#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 1.55 -2.58 1.61 2.88 -1.26 -5.09 113.62 110.72 1wwt n SER 2 Ca 0.00 0.24 -0.04 0.00 -1.33 0.00 0.00 58.87 57.74 1wwt n SER 2 Cb 0.00 -0.56 0.01 0.00 -0.75 0.00 0.00 64.21 62.90 1wwt n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wwt n SER 3 N -4.02 -7.00 -4.67 -3.46 7.64 -1.26 -5.02 113.62 95.83 1wwt n SER 3 Ca -0.10 0.73 -0.35 0.00 1.01 0.00 0.00 58.87 60.15 1wwt n SER 3 Cb 0.34 -4.66 -0.10 0.00 -1.01 0.00 0.00 64.21 58.79 1wwt n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wwt s GLY 4 N -1.98 1.87 -0.06 0.23 0.00 -1.26 -5.04 107.32 101.07 1wwt s GLY 4 Ca 0.13 -0.79 -0.04 0.00 0.00 0.00 0.00 44.72 44.03 1wwt s GLY 4 CO 0.65 -0.42 0.17 0.23 0.00 0.00 0.00 173.10 173.73 1wwt h SER 5 N 5.51 -0.11 0.63 1.64 0.87 -2.05 -3.38 113.55 116.67 1wwt h SER 5 Ca -0.47 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.07 1wwt h SER 5 Cb 1.19 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 1wwt h SER 5 CO 0.58 0.26 -0.44 0.28 -0.53 0.00 0.00 176.83 176.98 1wwt h SER 6 N -0.81 -1.13 0.00 6.23 0.02 -2.05 -3.48 113.55 112.32 1wwt h SER 6 Ca -0.01 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1wwt h SER 6 Cb 0.10 0.34 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1wwt h SER 6 CO 0.02 -0.65 0.00 0.61 -1.14 0.00 0.00 176.83 175.67 1wwt n GLY 7 N -1.56 1.89 2.94 -3.77 0.00 -1.26 -5.16 105.19 98.27 1wwt n GLY 7 Ca -0.13 -1.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.68 1wwt n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wwt s ASP 8 N 0.00 0.70 1.07 1.61 1.11 -1.26 -4.89 116.67 115.01 1wwt s ASP 8 Ca 0.00 -0.10 -0.17 0.00 0.18 0.00 0.00 52.55 52.45 1wwt s ASP 8 Cb 0.00 -0.16 0.24 0.00 1.07 0.00 0.00 42.92 44.07 1wwt s ASP 8 CO 0.00 0.03 1.23 -0.94 1.18 0.00 0.00 175.17 176.67 1wwt s SER 9 N 0.16 2.14 0.08 0.27 1.04 -1.26 -5.05 113.70 111.08 1wwt s SER 9 Ca -0.02 0.42 -0.26 0.00 0.48 0.00 0.00 55.95 56.58 1wwt s SER 9 Cb -0.06 -0.55 0.08 0.00 0.10 0.00 0.00 66.02 65.59 1wwt s SER 9 CO -0.00 -3.35 0.69 -1.59 0.98 0.00 0.00 173.24 169.96 1wwt s LYS 10 N -5.68 1.12 -0.37 4.02 -2.85 -1.26 -4.95 119.74 109.77 1wwt s LYS 10 Ca 0.73 -0.30 -0.29 0.00 -1.00 0.00 0.00 55.97 55.11 1wwt s LYS 10 Cb -0.06 0.52 0.01 0.00 -2.06 0.00 0.00 37.83 36.23 1wwt s LYS 10 CO 0.54 -0.47 1.39 -1.25 0.10 0.00 0.00 175.35 175.66 1wwt s PRO 11 N -3.12 3.69 0.38 1.78 0.04 -1.26 -0.81 135.00 135.69 1wwt s PRO 11 Ca -0.00 1.06 0.08 0.00 0.04 0.00 0.00 61.00 62.18 1wwt s PRO 11 Cb -0.01 -3.98 -0.03 0.00 0.04 0.00 0.00 34.50 30.52 1wwt s PRO 11 CO -0.08 -1.42 0.29 0.96 0.04 0.00 0.00 177.00 176.79 1wwt s ILE 12 N 5.10 2.86 -0.11 0.56 -4.36 0.56 -4.94 121.20 120.88 1wwt s ILE 12 Ca 0.60 -1.46 0.04 0.00 -0.26 0.00 0.00 60.65 59.56 1wwt s ILE 12 Cb -0.15 -3.04 0.00 0.00 1.25 0.00 0.00 42.46 40.52 1wwt s ILE 12 CO 0.30 -0.07 -0.23 -0.54 0.24 0.00 0.00 174.94 174.63 1wwt s LYS 13 N -4.02 3.06 -0.23 0.37 -0.14 -1.26 -1.03 119.74 116.49 1wwt s LYS 13 Ca 0.44 -0.87 0.02 0.00 -1.36 0.00 0.00 55.97 54.20 1wwt s LYS 13 Cb -0.03 -2.33 0.05 0.00 -1.68 0.00 0.00 37.83 33.85 1wwt s LYS 13 CO 0.26 0.16 -0.13 0.08 -0.76 0.00 0.00 175.35 174.96 1wwt s VAL 14 N 0.40 2.03 -0.05 3.17 1.01 -0.85 -2.52 120.40 123.58 1wwt s VAL 14 Ca -0.17 -1.36 -0.24 0.00 0.00 0.00 0.00 61.98 60.20 1wwt s VAL 14 Cb -0.18 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1wwt s VAL 14 CO 0.08 0.12 0.74 -0.89 0.00 0.00 0.00 175.10 175.15 1wwt s THR 15 N 1.21 5.00 0.84 3.92 2.01 -1.20 -0.48 115.64 126.93 1wwt s THR 15 Ca -0.04 1.54 -0.11 0.00 0.31 0.00 0.00 61.69 63.39 1wwt s THR 15 Cb -0.18 -4.08 0.10 0.00 0.01 0.00 0.00 72.50 68.35 1wwt s THR 15 CO -0.07 0.25 1.11 -0.76 -0.69 0.00 0.00 174.62 174.45 1wwt s LEU 16 N 0.76 2.83 0.00 4.42 1.43 0.28 -1.98 118.68 126.43 1wwt s LEU 16 Ca 0.39 1.88 0.19 0.00 -1.03 0.00 0.00 54.13 55.57 1wwt s LEU 16 Cb -0.18 -4.43 1.15 0.00 0.03 0.00 0.00 46.19 42.76 1wwt s LEU 16 CO 0.20 -2.48 1.59 -0.81 0.23 0.00 0.00 176.35 175.08 1wwt n PRO 17 N -3.81 0.75 -0.00 1.29 -0.04 -0.79 -1.85 135.00 130.54 1wwt n PRO 17 Ca 0.09 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.63 1wwt n PRO 17 Cb 0.53 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.90 0.84 0.00 3.54 2.03 -1.26 -4.98 116.55 115.82 1wwt n ASP 18 Ca 0.14 -0.71 0.00 0.00 0.52 0.00 0.00 54.79 54.74 1wwt n ASP 18 Cb 0.07 1.16 0.00 0.00 -0.72 0.00 0.00 41.12 41.62 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 1.42 1.25 3.41 0.27 0.00 -0.77 -5.09 105.19 105.67 1wwt n GLY 19 Ca 0.02 -0.24 -0.33 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 -0.62 -4.55 1.61 4.76 -1.26 -4.55 118.16 113.54 1wwt n LYS 20 Ca 0.00 -0.14 -0.27 0.00 -2.87 0.00 0.00 58.31 55.02 1wwt n LYS 20 Cb 0.00 -1.88 -0.14 0.00 -1.84 0.00 0.00 35.03 31.18 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 -3.71 1.44 0.24 1.97 -0.21 -1.26 0.10 119.66 118.23 1wwt s GLN 21 Ca 0.58 -1.16 0.03 0.00 0.02 0.00 0.00 55.36 54.83 1wwt s GLN 21 Cb -0.20 -1.72 -0.05 0.00 1.00 0.00 0.00 33.01 32.04 1wwt s GLN 21 CO 0.66 0.42 0.02 0.08 -2.12 0.00 0.00 175.29 174.35 1wwt s VAL 22 N -0.96 0.95 -0.17 1.09 1.01 0.36 -4.88 120.40 117.80 1wwt s VAL 22 Ca 0.10 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.06 1wwt s VAL 22 Cb -0.10 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1wwt s VAL 22 CO 0.04 -0.26 -0.16 -1.81 0.00 0.00 0.00 175.10 172.91 1wwt s ASP 23 N -3.31 3.55 0.33 3.32 1.01 -1.26 -2.00 116.67 118.31 1wwt s ASP 23 Ca 0.30 -0.52 0.07 0.00 0.71 0.00 0.00 52.55 53.12 1wwt s ASP 23 Cb 0.06 -1.55 -0.03 0.00 1.01 0.00 0.00 42.92 42.41 1wwt s ASP 23 CO 0.10 0.05 0.28 0.00 0.21 0.00 0.00 175.17 175.80 1wwt s ALA 24 N 1.02 1.89 0.01 5.23 0.00 -0.20 -4.95 121.76 124.77 1wwt s ALA 24 Ca -0.01 -2.06 0.03 0.00 0.00 0.00 0.00 51.96 49.92 1wwt s ALA 24 Cb -0.15 1.47 -0.01 0.00 0.00 0.00 0.00 23.12 24.43 1wwt s ALA 24 CO -0.04 -0.66 -0.11 -1.21 0.00 0.00 0.00 175.76 173.75 1wwt s GLU 25 N -3.45 0.80 0.32 0.00 2.02 -1.26 0.21 118.70 117.34 1wwt s GLU 25 Ca 0.40 -0.51 -0.29 0.00 0.02 0.00 0.00 54.97 54.59 1wwt s GLU 25 Cb 0.02 -0.77 -0.11 0.00 0.10 0.00 0.00 34.13 33.38 1wwt s GLU 25 CO 0.28 0.20 1.52 -1.54 0.02 0.00 0.00 175.26 175.74 1wwt s SER 26 N -0.63 6.41 -1.80 -0.19 1.04 0.01 -0.71 113.70 117.83 1wwt s SER 26 Ca 0.02 2.94 0.00 0.00 0.48 0.00 0.00 55.95 59.39 1wwt s SER 26 Cb -0.06 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1wwt s SER 26 CO 0.00 -0.86 0.00 0.79 0.98 0.00 0.00 173.24 174.16 1wwt n TRP 27 N 1.51 -0.32 0.00 5.02 7.02 -0.82 -4.20 117.44 125.65 1wwt n TRP 27 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 1wwt n TRP 27 Cb 0.39 -3.15 0.00 0.00 -2.42 0.00 0.00 31.31 26.13 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 -2.28 0.00 -1.97 -0.99 5.02 0.12 -5.00 118.16 113.05 1wwt n LYS 28 Ca -0.18 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.81 1wwt n LYS 28 Cb 0.59 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.62 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 -0.13 4.18 0.32 -0.18 2.01 -0.27 -4.94 115.64 116.63 1wwt s THR 29 Ca 0.00 0.61 0.05 0.00 0.31 0.00 0.00 61.69 62.66 1wwt s THR 29 Cb 0.00 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 1wwt s THR 29 CO 0.00 -0.88 0.03 0.42 -0.69 0.00 0.00 174.62 173.50 1wwt s THR 30 N -3.20 1.37 -0.15 -0.82 -4.23 -1.26 -2.71 115.64 104.63 1wwt s THR 30 Ca 0.56 -2.02 0.28 0.00 -1.18 0.00 0.00 61.69 59.32 1wwt s THR 30 Cb -0.11 -2.74 0.36 0.00 1.34 0.00 0.00 72.50 71.35 1wwt s THR 30 CO 0.52 -0.07 1.80 1.55 -0.54 0.00 0.00 174.62 177.87 1wwt h PRO 31 N 2.12 0.00 0.12 3.99 0.13 -1.78 -2.65 132.00 133.93 1wwt h PRO 31 Ca -0.41 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.45 1wwt h PRO 31 Cb 1.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.38 1wwt h PRO 31 CO 0.70 0.01 -1.23 -0.92 -0.23 0.00 0.00 178.00 176.34 1wwt h TYR 32 N 0.00 0.51 0.06 1.56 3.20 -1.87 -3.28 116.97 117.15 1wwt h TYR 32 Ca -0.00 -0.37 -0.00 0.00 3.14 0.00 0.00 58.73 61.50 1wwt h TYR 32 Cb 0.76 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.01 1wwt h TYR 32 CO 0.00 1.28 -0.03 1.96 -1.64 0.00 0.00 178.16 179.73 1wwt h GLN 33 N 0.09 -0.07 -0.29 1.82 4.20 -1.83 -3.05 115.11 115.97 1wwt h GLN 33 Ca -0.13 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.61 1wwt h GLN 33 Cb 1.95 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.71 1wwt h GLN 33 CO 0.20 0.45 -0.18 0.82 -0.67 0.00 0.00 178.83 179.45 1wwt h ILE 34 N -0.65 0.00 -0.44 2.54 2.04 -1.60 0.78 117.51 120.19 1wwt h ILE 34 Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1wwt h ILE 34 Cb 0.56 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 1wwt h ILE 34 CO 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 178.15 177.85 1wwt h ALA 35 N -0.57 -0.37 -0.94 1.87 0.00 -1.67 1.01 119.26 118.60 1wwt h ALA 35 Ca 0.05 0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.29 1wwt h ALA 35 Cb 0.13 1.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.88 1wwt h ALA 35 CO -0.28 -0.57 0.28 0.00 0.00 0.00 0.00 179.25 178.68 1wwt h GLY 37 N 0.13 -0.95 0.00 0.00 0.00 0.77 -2.75 103.07 100.27 1wwt h GLY 37 Ca 0.64 0.69 0.00 0.00 0.00 0.00 0.00 47.33 48.66 1wwt h GLY 37 CO -0.74 -0.13 0.00 1.39 0.00 0.00 0.00 176.54 177.06 1wwt n ILE 38 N -5.39 0.00 -3.61 2.60 -0.00 0.76 -4.80 119.36 108.92 1wwt n ILE 38 Ca -0.03 1.34 -0.13 0.00 -0.00 0.00 0.00 62.75 63.93 1wwt n ILE 38 Cb 0.35 -1.87 -0.07 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 -2.93 -0.61 -0.32 4.38 0.15 -1.04 -5.10 113.70 108.23 1wwt s SER 39 Ca 0.00 1.09 -0.29 0.00 0.70 0.00 0.00 55.95 57.45 1wwt s SER 39 Cb 0.00 1.07 -0.07 0.00 -1.71 0.00 0.00 66.02 65.31 1wwt s SER 39 CO 0.00 -0.27 2.27 1.67 1.20 0.00 0.00 173.24 178.11 1wwt n GLN 40 N 2.16 1.54 0.00 5.44 7.27 -1.25 -2.26 117.38 130.28 1wwt n GLN 40 Ca -0.14 0.36 0.00 0.00 0.07 0.00 0.00 57.00 57.30 1wwt n GLN 40 Cb 0.56 -3.06 0.00 0.00 2.41 0.00 0.00 30.24 30.15 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 6.02 2.62 0.07 1.69 0.00 -1.26 -4.98 105.19 109.34 1wwt n GLY 41 Ca 0.35 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.06 -1.31 0.99 6.46 -1.75 -1.98 115.31 117.66 1wwt h LEU 42 Ca 0.00 -0.19 -0.06 0.00 -0.12 0.00 0.00 57.88 57.51 1wwt h LEU 42 Cb 0.00 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 1wwt h LEU 42 CO 0.00 0.15 -0.22 0.00 -0.62 0.00 0.00 178.44 177.75 1wwt h ALA 43 N 0.66 1.43 -0.13 1.25 0.00 -1.80 -1.59 119.26 119.07 1wwt h ALA 43 Ca -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1wwt h ALA 43 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1wwt h ALA 43 CO 0.01 0.40 0.04 0.22 0.00 0.00 0.00 179.25 179.93 1wwt h ASP 44 N 0.17 0.16 -2.50 0.00 3.58 -1.82 -2.89 116.42 113.12 1wwt h ASP 44 Ca 0.03 -0.01 -0.74 0.00 0.42 0.00 0.00 57.03 56.73 1wwt h ASP 44 Cb 0.50 -0.04 -0.32 0.00 1.72 0.00 0.00 39.33 41.18 1wwt h ASP 44 CO 0.03 0.16 0.43 0.59 -2.88 0.00 0.00 179.24 177.58 1wwt n ASN 45 N -4.47 6.01 -3.86 2.28 3.02 -0.60 -4.97 115.26 112.67 1wwt n ASN 45 Ca -0.01 -3.55 -0.13 0.00 -0.03 0.00 0.00 54.58 50.87 1wwt n ASN 45 Cb 0.12 -1.04 -0.14 0.00 -0.61 0.00 0.00 39.78 38.11 1wwt n ASN 45 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wwt s THR 46 N -3.47 0.01 -0.08 3.41 2.01 -1.09 -4.82 115.64 111.61 1wwt s THR 46 Ca 0.38 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.36 1wwt s THR 46 Cb 0.14 -0.04 -0.03 0.00 0.01 0.00 0.00 72.50 72.58 1wwt s THR 46 CO -0.02 0.02 -0.10 0.55 -0.69 0.00 0.00 174.62 174.38 1wwt n VAL 47 N 3.22 0.42 -3.71 3.82 3.14 0.15 -4.98 118.33 120.39 1wwt n VAL 47 Ca -0.14 -0.11 -0.11 0.00 -2.96 0.00 0.00 64.34 61.02 1wwt n VAL 47 Cb 0.59 -1.57 -0.11 0.00 -1.06 0.00 0.00 33.84 31.68 1wwt n VAL 47 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1wwt s ILE 48 N -2.14 -0.03 -0.10 1.55 -1.09 -1.24 -4.94 121.20 113.21 1wwt s ILE 48 Ca -0.11 0.10 -0.15 0.00 -2.23 0.00 0.00 60.65 58.27 1wwt s ILE 48 Cb 0.04 -0.53 -0.05 0.00 -1.58 0.00 0.00 42.46 40.34 1wwt s ILE 48 CO 0.14 0.04 0.38 0.00 -1.23 0.00 0.00 174.94 174.27 1wwt s ALA 49 N 1.29 3.60 -0.16 9.38 0.00 -1.10 -0.02 121.76 134.74 1wwt s ALA 49 Ca -0.09 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 51.45 1wwt s ALA 49 Cb -0.09 -2.45 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 1wwt s ALA 49 CO -0.11 0.20 0.19 0.15 0.00 0.00 0.00 175.76 176.19 1wwt s LYS 50 N 0.01 4.04 -0.38 0.00 1.02 -0.56 0.19 119.74 124.06 1wwt s LYS 50 Ca 0.21 -0.09 0.04 0.00 0.02 0.00 0.00 55.97 56.15 1wwt s LYS 50 Cb -0.15 -3.37 0.11 0.00 -0.52 0.00 0.00 37.83 33.91 1wwt s LYS 50 CO 0.09 0.40 0.10 0.08 -0.92 0.00 0.00 175.35 175.09 1wwt s VAL 51 N 0.04 2.33 -0.06 3.17 1.01 0.34 -2.64 120.40 124.57 1wwt s VAL 51 Ca 0.12 -2.55 -0.00 0.00 0.00 0.00 0.00 61.98 59.55 1wwt s VAL 51 Cb -0.12 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1wwt s VAL 51 CO 0.01 -0.65 0.02 -3.20 0.00 0.00 0.00 175.10 171.29 1wwt n ASN 52 N 4.01 -1.69 -0.83 3.32 2.85 -1.21 -3.11 115.26 118.59 1wwt n ASN 52 Ca 0.04 -0.01 -0.09 0.00 -0.11 0.00 0.00 54.58 54.41 1wwt n ASN 52 Cb 0.40 -0.68 -0.03 0.00 1.24 0.00 0.00 39.78 40.71 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 1.57 -3.83 -3.99 1.20 3.02 -1.26 -4.96 115.26 107.01 1wwt n ASN 53 Ca -0.00 0.15 -0.22 0.00 -0.03 0.00 0.00 54.58 54.48 1wwt n ASN 53 Cb 0.51 -2.46 -0.16 0.00 -0.61 0.00 0.00 39.78 37.05 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 -2.39 0.85 0.13 2.41 -7.23 -1.18 -5.10 120.40 107.89 1wwt s VAL 54 Ca 0.00 -0.35 -0.35 0.00 -1.81 0.00 0.00 61.98 59.47 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 0.28 1.23 0.52 -0.31 0.00 0.00 175.10 176.82 1wwt n VAL 55 N 3.62 0.46 -4.07 1.32 0.31 -1.26 0.13 118.33 118.84 1wwt n VAL 55 Ca -0.21 -0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 63.87 1wwt n VAL 55 Cb 0.53 -0.78 -0.11 0.00 -0.91 0.00 0.00 33.84 32.56 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 0.11 0.67 0.43 3.52 -0.11 0.50 -4.67 118.94 119.40 1wwt s TRP 56 Ca 0.79 -0.53 -0.13 0.00 1.22 0.00 0.00 56.10 57.45 1wwt s TRP 56 Cb -0.92 -0.40 -0.07 0.00 -1.50 0.00 0.00 33.47 30.58 1wwt s TRP 56 CO 0.50 -0.09 0.83 -0.51 -4.62 0.00 0.00 176.95 173.06 1wwt s ASP 57 N -1.67 6.58 0.34 5.86 1.01 -1.26 -2.72 116.67 124.80 1wwt s ASP 57 Ca -0.09 1.28 0.23 0.00 0.71 0.00 0.00 52.55 54.68 1wwt s ASP 57 Cb -0.09 -2.38 0.32 0.00 1.01 0.00 0.00 42.92 41.78 1wwt s ASP 57 CO 0.00 -0.43 1.48 -0.07 0.21 0.00 0.00 175.17 176.36 1wwt h LEU 58 N 1.27 0.00 0.00 1.23 3.38 -1.94 -3.15 115.31 116.10 1wwt h LEU 58 Ca -0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.48 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 0.63 0.01 -1.22 -0.67 0.09 0.00 0.00 178.44 177.28 1wwt n ASP 59 N -2.83 0.58 -4.70 -0.43 2.03 -1.26 -3.86 116.55 106.09 1wwt n ASP 59 Ca 0.03 0.08 -0.39 0.00 0.52 0.00 0.00 54.79 55.03 1wwt n ASP 59 Cb 0.52 0.89 -0.06 0.00 -0.72 0.00 0.00 41.12 41.75 1wwt n ASP 59 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1wwt s ARG 60 N -3.34 4.30 0.42 -0.67 3.52 -1.19 -5.05 118.95 116.94 1wwt s ARG 60 Ca -0.01 0.56 -0.23 0.00 -0.13 0.00 0.00 55.73 55.92 1wwt s ARG 60 Cb 0.12 -3.49 -0.09 0.00 -1.56 0.00 0.00 34.95 29.93 1wwt s ARG 60 CO 0.82 0.00 1.05 -1.25 -0.81 0.00 0.00 175.30 175.11 1wwt s PRO 61 N 1.11 4.06 1.19 5.12 0.04 -1.26 -4.41 135.00 140.86 1wwt s PRO 61 Ca 0.28 1.49 -0.18 0.00 0.04 0.00 0.00 61.00 62.63 1wwt s PRO 61 Cb -0.16 -2.43 0.22 0.00 0.04 0.00 0.00 34.50 32.18 1wwt s PRO 61 CO 0.12 -0.22 0.48 1.28 0.04 0.00 0.00 177.00 178.69 1wwt n LEU 62 N -0.30 -1.63 -0.04 -3.56 7.99 -1.10 -4.62 117.00 113.74 1wwt n LEU 62 Ca 0.06 -0.36 -0.06 0.00 -0.01 0.00 0.00 56.01 55.64 1wwt n LEU 62 Cb 0.50 -0.99 -0.04 0.00 -0.11 0.00 0.00 43.42 42.78 1wwt n LEU 62 CO 0.44 -3.51 -0.78 -0.62 -1.51 0.00 0.00 177.39 171.41 1wwt n GLU 63 N -3.47 0.57 -3.27 3.23 1.02 -1.26 -1.94 120.64 115.52 1wwt n GLU 63 Ca 0.05 0.04 -0.01 0.00 -0.02 0.00 0.00 57.16 57.22 1wwt n GLU 63 Cb 0.54 -1.18 0.01 0.00 -0.02 0.00 0.00 31.44 30.80 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 -2.69 0.41 -1.47 3.49 0.28 -1.26 -4.61 120.64 114.80 1wwt n GLU 64 Ca -0.15 -0.99 -0.57 0.00 -0.16 0.00 0.00 57.16 55.29 1wwt n GLU 64 Cb 0.67 1.38 -0.09 0.00 1.43 0.00 0.00 31.44 34.83 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 -1.06 1.65 -2.37 -1.84 9.92 -1.26 -4.80 116.55 116.78 1wwt n ASP 65 Ca -0.01 0.72 -0.09 0.00 -0.53 0.00 0.00 54.79 54.88 1wwt n ASP 65 Cb 0.43 -1.08 -0.01 0.00 -0.64 0.00 0.00 41.12 39.82 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 2.88 -0.05 0.00 -4.23 -1.26 -3.27 115.64 107.11 1wwt s THR 67 Ca 0.18 -0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 59.75 1wwt s THR 67 Cb -0.02 -2.96 0.03 0.00 1.34 0.00 0.00 72.50 70.90 1wwt s THR 67 CO 0.13 0.00 0.08 -0.22 -0.54 0.00 0.00 174.62 174.07 1wwt s LEU 68 N -4.47 0.44 -0.18 4.79 2.96 -0.84 -3.29 118.68 118.10 1wwt s LEU 68 Ca 0.56 0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 54.57 1wwt s LEU 68 Cb -0.10 0.03 0.06 0.00 0.50 0.00 0.00 46.19 46.69 1wwt s LEU 68 CO 0.35 -0.20 0.09 -0.70 -1.32 0.00 0.00 176.35 174.57 1wwt s GLU 69 N 1.75 0.09 -0.05 1.98 2.12 -1.08 -1.89 118.70 121.62 1wwt s GLU 69 Ca -0.01 -0.12 -0.30 0.00 0.36 0.00 0.00 54.97 54.90 1wwt s GLU 69 Cb -0.12 -1.80 -0.03 0.00 0.26 0.00 0.00 34.13 32.43 1wwt s GLU 69 CO -0.04 -0.69 1.20 -0.51 -0.54 0.00 0.00 175.26 174.68 1wwt s LEU 70 N 2.13 4.28 0.33 2.70 2.01 -1.26 -1.50 118.68 127.37 1wwt s LEU 70 Ca 0.02 1.82 -0.08 0.00 0.01 0.00 0.00 54.13 55.90 1wwt s LEU 70 Cb -0.16 -3.56 -0.06 0.00 0.01 0.00 0.00 46.19 42.42 1wwt s LEU 70 CO -0.10 -0.57 0.64 -0.76 1.01 0.00 0.00 176.35 176.57 1wwt s LEU 71 N 2.15 3.98 -0.10 1.79 1.02 0.97 -4.91 118.68 123.58 1wwt s LEU 71 Ca 0.56 0.91 0.13 0.00 0.02 0.00 0.00 54.13 55.75 1wwt s LEU 71 Cb -0.25 -3.75 -0.24 0.00 0.02 0.00 0.00 46.19 41.98 1wwt s LEU 71 CO 0.22 -0.27 0.46 1.17 0.02 0.00 0.00 176.35 177.95 1wwt n LYS 72 N -1.00 0.65 -3.65 1.70 0.00 -1.26 0.32 118.16 114.92 1wwt n LYS 72 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 58.31 58.49 1wwt n LYS 72 Cb 0.54 -1.70 -0.07 0.00 0.00 0.00 0.00 35.03 33.80 1wwt n LYS 72 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1wwt s PHE 73 N -2.56 -0.27 0.30 5.64 5.36 -1.26 -4.56 117.98 120.62 1wwt s PHE 73 Ca -0.08 0.59 0.07 0.00 -0.96 0.00 0.00 56.93 56.56 1wwt s PHE 73 Cb 0.07 0.30 -0.02 0.00 -0.34 0.00 0.00 43.02 43.03 1wwt s PHE 73 CO 0.82 -0.13 0.33 -1.21 -1.46 0.00 0.00 175.22 173.56 1wwt s GLU 74 N 0.70 3.00 -0.32 10.12 0.41 -1.26 -5.04 118.70 126.31 1wwt s GLU 74 Ca -0.02 -1.07 -0.07 0.00 -0.41 0.00 0.00 54.97 53.40 1wwt s GLU 74 Cb -0.04 -2.66 0.19 0.00 -1.78 0.00 0.00 34.13 29.84 1wwt s GLU 74 CO -0.12 0.21 0.96 -0.51 -0.49 0.00 0.00 175.26 175.31 1wwt s ASP 75 N -4.01 -0.61 0.00 -0.19 1.11 -1.26 -5.06 116.67 106.65 1wwt s ASP 75 Ca 0.39 -0.14 0.00 0.00 0.18 0.00 0.00 52.55 52.98 1wwt s ASP 75 Cb -0.08 1.05 0.00 0.00 1.07 0.00 0.00 42.92 44.96 1wwt s ASP 75 CO 0.28 -0.09 0.00 -0.62 1.18 0.00 0.00 175.17 175.92 1wwt n GLU 76 N 4.44 0.00 -0.03 8.23 1.02 -1.26 -5.03 120.64 128.01 1wwt n GLU 76 Ca 0.08 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.15 1wwt n GLU 76 Cb 0.60 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.00 1wwt n GLU 76 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1wwt n GLU 77 N -0.86 0.26 0.00 3.49 4.07 -1.26 -5.00 120.64 121.34 1wwt n GLU 77 Ca 0.00 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.21 1wwt n GLU 77 Cb 0.00 -0.96 0.00 0.00 -0.06 0.00 0.00 31.44 30.42 1wwt n GLU 77 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wwt n ALA 78 N -3.89 0.00 -0.30 4.31 0.00 -1.26 -4.84 120.51 114.52 1wwt n ALA 78 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1wwt n ALA 78 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 0.00 0.00 -3.38 0.00 6.02 -1.26 -3.55 117.38 115.21 1wwt n GLN 79 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 1wwt n GLN 79 Cb 0.00 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.17 1wwt n GLN 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wwt n ALA 80 N 0.30 2.99 -0.01 -1.58 0.00 -1.26 -4.91 120.51 116.05 1wwt n ALA 80 Ca 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.72 1wwt n ALA 80 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1wwt n ALA 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wwt n VAL 81 N 1.78 0.00 -0.33 0.00 0.31 -1.23 -4.82 118.33 114.03 1wwt n VAL 81 Ca 0.25 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.76 1wwt n VAL 81 Cb 0.47 -0.62 0.41 0.00 -0.91 0.00 0.00 33.84 33.20 1wwt n VAL 81 CO 0.00 0.00 0.00 0.10 -1.32 0.00 0.00 176.83 175.61 1wwt h TYR 82 N 0.00 0.88 -5.79 3.52 -0.00 -1.90 -3.47 116.97 110.22 1wwt h TYR 82 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.76 1wwt h TYR 82 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 36.73 36.44 1wwt h TYR 82 CO 0.00 0.13 -0.85 0.43 -0.00 0.00 0.00 178.16 177.86 1wwt n SER 83 N -4.73 -6.04 -4.61 0.10 7.64 -1.26 -4.72 113.62 100.00 1wwt n SER 83 Ca 0.25 0.96 -0.43 0.00 1.01 0.00 0.00 58.87 60.66 1wwt n SER 83 Cb 0.73 -3.11 -0.03 0.00 -1.01 0.00 0.00 64.21 60.79 1wwt n SER 83 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wwt s GLY 84 N -0.83 0.76 -0.64 0.23 0.00 -1.26 -4.90 107.32 100.69 1wwt s GLY 84 Ca -0.05 0.64 -0.27 0.00 0.00 0.00 0.00 44.72 45.03 1wwt s GLY 84 CO 0.33 3.52 1.54 2.56 0.00 0.00 0.00 173.10 181.05 1wwt s PRO 85 N 5.77 3.01 0.49 2.90 0.04 -1.26 -4.72 135.00 141.23 1wwt s PRO 85 Ca 0.90 0.28 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1wwt s PRO 85 Cb -0.30 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.00 1wwt s PRO 85 CO 0.35 -2.31 0.00 0.43 0.04 0.00 0.00 177.00 175.51 1wwt n SER 86 N 10.70 -7.35 -4.57 6.66 7.64 -1.26 -4.52 113.62 120.92 1wwt n SER 86 Ca 0.12 1.44 -0.38 0.00 1.01 0.00 0.00 58.87 61.07 1wwt n SER 86 Cb 0.50 -4.15 -0.03 0.00 -1.01 0.00 0.00 64.21 59.52 1wwt n SER 86 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wwt s SER 87 N -4.49 6.21 0.00 6.43 0.01 -1.26 -5.24 113.70 115.37 1wwt s SER 87 Ca 0.00 -1.74 0.00 0.00 1.31 0.00 0.00 55.95 55.52 1wwt s SER 87 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1wwt s SER 87 CO 0.00 -1.79 0.00 0.61 0.41 0.00 0.00 173.24 172.47