#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 2.67 0.93 1.61 0.01 -1.26 -4.99 113.70 112.68 2yrl s SER 2 Ca 0.00 1.99 -0.12 0.00 1.31 0.00 0.00 55.95 59.13 2yrl s SER 2 Cb 0.00 -2.49 0.15 0.00 0.21 0.00 0.00 66.02 63.89 2yrl s SER 2 CO 0.00 -3.23 1.09 -0.44 0.41 0.00 0.00 173.24 171.07 2yrl s SER 3 N -2.74 3.11 0.00 2.44 0.01 -1.26 -4.26 113.70 111.00 2yrl s SER 3 Ca 0.66 1.49 0.00 0.00 1.31 0.00 0.00 55.95 59.41 2yrl s SER 3 Cb -0.22 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2yrl s SER 3 CO 0.59 -2.87 0.00 0.61 0.41 0.00 0.00 173.24 171.98 2yrl n GLY 4 N -0.88 2.41 3.80 3.44 0.00 -1.26 -5.04 105.19 107.67 2yrl n GLY 4 Ca 0.07 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 2yrl n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yrl s SER 5 N 0.00 6.06 0.65 1.61 0.15 -1.26 -5.01 113.70 115.90 2yrl s SER 5 Ca 0.00 1.88 -0.16 0.00 0.70 0.00 0.00 55.95 58.37 2yrl s SER 5 Cb 0.00 -2.55 -0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2yrl s SER 5 CO 0.00 -0.98 1.15 -0.55 1.20 0.00 0.00 173.24 174.07 2yrl s SER 6 N -2.37 4.95 0.00 5.45 0.15 -1.26 -4.91 113.70 115.71 2yrl s SER 6 Ca 0.66 2.18 0.00 0.00 0.70 0.00 0.00 55.95 59.49 2yrl s SER 6 Cb -0.16 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2yrl s SER 6 CO 0.28 -1.74 0.00 0.61 1.20 0.00 0.00 173.24 173.59 2yrl n GLY 7 N -0.01 0.25 0.27 9.45 0.00 -1.26 -4.94 105.19 108.96 2yrl n GLY 7 Ca 0.12 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2yrl n GLY 7 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2yrl h GLN 8 N 0.00 0.81 -5.32 1.61 5.75 -1.91 -3.43 115.11 112.62 2yrl h GLN 8 Ca 0.00 -0.32 -0.66 0.00 -0.15 0.00 0.00 58.65 57.51 2yrl h GLN 8 Cb 0.00 -0.04 -0.28 0.00 1.07 0.00 0.00 27.48 28.23 2yrl h GLN 8 CO 0.00 0.95 -0.79 0.00 -2.65 0.00 0.00 178.83 176.34 2yrl s ALA 9 N -4.64 2.53 -0.59 3.38 0.00 -1.26 -4.20 121.76 116.98 2yrl s ALA 9 Ca -0.10 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 50.99 2yrl s ALA 9 Cb 0.13 -1.14 0.16 0.00 0.00 0.00 0.00 23.12 22.27 2yrl s ALA 9 CO 0.84 0.24 0.40 0.34 0.00 0.00 0.00 175.76 177.58 2yrl s ASP 10 N 0.37 4.11 0.48 0.00 2.15 -1.26 -4.59 116.67 117.94 2yrl s ASP 10 Ca -0.12 -3.43 0.14 0.00 0.43 0.00 0.00 52.55 49.57 2yrl s ASP 10 Cb -0.16 -1.39 1.14 0.00 -0.30 0.00 0.00 42.92 42.21 2yrl s ASP 10 CO 0.06 -0.15 2.09 0.00 -0.17 0.00 0.00 175.17 177.00 2yrl h ALA 11 N 5.81 1.97 0.00 3.66 0.00 -1.89 -3.43 119.26 125.39 2yrl h ALA 11 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2yrl h ALA 11 Cb 0.82 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2yrl h ALA 11 CO 0.63 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2yrl n GLY 12 N -1.53 2.16 2.54 0.00 0.00 -1.26 -4.63 105.19 102.46 2yrl n GLY 12 Ca 0.01 -2.15 -0.22 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.63 -2.57 -1.54 1.61 -0.04 -1.26 -4.79 135.00 125.78 2yrl n PRO 13 Ca 0.00 -1.27 -0.35 0.00 -0.04 0.00 0.00 63.50 61.85 2yrl n PRO 13 Cb 0.00 -1.19 0.08 0.00 -0.04 0.00 0.00 33.50 32.35 2yrl n PRO 13 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2yrl s ASP 14 N -3.64 4.38 -0.15 3.54 1.47 -1.26 -4.71 116.67 116.30 2yrl s ASP 14 Ca 0.52 2.37 0.02 0.00 1.18 0.00 0.00 52.55 56.63 2yrl s ASP 14 Cb -0.05 -2.59 0.01 0.00 -0.34 0.00 0.00 42.92 39.95 2yrl s ASP 14 CO 0.40 -2.14 -0.21 -0.54 0.68 0.00 0.00 175.17 173.36 2yrl s LYS 15 N -3.81 2.97 -0.26 2.11 -0.14 0.01 -5.01 119.74 115.61 2yrl s LYS 15 Ca 0.75 -0.83 0.02 0.00 -1.36 0.00 0.00 55.97 54.55 2yrl s LYS 15 Cb -0.30 -2.43 0.07 0.00 -1.68 0.00 0.00 37.83 33.49 2yrl s LYS 15 CO 0.43 -0.06 -0.07 -2.00 -0.76 0.00 0.00 175.35 172.90 2yrl s GLU 16 N 0.93 1.92 0.16 1.68 2.12 -1.26 -0.18 118.70 124.07 2yrl s GLU 16 Ca -0.04 -1.31 0.06 0.00 0.36 0.00 0.00 54.97 54.04 2yrl s GLU 16 Cb -0.15 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 2yrl s GLU 16 CO -0.04 -0.64 0.04 -0.51 -0.54 0.00 0.00 175.26 173.58 2yrl s LEU 17 N 1.17 3.49 -0.13 2.70 1.43 -0.70 -5.02 118.68 121.63 2yrl s LEU 17 Ca -0.05 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2yrl s LEU 17 Cb -0.19 -2.14 0.03 0.00 0.03 0.00 0.00 46.19 43.92 2yrl s LEU 17 CO -0.06 0.09 -0.05 -0.89 0.23 0.00 0.00 176.35 175.67 2yrl s THR 18 N -1.69 0.95 0.78 5.49 2.01 -1.26 -0.20 115.64 121.73 2yrl s THR 18 Ca 0.28 -0.38 -0.17 0.00 0.31 0.00 0.00 61.69 61.74 2yrl s THR 18 Cb -0.10 -1.07 -0.13 0.00 0.01 0.00 0.00 72.50 71.21 2yrl s THR 18 CO 0.20 0.24 -0.34 0.18 -0.69 0.00 0.00 174.62 174.20 2yrl n LEU 19 N 4.95 -4.09 0.00 4.42 4.77 -0.47 -1.91 117.00 124.67 2yrl n LEU 19 Ca -0.11 0.41 0.08 0.00 -0.03 0.00 0.00 56.01 56.35 2yrl n LEU 19 Cb 0.49 -0.87 0.43 0.00 -2.33 0.00 0.00 43.42 41.14 2yrl n LEU 19 CO 0.16 -5.13 0.68 -0.81 -1.33 0.00 0.00 177.39 170.95 2yrl n PRO 20 N 1.56 0.38 -1.53 3.23 -0.04 -1.26 -3.96 135.00 133.38 2yrl n PRO 20 Ca 0.03 0.05 -0.36 0.00 -0.04 0.00 0.00 63.50 63.19 2yrl n PRO 20 Cb 0.52 -1.50 -0.09 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 -1.10 -0.04 -1.87 0.52 0.31 -0.80 -4.73 118.33 110.60 2yrl n VAL 21 Ca 0.10 -0.43 -0.06 0.00 -0.01 0.00 0.00 64.34 63.94 2yrl n VAL 21 Cb 0.08 -1.65 0.12 0.00 -0.91 0.00 0.00 33.84 31.48 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 13.31 2.86 -3.72 4.52 5.68 -1.26 -4.19 116.55 133.75 2yrl n ASP 22 Ca 0.51 -3.64 -0.12 0.00 -0.50 0.00 0.00 54.79 51.05 2yrl n ASP 22 Cb 0.30 -0.44 -0.11 0.00 -1.14 0.00 0.00 41.12 39.73 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 -3.32 -0.44 0.17 -1.12 1.04 -1.26 -1.51 113.70 107.26 2yrl s SER 23 Ca 0.42 0.80 -0.02 0.00 0.48 0.00 0.00 55.95 57.64 2yrl s SER 23 Cb 0.38 0.74 -0.04 0.00 0.10 0.00 0.00 66.02 67.21 2yrl s SER 23 CO -0.03 -0.16 0.11 0.28 0.98 0.00 0.00 173.24 174.42 2yrl s THR 24 N 0.86 0.04 -0.16 2.02 -1.32 -0.76 -5.01 115.64 111.31 2yrl s THR 24 Ca -0.05 -1.93 0.01 0.00 -1.21 0.00 0.00 61.69 58.51 2yrl s THR 24 Cb -0.06 -2.28 0.02 0.00 -1.51 0.00 0.00 72.50 68.67 2yrl s THR 24 CO -0.06 -0.20 -0.16 0.42 -2.21 0.00 0.00 174.62 172.41 2yrl s THR 25 N -4.10 1.75 -0.84 5.08 -4.23 -1.26 -1.51 115.64 110.52 2yrl s THR 25 Ca 0.32 -0.76 -0.17 0.00 -1.18 0.00 0.00 61.69 59.90 2yrl s THR 25 Cb 0.07 -1.62 0.17 0.00 1.34 0.00 0.00 72.50 72.45 2yrl s THR 25 CO 0.07 0.47 0.91 -0.76 -0.54 0.00 0.00 174.62 174.77 2yrl s LEU 26 N 1.41 5.90 -0.07 4.79 1.43 0.53 -4.92 118.68 127.75 2yrl s LEU 26 Ca 0.05 -2.28 -0.22 0.00 -1.03 0.00 0.00 54.13 50.65 2yrl s LEU 26 Cb -0.13 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 2yrl s LEU 26 CO -0.11 -0.84 0.63 1.51 0.23 0.00 0.00 176.35 177.77 2yrl s ASP 27 N 2.95 6.92 -0.10 2.29 1.47 -1.26 -1.94 116.67 127.00 2yrl s ASP 27 Ca 0.23 1.10 0.14 0.00 1.18 0.00 0.00 52.55 55.20 2yrl s ASP 27 Cb -0.10 -2.38 0.29 0.00 -0.34 0.00 0.00 42.92 40.40 2yrl s ASP 27 CO -0.07 -0.05 1.14 0.61 0.68 0.00 0.00 175.17 177.48 2yrl n GLY 28 N 3.02 3.28 0.22 2.12 0.00 0.16 -4.70 105.19 109.29 2yrl n GLY 28 Ca -0.04 -0.88 0.15 0.00 0.00 0.00 0.00 46.02 45.25 2yrl n GLY 28 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2yrl h SER 29 N 0.46 0.00 -1.01 1.61 4.64 -1.88 -2.03 113.55 115.33 2yrl h SER 29 Ca -0.04 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.63 2yrl h SER 29 Cb 1.25 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.07 2yrl h SER 29 CO 0.02 0.00 0.84 0.29 -0.87 0.00 0.00 176.83 177.11 2yrl n LYS 30 N -2.52 2.60 -0.25 4.77 4.76 -1.26 -4.62 118.16 121.63 2yrl n LYS 30 Ca -0.02 -3.11 -0.06 0.00 -2.87 0.00 0.00 58.31 52.25 2yrl n LYS 30 Cb 0.06 -2.21 0.05 0.00 -1.84 0.00 0.00 35.03 31.09 2yrl n LYS 30 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2yrl h SER 31 N 2.02 0.87 -5.36 4.39 4.64 -1.63 -3.41 113.55 115.08 2yrl h SER 31 Ca 0.57 -0.11 -0.13 0.00 -0.47 0.00 0.00 61.79 61.65 2yrl h SER 31 Cb 0.77 -0.22 -0.10 0.00 -0.31 0.00 0.00 62.40 62.53 2yrl h SER 31 CO 1.49 0.73 -0.24 -0.44 -0.87 0.00 0.00 176.83 177.51 2yrl s SER 32 N -6.04 0.12 0.27 4.97 0.01 -1.26 -4.07 113.70 107.72 2yrl s SER 32 Ca -0.13 -1.12 0.01 0.00 1.31 0.00 0.00 55.95 56.02 2yrl s SER 32 Cb 0.14 0.56 0.65 0.00 0.21 0.00 0.00 66.02 67.58 2yrl s SER 32 CO 0.79 -1.11 1.38 -0.90 0.41 0.00 0.00 173.24 173.82 2yrl n ASP 33 N -0.53 -0.12 -3.24 2.44 5.75 -1.26 -4.57 116.55 115.02 2yrl n ASP 33 Ca -0.00 1.50 -0.16 0.00 -0.01 0.00 0.00 54.79 56.12 2yrl n ASP 33 Cb 0.63 -0.54 -0.04 0.00 -1.03 0.00 0.00 41.12 40.14 2yrl n ASP 33 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2yrl n ASP 34 N -5.30 2.32 -3.57 -1.12 8.00 -1.26 -5.06 116.55 110.56 2yrl n ASP 34 Ca 0.20 -2.17 -0.41 0.00 0.71 0.00 0.00 54.79 53.13 2yrl n ASP 34 Cb 0.66 0.28 0.02 0.00 -0.02 0.00 0.00 41.12 42.06 2yrl n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yrl n GLN 35 N -0.62 5.19 0.00 -1.24 3.00 -1.26 -4.63 117.38 117.81 2yrl n GLN 35 Ca -0.09 -4.47 0.14 0.00 -0.01 0.00 0.00 57.00 52.57 2yrl n GLN 35 Cb 0.33 -2.47 0.54 0.00 0.00 0.00 0.00 30.24 28.65 2yrl n GLN 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2yrl n LYS 36 N 0.09 0.32 -2.54 -1.09 5.02 -1.26 -4.74 118.16 113.96 2yrl n LYS 36 Ca 0.49 -0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 56.27 2yrl n LYS 36 Cb 0.26 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 2yrl n LYS 36 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2yrl s ILE 37 N -2.75 3.85 -0.27 -0.18 1.09 -1.26 -3.84 121.20 117.84 2yrl s ILE 37 Ca 0.21 0.65 0.01 0.00 -1.10 0.00 0.00 60.65 60.42 2yrl s ILE 37 Cb 0.19 -4.77 0.33 0.00 -1.06 0.00 0.00 42.46 37.15 2yrl s ILE 37 CO 0.54 -1.55 1.63 2.30 -0.10 0.00 0.00 174.94 177.75 2yrl n ILE 38 N 6.57 2.36 -3.62 2.92 -6.64 -1.22 -4.85 119.36 114.89 2yrl n ILE 38 Ca 0.07 -1.23 -0.15 0.00 -1.77 0.00 0.00 62.75 59.66 2yrl n ILE 38 Cb 0.49 -0.86 -0.07 0.00 -1.44 0.00 0.00 39.64 37.76 2yrl n ILE 38 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 2yrl s SER 39 N -0.20 -0.55 -0.16 7.28 0.15 -1.22 -4.94 113.70 114.05 2yrl s SER 39 Ca 0.32 0.77 -0.07 0.00 0.70 0.00 0.00 55.95 57.67 2yrl s SER 39 Cb 0.26 0.75 0.07 0.00 -1.71 0.00 0.00 66.02 65.39 2yrl s SER 39 CO 0.04 -0.43 0.37 -0.31 1.20 0.00 0.00 173.24 174.11 2yrl s TYR 40 N -0.66 -0.59 -0.07 3.44 2.02 -1.26 -4.23 117.35 116.00 2yrl s TYR 40 Ca -0.07 1.23 -0.05 0.00 -0.37 0.00 0.00 57.07 57.81 2yrl s TYR 40 Cb -0.03 0.20 0.03 0.00 -0.40 0.00 0.00 41.96 41.76 2yrl s TYR 40 CO 0.05 -0.36 0.18 -1.17 -1.57 0.00 0.00 175.55 172.68 2yrl s LEU 41 N 1.84 0.96 -0.11 -1.29 2.96 -0.86 -3.75 118.68 118.44 2yrl s LEU 41 Ca -0.06 0.36 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 2yrl s LEU 41 Cb -0.10 0.54 0.02 0.00 0.50 0.00 0.00 46.19 47.15 2yrl s LEU 41 CO -0.12 -0.11 -0.12 0.26 -1.32 0.00 0.00 176.35 174.95 2yrl s TRP 42 N 0.67 1.77 -0.02 5.38 0.52 -0.07 -0.70 118.94 126.48 2yrl s TRP 42 Ca -0.05 -0.87 -0.04 0.00 0.02 0.00 0.00 56.10 55.17 2yrl s TRP 42 Cb -0.06 -1.34 0.00 0.00 -1.15 0.00 0.00 33.47 30.92 2yrl s TRP 42 CO -0.03 -0.50 0.10 -1.21 0.02 0.00 0.00 176.95 175.32 2yrl s GLU 43 N 1.28 0.23 -0.36 4.98 2.02 -1.13 -4.83 118.70 120.88 2yrl s GLU 43 Ca -0.02 -0.07 -0.28 0.00 0.02 0.00 0.00 54.97 54.63 2yrl s GLU 43 Cb -0.14 0.10 0.02 0.00 0.10 0.00 0.00 34.13 34.21 2yrl s GLU 43 CO -0.05 -0.04 1.02 0.21 0.02 0.00 0.00 175.26 176.42 2yrl s LYS 44 N -0.46 3.92 -0.10 1.61 2.20 -1.26 -1.17 119.74 124.48 2yrl s LYS 44 Ca -0.05 0.79 -0.17 0.00 -0.36 0.00 0.00 55.97 56.18 2yrl s LYS 44 Cb -0.03 -3.79 -0.14 0.00 -1.51 0.00 0.00 37.83 32.36 2yrl s LYS 44 CO 0.00 -1.00 0.54 1.79 -0.36 0.00 0.00 175.35 176.32 2yrl h THR 45 N 5.85 0.88 -4.76 3.43 1.35 -0.74 -3.48 112.91 115.44 2yrl h THR 45 Ca -0.22 -1.50 -0.48 0.00 -0.55 0.00 0.00 66.41 63.65 2yrl h THR 45 Cb 1.07 1.61 -0.09 0.00 -1.73 0.00 0.00 68.15 69.00 2yrl h THR 45 CO 1.03 0.28 -0.35 0.00 -0.25 0.00 0.00 175.52 176.22 2yrl n GLN 46 N -4.77 1.06 0.00 4.72 6.02 -1.03 -5.00 117.38 118.38 2yrl n GLN 46 Ca -0.06 -2.73 0.00 0.00 -0.01 0.00 0.00 57.00 54.20 2yrl n GLN 46 Cb 0.25 0.79 0.00 0.00 1.02 0.00 0.00 30.24 32.30 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 0.47 0.48 3.77 1.08 0.00 -1.25 -2.99 105.19 106.75 2yrl n GLY 47 Ca -0.15 -1.86 -0.34 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 -2.04 3.14 0.41 1.61 0.04 -1.25 -5.00 135.00 131.92 2yrl s PRO 48 Ca 0.00 1.53 -0.05 0.00 0.04 0.00 0.00 61.00 62.52 2yrl s PRO 48 Cb 0.00 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2yrl s PRO 48 CO 0.00 -1.00 0.69 0.34 0.04 0.00 0.00 177.00 177.07 2yrl s ASP 49 N -2.09 6.33 0.00 6.66 2.15 -1.26 -4.61 116.67 123.86 2yrl s ASP 49 Ca 0.70 0.81 0.00 0.00 0.43 0.00 0.00 52.55 54.50 2yrl s ASP 49 Cb -0.23 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2yrl s ASP 49 CO 0.33 -0.43 0.00 0.61 -0.17 0.00 0.00 175.17 175.51 2yrl n GLY 50 N -1.80 3.80 3.15 2.66 0.00 -1.26 -5.12 105.19 106.61 2yrl n GLY 50 Ca -0.01 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.99 1.61 0.24 -1.26 -4.98 118.33 109.95 2yrl n VAL 51 Ca 0.00 -0.27 -0.30 0.00 -2.04 0.00 0.00 64.34 61.74 2yrl n VAL 51 Cb 0.00 -0.26 -0.16 0.00 -1.47 0.00 0.00 33.84 31.95 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 2.07 -0.19 7.34 -1.52 0.11 -4.95 119.66 119.87 2yrl s GLN 52 Ca 0.46 -0.60 -0.18 0.00 -1.95 0.00 0.00 55.36 53.09 2yrl s GLN 52 Cb -0.10 -2.13 -0.03 0.00 -0.22 0.00 0.00 33.01 30.53 2yrl s GLN 52 CO 0.72 -0.31 0.51 -0.51 -0.25 0.00 0.00 175.29 175.45 2yrl s LEU 53 N 1.50 4.16 -0.06 2.90 1.43 -1.26 -1.19 118.68 126.15 2yrl s LEU 53 Ca 0.03 0.68 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 2yrl s LEU 53 Cb -0.14 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 2yrl s LEU 53 CO -0.10 -0.16 -0.10 -1.61 0.23 0.00 0.00 176.35 174.61 2yrl s GLU 54 N 1.55 2.67 -1.44 1.70 2.02 0.06 -4.59 118.70 120.67 2yrl s GLU 54 Ca 0.24 -0.62 -0.10 0.00 0.02 0.00 0.00 54.97 54.51 2yrl s GLU 54 Cb -0.15 -2.50 0.04 0.00 0.10 0.00 0.00 34.13 31.62 2yrl s GLU 54 CO 0.10 0.63 1.05 0.09 0.02 0.00 0.00 175.26 177.14 2yrl n ASN 55 N 2.32 -5.75 0.25 -0.19 3.02 -1.26 -1.18 115.26 112.46 2yrl n ASN 55 Ca -0.18 -0.60 0.11 0.00 -0.03 0.00 0.00 54.58 53.88 2yrl n ASN 55 Cb 0.53 -4.56 0.64 0.00 -0.61 0.00 0.00 39.78 35.77 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 1.00 1.27 -0.14 5.41 0.00 -1.87 -2.21 119.26 122.72 2yrl h ALA 56 Ca -0.57 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 2yrl h ALA 56 Cb 1.37 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2yrl h ALA 56 CO 0.60 0.21 0.03 0.09 0.00 0.00 0.00 179.25 180.18 2yrl n ASN 57 N -3.68 2.27 -4.07 0.00 3.02 -1.26 -0.89 115.26 110.65 2yrl n ASN 57 Ca -0.02 -2.23 -0.23 0.00 -0.03 0.00 0.00 54.58 52.07 2yrl n ASN 57 Cb 0.29 -0.55 -0.09 0.00 -0.61 0.00 0.00 39.78 38.82 2yrl n ASN 57 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2yrl s SER 58 N -0.01 2.41 0.41 6.41 0.01 -0.83 -4.56 113.70 117.54 2yrl s SER 58 Ca 0.12 -1.63 0.23 0.00 1.31 0.00 0.00 55.95 55.97 2yrl s SER 58 Cb 0.09 0.43 0.58 0.00 0.21 0.00 0.00 66.02 67.33 2yrl s SER 58 CO 0.03 -0.90 1.68 -1.28 0.41 0.00 0.00 173.24 173.18 2yrl h SER 59 N 1.93 0.00 -3.69 2.44 0.87 -1.88 -3.40 113.55 109.82 2yrl h SER 59 Ca -0.35 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.57 2yrl h SER 59 Cb 1.26 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 62.83 2yrl h SER 59 CO 0.55 0.20 -0.76 -0.69 -0.53 0.00 0.00 176.83 175.61 2yrl s VAL 60 N -3.34 2.00 0.34 2.23 1.01 -1.26 0.40 120.40 121.79 2yrl s VAL 60 Ca 0.03 -1.86 0.07 0.00 0.00 0.00 0.00 61.98 60.22 2yrl s VAL 60 Cb 0.08 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2yrl s VAL 60 CO 0.66 -0.35 0.43 0.00 0.00 0.00 0.00 175.10 175.84 2yrl s ALA 61 N 1.11 4.15 -0.15 5.51 0.00 -0.82 -4.78 121.76 126.78 2yrl s ALA 61 Ca 0.02 -1.53 -0.04 0.00 0.00 0.00 0.00 51.96 50.40 2yrl s ALA 61 Cb -0.19 -1.53 0.06 0.00 0.00 0.00 0.00 23.12 21.47 2yrl s ALA 61 CO -0.08 -0.04 0.14 0.99 0.00 0.00 0.00 175.76 176.76 2yrl s THR 62 N -2.23 -0.19 -0.15 0.00 2.01 -0.33 -0.35 115.64 114.41 2yrl s THR 62 Ca 0.45 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.35 2yrl s THR 62 Cb -0.08 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 2yrl s THR 62 CO 0.30 -0.13 0.23 -0.69 -0.69 0.00 0.00 174.62 173.64 2yrl s VAL 63 N 2.23 5.35 0.20 3.82 1.01 -0.57 -0.76 120.40 131.68 2yrl s VAL 63 Ca 0.04 0.41 0.08 0.00 0.00 0.00 0.00 61.98 62.51 2yrl s VAL 63 Cb -0.15 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2yrl s VAL 63 CO -0.09 0.47 -0.16 0.42 0.00 0.00 0.00 175.10 175.75 2yrl s THR 64 N -0.03 1.83 0.00 3.92 -4.23 -0.33 -1.82 115.64 114.97 2yrl s THR 64 Ca 0.15 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 2yrl s THR 64 Cb -0.13 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.70 2yrl s THR 64 CO 0.03 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 2yrl n GLY 65 N -0.24 0.84 3.87 3.99 0.00 -0.57 -0.71 105.19 112.37 2yrl n GLY 65 Ca -0.09 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.65 3.30 0.07 0.99 1.43 -0.57 -4.23 118.68 119.02 2yrl s LEU 66 Ca 0.00 1.35 -0.06 0.00 -1.03 0.00 0.00 54.13 54.39 2yrl s LEU 66 Cb 0.00 -4.38 -0.01 0.00 0.03 0.00 0.00 46.19 41.83 2yrl s LEU 66 CO 0.00 -0.82 0.11 -1.10 0.23 0.00 0.00 176.35 174.78 2yrl s GLN 67 N -5.08 0.72 -0.91 1.70 -0.21 -1.26 -4.75 119.66 109.87 2yrl s GLN 67 Ca 0.54 -0.97 -0.16 0.00 0.02 0.00 0.00 55.36 54.79 2yrl s GLN 67 Cb -0.11 0.28 -0.26 0.00 1.00 0.00 0.00 33.01 33.93 2yrl s GLN 67 CO 0.52 -0.20 2.27 0.28 -2.12 0.00 0.00 175.29 176.04 2yrl n VAL 68 N 0.18 -0.00 -3.08 1.09 0.31 -1.26 -4.64 118.33 110.93 2yrl n VAL 68 Ca -0.16 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 2yrl n VAL 68 Cb 0.61 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 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 6.03 1.40 3.49 2.92 0.00 -1.23 -4.98 105.19 112.82 2yrl n GLY 69 Ca 0.60 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.45 3.66 -0.10 2.61 2.01 -1.26 -2.56 115.64 117.55 2yrl s THR 70 Ca 0.00 -0.45 -0.01 0.00 0.31 0.00 0.00 61.69 61.54 2yrl s THR 70 Cb 0.00 -2.57 0.03 0.00 0.01 0.00 0.00 72.50 69.97 2yrl s THR 70 CO 0.00 0.52 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.08 2yrl s TYR 71 N 0.11 1.33 -0.38 4.92 1.51 -0.59 -3.79 117.35 120.45 2yrl s TYR 71 Ca -0.02 -0.63 -0.05 0.00 -1.01 0.00 0.00 57.07 55.36 2yrl s TYR 71 Cb -0.14 -1.15 0.08 0.00 -0.11 0.00 0.00 41.96 40.64 2yrl s TYR 71 CO 0.03 -0.47 0.17 0.08 -1.11 0.00 0.00 175.55 174.25 2yrl s VAL 72 N 1.74 3.58 -0.22 0.71 1.01 -1.16 -1.10 120.40 124.96 2yrl s VAL 72 Ca 0.05 -1.61 -0.09 0.00 0.00 0.00 0.00 61.98 60.33 2yrl s VAL 72 Cb -0.13 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2yrl s VAL 72 CO -0.07 -0.46 0.12 -0.36 0.00 0.00 0.00 175.10 174.32 2yrl s PHE 73 N 1.28 3.28 -0.22 5.22 0.08 -1.20 0.04 117.98 126.47 2yrl s PHE 73 Ca 0.03 0.13 -0.04 0.00 0.12 0.00 0.00 56.93 57.16 2yrl s PHE 73 Cb -0.22 -2.19 -0.01 0.00 -0.57 0.00 0.00 43.02 40.03 2yrl s PHE 73 CO -0.01 0.08 -0.02 0.99 -0.10 0.00 0.00 175.22 176.16 2yrl s THR 74 N 0.80 3.54 -0.35 0.64 2.01 -0.32 -2.04 115.64 119.92 2yrl s THR 74 Ca 0.06 -0.44 -0.21 0.00 0.31 0.00 0.00 61.69 61.42 2yrl s THR 74 Cb -0.13 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.76 2yrl s THR 74 CO 0.02 0.41 0.64 -0.22 -0.69 0.00 0.00 174.62 174.79 2yrl s LEU 75 N 1.46 4.25 -0.33 4.42 2.96 -0.87 -2.85 118.68 127.71 2yrl s LEU 75 Ca 0.05 0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 54.03 2yrl s LEU 75 Cb -0.14 -2.80 -0.00 0.00 0.50 0.00 0.00 46.19 43.75 2yrl s LEU 75 CO -0.02 -0.60 0.19 -0.89 -1.32 0.00 0.00 176.35 173.71 2yrl s THR 76 N 2.73 4.75 0.07 3.68 2.01 0.12 -2.98 115.64 126.02 2yrl s THR 76 Ca 0.25 -0.48 0.06 0.00 0.31 0.00 0.00 61.69 61.83 2yrl s THR 76 Cb -0.14 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 2yrl s THR 76 CO 0.15 -0.02 -0.15 0.68 -0.69 0.00 0.00 174.62 174.58 2yrl s VAL 77 N 1.62 1.21 -0.04 3.82 -7.23 -0.85 -2.02 120.40 116.92 2yrl s VAL 77 Ca 0.04 -1.30 0.06 0.00 -1.81 0.00 0.00 61.98 58.97 2yrl s VAL 77 Cb -0.18 -1.14 -0.01 0.00 0.56 0.00 0.00 36.38 35.61 2yrl s VAL 77 CO 0.07 -0.17 -0.23 -0.54 -0.31 0.00 0.00 175.10 173.93 2yrl s LYS 78 N -1.68 2.12 0.79 4.82 1.02 -1.26 -2.92 119.74 122.63 2yrl s LYS 78 Ca -0.00 -0.82 -0.08 0.00 0.02 0.00 0.00 55.97 55.08 2yrl s LYS 78 Cb -0.10 -1.91 0.12 0.00 -0.52 0.00 0.00 37.83 35.43 2yrl s LYS 78 CO 0.02 0.41 1.11 0.34 -0.92 0.00 0.00 175.35 176.32 2yrl s ASP 79 N -0.30 4.15 0.55 2.83 2.15 -1.03 -3.38 116.67 121.65 2yrl s ASP 79 Ca 0.02 0.18 0.24 0.00 0.43 0.00 0.00 52.55 53.43 2yrl s ASP 79 Cb -0.11 -0.57 1.47 0.00 -0.30 0.00 0.00 42.92 43.41 2yrl s ASP 79 CO 0.01 -2.03 2.07 -0.33 -0.17 0.00 0.00 175.17 174.72 2yrl h GLU 80 N -0.92 0.00 -0.71 4.34 5.08 -1.94 0.26 114.58 120.70 2yrl h GLU 80 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2yrl h GLU 80 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2yrl h GLU 80 CO 0.48 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 179.03 2yrl n ARG 81 N -4.19 2.29 -2.02 2.33 1.74 -1.26 -4.85 116.66 110.70 2yrl n ARG 81 Ca 0.04 -1.16 -0.19 0.00 -0.77 0.00 0.00 57.85 55.77 2yrl n ARG 81 Cb 0.38 -1.66 -0.04 0.00 -1.02 0.00 0.00 32.46 30.13 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 0.26 -5.42 -4.62 0.55 4.13 0.92 -4.91 115.26 106.17 2yrl n ASN 82 Ca 0.10 0.19 -0.43 0.00 1.68 0.00 0.00 54.58 56.12 2yrl n ASN 82 Cb 0.52 -4.52 -0.02 0.00 -1.54 0.00 0.00 39.78 34.22 2yrl n ASN 82 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2yrl s LEU 83 N -5.01 3.82 -0.15 3.41 1.43 -1.24 -4.77 118.68 116.17 2yrl s LEU 83 Ca 0.00 1.42 -0.24 0.00 -1.03 0.00 0.00 54.13 54.28 2yrl s LEU 83 Cb 0.00 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 2yrl s LEU 83 CO 0.00 -1.29 0.74 -1.58 0.23 0.00 0.00 176.35 174.45 2yrl s GLN 84 N 4.71 4.31 -0.05 1.70 2.00 -1.26 -2.45 119.66 128.61 2yrl s GLN 84 Ca 0.68 0.88 -0.31 0.00 -2.00 0.00 0.00 55.36 54.61 2yrl s GLN 84 Cb -0.22 -3.54 0.07 0.00 0.80 0.00 0.00 33.01 30.12 2yrl s GLN 84 CO 0.29 -0.20 0.69 0.45 -0.50 0.00 0.00 175.29 176.02 2yrl s SER 85 N 1.07 -0.66 0.23 6.67 0.15 -1.15 -5.07 113.70 114.94 2yrl s SER 85 Ca 0.36 0.72 -0.22 0.00 0.70 0.00 0.00 55.95 57.51 2yrl s SER 85 Cb -0.17 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.73 2yrl s SER 85 CO 0.14 -0.60 0.66 0.00 1.20 0.00 0.00 173.24 174.64 2yrl s GLN 86 N -1.17 1.56 -0.06 5.44 -2.07 -1.26 -2.00 119.66 120.10 2yrl s GLN 86 Ca -0.11 -0.77 -0.08 0.00 -1.82 0.00 0.00 55.36 52.59 2yrl s GLN 86 Cb -0.00 0.60 0.02 0.00 -1.09 0.00 0.00 33.01 32.53 2yrl s GLN 86 CO 0.10 -0.70 0.20 0.45 -1.32 0.00 0.00 175.29 174.02 2yrl s SER 87 N -2.85 -0.16 0.02 12.60 0.15 -1.16 -4.83 113.70 117.47 2yrl s SER 87 Ca 0.07 0.25 -0.01 0.00 0.70 0.00 0.00 55.95 56.96 2yrl s SER 87 Cb -0.04 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 2yrl s SER 87 CO -0.02 -0.17 0.18 -0.94 1.20 0.00 0.00 173.24 173.49 2yrl s SER 88 N -0.35 6.28 -0.06 5.45 1.04 -1.26 -2.06 113.70 122.74 2yrl s SER 88 Ca -0.05 0.29 0.03 0.00 0.48 0.00 0.00 55.95 56.71 2yrl s SER 88 Cb -0.03 -1.94 0.01 0.00 0.10 0.00 0.00 66.02 64.16 2yrl s SER 88 CO 0.01 0.23 -0.15 0.54 0.98 0.00 0.00 173.24 174.85 2yrl s VAL 89 N -1.38 1.29 -0.35 5.02 0.11 -0.86 -4.92 120.40 119.31 2yrl s VAL 89 Ca 0.30 -0.60 -0.29 0.00 -2.93 0.00 0.00 61.98 58.46 2yrl s VAL 89 Cb -0.13 -1.14 0.02 0.00 -1.53 0.00 0.00 36.38 33.60 2yrl s VAL 89 CO 0.22 0.38 1.08 0.20 -3.33 0.00 0.00 175.10 173.64 2yrl s ASN 90 N 0.38 6.85 -0.39 3.54 0.01 -1.26 -3.24 114.94 120.83 2yrl s ASN 90 Ca -0.10 0.90 -0.04 0.00 -0.71 0.00 0.00 52.86 52.91 2yrl s ASN 90 Cb -0.14 -2.54 0.10 0.00 0.41 0.00 0.00 41.25 39.08 2yrl s ASN 90 CO 0.03 -0.95 0.18 -0.69 -1.51 0.00 0.00 177.10 174.16 2yrl s VAL 91 N 3.79 3.36 -0.15 1.60 1.01 -0.26 -0.81 120.40 128.94 2yrl s VAL 91 Ca 0.45 -1.85 -0.09 0.00 0.00 0.00 0.00 61.98 60.49 2yrl s VAL 91 Cb -0.11 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 2yrl s VAL 91 CO 0.19 -0.57 0.16 -0.63 0.00 0.00 0.00 175.10 174.25 2yrl s ILE 92 N 1.20 5.42 -0.08 2.22 1.01 0.74 -1.54 121.20 130.17 2yrl s ILE 92 Ca 0.05 0.27 0.03 0.00 0.00 0.00 0.00 60.65 61.00 2yrl s ILE 92 Cb -0.22 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 2yrl s ILE 92 CO -0.03 0.52 -0.17 -0.69 0.00 0.00 0.00 174.94 174.57 2yrl s VAL 93 N -0.27 2.75 0.50 2.92 1.01 -1.06 -1.72 120.40 124.53 2yrl s VAL 93 Ca 0.13 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.35 2yrl s VAL 93 Cb -0.12 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 2yrl s VAL 93 CO 0.02 0.56 0.22 -0.54 0.00 0.00 0.00 175.10 175.36 2yrl s LYS 94 N -0.13 2.23 0.23 2.72 3.01 0.73 -3.56 119.74 124.97 2yrl s LYS 94 Ca -0.02 -2.09 0.08 0.00 -1.01 0.00 0.00 55.97 52.93 2yrl s LYS 94 Cb -0.14 -1.90 -0.04 0.00 -1.01 0.00 0.00 37.83 34.75 2yrl s LYS 94 CO 0.04 -0.40 0.10 -1.83 0.51 0.00 0.00 175.35 173.76 2yrl s GLU 95 N -4.06 2.65 0.12 1.68 -1.05 -1.26 -1.36 118.70 115.42 2yrl s GLU 95 Ca 0.27 -1.14 -0.31 0.00 -0.15 0.00 0.00 54.97 53.64 2yrl s GLU 95 Cb 0.01 -2.42 -0.10 0.00 -0.44 0.00 0.00 34.13 31.17 2yrl s GLU 95 CO 0.16 0.41 1.83 -2.00 0.95 0.00 0.00 175.26 176.61 2yrl s GLU 96 N -3.53 4.14 -0.09 -4.83 2.12 -1.25 -4.58 118.70 110.68 2yrl s GLU 96 Ca 0.31 2.59 -0.01 0.00 0.36 0.00 0.00 54.97 58.22 2yrl s GLU 96 Cb -0.08 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.69 2yrl s GLU 96 CO 0.22 -0.84 -0.03 0.45 -0.54 0.00 0.00 175.26 174.52 2yrl s SER 97 N 2.71 4.94 0.27 -1.70 0.15 -1.26 -5.00 113.70 113.81 2yrl s SER 97 Ca 0.81 0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.50 2yrl s SER 97 Cb -0.46 -1.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 2yrl s SER 97 CO 0.36 0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.76 2yrl n GLY 98 N 2.33 -3.49 3.57 9.45 0.00 -1.26 -4.36 105.19 111.43 2yrl n GLY 98 Ca -0.18 -1.05 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.73 2.53 -1.73 1.61 0.04 -1.26 -3.55 135.00 127.92 2yrl s PRO 99 Ca 0.00 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.52 2yrl s PRO 99 Cb 0.00 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.43 2yrl s PRO 99 CO 0.00 -3.54 0.00 0.45 0.04 0.00 0.00 177.00 173.95 2yrl n SER 100 N 14.10 -5.54 -3.69 6.66 2.88 -1.26 -2.34 113.62 124.44 2yrl n SER 100 Ca 0.41 0.09 -0.25 0.00 -1.33 0.00 0.00 58.87 57.79 2yrl n SER 100 Cb 0.47 -4.66 0.03 0.00 -0.75 0.00 0.00 64.21 59.30 2yrl n SER 100 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yrl n SER 101 N -1.87 -3.14 0.00 -3.46 3.41 -1.23 -5.20 113.62 102.13 2yrl n SER 101 Ca -0.23 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 2yrl n SER 101 Cb 0.67 -3.76 0.00 0.00 -0.26 0.00 0.00 64.21 60.86 2yrl n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49