#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 5.35 -0.30 1.61 1.04 -1.26 -4.84 113.70 115.30 1wwt s SER 2 Ca 0.00 -0.22 -0.12 0.00 0.48 0.00 0.00 55.95 56.09 1wwt s SER 2 Cb 0.00 -2.55 0.16 0.00 0.10 0.00 0.00 66.02 63.73 1wwt s SER 2 CO 0.00 -2.43 0.84 -0.94 0.98 0.00 0.00 173.24 171.69 1wwt s SER 3 N 7.59 -0.84 0.20 7.02 1.04 -1.26 -5.18 113.70 122.28 1wwt s SER 3 Ca 0.65 1.05 0.03 0.00 0.48 0.00 0.00 55.95 58.15 1wwt s SER 3 Cb -0.09 1.91 -0.05 0.00 0.10 0.00 0.00 66.02 67.89 1wwt s SER 3 CO 0.10 -0.16 0.00 -0.83 0.98 0.00 0.00 173.24 173.33 1wwt s GLY 4 N 2.67 1.40 0.01 7.32 0.00 -1.26 -5.08 107.32 112.40 1wwt s GLY 4 Ca -0.02 -1.69 -0.27 0.00 0.00 0.00 0.00 44.72 42.75 1wwt s GLY 4 CO -0.18 -1.60 1.15 1.76 0.00 0.00 0.00 173.10 174.23 1wwt h SER 5 N 2.57 -0.75 -5.04 1.64 0.02 -2.03 -3.47 113.55 106.49 1wwt h SER 5 Ca -0.38 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.52 1wwt h SER 5 Cb 1.22 0.19 -0.15 0.00 0.14 0.00 0.00 62.40 63.80 1wwt h SER 5 CO 0.63 -0.38 -0.00 -0.94 -1.14 0.00 0.00 176.83 175.00 1wwt s SER 6 N -4.53 -0.36 -0.09 3.07 1.04 -1.26 -5.16 113.70 106.41 1wwt s SER 6 Ca -0.14 -0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.28 1wwt s SER 6 Cb 0.02 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.62 1wwt s SER 6 CO 0.45 -0.79 -0.23 -0.83 0.98 0.00 0.00 173.24 172.81 1wwt s GLY 7 N -2.38 1.28 0.92 7.32 0.00 -1.26 -5.12 107.32 108.08 1wwt s GLY 7 Ca -0.02 -0.94 -0.11 0.00 0.00 0.00 0.00 44.72 43.66 1wwt s GLY 7 CO -0.07 -0.35 1.11 0.99 0.00 0.00 0.00 173.10 174.78 1wwt s ASP 8 N 0.28 3.08 1.25 1.64 1.01 -1.26 -4.98 116.67 117.69 1wwt s ASP 8 Ca -0.16 1.87 -0.18 0.00 0.71 0.00 0.00 52.55 54.80 1wwt s ASP 8 Cb -0.17 -2.44 0.28 0.00 1.01 0.00 0.00 42.92 41.59 1wwt s ASP 8 CO 0.08 -2.95 0.68 -1.54 0.21 0.00 0.00 175.17 171.66 1wwt n SER 9 N -4.11 -2.83 -3.48 0.27 3.41 -1.26 -5.03 113.62 100.58 1wwt n SER 9 Ca 0.09 -0.42 -0.11 0.00 -0.26 0.00 0.00 58.87 58.17 1wwt n SER 9 Cb 0.53 -1.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.40 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 -4.29 1.01 -0.38 4.33 -2.85 -1.25 -4.94 119.74 111.37 1wwt s LYS 10 Ca 0.62 -0.25 -0.29 0.00 -1.00 0.00 0.00 55.97 55.05 1wwt s LYS 10 Cb -0.17 0.47 0.01 0.00 -2.06 0.00 0.00 37.83 36.08 1wwt s LYS 10 CO 0.59 -0.42 1.39 -1.25 0.10 0.00 0.00 175.35 175.77 1wwt s PRO 11 N -2.93 3.65 0.42 1.78 0.04 -1.26 -0.45 135.00 136.25 1wwt s PRO 11 Ca 0.01 1.02 0.08 0.00 0.04 0.00 0.00 61.00 62.14 1wwt s PRO 11 Cb -0.01 -4.00 -0.03 0.00 0.04 0.00 0.00 34.50 30.51 1wwt s PRO 11 CO -0.07 -1.47 0.32 0.96 0.04 0.00 0.00 177.00 176.78 1wwt s ILE 12 N 5.21 2.53 -0.07 0.56 -4.36 0.52 -4.92 121.20 120.66 1wwt s ILE 12 Ca 0.60 -1.45 0.04 0.00 -0.26 0.00 0.00 60.65 59.58 1wwt s ILE 12 Cb -0.14 -2.98 0.00 0.00 1.25 0.00 0.00 42.46 40.59 1wwt s ILE 12 CO 0.31 0.00 -0.19 -0.75 0.24 0.00 0.00 174.94 174.55 1wwt s LYS 13 N -4.07 2.23 -0.20 0.37 2.20 -1.26 -0.65 119.74 118.36 1wwt s LYS 13 Ca 0.46 -0.67 0.01 0.00 -0.36 0.00 0.00 55.97 55.41 1wwt s LYS 13 Cb -0.01 -1.81 0.04 0.00 -1.51 0.00 0.00 37.83 34.54 1wwt s LYS 13 CO 0.26 0.18 -0.12 0.08 -0.36 0.00 0.00 175.35 175.39 1wwt s VAL 14 N 0.28 1.81 -0.16 4.02 1.01 -0.45 -2.60 120.40 124.32 1wwt s VAL 14 Ca -0.11 -1.10 -0.23 0.00 0.00 0.00 0.00 61.98 60.54 1wwt s VAL 14 Cb -0.15 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1wwt s VAL 14 CO 0.05 0.21 0.71 -0.89 0.00 0.00 0.00 175.10 175.17 1wwt s THR 15 N 1.33 4.98 0.91 3.92 2.01 -1.23 -0.58 115.64 126.98 1wwt s THR 15 Ca -0.01 1.38 -0.10 0.00 0.31 0.00 0.00 61.69 63.26 1wwt s THR 15 Cb -0.16 -4.02 0.14 0.00 0.01 0.00 0.00 72.50 68.47 1wwt s THR 15 CO -0.09 0.11 1.14 -0.76 -0.69 0.00 0.00 174.62 174.33 1wwt s LEU 16 N 1.77 2.78 0.00 4.42 1.43 0.18 -2.18 118.68 127.07 1wwt s LEU 16 Ca 0.33 2.12 0.19 0.00 -1.03 0.00 0.00 54.13 55.74 1wwt s LEU 16 Cb -0.16 -4.51 1.14 0.00 0.03 0.00 0.00 46.19 42.69 1wwt s LEU 16 CO 0.12 -3.04 1.58 -0.81 0.23 0.00 0.00 176.35 174.43 1wwt n PRO 17 N -4.19 0.75 -0.00 1.29 -0.04 -1.05 -1.84 135.00 129.91 1wwt n PRO 17 Ca 0.11 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.66 1wwt n PRO 17 Cb 0.52 -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 -0.25 -0.04 0.00 0.00 175.50 175.21 1wwt n ASP 18 N -0.90 0.83 0.00 3.54 8.00 -1.26 -4.98 116.55 121.79 1wwt n ASP 18 Ca 0.14 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.84 1wwt n ASP 18 Cb 0.07 1.10 0.00 0.00 -0.02 0.00 0.00 41.12 42.27 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 1.42 1.39 3.37 0.44 0.00 -0.77 -5.09 105.19 105.95 1wwt n GLY 19 Ca 0.03 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.41 -4.34 1.61 4.01 -1.26 -4.58 118.16 112.19 1wwt n LYS 20 Ca 0.00 -0.38 -0.23 0.00 -0.51 0.00 0.00 58.31 57.19 1wwt n LYS 20 Cb 0.00 -1.87 -0.11 0.00 -0.51 0.00 0.00 35.03 32.54 1wwt n LYS 20 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1wwt s GLN 21 N -3.75 1.31 0.05 1.97 -0.21 -1.26 0.49 119.66 118.26 1wwt s GLN 21 Ca 0.59 -1.41 -0.03 0.00 0.02 0.00 0.00 55.36 54.53 1wwt s GLN 21 Cb -0.17 -1.42 -0.03 0.00 1.00 0.00 0.00 33.01 32.39 1wwt s GLN 21 CO 0.66 0.29 0.04 0.08 -2.12 0.00 0.00 175.29 174.24 1wwt s VAL 22 N -1.94 0.18 -0.20 1.09 1.01 0.25 -4.85 120.40 115.95 1wwt s VAL 22 Ca 0.16 -1.50 -0.08 0.00 0.00 0.00 0.00 61.98 60.55 1wwt s VAL 22 Cb -0.06 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1wwt s VAL 22 CO 0.07 -0.83 0.08 1.51 0.00 0.00 0.00 175.10 175.93 1wwt s ASP 23 N -2.69 5.74 0.33 3.32 -4.77 -1.26 -1.34 116.67 116.00 1wwt s ASP 23 Ca 0.03 0.09 0.07 0.00 -3.30 0.00 0.00 52.55 49.44 1wwt s ASP 23 Cb 0.05 -2.00 -0.03 0.00 -1.09 0.00 0.00 42.92 39.85 1wwt s ASP 23 CO -0.09 0.15 0.26 0.00 0.70 0.00 0.00 175.17 176.19 1wwt s ALA 24 N 0.54 1.89 -0.01 2.11 0.00 0.18 -4.92 121.76 121.55 1wwt s ALA 24 Ca 0.04 -2.01 0.01 0.00 0.00 0.00 0.00 51.96 50.00 1wwt s ALA 24 Cb -0.12 1.44 0.00 0.00 0.00 0.00 0.00 23.12 24.44 1wwt s ALA 24 CO 0.01 -0.64 -0.03 -1.21 0.00 0.00 0.00 175.76 173.88 1wwt s GLU 25 N -3.49 0.31 0.13 0.00 2.02 -1.26 0.19 118.70 116.60 1wwt s GLU 25 Ca 0.40 -0.11 -0.31 0.00 0.02 0.00 0.00 54.97 54.97 1wwt s GLU 25 Cb 0.03 -0.32 -0.09 0.00 0.10 0.00 0.00 34.13 33.84 1wwt s GLU 25 CO 0.26 0.05 1.60 -1.54 0.02 0.00 0.00 175.26 175.65 1wwt s SER 26 N 0.05 6.60 -1.33 -0.19 1.04 0.40 -1.56 113.70 118.71 1wwt s SER 26 Ca -0.00 2.56 -0.09 0.00 0.48 0.00 0.00 55.95 58.90 1wwt s SER 26 Cb -0.03 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.52 1wwt s SER 26 CO -0.00 -0.84 1.13 0.79 0.98 0.00 0.00 173.24 175.30 1wwt n TRP 27 N 4.61 -2.78 0.04 5.02 7.02 -0.37 -3.82 117.44 127.17 1wwt n TRP 27 Ca 0.15 0.97 0.00 0.00 -1.02 0.00 0.00 57.50 57.60 1wwt n TRP 27 Cb 0.39 -4.91 0.00 0.00 -2.42 0.00 0.00 31.31 24.37 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 -4.85 0.00 -3.97 -0.99 5.02 -0.69 -4.90 118.16 107.79 1wwt n LYS 28 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.93 1wwt n LYS 28 Cb 0.56 0.00 -0.07 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 -1.25 5.30 0.51 -0.18 2.01 -0.60 -4.92 115.64 116.50 1wwt s THR 29 Ca 0.00 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.18 1wwt s THR 29 Cb 0.00 -3.30 0.01 0.00 0.01 0.00 0.00 72.50 69.22 1wwt s THR 29 CO 0.00 0.61 0.32 0.42 -0.69 0.00 0.00 174.62 175.28 1wwt s THR 30 N -1.01 1.80 -0.10 -0.82 -4.23 -1.26 -2.64 115.64 107.37 1wwt s THR 30 Ca 0.15 -1.57 0.25 0.00 -1.18 0.00 0.00 61.69 59.34 1wwt s THR 30 Cb -0.12 -2.37 0.29 0.00 1.34 0.00 0.00 72.50 71.65 1wwt s THR 30 CO 0.04 0.00 1.75 1.55 -0.54 0.00 0.00 174.62 177.42 1wwt h PRO 31 N 0.96 0.00 -0.07 3.99 0.13 -1.74 -2.26 132.00 133.00 1wwt h PRO 31 Ca -0.39 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.62 1wwt h PRO 31 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1wwt h PRO 31 CO 0.61 0.12 -0.48 -0.92 -0.23 0.00 0.00 178.00 177.11 1wwt h TYR 32 N 0.00 0.22 0.08 1.56 3.20 -1.89 -2.22 116.97 117.93 1wwt h TYR 32 Ca -0.00 -0.07 -0.31 0.00 3.14 0.00 0.00 58.73 61.49 1wwt h TYR 32 Cb 0.84 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 1wwt h TYR 32 CO 0.00 0.63 -1.66 1.96 -1.64 0.00 0.00 178.16 177.45 1wwt h GLN 33 N 0.15 0.17 -0.66 1.82 4.20 -1.83 -2.85 115.11 116.12 1wwt h GLN 33 Ca 0.01 -0.29 0.02 0.00 0.06 0.00 0.00 58.65 58.44 1wwt h GLN 33 Cb 0.90 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.75 1wwt h GLN 33 CO 0.07 0.96 0.42 0.82 -0.67 0.00 0.00 178.83 180.43 1wwt h ILE 34 N 0.05 1.12 -0.26 2.54 2.04 -1.34 0.12 117.51 121.77 1wwt h ILE 34 Ca -0.28 -0.29 -0.19 0.00 1.00 0.00 0.00 64.86 65.10 1wwt h ILE 34 Cb 2.01 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1wwt h ILE 34 CO 0.12 0.15 -0.58 0.00 0.00 0.00 0.00 178.15 177.84 1wwt h ALA 35 N 1.27 0.46 -0.74 1.87 0.00 -1.52 -3.01 119.26 117.58 1wwt h ALA 35 Ca 0.25 -0.53 0.11 0.00 0.00 0.00 0.00 54.91 54.75 1wwt h ALA 35 Cb -0.03 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 1wwt h ALA 35 CO -0.08 0.68 0.35 0.00 0.00 0.00 0.00 179.25 180.20 1wwt h GLY 37 N 0.56 1.93 0.00 0.00 0.00 -0.86 -2.64 103.07 102.06 1wwt h GLY 37 Ca 0.38 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1wwt h GLY 37 CO -0.32 -0.28 0.00 1.39 0.00 0.00 0.00 176.54 177.33 1wwt n ILE 38 N -4.91 0.00 -3.64 2.60 2.08 0.37 -4.88 119.36 110.98 1wwt n ILE 38 Ca 0.28 1.16 -0.03 0.00 0.56 0.00 0.00 62.75 64.72 1wwt n ILE 38 Cb 0.78 -1.95 -0.07 0.00 -0.75 0.00 0.00 39.64 37.66 1wwt n ILE 38 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1wwt s SER 39 N -2.43 -0.60 -0.42 4.38 0.01 -1.00 -5.11 113.70 108.53 1wwt s SER 39 Ca 0.00 0.96 -0.44 0.00 1.31 0.00 0.00 55.95 57.79 1wwt s SER 39 Cb 0.00 1.26 -0.18 0.00 0.21 0.00 0.00 66.02 67.31 1wwt s SER 39 CO 0.00 -0.15 1.75 0.00 0.41 0.00 0.00 173.24 175.25 1wwt n GLN 40 N 3.86 0.46 0.00 12.44 6.02 -1.26 -1.82 117.38 137.09 1wwt n GLN 40 Ca -0.19 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1wwt n GLN 40 Cb 0.58 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 30.07 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 4.63 3.83 0.27 1.08 0.00 -1.26 -4.95 105.19 108.78 1wwt n GLY 41 Ca 0.33 -0.82 -0.02 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.71 0.09 0.99 6.46 -1.68 0.26 115.31 120.72 1wwt h LEU 42 Ca 0.00 0.20 0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1wwt h LEU 42 Cb 0.00 0.43 -0.03 0.00 -0.73 0.00 0.00 40.66 40.33 1wwt h LEU 42 CO 0.00 -0.23 -0.34 0.00 -0.62 0.00 0.00 178.44 177.25 1wwt h ALA 43 N 1.46 -0.85 -0.82 1.25 0.00 -1.82 1.32 119.26 119.81 1wwt h ALA 43 Ca 0.28 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.31 1wwt h ALA 43 Cb 0.48 0.73 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 1wwt h ALA 43 CO -0.65 -0.93 -0.05 0.22 0.00 0.00 0.00 179.25 177.85 1wwt h ASP 44 N -0.49 -0.49 -0.01 0.00 3.58 -1.66 0.41 116.42 117.76 1wwt h ASP 44 Ca -0.01 0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 1wwt h ASP 44 Cb 0.49 0.42 -0.00 0.00 1.72 0.00 0.00 39.33 41.95 1wwt h ASP 44 CO -0.18 -0.24 0.01 0.78 -2.88 0.00 0.00 179.24 176.73 1wwt h ASN 45 N 0.06 0.01 -2.09 2.28 4.21 0.61 -3.43 115.58 117.22 1wwt h ASN 45 Ca 0.44 -0.03 -0.62 0.00 1.21 0.00 0.00 56.30 57.30 1wwt h ASN 45 Cb 0.78 -0.00 0.11 0.00 -1.12 0.00 0.00 38.32 38.09 1wwt h ASN 45 CO -0.76 0.04 -0.10 0.41 -1.29 0.00 0.00 177.43 175.73 1wwt n THR 46 N -5.07 1.98 -0.11 2.81 -1.04 0.44 -4.91 114.28 108.40 1wwt n THR 46 Ca -0.07 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.05 61.21 1wwt n THR 46 Cb 0.04 -0.70 -0.08 0.00 -1.82 0.00 0.00 70.33 67.78 1wwt n THR 46 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1wwt n VAL 47 N 0.03 1.17 -3.70 12.58 3.14 -0.14 -4.93 118.33 126.48 1wwt n VAL 47 Ca 0.12 -0.30 -0.14 0.00 -2.96 0.00 0.00 64.34 61.06 1wwt n VAL 47 Cb 0.31 -1.79 -0.09 0.00 -1.06 0.00 0.00 33.84 31.21 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 -2.39 0.02 -0.11 1.55 -1.09 -1.24 -4.92 121.20 113.02 1wwt s ILE 48 Ca -0.30 -0.18 -0.02 0.00 -2.23 0.00 0.00 60.65 57.92 1wwt s ILE 48 Cb 0.11 -0.69 -0.03 0.00 -1.58 0.00 0.00 42.46 40.27 1wwt s ILE 48 CO 0.37 -0.10 -0.01 0.00 -1.23 0.00 0.00 174.94 173.98 1wwt s ALA 49 N -0.57 3.21 -0.23 9.38 0.00 -1.08 0.20 121.76 132.66 1wwt s ALA 49 Ca -0.07 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 1wwt s ALA 49 Cb -0.03 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.53 1wwt s ALA 49 CO 0.04 0.47 0.22 0.15 0.00 0.00 0.00 175.76 176.64 1wwt s LYS 50 N -0.49 4.09 -0.38 0.00 1.02 0.94 0.20 119.74 125.11 1wwt s LYS 50 Ca 0.08 -0.16 -0.03 0.00 0.02 0.00 0.00 55.97 55.88 1wwt s LYS 50 Cb -0.12 -3.55 0.09 0.00 -0.52 0.00 0.00 37.83 33.73 1wwt s LYS 50 CO 0.02 0.02 0.16 0.08 -0.92 0.00 0.00 175.35 174.71 1wwt s VAL 51 N 1.18 3.35 -0.18 3.17 1.01 0.48 -1.77 120.40 127.64 1wwt s VAL 51 Ca 0.10 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.27 1wwt s VAL 51 Cb -0.14 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1wwt s VAL 51 CO 0.06 -0.53 0.00 -3.20 0.00 0.00 0.00 175.10 171.42 1wwt n ASN 52 N 4.64 -2.20 0.00 3.32 2.85 -0.37 -2.83 115.26 120.68 1wwt n ASN 52 Ca -0.06 0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1wwt n ASN 52 Cb 0.42 -0.89 0.00 0.00 1.24 0.00 0.00 39.78 40.55 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 1.67 -2.65 -4.07 1.20 5.15 -1.26 -4.95 115.26 110.34 1wwt n ASN 53 Ca -0.02 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.75 1wwt n ASN 53 Cb 0.32 -0.49 -0.15 0.00 -0.53 0.00 0.00 39.78 38.93 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 -2.00 0.96 0.11 3.44 -7.23 -1.13 -5.07 120.40 109.48 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 -0.81 -0.15 0.00 0.56 0.00 0.00 36.38 35.98 1wwt s VAL 54 CO 0.00 0.28 1.52 0.52 -0.31 0.00 0.00 175.10 177.10 1wwt n VAL 55 N 2.89 0.03 -4.02 1.32 0.31 -1.26 0.18 118.33 117.78 1wwt n VAL 55 Ca -0.15 -0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 63.95 1wwt n VAL 55 Cb 0.55 -1.31 -0.17 0.00 -0.91 0.00 0.00 33.84 32.01 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 0.97 0.88 0.42 3.52 -0.11 0.54 -4.70 118.94 120.47 1wwt s TRP 56 Ca 0.82 -0.30 -0.25 0.00 1.22 0.00 0.00 56.10 57.58 1wwt s TRP 56 Cb -0.78 -0.83 -0.08 0.00 -1.50 0.00 0.00 33.47 30.28 1wwt s TRP 56 CO 0.42 -0.29 1.32 -0.51 -4.62 0.00 0.00 176.95 173.27 1wwt s ASP 57 N 1.37 6.16 0.24 5.86 1.11 -1.26 -2.62 116.67 127.52 1wwt s ASP 57 Ca -0.04 2.69 -0.05 0.00 0.18 0.00 0.00 52.55 55.33 1wwt s ASP 57 Cb -0.13 -2.64 0.24 0.00 1.07 0.00 0.00 42.92 41.46 1wwt s ASP 57 CO -0.03 -0.95 1.77 -0.07 1.18 0.00 0.00 175.17 177.07 1wwt h LEU 58 N 2.51 0.95 -4.20 1.23 3.38 -1.91 -2.78 115.31 114.49 1wwt h LEU 58 Ca -0.50 -0.18 -0.31 0.00 0.09 0.00 0.00 57.88 56.98 1wwt h LEU 58 Cb 1.25 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.64 1wwt h LEU 58 CO 0.62 0.91 -0.08 0.47 0.09 0.00 0.00 178.44 180.45 1wwt n ASP 59 N -4.25 5.73 -3.65 -0.43 9.92 -1.26 -3.57 116.55 119.02 1wwt n ASP 59 Ca 0.05 -2.77 -0.06 0.00 -0.53 0.00 0.00 54.79 51.49 1wwt n ASP 59 Cb 0.24 -1.34 -0.07 0.00 -0.64 0.00 0.00 41.12 39.31 1wwt n ASP 59 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1wwt s ARG 60 N -0.08 0.56 0.40 -1.24 3.52 -1.05 -5.09 118.95 115.98 1wwt s ARG 60 Ca 0.63 1.22 -0.24 0.00 -0.13 0.00 0.00 55.73 57.21 1wwt s ARG 60 Cb 0.34 0.41 -0.09 0.00 -1.56 0.00 0.00 34.95 34.06 1wwt s ARG 60 CO -0.09 -0.19 1.05 -1.25 -0.81 0.00 0.00 175.30 174.02 1wwt s PRO 61 N 2.22 4.14 1.32 5.12 0.04 -1.26 -4.15 135.00 142.42 1wwt s PRO 61 Ca -0.07 1.52 -0.18 0.00 0.04 0.00 0.00 61.00 62.31 1wwt s PRO 61 Cb -0.09 -2.53 0.33 0.00 0.04 0.00 0.00 34.50 32.26 1wwt s PRO 61 CO -0.17 -0.16 0.97 -0.51 0.04 0.00 0.00 177.00 177.16 1wwt s LEU 62 N -2.67 -0.32 -0.12 -3.56 2.01 -1.08 -4.57 118.68 108.37 1wwt s LEU 62 Ca 0.58 1.13 0.05 0.00 0.01 0.00 0.00 54.13 55.90 1wwt s LEU 62 Cb -0.22 -2.75 -0.11 0.00 0.01 0.00 0.00 46.19 43.12 1wwt s LEU 62 CO 0.28 -4.90 -0.04 -0.62 1.01 0.00 0.00 176.35 172.08 1wwt n GLU 63 N -5.35 1.31 -3.92 1.70 1.02 -1.26 -1.24 120.64 112.91 1wwt n GLU 63 Ca 0.08 0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.24 1wwt n GLU 63 Cb 0.58 -1.27 0.02 0.00 -0.02 0.00 0.00 31.44 30.74 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 -2.26 1.07 -0.34 3.49 -1.05 -1.26 -4.59 118.70 113.75 1wwt s GLU 64 Ca -0.12 -0.69 -0.40 0.00 -0.15 0.00 0.00 54.97 53.61 1wwt s GLU 64 Cb 0.04 0.30 -0.15 0.00 -0.44 0.00 0.00 34.13 33.87 1wwt s GLU 64 CO 0.37 -0.50 1.91 -0.40 0.95 0.00 0.00 175.26 177.59 1wwt n ASP 65 N -1.21 2.05 -3.53 0.83 5.68 -1.26 -4.80 116.55 114.30 1wwt n ASP 65 Ca -0.01 0.85 -0.11 0.00 -0.50 0.00 0.00 54.79 55.02 1wwt n ASP 65 Cb 0.59 -1.13 -0.03 0.00 -1.14 0.00 0.00 41.12 39.41 1wwt n ASP 65 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wwt s THR 67 N -3.37 5.22 -0.12 0.00 -4.23 -1.26 -3.49 115.64 108.40 1wwt s THR 67 Ca 0.24 0.64 -0.03 0.00 -1.18 0.00 0.00 61.69 61.37 1wwt s THR 67 Cb -0.01 -3.64 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 1wwt s THR 67 CO 0.14 0.49 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.47 1wwt s LEU 68 N -0.36 3.41 -0.19 4.79 2.96 -0.93 -1.23 118.68 127.13 1wwt s LEU 68 Ca 0.20 -0.00 -0.04 0.00 -0.22 0.00 0.00 54.13 54.07 1wwt s LEU 68 Cb -0.14 -1.80 0.09 0.00 0.50 0.00 0.00 46.19 44.84 1wwt s LEU 68 CO 0.08 0.27 0.23 -0.70 -1.32 0.00 0.00 176.35 174.91 1wwt s GLU 69 N -0.22 0.19 0.41 1.98 2.12 -0.73 -2.54 118.70 119.91 1wwt s GLU 69 Ca 0.05 0.30 -0.25 0.00 0.36 0.00 0.00 54.97 55.43 1wwt s GLU 69 Cb -0.13 -0.98 -0.08 0.00 0.26 0.00 0.00 34.13 33.20 1wwt s GLU 69 CO 0.02 -0.59 1.16 -0.51 -0.54 0.00 0.00 175.26 174.80 1wwt s LEU 70 N 2.35 4.16 0.17 2.70 2.01 -1.26 -0.04 118.68 128.77 1wwt s LEU 70 Ca 0.06 2.32 0.07 0.00 0.01 0.00 0.00 54.13 56.59 1wwt s LEU 70 Cb -0.15 -4.07 -0.04 0.00 0.01 0.00 0.00 46.19 41.94 1wwt s LEU 70 CO -0.11 -0.70 0.03 -0.76 1.01 0.00 0.00 176.35 175.81 1wwt s LEU 71 N -2.59 3.43 -0.01 1.79 1.43 0.52 -4.91 118.68 118.34 1wwt s LEU 71 Ca 0.58 -0.34 0.18 0.00 -1.03 0.00 0.00 54.13 53.52 1wwt s LEU 71 Cb -0.30 -2.07 -0.22 0.00 0.03 0.00 0.00 46.19 43.64 1wwt s LEU 71 CO 0.37 0.08 0.66 1.17 0.23 0.00 0.00 176.35 178.87 1wwt n LYS 72 N -0.19 0.94 -3.57 1.70 4.81 -1.26 -0.97 118.16 119.63 1wwt n LYS 72 Ca -0.09 -0.05 -0.15 0.00 -0.87 0.00 0.00 58.31 57.16 1wwt n LYS 72 Cb 0.55 -1.37 -0.06 0.00 0.02 0.00 0.00 35.03 34.17 1wwt n LYS 72 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1wwt s PHE 73 N -2.85 -0.61 0.57 5.64 0.08 -1.26 -4.76 117.98 114.79 1wwt s PHE 73 Ca 0.03 1.21 0.03 0.00 0.12 0.00 0.00 56.93 58.32 1wwt s PHE 73 Cb 0.13 0.38 0.11 0.00 -0.57 0.00 0.00 43.02 43.07 1wwt s PHE 73 CO 0.74 -0.46 0.79 -0.85 -0.10 0.00 0.00 175.22 175.34 1wwt n GLU 74 N 1.42 0.23 -4.05 0.44 0.28 -1.26 -4.88 120.64 112.82 1wwt n GLU 74 Ca -0.15 -2.42 -0.24 0.00 -0.16 0.00 0.00 57.16 54.19 1wwt n GLU 74 Cb 0.57 -0.44 -0.17 0.00 1.43 0.00 0.00 31.44 32.83 1wwt n GLU 74 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1wwt s ASP 75 N -4.31 1.64 -0.47 -1.84 1.11 -1.26 -5.07 116.67 106.47 1wwt s ASP 75 Ca 0.55 -0.20 -0.42 0.00 0.18 0.00 0.00 52.55 52.66 1wwt s ASP 75 Cb -0.03 -0.63 -0.18 0.00 1.07 0.00 0.00 42.92 43.14 1wwt s ASP 75 CO 0.36 -0.10 1.89 -1.84 1.18 0.00 0.00 175.17 176.66 1wwt n GLU 76 N 4.58 0.00 0.04 8.23 -0.00 -1.26 -4.61 120.64 127.62 1wwt n GLU 76 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.00 1wwt n GLU 76 Cb 0.50 -1.40 0.00 0.00 -0.00 0.00 0.00 31.44 30.54 1wwt n GLU 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1wwt n GLU 77 N 6.27 0.00 0.00 3.44 2.13 -1.26 -5.03 120.64 126.19 1wwt n GLU 77 Ca 0.46 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.28 1wwt n GLU 77 Cb -0.04 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.67 1wwt n GLU 77 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wwt n ALA 78 N -2.74 0.00 -0.33 4.31 0.00 -1.26 -4.77 120.51 115.72 1wwt n ALA 78 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1wwt n ALA 78 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.12 -3.19 0.00 1.13 -1.26 -3.89 117.38 110.05 1wwt n GLN 79 Ca 0.00 1.38 -0.02 0.00 -1.94 0.00 0.00 57.00 56.42 1wwt n GLN 79 Cb 0.00 -2.06 -0.02 0.00 0.11 0.00 0.00 30.24 28.28 1wwt n GLN 79 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wwt s ALA 80 N -6.02 -2.07 0.00 -1.58 0.00 -1.26 -4.98 121.76 105.84 1wwt s ALA 80 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1wwt s ALA 80 Cb 0.22 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1wwt s ALA 80 CO 0.67 -2.21 0.00 1.55 0.00 0.00 0.00 175.76 175.77 1wwt n VAL 81 N 4.25 0.00 -3.39 0.00 3.14 -1.25 -4.97 118.33 116.12 1wwt n VAL 81 Ca 0.12 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.12 1wwt n VAL 81 Cb 0.55 -0.24 -0.07 0.00 -1.06 0.00 0.00 33.84 33.02 1wwt n VAL 81 CO 0.00 0.00 0.00 -0.72 -6.46 0.00 0.00 176.83 169.65 1wwt s TYR 82 N -1.99 3.44 0.25 1.45 1.13 -1.26 -4.83 117.35 115.54 1wwt s TYR 82 Ca 0.00 0.71 -0.30 0.00 -1.41 0.00 0.00 57.07 56.07 1wwt s TYR 82 Cb 0.00 -2.50 -0.10 0.00 -1.10 0.00 0.00 41.96 38.26 1wwt s TYR 82 CO 0.00 0.10 1.43 -1.12 -2.51 0.00 0.00 175.55 173.44 1wwt s SER 83 N 0.79 6.68 0.00 -0.18 0.01 -1.26 -4.77 113.70 114.96 1wwt s SER 83 Ca 0.21 2.65 0.00 0.00 1.31 0.00 0.00 55.95 60.12 1wwt s SER 83 Cb -0.14 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.46 1wwt s SER 83 CO 0.08 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.66 1wwt n GLY 84 N 2.18 -1.78 3.64 3.44 0.00 -1.26 -5.10 105.19 106.31 1wwt n GLY 84 Ca 0.07 0.64 -0.43 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 4.05 0.07 1.61 0.04 -1.26 -4.43 135.00 135.08 1wwt s PRO 85 Ca 0.00 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1wwt s PRO 85 Cb 0.00 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.70 1wwt s PRO 85 CO 0.00 -0.95 0.00 0.45 0.04 0.00 0.00 177.00 176.54 1wwt n SER 86 N 7.23 -0.64 -3.73 6.66 2.88 -1.26 -5.13 113.62 119.63 1wwt n SER 86 Ca 0.15 0.29 -0.12 0.00 -1.33 0.00 0.00 58.87 57.86 1wwt n SER 86 Cb 0.46 0.83 -0.12 0.00 -0.75 0.00 0.00 64.21 64.63 1wwt n SER 86 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wwt s SER 87 N -2.00 -0.36 0.00 -3.46 1.04 -1.26 -5.31 113.70 102.34 1wwt s SER 87 Ca 0.00 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1wwt s SER 87 Cb 0.00 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1wwt s SER 87 CO 0.00 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.68