#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvd s ILE 7 N 0.00 -0.77 0.25 1.12 2.07 -1.26 -5.01 121.20 117.59 1dvd s ILE 7 Ca 0.00 -0.53 -0.04 0.00 -1.41 0.00 0.00 60.65 58.67 1dvd s ILE 7 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 42.46 42.65 1dvd s ILE 7 CO 0.00 0.00 0.31 -0.81 -1.91 0.00 0.00 174.94 172.53 1dvd n PRO 8 N 3.27 -0.51 0.00 3.50 -0.04 -1.26 -4.95 135.00 135.01 1dvd n PRO 8 Ca 0.14 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 1dvd n PRO 8 Cb 0.59 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.70 1dvd n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dvd n GLY 9 N 2.55 4.41 2.84 0.55 0.00 -1.22 -3.56 105.19 110.76 1dvd n GLY 9 Ca 0.04 -0.85 -0.16 0.00 0.00 0.00 0.00 46.02 45.05 1dvd n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dvd s GLY 10 N 0.00 -0.03 0.31 -0.02 0.00 -1.26 -4.71 107.32 101.60 1dvd s GLY 10 Ca 0.00 0.51 -0.29 0.00 0.00 0.00 0.00 44.72 44.94 1dvd s GLY 10 CO 0.00 2.03 1.34 1.04 0.00 0.00 0.00 173.10 177.50 1dvd n LEU 11 N 5.33 3.45 -4.97 0.66 4.32 -1.26 -4.62 117.00 119.91 1dvd n LEU 11 Ca -0.05 1.19 -0.19 0.00 -0.02 0.00 0.00 56.01 56.94 1dvd n LEU 11 Cb 0.50 -1.47 -0.01 0.00 -1.62 0.00 0.00 43.42 40.82 1dvd n LEU 11 CO 0.06 -0.46 0.07 -0.44 -1.22 0.00 0.00 177.39 175.40 1dvd s SER 12 N -0.10 5.63 0.97 -1.43 0.01 -1.22 -4.98 113.70 112.58 1dvd s SER 12 Ca 0.59 -0.40 -0.12 0.00 1.31 0.00 0.00 55.95 57.34 1dvd s SER 12 Cb -0.59 -0.88 0.17 0.00 0.21 0.00 0.00 66.02 64.94 1dvd s SER 12 CO 0.58 -0.59 0.37 1.21 0.41 0.00 0.00 173.24 175.22 1dvd n GLU 13 N -1.68 -2.25 -2.22 12.44 2.13 -1.26 -4.66 120.64 123.14 1dvd n GLU 13 Ca 0.03 -0.67 -0.36 0.00 0.66 0.00 0.00 57.16 56.82 1dvd n GLU 13 Cb 0.59 -1.44 -0.04 0.00 0.27 0.00 0.00 31.44 30.83 1dvd n GLU 13 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1dvd s ALA 14 N -2.06 2.24 0.15 4.31 0.00 -1.26 -4.65 121.76 120.48 1dvd s ALA 14 Ca 0.33 -1.23 -0.31 0.00 0.00 0.00 0.00 51.96 50.75 1dvd s ALA 14 Cb -0.06 -4.39 -0.08 0.00 0.00 0.00 0.00 23.12 18.60 1dvd s ALA 14 CO 0.29 -3.96 1.34 0.15 0.00 0.00 0.00 175.76 173.58 1dvd s LYS 15 N 6.49 4.36 0.05 0.00 -0.14 -0.45 -4.66 119.74 125.38 1dvd s LYS 15 Ca 0.58 2.04 -0.31 0.00 -1.36 0.00 0.00 55.97 56.93 1dvd s LYS 15 Cb -0.08 -3.23 -0.08 0.00 -1.68 0.00 0.00 37.83 32.76 1dvd s LYS 15 CO 0.10 -0.35 1.61 -1.25 -0.76 0.00 0.00 175.35 174.70 1dvd s PRO 16 N 0.60 4.21 -0.17 -1.68 0.04 -1.26 0.27 135.00 137.00 1dvd s PRO 16 Ca 0.61 2.26 -0.39 0.00 0.04 0.00 0.00 61.00 63.51 1dvd s PRO 16 Cb -0.36 -3.61 -0.16 0.00 0.04 0.00 0.00 34.50 30.41 1dvd s PRO 16 CO 0.33 -0.71 1.60 0.00 0.04 0.00 0.00 177.00 178.27 1dvd n ALA 17 N 5.61 -0.55 -2.63 8.56 0.00 -0.75 -4.79 120.51 125.97 1dvd n ALA 17 Ca 0.15 0.43 -0.07 0.00 0.00 0.00 0.00 53.44 53.96 1dvd n ALA 17 Cb 0.41 -2.16 0.03 0.00 0.00 0.00 0.00 19.45 17.73 1dvd n ALA 17 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1dvd n THR 18 N 3.89 0.00 0.29 0.00 -2.24 -1.26 -4.80 114.28 110.16 1dvd n THR 18 Ca 0.24 -0.49 0.19 0.00 -2.27 0.00 0.00 64.05 61.72 1dvd n THR 18 Cb 0.14 -1.08 0.81 0.00 -2.10 0.00 0.00 70.33 68.10 1dvd n THR 18 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1dvd h PRO 19 N 0.00 0.00 0.11 -0.78 0.13 -1.97 -1.49 132.00 128.00 1dvd h PRO 19 Ca -0.09 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.76 1dvd h PRO 19 Cb 0.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 1dvd h PRO 19 CO 0.10 0.00 -1.33 0.93 -0.23 0.00 0.00 178.00 177.48 1dvd h GLU 20 N 0.00 0.24 -0.13 0.86 5.08 -1.97 -1.04 114.58 117.61 1dvd h GLU 20 Ca -0.00 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 57.90 1dvd h GLU 20 Cb 0.39 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1dvd h GLU 20 CO 0.00 1.16 -0.11 0.82 -1.00 0.00 0.00 179.01 179.88 1dvd h ILE 21 N 0.07 1.34 0.00 3.13 5.03 -1.77 -1.38 117.51 123.93 1dvd h ILE 21 Ca -0.16 -1.22 0.00 0.00 -0.12 0.00 0.00 64.86 63.35 1dvd h ILE 21 Cb 1.97 1.85 0.00 0.00 -3.03 0.00 0.00 36.82 37.61 1dvd h ILE 21 CO 0.18 0.36 0.00 1.67 -0.68 0.00 0.00 178.15 179.68 1dvd n GLN 22 N -4.61 0.14 0.06 2.37 -0.06 -0.61 -1.85 117.38 112.82 1dvd n GLN 22 Ca -0.06 0.39 -0.21 0.00 -2.00 0.00 0.00 57.00 55.12 1dvd n GLN 22 Cb 0.33 -1.78 -0.11 0.00 -4.06 0.00 0.00 30.24 24.62 1dvd n GLN 22 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1dvd h GLU 23 N 0.00 0.67 0.15 3.69 4.81 -0.22 0.57 114.58 124.25 1dvd h GLU 23 Ca 0.00 -0.78 -0.01 0.00 -0.13 0.00 0.00 59.36 58.44 1dvd h GLU 23 Cb 0.32 0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1dvd h GLU 23 CO 0.00 1.34 -0.07 0.82 -0.73 0.00 0.00 179.01 180.37 1dvd h ILE 24 N 0.34 0.88 -0.58 2.32 2.04 -0.53 0.88 117.51 122.86 1dvd h ILE 24 Ca -0.15 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 1dvd h ILE 24 Cb 1.76 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 1dvd h ILE 24 CO 0.21 0.02 0.16 1.62 0.00 0.00 0.00 178.15 180.16 1dvd h VAL 25 N -0.24 1.25 0.00 1.67 3.04 -1.53 0.12 116.25 120.57 1dvd h VAL 25 Ca -0.02 -0.87 0.00 0.00 -1.01 0.00 0.00 66.70 64.80 1dvd h VAL 25 Cb 0.18 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 30.17 1dvd h VAL 25 CO 0.03 0.32 0.00 -0.67 -1.01 0.00 0.00 177.57 176.25 1dvd n ASP 26 N -4.39 0.69 0.03 3.17 2.03 0.19 0.56 116.55 118.84 1dvd n ASP 26 Ca 0.03 0.69 0.11 0.00 0.52 0.00 0.00 54.79 56.14 1dvd n ASP 26 Cb 0.23 -0.83 0.03 0.00 -0.72 0.00 0.00 41.12 39.83 1dvd n ASP 26 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1dvd n LYS 27 N -2.28 0.32 0.00 -0.67 4.76 0.30 -4.17 118.16 116.42 1dvd n LYS 27 Ca 0.02 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1dvd n LYS 27 Cb 0.21 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 1dvd n LYS 27 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1dvd n VAL 28 N -2.04 0.00 -0.26 -0.18 0.24 0.04 -4.69 118.33 111.45 1dvd n VAL 28 Ca 0.02 -0.50 0.06 0.00 -2.04 0.00 0.00 64.34 61.87 1dvd n VAL 28 Cb 0.45 1.00 0.19 0.00 -1.47 0.00 0.00 33.84 34.01 1dvd n VAL 28 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1dvd h LYS 29 N 0.03 0.39 -0.05 7.34 3.64 -0.04 0.59 116.57 128.46 1dvd h LYS 29 Ca 0.00 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.17 1dvd h LYS 29 Cb 0.01 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1dvd h LYS 29 CO 0.00 0.26 -0.75 -1.00 -2.27 0.00 0.00 179.45 175.69 1dvd h PRO 30 N 0.40 0.33 0.00 1.90 0.13 -1.85 -1.34 132.00 131.57 1dvd h PRO 30 Ca 0.42 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1dvd h PRO 30 Cb 0.66 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1dvd h PRO 30 CO -0.43 0.94 0.00 1.04 -0.23 0.00 0.00 178.00 179.32 1dvd n GLN 31 N -3.80 0.33 -0.11 0.86 6.02 0.17 -2.80 117.38 118.04 1dvd n GLN 31 Ca -0.04 0.08 -0.14 0.00 -0.01 0.00 0.00 57.00 56.88 1dvd n GLN 31 Cb 0.72 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.34 1dvd n GLN 31 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1dvd n LEU 32 N -1.28 1.74 0.15 1.08 4.77 0.18 -3.35 117.00 120.29 1dvd n LEU 32 Ca 0.11 -0.08 -0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1dvd n LEU 32 Cb 0.17 -0.32 0.20 0.00 -2.33 0.00 0.00 43.42 41.14 1dvd n LEU 32 CO 0.17 0.75 0.53 -0.08 -1.33 0.00 0.00 177.39 177.42 1dvd h GLU 33 N 0.00 0.00 0.00 3.23 4.22 -1.13 -3.04 114.58 117.87 1dvd h GLU 33 Ca -0.56 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.88 1dvd h GLU 33 Cb 2.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.27 1dvd h GLU 33 CO -0.04 0.58 -1.72 0.39 -2.18 0.00 0.00 179.01 176.03 1dvd n GLU 34 N -3.76 0.51 -0.00 1.92 1.02 -1.12 -3.20 120.64 116.00 1dvd n GLU 34 Ca -0.01 -0.14 -0.01 0.00 -0.02 0.00 0.00 57.16 56.98 1dvd n GLU 34 Cb 0.60 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 30.48 1dvd n GLU 34 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1dvd h LYS 35 N 0.00 -0.09 0.00 3.49 3.64 -1.56 -3.33 116.57 118.71 1dvd h LYS 35 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1dvd h LYS 35 Cb 0.89 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1dvd h LYS 35 CO 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 179.45 177.12 1dvd h THR 36 N -0.85 0.00 0.00 1.00 1.03 -1.77 -3.46 112.91 108.85 1dvd h THR 36 Ca -0.01 -0.61 0.00 0.00 -0.01 0.00 0.00 66.41 65.79 1dvd h THR 36 Cb 0.07 1.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.73 1dvd h THR 36 CO 0.02 0.00 0.00 -0.46 -0.01 0.00 0.00 175.52 175.07 1dvd n ASN 37 N -2.99 -2.14 -4.60 0.00 6.94 -1.22 -5.04 115.26 106.21 1dvd n ASN 37 Ca 0.02 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.24 1dvd n ASN 37 Cb 0.36 -0.36 -0.11 0.00 -2.36 0.00 0.00 39.78 37.31 1dvd n ASN 37 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1dvd s GLU 38 N -0.50 2.93 -0.06 -3.83 2.12 -1.20 -4.97 118.70 113.19 1dvd s GLU 38 Ca 0.00 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.53 1dvd s GLU 38 Cb 0.00 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 1dvd s GLU 38 CO 0.00 0.63 1.15 0.99 -0.54 0.00 0.00 175.26 177.49 1dvd s THR 39 N -0.70 4.37 0.55 -1.70 2.01 -1.26 -4.09 115.64 114.82 1dvd s THR 39 Ca 0.11 1.68 0.04 0.00 0.31 0.00 0.00 61.69 63.83 1dvd s THR 39 Cb -0.11 -4.08 0.03 0.00 0.01 0.00 0.00 72.50 68.35 1dvd s THR 39 CO 0.02 0.01 0.30 -0.31 -0.69 0.00 0.00 174.62 173.95 1dvd s TYR 40 N 2.08 1.56 0.00 4.92 2.02 -1.26 -5.03 117.35 121.64 1dvd s TYR 40 Ca 0.54 -0.92 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 1dvd s TYR 40 Cb -0.23 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.52 1dvd s TYR 40 CO 0.22 -0.33 0.00 0.41 -1.57 0.00 0.00 175.55 174.28 1dvd n GLY 43 N -1.67 4.18 3.66 0.71 0.00 -1.26 -5.02 105.19 105.79 1dvd n GLY 43 Ca -0.08 -1.37 -0.61 0.00 0.00 0.00 0.00 46.02 43.96 1dvd n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dvd n LYS 44 N 0.00 0.44 -3.41 1.61 4.01 -1.26 -4.59 118.16 114.95 1dvd n LYS 44 Ca 0.00 0.16 -0.45 0.00 -0.51 0.00 0.00 58.31 57.51 1dvd n LYS 44 Cb 0.00 -1.72 -0.04 0.00 -0.51 0.00 0.00 35.03 32.76 1dvd n LYS 44 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1dvd s LEU 45 N 2.07 6.40 -1.13 -0.35 1.43 -1.25 -1.65 118.68 124.20 1dvd s LEU 45 Ca 0.97 -2.62 -0.22 0.00 -1.03 0.00 0.00 54.13 51.23 1dvd s LEU 45 Cb -1.27 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 1dvd s LEU 45 CO 0.67 -0.57 1.88 -0.70 0.23 0.00 0.00 176.35 177.86 1dvd s GLU 46 N 0.29 2.81 0.10 1.70 2.56 -0.71 -4.62 118.70 120.82 1dvd s GLU 46 Ca 0.16 -1.11 -0.34 0.00 0.00 0.00 0.00 54.97 53.67 1dvd s GLU 46 Cb -0.14 -5.26 -0.19 0.00 2.00 0.00 0.00 34.13 30.54 1dvd s GLU 46 CO -0.07 -3.48 0.82 0.00 -0.56 0.00 0.00 175.26 171.97 1dvd n ALA 47 N 13.02 -3.25 -0.01 6.30 0.00 -1.26 -1.67 120.51 133.64 1dvd n ALA 47 Ca 0.44 0.52 -0.02 0.00 0.00 0.00 0.00 53.44 54.39 1dvd n ALA 47 Cb 0.47 -1.70 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 1dvd n ALA 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dvd n VAL 48 N 0.81 0.12 -4.17 0.00 0.31 -0.15 -4.65 118.33 110.59 1dvd n VAL 48 Ca 0.19 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.35 1dvd n VAL 48 Cb 0.16 -0.78 -0.09 0.00 -0.91 0.00 0.00 33.84 32.23 1dvd n VAL 48 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1dvd s GLN 49 N -2.04 1.38 -0.29 5.55 -0.21 -1.03 -1.80 119.66 121.22 1dvd s GLN 49 Ca -0.03 -1.62 -0.22 0.00 0.02 0.00 0.00 55.36 53.52 1dvd s GLN 49 Cb 0.01 0.33 0.15 0.00 1.00 0.00 0.00 33.01 34.49 1dvd s GLN 49 CO 0.04 -0.50 1.10 1.52 -2.12 0.00 0.00 175.29 175.34 1dvd s TYR 50 N -3.97 -0.41 0.22 0.91 1.13 0.14 -0.88 117.35 114.49 1dvd s TYR 50 Ca 0.36 0.92 0.07 0.00 -1.41 0.00 0.00 57.07 57.01 1dvd s TYR 50 Cb 0.05 0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 1dvd s TYR 50 CO 0.14 -0.20 0.08 0.15 -2.51 0.00 0.00 175.55 173.21 1dvd s LYS 51 N 0.57 2.61 -0.00 -3.49 1.02 0.57 -1.34 119.74 119.68 1dvd s LYS 51 Ca -0.00 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 54.87 1dvd s LYS 51 Cb -0.04 -2.42 -0.00 0.00 -0.52 0.00 0.00 37.83 34.85 1dvd s LYS 51 CO -0.11 0.42 -0.01 0.95 -0.92 0.00 0.00 175.35 175.68 1dvd s THR 52 N -1.98 0.11 0.28 2.17 -4.23 -1.26 0.13 115.64 110.85 1dvd s THR 52 Ca 0.30 -0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.77 1dvd s THR 52 Cb -0.08 -0.11 -0.04 0.00 1.34 0.00 0.00 72.50 73.61 1dvd s THR 52 CO 0.21 0.02 0.18 0.00 -0.54 0.00 0.00 174.62 174.50 1dvd s GLN 53 N -0.06 1.51 0.24 3.99 -2.07 -1.26 -3.38 119.66 118.63 1dvd s GLN 53 Ca 0.00 -1.85 0.09 0.00 -1.82 0.00 0.00 55.36 51.79 1dvd s GLN 53 Cb -0.01 0.13 -0.04 0.00 -1.09 0.00 0.00 33.01 32.00 1dvd s GLN 53 CO -0.00 -0.48 -0.03 0.54 -1.32 0.00 0.00 175.29 174.00 1dvd s VAL 54 N -3.74 3.38 0.00 3.63 0.11 -1.26 -3.07 120.40 119.45 1dvd s VAL 54 Ca 0.38 -1.85 0.00 0.00 -2.93 0.00 0.00 61.98 57.58 1dvd s VAL 54 Cb 0.05 -2.77 0.00 0.00 -1.53 0.00 0.00 36.38 32.12 1dvd s VAL 54 CO 0.19 -0.31 0.00 1.33 -3.33 0.00 0.00 175.10 172.98 1dvd n VAL 55 N -0.65 0.00 -1.15 2.04 0.24 -1.23 -3.40 118.33 114.17 1dvd n VAL 55 Ca -0.07 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.08 1dvd n VAL 55 Cb 0.58 0.00 0.24 0.00 -1.47 0.00 0.00 33.84 33.19 1dvd n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dvd n ALA 56 N -3.00 5.07 0.00 2.33 0.00 -1.26 -4.75 120.51 118.90 1dvd n ALA 56 Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 53.44 50.79 1dvd n ALA 56 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1dvd n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dvd n GLY 57 N -0.68 -0.18 2.92 0.00 0.00 -1.26 -4.73 105.19 101.26 1dvd n GLY 57 Ca 0.50 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.34 1dvd n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dvd s THR 58 N 0.00 -0.62 0.13 2.61 2.01 -1.23 -4.50 115.64 114.04 1dvd s THR 58 Ca 0.00 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 1dvd s THR 58 Cb 0.00 -0.83 0.03 0.00 0.01 0.00 0.00 72.50 71.71 1dvd s THR 58 CO 0.00 -0.13 0.13 0.59 -0.69 0.00 0.00 174.62 174.52 1dvd n ASN 59 N 5.37 -0.80 -3.93 3.53 3.02 -1.17 -2.41 115.26 118.86 1dvd n ASN 59 Ca -0.03 -0.71 -0.09 0.00 -0.03 0.00 0.00 54.58 53.72 1dvd n ASN 59 Cb 0.50 -0.11 -0.08 0.00 -0.61 0.00 0.00 39.78 39.47 1dvd n ASN 59 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1dvd s TYR 60 N -1.25 0.25 -0.00 3.10 2.02 0.25 -4.09 117.35 117.63 1dvd s TYR 60 Ca 0.08 -0.68 0.01 0.00 -0.37 0.00 0.00 57.07 56.11 1dvd s TYR 60 Cb -0.01 -0.16 -0.00 0.00 -0.40 0.00 0.00 41.96 41.39 1dvd s TYR 60 CO 0.06 -0.46 -0.02 0.71 -1.57 0.00 0.00 175.55 174.28 1dvd s TYR 61 N -3.54 0.15 -0.22 2.71 1.51 0.12 -2.29 117.35 115.78 1dvd s TYR 61 Ca 0.03 -0.03 -0.09 0.00 -1.01 0.00 0.00 57.07 55.97 1dvd s TYR 61 Cb 0.04 -0.10 0.09 0.00 -0.11 0.00 0.00 41.96 41.89 1dvd s TYR 61 CO -0.09 -0.00 0.50 0.42 -1.11 0.00 0.00 175.55 175.27 1dvd s ILE 62 N -0.04 -0.50 -0.83 2.71 1.01 -0.41 -0.32 121.20 122.83 1dvd s ILE 62 Ca 0.01 0.09 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 1dvd s ILE 62 Cb -0.01 -0.77 0.14 0.00 0.01 0.00 0.00 42.46 41.84 1dvd s ILE 62 CO -0.00 0.04 0.95 -0.75 0.00 0.00 0.00 174.94 175.18 1dvd s LYS 63 N 2.27 3.47 -0.04 2.79 2.20 -0.06 -0.03 119.74 130.34 1dvd s LYS 63 Ca -0.05 -1.81 -0.06 0.00 -0.36 0.00 0.00 55.97 53.69 1dvd s LYS 63 Cb -0.10 -4.63 -0.04 0.00 -1.51 0.00 0.00 37.83 31.54 1dvd s LYS 63 CO -0.15 -1.61 0.21 0.14 -0.36 0.00 0.00 175.35 173.57 1dvd s VAL 64 N 2.12 5.40 0.15 4.02 -7.23 -1.01 -0.98 120.40 122.88 1dvd s VAL 64 Ca 0.24 0.12 -0.31 0.00 -1.81 0.00 0.00 61.98 60.22 1dvd s VAL 64 Cb -0.10 -3.51 -0.09 0.00 0.56 0.00 0.00 36.38 33.24 1dvd s VAL 64 CO -0.05 0.45 1.42 -0.13 -0.31 0.00 0.00 175.10 176.48 1dvd s ARG 65 N -1.53 4.30 -0.20 4.82 0.52 -0.67 -0.86 118.95 125.33 1dvd s ARG 65 Ca 0.23 2.16 -0.03 0.00 -0.52 0.00 0.00 55.73 57.58 1dvd s ARG 65 Cb -0.13 -3.20 0.02 0.00 0.52 0.00 0.00 34.95 32.16 1dvd s ARG 65 CO 0.13 -0.44 2.56 0.00 0.02 0.00 0.00 175.30 177.57 1dvd n ALA 66 N 3.55 5.46 0.00 2.13 0.00 -0.58 -1.74 120.51 129.34 1dvd n ALA 66 Ca 0.11 -1.63 0.00 0.00 0.00 0.00 0.00 53.44 51.91 1dvd n ALA 66 Cb 0.41 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1dvd n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dvd n GLY 67 N 1.24 1.07 0.00 0.00 0.00 -0.66 -4.46 105.19 102.38 1dvd n GLY 67 Ca 0.30 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1dvd n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dvd n ASP 68 N 1.60 0.00 -0.01 1.61 5.68 -1.26 -4.70 116.55 119.47 1dvd n ASP 68 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1dvd n ASP 68 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1dvd n ASP 68 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1dvd n ASN 92 N 0.00 0.84 -3.33 -1.12 6.94 -1.26 -5.03 115.26 112.30 1dvd n ASN 92 Ca 0.00 -0.92 -0.24 0.00 -0.02 0.00 0.00 54.58 53.40 1dvd n ASN 92 Cb 0.00 0.19 0.21 0.00 -2.36 0.00 0.00 39.78 37.82 1dvd n ASN 92 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1dvd n LYS 93 N -0.17 -2.96 -4.03 -3.83 4.01 -1.26 -4.83 118.16 105.08 1dvd n LYS 93 Ca 0.00 -1.38 -0.10 0.00 -0.51 0.00 0.00 58.31 56.32 1dvd n LYS 93 Cb 0.01 -1.35 -0.08 0.00 -0.51 0.00 0.00 35.03 33.10 1dvd n LYS 93 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1dvd s TYR 94 N -2.51 0.57 -0.24 2.13 2.02 -1.26 -1.52 117.35 116.55 1dvd s TYR 94 Ca 0.57 -0.91 -0.03 0.00 -0.37 0.00 0.00 57.07 56.32 1dvd s TYR 94 Cb -0.06 -0.15 0.13 0.00 -0.40 0.00 0.00 41.96 41.48 1dvd s TYR 94 CO 0.44 -0.73 0.39 1.41 -1.57 0.00 0.00 175.55 175.50 1dvd s MET 95 N -4.02 0.35 0.49 -0.62 -2.45 -0.04 -3.60 119.30 109.42 1dvd s MET 95 Ca 0.22 0.62 -0.22 0.00 -1.25 0.00 0.00 55.69 55.07 1dvd s MET 95 Cb 0.04 -0.33 -0.07 0.00 1.25 0.00 0.00 34.83 35.72 1dvd s MET 95 CO 0.04 -0.59 1.16 -1.01 1.05 0.00 0.00 175.02 175.66 1dvd s HIS 96 N 2.57 2.80 0.11 4.11 3.76 -0.49 -2.39 115.29 125.76 1dvd s HIS 96 Ca 0.11 1.54 0.06 0.00 -0.15 0.00 0.00 55.06 56.62 1dvd s HIS 96 Cb -0.15 -3.35 -0.04 0.00 1.11 0.00 0.00 32.58 30.15 1dvd s HIS 96 CO -0.16 -1.55 -0.16 -1.17 -0.85 0.00 0.00 174.74 170.86 1dvd s LEU 97 N -3.29 2.36 -0.27 0.89 2.96 0.95 -1.64 118.68 120.64 1dvd s LEU 97 Ca 0.67 -0.76 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 1dvd s LEU 97 Cb -0.27 -0.62 0.11 0.00 0.50 0.00 0.00 46.19 45.90 1dvd s LEU 97 CO 0.32 -0.09 0.19 -0.75 -1.32 0.00 0.00 176.35 174.71 1dvd s LYS 98 N -2.37 0.22 0.27 1.98 2.20 -0.46 -1.29 119.74 120.29 1dvd s LYS 98 Ca 0.07 -0.26 0.09 0.00 -0.36 0.00 0.00 55.97 55.52 1dvd s LYS 98 Cb -0.07 -1.06 -0.04 0.00 -1.51 0.00 0.00 37.83 35.15 1dvd s LYS 98 CO 0.03 -0.94 0.01 0.08 -0.36 0.00 0.00 175.35 174.17 1dvd s VAL 99 N 2.22 3.42 -0.04 4.02 1.01 -0.97 0.23 120.40 130.29 1dvd s VAL 99 Ca 0.08 -1.90 0.07 0.00 0.00 0.00 0.00 61.98 60.23 1dvd s VAL 99 Cb -0.15 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1dvd s VAL 99 CO -0.30 -0.36 -0.25 0.12 0.00 0.00 0.00 175.10 174.31 1dvd s PHE 100 N -2.33 2.33 -0.08 5.22 5.36 -0.64 0.86 117.98 128.70 1dvd s PHE 100 Ca 0.32 -0.56 0.01 0.00 -0.96 0.00 0.00 56.93 55.74 1dvd s PHE 100 Cb -0.06 -1.52 -0.03 0.00 -0.34 0.00 0.00 43.02 41.07 1dvd s PHE 100 CO 0.20 -0.12 -0.08 0.21 -1.46 0.00 0.00 175.22 173.98 1dvd s LYS 101 N -0.40 2.84 -0.68 10.12 2.47 -1.01 -2.04 119.74 131.04 1dvd s LYS 101 Ca 0.04 -0.57 -0.11 0.00 -1.56 0.00 0.00 55.97 53.77 1dvd s LYS 101 Cb -0.12 -2.60 0.18 0.00 -1.46 0.00 0.00 37.83 33.83 1dvd s LYS 101 CO 0.01 0.60 0.59 -1.54 0.16 0.00 0.00 175.35 175.17 1dvd s SER 102 N -0.63 6.20 0.23 1.43 1.04 -1.26 -3.56 113.70 117.16 1dvd s SER 102 Ca 0.09 -2.45 -0.13 0.00 0.48 0.00 0.00 55.95 53.94 1dvd s SER 102 Cb -0.11 -2.11 0.29 0.00 0.10 0.00 0.00 66.02 64.19 1dvd s SER 102 CO 0.02 -0.60 1.45 0.18 0.98 0.00 0.00 173.24 175.26 1dvd n LEU 102 N 4.24 -0.51 0.00 2.42 4.32 -1.26 -4.46 117.00 121.75 1dvd n LEU 102 Ca 0.04 1.62 -0.09 0.00 -0.02 0.00 0.00 56.01 57.56 1dvd n LEU 102 Cb 0.43 -0.41 0.07 0.00 -1.62 0.00 0.00 43.42 41.89 1dvd n LEU 102 CO 0.38 -1.48 0.26 -0.81 -1.22 0.00 0.00 177.39 174.52 1dvd n PRO 103 N -5.42 -0.60 -0.14 3.23 -0.04 -1.26 -4.99 135.00 125.77 1dvd n PRO 103 Ca 0.11 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 1dvd n PRO 103 Cb 0.40 -0.44 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 1dvd n PRO 103 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dvd n GLY 104 N 1.96 -1.57 0.00 0.55 0.00 -1.26 -4.92 105.19 99.95 1dvd n GLY 104 Ca 0.05 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1dvd n GLY 104 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1dvd n GLN 105 N 0.97 0.00 -1.65 1.61 -0.06 -1.26 -4.48 117.38 112.52 1dvd n GLN 105 Ca 0.00 0.00 -0.55 0.00 -2.00 0.00 0.00 57.00 54.45 1dvd n GLN 105 Cb 0.00 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.11 1dvd n GLN 105 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 1dvd n ASN 105 N 0.00 1.89 -4.48 1.69 6.94 -1.26 -4.84 115.26 115.20 1dvd n ASN 105 Ca 0.00 1.10 -0.36 0.00 -0.02 0.00 0.00 54.58 55.30 1dvd n ASN 105 Cb 0.00 -1.14 0.07 0.00 -2.36 0.00 0.00 39.78 36.34 1dvd n ASN 105 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1dvd n GLU 106 N 3.81 0.37 -2.94 -3.83 0.28 -1.26 -4.95 120.64 112.12 1dvd n GLU 106 Ca 0.23 0.17 -0.13 0.00 -0.16 0.00 0.00 57.16 57.26 1dvd n GLU 106 Cb 0.15 -1.86 0.03 0.00 1.43 0.00 0.00 31.44 31.19 1dvd n GLU 106 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1dvd n ASP 107 N -0.32 -0.86 -3.18 -1.84 9.92 -1.26 -5.13 116.55 113.87 1dvd n ASP 107 Ca 0.11 -3.37 -0.25 0.00 -0.53 0.00 0.00 54.79 50.75 1dvd n ASP 107 Cb 0.49 0.74 0.24 0.00 -0.64 0.00 0.00 41.12 41.95 1dvd n ASP 107 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1dvd n LEU 108 N 0.31 0.00 -3.74 0.64 4.32 -1.26 -4.68 117.00 112.59 1dvd n LEU 108 Ca 0.15 -0.72 -0.10 0.00 -0.02 0.00 0.00 56.01 55.32 1dvd n LEU 108 Cb 0.68 -0.80 -0.05 0.00 -1.62 0.00 0.00 43.42 41.64 1dvd n LEU 108 CO 0.12 -2.56 0.19 0.54 -1.22 0.00 0.00 177.39 174.46 1dvd s VAL 109 N -1.91 0.05 -1.00 4.08 0.11 -0.87 -4.90 120.40 115.95 1dvd s VAL 109 Ca 0.54 -0.81 -0.11 0.00 -2.93 0.00 0.00 61.98 58.67 1dvd s VAL 109 Cb -0.09 -1.48 0.25 0.00 -1.53 0.00 0.00 36.38 33.53 1dvd s VAL 109 CO 0.45 -0.22 0.99 -0.22 -3.33 0.00 0.00 175.10 172.77 1dvd s LEU 110 N -2.86 6.46 0.33 2.54 2.96 -1.26 -1.63 118.68 125.21 1dvd s LEU 110 Ca 0.08 -3.22 0.26 0.00 -0.22 0.00 0.00 54.13 51.03 1dvd s LEU 110 Cb 0.01 -2.22 1.10 0.00 0.50 0.00 0.00 46.19 45.58 1dvd s LEU 110 CO -0.06 -0.42 1.77 0.71 -1.32 0.00 0.00 176.35 177.04 1dvd h THR 111 N 4.14 0.00 0.00 3.68 1.35 0.26 -3.47 112.91 118.87 1dvd h THR 111 Ca 0.16 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1dvd h THR 111 Cb 0.94 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1dvd h THR 111 CO 0.92 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.80 1dvd n GLY 112 N -0.12 -1.10 0.00 5.82 0.00 0.70 -4.93 105.19 105.57 1dvd n GLY 112 Ca 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1dvd n GLY 112 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1dvd n TYR 113 N 2.39 0.00 -3.27 1.61 0.18 -1.26 -1.36 117.16 115.45 1dvd n TYR 113 Ca 0.00 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 59.33 1dvd n TYR 113 Cb 0.00 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.90 1dvd n TYR 113 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1dvd s GLN 114 N -0.75 3.02 0.76 -3.48 -1.52 -0.65 -4.86 119.66 112.17 1dvd s GLN 114 Ca 0.00 -1.38 -0.12 0.00 -1.95 0.00 0.00 55.36 51.91 1dvd s GLN 114 Cb 0.00 -4.20 0.06 0.00 -0.22 0.00 0.00 33.01 28.64 1dvd s GLN 114 CO 0.00 -1.25 1.11 0.54 -0.25 0.00 0.00 175.29 175.44 1dvd s VAL 115 N 1.99 3.06 -0.56 1.09 0.11 -1.26 -1.39 120.40 123.44 1dvd s VAL 115 Ca 0.07 0.39 0.00 0.00 -2.93 0.00 0.00 61.98 59.51 1dvd s VAL 115 Cb -0.25 -2.82 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 1dvd s VAL 115 CO 0.06 -0.41 0.00 -0.67 -3.33 0.00 0.00 175.10 170.75 1dvd n ASP 115 N -3.32 -2.30 -4.70 3.54 2.03 -1.24 -4.89 116.55 105.67 1dvd n ASP 115 Ca 0.10 0.31 -0.35 0.00 0.52 0.00 0.00 54.79 55.37 1dvd n ASP 115 Cb 0.52 -2.10 -0.09 0.00 -0.72 0.00 0.00 41.12 38.74 1dvd n ASP 115 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1dvd s LYS 116 N -4.51 4.13 0.00 -0.67 -0.14 -1.14 -4.90 119.74 112.50 1dvd s LYS 116 Ca 0.00 -0.26 0.00 0.00 -1.36 0.00 0.00 55.97 54.35 1dvd s LYS 116 Cb 0.00 -3.37 0.00 0.00 -1.68 0.00 0.00 37.83 32.78 1dvd s LYS 116 CO 0.00 0.28 0.00 0.09 -0.76 0.00 0.00 175.35 174.96 1dvd n ASN 117 N 3.56 0.39 -0.16 2.83 5.03 -1.26 -3.41 115.26 122.24 1dvd n ASN 117 Ca -0.16 0.00 -0.06 0.00 0.87 0.00 0.00 54.58 55.23 1dvd n ASN 117 Cb 0.52 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.31 1dvd n ASN 117 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 1dvd h LYS 118 N 0.00 0.57 -0.37 3.52 3.64 -1.98 -1.16 116.57 120.80 1dvd h LYS 118 Ca 0.00 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.45 1dvd h LYS 118 Cb 0.00 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1dvd h LYS 118 CO 0.00 0.38 0.72 0.38 -2.27 0.00 0.00 179.45 178.66 1dvd h ASP 119 N 0.59 0.00 -3.42 4.20 3.04 -2.02 -3.37 116.42 115.44 1dvd h ASP 119 Ca 0.20 0.00 -0.60 0.00 -3.24 0.00 0.00 57.03 53.39 1dvd h ASP 119 Cb 0.02 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 38.21 1dvd h ASP 119 CO -0.09 0.00 0.15 -0.62 -2.04 0.00 0.00 179.24 176.64 1dvd s ASP 120 N -4.13 6.67 -0.12 4.15 2.15 -0.44 -5.04 116.67 119.92 1dvd s ASP 120 Ca -0.03 0.82 -0.14 0.00 0.43 0.00 0.00 52.55 53.63 1dvd s ASP 120 Cb 0.10 -2.35 -0.05 0.00 -0.30 0.00 0.00 42.92 40.32 1dvd s ASP 120 CO 0.34 -0.31 0.34 -0.70 -0.17 0.00 0.00 175.17 174.67 1dvd s GLU 121 N 2.09 4.15 0.07 4.34 2.12 -1.26 -4.87 118.70 125.33 1dvd s GLU 121 Ca 0.29 0.21 -0.31 0.00 0.36 0.00 0.00 54.97 55.52 1dvd s GLU 121 Cb -0.16 -3.37 -0.18 0.00 0.26 0.00 0.00 34.13 30.68 1dvd s GLU 121 CO 0.10 0.35 1.59 -0.07 -0.54 0.00 0.00 175.26 176.69 1dvd h LEU 122 N 6.16 -0.66 0.00 2.70 4.07 -1.94 -3.47 115.31 122.17 1dvd h LEU 122 Ca -0.44 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.53 1dvd h LEU 122 Cb 1.18 0.17 0.00 0.00 1.08 0.00 0.00 40.66 43.09 1dvd h LEU 122 CO 0.71 -0.45 0.00 0.35 -1.08 0.00 0.00 178.44 177.98 1dvd n THR 123 N -5.41 0.00 0.17 0.22 -2.24 -1.26 -2.17 114.28 103.59 1dvd n THR 123 Ca -0.13 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.71 1dvd n THR 123 Cb 0.33 0.00 0.32 0.00 -2.10 0.00 0.00 70.33 68.88 1dvd n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dvd n GLY 124 N 0.00 -0.58 0.00 3.38 0.00 -1.26 -5.01 105.19 101.72 1dvd n GLY 124 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1dvd n GLY 124 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65