#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 6.68 0.01 1.61 1.04 -1.26 -5.08 113.70 116.70 2yrl s SER 2 Ca 0.00 1.49 -0.28 0.00 0.48 0.00 0.00 55.95 57.64 2yrl s SER 2 Cb 0.00 -2.47 0.09 0.00 0.10 0.00 0.00 66.02 63.74 2yrl s SER 2 CO 0.00 -0.47 0.75 -0.94 0.98 0.00 0.00 173.24 173.56 2yrl s SER 3 N -2.83 -0.52 0.47 7.02 1.04 -1.26 -5.15 113.70 112.48 2yrl s SER 3 Ca 0.58 0.27 -0.21 0.00 0.48 0.00 0.00 55.95 57.07 2yrl s SER 3 Cb -0.10 0.48 -0.12 0.00 0.10 0.00 0.00 66.02 66.39 2yrl s SER 3 CO 0.26 -0.68 0.50 0.61 0.98 0.00 0.00 173.24 174.91 2yrl n GLY 4 N 0.20 -1.60 3.72 7.32 0.00 -1.26 -4.90 105.19 108.68 2yrl n GLY 4 Ca -0.15 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.01 7.45 -0.23 1.61 0.01 -1.26 -4.96 113.70 115.30 2yrl s SER 5 Ca 0.64 1.79 -0.14 0.00 1.31 0.00 0.00 55.95 59.55 2yrl s SER 5 Cb -0.54 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.00 2yrl s SER 5 CO 0.58 -0.12 -0.33 -1.20 0.41 0.00 0.00 173.24 172.57 2yrl n SER 6 N 3.02 1.84 -2.81 2.44 7.64 -1.26 -5.01 113.62 119.48 2yrl n SER 6 Ca 0.03 0.32 -0.22 0.00 1.01 0.00 0.00 58.87 60.01 2yrl n SER 6 Cb 0.49 -0.75 0.02 0.00 -1.01 0.00 0.00 64.21 62.96 2yrl n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yrl n GLY 7 N 1.44 -0.52 3.50 0.23 0.00 -1.25 -4.95 105.19 103.65 2yrl n GLY 7 Ca -0.40 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 2yrl n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yrl s GLN 8 N -5.48 3.20 -0.23 1.61 -0.21 -1.26 -4.74 119.66 112.55 2yrl s GLN 8 Ca 0.20 -0.53 -0.19 0.00 0.02 0.00 0.00 55.36 54.86 2yrl s GLN 8 Cb -0.09 -3.96 0.06 0.00 1.00 0.00 0.00 33.01 30.02 2yrl s GLN 8 CO 0.25 -0.96 0.59 0.00 -2.12 0.00 0.00 175.29 173.06 2yrl s ALA 9 N 2.56 -1.51 -0.34 6.09 0.00 -1.26 -4.30 121.76 123.00 2yrl s ALA 9 Ca 0.18 1.81 0.00 0.00 0.00 0.00 0.00 51.96 53.95 2yrl s ALA 9 Cb -0.15 -1.06 0.08 0.00 0.00 0.00 0.00 23.12 21.99 2yrl s ALA 9 CO 0.17 -0.30 0.06 0.34 0.00 0.00 0.00 175.76 176.03 2yrl s ASP 10 N 0.69 4.90 -0.43 0.00 2.15 -1.26 -4.43 116.67 118.28 2yrl s ASP 10 Ca -0.03 -1.75 0.05 0.00 0.43 0.00 0.00 52.55 51.24 2yrl s ASP 10 Cb -0.05 -1.70 0.65 0.00 -0.30 0.00 0.00 42.92 41.52 2yrl s ASP 10 CO -0.05 -0.36 1.86 0.00 -0.17 0.00 0.00 175.17 176.45 2yrl n ALA 11 N 4.48 5.44 -0.88 3.66 0.00 -1.26 -4.55 120.51 127.40 2yrl n ALA 11 Ca -0.05 -2.93 0.11 0.00 0.00 0.00 0.00 53.44 50.56 2yrl n ALA 11 Cb 0.42 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.15 -3.11 3.60 0.00 0.00 -1.26 -4.70 105.19 98.57 2yrl n GLY 12 Ca 0.57 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.83 -1.18 0.35 1.61 0.04 -1.26 -4.85 135.00 125.88 2yrl s PRO 13 Ca 0.00 -0.05 -0.26 0.00 0.04 0.00 0.00 61.00 60.74 2yrl s PRO 13 Cb 0.00 -1.60 -0.13 0.00 0.04 0.00 0.00 34.50 32.81 2yrl s PRO 13 CO 0.00 -3.69 0.87 -0.40 0.04 0.00 0.00 177.00 173.82 2yrl n ASP 14 N -4.74 0.61 -4.42 6.66 5.75 -1.26 -4.83 116.55 114.32 2yrl n ASP 14 Ca 0.13 1.07 -0.34 0.00 -0.01 0.00 0.00 54.79 55.64 2yrl n ASP 14 Cb 0.59 -1.25 -0.13 0.00 -1.03 0.00 0.00 41.12 39.31 2yrl n ASP 14 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2yrl s LYS 15 N -1.67 3.52 -0.21 0.11 -0.14 -0.43 -5.03 119.74 115.89 2yrl s LYS 15 Ca 0.61 -0.60 -0.02 0.00 -1.36 0.00 0.00 55.97 54.61 2yrl s LYS 15 Cb -0.65 -2.84 0.06 0.00 -1.68 0.00 0.00 37.83 32.72 2yrl s LYS 15 CO 0.58 0.14 0.01 -2.00 -0.76 0.00 0.00 175.35 173.32 2yrl s GLU 16 N 0.59 0.98 0.22 1.68 2.12 -1.26 0.05 118.70 123.07 2yrl s GLU 16 Ca -0.05 -0.62 0.11 0.00 0.36 0.00 0.00 54.97 54.78 2yrl s GLU 16 Cb -0.15 -2.28 -0.05 0.00 0.26 0.00 0.00 34.13 31.92 2yrl s GLU 16 CO 0.03 -0.63 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.41 2yrl s LEU 17 N 1.70 2.57 -0.06 2.70 1.43 -0.66 -5.02 118.68 121.34 2yrl s LEU 17 Ca -0.03 -0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 52.19 2yrl s LEU 17 Cb -0.18 -1.24 0.03 0.00 0.03 0.00 0.00 46.19 44.83 2yrl s LEU 17 CO -0.07 0.09 0.03 -0.89 0.23 0.00 0.00 176.35 175.74 2yrl s THR 18 N -1.91 0.14 0.96 5.49 2.01 -1.26 -1.21 115.64 119.86 2yrl s THR 18 Ca 0.24 0.23 -0.17 0.00 0.31 0.00 0.00 61.69 62.31 2yrl s THR 18 Cb -0.07 -0.37 -0.13 0.00 0.01 0.00 0.00 72.50 71.94 2yrl s THR 18 CO 0.12 0.19 -0.62 0.18 -0.69 0.00 0.00 174.62 173.80 2yrl n LEU 19 N 5.22 -5.19 0.00 4.42 7.99 -0.66 -2.47 117.00 126.31 2yrl n LEU 19 Ca -0.05 0.23 0.07 0.00 -0.01 0.00 0.00 56.01 56.26 2yrl n LEU 19 Cb 0.50 -0.82 0.41 0.00 -0.11 0.00 0.00 43.42 43.40 2yrl n LEU 19 CO 0.08 -5.68 0.68 -0.81 -1.51 0.00 0.00 177.39 170.16 2yrl n PRO 20 N 1.95 0.34 -1.53 3.23 -0.04 -1.26 -4.10 135.00 133.59 2yrl n PRO 20 Ca -0.00 0.08 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 2yrl n PRO 20 Cb 0.55 -1.50 -0.12 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 -1.15 -0.02 -1.89 0.52 0.31 -1.03 -4.73 118.33 110.34 2yrl n VAL 21 Ca 0.09 -0.44 -0.22 0.00 -0.01 0.00 0.00 64.34 63.76 2yrl n VAL 21 Cb 0.09 -1.27 0.05 0.00 -0.91 0.00 0.00 33.84 31.80 2yrl n VAL 21 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2yrl n ASP 22 N 12.44 4.82 -3.67 4.52 9.92 -1.26 -4.37 116.55 138.95 2yrl n ASP 22 Ca 0.55 -3.77 -0.10 0.00 -0.53 0.00 0.00 54.79 50.94 2yrl n ASP 22 Cb 0.28 -0.43 -0.09 0.00 -0.64 0.00 0.00 41.12 40.24 2yrl n ASP 22 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2yrl s SER 23 N -3.35 -0.71 0.24 -2.24 1.04 -1.26 -1.66 113.70 105.76 2yrl s SER 23 Ca 0.51 1.20 -0.10 0.00 0.48 0.00 0.00 55.95 58.04 2yrl s SER 23 Cb 0.42 1.11 -0.01 0.00 0.10 0.00 0.00 66.02 67.64 2yrl s SER 23 CO 0.02 -0.21 0.40 0.28 0.98 0.00 0.00 173.24 174.71 2yrl s THR 24 N 1.22 0.00 -0.09 2.02 -1.32 -0.98 -5.02 115.64 111.48 2yrl s THR 24 Ca -0.07 -1.54 0.03 0.00 -1.21 0.00 0.00 61.69 58.89 2yrl s THR 24 Cb -0.06 -2.27 0.01 0.00 -1.51 0.00 0.00 72.50 68.67 2yrl s THR 24 CO -0.12 0.00 -0.16 0.42 -2.21 0.00 0.00 174.62 172.55 2yrl s THR 25 N -4.05 1.48 -0.77 5.08 -4.23 -1.26 -2.16 115.64 109.72 2yrl s THR 25 Ca 0.26 -0.67 -0.06 0.00 -1.18 0.00 0.00 61.69 60.04 2yrl s THR 25 Cb 0.01 -1.33 0.20 0.00 1.34 0.00 0.00 72.50 72.72 2yrl s THR 25 CO 0.10 0.43 0.65 -0.76 -0.54 0.00 0.00 174.62 174.50 2yrl s LEU 26 N 0.66 5.75 -0.12 4.79 1.43 -0.34 -4.95 118.68 125.91 2yrl s LEU 26 Ca -0.14 -3.09 -0.23 0.00 -1.03 0.00 0.00 54.13 49.64 2yrl s LEU 26 Cb -0.16 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 2yrl s LEU 26 CO 0.04 -0.36 0.72 1.51 0.23 0.00 0.00 176.35 178.48 2yrl s ASP 27 N 0.87 6.91 -0.24 2.29 1.47 -1.26 -2.70 116.67 124.00 2yrl s ASP 27 Ca 0.21 1.10 0.10 0.00 1.18 0.00 0.00 52.55 55.14 2yrl s ASP 27 Cb -0.14 -2.41 0.45 0.00 -0.34 0.00 0.00 42.92 40.48 2yrl s ASP 27 CO -0.07 -0.22 1.29 0.61 0.68 0.00 0.00 175.17 177.46 2yrl n GLY 28 N 3.35 5.17 0.27 2.12 0.00 0.35 -4.53 105.19 111.93 2yrl n GLY 28 Ca 0.00 -1.38 0.12 0.00 0.00 0.00 0.00 46.02 44.77 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 1.08 0.00 -1.20 1.61 4.64 -1.86 -2.79 113.55 115.02 2yrl h SER 29 Ca 0.09 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.86 2yrl h SER 29 Cb 1.21 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.10 2yrl h SER 29 CO 0.16 0.07 0.54 0.29 -0.87 0.00 0.00 176.83 177.02 2yrl n LYS 30 N -3.90 2.43 -1.65 4.77 5.02 -1.26 -4.99 118.16 118.58 2yrl n LYS 30 Ca -0.02 -2.55 -0.42 0.00 -2.02 0.00 0.00 58.31 53.30 2yrl n LYS 30 Cb 0.16 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 2yrl n LYS 30 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2yrl n SER 31 N 0.50 1.94 -0.24 4.39 7.64 -1.05 -4.57 113.62 122.22 2yrl n SER 31 Ca 0.49 1.11 0.01 0.00 1.01 0.00 0.00 58.87 61.50 2yrl n SER 31 Cb 0.49 -1.41 0.09 0.00 -1.01 0.00 0.00 64.21 62.38 2yrl n SER 31 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2yrl h SER 32 N 1.96 -0.55 -3.53 6.43 0.02 -1.81 -3.40 113.55 112.68 2yrl h SER 32 Ca -0.45 0.20 -0.52 0.00 -0.84 0.00 0.00 61.79 60.18 2yrl h SER 32 Cb 1.31 0.40 0.02 0.00 0.14 0.00 0.00 62.40 64.27 2yrl h SER 32 CO 0.59 -0.21 0.53 1.51 -1.14 0.00 0.00 176.83 178.12 2yrl s ASP 33 N -5.22 7.14 0.11 3.07 -4.77 -1.26 -4.93 116.67 110.80 2yrl s ASP 33 Ca -0.14 2.21 0.24 0.00 -3.30 0.00 0.00 52.55 51.56 2yrl s ASP 33 Cb 0.21 -2.61 0.37 0.00 -1.09 0.00 0.00 42.92 39.80 2yrl s ASP 33 CO 0.74 -0.32 1.34 -0.90 0.70 0.00 0.00 175.17 176.73 2yrl n ASP 34 N 2.34 0.68 -4.78 2.11 5.75 -1.26 -4.90 116.55 116.50 2yrl n ASP 34 Ca 0.03 0.10 -0.37 0.00 -0.01 0.00 0.00 54.79 54.55 2yrl n ASP 34 Cb 0.45 0.15 -0.03 0.00 -1.03 0.00 0.00 41.12 40.66 2yrl n ASP 34 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2yrl s GLN 35 N -3.15 4.03 -0.29 0.11 -1.52 -1.26 -4.88 119.66 112.71 2yrl s GLN 35 Ca 0.07 1.64 -0.37 0.00 -1.95 0.00 0.00 55.36 54.75 2yrl s GLN 35 Cb 0.14 -2.53 -0.17 0.00 -0.22 0.00 0.00 33.01 30.23 2yrl s GLN 35 CO 0.72 -0.29 1.19 1.63 -0.25 0.00 0.00 175.29 178.29 2yrl n LYS 36 N -0.16 0.00 -0.07 2.91 5.02 -1.26 -4.70 118.16 119.90 2yrl n LYS 36 Ca 0.05 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.12 2yrl n LYS 36 Cb 0.49 -1.24 -0.12 0.00 -0.02 0.00 0.00 35.03 34.13 2yrl n LYS 36 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2yrl n ILE 37 N 2.68 1.62 -2.62 -0.18 -0.00 -1.26 -0.61 119.36 119.00 2yrl n ILE 37 Ca 0.23 -0.27 -0.03 0.00 -0.00 0.00 0.00 62.75 62.68 2yrl n ILE 37 Cb -0.01 -1.92 -0.00 0.00 -0.00 0.00 0.00 39.64 37.70 2yrl n ILE 37 CO 0.00 0.00 0.00 2.30 -0.00 0.00 0.00 176.55 178.85 2yrl n ILE 38 N -4.08 -0.04 -3.65 1.39 -5.35 -1.26 -4.25 119.36 102.11 2yrl n ILE 38 Ca -0.33 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.05 2yrl n ILE 38 Cb 0.82 -0.15 -0.08 0.00 -1.74 0.00 0.00 39.64 38.50 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 -2.08 -0.79 -0.20 7.28 0.15 -1.26 -4.95 113.70 111.84 2yrl s SER 39 Ca 0.05 1.36 -0.06 0.00 0.70 0.00 0.00 55.95 58.00 2yrl s SER 39 Cb -0.03 1.28 0.10 0.00 -1.71 0.00 0.00 66.02 65.66 2yrl s SER 39 CO 0.06 -0.23 0.39 -0.31 1.20 0.00 0.00 173.24 174.36 2yrl s TYR 40 N 1.15 -0.76 0.04 3.44 2.02 -1.26 -4.49 117.35 117.49 2yrl s TYR 40 Ca -0.06 1.32 0.03 0.00 -0.37 0.00 0.00 57.07 57.99 2yrl s TYR 40 Cb -0.05 0.20 -0.02 0.00 -0.40 0.00 0.00 41.96 41.69 2yrl s TYR 40 CO -0.12 -0.52 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.07 2yrl s LEU 41 N 2.58 2.19 -0.10 -1.29 2.96 -1.01 -3.07 118.68 120.93 2yrl s LEU 41 Ca 0.02 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 2yrl s LEU 41 Cb -0.13 -0.39 0.04 0.00 0.50 0.00 0.00 46.19 46.21 2yrl s LEU 41 CO -0.13 -0.05 0.05 0.26 -1.32 0.00 0.00 176.35 175.16 2yrl s TRP 42 N -0.96 0.36 0.01 5.38 0.52 -0.01 -2.94 118.94 121.29 2yrl s TRP 42 Ca -0.03 -0.13 -0.01 0.00 0.02 0.00 0.00 56.10 55.96 2yrl s TRP 42 Cb -0.08 -0.68 -0.01 0.00 -1.15 0.00 0.00 33.47 31.55 2yrl s TRP 42 CO 0.01 -0.36 0.00 -1.21 0.02 0.00 0.00 176.95 175.41 2yrl s GLU 43 N 2.08 0.22 -0.43 4.98 2.02 -1.23 -4.80 118.70 121.55 2yrl s GLU 43 Ca 0.03 -0.37 -0.21 0.00 0.02 0.00 0.00 54.97 54.45 2yrl s GLU 43 Cb -0.14 0.08 0.02 0.00 0.10 0.00 0.00 34.13 34.20 2yrl s GLU 43 CO -0.06 -0.04 0.66 0.21 0.02 0.00 0.00 175.26 176.05 2yrl s LYS 44 N -0.94 3.35 -0.01 1.61 2.20 -1.26 -0.32 119.74 124.37 2yrl s LYS 44 Ca -0.10 -0.28 -0.20 0.00 -0.36 0.00 0.00 55.97 55.02 2yrl s LYS 44 Cb -0.06 -3.93 -0.25 0.00 -1.51 0.00 0.00 37.83 32.08 2yrl s LYS 44 CO -0.00 -0.98 1.06 1.79 -0.36 0.00 0.00 175.35 176.85 2yrl h THR 45 N 5.86 1.45 -2.47 3.43 1.35 0.22 -3.48 112.91 119.27 2yrl h THR 45 Ca -0.25 -2.17 -0.57 0.00 -0.55 0.00 0.00 66.41 62.87 2yrl h THR 45 Cb 1.10 2.72 -0.13 0.00 -1.73 0.00 0.00 68.15 70.10 2yrl h THR 45 CO 0.89 0.63 -0.51 -1.10 -0.25 0.00 0.00 175.52 175.18 2yrl s GLN 46 N -3.06 1.96 0.00 4.72 -0.21 -1.06 -4.99 119.66 117.02 2yrl s GLN 46 Ca -0.13 -2.20 0.00 0.00 0.02 0.00 0.00 55.36 53.05 2yrl s GLN 46 Cb 0.03 -0.68 0.00 0.00 1.00 0.00 0.00 33.01 33.36 2yrl s GLN 46 CO 0.82 -0.47 0.00 0.41 -2.12 0.00 0.00 175.29 173.93 2yrl n GLY 47 N -0.94 1.46 3.77 3.09 0.00 -1.22 -2.65 105.19 108.69 2yrl n GLY 47 Ca -0.07 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 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 3.86 -0.25 1.61 0.04 -1.26 -5.01 135.00 131.95 2yrl s PRO 48 Ca 0.00 1.81 -0.19 0.00 0.04 0.00 0.00 61.00 62.66 2yrl s PRO 48 Cb 0.00 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 32.01 2yrl s PRO 48 CO 0.00 -0.48 0.56 -0.51 0.04 0.00 0.00 177.00 176.61 2yrl s ASP 49 N -1.26 6.50 0.00 6.66 1.01 -1.26 -4.53 116.67 123.79 2yrl s ASP 49 Ca 0.61 0.60 0.00 0.00 0.71 0.00 0.00 52.55 54.48 2yrl s ASP 49 Cb -0.30 -2.30 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2yrl s ASP 49 CO 0.37 -0.31 0.00 0.61 0.21 0.00 0.00 175.17 176.04 2yrl n GLY 50 N 4.27 0.18 3.61 0.21 0.00 -1.26 -5.15 105.19 107.04 2yrl n GLY 50 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2yrl n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yrl s VAL 51 N 0.00 2.19 -0.17 1.61 -7.23 -1.25 -4.85 120.40 110.70 2yrl s VAL 51 Ca 0.00 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 2yrl s VAL 51 Cb 0.00 -2.30 0.04 0.00 0.56 0.00 0.00 36.38 34.67 2yrl s VAL 51 CO 0.00 -0.08 -0.09 -1.10 -0.31 0.00 0.00 175.10 173.52 2yrl s GLN 52 N -4.70 1.85 -0.23 4.82 -1.52 0.77 -4.91 119.66 115.75 2yrl s GLN 52 Ca 0.66 -0.61 -0.14 0.00 -1.95 0.00 0.00 55.36 53.32 2yrl s GLN 52 Cb -0.22 -2.13 -0.04 0.00 -0.22 0.00 0.00 33.01 30.41 2yrl s GLN 52 CO 0.60 -0.37 0.34 -0.51 -0.25 0.00 0.00 175.29 175.10 2yrl s LEU 53 N 1.52 4.12 -0.07 2.90 1.43 -1.26 -1.30 118.68 126.02 2yrl s LEU 53 Ca 0.01 0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 2yrl s LEU 53 Cb -0.15 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 2yrl s LEU 53 CO -0.09 -0.07 -0.13 -1.61 0.23 0.00 0.00 176.35 174.68 2yrl s GLU 54 N 1.42 2.75 -1.56 1.70 8.01 0.60 -4.58 118.70 127.04 2yrl s GLU 54 Ca 0.15 -0.68 -0.04 0.00 0.01 0.00 0.00 54.97 54.41 2yrl s GLU 54 Cb -0.15 -2.46 0.00 0.00 -4.31 0.00 0.00 34.13 27.22 2yrl s GLU 54 CO 0.08 0.52 0.56 0.09 0.01 0.00 0.00 175.26 176.52 2yrl n ASN 55 N 2.61 -6.08 0.24 -0.19 3.02 -1.26 -1.98 115.26 111.62 2yrl n ASN 55 Ca -0.17 -0.26 0.18 0.00 -0.03 0.00 0.00 54.58 54.29 2yrl n ASN 55 Cb 0.52 -4.91 0.88 0.00 -0.61 0.00 0.00 39.78 35.66 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 0.99 1.63 -0.43 5.41 0.00 -1.87 -0.18 119.26 124.81 2yrl h ALA 56 Ca -0.52 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.16 2yrl h ALA 56 Cb 1.36 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.03 2yrl h ALA 56 CO 0.56 -0.27 0.29 -1.71 0.00 0.00 0.00 179.25 178.12 2yrl n ASN 57 N -3.56 3.38 -4.20 0.00 2.85 -1.26 -0.83 115.26 111.64 2yrl n ASN 57 Ca 0.01 -2.70 -0.12 0.00 -0.11 0.00 0.00 54.58 51.65 2yrl n ASN 57 Cb 0.31 -0.65 -0.10 0.00 1.24 0.00 0.00 39.78 40.57 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 0.01 1.05 0.38 1.20 0.01 -0.08 -4.67 113.70 111.59 2yrl s SER 58 Ca 0.25 -1.12 0.07 0.00 1.31 0.00 0.00 55.95 56.46 2yrl s SER 58 Cb 0.21 0.14 0.80 0.00 0.21 0.00 0.00 66.02 67.38 2yrl s SER 58 CO 0.05 -0.56 1.98 0.77 0.41 0.00 0.00 173.24 175.89 2yrl h SER 59 N 2.82 0.59 -3.57 2.44 4.64 -1.84 -3.38 113.55 115.24 2yrl h SER 59 Ca -0.36 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.29 2yrl h SER 59 Cb 1.19 -0.13 -0.32 0.00 -0.31 0.00 0.00 62.40 62.83 2yrl h SER 59 CO 0.63 0.38 -0.74 -0.69 -0.87 0.00 0.00 176.83 175.54 2yrl s VAL 60 N -5.60 2.85 0.22 0.95 1.01 -1.26 -0.49 120.40 118.07 2yrl s VAL 60 Ca -0.09 -1.13 0.06 0.00 0.00 0.00 0.00 61.98 60.83 2yrl s VAL 60 Cb 0.19 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2yrl s VAL 60 CO 0.76 0.13 0.16 0.00 0.00 0.00 0.00 175.10 176.15 2yrl s ALA 61 N 1.30 3.55 -0.11 5.51 0.00 -1.10 -4.83 121.76 126.09 2yrl s ALA 61 Ca -0.01 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.61 2yrl s ALA 61 Cb -0.17 -1.29 0.02 0.00 0.00 0.00 0.00 23.12 21.67 2yrl s ALA 61 CO -0.04 0.35 -0.13 0.99 0.00 0.00 0.00 175.76 176.93 2yrl s THR 62 N -1.99 1.33 -0.11 0.00 2.01 -0.84 -1.20 115.64 114.84 2yrl s THR 62 Ca 0.32 -0.53 -0.00 0.00 0.31 0.00 0.00 61.69 61.79 2yrl s THR 62 Cb -0.09 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 2yrl s THR 62 CO 0.24 0.41 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.78 2yrl s VAL 63 N 1.14 3.32 0.25 3.82 1.01 -0.92 -0.29 120.40 128.73 2yrl s VAL 63 Ca -0.04 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.41 2yrl s VAL 63 Cb -0.14 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 2yrl s VAL 63 CO -0.03 0.54 -0.06 0.42 0.00 0.00 0.00 175.10 175.97 2yrl s THR 64 N 0.01 1.50 -0.55 3.92 -4.23 -0.42 -2.32 115.64 113.55 2yrl s THR 64 Ca -0.03 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 58.34 2yrl s THR 64 Cb -0.14 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.35 2yrl s THR 64 CO 0.04 -0.36 0.47 0.61 -0.54 0.00 0.00 174.62 174.84 2yrl n GLY 65 N -0.51 0.32 3.89 3.99 0.00 -0.67 -0.17 105.19 112.05 2yrl n GLY 65 Ca -0.06 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.60 3.46 0.02 0.99 1.43 -1.21 -3.84 118.68 115.93 2yrl s LEU 66 Ca 0.21 1.12 -0.19 0.00 -1.03 0.00 0.00 54.13 54.25 2yrl s LEU 66 Cb -0.09 -4.12 0.04 0.00 0.03 0.00 0.00 46.19 42.05 2yrl s LEU 66 CO 0.30 -0.71 0.42 -1.10 0.23 0.00 0.00 176.35 175.49 2yrl s GLN 67 N -4.92 0.88 -0.45 1.70 -0.21 -1.26 -4.76 119.66 110.63 2yrl s GLN 67 Ca 0.51 -0.25 -0.45 0.00 0.02 0.00 0.00 55.36 55.19 2yrl s GLN 67 Cb -0.11 0.40 -0.19 0.00 1.00 0.00 0.00 33.01 34.11 2yrl s GLN 67 CO 0.49 -0.29 1.71 1.55 -2.12 0.00 0.00 175.29 176.63 2yrl n VAL 68 N 0.73 0.07 0.00 1.09 3.14 -1.26 -4.64 118.33 117.46 2yrl n VAL 68 Ca -0.19 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 2yrl n VAL 68 Cb 0.59 -0.69 0.00 0.00 -1.06 0.00 0.00 33.84 32.68 2yrl n VAL 68 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2yrl n GLY 69 N 4.53 -0.63 2.80 7.55 0.00 -0.92 -4.93 105.19 113.60 2yrl n GLY 69 Ca 0.33 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.00 0.43 -0.16 2.61 2.01 -1.26 -2.43 115.64 112.83 2yrl s THR 70 Ca 0.00 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.07 2yrl s THR 70 Cb 0.00 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.97 2yrl s THR 70 CO 0.00 0.25 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.67 2yrl s TYR 71 N 1.73 2.71 -0.37 4.92 1.51 -0.64 -3.45 117.35 123.76 2yrl s TYR 71 Ca 0.01 -1.50 -0.06 0.00 -1.01 0.00 0.00 57.07 54.52 2yrl s TYR 71 Cb -0.13 -1.86 0.07 0.00 -0.11 0.00 0.00 41.96 39.93 2yrl s TYR 71 CO -0.04 -0.71 0.16 0.08 -1.11 0.00 0.00 175.55 173.92 2yrl s VAL 72 N 1.07 3.73 -0.27 0.71 1.01 -1.08 -1.73 120.40 123.83 2yrl s VAL 72 Ca -0.01 -1.42 -0.09 0.00 0.00 0.00 0.00 61.98 60.47 2yrl s VAL 72 Cb -0.14 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 2yrl s VAL 72 CO -0.08 -0.36 0.11 -0.36 0.00 0.00 0.00 175.10 174.41 2yrl s PHE 73 N 1.34 3.13 -0.44 5.22 0.08 -1.21 0.95 117.98 127.05 2yrl s PHE 73 Ca 0.01 -0.38 -0.19 0.00 0.12 0.00 0.00 56.93 56.49 2yrl s PHE 73 Cb -0.21 -2.29 0.03 0.00 -0.57 0.00 0.00 43.02 39.98 2yrl s PHE 73 CO 0.01 -0.36 0.53 0.99 -0.10 0.00 0.00 175.22 176.29 2yrl s THR 74 N 1.64 4.98 -0.48 0.64 2.01 0.56 -2.15 115.64 122.83 2yrl s THR 74 Ca 0.06 -0.27 -0.25 0.00 0.31 0.00 0.00 61.69 61.53 2yrl s THR 74 Cb -0.16 -4.14 0.03 0.00 0.01 0.00 0.00 72.50 68.24 2yrl s THR 74 CO 0.06 -0.55 0.92 -0.22 -0.69 0.00 0.00 174.62 174.13 2yrl s LEU 75 N 2.41 4.03 -0.20 4.42 2.96 0.10 -3.49 118.68 128.91 2yrl s LEU 75 Ca 0.15 0.02 -0.17 0.00 -0.22 0.00 0.00 54.13 53.92 2yrl s LEU 75 Cb -0.17 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 2yrl s LEU 75 CO 0.15 -1.07 0.43 -0.89 -1.32 0.00 0.00 176.35 173.65 2yrl s THR 76 N 3.76 5.17 -0.00 3.68 2.01 -1.15 -1.60 115.64 127.51 2yrl s THR 76 Ca 0.35 0.78 0.03 0.00 0.31 0.00 0.00 61.69 63.16 2yrl s THR 76 Cb -0.11 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 2yrl s THR 76 CO 0.25 0.23 -0.09 0.68 -0.69 0.00 0.00 174.62 174.99 2yrl s VAL 77 N 1.43 0.72 -0.19 3.82 -7.23 -0.63 -2.41 120.40 115.90 2yrl s VAL 77 Ca 0.20 -0.42 0.01 0.00 -1.81 0.00 0.00 61.98 59.96 2yrl s VAL 77 Cb -0.15 -0.61 0.02 0.00 0.56 0.00 0.00 36.38 36.20 2yrl s VAL 77 CO 0.09 0.18 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.34 2yrl s LYS 78 N -0.27 2.94 1.03 4.82 1.02 -1.26 -3.00 119.74 125.01 2yrl s LYS 78 Ca 0.03 -0.87 -0.14 0.00 0.02 0.00 0.00 55.97 55.01 2yrl s LYS 78 Cb -0.04 -2.64 0.20 0.00 -0.52 0.00 0.00 37.83 34.83 2yrl s LYS 78 CO -0.00 -0.25 1.11 0.34 -0.92 0.00 0.00 175.35 175.63 2yrl s ASP 79 N 1.29 2.40 0.60 2.83 2.15 -1.14 -4.31 116.67 120.50 2yrl s ASP 79 Ca 0.04 1.00 0.29 0.00 0.43 0.00 0.00 52.55 54.31 2yrl s ASP 79 Cb -0.14 -1.56 1.54 0.00 -0.30 0.00 0.00 42.92 42.46 2yrl s ASP 79 CO -0.11 -3.25 1.94 -0.08 -0.17 0.00 0.00 175.17 173.50 2yrl h GLU 80 N -1.98 0.00 -1.08 4.34 4.81 -1.10 0.19 114.58 119.76 2yrl h GLU 80 Ca -0.52 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.36 2yrl h GLU 80 Cb 1.32 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.51 2yrl h GLU 80 CO 0.54 0.00 0.44 0.54 -0.73 0.00 0.00 179.01 179.80 2yrl n ARG 81 N -3.59 1.85 -1.92 1.92 1.74 -1.26 -4.84 116.66 110.56 2yrl n ARG 81 Ca 0.05 -1.93 -0.05 0.00 -0.77 0.00 0.00 57.85 55.15 2yrl n ARG 81 Cb 0.55 -1.76 -0.01 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 -0.43 -1.89 -4.68 0.55 4.13 0.65 -4.83 115.26 108.77 2yrl n ASN 82 Ca 0.38 0.27 -0.42 0.00 1.68 0.00 0.00 54.58 56.49 2yrl n ASN 82 Cb 1.10 -1.83 -0.03 0.00 -1.54 0.00 0.00 39.78 37.49 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 -4.19 4.32 -0.19 3.41 1.43 -1.24 -4.82 118.68 117.40 2yrl s LEU 83 Ca 0.00 2.18 -0.22 0.00 -1.03 0.00 0.00 54.13 55.05 2yrl s LEU 83 Cb 0.00 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 2yrl s LEU 83 CO 0.00 -0.79 0.70 -1.58 0.23 0.00 0.00 176.35 174.91 2yrl s GLN 84 N 2.76 4.24 -0.29 1.70 0.74 -1.26 -2.86 119.66 124.69 2yrl s GLN 84 Ca 0.67 0.75 -0.15 0.00 0.05 0.00 0.00 55.36 56.68 2yrl s GLN 84 Cb -0.33 -3.58 0.11 0.00 1.10 0.00 0.00 33.01 30.32 2yrl s GLN 84 CO 0.27 -0.27 0.77 -1.54 -0.55 0.00 0.00 175.29 173.97 2yrl s SER 85 N 1.19 -0.86 0.04 6.67 1.04 -1.16 -3.79 113.70 116.82 2yrl s SER 85 Ca 0.32 1.32 0.03 0.00 0.48 0.00 0.00 55.95 58.11 2yrl s SER 85 Cb -0.16 1.55 -0.02 0.00 0.10 0.00 0.00 66.02 67.48 2yrl s SER 85 CO 0.11 -0.20 -0.10 0.00 0.98 0.00 0.00 173.24 174.02 2yrl s GLN 86 N 1.87 0.66 -0.05 4.02 -2.07 -1.26 -1.61 119.66 121.23 2yrl s GLN 86 Ca -0.08 -0.74 0.03 0.00 -1.82 0.00 0.00 55.36 52.74 2yrl s GLN 86 Cb -0.06 -0.56 0.01 0.00 -1.09 0.00 0.00 33.01 31.30 2yrl s GLN 86 CO -0.19 0.12 -0.13 0.45 -1.32 0.00 0.00 175.29 174.23 2yrl s SER 87 N -1.38 1.78 -0.07 12.60 0.15 -0.63 -4.82 113.70 121.34 2yrl s SER 87 Ca -0.05 -0.29 -0.06 0.00 0.70 0.00 0.00 55.95 56.26 2yrl s SER 87 Cb -0.09 -0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 63.55 2yrl s SER 87 CO 0.01 0.08 0.17 -0.44 1.20 0.00 0.00 173.24 174.26 2yrl s SER 88 N 0.33 6.40 -0.06 5.45 0.01 -1.26 -0.72 113.70 123.86 2yrl s SER 88 Ca -0.08 0.44 0.05 0.00 1.31 0.00 0.00 55.95 57.67 2yrl s SER 88 Cb -0.13 -2.05 -0.02 0.00 0.21 0.00 0.00 66.02 64.04 2yrl s SER 88 CO 0.02 0.35 -0.21 0.54 0.41 0.00 0.00 173.24 174.35 2yrl s VAL 89 N -1.15 2.45 -0.42 3.43 0.11 -0.92 -4.94 120.40 118.97 2yrl s VAL 89 Ca 0.20 -0.93 -0.24 0.00 -2.93 0.00 0.00 61.98 58.08 2yrl s VAL 89 Cb -0.12 -1.92 0.02 0.00 -1.53 0.00 0.00 36.38 32.82 2yrl s VAL 89 CO 0.10 0.57 0.83 0.20 -3.33 0.00 0.00 175.10 173.48 2yrl s ASN 90 N -0.36 6.50 -0.41 3.54 0.01 -1.26 -3.33 114.94 119.63 2yrl s ASN 90 Ca 0.03 0.15 -0.07 0.00 -0.71 0.00 0.00 52.86 52.26 2yrl s ASN 90 Cb -0.12 -2.41 0.08 0.00 0.41 0.00 0.00 41.25 39.21 2yrl s ASN 90 CO 0.02 -0.89 0.22 -0.69 -1.51 0.00 0.00 177.10 174.26 2yrl s VAL 91 N 3.36 3.94 -0.12 1.60 1.01 -0.70 -1.31 120.40 128.16 2yrl s VAL 91 Ca 0.33 -1.52 -0.13 0.00 0.00 0.00 0.00 61.98 60.66 2yrl s VAL 91 Cb -0.12 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 2yrl s VAL 91 CO 0.21 -0.50 0.28 -0.63 0.00 0.00 0.00 175.10 174.47 2yrl s ILE 92 N 1.36 5.29 0.03 2.22 1.01 0.11 -1.62 121.20 129.59 2yrl s ILE 92 Ca 0.03 0.53 0.09 0.00 0.00 0.00 0.00 60.65 61.30 2yrl s ILE 92 Cb -0.23 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 2yrl s ILE 92 CO 0.01 0.47 -0.26 -0.69 0.00 0.00 0.00 174.94 174.46 2yrl s VAL 93 N -0.10 2.09 0.33 2.92 1.01 -1.02 -1.65 120.40 123.98 2yrl s VAL 93 Ca 0.17 -1.32 0.05 0.00 0.00 0.00 0.00 61.98 60.88 2yrl s VAL 93 Cb -0.13 -1.78 -0.07 0.00 0.00 0.00 0.00 36.38 34.40 2yrl s VAL 93 CO 0.06 0.41 0.03 -0.54 0.00 0.00 0.00 175.10 175.06 2yrl s LYS 94 N -1.09 1.68 0.29 2.72 3.01 -0.35 -2.16 119.74 123.84 2yrl s LYS 94 Ca 0.11 -1.92 -0.00 0.00 -1.01 0.00 0.00 55.97 53.15 2yrl s LYS 94 Cb -0.10 -1.02 -0.04 0.00 -1.01 0.00 0.00 37.83 35.67 2yrl s LYS 94 CO 0.01 -0.13 0.49 -1.21 0.51 0.00 0.00 175.35 175.01 2yrl s GLU 95 N -3.84 3.51 0.19 1.68 2.02 -1.26 -1.65 118.70 119.35 2yrl s GLU 95 Ca 0.35 -0.34 -0.30 0.00 0.02 0.00 0.00 54.97 54.70 2yrl s GLU 95 Cb 0.08 -2.73 -0.08 0.00 0.10 0.00 0.00 34.13 31.50 2yrl s GLU 95 CO 0.15 0.26 1.10 -2.00 0.02 0.00 0.00 175.26 174.79 2yrl s GLU 96 N -3.91 4.60 -0.47 1.61 -6.30 -1.26 -4.67 118.70 108.29 2yrl s GLU 96 Ca 0.39 1.73 -0.26 0.00 -2.50 0.00 0.00 54.97 54.33 2yrl s GLU 96 Cb -0.10 -3.27 -0.06 0.00 0.00 0.00 0.00 34.13 30.70 2yrl s GLU 96 CO 0.33 0.08 2.35 0.45 0.02 0.00 0.00 175.26 178.49 2yrl s SER 97 N -0.17 4.59 0.09 -1.70 0.15 -1.26 -4.94 113.70 110.47 2yrl s SER 97 Ca 0.49 1.12 0.09 0.00 0.70 0.00 0.00 55.95 58.35 2yrl s SER 97 Cb -0.30 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.47 2yrl s SER 97 CO 0.35 -2.76 -0.23 -0.83 1.20 0.00 0.00 173.24 170.98 2yrl s GLY 98 N 11.53 1.58 -0.22 9.45 0.00 -1.26 -5.09 107.32 123.30 2yrl s GLY 98 Ca 0.96 -1.35 -0.29 0.00 0.00 0.00 0.00 44.72 44.04 2yrl s GLY 98 CO 0.27 -1.30 1.61 2.56 0.00 0.00 0.00 173.10 176.24 2yrl s PRO 99 N -1.82 3.80 -0.40 2.90 0.04 -1.26 -4.90 135.00 133.36 2yrl s PRO 99 Ca 0.15 1.66 -0.40 0.00 0.04 0.00 0.00 61.00 62.44 2yrl s PRO 99 Cb -0.10 -4.03 -0.16 0.00 0.04 0.00 0.00 34.50 30.25 2yrl s PRO 99 CO 0.06 -1.29 2.04 0.45 0.04 0.00 0.00 177.00 178.29 2yrl n SER 100 N 8.44 1.63 -4.56 6.66 2.88 -1.26 -4.72 113.62 122.69 2yrl n SER 100 Ca 0.19 0.70 -0.13 0.00 -1.33 0.00 0.00 58.87 58.30 2yrl n SER 100 Cb 0.45 -1.08 -0.08 0.00 -0.75 0.00 0.00 64.21 62.75 2yrl n SER 100 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yrl n SER 101 N 7.66 1.62 0.00 -3.46 2.88 -1.26 -5.36 113.62 115.70 2yrl n SER 101 Ca 0.42 -1.66 0.00 0.00 -1.33 0.00 0.00 58.87 56.30 2yrl n SER 101 Cb 0.09 -1.65 0.00 0.00 -0.75 0.00 0.00 64.21 61.90 2yrl n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42