#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 1.78 -0.04 1.61 1.04 -1.26 -5.15 113.70 111.69 2yrl s SER 2 Ca 0.00 -0.42 0.03 0.00 0.48 0.00 0.00 55.95 56.04 2yrl s SER 2 Cb 0.00 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2yrl s SER 2 CO 0.00 0.08 -0.12 -0.44 0.98 0.00 0.00 173.24 173.75 2yrl s SER 3 N -0.95 1.58 -0.01 7.02 0.01 -1.26 -5.10 113.70 114.99 2yrl s SER 3 Ca 0.03 -0.25 -0.37 0.00 1.31 0.00 0.00 55.95 56.67 2yrl s SER 3 Cb -0.07 -0.48 -0.16 0.00 0.21 0.00 0.00 66.02 65.52 2yrl s SER 3 CO 0.01 0.09 1.48 0.61 0.41 0.00 0.00 173.24 175.84 2yrl n GLY 4 N 3.33 0.65 4.02 3.44 0.00 -1.26 -4.96 105.19 110.40 2yrl n GLY 4 Ca -0.19 0.77 -0.20 0.00 0.00 0.00 0.00 46.02 46.39 2yrl n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yrl s SER 5 N 1.45 5.04 -0.59 1.61 1.04 -1.26 -5.07 113.70 115.91 2yrl s SER 5 Ca 0.88 -0.59 -0.03 0.00 0.48 0.00 0.00 55.95 56.69 2yrl s SER 5 Cb -0.96 -0.04 0.15 0.00 0.10 0.00 0.00 66.02 65.28 2yrl s SER 5 CO 0.51 -1.35 0.41 -0.55 0.98 0.00 0.00 173.24 173.25 2yrl s SER 6 N -4.61 5.32 1.01 7.02 0.15 -1.26 -5.09 113.70 116.24 2yrl s SER 6 Ca 0.61 -2.69 -0.13 0.00 0.70 0.00 0.00 55.95 54.45 2yrl s SER 6 Cb -0.07 -1.87 0.12 0.00 -1.71 0.00 0.00 66.02 62.49 2yrl s SER 6 CO 0.39 -0.42 0.62 0.61 1.20 0.00 0.00 173.24 175.65 2yrl n GLY 7 N 3.73 -1.68 3.22 9.45 0.00 -1.26 -4.78 105.19 113.86 2yrl n GLY 7 Ca 0.06 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 2yrl n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2yrl n GLN 8 N -2.96 1.98 -3.65 1.61 6.02 -1.26 -4.79 117.38 114.33 2yrl n GLN 8 Ca 0.06 -2.32 -0.07 0.00 -0.01 0.00 0.00 57.00 54.66 2yrl n GLN 8 Cb 0.55 -3.26 -0.08 0.00 1.02 0.00 0.00 30.24 28.47 2yrl n GLN 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2yrl s ALA 9 N 6.12 -1.70 -0.29 -1.58 0.00 -1.26 -4.62 121.76 118.42 2yrl s ALA 9 Ca 0.58 2.20 0.03 0.00 0.00 0.00 0.00 51.96 54.77 2yrl s ALA 9 Cb 0.09 -1.36 0.08 0.00 0.00 0.00 0.00 23.12 21.93 2yrl s ALA 9 CO 0.08 -0.43 -0.04 -0.51 0.00 0.00 0.00 175.76 174.86 2yrl s ASP 10 N 1.76 4.59 -0.06 0.00 1.11 -1.26 -4.46 116.67 118.36 2yrl s ASP 10 Ca -0.09 -1.70 -0.15 0.00 0.18 0.00 0.00 52.55 50.79 2yrl s ASP 10 Cb -0.07 -1.59 -0.30 0.00 1.07 0.00 0.00 42.92 42.03 2yrl s ASP 10 CO -0.18 -0.27 0.70 0.00 1.18 0.00 0.00 175.17 176.59 2yrl h ALA 11 N 7.72 0.09 0.00 5.23 0.00 -1.91 -3.42 119.26 126.97 2yrl h ALA 11 Ca -0.13 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.75 2yrl h ALA 11 Cb 1.03 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2yrl h ALA 11 CO 0.49 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.97 2yrl n GLY 12 N 1.78 3.26 3.77 0.00 0.00 -1.26 -4.38 105.19 108.35 2yrl n GLY 12 Ca -0.22 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.13 2.88 0.47 1.61 0.04 -1.26 -4.87 135.00 131.75 2yrl s PRO 13 Ca 0.00 1.42 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 2yrl s PRO 13 Cb 0.00 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 2yrl s PRO 13 CO 0.00 -1.19 -0.09 -0.40 0.04 0.00 0.00 177.00 175.36 2yrl n ASP 14 N -2.25 -3.46 -4.38 6.66 5.75 -1.26 -4.91 116.55 112.70 2yrl n ASP 14 Ca 0.11 0.66 -0.33 0.00 -0.01 0.00 0.00 54.79 55.22 2yrl n ASP 14 Cb 0.52 -0.83 -0.14 0.00 -1.03 0.00 0.00 41.12 39.64 2yrl n ASP 14 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2yrl s LYS 15 N -0.97 3.35 -0.31 0.11 -0.14 -0.54 -5.02 119.74 116.23 2yrl s LYS 15 Ca 0.56 -0.68 0.01 0.00 -1.36 0.00 0.00 55.97 54.49 2yrl s LYS 15 Cb -0.50 -2.63 0.10 0.00 -1.68 0.00 0.00 37.83 33.12 2yrl s LYS 15 CO 0.64 0.23 0.07 -2.00 -0.76 0.00 0.00 175.35 173.53 2yrl s GLU 16 N 0.30 1.00 0.16 1.68 2.12 -1.26 -0.20 118.70 122.50 2yrl s GLU 16 Ca -0.10 -1.27 0.01 0.00 0.36 0.00 0.00 54.97 53.97 2yrl s GLU 16 Cb -0.16 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.81 2yrl s GLU 16 CO 0.05 -0.93 0.32 -0.51 -0.54 0.00 0.00 175.26 173.66 2yrl s LEU 17 N 1.40 4.30 -0.23 2.70 1.43 -0.06 -5.00 118.68 123.23 2yrl s LEU 17 Ca 0.08 0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.43 2yrl s LEU 17 Cb -0.18 -3.02 0.07 0.00 0.03 0.00 0.00 46.19 43.10 2yrl s LEU 17 CO -0.18 0.02 0.06 -0.89 0.23 0.00 0.00 176.35 175.59 2yrl s THR 18 N -1.78 0.56 0.72 5.49 2.01 -1.26 -0.33 115.64 121.06 2yrl s THR 18 Ca 0.36 -0.78 -0.15 0.00 0.31 0.00 0.00 61.69 61.43 2yrl s THR 18 Cb -0.11 -1.18 -0.13 0.00 0.01 0.00 0.00 72.50 71.09 2yrl s THR 18 CO 0.29 -0.37 -0.49 0.18 -0.69 0.00 0.00 174.62 173.54 2yrl n LEU 19 N 5.02 -4.57 0.00 4.42 4.77 0.43 -2.33 117.00 124.74 2yrl n LEU 19 Ca -0.07 0.32 0.08 0.00 -0.03 0.00 0.00 56.01 56.31 2yrl n LEU 19 Cb 0.45 -0.70 0.44 0.00 -2.33 0.00 0.00 43.42 41.28 2yrl n LEU 19 CO 0.12 -4.95 0.68 -0.81 -1.33 0.00 0.00 177.39 171.10 2yrl n PRO 20 N 1.88 0.41 -1.53 3.23 -0.04 -1.26 -3.22 135.00 134.47 2yrl n PRO 20 Ca 0.02 0.04 -0.14 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 32.33 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 -1.08 0.00 -1.49 0.52 0.31 -0.98 -4.69 118.33 110.91 2yrl n VAL 21 Ca 0.10 -0.36 -0.22 0.00 -0.01 0.00 0.00 64.34 63.85 2yrl n VAL 21 Cb 0.07 -1.69 0.12 0.00 -0.91 0.00 0.00 33.84 31.43 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 17.05 4.88 -3.73 4.52 5.68 -1.26 -3.98 116.55 139.71 2yrl n ASP 22 Ca 0.45 -3.75 -0.12 0.00 -0.50 0.00 0.00 54.79 50.87 2yrl n ASP 22 Cb 0.41 -0.72 -0.12 0.00 -1.14 0.00 0.00 41.12 39.55 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 -2.31 -0.34 0.28 -1.12 1.04 -1.26 -2.31 113.70 107.68 2yrl s SER 23 Ca 0.55 0.64 0.03 0.00 0.48 0.00 0.00 55.95 57.65 2yrl s SER 23 Cb 0.45 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 67.10 2yrl s SER 23 CO 0.02 -0.15 0.18 0.28 0.98 0.00 0.00 173.24 174.56 2yrl s THR 24 N 0.92 0.12 -0.08 2.02 -1.32 -0.92 -5.01 115.64 111.37 2yrl s THR 24 Ca -0.06 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.43 2yrl s THR 24 Cb -0.07 -2.50 0.02 0.00 -1.51 0.00 0.00 72.50 68.43 2yrl s THR 24 CO -0.06 0.00 -0.09 0.42 -2.21 0.00 0.00 174.62 172.67 2yrl s THR 25 N -3.74 1.01 -0.73 5.08 -4.23 -1.26 -1.81 115.64 109.96 2yrl s THR 25 Ca 0.38 -0.35 -0.15 0.00 -1.18 0.00 0.00 61.69 60.40 2yrl s THR 25 Cb 0.05 -0.98 0.19 0.00 1.34 0.00 0.00 72.50 73.10 2yrl s THR 25 CO 0.19 0.35 0.68 -0.76 -0.54 0.00 0.00 174.62 174.53 2yrl s LEU 26 N 1.16 6.56 -0.32 4.79 1.43 0.32 -4.92 118.68 127.70 2yrl s LEU 26 Ca -0.06 -2.39 -0.13 0.00 -1.03 0.00 0.00 54.13 50.52 2yrl s LEU 26 Cb -0.14 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 2yrl s LEU 26 CO -0.02 -0.67 0.28 1.51 0.23 0.00 0.00 176.35 177.68 2yrl s ASP 27 N 2.64 6.10 -0.43 2.29 -4.77 -1.26 -1.63 116.67 119.61 2yrl s ASP 27 Ca 0.13 -0.24 0.05 0.00 -3.30 0.00 0.00 52.55 49.19 2yrl s ASP 27 Cb -0.17 -2.16 0.68 0.00 -1.09 0.00 0.00 42.92 40.18 2yrl s ASP 27 CO -0.05 -0.23 1.90 0.61 0.70 0.00 0.00 175.17 178.10 2yrl n GLY 28 N 5.02 4.35 0.30 2.12 0.00 -0.61 -4.61 105.19 111.75 2yrl n GLY 28 Ca -0.12 -1.07 0.08 0.00 0.00 0.00 0.00 46.02 44.92 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 1.26 0.38 0.00 1.61 0.87 -1.87 -2.20 113.55 113.60 2yrl h SER 29 Ca 0.58 0.11 -0.28 0.00 -1.23 0.00 0.00 61.79 60.98 2yrl h SER 29 Cb 2.79 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 64.78 2yrl h SER 29 CO 1.05 0.12 0.69 0.29 -0.53 0.00 0.00 176.83 178.44 2yrl n LYS 30 N -4.96 2.15 -2.60 2.24 4.01 -1.26 -4.89 118.16 112.85 2yrl n LYS 30 Ca 0.17 -1.17 -0.24 0.00 -0.51 0.00 0.00 58.31 56.57 2yrl n LYS 30 Cb 0.49 -2.14 0.03 0.00 -0.51 0.00 0.00 35.03 32.90 2yrl n LYS 30 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2yrl s SER 31 N 2.21 5.44 0.00 4.39 1.04 -0.83 -4.72 113.70 121.23 2yrl s SER 31 Ca 0.60 0.34 -0.33 0.00 0.48 0.00 0.00 55.95 57.04 2yrl s SER 31 Cb 0.25 -1.32 -0.16 0.00 0.10 0.00 0.00 66.02 64.89 2yrl s SER 31 CO -0.01 -1.07 0.87 -1.20 0.98 0.00 0.00 173.24 172.80 2yrl n SER 32 N -2.43 -0.03 -0.09 7.02 7.64 -1.26 -4.88 113.62 119.60 2yrl n SER 32 Ca 0.05 0.96 -0.22 0.00 1.01 0.00 0.00 58.87 60.66 2yrl n SER 32 Cb 0.59 -0.76 -0.12 0.00 -1.01 0.00 0.00 64.21 62.91 2yrl n SER 32 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2yrl n ASP 33 N 1.24 2.00 -0.38 6.43 -0.08 -1.26 -4.49 116.55 120.01 2yrl n ASP 33 Ca 0.16 0.18 -0.08 0.00 -1.51 0.00 0.00 54.79 53.55 2yrl n ASP 33 Cb 0.07 -0.75 -0.05 0.00 2.34 0.00 0.00 41.12 42.73 2yrl n ASP 33 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2yrl n ASP 34 N -3.78 -0.88 -4.90 1.67 8.00 -1.26 -4.34 116.55 111.06 2yrl n ASP 34 Ca -0.41 1.66 -0.34 0.00 0.71 0.00 0.00 54.79 56.41 2yrl n ASP 34 Cb 0.92 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.71 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 -5.59 3.45 0.29 -1.24 1.11 -1.26 -5.08 119.66 111.33 2yrl s GLN 35 Ca -0.12 -0.28 -0.29 0.00 0.01 0.00 0.00 55.36 54.69 2yrl s GLN 35 Cb 0.13 -3.11 -0.09 0.00 -1.01 0.00 0.00 33.01 28.93 2yrl s GLN 35 CO 0.61 0.69 1.03 0.21 0.01 0.00 0.00 175.29 177.84 2yrl s LYS 36 N -1.81 4.63 -0.21 2.91 2.20 -1.26 -4.84 119.74 121.37 2yrl s LYS 36 Ca 0.26 1.63 -0.04 0.00 -0.36 0.00 0.00 55.97 57.46 2yrl s LYS 36 Cb -0.13 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 33.09 2yrl s LYS 36 CO 0.17 0.26 -0.05 0.42 -0.36 0.00 0.00 175.35 175.79 2yrl s ILE 37 N -1.28 3.40 -0.13 5.43 -1.09 -1.26 -3.40 121.20 122.87 2yrl s ILE 37 Ca 0.46 -0.49 0.17 0.00 -2.23 0.00 0.00 60.65 58.55 2yrl s ILE 37 Cb -0.28 -2.53 0.30 0.00 -1.58 0.00 0.00 42.46 38.37 2yrl s ILE 37 CO 0.35 0.44 1.15 2.30 -1.23 0.00 0.00 174.94 177.95 2yrl n ILE 38 N 4.56 1.82 -3.73 2.92 -5.35 -1.19 -5.02 119.36 113.37 2yrl n ILE 38 Ca -0.18 -2.30 -0.14 0.00 -0.27 0.00 0.00 62.75 59.86 2yrl n ILE 38 Cb 0.51 -0.19 -0.09 0.00 -1.74 0.00 0.00 39.64 38.13 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 -2.83 -0.33 -0.16 7.28 0.15 -1.26 -5.01 113.70 111.54 2yrl s SER 39 Ca 0.31 0.44 -0.08 0.00 0.70 0.00 0.00 55.95 57.33 2yrl s SER 39 Cb 0.28 0.54 0.06 0.00 -1.71 0.00 0.00 66.02 65.20 2yrl s SER 39 CO 0.01 -0.33 0.37 -0.31 1.20 0.00 0.00 173.24 174.17 2yrl s TYR 40 N -0.68 -0.58 -0.01 3.44 2.02 -1.26 -4.10 117.35 116.18 2yrl s TYR 40 Ca -0.08 1.22 0.01 0.00 -0.37 0.00 0.00 57.07 57.85 2yrl s TYR 40 Cb -0.04 0.20 0.01 0.00 -0.40 0.00 0.00 41.96 41.73 2yrl s TYR 40 CO 0.03 -0.36 -0.02 -1.17 -1.57 0.00 0.00 175.55 172.47 2yrl s LEU 41 N 1.76 1.80 -0.13 -1.29 2.96 -1.10 -3.92 118.68 118.76 2yrl s LEU 41 Ca -0.07 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 2yrl s LEU 41 Cb -0.10 -0.15 0.02 0.00 0.50 0.00 0.00 46.19 46.46 2yrl s LEU 41 CO -0.12 -0.00 -0.13 0.26 -1.32 0.00 0.00 176.35 175.04 2yrl s TRP 42 N 0.20 1.96 -0.03 5.38 0.52 -0.69 -2.32 118.94 123.96 2yrl s TRP 42 Ca -0.02 -1.04 -0.08 0.00 0.02 0.00 0.00 56.10 54.98 2yrl s TRP 42 Cb -0.04 -1.47 0.01 0.00 -1.15 0.00 0.00 33.47 30.82 2yrl s TRP 42 CO -0.01 -0.59 0.18 -1.21 0.02 0.00 0.00 176.95 175.34 2yrl s GLU 43 N 1.42 0.40 -0.43 4.98 2.02 -1.16 -4.81 118.70 121.12 2yrl s GLU 43 Ca 0.02 -0.09 -0.25 0.00 0.02 0.00 0.00 54.97 54.66 2yrl s GLU 43 Cb -0.13 0.17 0.02 0.00 0.10 0.00 0.00 34.13 34.29 2yrl s GLU 43 CO -0.08 -0.09 0.92 0.21 0.02 0.00 0.00 175.26 176.24 2yrl s LYS 44 N -0.75 3.64 -0.07 1.61 2.20 -1.26 -1.23 119.74 123.87 2yrl s LYS 44 Ca -0.08 0.30 -0.27 0.00 -0.36 0.00 0.00 55.97 55.56 2yrl s LYS 44 Cb -0.05 -3.88 -0.23 0.00 -1.51 0.00 0.00 37.83 32.16 2yrl s LYS 44 CO 0.01 -1.12 1.01 1.79 -0.36 0.00 0.00 175.35 176.69 2yrl h THR 45 N 5.99 1.59 -4.78 3.43 1.35 -0.28 -3.48 112.91 116.73 2yrl h THR 45 Ca -0.24 -1.83 -0.52 0.00 -0.55 0.00 0.00 66.41 63.27 2yrl h THR 45 Cb 1.08 2.80 -0.11 0.00 -1.73 0.00 0.00 68.15 70.18 2yrl h THR 45 CO 1.01 0.48 -0.41 0.00 -0.25 0.00 0.00 175.52 176.35 2yrl n GLN 46 N -4.66 0.73 0.00 4.72 6.02 -1.07 -5.00 117.38 118.12 2yrl n GLN 46 Ca -0.09 -3.12 0.00 0.00 -0.01 0.00 0.00 57.00 53.77 2yrl n GLN 46 Cb 0.41 1.37 0.00 0.00 1.02 0.00 0.00 30.24 33.04 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 -0.39 1.00 3.73 1.08 0.00 -1.25 -2.87 105.19 106.48 2yrl n GLY 47 Ca -0.10 -1.95 -0.42 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 -2.01 4.38 0.93 1.61 0.04 -1.26 -5.00 135.00 133.68 2yrl s PRO 48 Ca 0.00 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 2yrl s PRO 48 Cb 0.00 -3.21 0.15 0.00 0.04 0.00 0.00 34.50 31.48 2yrl s PRO 48 CO 0.00 -0.29 1.11 0.34 0.04 0.00 0.00 177.00 178.20 2yrl s ASP 49 N 0.54 3.26 0.00 6.66 2.15 -1.26 -4.46 116.67 123.55 2yrl s ASP 49 Ca 0.58 1.12 0.00 0.00 0.43 0.00 0.00 52.55 54.69 2yrl s ASP 49 Cb -0.36 -1.76 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 2yrl s ASP 49 CO 0.36 -2.72 0.00 0.61 -0.17 0.00 0.00 175.17 173.25 2yrl n GLY 50 N -1.69 3.47 3.12 2.66 0.00 -1.26 -5.10 105.19 106.39 2yrl n GLY 50 Ca 0.06 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 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 -4.31 1.61 0.24 -1.26 -4.99 118.33 109.62 2yrl n VAL 51 Ca 0.00 -0.22 -0.26 0.00 -2.04 0.00 0.00 64.34 61.82 2yrl n VAL 51 Cb 0.00 -0.22 -0.17 0.00 -1.47 0.00 0.00 33.84 31.98 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 -2.55 1.78 -0.20 7.34 -0.21 -0.67 -4.97 119.66 120.19 2yrl s GLN 52 Ca 0.44 -0.40 -0.07 0.00 0.02 0.00 0.00 55.36 55.35 2yrl s GLN 52 Cb -0.06 -1.60 -0.04 0.00 1.00 0.00 0.00 33.01 32.32 2yrl s GLN 52 CO 0.70 -0.10 0.06 -0.51 -2.12 0.00 0.00 175.29 173.33 2yrl s LEU 53 N 1.11 3.70 0.13 2.90 1.43 -1.26 -1.34 118.68 125.36 2yrl s LEU 53 Ca -0.06 0.00 0.08 0.00 -1.03 0.00 0.00 54.13 53.13 2yrl s LEU 53 Cb -0.14 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 2yrl s LEU 53 CO -0.02 0.12 -0.14 -1.61 0.23 0.00 0.00 176.35 174.93 2yrl s GLU 54 N 0.70 1.95 -1.39 1.70 0.41 -0.43 -4.61 118.70 117.03 2yrl s GLU 54 Ca 0.03 -1.16 -0.05 0.00 -0.41 0.00 0.00 54.97 53.38 2yrl s GLU 54 Cb -0.13 -2.18 0.03 0.00 -1.78 0.00 0.00 34.13 30.07 2yrl s GLU 54 CO 0.02 0.47 0.42 0.09 -0.49 0.00 0.00 175.26 175.77 2yrl n ASN 55 N 0.56 -4.85 -0.04 -0.19 3.02 -1.26 -2.04 115.26 110.46 2yrl n ASN 55 Ca -0.14 -0.22 0.13 0.00 -0.03 0.00 0.00 54.58 54.32 2yrl n ASN 55 Cb 0.53 -3.98 0.54 0.00 -0.61 0.00 0.00 39.78 36.26 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 2.08 -0.18 5.41 0.00 -1.82 0.76 119.26 126.50 2yrl h ALA 56 Ca -0.45 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2yrl h ALA 56 Cb 1.31 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2yrl h ALA 56 CO 0.52 -0.20 0.07 0.09 0.00 0.00 0.00 179.25 179.73 2yrl n ASN 57 N -4.46 2.59 -4.02 0.00 4.13 -1.26 -1.71 115.26 110.54 2yrl n ASN 57 Ca 0.09 -2.29 -0.19 0.00 1.68 0.00 0.00 54.58 53.87 2yrl n ASN 57 Cb 0.38 -0.56 -0.15 0.00 -1.54 0.00 0.00 39.78 37.91 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 0.11 1.07 0.51 6.41 0.01 0.26 -4.69 113.70 117.37 2yrl s SER 58 Ca 0.13 -0.16 0.42 0.00 1.31 0.00 0.00 55.95 57.65 2yrl s SER 58 Cb 0.10 -0.15 1.45 0.00 0.21 0.00 0.00 66.02 67.64 2yrl s SER 58 CO 0.03 0.10 1.37 -1.54 0.41 0.00 0.00 173.24 173.61 2yrl n SER 59 N 2.93 0.00 -4.33 2.44 3.41 -1.26 -3.89 113.62 112.92 2yrl n SER 59 Ca -0.14 0.86 -0.33 0.00 -0.26 0.00 0.00 58.87 59.00 2yrl n SER 59 Cb 0.56 -0.41 -0.15 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 -4.59 2.90 0.31 -3.33 1.01 -1.26 -1.58 120.40 113.86 2yrl s VAL 60 Ca -0.04 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.33 2yrl s VAL 60 Cb 0.22 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 34.33 2yrl s VAL 60 CO 0.74 0.52 -0.13 0.00 0.00 0.00 0.00 175.10 176.24 2yrl s ALA 61 N 0.52 2.74 -0.11 5.51 0.00 -0.65 -4.64 121.76 125.14 2yrl s ALA 61 Ca -0.09 -1.97 -0.01 0.00 0.00 0.00 0.00 51.96 49.89 2yrl s ALA 61 Cb -0.16 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 22.91 2yrl s ALA 61 CO 0.04 0.12 -0.04 0.99 0.00 0.00 0.00 175.76 176.88 2yrl s THR 62 N -2.66 0.75 -0.30 0.00 2.01 -0.87 -0.52 115.64 114.05 2yrl s THR 62 Ca 0.31 -0.19 -0.09 0.00 0.31 0.00 0.00 61.69 62.02 2yrl s THR 62 Cb 0.00 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 2yrl s THR 62 CO 0.15 0.26 0.14 -0.69 -0.69 0.00 0.00 174.62 173.79 2yrl s VAL 63 N 1.81 4.59 0.38 3.82 1.01 -0.75 -1.31 120.40 129.95 2yrl s VAL 63 Ca 0.04 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.73 2yrl s VAL 63 Cb -0.13 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 2yrl s VAL 63 CO -0.07 0.11 0.16 0.42 0.00 0.00 0.00 175.10 175.72 2yrl s THR 64 N 1.62 2.64 -0.77 3.92 -4.23 -0.45 -2.17 115.64 116.19 2yrl s THR 64 Ca 0.05 -1.70 -0.01 0.00 -1.18 0.00 0.00 61.69 58.84 2yrl s THR 64 Cb -0.17 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.71 2yrl s THR 64 CO 0.06 -0.09 0.65 0.61 -0.54 0.00 0.00 174.62 175.31 2yrl n GLY 65 N -1.20 -0.04 3.89 3.99 0.00 -1.06 -1.67 105.19 109.10 2yrl n GLY 65 Ca -0.02 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.78 4.38 0.17 0.99 1.43 -0.98 -4.12 118.68 115.78 2yrl s LEU 66 Ca 0.09 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 2yrl s LEU 66 Cb -0.04 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 2yrl s LEU 66 CO 0.46 0.33 -0.02 0.00 0.23 0.00 0.00 176.35 177.34 2yrl s GLN 67 N -1.48 1.11 -0.47 1.70 -2.07 -1.26 -4.66 119.66 112.53 2yrl s GLN 67 Ca 0.22 -1.53 -0.42 0.00 -1.82 0.00 0.00 55.36 51.81 2yrl s GLN 67 Cb -0.13 -0.37 -0.18 0.00 -1.09 0.00 0.00 33.01 31.24 2yrl s GLN 67 CO 0.12 -0.08 1.93 0.28 -1.32 0.00 0.00 175.29 176.22 2yrl n VAL 68 N -0.25 0.00 -3.34 3.63 0.31 -1.26 -4.67 118.33 112.75 2yrl n VAL 68 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2yrl n VAL 68 Cb 0.63 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 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 6.49 -0.51 2.98 2.92 0.00 -1.23 -4.98 105.19 110.85 2yrl n GLY 69 Ca 0.48 -0.95 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 2yrl n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yrl s THR 70 N -3.11 1.01 -0.19 2.61 -4.23 -1.26 -2.65 115.64 107.83 2yrl s THR 70 Ca 0.00 -0.38 0.01 0.00 -1.18 0.00 0.00 61.69 60.14 2yrl s THR 70 Cb 0.00 -0.95 0.03 0.00 1.34 0.00 0.00 72.50 72.91 2yrl s THR 70 CO 0.00 0.33 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.92 2yrl s TYR 71 N 0.87 2.77 -0.45 3.99 1.51 -0.62 -3.92 117.35 121.50 2yrl s TYR 71 Ca -0.11 -1.69 -0.16 0.00 -1.01 0.00 0.00 57.07 54.10 2yrl s TYR 71 Cb -0.15 -1.88 0.05 0.00 -0.11 0.00 0.00 41.96 39.87 2yrl s TYR 71 CO 0.01 -0.80 0.39 0.08 -1.11 0.00 0.00 175.55 174.12 2yrl s VAL 72 N 1.29 5.19 -0.22 0.71 1.01 -1.14 -1.95 120.40 125.30 2yrl s VAL 72 Ca 0.03 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 2yrl s VAL 72 Cb -0.14 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2yrl s VAL 72 CO -0.12 -0.50 0.03 -0.36 0.00 0.00 0.00 175.10 174.15 2yrl s PHE 73 N 1.80 3.08 -0.20 5.22 0.08 -1.18 0.53 117.98 127.31 2yrl s PHE 73 Ca 0.06 -0.38 -0.08 0.00 0.12 0.00 0.00 56.93 56.66 2yrl s PHE 73 Cb -0.21 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 2yrl s PHE 73 CO 0.09 -0.23 0.08 0.99 -0.10 0.00 0.00 175.22 176.05 2yrl s THR 74 N 1.14 4.86 -0.47 0.64 2.01 -0.37 -1.90 115.64 121.55 2yrl s THR 74 Ca 0.03 -0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.90 2yrl s THR 74 Cb -0.14 -3.21 0.10 0.00 0.01 0.00 0.00 72.50 69.25 2yrl s THR 74 CO 0.02 0.43 0.37 -0.22 -0.69 0.00 0.00 174.62 174.54 2yrl s LEU 75 N 0.56 5.63 -0.35 4.42 2.96 -0.23 -3.01 118.68 128.66 2yrl s LEU 75 Ca 0.04 -1.59 -0.25 0.00 -0.22 0.00 0.00 54.13 52.11 2yrl s LEU 75 Cb -0.13 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.47 2yrl s LEU 75 CO 0.01 -0.67 0.87 -0.89 -1.32 0.00 0.00 176.35 174.35 2yrl s THR 76 N 1.52 4.66 -0.03 3.68 2.01 -0.98 -2.80 115.64 123.70 2yrl s THR 76 Ca 0.04 1.13 0.06 0.00 0.31 0.00 0.00 61.69 63.23 2yrl s THR 76 Cb -0.26 -4.27 -0.01 0.00 0.01 0.00 0.00 72.50 67.97 2yrl s THR 76 CO 0.03 -0.46 -0.22 0.68 -0.69 0.00 0.00 174.62 173.97 2yrl s VAL 77 N 3.29 1.74 0.24 3.82 -7.23 0.08 -2.70 120.40 119.64 2yrl s VAL 77 Ca 0.36 -0.93 0.11 0.00 -1.81 0.00 0.00 61.98 59.70 2yrl s VAL 77 Cb -0.13 -1.45 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 2yrl s VAL 77 CO 0.17 0.49 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.78 2yrl s LYS 78 N -0.39 1.91 0.39 4.82 1.02 -1.26 -2.87 119.74 123.36 2yrl s LYS 78 Ca 0.05 -1.54 0.01 0.00 0.02 0.00 0.00 55.97 54.52 2yrl s LYS 78 Cb -0.10 -1.97 0.01 0.00 -0.52 0.00 0.00 37.83 35.26 2yrl s LYS 78 CO 0.00 0.37 0.11 -0.40 -0.92 0.00 0.00 175.35 174.52 2yrl n ASP 79 N -0.45 2.75 -0.17 2.83 5.75 -1.20 -3.18 116.55 122.89 2yrl n ASP 79 Ca -0.08 -2.55 0.16 0.00 -0.01 0.00 0.00 54.79 52.32 2yrl n ASP 79 Cb 0.58 0.15 0.52 0.00 -1.03 0.00 0.00 41.12 41.34 2yrl n ASP 79 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2yrl h GLU 80 N 0.00 0.38 -0.99 0.11 5.08 -1.94 0.18 114.58 117.40 2yrl h GLU 80 Ca -0.29 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 57.86 2yrl h GLU 80 Cb 0.94 -0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.99 2yrl h GLU 80 CO 0.47 0.25 0.24 0.54 -1.00 0.00 0.00 179.01 179.52 2yrl n ARG 81 N -4.47 1.58 -2.08 2.33 5.12 -1.26 -4.83 116.66 113.05 2yrl n ARG 81 Ca 0.15 -1.20 -0.05 0.00 -1.93 0.00 0.00 57.85 54.82 2yrl n ARG 81 Cb 0.56 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.35 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 -0.13 -1.81 -4.70 0.55 2.85 0.63 -4.82 115.26 107.83 2yrl n ASN 82 Ca 0.23 0.31 -0.42 0.00 -0.11 0.00 0.00 54.58 54.58 2yrl n ASN 82 Cb 0.94 -1.74 -0.03 0.00 1.24 0.00 0.00 39.78 40.20 2yrl n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2yrl s LEU 83 N -4.44 4.36 -0.13 1.20 1.43 -1.25 -4.78 118.68 115.07 2yrl s LEU 83 Ca 0.00 2.49 -0.20 0.00 -1.03 0.00 0.00 54.13 55.38 2yrl s LEU 83 Cb 0.00 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2yrl s LEU 83 CO 0.00 -0.83 0.59 -1.58 0.23 0.00 0.00 176.35 174.76 2yrl s GLN 84 N 1.93 4.32 -0.29 1.70 0.74 -1.26 -3.23 119.66 123.57 2yrl s GLN 84 Ca 0.71 0.62 -0.14 0.00 0.05 0.00 0.00 55.36 56.60 2yrl s GLN 84 Cb -0.40 -3.49 0.10 0.00 1.10 0.00 0.00 33.01 30.32 2yrl s GLN 84 CO 0.31 -0.00 0.69 -1.12 -0.55 0.00 0.00 175.29 174.62 2yrl s SER 85 N 0.88 -0.99 0.07 6.67 0.01 -1.14 -4.76 113.70 114.43 2yrl s SER 85 Ca 0.30 1.50 0.01 0.00 1.31 0.00 0.00 55.95 59.07 2yrl s SER 85 Cb -0.16 1.70 -0.04 0.00 0.21 0.00 0.00 66.02 67.74 2yrl s SER 85 CO 0.12 -0.23 -0.06 0.00 0.41 0.00 0.00 173.24 173.49 2yrl s GLN 86 N 2.08 0.68 -0.01 12.44 -2.07 -1.26 -0.74 119.66 130.77 2yrl s GLN 86 Ca -0.08 -1.10 0.01 0.00 -1.82 0.00 0.00 55.36 52.36 2yrl s GLN 86 Cb -0.07 -0.15 0.00 0.00 -1.09 0.00 0.00 33.01 31.70 2yrl s GLN 86 CO -0.19 -0.01 -0.03 0.45 -1.32 0.00 0.00 175.29 174.18 2yrl s SER 87 N -2.50 0.44 0.03 12.60 0.15 -1.12 -4.65 113.70 118.65 2yrl s SER 87 Ca 0.03 -0.06 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 2yrl s SER 87 Cb 0.00 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.18 2yrl s SER 87 CO -0.04 0.02 0.18 -0.94 1.20 0.00 0.00 173.24 173.66 2yrl s SER 88 N 0.12 6.26 -0.03 5.45 1.04 -1.26 -1.06 113.70 124.22 2yrl s SER 88 Ca -0.01 0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.74 2yrl s SER 88 Cb -0.04 -1.92 -0.01 0.00 0.10 0.00 0.00 66.02 64.15 2yrl s SER 88 CO -0.00 0.21 -0.16 0.54 0.98 0.00 0.00 173.24 174.80 2yrl s VAL 89 N -1.41 1.34 -0.44 5.02 0.11 -0.80 -4.92 120.40 119.31 2yrl s VAL 89 Ca 0.31 -0.70 -0.24 0.00 -2.93 0.00 0.00 61.98 58.43 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 0.23 0.39 0.83 0.20 -3.33 0.00 0.00 175.10 173.42 2yrl s ASN 90 N -0.15 6.47 -0.43 3.54 -0.87 -1.26 -3.11 114.94 119.13 2yrl s ASN 90 Ca 0.01 0.06 -0.12 0.00 -1.57 0.00 0.00 52.86 51.24 2yrl s ASN 90 Cb -0.09 -2.41 0.07 0.00 -0.02 0.00 0.00 41.25 38.80 2yrl s ASN 90 CO 0.01 -0.92 0.30 -0.69 -2.57 0.00 0.00 177.10 173.22 2yrl s VAL 91 N 3.40 4.64 -0.17 1.60 1.01 -0.82 -1.46 120.40 128.59 2yrl s VAL 91 Ca 0.32 -1.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 2yrl s VAL 91 Cb -0.12 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2yrl s VAL 91 CO 0.23 -0.48 0.11 -0.63 0.00 0.00 0.00 175.10 174.33 2yrl s ILE 92 N 1.52 5.26 -0.14 2.22 1.01 0.72 -1.59 121.20 130.21 2yrl s ILE 92 Ca 0.03 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.83 2yrl s ILE 92 Cb -0.23 -3.36 -0.00 0.00 0.01 0.00 0.00 42.46 38.88 2yrl s ILE 92 CO 0.04 0.50 -0.18 -0.69 0.00 0.00 0.00 174.94 174.62 2yrl s VAL 93 N -0.06 2.50 0.44 2.92 1.01 -1.08 -0.88 120.40 125.25 2yrl s VAL 93 Ca 0.09 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.29 2yrl s VAL 93 Cb -0.12 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2yrl s VAL 93 CO 0.00 0.53 0.16 -0.54 0.00 0.00 0.00 175.10 175.26 2yrl s LYS 94 N 0.64 2.19 0.32 2.72 1.02 0.56 -3.47 119.74 123.72 2yrl s LYS 94 Ca -0.09 -1.98 -0.03 0.00 0.02 0.00 0.00 55.97 53.88 2yrl s LYS 94 Cb -0.16 -1.89 -0.05 0.00 -0.52 0.00 0.00 37.83 35.22 2yrl s LYS 94 CO 0.02 -0.21 0.57 -1.21 -0.92 0.00 0.00 175.35 173.60 2yrl s GLU 95 N -3.93 3.59 -0.03 1.68 2.02 -1.26 -0.43 118.70 120.34 2yrl s GLU 95 Ca 0.34 -0.07 -0.36 0.00 0.02 0.00 0.00 54.97 54.90 2yrl s GLU 95 Cb 0.04 -2.63 -0.15 0.00 0.10 0.00 0.00 34.13 31.49 2yrl s GLU 95 CO 0.19 0.17 1.63 -1.91 0.02 0.00 0.00 175.26 175.35 2yrl n GLU 96 N -1.25 1.65 -1.60 1.61 2.13 -1.20 -4.55 120.64 117.42 2yrl n GLU 96 Ca -0.02 0.60 -0.49 0.00 0.66 0.00 0.00 57.16 57.91 2yrl n GLU 96 Cb 0.55 -2.33 -0.04 0.00 0.27 0.00 0.00 31.44 29.88 2yrl n GLU 96 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2yrl n SER 97 N 4.44 1.74 -4.89 4.31 7.64 -1.26 -4.96 113.62 120.65 2yrl n SER 97 Ca 0.21 1.13 -0.33 0.00 1.01 0.00 0.00 58.87 60.90 2yrl n SER 97 Cb 0.22 -1.25 -0.05 0.00 -1.01 0.00 0.00 64.21 62.12 2yrl n SER 97 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yrl s GLY 98 N 0.23 2.25 0.01 0.23 0.00 -1.26 -5.02 107.32 103.75 2yrl s GLY 98 Ca 0.76 -0.58 -0.23 0.00 0.00 0.00 0.00 44.72 44.67 2yrl s GLY 98 CO 0.49 -0.46 1.31 -0.56 0.00 0.00 0.00 173.10 173.89 2yrl h PRO 99 N 3.28 0.20 -7.15 2.90 0.13 -2.05 -3.45 132.00 125.86 2yrl h PRO 99 Ca -0.47 -0.10 -0.43 0.00 -0.87 0.00 0.00 66.00 64.13 2yrl h PRO 99 Cb 1.18 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.52 2yrl h PRO 99 CO 0.71 0.62 0.00 -1.54 -0.23 0.00 0.00 178.00 177.56 2yrl s SER 100 N -5.93 0.71 0.01 1.44 1.04 -1.26 -5.01 113.70 104.70 2yrl s SER 100 Ca -0.15 1.35 0.00 0.00 0.48 0.00 0.00 55.95 57.63 2yrl s SER 100 Cb 0.04 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.08 2yrl s SER 100 CO 0.72 -4.34 0.00 -0.24 0.98 0.00 0.00 173.24 170.36 2yrl n SER 101 N -5.00 0.04 0.00 7.02 2.88 -1.26 -5.21 113.62 112.09 2yrl n SER 101 Ca 0.04 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2yrl n SER 101 Cb 0.55 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2yrl n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42