#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1beg n ALA 2 N 0.00 -1.64 -1.68 1.79 0.00 -1.19 -4.89 120.51 112.90 1beg n ALA 2 Ca 0.00 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.30 1beg n ALA 2 Cb 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 19.45 18.59 1beg n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1beg n THR 4 N -2.07 0.00 -0.08 0.00 -2.24 -1.26 -4.82 114.28 103.81 1beg n THR 4 Ca 0.08 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.72 1beg n THR 4 Cb 0.53 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 1beg n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1beg n ALA 5 N -3.00 1.40 -0.05 6.98 0.00 -1.26 -4.07 120.51 120.51 1beg n ALA 5 Ca 0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 53.44 52.58 1beg n ALA 5 Cb 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 1beg n ALA 5 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1beg h THR 6 N -0.80 1.23 -0.56 0.00 2.02 -1.98 0.42 112.91 113.25 1beg h THR 6 Ca -0.23 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 1beg h THR 6 Cb 1.08 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 1beg h THR 6 CO -0.14 0.22 0.32 1.56 0.37 0.00 0.00 175.52 177.86 1beg h GLN 7 N 0.04 0.77 -0.65 6.66 4.20 -1.95 -2.01 115.11 122.16 1beg h GLN 7 Ca 0.05 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 1beg h GLN 7 Cb 0.32 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1beg h GLN 7 CO 0.00 0.57 0.07 0.37 -0.67 0.00 0.00 178.83 179.18 1beg h GLN 8 N 0.75 1.09 0.00 1.46 4.15 -1.68 -2.66 115.11 118.22 1beg h GLN 8 Ca 0.20 -0.31 -0.06 0.00 0.77 0.00 0.00 58.65 59.25 1beg h GLN 8 Cb 0.01 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1beg h GLN 8 CO -0.03 1.02 -0.27 1.79 -1.93 0.00 0.00 178.83 179.40 1beg h THR 9 N 1.02 0.75 0.16 2.39 1.35 -0.60 0.19 112.91 118.17 1beg h THR 9 Ca 0.19 -1.16 -0.01 0.00 -0.55 0.00 0.00 66.41 64.89 1beg h THR 9 Cb 0.48 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1beg h THR 9 CO 0.02 0.27 -0.08 0.00 -0.25 0.00 0.00 175.52 175.48 1beg h ALA 10 N 1.73 -0.22 -0.58 6.62 0.00 -1.05 0.20 119.26 125.96 1beg h ALA 10 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1beg h ALA 10 Cb 0.70 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1beg h ALA 10 CO 0.04 -0.35 0.34 0.00 0.00 0.00 0.00 179.25 179.28 1beg h ALA 11 N -0.12 0.74 -0.41 0.00 0.00 -1.40 -2.34 119.26 115.73 1beg h ALA 11 Ca -0.02 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1beg h ALA 11 Cb 0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1beg h ALA 11 CO 0.04 0.24 -0.09 1.88 0.00 0.00 0.00 179.25 181.32 1beg h TYR 12 N 0.79 0.78 0.61 0.00 -1.99 -0.98 -0.45 116.97 115.74 1beg h TYR 12 Ca 0.21 -0.13 -0.03 0.00 2.00 0.00 0.00 58.73 60.78 1beg h TYR 12 Cb 0.00 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 38.53 1beg h TYR 12 CO -0.02 0.78 -0.31 -0.22 -0.00 0.00 0.00 178.16 178.39 1beg h LYS 13 N 0.66 -0.82 0.17 4.88 3.64 -0.06 0.11 116.57 125.16 1beg h LYS 13 Ca 0.12 0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1beg h LYS 13 Cb 0.54 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1beg h LYS 13 CO 0.03 -0.54 -0.08 0.00 -2.27 0.00 0.00 179.45 176.59 1beg h THR 14 N -0.85 0.91 0.30 1.00 1.03 -1.47 -2.40 112.91 111.44 1beg h THR 14 Ca -0.08 -1.01 -0.00 0.00 -0.01 0.00 0.00 66.41 65.31 1beg h THR 14 Cb 0.66 1.47 -0.02 0.00 -1.07 0.00 0.00 68.15 69.19 1beg h THR 14 CO 0.13 0.21 -0.29 0.25 -0.01 0.00 0.00 175.52 175.81 1beg h LEU 15 N -0.77 -0.78 -1.09 0.00 6.46 -1.14 -2.43 115.31 115.56 1beg h LEU 15 Ca -0.02 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1beg h LEU 15 Cb 0.52 0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 40.67 1beg h LEU 15 CO 0.04 -0.42 0.52 0.58 -0.62 0.00 0.00 178.44 178.53 1beg h VAL 16 N -0.62 1.23 -0.83 1.05 2.07 -0.92 -1.75 116.25 116.48 1beg h VAL 16 Ca -0.01 -0.49 0.09 0.00 0.82 0.00 0.00 66.70 67.11 1beg h VAL 16 Cb 0.56 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 1beg h VAL 16 CO -0.05 0.24 0.54 0.28 0.02 0.00 0.00 177.57 178.60 1beg h SER 17 N 1.16 0.73 0.00 0.57 0.02 -1.09 -3.42 113.55 111.51 1beg h SER 17 Ca 0.30 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1beg h SER 17 Cb -0.06 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.34 1beg h SER 17 CO -0.06 0.44 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 1beg n ILE 18 N -4.51 0.00 0.00 3.27 3.06 -0.66 -4.53 119.36 115.99 1beg n ILE 18 Ca 0.14 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.39 1beg n ILE 18 Cb 0.30 -1.73 0.00 0.00 0.54 0.00 0.00 39.64 38.76 1beg n ILE 18 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1beg n LEU 19 N 0.00 0.00 -1.34 9.51 4.77 -1.26 -4.49 117.00 124.19 1beg n LEU 19 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1beg n LEU 19 Cb 0.00 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.40 1beg n LEU 19 CO 0.00 0.00 0.76 -1.54 -1.33 0.00 0.00 177.39 175.28 1beg n SER 20 N 2.43 3.93 -4.04 -1.43 3.41 -1.26 -4.73 113.62 111.92 1beg n SER 20 Ca 0.00 -2.18 -0.14 0.00 -0.26 0.00 0.00 58.87 56.29 1beg n SER 20 Cb 0.00 -0.49 0.05 0.00 -0.26 0.00 0.00 64.21 63.51 1beg n SER 20 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1beg n ASP 21 N 1.26 1.41 -1.54 4.04 -0.08 -1.26 -5.04 116.55 115.34 1beg n ASP 21 Ca 0.23 -2.05 0.09 0.00 -1.51 0.00 0.00 54.79 51.55 1beg n ASP 21 Cb 0.68 -0.33 0.34 0.00 2.34 0.00 0.00 41.12 44.15 1beg n ASP 21 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1beg n ALA 22 N -2.59 3.09 -0.06 -1.67 0.00 -1.26 -4.01 120.51 114.01 1beg n ALA 22 Ca -0.10 -1.50 -0.07 0.00 0.00 0.00 0.00 53.44 51.77 1beg n ALA 22 Cb 0.42 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 1beg n ALA 22 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1beg n SER 23 N 1.06 1.75 -0.24 0.00 2.88 -1.26 -3.71 113.62 114.09 1beg n SER 23 Ca 0.25 0.29 -0.03 0.00 -1.33 0.00 0.00 58.87 58.04 1beg n SER 23 Cb 0.86 -0.65 0.08 0.00 -0.75 0.00 0.00 64.21 63.75 1beg n SER 23 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1beg h PHE 24 N -0.77 0.79 -0.62 0.66 3.57 -1.89 -0.65 116.94 118.04 1beg h PHE 24 Ca -0.02 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1beg h PHE 24 Cb 0.80 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1beg h PHE 24 CO -0.32 0.44 0.41 -0.97 -2.23 0.00 0.00 178.31 175.64 1beg h ASN 25 N 0.82 0.70 0.13 0.41 -1.24 -1.81 -1.92 115.58 112.67 1beg h ASN 25 Ca 0.28 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 1beg h ASN 25 Cb 0.04 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 38.92 1beg h ASN 25 CO -0.12 0.50 -0.06 -0.61 -1.29 0.00 0.00 177.43 175.85 1beg h GLN 26 N 0.82 -0.17 -0.72 6.67 5.75 -1.43 -2.42 115.11 123.61 1beg h GLN 26 Ca 0.23 0.01 0.10 0.00 -0.15 0.00 0.00 58.65 58.84 1beg h GLN 26 Cb -0.08 0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.44 1beg h GLN 26 CO -0.06 -0.06 0.35 0.00 -2.65 0.00 0.00 178.83 176.41 1beg h SER 28 N 0.58 -0.16 -0.90 0.00 0.87 -1.13 -2.24 113.55 110.56 1beg h SER 28 Ca 0.36 0.02 0.07 0.00 -1.23 0.00 0.00 61.79 61.01 1beg h SER 28 Cb 0.41 0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.36 1beg h SER 28 CO -0.29 -0.10 0.56 0.74 -0.53 0.00 0.00 176.83 177.22 1beg h THR 29 N -0.13 1.02 0.00 2.23 2.02 -0.87 -2.17 112.91 115.00 1beg h THR 29 Ca 0.01 -0.34 -0.18 0.00 0.77 0.00 0.00 66.41 66.67 1beg h THR 29 Cb 0.13 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.45 1beg h THR 29 CO -0.02 0.18 -0.98 0.44 0.37 0.00 0.00 175.52 175.51 1beg h ASP 30 N 1.00 0.00 0.00 4.18 3.32 -1.31 -3.44 116.42 120.17 1beg h ASP 30 Ca 0.40 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 1beg h ASP 30 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1beg h ASP 30 CO -0.19 0.75 -0.63 -0.24 -1.72 0.00 0.00 179.24 177.21 1beg n SER 31 N -3.19 0.57 0.00 6.45 2.88 -0.85 -5.06 113.62 114.43 1beg n SER 31 Ca -0.03 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1beg n SER 31 Cb 0.86 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 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 3.12 1.42 3.43 0.46 0.00 -0.82 -5.07 105.19 107.73 1beg n GLY 32 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 3.13 -0.62 1.61 5.04 -1.26 -5.06 117.35 118.19 1beg s TYR 33 Ca 0.00 -0.55 -0.23 0.00 -2.44 0.00 0.00 57.07 53.86 1beg s TYR 33 Cb 0.00 -2.29 0.06 0.00 0.35 0.00 0.00 41.96 40.08 1beg s TYR 33 CO 0.00 -0.42 0.92 -1.12 -1.34 0.00 0.00 175.55 173.59 1beg s SER 34 N 1.60 6.22 0.12 4.32 0.01 -1.26 -4.80 113.70 119.91 1beg s SER 34 Ca 0.05 -0.85 -0.12 0.00 1.31 0.00 0.00 55.95 56.34 1beg s SER 34 Cb -0.16 -2.41 -0.10 0.00 0.21 0.00 0.00 66.02 63.56 1beg s SER 34 CO 0.05 -1.33 1.38 -0.03 0.41 0.00 0.00 173.24 173.72 1beg h MET 35 N 9.45 0.87 0.00 12.44 4.05 -1.97 -2.32 114.93 137.44 1beg h MET 35 Ca -0.28 -0.58 0.00 0.00 -0.28 0.00 0.00 59.70 58.55 1beg h MET 35 Cb 1.07 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.96 1beg h MET 35 CO 1.14 1.21 -0.07 1.47 0.23 0.00 0.00 176.91 180.89 1beg n LEU 36 N -3.99 0.35 0.00 3.39 -0.00 -1.26 -4.02 117.00 111.47 1beg n LEU 36 Ca -0.05 0.47 0.00 0.00 -0.00 0.00 0.00 56.01 56.43 1beg n LEU 36 Cb 0.66 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 1beg n LEU 36 CO 0.51 -0.06 0.26 0.41 -0.00 0.00 0.00 177.39 178.52 1beg n THR 37 N -1.79 0.18 -4.34 1.47 -1.04 -1.24 -4.20 114.28 103.32 1beg n THR 37 Ca 0.06 -0.51 -0.25 0.00 -2.04 0.00 0.00 64.05 61.32 1beg n THR 37 Cb 0.38 1.04 -0.12 0.00 -1.82 0.00 0.00 70.33 69.80 1beg n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1beg s ALA 38 N -0.18 2.09 -0.86 2.41 0.00 -0.87 -4.42 121.76 119.92 1beg s ALA 38 Ca 0.00 -1.43 0.09 0.00 0.00 0.00 0.00 51.96 50.62 1beg s ALA 38 Cb 0.00 -0.26 0.21 0.00 0.00 0.00 0.00 23.12 23.07 1beg s ALA 38 CO 0.00 0.36 1.11 0.36 0.00 0.00 0.00 175.76 177.59 1beg n LYS 39 N 0.67 2.24 -4.91 0.00 0.00 -1.26 -4.79 118.16 110.11 1beg n LYS 39 Ca -0.16 -1.73 -0.30 0.00 -0.00 0.00 0.00 58.31 56.12 1beg n LYS 39 Cb 0.55 -1.21 -0.17 0.00 -0.00 0.00 0.00 35.03 34.20 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 -0.94 1.90 0.45 0.58 0.00 -1.26 -5.03 121.76 117.46 1beg s ALA 40 Ca 0.17 -0.82 -0.24 0.00 0.00 0.00 0.00 51.96 51.08 1beg s ALA 40 Cb 0.09 -0.78 -0.07 0.00 0.00 0.00 0.00 23.12 22.36 1beg s ALA 40 CO 0.13 0.17 1.19 -0.51 0.00 0.00 0.00 175.76 176.73 1beg s LEU 41 N 0.55 4.05 0.46 0.00 1.43 -1.26 -5.03 118.68 118.88 1beg s LEU 41 Ca -0.15 2.38 -0.21 0.00 -1.03 0.00 0.00 54.13 55.12 1beg s LEU 41 Cb -0.17 -4.17 -0.10 0.00 0.03 0.00 0.00 46.19 41.78 1beg s LEU 41 CO 0.05 -0.91 1.00 -2.16 0.23 0.00 0.00 176.35 174.56 1beg s PRO 42 N -2.60 4.01 0.72 1.29 0.04 -1.26 -5.05 135.00 132.16 1beg s PRO 42 Ca 0.62 1.26 -0.16 0.00 0.04 0.00 0.00 61.00 62.76 1beg s PRO 42 Cb -0.31 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.11 1beg s PRO 42 CO 0.38 -0.23 1.25 0.99 0.04 0.00 0.00 177.00 179.42 1beg s THR 43 N -2.05 2.06 0.40 1.26 2.01 -1.26 -4.61 115.64 113.45 1beg s THR 43 Ca 0.64 0.03 0.26 0.00 0.31 0.00 0.00 61.69 62.94 1beg s THR 43 Cb -0.13 -2.73 0.42 0.00 0.01 0.00 0.00 72.50 70.06 1beg s THR 43 CO 0.17 -0.01 1.56 1.07 -0.69 0.00 0.00 174.62 176.72 1beg n THR 44 N -2.57 -0.34 0.13 -0.82 5.66 -1.26 -0.40 114.28 114.67 1beg n THR 44 Ca 0.15 1.92 -0.14 0.00 -3.05 0.00 0.00 64.05 62.93 1beg n THR 44 Cb 0.49 -3.13 -0.08 0.00 -1.55 0.00 0.00 70.33 66.06 1beg n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1beg h ALA 45 N 1.81 -0.27 -0.77 1.79 0.00 -2.00 -1.05 119.26 118.77 1beg h ALA 45 Ca 0.86 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.67 1beg h ALA 45 Cb 2.50 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 20.36 1beg h ALA 45 CO -0.63 -0.61 0.45 1.96 0.00 0.00 0.00 179.25 180.42 1beg h GLN 46 N -0.35 1.06 -0.84 0.00 1.08 -1.05 -2.37 115.11 112.64 1beg h GLN 46 Ca -0.03 -0.11 0.04 0.00 -1.45 0.00 0.00 58.65 57.10 1beg h GLN 46 Cb 0.27 -0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.43 1beg h GLN 46 CO 0.04 0.77 0.54 1.88 -0.95 0.00 0.00 178.83 181.11 1beg h TYR 47 N 1.06 1.00 0.34 2.96 0.05 -0.99 -0.57 116.97 120.82 1beg h TYR 47 Ca 0.27 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 59.06 1beg h TYR 47 Cb -0.01 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 37.41 1beg h TYR 47 CO -0.00 0.57 -0.16 -0.22 -1.05 0.00 0.00 178.16 177.29 1beg h LYS 48 N 1.03 -0.44 -0.48 4.88 1.63 -0.77 -0.17 116.57 122.26 1beg h LYS 48 Ca 0.34 0.03 0.08 0.00 -0.85 0.00 0.00 60.65 60.25 1beg h LYS 48 Cb 0.03 0.10 -0.07 0.00 -0.60 0.00 0.00 32.23 31.69 1beg h LYS 48 CO -0.12 -0.17 0.08 -0.07 -3.45 0.00 0.00 179.45 175.71 1beg h LEU 49 N -0.65 -0.04 -0.72 5.20 3.38 -1.21 -1.48 115.31 119.79 1beg h LEU 49 Ca -0.05 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1beg h LEU 49 Cb 0.46 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1beg h LEU 49 CO 0.08 0.01 0.47 0.24 0.09 0.00 0.00 178.44 179.32 1beg h MET 50 N 0.21 0.91 -0.13 1.13 2.86 -0.97 -2.59 114.93 116.35 1beg h MET 50 Ca 0.24 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.76 1beg h MET 50 Cb 0.33 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1beg h MET 50 CO -0.33 0.60 -0.22 0.00 1.06 0.00 0.00 176.91 178.02 1beg h ALA 52 N 1.57 0.75 -2.52 0.00 0.00 -1.02 -3.46 119.26 114.59 1beg h ALA 52 Ca 0.04 -0.62 -0.53 0.00 0.00 0.00 0.00 54.91 53.80 1beg h ALA 52 Cb 0.51 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1beg h ALA 52 CO 0.03 0.82 0.59 -1.54 0.00 0.00 0.00 179.25 179.16 1beg s SER 53 N -6.89 7.03 0.11 0.00 1.04 -1.11 -4.97 113.70 108.91 1beg s SER 53 Ca -0.03 2.11 -0.22 0.00 0.48 0.00 0.00 55.95 58.30 1beg s SER 53 Cb 0.11 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.55 1beg s SER 53 CO 0.80 -0.49 1.74 0.71 0.98 0.00 0.00 173.24 176.98 1beg h THR 54 N 4.34 0.97 -0.17 2.02 1.35 -1.88 -2.98 112.91 116.57 1beg h THR 54 Ca -0.42 -0.02 0.03 0.00 -0.55 0.00 0.00 66.41 65.45 1beg h THR 54 Cb 1.21 0.90 -0.07 0.00 -1.73 0.00 0.00 68.15 68.47 1beg h THR 54 CO 0.81 0.01 -0.54 0.00 -0.25 0.00 0.00 175.52 175.55 1beg h ALA 55 N 1.06 -0.88 -0.53 6.62 0.00 -1.93 -0.09 119.26 123.51 1beg h ALA 55 Ca 0.04 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1beg h ALA 55 Cb 0.03 1.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1beg h ALA 55 CO -0.05 -1.08 0.22 0.00 0.00 0.00 0.00 179.25 178.34 1beg h ASN 57 N 0.41 0.97 -0.81 0.00 -0.73 -1.33 -2.17 115.58 111.91 1beg h ASN 57 Ca 0.25 -0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.33 1beg h ASN 57 Cb 0.25 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 38.56 1beg h ASN 57 CO -0.24 0.74 0.40 0.74 -0.37 0.00 0.00 177.43 178.71 1beg h THR 58 N 1.10 1.25 0.62 -3.57 2.02 -0.22 -0.31 112.91 113.81 1beg h THR 58 Ca 0.29 -0.69 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 1beg h THR 58 Cb -0.05 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1beg h THR 58 CO -0.06 0.30 -0.30 0.24 0.37 0.00 0.00 175.52 176.07 1beg h MET 59 N 1.15 -0.81 0.17 6.66 2.86 -0.87 -1.95 114.93 122.14 1beg h MET 59 Ca 0.28 0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.97 1beg h MET 59 Cb 0.10 0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1beg h MET 59 CO -0.04 -0.49 -0.08 0.82 1.06 0.00 0.00 176.91 178.18 1beg h ILE 60 N -1.09 0.86 -0.73 -1.22 2.04 -1.42 -2.42 117.51 113.52 1beg h ILE 60 Ca -0.09 -0.10 0.15 0.00 1.00 0.00 0.00 64.86 65.83 1beg h ILE 60 Cb 0.69 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1beg h ILE 60 CO 0.14 0.02 0.49 0.50 0.00 0.00 0.00 178.15 179.31 1beg h LYS 61 N -0.28 0.35 0.23 2.37 3.64 -1.13 -0.22 116.57 121.52 1beg h LYS 61 Ca -0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1beg h LYS 61 Cb 0.21 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1beg h LYS 61 CO 0.04 0.23 -0.11 0.87 -2.27 0.00 0.00 179.45 178.21 1beg h LYS 62 N 0.36 -0.30 -0.46 1.90 1.57 -0.87 -1.12 116.57 117.66 1beg h LYS 62 Ca 0.36 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.11 1beg h LYS 62 Cb 0.89 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1beg h LYS 62 CO -0.10 -0.06 0.09 0.82 -0.57 0.00 0.00 179.45 179.63 1beg h ILE 63 N -0.51 1.21 0.64 1.86 2.04 -0.96 -1.32 117.51 120.47 1beg h ILE 63 Ca -0.03 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 1beg h ILE 63 Cb 0.38 0.76 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1beg h ILE 63 CO 0.05 0.28 -0.31 0.58 0.00 0.00 0.00 178.15 178.75 1beg h VAL 64 N 0.68 0.18 -0.73 1.67 2.07 -0.94 -0.95 116.25 118.22 1beg h VAL 64 Ca 0.15 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1beg h VAL 64 Cb 0.29 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 1beg h VAL 64 CO 0.00 0.02 0.41 0.74 0.02 0.00 0.00 177.57 178.76 1beg h THR 65 N -1.13 0.94 -0.44 2.57 2.02 -1.18 -2.13 112.91 113.57 1beg h THR 65 Ca -0.09 -0.25 0.04 0.00 0.77 0.00 0.00 66.41 66.88 1beg h THR 65 Cb 0.70 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 1beg h THR 65 CO 0.14 0.13 0.21 0.25 0.37 0.00 0.00 175.52 176.63 1beg h LEU 66 N 0.73 0.29 -2.30 2.58 5.85 -1.19 -3.49 115.31 117.78 1beg h LEU 66 Ca 0.34 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1beg h LEU 66 Cb 0.26 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1beg h LEU 66 CO -0.21 0.21 -0.74 0.59 -0.34 0.00 0.00 178.44 177.95 1beg n ASN 67 N -4.93 -7.13 -4.91 1.25 3.02 -0.37 -5.06 115.26 97.13 1beg n ASN 67 Ca 0.03 1.03 -0.28 0.00 -0.03 0.00 0.00 54.58 55.34 1beg n ASN 67 Cb 0.12 -4.72 0.07 0.00 -0.61 0.00 0.00 39.78 34.64 1beg n ASN 67 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1beg s PRO 68 N -1.64 2.29 0.54 3.52 0.04 -1.26 -5.08 135.00 133.42 1beg s PRO 68 Ca 0.05 0.00 -0.17 0.00 0.04 0.00 0.00 61.00 60.92 1beg s PRO 68 Cb -0.02 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1beg s PRO 68 CO 0.67 -1.27 1.04 -1.25 0.04 0.00 0.00 177.00 176.22 1beg s PRO 69 N -5.35 3.59 -0.62 0.56 0.04 -1.26 -4.88 135.00 127.07 1beg s PRO 69 Ca 0.60 1.21 -0.28 0.00 0.04 0.00 0.00 61.00 62.57 1beg s PRO 69 Cb -0.11 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1beg s PRO 69 CO 0.47 -0.59 1.22 1.21 0.04 0.00 0.00 177.00 179.35 1beg s ASN 70 N -2.56 6.37 -0.15 6.66 2.47 -1.26 -4.53 114.94 121.94 1beg s ASN 70 Ca 0.64 -0.04 -0.31 0.00 0.42 0.00 0.00 52.86 53.57 1beg s ASN 70 Cb -0.15 -2.56 0.13 0.00 -1.45 0.00 0.00 41.25 37.23 1beg s ASN 70 CO 0.30 -1.58 1.07 0.00 -3.72 0.00 0.00 177.10 173.17 1beg s ASP 72 N -1.62 7.07 -0.30 0.00 1.11 -1.26 -4.54 116.67 117.13 1beg s ASP 72 Ca 0.03 2.10 0.02 0.00 0.18 0.00 0.00 52.55 54.89 1beg s ASP 72 Cb -0.01 -2.59 0.07 0.00 1.07 0.00 0.00 42.92 41.47 1beg s ASP 72 CO -0.03 -0.45 -0.03 -0.76 1.18 0.00 0.00 175.17 175.08 1beg s LEU 73 N 0.70 4.02 0.37 1.23 1.43 -0.57 -1.85 118.68 124.00 1beg s LEU 73 Ca 0.57 -1.65 -0.24 0.00 -1.03 0.00 0.00 54.13 51.79 1beg s LEU 73 Cb -0.31 -1.61 -0.10 0.00 0.03 0.00 0.00 46.19 44.20 1beg s LEU 73 CO 0.31 -0.28 0.96 -0.89 0.23 0.00 0.00 176.35 176.68 1beg s THR 74 N 1.06 4.23 -0.18 5.49 2.01 -1.26 -1.18 115.64 125.80 1beg s THR 74 Ca -0.01 1.66 0.01 0.00 0.31 0.00 0.00 61.69 63.65 1beg s THR 74 Cb -0.20 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.50 1beg s THR 74 CO -0.05 -0.04 -0.19 -0.69 -0.69 0.00 0.00 174.62 172.96 1beg s VAL 75 N -1.82 2.17 0.26 3.82 1.01 -0.48 -4.94 120.40 120.42 1beg s VAL 75 Ca 0.55 -0.90 0.12 0.00 0.00 0.00 0.00 61.98 61.75 1beg s VAL 75 Cb -0.15 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.33 1beg s VAL 75 CO 0.20 0.53 1.66 1.55 0.00 0.00 0.00 175.10 179.04 1beg h PRO 76 N 7.92 0.00 0.14 2.72 0.13 -1.97 -2.73 132.00 138.22 1beg h PRO 76 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1beg h PRO 76 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1beg h PRO 76 CO 0.63 0.54 -0.07 1.79 -0.23 0.00 0.00 178.00 180.66 1beg h THR 77 N 0.00 0.00 -0.61 1.56 1.35 -1.96 -3.35 112.91 109.90 1beg h THR 77 Ca -0.01 -0.12 -0.02 0.00 -0.55 0.00 0.00 66.41 65.71 1beg h THR 77 Cb 1.00 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.39 1beg h THR 77 CO 0.07 0.00 0.29 0.77 -0.25 0.00 0.00 175.52 176.40 1beg h SER 78 N -0.32 0.77 -2.62 5.36 4.64 -1.73 -3.48 113.55 116.17 1beg h SER 78 Ca -0.02 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1beg h SER 78 Cb 0.15 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1beg h SER 78 CO 0.03 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 1beg n GLY 79 N -1.15 0.83 3.63 -0.77 0.00 -1.03 -4.57 105.19 102.12 1beg n GLY 79 Ca 0.06 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.62 -0.24 -0.13 0.99 2.96 -1.20 -5.00 118.68 113.44 1beg s LEU 80 Ca 0.00 -0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 53.67 1beg s LEU 80 Cb 0.00 1.97 -0.04 0.00 0.50 0.00 0.00 46.19 48.62 1beg s LEU 80 CO 0.00 -0.68 0.07 -0.69 -1.32 0.00 0.00 176.35 173.73 1beg s VAL 81 N -3.07 4.89 -0.02 1.68 1.01 -1.26 -1.38 120.40 122.24 1beg s VAL 81 Ca 0.09 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.09 1beg s VAL 81 Cb -0.01 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 1beg s VAL 81 CO -0.04 0.56 -0.11 -0.22 0.00 0.00 0.00 175.10 175.29 1beg s LEU 82 N -0.48 1.86 -0.74 3.92 2.96 -0.33 -4.97 118.68 120.90 1beg s LEU 82 Ca 0.10 -0.22 -0.14 0.00 -0.22 0.00 0.00 54.13 53.65 1beg s LEU 82 Cb -0.12 -0.63 0.19 0.00 0.50 0.00 0.00 46.19 46.14 1beg s LEU 82 CO 0.02 0.10 0.68 0.21 -1.32 0.00 0.00 176.35 176.03 1beg s ASN 83 N 0.07 6.54 0.42 3.68 3.84 -1.26 -1.51 114.94 126.72 1beg s ASN 83 Ca -0.02 -2.43 0.10 0.00 0.21 0.00 0.00 52.86 50.73 1beg s ASN 83 Cb -0.08 -2.20 0.92 0.00 -0.55 0.00 0.00 41.25 39.34 1beg s ASN 83 CO 0.01 -0.65 2.01 0.58 -2.79 0.00 0.00 177.10 176.25 1beg h VAL 84 N 5.13 1.12 0.16 -5.21 2.07 -1.92 -2.92 116.25 114.67 1beg h VAL 84 Ca -0.01 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1beg h VAL 84 Cb 1.05 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1beg h VAL 84 CO 0.83 0.15 -0.19 0.22 0.02 0.00 0.00 177.57 178.60 1beg h TYR 85 N 0.25 -0.53 -0.10 1.57 3.20 -1.84 -2.28 116.97 117.24 1beg h TYR 85 Ca 0.06 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1beg h TYR 85 Cb 0.18 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1beg h TYR 85 CO 0.00 -0.24 0.05 1.03 -1.64 0.00 0.00 178.16 177.36 1beg h SER 86 N -0.35 0.12 0.52 -2.11 0.87 -1.94 -3.05 113.55 107.61 1beg h SER 86 Ca -0.02 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1beg h SER 86 Cb 0.31 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1beg h SER 86 CO -0.04 0.10 -0.36 0.22 -0.53 0.00 0.00 176.83 176.22 1beg h TYR 87 N 0.14 -0.95 0.00 2.24 3.20 -1.29 0.11 116.97 120.42 1beg h TYR 87 Ca 0.04 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1beg h TYR 87 Cb 0.01 0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1beg h TYR 87 CO 0.00 -0.53 0.00 0.00 -1.64 0.00 0.00 178.16 175.99 1beg n ALA 88 N -2.60 -0.25 0.00 1.82 0.00 -0.88 -1.00 120.51 117.60 1beg n ALA 88 Ca -0.12 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.43 1beg n ALA 88 Cb 0.38 0.06 0.53 0.00 0.00 0.00 0.00 19.45 20.43 1beg n ALA 88 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1beg h ASN 89 N 0.00 0.28 0.05 0.00 7.08 -1.68 -3.26 115.58 118.05 1beg h ASN 89 Ca 0.00 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1beg h ASN 89 Cb 0.00 -0.06 0.00 0.00 -2.08 0.00 0.00 38.32 36.18 1beg h ASN 89 CO 0.00 0.18 -0.03 1.23 -2.08 0.00 0.00 177.43 176.73 1beg h GLY 90 N 0.31 -0.07 -0.94 9.14 0.00 -0.79 -3.39 103.07 107.32 1beg h GLY 90 Ca 0.20 0.03 0.14 0.00 0.00 0.00 0.00 47.33 47.70 1beg h GLY 90 CO -0.04 -0.03 -0.40 0.33 0.00 0.00 0.00 176.54 176.40 1beg n PHE 91 N -4.76 -0.04 0.09 5.60 -0.00 -0.17 -1.47 117.46 116.72 1beg n PHE 91 Ca -0.07 1.16 -0.16 0.00 -0.00 0.00 0.00 57.45 58.38 1beg n PHE 91 Cb 0.29 -0.81 -0.10 0.00 -0.00 0.00 0.00 39.48 38.86 1beg n PHE 91 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1beg h SER 92 N 0.00 -1.60 -0.28 -2.13 0.02 -1.76 0.12 113.55 107.92 1beg h SER 92 Ca 0.30 0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 61.37 1beg h SER 92 Cb 0.54 0.60 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 1beg h SER 92 CO -0.93 -0.55 0.00 -0.55 -1.14 0.00 0.00 176.83 173.67 1beg h ASN 93 N -0.73 0.58 -0.57 3.07 7.08 -1.65 -2.28 115.58 121.08 1beg h ASN 93 Ca 0.00 -0.12 -0.04 0.00 -3.08 0.00 0.00 56.30 53.06 1beg h ASN 93 Cb 0.75 -0.15 -0.03 0.00 -2.08 0.00 0.00 38.32 36.81 1beg h ASN 93 CO -0.31 0.65 0.22 0.50 -2.08 0.00 0.00 177.43 176.40 1beg h LYS 94 N 0.58 0.90 -0.17 4.14 1.63 -0.67 -1.60 116.57 121.38 1beg h LYS 94 Ca 0.12 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1beg h LYS 94 Cb 0.37 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1beg h LYS 94 CO 0.01 0.75 0.06 0.00 -3.45 0.00 0.00 179.45 176.83 1beg h SER 96 N 0.11 0.78 0.23 0.00 4.64 -1.23 -2.94 113.55 115.14 1beg h SER 96 Ca 0.06 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1beg h SER 96 Cb 0.21 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1beg h SER 96 CO -0.00 0.83 -0.14 -1.54 -0.87 0.00 0.00 176.83 175.11 1beg n SER 97 N -4.22 0.83 0.00 4.97 3.41 -0.63 -5.13 113.62 112.86 1beg n SER 97 Ca 0.03 -0.87 0.12 0.00 -0.26 0.00 0.00 58.87 57.89 1beg n SER 97 Cb 0.29 0.02 0.72 0.00 -0.26 0.00 0.00 64.21 64.99 1beg n SER 97 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77