#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 5.88 0.57 3.14 1.04 -1.26 -4.99 113.70 118.09 2bcb s SER 2 Ca 0.00 -0.23 0.32 0.00 0.48 0.00 0.00 55.95 56.52 2bcb s SER 2 Cb 0.00 -1.19 1.42 0.00 0.10 0.00 0.00 66.02 66.35 2bcb s SER 2 CO 0.00 -0.43 1.76 -0.65 0.98 0.00 0.00 173.24 174.90 2bcb h PRO 3 N 0.94 0.00 -1.02 4.02 0.11 -2.04 0.40 132.00 134.40 2bcb h PRO 3 Ca -0.45 0.00 0.28 0.00 0.11 0.00 0.00 66.00 65.94 2bcb h PRO 3 Cb 1.26 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.24 2bcb h PRO 3 CO 0.53 0.00 0.61 1.49 -0.21 0.00 0.00 178.00 180.42 2bcb h GLU 4 N 0.00 0.44 -0.04 1.05 4.22 -1.98 0.11 114.58 118.39 2bcb h GLU 4 Ca 0.42 -0.03 0.03 0.00 0.08 0.00 0.00 59.36 59.85 2bcb h GLU 4 Cb 1.95 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 31.07 2bcb h GLU 4 CO -0.00 0.29 -0.13 0.93 -2.18 0.00 0.00 179.01 177.92 2bcb h GLU 5 N 0.46 -0.19 -0.69 1.92 5.08 -1.30 0.17 114.58 120.02 2bcb h GLU 5 Ca 0.67 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.97 2bcb h GLU 5 Cb 1.46 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.72 2bcb h GLU 5 CO -0.49 -0.13 0.14 -0.07 -1.00 0.00 0.00 179.01 177.46 2bcb h LEU 6 N -0.20 1.07 -0.22 1.33 3.38 -1.04 0.82 115.31 120.44 2bcb h LEU 6 Ca 0.06 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2bcb h LEU 6 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2bcb h LEU 6 CO -0.15 1.04 0.12 0.50 0.09 0.00 0.00 178.44 180.04 2bcb h LYS 7 N 1.06 0.31 0.14 1.13 3.64 -0.63 0.16 116.57 122.37 2bcb h LYS 7 Ca 0.21 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2bcb h LYS 7 Cb 0.41 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2bcb h LYS 7 CO 0.01 0.29 -0.09 0.78 -2.27 0.00 0.00 179.45 178.17 2bcb h GLY 8 N 0.25 -0.22 0.62 5.01 0.00 -0.23 -0.33 103.07 108.18 2bcb h GLY 8 Ca 0.08 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.53 2bcb h GLY 8 CO -0.01 -0.09 -0.13 -2.22 0.00 0.00 0.00 176.54 174.09 2bcb h ILE 9 N -0.22 0.67 -0.08 2.60 1.08 -0.76 0.19 117.51 121.00 2bcb h ILE 9 Ca -0.01 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.50 2bcb h ILE 9 Cb 0.19 0.67 -0.06 0.00 -3.07 0.00 0.00 36.82 34.55 2bcb h ILE 9 CO 0.01 0.00 -0.34 0.15 -0.69 0.00 0.00 178.15 177.27 2bcb h PHE 10 N -0.19 -0.96 -0.28 1.37 3.04 -0.48 -0.15 116.94 119.30 2bcb h PHE 10 Ca 0.06 0.04 0.03 0.00 3.98 0.00 0.00 57.97 62.08 2bcb h PHE 10 Cb 0.27 0.43 -0.03 0.00 2.56 0.00 0.00 35.95 39.18 2bcb h PHE 10 CO -0.21 -0.42 0.07 1.49 -2.02 0.00 0.00 178.31 177.22 2bcb h GLU 11 N -0.45 0.18 -0.12 1.11 4.81 -0.74 0.16 114.58 119.53 2bcb h GLU 11 Ca 0.08 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 2bcb h GLU 11 Cb 0.57 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 2bcb h GLU 11 CO -0.33 0.12 -0.25 -0.22 -0.73 0.00 0.00 179.01 177.60 2bcb h LYS 12 N 0.19 -0.31 -0.03 1.92 3.64 -0.02 0.12 116.57 122.07 2bcb h LYS 12 Ca 0.13 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2bcb h LYS 12 Cb 0.12 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2bcb h LYS 12 CO -0.15 -0.21 -0.01 1.88 -2.27 0.00 0.00 179.45 178.69 2bcb h TYR 13 N -0.32 0.08 -0.96 1.91 -1.99 -0.79 -3.13 116.97 111.76 2bcb h TYR 13 Ca 0.10 -0.02 0.21 0.00 2.00 0.00 0.00 58.73 61.02 2bcb h TYR 13 Cb 0.47 -0.02 -0.08 0.00 2.00 0.00 0.00 36.73 39.10 2bcb h TYR 13 CO -0.35 0.45 0.62 0.00 -0.00 0.00 0.00 178.16 178.89 2bcb h ALA 14 N 0.62 2.07 0.00 3.88 0.00 -0.35 -0.67 119.26 124.81 2bcb h ALA 14 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2bcb h ALA 14 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2bcb h ALA 14 CO 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.85 2bcb n ALA 15 N -2.46 1.36 0.19 0.00 0.00 0.40 -3.50 120.51 116.50 2bcb n ALA 15 Ca 0.22 0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.61 2bcb n ALA 15 Cb 0.70 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 2bcb n ALA 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2bcb h LYS 16 N 0.00 -0.53 -7.39 0.00 1.63 -1.22 -3.46 116.57 105.61 2bcb h LYS 16 Ca 0.00 0.04 -0.46 0.00 -0.85 0.00 0.00 60.65 59.38 2bcb h LYS 16 Cb 0.16 0.12 0.11 0.00 -0.60 0.00 0.00 32.23 32.02 2bcb h LYS 16 CO 0.00 -0.25 0.23 -2.00 -3.45 0.00 0.00 179.45 173.98 2bcb s GLU 17 N -3.85 1.34 0.29 1.90 2.12 -1.23 -5.02 118.70 114.25 2bcb s GLU 17 Ca -0.11 -0.79 -0.30 0.00 0.36 0.00 0.00 54.97 54.13 2bcb s GLU 17 Cb 0.01 -2.14 -0.12 0.00 0.26 0.00 0.00 34.13 32.14 2bcb s GLU 17 CO 0.37 -1.78 1.48 0.41 -0.54 0.00 0.00 175.26 175.20 2bcb n GLY 18 N -3.18 1.02 1.83 -1.50 0.00 -1.26 -4.42 105.19 97.67 2bcb n GLY 18 Ca 0.15 0.44 -0.01 0.00 0.00 0.00 0.00 46.02 46.60 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 1.84 -2.84 0.00 1.61 -0.08 -1.26 -4.78 116.55 111.03 2bcb n ASP 19 Ca 0.09 0.39 0.01 0.00 -1.51 0.00 0.00 54.79 53.77 2bcb n ASP 19 Cb 0.35 -2.21 0.07 0.00 2.34 0.00 0.00 41.12 41.67 2bcb n ASP 19 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2bcb n PRO 20 N 0.31 0.03 0.04 -0.67 -0.04 -1.26 -1.24 135.00 132.18 2bcb n PRO 20 Ca -0.05 0.29 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 2bcb n PRO 20 Cb 0.07 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.24 2bcb n PRO 20 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2bcb n ASN 21 N -1.32 0.63 -4.39 3.54 5.15 -1.26 -4.23 115.26 113.37 2bcb n ASN 21 Ca 0.01 0.06 -0.32 0.00 -0.60 0.00 0.00 54.58 53.73 2bcb n ASN 21 Cb 0.02 0.15 -0.15 0.00 -0.53 0.00 0.00 39.78 39.28 2bcb n ASN 21 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2bcb s GLN 22 N -3.12 2.55 -0.53 1.20 1.11 -0.37 -3.79 119.66 116.70 2bcb s GLN 22 Ca 0.08 -0.79 -0.18 0.00 0.01 0.00 0.00 55.36 54.48 2bcb s GLN 22 Cb 0.15 -2.30 0.09 0.00 -1.01 0.00 0.00 33.01 29.93 2bcb s GLN 22 CO 0.71 0.51 0.59 -0.51 0.01 0.00 0.00 175.29 176.60 2bcb s LEU 23 N -0.44 5.41 1.00 2.90 1.43 0.10 -4.45 118.68 124.63 2bcb s LEU 23 Ca 0.05 -1.30 -0.12 0.00 -1.03 0.00 0.00 54.13 51.74 2bcb s LEU 23 Cb -0.12 -2.31 0.19 0.00 0.03 0.00 0.00 46.19 43.98 2bcb s LEU 23 CO 0.02 -0.92 1.08 -0.94 0.23 0.00 0.00 176.35 175.82 2bcb s SER 24 N 3.13 2.50 0.19 2.29 1.04 -1.26 -0.14 113.70 121.46 2bcb s SER 24 Ca 0.10 1.53 -0.12 0.00 0.48 0.00 0.00 55.95 57.94 2bcb s SER 24 Cb -0.23 -2.20 0.23 0.00 0.10 0.00 0.00 66.02 63.91 2bcb s SER 24 CO 0.08 -3.26 1.71 0.50 0.98 0.00 0.00 173.24 173.25 2bcb h LYS 25 N -1.98 0.22 -0.33 4.02 3.11 -1.93 0.23 116.57 119.91 2bcb h LYS 25 Ca -0.53 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.29 2bcb h LYS 25 Cb 1.30 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.47 2bcb h LYS 25 CO 0.52 0.14 0.17 1.49 -2.81 0.00 0.00 179.45 178.97 2bcb h GLU 26 N 0.22 0.46 -0.59 1.90 4.81 -1.90 -2.85 114.58 116.63 2bcb h GLU 26 Ca 0.27 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2bcb h GLU 26 Cb 0.39 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 2bcb h GLU 26 CO -0.37 0.40 0.37 1.49 -0.73 0.00 0.00 179.01 180.18 2bcb h GLU 27 N 0.40 0.72 -0.80 1.92 4.57 -1.51 -2.35 114.58 117.54 2bcb h GLU 27 Ca 0.11 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.33 2bcb h GLU 27 Cb 0.08 -0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 28.44 2bcb h GLU 27 CO -0.02 0.48 0.47 1.25 -1.18 0.00 0.00 179.01 180.01 2bcb h LEU 28 N 0.74 0.70 0.09 1.64 5.85 -0.46 -2.33 115.31 121.54 2bcb h LEU 28 Ca 0.23 0.03 0.01 0.00 0.84 0.00 0.00 57.88 59.00 2bcb h LEU 28 Cb -0.01 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2bcb h LEU 28 CO -0.08 0.43 -0.44 0.50 -0.34 0.00 0.00 178.44 178.51 2bcb h LYS 29 N 0.83 -0.59 -0.85 1.25 3.64 -1.19 0.58 116.57 120.23 2bcb h LYS 29 Ca 0.37 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.94 2bcb h LYS 29 Cb 0.26 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.12 2bcb h LYS 29 CO -0.21 -0.39 0.43 -0.07 -2.27 0.00 0.00 179.45 176.94 2bcb h LEU 30 N -0.61 0.50 0.16 5.20 3.38 -1.49 0.50 115.31 122.95 2bcb h LEU 30 Ca -0.00 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2bcb h LEU 30 Cb 0.62 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2bcb h LEU 30 CO -0.24 0.19 -0.31 0.25 0.09 0.00 0.00 178.44 178.41 2bcb h LEU 31 N 0.59 -0.89 -0.05 1.67 6.46 -0.76 0.63 115.31 122.96 2bcb h LEU 31 Ca 0.47 0.10 0.04 0.00 -0.12 0.00 0.00 57.88 58.37 2bcb h LEU 31 Cb 0.71 0.33 -0.05 0.00 -0.73 0.00 0.00 40.66 40.92 2bcb h LEU 31 CO -0.38 -0.41 -0.21 -0.07 -0.62 0.00 0.00 178.44 176.75 2bcb h LEU 32 N -0.56 -0.63 -0.28 2.25 3.38 0.09 -0.34 115.31 119.21 2bcb h LEU 32 Ca 0.02 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2bcb h LEU 32 Cb 0.57 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 2bcb h LEU 32 CO -0.16 -0.27 0.10 1.56 0.09 0.00 0.00 178.44 179.76 2bcb h GLN 33 N -0.31 0.22 0.01 1.13 4.20 -0.73 0.54 115.11 120.17 2bcb h GLN 33 Ca 0.08 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2bcb h GLN 33 Cb 0.41 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2bcb h GLN 33 CO -0.23 0.14 -0.01 1.15 -0.67 0.00 0.00 178.83 179.22 2bcb h THR 34 N 0.22 1.56 0.00 -0.54 2.02 -0.59 -3.42 112.91 112.17 2bcb h THR 34 Ca 0.13 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.43 2bcb h THR 34 Cb 0.09 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 2bcb h THR 34 CO -0.13 0.47 0.00 -0.62 0.37 0.00 0.00 175.52 175.61 2bcb n GLU 35 N -4.71 1.55 -2.65 6.66 4.71 -0.16 -4.84 120.64 121.20 2bcb n GLU 35 Ca -0.09 -1.08 -0.09 0.00 -0.01 0.00 0.00 57.16 55.89 2bcb n GLU 35 Cb 0.38 -0.93 0.03 0.00 -1.01 0.00 0.00 31.44 29.92 2bcb n GLU 35 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 2bcb n PHE 36 N -0.30 1.53 0.02 -0.32 3.72 0.13 -4.90 117.46 117.35 2bcb n PHE 36 Ca 0.00 -2.62 0.01 0.00 -0.05 0.00 0.00 57.45 54.79 2bcb n PHE 36 Cb 0.21 -0.30 0.34 0.00 -0.94 0.00 0.00 39.48 38.79 2bcb n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2bcb h PRO 37 N 2.80 0.47 -0.37 -1.08 0.13 -1.68 -3.15 132.00 129.13 2bcb h PRO 37 Ca -0.04 -0.09 0.08 0.00 -0.87 0.00 0.00 66.00 65.08 2bcb h PRO 37 Cb 1.19 -0.08 -0.09 0.00 0.13 0.00 0.00 31.00 32.16 2bcb h PRO 37 CO 0.47 0.48 -0.33 1.03 -0.23 0.00 0.00 178.00 179.42 2bcb h SER 38 N 0.46 -1.10 0.21 1.44 0.87 -1.90 0.68 113.55 114.21 2bcb h SER 38 Ca 0.10 0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.81 2bcb h SER 38 Cb 0.27 0.51 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2bcb h SER 38 CO 0.01 -0.33 -0.19 -0.07 -0.53 0.00 0.00 176.83 175.72 2bcb h LEU 39 N -0.27 0.00 -0.18 2.23 3.38 -1.94 0.18 115.31 118.72 2bcb h LEU 39 Ca 0.16 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2bcb h LEU 39 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2bcb h LEU 39 CO -0.52 0.19 -0.08 -0.07 0.09 0.00 0.00 178.44 178.05 2bcb h LEU 40 N 0.00 0.38 -1.24 1.67 3.38 -1.06 -2.48 115.31 115.95 2bcb h LEU 40 Ca -0.00 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 2bcb h LEU 40 Cb 0.35 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2bcb h LEU 40 CO 0.02 0.70 0.31 0.11 0.09 0.00 0.00 178.44 179.67 2bcb h LYS 41 N 0.06 0.83 -0.38 1.13 6.56 -0.40 -3.16 116.57 121.21 2bcb h LYS 41 Ca 0.04 -0.09 0.04 0.00 -1.06 0.00 0.00 60.65 59.57 2bcb h LYS 41 Cb 0.55 -0.16 -0.05 0.00 -0.57 0.00 0.00 32.23 32.00 2bcb h LYS 41 CO 0.02 0.62 -0.26 0.78 -2.06 0.00 0.00 179.45 178.56 2bcb h GLY 42 N 0.91 -1.81 0.00 3.86 0.00 -0.19 -3.49 103.07 102.35 2bcb h GLY 42 Ca 0.21 0.96 0.00 0.00 0.00 0.00 0.00 47.33 48.50 2bcb h GLY 42 CO -0.03 -0.54 0.00 0.61 0.00 0.00 0.00 176.54 176.58 2bcb n GLY 43 N -1.12 -0.49 7.00 4.60 0.00 -1.12 -5.08 105.19 108.97 2bcb n GLY 43 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2bcb n GLY 43 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bcb n SER 44 N 0.00 -2.07 -3.66 1.61 2.88 -1.26 -4.73 113.62 106.39 2bcb n SER 44 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2bcb n SER 44 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2bcb n SER 44 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2bcb s THR 45 N 0.00 0.07 0.24 2.46 -4.23 -1.26 -5.02 115.64 107.90 2bcb s THR 45 Ca 0.00 -0.59 -0.05 0.00 -1.18 0.00 0.00 61.69 59.87 2bcb s THR 45 Cb 0.00 -1.12 0.20 0.00 1.34 0.00 0.00 72.50 72.92 2bcb s THR 45 CO 0.00 -0.33 1.75 0.25 -0.54 0.00 0.00 174.62 175.75 2bcb h LEU 46 N 2.57 0.36 0.86 4.79 5.85 -1.98 0.70 115.31 128.46 2bcb h LEU 46 Ca -0.33 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 2bcb h LEU 46 Cb 1.24 0.04 0.01 0.00 0.37 0.00 0.00 40.66 42.32 2bcb h LEU 46 CO 0.47 0.17 -0.41 0.44 -0.34 0.00 0.00 178.44 178.76 2bcb h ASP 47 N 0.51 -0.98 -0.51 1.25 5.19 -1.97 0.17 116.42 120.08 2bcb h ASP 47 Ca 0.40 0.03 0.07 0.00 -0.62 0.00 0.00 57.03 56.91 2bcb h ASP 47 Cb 0.54 0.25 -0.06 0.00 0.18 0.00 0.00 39.33 40.25 2bcb h ASP 47 CO -0.35 -0.63 0.19 -0.33 -3.12 0.00 0.00 179.24 175.00 2bcb h GLU 48 N -1.30 0.36 0.93 3.56 4.39 -1.90 0.30 114.58 120.92 2bcb h GLU 48 Ca -0.12 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 2bcb h GLU 48 Cb 0.89 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2bcb h GLU 48 CO 0.19 0.24 -0.45 1.25 -1.16 0.00 0.00 179.01 179.09 2bcb h LEU 49 N 0.37 -1.06 -1.43 1.33 5.85 -0.82 0.80 115.31 120.36 2bcb h LEU 49 Ca 0.25 0.04 0.09 0.00 0.84 0.00 0.00 57.88 59.09 2bcb h LEU 49 Cb 0.26 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 2bcb h LEU 49 CO -0.24 -0.74 0.48 0.15 -0.34 0.00 0.00 178.44 177.74 2bcb h PHE 50 N -1.28 0.69 -0.37 1.25 3.57 -0.53 0.10 116.94 120.36 2bcb h PHE 50 Ca -0.13 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.28 2bcb h PHE 50 Cb 0.96 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 2bcb h PHE 50 CO 0.01 0.33 -0.21 0.93 -2.23 0.00 0.00 178.31 177.14 2bcb h GLU 51 N 0.65 0.80 -0.51 1.11 4.39 -0.13 0.40 114.58 121.29 2bcb h GLU 51 Ca 0.33 -0.36 0.03 0.00 0.34 0.00 0.00 59.36 59.70 2bcb h GLU 51 Cb 0.44 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 2bcb h GLU 51 CO -0.12 0.99 0.29 1.49 -1.16 0.00 0.00 179.01 180.50 2bcb h GLU 52 N 0.59 0.55 -0.14 2.33 4.81 0.25 -3.01 114.58 119.97 2bcb h GLU 52 Ca 0.08 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2bcb h GLU 52 Cb 0.77 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 2bcb h GLU 52 CO 0.06 0.36 0.04 -0.07 -0.73 0.00 0.00 179.01 178.67 2bcb h LEU 53 N 0.56 0.21 -5.63 1.64 3.38 -0.77 -3.31 115.31 111.39 2bcb h LEU 53 Ca 0.21 -0.21 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 2bcb h LEU 53 Cb 0.06 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2bcb h LEU 53 CO -0.12 0.36 3.24 -0.67 0.09 0.00 0.00 178.44 181.34 2bcb n ASP 54 N -4.85 6.26 -0.36 -0.43 -0.08 0.14 -4.68 116.55 112.56 2bcb n ASP 54 Ca -0.05 -2.79 0.00 0.00 -1.51 0.00 0.00 54.79 50.44 2bcb n ASP 54 Cb 0.15 -1.58 0.15 0.00 2.34 0.00 0.00 41.12 42.18 2bcb n ASP 54 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2bcb h LYS 55 N 5.46 1.22 -0.03 -0.67 1.57 -1.71 -2.13 116.57 120.29 2bcb h LYS 55 Ca 0.68 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 59.23 2bcb h LYS 55 Cb 0.47 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2bcb h LYS 55 CO 1.79 0.81 -0.68 -2.95 -0.57 0.00 0.00 179.45 177.84 2bcb h ASN 56 N 1.26 0.17 -3.19 0.86 7.08 -1.93 -3.49 115.58 116.34 2bcb h ASN 56 Ca 0.38 -0.11 0.00 0.00 -3.08 0.00 0.00 56.30 53.49 2bcb h ASN 56 Cb -0.03 -0.05 0.00 0.00 -2.08 0.00 0.00 38.32 36.15 2bcb h ASN 56 CO -0.11 0.80 -0.01 0.61 -2.08 0.00 0.00 177.43 176.64 2bcb n GLY 57 N 0.43 -0.50 0.00 9.14 0.00 -0.80 -5.04 105.19 108.42 2bcb n GLY 57 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.87 2.92 0.00 1.61 5.68 -1.26 -5.01 116.55 119.62 2bcb n ASP 58 Ca 0.00 -0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.13 2bcb n ASP 58 Cb 0.34 0.90 0.00 0.00 -1.14 0.00 0.00 41.12 41.22 2bcb n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bcb n GLY 59 N 1.78 1.52 3.37 6.12 0.00 -1.26 -5.08 105.19 111.64 2bcb n GLY 59 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 1.53 0.41 1.61 8.01 -1.26 -3.42 118.70 125.58 2bcb s GLU 60 Ca 0.00 -1.84 0.08 0.00 0.01 0.00 0.00 54.97 53.21 2bcb s GLU 60 Cb 0.00 -0.48 -0.00 0.00 -4.31 0.00 0.00 34.13 29.34 2bcb s GLU 60 CO 0.00 -0.27 0.48 0.08 0.01 0.00 0.00 175.26 175.55 2bcb s VAL 61 N -3.56 2.92 0.17 2.63 1.01 0.81 -4.71 120.40 119.66 2bcb s VAL 61 Ca 0.37 -1.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 2bcb s VAL 61 Cb 0.08 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 2bcb s VAL 61 CO 0.15 -0.01 0.27 -0.94 0.00 0.00 0.00 175.10 174.56 2bcb s SER 62 N -4.24 0.06 0.29 3.32 1.04 -1.26 0.02 113.70 112.92 2bcb s SER 62 Ca 0.51 -0.93 0.03 0.00 0.48 0.00 0.00 55.95 56.04 2bcb s SER 62 Cb -0.07 0.43 0.68 0.00 0.10 0.00 0.00 66.02 67.16 2bcb s SER 62 CO 0.31 -0.89 1.72 0.15 0.98 0.00 0.00 173.24 175.51 2bcb h PHE 63 N 2.56 0.75 -0.55 5.02 3.57 -1.97 0.94 116.94 127.25 2bcb h PHE 63 Ca -0.32 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.28 2bcb h PHE 63 Cb 1.23 -0.19 -0.08 0.00 2.79 0.00 0.00 35.95 39.69 2bcb h PHE 63 CO 0.40 0.05 -0.50 1.49 -2.23 0.00 0.00 178.31 177.52 2bcb h GLU 64 N 0.51 -0.21 -0.19 1.11 4.57 -1.96 -1.12 114.58 117.28 2bcb h GLU 64 Ca 0.54 0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.62 2bcb h GLU 64 Cb 0.94 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2bcb h GLU 64 CO -0.46 -0.14 -0.33 0.93 -1.18 0.00 0.00 179.01 177.83 2bcb h GLU 65 N -0.22 0.56 -1.15 1.92 4.39 -1.63 -3.12 114.58 115.34 2bcb h GLU 65 Ca 0.09 -0.35 0.33 0.00 0.34 0.00 0.00 59.36 59.78 2bcb h GLU 65 Cb 0.46 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 2bcb h GLU 65 CO -0.63 0.95 0.83 0.35 -1.16 0.00 0.00 179.01 179.35 2bcb h PHE 66 N 0.23 0.00 -0.72 4.33 3.57 -0.24 0.12 116.94 124.24 2bcb h PHE 66 Ca 0.01 0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.70 2bcb h PHE 66 Cb 0.91 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 2bcb h PHE 66 CO 0.09 0.00 0.50 1.96 -2.23 0.00 0.00 178.31 178.63 2bcb h GLN 67 N 0.00 0.14 -0.92 1.11 1.08 -1.16 0.41 115.11 115.77 2bcb h GLN 67 Ca 0.54 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.74 2bcb h GLN 67 Cb 2.21 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 29.56 2bcb h GLN 67 CO -0.01 0.09 0.59 0.28 -0.95 0.00 0.00 178.83 178.83 2bcb h VAL 68 N 0.14 1.24 -0.01 -0.54 2.07 -0.97 0.60 116.25 118.77 2bcb h VAL 68 Ca 0.35 -0.48 -0.26 0.00 0.82 0.00 0.00 66.70 67.13 2bcb h VAL 68 Cb 1.17 -0.09 0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2bcb h VAL 68 CO -0.05 0.24 -1.01 0.25 0.02 0.00 0.00 177.57 177.02 2bcb h LEU 69 N 1.26 0.88 -1.40 2.57 6.46 -0.44 0.46 115.31 125.10 2bcb h LEU 69 Ca 0.33 -0.69 0.20 0.00 -0.12 0.00 0.00 57.88 57.60 2bcb h LEU 69 Cb -0.11 -0.27 -0.07 0.00 -0.73 0.00 0.00 40.66 39.48 2bcb h LEU 69 CO -0.07 1.49 0.60 0.58 -0.62 0.00 0.00 178.44 180.43 2bcb h VAL 70 N 0.39 0.69 -0.05 1.05 2.07 -0.42 0.16 116.25 120.14 2bcb h VAL 70 Ca -0.12 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.12 2bcb h VAL 70 Cb 1.66 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2bcb h VAL 70 CO 0.20 0.09 -0.39 0.50 0.02 0.00 0.00 177.57 177.99 2bcb h LYS 71 N 0.50 0.35 0.00 1.57 1.63 -0.61 -3.34 116.57 116.67 2bcb h LYS 71 Ca 0.49 -0.31 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 2bcb h LYS 71 Cb 1.09 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2bcb h LYS 71 CO -0.22 0.97 -0.06 0.87 -3.45 0.00 0.00 179.45 177.56 2bcb h LYS 72 N -0.17 0.00 0.00 1.90 1.79 0.15 -0.55 116.57 119.69 2bcb h LYS 72 Ca -0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 2bcb h LYS 72 Cb 1.07 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2bcb h LYS 72 CO 0.08 0.06 -0.03 -0.84 -1.08 0.00 0.00 179.45 177.64 2bcb h ILE 73 N 0.00 0.83 -0.41 1.86 3.07 -1.08 -0.28 117.51 121.50 2bcb h ILE 73 Ca -0.00 -0.10 -0.23 0.00 1.55 0.00 0.00 64.86 66.08 2bcb h ILE 73 Cb 0.32 1.06 -0.14 0.00 -0.27 0.00 0.00 36.82 37.79 2bcb h ILE 73 CO 0.01 0.03 -0.09 -1.20 -1.05 0.00 0.00 178.15 175.84 2bcb n SER 74 N -4.23 2.81 0.00 2.16 7.64 -0.27 -5.15 113.62 116.58 2bcb n SER 74 Ca -0.03 -3.80 0.00 0.00 1.01 0.00 0.00 58.87 56.05 2bcb n SER 74 Cb 0.11 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 2bcb n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03