#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 6.82 -0.35 1.61 0.15 -1.26 -4.93 113.70 115.74 1wwt s SER 2 Ca 0.00 0.84 -0.38 0.00 0.70 0.00 0.00 55.95 57.11 1wwt s SER 2 Cb 0.00 -2.54 -0.14 0.00 -1.71 0.00 0.00 66.02 61.63 1wwt s SER 2 CO 0.00 -1.00 2.06 -0.24 1.20 0.00 0.00 173.24 175.26 1wwt n SER 3 N 7.19 1.98 -4.62 5.45 2.88 -1.26 -4.78 113.62 120.46 1wwt n SER 3 Ca 0.12 0.63 -0.45 0.00 -1.33 0.00 0.00 58.87 57.84 1wwt n SER 3 Cb 0.48 -1.17 -0.04 0.00 -0.75 0.00 0.00 64.21 62.73 1wwt n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wwt n GLY 4 N 6.09 1.31 2.57 0.46 0.00 -1.26 -4.93 105.19 109.43 1wwt n GLY 4 Ca 0.40 0.84 -0.27 0.00 0.00 0.00 0.00 46.02 46.98 1wwt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwt s SER 5 N 5.97 3.25 -0.02 1.61 0.01 -1.26 -4.99 113.70 118.26 1wwt s SER 5 Ca 0.97 -1.18 -0.00 0.00 1.31 0.00 0.00 55.95 57.04 1wwt s SER 5 Cb -0.53 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.45 1wwt s SER 5 CO 0.44 -0.43 0.00 -1.20 0.41 0.00 0.00 173.24 172.46 1wwt n SER 6 N 5.26 -6.70 -3.53 2.44 7.64 -1.26 -4.94 113.62 112.53 1wwt n SER 6 Ca -0.06 0.51 -0.27 0.00 1.01 0.00 0.00 58.87 60.06 1wwt n SER 6 Cb 0.43 -1.84 -0.10 0.00 -1.01 0.00 0.00 64.21 61.69 1wwt n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwt n GLY 7 N 1.32 3.37 2.75 0.23 0.00 -1.26 -4.99 105.19 106.61 1wwt n GLY 7 Ca -0.00 -2.05 -0.04 0.00 0.00 0.00 0.00 46.02 43.93 1wwt n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wwt n ASP 8 N 1.94 -3.07 -4.04 1.61 9.92 -1.26 -4.90 116.55 116.76 1wwt n ASP 8 Ca 0.25 1.24 -0.30 0.00 -0.53 0.00 0.00 54.79 55.45 1wwt n ASP 8 Cb 0.43 -4.34 0.11 0.00 -0.64 0.00 0.00 41.12 36.68 1wwt n ASP 8 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1wwt n SER 9 N 1.76 -2.67 -3.47 -2.24 2.88 -1.26 -5.04 113.62 103.58 1wwt n SER 9 Ca -0.27 -0.13 -0.11 0.00 -1.33 0.00 0.00 58.87 57.03 1wwt n SER 9 Cb 0.44 -0.74 -0.03 0.00 -0.75 0.00 0.00 64.21 63.13 1wwt n SER 9 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1wwt s LYS 10 N -2.87 1.06 -0.41 -1.46 0.00 -1.26 -4.94 119.74 109.85 1wwt s LYS 10 Ca 0.43 -0.29 -0.29 0.00 0.00 0.00 0.00 55.97 55.82 1wwt s LYS 10 Cb -0.02 0.49 0.01 0.00 0.00 0.00 0.00 37.83 38.31 1wwt s LYS 10 CO 0.57 -0.44 1.41 -1.25 0.00 0.00 0.00 175.35 175.64 1wwt s PRO 11 N -3.08 3.57 0.48 1.78 0.04 -1.26 -0.47 135.00 136.06 1wwt s PRO 11 Ca 0.01 0.94 0.07 0.00 0.04 0.00 0.00 61.00 62.06 1wwt s PRO 11 Cb -0.01 -4.03 0.01 0.00 0.04 0.00 0.00 34.50 30.52 1wwt s PRO 11 CO -0.08 -1.57 0.45 0.96 0.04 0.00 0.00 177.00 176.81 1wwt s ILE 12 N 5.44 2.32 -0.05 0.56 -4.36 0.53 -4.94 121.20 120.70 1wwt s ILE 12 Ca 0.61 -1.32 0.05 0.00 -0.26 0.00 0.00 60.65 59.73 1wwt s ILE 12 Cb -0.14 -2.64 -0.01 0.00 1.25 0.00 0.00 42.46 40.93 1wwt s ILE 12 CO 0.33 0.00 -0.20 -0.75 0.24 0.00 0.00 174.94 174.55 1wwt s LYS 13 N -4.26 2.09 -0.17 0.37 2.20 -1.26 -0.25 119.74 118.46 1wwt s LYS 13 Ca 0.47 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 55.35 1wwt s LYS 13 Cb -0.04 -1.80 0.03 0.00 -1.51 0.00 0.00 37.83 34.52 1wwt s LYS 13 CO 0.28 0.30 -0.11 0.08 -0.36 0.00 0.00 175.35 175.53 1wwt s VAL 14 N -0.04 1.51 -0.14 4.02 1.01 -0.49 -2.36 120.40 123.91 1wwt s VAL 14 Ca -0.04 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 1wwt s VAL 14 Cb -0.12 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1wwt s VAL 14 CO 0.03 0.30 0.61 -0.89 0.00 0.00 0.00 175.10 175.15 1wwt s THR 15 N 1.48 5.07 0.89 3.92 2.01 -1.16 -0.56 115.64 127.29 1wwt s THR 15 Ca 0.02 1.19 -0.10 0.00 0.31 0.00 0.00 61.69 63.11 1wwt s THR 15 Cb -0.14 -3.94 0.13 0.00 0.01 0.00 0.00 72.50 68.56 1wwt s THR 15 CO -0.09 0.20 1.13 -0.76 -0.69 0.00 0.00 174.62 174.41 1wwt s LEU 16 N 1.28 2.83 0.00 4.42 1.43 0.39 -1.33 118.68 127.70 1wwt s LEU 16 Ca 0.30 2.08 0.20 0.00 -1.03 0.00 0.00 54.13 55.68 1wwt s LEU 16 Cb -0.16 -4.51 1.18 0.00 0.03 0.00 0.00 46.19 42.72 1wwt s LEU 16 CO 0.12 -2.88 1.61 -0.81 0.23 0.00 0.00 176.35 174.63 1wwt n PRO 17 N -4.08 0.75 0.00 1.29 -0.04 -0.90 -1.82 135.00 130.20 1wwt n PRO 17 Ca 0.11 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1wwt n PRO 17 Cb 0.52 -1.41 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.91 0.82 0.00 3.54 8.00 -1.26 -4.98 116.55 121.76 1wwt n ASP 18 Ca 0.15 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.74 1wwt n ASP 18 Cb 0.07 0.95 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 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 1.35 1.44 3.43 0.44 0.00 -0.75 -5.09 105.19 106.01 1wwt n GLY 19 Ca 0.03 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1wwt n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wwt n LYS 20 N 0.00 -0.31 -4.43 1.61 4.81 -1.26 -4.54 118.16 114.04 1wwt n LYS 20 Ca 0.00 -0.05 -0.26 0.00 -0.87 0.00 0.00 58.31 57.13 1wwt n LYS 20 Cb 0.00 -1.89 -0.13 0.00 0.02 0.00 0.00 35.03 33.02 1wwt n LYS 20 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1wwt s GLN 21 N -3.71 1.28 0.16 1.64 -0.21 -1.26 0.15 119.66 117.71 1wwt s GLN 21 Ca 0.58 -1.15 -0.01 0.00 0.02 0.00 0.00 55.36 54.80 1wwt s GLN 21 Cb -0.21 -1.56 -0.04 0.00 1.00 0.00 0.00 33.01 32.19 1wwt s GLN 21 CO 0.67 0.38 0.07 0.08 -2.12 0.00 0.00 175.29 174.36 1wwt s VAL 22 N -1.04 0.17 -0.13 1.09 1.01 0.27 -4.89 120.40 116.89 1wwt s VAL 22 Ca 0.09 -1.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.08 1wwt s VAL 22 Cb -0.10 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1wwt s VAL 22 CO 0.04 -0.33 0.01 -0.62 0.00 0.00 0.00 175.10 174.20 1wwt s ASP 23 N -3.10 5.23 0.33 3.32 -1.08 -1.26 -1.40 116.67 118.71 1wwt s ASP 23 Ca 0.28 0.06 0.07 0.00 -0.52 0.00 0.00 52.55 52.44 1wwt s ASP 23 Cb 0.07 -1.70 -0.03 0.00 -1.46 0.00 0.00 42.92 39.80 1wwt s ASP 23 CO 0.05 0.27 0.30 0.00 0.52 0.00 0.00 175.17 176.30 1wwt s ALA 24 N -0.21 1.79 -0.01 3.66 0.00 0.65 -4.88 121.76 122.76 1wwt s ALA 24 Ca 0.05 -2.04 0.01 0.00 0.00 0.00 0.00 51.96 49.98 1wwt s ALA 24 Cb -0.12 1.46 0.00 0.00 0.00 0.00 0.00 23.12 24.46 1wwt s ALA 24 CO 0.02 -0.67 -0.03 -1.21 0.00 0.00 0.00 175.76 173.86 1wwt s GLU 25 N -3.40 0.37 0.18 0.00 2.02 -1.26 0.20 118.70 116.81 1wwt s GLU 25 Ca 0.40 -0.11 -0.32 0.00 0.02 0.00 0.00 54.97 54.97 1wwt s GLU 25 Cb 0.02 -0.40 -0.11 0.00 0.10 0.00 0.00 34.13 33.75 1wwt s GLU 25 CO 0.27 0.04 1.62 -1.54 0.02 0.00 0.00 175.26 175.67 1wwt s SER 26 N 0.18 6.52 -1.46 -0.19 1.04 0.38 -1.01 113.70 119.17 1wwt s SER 26 Ca -0.02 2.69 -0.10 0.00 0.48 0.00 0.00 55.95 59.01 1wwt s SER 26 Cb -0.05 -2.59 0.04 0.00 0.10 0.00 0.00 66.02 63.52 1wwt s SER 26 CO -0.00 -0.87 0.88 0.79 0.98 0.00 0.00 173.24 175.01 1wwt n TRP 27 N 4.00 -2.31 0.11 5.02 7.02 -1.06 -4.03 117.44 126.18 1wwt n TRP 27 Ca 0.14 0.78 0.00 0.00 -1.02 0.00 0.00 57.50 57.40 1wwt n TRP 27 Cb 0.37 -4.25 0.00 0.00 -2.42 0.00 0.00 31.31 25.02 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 -4.48 0.00 -4.10 -0.99 5.02 -0.54 -4.96 118.16 108.12 1wwt n LYS 28 Ca -0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.00 1wwt n LYS 28 Cb 0.56 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.51 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 -2.00 4.31 0.43 -0.18 2.01 -0.18 -4.94 115.64 115.10 1wwt s THR 29 Ca 0.00 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 61.00 1wwt s THR 29 Cb 0.00 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1wwt s THR 29 CO 0.00 -0.01 0.04 0.42 -0.69 0.00 0.00 174.62 174.37 1wwt s THR 30 N -1.59 1.31 -0.14 -0.82 -4.23 -1.26 -1.66 115.64 107.24 1wwt s THR 30 Ca 0.29 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.08 1wwt s THR 30 Cb -0.11 -2.55 0.35 0.00 1.34 0.00 0.00 72.50 71.52 1wwt s THR 30 CO 0.22 0.00 1.79 1.55 -0.54 0.00 0.00 174.62 177.63 1wwt h PRO 31 N 1.69 0.00 -0.09 3.99 0.13 -1.76 -2.70 132.00 133.27 1wwt h PRO 31 Ca -0.42 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.52 1wwt h PRO 31 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1wwt h PRO 31 CO 0.72 0.04 -0.76 -0.92 -0.23 0.00 0.00 178.00 176.85 1wwt h TYR 32 N 0.00 0.66 0.04 1.56 3.20 -1.88 -3.00 116.97 117.54 1wwt h TYR 32 Ca -0.00 -0.30 -0.00 0.00 3.14 0.00 0.00 58.73 61.57 1wwt h TYR 32 Cb 0.78 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1wwt h TYR 32 CO 0.00 1.07 -0.02 1.96 -1.64 0.00 0.00 178.16 179.53 1wwt h GLN 33 N 0.32 -0.05 -0.84 1.82 4.20 -1.83 -0.73 115.11 118.01 1wwt h GLN 33 Ca -0.04 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.88 1wwt h GLN 33 Cb 1.35 0.01 -0.15 0.00 0.30 0.00 0.00 27.48 28.99 1wwt h GLN 33 CO 0.14 0.60 0.02 0.82 -0.67 0.00 0.00 178.83 179.74 1wwt h ILE 34 N -0.79 0.24 0.22 2.54 2.04 -1.57 0.77 117.51 120.97 1wwt h ILE 34 Ca -0.01 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1wwt h ILE 34 Cb 0.67 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1wwt h ILE 34 CO 0.01 0.02 -0.11 0.00 0.00 0.00 0.00 178.15 178.07 1wwt h ALA 35 N 1.80 -0.30 -0.90 1.87 0.00 -1.57 -3.11 119.26 117.05 1wwt h ALA 35 Ca 0.48 -0.20 0.23 0.00 0.00 0.00 0.00 54.91 55.42 1wwt h ALA 35 Cb 0.90 0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.64 1wwt h ALA 35 CO -0.75 -0.44 0.04 0.00 0.00 0.00 0.00 179.25 178.11 1wwt h GLY 37 N 0.07 0.95 -1.13 0.00 0.00 0.52 -3.40 103.07 100.08 1wwt h GLY 37 Ca 0.53 0.21 -0.46 0.00 0.00 0.00 0.00 47.33 47.61 1wwt h GLY 37 CO -0.80 -0.41 0.06 -0.42 0.00 0.00 0.00 176.54 174.96 1wwt s ILE 38 N -6.12 2.04 -0.34 2.60 1.01 0.23 -4.75 121.20 115.86 1wwt s ILE 38 Ca -0.14 0.01 -0.43 0.00 0.00 0.00 0.00 60.65 60.09 1wwt s ILE 38 Cb 0.27 -2.07 -0.19 0.00 0.01 0.00 0.00 42.46 40.47 1wwt s ILE 38 CO 0.77 -0.02 1.39 -1.20 0.00 0.00 0.00 174.94 175.88 1wwt n SER 39 N -4.78 0.82 -4.68 3.58 7.64 -1.26 -4.67 113.62 110.28 1wwt n SER 39 Ca 0.05 1.13 -0.57 0.00 1.01 0.00 0.00 58.87 60.50 1wwt n SER 39 Cb 0.54 -0.86 -0.07 0.00 -1.01 0.00 0.00 64.21 62.81 1wwt n SER 39 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1wwt n GLN 40 N 3.14 1.07 0.00 1.43 -0.06 -1.26 -2.40 117.38 119.31 1wwt n GLN 40 Ca 0.27 0.39 0.00 0.00 -2.00 0.00 0.00 57.00 55.66 1wwt n GLN 40 Cb -0.02 -2.05 0.00 0.00 -4.06 0.00 0.00 30.24 24.11 1wwt n GLN 40 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1wwt n GLY 41 N 3.69 2.44 0.47 1.69 0.00 -1.26 -4.99 105.19 107.23 1wwt n GLY 41 Ca 0.24 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.13 -2.04 0.99 6.46 -1.78 -1.21 115.31 116.60 1wwt h LEU 42 Ca 0.00 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1wwt h LEU 42 Cb 0.00 0.34 -0.00 0.00 -0.73 0.00 0.00 40.66 40.27 1wwt h LEU 42 CO 0.00 -0.66 -0.09 0.00 -0.62 0.00 0.00 178.44 177.07 1wwt h ALA 43 N -0.83 1.44 -0.40 1.25 0.00 -1.83 -0.80 119.26 118.08 1wwt h ALA 43 Ca -0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1wwt h ALA 43 Cb 0.85 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1wwt h ALA 43 CO 0.05 0.11 0.19 0.22 0.00 0.00 0.00 179.25 179.83 1wwt h ASP 44 N 0.00 0.50 -2.28 0.00 3.58 -1.65 -2.78 116.42 113.79 1wwt h ASP 44 Ca -0.00 -0.04 -0.77 0.00 0.42 0.00 0.00 57.03 56.64 1wwt h ASP 44 Cb 0.22 -0.13 -0.29 0.00 1.72 0.00 0.00 39.33 40.85 1wwt h ASP 44 CO 0.01 0.43 0.76 -3.20 -2.88 0.00 0.00 179.24 174.36 1wwt n ASN 45 N -4.40 6.87 -4.23 2.28 5.15 -0.31 -4.97 115.26 115.65 1wwt n ASN 45 Ca 0.03 -3.68 -0.19 0.00 -0.60 0.00 0.00 54.58 50.14 1wwt n ASN 45 Cb 0.12 -1.07 -0.10 0.00 -0.53 0.00 0.00 39.78 38.20 1wwt n ASN 45 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1wwt s THR 46 N -4.30 0.61 0.00 -0.44 2.01 -1.05 -4.89 115.64 107.58 1wwt s THR 46 Ca 0.40 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.40 1wwt s THR 46 Cb 0.20 -2.60 0.00 0.00 0.01 0.00 0.00 72.50 70.11 1wwt s THR 46 CO -0.12 0.00 0.00 1.33 -0.69 0.00 0.00 174.62 175.14 1wwt n VAL 47 N -0.58 0.00 -4.92 3.82 0.24 -1.20 -4.95 118.33 110.74 1wwt n VAL 47 Ca -0.01 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 1wwt n VAL 47 Cb 0.66 -0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.86 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 0.00 1.87 -0.01 1.34 -1.09 -1.26 -4.82 121.20 117.23 1wwt s ILE 48 Ca 0.00 -0.89 -0.18 0.00 -2.23 0.00 0.00 60.65 57.34 1wwt s ILE 48 Cb 0.00 -1.64 -0.05 0.00 -1.58 0.00 0.00 42.46 39.18 1wwt s ILE 48 CO 0.00 0.52 0.51 0.00 -1.23 0.00 0.00 174.94 174.74 1wwt s ALA 49 N 0.57 3.56 -0.23 9.38 0.00 -1.04 -2.16 121.76 131.84 1wwt s ALA 49 Ca -0.14 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.62 1wwt s ALA 49 Cb -0.17 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.30 1wwt s ALA 49 CO 0.04 0.26 0.20 0.15 0.00 0.00 0.00 175.76 176.42 1wwt s LYS 50 N -0.44 4.10 -0.41 0.00 1.02 0.34 0.17 119.74 124.52 1wwt s LYS 50 Ca 0.27 -0.18 -0.04 0.00 0.02 0.00 0.00 55.97 56.05 1wwt s LYS 50 Cb -0.17 -3.53 0.11 0.00 -0.52 0.00 0.00 37.83 33.72 1wwt s LYS 50 CO 0.15 0.07 0.21 0.08 -0.92 0.00 0.00 175.35 174.94 1wwt s VAL 51 N 1.02 3.40 -0.01 3.17 1.01 0.35 -2.06 120.40 127.27 1wwt s VAL 51 Ca 0.10 -1.98 0.00 0.00 0.00 0.00 0.00 61.98 60.10 1wwt s VAL 51 Cb -0.13 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1wwt s VAL 51 CO 0.04 -0.67 0.00 -3.20 0.00 0.00 0.00 175.10 171.27 1wwt n ASN 52 N 4.64 -1.11 -0.42 3.32 2.85 -0.77 -3.09 115.26 120.69 1wwt n ASN 52 Ca -0.03 -0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.39 1wwt n ASN 52 Cb 0.41 -0.53 -0.01 0.00 1.24 0.00 0.00 39.78 40.89 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 1.97 -3.01 -4.06 1.20 5.15 -1.26 -4.97 115.26 110.27 1wwt n ASN 53 Ca -0.00 0.07 -0.21 0.00 -0.60 0.00 0.00 54.58 53.84 1wwt n ASN 53 Cb 0.48 -1.47 -0.15 0.00 -0.53 0.00 0.00 39.78 38.12 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 -2.19 0.94 0.11 3.44 -7.23 -1.18 -5.08 120.40 109.21 1wwt s VAL 54 Ca 0.00 -0.50 -0.35 0.00 -1.81 0.00 0.00 61.98 59.32 1wwt s VAL 54 Cb 0.00 -0.79 -0.15 0.00 0.56 0.00 0.00 36.38 36.00 1wwt s VAL 54 CO 0.00 0.27 1.50 0.52 -0.31 0.00 0.00 175.10 177.08 1wwt n VAL 55 N 2.88 0.03 -4.14 1.32 0.31 -1.26 0.13 118.33 117.59 1wwt n VAL 55 Ca -0.15 -0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.02 1wwt n VAL 55 Cb 0.56 -1.26 -0.12 0.00 -0.91 0.00 0.00 33.84 32.10 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 0.90 0.83 0.23 3.52 -0.11 0.44 -4.70 118.94 120.04 1wwt s TRP 56 Ca 0.82 -0.41 -0.20 0.00 1.22 0.00 0.00 56.10 57.53 1wwt s TRP 56 Cb -0.80 -0.49 -0.08 0.00 -1.50 0.00 0.00 33.47 30.60 1wwt s TRP 56 CO 0.42 -0.03 0.74 -0.51 -4.62 0.00 0.00 176.95 172.95 1wwt s ASP 57 N -1.32 7.08 0.32 5.86 1.01 -1.26 -2.51 116.67 125.85 1wwt s ASP 57 Ca -0.05 1.45 0.13 0.00 0.71 0.00 0.00 52.55 54.79 1wwt s ASP 57 Cb -0.08 -2.43 0.54 0.00 1.01 0.00 0.00 42.92 41.95 1wwt s ASP 57 CO 0.01 0.03 1.70 -0.07 0.21 0.00 0.00 175.17 177.05 1wwt h LEU 58 N 3.42 0.00 0.00 1.23 3.38 -1.90 -2.13 115.31 119.31 1wwt h LEU 58 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1wwt h LEU 58 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1wwt h LEU 58 CO 0.65 0.50 -0.26 -0.78 0.09 0.00 0.00 178.44 178.64 1wwt h ASP 59 N 0.00 0.00 -3.47 -0.43 1.82 -1.99 -3.30 116.42 109.05 1wwt h ASP 59 Ca -0.00 -0.08 -0.60 0.00 -0.39 0.00 0.00 57.03 55.95 1wwt h ASP 59 Cb 0.92 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 40.82 1wwt h ASP 59 CO 0.06 0.04 -0.16 -0.60 -1.61 0.00 0.00 179.24 176.97 1wwt s ARG 60 N -3.14 4.18 0.43 0.28 3.52 -0.80 -5.03 118.95 118.40 1wwt s ARG 60 Ca 0.09 0.25 -0.23 0.00 -0.13 0.00 0.00 55.73 55.71 1wwt s ARG 60 Cb 0.12 -3.54 -0.09 0.00 -1.56 0.00 0.00 34.95 29.89 1wwt s ARG 60 CO 0.65 -0.06 1.05 -1.25 -0.81 0.00 0.00 175.30 174.88 1wwt s PRO 61 N 1.36 4.04 1.12 5.12 0.04 -1.26 -4.34 135.00 141.08 1wwt s PRO 61 Ca 0.20 1.47 -0.16 0.00 0.04 0.00 0.00 61.00 62.55 1wwt s PRO 61 Cb -0.15 -2.39 0.21 0.00 0.04 0.00 0.00 34.50 32.21 1wwt s PRO 61 CO 0.08 -0.25 0.40 1.28 0.04 0.00 0.00 177.00 178.56 1wwt n LEU 62 N -0.37 -1.31 -0.02 -3.56 7.99 -0.67 -4.62 117.00 114.44 1wwt n LEU 62 Ca 0.06 -0.44 -0.03 0.00 -0.01 0.00 0.00 56.01 55.60 1wwt n LEU 62 Cb 0.50 -0.86 -0.02 0.00 -0.11 0.00 0.00 43.42 42.93 1wwt n LEU 62 CO 0.43 -3.50 -0.64 -0.62 -1.51 0.00 0.00 177.39 171.55 1wwt n GLU 63 N -2.72 1.33 -3.47 3.23 1.02 -1.26 -2.58 120.64 116.19 1wwt n GLU 63 Ca 0.06 0.02 0.01 0.00 -0.02 0.00 0.00 57.16 57.23 1wwt n GLU 63 Cb 0.45 -1.09 0.01 0.00 -0.02 0.00 0.00 31.44 30.79 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 -2.45 0.20 -1.27 3.49 0.28 -1.26 -4.61 120.64 115.01 1wwt n GLU 64 Ca -0.07 -0.69 -0.60 0.00 -0.16 0.00 0.00 57.16 55.64 1wwt n GLU 64 Cb 0.60 1.08 -0.12 0.00 1.43 0.00 0.00 31.44 34.43 1wwt n GLU 64 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1wwt n ASP 65 N -0.91 0.83 -3.15 -1.84 5.75 -1.26 -4.78 116.55 111.18 1wwt n ASP 65 Ca 0.03 0.69 -0.13 0.00 -0.01 0.00 0.00 54.79 55.36 1wwt n ASP 65 Cb 0.45 -0.92 -0.02 0.00 -1.03 0.00 0.00 41.12 39.60 1wwt n ASP 65 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wwt s THR 67 N -2.83 4.35 -0.11 0.00 -4.23 -1.26 -2.97 115.64 108.60 1wwt s THR 67 Ca 0.25 -0.47 -0.02 0.00 -1.18 0.00 0.00 61.69 60.27 1wwt s THR 67 Cb -0.02 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 1wwt s THR 67 CO 0.17 0.42 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.43 1wwt s LEU 68 N -1.47 3.42 -0.18 4.79 2.96 -0.44 -1.84 118.68 125.92 1wwt s LEU 68 Ca 0.19 0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1wwt s LEU 68 Cb -0.12 -1.79 0.09 0.00 0.50 0.00 0.00 46.19 44.87 1wwt s LEU 68 CO 0.10 0.31 0.25 -0.70 -1.32 0.00 0.00 176.35 174.98 1wwt s GLU 69 N -0.45 0.19 0.08 1.98 2.12 -0.88 -2.12 118.70 119.63 1wwt s GLU 69 Ca 0.08 0.40 -0.29 0.00 0.36 0.00 0.00 54.97 55.52 1wwt s GLU 69 Cb -0.12 -0.78 -0.05 0.00 0.26 0.00 0.00 34.13 33.43 1wwt s GLU 69 CO 0.02 -0.54 0.91 -0.51 -0.54 0.00 0.00 175.26 174.60 1wwt s LEU 70 N 2.37 4.47 0.31 2.70 2.01 -1.26 -0.50 118.68 128.78 1wwt s LEU 70 Ca 0.06 1.69 -0.07 0.00 0.01 0.00 0.00 54.13 55.82 1wwt s LEU 70 Cb -0.15 -3.49 -0.06 0.00 0.01 0.00 0.00 46.19 42.51 1wwt s LEU 70 CO -0.11 -0.06 0.60 -0.76 1.01 0.00 0.00 176.35 177.03 1wwt s LEU 71 N 0.08 4.02 0.11 1.79 1.02 -0.92 -4.99 118.68 119.79 1wwt s LEU 71 Ca 0.45 0.84 0.05 0.00 0.02 0.00 0.00 54.13 55.49 1wwt s LEU 71 Cb -0.22 -3.66 -0.22 0.00 0.02 0.00 0.00 46.19 42.10 1wwt s LEU 71 CO 0.28 -0.23 1.24 0.11 0.02 0.00 0.00 176.35 177.77 1wwt h LYS 72 N 1.68 0.04 0.00 1.70 6.56 -1.90 -3.17 116.57 121.48 1wwt h LYS 72 Ca -0.47 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.04 1wwt h LYS 72 Cb 1.19 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 1wwt h LYS 72 CO 0.66 1.02 0.00 0.34 -2.06 0.00 0.00 179.45 179.41 1wwt n PHE 73 N -3.37 0.00 -0.84 -1.35 7.35 -1.26 -4.78 117.46 113.21 1wwt n PHE 73 Ca -0.02 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.33 1wwt n PHE 73 Cb 0.96 0.00 0.10 0.00 0.35 0.00 0.00 39.48 40.89 1wwt n PHE 73 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1wwt n GLU 74 N -0.42 -0.52 -3.09 -4.13 1.02 -1.26 -5.01 120.64 107.24 1wwt n GLU 74 Ca 0.00 -0.13 0.01 0.00 -0.02 0.00 0.00 57.16 57.02 1wwt n GLU 74 Cb 0.00 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 29.94 1wwt n GLU 74 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1wwt s ASP 75 N -1.57 -1.21 -0.31 1.62 1.01 -1.26 -5.00 116.67 109.94 1wwt s ASP 75 Ca 0.49 -0.60 -0.00 0.00 0.71 0.00 0.00 52.55 53.15 1wwt s ASP 75 Cb -0.13 1.55 0.00 0.00 1.01 0.00 0.00 42.92 45.35 1wwt s ASP 75 CO 0.71 -0.13 0.30 1.21 0.21 0.00 0.00 175.17 177.46 1wwt n GLU 76 N 4.24 -0.60 -3.59 8.23 2.13 -1.26 -5.08 120.64 124.71 1wwt n GLU 76 Ca 0.09 0.95 -0.09 0.00 0.66 0.00 0.00 57.16 58.78 1wwt n GLU 76 Cb 0.59 -3.36 -0.05 0.00 0.27 0.00 0.00 31.44 28.89 1wwt n GLU 76 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1wwt s GLU 77 N -2.92 0.51 0.19 5.31 2.12 -1.26 -5.19 118.70 117.46 1wwt s GLU 77 Ca 0.01 0.09 -0.15 0.00 0.36 0.00 0.00 54.97 55.28 1wwt s GLU 77 Cb -0.00 0.24 0.02 0.00 0.26 0.00 0.00 34.13 34.64 1wwt s GLU 77 CO 0.33 -0.16 0.47 0.00 -0.54 0.00 0.00 175.26 175.35 1wwt s ALA 78 N -1.23 -0.70 0.00 6.30 0.00 -1.26 -4.95 121.76 119.93 1wwt s ALA 78 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1wwt s ALA 78 Cb -0.01 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.97 1wwt s ALA 78 CO -0.01 -0.77 0.00 0.94 0.00 0.00 0.00 175.76 175.92 1wwt n GLN 79 N -0.31 0.00 -2.44 0.00 7.27 -1.26 -4.80 117.38 115.84 1wwt n GLN 79 Ca -0.09 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.59 1wwt n GLN 79 Cb 0.62 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 33.24 1wwt n GLN 79 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wwt s ALA 80 N 0.00 2.51 -0.15 1.69 0.00 -1.26 -4.86 121.76 119.69 1wwt s ALA 80 Ca 0.00 -1.79 -0.31 0.00 0.00 0.00 0.00 51.96 49.85 1wwt s ALA 80 Cb 0.00 -4.45 0.13 0.00 0.00 0.00 0.00 23.12 18.81 1wwt s ALA 80 CO 0.00 -3.75 1.10 0.54 0.00 0.00 0.00 175.76 173.65 1wwt s VAL 81 N 6.29 0.00 1.04 0.00 0.11 -1.26 -5.07 120.40 121.51 1wwt s VAL 81 Ca 0.49 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.32 1wwt s VAL 81 Cb -0.04 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.75 1wwt s VAL 81 CO 0.00 0.00 -0.73 0.00 -3.33 0.00 0.00 175.10 171.04 1wwt n TYR 82 N 0.18 -1.81 -4.23 1.54 0.18 -1.26 -5.00 117.16 106.77 1wwt n TYR 82 Ca -0.05 0.36 -0.23 0.00 1.88 0.00 0.00 57.90 59.86 1wwt n TYR 82 Cb 0.59 -1.49 -0.17 0.00 -0.38 0.00 0.00 39.34 37.90 1wwt n TYR 82 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1wwt s SER 83 N -1.40 1.50 -0.52 9.48 1.04 -1.26 -5.08 113.70 117.47 1wwt s SER 83 Ca 0.46 -0.21 -0.33 0.00 0.48 0.00 0.00 55.95 56.34 1wwt s SER 83 Cb -0.04 -0.64 -0.13 0.00 0.10 0.00 0.00 66.02 65.31 1wwt s SER 83 CO 0.68 -0.05 2.34 0.61 0.98 0.00 0.00 173.24 177.80 1wwt n GLY 84 N 4.22 0.19 3.77 7.32 0.00 -1.26 -4.91 105.19 114.52 1wwt n GLY 84 Ca -0.20 0.93 -0.30 0.00 0.00 0.00 0.00 46.02 46.45 1wwt n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwt s PRO 85 N 7.20 0.08 0.50 1.61 0.04 -1.26 -5.00 135.00 138.17 1wwt s PRO 85 Ca 1.13 -0.11 -0.22 0.00 0.04 0.00 0.00 61.00 61.84 1wwt s PRO 85 Cb -0.84 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 31.89 1wwt s PRO 85 CO 0.45 -2.84 1.22 -1.54 0.04 0.00 0.00 177.00 174.34 1wwt s SER 86 N -4.31 5.78 -0.30 6.66 1.04 -1.26 -4.26 113.70 117.05 1wwt s SER 86 Ca 0.70 2.44 -0.08 0.00 0.48 0.00 0.00 55.95 59.49 1wwt s SER 86 Cb -0.09 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.43 1wwt s SER 86 CO 0.54 -1.19 0.31 -1.20 0.98 0.00 0.00 173.24 172.68 1wwt n SER 87 N -0.81 -6.61 0.00 7.02 7.64 -1.26 -5.30 113.62 114.30 1wwt n SER 87 Ca 0.09 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.61 1wwt n SER 87 Cb 0.47 -4.38 0.00 0.00 -1.01 0.00 0.00 64.21 59.30 1wwt n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64