#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 6.77 0.35 1.61 1.04 -1.26 -5.09 113.70 117.13 1wwt s SER 2 Ca 0.00 1.30 0.09 0.00 0.48 0.00 0.00 55.95 57.82 1wwt s SER 2 Cb 0.00 -2.38 -0.06 0.00 0.10 0.00 0.00 66.02 63.68 1wwt s SER 2 CO 0.00 -0.22 -0.02 -0.44 0.98 0.00 0.00 173.24 173.53 1wwt s SER 3 N -2.30 4.00 0.31 7.02 0.01 -1.26 -5.16 113.70 116.32 1wwt s SER 3 Ca 0.55 -1.10 0.03 0.00 1.31 0.00 0.00 55.95 56.74 1wwt s SER 3 Cb -0.10 -0.45 -0.05 0.00 0.21 0.00 0.00 66.02 65.63 1wwt s SER 3 CO 0.18 -0.25 0.11 -0.83 0.41 0.00 0.00 173.24 172.86 1wwt s GLY 4 N -3.68 2.02 -0.06 3.44 0.00 -1.26 -5.10 107.32 102.68 1wwt s GLY 4 Ca 0.34 -1.78 -0.03 0.00 0.00 0.00 0.00 44.72 43.25 1wwt s GLY 4 CO 0.18 -1.66 -0.07 0.23 0.00 0.00 0.00 173.10 171.78 1wwt h SER 5 N 2.20 0.00 -3.68 1.64 0.87 -2.08 -3.47 113.55 109.03 1wwt h SER 5 Ca -0.37 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 59.69 1wwt h SER 5 Cb 1.25 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 1wwt h SER 5 CO 0.59 0.32 0.30 -0.94 -0.53 0.00 0.00 176.83 176.57 1wwt s SER 6 N -4.45 7.57 0.00 6.23 1.04 -1.26 -4.75 113.70 118.08 1wwt s SER 6 Ca -0.06 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.23 1wwt s SER 6 Cb 0.01 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1wwt s SER 6 CO 0.08 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.09 1wwt n GLY 7 N 1.52 -2.22 2.24 7.32 0.00 -1.26 -5.12 105.19 107.66 1wwt n GLY 7 Ca -0.03 0.73 -0.02 0.00 0.00 0.00 0.00 46.02 46.69 1wwt n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wwt n ASP 8 N 0.00 -4.51 -1.01 1.61 2.03 -1.26 -4.89 116.55 108.53 1wwt n ASP 8 Ca 0.00 1.32 0.13 0.00 0.52 0.00 0.00 54.79 56.75 1wwt n ASP 8 Cb 0.00 -4.45 -0.04 0.00 -0.72 0.00 0.00 41.12 35.91 1wwt n ASP 8 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1wwt n SER 9 N 1.44 -5.65 -3.54 1.67 2.88 -1.26 -5.02 113.62 104.14 1wwt n SER 9 Ca -0.17 0.48 -0.08 0.00 -1.33 0.00 0.00 58.87 57.77 1wwt n SER 9 Cb 0.26 -3.24 -0.03 0.00 -0.75 0.00 0.00 64.21 60.46 1wwt n SER 9 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1wwt s LYS 10 N -2.28 0.67 -0.34 -1.46 -2.85 -1.25 -4.94 119.74 107.28 1wwt s LYS 10 Ca 0.00 -0.16 -0.29 0.00 -1.00 0.00 0.00 55.97 54.52 1wwt s LYS 10 Cb 0.00 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 36.08 1wwt s LYS 10 CO 0.00 -0.28 1.37 -1.25 0.10 0.00 0.00 175.35 175.30 1wwt s PRO 11 N -2.52 3.76 0.37 1.78 0.04 -1.26 -0.09 135.00 137.08 1wwt s PRO 11 Ca 0.04 1.15 0.08 0.00 0.04 0.00 0.00 61.00 62.31 1wwt s PRO 11 Cb -0.01 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.54 1wwt s PRO 11 CO -0.06 -1.33 0.20 0.96 0.04 0.00 0.00 177.00 176.81 1wwt s ILE 12 N 4.90 2.79 -0.06 0.56 -4.36 0.52 -4.91 121.20 120.62 1wwt s ILE 12 Ca 0.60 -1.62 0.04 0.00 -0.26 0.00 0.00 60.65 59.40 1wwt s ILE 12 Cb -0.16 -3.00 -0.02 0.00 1.25 0.00 0.00 42.46 40.53 1wwt s ILE 12 CO 0.28 -0.10 -0.17 -0.75 0.24 0.00 0.00 174.94 174.43 1wwt s LYS 13 N -3.91 2.62 -0.10 0.37 2.47 -1.26 -0.19 119.74 119.74 1wwt s LYS 13 Ca 0.40 -0.76 -0.01 0.00 -1.56 0.00 0.00 55.97 54.05 1wwt s LYS 13 Cb -0.01 -2.35 0.03 0.00 -1.46 0.00 0.00 37.83 34.04 1wwt s LYS 13 CO 0.24 0.50 -0.05 0.08 0.16 0.00 0.00 175.35 176.28 1wwt s VAL 14 N -0.43 0.80 0.13 4.02 1.01 -0.48 -2.20 120.40 123.25 1wwt s VAL 14 Ca 0.05 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 1wwt s VAL 14 Cb -0.12 -0.88 -0.07 0.00 0.00 0.00 0.00 36.38 35.32 1wwt s VAL 14 CO 0.02 0.32 0.51 -0.89 0.00 0.00 0.00 175.10 175.06 1wwt s THR 15 N 1.80 4.92 0.65 3.92 2.01 -1.21 -0.36 115.64 127.37 1wwt s THR 15 Ca 0.05 0.73 -0.11 0.00 0.31 0.00 0.00 61.69 62.67 1wwt s THR 15 Cb -0.13 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1wwt s THR 15 CO -0.07 0.26 1.05 -0.76 -0.69 0.00 0.00 174.62 174.40 1wwt s LEU 16 N -1.94 3.09 0.00 4.42 1.43 0.45 -1.34 118.68 124.79 1wwt s LEU 16 Ca 0.36 1.23 0.21 0.00 -1.03 0.00 0.00 54.13 54.90 1wwt s LEU 16 Cb -0.15 -4.14 1.23 0.00 0.03 0.00 0.00 46.19 43.15 1wwt s LEU 16 CO 0.19 -1.09 1.65 -0.81 0.23 0.00 0.00 176.35 176.51 1wwt n PRO 17 N -2.85 0.75 -0.00 1.29 -0.04 -1.11 -1.88 135.00 131.16 1wwt n PRO 17 Ca 0.06 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.59 1wwt n PRO 17 Cb 0.56 -1.43 -0.09 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.93 0.98 0.00 3.54 2.03 -1.26 -4.99 116.55 115.93 1wwt n ASP 18 Ca 0.15 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.90 1wwt n ASP 18 Cb 0.07 1.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.69 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 1.44 1.03 3.42 0.27 0.00 -0.79 -5.09 105.19 105.47 1wwt n GLY 19 Ca 0.01 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1wwt n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1wwt n LYS 20 N 0.00 -0.20 -4.34 1.61 4.81 -1.26 -4.49 118.16 114.29 1wwt n LYS 20 Ca 0.00 -0.02 -0.25 0.00 -0.87 0.00 0.00 58.31 57.17 1wwt n LYS 20 Cb 0.00 -1.85 -0.12 0.00 0.02 0.00 0.00 35.03 33.07 1wwt n LYS 20 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1wwt s GLN 21 N -3.52 1.27 0.07 1.64 -0.21 -1.26 0.17 119.66 117.82 1wwt s GLN 21 Ca 0.58 -1.31 -0.03 0.00 0.02 0.00 0.00 55.36 54.63 1wwt s GLN 21 Cb -0.23 -1.56 -0.03 0.00 1.00 0.00 0.00 33.01 32.19 1wwt s GLN 21 CO 0.66 0.35 0.03 0.08 -2.12 0.00 0.00 175.29 174.29 1wwt s VAL 22 N -1.38 0.19 -0.17 1.09 1.01 0.51 -4.90 120.40 116.74 1wwt s VAL 22 Ca 0.12 -1.68 -0.08 0.00 0.00 0.00 0.00 61.98 60.34 1wwt s VAL 22 Cb -0.09 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1wwt s VAL 22 CO 0.06 -0.87 0.11 -1.81 0.00 0.00 0.00 175.10 172.59 1wwt s ASP 23 N -2.92 6.05 0.32 3.32 1.01 -1.26 -1.39 116.67 121.81 1wwt s ASP 23 Ca 0.08 0.24 0.06 0.00 0.71 0.00 0.00 52.55 53.63 1wwt s ASP 23 Cb 0.07 -2.03 -0.03 0.00 1.01 0.00 0.00 42.92 41.94 1wwt s ASP 23 CO -0.09 0.23 0.24 0.00 0.21 0.00 0.00 175.17 175.76 1wwt s ALA 24 N 0.03 1.92 -0.02 5.23 0.00 0.74 -4.91 121.76 124.76 1wwt s ALA 24 Ca 0.08 -1.91 0.01 0.00 0.00 0.00 0.00 51.96 50.14 1wwt s ALA 24 Cb -0.12 1.36 0.01 0.00 0.00 0.00 0.00 23.12 24.38 1wwt s ALA 24 CO -0.00 -0.61 -0.02 -1.21 0.00 0.00 0.00 175.76 173.92 1wwt s GLU 25 N -3.58 0.35 0.30 0.00 8.01 -1.26 0.19 118.70 122.71 1wwt s GLU 25 Ca 0.38 -0.06 -0.30 0.00 0.01 0.00 0.00 54.97 55.01 1wwt s GLU 25 Cb 0.03 -0.40 -0.12 0.00 -4.31 0.00 0.00 34.13 29.33 1wwt s GLU 25 CO 0.24 -0.01 1.59 -1.13 0.01 0.00 0.00 175.26 175.96 1wwt n SER 26 N 3.48 3.84 -3.62 -0.19 3.41 0.87 -0.93 113.62 120.48 1wwt n SER 26 Ca -0.19 1.15 -0.27 0.00 -0.26 0.00 0.00 58.87 59.30 1wwt n SER 26 Cb 0.55 -1.59 0.01 0.00 -0.26 0.00 0.00 64.21 62.92 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 2.08 -2.01 0.08 7.33 7.02 -1.06 -3.93 117.44 126.94 1wwt n TRP 27 Ca 0.08 0.68 0.00 0.00 -1.02 0.00 0.00 57.50 57.24 1wwt n TRP 27 Cb 0.37 -3.53 0.00 0.00 -2.42 0.00 0.00 31.31 25.73 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 -4.20 0.00 -3.90 -0.99 4.76 -0.30 -4.93 118.16 108.60 1wwt n LYS 28 Ca 0.01 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.19 1wwt n LYS 28 Cb 0.54 -0.01 -0.03 0.00 -1.84 0.00 0.00 35.03 33.69 1wwt n LYS 28 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1wwt s THR 29 N -1.52 5.30 0.40 -0.18 2.01 -0.11 -4.95 115.64 116.59 1wwt s THR 29 Ca 0.00 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1wwt s THR 29 Cb 0.00 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1wwt s THR 29 CO 0.00 -0.14 0.05 0.42 -0.69 0.00 0.00 174.62 174.26 1wwt s THR 30 N -1.80 1.23 -0.17 -0.82 -4.23 -1.26 -2.18 115.64 106.42 1wwt s THR 30 Ca 0.35 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.15 1wwt s THR 30 Cb -0.11 -2.62 0.37 0.00 1.34 0.00 0.00 72.50 71.47 1wwt s THR 30 CO 0.29 0.00 1.80 1.55 -0.54 0.00 0.00 174.62 177.72 1wwt h PRO 31 N 1.82 0.00 -0.07 3.99 0.13 -1.77 -2.73 132.00 133.38 1wwt h PRO 31 Ca -0.41 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.52 1wwt h PRO 31 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wwt h PRO 31 CO 0.70 0.00 -0.80 -0.92 -0.23 0.00 0.00 178.00 176.75 1wwt h TYR 32 N 0.00 0.66 0.12 1.56 3.20 -1.88 -3.09 116.97 117.54 1wwt h TYR 32 Ca 0.00 -0.31 -0.01 0.00 3.14 0.00 0.00 58.73 61.55 1wwt h TYR 32 Cb 0.75 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1wwt h TYR 32 CO 0.00 1.10 -0.06 1.96 -1.64 0.00 0.00 178.16 179.52 1wwt h GLN 33 N 0.31 -0.16 -0.59 1.82 4.20 -1.83 -3.06 115.11 115.80 1wwt h GLN 33 Ca -0.05 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.73 1wwt h GLN 33 Cb 1.40 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 29.14 1wwt h GLN 33 CO 0.14 0.31 -0.37 0.82 -0.67 0.00 0.00 178.83 179.06 1wwt h ILE 34 N -0.88 0.00 -0.84 2.54 2.04 -1.59 0.83 117.51 119.62 1wwt h ILE 34 Ca -0.02 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.04 1wwt h ILE 34 Cb 0.54 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.47 1wwt h ILE 34 CO 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.17 1wwt h ALA 35 N -0.10 0.88 0.08 1.87 0.00 -1.66 0.44 119.26 120.76 1wwt h ALA 35 Ca 0.10 0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.31 1wwt h ALA 35 Cb 0.27 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1wwt h ALA 35 CO -0.57 -0.46 -0.29 0.00 0.00 0.00 0.00 179.25 177.94 1wwt n GLY 37 N -1.40 -1.80 0.00 0.00 0.00 0.15 -1.49 105.19 100.66 1wwt n GLY 37 Ca -0.06 0.99 0.00 0.00 0.00 0.00 0.00 46.02 46.95 1wwt n GLY 37 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wwt n ILE 38 N -5.31 0.00 -3.72 -0.61 -0.00 -0.83 -4.75 119.36 104.14 1wwt n ILE 38 Ca 0.09 1.20 -0.12 0.00 -0.00 0.00 0.00 62.75 63.93 1wwt n ILE 38 Cb 0.36 -1.82 -0.11 0.00 -0.00 0.00 0.00 39.64 38.07 1wwt n ILE 38 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 1wwt s SER 39 N -2.77 -0.43 -0.21 4.38 0.01 -0.56 -5.11 113.70 109.01 1wwt s SER 39 Ca 0.00 0.78 -0.32 0.00 1.31 0.00 0.00 55.95 57.72 1wwt s SER 39 Cb 0.00 0.70 -0.09 0.00 0.21 0.00 0.00 66.02 66.84 1wwt s SER 39 CO 0.00 -0.17 2.13 1.67 0.41 0.00 0.00 173.24 177.28 1wwt n GLN 40 N 3.86 1.81 0.00 12.44 7.27 -1.23 -2.08 117.38 139.45 1wwt n GLN 40 Ca -0.21 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.42 1wwt n GLN 40 Cb 0.55 -2.87 0.00 0.00 2.41 0.00 0.00 30.24 30.33 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 5.63 4.48 0.25 1.69 0.00 -1.26 -4.98 105.19 110.99 1wwt n GLY 41 Ca 0.31 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.66 -2.33 0.99 7.12 -1.69 0.49 115.31 119.23 1wwt h LEU 42 Ca 0.00 0.12 0.02 0.00 0.13 0.00 0.00 57.88 58.15 1wwt h LEU 42 Cb 0.00 0.31 -0.00 0.00 -0.53 0.00 0.00 40.66 40.44 1wwt h LEU 42 CO 0.00 -0.25 0.06 0.00 -0.13 0.00 0.00 178.44 178.12 1wwt h ALA 43 N 0.83 1.69 -0.22 1.25 0.00 -1.79 0.11 119.26 121.13 1wwt h ALA 43 Ca 0.12 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1wwt h ALA 43 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1wwt h ALA 43 CO -0.33 -0.08 -0.53 0.22 0.00 0.00 0.00 179.25 178.52 1wwt h ASP 44 N 0.00 0.70 -2.70 0.00 1.82 -0.50 -3.29 116.42 112.44 1wwt h ASP 44 Ca 0.03 -0.36 -0.77 0.00 -0.39 0.00 0.00 57.03 55.53 1wwt h ASP 44 Cb 0.14 -0.20 -0.30 0.00 0.68 0.00 0.00 39.33 39.64 1wwt h ASP 44 CO -0.00 1.09 0.57 0.59 -1.61 0.00 0.00 179.24 179.88 1wwt n ASN 45 N -3.98 6.09 -4.19 2.28 4.13 0.38 -4.98 115.26 114.98 1wwt n ASN 45 Ca -0.03 -3.46 -0.20 0.00 1.68 0.00 0.00 54.58 52.56 1wwt n ASN 45 Cb 0.60 -1.15 -0.12 0.00 -1.54 0.00 0.00 39.78 37.57 1wwt n ASN 45 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1wwt s THR 46 N -2.99 1.28 0.00 3.41 2.01 -1.22 -4.90 115.64 113.22 1wwt s THR 46 Ca 0.34 -1.28 0.00 0.00 0.31 0.00 0.00 61.69 61.06 1wwt s THR 46 Cb 0.09 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1wwt s THR 46 CO 0.06 -0.11 0.00 0.52 -0.69 0.00 0.00 174.62 174.39 1wwt n VAL 47 N 1.41 0.00 -3.70 3.82 0.31 -1.24 -5.01 118.33 113.91 1wwt n VAL 47 Ca -0.20 0.09 -0.15 0.00 -0.01 0.00 0.00 64.34 64.07 1wwt n VAL 47 Cb 0.54 -1.08 -0.15 0.00 -0.91 0.00 0.00 33.84 32.24 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 -0.98 -0.18 -0.06 2.52 -1.09 -1.26 -4.96 121.20 115.18 1wwt s ILE 48 Ca 0.00 0.26 -0.18 0.00 -2.23 0.00 0.00 60.65 58.50 1wwt s ILE 48 Cb 0.00 -0.31 -0.05 0.00 -1.58 0.00 0.00 42.46 40.52 1wwt s ILE 48 CO 0.00 0.11 0.51 0.00 -1.23 0.00 0.00 174.94 174.33 1wwt s ALA 49 N 1.81 3.51 -0.16 9.38 0.00 -1.12 -1.17 121.76 134.00 1wwt s ALA 49 Ca -0.03 -0.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.71 1wwt s ALA 49 Cb -0.12 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 1wwt s ALA 49 CO -0.07 0.13 0.18 0.15 0.00 0.00 0.00 175.76 176.16 1wwt s LYS 50 N 0.07 4.01 -0.34 0.00 1.02 0.78 0.15 119.74 125.44 1wwt s LYS 50 Ca 0.27 -0.09 0.04 0.00 0.02 0.00 0.00 55.97 56.21 1wwt s LYS 50 Cb -0.16 -3.36 0.10 0.00 -0.52 0.00 0.00 37.83 33.89 1wwt s LYS 50 CO 0.13 0.42 0.05 0.08 -0.92 0.00 0.00 175.35 175.11 1wwt s VAL 51 N -0.02 2.27 0.00 3.17 1.01 0.30 -2.29 120.40 124.85 1wwt s VAL 51 Ca 0.12 -2.33 0.00 0.00 0.00 0.00 0.00 61.98 59.78 1wwt s VAL 51 Cb -0.12 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1wwt s VAL 51 CO 0.02 -0.58 0.00 -3.20 0.00 0.00 0.00 175.10 171.33 1wwt n ASN 52 N 4.26 -1.15 -0.39 3.32 2.85 -0.75 -3.07 115.26 120.33 1wwt n ASN 52 Ca 0.03 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.46 1wwt n ASN 52 Cb 0.42 -0.50 -0.01 0.00 1.24 0.00 0.00 39.78 40.93 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 2.00 -3.14 -4.02 1.20 5.15 -1.26 -4.96 115.26 110.22 1wwt n ASN 53 Ca 0.00 0.08 -0.21 0.00 -0.60 0.00 0.00 54.58 53.85 1wwt n ASN 53 Cb 0.46 -1.45 -0.16 0.00 -0.53 0.00 0.00 39.78 38.11 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 -2.18 0.88 0.11 3.44 -7.23 -1.17 -5.09 120.40 109.15 1wwt s VAL 54 Ca 0.00 -0.42 -0.36 0.00 -1.81 0.00 0.00 61.98 59.40 1wwt s VAL 54 Cb 0.00 -0.78 -0.16 0.00 0.56 0.00 0.00 36.38 36.00 1wwt s VAL 54 CO 0.00 0.27 1.28 0.52 -0.31 0.00 0.00 175.10 176.86 1wwt n VAL 55 N 3.25 0.27 -4.07 1.32 0.31 -1.26 0.11 118.33 118.26 1wwt n VAL 55 Ca -0.18 -0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 63.95 1wwt n VAL 55 Cb 0.54 -0.81 -0.12 0.00 -0.91 0.00 0.00 33.84 32.54 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 0.27 0.66 0.35 3.52 -0.11 0.39 -4.67 118.94 119.35 1wwt s TRP 56 Ca 0.81 -0.46 -0.14 0.00 1.22 0.00 0.00 56.10 57.53 1wwt s TRP 56 Cb -0.93 -0.40 -0.08 0.00 -1.50 0.00 0.00 33.47 30.56 1wwt s TRP 56 CO 0.49 -0.07 0.75 -0.51 -4.62 0.00 0.00 176.95 172.98 1wwt s ASP 57 N -1.44 6.71 0.26 5.86 1.01 -1.26 -2.81 116.67 125.00 1wwt s ASP 57 Ca -0.09 1.25 0.13 0.00 0.71 0.00 0.00 52.55 54.56 1wwt s ASP 57 Cb -0.09 -2.36 0.22 0.00 1.01 0.00 0.00 42.92 41.69 1wwt s ASP 57 CO 0.00 -0.26 1.51 -0.07 0.21 0.00 0.00 175.17 176.57 1wwt h LEU 58 N 1.99 0.00 0.00 1.23 3.38 -1.91 -2.96 115.31 117.04 1wwt h LEU 58 Ca -0.48 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 1wwt h LEU 58 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1wwt h LEU 58 CO 0.65 0.62 -0.58 0.44 0.09 0.00 0.00 178.44 179.66 1wwt h ASP 59 N 0.00 0.00 -3.35 -0.43 5.19 -1.93 -3.30 116.42 112.60 1wwt h ASP 59 Ca -0.01 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.82 1wwt h ASP 59 Cb 1.30 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.73 1wwt h ASP 59 CO 0.08 0.23 0.26 -0.60 -3.12 0.00 0.00 179.24 176.08 1wwt s ARG 60 N -3.13 4.29 0.43 3.56 3.52 -1.12 -5.01 118.95 121.48 1wwt s ARG 60 Ca 0.03 0.86 -0.23 0.00 -0.13 0.00 0.00 55.73 56.26 1wwt s ARG 60 Cb 0.07 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.82 1wwt s ARG 60 CO 0.74 -0.24 1.05 -1.25 -0.81 0.00 0.00 175.30 174.78 1wwt s PRO 61 N 1.88 4.03 1.14 5.12 0.04 -1.26 -4.42 135.00 141.54 1wwt s PRO 61 Ca 0.35 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.69 1wwt s PRO 61 Cb -0.16 -2.39 0.19 0.00 0.04 0.00 0.00 34.50 32.17 1wwt s PRO 61 CO 0.12 -0.25 0.33 1.28 0.04 0.00 0.00 177.00 178.53 1wwt n LEU 62 N -0.37 -1.57 -0.04 -3.56 7.99 -0.92 -4.63 117.00 113.89 1wwt n LEU 62 Ca 0.06 -0.37 -0.05 0.00 -0.01 0.00 0.00 56.01 55.64 1wwt n LEU 62 Cb 0.50 -0.89 -0.04 0.00 -0.11 0.00 0.00 43.42 42.88 1wwt n LEU 62 CO 0.43 -3.41 -0.76 -0.62 -1.51 0.00 0.00 177.39 171.52 1wwt n GLU 63 N -2.71 0.40 -3.69 3.23 1.02 -1.26 -2.57 120.64 115.06 1wwt n GLU 63 Ca 0.05 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1wwt n GLU 63 Cb 0.50 -1.16 0.01 0.00 -0.02 0.00 0.00 31.44 30.77 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 -2.70 0.35 -1.25 3.49 0.28 -1.26 -4.60 120.64 114.95 1wwt n GLU 64 Ca -0.14 -0.97 -0.60 0.00 -0.16 0.00 0.00 57.16 55.29 1wwt n GLU 64 Cb 0.65 1.43 -0.12 0.00 1.43 0.00 0.00 31.44 34.84 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 -1.09 0.78 -3.24 -1.84 5.75 -1.26 -4.77 116.55 110.87 1wwt n ASP 65 Ca 0.01 0.67 -0.12 0.00 -0.01 0.00 0.00 54.79 55.35 1wwt n ASP 65 Cb 0.52 -0.91 -0.02 0.00 -1.03 0.00 0.00 41.12 39.68 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 -2.96 5.07 -0.06 0.00 -4.23 -1.26 -3.29 115.64 108.91 1wwt s THR 67 Ca 0.25 -0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1wwt s THR 67 Cb -0.02 -3.33 -0.03 0.00 1.34 0.00 0.00 72.50 70.47 1wwt s THR 67 CO 0.16 0.37 -0.13 -0.22 -0.54 0.00 0.00 174.62 174.27 1wwt s LEU 68 N -1.73 2.83 -0.16 4.79 2.96 -0.45 -1.80 118.68 125.11 1wwt s LEU 68 Ca 0.24 -0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 53.91 1wwt s LEU 68 Cb -0.12 -1.59 0.07 0.00 0.50 0.00 0.00 46.19 45.05 1wwt s LEU 68 CO 0.15 0.33 0.37 -0.70 -1.32 0.00 0.00 176.35 175.18 1wwt s GLU 69 N -0.66 0.30 -0.30 1.98 2.12 -0.97 -2.74 118.70 118.45 1wwt s GLU 69 Ca 0.10 0.83 -0.18 0.00 0.36 0.00 0.00 54.97 56.08 1wwt s GLU 69 Cb -0.11 0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.34 1wwt s GLU 69 CO 0.01 -0.21 0.53 -0.51 -0.54 0.00 0.00 175.26 174.54 1wwt s LEU 70 N 1.95 4.15 0.55 2.70 2.01 -1.26 -0.15 118.68 128.62 1wwt s LEU 70 Ca -0.05 0.33 -0.17 0.00 0.01 0.00 0.00 54.13 54.26 1wwt s LEU 70 Cb -0.10 -2.66 -0.06 0.00 0.01 0.00 0.00 46.19 43.38 1wwt s LEU 70 CO -0.12 -0.38 1.03 -0.76 1.01 0.00 0.00 176.35 177.14 1wwt s LEU 71 N 2.38 3.60 -0.28 1.79 1.02 -0.32 -4.97 118.68 121.90 1wwt s LEU 71 Ca 0.21 1.74 -0.06 0.00 0.02 0.00 0.00 54.13 56.04 1wwt s LEU 71 Cb -0.15 -4.53 0.00 0.00 0.02 0.00 0.00 46.19 41.53 1wwt s LEU 71 CO 0.11 -0.89 0.05 -1.59 0.02 0.00 0.00 176.35 174.06 1wwt s LYS 72 N -3.94 3.17 0.25 1.70 0.00 -1.26 -3.67 119.74 115.98 1wwt s LYS 72 Ca 0.62 -0.80 0.00 0.00 0.00 0.00 0.00 55.97 55.80 1wwt s LYS 72 Cb -0.14 -3.29 0.00 0.00 0.00 0.00 0.00 37.83 34.41 1wwt s LYS 72 CO 0.32 -0.38 0.00 0.34 0.00 0.00 0.00 175.35 175.63 1wwt n PHE 73 N 4.85 -4.37 -1.02 1.78 7.35 -1.26 -4.85 117.46 119.94 1wwt n PHE 73 Ca -0.15 2.50 -0.36 0.00 -0.76 0.00 0.00 57.45 58.67 1wwt n PHE 73 Cb 0.49 -3.29 0.04 0.00 0.35 0.00 0.00 39.48 37.07 1wwt n PHE 73 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1wwt n GLU 74 N 1.38 -0.02 -3.31 -4.13 1.02 -1.26 -4.99 120.64 109.34 1wwt n GLU 74 Ca 0.00 -0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1wwt n GLU 74 Cb 0.00 -1.10 -0.06 0.00 -0.02 0.00 0.00 31.44 30.26 1wwt n GLU 74 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1wwt s ASP 75 N -1.11 0.36 -0.39 1.62 2.15 -1.26 -5.00 116.67 113.04 1wwt s ASP 75 Ca 0.44 -0.81 -0.22 0.00 0.43 0.00 0.00 52.55 52.39 1wwt s ASP 75 Cb -0.23 1.06 0.03 0.00 -0.30 0.00 0.00 42.92 43.48 1wwt s ASP 75 CO 0.79 -0.30 0.52 1.21 -0.17 0.00 0.00 175.17 177.22 1wwt n GLU 76 N 4.88 -2.15 -3.48 4.34 2.13 -1.26 -5.03 120.64 120.08 1wwt n GLU 76 Ca 0.05 1.81 -0.13 0.00 0.66 0.00 0.00 57.16 59.55 1wwt n GLU 76 Cb 0.49 -3.86 -0.03 0.00 0.27 0.00 0.00 31.44 28.30 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 -2.32 1.19 0.43 5.31 2.12 -1.26 -5.08 118.70 119.09 1wwt s GLU 77 Ca 0.26 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.26 1wwt s GLU 77 Cb -0.05 0.55 0.00 0.00 0.26 0.00 0.00 34.13 34.89 1wwt s GLU 77 CO 0.75 -0.48 0.00 0.00 -0.54 0.00 0.00 175.26 174.99 1wwt n ALA 78 N -0.03 0.72 0.38 6.30 0.00 -1.26 -4.97 120.51 121.66 1wwt n ALA 78 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.08 1wwt n ALA 78 Cb 0.63 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.99 1wwt n ALA 78 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1wwt h GLN 79 N 0.00 -1.02 -4.37 0.00 4.20 -2.05 -3.22 115.11 108.65 1wwt h GLN 79 Ca 0.00 0.07 -0.72 0.00 0.06 0.00 0.00 58.65 58.06 1wwt h GLN 79 Cb 0.00 0.23 -0.11 0.00 0.30 0.00 0.00 27.48 27.91 1wwt h GLN 79 CO 0.00 -0.68 2.30 0.00 -0.67 0.00 0.00 178.83 179.78 1wwt n ALA 80 N -2.67 4.79 -0.02 3.87 0.00 -1.26 -4.34 120.51 120.88 1wwt n ALA 80 Ca -0.14 -4.07 -0.05 0.00 0.00 0.00 0.00 53.44 49.19 1wwt n ALA 80 Cb 0.45 -3.30 -0.02 0.00 0.00 0.00 0.00 19.45 16.58 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 4.75 0.25 0.00 0.00 3.14 -1.22 -4.99 118.33 120.26 1wwt n VAL 81 Ca 0.45 -0.07 0.00 0.00 -2.96 0.00 0.00 64.34 61.76 1wwt n VAL 81 Cb 0.40 -1.47 0.00 0.00 -1.06 0.00 0.00 33.84 31.72 1wwt n VAL 81 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1wwt n TYR 82 N -3.14 -1.37 -1.34 1.45 4.02 -1.26 -4.98 117.16 110.54 1wwt n TYR 82 Ca -0.09 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 57.97 1wwt n TYR 82 Cb 0.57 0.49 -0.08 0.00 -0.02 0.00 0.00 39.34 40.30 1wwt n TYR 82 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1wwt n SER 83 N -2.49 -7.46 0.00 7.72 7.64 -1.26 -4.91 113.62 112.86 1wwt n SER 83 Ca 0.00 1.26 0.00 0.00 1.01 0.00 0.00 58.87 61.14 1wwt n SER 83 Cb 0.00 -4.54 0.00 0.00 -1.01 0.00 0.00 64.21 58.66 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 -4.17 0.88 3.82 0.23 0.00 -1.26 -5.09 105.19 99.59 1wwt n GLY 84 Ca -0.08 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.58 3.14 -0.29 1.61 0.04 -1.26 -4.91 135.00 131.75 1wwt s PRO 85 Ca 0.00 1.04 -0.30 0.00 0.04 0.00 0.00 61.00 61.79 1wwt s PRO 85 Cb 0.00 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 1wwt s PRO 85 CO 0.00 -0.95 2.24 0.45 0.04 0.00 0.00 177.00 178.78 1wwt n SER 86 N -2.64 2.82 -3.84 6.66 2.88 -1.26 -4.92 113.62 113.32 1wwt n SER 86 Ca 0.08 0.20 -0.12 0.00 -1.33 0.00 0.00 58.87 57.69 1wwt n SER 86 Cb 0.53 -1.47 -0.13 0.00 -0.75 0.00 0.00 64.21 62.39 1wwt n SER 86 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wwt s SER 87 N 8.40 -0.10 0.00 -3.46 0.01 -1.26 -5.32 113.70 111.97 1wwt s SER 87 Ca 1.04 0.20 0.00 0.00 1.31 0.00 0.00 55.95 58.50 1wwt s SER 87 Cb -0.48 0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1wwt s SER 87 CO 0.38 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.61