#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 1.89 0.22 1.61 0.15 -1.26 -5.06 113.70 111.25 1wwt s SER 2 Ca 0.00 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.63 1wwt s SER 2 Cb 0.00 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1wwt s SER 2 CO 0.00 -0.31 0.00 -0.24 1.20 0.00 0.00 173.24 173.89 1wwt n SER 3 N -0.22 0.04 0.00 5.45 2.88 -1.26 -5.18 113.62 115.33 1wwt n SER 3 Ca -0.10 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1wwt n SER 3 Cb 0.61 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 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 1.85 -1.47 3.52 0.46 0.00 -1.26 -5.14 105.19 103.16 1wwt n GLY 4 Ca 0.00 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 1wwt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wwt s SER 5 N -2.76 4.27 -0.30 1.61 1.04 -1.26 -5.08 113.70 111.22 1wwt s SER 5 Ca 0.00 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.26 1wwt s SER 5 Cb 0.00 -0.94 0.19 0.00 0.10 0.00 0.00 66.02 65.37 1wwt s SER 5 CO 0.00 0.32 0.74 -0.94 0.98 0.00 0.00 173.24 174.34 1wwt s SER 6 N -0.99 -1.24 -0.30 7.02 1.04 -1.26 -5.12 113.70 112.85 1wwt s SER 6 Ca 0.13 0.11 -0.00 0.00 0.48 0.00 0.00 55.95 56.67 1wwt s SER 6 Cb -0.11 1.78 0.09 0.00 0.10 0.00 0.00 66.02 67.88 1wwt s SER 6 CO 0.03 -0.22 0.07 -0.83 0.98 0.00 0.00 173.24 173.26 1wwt s GLY 7 N 2.82 1.18 0.00 7.32 0.00 -1.26 -5.08 107.32 112.31 1wwt s GLY 7 Ca 0.16 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.20 1wwt s GLY 7 CO -0.24 1.43 0.00 1.34 0.00 0.00 0.00 173.10 175.63 1wwt n ASP 8 N 4.76 0.00 -4.93 1.64 2.03 -1.26 -5.17 116.55 113.62 1wwt n ASP 8 Ca -0.03 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.03 1wwt n ASP 8 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1wwt n ASP 8 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1wwt s SER 9 N 0.00 6.05 0.05 1.67 0.15 -1.26 -5.02 113.70 115.34 1wwt s SER 9 Ca 0.00 0.56 -0.02 0.00 0.70 0.00 0.00 55.95 57.18 1wwt s SER 9 Cb 0.00 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.40 1wwt s SER 9 CO 0.00 -0.60 0.02 -1.59 1.20 0.00 0.00 173.24 172.27 1wwt s LYS 10 N -4.59 0.60 -0.37 5.44 -2.85 -1.26 -4.94 119.74 111.77 1wwt s LYS 10 Ca 0.46 -1.04 -0.29 0.00 -1.00 0.00 0.00 55.97 54.11 1wwt s LYS 10 Cb -0.10 0.22 0.01 0.00 -2.06 0.00 0.00 37.83 35.89 1wwt s LYS 10 CO 0.40 -0.13 1.39 -1.25 0.10 0.00 0.00 175.35 175.86 1wwt s PRO 11 N -3.40 3.68 0.33 1.78 0.04 -1.26 -1.07 135.00 135.10 1wwt s PRO 11 Ca 0.02 1.05 0.08 0.00 0.04 0.00 0.00 61.00 62.19 1wwt s PRO 11 Cb 0.04 -3.98 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 1wwt s PRO 11 CO -0.08 -1.43 0.19 0.96 0.04 0.00 0.00 177.00 176.68 1wwt s ILE 12 N 5.12 3.27 -0.17 0.56 -4.36 0.53 -4.95 121.20 121.21 1wwt s ILE 12 Ca 0.60 -1.58 -0.02 0.00 -0.26 0.00 0.00 60.65 59.40 1wwt s ILE 12 Cb -0.15 -3.06 -0.01 0.00 1.25 0.00 0.00 42.46 40.49 1wwt s ILE 12 CO 0.30 -0.19 -0.10 -0.54 0.24 0.00 0.00 174.94 174.64 1wwt s LYS 13 N -3.89 3.37 -0.26 0.37 -0.14 -1.26 -0.05 119.74 117.88 1wwt s LYS 13 Ca 0.38 -0.66 0.01 0.00 -1.36 0.00 0.00 55.97 54.34 1wwt s LYS 13 Cb -0.04 -2.77 0.05 0.00 -1.68 0.00 0.00 37.83 33.39 1wwt s LYS 13 CO 0.24 0.05 -0.08 0.08 -0.76 0.00 0.00 175.35 174.87 1wwt s VAL 14 N 0.80 2.49 -0.08 3.17 1.01 -0.51 -2.51 120.40 124.77 1wwt s VAL 14 Ca -0.04 -1.40 -0.25 0.00 0.00 0.00 0.00 61.98 60.29 1wwt s VAL 14 Cb -0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1wwt s VAL 14 CO 0.01 0.04 0.77 -0.89 0.00 0.00 0.00 175.10 175.04 1wwt s THR 15 N 1.20 4.98 0.85 3.92 2.01 -1.19 -1.21 115.64 126.20 1wwt s THR 15 Ca -0.05 1.58 -0.11 0.00 0.31 0.00 0.00 61.69 63.42 1wwt s THR 15 Cb -0.19 -4.10 0.11 0.00 0.01 0.00 0.00 72.50 68.32 1wwt s THR 15 CO -0.05 0.19 1.11 -0.76 -0.69 0.00 0.00 174.62 174.42 1wwt s LEU 16 N 1.14 2.77 0.00 4.42 1.43 0.18 -1.06 118.68 127.57 1wwt s LEU 16 Ca 0.40 1.88 0.16 0.00 -1.03 0.00 0.00 54.13 55.54 1wwt s LEU 16 Cb -0.18 -4.40 0.98 0.00 0.03 0.00 0.00 46.19 42.62 1wwt s LEU 16 CO 0.18 -2.56 1.47 -0.81 0.23 0.00 0.00 176.35 174.86 1wwt n PRO 17 N -3.86 0.75 -0.00 1.29 -0.04 -0.86 -1.89 135.00 130.39 1wwt n PRO 17 Ca 0.09 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.64 1wwt n PRO 17 Cb 0.53 -1.34 -0.12 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.84 0.80 0.00 3.54 2.03 -1.26 -4.98 116.55 115.83 1wwt n ASP 18 Ca 0.12 -0.48 0.00 0.00 0.52 0.00 0.00 54.79 54.95 1wwt n ASP 18 Cb 0.06 1.41 0.00 0.00 -0.72 0.00 0.00 41.12 41.87 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 1.14 3.46 0.27 0.00 -0.79 -5.09 105.19 105.60 1wwt n GLY 19 Ca 0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.31 -4.30 1.61 4.76 -1.26 -4.60 118.16 113.06 1wwt n LYS 20 Ca 0.00 -0.35 -0.22 0.00 -2.87 0.00 0.00 58.31 54.87 1wwt n LYS 20 Cb 0.00 -2.03 -0.12 0.00 -1.84 0.00 0.00 35.03 31.04 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 -4.04 1.17 0.08 1.97 -0.21 -1.26 0.52 119.66 117.89 1wwt s GLN 21 Ca 0.62 -1.28 -0.04 0.00 0.02 0.00 0.00 55.36 54.69 1wwt s GLN 21 Cb -0.21 -1.28 -0.03 0.00 1.00 0.00 0.00 33.01 32.49 1wwt s GLN 21 CO 0.64 0.27 0.06 0.08 -2.12 0.00 0.00 175.29 174.23 1wwt s VAL 22 N -1.70 0.17 -0.21 1.09 1.01 -0.35 -4.89 120.40 115.52 1wwt s VAL 22 Ca 0.11 -1.63 -0.11 0.00 0.00 0.00 0.00 61.98 60.35 1wwt s VAL 22 Cb -0.07 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1wwt s VAL 22 CO 0.05 -0.77 0.17 1.51 0.00 0.00 0.00 175.10 176.05 1wwt s ASP 23 N -2.93 6.22 0.31 3.32 -4.77 -1.26 -1.42 116.67 116.14 1wwt s ASP 23 Ca 0.10 0.24 0.03 0.00 -3.30 0.00 0.00 52.55 49.62 1wwt s ASP 23 Cb 0.07 -2.11 -0.04 0.00 -1.09 0.00 0.00 42.92 39.75 1wwt s ASP 23 CO -0.08 0.13 0.16 0.00 0.70 0.00 0.00 175.17 176.08 1wwt s ALA 24 N 0.60 1.99 -0.02 2.11 0.00 0.93 -4.91 121.76 122.46 1wwt s ALA 24 Ca 0.09 -1.75 0.02 0.00 0.00 0.00 0.00 51.96 50.32 1wwt s ALA 24 Cb -0.12 1.14 0.00 0.00 0.00 0.00 0.00 23.12 24.14 1wwt s ALA 24 CO 0.01 -0.50 -0.06 -1.21 0.00 0.00 0.00 175.76 173.99 1wwt s GLU 25 N -3.81 0.66 0.18 0.00 0.41 -1.26 0.20 118.70 115.07 1wwt s GLU 25 Ca 0.35 -0.21 -0.31 0.00 -0.41 0.00 0.00 54.97 54.39 1wwt s GLU 25 Cb 0.05 -0.64 -0.10 0.00 -1.78 0.00 0.00 34.13 31.66 1wwt s GLU 25 CO 0.18 0.09 1.54 -1.54 -0.49 0.00 0.00 175.26 175.03 1wwt s SER 26 N 0.14 6.61 -1.60 -0.19 1.04 -0.23 -0.95 113.70 118.52 1wwt s SER 26 Ca -0.02 2.61 -0.04 0.00 0.48 0.00 0.00 55.95 58.99 1wwt s SER 26 Cb -0.06 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.47 1wwt s SER 26 CO -0.00 -0.80 0.48 0.79 0.98 0.00 0.00 173.24 174.69 1wwt n TRP 27 N 3.67 -1.78 0.11 5.02 7.02 -0.89 -4.08 117.44 126.52 1wwt n TRP 27 Ca 0.12 0.41 0.00 0.00 -1.02 0.00 0.00 57.50 57.02 1wwt n TRP 27 Cb 0.39 -4.36 0.00 0.00 -2.42 0.00 0.00 31.31 24.92 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 -3.82 0.00 -3.87 -0.99 5.02 -0.57 -4.94 118.16 108.99 1wwt n LYS 28 Ca -0.14 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.92 1wwt n LYS 28 Cb 0.63 -0.03 -0.02 0.00 -0.02 0.00 0.00 35.03 35.59 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 -1.79 5.26 0.36 -0.18 2.01 -0.13 -4.95 115.64 116.22 1wwt s THR 29 Ca 0.00 -0.79 0.04 0.00 0.31 0.00 0.00 61.69 61.24 1wwt s THR 29 Cb 0.00 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1wwt s THR 29 CO 0.00 -0.28 0.07 0.42 -0.69 0.00 0.00 174.62 174.15 1wwt s THR 30 N -1.94 1.05 -0.22 -0.82 -4.23 -1.26 -1.58 115.64 106.63 1wwt s THR 30 Ca 0.35 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.14 1wwt s THR 30 Cb -0.10 -2.64 0.35 0.00 1.34 0.00 0.00 72.50 71.46 1wwt s THR 30 CO 0.30 0.00 1.80 1.55 -0.54 0.00 0.00 174.62 177.72 1wwt h PRO 31 N 1.96 0.00 -0.02 3.99 0.13 -1.77 -2.70 132.00 133.59 1wwt h PRO 31 Ca -0.40 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.53 1wwt h PRO 31 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wwt h PRO 31 CO 0.67 0.00 -0.84 -0.92 -0.23 0.00 0.00 178.00 176.68 1wwt h TYR 32 N 0.00 0.47 0.01 1.56 3.20 -1.87 -2.85 116.97 117.48 1wwt h TYR 32 Ca 0.00 -0.24 -0.06 0.00 3.14 0.00 0.00 58.73 61.57 1wwt h TYR 32 Cb 0.72 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.93 1wwt h TYR 32 CO 0.00 1.03 -0.24 1.96 -1.64 0.00 0.00 178.16 179.27 1wwt h GLN 33 N 0.20 0.15 -0.00 1.82 4.20 -1.82 -2.85 115.11 116.80 1wwt h GLN 33 Ca -0.05 -0.17 0.02 0.00 0.06 0.00 0.00 58.65 58.51 1wwt h GLN 33 Cb 1.45 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.24 1wwt h GLN 33 CO 0.14 0.94 -0.42 0.82 -0.67 0.00 0.00 178.83 179.63 1wwt h ILE 34 N -0.57 0.00 -0.75 2.54 2.04 -1.56 0.94 117.51 120.15 1wwt h ILE 34 Ca -0.03 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.00 1wwt h ILE 34 Cb 1.03 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.98 1wwt h ILE 34 CO 0.05 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.28 1wwt h ALA 35 N -0.66 0.87 0.11 1.87 0.00 -1.63 0.22 119.26 120.04 1wwt h ALA 35 Ca 0.01 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1wwt h ALA 35 Cb 0.57 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1wwt h ALA 35 CO -0.28 -0.40 -0.17 0.00 0.00 0.00 0.00 179.25 178.40 1wwt n GLY 37 N -1.29 -2.29 0.13 0.00 0.00 0.31 -0.83 105.19 101.22 1wwt n GLY 37 Ca -0.07 0.98 -0.03 0.00 0.00 0.00 0.00 46.02 46.90 1wwt n GLY 37 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wwt h ILE 38 N 0.00 0.00 -2.17 -0.61 5.03 -1.19 -3.42 117.51 115.16 1wwt h ILE 38 Ca 0.13 0.00 0.01 0.00 -0.12 0.00 0.00 64.86 64.88 1wwt h ILE 38 Cb 0.32 0.00 -0.22 0.00 -3.03 0.00 0.00 36.82 33.89 1wwt h ILE 38 CO -0.74 0.00 -0.16 -0.44 -0.68 0.00 0.00 178.15 176.13 1wwt s SER 39 N -3.75 -0.86 -0.24 1.72 0.01 -0.01 -5.11 113.70 105.46 1wwt s SER 39 Ca -0.04 1.38 -0.36 0.00 1.31 0.00 0.00 55.95 58.24 1wwt s SER 39 Cb 0.03 1.77 -0.12 0.00 0.21 0.00 0.00 66.02 67.91 1wwt s SER 39 CO 0.19 -0.22 1.97 0.00 0.41 0.00 0.00 173.24 175.58 1wwt n GLN 40 N 5.09 1.48 0.00 12.44 6.02 -1.08 -2.58 117.38 138.75 1wwt n GLN 40 Ca -0.14 0.50 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1wwt n GLN 40 Cb 0.52 -2.44 0.00 0.00 1.02 0.00 0.00 30.24 29.33 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 5.19 3.56 0.33 1.08 0.00 -1.26 -4.97 105.19 109.12 1wwt n GLY 41 Ca 0.31 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.04 -0.02 0.99 6.46 -1.77 0.44 115.31 120.37 1wwt h LEU 42 Ca 0.00 0.17 0.03 0.00 -0.12 0.00 0.00 57.88 57.95 1wwt h LEU 42 Cb 0.00 0.46 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 1wwt h LEU 42 CO 0.00 -0.34 -0.14 0.00 -0.62 0.00 0.00 178.44 177.34 1wwt h ALA 43 N 0.56 -0.15 -0.73 1.25 0.00 -1.80 0.99 119.26 119.39 1wwt h ALA 43 Ca 0.13 0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.27 1wwt h ALA 43 Cb 0.54 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1wwt h ALA 43 CO -0.43 -0.63 0.54 -0.44 0.00 0.00 0.00 179.25 178.29 1wwt h ASP 44 N -0.22 0.00 -2.57 0.00 5.19 -1.59 -2.47 116.42 114.76 1wwt h ASP 44 Ca 0.06 0.00 -0.63 0.00 -0.62 0.00 0.00 57.03 55.83 1wwt h ASP 44 Cb 0.30 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.41 1wwt h ASP 44 CO -0.16 0.00 -0.41 -3.20 -3.12 0.00 0.00 179.24 172.35 1wwt n ASN 45 N -4.25 3.90 -3.66 6.45 2.85 0.14 -5.00 115.26 115.69 1wwt n ASN 45 Ca 0.15 -3.36 -0.23 0.00 -0.11 0.00 0.00 54.58 51.02 1wwt n ASN 45 Cb 0.82 -0.78 -0.18 0.00 1.24 0.00 0.00 39.78 40.88 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 -2.19 -0.03 0.00 -0.44 2.01 -0.93 -4.76 115.64 109.30 1wwt s THR 46 Ca 0.35 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1wwt s THR 46 Cb 0.08 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.21 1wwt s THR 46 CO -0.05 0.00 0.77 0.52 -0.69 0.00 0.00 174.62 175.17 1wwt n VAL 47 N 5.27 0.00 -3.79 3.82 0.31 -1.13 -4.87 118.33 117.94 1wwt n VAL 47 Ca -0.05 1.25 -0.13 0.00 -0.01 0.00 0.00 64.34 65.40 1wwt n VAL 47 Cb 0.50 -2.22 -0.13 0.00 -0.91 0.00 0.00 33.84 31.07 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 -2.22 -0.02 -0.12 2.52 -1.09 -1.26 -4.94 121.20 114.08 1wwt s ILE 48 Ca 0.00 0.07 -0.14 0.00 -2.23 0.00 0.00 60.65 58.35 1wwt s ILE 48 Cb 0.00 -0.22 -0.05 0.00 -1.58 0.00 0.00 42.46 40.61 1wwt s ILE 48 CO 0.00 0.03 0.34 0.00 -1.23 0.00 0.00 174.94 174.08 1wwt s ALA 49 N 0.52 3.60 -0.18 9.38 0.00 -1.15 -1.04 121.76 132.90 1wwt s ALA 49 Ca -0.04 -0.38 -0.10 0.00 0.00 0.00 0.00 51.96 51.45 1wwt s ALA 49 Cb -0.05 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 1wwt s ALA 49 CO -0.02 0.17 0.16 0.15 0.00 0.00 0.00 175.76 176.21 1wwt s LYS 50 N 0.15 4.05 -0.34 0.00 1.02 0.14 0.15 119.74 124.91 1wwt s LYS 50 Ca 0.19 -0.16 0.01 0.00 0.02 0.00 0.00 55.97 56.04 1wwt s LYS 50 Cb -0.14 -3.37 0.09 0.00 -0.52 0.00 0.00 37.83 33.89 1wwt s LYS 50 CO 0.07 0.39 0.06 0.08 -0.92 0.00 0.00 175.35 175.03 1wwt s VAL 51 N 0.08 2.61 -0.18 3.17 1.01 0.41 -1.67 120.40 125.83 1wwt s VAL 51 Ca 0.11 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 60.03 1wwt s VAL 51 Cb -0.12 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1wwt s VAL 51 CO 0.00 -0.48 0.00 -3.20 0.00 0.00 0.00 175.10 171.42 1wwt n ASN 52 N 4.41 -1.81 -0.20 3.32 4.05 -0.68 -2.86 115.26 121.50 1wwt n ASN 52 Ca -0.02 0.01 -0.02 0.00 0.45 0.00 0.00 54.58 54.99 1wwt n ASN 52 Cb 0.42 -0.92 -0.01 0.00 1.23 0.00 0.00 39.78 40.50 1wwt n ASN 52 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1wwt n ASN 53 N 1.63 -2.96 -4.01 1.20 5.15 -1.26 -4.96 115.26 110.04 1wwt n ASN 53 Ca -0.02 0.05 -0.22 0.00 -0.60 0.00 0.00 54.58 53.79 1wwt n ASN 53 Cb 0.43 -1.00 -0.16 0.00 -0.53 0.00 0.00 39.78 38.53 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 -2.09 0.89 0.16 3.44 -7.23 -1.13 -5.08 120.40 109.35 1wwt s VAL 54 Ca 0.00 -0.41 -0.33 0.00 -1.81 0.00 0.00 61.98 59.43 1wwt s VAL 54 Cb 0.00 -0.80 -0.16 0.00 0.56 0.00 0.00 36.38 35.98 1wwt s VAL 54 CO 0.00 0.28 1.13 0.52 -0.31 0.00 0.00 175.10 176.72 1wwt n VAL 55 N 3.39 0.87 -3.94 1.32 0.31 -1.26 0.16 118.33 119.17 1wwt n VAL 55 Ca -0.19 -0.22 -0.10 0.00 -0.01 0.00 0.00 64.34 63.82 1wwt n VAL 55 Cb 0.53 -0.75 -0.12 0.00 -0.91 0.00 0.00 33.84 32.59 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 -0.20 0.16 0.45 3.52 -0.11 0.40 -4.64 118.94 118.51 1wwt s TRP 56 Ca 0.74 -0.31 -0.20 0.00 1.22 0.00 0.00 56.10 57.55 1wwt s TRP 56 Cb -0.88 -0.11 -0.10 0.00 -1.50 0.00 0.00 33.47 30.87 1wwt s TRP 56 CO 0.53 -0.11 0.96 -0.51 -4.62 0.00 0.00 176.95 173.19 1wwt s ASP 57 N -0.86 6.84 0.23 5.86 1.11 -1.26 -2.91 116.67 125.68 1wwt s ASP 57 Ca -0.09 1.65 0.11 0.00 0.18 0.00 0.00 52.55 54.39 1wwt s ASP 57 Cb -0.06 -2.53 0.15 0.00 1.07 0.00 0.00 42.92 41.56 1wwt s ASP 57 CO -0.01 -0.42 1.48 -0.07 1.18 0.00 0.00 175.17 177.33 1wwt h LEU 58 N 1.62 0.00 0.03 1.23 3.38 -1.94 -3.11 115.31 116.52 1wwt h LEU 58 Ca -0.48 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.24 1wwt h LEU 58 Cb 1.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1wwt h LEU 58 CO 0.61 0.71 -1.22 -2.24 0.09 0.00 0.00 178.44 176.40 1wwt h ASP 59 N 0.00 0.11 -3.07 -0.43 2.03 -2.00 -3.29 116.42 109.77 1wwt h ASP 59 Ca -0.01 -0.13 -0.56 0.00 -0.73 0.00 0.00 57.03 55.60 1wwt h ASP 59 Cb 1.36 -0.04 -0.03 0.00 -0.83 0.00 0.00 39.33 39.79 1wwt h ASP 59 CO 0.09 1.11 0.74 -0.60 -1.03 0.00 0.00 179.24 179.55 1wwt s ARG 60 N -2.67 4.32 0.43 4.15 3.52 -1.17 -4.96 118.95 122.56 1wwt s ARG 60 Ca -0.02 1.59 -0.23 0.00 -0.13 0.00 0.00 55.73 56.94 1wwt s ARG 60 Cb 0.09 -3.62 -0.09 0.00 -1.56 0.00 0.00 34.95 29.77 1wwt s ARG 60 CO 0.83 -0.52 1.05 -1.25 -0.81 0.00 0.00 175.30 174.61 1wwt s PRO 61 N 2.64 4.03 1.06 5.12 0.04 -1.26 -4.41 135.00 142.22 1wwt s PRO 61 Ca 0.53 1.47 -0.16 0.00 0.04 0.00 0.00 61.00 62.87 1wwt s PRO 61 Cb -0.22 -2.39 0.14 0.00 0.04 0.00 0.00 34.50 32.08 1wwt s PRO 61 CO 0.17 -0.25 0.14 1.28 0.04 0.00 0.00 177.00 178.38 1wwt n LEU 62 N -0.39 -1.72 -0.03 -3.56 7.99 -0.61 -4.55 117.00 114.12 1wwt n LEU 62 Ca 0.06 -0.30 -0.04 0.00 -0.01 0.00 0.00 56.01 55.72 1wwt n LEU 62 Cb 0.51 -0.82 -0.03 0.00 -0.11 0.00 0.00 43.42 42.97 1wwt n LEU 62 CO 0.43 -3.20 -0.69 -0.62 -1.51 0.00 0.00 177.39 171.80 1wwt n GLU 63 N -1.81 0.44 -3.31 3.23 1.02 -1.26 -2.10 120.64 116.86 1wwt n GLU 63 Ca 0.04 0.03 -0.02 0.00 -0.02 0.00 0.00 57.16 57.19 1wwt n GLU 63 Cb 0.47 -1.12 0.02 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 -2.62 0.46 -1.34 3.49 0.28 -1.26 -4.55 120.64 115.10 1wwt n GLU 64 Ca -0.10 -1.08 -0.57 0.00 -0.16 0.00 0.00 57.16 55.24 1wwt n GLU 64 Cb 0.61 1.48 -0.10 0.00 1.43 0.00 0.00 31.44 34.86 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 -1.10 1.24 -3.65 -1.84 5.75 -1.26 -4.81 116.55 110.88 1wwt n ASP 65 Ca -0.01 0.63 -0.10 0.00 -0.01 0.00 0.00 54.79 55.30 1wwt n ASP 65 Cb 0.44 -1.02 -0.04 0.00 -1.03 0.00 0.00 41.12 39.48 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 -3.52 5.42 -0.14 0.00 -4.23 -1.26 -3.18 115.64 108.72 1wwt s THR 67 Ca 0.23 -0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 60.61 1wwt s THR 67 Cb -0.01 -3.49 -0.03 0.00 1.34 0.00 0.00 72.50 70.30 1wwt s THR 67 CO 0.12 0.39 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.34 1wwt s LEU 68 N -1.74 3.35 -0.05 4.79 2.96 -0.22 -1.69 118.68 126.07 1wwt s LEU 68 Ca 0.25 -0.06 -0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1wwt s LEU 68 Cb -0.12 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.80 1wwt s LEU 68 CO 0.16 0.22 0.09 -0.70 -1.32 0.00 0.00 176.35 174.79 1wwt s GLU 69 N 0.08 -0.05 -0.24 1.98 2.12 -0.67 -2.02 118.70 119.90 1wwt s GLU 69 Ca 0.00 0.43 -0.20 0.00 0.36 0.00 0.00 54.97 55.57 1wwt s GLU 69 Cb -0.13 -0.44 -0.02 0.00 0.26 0.00 0.00 34.13 33.80 1wwt s GLU 69 CO 0.02 -0.32 0.59 -0.51 -0.54 0.00 0.00 175.26 174.50 1wwt s LEU 70 N 2.19 4.08 0.41 2.70 2.01 -1.26 0.28 118.68 129.08 1wwt s LEU 70 Ca 0.04 0.67 -0.12 0.00 0.01 0.00 0.00 54.13 54.74 1wwt s LEU 70 Cb -0.12 -2.79 -0.07 0.00 0.01 0.00 0.00 46.19 43.22 1wwt s LEU 70 CO -0.04 -0.31 0.79 -0.76 1.01 0.00 0.00 176.35 177.04 1wwt s LEU 71 N 2.28 3.83 -0.23 1.79 1.43 -0.21 -4.98 118.68 122.59 1wwt s LEU 71 Ca 0.25 1.20 0.14 0.00 -1.03 0.00 0.00 54.13 54.69 1wwt s LEU 71 Cb -0.16 -4.08 0.61 0.00 0.03 0.00 0.00 46.19 42.60 1wwt s LEU 71 CO 0.09 -0.40 1.55 1.17 0.23 0.00 0.00 176.35 178.99 1wwt n LYS 72 N -1.23 3.20 0.00 1.70 4.81 -1.26 -2.82 118.16 122.56 1wwt n LYS 72 Ca 0.03 -2.99 0.00 0.00 -0.87 0.00 0.00 58.31 54.48 1wwt n LYS 72 Cb 0.54 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.61 1wwt n LYS 72 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1wwt n PHE 73 N -0.38 0.00 -1.89 5.64 7.35 -1.26 -4.95 117.46 121.97 1wwt n PHE 73 Ca 0.28 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.55 1wwt n PHE 73 Cb 1.06 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.86 1wwt n PHE 73 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1wwt s GLU 74 N -2.00 4.07 0.00 -4.13 2.02 -1.26 -4.68 118.70 112.72 1wwt s GLU 74 Ca 0.00 2.26 0.13 0.00 0.02 0.00 0.00 54.97 57.38 1wwt s GLU 74 Cb 0.00 -4.07 -0.06 0.00 0.10 0.00 0.00 34.13 30.10 1wwt s GLU 74 CO 0.00 -1.00 0.65 -3.47 0.02 0.00 0.00 175.26 171.45 1wwt n ASP 75 N 7.67 1.06 0.00 -0.19 -0.08 -1.26 -4.81 116.55 118.94 1wwt n ASP 75 Ca 0.19 -1.03 0.00 0.00 -1.51 0.00 0.00 54.79 52.44 1wwt n ASP 75 Cb 0.43 0.69 0.00 0.00 2.34 0.00 0.00 41.12 44.58 1wwt n ASP 75 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1wwt n GLU 76 N -0.65 0.00 -3.65 -0.67 2.13 -1.26 -5.16 120.64 111.38 1wwt n GLU 76 Ca 0.04 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.82 1wwt n GLU 76 Cb 0.24 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.88 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 0.00 0.16 0.16 5.31 2.12 -1.26 -5.06 118.70 120.12 1wwt s GLU 77 Ca 0.00 0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.51 1wwt s GLU 77 Cb 0.00 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.47 1wwt s GLU 77 CO 0.00 -0.02 0.00 0.00 -0.54 0.00 0.00 175.26 174.70 1wwt n ALA 78 N 1.67 3.00 -2.46 6.30 0.00 -1.26 -4.89 120.51 122.86 1wwt n ALA 78 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 1wwt n ALA 78 Cb 0.57 0.08 -0.02 0.00 0.00 0.00 0.00 19.45 20.07 1wwt n ALA 78 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1wwt s GLN 79 N -2.00 4.31 -0.07 0.00 -0.21 -1.26 -4.45 119.66 115.98 1wwt s GLN 79 Ca 0.00 1.64 -0.06 0.00 0.02 0.00 0.00 55.36 56.97 1wwt s GLN 79 Cb 0.00 -3.63 0.02 0.00 1.00 0.00 0.00 33.01 30.40 1wwt s GLN 79 CO 0.00 -0.54 0.11 0.00 -2.12 0.00 0.00 175.29 172.74 1wwt n ALA 80 N 5.73 -2.81 0.02 6.09 0.00 -1.26 -5.02 120.51 123.26 1wwt n ALA 80 Ca 0.12 1.32 0.00 0.00 0.00 0.00 0.00 53.44 54.88 1wwt n ALA 80 Cb 0.46 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 17.06 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 1.67 0.00 0.07 0.00 3.14 -1.26 -4.83 118.33 117.12 1wwt n VAL 81 Ca -0.19 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.08 1wwt n VAL 81 Cb 0.29 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.02 1wwt n VAL 81 CO 0.00 0.00 0.00 1.88 -6.46 0.00 0.00 176.83 172.25 1wwt h TYR 82 N 0.00 -0.70 0.00 1.45 0.05 -1.92 -3.38 116.97 112.47 1wwt h TYR 82 Ca 0.00 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.74 1wwt h TYR 82 Cb 0.00 0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1wwt h TYR 82 CO 0.00 -0.36 -0.96 0.43 -1.05 0.00 0.00 178.16 176.23 1wwt n SER 83 N -5.38 1.61 0.00 3.88 7.64 -1.26 -5.08 113.62 115.03 1wwt n SER 83 Ca -0.05 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1wwt n SER 83 Cb 0.29 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 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 2.05 0.16 3.72 0.23 0.00 -1.26 -5.03 105.19 105.07 1wwt n GLY 84 Ca -0.15 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.12 4.51 -0.10 1.61 0.04 -1.26 -4.79 135.00 134.89 1wwt s PRO 85 Ca 0.00 1.73 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 1wwt s PRO 85 Cb 0.00 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 1wwt s PRO 85 CO 0.00 -0.10 0.92 0.45 0.04 0.00 0.00 177.00 178.32 1wwt s SER 86 N 0.52 7.17 0.01 6.66 0.15 -1.26 -5.04 113.70 121.91 1wwt s SER 86 Ca 0.54 1.43 0.07 0.00 0.70 0.00 0.00 55.95 58.69 1wwt s SER 86 Cb -0.29 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.48 1wwt s SER 86 CO 0.32 -0.36 -0.21 -0.94 1.20 0.00 0.00 173.24 173.25 1wwt s SER 87 N 1.06 2.45 0.00 5.45 1.04 -1.26 -5.32 113.70 117.12 1wwt s SER 87 Ca 0.45 -0.45 0.18 0.00 0.48 0.00 0.00 55.95 56.61 1wwt s SER 87 Cb -0.18 -0.24 1.07 0.00 0.10 0.00 0.00 66.02 66.77 1wwt s SER 87 CO 0.18 0.21 1.47 0.61 0.98 0.00 0.00 173.24 176.69