#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 -0.55 0.45 1.61 0.15 -1.26 -5.15 113.70 108.95 1wwt s SER 2 Ca 0.00 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1wwt s SER 2 Cb 0.00 1.52 0.00 0.00 -1.71 0.00 0.00 66.02 65.83 1wwt s SER 2 CO 0.00 -0.10 0.00 -1.20 1.20 0.00 0.00 173.24 173.14 1wwt n SER 3 N 5.26 -7.66 0.00 5.45 7.64 -1.26 -5.03 113.62 118.02 1wwt n SER 3 Ca -0.07 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.77 1wwt n SER 3 Cb 0.53 -4.19 0.00 0.00 -1.01 0.00 0.00 64.21 59.54 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 -4.12 1.30 2.17 0.23 0.00 -1.26 -5.12 105.19 98.40 1wwt n GLY 4 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.10 -1.29 1.61 2.88 -1.26 -5.17 113.62 107.29 1wwt n SER 5 Ca 0.00 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1wwt n SER 5 Cb 0.00 2.97 0.00 0.00 -0.75 0.00 0.00 64.21 66.43 1wwt n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wwt n SER 6 N -3.30 -7.10 0.00 -3.46 7.64 -1.26 -5.07 113.62 101.07 1wwt n SER 6 Ca 0.00 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1wwt n SER 6 Cb 0.00 -3.81 0.00 0.00 -1.01 0.00 0.00 64.21 59.39 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 -1.40 1.46 2.23 0.23 0.00 -1.26 -5.12 105.19 101.33 1wwt n GLY 7 Ca 0.00 -2.13 -0.02 0.00 0.00 0.00 0.00 46.02 43.87 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 0.00 -4.85 -3.37 1.61 8.00 -1.26 -5.01 116.55 111.67 1wwt n ASP 8 Ca 0.00 1.35 -0.24 0.00 0.71 0.00 0.00 54.79 56.61 1wwt n ASP 8 Cb 0.00 -4.49 0.19 0.00 -0.02 0.00 0.00 41.12 36.81 1wwt n ASP 8 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1wwt n SER 9 N 1.46 -1.57 -3.50 -2.24 3.41 -1.26 -5.03 113.62 104.89 1wwt n SER 9 Ca -0.16 -1.09 -0.10 0.00 -0.26 0.00 0.00 58.87 57.27 1wwt n SER 9 Cb 0.24 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.36 1wwt n SER 9 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1wwt s LYS 10 N -5.04 0.87 -0.40 4.33 -2.85 -1.25 -4.92 119.74 110.48 1wwt s LYS 10 Ca 0.57 -0.25 -0.29 0.00 -1.00 0.00 0.00 55.97 55.00 1wwt s LYS 10 Cb -0.05 0.40 0.01 0.00 -2.06 0.00 0.00 37.83 36.13 1wwt s LYS 10 CO 0.43 -0.37 1.41 -1.25 0.10 0.00 0.00 175.35 175.67 1wwt s PRO 11 N -2.92 3.61 0.44 1.78 0.04 -1.26 -0.03 135.00 136.66 1wwt s PRO 11 Ca 0.03 0.97 0.08 0.00 0.04 0.00 0.00 61.00 62.12 1wwt s PRO 11 Cb -0.01 -4.01 -0.01 0.00 0.04 0.00 0.00 34.50 30.51 1wwt s PRO 11 CO -0.08 -1.52 0.40 0.96 0.04 0.00 0.00 177.00 176.80 1wwt s ILE 12 N 5.34 2.53 -0.04 0.56 -4.36 0.53 -4.92 121.20 120.84 1wwt s ILE 12 Ca 0.61 -1.34 0.04 0.00 -0.26 0.00 0.00 60.65 59.69 1wwt s ILE 12 Cb -0.14 -2.88 -0.00 0.00 1.25 0.00 0.00 42.46 40.69 1wwt s ILE 12 CO 0.32 0.00 -0.15 -0.75 0.24 0.00 0.00 174.94 174.60 1wwt s LYS 13 N -4.17 1.55 -0.12 0.37 2.20 -1.26 -1.18 119.74 117.12 1wwt s LYS 13 Ca 0.47 -0.51 -0.00 0.00 -0.36 0.00 0.00 55.97 55.57 1wwt s LYS 13 Cb -0.03 -1.36 0.03 0.00 -1.51 0.00 0.00 37.83 34.95 1wwt s LYS 13 CO 0.28 0.19 -0.08 0.08 -0.36 0.00 0.00 175.35 175.46 1wwt s VAL 14 N 0.12 1.10 -0.17 4.02 1.01 -0.93 -1.90 120.40 123.66 1wwt s VAL 14 Ca -0.04 -0.37 -0.21 0.00 0.00 0.00 0.00 61.98 61.35 1wwt s VAL 14 Cb -0.11 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1wwt s VAL 14 CO 0.02 0.35 0.65 -0.89 0.00 0.00 0.00 175.10 175.23 1wwt s THR 15 N 1.67 5.02 0.90 3.92 2.01 -1.17 -0.16 115.64 127.83 1wwt s THR 15 Ca 0.04 1.26 -0.11 0.00 0.31 0.00 0.00 61.69 63.20 1wwt s THR 15 Cb -0.13 -3.97 0.13 0.00 0.01 0.00 0.00 72.50 68.54 1wwt s THR 15 CO -0.08 0.14 1.12 -0.76 -0.69 0.00 0.00 174.62 174.34 1wwt s LEU 16 N 1.68 2.68 0.00 4.42 1.43 0.30 -1.60 118.68 127.59 1wwt s LEU 16 Ca 0.31 1.98 0.17 0.00 -1.03 0.00 0.00 54.13 55.56 1wwt s LEU 16 Cb -0.16 -4.40 1.02 0.00 0.03 0.00 0.00 46.19 42.68 1wwt s LEU 16 CO 0.12 -2.88 1.50 -0.81 0.23 0.00 0.00 176.35 174.51 1wwt n PRO 17 N -4.07 0.75 -0.01 1.29 -0.04 -0.91 -1.92 135.00 130.09 1wwt n PRO 17 Ca 0.10 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 1wwt n PRO 17 Cb 0.53 -1.36 -0.14 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 -0.86 0.59 0.00 3.54 9.92 -1.26 -4.98 116.55 123.51 1wwt n ASP 18 Ca 0.13 -0.42 0.00 0.00 -0.53 0.00 0.00 54.79 53.97 1wwt n ASP 18 Cb 0.06 1.53 0.00 0.00 -0.64 0.00 0.00 41.12 42.07 1wwt n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wwt n GLY 19 N 1.40 1.03 3.71 0.44 0.00 -0.81 -5.09 105.19 105.87 1wwt n GLY 19 Ca -0.00 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1wwt n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wwt s LYS 20 N 0.00 1.84 0.13 1.61 2.20 -1.26 -4.63 119.74 119.63 1wwt s LYS 20 Ca 0.00 1.80 0.06 0.00 -0.36 0.00 0.00 55.97 57.46 1wwt s LYS 20 Cb 0.00 -1.79 -0.04 0.00 -1.51 0.00 0.00 37.83 34.49 1wwt s LYS 20 CO 0.00 -2.07 0.02 -0.65 -0.36 0.00 0.00 175.35 172.29 1wwt s GLN 21 N -4.01 2.55 0.23 4.03 -0.21 -1.26 0.11 119.66 121.10 1wwt s GLN 21 Ca 0.74 -0.94 0.03 0.00 0.02 0.00 0.00 55.36 55.22 1wwt s GLN 21 Cb -0.30 -2.49 -0.05 0.00 1.00 0.00 0.00 33.01 31.17 1wwt s GLN 21 CO 0.48 0.50 0.01 0.08 -2.12 0.00 0.00 175.29 174.24 1wwt s VAL 22 N -1.54 0.95 -0.15 1.09 1.01 0.78 -4.86 120.40 117.67 1wwt s VAL 22 Ca 0.27 -2.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.22 1wwt s VAL 22 Cb -0.11 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1wwt s VAL 22 CO 0.19 -0.31 -0.13 -1.81 0.00 0.00 0.00 175.10 173.05 1wwt s ASP 23 N -3.29 3.92 0.32 3.32 1.01 -1.26 -2.18 116.67 118.50 1wwt s ASP 23 Ca 0.29 -0.39 0.05 0.00 0.71 0.00 0.00 52.55 53.21 1wwt s ASP 23 Cb 0.06 -1.61 -0.03 0.00 1.01 0.00 0.00 42.92 42.35 1wwt s ASP 23 CO 0.09 0.10 0.29 0.00 0.21 0.00 0.00 175.17 175.86 1wwt s ALA 24 N 0.71 1.68 0.00 5.23 0.00 -0.33 -4.95 121.76 124.11 1wwt s ALA 24 Ca -0.06 -1.98 0.02 0.00 0.00 0.00 0.00 51.96 49.94 1wwt s ALA 24 Cb -0.15 1.44 -0.01 0.00 0.00 0.00 0.00 23.12 24.40 1wwt s ALA 24 CO 0.02 -0.67 -0.07 -1.21 0.00 0.00 0.00 175.76 173.83 1wwt s GLU 25 N -3.47 0.54 0.20 0.00 0.41 -1.26 0.20 118.70 115.32 1wwt s GLU 25 Ca 0.40 -0.34 -0.32 0.00 -0.41 0.00 0.00 54.97 54.30 1wwt s GLU 25 Cb 0.03 -0.49 -0.11 0.00 -1.78 0.00 0.00 34.13 31.77 1wwt s GLU 25 CO 0.25 0.13 1.65 -1.54 -0.49 0.00 0.00 175.26 175.26 1wwt s SER 26 N -0.43 6.47 -1.39 -0.19 1.04 0.96 -1.52 113.70 118.64 1wwt s SER 26 Ca 0.00 2.76 -0.09 0.00 0.48 0.00 0.00 55.95 59.11 1wwt s SER 26 Cb -0.04 -2.60 0.03 0.00 0.10 0.00 0.00 66.02 63.51 1wwt s SER 26 CO -0.00 -0.90 1.10 0.79 0.98 0.00 0.00 173.24 175.21 1wwt n TRP 27 N 3.86 -2.64 0.00 5.02 7.02 -1.16 -3.94 117.44 125.59 1wwt n TRP 27 Ca 0.14 0.98 0.00 0.00 -1.02 0.00 0.00 57.50 57.60 1wwt n TRP 27 Cb 0.37 -4.75 0.00 0.00 -2.42 0.00 0.00 31.31 24.51 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 -4.82 0.00 -3.76 -0.99 5.02 -0.57 -4.94 118.16 108.10 1wwt n LYS 28 Ca -0.02 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 1wwt n LYS 28 Cb 0.57 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.54 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 -0.89 5.24 0.51 -0.18 2.01 -0.78 -4.91 115.64 116.64 1wwt s THR 29 Ca 0.00 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1wwt s THR 29 Cb 0.00 -3.69 -0.00 0.00 0.01 0.00 0.00 72.50 68.82 1wwt s THR 29 CO 0.00 -0.05 0.02 0.35 -0.69 0.00 0.00 174.62 174.25 1wwt n THR 30 N -0.27 0.00 0.13 -0.82 -2.24 -1.26 -2.48 114.28 107.34 1wwt n THR 30 Ca -0.04 -2.45 -0.01 0.00 -2.27 0.00 0.00 64.05 59.28 1wwt n THR 30 Cb 0.53 0.54 0.12 0.00 -2.10 0.00 0.00 70.33 69.42 1wwt n THR 30 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1wwt h PRO 31 N 0.00 0.00 0.08 -0.78 0.13 -1.77 -2.16 132.00 127.50 1wwt h PRO 31 Ca -0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1wwt h PRO 31 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1wwt h PRO 31 CO 0.69 0.66 -0.04 -0.92 -0.23 0.00 0.00 178.00 178.16 1wwt h TYR 32 N 0.00 -0.10 -0.04 1.56 3.20 -1.89 -2.76 116.97 116.94 1wwt h TYR 32 Ca -0.01 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 1wwt h TYR 32 Cb 1.25 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 1wwt h TYR 32 CO 0.00 0.24 -0.35 1.96 -1.64 0.00 0.00 178.16 178.37 1wwt h GLN 33 N -0.45 0.09 -0.73 1.82 4.20 -1.84 -1.20 115.11 116.99 1wwt h GLN 33 Ca -0.01 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.73 1wwt h GLN 33 Cb 0.39 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.10 1wwt h GLN 33 CO 0.02 0.43 0.42 0.82 -0.67 0.00 0.00 178.83 179.85 1wwt h ILE 34 N 0.08 0.98 -0.02 2.54 2.04 -1.27 -0.75 117.51 121.11 1wwt h ILE 34 Ca 0.01 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.48 1wwt h ILE 34 Cb 0.66 0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1wwt h ILE 34 CO 0.05 0.14 -0.49 0.00 0.00 0.00 0.00 178.15 177.85 1wwt h ALA 35 N 1.37 0.09 -0.89 1.87 0.00 -1.19 -3.21 119.26 117.31 1wwt h ALA 35 Ca 0.33 -0.53 0.23 0.00 0.00 0.00 0.00 54.91 54.95 1wwt h ALA 35 Cb 0.20 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.85 1wwt h ALA 35 CO -0.19 0.28 0.10 0.00 0.00 0.00 0.00 179.25 179.45 1wwt h GLY 37 N 0.10 1.16 -1.03 0.00 0.00 -1.15 -3.41 103.07 98.74 1wwt h GLY 37 Ca 0.54 0.03 -0.47 0.00 0.00 0.00 0.00 47.33 47.43 1wwt h GLY 37 CO -0.76 -0.34 0.21 -0.42 0.00 0.00 0.00 176.54 175.23 1wwt s ILE 38 N -6.01 2.39 0.16 2.60 1.01 0.29 -4.88 121.20 116.77 1wwt s ILE 38 Ca -0.13 0.13 -0.31 0.00 0.00 0.00 0.00 60.65 60.34 1wwt s ILE 38 Cb 0.25 -2.57 -0.17 0.00 0.01 0.00 0.00 42.46 39.98 1wwt s ILE 38 CO 0.77 -0.17 0.72 -1.20 0.00 0.00 0.00 174.94 175.06 1wwt n SER 39 N -4.08 -0.58 -4.68 3.58 7.64 -1.26 -4.73 113.62 109.51 1wwt n SER 39 Ca 0.06 1.14 -0.47 0.00 1.01 0.00 0.00 58.87 60.62 1wwt n SER 39 Cb 0.56 -0.99 -0.04 0.00 -1.01 0.00 0.00 64.21 62.72 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 1.14 2.22 0.00 1.43 7.27 -1.26 -2.41 117.38 125.77 1wwt n GLN 40 Ca 0.17 0.81 0.00 0.00 0.07 0.00 0.00 57.00 58.05 1wwt n GLN 40 Cb 0.22 -2.62 0.00 0.00 2.41 0.00 0.00 30.24 30.25 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 3.93 1.66 0.22 1.69 0.00 -1.26 -4.97 105.19 106.47 1wwt n GLY 41 Ca 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 0.83 0.11 0.99 7.12 -1.77 -2.74 115.31 119.84 1wwt h LEU 42 Ca 0.00 -0.49 -0.19 0.00 0.13 0.00 0.00 57.88 57.34 1wwt h LEU 42 Cb 0.00 -0.24 0.01 0.00 -0.53 0.00 0.00 40.66 39.90 1wwt h LEU 42 CO 0.00 1.26 -0.88 0.00 -0.13 0.00 0.00 178.44 178.69 1wwt h ALA 43 N 0.74 0.00 -1.16 1.25 0.00 -1.83 -3.27 119.26 115.00 1wwt h ALA 43 Ca -0.01 -0.79 0.33 0.00 0.00 0.00 0.00 54.91 54.43 1wwt h ALA 43 Cb 1.24 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 1wwt h ALA 43 CO 0.13 0.46 0.81 0.22 0.00 0.00 0.00 179.25 180.87 1wwt h ASP 44 N -0.46 0.11 -1.31 0.00 3.58 -1.96 0.65 116.42 117.02 1wwt h ASP 44 Ca -0.17 0.02 -0.62 0.00 0.42 0.00 0.00 57.03 56.68 1wwt h ASP 44 Cb 1.58 0.01 -0.23 0.00 1.72 0.00 0.00 39.33 42.40 1wwt h ASP 44 CO 0.09 0.01 0.77 -3.20 -2.88 0.00 0.00 179.24 174.04 1wwt n ASN 45 N -4.29 7.19 -4.11 2.28 5.15 -1.03 -4.89 115.26 115.54 1wwt n ASN 45 Ca 0.26 -3.57 -0.25 0.00 -0.60 0.00 0.00 54.58 50.42 1wwt n ASN 45 Cb 1.17 -1.08 -0.16 0.00 -0.53 0.00 0.00 39.78 39.18 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 -3.96 1.31 -0.13 -0.44 2.01 0.23 -4.80 115.64 109.86 1wwt s THR 46 Ca 0.54 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.83 1wwt s THR 46 Cb 0.42 -1.13 -0.06 0.00 0.01 0.00 0.00 72.50 71.73 1wwt s THR 46 CO -0.21 0.38 -0.16 0.55 -0.69 0.00 0.00 174.62 174.49 1wwt n VAL 47 N 3.19 0.71 -3.70 3.82 3.14 0.18 -4.99 118.33 120.67 1wwt n VAL 47 Ca -0.18 -0.19 -0.11 0.00 -2.96 0.00 0.00 64.34 60.90 1wwt n VAL 47 Cb 0.53 -1.60 -0.11 0.00 -1.06 0.00 0.00 33.84 31.61 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 -2.24 -0.02 -0.15 1.55 -1.09 -1.25 -4.88 121.20 113.13 1wwt s ILE 48 Ca -0.18 0.08 -0.13 0.00 -2.23 0.00 0.00 60.65 58.19 1wwt s ILE 48 Cb 0.07 -0.59 -0.05 0.00 -1.58 0.00 0.00 42.46 40.31 1wwt s ILE 48 CO 0.23 0.03 0.29 0.00 -1.23 0.00 0.00 174.94 174.26 1wwt s ALA 49 N 1.16 3.62 -0.21 9.38 0.00 -1.10 0.08 121.76 134.70 1wwt s ALA 49 Ca -0.08 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 1wwt s ALA 49 Cb -0.07 -2.36 -0.05 0.00 0.00 0.00 0.00 23.12 20.63 1wwt s ALA 49 CO -0.10 0.15 0.18 0.15 0.00 0.00 0.00 175.76 176.14 1wwt s LYS 50 N 0.25 4.17 -0.39 0.00 1.02 -0.56 0.18 119.74 124.42 1wwt s LYS 50 Ca 0.17 -0.16 -0.01 0.00 0.02 0.00 0.00 55.97 55.99 1wwt s LYS 50 Cb -0.13 -3.46 0.11 0.00 -0.52 0.00 0.00 37.83 33.83 1wwt s LYS 50 CO 0.04 0.21 0.16 0.08 -0.92 0.00 0.00 175.35 174.92 1wwt s VAL 51 N 0.62 2.99 -0.15 3.17 1.01 0.47 -2.55 120.40 125.96 1wwt s VAL 51 Ca 0.10 -2.15 -0.00 0.00 0.00 0.00 0.00 61.98 59.93 1wwt s VAL 51 Cb -0.12 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1wwt s VAL 51 CO 0.01 -0.67 0.05 -3.20 0.00 0.00 0.00 175.10 171.29 1wwt n ASN 52 N 4.49 -1.85 -0.66 3.32 2.85 -0.94 -2.97 115.26 119.50 1wwt n ASN 52 Ca -0.00 -0.02 -0.08 0.00 -0.11 0.00 0.00 54.58 54.37 1wwt n ASN 52 Cb 0.42 -0.92 -0.03 0.00 1.24 0.00 0.00 39.78 40.48 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 1.40 -3.76 -4.01 1.20 5.15 -1.26 -4.96 115.26 109.02 1wwt n ASN 53 Ca -0.01 0.16 -0.22 0.00 -0.60 0.00 0.00 54.58 53.91 1wwt n ASN 53 Cb 0.51 -2.16 -0.16 0.00 -0.53 0.00 0.00 39.78 37.45 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 -2.31 0.88 0.21 3.44 -7.23 -1.16 -5.09 120.40 109.14 1wwt s VAL 54 Ca 0.00 -0.39 -0.31 0.00 -1.81 0.00 0.00 61.98 59.47 1wwt s VAL 54 Cb 0.00 -0.80 -0.15 0.00 0.56 0.00 0.00 36.38 35.99 1wwt s VAL 54 CO 0.00 0.28 1.02 0.52 -0.31 0.00 0.00 175.10 176.61 1wwt n VAL 55 N 3.46 1.39 -3.78 1.32 0.31 -1.26 0.18 118.33 119.95 1wwt n VAL 55 Ca -0.20 -0.35 -0.13 0.00 -0.01 0.00 0.00 64.34 63.65 1wwt n VAL 55 Cb 0.53 -0.74 -0.14 0.00 -0.91 0.00 0.00 33.84 32.58 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 -0.59 -0.13 0.42 3.52 -0.11 0.48 -4.61 118.94 117.93 1wwt s TRP 56 Ca 0.68 0.39 -0.24 0.00 1.22 0.00 0.00 56.10 58.15 1wwt s TRP 56 Cb -0.83 -0.06 -0.08 0.00 -1.50 0.00 0.00 33.47 31.01 1wwt s TRP 56 CO 0.56 -0.12 1.17 -0.51 -4.62 0.00 0.00 176.95 173.42 1wwt s ASP 57 N 0.80 6.38 0.29 5.86 1.01 -1.26 -2.72 116.67 127.03 1wwt s ASP 57 Ca -0.06 2.32 0.09 0.00 0.71 0.00 0.00 52.55 55.61 1wwt s ASP 57 Cb -0.08 -2.61 0.45 0.00 1.01 0.00 0.00 42.92 41.69 1wwt s ASP 57 CO -0.04 -0.77 1.67 -0.07 0.21 0.00 0.00 175.17 176.18 1wwt h LEU 58 N 2.39 0.11 -3.49 1.23 3.38 -1.85 -2.80 115.31 114.28 1wwt h LEU 58 Ca -0.49 -0.05 -0.35 0.00 0.09 0.00 0.00 57.88 57.08 1wwt h LEU 58 Cb 1.24 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.81 1wwt h LEU 58 CO 0.62 0.60 0.45 -0.90 0.09 0.00 0.00 178.44 179.29 1wwt n ASP 59 N -3.94 6.39 -3.70 -0.43 5.75 -1.26 -3.76 116.55 115.60 1wwt n ASP 59 Ca -0.02 -3.11 -0.12 0.00 -0.01 0.00 0.00 54.79 51.54 1wwt n ASP 59 Cb 0.53 -1.03 -0.12 0.00 -1.03 0.00 0.00 41.12 39.47 1wwt n ASP 59 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1wwt s ARG 60 N -1.97 0.27 0.42 0.11 3.52 -1.06 -5.15 118.95 115.10 1wwt s ARG 60 Ca 0.33 0.68 -0.23 0.00 -0.13 0.00 0.00 55.73 56.38 1wwt s ARG 60 Cb 0.26 -0.05 -0.09 0.00 -1.56 0.00 0.00 34.95 33.52 1wwt s ARG 60 CO -0.00 -0.18 1.05 -1.25 -0.81 0.00 0.00 175.30 174.11 1wwt s PRO 61 N 1.54 4.07 1.25 5.12 0.04 -1.26 -4.16 135.00 141.61 1wwt s PRO 61 Ca -0.08 1.49 -0.21 0.00 0.04 0.00 0.00 61.00 62.24 1wwt s PRO 61 Cb -0.10 -2.44 0.32 0.00 0.04 0.00 0.00 34.50 32.32 1wwt s PRO 61 CO -0.10 -0.22 0.73 1.28 0.04 0.00 0.00 177.00 178.73 1wwt n LEU 62 N -0.28 0.00 -0.03 -3.56 7.99 -1.03 -4.68 117.00 115.40 1wwt n LEU 62 Ca 0.06 -0.74 -0.03 0.00 -0.01 0.00 0.00 56.01 55.29 1wwt n LEU 62 Cb 0.50 -0.85 -0.03 0.00 -0.11 0.00 0.00 43.42 42.93 1wwt n LEU 62 CO 0.44 -2.65 -0.67 -0.62 -1.51 0.00 0.00 177.39 172.38 1wwt n GLU 63 N -5.12 2.20 -3.91 3.23 1.02 -1.26 -3.00 120.64 113.80 1wwt n GLU 63 Ca 0.12 0.01 0.02 0.00 -0.02 0.00 0.00 57.16 57.28 1wwt n GLU 63 Cb 0.50 -1.12 0.01 0.00 -0.02 0.00 0.00 31.44 30.81 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 -2.12 0.51 -0.48 3.49 -1.05 -1.26 -4.69 118.70 113.11 1wwt s GLU 64 Ca -0.04 -0.32 -0.44 0.00 -0.15 0.00 0.00 54.97 54.01 1wwt s GLU 64 Cb 0.02 0.15 -0.19 0.00 -0.44 0.00 0.00 34.13 33.67 1wwt s GLU 64 CO 0.18 -0.24 1.96 -0.25 0.95 0.00 0.00 175.26 177.86 1wwt n ASP 65 N -0.98 1.06 -3.03 0.83 8.00 -1.26 -4.77 116.55 116.39 1wwt n ASP 65 Ca 0.01 0.83 -0.13 0.00 0.71 0.00 0.00 54.79 56.20 1wwt n ASP 65 Cb 0.59 -0.93 -0.02 0.00 -0.02 0.00 0.00 41.12 40.75 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 -2.67 5.27 -0.06 0.00 -4.23 -1.26 -3.02 115.64 109.68 1wwt s THR 67 Ca 0.26 -0.72 0.04 0.00 -1.18 0.00 0.00 61.69 60.10 1wwt s THR 67 Cb -0.02 -3.72 -0.00 0.00 1.34 0.00 0.00 72.50 70.10 1wwt s THR 67 CO 0.19 -0.10 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.77 1wwt s LEU 68 N -3.24 1.92 -0.19 4.79 2.96 -0.63 -2.21 118.68 122.08 1wwt s LEU 68 Ca 0.34 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.82 1wwt s LEU 68 Cb -0.11 -1.06 0.08 0.00 0.50 0.00 0.00 46.19 45.61 1wwt s LEU 68 CO 0.28 0.15 0.19 -0.70 -1.32 0.00 0.00 176.35 174.95 1wwt s GLU 69 N 0.15 0.15 -0.08 1.98 2.12 -1.06 -2.14 118.70 119.82 1wwt s GLU 69 Ca -0.07 0.18 -0.30 0.00 0.36 0.00 0.00 54.97 55.14 1wwt s GLU 69 Cb -0.13 -1.24 -0.03 0.00 0.26 0.00 0.00 34.13 32.99 1wwt s GLU 69 CO 0.03 -0.62 1.17 -0.51 -0.54 0.00 0.00 175.26 174.79 1wwt s LEU 70 N 2.29 4.25 0.35 2.70 2.01 -1.26 -1.49 118.68 127.53 1wwt s LEU 70 Ca 0.06 1.73 -0.09 0.00 0.01 0.00 0.00 54.13 55.84 1wwt s LEU 70 Cb -0.15 -3.55 -0.06 0.00 0.01 0.00 0.00 46.19 42.43 1wwt s LEU 70 CO -0.11 -0.58 0.69 -0.76 1.01 0.00 0.00 176.35 176.60 1wwt s LEU 71 N 2.36 3.93 -0.10 1.79 1.02 0.11 -4.92 118.68 122.88 1wwt s LEU 71 Ca 0.54 0.99 0.06 0.00 0.02 0.00 0.00 54.13 55.75 1wwt s LEU 71 Cb -0.23 -3.84 -0.24 0.00 0.02 0.00 0.00 46.19 41.90 1wwt s LEU 71 CO 0.20 -0.31 0.46 0.29 0.02 0.00 0.00 176.35 177.01 1wwt n LYS 72 N -1.08 0.68 -3.57 1.70 5.02 -1.26 -0.65 118.16 119.00 1wwt n LYS 72 Ca 0.01 0.25 -0.01 0.00 -2.02 0.00 0.00 58.31 56.54 1wwt n LYS 72 Cb 0.54 -1.72 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 1wwt n LYS 72 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1wwt s PHE 73 N -2.57 -0.56 0.06 2.13 5.36 -1.26 -4.58 117.98 116.55 1wwt s PHE 73 Ca -0.13 1.07 -0.04 0.00 -0.96 0.00 0.00 56.93 56.88 1wwt s PHE 73 Cb 0.07 0.34 -0.02 0.00 -0.34 0.00 0.00 43.02 43.07 1wwt s PHE 73 CO 0.79 -0.28 0.06 -1.21 -1.46 0.00 0.00 175.22 173.12 1wwt s GLU 74 N 1.67 0.65 -0.67 10.12 2.02 -1.26 -5.04 118.70 126.19 1wwt s GLU 74 Ca -0.07 -1.02 0.05 0.00 0.02 0.00 0.00 54.97 53.95 1wwt s GLU 74 Cb -0.04 0.25 0.16 0.00 0.10 0.00 0.00 34.13 34.60 1wwt s GLU 74 CO -0.15 -0.16 0.45 0.16 0.02 0.00 0.00 175.26 175.58 1wwt s ASP 75 N -2.66 4.69 -0.11 -0.19 -4.77 -1.26 -5.04 116.67 107.32 1wwt s ASP 75 Ca 0.03 -3.69 -0.08 0.00 -3.30 0.00 0.00 52.55 45.51 1wwt s ASP 75 Cb 0.04 -1.62 0.04 0.00 -1.09 0.00 0.00 42.92 40.29 1wwt s ASP 75 CO -0.09 -0.11 0.28 -0.70 0.70 0.00 0.00 175.17 175.26 1wwt s GLU 76 N -1.22 0.30 0.55 2.11 2.12 -1.26 -5.12 118.70 116.18 1wwt s GLU 76 Ca 0.23 0.48 0.00 0.00 0.36 0.00 0.00 54.97 56.04 1wwt s GLU 76 Cb -0.08 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.36 1wwt s GLU 76 CO -0.13 -0.09 0.00 -1.91 -0.54 0.00 0.00 175.26 172.58 1wwt n GLU 77 N 3.49 -3.11 0.00 4.30 4.07 -1.26 -4.81 120.64 123.32 1wwt n GLU 77 Ca -0.18 2.47 0.00 0.00 -0.06 0.00 0.00 57.16 59.40 1wwt n GLU 77 Cb 0.56 -3.70 0.00 0.00 -0.06 0.00 0.00 31.44 28.24 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 -3.93 2.73 -0.37 4.31 0.00 -1.26 -4.77 120.51 117.22 1wwt n ALA 78 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 1wwt n ALA 78 Cb 0.66 0.03 0.09 0.00 0.00 0.00 0.00 19.45 20.23 1wwt n ALA 78 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1wwt n GLN 79 N -2.27 1.73 -2.32 0.00 7.27 -1.26 -3.84 117.38 116.69 1wwt n GLN 79 Ca 0.00 -1.68 -0.03 0.00 0.07 0.00 0.00 57.00 55.36 1wwt n GLN 79 Cb 0.03 -1.66 0.04 0.00 2.41 0.00 0.00 30.24 31.06 1wwt n GLN 79 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wwt n ALA 80 N -0.29 -0.67 -0.05 1.69 0.00 -1.26 -4.98 120.51 114.95 1wwt n ALA 80 Ca 0.33 -0.54 -0.06 0.00 0.00 0.00 0.00 53.44 53.17 1wwt n ALA 80 Cb 1.04 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 1wwt n ALA 80 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1wwt n VAL 81 N -0.58 0.64 -3.08 0.00 0.24 -1.25 -4.82 118.33 109.48 1wwt n VAL 81 Ca -0.14 -0.34 -0.00 0.00 -2.04 0.00 0.00 64.34 61.82 1wwt n VAL 81 Cb 0.68 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 1wwt n VAL 81 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1wwt n TYR 82 N -2.51 -0.02 -0.04 6.34 4.02 -1.26 -4.65 117.16 119.04 1wwt n TYR 82 Ca -0.17 0.01 -0.08 0.00 -0.01 0.00 0.00 57.90 57.65 1wwt n TYR 82 Cb 0.77 -0.96 -0.07 0.00 -0.02 0.00 0.00 39.34 39.06 1wwt n TYR 82 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1wwt h SER 83 N 3.47 -0.04 -5.20 7.72 0.87 -1.94 -3.44 113.55 114.99 1wwt h SER 83 Ca -0.00 -0.48 -0.05 0.00 -1.23 0.00 0.00 61.79 60.03 1wwt h SER 83 Cb 0.96 0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 62.84 1wwt h SER 83 CO 0.00 0.68 -0.09 -0.83 -0.53 0.00 0.00 176.83 176.07 1wwt s GLY 84 N -3.78 0.37 -0.02 5.77 0.00 -1.26 -4.97 107.32 103.43 1wwt s GLY 84 Ca -0.10 -0.72 -0.30 0.00 0.00 0.00 0.00 44.72 43.60 1wwt s GLY 84 CO 0.38 -0.54 1.20 2.56 0.00 0.00 0.00 173.10 176.70 1wwt s PRO 85 N -3.98 4.38 -0.07 2.90 0.04 -1.26 -4.94 135.00 132.07 1wwt s PRO 85 Ca 0.19 1.71 -0.25 0.00 0.04 0.00 0.00 61.00 62.68 1wwt s PRO 85 Cb -0.01 -3.50 -0.26 0.00 0.04 0.00 0.00 34.50 30.77 1wwt s PRO 85 CO 0.06 -0.39 0.92 1.03 0.04 0.00 0.00 177.00 178.66 1wwt h SER 86 N 7.28 0.24 -5.36 6.66 0.87 -2.04 -3.49 113.55 117.71 1wwt h SER 86 Ca -0.37 -0.89 0.01 0.00 -1.23 0.00 0.00 61.79 59.31 1wwt h SER 86 Cb 1.18 -0.08 -0.09 0.00 -0.44 0.00 0.00 62.40 62.97 1wwt h SER 86 CO 0.86 1.11 -1.13 -1.20 -0.53 0.00 0.00 176.83 175.93 1wwt n SER 87 N -4.42 -2.80 0.00 6.23 7.64 -1.26 -5.32 113.62 113.70 1wwt n SER 87 Ca -0.11 1.23 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1wwt n SER 87 Cb 0.59 -4.18 0.00 0.00 -1.01 0.00 0.00 64.21 59.61 1wwt n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64