#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 -0.21 0.08 1.61 1.04 -1.26 -5.17 113.70 109.80 2yrl s SER 2 Ca 0.00 0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.64 2yrl s SER 2 Cb 0.00 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 2yrl s SER 2 CO 0.00 -0.36 0.16 -0.55 0.98 0.00 0.00 173.24 173.48 2yrl s SER 3 N -0.97 6.01 0.00 7.02 0.15 -1.26 -5.05 113.70 119.60 2yrl s SER 3 Ca -0.10 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.68 2yrl s SER 3 Cb -0.05 -1.75 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 2yrl s SER 3 CO 0.03 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2yrl n GLY 4 N 0.24 0.17 3.95 9.45 0.00 -1.26 -5.12 105.19 112.62 2yrl n GLY 4 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 1.00 6.26 0.17 1.61 1.04 -1.26 -5.09 113.70 117.42 2yrl s SER 5 Ca 0.00 0.08 -0.27 0.00 0.48 0.00 0.00 55.95 56.24 2yrl s SER 5 Cb 0.00 -1.84 -0.08 0.00 0.10 0.00 0.00 66.02 64.20 2yrl s SER 5 CO 0.00 -0.02 0.85 -0.44 0.98 0.00 0.00 173.24 174.61 2yrl s SER 6 N -3.67 7.47 0.00 7.02 0.01 -1.26 -4.80 113.70 118.47 2yrl s SER 6 Ca 0.34 1.74 0.00 0.00 1.31 0.00 0.00 55.95 59.34 2yrl s SER 6 Cb -0.10 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2yrl s SER 6 CO 0.28 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.68 2yrl n GLY 7 N 1.73 0.65 0.43 3.44 0.00 -1.26 -4.99 105.19 105.20 2yrl n GLY 7 Ca -0.03 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 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 0.32 0.36 -3.92 1.61 6.02 -1.26 -3.82 117.38 116.68 2yrl n GLN 8 Ca 0.00 0.15 -0.35 0.00 -0.01 0.00 0.00 57.00 56.79 2yrl n GLN 8 Cb 0.00 -1.12 -0.14 0.00 1.02 0.00 0.00 30.24 30.01 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 -2.52 2.80 -0.47 -1.58 0.00 -1.26 -4.32 121.76 114.41 2yrl s ALA 9 Ca -0.21 -1.79 -0.12 0.00 0.00 0.00 0.00 51.96 49.84 2yrl s ALA 9 Cb 0.05 -1.92 0.10 0.00 0.00 0.00 0.00 23.12 21.34 2yrl s ALA 9 CO 0.29 -1.28 0.36 0.34 0.00 0.00 0.00 175.76 175.46 2yrl s ASP 10 N 1.25 5.88 -0.52 0.00 -1.08 -1.26 -4.45 116.67 116.50 2yrl s ASP 10 Ca -0.05 -1.61 0.02 0.00 -0.52 0.00 0.00 52.55 50.39 2yrl s ASP 10 Cb -0.20 -2.08 0.58 0.00 -1.46 0.00 0.00 42.92 39.76 2yrl s ASP 10 CO -0.02 -0.66 1.95 0.00 0.52 0.00 0.00 175.17 176.96 2yrl n ALA 11 N 5.05 5.81 -1.39 3.66 0.00 -1.26 -4.18 120.51 128.20 2yrl n ALA 11 Ca -0.11 -3.03 0.17 0.00 0.00 0.00 0.00 53.44 50.47 2yrl n ALA 11 Cb 0.42 -1.55 -0.09 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.02 -3.38 2.93 0.00 0.00 -1.26 -4.68 105.19 97.78 2yrl n GLY 12 Ca 0.60 -1.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.25 -2.81 -1.60 1.61 -0.04 -1.26 -4.85 135.00 121.79 2yrl n PRO 13 Ca -0.09 -1.46 -0.42 0.00 -0.04 0.00 0.00 63.50 61.48 2yrl n PRO 13 Cb 0.66 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 2yrl n PRO 13 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2yrl n ASP 14 N -4.57 1.26 -4.56 3.54 5.68 -1.26 -4.78 116.55 111.86 2yrl n ASP 14 Ca 0.13 1.07 -0.34 0.00 -0.50 0.00 0.00 54.79 55.15 2yrl n ASP 14 Cb 0.49 -1.34 -0.11 0.00 -1.14 0.00 0.00 41.12 39.03 2yrl n ASP 14 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2yrl s LYS 15 N -1.88 3.55 -0.22 0.11 -0.14 0.51 -4.99 119.74 116.68 2yrl s LYS 15 Ca 0.62 -0.48 -0.03 0.00 -1.36 0.00 0.00 55.97 54.72 2yrl s LYS 15 Cb -0.59 -2.92 0.07 0.00 -1.68 0.00 0.00 37.83 32.71 2yrl s LYS 15 CO 0.58 0.35 0.07 -2.00 -0.76 0.00 0.00 175.35 173.59 2yrl s GLU 16 N 0.08 0.47 0.14 1.68 2.12 -1.26 -0.09 118.70 121.84 2yrl s GLU 16 Ca 0.01 -0.45 0.06 0.00 0.36 0.00 0.00 54.97 54.95 2yrl s GLU 16 Cb -0.13 -1.90 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 2yrl s GLU 16 CO 0.02 -0.75 0.00 -0.51 -0.54 0.00 0.00 175.26 173.49 2yrl s LEU 17 N 1.92 3.38 -0.18 2.70 1.43 0.44 -4.98 118.68 123.40 2yrl s LEU 17 Ca 0.02 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2yrl s LEU 17 Cb -0.17 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 44.03 2yrl s LEU 17 CO -0.15 0.12 0.02 -0.89 0.23 0.00 0.00 176.35 175.69 2yrl s THR 18 N -1.54 0.61 0.78 5.49 2.01 -1.26 -0.42 115.64 121.30 2yrl s THR 18 Ca 0.27 -0.50 -0.17 0.00 0.31 0.00 0.00 61.69 61.60 2yrl s THR 18 Cb -0.10 -1.02 -0.14 0.00 0.01 0.00 0.00 72.50 71.24 2yrl s THR 18 CO 0.18 -0.11 -0.52 0.18 -0.69 0.00 0.00 174.62 173.66 2yrl n LEU 19 N 5.03 -4.93 0.00 4.42 4.77 0.97 -2.20 117.00 125.06 2yrl n LEU 19 Ca -0.09 0.35 0.08 0.00 -0.03 0.00 0.00 56.01 56.31 2yrl n LEU 19 Cb 0.47 -0.76 0.44 0.00 -2.33 0.00 0.00 43.42 41.24 2yrl n LEU 19 CO 0.13 -5.34 0.68 -0.81 -1.33 0.00 0.00 177.39 170.72 2yrl n PRO 20 N 2.03 0.41 -1.55 3.23 -0.04 -1.26 -3.60 135.00 134.23 2yrl n PRO 20 Ca 0.02 0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.36 2yrl n PRO 20 Cb 0.50 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.82 0.52 0.31 -0.93 -4.72 118.33 110.61 2yrl n VAL 21 Ca 0.10 -0.51 -0.27 0.00 -0.01 0.00 0.00 64.34 63.66 2yrl n VAL 21 Cb 0.07 -1.59 0.04 0.00 -0.91 0.00 0.00 33.84 31.45 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 15.86 5.75 -3.68 4.52 5.68 -1.26 -4.04 116.55 139.38 2yrl n ASP 22 Ca 0.51 -3.76 -0.10 0.00 -0.50 0.00 0.00 54.79 50.94 2yrl n ASP 22 Cb 0.37 -0.53 -0.10 0.00 -1.14 0.00 0.00 41.12 39.72 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 -3.08 -0.64 0.19 -1.12 1.04 -1.26 -2.08 113.70 106.76 2yrl s SER 23 Ca 0.55 1.08 -0.06 0.00 0.48 0.00 0.00 55.95 58.00 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 -0.20 0.25 0.28 0.98 0.00 0.00 173.24 174.57 2yrl s THR 24 N 1.35 0.03 -0.16 2.02 -1.32 -0.93 -5.02 115.64 111.61 2yrl s THR 24 Ca -0.09 -1.66 -0.01 0.00 -1.21 0.00 0.00 61.69 58.72 2yrl s THR 24 Cb -0.07 -2.17 0.04 0.00 -1.51 0.00 0.00 72.50 68.79 2yrl s THR 24 CO -0.13 -0.15 -0.03 0.42 -2.21 0.00 0.00 174.62 172.51 2yrl s THR 25 N -4.05 0.92 -1.02 5.08 -4.23 -1.26 -1.08 115.64 110.00 2yrl s THR 25 Ca 0.26 -0.53 -0.18 0.00 -1.18 0.00 0.00 61.69 60.07 2yrl s THR 25 Cb 0.04 -1.15 0.13 0.00 1.34 0.00 0.00 72.50 72.86 2yrl s THR 25 CO 0.06 0.09 1.24 -0.76 -0.54 0.00 0.00 174.62 174.71 2yrl s LEU 26 N 1.71 4.91 -0.50 4.79 1.43 -0.13 -4.89 118.68 126.00 2yrl s LEU 26 Ca 0.01 -2.25 -0.27 0.00 -1.03 0.00 0.00 54.13 50.58 2yrl s LEU 26 Cb -0.15 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.68 2yrl s LEU 26 CO -0.07 -1.02 1.07 -0.62 0.23 0.00 0.00 176.35 175.94 2yrl s ASP 27 N 3.54 6.53 -0.26 2.29 2.15 -1.26 -2.71 116.67 126.95 2yrl s ASP 27 Ca 0.37 0.23 0.13 0.00 0.43 0.00 0.00 52.55 53.70 2yrl s ASP 27 Cb -0.04 -2.51 0.73 0.00 -0.30 0.00 0.00 42.92 40.80 2yrl s ASP 27 CO -0.07 -1.24 1.71 0.61 -0.17 0.00 0.00 175.17 176.01 2yrl n GLY 28 N 4.94 3.51 2.04 2.66 0.00 0.94 -4.41 105.19 114.86 2yrl n GLY 28 Ca 0.09 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 2yrl n GLY 28 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yrl n SER 29 N 0.06 4.23 -0.61 1.61 2.88 -1.25 -3.65 113.62 116.89 2yrl n SER 29 Ca 0.32 -2.27 0.04 0.00 -1.33 0.00 0.00 58.87 55.63 2yrl n SER 29 Cb 1.21 -1.11 0.07 0.00 -0.75 0.00 0.00 64.21 63.63 2yrl n SER 29 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2yrl n LYS 30 N 2.47 0.57 -1.26 -1.46 4.76 -1.26 -5.09 118.16 116.90 2yrl n LYS 30 Ca 0.30 -1.97 -0.30 0.00 -2.87 0.00 0.00 58.31 53.47 2yrl n LYS 30 Cb 0.70 -0.82 0.23 0.00 -1.84 0.00 0.00 35.03 33.29 2yrl n LYS 30 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2yrl s SER 31 N -2.04 1.37 -0.47 4.39 0.15 -1.24 -4.77 113.70 111.10 2yrl s SER 31 Ca 0.21 0.56 -0.34 0.00 0.70 0.00 0.00 55.95 57.08 2yrl s SER 31 Cb 0.21 -0.76 -0.16 0.00 -1.71 0.00 0.00 66.02 63.61 2yrl s SER 31 CO -0.04 -3.84 1.80 -0.24 1.20 0.00 0.00 173.24 172.12 2yrl n SER 32 N -4.56 0.54 0.19 5.45 2.88 -1.25 -4.75 113.62 112.13 2yrl n SER 32 Ca 0.14 0.48 0.05 0.00 -1.33 0.00 0.00 58.87 58.21 2yrl n SER 32 Cb 0.59 -0.73 0.38 0.00 -0.75 0.00 0.00 64.21 63.70 2yrl n SER 32 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2yrl h ASP 33 N 7.64 0.00 0.10 -3.46 2.03 -1.93 -3.24 116.42 117.56 2yrl h ASP 33 Ca -0.07 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.22 2yrl h ASP 33 Cb 1.13 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 2yrl h ASP 33 CO 0.92 0.37 -0.05 -0.78 -1.03 0.00 0.00 179.24 178.67 2yrl h ASP 34 N 0.00 -0.12 -3.79 4.15 3.58 -2.01 -3.39 116.42 114.84 2yrl h ASP 34 Ca -0.00 -0.44 -0.77 0.00 0.42 0.00 0.00 57.03 56.23 2yrl h ASP 34 Cb 0.79 0.03 -0.29 0.00 1.72 0.00 0.00 39.33 41.58 2yrl h ASP 34 CO 0.05 0.52 0.08 -1.10 -2.88 0.00 0.00 179.24 175.91 2yrl s GLN 35 N -2.96 3.54 0.25 0.28 -0.21 -1.22 -5.05 119.66 114.30 2yrl s GLN 35 Ca -0.12 -2.70 -0.31 0.00 0.02 0.00 0.00 55.36 52.25 2yrl s GLN 35 Cb -0.00 -4.31 -0.13 0.00 1.00 0.00 0.00 33.01 29.56 2yrl s GLN 35 CO 0.46 -1.26 1.37 0.36 -2.12 0.00 0.00 175.29 174.10 2yrl n LYS 36 N 3.49 2.00 -2.39 2.91 2.85 -1.24 -4.64 118.16 121.14 2yrl n LYS 36 Ca 0.16 0.71 -0.24 0.00 -1.05 0.00 0.00 58.31 57.89 2yrl n LYS 36 Cb 0.43 -2.34 0.06 0.00 -0.65 0.00 0.00 35.03 32.53 2yrl n LYS 36 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2yrl s ILE 37 N -0.25 2.44 -0.27 0.58 -4.36 -1.26 -4.57 121.20 113.50 2yrl s ILE 37 Ca 0.66 -0.44 0.18 0.00 -0.26 0.00 0.00 60.65 60.79 2yrl s ILE 37 Cb -0.65 -3.00 0.49 0.00 1.25 0.00 0.00 42.46 40.56 2yrl s ILE 37 CO 0.52 0.00 1.12 2.30 0.24 0.00 0.00 174.94 179.12 2yrl n ILE 38 N -2.67 1.62 -3.64 8.37 -5.35 -0.96 -4.99 119.36 111.74 2yrl n ILE 38 Ca 0.08 -3.32 -0.09 0.00 -0.27 0.00 0.00 62.75 59.15 2yrl n ILE 38 Cb 0.60 0.57 -0.07 0.00 -1.74 0.00 0.00 39.64 39.00 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 -3.72 -0.79 -0.13 7.28 0.01 -1.21 -4.89 113.70 110.26 2yrl s SER 39 Ca 0.34 1.36 -0.05 0.00 1.31 0.00 0.00 55.95 58.91 2yrl s SER 39 Cb 0.35 1.35 0.06 0.00 0.21 0.00 0.00 66.02 68.00 2yrl s SER 39 CO -0.02 -0.22 0.28 -0.31 0.41 0.00 0.00 173.24 173.38 2yrl s TYR 40 N 1.08 -0.45 0.02 2.43 2.02 -1.26 -3.60 117.35 117.59 2yrl s TYR 40 Ca -0.06 1.00 0.01 0.00 -0.37 0.00 0.00 57.07 57.66 2yrl s TYR 40 Cb -0.05 0.02 -0.02 0.00 -0.40 0.00 0.00 41.96 41.52 2yrl s TYR 40 CO -0.11 -0.34 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.30 2yrl s LEU 41 N 2.18 2.17 -0.04 -1.29 2.96 -0.66 -3.84 118.68 120.16 2yrl s LEU 41 Ca -0.01 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 2yrl s LEU 41 Cb -0.12 -0.08 0.03 0.00 0.50 0.00 0.00 46.19 46.52 2yrl s LEU 41 CO -0.09 -0.15 0.04 0.26 -1.32 0.00 0.00 176.35 175.08 2yrl s TRP 42 N -0.99 0.20 -0.07 5.38 0.52 -0.11 -2.02 118.94 121.86 2yrl s TRP 42 Ca -0.08 0.14 -0.17 0.00 0.02 0.00 0.00 56.10 56.01 2yrl s TRP 42 Cb -0.07 -0.52 0.04 0.00 -1.15 0.00 0.00 33.47 31.77 2yrl s TRP 42 CO -0.00 -0.20 0.40 -1.21 0.02 0.00 0.00 176.95 175.95 2yrl s GLU 43 N 1.93 0.66 -0.29 4.98 2.02 -1.19 -4.78 118.70 122.04 2yrl s GLU 43 Ca 0.02 0.13 -0.27 0.00 0.02 0.00 0.00 54.97 54.87 2yrl s GLU 43 Cb -0.12 0.30 0.01 0.00 0.10 0.00 0.00 34.13 34.42 2yrl s GLU 43 CO -0.03 -0.16 0.97 0.21 0.02 0.00 0.00 175.26 176.27 2yrl s LYS 44 N -0.79 4.10 -0.01 1.61 2.20 -1.26 -1.02 119.74 124.57 2yrl s LYS 44 Ca -0.09 1.02 -0.08 0.00 -0.36 0.00 0.00 55.97 56.46 2yrl s LYS 44 Cb -0.04 -3.70 -0.30 0.00 -1.51 0.00 0.00 37.83 32.28 2yrl s LYS 44 CO 0.04 -0.74 0.80 1.79 -0.36 0.00 0.00 175.35 176.87 2yrl h THR 45 N 5.60 1.08 -3.70 3.43 1.35 -0.60 -3.48 112.91 116.59 2yrl h THR 45 Ca -0.21 -2.66 -0.31 0.00 -0.55 0.00 0.00 66.41 62.68 2yrl h THR 45 Cb 1.07 2.81 -0.15 0.00 -1.73 0.00 0.00 68.15 70.15 2yrl h THR 45 CO 0.97 0.84 -0.66 -1.10 -0.25 0.00 0.00 175.52 175.32 2yrl s GLN 46 N -2.60 1.17 0.00 4.72 -0.21 -1.09 -5.00 119.66 116.64 2yrl s GLN 46 Ca -0.12 -1.58 0.00 0.00 0.02 0.00 0.00 55.36 53.68 2yrl s GLN 46 Cb 0.06 -0.32 0.00 0.00 1.00 0.00 0.00 33.01 33.75 2yrl s GLN 46 CO 0.87 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 174.31 2yrl n GLY 47 N -0.29 2.11 3.67 3.09 0.00 -1.24 -2.32 105.19 110.21 2yrl n GLY 47 Ca -0.06 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.13 4.23 0.01 1.61 0.04 -1.26 -4.96 135.00 132.54 2yrl s PRO 48 Ca 0.00 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 2yrl s PRO 48 Cb 0.00 -3.75 -0.07 0.00 0.04 0.00 0.00 34.50 30.72 2yrl s PRO 48 CO 0.00 -0.71 1.63 0.16 0.04 0.00 0.00 177.00 178.13 2yrl s ASP 49 N 2.45 6.65 0.00 6.66 -4.77 -1.26 -4.31 116.67 122.09 2yrl s ASP 49 Ca 0.66 2.35 0.00 0.00 -3.30 0.00 0.00 52.55 52.26 2yrl s ASP 49 Cb -0.31 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 38.97 2yrl s ASP 49 CO 0.26 -0.89 0.00 0.61 0.70 0.00 0.00 175.17 175.85 2yrl n GLY 50 N 4.02 0.76 3.50 2.12 0.00 -1.26 -5.15 105.19 109.18 2yrl n GLY 50 Ca 0.16 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.32 1.61 0.24 -1.26 -4.97 118.33 109.63 2yrl n VAL 51 Ca 0.00 -0.15 -0.32 0.00 -2.04 0.00 0.00 64.34 61.83 2yrl n VAL 51 Cb 0.00 -0.78 -0.16 0.00 -1.47 0.00 0.00 33.84 31.43 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 -4.03 2.83 -0.17 7.34 -0.21 -0.05 -4.94 119.66 120.42 2yrl s GLN 52 Ca 0.61 -0.78 -0.13 0.00 0.02 0.00 0.00 55.36 55.08 2yrl s GLN 52 Cb -0.21 -2.40 -0.05 0.00 1.00 0.00 0.00 33.01 31.35 2yrl s GLN 52 CO 0.64 -0.14 0.27 -0.51 -2.12 0.00 0.00 175.29 173.43 2yrl s LEU 53 N 1.13 4.23 -0.04 2.90 1.43 -1.26 -1.36 118.68 125.72 2yrl s LEU 53 Ca -0.00 0.46 0.04 0.00 -1.03 0.00 0.00 54.13 53.60 2yrl s LEU 53 Cb -0.14 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 2yrl s LEU 53 CO -0.08 0.10 -0.16 -1.61 0.23 0.00 0.00 176.35 174.83 2yrl s GLU 54 N 0.51 2.43 -1.36 1.70 8.01 -0.17 -4.63 118.70 125.19 2yrl s GLU 54 Ca 0.15 -0.74 -0.09 0.00 0.01 0.00 0.00 54.97 54.31 2yrl s GLU 54 Cb -0.13 -2.32 0.02 0.00 -4.31 0.00 0.00 34.13 27.38 2yrl s GLU 54 CO 0.03 0.61 1.15 0.09 0.01 0.00 0.00 175.26 177.16 2yrl n ASN 55 N 2.29 -5.89 0.11 -0.19 3.02 -1.26 -2.03 115.26 111.32 2yrl n ASN 55 Ca -0.17 -0.57 0.09 0.00 -0.03 0.00 0.00 54.58 53.90 2yrl n ASN 55 Cb 0.52 -4.95 0.43 0.00 -0.61 0.00 0.00 39.78 35.17 2yrl n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yrl n ALA 56 N -4.92 1.31 -0.09 5.41 0.00 -1.26 -1.52 120.51 119.44 2yrl n ALA 56 Ca -0.01 0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.57 2yrl n ALA 56 Cb 0.57 -1.28 0.24 0.00 0.00 0.00 0.00 19.45 18.98 2yrl n ALA 56 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2yrl n ASN 57 N -2.04 3.76 -4.29 0.00 5.03 -1.26 -0.93 115.26 115.53 2yrl n ASN 57 Ca 0.01 -2.53 -0.16 0.00 0.87 0.00 0.00 54.58 52.76 2yrl n ASN 57 Cb 0.11 -0.60 -0.10 0.00 -1.02 0.00 0.00 39.78 38.17 2yrl n ASN 57 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2yrl s SER 58 N -0.47 2.16 0.56 6.41 0.01 -0.58 -4.64 113.70 117.14 2yrl s SER 58 Ca 0.32 -1.01 0.27 0.00 1.31 0.00 0.00 55.95 56.84 2yrl s SER 58 Cb 0.24 -0.07 1.47 0.00 0.21 0.00 0.00 66.02 67.87 2yrl s SER 58 CO 0.10 -0.25 1.97 -1.28 0.41 0.00 0.00 173.24 174.19 2yrl h SER 59 N 2.69 0.00 -3.59 2.44 0.87 -1.87 -3.39 113.55 110.69 2yrl h SER 59 Ca -0.37 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.55 2yrl h SER 59 Cb 1.20 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.84 2yrl h SER 59 CO 0.63 0.00 -0.87 0.54 -0.53 0.00 0.00 176.83 176.60 2yrl s VAL 60 N -4.85 1.83 0.23 2.23 0.11 -1.26 -0.04 120.40 118.65 2yrl s VAL 60 Ca -0.05 -0.91 0.11 0.00 -2.93 0.00 0.00 61.98 58.20 2yrl s VAL 60 Cb 0.18 -1.58 -0.05 0.00 -1.53 0.00 0.00 36.38 33.40 2yrl s VAL 60 CO 0.66 0.51 -0.20 0.00 -3.33 0.00 0.00 175.10 172.75 2yrl s ALA 61 N 0.23 2.49 -0.19 1.54 0.00 -1.10 -4.75 121.76 119.98 2yrl s ALA 61 Ca -0.13 -1.74 0.01 0.00 0.00 0.00 0.00 51.96 50.11 2yrl s ALA 61 Cb -0.16 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.75 2yrl s ALA 61 CO 0.06 0.28 -0.17 0.99 0.00 0.00 0.00 175.76 176.91 2yrl s THR 62 N -2.33 2.02 -0.25 0.00 2.01 -0.86 -0.95 115.64 115.28 2yrl s THR 62 Ca 0.25 -1.05 -0.09 0.00 0.31 0.00 0.00 61.69 61.11 2yrl s THR 62 Cb -0.05 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 2yrl s THR 62 CO 0.11 0.41 0.13 -0.69 -0.69 0.00 0.00 174.62 173.90 2yrl s VAL 63 N 1.28 4.96 0.22 3.82 1.01 -0.24 -1.00 120.40 130.45 2yrl s VAL 63 Ca 0.02 0.05 0.11 0.00 0.00 0.00 0.00 61.98 62.16 2yrl s VAL 63 Cb -0.14 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2yrl s VAL 63 CO -0.11 0.32 -0.17 0.42 0.00 0.00 0.00 175.10 175.55 2yrl s THR 64 N 1.43 2.70 -0.03 3.92 -4.23 -0.46 -2.19 115.64 116.79 2yrl s THR 64 Ca 0.06 -2.01 -0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2yrl s THR 64 Cb -0.15 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.34 2yrl s THR 64 CO 0.06 -0.20 0.02 0.61 -0.54 0.00 0.00 174.62 174.57 2yrl n GLY 65 N -0.11 0.89 3.85 3.99 0.00 -0.98 -0.87 105.19 111.96 2yrl n GLY 65 Ca -0.10 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.07 4.13 0.15 0.99 1.43 -0.88 -4.18 118.68 119.24 2yrl s LEU 66 Ca 0.01 1.24 -0.02 0.00 -1.03 0.00 0.00 54.13 54.33 2yrl s LEU 66 Cb -0.01 -3.92 -0.04 0.00 0.03 0.00 0.00 46.19 42.26 2yrl s LEU 66 CO 0.01 -0.14 0.10 0.00 0.23 0.00 0.00 176.35 176.56 2yrl s GLN 67 N -2.77 1.02 -0.56 1.70 1.03 -1.26 -4.66 119.66 114.15 2yrl s GLN 67 Ca 0.51 -1.45 -0.38 0.00 0.04 0.00 0.00 55.36 54.08 2yrl s GLN 67 Cb -0.11 0.27 -0.17 0.00 0.03 0.00 0.00 33.01 33.02 2yrl s GLN 67 CO 0.18 -0.31 2.29 0.28 -2.54 0.00 0.00 175.29 175.19 2yrl n VAL 68 N -0.15 0.05 -2.04 3.63 0.31 -1.26 -4.70 118.33 114.17 2yrl n VAL 68 Ca -0.04 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2yrl n VAL 68 Cb 0.64 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 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 6.96 -1.57 3.32 2.92 0.00 -1.25 -5.00 105.19 110.57 2yrl n GLY 69 Ca 0.53 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.59 3.47 -0.19 2.61 2.01 -1.26 -2.90 115.64 116.78 2yrl s THR 70 Ca 0.00 -0.48 -0.02 0.00 0.31 0.00 0.00 61.69 61.49 2yrl s THR 70 Cb 0.00 -2.60 -0.00 0.00 0.01 0.00 0.00 72.50 69.91 2yrl s THR 70 CO 0.00 0.40 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.92 2yrl s TYR 71 N 1.49 2.89 -0.42 4.92 2.02 -0.90 -3.69 117.35 123.66 2yrl s TYR 71 Ca 0.06 -1.03 -0.04 0.00 -0.37 0.00 0.00 57.07 55.69 2yrl s TYR 71 Cb -0.14 -2.02 0.11 0.00 -0.40 0.00 0.00 41.96 39.51 2yrl s TYR 71 CO -0.02 -0.54 0.22 0.08 -1.57 0.00 0.00 175.55 173.72 2yrl s VAL 72 N 1.22 3.40 -0.25 0.71 1.01 -0.98 -1.38 120.40 124.13 2yrl s VAL 72 Ca 0.02 -2.04 -0.13 0.00 0.00 0.00 0.00 61.98 59.83 2yrl s VAL 72 Cb -0.14 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2yrl s VAL 72 CO -0.04 -0.71 0.30 -0.36 0.00 0.00 0.00 175.10 174.29 2yrl s PHE 73 N 1.15 3.28 -0.27 5.22 0.08 -1.20 0.21 117.98 126.46 2yrl s PHE 73 Ca 0.08 0.36 -0.10 0.00 0.12 0.00 0.00 56.93 57.39 2yrl s PHE 73 Cb -0.23 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 39.72 2yrl s PHE 73 CO -0.04 -0.11 0.15 0.99 -0.10 0.00 0.00 175.22 176.12 2yrl s THR 74 N 1.63 5.01 -0.45 0.64 2.01 -0.19 -2.11 115.64 122.18 2yrl s THR 74 Ca 0.13 0.07 -0.20 0.00 0.31 0.00 0.00 61.69 61.99 2yrl s THR 74 Cb -0.15 -3.37 0.03 0.00 0.01 0.00 0.00 72.50 69.02 2yrl s THR 74 CO 0.09 0.29 0.60 -0.22 -0.69 0.00 0.00 174.62 174.68 2yrl s LEU 75 N 1.64 4.64 -0.38 4.42 2.96 0.20 -3.16 118.68 128.99 2yrl s LEU 75 Ca 0.07 -0.49 -0.19 0.00 -0.22 0.00 0.00 54.13 53.29 2yrl s LEU 75 Cb -0.15 -2.61 0.01 0.00 0.50 0.00 0.00 46.19 43.93 2yrl s LEU 75 CO 0.08 -0.76 0.57 -0.89 -1.32 0.00 0.00 176.35 174.04 2yrl s THR 76 N 2.66 4.94 0.25 3.68 2.01 -0.86 -2.07 115.64 126.25 2yrl s THR 76 Ca 0.19 0.30 0.10 0.00 0.31 0.00 0.00 61.69 62.59 2yrl s THR 76 Cb -0.15 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 2yrl s THR 76 CO 0.17 -0.35 -0.18 0.68 -0.69 0.00 0.00 174.62 174.24 2yrl s VAL 77 N 2.57 2.22 0.01 3.82 -7.23 -1.00 -1.65 120.40 119.14 2yrl s VAL 77 Ca 0.21 -2.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 2yrl s VAL 77 Cb -0.15 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 2yrl s VAL 77 CO 0.15 -0.46 -0.02 -0.54 -0.31 0.00 0.00 175.10 173.92 2yrl s LYS 78 N -3.53 0.19 0.41 4.82 1.02 -1.24 -2.87 119.74 118.53 2yrl s LYS 78 Ca 0.27 -0.24 0.04 0.00 0.02 0.00 0.00 55.97 56.06 2yrl s LYS 78 Cb -0.04 -0.06 0.07 0.00 -0.52 0.00 0.00 37.83 37.28 2yrl s LYS 78 CO 0.12 0.01 0.56 -3.47 -0.92 0.00 0.00 175.35 171.65 2yrl n ASP 79 N 2.57 1.17 0.08 2.83 2.03 -1.19 -2.26 116.55 121.78 2yrl n ASP 79 Ca -0.16 -1.89 0.06 0.00 0.52 0.00 0.00 54.79 53.32 2yrl n ASP 79 Cb 0.58 -0.32 0.50 0.00 -0.72 0.00 0.00 41.12 41.15 2yrl n ASP 79 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2yrl h GLU 80 N 0.00 0.36 -0.91 -0.67 4.81 -1.92 -0.27 114.58 115.98 2yrl h GLU 80 Ca -0.19 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 2yrl h GLU 80 Cb 0.79 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2yrl h GLU 80 CO 0.24 0.24 0.02 0.54 -0.73 0.00 0.00 179.01 179.32 2yrl n ARG 81 N -4.49 1.91 -2.30 1.92 1.74 -1.26 -4.83 116.66 109.34 2yrl n ARG 81 Ca 0.02 -0.79 -0.15 0.00 -0.77 0.00 0.00 57.85 56.16 2yrl n ARG 81 Cb 0.09 -1.65 -0.01 0.00 -1.02 0.00 0.00 32.46 29.86 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 0.15 -4.39 -4.70 0.55 3.02 -0.11 -4.88 115.26 104.90 2yrl n ASN 82 Ca 0.08 0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 54.37 2yrl n ASN 82 Cb 0.52 -3.74 -0.03 0.00 -0.61 0.00 0.00 39.78 35.92 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 -5.50 4.35 -0.33 3.41 1.43 -1.25 -4.80 118.68 115.99 2yrl s LEU 83 Ca 0.00 2.32 -0.19 0.00 -1.03 0.00 0.00 54.13 55.23 2yrl s LEU 83 Cb 0.00 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 2yrl s LEU 83 CO 0.00 -0.75 0.57 -1.58 0.23 0.00 0.00 176.35 174.82 2yrl s GLN 84 N 1.92 3.76 -0.21 1.70 0.74 -1.26 -3.14 119.66 123.17 2yrl s GLN 84 Ca 0.67 0.06 -0.08 0.00 0.05 0.00 0.00 55.36 56.07 2yrl s GLN 84 Cb -0.36 -3.77 0.09 0.00 1.10 0.00 0.00 33.01 30.07 2yrl s GLN 84 CO 0.30 -0.60 0.45 -1.12 -0.55 0.00 0.00 175.29 173.77 2yrl s SER 85 N 1.71 -0.41 0.12 6.67 0.01 -1.14 -5.07 113.70 115.59 2yrl s SER 85 Ca 0.22 1.07 0.07 0.00 1.31 0.00 0.00 55.95 58.62 2yrl s SER 85 Cb -0.15 1.44 -0.04 0.00 0.21 0.00 0.00 66.02 67.48 2yrl s SER 85 CO 0.13 -0.23 -0.16 0.00 0.41 0.00 0.00 173.24 173.39 2yrl s GLN 86 N 2.54 1.07 -0.02 12.44 -2.07 -1.26 -2.36 119.66 130.00 2yrl s GLN 86 Ca -0.03 -1.22 0.03 0.00 -1.82 0.00 0.00 55.36 52.32 2yrl s GLN 86 Cb -0.12 -1.08 -0.00 0.00 -1.09 0.00 0.00 33.01 30.72 2yrl s GLN 86 CO -0.14 0.22 -0.10 0.45 -1.32 0.00 0.00 175.29 174.41 2yrl s SER 87 N -2.29 1.27 0.27 12.60 0.15 -0.88 -4.89 113.70 119.93 2yrl s SER 87 Ca 0.08 -0.20 0.05 0.00 0.70 0.00 0.00 55.95 56.59 2yrl s SER 87 Cb -0.07 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 63.97 2yrl s SER 87 CO 0.04 0.10 0.40 -0.94 1.20 0.00 0.00 173.24 174.04 2yrl s SER 88 N -0.03 6.21 -0.03 5.45 1.04 -1.26 -0.63 113.70 124.46 2yrl s SER 88 Ca 0.00 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2yrl s SER 88 Cb -0.06 -1.68 0.03 0.00 0.10 0.00 0.00 66.02 64.40 2yrl s SER 88 CO 0.00 -0.19 0.01 0.54 0.98 0.00 0.00 173.24 174.58 2yrl s VAL 89 N -2.05 0.12 -0.53 5.02 0.11 -0.90 -4.83 120.40 117.34 2yrl s VAL 89 Ca 0.38 0.11 -0.25 0.00 -2.93 0.00 0.00 61.98 59.29 2yrl s VAL 89 Cb -0.09 -0.22 0.04 0.00 -1.53 0.00 0.00 36.38 34.58 2yrl s VAL 89 CO 0.30 0.13 0.94 0.20 -3.33 0.00 0.00 175.10 173.34 2yrl s ASN 90 N 0.97 6.39 -0.47 3.54 0.01 -1.26 -3.22 114.94 120.89 2yrl s ASN 90 Ca -0.09 -0.20 -0.13 0.00 -0.71 0.00 0.00 52.86 51.73 2yrl s ASN 90 Cb -0.13 -2.44 0.10 0.00 0.41 0.00 0.00 41.25 39.19 2yrl s ASN 90 CO -0.02 -1.18 0.37 -0.69 -1.51 0.00 0.00 177.10 174.07 2yrl s VAL 91 N 3.93 4.74 -0.17 1.60 1.01 -0.48 -0.36 120.40 130.66 2yrl s VAL 91 Ca 0.33 -1.41 -0.14 0.00 0.00 0.00 0.00 61.98 60.75 2yrl s VAL 91 Cb -0.12 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2yrl s VAL 91 CO 0.22 -0.67 0.32 -0.63 0.00 0.00 0.00 175.10 174.33 2yrl s ILE 92 N 1.51 5.28 -0.16 2.22 1.01 0.88 -2.12 121.20 129.82 2yrl s ILE 92 Ca 0.04 0.59 -0.02 0.00 0.00 0.00 0.00 60.65 61.25 2yrl s ILE 92 Cb -0.26 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 2yrl s ILE 92 CO 0.03 0.36 -0.08 -0.69 0.00 0.00 0.00 174.94 174.56 2yrl s VAL 93 N 0.66 3.44 0.43 2.92 1.01 -1.14 -0.42 120.40 127.30 2yrl s VAL 93 Ca 0.17 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.71 2yrl s VAL 93 Cb -0.13 -2.50 -0.06 0.00 0.00 0.00 0.00 36.38 33.69 2yrl s VAL 93 CO 0.05 0.49 0.07 -0.54 0.00 0.00 0.00 175.10 175.17 2yrl s LYS 94 N 0.60 2.07 0.54 2.72 1.02 0.44 -3.74 119.74 123.39 2yrl s LYS 94 Ca -0.05 -2.06 -0.02 0.00 0.02 0.00 0.00 55.97 53.86 2yrl s LYS 94 Cb -0.15 -1.74 0.01 0.00 -0.52 0.00 0.00 37.83 35.43 2yrl s LYS 94 CO 0.03 -0.12 0.80 -1.21 -0.92 0.00 0.00 175.35 173.93 2yrl s GLU 95 N -3.80 2.84 0.53 1.68 0.41 -1.26 -0.02 118.70 119.07 2yrl s GLU 95 Ca 0.34 -0.35 -0.22 0.00 -0.41 0.00 0.00 54.97 54.33 2yrl s GLU 95 Cb 0.07 -2.41 -0.06 0.00 -1.78 0.00 0.00 34.13 29.95 2yrl s GLU 95 CO 0.18 -0.59 1.23 -1.91 -0.49 0.00 0.00 175.26 173.67 2yrl n GLU 96 N -2.39 1.51 -3.69 1.61 2.13 -1.24 -4.47 120.64 114.10 2yrl n GLU 96 Ca 0.04 0.56 -0.18 0.00 0.66 0.00 0.00 57.16 58.24 2yrl n GLU 96 Cb 0.58 -2.41 -0.17 0.00 0.27 0.00 0.00 31.44 29.71 2yrl n GLU 96 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2yrl s SER 97 N -0.92 0.81 0.00 4.31 0.15 -1.26 -5.04 113.70 111.74 2yrl s SER 97 Ca 0.70 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.47 2yrl s SER 97 Cb -0.44 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 2yrl s SER 97 CO 0.51 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.34 2yrl n GLY 98 N 5.02 2.91 0.19 9.45 0.00 -1.26 -4.83 105.19 116.67 2yrl n GLY 98 Ca -0.10 -1.76 0.14 0.00 0.00 0.00 0.00 46.02 44.31 2yrl n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yrl h PRO 99 N 0.00 0.00 -3.04 1.61 0.13 -2.07 -3.44 132.00 125.20 2yrl h PRO 99 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 2yrl h PRO 99 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 2yrl h PRO 99 CO 0.00 0.00 -0.31 0.45 -0.23 0.00 0.00 178.00 177.91 2yrl s SER 100 N -4.78 -0.22 -0.12 1.44 0.15 -1.26 -5.16 113.70 103.75 2yrl s SER 100 Ca 0.03 0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.87 2yrl s SER 100 Cb 0.09 0.42 0.05 0.00 -1.71 0.00 0.00 66.02 64.87 2yrl s SER 100 CO 0.44 -0.34 0.27 -0.55 1.20 0.00 0.00 173.24 174.26 2yrl s SER 101 N -0.86 -0.12 0.00 5.45 0.15 -1.26 -5.03 113.70 112.02 2yrl s SER 101 Ca -0.09 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.13 2yrl s SER 101 Cb -0.04 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2yrl s SER 101 CO 0.03 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.89