#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwt s SER 2 N 0.00 6.72 0.00 1.61 0.01 -1.26 -4.93 113.70 115.85 1wwt s SER 2 Ca 0.00 0.87 -0.05 0.00 1.31 0.00 0.00 55.95 58.08 1wwt s SER 2 Cb 0.00 -2.33 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 1wwt s SER 2 CO 0.00 -0.13 -0.10 -1.20 0.41 0.00 0.00 173.24 172.22 1wwt n SER 3 N 4.28 1.20 0.00 2.44 7.64 -1.26 -5.13 113.62 122.80 1wwt n SER 3 Ca -0.04 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1wwt n SER 3 Cb 0.51 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1wwt n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwt n GLY 4 N 2.86 1.71 2.20 0.23 0.00 -1.26 -5.11 105.19 105.81 1wwt n GLY 4 Ca -0.06 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1wwt n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wwt n SER 5 N 0.00 -3.58 -4.20 1.61 2.88 -1.26 -5.14 113.62 103.93 1wwt n SER 5 Ca 0.00 0.84 -0.17 0.00 -1.33 0.00 0.00 58.87 58.21 1wwt n SER 5 Cb 0.00 3.36 -0.11 0.00 -0.75 0.00 0.00 64.21 66.71 1wwt n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wwt s SER 6 N -2.49 1.71 0.00 -3.46 1.04 -1.26 -5.13 113.70 104.11 1wwt s SER 6 Ca 0.00 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1wwt s SER 6 Cb 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1wwt s SER 6 CO 0.00 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1wwt n GLY 7 N 0.72 1.43 3.18 7.32 0.00 -1.26 -5.09 105.19 111.49 1wwt n GLY 7 Ca -0.17 0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 1wwt n GLY 7 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wwt n ASP 8 N 0.00 -4.36 -3.78 1.61 5.68 -1.26 -4.91 116.55 109.53 1wwt n ASP 8 Ca 0.00 0.25 -0.30 0.00 -0.50 0.00 0.00 54.79 54.24 1wwt n ASP 8 Cb 0.00 -0.95 0.28 0.00 -1.14 0.00 0.00 41.12 39.31 1wwt n ASP 8 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1wwt s SER 9 N -1.43 -0.40 0.03 -1.12 1.04 -1.26 -5.02 113.70 105.54 1wwt s SER 9 Ca 0.47 1.04 -0.27 0.00 0.48 0.00 0.00 55.95 57.67 1wwt s SER 9 Cb -0.20 -1.53 0.09 0.00 0.10 0.00 0.00 66.02 64.49 1wwt s SER 9 CO 0.76 -4.98 0.80 -1.59 0.98 0.00 0.00 173.24 169.21 1wwt s LYS 10 N -4.90 0.96 -0.43 4.02 -2.85 -1.25 -4.92 119.74 110.36 1wwt s LYS 10 Ca 0.69 -0.29 -0.29 0.00 -1.00 0.00 0.00 55.97 55.08 1wwt s LYS 10 Cb -0.17 0.44 0.01 0.00 -2.06 0.00 0.00 37.83 36.05 1wwt s LYS 10 CO 0.60 -0.41 1.43 -1.25 0.10 0.00 0.00 175.35 175.82 1wwt s PRO 11 N -3.05 3.52 0.20 1.78 0.04 -1.26 0.13 135.00 136.35 1wwt s PRO 11 Ca 0.02 0.88 0.06 0.00 0.04 0.00 0.00 61.00 62.00 1wwt s PRO 11 Cb -0.01 -4.05 -0.04 0.00 0.04 0.00 0.00 34.50 30.45 1wwt s PRO 11 CO -0.08 -1.64 0.16 0.96 0.04 0.00 0.00 177.00 176.44 1wwt s ILE 12 N 5.60 4.50 -0.10 0.56 -4.36 0.51 -4.92 121.20 122.99 1wwt s ILE 12 Ca 0.61 -1.19 -0.01 0.00 -0.26 0.00 0.00 60.65 59.80 1wwt s ILE 12 Cb -0.13 -3.35 -0.03 0.00 1.25 0.00 0.00 42.46 40.20 1wwt s ILE 12 CO 0.32 -0.20 -0.06 -0.75 0.24 0.00 0.00 174.94 174.49 1wwt s LYS 13 N -3.38 3.07 -0.14 0.37 2.36 -1.26 0.20 119.74 120.96 1wwt s LYS 13 Ca 0.32 -0.55 -0.01 0.00 -2.55 0.00 0.00 55.97 53.18 1wwt s LYS 13 Cb -0.09 -2.69 0.04 0.00 -1.05 0.00 0.00 37.83 34.04 1wwt s LYS 13 CO 0.24 0.51 -0.04 0.08 1.55 0.00 0.00 175.35 177.70 1wwt s VAL 14 N -0.39 0.86 -0.18 4.02 1.01 -0.67 -2.08 120.40 122.97 1wwt s VAL 14 Ca 0.06 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 1wwt s VAL 14 Cb -0.12 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1wwt s VAL 14 CO 0.02 0.17 0.55 -0.89 0.00 0.00 0.00 175.10 174.95 1wwt s THR 15 N 1.75 5.09 0.92 3.92 2.01 -1.22 -0.26 115.64 127.86 1wwt s THR 15 Ca 0.02 1.03 -0.10 0.00 0.31 0.00 0.00 61.69 62.96 1wwt s THR 15 Cb -0.14 -3.87 0.15 0.00 0.01 0.00 0.00 72.50 68.65 1wwt s THR 15 CO -0.07 0.18 1.15 -0.76 -0.69 0.00 0.00 174.62 174.43 1wwt s LEU 16 N 1.53 2.82 0.00 4.42 1.43 0.26 -1.84 118.68 127.31 1wwt s LEU 16 Ca 0.26 2.20 0.21 0.00 -1.03 0.00 0.00 54.13 55.77 1wwt s LEU 16 Cb -0.16 -4.56 1.24 0.00 0.03 0.00 0.00 46.19 42.74 1wwt s LEU 16 CO 0.10 -3.16 1.66 -0.81 0.23 0.00 0.00 176.35 174.37 1wwt n PRO 17 N -4.27 0.75 -0.00 1.29 -0.04 -1.02 -1.85 135.00 129.86 1wwt n PRO 17 Ca 0.12 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 1wwt n PRO 17 Cb 0.52 -1.43 -0.11 0.00 -0.04 0.00 0.00 33.50 32.44 1wwt n PRO 17 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wwt n ASP 18 N -0.93 0.83 0.00 3.54 2.03 -1.26 -4.98 116.55 115.78 1wwt n ASP 18 Ca 0.16 -0.77 0.00 0.00 0.52 0.00 0.00 54.79 54.69 1wwt n ASP 18 Cb 0.07 1.13 0.00 0.00 -0.72 0.00 0.00 41.12 41.61 1wwt n ASP 18 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wwt n GLY 19 N 1.43 1.33 3.42 0.27 0.00 -0.77 -5.09 105.19 105.77 1wwt n GLY 19 Ca 0.02 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1wwt n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wwt n LYS 20 N 0.00 -1.13 -4.40 1.61 5.02 -1.26 -4.57 118.16 113.43 1wwt n LYS 20 Ca 0.00 -0.30 -0.25 0.00 -2.02 0.00 0.00 58.31 55.74 1wwt n LYS 20 Cb 0.00 -1.94 -0.12 0.00 -0.02 0.00 0.00 35.03 32.96 1wwt n LYS 20 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wwt s GLN 21 N -3.86 1.45 0.08 1.97 -0.21 -1.26 0.92 119.66 118.76 1wwt s GLN 21 Ca 0.60 -1.50 -0.05 0.00 0.02 0.00 0.00 55.36 54.44 1wwt s GLN 21 Cb -0.19 -1.70 -0.02 0.00 1.00 0.00 0.00 33.01 32.09 1wwt s GLN 21 CO 0.65 0.36 0.09 0.08 -2.12 0.00 0.00 175.29 174.36 1wwt s VAL 22 N -1.78 0.16 -0.16 1.09 1.01 0.65 -4.85 120.40 116.52 1wwt s VAL 22 Ca 0.19 -1.55 -0.07 0.00 0.00 0.00 0.00 61.98 60.56 1wwt s VAL 22 Cb -0.07 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1wwt s VAL 22 CO 0.09 -0.75 0.07 1.51 0.00 0.00 0.00 175.10 176.02 1wwt s ASP 23 N -2.92 5.72 0.24 3.32 -4.77 -1.26 -1.66 116.67 115.34 1wwt s ASP 23 Ca 0.09 0.16 0.01 0.00 -3.30 0.00 0.00 52.55 49.51 1wwt s ASP 23 Cb 0.06 -1.91 -0.04 0.00 -1.09 0.00 0.00 42.92 39.94 1wwt s ASP 23 CO -0.08 0.24 0.13 0.00 0.70 0.00 0.00 175.17 176.16 1wwt s ALA 24 N -0.05 1.49 -0.04 2.11 0.00 0.13 -4.91 121.76 120.49 1wwt s ALA 24 Ca 0.07 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.26 1wwt s ALA 24 Cb -0.12 1.25 0.02 0.00 0.00 0.00 0.00 23.12 24.27 1wwt s ALA 24 CO 0.01 -0.54 -0.05 -1.21 0.00 0.00 0.00 175.76 173.96 1wwt s GLU 25 N -4.04 0.83 0.27 0.00 2.02 -1.26 0.19 118.70 116.72 1wwt s GLU 25 Ca 0.38 -0.15 -0.31 0.00 0.02 0.00 0.00 54.97 54.92 1wwt s GLU 25 Cb 0.07 -0.81 -0.12 0.00 0.10 0.00 0.00 34.13 33.36 1wwt s GLU 25 CO 0.14 -0.03 1.51 -1.13 0.02 0.00 0.00 175.26 175.77 1wwt n SER 26 N 3.82 3.33 -4.00 -0.19 3.41 0.12 -1.00 113.62 119.11 1wwt n SER 26 Ca -0.23 1.14 -0.32 0.00 -0.26 0.00 0.00 58.87 59.20 1wwt n SER 26 Cb 0.52 -1.51 0.01 0.00 -0.26 0.00 0.00 64.21 62.96 1wwt n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1wwt n TRP 27 N 2.05 -2.12 0.00 7.33 7.02 -1.18 -3.93 117.44 126.61 1wwt n TRP 27 Ca 0.10 0.87 0.00 0.00 -1.02 0.00 0.00 57.50 57.45 1wwt n TRP 27 Cb 0.34 -3.68 0.00 0.00 -2.42 0.00 0.00 31.31 25.55 1wwt n TRP 27 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1wwt n LYS 28 N -4.58 0.00 -3.51 -0.99 4.76 -0.17 -4.92 118.16 108.74 1wwt n LYS 28 Ca 0.04 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.19 1wwt n LYS 28 Cb 0.52 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.68 1wwt n LYS 28 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1wwt s THR 29 N -0.54 5.10 0.50 -0.18 2.01 -0.35 -4.89 115.64 117.29 1wwt s THR 29 Ca 0.00 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 61.93 1wwt s THR 29 Cb 0.00 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 1wwt s THR 29 CO 0.00 -0.21 0.03 0.42 -0.69 0.00 0.00 174.62 174.17 1wwt s THR 30 N -1.94 0.90 0.21 -0.82 -4.23 -1.26 -2.54 115.64 105.96 1wwt s THR 30 Ca 0.42 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.01 1wwt s THR 30 Cb -0.11 -2.08 -0.10 0.00 1.34 0.00 0.00 72.50 71.55 1wwt s THR 30 CO 0.29 0.00 1.49 1.55 -0.54 0.00 0.00 174.62 177.40 1wwt h PRO 31 N 1.38 0.03 -0.17 3.99 0.13 -1.77 -2.13 132.00 133.47 1wwt h PRO 31 Ca -0.42 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 1wwt h PRO 31 Cb 1.32 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1wwt h PRO 31 CO 0.69 0.77 0.00 -0.92 -0.23 0.00 0.00 178.00 178.31 1wwt h TYR 32 N 0.02 0.32 0.00 1.56 3.20 -1.89 -2.14 116.97 118.03 1wwt h TYR 32 Ca -0.01 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.73 1wwt h TYR 32 Cb 1.34 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 1wwt h TYR 32 CO 0.00 0.50 -0.34 1.96 -1.64 0.00 0.00 178.16 178.65 1wwt h GLN 33 N 0.04 0.00 0.84 1.82 4.20 -1.85 -2.90 115.11 117.27 1wwt h GLN 33 Ca 0.05 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1wwt h GLN 33 Cb 0.37 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.16 1wwt h GLN 33 CO 0.01 0.34 -0.40 0.82 -0.67 0.00 0.00 178.83 178.92 1wwt h ILE 34 N 0.00 0.00 -0.14 2.54 2.04 -1.13 -1.85 117.51 118.97 1wwt h ILE 34 Ca -0.00 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.73 1wwt h ILE 34 Cb 0.84 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 1wwt h ILE 34 CO 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 178.15 177.72 1wwt h ALA 35 N -1.31 -0.70 -0.98 1.87 0.00 -1.40 0.29 119.26 117.03 1wwt h ALA 35 Ca -0.12 -0.02 0.33 0.00 0.00 0.00 0.00 54.91 55.10 1wwt h ALA 35 Cb 0.87 0.88 -0.17 0.00 0.00 0.00 0.00 17.79 19.37 1wwt h ALA 35 CO 0.19 -0.99 0.36 0.00 0.00 0.00 0.00 179.25 178.81 1wwt h GLY 37 N 0.10 -0.80 0.00 0.00 0.00 0.46 -2.68 103.07 100.16 1wwt h GLY 37 Ca 0.71 0.70 0.00 0.00 0.00 0.00 0.00 47.33 48.74 1wwt h GLY 37 CO -0.76 -0.08 0.00 1.39 0.00 0.00 0.00 176.54 177.09 1wwt n ILE 38 N -5.35 0.00 -3.68 2.60 -0.00 0.11 -4.76 119.36 108.27 1wwt n ILE 38 Ca -0.00 1.22 -0.11 0.00 -0.00 0.00 0.00 62.75 63.86 1wwt n ILE 38 Cb 0.32 -1.82 -0.09 0.00 -0.00 0.00 0.00 39.64 38.05 1wwt n ILE 38 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1wwt s SER 39 N -2.79 -0.62 -0.23 4.38 0.15 -1.01 -5.11 113.70 108.47 1wwt s SER 39 Ca 0.00 1.08 -0.32 0.00 0.70 0.00 0.00 55.95 57.40 1wwt s SER 39 Cb 0.00 1.00 -0.09 0.00 -1.71 0.00 0.00 66.02 65.21 1wwt s SER 39 CO 0.00 -0.20 2.11 0.00 1.20 0.00 0.00 173.24 176.35 1wwt n GLN 40 N 3.81 1.71 0.00 5.44 6.02 -1.23 -2.74 117.38 130.39 1wwt n GLN 40 Ca -0.19 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 1wwt n GLN 40 Cb 0.56 -2.78 0.00 0.00 1.02 0.00 0.00 30.24 29.04 1wwt n GLN 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wwt n GLY 41 N 5.65 2.89 0.22 1.08 0.00 -1.26 -4.97 105.19 108.80 1wwt n GLY 41 Ca 0.32 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 1wwt n GLY 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wwt h LEU 42 N 0.00 -0.57 -0.35 0.99 6.46 -1.84 -0.33 115.31 119.67 1wwt h LEU 42 Ca 0.00 0.14 0.07 0.00 -0.12 0.00 0.00 57.88 57.96 1wwt h LEU 42 Cb 0.00 0.32 -0.06 0.00 -0.73 0.00 0.00 40.66 40.18 1wwt h LEU 42 CO 0.00 -0.20 -0.04 0.00 -0.62 0.00 0.00 178.44 177.57 1wwt h ALA 43 N 1.16 0.27 -0.62 1.25 0.00 -1.84 -1.53 119.26 117.96 1wwt h ALA 43 Ca 0.18 0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.32 1wwt h ALA 43 Cb 0.38 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.27 1wwt h ALA 43 CO -0.43 -0.43 -0.30 0.22 0.00 0.00 0.00 179.25 178.31 1wwt h ASP 44 N 0.05 -1.05 -2.43 0.00 3.58 -1.48 -2.74 116.42 112.34 1wwt h ASP 44 Ca 0.17 0.22 -0.75 0.00 0.42 0.00 0.00 57.03 57.10 1wwt h ASP 44 Cb 0.25 0.55 -0.20 0.00 1.72 0.00 0.00 39.33 41.65 1wwt h ASP 44 CO -0.32 -0.29 1.18 0.20 -2.88 0.00 0.00 179.24 177.13 1wwt s ASN 45 N -5.18 7.11 -0.13 2.28 -0.87 -0.58 -4.92 114.94 112.65 1wwt s ASN 45 Ca -0.14 -3.09 -0.06 0.00 -1.57 0.00 0.00 52.86 47.99 1wwt s ASN 45 Cb 0.17 -2.37 0.06 0.00 -0.02 0.00 0.00 41.25 39.09 1wwt s ASN 45 CO 0.70 -0.67 0.30 -0.89 -2.57 0.00 0.00 177.10 173.98 1wwt s THR 46 N 1.08 -0.18 0.00 1.60 2.01 -1.04 -4.85 115.64 114.27 1wwt s THR 46 Ca 0.40 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1wwt s THR 46 Cb -0.04 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 71.99 1wwt s THR 46 CO -0.02 0.07 0.00 0.52 -0.69 0.00 0.00 174.62 174.50 1wwt n VAL 47 N 4.60 0.00 -3.82 3.82 0.31 -0.47 -5.01 118.33 117.77 1wwt n VAL 47 Ca -0.19 0.34 -0.13 0.00 -0.01 0.00 0.00 64.34 64.35 1wwt n VAL 47 Cb 0.52 -1.13 -0.14 0.00 -0.91 0.00 0.00 33.84 32.19 1wwt n VAL 47 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1wwt s ILE 48 N -0.68 -0.02 -0.10 2.52 -1.09 -1.24 -4.92 121.20 115.68 1wwt s ILE 48 Ca 0.00 0.06 -0.10 0.00 -2.23 0.00 0.00 60.65 58.38 1wwt s ILE 48 Cb 0.00 -0.12 -0.05 0.00 -1.58 0.00 0.00 42.46 40.71 1wwt s ILE 48 CO 0.00 0.02 0.23 0.00 -1.23 0.00 0.00 174.94 173.96 1wwt s ALA 49 N 0.36 3.77 -0.11 9.38 0.00 -1.12 0.19 121.76 134.23 1wwt s ALA 49 Ca -0.03 -0.51 -0.09 0.00 0.00 0.00 0.00 51.96 51.33 1wwt s ALA 49 Cb -0.04 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 1wwt s ALA 49 CO -0.01 0.46 0.18 0.15 0.00 0.00 0.00 175.76 176.54 1wwt s LYS 50 N -0.69 3.62 -0.36 0.00 1.02 0.13 0.18 119.74 123.64 1wwt s LYS 50 Ca 0.17 -0.05 0.03 0.00 0.02 0.00 0.00 55.97 56.13 1wwt s LYS 50 Cb -0.13 -3.23 0.11 0.00 -0.52 0.00 0.00 37.83 34.06 1wwt s LYS 50 CO 0.06 0.70 0.10 0.08 -0.92 0.00 0.00 175.35 175.37 1wwt s VAL 51 N -0.83 1.87 0.00 3.17 1.01 0.41 -2.24 120.40 123.79 1wwt s VAL 51 Ca 0.16 -2.23 0.00 0.00 0.00 0.00 0.00 61.98 59.90 1wwt s VAL 51 Cb -0.13 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1wwt s VAL 51 CO 0.05 -0.67 0.00 -3.20 0.00 0.00 0.00 175.10 171.28 1wwt n ASN 52 N 4.21 -1.09 -0.31 3.32 2.85 -0.76 -3.09 115.26 120.38 1wwt n ASN 52 Ca 0.03 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.46 1wwt n ASN 52 Cb 0.40 -0.50 -0.02 0.00 1.24 0.00 0.00 39.78 40.91 1wwt n ASN 52 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1wwt n ASN 53 N 1.94 -3.34 -3.96 1.20 5.15 -1.26 -4.96 115.26 110.04 1wwt n ASN 53 Ca 0.00 0.09 -0.22 0.00 -0.60 0.00 0.00 54.58 53.85 1wwt n ASN 53 Cb 0.50 -1.32 -0.16 0.00 -0.53 0.00 0.00 39.78 38.26 1wwt n ASN 53 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1wwt s VAL 54 N -2.15 0.82 0.20 3.44 -7.23 -1.18 -5.09 120.40 109.22 1wwt s VAL 54 Ca 0.00 -0.30 -0.30 0.00 -1.81 0.00 0.00 61.98 59.57 1wwt s VAL 54 Cb 0.00 -0.79 -0.16 0.00 0.56 0.00 0.00 36.38 35.99 1wwt s VAL 54 CO 0.00 0.29 0.84 0.52 -0.31 0.00 0.00 175.10 176.43 1wwt n VAL 55 N 3.90 1.61 -3.79 1.32 0.31 -1.26 0.16 118.33 120.58 1wwt n VAL 55 Ca -0.24 -0.40 -0.14 0.00 -0.01 0.00 0.00 64.34 63.55 1wwt n VAL 55 Cb 0.51 -0.46 -0.15 0.00 -0.91 0.00 0.00 33.84 32.83 1wwt n VAL 55 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1wwt s TRP 56 N -0.78 -0.07 0.29 3.52 -0.11 0.48 -4.60 118.94 117.67 1wwt s TRP 56 Ca 0.66 0.27 -0.29 0.00 1.22 0.00 0.00 56.10 57.96 1wwt s TRP 56 Cb -0.88 -0.10 -0.10 0.00 -1.50 0.00 0.00 33.47 30.89 1wwt s TRP 56 CO 0.57 -0.10 1.19 -0.51 -4.62 0.00 0.00 176.95 173.48 1wwt s ASP 57 N 0.80 7.06 0.37 5.86 1.01 -1.26 -2.79 116.67 127.72 1wwt s ASP 57 Ca -0.06 2.42 0.10 0.00 0.71 0.00 0.00 52.55 55.71 1wwt s ASP 57 Cb -0.09 -2.63 0.73 0.00 1.01 0.00 0.00 42.92 41.94 1wwt s ASP 57 CO -0.03 -0.32 1.87 -0.07 0.21 0.00 0.00 175.17 176.83 1wwt h LEU 58 N 3.87 0.19 -4.06 1.23 3.38 -1.92 -2.63 115.31 115.37 1wwt h LEU 58 Ca -0.47 -0.05 -0.40 0.00 0.09 0.00 0.00 57.88 57.05 1wwt h LEU 58 Cb 1.22 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.77 1wwt h LEU 58 CO 0.68 0.41 0.32 0.47 0.09 0.00 0.00 178.44 180.41 1wwt n ASP 59 N -4.21 6.34 -3.66 -0.43 8.00 -1.26 -3.80 116.55 117.53 1wwt n ASP 59 Ca -0.01 -3.08 -0.08 0.00 0.71 0.00 0.00 54.79 52.33 1wwt n ASP 59 Cb 0.32 -1.18 -0.08 0.00 -0.02 0.00 0.00 41.12 40.16 1wwt n ASP 59 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1wwt s ARG 60 N -1.49 0.60 0.41 -1.24 3.52 -0.99 -5.16 118.95 114.61 1wwt s ARG 60 Ca 0.48 1.10 -0.24 0.00 -0.13 0.00 0.00 55.73 56.94 1wwt s ARG 60 Cb 0.32 0.11 -0.09 0.00 -1.56 0.00 0.00 34.95 33.73 1wwt s ARG 60 CO -0.12 -0.15 1.05 -1.25 -0.81 0.00 0.00 175.30 174.02 1wwt s PRO 61 N 1.60 4.11 1.05 5.12 0.04 -1.26 -4.18 135.00 141.49 1wwt s PRO 61 Ca -0.10 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 62.28 1wwt s PRO 61 Cb -0.06 -2.49 0.26 0.00 0.04 0.00 0.00 34.50 32.25 1wwt s PRO 61 CO -0.18 -0.18 0.59 1.28 0.04 0.00 0.00 177.00 178.55 1wwt n LEU 62 N -0.18 0.00 -0.01 -3.56 7.99 -1.05 -4.69 117.00 115.49 1wwt n LEU 62 Ca 0.05 -0.60 -0.02 0.00 -0.01 0.00 0.00 56.01 55.44 1wwt n LEU 62 Cb 0.50 -0.72 -0.02 0.00 -0.11 0.00 0.00 43.42 43.07 1wwt n LEU 62 CO 0.44 -2.45 -0.59 -0.62 -1.51 0.00 0.00 177.39 172.66 1wwt n GLU 63 N -4.15 1.36 -3.83 3.23 1.02 -1.26 -3.11 120.64 113.90 1wwt n GLU 63 Ca 0.09 0.01 -0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1wwt n GLU 63 Cb 0.41 -1.06 0.01 0.00 -0.02 0.00 0.00 31.44 30.78 1wwt n GLU 63 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1wwt s GLU 64 N -2.06 0.75 -0.50 3.49 -1.05 -1.26 -4.72 118.70 113.35 1wwt s GLU 64 Ca -0.03 -0.46 -0.46 0.00 -0.15 0.00 0.00 54.97 53.87 1wwt s GLU 64 Cb 0.01 0.22 -0.20 0.00 -0.44 0.00 0.00 34.13 33.73 1wwt s GLU 64 CO 0.08 -0.35 1.85 -0.25 0.95 0.00 0.00 175.26 177.54 1wwt n ASP 65 N -0.89 1.00 -2.23 0.83 9.92 -1.26 -4.81 116.55 119.11 1wwt n ASP 65 Ca -0.03 0.95 -0.08 0.00 -0.53 0.00 0.00 54.79 55.10 1wwt n ASP 65 Cb 0.60 -0.89 -0.01 0.00 -0.64 0.00 0.00 41.12 40.18 1wwt n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wwt s THR 67 N -2.60 4.18 -0.10 0.00 -4.23 -1.26 -3.37 115.64 108.26 1wwt s THR 67 Ca 0.16 -0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 60.15 1wwt s THR 67 Cb -0.01 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 1wwt s THR 67 CO 0.12 0.44 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.40 1wwt s LEU 68 N -1.36 3.44 -0.27 4.79 2.96 -0.77 -1.83 118.68 125.64 1wwt s LEU 68 Ca 0.18 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1wwt s LEU 68 Cb -0.11 -1.79 0.16 0.00 0.50 0.00 0.00 46.19 44.94 1wwt s LEU 68 CO 0.08 0.33 0.44 -0.70 -1.32 0.00 0.00 176.35 175.18 1wwt s GLU 69 N -0.61 0.42 0.24 1.98 2.12 -0.95 -2.43 118.70 119.47 1wwt s GLU 69 Ca 0.10 0.52 -0.30 0.00 0.36 0.00 0.00 54.97 55.65 1wwt s GLU 69 Cb -0.12 -0.20 -0.09 0.00 0.26 0.00 0.00 34.13 33.99 1wwt s GLU 69 CO 0.02 -0.76 1.10 -0.51 -0.54 0.00 0.00 175.26 174.56 1wwt s LEU 70 N 2.62 4.53 0.07 2.70 2.01 -1.26 0.17 118.68 129.53 1wwt s LEU 70 Ca 0.13 2.20 -0.04 0.00 0.01 0.00 0.00 54.13 56.43 1wwt s LEU 70 Cb -0.14 -3.62 -0.05 0.00 0.01 0.00 0.00 46.19 42.39 1wwt s LEU 70 CO -0.21 -0.16 0.30 -0.76 1.01 0.00 0.00 176.35 176.53 1wwt s LEU 71 N -1.05 4.33 -0.19 1.79 1.02 0.50 -4.94 118.68 120.14 1wwt s LEU 71 Ca 0.46 0.51 0.16 0.00 0.02 0.00 0.00 54.13 55.28 1wwt s LEU 71 Cb -0.31 -2.99 0.73 0.00 0.02 0.00 0.00 46.19 43.64 1wwt s LEU 71 CO 0.39 0.15 1.65 1.17 0.02 0.00 0.00 176.35 179.73 1wwt n LYS 72 N 0.52 4.20 -3.65 1.70 4.81 -1.26 -1.36 118.16 123.12 1wwt n LYS 72 Ca -0.06 -3.01 -0.02 0.00 -0.87 0.00 0.00 58.31 54.34 1wwt n LYS 72 Cb 0.52 -2.07 -0.06 0.00 0.02 0.00 0.00 35.03 33.44 1wwt n LYS 72 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1wwt s PHE 73 N -2.51 -0.04 0.45 5.64 5.36 -1.26 -4.94 117.98 120.69 1wwt s PHE 73 Ca 0.51 0.09 -0.22 0.00 -0.96 0.00 0.00 56.93 56.35 1wwt s PHE 73 Cb 0.37 0.49 -0.09 0.00 -0.34 0.00 0.00 43.02 43.46 1wwt s PHE 73 CO 0.17 -0.03 1.03 -1.21 -1.46 0.00 0.00 175.22 173.72 1wwt s GLU 74 N -0.47 3.97 -0.28 10.12 2.02 -1.26 -4.72 118.70 128.08 1wwt s GLU 74 Ca 0.08 1.38 -0.02 0.00 0.02 0.00 0.00 54.97 56.44 1wwt s GLU 74 Cb -0.03 -2.25 0.04 0.00 0.10 0.00 0.00 34.13 31.99 1wwt s GLU 74 CO -0.12 -0.29 -0.02 0.34 0.02 0.00 0.00 175.26 175.18 1wwt s ASP 75 N -1.87 4.67 -0.73 -0.19 -1.08 -1.26 -5.03 116.67 111.19 1wwt s ASP 75 Ca 0.64 -1.12 -0.35 0.00 -0.52 0.00 0.00 52.55 51.20 1wwt s ASP 75 Cb -0.17 -1.69 -0.18 0.00 -1.46 0.00 0.00 42.92 39.41 1wwt s ASP 75 CO 0.22 -0.21 2.45 1.21 0.52 0.00 0.00 175.17 179.36 1wwt n GLU 76 N 4.64 0.23 -4.15 4.34 0.00 -1.26 -4.84 120.64 119.60 1wwt n GLU 76 Ca -0.14 0.03 -0.13 0.00 0.00 0.00 0.00 57.16 56.92 1wwt n GLU 76 Cb 0.45 -1.80 -0.08 0.00 0.00 0.00 0.00 31.44 30.01 1wwt n GLU 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1wwt s GLU 77 N 7.73 1.49 -0.45 5.31 -1.05 -1.26 -5.10 118.70 125.37 1wwt s GLU 77 Ca 1.25 -1.62 0.08 0.00 -0.15 0.00 0.00 54.97 54.53 1wwt s GLU 77 Cb -1.18 0.36 0.27 0.00 -0.44 0.00 0.00 34.13 33.14 1wwt s GLU 77 CO 0.52 -0.56 0.62 0.00 0.95 0.00 0.00 175.26 176.79 1wwt n ALA 78 N -0.40 2.82 0.19 -0.84 0.00 -1.26 -4.86 120.51 116.17 1wwt n ALA 78 Ca 0.02 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.71 1wwt n ALA 78 Cb 0.64 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1wwt n ALA 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wwt n GLN 79 N 1.06 0.00 -3.63 0.00 6.02 -1.26 -5.07 117.38 114.50 1wwt n GLN 79 Ca 0.24 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.93 1wwt n GLN 79 Cb 0.52 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.63 1wwt n GLN 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wwt s ALA 80 N -2.00 1.20 -0.17 -1.58 0.00 -1.26 -5.08 121.76 112.86 1wwt s ALA 80 Ca 0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 51.96 50.34 1wwt s ALA 80 Cb 0.00 -1.56 0.08 0.00 0.00 0.00 0.00 23.12 21.64 1wwt s ALA 80 CO 0.00 -1.75 0.26 0.54 0.00 0.00 0.00 175.76 174.81 1wwt s VAL 81 N 1.60 -0.40 -0.27 0.00 0.11 -1.26 -4.94 120.40 115.23 1wwt s VAL 81 Ca 0.11 0.08 -0.23 0.00 -2.93 0.00 0.00 61.98 59.01 1wwt s VAL 81 Cb -0.18 -0.58 0.08 0.00 -1.53 0.00 0.00 36.38 34.16 1wwt s VAL 81 CO -0.24 -0.04 0.76 -0.31 -3.33 0.00 0.00 175.10 171.94 1wwt s TYR 82 N 2.40 -0.81 -0.30 1.54 2.02 -1.26 -5.15 117.35 115.79 1wwt s TYR 82 Ca 0.05 1.86 -0.16 0.00 -0.37 0.00 0.00 57.07 58.45 1wwt s TYR 82 Cb -0.14 0.37 0.17 0.00 -0.40 0.00 0.00 41.96 41.96 1wwt s TYR 82 CO -0.11 -0.39 1.08 -1.54 -1.57 0.00 0.00 175.55 173.02 1wwt s SER 83 N 0.69 -0.41 -0.30 2.29 1.04 -1.26 -4.95 113.70 110.79 1wwt s SER 83 Ca -0.02 0.57 -0.24 0.00 0.48 0.00 0.00 55.95 56.74 1wwt s SER 83 Cb -0.05 1.46 0.00 0.00 0.10 0.00 0.00 66.02 67.53 1wwt s SER 83 CO -0.05 -0.08 0.80 -0.83 0.98 0.00 0.00 173.24 174.06 1wwt s GLY 84 N 2.30 1.71 -0.73 7.32 0.00 -1.26 -4.99 107.32 111.67 1wwt s GLY 84 Ca -0.02 -0.38 -0.26 0.00 0.00 0.00 0.00 44.72 44.06 1wwt s GLY 84 CO -0.17 1.77 1.59 2.56 0.00 0.00 0.00 173.10 178.84 1wwt s PRO 85 N 2.96 2.94 -0.29 2.90 0.04 -1.26 -4.90 135.00 137.40 1wwt s PRO 85 Ca 0.33 0.02 -0.14 0.00 0.04 0.00 0.00 61.00 61.25 1wwt s PRO 85 Cb -0.14 -4.44 0.11 0.00 0.04 0.00 0.00 34.50 30.07 1wwt s PRO 85 CO 0.12 -2.49 0.76 0.45 0.04 0.00 0.00 177.00 175.88 1wwt s SER 86 N 5.97 -0.89 0.29 6.66 0.15 -1.26 -5.16 113.70 119.47 1wwt s SER 86 Ca 0.52 1.33 -0.26 0.00 0.70 0.00 0.00 55.95 58.25 1wwt s SER 86 Cb -0.09 1.64 -0.09 0.00 -1.71 0.00 0.00 66.02 65.77 1wwt s SER 86 CO 0.14 -0.20 0.91 -0.55 1.20 0.00 0.00 173.24 174.73 1wwt s SER 87 N 2.03 7.34 0.00 5.45 0.15 -1.26 -5.28 113.70 122.12 1wwt s SER 87 Ca -0.08 1.78 0.00 0.00 0.70 0.00 0.00 55.95 58.35 1wwt s SER 87 Cb -0.07 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1wwt s SER 87 CO -0.19 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.85