#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvd n ILE 7 N 0.00 -8.34 0.08 3.17 -0.00 -1.26 -4.89 119.36 108.12 1dvd n ILE 7 Ca 0.00 1.45 -0.09 0.00 -0.00 0.00 0.00 62.75 64.10 1dvd n ILE 7 Cb 0.00 -5.37 -0.08 0.00 -0.00 0.00 0.00 39.64 34.20 1dvd n ILE 7 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 1dvd h PRO 8 N 3.55 0.12 -5.35 0.38 0.13 -2.04 -3.49 132.00 125.29 1dvd h PRO 8 Ca -0.08 -0.17 0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1dvd h PRO 8 Cb 0.48 0.06 -0.09 0.00 0.13 0.00 0.00 31.00 31.57 1dvd h PRO 8 CO 0.05 1.02 -1.15 0.41 -0.23 0.00 0.00 178.00 178.09 1dvd n GLY 9 N 1.20 -3.76 0.00 1.56 0.00 -1.26 -5.02 105.19 97.91 1dvd n GLY 9 Ca -0.03 1.29 0.00 0.00 0.00 0.00 0.00 46.02 47.28 1dvd n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dvd n GLY 10 N 1.92 3.95 3.55 -0.02 0.00 -1.26 -5.06 105.19 108.27 1dvd n GLY 10 Ca -0.30 -0.72 -0.59 0.00 0.00 0.00 0.00 46.02 44.41 1dvd n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dvd n LEU 11 N 0.00 0.42 -4.97 0.99 4.77 -1.26 -4.94 117.00 112.01 1dvd n LEU 11 Ca 0.00 1.16 -0.18 0.00 -0.03 0.00 0.00 56.01 56.95 1dvd n LEU 11 Cb 0.00 -0.96 -0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1dvd n LEU 11 CO 0.00 -1.63 0.08 -0.55 -1.33 0.00 0.00 177.39 173.96 1dvd s SER 12 N 0.48 5.66 0.88 -1.43 0.15 -1.26 -5.07 113.70 113.11 1dvd s SER 12 Ca 0.92 -0.39 -0.09 0.00 0.70 0.00 0.00 55.95 57.08 1dvd s SER 12 Cb -1.24 -0.87 0.15 0.00 -1.71 0.00 0.00 66.02 62.35 1dvd s SER 12 CO 0.58 -0.60 0.33 1.21 1.20 0.00 0.00 173.24 175.97 1dvd n GLU 13 N -1.70 -1.23 -2.36 5.44 0.00 -1.26 -4.72 120.64 114.82 1dvd n GLU 13 Ca 0.04 -0.56 -0.39 0.00 0.00 0.00 0.00 57.16 56.25 1dvd n GLU 13 Cb 0.59 -1.07 -0.03 0.00 0.00 0.00 0.00 31.44 30.93 1dvd n GLU 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1dvd s ALA 14 N -2.04 2.50 0.02 4.31 0.00 -1.26 -4.73 121.76 120.56 1dvd s ALA 14 Ca 0.26 -1.22 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 1dvd s ALA 14 Cb -0.05 -4.31 -0.05 0.00 0.00 0.00 0.00 23.12 18.71 1dvd s ALA 14 CO 0.22 -3.60 1.30 0.15 0.00 0.00 0.00 175.76 173.83 1dvd s LYS 15 N 6.17 4.34 0.06 0.00 -0.14 -0.52 -4.72 119.74 124.93 1dvd s LYS 15 Ca 0.48 1.87 -0.31 0.00 -1.36 0.00 0.00 55.97 56.66 1dvd s LYS 15 Cb -0.09 -3.45 -0.08 0.00 -1.68 0.00 0.00 37.83 32.53 1dvd s LYS 15 CO 0.14 -0.44 1.67 -1.25 -0.76 0.00 0.00 175.35 174.71 1dvd s PRO 16 N 1.78 4.19 0.01 -1.68 0.04 -1.26 0.38 135.00 138.46 1dvd s PRO 16 Ca 0.61 2.33 -0.38 0.00 0.04 0.00 0.00 61.00 63.60 1dvd s PRO 16 Cb -0.30 -3.66 -0.18 0.00 0.04 0.00 0.00 34.50 30.40 1dvd s PRO 16 CO 0.27 -0.76 1.31 0.00 0.04 0.00 0.00 177.00 177.86 1dvd n ALA 17 N 5.82 -1.71 -3.07 8.56 0.00 -0.38 -4.79 120.51 124.94 1dvd n ALA 17 Ca 0.16 0.53 -0.05 0.00 0.00 0.00 0.00 53.44 54.08 1dvd n ALA 17 Cb 0.41 -1.99 0.01 0.00 0.00 0.00 0.00 19.45 17.88 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 2.46 0.00 0.31 0.00 -2.24 -1.26 -4.80 114.28 108.75 1dvd n THR 18 Ca 0.20 -0.38 0.16 0.00 -2.27 0.00 0.00 64.05 61.76 1dvd n THR 18 Cb 0.14 -0.85 0.67 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.16 -0.78 0.13 -1.97 -1.18 132.00 128.35 1dvd h PRO 19 Ca -0.05 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.85 1dvd h PRO 19 Cb 0.24 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.40 1dvd h PRO 19 CO 0.08 0.00 -0.98 0.93 -0.23 0.00 0.00 178.00 177.80 1dvd h GLU 20 N 0.00 0.38 -0.20 0.86 5.08 -1.98 -1.67 114.58 117.04 1dvd h GLU 20 Ca 0.00 -0.62 -0.01 0.00 -1.00 0.00 0.00 59.36 57.73 1dvd h GLU 20 Cb 0.41 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1dvd h GLU 20 CO 0.00 1.29 0.08 0.82 -1.00 0.00 0.00 179.01 180.20 1dvd h ILE 21 N -0.21 1.17 -0.05 3.13 5.03 -1.83 0.13 117.51 124.87 1dvd h ILE 21 Ca -0.17 -0.51 0.01 0.00 -0.12 0.00 0.00 64.86 64.08 1dvd h ILE 21 Cb 1.77 1.13 -0.00 0.00 -3.03 0.00 0.00 36.82 36.68 1dvd h ILE 21 CO 0.18 0.16 0.10 -0.61 -0.68 0.00 0.00 178.15 177.30 1dvd h GLN 22 N 0.17 0.00 0.06 2.37 -0.00 -1.29 -1.22 115.11 115.20 1dvd h GLN 22 Ca 0.07 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.45 1dvd h GLN 22 Cb 0.18 0.00 0.02 0.00 0.00 0.00 0.00 27.48 27.69 1dvd h GLN 22 CO -0.01 0.00 -1.08 1.49 0.00 0.00 0.00 178.83 179.23 1dvd h GLU 23 N 0.00 0.63 0.01 1.69 4.81 0.21 -0.43 114.58 121.49 1dvd h GLU 23 Ca 0.02 -0.76 -0.00 0.00 -0.13 0.00 0.00 59.36 58.50 1dvd h GLU 23 Cb 0.22 0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1dvd h GLU 23 CO -0.00 1.33 -0.00 0.82 -0.73 0.00 0.00 179.01 180.43 1dvd h ILE 24 N 0.27 1.04 -0.62 2.32 2.04 -0.08 1.11 117.51 123.59 1dvd h ILE 24 Ca -0.15 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1dvd h ILE 24 Cb 1.76 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.96 1dvd h ILE 24 CO 0.21 0.04 0.19 1.62 0.00 0.00 0.00 178.15 180.20 1dvd h VAL 25 N -0.07 1.25 0.00 1.67 3.04 -1.54 0.19 116.25 120.79 1dvd h VAL 25 Ca -0.00 -0.86 0.00 0.00 -1.01 0.00 0.00 66.70 64.83 1dvd h VAL 25 Cb 0.07 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 29.97 1dvd h VAL 25 CO 0.00 0.33 0.00 -0.67 -1.01 0.00 0.00 177.57 176.22 1dvd n ASP 26 N -4.37 0.39 0.00 3.17 -0.08 -0.17 0.09 116.55 115.58 1dvd n ASP 26 Ca 0.04 0.58 0.11 0.00 -1.51 0.00 0.00 54.79 54.00 1dvd n ASP 26 Cb 0.22 -0.67 0.00 0.00 2.34 0.00 0.00 41.12 43.01 1dvd n ASP 26 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1dvd n LYS 27 N -1.91 0.01 0.00 -0.67 5.02 0.38 -4.23 118.16 116.76 1dvd n LYS 27 Ca 0.04 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1dvd n LYS 27 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1dvd n LYS 27 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1dvd n VAL 28 N -1.51 0.00 -0.26 -0.18 0.24 0.43 -4.71 118.33 112.34 1dvd n VAL 28 Ca 0.04 -0.48 0.08 0.00 -2.04 0.00 0.00 64.34 61.94 1dvd n VAL 28 Cb 0.33 1.02 0.21 0.00 -1.47 0.00 0.00 33.84 33.93 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 0.00 0.26 0.00 7.34 3.64 -0.52 0.71 116.57 128.01 1dvd h LYS 29 Ca 0.00 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1dvd h LYS 29 Cb 0.01 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1dvd h LYS 29 CO 0.00 0.17 -0.55 -1.00 -2.27 0.00 0.00 179.45 175.81 1dvd h PRO 30 N 0.27 0.00 -0.00 1.90 0.13 -1.86 -2.00 132.00 130.45 1dvd h PRO 30 Ca 0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.58 1dvd h PRO 30 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1dvd h PRO 30 CO -0.54 0.55 -0.07 1.04 -0.23 0.00 0.00 178.00 178.75 1dvd n GLN 31 N -3.74 0.28 -0.08 0.86 6.02 0.14 -3.00 117.38 117.86 1dvd n GLN 31 Ca -0.01 -0.04 -0.21 0.00 -0.01 0.00 0.00 57.00 56.73 1dvd n GLN 31 Cb 0.58 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.22 1dvd n GLN 31 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1dvd h LEU 32 N 0.11 0.06 -2.07 1.08 3.38 0.89 -2.94 115.31 115.82 1dvd h LEU 32 Ca 0.00 -0.64 -0.02 0.00 0.09 0.00 0.00 57.88 57.31 1dvd h LEU 32 Cb 0.40 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1dvd h LEU 32 CO 0.00 1.46 -0.09 -0.08 0.09 0.00 0.00 178.44 179.82 1dvd h GLU 33 N -0.87 0.00 0.00 1.13 4.22 -1.50 0.17 114.58 117.74 1dvd h GLU 33 Ca -0.30 0.00 -0.23 0.00 0.08 0.00 0.00 59.36 58.91 1dvd h GLU 33 Cb 1.35 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 1dvd h GLU 33 CO -0.14 0.09 -1.46 1.49 -2.18 0.00 0.00 179.01 176.81 1dvd h GLU 34 N 0.00 0.00 -0.23 1.92 4.81 -1.67 -2.67 114.58 116.75 1dvd h GLU 34 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1dvd h GLU 34 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1dvd h GLU 34 CO 0.01 0.46 0.00 1.63 -0.73 0.00 0.00 179.01 180.39 1dvd n LYS 35 N -3.03 2.43 0.00 1.92 4.76 -0.90 -4.25 118.16 119.10 1dvd n LYS 35 Ca -0.11 -2.13 0.00 0.00 -2.87 0.00 0.00 58.31 53.19 1dvd n LYS 35 Cb 0.94 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.64 1dvd n LYS 35 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1dvd n THR 36 N 1.43 0.00 -4.42 -0.18 5.66 0.54 -5.01 114.28 112.30 1dvd n THR 36 Ca 0.17 -0.29 -0.37 0.00 -3.05 0.00 0.00 64.05 60.51 1dvd n THR 36 Cb 0.60 1.23 -0.09 0.00 -1.55 0.00 0.00 70.33 70.52 1dvd n THR 36 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1dvd n ASN 37 N -0.26 -0.38 -4.14 1.09 6.94 -1.00 -4.90 115.26 112.60 1dvd n ASN 37 Ca 0.00 -1.26 -0.09 0.00 -0.02 0.00 0.00 54.58 53.21 1dvd n ASN 37 Cb 0.06 -1.62 -0.10 0.00 -2.36 0.00 0.00 39.78 35.76 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 -7.31 0.78 -0.27 -3.83 2.56 -1.26 -5.09 118.70 104.28 1dvd s GLU 38 Ca 0.39 -1.32 -0.22 0.00 0.00 0.00 0.00 54.97 53.82 1dvd s GLU 38 Cb -0.23 0.03 -0.01 0.00 2.00 0.00 0.00 34.13 35.92 1dvd s GLU 38 CO 1.01 -0.11 0.70 0.99 -0.56 0.00 0.00 175.26 177.30 1dvd s THR 39 N -3.82 4.91 0.00 -1.70 2.01 -1.26 -4.66 115.64 111.12 1dvd s THR 39 Ca 0.13 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.33 1dvd s THR 39 Cb 0.07 -4.02 0.00 0.00 0.01 0.00 0.00 72.50 68.56 1dvd s THR 39 CO -0.05 -0.07 0.00 -1.22 -0.69 0.00 0.00 174.62 172.59 1dvd n TYR 40 N 5.89 -0.84 -3.42 4.92 4.01 -1.26 -5.13 117.16 121.32 1dvd n TYR 40 Ca 0.02 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.73 1dvd n TYR 40 Cb 0.48 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.51 1dvd n TYR 40 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dvd n GLY 43 N 5.00 2.42 3.51 2.72 0.00 -1.26 -5.02 105.19 112.56 1dvd n GLY 43 Ca 0.00 -1.25 -0.50 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.11 0.60 -3.15 1.61 5.02 -1.26 -4.41 118.16 116.46 1dvd n LYS 44 Ca -0.01 0.21 -0.37 0.00 -2.02 0.00 0.00 58.31 56.13 1dvd n LYS 44 Cb 0.11 -1.55 -0.02 0.00 -0.02 0.00 0.00 35.03 33.54 1dvd n LYS 44 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1dvd n LEU 45 N 1.82 5.45 -4.55 -0.35 4.77 -1.23 -0.55 117.00 122.37 1dvd n LEU 45 Ca 0.16 -5.31 -0.13 0.00 -0.03 0.00 0.00 56.01 50.70 1dvd n LEU 45 Cb 0.22 -1.04 -0.09 0.00 -2.33 0.00 0.00 43.42 40.18 1dvd n LEU 45 CO 0.59 1.85 1.22 -0.62 -1.33 0.00 0.00 177.39 179.10 1dvd n GLU 46 N 1.10 0.38 -1.38 3.23 1.02 -0.56 -4.43 120.64 119.99 1dvd n GLU 46 Ca 0.28 -1.02 -0.45 0.00 -0.02 0.00 0.00 57.16 55.95 1dvd n GLU 46 Cb 0.36 -3.53 -0.02 0.00 -0.02 0.00 0.00 31.44 28.23 1dvd n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dvd n ALA 47 N 17.93 -2.67 0.00 0.62 0.00 -1.26 -1.44 120.51 133.69 1dvd n ALA 47 Ca 0.45 0.31 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1dvd n ALA 47 Cb 0.42 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -0.39 0.00 -4.20 0.00 0.31 0.14 -4.71 118.33 109.47 1dvd n VAL 48 Ca 0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.35 1dvd n VAL 48 Cb 0.31 -0.40 -0.10 0.00 -0.91 0.00 0.00 33.84 32.75 1dvd n VAL 48 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1dvd s GLN 49 N -1.75 1.29 -0.27 5.55 0.74 -1.00 -1.25 119.66 122.98 1dvd s GLN 49 Ca 0.00 -1.67 -0.26 0.00 0.05 0.00 0.00 55.36 53.48 1dvd s GLN 49 Cb 0.00 0.29 0.14 0.00 1.10 0.00 0.00 33.01 34.53 1dvd s GLN 49 CO 0.00 -0.44 1.11 1.52 -0.55 0.00 0.00 175.29 176.93 1dvd s TYR 50 N -4.05 -0.38 -0.06 1.67 -0.85 0.16 -1.11 117.35 112.73 1dvd s TYR 50 Ca 0.39 0.89 0.06 0.00 -0.52 0.00 0.00 57.07 57.89 1dvd s TYR 50 Cb 0.06 0.40 -0.01 0.00 0.38 0.00 0.00 41.96 42.79 1dvd s TYR 50 CO 0.14 -0.20 -0.24 0.15 -1.52 0.00 0.00 175.55 173.87 1dvd s LYS 51 N 0.00 2.53 0.41 -3.49 1.02 0.55 -1.44 119.74 119.32 1dvd s LYS 51 Ca 0.03 -0.88 -0.06 0.00 0.02 0.00 0.00 55.97 55.09 1dvd s LYS 51 Cb -0.04 -2.13 0.09 0.00 -0.52 0.00 0.00 37.83 35.23 1dvd s LYS 51 CO -0.07 0.35 0.55 0.25 -0.92 0.00 0.00 175.35 175.52 1dvd n THR 52 N 3.01 0.00 -3.56 2.17 -2.24 -1.26 0.70 114.28 113.10 1dvd n THR 52 Ca -0.18 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 60.98 1dvd n THR 52 Cb 0.52 -1.64 -0.06 0.00 -2.10 0.00 0.00 70.33 67.05 1dvd n THR 52 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1dvd s GLN 53 N -4.12 0.77 -0.05 -0.78 -1.52 -1.24 -4.68 119.66 108.03 1dvd s GLN 53 Ca 0.32 0.26 0.05 0.00 -1.95 0.00 0.00 55.36 54.05 1dvd s GLN 53 Cb -0.01 0.36 -0.01 0.00 -0.22 0.00 0.00 33.01 33.14 1dvd s GLN 53 CO 0.22 -0.22 -0.21 0.54 -0.25 0.00 0.00 175.29 175.37 1dvd s VAL 54 N -0.96 1.72 0.00 1.09 0.11 -1.26 -2.04 120.40 119.05 1dvd s VAL 54 Ca -0.05 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 1dvd s VAL 54 Cb -0.01 -1.47 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 1dvd s VAL 54 CO 0.04 0.49 0.00 1.33 -3.33 0.00 0.00 175.10 173.63 1dvd n VAL 55 N 3.13 0.00 -1.20 2.04 0.24 -1.26 -4.93 118.33 116.34 1dvd n VAL 55 Ca -0.18 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 61.91 1dvd n VAL 55 Cb 0.52 0.00 0.20 0.00 -1.47 0.00 0.00 33.84 33.10 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 5.45 0.00 2.33 0.00 -1.26 -4.87 120.51 119.15 1dvd n ALA 56 Ca 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 53.44 50.63 1dvd n ALA 56 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 -0.98 -1.00 3.41 0.00 0.00 -1.26 -4.76 105.19 100.59 1dvd n GLY 57 Ca 0.57 0.36 0.02 0.00 0.00 0.00 0.00 46.02 46.97 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 -0.59 0.00 2.61 2.01 -1.24 -4.65 115.64 113.78 1dvd s THR 58 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1dvd s THR 58 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1dvd s THR 58 CO 0.00 0.00 0.00 0.59 -0.69 0.00 0.00 174.62 174.52 1dvd n ASN 59 N 5.11 -0.05 -3.80 3.53 3.02 -0.87 -2.06 115.26 120.13 1dvd n ASN 59 Ca -0.09 -0.54 -0.10 0.00 -0.03 0.00 0.00 54.58 53.82 1dvd n ASN 59 Cb 0.52 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.62 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 -0.56 0.03 -0.01 3.10 1.51 0.22 -3.68 117.35 117.97 1dvd s TYR 60 Ca 0.00 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1dvd s TYR 60 Cb 0.00 0.02 0.01 0.00 -0.11 0.00 0.00 41.96 41.88 1dvd s TYR 60 CO 0.00 -0.53 0.00 0.71 -1.11 0.00 0.00 175.55 174.63 1dvd s TYR 61 N -3.25 0.05 -0.23 2.71 2.02 0.22 -2.18 117.35 116.68 1dvd s TYR 61 Ca 0.00 0.02 -0.11 0.00 -0.37 0.00 0.00 57.07 56.61 1dvd s TYR 61 Cb 0.02 -0.08 0.08 0.00 -0.40 0.00 0.00 41.96 41.58 1dvd s TYR 61 CO -0.08 -0.02 0.55 0.42 -1.57 0.00 0.00 175.55 174.84 1dvd s ILE 62 N 0.25 -0.30 -0.72 2.71 1.01 -0.03 -0.33 121.20 123.79 1dvd s ILE 62 Ca -0.02 0.06 -0.16 0.00 0.00 0.00 0.00 60.65 60.53 1dvd s ILE 62 Cb -0.03 -0.82 0.16 0.00 0.01 0.00 0.00 42.46 41.78 1dvd s ILE 62 CO -0.01 0.03 0.74 -0.75 0.00 0.00 0.00 174.94 174.95 1dvd s LYS 63 N 1.96 3.34 -0.04 2.79 2.47 -0.27 -0.76 119.74 129.23 1dvd s LYS 63 Ca -0.08 -1.95 -0.03 0.00 -1.56 0.00 0.00 55.97 52.36 1dvd s LYS 63 Cb -0.09 -4.43 -0.04 0.00 -1.46 0.00 0.00 37.83 31.82 1dvd s LYS 63 CO -0.16 -1.42 0.11 0.14 0.16 0.00 0.00 175.35 174.18 1dvd s VAL 64 N 1.38 5.05 0.04 4.02 -7.23 -1.03 -0.69 120.40 121.94 1dvd s VAL 64 Ca 0.15 -0.18 -0.30 0.00 -1.81 0.00 0.00 61.98 59.84 1dvd s VAL 64 Cb -0.17 -3.27 -0.07 0.00 0.56 0.00 0.00 36.38 33.43 1dvd s VAL 64 CO -0.03 0.44 1.51 -0.13 -0.31 0.00 0.00 175.10 176.58 1dvd s ARG 65 N -1.52 4.25 -0.15 4.82 0.52 -0.52 -0.99 118.95 125.36 1dvd s ARG 65 Ca 0.21 2.13 -0.03 0.00 -0.52 0.00 0.00 55.73 57.52 1dvd s ARG 65 Cb -0.12 -3.57 -0.06 0.00 0.52 0.00 0.00 34.95 31.72 1dvd s ARG 65 CO 0.11 -0.64 2.83 0.00 0.02 0.00 0.00 175.30 177.62 1dvd n ALA 66 N 5.40 5.68 0.00 2.13 0.00 -0.43 -1.49 120.51 131.79 1dvd n ALA 66 Ca 0.14 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1dvd n ALA 66 Cb 0.42 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 1.58 1.19 0.00 0.00 0.00 0.29 -4.06 105.19 104.18 1dvd n GLY 67 Ca 0.33 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 2.53 0.00 0.00 1.61 5.75 -1.26 -4.69 116.55 120.50 1dvd n ASP 68 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.92 1dvd n ASP 68 Cb 0.00 0.00 0.77 0.00 -1.03 0.00 0.00 41.12 40.86 1dvd n ASP 68 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1dvd n ASN 92 N 0.00 0.00 -4.68 -1.12 4.13 -1.26 -4.83 115.26 107.50 1dvd n ASN 92 Ca 0.00 -0.59 -0.29 0.00 1.68 0.00 0.00 54.58 55.39 1dvd n ASN 92 Cb 0.00 -0.11 0.17 0.00 -1.54 0.00 0.00 39.78 38.31 1dvd n ASN 92 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1dvd s LYS 93 N -2.21 0.52 0.14 3.52 -0.14 -1.26 -4.89 119.74 115.41 1dvd s LYS 93 Ca 0.36 0.55 -0.03 0.00 -1.36 0.00 0.00 55.97 55.49 1dvd s LYS 93 Cb 0.19 -1.74 -0.03 0.00 -1.68 0.00 0.00 37.83 34.56 1dvd s LYS 93 CO 0.35 -2.68 0.12 0.71 -0.76 0.00 0.00 175.35 173.10 1dvd s TYR 94 N -2.96 0.73 -0.22 3.18 2.02 -1.26 -1.32 117.35 117.52 1dvd s TYR 94 Ca 0.65 -1.10 -0.05 0.00 -0.37 0.00 0.00 57.07 56.19 1dvd s TYR 94 Cb -0.18 -0.36 0.11 0.00 -0.40 0.00 0.00 41.96 41.13 1dvd s TYR 94 CO 0.57 -0.58 0.43 1.41 -1.57 0.00 0.00 175.55 175.82 1dvd s MET 95 N -4.03 0.35 0.36 -0.62 1.75 -0.16 -3.08 119.30 113.88 1dvd s MET 95 Ca 0.22 0.91 -0.26 0.00 -1.25 0.00 0.00 55.69 55.31 1dvd s MET 95 Cb 0.06 0.13 -0.09 0.00 2.84 0.00 0.00 34.83 37.78 1dvd s MET 95 CO 0.01 -0.38 1.09 -1.01 -0.65 0.00 0.00 175.02 174.08 1dvd s HIS 96 N 2.62 3.33 -0.10 4.11 3.76 -0.26 -2.46 115.29 126.29 1dvd s HIS 96 Ca 0.04 1.65 -0.05 0.00 -0.15 0.00 0.00 55.06 56.54 1dvd s HIS 96 Cb -0.13 -3.23 0.05 0.00 1.11 0.00 0.00 32.58 30.37 1dvd s HIS 96 CO -0.14 -0.74 0.24 -1.17 -0.85 0.00 0.00 174.74 172.08 1dvd s LEU 97 N -2.21 0.45 -0.12 0.89 2.96 0.06 0.03 118.68 120.74 1dvd s LEU 97 Ca 0.53 0.50 0.01 0.00 -0.22 0.00 0.00 54.13 54.96 1dvd s LEU 97 Cb -0.27 0.71 -0.01 0.00 0.50 0.00 0.00 46.19 47.11 1dvd s LEU 97 CO 0.34 -0.16 -0.15 -1.59 -1.32 0.00 0.00 176.35 173.47 1dvd s LYS 98 N 1.24 3.26 0.37 1.98 -2.85 -0.67 -0.85 119.74 122.22 1dvd s LYS 98 Ca -0.09 -0.72 0.08 0.00 -1.00 0.00 0.00 55.97 54.24 1dvd s LYS 98 Cb -0.10 -2.55 -0.06 0.00 -2.06 0.00 0.00 37.83 33.06 1dvd s LYS 98 CO -0.08 0.24 0.03 0.08 0.10 0.00 0.00 175.35 175.71 1dvd s VAL 99 N 0.27 2.35 -0.08 1.79 1.01 -0.93 0.28 120.40 125.10 1dvd s VAL 99 Ca -0.11 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 59.91 1dvd s VAL 99 Cb -0.16 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.38 1dvd s VAL 99 CO 0.06 -0.11 -0.05 0.12 0.00 0.00 0.00 175.10 175.11 1dvd s PHE 100 N -2.59 1.08 -0.20 5.22 5.36 -0.35 0.71 117.98 127.21 1dvd s PHE 100 Ca 0.36 -0.43 -0.14 0.00 -0.96 0.00 0.00 56.93 55.76 1dvd s PHE 100 Cb 0.03 -0.96 -0.04 0.00 -0.34 0.00 0.00 43.02 41.71 1dvd s PHE 100 CO 0.19 -0.36 0.31 0.21 -1.46 0.00 0.00 175.22 174.12 1dvd s LYS 101 N 1.46 4.17 -0.72 10.12 2.20 -0.88 -1.69 119.74 134.40 1dvd s LYS 101 Ca -0.01 0.06 -0.02 0.00 -0.36 0.00 0.00 55.97 55.64 1dvd s LYS 101 Cb -0.13 -3.51 0.41 0.00 -1.51 0.00 0.00 37.83 33.09 1dvd s LYS 101 CO -0.04 0.05 1.98 -1.13 -0.36 0.00 0.00 175.35 175.86 1dvd n SER 102 N 4.21 7.48 -1.21 1.43 3.41 -1.26 -3.62 113.62 124.06 1dvd n SER 102 Ca -0.11 -3.81 0.13 0.00 -0.26 0.00 0.00 58.87 54.83 1dvd n SER 102 Cb 0.51 -0.98 -0.06 0.00 -0.26 0.00 0.00 64.21 63.42 1dvd n SER 102 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1dvd n LEU 102 N -0.75 -0.72 -4.56 1.04 4.32 -1.26 -4.33 117.00 110.74 1dvd n LEU 102 Ca 0.58 1.67 -0.38 0.00 -0.02 0.00 0.00 56.01 57.86 1dvd n LEU 102 Cb 0.50 -3.23 -0.03 0.00 -1.62 0.00 0.00 43.42 39.03 1dvd n LEU 102 CO 0.66 -1.88 1.44 -2.16 -1.22 0.00 0.00 177.39 174.23 1dvd s PRO 103 N -3.94 3.34 0.00 3.23 0.04 -1.26 -4.68 135.00 131.73 1dvd s PRO 103 Ca 0.00 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.15 1dvd s PRO 103 Cb 0.00 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.29 1dvd s PRO 103 CO 0.00 -2.47 0.00 0.41 0.04 0.00 0.00 177.00 174.98 1dvd n GLY 104 N 6.82 0.09 1.69 0.56 0.00 -1.26 -5.17 105.19 107.92 1dvd n GLY 104 Ca 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 1dvd n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dvd n GLN 105 N -1.59 0.30 -0.04 1.61 -0.00 -1.26 -5.15 117.38 111.24 1dvd n GLN 105 Ca 0.00 -0.67 0.01 0.00 -0.00 0.00 0.00 57.00 56.34 1dvd n GLN 105 Cb 0.00 0.90 -0.00 0.00 -0.00 0.00 0.00 30.24 31.14 1dvd n GLN 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1dvd n ASN 105 N -0.91 -2.16 -3.43 2.61 2.85 -1.26 -4.85 115.26 108.10 1dvd n ASN 105 Ca -0.01 0.05 -0.23 0.00 -0.11 0.00 0.00 54.58 54.27 1dvd n ASN 105 Cb 0.26 -0.13 0.22 0.00 1.24 0.00 0.00 39.78 41.37 1dvd n ASN 105 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1dvd n GLU 106 N -0.82 -3.54 -4.23 1.20 1.02 -1.26 -4.97 120.64 108.04 1dvd n GLU 106 Ca 0.00 -1.05 -0.34 0.00 -0.02 0.00 0.00 57.16 55.75 1dvd n GLU 106 Cb 0.02 -1.70 -0.14 0.00 -0.02 0.00 0.00 31.44 29.61 1dvd n GLU 106 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1dvd s ASP 107 N -2.51 4.40 0.19 1.62 -1.08 -1.26 -5.02 116.67 113.00 1dvd s ASP 107 Ca 0.51 -0.30 0.00 0.00 -0.52 0.00 0.00 52.55 52.24 1dvd s ASP 107 Cb -0.09 -1.73 0.00 0.00 -1.46 0.00 0.00 42.92 39.64 1dvd s ASP 107 CO 0.44 0.07 0.00 0.18 0.52 0.00 0.00 175.17 176.38 1dvd n LEU 108 N 4.18 -0.37 -3.82 -1.34 4.32 -1.26 -4.96 117.00 113.75 1dvd n LEU 108 Ca -0.18 0.83 -0.09 0.00 -0.02 0.00 0.00 56.01 56.55 1dvd n LEU 108 Cb 0.52 -2.59 -0.06 0.00 -1.62 0.00 0.00 43.42 39.66 1dvd n LEU 108 CO 0.30 -1.82 -0.02 0.54 -1.22 0.00 0.00 177.39 175.18 1dvd s VAL 109 N -2.01 0.11 -0.97 4.08 0.11 -0.68 -4.90 120.40 116.14 1dvd s VAL 109 Ca 0.00 -1.07 -0.14 0.00 -2.93 0.00 0.00 61.98 57.85 1dvd s VAL 109 Cb 0.00 -1.38 0.21 0.00 -1.53 0.00 0.00 36.38 33.68 1dvd s VAL 109 CO 0.00 -0.51 1.01 -0.22 -3.33 0.00 0.00 175.10 172.05 1dvd s LEU 110 N -2.86 6.14 0.55 2.54 2.96 -1.26 -1.21 118.68 125.54 1dvd s LEU 110 Ca 0.06 -2.85 0.34 0.00 -0.22 0.00 0.00 54.13 51.46 1dvd s LEU 110 Cb 0.04 -2.27 1.47 0.00 0.50 0.00 0.00 46.19 45.93 1dvd s LEU 110 CO -0.09 -0.61 2.03 0.71 -1.32 0.00 0.00 176.35 177.07 1dvd h THR 111 N 4.66 0.09 0.00 3.68 1.35 -0.45 -3.48 112.91 118.77 1dvd h THR 111 Ca 0.16 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1dvd h THR 111 Cb 0.97 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1dvd h THR 111 CO 0.94 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.85 1dvd n GLY 112 N -0.14 -0.79 0.00 5.82 0.00 -0.27 -4.93 105.19 104.88 1dvd n GLY 112 Ca -0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.76 0.00 -3.14 1.61 0.18 -1.26 -1.66 117.16 113.64 1dvd n TYR 113 Ca 0.00 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.34 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 -0.54 3.09 0.80 -3.48 -1.52 0.10 -4.87 119.66 113.24 1dvd s GLN 114 Ca 0.00 -1.07 -0.11 0.00 -1.95 0.00 0.00 55.36 52.23 1dvd s GLN 114 Cb 0.00 -4.16 0.08 0.00 -0.22 0.00 0.00 33.01 28.70 1dvd s GLN 114 CO 0.00 -1.34 1.11 0.54 -0.25 0.00 0.00 175.29 175.35 1dvd s VAL 115 N 2.63 2.95 -0.88 1.09 0.11 -1.26 -1.10 120.40 123.94 1dvd s VAL 115 Ca 0.13 0.32 -0.06 0.00 -2.93 0.00 0.00 61.98 59.45 1dvd s VAL 115 Cb -0.21 -2.69 0.05 0.00 -1.53 0.00 0.00 36.38 32.00 1dvd s VAL 115 CO 0.10 -0.39 0.23 -0.67 -3.33 0.00 0.00 175.10 171.03 1dvd n ASP 115 N -3.62 -2.64 -4.69 3.54 -0.08 -1.23 -4.86 116.55 102.97 1dvd n ASP 115 Ca 0.10 -0.06 -0.39 0.00 -1.51 0.00 0.00 54.79 52.93 1dvd n ASP 115 Cb 0.53 -2.27 -0.06 0.00 2.34 0.00 0.00 41.12 41.65 1dvd n ASP 115 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1dvd s LYS 116 N -5.59 4.29 1.05 -0.67 2.47 -1.15 -4.91 119.74 115.22 1dvd s LYS 116 Ca 0.23 0.53 -0.13 0.00 -1.56 0.00 0.00 55.97 55.04 1dvd s LYS 116 Cb -0.12 -3.50 0.21 0.00 -1.46 0.00 0.00 37.83 32.96 1dvd s LYS 116 CO 0.28 -0.02 1.09 -0.80 0.16 0.00 0.00 175.35 176.05 1dvd s ASN 117 N 0.91 2.20 0.03 1.43 0.02 -1.26 -3.77 114.94 114.50 1dvd s ASN 117 Ca 0.28 1.15 -0.29 0.00 -1.02 0.00 0.00 52.86 52.98 1dvd s ASN 117 Cb -0.16 -1.79 -0.16 0.00 0.02 0.00 0.00 41.25 39.16 1dvd s ASN 117 CO 0.11 -3.39 1.28 0.07 0.02 0.00 0.00 177.10 175.19 1dvd h LYS 118 N -2.07 -1.00 -1.81 -0.60 2.10 -1.96 -2.60 116.57 108.63 1dvd h LYS 118 Ca -0.55 0.07 0.54 0.00 -2.00 0.00 0.00 60.65 58.71 1dvd h LYS 118 Cb 1.33 0.23 -0.10 0.00 -0.90 0.00 0.00 32.23 32.79 1dvd h LYS 118 CO 0.55 -0.66 1.27 0.22 -2.00 0.00 0.00 179.45 178.83 1dvd h ASP 119 N -1.17 0.06 -1.76 7.07 3.58 -2.02 -3.39 116.42 118.79 1dvd h ASP 119 Ca -0.11 0.04 -0.68 0.00 0.42 0.00 0.00 57.03 56.70 1dvd h ASP 119 Cb 0.79 0.04 0.02 0.00 1.72 0.00 0.00 39.33 41.91 1dvd h ASP 119 CO 0.17 -0.07 0.92 -0.67 -2.88 0.00 0.00 179.24 176.71 1dvd n ASP 120 N -4.16 2.71 -4.76 2.28 -0.08 -0.98 -4.91 116.55 106.64 1dvd n ASP 120 Ca 0.43 1.04 -0.39 0.00 -1.51 0.00 0.00 54.79 54.37 1dvd n ASP 120 Cb 1.89 -1.24 -0.06 0.00 2.34 0.00 0.00 41.12 44.05 1dvd n ASP 120 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1dvd s GLU 121 N 3.31 4.32 0.18 -0.67 2.12 -1.26 -4.95 118.70 121.75 1dvd s GLU 121 Ca 0.94 0.75 -0.10 0.00 0.36 0.00 0.00 54.97 56.92 1dvd s GLU 121 Cb -0.91 -3.34 0.07 0.00 0.26 0.00 0.00 34.13 30.21 1dvd s GLU 121 CO 0.58 0.36 1.67 -0.07 -0.54 0.00 0.00 175.26 177.26 1dvd h LEU 122 N 5.64 0.98 0.00 2.70 4.07 -1.93 -3.48 115.31 123.29 1dvd h LEU 122 Ca -0.45 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.25 1dvd h LEU 122 Cb 1.20 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1dvd h LEU 122 CO 0.70 0.99 0.00 0.35 -1.08 0.00 0.00 178.44 179.40 1dvd n THR 123 N -4.28 0.00 0.27 0.22 -2.24 -1.26 -2.03 114.28 104.96 1dvd n THR 123 Ca 0.03 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.88 1dvd n THR 123 Cb 0.28 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 68.90 1dvd n THR 123 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1dvd h GLY 124 N 0.00 0.00 1.00 3.38 0.00 -1.99 -3.50 103.07 101.96 1dvd h GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dvd h GLY 124 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.54 176.87