#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1beg s ALA 2 N 0.00 4.26 0.70 2.41 0.00 -1.25 -4.12 121.76 123.75 1beg s ALA 2 Ca 0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 50.93 1beg s ALA 2 Cb 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.75 1beg s ALA 2 CO 0.00 -0.25 1.10 0.00 0.00 0.00 0.00 175.76 176.61 1beg s THR 4 N -2.56 -0.39 0.00 0.00 2.01 -1.26 -4.76 115.64 108.68 1beg s THR 4 Ca 0.64 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.82 1beg s THR 4 Cb -0.19 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 71.82 1beg s THR 4 CO 0.47 0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.43 1beg n ALA 5 N 5.34 0.00 0.01 7.40 0.00 -1.26 -2.24 120.51 129.76 1beg n ALA 5 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 1beg n ALA 5 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 1beg n ALA 5 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1beg h THR 6 N 0.00 0.78 -0.42 0.00 1.35 -1.98 0.42 112.91 113.06 1beg h THR 6 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1beg h THR 6 Cb 0.00 0.78 -0.02 0.00 -1.73 0.00 0.00 68.15 67.18 1beg h THR 6 CO 0.00 0.00 0.27 -0.61 -0.25 0.00 0.00 175.52 174.93 1beg h GLN 7 N -0.09 0.56 -0.76 4.72 5.75 -1.84 -2.19 115.11 121.26 1beg h GLN 7 Ca 0.06 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1beg h GLN 7 Cb 0.18 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 1beg h GLN 7 CO -0.15 0.38 0.44 0.37 -2.65 0.00 0.00 178.83 177.23 1beg h GLN 8 N 0.56 1.04 -0.19 1.69 4.15 -1.60 -2.39 115.11 118.38 1beg h GLN 8 Ca 0.15 -0.11 -0.09 0.00 0.77 0.00 0.00 58.65 59.38 1beg h GLN 8 Cb -0.04 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.42 1beg h GLN 8 CO -0.03 0.75 -0.27 1.79 -1.93 0.00 0.00 178.83 179.14 1beg h THR 9 N 1.04 1.26 -0.16 2.39 1.35 -0.66 -0.17 112.91 117.97 1beg h THR 9 Ca 0.27 -1.24 -0.02 0.00 -0.55 0.00 0.00 66.41 64.87 1beg h THR 9 Cb -0.01 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 1beg h THR 9 CO -0.05 0.39 0.02 0.00 -0.25 0.00 0.00 175.52 175.63 1beg h ALA 10 N 1.40 0.21 -0.54 6.62 0.00 -1.01 0.29 119.26 126.23 1beg h ALA 10 Ca 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1beg h ALA 10 Cb 0.65 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1beg h ALA 10 CO 0.05 -0.11 0.22 0.00 0.00 0.00 0.00 179.25 179.41 1beg h ALA 11 N 0.80 0.70 -0.70 0.00 0.00 -1.22 -2.70 119.26 116.15 1beg h ALA 11 Ca 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1beg h ALA 11 Cb 0.32 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1beg h ALA 11 CO 0.00 0.31 0.22 1.88 0.00 0.00 0.00 179.25 181.67 1beg h TYR 12 N 0.74 1.12 0.03 0.00 0.05 -0.86 -0.99 116.97 117.06 1beg h TYR 12 Ca 0.18 -0.11 0.02 0.00 0.05 0.00 0.00 58.73 58.87 1beg h TYR 12 Cb 0.19 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 1beg h TYR 12 CO 0.01 0.89 -0.16 -0.22 -1.05 0.00 0.00 178.16 177.62 1beg h LYS 13 N 1.02 -0.27 -0.01 4.88 3.64 -0.69 0.22 116.57 125.36 1beg h LYS 13 Ca 0.23 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1beg h LYS 13 Cb 0.30 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1beg h LYS 13 CO -0.01 -0.18 0.00 1.15 -2.27 0.00 0.00 179.45 178.14 1beg h THR 14 N -0.29 1.16 0.00 1.00 2.02 -1.31 -2.52 112.91 112.97 1beg h THR 14 Ca 0.04 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1beg h THR 14 Cb 0.34 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1beg h THR 14 CO -0.14 0.12 0.00 -0.11 0.37 0.00 0.00 175.52 175.76 1beg n LEU 15 N -4.99 0.00 -0.31 2.58 7.94 -0.39 -1.71 117.00 120.12 1beg n LEU 15 Ca -0.07 0.95 0.15 0.00 -1.11 0.00 0.00 56.01 55.93 1beg n LEU 15 Cb 0.12 -0.50 0.34 0.00 0.53 0.00 0.00 43.42 43.91 1beg n LEU 15 CO 0.33 -0.50 1.04 1.62 -1.11 0.00 0.00 177.39 178.78 1beg h VAL 16 N 0.00 0.41 -0.02 1.96 3.04 -0.71 0.30 116.25 121.24 1beg h VAL 16 Ca 0.00 -0.12 -0.11 0.00 -1.01 0.00 0.00 66.70 65.46 1beg h VAL 16 Cb 0.00 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 29.29 1beg h VAL 16 CO 0.00 0.07 -0.49 0.77 -1.01 0.00 0.00 177.57 176.90 1beg h SER 17 N 0.36 0.04 -0.81 3.17 4.64 -1.49 -3.19 113.55 116.28 1beg h SER 17 Ca 0.60 -0.02 0.15 0.00 -0.47 0.00 0.00 61.79 62.05 1beg h SER 17 Cb 1.19 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 63.21 1beg h SER 17 CO -0.57 0.53 0.53 -0.29 -0.87 0.00 0.00 176.83 176.16 1beg h ILE 18 N 0.03 0.79 0.00 0.95 -0.00 -0.04 -3.39 117.51 115.85 1beg h ILE 18 Ca -0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 64.86 64.69 1beg h ILE 18 Cb 0.88 0.27 0.00 0.00 -0.00 0.00 0.00 36.82 37.97 1beg h ILE 18 CO 0.07 0.09 0.00 0.00 -0.00 0.00 0.00 178.15 178.30 1beg n LEU 19 N -4.50 0.00 -1.93 2.19 -0.00 -1.20 -4.17 117.00 107.38 1beg n LEU 19 Ca 0.16 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 56.11 1beg n LEU 19 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.95 1beg n LEU 19 CO 0.32 0.00 -0.02 -0.24 -0.00 0.00 0.00 177.39 177.44 1beg n SER 20 N 0.00 -0.22 0.06 1.45 2.88 -1.26 -4.40 113.62 112.12 1beg n SER 20 Ca 0.00 -0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1beg n SER 20 Cb 0.00 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1beg n SER 20 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1beg n ASP 21 N 0.36 -0.10 0.00 -3.46 2.03 -1.26 -5.07 116.55 109.05 1beg n ASP 21 Ca 0.01 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1beg n ASP 21 Cb 0.06 0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 1beg n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1beg n ALA 22 N -2.87 0.00 -0.22 -1.67 0.00 -1.26 -5.01 120.51 109.48 1beg n ALA 22 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1beg n ALA 22 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 1beg n ALA 22 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1beg h SER 23 N 0.73 -0.03 -0.88 0.00 0.87 -1.89 -0.65 113.55 111.70 1beg h SER 23 Ca 0.00 0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.73 1beg h SER 23 Cb 0.00 0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 1beg h SER 23 CO 0.00 -0.02 0.57 0.15 -0.53 0.00 0.00 176.83 177.00 1beg h PHE 24 N 0.24 1.06 -0.35 2.24 3.57 -1.85 -1.40 116.94 120.46 1beg h PHE 24 Ca 0.35 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.78 1beg h PHE 24 Cb 0.56 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1beg h PHE 24 CO -0.27 0.60 -0.19 -0.97 -2.23 0.00 0.00 178.31 175.26 1beg h ASN 25 N 1.10 0.65 -0.12 0.41 -1.24 -1.59 -2.42 115.58 112.37 1beg h ASN 25 Ca 0.36 -0.21 -0.00 0.00 0.71 0.00 0.00 56.30 57.15 1beg h ASN 25 Cb 0.03 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 1beg h ASN 25 CO -0.12 0.84 0.07 -0.61 -1.29 0.00 0.00 177.43 176.32 1beg h GLN 26 N 0.58 0.16 0.50 6.67 5.75 -0.12 0.10 115.11 128.76 1beg h GLN 26 Ca 0.09 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1beg h GLN 26 Cb 0.65 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.16 1beg h GLN 26 CO 0.05 0.14 -0.28 0.00 -2.65 0.00 0.00 178.83 176.09 1beg h SER 28 N -0.73 0.56 -0.02 0.00 0.02 -1.27 -2.05 113.55 110.07 1beg h SER 28 Ca -0.06 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1beg h SER 28 Cb 0.59 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 1beg h SER 28 CO 0.08 0.29 -0.02 0.74 -1.14 0.00 0.00 176.83 176.78 1beg h THR 29 N 0.60 1.40 -0.37 -2.27 2.02 -0.44 0.16 112.91 114.00 1beg h THR 29 Ca 0.42 -1.20 0.01 0.00 0.77 0.00 0.00 66.41 66.42 1beg h THR 29 Cb 0.77 2.17 -0.02 0.00 -1.74 0.00 0.00 68.15 69.33 1beg h THR 29 CO -0.18 0.32 0.24 0.44 0.37 0.00 0.00 175.52 176.71 1beg h ASP 30 N -0.45 0.38 0.00 4.18 3.32 -0.66 -3.38 116.42 119.81 1beg h ASP 30 Ca 0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1beg h ASP 30 Cb 0.52 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 1beg h ASP 30 CO 0.00 0.27 -1.05 -0.24 -1.72 0.00 0.00 179.24 176.51 1beg n SER 31 N -4.48 0.82 0.00 6.45 2.88 -0.83 -5.05 113.62 113.41 1beg n SER 31 Ca 0.03 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1beg n SER 31 Cb 0.10 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1beg n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1beg n GLY 32 N 3.05 1.81 3.43 0.46 0.00 0.55 -5.00 105.19 109.50 1beg n GLY 32 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1beg n GLY 32 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1beg s TYR 33 N -2.00 2.82 -0.11 1.61 5.04 -1.26 -5.06 117.35 118.38 1beg s TYR 33 Ca 0.00 -0.41 -0.06 0.00 -2.44 0.00 0.00 57.07 54.16 1beg s TYR 33 Cb 0.00 -1.79 -0.04 0.00 0.35 0.00 0.00 41.96 40.49 1beg s TYR 33 CO 0.00 -0.03 0.10 -1.54 -1.34 0.00 0.00 175.55 172.73 1beg s SER 34 N -0.05 6.01 -0.00 4.32 1.04 -1.26 -4.54 113.70 119.21 1beg s SER 34 Ca -0.02 0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.73 1beg s SER 34 Cb -0.14 -1.89 -0.02 0.00 0.10 0.00 0.00 66.02 64.08 1beg s SER 34 CO 0.04 0.39 -0.08 0.80 0.98 0.00 0.00 173.24 175.36 1beg n MET 35 N 2.12 0.12 -0.58 4.02 1.56 -1.26 -4.22 117.12 118.88 1beg n MET 35 Ca -0.19 0.05 0.46 0.00 -0.27 0.00 0.00 57.70 57.74 1beg n MET 35 Cb 0.54 -0.71 0.73 0.00 2.15 0.00 0.00 33.22 35.93 1beg n MET 35 CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71 1beg n LEU 36 N -3.53 0.09 -1.56 -0.89 -0.00 -1.26 -1.98 117.00 107.88 1beg n LEU 36 Ca -0.07 1.13 0.00 0.00 -0.00 0.00 0.00 56.01 57.07 1beg n LEU 36 Cb 0.32 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 1beg n LEU 36 CO 0.03 -1.18 0.15 1.07 -0.00 0.00 0.00 177.39 177.46 1beg n THR 37 N -4.21 0.13 -3.31 1.47 5.66 -1.26 -5.00 114.28 107.75 1beg n THR 37 Ca 0.41 -0.93 -0.25 0.00 -3.05 0.00 0.00 64.05 60.22 1beg n THR 37 Cb 1.74 0.90 -0.09 0.00 -1.55 0.00 0.00 70.33 71.34 1beg n THR 37 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1beg n ALA 38 N 0.17 2.56 0.59 1.79 0.00 -0.84 -4.60 120.51 120.17 1beg n ALA 38 Ca -0.04 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.31 1beg n ALA 38 Cb 0.99 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1beg n ALA 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1beg n LYS 39 N 2.48 0.50 -3.68 0.00 3.00 -1.26 -4.53 118.16 114.67 1beg n LYS 39 Ca 0.27 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.19 1beg n LYS 39 Cb 0.50 -1.21 -0.11 0.00 0.00 0.00 0.00 35.03 34.21 1beg n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1beg s ALA 40 N -1.17 3.17 0.45 3.14 0.00 -1.26 -4.62 121.76 121.46 1beg s ALA 40 Ca 0.00 -1.94 -0.24 0.00 0.00 0.00 0.00 51.96 49.78 1beg s ALA 40 Cb 0.00 -2.46 -0.09 0.00 0.00 0.00 0.00 23.12 20.58 1beg s ALA 40 CO 0.00 -1.49 1.26 1.28 0.00 0.00 0.00 175.76 176.81 1beg n LEU 41 N 4.86 4.20 -4.77 0.00 4.77 -1.26 -5.00 117.00 119.81 1beg n LEU 41 Ca -0.11 1.07 -0.30 0.00 -0.03 0.00 0.00 56.01 56.64 1beg n LEU 41 Cb 0.44 -1.50 0.11 0.00 -2.33 0.00 0.00 43.42 40.14 1beg n LEU 41 CO 0.35 -0.73 0.69 -2.16 -1.33 0.00 0.00 177.39 174.21 1beg s PRO 42 N -2.34 1.71 0.70 3.23 0.04 -1.26 -5.07 135.00 132.01 1beg s PRO 42 Ca 0.63 0.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.29 1beg s PRO 42 Cb -0.49 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.20 1beg s PRO 42 CO 0.56 -1.90 1.06 0.95 0.04 0.00 0.00 177.00 177.71 1beg s THR 43 N -3.06 3.93 0.29 1.26 -4.23 -1.26 -4.79 115.64 107.78 1beg s THR 43 Ca 0.62 0.63 0.04 0.00 -1.18 0.00 0.00 61.69 61.79 1beg s THR 43 Cb -0.16 -3.43 0.30 0.00 1.34 0.00 0.00 72.50 70.55 1beg s THR 43 CO 0.55 -0.82 1.67 0.00 -0.54 0.00 0.00 174.62 175.49 1beg h THR 44 N -0.72 0.39 0.40 3.99 1.03 -1.98 -0.57 112.91 115.45 1beg h THR 44 Ca -0.44 -0.10 -0.01 0.00 -0.01 0.00 0.00 66.41 65.84 1beg h THR 44 Cb 1.22 0.06 -0.03 0.00 -1.07 0.00 0.00 68.15 68.33 1beg h THR 44 CO 0.59 0.06 -0.47 0.00 -0.01 0.00 0.00 175.52 175.68 1beg h ALA 45 N 1.75 -1.01 -0.34 0.00 0.00 -2.00 -0.54 119.26 117.12 1beg h ALA 45 Ca 0.56 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 1beg h ALA 45 Cb 1.12 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 1beg h ALA 45 CO -0.59 -1.11 -0.05 1.96 0.00 0.00 0.00 179.25 179.46 1beg h GLN 46 N -0.90 0.54 -0.01 0.00 4.20 -1.79 -2.76 115.11 114.39 1beg h GLN 46 Ca -0.04 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.56 1beg h GLN 46 Cb 0.81 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 1beg h GLN 46 CO -0.11 0.60 -0.12 1.88 -0.67 0.00 0.00 178.83 180.41 1beg h TYR 47 N 0.51 -0.31 -0.01 2.96 0.05 -0.66 0.18 116.97 119.68 1beg h TYR 47 Ca 0.10 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.91 1beg h TYR 47 Cb 0.40 0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 1beg h TYR 47 CO 0.01 -0.18 -0.10 0.87 -1.05 0.00 0.00 178.16 177.71 1beg h LYS 48 N -0.20 -0.15 -0.85 4.88 1.79 -0.96 -1.22 116.57 119.86 1beg h LYS 48 Ca 0.05 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.61 1beg h LYS 48 Cb 0.26 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.88 1beg h LYS 48 CO -0.13 -0.10 0.51 -0.07 -1.08 0.00 0.00 179.45 178.58 1beg h LEU 49 N -0.16 0.77 0.15 2.94 3.38 -1.19 -1.19 115.31 120.01 1beg h LEU 49 Ca 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1beg h LEU 49 Cb 0.21 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1beg h LEU 49 CO -0.11 0.46 -0.07 -0.03 0.09 0.00 0.00 178.44 178.78 1beg h MET 50 N 0.89 -0.20 -0.01 1.13 4.05 -0.32 -1.87 114.93 118.60 1beg h MET 50 Ca 0.39 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.79 1beg h MET 50 Cb 0.28 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 1beg h MET 50 CO -0.21 -0.12 -0.16 0.00 0.23 0.00 0.00 176.91 176.65 1beg n ALA 52 N -2.51 3.24 -2.74 0.00 0.00 -0.49 -4.92 120.51 113.10 1beg n ALA 52 Ca -0.02 -1.52 -0.32 0.00 0.00 0.00 0.00 53.44 51.58 1beg n ALA 52 Cb 0.23 -1.05 -0.15 0.00 0.00 0.00 0.00 19.45 18.48 1beg n ALA 52 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1beg s SER 53 N -0.81 3.51 0.09 0.00 0.01 -0.74 -5.01 113.70 110.74 1beg s SER 53 Ca 0.48 -0.39 -0.32 0.00 1.31 0.00 0.00 55.95 57.02 1beg s SER 53 Cb 0.32 -1.00 -0.15 0.00 0.21 0.00 0.00 66.02 65.40 1beg s SER 53 CO 0.21 0.26 1.61 0.74 0.41 0.00 0.00 173.24 176.46 1beg h THR 54 N 4.94 0.27 0.10 1.44 2.02 -1.91 -2.32 112.91 117.46 1beg h THR 54 Ca -0.34 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.85 1beg h THR 54 Cb 1.18 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1beg h THR 54 CO 0.50 0.00 -0.21 0.00 0.37 0.00 0.00 175.52 176.17 1beg h ALA 55 N -0.42 -0.35 -0.33 6.16 0.00 -1.93 -0.97 119.26 121.42 1beg h ALA 55 Ca -0.05 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1beg h ALA 55 Cb 0.69 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1beg h ALA 55 CO 0.01 -0.74 -0.12 0.00 0.00 0.00 0.00 179.25 178.40 1beg h ASN 57 N -0.05 1.12 -0.94 0.00 2.35 -1.31 -2.31 115.58 114.43 1beg h ASN 57 Ca 0.17 -0.15 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1beg h ASN 57 Cb 0.30 -0.29 -0.06 0.00 0.05 0.00 0.00 38.32 38.33 1beg h ASN 57 CO -0.37 0.96 0.61 0.74 -1.65 0.00 0.00 177.43 177.72 1beg h THR 58 N 1.20 1.13 0.73 2.81 2.02 -0.08 -0.69 112.91 120.03 1beg h THR 58 Ca 0.28 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1beg h THR 58 Cb 0.16 -0.13 0.01 0.00 -1.74 0.00 0.00 68.15 66.44 1beg h THR 58 CO -0.03 0.21 -0.35 0.24 0.37 0.00 0.00 175.52 175.96 1beg h MET 59 N 1.16 -0.94 0.29 6.66 2.86 -0.78 -2.34 114.93 121.83 1beg h MET 59 Ca 0.39 0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 58.08 1beg h MET 59 Cb 0.05 0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1beg h MET 59 CO -0.14 -0.61 -0.14 0.82 1.06 0.00 0.00 176.91 177.91 1beg h ILE 60 N -1.13 0.75 -0.96 -1.22 2.04 -1.43 -2.62 117.51 112.93 1beg h ILE 60 Ca -0.10 -0.26 0.15 0.00 1.00 0.00 0.00 64.86 65.65 1beg h ILE 60 Cb 0.77 0.89 -0.09 0.00 -0.74 0.00 0.00 36.82 37.65 1beg h ILE 60 CO 0.16 0.06 0.57 0.50 0.00 0.00 0.00 178.15 179.45 1beg h LYS 61 N -0.52 0.81 -0.01 2.37 3.64 -1.24 -1.09 116.57 120.52 1beg h LYS 61 Ca -0.04 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1beg h LYS 61 Cb 0.39 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1beg h LYS 61 CO 0.07 0.53 0.01 -0.22 -2.27 0.00 0.00 179.45 177.56 1beg h LYS 62 N 0.83 0.01 -0.88 1.90 3.64 -1.31 -1.40 116.57 119.36 1beg h LYS 62 Ca 0.51 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.95 1beg h LYS 62 Cb 0.65 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.41 1beg h LYS 62 CO -0.32 0.06 0.56 0.82 -2.27 0.00 0.00 179.45 178.30 1beg h ILE 63 N -0.04 1.06 0.31 2.00 1.08 -0.85 -1.32 117.51 119.75 1beg h ILE 63 Ca 0.00 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 64.11 1beg h ILE 63 Cb 0.05 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 33.76 1beg h ILE 63 CO -0.00 0.19 -0.15 0.58 -0.69 0.00 0.00 178.15 178.07 1beg h VAL 64 N 1.02 0.71 -0.90 1.67 2.07 -0.90 -2.58 116.25 117.35 1beg h VAL 64 Ca 0.38 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.70 1beg h VAL 64 Cb 0.15 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1beg h VAL 64 CO -0.17 0.06 0.58 0.74 0.02 0.00 0.00 177.57 178.81 1beg h THR 65 N -0.58 1.01 -0.39 2.57 2.02 -0.99 -2.37 112.91 114.18 1beg h THR 65 Ca -0.04 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1beg h THR 65 Cb 0.42 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1beg h THR 65 CO 0.07 0.17 0.23 -0.07 0.37 0.00 0.00 175.52 176.29 1beg h LEU 66 N 0.96 0.47 -2.40 2.58 -0.00 -1.10 -3.48 115.31 112.33 1beg h LEU 66 Ca 0.40 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 58.22 1beg h LEU 66 Cb 0.31 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1beg h LEU 66 CO -0.17 0.40 -0.12 -3.20 -0.00 0.00 0.00 178.44 175.35 1beg n ASN 67 N -4.77 -7.33 -4.80 -0.43 5.15 -0.90 -5.03 115.26 97.15 1beg n ASN 67 Ca 0.00 0.08 -0.29 0.00 -0.60 0.00 0.00 54.58 53.77 1beg n ASN 67 Cb 0.06 -4.96 0.13 0.00 -0.53 0.00 0.00 39.78 34.48 1beg n ASN 67 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1beg s PRO 68 N -2.86 1.25 0.49 1.20 0.04 -1.26 -5.06 135.00 128.81 1beg s PRO 68 Ca 0.06 0.27 -0.16 0.00 0.04 0.00 0.00 61.00 61.20 1beg s PRO 68 Cb -0.02 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 1beg s PRO 68 CO 0.69 -2.12 0.96 -1.25 0.04 0.00 0.00 177.00 175.32 1beg s PRO 69 N -5.32 3.95 -0.14 0.56 0.04 -1.26 -4.82 135.00 128.01 1beg s PRO 69 Ca 0.64 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 1beg s PRO 69 Cb -0.14 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 1beg s PRO 69 CO 0.53 -0.22 1.61 0.54 0.04 0.00 0.00 177.00 179.49 1beg s ASN 70 N -3.00 6.54 0.06 6.66 4.22 -1.26 -4.52 114.94 123.65 1beg s ASN 70 Ca 0.58 1.89 -0.28 0.00 -2.14 0.00 0.00 52.86 52.92 1beg s ASN 70 Cb -0.10 -2.53 0.10 0.00 1.28 0.00 0.00 41.25 39.99 1beg s ASN 70 CO 0.30 -1.08 1.15 0.00 -2.04 0.00 0.00 177.10 175.43 1beg s ASP 72 N -3.05 1.96 -0.09 0.00 1.01 -1.26 -4.25 116.67 111.00 1beg s ASP 72 Ca 0.15 -0.32 0.01 0.00 0.71 0.00 0.00 52.55 53.10 1beg s ASP 72 Cb 0.02 -0.54 0.02 0.00 1.01 0.00 0.00 42.92 43.43 1beg s ASP 72 CO -0.01 0.14 -0.08 -1.48 0.21 0.00 0.00 175.17 173.95 1beg s LEU 73 N 0.07 1.31 0.29 1.23 -0.00 -0.57 -3.47 118.68 117.54 1beg s LEU 73 Ca -0.04 -0.27 -0.03 0.00 -0.00 0.00 0.00 54.13 53.80 1beg s LEU 73 Cb -0.11 -0.78 -0.04 0.00 -0.00 0.00 0.00 46.19 45.26 1beg s LEU 73 CO 0.02 -0.07 0.52 0.28 -0.00 0.00 0.00 176.35 177.10 1beg s THR 74 N 1.32 5.08 -0.09 5.48 -1.32 -1.26 -1.21 115.64 123.64 1beg s THR 74 Ca -0.03 -0.17 -0.03 0.00 -1.21 0.00 0.00 61.69 60.25 1beg s THR 74 Cb -0.14 -3.77 -0.04 0.00 -1.51 0.00 0.00 72.50 67.05 1beg s THR 74 CO -0.04 -0.37 0.05 -0.69 -2.21 0.00 0.00 174.62 171.37 1beg s VAL 75 N -2.12 4.74 0.20 5.08 1.01 -0.43 -4.98 120.40 123.91 1beg s VAL 75 Ca 0.42 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 1beg s VAL 75 Cb -0.10 -3.03 0.07 0.00 0.00 0.00 0.00 36.38 33.31 1beg s VAL 75 CO 0.32 0.59 1.66 1.55 0.00 0.00 0.00 175.10 179.22 1beg h PRO 76 N 5.01 0.97 0.00 2.72 0.13 -1.95 -2.90 132.00 135.98 1beg h PRO 76 Ca -0.52 -0.31 -0.01 0.00 -0.87 0.00 0.00 66.00 64.29 1beg h PRO 76 Cb 1.20 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1beg h PRO 76 CO 0.56 0.98 -0.27 0.00 -0.23 0.00 0.00 178.00 179.05 1beg h THR 77 N 0.88 0.06 -0.39 1.56 1.03 -1.97 -3.38 112.91 110.70 1beg h THR 77 Ca 0.15 -1.06 0.11 0.00 -0.01 0.00 0.00 66.41 65.61 1beg h THR 77 Cb 0.58 0.13 -0.02 0.00 -1.07 0.00 0.00 68.15 67.77 1beg h THR 77 CO 0.03 0.02 0.33 0.28 -0.01 0.00 0.00 175.52 176.18 1beg h SER 78 N -1.00 0.00 -1.20 0.00 0.02 -1.81 -3.46 113.55 106.10 1beg h SER 78 Ca -0.01 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.64 1beg h SER 78 Cb 0.29 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.75 1beg h SER 78 CO -0.00 0.00 -0.31 0.61 -1.14 0.00 0.00 176.83 175.99 1beg n GLY 79 N -1.54 0.88 3.41 -3.77 0.00 -1.09 -4.86 105.19 98.22 1beg n GLY 79 Ca 0.06 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 1beg n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1beg s LEU 80 N -3.65 2.53 -0.06 0.99 1.98 -1.26 -4.96 118.68 114.24 1beg s LEU 80 Ca 0.00 -0.97 0.03 0.00 -2.89 0.00 0.00 54.13 50.30 1beg s LEU 80 Cb 0.00 -0.98 -0.02 0.00 0.66 0.00 0.00 46.19 45.85 1beg s LEU 80 CO 0.00 -0.00 -0.14 -0.69 -1.89 0.00 0.00 176.35 173.62 1beg s VAL 81 N -2.38 3.02 -0.03 1.68 1.01 -1.26 -1.32 120.40 121.12 1beg s VAL 81 Ca 0.24 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1beg s VAL 81 Cb -0.05 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1beg s VAL 81 CO 0.11 0.58 -0.26 -0.22 0.00 0.00 0.00 175.10 175.31 1beg s LEU 82 N -0.50 2.06 -0.59 3.92 2.96 -0.35 -4.94 118.68 121.23 1beg s LEU 82 Ca 0.07 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.38 1beg s LEU 82 Cb -0.12 -1.35 0.15 0.00 0.50 0.00 0.00 46.19 45.37 1beg s LEU 82 CO 0.02 0.30 0.50 0.21 -1.32 0.00 0.00 176.35 176.06 1beg s ASN 83 N -0.51 6.05 0.52 3.68 3.84 -1.26 -1.50 114.94 125.75 1beg s ASN 83 Ca 0.07 -2.15 0.23 0.00 0.21 0.00 0.00 52.86 51.22 1beg s ASN 83 Cb -0.11 -2.10 1.41 0.00 -0.55 0.00 0.00 41.25 39.90 1beg s ASN 83 CO 0.00 -0.69 2.11 0.58 -2.79 0.00 0.00 177.10 176.32 1beg h VAL 84 N 5.67 0.77 0.40 -5.21 2.07 -1.93 0.37 116.25 118.39 1beg h VAL 84 Ca -0.15 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1beg h VAL 84 Cb 1.06 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1beg h VAL 84 CO 0.88 0.09 -0.19 0.22 0.02 0.00 0.00 177.57 178.58 1beg h TYR 85 N 0.00 -0.50 0.00 1.57 3.20 -1.81 -3.28 116.97 116.15 1beg h TYR 85 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1beg h TYR 85 Cb 0.19 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 1beg h TYR 85 CO 0.00 -0.31 -0.15 1.03 -1.64 0.00 0.00 178.16 177.10 1beg h SER 86 N -1.14 0.00 -0.54 -2.11 0.87 -1.88 -3.15 113.55 105.60 1beg h SER 86 Ca -0.06 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.60 1beg h SER 86 Cb 0.42 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.27 1beg h SER 86 CO 0.09 0.15 -0.33 0.22 -0.53 0.00 0.00 176.83 176.42 1beg h TYR 87 N 0.00 -0.92 -0.59 2.24 3.20 -0.31 0.33 116.97 120.92 1beg h TYR 87 Ca -0.00 0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 1beg h TYR 87 Cb 0.26 0.48 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 1beg h TYR 87 CO 0.00 -0.38 0.15 0.00 -1.64 0.00 0.00 178.16 176.29 1beg h ALA 88 N 0.93 1.17 0.00 1.82 0.00 -1.65 -0.88 119.26 120.65 1beg h ALA 88 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1beg h ALA 88 Cb 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1beg h ALA 88 CO -0.64 0.57 -0.25 -0.91 0.00 0.00 0.00 179.25 178.02 1beg h ASN 89 N 0.87 0.00 0.00 0.00 2.35 -1.29 -3.35 115.58 114.16 1beg h ASN 89 Ca 0.19 -0.02 -0.31 0.00 -0.55 0.00 0.00 56.30 55.61 1beg h ASN 89 Cb 0.30 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.61 1beg h ASN 89 CO -0.00 0.01 -2.14 0.61 -1.65 0.00 0.00 177.43 174.26 1beg n GLY 90 N 1.18 -0.29 0.20 2.83 0.00 0.10 -4.48 105.19 104.73 1beg n GLY 90 Ca 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 1beg n GLY 90 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1beg h PHE 91 N -0.21 0.31 0.08 1.61 3.04 -1.36 -2.39 116.94 118.02 1beg h PHE 91 Ca -0.47 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.53 1beg h PHE 91 Cb 1.62 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 40.01 1beg h PHE 91 CO -0.00 0.10 -0.51 0.66 -2.02 0.00 0.00 178.31 176.54 1beg h SER 92 N 0.36 -1.56 -0.78 0.41 4.64 -1.78 0.68 113.55 115.51 1beg h SER 92 Ca 0.24 0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.72 1beg h SER 92 Cb 0.25 0.58 -0.04 0.00 -0.31 0.00 0.00 62.40 62.88 1beg h SER 92 CO -0.24 -0.54 0.46 -0.55 -0.87 0.00 0.00 176.83 175.09 1beg h ASN 93 N -0.72 0.96 -0.72 4.97 -1.07 -1.76 -1.52 115.58 115.72 1beg h ASN 93 Ca 0.01 -0.06 -0.00 0.00 0.07 0.00 0.00 56.30 56.31 1beg h ASN 93 Cb 0.74 -0.24 -0.04 0.00 -2.07 0.00 0.00 38.32 36.71 1beg h ASN 93 CO -0.31 0.75 0.45 0.11 0.07 0.00 0.00 177.43 178.50 1beg h LYS 94 N 1.10 0.98 -0.40 4.14 1.57 -0.89 -2.14 116.57 120.91 1beg h LYS 94 Ca 0.28 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1beg h LYS 94 Cb -0.02 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1beg h LYS 94 CO -0.05 0.68 0.06 0.00 -0.57 0.00 0.00 179.45 179.58 1beg h SER 96 N 0.52 0.53 0.70 0.00 0.02 -0.93 -2.33 113.55 112.06 1beg h SER 96 Ca 0.12 0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.95 1beg h SER 96 Cb 0.38 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1beg h SER 96 CO 0.01 0.34 -0.72 0.28 -1.14 0.00 0.00 176.83 175.60 1beg h SER 97 N 0.66 0.01 0.00 3.07 0.02 -1.23 -3.52 113.55 112.57 1beg h SER 97 Ca 0.29 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1beg h SER 97 Cb 0.18 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1beg h SER 97 CO -0.18 0.73 0.00 -0.11 -1.14 0.00 0.00 176.83 176.13