 84 CO 0.27 -0.30 0.00 -1.13 -0.55 0.00 0.00 175.29 173.59 2yrl n SER 85 N 5.38 3.21 -3.62 6.67 3.41 -1.16 -4.80 113.62 122.71 2yrl n SER 85 Ca -0.07 -2.91 -0.14 0.00 -0.26 0.00 0.00 58.87 55.49 2yrl n SER 85 Cb 0.50 0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.69 2yrl n SER 85 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2yrl s GLN 86 N -3.58 0.81 -0.29 4.33 0.74 -1.26 -4.27 119.66 116.14 2yrl s GLN 86 Ca 0.00 0.88 -0.05 0.00 0.05 0.00 0.00 55.36 56.24 2yrl s GLN 86 Cb -0.00 0.39 0.16 0.00 1.10 0.00 0.00 33.01 34.66 2yrl s GLN 86 CO 0.00 -0.11 0.58 -1.54 -0.55 0.00 0.00 175.29 173.67 2yrl s SER 87 N 0.21 -1.07 0.08 6.67 1.04 -1.21 -4.63 113.70 114.79 2yrl s SER 87 Ca -0.01 1.05 -0.01 0.00 0.48 0.00 0.00 55.95 57.47 2yrl s SER 87 Cb -0.05 2.06 -0.04 0.00 0.10 0.00 0.00 66.02 68.09 2yrl s SER 87 CO 0.01 -0.25 0.24 -0.94 0.98 0.00 0.00 173.24 173.28 2yrl s SER 88 N 2.82 6.38 -0.08 7.02 1.04 -1.26 -0.84 113.70 128.79 2yrl s SER 88 Ca 0.10 0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.88 2yrl s SER 88 Cb -0.14 -1.98 0.01 0.00 0.10 0.00 0.00 66.02 64.01 2yrl s SER 88 CO -0.19 0.15 -0.17 0.54 0.98 0.00 0.00 173.24 174.54 2yrl s VAL 89 N -1.54 1.53 -0.36 5.02 0.11 -0.60 -4.88 120.40 119.67 2yrl s VAL 89 Ca 0.36 -0.72 -0.26 0.00 -2.93 0.00 0.00 61.98 58.43 2yrl s VAL 89 Cb -0.13 -1.35 0.02 0.00 -1.53 0.00 0.00 36.38 33.38 2yrl s VAL 89 CO 0.27 0.44 0.95 0.20 -3.33 0.00 0.00 175.10 173.64 2yrl s ASN 90 N 0.48 6.71 -0.42 3.54 -0.87 -1.26 -2.96 114.94 120.16 2yrl s ASN 90 Ca -0.16 0.64 -0.07 0.00 -1.57 0.00 0.00 52.86 51.71 2yrl s ASN 90 Cb -0.16 -2.48 0.10 0.00 -0.02 0.00 0.00 41.25 38.69 2yrl s ASN 90 CO 0.06 -0.87 0.25 -0.69 -2.57 0.00 0.00 177.10 173.27 2yrl s VAL 91 N 3.53 3.84 -0.26 1.60 1.01 -0.19 -0.78 120.40 129.15 2yrl s VAL 91 Ca 0.39 -1.71 -0.13 0.00 0.00 0.00 0.00 61.98 60.54 2yrl s VAL 91 Cb -0.12 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2yrl s VAL 91 CO 0.19 -0.61 0.27 -0.63 0.00 0.00 0.00 175.10 174.31 2yrl s ILE 92 N 1.31 5.26 -0.23 2.22 1.01 0.26 -1.76 121.20 129.27 2yrl s ILE 92 Ca 0.05 0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.98 2yrl s ILE 92 Cb -0.24 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2yrl s ILE 92 CO -0.01 0.24 0.09 -0.69 0.00 0.00 0.00 174.94 174.58 2yrl s VAL 93 N 1.65 4.74 0.17 2.92 1.01 -0.96 -1.79 120.40 128.15 2yrl s VAL 93 Ca 0.11 -0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.15 2yrl s VAL 93 Cb -0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2yrl s VAL 93 CO 0.09 0.37 -0.13 -0.54 0.00 0.00 0.00 175.10 174.89 2yrl s LYS 94 N 1.11 1.93 0.56 2.72 1.02 0.22 -3.06 119.74 124.25 2yrl s LYS 94 Ca 0.05 -1.28 -0.12 0.00 0.02 0.00 0.00 55.97 54.63 2yrl s LYS 94 Cb -0.14 -2.11 -0.05 0.00 -0.52 0.00 0.00 37.83 35.01 2yrl s LYS 94 CO 0.04 0.44 0.98 -1.83 -0.92 0.00 0.00 175.35 174.06 2yrl s GLU 95 N -2.66 3.73 0.67 1.68 -1.05 -1.26 -0.14 118.70 119.66 2yrl s GLU 95 Ca 0.23 0.76 -0.17 0.00 -0.15 0.00 0.00 54.97 55.64 2yrl s GLU 95 Cb -0.09 -2.14 0.01 0.00 -0.44 0.00 0.00 34.13 31.47 2yrl s GLU 95 CO 0.13 -0.41 1.25 -2.00 0.95 0.00 0.00 175.26 175.18 2yrl s GLU 96 N -4.69 2.45 -1.00 -4.83 2.12 -1.25 -4.58 118.70 106.92 2yrl s GLU 96 Ca 0.56 1.91 -0.13 0.00 0.36 0.00 0.00 54.97 57.66 2yrl s GLU 96 Cb -0.11 -1.85 0.21 0.00 0.26 0.00 0.00 34.13 32.64 2yrl s GLU 96 CO 0.44 -1.64 1.06 0.45 -0.54 0.00 0.00 175.26 175.03 2yrl s SER 97 N -1.67 6.96 0.06 -1.70 0.15 -1.26 -5.01 113.70 111.23 2yrl s SER 97 Ca 0.79 -2.89 0.07 0.00 0.70 0.00 0.00 55.95 54.62 2yrl s SER 97 Cb -0.33 -2.28 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 2yrl s SER 97 CO 0.41 -0.61 -0.21 -0.83 1.20 0.00 0.00 173.24 173.20 2yrl s GLY 98 N 2.31 1.14 1.09 9.45 0.00 -1.26 -5.15 107.32 114.91 2yrl s GLY 98 Ca 0.29 -1.10 -0.15 0.00 0.00 0.00 0.00 44.72 43.76 2yrl s GLY 98 CO -0.07 -1.05 1.10 2.56 0.00 0.00 0.00 173.10 175.64 2yrl s PRO 99 N -1.37 -0.33 -0.06 2.90 0.04 -1.26 -5.05 135.00 129.87 2yrl s PRO 99 Ca 0.07 0.25 -0.09 0.00 0.04 0.00 0.00 61.00 61.27 2yrl s PRO 99 Cb -0.09 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 2yrl s PRO 99 CO 0.02 -3.18 -0.17 0.43 0.04 0.00 0.00 177.00 174.14 2yrl n SER 100 N -4.45 1.33 0.09 6.66 7.64 -1.26 -4.76 113.62 118.87 2yrl n SER 100 Ca 0.08 0.21 0.11 0.00 1.01 0.00 0.00 58.87 60.28 2yrl n SER 100 Cb 0.58 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 63.22 2yrl n SER 100 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2yrl n SER 101 N -3.80 0.75 0.00 6.43 3.41 -1.26 -5.37 113.62 113.78 2yrl n SER 101 Ca -0.07 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 2yrl n SER 101 Cb 0.26 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 64.83 2yrl n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49