#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bcb s SER 2 N 0.00 -0.39 0.46 4.39 1.04 -1.26 -5.03 113.70 112.91 2bcb s SER 2 Ca 0.00 -0.03 0.21 0.00 0.48 0.00 0.00 55.95 56.61 2bcb s SER 2 Cb 0.00 0.44 1.20 0.00 0.10 0.00 0.00 66.02 67.75 2bcb s SER 2 CO 0.00 -0.71 1.90 1.55 0.98 0.00 0.00 173.24 176.96 2bcb h PRO 3 N 2.00 0.26 -1.00 4.02 0.13 -2.05 -0.06 132.00 135.31 2bcb h PRO 3 Ca -0.25 -0.02 0.18 0.00 -0.87 0.00 0.00 66.00 65.04 2bcb h PRO 3 Cb 1.25 -0.06 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 2bcb h PRO 3 CO 0.32 0.17 0.62 1.49 -0.23 0.00 0.00 178.00 180.37 2bcb h GLU 4 N 0.27 0.76 -0.42 0.86 4.81 -1.98 0.22 114.58 119.11 2bcb h GLU 4 Ca 0.40 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.49 2bcb h GLU 4 Cb 1.16 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 2bcb h GLU 4 CO -0.10 0.50 -0.10 0.93 -0.73 0.00 0.00 179.01 179.51 2bcb h GLU 5 N 0.79 0.81 -0.29 1.92 4.39 -1.40 0.76 114.58 121.55 2bcb h GLU 5 Ca 0.55 -0.31 -0.12 0.00 0.34 0.00 0.00 59.36 59.82 2bcb h GLU 5 Cb 0.83 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2bcb h GLU 5 CO -0.34 0.93 -0.30 -0.07 -1.16 0.00 0.00 179.01 178.07 2bcb h LEU 6 N 0.63 0.63 -0.03 1.33 3.38 -1.12 0.49 115.31 120.61 2bcb h LEU 6 Ca 0.10 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2bcb h LEU 6 Cb 0.64 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2bcb h LEU 6 CO 0.04 0.89 0.01 0.50 0.09 0.00 0.00 178.44 179.98 2bcb h LYS 7 N 0.52 0.05 0.04 1.13 1.63 -0.46 0.14 116.57 119.62 2bcb h LYS 7 Ca 0.06 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 2bcb h LYS 7 Cb 0.79 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.37 2bcb h LYS 7 CO 0.06 0.22 -0.20 0.78 -3.45 0.00 0.00 179.45 176.87 2bcb h GLY 8 N -0.12 -0.30 0.62 5.01 0.00 -0.46 0.48 103.07 108.30 2bcb h GLY 8 Ca 0.01 0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.59 2bcb h GLY 8 CO -0.00 -0.18 -0.20 -2.22 0.00 0.00 0.00 176.54 173.94 2bcb h ILE 9 N -0.34 0.54 -0.16 2.60 1.08 -0.85 0.19 117.51 120.57 2bcb h ILE 9 Ca 0.05 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.57 2bcb h ILE 9 Cb 0.39 0.54 -0.07 0.00 -3.07 0.00 0.00 36.82 34.62 2bcb h ILE 9 CO -0.16 0.00 -0.33 0.15 -0.69 0.00 0.00 178.15 177.12 2bcb h PHE 10 N -0.36 -0.91 -0.39 1.37 3.04 -0.45 -0.65 116.94 118.59 2bcb h PHE 10 Ca 0.03 0.04 0.02 0.00 3.98 0.00 0.00 57.97 62.05 2bcb h PHE 10 Cb 0.40 0.43 -0.03 0.00 2.56 0.00 0.00 35.95 39.31 2bcb h PHE 10 CO -0.21 -0.40 0.21 1.49 -2.02 0.00 0.00 178.31 177.38 2bcb h GLU 11 N -0.39 0.42 -0.18 1.11 4.57 -0.62 0.16 114.58 119.64 2bcb h GLU 11 Ca 0.10 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 2bcb h GLU 11 Cb 0.55 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.98 2bcb h GLU 11 CO -0.37 0.28 -0.23 -0.22 -1.18 0.00 0.00 179.01 177.28 2bcb h LYS 12 N 0.43 -0.26 -0.04 1.92 3.64 0.03 0.12 116.57 122.42 2bcb h LYS 12 Ca 0.16 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2bcb h LYS 12 Cb 0.04 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2bcb h LYS 12 CO -0.09 -0.17 -0.03 1.88 -2.27 0.00 0.00 179.45 178.76 2bcb h TYR 13 N -0.27 0.11 -1.02 1.91 -1.99 -0.86 -3.13 116.97 111.72 2bcb h TYR 13 Ca 0.12 -0.03 0.25 0.00 2.00 0.00 0.00 58.73 61.07 2bcb h TYR 13 Cb 0.44 -0.02 -0.09 0.00 2.00 0.00 0.00 36.73 39.06 2bcb h TYR 13 CO -0.36 0.54 0.65 0.00 -0.00 0.00 0.00 178.16 178.99 2bcb h ALA 14 N 0.55 2.15 0.00 3.88 0.00 -0.34 0.63 119.26 126.13 2bcb h ALA 14 Ca 0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bcb h ALA 14 Cb 0.52 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2bcb h ALA 14 CO 0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 179.25 178.71 2bcb h ALA 15 N 1.63 1.54 0.34 0.00 0.00 -0.70 -3.15 119.26 118.91 2bcb h ALA 15 Ca 0.58 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.47 2bcb h ALA 15 Cb 1.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2bcb h ALA 15 CO -0.30 0.01 -0.16 0.87 0.00 0.00 0.00 179.25 179.67 2bcb h LYS 16 N 0.00 -0.44 -3.74 0.00 6.56 -0.96 -3.43 116.57 114.56 2bcb h LYS 16 Ca -0.00 0.03 -0.23 0.00 -1.06 0.00 0.00 60.65 59.39 2bcb h LYS 16 Cb 0.01 0.10 -0.28 0.00 -0.57 0.00 0.00 32.23 31.49 2bcb h LYS 16 CO 0.00 -0.20 -0.72 -1.21 -2.06 0.00 0.00 179.45 175.26 2bcb s GLU 17 N -3.36 0.01 0.00 3.15 2.02 -1.20 -4.87 118.70 114.45 2bcb s GLU 17 Ca -0.09 -0.00 0.00 0.00 0.02 0.00 0.00 54.97 54.90 2bcb s GLU 17 Cb 0.01 -0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.23 2bcb s GLU 17 CO 0.30 0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.99 2bcb n GLY 18 N 3.09 0.69 0.59 -1.39 0.00 -1.26 -3.65 105.19 103.25 2bcb n GLY 18 Ca -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2bcb n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2bcb n ASP 19 N 0.81 -3.85 0.09 1.61 -0.08 -1.22 -3.75 116.55 110.17 2bcb n ASP 19 Ca 0.00 0.46 0.18 0.00 -1.51 0.00 0.00 54.79 53.92 2bcb n ASP 19 Cb 0.00 -1.12 0.55 0.00 2.34 0.00 0.00 41.12 42.88 2bcb n ASP 19 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2bcb h PRO 20 N 0.64 0.00 0.00 -0.67 0.13 -1.82 0.10 132.00 130.38 2bcb h PRO 20 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2bcb h PRO 20 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2bcb h PRO 20 CO 0.00 0.00 -0.46 -0.97 -0.23 0.00 0.00 178.00 176.34 2bcb h ASN 21 N 0.00 0.00 -4.27 1.44 -1.24 -1.85 -3.40 115.58 106.26 2bcb h ASN 21 Ca 0.21 0.00 -0.56 0.00 0.71 0.00 0.00 56.30 56.66 2bcb h ASN 21 Cb 1.69 0.00 -0.30 0.00 0.73 0.00 0.00 38.32 40.44 2bcb h ASN 21 CO -0.00 0.03 -0.84 -1.10 -1.29 0.00 0.00 177.43 174.23 2bcb s GLN 22 N -3.26 1.52 -0.51 6.67 -0.21 0.36 -3.91 119.66 120.32 2bcb s GLN 22 Ca 0.04 -0.64 -0.19 0.00 0.02 0.00 0.00 55.36 54.59 2bcb s GLN 22 Cb 0.07 -1.44 0.06 0.00 1.00 0.00 0.00 33.01 32.70 2bcb s GLN 22 CO 0.73 0.37 0.62 -0.51 -2.12 0.00 0.00 175.29 174.37 2bcb s LEU 23 N -0.35 5.00 0.88 2.90 1.43 0.94 -4.18 118.68 125.29 2bcb s LEU 23 Ca 0.05 -0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 52.11 2bcb s LEU 23 Cb -0.08 -2.44 0.12 0.00 0.03 0.00 0.00 46.19 43.83 2bcb s LEU 23 CO -0.00 -0.89 1.11 -0.94 0.23 0.00 0.00 176.35 175.86 2bcb s SER 24 N 2.71 3.48 0.20 2.29 1.04 -1.24 -0.16 113.70 122.00 2bcb s SER 24 Ca 0.15 1.88 -0.11 0.00 0.48 0.00 0.00 55.95 58.34 2bcb s SER 24 Cb -0.19 -2.46 0.23 0.00 0.10 0.00 0.00 66.02 63.69 2bcb s SER 24 CO 0.12 -2.70 1.72 0.50 0.98 0.00 0.00 173.24 173.86 2bcb h LYS 25 N -1.59 0.28 -0.17 4.02 3.64 -1.91 0.12 116.57 120.96 2bcb h LYS 25 Ca -0.46 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2bcb h LYS 25 Cb 1.26 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2bcb h LYS 25 CO 0.48 0.19 0.09 1.49 -2.27 0.00 0.00 179.45 179.43 2bcb h GLU 26 N 0.29 0.24 -0.86 1.90 4.57 -1.91 -2.90 114.58 115.92 2bcb h GLU 26 Ca 0.28 -0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.56 2bcb h GLU 26 Cb 0.37 -0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 28.82 2bcb h GLU 26 CO -0.33 0.25 0.47 1.49 -1.18 0.00 0.00 179.01 179.70 2bcb h GLU 27 N 0.17 0.68 -0.98 1.92 4.57 -1.47 -0.74 114.58 118.74 2bcb h GLU 27 Ca 0.06 -0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.30 2bcb h GLU 27 Cb 0.08 -0.15 -0.08 0.00 -0.16 0.00 0.00 28.75 28.44 2bcb h GLU 27 CO -0.01 0.45 0.62 1.25 -1.18 0.00 0.00 179.01 180.15 2bcb h LEU 28 N 0.70 0.92 -0.01 1.64 5.85 -0.61 -1.97 115.31 121.83 2bcb h LEU 28 Ca 0.45 0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.22 2bcb h LEU 28 Cb 0.56 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2bcb h LEU 28 CO -0.32 0.52 -0.34 0.50 -0.34 0.00 0.00 178.44 178.46 2bcb h LYS 29 N 1.00 -0.41 -0.80 1.25 1.63 -1.10 0.83 116.57 118.97 2bcb h LYS 29 Ca 0.47 0.03 0.16 0.00 -0.85 0.00 0.00 60.65 60.46 2bcb h LYS 29 Cb 0.42 0.09 -0.10 0.00 -0.60 0.00 0.00 32.23 32.03 2bcb h LYS 29 CO -0.23 -0.27 0.33 -0.07 -3.45 0.00 0.00 179.45 175.76 2bcb h LEU 30 N -0.42 0.30 -0.13 5.20 3.38 -1.51 0.11 115.31 122.23 2bcb h LEU 30 Ca 0.01 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.13 2bcb h LEU 30 Cb 0.46 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2bcb h LEU 30 CO -0.23 0.08 -0.04 0.25 0.09 0.00 0.00 178.44 178.59 2bcb h LEU 31 N 0.44 -0.16 -0.08 1.67 6.46 -0.55 0.55 115.31 123.64 2bcb h LEU 31 Ca 0.46 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.26 2bcb h LEU 31 Cb 0.74 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 2bcb h LEU 31 CO -0.44 -0.06 0.04 -0.07 -0.62 0.00 0.00 178.44 177.29 2bcb h LEU 32 N -0.02 0.05 -0.89 2.25 3.38 0.13 0.20 115.31 120.43 2bcb h LEU 32 Ca 0.07 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2bcb h LEU 32 Cb 0.12 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2bcb h LEU 32 CO -0.15 0.04 0.58 1.56 0.09 0.00 0.00 178.44 180.57 2bcb h GLN 33 N 0.08 1.14 0.00 1.13 4.20 -0.51 -0.70 115.11 120.45 2bcb h GLN 33 Ca 0.03 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 2bcb h GLN 33 Cb 0.01 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 2bcb h GLN 33 CO -0.03 0.75 -0.59 1.15 -0.67 0.00 0.00 178.83 179.45 2bcb h THR 34 N 1.17 0.22 0.00 -0.54 2.02 -0.65 -3.43 112.91 111.69 2bcb h THR 34 Ca 0.33 -1.26 -0.35 0.00 0.77 0.00 0.00 66.41 65.91 2bcb h THR 34 Cb -0.09 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 66.76 2bcb h THR 34 CO -0.09 0.07 -2.31 -0.62 0.37 0.00 0.00 175.52 172.94 2bcb n GLU 35 N -4.60 0.81 -2.62 6.66 -0.58 0.60 -4.70 120.64 116.21 2bcb n GLU 35 Ca -0.11 0.05 -0.32 0.00 -0.42 0.00 0.00 57.16 56.35 2bcb n GLU 35 Cb 0.32 -1.48 -0.00 0.00 -0.57 0.00 0.00 31.44 29.71 2bcb n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2bcb n PHE 36 N -2.89 3.45 -0.01 -0.32 3.01 -0.55 -4.84 117.46 115.30 2bcb n PHE 36 Ca -0.35 -3.21 -0.13 0.00 1.01 0.00 0.00 57.45 54.77 2bcb n PHE 36 Cb 1.05 -0.67 -0.10 0.00 -0.01 0.00 0.00 39.48 39.74 2bcb n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2bcb h PRO 37 N 3.20 -0.03 -0.79 -1.08 0.13 -1.40 -3.29 132.00 128.73 2bcb h PRO 37 Ca 0.33 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.63 2bcb h PRO 37 Cb 0.48 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.51 2bcb h PRO 37 CO 1.00 0.51 0.31 0.66 -0.23 0.00 0.00 178.00 180.25 2bcb h SER 38 N -0.59 0.25 -0.53 1.44 4.64 -1.88 -0.48 113.55 116.41 2bcb h SER 38 Ca -0.00 0.13 0.15 0.00 -0.47 0.00 0.00 61.79 61.59 2bcb h SER 38 Cb 0.55 0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 2bcb h SER 38 CO 0.01 0.06 0.47 -0.07 -0.87 0.00 0.00 176.83 176.43 2bcb h LEU 39 N 0.41 0.00 -1.73 5.97 -0.00 -1.95 0.10 115.31 118.12 2bcb h LEU 39 Ca 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.31 2bcb h LEU 39 Cb 0.74 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.40 2bcb h LEU 39 CO -0.45 0.00 -0.05 -0.07 -0.00 0.00 0.00 178.44 177.87 2bcb h LEU 40 N 0.00 0.10 0.00 1.67 3.38 -1.20 0.25 115.31 119.51 2bcb h LEU 40 Ca 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2bcb h LEU 40 Cb 1.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2bcb h LEU 40 CO -0.00 0.17 0.00 0.29 0.09 0.00 0.00 178.44 178.98 2bcb n LYS 41 N -4.42 0.32 -0.34 1.13 4.76 0.36 -3.46 118.16 116.51 2bcb n LYS 41 Ca -0.02 0.09 0.15 0.00 -2.87 0.00 0.00 58.31 55.67 2bcb n LYS 41 Cb 0.17 -1.50 0.35 0.00 -1.84 0.00 0.00 35.03 32.20 2bcb n LYS 41 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2bcb h GLY 42 N 2.77 1.82 0.00 0.72 0.00 -1.06 -3.46 103.07 103.85 2bcb h GLY 42 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2bcb h GLY 42 CO 0.00 -0.17 0.00 0.61 0.00 0.00 0.00 176.54 176.98 2bcb n GLY 43 N -1.32 0.82 3.64 4.60 0.00 -1.22 -5.14 105.19 106.56 2bcb n GLY 43 Ca 0.25 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 2bcb n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bcb s SER 44 N -1.67 -0.51 0.85 1.61 0.01 -1.26 -5.10 113.70 107.63 2bcb s SER 44 Ca 0.00 0.97 -0.12 0.00 1.31 0.00 0.00 55.95 58.11 2bcb s SER 44 Cb 0.00 1.00 0.10 0.00 0.21 0.00 0.00 66.02 67.33 2bcb s SER 44 CO 0.00 -0.17 1.10 0.42 0.41 0.00 0.00 173.24 175.00 2bcb s THR 45 N 0.33 2.84 0.31 1.44 -4.23 -1.26 -4.76 115.64 110.31 2bcb s THR 45 Ca 0.02 0.27 0.05 0.00 -1.18 0.00 0.00 61.69 60.85 2bcb s THR 45 Cb -0.05 -2.90 0.30 0.00 1.34 0.00 0.00 72.50 71.19 2bcb s THR 45 CO -0.06 -0.35 1.84 0.25 -0.54 0.00 0.00 174.62 175.76 2bcb h LEU 46 N -1.32 0.81 0.83 4.79 6.46 -1.98 0.50 115.31 125.40 2bcb h LEU 46 Ca -0.48 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.29 2bcb h LEU 46 Cb 1.28 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 41.11 2bcb h LEU 46 CO 0.57 0.40 -0.40 0.44 -0.62 0.00 0.00 178.44 178.84 2bcb h ASP 47 N 0.85 -0.94 -0.42 1.25 5.19 -1.97 0.21 116.42 120.59 2bcb h ASP 47 Ca 0.49 0.03 0.07 0.00 -0.62 0.00 0.00 57.03 56.99 2bcb h ASP 47 Cb 0.63 0.24 -0.06 0.00 0.18 0.00 0.00 39.33 40.32 2bcb h ASP 47 CO -0.26 -0.60 0.08 -0.33 -3.12 0.00 0.00 179.24 175.02 2bcb h GLU 48 N -1.26 0.21 0.74 3.56 5.08 -1.81 0.38 114.58 121.48 2bcb h GLU 48 Ca -0.11 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 2bcb h GLU 48 Cb 0.86 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2bcb h GLU 48 CO 0.19 0.14 -0.43 1.25 -1.00 0.00 0.00 179.01 179.15 2bcb h LEU 49 N 0.21 -1.07 -1.49 1.33 5.85 -0.86 0.91 115.31 120.20 2bcb h LEU 49 Ca 0.20 0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.06 2bcb h LEU 49 Cb 0.25 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 2bcb h LEU 49 CO -0.27 -0.68 0.44 0.15 -0.34 0.00 0.00 178.44 177.74 2bcb h PHE 50 N -1.09 0.62 -0.33 1.25 3.57 -0.38 0.14 116.94 120.72 2bcb h PHE 50 Ca -0.10 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.33 2bcb h PHE 50 Cb 0.87 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 2bcb h PHE 50 CO -0.08 0.31 -0.16 0.93 -2.23 0.00 0.00 178.31 177.08 2bcb h GLU 51 N 0.60 0.69 -0.23 1.11 5.08 0.26 0.51 114.58 122.60 2bcb h GLU 51 Ca 0.30 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2bcb h GLU 51 Cb 0.38 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2bcb h GLU 51 CO -0.09 0.90 0.08 1.49 -1.00 0.00 0.00 179.01 180.39 2bcb h GLU 52 N 0.46 0.19 -0.38 2.33 4.81 0.18 -2.86 114.58 119.30 2bcb h GLU 52 Ca 0.07 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2bcb h GLU 52 Cb 0.69 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2bcb h GLU 52 CO 0.05 0.12 0.24 -0.07 -0.73 0.00 0.00 179.01 178.62 2bcb h LEU 53 N 0.19 0.45 -5.99 1.64 3.38 -0.84 -3.34 115.31 110.80 2bcb h LEU 53 Ca 0.10 -0.04 -0.69 0.00 0.09 0.00 0.00 57.88 57.34 2bcb h LEU 53 Cb 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2bcb h LEU 53 CO -0.10 0.35 3.06 -0.67 0.09 0.00 0.00 178.44 181.17 2bcb n ASP 54 N -4.80 4.06 0.27 -0.43 2.03 0.18 -4.59 116.55 113.27 2bcb n ASP 54 Ca -0.00 -2.79 0.12 0.00 0.52 0.00 0.00 54.79 52.65 2bcb n ASP 54 Cb 0.04 -1.56 0.79 0.00 -0.72 0.00 0.00 41.12 39.68 2bcb n ASP 54 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2bcb h LYS 55 N 6.22 0.00 -0.26 -0.67 1.79 -1.76 -0.86 116.57 121.03 2bcb h LYS 55 Ca 0.57 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.89 2bcb h LYS 55 Cb 0.61 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 2bcb h LYS 55 CO 1.89 0.00 -0.46 -0.97 -1.08 0.00 0.00 179.45 178.83 2bcb h ASN 56 N 0.00 0.74 -5.03 0.86 -0.00 -1.87 -3.48 115.58 106.80 2bcb h ASN 56 Ca 0.01 -0.36 -0.04 0.00 -0.00 0.00 0.00 56.30 55.91 2bcb h ASN 56 Cb 0.05 -0.21 0.03 0.00 -0.00 0.00 0.00 38.32 38.20 2bcb h ASN 56 CO -0.00 1.09 -0.14 0.61 -0.00 0.00 0.00 177.43 178.98 2bcb n GLY 57 N 0.15 -1.05 0.95 1.57 0.00 -0.33 -4.99 105.19 101.48 2bcb n GLY 57 Ca -0.03 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2bcb n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bcb n ASP 58 N -1.91 0.22 0.00 1.61 5.75 -1.26 -5.05 116.55 115.91 2bcb n ASP 58 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 2bcb n ASP 58 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2bcb n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bcb n GLY 59 N 1.70 0.08 3.25 6.12 0.00 -1.26 -5.15 105.19 109.92 2bcb n GLY 59 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2bcb n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bcb s GLU 60 N 0.00 1.24 0.52 1.61 8.01 -1.26 -2.96 118.70 125.86 2bcb s GLU 60 Ca 0.00 -1.65 0.08 0.00 0.01 0.00 0.00 54.97 53.41 2bcb s GLU 60 Cb 0.00 -0.04 0.05 0.00 -4.31 0.00 0.00 34.13 29.83 2bcb s GLU 60 CO 0.00 -0.30 0.59 0.08 0.01 0.00 0.00 175.26 175.65 2bcb s VAL 61 N -3.90 2.22 0.17 2.63 1.01 0.77 -4.72 120.40 118.57 2bcb s VAL 61 Ca 0.35 -1.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 2bcb s VAL 61 Cb 0.07 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 34.06 2bcb s VAL 61 CO 0.10 0.00 0.39 -0.94 0.00 0.00 0.00 175.10 174.65 2bcb s SER 62 N -4.44 -0.10 0.24 3.32 1.04 -1.26 -0.04 113.70 112.46 2bcb s SER 62 Ca 0.51 -0.66 -0.05 0.00 0.48 0.00 0.00 55.95 56.24 2bcb s SER 62 Cb -0.05 0.49 0.45 0.00 0.10 0.00 0.00 66.02 67.01 2bcb s SER 62 CO 0.32 -0.95 1.72 0.15 0.98 0.00 0.00 173.24 175.45 2bcb h PHE 63 N 2.39 0.44 -0.61 5.02 3.57 -1.95 0.12 116.94 125.93 2bcb h PHE 63 Ca -0.31 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.29 2bcb h PHE 63 Cb 1.24 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.83 2bcb h PHE 63 CO 0.38 0.03 -0.36 1.49 -2.23 0.00 0.00 178.31 177.61 2bcb h GLU 64 N 0.39 -0.00 -0.14 1.11 4.81 -1.96 -0.47 114.58 118.31 2bcb h GLU 64 Ca 0.41 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.43 2bcb h GLU 64 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2bcb h GLU 64 CO -0.42 -0.00 -0.72 1.05 -0.73 0.00 0.00 179.01 178.18 2bcb h GLU 65 N -0.00 0.65 -0.56 1.92 4.11 -1.77 -3.03 114.58 115.91 2bcb h GLU 65 Ca 0.10 -0.51 0.16 0.00 0.07 0.00 0.00 59.36 59.17 2bcb h GLU 65 Cb 0.25 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2bcb h GLU 65 CO -0.58 1.13 0.40 0.35 0.07 0.00 0.00 179.01 180.38 2bcb h PHE 66 N 0.46 0.04 -0.26 2.06 3.57 0.12 0.12 116.94 123.05 2bcb h PHE 66 Ca -0.03 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.54 2bcb h PHE 66 Cb 1.32 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 2bcb h PHE 66 CO 0.07 0.02 0.26 1.96 -2.23 0.00 0.00 178.31 178.38 2bcb h GLN 67 N 0.04 0.00 -0.25 1.11 1.08 -0.98 0.33 115.11 116.43 2bcb h GLN 67 Ca 0.27 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.42 2bcb h GLN 67 Cb 1.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 2bcb h GLN 67 CO -0.01 0.00 -0.03 0.28 -0.95 0.00 0.00 178.83 178.11 2bcb h VAL 68 N 0.00 1.17 0.08 -0.54 2.07 -0.96 0.93 116.25 119.01 2bcb h VAL 68 Ca 0.12 -0.70 -0.15 0.00 0.82 0.00 0.00 66.70 66.80 2bcb h VAL 68 Cb 0.64 1.02 0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2bcb h VAL 68 CO -0.00 0.23 -0.63 0.25 0.02 0.00 0.00 177.57 177.44 2bcb h LEU 69 N 0.37 0.41 -0.59 2.57 7.12 -0.56 -3.31 115.31 121.32 2bcb h LEU 69 Ca 0.08 -0.90 0.12 0.00 0.13 0.00 0.00 57.88 57.30 2bcb h LEU 69 Cb 0.30 -0.13 -0.09 0.00 -0.53 0.00 0.00 40.66 40.21 2bcb h LEU 69 CO 0.01 1.28 0.09 0.58 -0.13 0.00 0.00 178.44 180.26 2bcb h VAL 70 N -0.39 0.60 -1.09 1.05 2.07 -0.69 0.19 116.25 117.99 2bcb h VAL 70 Ca -0.10 -0.07 0.32 0.00 0.82 0.00 0.00 66.70 67.66 2bcb h VAL 70 Cb 1.45 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2bcb h VAL 70 CO 0.12 0.04 0.83 0.50 0.02 0.00 0.00 177.57 179.08 2bcb h LYS 71 N 0.21 0.00 0.00 1.57 1.63 -0.91 -0.61 116.57 118.46 2bcb h LYS 71 Ca 0.31 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 2bcb h LYS 71 Cb 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 2bcb h LYS 71 CO -0.43 0.00 -1.17 1.63 -3.45 0.00 0.00 179.45 176.03 2bcb n LYS 72 N -4.06 0.36 0.04 1.90 5.02 0.64 -4.41 118.16 117.66 2bcb n LYS 72 Ca 0.23 -0.02 0.04 0.00 -2.02 0.00 0.00 58.31 56.54 2bcb n LYS 72 Cb 1.19 -1.60 0.44 0.00 -0.02 0.00 0.00 35.03 35.05 2bcb n LYS 72 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 2bcb h ILE 73 N 0.00 1.10 -0.85 -0.18 3.07 -0.68 0.02 117.51 119.99 2bcb h ILE 73 Ca 0.00 -0.24 -0.39 0.00 1.55 0.00 0.00 64.86 65.78 2bcb h ILE 73 Cb 0.79 0.64 -0.23 0.00 -0.27 0.00 0.00 36.82 37.74 2bcb h ILE 73 CO 0.00 0.11 0.46 -1.20 -1.05 0.00 0.00 178.15 176.47 2bcb n SER 74 N -4.46 3.92 -0.11 2.16 7.64 -1.26 -5.15 113.62 116.36 2bcb n SER 74 Ca 0.02 -3.51 0.01 0.00 1.01 0.00 0.00 58.87 56.40 2bcb n SER 74 Cb 0.09 -0.79 0.01 0.00 -1.01 0.00 0.00 64.21 62.51 2bcb n SER 74 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70