#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 -0.53 0.13 1.61 0.01 -1.26 -5.18 113.70 108.48 1wwt s SER 2 Ca 0.00 0.95 -0.20 0.00 1.31 0.00 0.00 55.95 58.01 1wwt s SER 2 Cb 0.00 0.93 0.05 0.00 0.21 0.00 0.00 66.02 67.22 1wwt s SER 2 CO 0.00 -0.24 0.51 -0.44 0.41 0.00 0.00 173.24 173.48 1wwt s SER 3 N -0.02 -0.42 0.52 2.44 0.01 -1.26 -5.18 113.70 109.79 1wwt s SER 3 Ca 0.01 -0.09 -0.00 0.00 1.31 0.00 0.00 55.95 57.17 1wwt s SER 3 Cb -0.04 0.53 0.01 0.00 0.21 0.00 0.00 66.02 66.73 1wwt s SER 3 CO -0.02 -0.89 0.05 0.61 0.41 0.00 0.00 173.24 173.40 1wwt n GLY 4 N -0.20 0.37 2.64 3.44 0.00 -1.26 -5.10 105.19 105.08 1wwt n GLY 4 Ca -0.17 -1.90 -0.24 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.19 2.61 0.27 1.61 0.01 -1.26 -5.13 113.70 110.62 1wwt s SER 5 Ca 0.03 -0.94 -0.29 0.00 1.31 0.00 0.00 55.95 56.06 1wwt s SER 5 Cb -0.00 0.00 -0.09 0.00 0.21 0.00 0.00 66.02 66.14 1wwt s SER 5 CO 0.02 -0.40 1.06 -0.55 0.41 0.00 0.00 173.24 173.78 1wwt s SER 6 N 2.21 7.35 -0.14 2.44 0.15 -1.26 -4.97 113.70 119.47 1wwt s SER 6 Ca 0.08 2.18 -0.29 0.00 0.70 0.00 0.00 55.95 58.62 1wwt s SER 6 Cb -0.15 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.51 1wwt s SER 6 CO -0.30 -0.08 1.47 -0.83 1.20 0.00 0.00 173.24 174.70 1wwt s GLY 7 N -0.98 1.51 -0.27 9.45 0.00 -1.26 -4.97 107.32 110.80 1wwt s GLY 7 Ca 0.44 0.61 -0.05 0.00 0.00 0.00 0.00 44.72 45.71 1wwt s GLY 7 CO 0.38 2.79 0.54 -0.35 0.00 0.00 0.00 173.10 176.46 1wwt s ASP 8 N 2.93 -0.79 1.25 1.64 2.15 -1.26 -5.16 116.67 117.42 1wwt s ASP 8 Ca 0.64 1.00 -0.20 0.00 0.43 0.00 0.00 52.55 54.43 1wwt s ASP 8 Cb -0.26 1.86 0.30 0.00 -0.30 0.00 0.00 42.92 44.52 1wwt s ASP 8 CO 0.23 -0.25 1.08 -0.94 -0.17 0.00 0.00 175.17 175.12 1wwt s SER 9 N 2.77 0.50 0.01 -0.34 1.04 -1.26 -5.05 113.70 111.36 1wwt s SER 9 Ca 0.07 0.67 -0.28 0.00 0.48 0.00 0.00 55.95 56.89 1wwt s SER 9 Cb -0.14 -0.93 0.10 0.00 0.10 0.00 0.00 66.02 65.15 1wwt s SER 9 CO -0.18 -4.39 0.82 -1.59 0.98 0.00 0.00 173.24 168.88 1wwt s LYS 10 N -5.34 0.91 -0.44 4.02 -2.85 -1.26 -4.95 119.74 109.82 1wwt s LYS 10 Ca 0.71 -0.23 -0.29 0.00 -1.00 0.00 0.00 55.97 55.16 1wwt s LYS 10 Cb -0.10 0.42 0.01 0.00 -2.06 0.00 0.00 37.83 36.10 1wwt s LYS 10 CO 0.56 -0.38 1.43 -1.25 0.10 0.00 0.00 175.35 175.82 1wwt s PRO 11 N -2.81 3.49 0.36 1.78 0.04 -1.26 -0.88 135.00 135.73 1wwt s PRO 11 Ca 0.02 0.84 0.07 0.00 0.04 0.00 0.00 61.00 61.97 1wwt s PRO 11 Cb -0.01 -4.06 -0.02 0.00 0.04 0.00 0.00 34.50 30.46 1wwt s PRO 11 CO -0.07 -1.67 0.39 0.96 0.04 0.00 0.00 177.00 176.65 1wwt s ILE 12 N 5.68 3.39 -0.08 0.56 -4.36 0.53 -4.94 121.20 121.98 1wwt s ILE 12 Ca 0.60 -1.23 0.03 0.00 -0.26 0.00 0.00 60.65 59.79 1wwt s ILE 12 Cb -0.13 -3.17 -0.02 0.00 1.25 0.00 0.00 42.46 40.39 1wwt s ILE 12 CO 0.31 -0.11 -0.16 -0.75 0.24 0.00 0.00 174.94 174.48 1wwt s LYS 13 N -4.11 2.79 -0.16 0.37 2.20 -1.26 -0.40 119.74 119.17 1wwt s LYS 13 Ca 0.45 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 55.33 1wwt s LYS 13 Cb -0.07 -2.42 0.04 0.00 -1.51 0.00 0.00 37.83 33.87 1wwt s LYS 13 CO 0.29 0.45 -0.05 0.08 -0.36 0.00 0.00 175.35 175.76 1wwt s VAL 14 N -0.29 1.02 0.07 4.02 1.01 -0.37 -2.14 120.40 123.73 1wwt s VAL 14 Ca 0.02 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.23 1wwt s VAL 14 Cb -0.13 -1.20 -0.06 0.00 0.00 0.00 0.00 36.38 34.98 1wwt s VAL 14 CO 0.03 0.14 0.66 -0.89 0.00 0.00 0.00 175.10 175.03 1wwt s THR 15 N 1.67 4.69 0.75 3.92 2.01 -1.20 -0.31 115.64 127.18 1wwt s THR 15 Ca 0.01 1.41 -0.11 0.00 0.31 0.00 0.00 61.69 63.32 1wwt s THR 15 Cb -0.15 -4.00 0.04 0.00 0.01 0.00 0.00 72.50 68.40 1wwt s THR 15 CO -0.08 0.48 1.08 -0.76 -0.69 0.00 0.00 174.62 174.65 1wwt s LEU 16 N -0.70 2.94 0.00 4.42 1.43 0.51 -0.86 118.68 126.42 1wwt s LEU 16 Ca 0.33 1.62 0.21 0.00 -1.03 0.00 0.00 54.13 55.25 1wwt s LEU 16 Cb -0.20 -4.36 1.23 0.00 0.03 0.00 0.00 46.19 42.88 1wwt s LEU 16 CO 0.21 -1.81 1.64 -0.81 0.23 0.00 0.00 176.35 175.82 1wwt n PRO 17 N -3.36 0.75 0.00 1.29 -0.04 -0.90 -1.80 135.00 130.93 1wwt n PRO 17 Ca 0.08 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.62 1wwt n PRO 17 Cb 0.54 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.93 1.29 0.00 3.54 9.92 -1.26 -4.95 116.55 124.16 1wwt n ASP 18 Ca 0.15 -1.14 0.00 0.00 -0.53 0.00 0.00 54.79 53.27 1wwt n ASP 18 Cb 0.07 0.74 0.00 0.00 -0.64 0.00 0.00 41.12 41.29 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 1.32 1.17 4.00 0.44 0.00 -0.75 -5.10 105.19 106.27 1wwt n GLY 19 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1wwt n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wwt s LYS 20 N -0.13 2.94 0.08 1.61 1.02 -1.24 -4.85 119.74 119.17 1wwt s LYS 20 Ca 0.00 -1.10 0.09 0.00 0.02 0.00 0.00 55.97 54.99 1wwt s LYS 20 Cb 0.00 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 1wwt s LYS 20 CO 0.00 -0.16 -0.25 -0.65 -0.92 0.00 0.00 175.35 173.37 1wwt s GLN 21 N -4.31 1.55 0.05 1.68 -0.21 -1.26 0.19 119.66 117.36 1wwt s GLN 21 Ca 0.51 -1.17 -0.03 0.00 0.02 0.00 0.00 55.36 54.69 1wwt s GLN 21 Cb -0.10 -1.83 -0.02 0.00 1.00 0.00 0.00 33.01 32.05 1wwt s GLN 21 CO 0.33 0.46 0.04 0.08 -2.12 0.00 0.00 175.29 174.07 1wwt s VAL 22 N -0.91 0.17 -0.19 1.09 1.01 0.58 -4.86 120.40 117.28 1wwt s VAL 22 Ca 0.11 -1.44 -0.08 0.00 0.00 0.00 0.00 61.98 60.58 1wwt s VAL 22 Cb -0.10 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1wwt s VAL 22 CO 0.03 -0.79 0.07 1.51 0.00 0.00 0.00 175.10 175.92 1wwt s ASP 23 N -2.58 5.61 0.31 3.32 -4.77 -1.26 -1.24 116.67 116.07 1wwt s ASP 23 Ca 0.02 0.06 0.06 0.00 -3.30 0.00 0.00 52.55 49.39 1wwt s ASP 23 Cb 0.03 -1.97 -0.03 0.00 -1.09 0.00 0.00 42.92 39.87 1wwt s ASP 23 CO -0.08 0.15 0.26 0.00 0.70 0.00 0.00 175.17 176.20 1wwt s ALA 24 N 0.49 1.79 -0.02 2.11 0.00 0.46 -4.93 121.76 121.67 1wwt s ALA 24 Ca 0.03 -2.02 0.01 0.00 0.00 0.00 0.00 51.96 49.98 1wwt s ALA 24 Cb -0.13 1.46 0.01 0.00 0.00 0.00 0.00 23.12 24.47 1wwt s ALA 24 CO 0.01 -0.65 -0.02 -1.21 0.00 0.00 0.00 175.76 173.89 1wwt s GLU 25 N -3.54 0.32 0.21 0.00 2.02 -1.26 0.20 118.70 116.65 1wwt s GLU 25 Ca 0.40 -0.03 -0.32 0.00 0.02 0.00 0.00 54.97 55.05 1wwt s GLU 25 Cb 0.03 -0.41 -0.12 0.00 0.10 0.00 0.00 34.13 33.73 1wwt s GLU 25 CO 0.26 -0.04 1.72 -1.13 0.02 0.00 0.00 175.26 176.09 1wwt n SER 26 N 3.61 4.00 -3.02 -0.19 3.41 -0.06 -0.84 113.62 120.53 1wwt n SER 26 Ca -0.20 1.06 -0.22 0.00 -0.26 0.00 0.00 58.87 59.24 1wwt n SER 26 Cb 0.54 -1.58 0.03 0.00 -0.26 0.00 0.00 64.21 62.95 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 3.92 -1.93 0.04 7.33 7.02 -0.73 -4.11 117.44 128.98 1wwt n TRP 27 Ca 0.16 0.50 0.00 0.00 -1.02 0.00 0.00 57.50 57.14 1wwt n TRP 27 Cb 0.35 -4.39 0.00 0.00 -2.42 0.00 0.00 31.31 24.85 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 -3.98 0.00 -3.69 -0.99 5.02 -0.02 -4.98 118.16 109.52 1wwt n LYS 28 Ca -0.11 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.89 1wwt n LYS 28 Cb 0.62 -0.01 -0.04 0.00 -0.02 0.00 0.00 35.03 35.58 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 -1.28 5.20 0.45 -0.18 2.01 -0.17 -4.89 115.64 116.77 1wwt s THR 29 Ca 0.00 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.78 1wwt s THR 29 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1wwt s THR 29 CO 0.00 -0.11 0.03 0.42 -0.69 0.00 0.00 174.62 174.27 1wwt s THR 30 N -1.81 1.32 0.20 -0.82 -4.23 -1.26 -1.26 115.64 107.78 1wwt s THR 30 Ca 0.39 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.00 1wwt s THR 30 Cb -0.11 -2.49 -0.06 0.00 1.34 0.00 0.00 72.50 71.17 1wwt s THR 30 CO 0.28 0.00 1.51 1.55 -0.54 0.00 0.00 174.62 177.42 1wwt h PRO 31 N 1.61 0.00 -0.14 3.99 0.13 -1.75 -2.62 132.00 133.21 1wwt h PRO 31 Ca -0.42 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 1wwt h PRO 31 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1wwt h PRO 31 CO 0.73 0.71 -0.26 -0.92 -0.23 0.00 0.00 178.00 178.03 1wwt h TYR 32 N 0.00 0.28 0.09 1.56 3.20 -1.88 -2.74 116.97 117.48 1wwt h TYR 32 Ca -0.01 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 1wwt h TYR 32 Cb 1.29 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.49 1wwt h TYR 32 CO 0.00 0.50 -0.04 1.96 -1.64 0.00 0.00 178.16 178.94 1wwt h GLN 33 N 0.23 -0.11 -0.99 1.82 4.20 -1.83 -2.58 115.11 115.85 1wwt h GLN 33 Ca 0.04 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.84 1wwt h GLN 33 Cb 0.59 0.03 -0.12 0.00 0.30 0.00 0.00 27.48 28.27 1wwt h GLN 33 CO 0.04 0.27 -0.59 0.82 -0.67 0.00 0.00 178.83 178.71 1wwt h ILE 34 N -0.97 0.00 0.26 2.54 2.04 -1.47 1.15 117.51 121.05 1wwt h ILE 34 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1wwt h ILE 34 Cb 0.44 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 1wwt h ILE 34 CO 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 178.15 177.72 1wwt h ALA 35 N 0.49 -0.88 -0.67 1.87 0.00 -1.62 -2.20 119.26 116.23 1wwt h ALA 35 Ca 0.16 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1wwt h ALA 35 Cb 0.41 0.70 -0.11 0.00 0.00 0.00 0.00 17.79 18.79 1wwt h ALA 35 CO -0.93 -1.05 -0.50 0.00 0.00 0.00 0.00 179.25 176.77 1wwt n GLY 37 N -1.37 -1.94 0.16 0.00 0.00 0.37 -0.77 105.19 101.63 1wwt n GLY 37 Ca 0.01 1.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.99 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 -2.40 -0.61 2.04 -0.26 -3.44 117.51 112.84 1wwt h ILE 38 Ca 0.27 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.07 1wwt h ILE 38 Cb 0.49 0.00 -0.24 0.00 -0.74 0.00 0.00 36.82 36.33 1wwt h ILE 38 CO -0.87 0.00 -0.17 -0.44 0.00 0.00 0.00 178.15 176.67 1wwt s SER 39 N -3.31 -0.68 0.15 1.72 0.01 0.05 -5.13 113.70 106.50 1wwt s SER 39 Ca -0.05 1.13 -0.31 0.00 1.31 0.00 0.00 55.95 58.03 1wwt s SER 39 Cb 0.02 1.01 -0.08 0.00 0.21 0.00 0.00 66.02 67.18 1wwt s SER 39 CO 0.20 -0.21 1.34 -1.10 0.41 0.00 0.00 173.24 173.88 1wwt s GLN 40 N 1.45 4.36 0.00 12.44 -0.21 -1.17 -3.57 119.66 132.96 1wwt s GLN 40 Ca -0.09 2.04 0.00 0.00 0.02 0.00 0.00 55.36 57.33 1wwt s GLN 40 Cb -0.07 -3.23 0.00 0.00 1.00 0.00 0.00 33.01 30.71 1wwt s GLN 40 CO -0.15 -0.34 0.00 0.41 -2.12 0.00 0.00 175.29 173.09 1wwt n GLY 41 N 2.94 3.28 0.35 3.09 0.00 -1.26 -4.93 105.19 108.65 1wwt n GLY 41 Ca 0.09 -0.83 0.07 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.84 -0.70 0.99 6.46 -1.93 1.18 115.31 120.48 1wwt h LEU 42 Ca 0.00 0.29 0.14 0.00 -0.12 0.00 0.00 57.88 58.19 1wwt h LEU 42 Cb 0.00 0.58 -0.13 0.00 -0.73 0.00 0.00 40.66 40.38 1wwt h LEU 42 CO 0.00 -0.33 -0.17 0.00 -0.62 0.00 0.00 178.44 177.33 1wwt h ALA 43 N 1.97 0.48 -0.16 1.25 0.00 -1.90 1.44 119.26 122.33 1wwt h ALA 43 Ca 0.49 0.27 0.05 0.00 0.00 0.00 0.00 54.91 55.72 1wwt h ALA 43 Cb 0.79 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1wwt h ALA 43 CO -0.99 -0.42 -0.23 0.22 0.00 0.00 0.00 179.25 177.83 1wwt h ASP 44 N 0.00 -0.73 -0.37 0.00 1.82 0.10 -1.52 116.42 115.73 1wwt h ASP 44 Ca 0.34 0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 57.10 1wwt h ASP 44 Cb 0.52 0.33 -0.02 0.00 0.68 0.00 0.00 39.33 40.84 1wwt h ASP 44 CO -0.71 -0.28 0.22 -1.13 -1.61 0.00 0.00 179.24 175.73 1wwt h ASN 45 N -0.28 0.44 -2.44 2.28 -1.24 -0.04 -3.43 115.58 110.88 1wwt h ASN 45 Ca 0.11 -0.05 -0.51 0.00 0.71 0.00 0.00 56.30 56.56 1wwt h ASN 45 Cb 0.44 -0.11 0.23 0.00 0.73 0.00 0.00 38.32 39.62 1wwt h ASN 45 CO -0.32 0.37 -1.35 0.41 -1.29 0.00 0.00 177.43 175.24 1wwt n THR 46 N -4.79 0.00 0.03 -3.57 -1.04 0.46 -4.82 114.28 100.54 1wwt n THR 46 Ca -0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1wwt n THR 46 Cb 0.05 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 1wwt n THR 46 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1wwt n VAL 47 N -3.48 0.52 -3.81 12.58 0.24 -0.77 -4.94 118.33 118.66 1wwt n VAL 47 Ca 0.02 0.17 -0.13 0.00 -2.04 0.00 0.00 64.34 62.36 1wwt n VAL 47 Cb 0.59 -1.15 -0.14 0.00 -1.47 0.00 0.00 33.84 31.67 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 -1.48 -0.03 -0.02 1.34 -1.09 -1.26 -4.90 121.20 113.76 1wwt s ILE 48 Ca 0.00 0.10 -0.18 0.00 -2.23 0.00 0.00 60.65 58.34 1wwt s ILE 48 Cb 0.00 -0.12 -0.05 0.00 -1.58 0.00 0.00 42.46 40.71 1wwt s ILE 48 CO 0.00 0.04 0.50 0.00 -1.23 0.00 0.00 174.94 174.25 1wwt s ALA 49 N 0.58 3.56 -0.22 9.38 0.00 -1.11 -1.36 121.76 132.59 1wwt s ALA 49 Ca -0.05 -0.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 1wwt s ALA 49 Cb -0.06 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 1wwt s ALA 49 CO -0.02 0.25 0.18 0.15 0.00 0.00 0.00 175.76 176.32 1wwt s LYS 50 N -0.35 4.11 -0.41 0.00 1.02 0.71 0.11 119.74 124.92 1wwt s LYS 50 Ca 0.27 -0.20 -0.04 0.00 0.02 0.00 0.00 55.97 56.02 1wwt s LYS 50 Cb -0.17 -3.51 0.11 0.00 -0.52 0.00 0.00 37.83 33.74 1wwt s LYS 50 CO 0.14 0.11 0.22 0.08 -0.92 0.00 0.00 175.35 174.98 1wwt s VAL 51 N 0.90 3.42 0.00 3.17 1.01 0.49 -1.96 120.40 127.43 1wwt s VAL 51 Ca 0.09 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.07 1wwt s VAL 51 Cb -0.13 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1wwt s VAL 51 CO 0.03 -0.69 0.00 -3.20 0.00 0.00 0.00 175.10 171.24 1wwt n ASN 52 N 4.64 -1.22 -0.59 3.32 2.85 -0.87 -3.12 115.26 120.27 1wwt n ASN 52 Ca -0.03 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.37 1wwt n ASN 52 Cb 0.41 -0.50 -0.02 0.00 1.24 0.00 0.00 39.78 40.91 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 1.89 -3.48 -4.08 1.20 2.85 -1.26 -4.97 115.26 107.40 1wwt n ASN 53 Ca 0.00 0.12 -0.20 0.00 -0.11 0.00 0.00 54.58 54.39 1wwt n ASN 53 Cb 0.50 -1.92 -0.14 0.00 1.24 0.00 0.00 39.78 39.46 1wwt n ASN 53 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1wwt s VAL 54 N -2.27 0.93 0.21 3.44 -7.23 -1.18 -5.08 120.40 109.22 1wwt s VAL 54 Ca 0.00 -0.63 -0.32 0.00 -1.81 0.00 0.00 61.98 59.22 1wwt s VAL 54 Cb 0.00 -0.81 -0.14 0.00 0.56 0.00 0.00 36.38 36.00 1wwt s VAL 54 CO 0.00 0.17 1.44 0.52 -0.31 0.00 0.00 175.10 176.92 1wwt n VAL 55 N 2.53 0.67 -3.72 1.32 0.31 -1.26 0.18 118.33 118.36 1wwt n VAL 55 Ca -0.15 -0.17 -0.18 0.00 -0.01 0.00 0.00 64.34 63.84 1wwt n VAL 55 Cb 0.56 -1.44 -0.17 0.00 -0.91 0.00 0.00 33.84 31.88 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 0.04 0.45 3.52 -0.11 0.30 -4.66 118.94 118.68 1wwt s TRP 56 Ca 0.72 0.20 -0.25 0.00 1.22 0.00 0.00 56.10 57.99 1wwt s TRP 56 Cb -0.68 -0.36 -0.08 0.00 -1.50 0.00 0.00 33.47 30.85 1wwt s TRP 56 CO 0.47 -0.14 1.38 -0.51 -4.62 0.00 0.00 176.95 173.53 1wwt s ASP 57 N 1.64 5.94 0.22 5.86 1.11 -1.26 -2.76 116.67 127.41 1wwt s ASP 57 Ca -0.02 2.82 -0.04 0.00 0.18 0.00 0.00 52.55 55.50 1wwt s ASP 57 Cb -0.12 -2.65 0.22 0.00 1.07 0.00 0.00 42.92 41.44 1wwt s ASP 57 CO -0.03 -1.12 1.65 -0.07 1.18 0.00 0.00 175.17 176.78 1wwt h LEU 58 N 2.33 0.77 -4.23 1.23 3.38 -1.89 -2.95 115.31 113.94 1wwt h LEU 58 Ca -0.50 -0.26 -0.36 0.00 0.09 0.00 0.00 57.88 56.84 1wwt h LEU 58 Cb 1.26 -0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.67 1wwt h LEU 58 CO 0.61 0.95 0.10 -0.67 0.09 0.00 0.00 178.44 179.53 1wwt n ASP 59 N -4.13 6.00 -3.67 -0.43 -0.08 -1.26 -3.56 116.55 109.43 1wwt n ASP 59 Ca 0.00 -2.92 -0.08 0.00 -1.51 0.00 0.00 54.79 50.29 1wwt n ASP 59 Cb 0.41 -1.29 -0.09 0.00 2.34 0.00 0.00 41.12 42.50 1wwt n ASP 59 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1wwt s ARG 60 N -0.71 0.54 0.42 -0.67 3.52 -1.12 -5.14 118.95 115.80 1wwt s ARG 60 Ca 0.58 1.04 -0.23 0.00 -0.13 0.00 0.00 55.73 57.00 1wwt s ARG 60 Cb 0.34 0.13 -0.09 0.00 -1.56 0.00 0.00 34.95 33.77 1wwt s ARG 60 CO -0.12 -0.16 1.05 -1.25 -0.81 0.00 0.00 175.30 174.00 1wwt s PRO 61 N 1.68 4.06 1.25 5.12 0.04 -1.26 -4.01 135.00 141.88 1wwt s PRO 61 Ca -0.09 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.23 1wwt s PRO 61 Cb -0.07 -2.42 0.32 0.00 0.04 0.00 0.00 34.50 32.37 1wwt s PRO 61 CO -0.16 -0.23 0.72 1.28 0.04 0.00 0.00 177.00 178.65 1wwt n LEU 62 N -0.32 0.00 -0.01 -3.56 7.99 -0.39 -4.59 117.00 116.12 1wwt n LEU 62 Ca 0.06 -0.73 -0.01 0.00 -0.01 0.00 0.00 56.01 55.32 1wwt n LEU 62 Cb 0.50 -0.85 -0.01 0.00 -0.11 0.00 0.00 43.42 42.95 1wwt n LEU 62 CO 0.44 -2.65 -0.57 -0.62 -1.51 0.00 0.00 177.39 172.48 1wwt n GLU 63 N -4.93 1.05 -3.89 3.23 1.02 -1.26 -1.77 120.64 114.08 1wwt n GLU 63 Ca 0.11 0.01 -0.02 0.00 -0.02 0.00 0.00 57.16 57.25 1wwt n GLU 63 Cb 0.50 -1.04 0.01 0.00 -0.02 0.00 0.00 31.44 30.89 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 -2.04 1.09 -0.46 3.49 -1.05 -1.26 -4.57 118.70 113.91 1wwt s GLU 64 Ca -0.02 -0.70 -0.44 0.00 -0.15 0.00 0.00 54.97 53.66 1wwt s GLU 64 Cb 0.01 0.31 -0.18 0.00 -0.44 0.00 0.00 34.13 33.83 1wwt s GLU 64 CO 0.06 -0.51 1.91 -0.25 0.95 0.00 0.00 175.26 177.42 1wwt n ASP 65 N -1.13 1.25 -3.06 0.83 8.00 -1.26 -4.81 116.55 116.36 1wwt n ASP 65 Ca -0.02 0.87 -0.13 0.00 0.71 0.00 0.00 54.79 56.22 1wwt n ASP 65 Cb 0.59 -0.96 -0.02 0.00 -0.02 0.00 0.00 41.12 40.72 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 -2.70 4.63 -0.14 0.00 -4.23 -1.26 -3.23 115.64 108.70 1wwt s THR 67 Ca 0.26 -0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 60.29 1wwt s THR 67 Cb -0.02 -3.11 -0.03 0.00 1.34 0.00 0.00 72.50 70.68 1wwt s THR 67 CO 0.18 0.35 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.35 1wwt s LEU 68 N -1.72 3.27 -0.20 4.79 2.96 -0.04 -2.04 118.68 125.69 1wwt s LEU 68 Ca 0.22 -0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1wwt s LEU 68 Cb -0.12 -1.78 0.08 0.00 0.50 0.00 0.00 46.19 44.88 1wwt s LEU 68 CO 0.13 0.20 0.16 -0.70 -1.32 0.00 0.00 176.35 174.83 1wwt s GLU 69 N 0.16 0.15 0.01 1.98 2.12 -0.83 -2.11 118.70 120.17 1wwt s GLU 69 Ca -0.01 -0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.01 1wwt s GLU 69 Cb -0.14 -1.43 -0.03 0.00 0.26 0.00 0.00 34.13 32.80 1wwt s GLU 69 CO 0.03 -0.72 0.98 -0.51 -0.54 0.00 0.00 175.26 174.50 1wwt s LEU 70 N 2.23 4.38 0.37 2.70 2.01 -1.26 -0.21 118.68 128.90 1wwt s LEU 70 Ca 0.05 1.67 -0.11 0.00 0.01 0.00 0.00 54.13 55.76 1wwt s LEU 70 Cb -0.16 -3.57 -0.07 0.00 0.01 0.00 0.00 46.19 42.40 1wwt s LEU 70 CO -0.15 -0.25 0.74 -0.76 1.01 0.00 0.00 176.35 176.94 1wwt s LEU 71 N 0.93 3.91 -0.15 1.79 1.02 -0.46 -4.95 118.68 120.77 1wwt s LEU 71 Ca 0.52 1.13 -0.26 0.00 0.02 0.00 0.00 54.13 55.53 1wwt s LEU 71 Cb -0.21 -3.98 -0.23 0.00 0.02 0.00 0.00 46.19 41.79 1wwt s LEU 71 CO 0.28 -0.33 0.62 0.11 0.02 0.00 0.00 176.35 177.06 1wwt h LYS 72 N 1.57 0.00 0.00 1.70 1.57 -1.89 -2.06 116.57 117.46 1wwt h LYS 72 Ca -0.47 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.20 1wwt h LYS 72 Cb 1.18 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.40 1wwt h LYS 72 CO 0.65 0.93 -0.11 1.19 -0.57 0.00 0.00 179.45 181.54 1wwt n PHE 73 N -4.59 -1.14 -3.74 -1.35 3.72 -1.26 -4.36 117.46 104.74 1wwt n PHE 73 Ca -0.13 -1.00 -0.37 0.00 -0.05 0.00 0.00 57.45 55.90 1wwt n PHE 73 Cb 0.48 1.17 -0.11 0.00 -0.94 0.00 0.00 39.48 40.08 1wwt n PHE 73 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1wwt s GLU 74 N 0.08 2.11 -0.44 -1.08 0.41 -1.26 -4.97 118.70 113.55 1wwt s GLU 74 Ca 0.07 -1.79 0.05 0.00 -0.41 0.00 0.00 54.97 52.90 1wwt s GLU 74 Cb 0.22 -3.64 0.17 0.00 -1.78 0.00 0.00 34.13 29.11 1wwt s GLU 74 CO -0.06 -1.08 0.51 0.34 -0.49 0.00 0.00 175.26 174.49 1wwt s ASP 75 N 1.96 0.05 -0.01 -0.19 -1.08 -1.26 -4.69 116.67 111.46 1wwt s ASP 75 Ca 0.07 -1.94 0.09 0.00 -0.52 0.00 0.00 52.55 50.26 1wwt s ASP 75 Cb -0.23 0.91 -0.12 0.00 -1.46 0.00 0.00 42.92 42.01 1wwt s ASP 75 CO -0.03 -0.15 0.30 -1.84 0.52 0.00 0.00 175.17 173.96 1wwt n GLU 76 N 3.45 2.14 -2.37 4.34 0.28 -1.26 -4.93 120.64 122.30 1wwt n GLU 76 Ca 0.18 -0.04 -0.42 0.00 -0.16 0.00 0.00 57.16 56.72 1wwt n GLU 76 Cb 0.51 -1.08 -0.02 0.00 1.43 0.00 0.00 31.44 32.28 1wwt n GLU 76 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1wwt s GLU 77 N -2.26 3.38 1.01 3.44 2.12 -1.26 -5.00 118.70 120.13 1wwt s GLU 77 Ca 0.00 0.60 -0.17 0.00 0.36 0.00 0.00 54.97 55.77 1wwt s GLU 77 Cb 0.06 -4.10 0.21 0.00 0.26 0.00 0.00 34.13 30.57 1wwt s GLU 77 CO 0.38 -1.83 1.27 0.00 -0.54 0.00 0.00 175.26 174.54 1wwt s ALA 78 N 5.91 1.87 -0.02 6.30 0.00 -1.26 -4.73 121.76 129.83 1wwt s ALA 78 Ca 0.55 -1.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 1wwt s ALA 78 Cb -0.12 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.20 1wwt s ALA 78 CO 0.27 -2.68 0.04 1.04 0.00 0.00 0.00 175.76 174.44 1wwt n GLN 79 N -3.98 -2.96 -2.83 0.00 6.02 -1.26 -4.83 117.38 107.53 1wwt n GLN 79 Ca 0.14 2.37 -0.00 0.00 -0.01 0.00 0.00 57.00 59.51 1wwt n GLN 79 Cb 0.59 -3.08 -0.00 0.00 1.02 0.00 0.00 30.24 28.77 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 1.05 -3.13 0.00 -1.58 0.00 -1.26 -4.93 120.51 110.66 1wwt n ALA 80 Ca -0.06 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1wwt n ALA 80 Cb 0.10 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.87 0.00 -3.69 0.00 3.14 -1.26 -4.95 118.33 112.45 1wwt n VAL 81 Ca -0.01 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.25 1wwt n VAL 81 Cb 0.13 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 32.82 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 -1.13 -0.63 0.00 1.45 6.14 -1.26 -4.86 117.35 117.05 1wwt s TYR 82 Ca 0.00 1.46 0.00 0.00 0.64 0.00 0.00 57.07 59.17 1wwt s TYR 82 Cb 0.00 0.26 0.00 0.00 0.42 0.00 0.00 41.96 42.64 1wwt s TYR 82 CO 0.00 -0.32 0.00 0.43 0.64 0.00 0.00 175.55 176.30 1wwt n SER 83 N 3.26 0.00 0.00 4.32 7.64 -1.26 -4.99 113.62 122.58 1wwt n SER 83 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1wwt n SER 83 Cb 0.56 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 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 -1.32 1.67 3.59 0.23 0.00 -1.26 -4.90 105.19 103.19 1wwt n GLY 84 Ca 0.00 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 -3.26 3.41 -0.01 1.61 0.04 -1.26 -4.99 135.00 130.55 1wwt s PRO 85 Ca 0.00 0.74 0.01 0.00 0.04 0.00 0.00 61.00 61.79 1wwt s PRO 85 Cb 0.00 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 1wwt s PRO 85 CO 0.00 -1.78 0.03 -1.54 0.04 0.00 0.00 177.00 173.75 1wwt s SER 86 N 4.39 5.31 -0.23 6.66 1.04 -1.26 -4.83 113.70 124.78 1wwt s SER 86 Ca 0.59 0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.99 1wwt s SER 86 Cb -0.13 -1.44 0.03 0.00 0.10 0.00 0.00 66.02 64.58 1wwt s SER 86 CO 0.29 0.28 0.15 -1.20 0.98 0.00 0.00 173.24 173.74 1wwt n SER 87 N 1.37 -3.35 0.00 7.02 7.64 -1.26 -5.30 113.62 119.74 1wwt n SER 87 Ca -0.14 1.33 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1wwt n SER 87 Cb 0.53 -5.12 0.00 0.00 -1.01 0.00 0.00 64.21 58.61 1wwt n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64