#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwt n SER 2 N 0.00 3.72 -4.22 1.61 7.64 -1.26 -4.97 113.62 116.14 1wwt n SER 2 Ca 0.00 0.99 -0.13 0.00 1.01 0.00 0.00 58.87 60.74 1wwt n SER 2 Cb 0.00 -1.47 -0.10 0.00 -1.01 0.00 0.00 64.21 61.63 1wwt n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wwt s SER 3 N 3.08 1.42 0.00 6.43 1.04 -1.26 -5.09 113.70 119.32 1wwt s SER 3 Ca 0.86 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1wwt s SER 3 Cb -0.57 0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.61 1wwt s SER 3 CO 0.42 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1wwt n GLY 4 N -0.17 0.05 2.82 7.32 0.00 -1.26 -5.07 105.19 108.87 1wwt n GLY 4 Ca -0.10 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.17 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 0.13 -4.07 0.07 1.61 2.88 -1.26 -4.95 113.62 108.04 1wwt n SER 5 Ca 0.00 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1wwt n SER 5 Cb 0.00 -3.81 0.00 0.00 -0.75 0.00 0.00 64.21 59.65 1wwt n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wwt n SER 6 N 1.82 -1.34 -1.54 -3.46 3.41 -1.26 -5.10 113.62 106.15 1wwt n SER 6 Ca -0.21 0.60 -0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1wwt n SER 6 Cb 0.36 1.56 0.00 0.00 -0.26 0.00 0.00 64.21 65.88 1wwt n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wwt n GLY 7 N -1.16 -1.56 3.65 5.00 0.00 -1.26 -5.12 105.19 104.74 1wwt n GLY 7 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 1wwt n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1wwt s ASP 8 N -0.66 -0.19 0.73 1.61 -4.77 -1.26 -5.16 116.67 106.98 1wwt s ASP 8 Ca 0.00 0.35 -0.15 0.00 -3.30 0.00 0.00 52.55 49.45 1wwt s ASP 8 Cb -0.00 0.48 0.04 0.00 -1.09 0.00 0.00 42.92 42.35 1wwt s ASP 8 CO 0.02 -0.06 1.21 -0.94 0.70 0.00 0.00 175.17 176.10 1wwt s SER 9 N 0.27 4.17 0.08 2.11 1.04 -1.26 -5.01 113.70 115.10 1wwt s SER 9 Ca 0.04 2.36 -0.11 0.00 0.48 0.00 0.00 55.95 58.72 1wwt s SER 9 Cb -0.05 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.49 1wwt s SER 9 CO -0.13 -2.28 0.24 -1.59 0.98 0.00 0.00 173.24 170.46 1wwt s LYS 10 N -3.92 0.84 -0.44 4.02 -2.85 -1.26 -4.96 119.74 111.18 1wwt s LYS 10 Ca 0.74 -0.79 -0.29 0.00 -1.00 0.00 0.00 55.97 54.64 1wwt s LYS 10 Cb -0.29 0.35 0.01 0.00 -2.06 0.00 0.00 37.83 35.84 1wwt s LYS 10 CO 0.45 -0.27 1.42 -1.25 0.10 0.00 0.00 175.35 175.81 1wwt s PRO 11 N -3.40 3.52 0.47 1.78 0.04 -1.26 -1.30 135.00 134.85 1wwt s PRO 11 Ca 0.01 0.86 0.07 0.00 0.04 0.00 0.00 61.00 61.99 1wwt s PRO 11 Cb 0.02 -4.05 0.01 0.00 0.04 0.00 0.00 34.50 30.53 1wwt s PRO 11 CO -0.09 -1.64 0.46 0.96 0.04 0.00 0.00 177.00 176.73 1wwt s ILE 12 N 5.60 2.36 -0.11 0.56 -4.36 0.51 -4.94 121.20 120.81 1wwt s ILE 12 Ca 0.60 -1.30 0.01 0.00 -0.26 0.00 0.00 60.65 59.70 1wwt s ILE 12 Cb -0.13 -2.66 0.02 0.00 1.25 0.00 0.00 42.46 40.93 1wwt s ILE 12 CO 0.32 0.00 -0.13 -0.54 0.24 0.00 0.00 174.94 174.82 1wwt s LYS 13 N -4.27 2.06 -0.25 0.37 -0.14 -1.26 0.06 119.74 116.31 1wwt s LYS 13 Ca 0.47 -0.49 -0.04 0.00 -1.36 0.00 0.00 55.97 54.56 1wwt s LYS 13 Cb -0.04 -1.83 0.01 0.00 -1.68 0.00 0.00 37.83 34.29 1wwt s LYS 13 CO 0.28 -0.13 -0.02 0.08 -0.76 0.00 0.00 175.35 174.81 1wwt s VAL 14 N 1.20 3.36 -0.16 3.17 1.01 -0.22 -2.80 120.40 125.95 1wwt s VAL 14 Ca -0.03 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 1wwt s VAL 14 Cb -0.14 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1wwt s VAL 14 CO -0.04 0.25 0.70 -0.89 0.00 0.00 0.00 175.10 175.12 1wwt s THR 15 N 1.43 4.99 0.90 3.92 2.01 -1.15 -0.93 115.64 126.80 1wwt s THR 15 Ca 0.03 1.37 -0.11 0.00 0.31 0.00 0.00 61.69 63.29 1wwt s THR 15 Cb -0.16 -4.02 0.13 0.00 0.01 0.00 0.00 72.50 68.47 1wwt s THR 15 CO -0.02 0.12 1.12 -0.76 -0.69 0.00 0.00 174.62 174.38 1wwt s LEU 16 N 1.74 2.65 0.00 4.42 1.43 0.17 -0.92 118.68 128.17 1wwt s LEU 16 Ca 0.33 1.97 0.17 0.00 -1.03 0.00 0.00 54.13 55.57 1wwt s LEU 16 Cb -0.16 -4.39 1.01 0.00 0.03 0.00 0.00 46.19 42.68 1wwt s LEU 16 CO 0.12 -2.89 1.49 -0.81 0.23 0.00 0.00 176.35 174.49 1wwt n PRO 17 N -4.09 0.75 -0.00 1.29 -0.04 -0.92 -1.90 135.00 130.09 1wwt n PRO 17 Ca 0.10 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.65 1wwt n PRO 17 Cb 0.53 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 32.50 1wwt n PRO 17 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wwt n ASP 18 N -0.85 0.69 0.00 3.54 8.00 -1.26 -4.98 116.55 121.68 1wwt n ASP 18 Ca 0.13 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1wwt n ASP 18 Cb 0.06 1.49 0.00 0.00 -0.02 0.00 0.00 41.12 42.65 1wwt n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wwt n GLY 19 N 1.42 1.10 3.47 0.44 0.00 -0.80 -5.10 105.19 105.72 1wwt n GLY 19 Ca -0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.05 -4.28 1.61 4.76 -1.26 -4.61 118.16 113.33 1wwt n LYS 20 Ca 0.00 -0.27 -0.23 0.00 -2.87 0.00 0.00 58.31 54.94 1wwt n LYS 20 Cb 0.00 -2.04 -0.12 0.00 -1.84 0.00 0.00 35.03 31.02 1wwt n LYS 20 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1wwt s GLN 21 N -4.05 1.10 0.11 1.97 -0.21 -1.26 0.42 119.66 117.74 1wwt s GLN 21 Ca 0.62 -1.16 -0.00 0.00 0.02 0.00 0.00 55.36 54.84 1wwt s GLN 21 Cb -0.21 -1.34 -0.04 0.00 1.00 0.00 0.00 33.01 32.42 1wwt s GLN 21 CO 0.64 0.31 0.01 0.08 -2.12 0.00 0.00 175.29 174.21 1wwt s VAL 22 N -1.22 0.25 -0.18 1.09 1.01 -0.10 -4.90 120.40 116.34 1wwt s VAL 22 Ca 0.06 -1.89 -0.09 0.00 0.00 0.00 0.00 61.98 60.06 1wwt s VAL 22 Cb -0.10 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1wwt s VAL 22 CO 0.04 -0.65 0.12 1.51 0.00 0.00 0.00 175.10 176.12 1wwt s ASP 23 N -3.03 6.17 0.34 3.32 -4.77 -1.26 -1.05 116.67 116.40 1wwt s ASP 23 Ca 0.18 0.25 0.06 0.00 -3.30 0.00 0.00 52.55 49.74 1wwt s ASP 23 Cb 0.07 -2.07 -0.03 0.00 -1.09 0.00 0.00 42.92 39.81 1wwt s ASP 23 CO -0.02 0.22 0.22 0.00 0.70 0.00 0.00 175.17 176.29 1wwt s ALA 24 N 0.12 2.14 -0.04 2.11 0.00 0.11 -4.88 121.76 121.32 1wwt s ALA 24 Ca 0.09 -1.79 -0.00 0.00 0.00 0.00 0.00 51.96 50.25 1wwt s ALA 24 Cb -0.11 1.25 0.03 0.00 0.00 0.00 0.00 23.12 24.29 1wwt s ALA 24 CO -0.01 -0.56 0.00 -1.21 0.00 0.00 0.00 175.76 173.99 1wwt s GLU 25 N -3.58 0.41 0.23 0.00 2.02 -1.26 0.19 118.70 116.71 1wwt s GLU 25 Ca 0.35 0.10 -0.32 0.00 0.02 0.00 0.00 54.97 55.13 1wwt s GLU 25 Cb 0.03 -0.68 -0.13 0.00 0.10 0.00 0.00 34.13 33.46 1wwt s GLU 25 CO 0.23 -0.20 1.59 -1.13 0.02 0.00 0.00 175.26 175.77 1wwt n SER 26 N 4.58 3.51 -2.32 -0.19 3.41 -0.42 -0.36 113.62 121.83 1wwt n SER 26 Ca -0.17 1.11 -0.20 0.00 -0.26 0.00 0.00 58.87 59.34 1wwt n SER 26 Cb 0.50 -1.52 -0.01 0.00 -0.26 0.00 0.00 64.21 62.93 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 2.92 -1.02 0.00 7.33 7.02 -0.75 -4.03 117.44 128.91 1wwt n TRP 27 Ca 0.13 0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.65 1wwt n TRP 27 Cb 0.33 -3.88 0.00 0.00 -2.42 0.00 0.00 31.31 25.34 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 -2.99 0.00 -1.68 -0.99 5.02 0.51 -4.95 118.16 113.09 1wwt n LYS 28 Ca -0.23 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.77 1wwt n LYS 28 Cb 0.67 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.82 1wwt n LYS 28 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1wwt s THR 29 N -0.31 1.97 0.20 -0.18 2.01 0.03 -4.87 115.64 114.48 1wwt s THR 29 Ca 0.00 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1wwt s THR 29 Cb 0.00 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 1wwt s THR 29 CO 0.00 0.00 0.05 0.42 -0.69 0.00 0.00 174.62 174.40 1wwt s THR 30 N -3.45 0.51 -0.18 -0.82 -4.23 -1.26 -2.63 115.64 103.58 1wwt s THR 30 Ca 0.65 -1.98 0.28 0.00 -1.18 0.00 0.00 61.69 59.47 1wwt s THR 30 Cb -0.12 -2.31 0.36 0.00 1.34 0.00 0.00 72.50 71.78 1wwt s THR 30 CO 0.52 -0.28 1.80 1.55 -0.54 0.00 0.00 174.62 177.67 1wwt h PRO 31 N 2.61 0.00 0.07 3.99 0.13 -1.77 -2.55 132.00 134.48 1wwt h PRO 31 Ca -0.37 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.51 1wwt h PRO 31 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1wwt h PRO 31 CO 0.61 0.00 -1.20 -0.92 -0.23 0.00 0.00 178.00 176.26 1wwt h TYR 32 N 0.00 0.26 -0.01 1.56 3.20 -1.89 -3.28 116.97 116.81 1wwt h TYR 32 Ca 0.00 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 61.65 1wwt h TYR 32 Cb 0.74 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1wwt h TYR 32 CO 0.00 1.16 -0.10 1.96 -1.64 0.00 0.00 178.16 179.54 1wwt h GLN 33 N 0.04 0.09 -0.89 1.82 4.20 -1.83 -2.79 115.11 115.74 1wwt h GLN 33 Ca -0.10 -0.08 0.23 0.00 0.06 0.00 0.00 58.65 58.76 1wwt h GLN 33 Cb 1.90 0.02 -0.16 0.00 0.30 0.00 0.00 27.48 29.54 1wwt h GLN 33 CO 0.16 0.78 0.06 0.82 -0.67 0.00 0.00 178.83 179.98 1wwt h ILE 34 N -0.57 0.18 0.88 2.54 2.04 -1.58 0.47 117.51 121.47 1wwt h ILE 34 Ca -0.01 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1wwt h ILE 34 Cb 0.80 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1wwt h ILE 34 CO 0.02 0.01 -0.42 0.00 0.00 0.00 0.00 178.15 177.76 1wwt h ALA 35 N 1.85 -1.21 -0.99 1.87 0.00 -1.62 -2.51 119.26 116.66 1wwt h ALA 35 Ca 0.53 -0.26 0.36 0.00 0.00 0.00 0.00 54.91 55.54 1wwt h ALA 35 Cb 1.04 0.46 -0.16 0.00 0.00 0.00 0.00 17.79 19.12 1wwt h ALA 35 CO -0.79 -1.12 0.51 0.00 0.00 0.00 0.00 179.25 177.85 1wwt h GLY 37 N 0.17 -1.05 -0.42 0.00 0.00 0.28 -1.96 103.07 100.10 1wwt h GLY 37 Ca 0.77 0.74 0.04 0.00 0.00 0.00 0.00 47.33 48.88 1wwt h GLY 37 CO -0.69 -0.13 -0.33 -2.22 0.00 0.00 0.00 176.54 173.17 1wwt h ILE 38 N -0.32 0.00 -1.40 2.60 2.04 -0.52 -3.44 117.51 116.47 1wwt h ILE 38 Ca 0.08 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.07 1wwt h ILE 38 Cb 0.54 0.00 -0.29 0.00 -0.74 0.00 0.00 36.82 36.33 1wwt h ILE 38 CO -0.61 0.00 0.55 -0.44 0.00 0.00 0.00 178.15 177.65 1wwt s SER 39 N -4.26 -0.34 -0.20 1.72 0.01 -0.74 -5.11 113.70 104.78 1wwt s SER 39 Ca -0.07 0.59 -0.34 0.00 1.31 0.00 0.00 55.95 57.44 1wwt s SER 39 Cb 0.06 0.88 -0.10 0.00 0.21 0.00 0.00 66.02 67.06 1wwt s SER 39 CO 0.35 -0.10 2.03 1.67 0.41 0.00 0.00 173.24 177.61 1wwt n GLN 40 N 2.78 1.78 0.00 12.44 7.27 -1.22 -2.17 117.38 138.26 1wwt n GLN 40 Ca -0.15 0.59 0.00 0.00 0.07 0.00 0.00 57.00 57.51 1wwt n GLN 40 Cb 0.57 -2.69 0.00 0.00 2.41 0.00 0.00 30.24 30.53 1wwt n GLN 40 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1wwt n GLY 41 N 5.29 2.89 0.32 1.69 0.00 -1.26 -4.96 105.19 109.16 1wwt n GLY 41 Ca 0.30 -0.37 0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 0.68 -0.05 0.99 6.46 -1.75 0.19 115.31 121.83 1wwt h LEU 42 Ca 0.00 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1wwt h LEU 42 Cb 0.00 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 1wwt h LEU 42 CO 0.00 0.56 0.00 0.00 -0.62 0.00 0.00 178.44 178.38 1wwt n ALA 43 N -2.45 2.19 0.56 1.25 0.00 -1.26 -2.42 120.51 118.38 1wwt n ALA 43 Ca 0.05 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1wwt n ALA 43 Cb 0.11 -1.44 0.37 0.00 0.00 0.00 0.00 19.45 18.49 1wwt n ALA 43 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1wwt h ASP 44 N 0.00 0.00 -2.28 0.00 3.58 -1.00 -3.31 116.42 113.41 1wwt h ASP 44 Ca 0.00 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.84 1wwt h ASP 44 Cb 0.53 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 41.17 1wwt h ASP 44 CO 0.00 0.00 -0.51 -3.20 -2.88 0.00 0.00 179.24 172.65 1wwt n ASN 45 N -2.40 4.57 -3.85 2.28 2.85 -1.02 -5.02 115.26 112.68 1wwt n ASN 45 Ca 0.05 -3.64 -0.10 0.00 -0.11 0.00 0.00 54.58 50.78 1wwt n ASN 45 Cb 0.44 -0.63 -0.08 0.00 1.24 0.00 0.00 39.78 40.76 1wwt n ASN 45 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1wwt s THR 46 N -4.07 0.12 0.10 -0.44 2.01 -1.25 -4.84 115.64 107.27 1wwt s THR 46 Ca 0.46 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1wwt s THR 46 Cb 0.25 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.70 1wwt s THR 46 CO -0.11 -0.54 0.00 1.33 -0.69 0.00 0.00 174.62 174.61 1wwt n VAL 47 N 0.43 0.94 -3.75 3.82 0.24 -0.92 -4.98 118.33 114.10 1wwt n VAL 47 Ca -0.18 0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 62.31 1wwt n VAL 47 Cb 0.60 -1.48 -0.13 0.00 -1.47 0.00 0.00 33.84 31.36 1wwt n VAL 47 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1wwt s ILE 48 N -2.00 -0.03 0.02 1.34 -1.09 -1.26 -4.87 121.20 113.30 1wwt s ILE 48 Ca 0.00 0.12 -0.18 0.00 -2.23 0.00 0.00 60.65 58.36 1wwt s ILE 48 Cb 0.00 -0.35 -0.06 0.00 -1.58 0.00 0.00 42.46 40.47 1wwt s ILE 48 CO 0.00 0.05 0.51 0.00 -1.23 0.00 0.00 174.94 174.26 1wwt s ALA 49 N 0.97 3.60 -0.24 9.38 0.00 -0.87 -1.42 121.76 133.19 1wwt s ALA 49 Ca -0.07 -0.08 -0.10 0.00 0.00 0.00 0.00 51.96 51.71 1wwt s ALA 49 Cb -0.08 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 1wwt s ALA 49 CO -0.06 0.35 0.14 0.15 0.00 0.00 0.00 175.76 176.33 1wwt s LYS 50 N -0.77 3.98 -0.47 0.00 1.02 -0.01 0.19 119.74 123.68 1wwt s LYS 50 Ca 0.27 -0.32 -0.06 0.00 0.02 0.00 0.00 55.97 55.88 1wwt s LYS 50 Cb -0.18 -3.48 0.12 0.00 -0.52 0.00 0.00 37.83 33.78 1wwt s LYS 50 CO 0.16 0.02 0.30 0.08 -0.92 0.00 0.00 175.35 174.99 1wwt s VAL 51 N 1.14 3.81 -0.09 3.17 1.01 0.43 -2.51 120.40 127.36 1wwt s VAL 51 Ca 0.06 -2.03 -0.00 0.00 0.00 0.00 0.00 61.98 60.02 1wwt s VAL 51 Cb -0.14 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1wwt s VAL 51 CO 0.05 -0.76 0.03 -3.20 0.00 0.00 0.00 175.10 171.22 1wwt n ASN 52 N 4.62 -1.77 -0.86 3.32 2.85 -0.91 -3.11 115.26 119.39 1wwt n ASN 52 Ca -0.04 -0.02 -0.09 0.00 -0.11 0.00 0.00 54.58 54.33 1wwt n ASN 52 Cb 0.41 -0.75 -0.02 0.00 1.24 0.00 0.00 39.78 40.66 1wwt n ASN 52 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1wwt n ASN 53 N 1.51 -3.70 -4.05 1.20 3.02 -1.26 -4.98 115.26 107.00 1wwt n ASN 53 Ca -0.01 0.12 -0.21 0.00 -0.03 0.00 0.00 54.58 54.46 1wwt n ASN 53 Cb 0.51 -2.44 -0.15 0.00 -0.61 0.00 0.00 39.78 37.08 1wwt n ASN 53 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1wwt s VAL 54 N -2.40 0.91 0.14 2.41 -7.23 -1.18 -5.08 120.40 107.97 1wwt s VAL 54 Ca 0.00 -0.47 -0.35 0.00 -1.81 0.00 0.00 61.98 59.36 1wwt s VAL 54 Cb 0.00 -0.78 -0.15 0.00 0.56 0.00 0.00 36.38 36.01 1wwt s VAL 54 CO 0.00 0.27 1.46 0.52 -0.31 0.00 0.00 175.10 177.04 1wwt n VAL 55 N 2.98 0.09 -3.72 1.32 0.31 -1.26 0.16 118.33 118.22 1wwt n VAL 55 Ca -0.16 -0.02 -0.17 0.00 -0.01 0.00 0.00 64.34 63.98 1wwt n VAL 55 Cb 0.55 -1.23 -0.17 0.00 -0.91 0.00 0.00 33.84 32.08 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 0.64 0.04 0.50 3.52 -0.11 0.51 -4.68 118.94 119.36 1wwt s TRP 56 Ca 0.80 0.21 -0.23 0.00 1.22 0.00 0.00 56.10 58.10 1wwt s TRP 56 Cb -0.79 -0.36 -0.06 0.00 -1.50 0.00 0.00 33.47 30.76 1wwt s TRP 56 CO 0.42 -0.14 1.30 -0.51 -4.62 0.00 0.00 176.95 173.40 1wwt s ASP 57 N 1.63 5.71 0.43 5.86 1.11 -1.26 -2.05 116.67 128.11 1wwt s ASP 57 Ca -0.02 2.62 0.23 0.00 0.18 0.00 0.00 52.55 55.57 1wwt s ASP 57 Cb -0.12 -2.63 0.86 0.00 1.07 0.00 0.00 42.92 42.09 1wwt s ASP 57 CO -0.03 -1.26 1.80 -0.07 1.18 0.00 0.00 175.17 176.79 1wwt h LEU 58 N 1.85 0.00 -3.71 1.23 3.38 -1.89 -2.72 115.31 113.45 1wwt h LEU 58 Ca -0.50 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 56.98 1wwt h LEU 58 Cb 1.27 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.79 1wwt h LEU 58 CO 0.59 0.24 0.63 0.47 0.09 0.00 0.00 178.44 180.46 1wwt n ASP 59 N -3.39 5.72 -3.79 -0.43 9.92 -1.26 -3.80 116.55 119.52 1wwt n ASP 59 Ca 0.00 -3.42 -0.13 0.00 -0.53 0.00 0.00 54.79 50.71 1wwt n ASP 59 Cb 0.45 -0.91 -0.14 0.00 -0.64 0.00 0.00 41.12 39.87 1wwt n ASP 59 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1wwt s ARG 60 N -2.88 0.05 0.42 -1.24 3.52 -1.03 -5.14 118.95 112.65 1wwt s ARG 60 Ca 0.49 0.22 -0.23 0.00 -0.13 0.00 0.00 55.73 56.08 1wwt s ARG 60 Cb 0.40 -0.12 -0.09 0.00 -1.56 0.00 0.00 34.95 33.58 1wwt s ARG 60 CO 0.03 -0.11 1.05 -1.25 -0.81 0.00 0.00 175.30 174.21 1wwt s PRO 61 N 0.73 4.09 1.43 5.12 0.04 -1.26 -4.10 135.00 141.05 1wwt s PRO 61 Ca -0.06 1.49 -0.24 0.00 0.04 0.00 0.00 61.00 62.24 1wwt s PRO 61 Cb -0.08 -2.46 0.37 0.00 0.04 0.00 0.00 34.50 32.37 1wwt s PRO 61 CO -0.03 -0.20 0.94 -0.51 0.04 0.00 0.00 177.00 177.23 1wwt s LEU 62 N -2.80 -1.13 -0.07 -3.56 2.01 -1.08 -4.65 118.68 107.40 1wwt s LEU 62 Ca 0.60 0.78 0.02 0.00 0.01 0.00 0.00 54.13 55.53 1wwt s LEU 62 Cb -0.21 -2.18 -0.06 0.00 0.01 0.00 0.00 46.19 43.75 1wwt s LEU 62 CO 0.26 -5.39 -0.05 -0.62 1.01 0.00 0.00 176.35 171.57 1wwt n GLU 63 N -5.64 0.91 -3.35 1.70 1.02 -1.26 -1.81 120.64 112.20 1wwt n GLU 63 Ca 0.14 0.03 0.02 0.00 -0.02 0.00 0.00 57.16 57.33 1wwt n GLU 63 Cb 0.60 -1.15 0.01 0.00 -0.02 0.00 0.00 31.44 30.88 1wwt n GLU 63 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1wwt n GLU 64 N -2.60 0.11 -1.41 3.49 0.28 -1.26 -4.61 120.64 114.65 1wwt n GLU 64 Ca -0.13 -0.51 -0.61 0.00 -0.16 0.00 0.00 57.16 55.75 1wwt n GLU 64 Cb 0.66 0.87 -0.11 0.00 1.43 0.00 0.00 31.44 34.29 1wwt n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1wwt n ASP 65 N -0.79 1.08 -2.04 -1.84 8.00 -1.26 -4.81 116.55 114.89 1wwt n ASP 65 Ca 0.03 0.79 -0.07 0.00 0.71 0.00 0.00 54.79 56.25 1wwt n ASP 65 Cb 0.40 -0.94 -0.01 0.00 -0.02 0.00 0.00 41.12 40.55 1wwt n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wwt s THR 67 N -2.61 3.62 -0.08 0.00 -4.23 -1.26 -2.96 115.64 108.14 1wwt s THR 67 Ca 0.14 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 1wwt s THR 67 Cb -0.01 -2.65 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 1wwt s THR 67 CO 0.10 0.24 -0.08 -0.22 -0.54 0.00 0.00 174.62 174.12 1wwt s LEU 68 N -1.88 3.11 -0.25 4.79 2.96 -0.09 -2.15 118.68 125.16 1wwt s LEU 68 Ca 0.20 -0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1wwt s LEU 68 Cb -0.11 -1.68 0.14 0.00 0.50 0.00 0.00 46.19 45.04 1wwt s LEU 68 CO 0.12 0.34 0.38 -0.70 -1.32 0.00 0.00 176.35 175.17 1wwt s GLU 69 N -0.66 0.36 0.04 1.98 2.12 -1.04 -2.16 118.70 119.34 1wwt s GLU 69 Ca 0.10 0.47 -0.30 0.00 0.36 0.00 0.00 54.97 55.59 1wwt s GLU 69 Cb -0.11 -0.45 -0.04 0.00 0.26 0.00 0.00 34.13 33.78 1wwt s GLU 69 CO 0.02 -0.71 1.00 -0.51 -0.54 0.00 0.00 175.26 174.52 1wwt s LEU 70 N 2.54 4.40 0.40 2.70 2.01 -1.26 -0.83 118.68 128.65 1wwt s LEU 70 Ca 0.12 1.75 -0.13 0.00 0.01 0.00 0.00 54.13 55.88 1wwt s LEU 70 Cb -0.15 -3.58 -0.08 0.00 0.01 0.00 0.00 46.19 42.40 1wwt s LEU 70 CO -0.18 -0.24 0.80 -0.76 1.01 0.00 0.00 176.35 176.98 1wwt s LEU 71 N 0.73 3.87 -0.01 1.79 1.02 -0.51 -4.94 118.68 120.64 1wwt s LEU 71 Ca 0.51 1.27 0.09 0.00 0.02 0.00 0.00 54.13 56.03 1wwt s LEU 71 Cb -0.23 -4.13 -0.23 0.00 0.02 0.00 0.00 46.19 41.62 1wwt s LEU 71 CO 0.29 -0.37 0.80 0.07 0.02 0.00 0.00 176.35 177.15 1wwt h LYS 72 N 1.52 0.03 -2.23 1.70 2.10 -1.90 -2.45 116.57 115.34 1wwt h LYS 72 Ca -0.47 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.15 1wwt h LYS 72 Cb 1.18 0.02 -0.17 0.00 -0.90 0.00 0.00 32.23 32.36 1wwt h LYS 72 CO 0.64 0.68 0.35 0.12 -2.00 0.00 0.00 179.45 179.23 1wwt s PHE 73 N -2.62 -0.49 0.10 0.07 2.19 -1.26 -4.72 117.98 111.25 1wwt s PHE 73 Ca -0.04 0.58 -0.06 0.00 0.33 0.00 0.00 56.93 57.74 1wwt s PHE 73 Cb 0.08 0.49 -0.01 0.00 -1.31 0.00 0.00 43.02 42.27 1wwt s PHE 73 CO 0.82 -0.60 0.15 -1.21 1.83 0.00 0.00 175.22 176.22 1wwt s GLU 74 N -2.33 0.87 -0.31 10.12 0.41 -1.26 -4.95 118.70 121.26 1wwt s GLU 74 Ca -0.02 -1.11 0.06 0.00 -0.41 0.00 0.00 54.97 53.49 1wwt s GLU 74 Cb -0.01 0.31 0.19 0.00 -1.78 0.00 0.00 34.13 32.85 1wwt s GLU 74 CO -0.03 -0.27 0.56 0.34 -0.49 0.00 0.00 175.26 175.38 1wwt s ASP 75 N -2.92 -1.21 0.00 -0.19 2.15 -1.26 -5.07 116.67 108.17 1wwt s ASP 75 Ca 0.10 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 52.98 1wwt s ASP 75 Cb 0.05 1.83 0.00 0.00 -0.30 0.00 0.00 42.92 44.51 1wwt s ASP 75 CO -0.07 -0.29 0.00 -0.62 -0.17 0.00 0.00 175.17 174.02 1wwt n GLU 76 N 5.22 0.00 -1.39 4.34 -0.58 -1.26 -5.15 120.64 121.82 1wwt n GLU 76 Ca 0.05 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.88 1wwt n GLU 76 Cb 0.53 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.36 1wwt n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1wwt n GLU 77 N 0.00 -3.43 0.00 3.49 2.13 -1.26 -4.94 120.64 116.62 1wwt n GLU 77 Ca 0.00 2.74 0.00 0.00 0.66 0.00 0.00 57.16 60.56 1wwt n GLU 77 Cb 0.00 -3.67 0.00 0.00 0.27 0.00 0.00 31.44 28.04 1wwt n GLU 77 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wwt n ALA 78 N -3.44 0.00 -3.32 4.31 0.00 -1.26 -4.95 120.51 111.85 1wwt n ALA 78 Ca -0.05 -0.12 -0.36 0.00 0.00 0.00 0.00 53.44 52.92 1wwt n ALA 78 Cb 0.55 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.04 1wwt n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wwt n GLN 79 N -1.96 -1.74 -3.68 0.00 10.64 -1.26 -2.61 117.38 116.77 1wwt n GLN 79 Ca 0.00 1.30 -0.29 0.00 -1.83 0.00 0.00 57.00 56.18 1wwt n GLN 79 Cb 0.00 -1.82 0.01 0.00 -0.86 0.00 0.00 30.24 27.58 1wwt n GLN 79 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1wwt n ALA 80 N -0.13 -2.64 0.27 2.61 0.00 -1.26 -4.83 120.51 114.53 1wwt n ALA 80 Ca -0.08 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.42 1wwt n ALA 80 Cb 0.63 -1.25 0.26 0.00 0.00 0.00 0.00 19.45 19.09 1wwt n ALA 80 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wwt n VAL 81 N -1.79 0.59 -3.81 0.00 3.14 -1.07 -4.96 118.33 110.42 1wwt n VAL 81 Ca -0.24 -0.75 -0.05 0.00 -2.96 0.00 0.00 64.34 60.34 1wwt n VAL 81 Cb 0.69 0.77 -0.00 0.00 -1.06 0.00 0.00 33.84 34.23 1wwt n VAL 81 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 1wwt s TYR 82 N -1.41 -0.06 -0.22 1.45 5.04 -1.26 -4.93 117.35 115.96 1wwt s TYR 82 Ca 0.40 -0.36 -0.16 0.00 -2.44 0.00 0.00 57.07 54.51 1wwt s TYR 82 Cb 0.23 0.70 -0.10 0.00 0.35 0.00 0.00 41.96 43.14 1wwt s TYR 82 CO 0.31 -1.07 -0.24 0.43 -1.34 0.00 0.00 175.55 173.64 1wwt n SER 83 N -0.77 1.92 0.00 4.32 7.64 -1.26 -5.07 113.62 120.40 1wwt n SER 83 Ca -0.05 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1wwt n SER 83 Cb 0.60 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1wwt n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwt n GLY 84 N 1.39 2.54 2.80 0.23 0.00 -1.26 -4.99 105.19 105.90 1wwt n GLY 84 Ca -0.32 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 1wwt n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wwt n PRO 85 N -1.34 2.33 0.00 1.61 -0.04 -1.26 -4.81 135.00 131.49 1wwt n PRO 85 Ca 0.00 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.38 1wwt n PRO 85 Cb 0.00 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 1wwt n PRO 85 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wwt n SER 86 N 5.99 0.00 -4.37 3.54 7.64 -1.26 -4.41 113.62 120.75 1wwt n SER 86 Ca 0.53 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 60.08 1wwt n SER 86 Cb 0.33 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.39 1wwt n SER 86 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wwt s SER 87 N -4.00 4.16 0.00 6.43 0.15 -1.26 -5.17 113.70 114.01 1wwt s SER 87 Ca 0.00 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1wwt s SER 87 Cb 0.00 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.65 1wwt s SER 87 CO 0.00 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.18