#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2byk n LEU 8 N 0.00 0.17 -0.11 -2.12 7.94 -1.26 -4.66 117.00 116.96 2byk n LEU 8 Ca 0.00 -0.25 -0.14 0.00 -1.11 0.00 0.00 56.01 54.51 2byk n LEU 8 Cb 0.00 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.83 2byk n LEU 8 CO 0.00 0.04 -1.23 -0.46 -1.11 0.00 0.00 177.39 174.63 2byk n ASN 9 N -0.16 1.66 -4.10 1.96 6.94 -1.26 -4.92 115.26 115.37 2byk n ASN 9 Ca 0.00 -0.09 -0.30 0.00 -0.02 0.00 0.00 54.58 54.16 2byk n ASN 9 Cb 0.09 -0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.34 2byk n ASN 9 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2byk s LEU 10 N -6.11 1.89 0.73 -4.53 1.43 -1.26 -5.14 118.68 105.69 2byk s LEU 10 Ca -0.26 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.19 2byk s LEU 10 Cb 0.07 -1.25 0.04 0.00 0.03 0.00 0.00 46.19 45.09 2byk s LEU 10 CO 0.61 0.04 1.18 -2.84 0.23 0.00 0.00 176.35 175.57 2byk s PRO 11 N 0.93 2.21 0.05 1.29 0.02 -1.26 -3.74 135.00 134.51 2byk s PRO 11 Ca -0.06 1.64 0.20 0.00 0.02 0.00 0.00 61.00 62.81 2byk s PRO 11 Cb -0.15 -1.85 0.85 0.00 0.02 0.00 0.00 34.50 33.36 2byk s PRO 11 CO -0.02 -1.76 1.65 0.09 -0.33 0.00 0.00 177.00 176.63 2byk n ASN 12 N -2.78 0.16 0.15 2.53 4.13 -1.26 -1.09 115.26 117.09 2byk n ASN 12 Ca 0.12 0.53 0.12 0.00 1.68 0.00 0.00 54.58 57.04 2byk n ASN 12 Cb 0.51 -0.57 0.21 0.00 -1.54 0.00 0.00 39.78 38.39 2byk n ASN 12 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2byk h ALA 13 N 2.59 0.86 0.00 5.41 0.00 -1.98 -2.58 119.26 123.56 2byk h ALA 13 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 2byk h ALA 13 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2byk h ALA 13 CO 0.00 0.00 -1.93 0.28 0.00 0.00 0.00 179.25 177.60 2byk n VAL 14 N -2.65 1.53 0.24 0.00 0.31 -0.43 -3.19 118.33 114.14 2byk n VAL 14 Ca 0.04 -0.21 0.16 0.00 -0.01 0.00 0.00 64.34 64.31 2byk n VAL 14 Cb 0.49 -1.98 0.84 0.00 -0.91 0.00 0.00 33.84 32.28 2byk n VAL 14 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2byk h ILE 15 N -1.00 0.00 0.06 2.52 2.04 -1.22 0.34 117.51 120.24 2byk h ILE 15 Ca -0.52 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 2byk h ILE 15 Cb 1.44 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2byk h ILE 15 CO -0.32 0.00 -0.03 1.23 0.00 0.00 0.00 178.15 179.04 2byk h GLY 16 N 0.00 -0.08 2.00 5.37 0.00 -1.58 -2.50 103.07 106.27 2byk h GLY 16 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 2byk h GLY 16 CO 0.00 -0.03 -0.24 3.21 0.00 0.00 0.00 176.54 179.47 2byk h ARG 17 N -0.95 0.00 0.13 4.80 3.08 -1.21 -2.41 114.38 117.82 2byk h ARG 17 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2byk h ARG 17 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2byk h ARG 17 CO 0.01 0.24 -0.06 1.25 -1.07 0.00 0.00 179.97 180.35 2byk h LEU 18 N 0.00 -0.15 -1.30 3.04 5.85 -0.45 -1.13 115.31 121.17 2byk h LEU 18 Ca -0.00 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 2byk h LEU 18 Cb 0.46 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2byk h LEU 18 CO 0.03 0.20 -0.34 0.40 -0.34 0.00 0.00 178.44 178.39 2byk h ILE 19 N -0.50 1.25 -0.05 4.05 2.04 -1.41 -2.78 117.51 120.10 2byk h ILE 19 Ca -0.02 -1.18 -0.15 0.00 1.00 0.00 0.00 64.86 64.52 2byk h ILE 19 Cb 0.40 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 2byk h ILE 19 CO 0.03 0.34 -0.62 0.11 0.00 0.00 0.00 178.15 178.00 2byk h LYS 20 N 0.02 0.19 0.00 2.37 1.57 -1.32 -2.72 116.57 116.68 2byk h LYS 20 Ca -0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2byk h LYS 20 Cb 0.61 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2byk h LYS 20 CO 0.04 0.75 0.00 0.39 -0.57 0.00 0.00 179.45 180.07 2byk n GLU 21 N -3.85 0.12 -0.00 3.15 1.02 -0.44 -3.44 120.64 117.21 2byk n GLU 21 Ca -0.02 0.15 0.10 0.00 -0.02 0.00 0.00 57.16 57.37 2byk n GLU 21 Cb 0.63 -1.66 -0.12 0.00 -0.02 0.00 0.00 31.44 30.27 2byk n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2byk n ALA 22 N -1.64 4.24 -2.71 0.62 0.00 -1.07 -4.99 120.51 114.96 2byk n ALA 22 Ca 0.06 -0.55 -0.24 0.00 0.00 0.00 0.00 53.44 52.71 2byk n ALA 22 Cb 0.35 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 2byk n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2byk s LEU 23 N -3.24 3.45 0.63 0.00 1.43 -1.05 -5.10 118.68 114.81 2byk s LEU 23 Ca 0.05 -0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 2byk s LEU 23 Cb 0.15 -2.02 -0.06 0.00 0.03 0.00 0.00 46.19 44.28 2byk s LEU 23 CO 0.83 0.02 0.64 -2.65 0.23 0.00 0.00 176.35 175.42 2byk n PRO 24 N -0.70 0.53 -0.37 1.29 -0.02 -1.26 -4.81 135.00 129.65 2byk n PRO 24 Ca -0.08 0.21 0.30 0.00 -2.02 0.00 0.00 63.50 61.92 2byk n PRO 24 Cb 0.57 -1.87 0.49 0.00 -0.02 0.00 0.00 33.50 32.68 2byk n PRO 24 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2byk n GLU 25 N -0.57 -0.02 -0.04 -0.52 -0.58 -1.26 -0.44 120.64 117.20 2byk n GLU 25 Ca 0.12 0.82 0.02 0.00 -0.42 0.00 0.00 57.16 57.70 2byk n GLU 25 Cb 0.48 -1.70 0.03 0.00 -0.57 0.00 0.00 31.44 29.68 2byk n GLU 25 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2byk n SER 26 N -3.83 1.56 -4.69 1.62 7.64 -1.26 -5.09 113.62 109.57 2byk n SER 26 Ca 0.29 -2.01 -0.29 0.00 1.01 0.00 0.00 58.87 57.86 2byk n SER 26 Cb 1.17 -0.09 0.15 0.00 -1.01 0.00 0.00 64.21 64.43 2byk n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2byk s ALA 27 N -1.09 1.30 0.16 -0.43 0.00 0.41 -5.09 121.76 117.01 2byk s ALA 27 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 2byk s ALA 27 Cb 0.05 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2byk s ALA 27 CO 0.01 -2.56 0.12 -1.54 0.00 0.00 0.00 175.76 171.78 2byk s SER 28 N -3.34 0.22 -0.03 0.00 1.04 -1.26 -4.97 113.70 105.36 2byk s SER 28 Ca 0.64 -1.22 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 2byk s SER 28 Cb -0.19 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.31 2byk s SER 28 CO 0.58 -0.80 0.04 -0.69 0.98 0.00 0.00 173.24 173.35 2byk s VAL 29 N -4.07 -0.05 0.93 5.02 1.01 -1.26 -5.13 120.40 116.84 2byk s VAL 29 Ca 0.28 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.48 2byk s VAL 29 Cb 0.07 -0.15 0.15 0.00 0.00 0.00 0.00 36.38 36.45 2byk s VAL 29 CO 0.05 0.15 1.13 -0.94 0.00 0.00 0.00 175.10 175.49 2byk s SER 30 N 1.71 2.86 0.40 3.32 1.04 -1.26 -4.77 113.70 117.00 2byk s SER 30 Ca -0.01 2.07 0.12 0.00 0.48 0.00 0.00 55.95 58.62 2byk s SER 30 Cb -0.12 -2.53 0.82 0.00 0.10 0.00 0.00 66.02 64.29 2byk s SER 30 CO -0.03 -3.12 1.90 0.11 0.98 0.00 0.00 173.24 173.08 2byk h LYS 31 N -1.88 0.07 -0.20 4.02 1.57 -2.01 -1.93 116.57 116.21 2byk h LYS 31 Ca -0.45 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.19 2byk h LYS 31 Cb 1.27 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 2byk h LYS 31 CO 0.44 0.32 -0.38 1.49 -0.57 0.00 0.00 179.45 180.75 2byk h GLU 32 N 0.07 0.45 0.20 3.15 4.57 -1.99 -1.85 114.58 119.19 2byk h GLU 32 Ca 0.01 -0.21 -0.31 0.00 -1.18 0.00 0.00 59.36 57.67 2byk h GLU 32 Cb 0.48 -0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.09 2byk h GLU 32 CO 0.03 0.76 -1.41 0.00 -1.18 0.00 0.00 179.01 177.22 2byk h ALA 33 N 1.22 -0.04 -0.77 2.92 0.00 -1.89 -2.51 119.26 118.19 2byk h ALA 33 Ca 0.04 -0.92 0.11 0.00 0.00 0.00 0.00 54.91 54.14 2byk h ALA 33 Cb 0.83 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2byk h ALA 33 CO 0.07 0.72 0.51 -0.09 0.00 0.00 0.00 179.25 180.45 2byk h ARG 34 N -0.01 0.63 -0.06 0.00 2.43 -1.34 0.44 114.38 116.46 2byk h ARG 34 Ca -0.26 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 58.66 2byk h ARG 34 Cb 2.01 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 31.43 2byk h ARG 34 CO 0.21 0.42 -0.80 0.00 -1.51 0.00 0.00 179.97 178.28 2byk h ALA 35 N 1.62 0.18 -0.55 2.80 0.00 -1.35 -3.07 119.26 118.89 2byk h ALA 35 Ca 0.36 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2byk h ALA 35 Cb 0.53 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2byk h ALA 35 CO -0.14 0.57 0.09 0.00 0.00 0.00 0.00 179.25 179.77 2byk h ALA 36 N 0.44 1.13 -0.68 0.00 0.00 -0.82 -2.04 119.26 117.28 2byk h ALA 36 Ca -0.08 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2byk h ALA 36 Cb 1.46 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2byk h ALA 36 CO 0.16 0.58 0.25 0.82 0.00 0.00 0.00 179.25 181.06 2byk h ILE 37 N 0.83 1.24 -0.18 0.00 2.04 -0.98 -0.12 117.51 120.34 2byk h ILE 37 Ca 0.17 -0.78 -0.17 0.00 1.00 0.00 0.00 64.86 65.08 2byk h ILE 37 Cb 0.37 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2byk h ILE 37 CO 0.01 0.31 -0.59 0.00 0.00 0.00 0.00 178.15 177.88 2byk h ALA 38 N 1.28 0.64 -0.44 1.87 0.00 -1.40 -0.74 119.26 120.46 2byk h ALA 38 Ca 0.23 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 2byk h ALA 38 Cb 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2byk h ALA 38 CO -0.02 0.70 0.05 -0.09 0.00 0.00 0.00 179.25 179.89 2byk h ARG 39 N 0.44 0.75 -0.38 0.00 2.43 -1.02 -2.79 114.38 113.79 2byk h ARG 39 Ca 0.00 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 58.86 2byk h ARG 39 Cb 1.14 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 2byk h ARG 39 CO 0.11 0.78 -0.18 0.00 -1.51 0.00 0.00 179.97 179.17 2byk h ALA 40 N 0.93 0.96 -0.38 2.80 0.00 -0.87 -2.58 119.26 120.13 2byk h ALA 40 Ca 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2byk h ALA 40 Cb 0.41 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2byk h ALA 40 CO 0.01 0.61 0.15 0.00 0.00 0.00 0.00 179.25 180.02 2byk h ALA 41 N 1.15 1.56 -0.01 0.00 0.00 -0.99 0.27 119.26 121.24 2byk h ALA 41 Ca 0.10 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2byk h ALA 41 Cb 0.66 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2byk h ALA 41 CO 0.05 0.35 -0.59 0.77 0.00 0.00 0.00 179.25 179.83 2byk h SER 42 N 0.53 0.04 0.42 0.00 0.02 -1.22 -1.65 113.55 111.70 2byk h SER 42 Ca 0.13 -0.02 -0.30 0.00 -0.84 0.00 0.00 61.79 60.76 2byk h SER 42 Cb 0.11 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 62.66 2byk h SER 42 CO -0.01 0.62 -1.31 0.58 -1.14 0.00 0.00 176.83 175.56 2byk h VAL 43 N 0.03 1.39 -0.12 2.27 2.07 -0.92 -2.72 116.25 118.25 2byk h VAL 43 Ca -0.01 -2.83 0.03 0.00 0.82 0.00 0.00 66.70 64.72 2byk h VAL 43 Cb 1.04 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 33.71 2byk h VAL 43 CO 0.08 0.84 -0.07 0.15 0.02 0.00 0.00 177.57 178.59 2byk h PHE 44 N 0.13 -0.16 -0.24 1.57 3.57 -0.38 0.25 116.94 121.69 2byk h PHE 44 Ca -0.18 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.36 2byk h PHE 44 Cb 2.02 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 40.82 2byk h PHE 44 CO 0.09 -0.11 0.05 0.00 -2.23 0.00 0.00 178.31 176.12 2byk h ALA 45 N 1.05 0.25 -0.65 2.41 0.00 -1.35 0.22 119.26 121.18 2byk h ALA 45 Ca 0.07 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2byk h ALA 45 Cb 0.16 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2byk h ALA 45 CO -0.16 -0.37 0.11 0.82 0.00 0.00 0.00 179.25 179.65 2byk h ILE 46 N 0.15 1.26 0.09 0.00 2.04 -1.24 -1.70 117.51 118.11 2byk h ILE 46 Ca 0.11 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 2byk h ILE 46 Cb 0.10 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2byk h ILE 46 CO -0.14 0.39 -0.04 0.15 0.00 0.00 0.00 178.15 178.51 2byk h PHE 47 N 1.00 -0.11 -0.98 1.37 -0.00 -0.08 -0.89 116.94 117.26 2byk h PHE 47 Ca 0.20 -0.00 0.03 0.00 -0.00 0.00 0.00 57.97 58.20 2byk h PHE 47 Cb 0.44 0.04 -0.06 0.00 -0.00 0.00 0.00 35.95 36.37 2byk h PHE 47 CO 0.03 0.13 0.64 0.28 -0.00 0.00 0.00 178.31 179.39 2byk h VAL 48 N -0.33 1.19 -0.28 1.41 2.07 -0.51 0.22 116.25 120.02 2byk h VAL 48 Ca -0.01 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2byk h VAL 48 Cb 0.28 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2byk h VAL 48 CO 0.02 0.23 0.08 0.74 0.02 0.00 0.00 177.57 178.66 2byk h THR 49 N 1.26 1.20 0.33 2.57 2.02 -1.24 -0.45 112.91 118.60 2byk h THR 49 Ca 0.38 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2byk h THR 49 Cb -0.03 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2byk h THR 49 CO -0.11 0.22 -0.33 -1.28 0.37 0.00 0.00 175.52 174.39 2byk h SER 50 N 0.28 -0.88 -0.66 4.18 0.87 -0.64 -0.04 113.55 116.66 2byk h SER 50 Ca 0.09 0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 2byk h SER 50 Cb 0.25 0.30 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 2byk h SER 50 CO -0.00 -0.46 0.44 0.28 -0.53 0.00 0.00 176.83 176.55 2byk h SER 51 N -0.68 0.66 0.33 6.23 0.02 -0.49 -2.14 113.55 117.48 2byk h SER 51 Ca -0.02 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.74 2byk h SER 51 Cb 0.62 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 2byk h SER 51 CO -0.06 0.45 -0.79 0.28 -1.14 0.00 0.00 176.83 175.57 2byk h SER 52 N 0.76 0.44 -0.27 3.07 0.02 -0.76 -1.89 113.55 114.93 2byk h SER 52 Ca 0.27 -0.31 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 2byk h SER 52 Cb 0.12 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2byk h SER 52 CO -0.08 1.07 0.02 0.74 -1.14 0.00 0.00 176.83 177.43 2byk h THR 53 N 0.23 1.20 -0.17 -2.27 2.02 -0.38 0.17 112.91 113.71 2byk h THR 53 Ca -0.04 -0.79 -0.11 0.00 0.77 0.00 0.00 66.41 66.24 2byk h THR 53 Cb 1.38 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2byk h THR 53 CO 0.13 0.27 -0.33 0.00 0.37 0.00 0.00 175.52 175.97 2byk h ALA 54 N 1.47 0.27 0.56 6.16 0.00 -1.31 -2.26 119.26 124.16 2byk h ALA 54 Ca 0.12 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2byk h ALA 54 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2byk h ALA 54 CO 0.01 0.32 -0.31 1.25 0.00 0.00 0.00 179.25 180.52 2byk h LEU 55 N 0.17 -0.75 0.01 0.00 5.85 -0.90 -1.76 115.31 117.94 2byk h LEU 55 Ca 0.01 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2byk h LEU 55 Cb 0.92 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 2byk h LEU 55 CO 0.07 -0.50 -0.49 0.00 -0.34 0.00 0.00 178.44 177.18 2byk h ALA 56 N -0.39 -0.92 -1.07 1.25 0.00 -0.74 -0.36 119.26 117.03 2byk h ALA 56 Ca -0.07 -0.08 0.30 0.00 0.00 0.00 0.00 54.91 55.06 2byk h ALA 56 Cb 0.64 0.91 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 2byk h ALA 56 CO 0.10 -1.06 0.75 1.25 0.00 0.00 0.00 179.25 180.29 2byk h HIS 57 N -0.62 0.11 -0.07 0.00 -0.00 -1.34 -0.10 115.15 113.11 2byk h HIS 57 Ca 0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.34 2byk h HIS 57 Cb 0.66 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.04 2byk h HIS 57 CO -0.50 0.01 -0.13 -0.22 -0.00 0.00 0.00 177.93 177.09 2byk h LYS 58 N 0.07 0.22 0.00 5.26 3.64 -0.16 -2.40 116.57 123.19 2byk h LYS 58 Ca 0.52 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2byk h LYS 58 Cb 1.96 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 2byk h LYS 58 CO -0.05 0.71 0.00 1.04 -2.27 0.00 0.00 179.45 178.88 2byk n GLN 59 N -4.62 0.74 -2.62 1.90 6.02 -0.16 -4.87 117.38 113.77 2byk n GLN 59 Ca -0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.89 2byk n GLN 59 Cb 0.36 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.56 2byk n GLN 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2byk n ASN 60 N -0.56 -6.46 -4.06 1.08 2.85 -0.56 -5.06 115.26 102.48 2byk n ASN 60 Ca 0.02 0.14 -0.19 0.00 -0.11 0.00 0.00 54.58 54.45 2byk n ASN 60 Cb 0.01 -4.31 -0.14 0.00 1.24 0.00 0.00 39.78 36.58 2byk n ASN 60 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2byk s HIS 61 N -2.67 0.93 -0.08 1.20 3.76 -0.91 -4.96 115.29 112.56 2byk s HIS 61 Ca 0.08 -0.24 -0.25 0.00 -0.15 0.00 0.00 55.06 54.50 2byk s HIS 61 Cb -0.02 -0.58 -0.26 0.00 1.11 0.00 0.00 32.58 32.83 2byk s HIS 61 CO 0.58 -0.01 0.93 0.87 -0.85 0.00 0.00 174.74 176.26 2byk h LYS 62 N 5.52 0.14 -6.22 1.40 6.56 -1.97 -3.36 116.57 118.65 2byk h LYS 62 Ca -0.33 -0.19 -0.56 0.00 -1.06 0.00 0.00 60.65 58.51 2byk h LYS 62 Cb 1.18 0.06 -0.09 0.00 -0.57 0.00 0.00 32.23 32.81 2byk h LYS 62 CO 0.47 1.00 -0.64 0.99 -2.06 0.00 0.00 179.45 179.21 2byk s THR 63 N -2.75 3.50 0.02 -0.16 2.01 -1.26 -4.99 115.64 112.03 2byk s THR 63 Ca -0.16 -1.86 -0.22 0.00 0.31 0.00 0.00 61.69 59.76 2byk s THR 63 Cb -0.00 -2.87 -0.06 0.00 0.01 0.00 0.00 72.50 69.59 2byk s THR 63 CO 0.74 -0.35 0.66 -0.63 -0.69 0.00 0.00 174.62 174.35 2byk s ILE 64 N -2.27 4.82 0.33 1.82 1.01 -1.26 -4.93 121.20 120.72 2byk s ILE 64 Ca 0.31 1.40 0.08 0.00 0.00 0.00 0.00 60.65 62.45 2byk s ILE 64 Cb -0.07 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 2byk s ILE 64 CO 0.20 0.41 0.12 0.42 0.00 0.00 0.00 174.94 176.09 2byk s THR 65 N -0.21 3.09 0.44 2.92 -4.23 -1.26 -4.99 115.64 111.40 2byk s THR 65 Ca 0.34 -1.73 0.10 0.00 -1.18 0.00 0.00 61.69 59.22 2byk s THR 65 Cb -0.19 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 70.95 2byk s THR 65 CO 0.20 -0.21 2.09 0.00 -0.54 0.00 0.00 174.62 176.15 2byk h ALA 66 N 1.60 1.79 -0.20 3.99 0.00 -1.99 -0.45 119.26 124.00 2byk h ALA 66 Ca -0.44 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2byk h ALA 66 Cb 1.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2byk h ALA 66 CO 0.63 0.19 0.11 0.87 0.00 0.00 0.00 179.25 181.05 2byk h LYS 67 N 0.40 0.27 -0.43 0.00 1.57 -1.99 -1.38 116.57 115.01 2byk h LYS 67 Ca 0.11 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 2byk h LYS 67 Cb -0.04 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 2byk h LYS 67 CO -0.02 0.25 0.17 -0.44 -0.57 0.00 0.00 179.45 178.84 2byk h ASP 68 N 0.22 0.21 0.08 0.86 3.45 -1.51 0.14 116.42 119.87 2byk h ASP 68 Ca 0.07 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.57 2byk h ASP 68 Cb 0.05 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 2byk h ASP 68 CO -0.01 0.16 -0.08 0.40 -1.57 0.00 0.00 179.24 178.13 2byk h ILE 69 N 0.35 0.81 -0.49 0.35 2.04 -1.03 -0.84 117.51 118.71 2byk h ILE 69 Ca 0.19 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.02 2byk h ILE 69 Cb 0.16 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2byk h ILE 69 CO -0.18 0.00 0.18 -0.07 0.00 0.00 0.00 178.15 178.08 2byk h LEU 70 N -0.18 0.69 -0.76 1.44 3.38 -1.00 -0.46 115.31 118.41 2byk h LEU 70 Ca 0.01 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.88 2byk h LEU 70 Cb 0.18 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 2byk h LEU 70 CO -0.03 0.69 0.42 1.56 0.09 0.00 0.00 178.44 181.17 2byk h GLN 71 N 0.65 0.71 -0.19 1.13 4.20 -0.56 -2.34 115.11 118.70 2byk h GLN 71 Ca 0.16 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2byk h GLN 71 Cb 0.23 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2byk h GLN 71 CO -0.01 0.47 0.05 1.15 -0.67 0.00 0.00 178.83 179.82 2byk h THR 72 N 0.73 1.20 -0.24 -0.54 2.02 -0.66 -2.48 112.91 112.93 2byk h THR 72 Ca 0.36 -0.63 0.07 0.00 0.77 0.00 0.00 66.41 66.98 2byk h THR 72 Cb 0.32 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2byk h THR 72 CO -0.24 0.20 0.20 -0.07 0.37 0.00 0.00 175.52 175.98 2byk h LEU 73 N 0.13 0.00 -0.16 2.58 3.38 -0.71 -1.36 115.31 119.18 2byk h LEU 73 Ca 0.06 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 2byk h LEU 73 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2byk h LEU 73 CO -0.00 0.00 -0.47 0.74 0.09 0.00 0.00 178.44 178.80 2byk h THR 74 N 0.00 1.34 0.00 0.22 2.02 -1.00 0.51 112.91 116.00 2byk h THR 74 Ca 0.12 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.56 2byk h THR 74 Cb 0.51 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 2byk h THR 74 CO -0.00 0.53 0.00 -0.62 0.37 0.00 0.00 175.52 175.80 2byk n GLU 75 N -4.22 0.09 -0.33 6.66 1.02 -0.61 -2.47 120.64 120.79 2byk n GLU 75 Ca -0.07 0.16 0.12 0.00 -0.02 0.00 0.00 57.16 57.35 2byk n GLU 75 Cb 0.58 -1.62 0.30 0.00 -0.02 0.00 0.00 31.44 30.68 2byk n GLU 75 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2byk n LEU 76 N -1.77 3.83 -0.33 -4.62 4.77 -0.63 -4.94 117.00 113.31 2byk n LEU 76 Ca 0.05 -1.85 -0.04 0.00 -0.03 0.00 0.00 56.01 54.14 2byk n LEU 76 Cb 0.31 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 2byk n LEU 76 CO 0.24 0.92 -0.04 0.47 -1.33 0.00 0.00 177.39 177.65 2byk n ASP 77 N 1.62 -3.82 -1.99 -1.43 8.00 -1.03 -4.88 116.55 113.03 2byk n ASP 77 Ca 0.23 0.11 -0.23 0.00 0.71 0.00 0.00 54.79 55.61 2byk n ASP 77 Cb 0.62 -1.70 0.14 0.00 -0.02 0.00 0.00 41.12 40.16 2byk n ASP 77 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2byk n PHE 78 N -2.78 2.62 0.26 1.24 3.01 0.18 -4.66 117.46 117.33 2byk n PHE 78 Ca -0.04 -2.19 0.18 0.00 1.01 0.00 0.00 57.45 56.40 2byk n PHE 78 Cb 0.19 -0.93 0.87 0.00 -0.01 0.00 0.00 39.48 39.60 2byk n PHE 78 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 2byk h GLU 79 N 1.42 0.00 0.00 -1.08 4.11 -1.71 -1.30 114.58 116.03 2byk h GLU 79 Ca 0.50 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.91 2byk h GLU 79 Cb 1.83 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.08 2byk h GLU 79 CO 1.05 0.00 -0.10 0.66 0.07 0.00 0.00 179.01 180.69 2byk h SER 80 N 0.00 0.00 -0.02 3.06 4.64 -1.89 -3.20 113.55 116.13 2byk h SER 80 Ca 0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2byk h SER 80 Cb 0.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2byk h SER 80 CO -0.00 0.10 -0.01 -0.26 -0.87 0.00 0.00 176.83 175.79 2byk h PHE 81 N 0.00 0.06 -0.53 4.77 -1.00 -1.61 -3.37 116.94 115.25 2byk h PHE 81 Ca -0.00 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.81 2byk h PHE 81 Cb 0.72 -0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.20 2byk h PHE 81 CO 0.00 0.46 -0.31 0.28 -1.61 0.00 0.00 178.31 177.13 2byk n VAL 82 N -4.85 -0.36 -0.08 -0.55 0.31 -1.21 -1.63 118.33 109.96 2byk n VAL 82 Ca -0.08 1.29 -0.10 0.00 -0.01 0.00 0.00 64.34 65.43 2byk n VAL 82 Cb 0.23 -1.60 -0.05 0.00 -0.91 0.00 0.00 33.84 31.52 2byk n VAL 82 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2byk h PRO 83 N 0.00 -0.36 -0.43 5.55 0.11 -1.77 0.16 132.00 135.26 2byk h PRO 83 Ca 0.09 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 2byk h PRO 83 Cb 0.22 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 2byk h PRO 83 CO -0.50 -0.24 0.19 1.03 -0.21 0.00 0.00 178.00 178.27 2byk h SER 84 N -0.37 0.58 0.03 -2.05 0.87 -1.53 -1.96 113.55 109.12 2byk h SER 84 Ca 0.12 -0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2byk h SER 84 Cb 0.59 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2byk h SER 84 CO -0.51 0.57 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.28 2byk h LEU 85 N 0.55 0.00 -0.01 2.23 3.38 -0.94 0.86 115.31 121.38 2byk h LEU 85 Ca 0.14 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.85 2byk h LEU 85 Cb 0.16 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.93 2byk h LEU 85 CO -0.01 0.01 -1.06 0.74 0.09 0.00 0.00 178.44 178.21 2byk h THR 86 N 0.00 1.29 -0.70 0.22 2.02 -0.26 -1.84 112.91 113.65 2byk h THR 86 Ca -0.00 -2.30 -0.07 0.00 0.77 0.00 0.00 66.41 64.82 2byk h THR 86 Cb 0.03 2.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 2byk h THR 86 CO 0.00 0.71 0.18 -0.61 0.37 0.00 0.00 175.52 176.17 2byk h GLN 87 N 0.36 1.10 -0.12 6.66 -0.00 -0.29 -2.60 115.11 120.22 2byk h GLN 87 Ca -0.13 -0.25 0.01 0.00 -0.00 0.00 0.00 58.65 58.27 2byk h GLN 87 Cb 1.71 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 29.03 2byk h GLN 87 CO 0.20 0.97 0.05 -0.44 0.00 0.00 0.00 178.83 179.61 2byk h ASP 88 N 1.05 0.07 0.22 -0.69 3.45 -0.84 -2.69 116.42 116.97 2byk h ASP 88 Ca 0.22 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.68 2byk h ASP 88 Cb 0.35 -0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.12 2byk h ASP 88 CO 0.00 0.06 -0.04 -0.07 -1.57 0.00 0.00 179.24 177.61 2byk h LEU 89 N 0.12 0.00 0.04 1.55 3.38 -1.09 -1.42 115.31 117.88 2byk h LEU 89 Ca 0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2byk h LEU 89 Cb 0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.78 2byk h LEU 89 CO -0.04 0.04 -0.46 -0.08 0.09 0.00 0.00 178.44 177.99 2byk h GLU 90 N 0.00 0.24 -0.29 1.13 4.81 -1.15 -1.24 114.58 118.08 2byk h GLU 90 Ca -0.00 -0.31 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 2byk h GLU 90 Cb 0.16 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2byk h GLU 90 CO 0.01 1.07 0.18 0.28 -0.73 0.00 0.00 179.01 179.81 2byk h VAL 91 N -0.44 1.05 0.24 0.32 2.07 -1.26 -1.00 116.25 117.22 2byk h VAL 91 Ca -0.07 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.33 2byk h VAL 91 Cb 1.26 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2byk h VAL 91 CO 0.09 0.07 -0.25 0.22 0.02 0.00 0.00 177.57 177.72 2byk h TYR 92 N 0.36 -0.66 0.00 1.57 3.20 -1.34 -0.63 116.97 119.49 2byk h TYR 92 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2byk h TYR 92 Cb -0.02 0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.51 2byk h TYR 92 CO -0.07 -0.36 0.05 0.00 -1.64 0.00 0.00 178.16 176.13 2byk h ARG 93 N -0.52 0.00 0.00 1.82 3.08 -0.98 -1.33 114.38 116.45 2byk h ARG 93 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2byk h ARG 93 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 2byk h ARG 93 CO -0.06 0.00 -0.06 -0.22 -1.07 0.00 0.00 179.97 178.56 2byk h LYS 94 N 0.00 0.00 0.00 0.04 3.64 0.24 -3.11 116.57 117.38 2byk h LYS 94 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2byk h LYS 94 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2byk h LYS 94 CO 0.00 0.65 0.00 1.33 -2.27 0.00 0.00 179.45 179.16 2byk n VAL 95 N -4.66 0.51 -0.04 2.00 0.24 -0.76 -3.04 118.33 112.58 2byk n VAL 95 Ca -0.08 0.08 -0.14 0.00 -2.04 0.00 0.00 64.34 62.16 2byk n VAL 95 Cb 0.32 -0.75 -0.11 0.00 -1.47 0.00 0.00 33.84 31.83 2byk n VAL 95 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2byk h VAL 96 N 0.00 1.56 -0.43 3.34 2.07 -1.36 -3.11 116.25 118.32 2byk h VAL 96 Ca 0.00 -1.79 -0.26 0.00 0.82 0.00 0.00 66.70 65.47 2byk h VAL 96 Cb 0.43 2.73 -0.13 0.00 -1.52 0.00 0.00 31.29 32.80 2byk h VAL 96 CO 0.00 0.48 0.34 0.29 0.02 0.00 0.00 177.57 178.69 2byk n LYS 97 N -4.65 1.64 0.00 1.57 4.01 -1.18 -5.10 118.16 114.46 2byk n LYS 97 Ca -0.09 -1.37 0.00 0.00 -0.51 0.00 0.00 58.31 56.34 2byk n LYS 97 Cb 0.41 -1.54 0.00 0.00 -0.51 0.00 0.00 35.03 33.40 2byk n LYS 97 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44