#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 0.00 -1.33 1.79 0.00 -1.26 -4.35 120.51 115.35 1beg n ALA 2 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1beg n ALA 2 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.79 0.00 -0.02 0.00 -2.24 -1.26 -4.82 114.28 104.15 1beg n THR 4 Ca 0.09 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.83 1beg n THR 4 Cb 0.48 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.73 -0.29 6.98 0.00 -1.26 -4.22 120.51 120.45 1beg n ALA 5 Ca 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.01 1beg n ALA 5 Cb 0.00 0.10 0.07 0.00 0.00 0.00 0.00 19.45 19.62 1beg n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1beg h THR 6 N -0.43 1.23 -0.31 0.00 1.03 -1.99 -1.90 112.91 110.54 1beg h THR 6 Ca 0.00 -0.51 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 1beg h THR 6 Cb 0.43 0.11 -0.02 0.00 -1.07 0.00 0.00 68.15 67.61 1beg h THR 6 CO 0.00 0.24 0.20 1.56 -0.01 0.00 0.00 175.52 177.51 1beg h GLN 7 N 1.10 0.40 -0.64 0.00 4.20 -1.95 -1.91 115.11 116.30 1beg h GLN 7 Ca 0.29 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.00 1beg h GLN 7 Cb -0.03 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 1beg h GLN 7 CO -0.05 0.26 0.40 0.37 -0.67 0.00 0.00 178.83 179.14 1beg h GLN 8 N 0.41 0.76 -0.19 1.46 4.15 -1.62 -0.13 115.11 119.94 1beg h GLN 8 Ca 0.11 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.36 1beg h GLN 8 Cb -0.04 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 1beg h GLN 8 CO -0.03 0.50 -0.42 1.79 -1.93 0.00 0.00 178.83 178.74 1beg h THR 9 N 0.78 1.31 -0.21 2.39 1.35 -1.10 -0.18 112.91 117.25 1beg h THR 9 Ca 0.26 -1.59 -0.08 0.00 -0.55 0.00 0.00 66.41 64.45 1beg h THR 9 Cb 0.01 1.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1beg h THR 9 CO -0.10 0.49 -0.17 0.00 -0.25 0.00 0.00 175.52 175.49 1beg h ALA 10 N 1.18 0.30 -0.52 6.62 0.00 -0.92 -0.22 119.26 125.70 1beg h ALA 10 Ca 0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1beg h ALA 10 Cb 0.90 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1beg h ALA 10 CO 0.08 0.21 0.31 0.00 0.00 0.00 0.00 179.25 179.85 1beg h ALA 11 N 0.67 0.67 -1.35 0.00 0.00 -0.94 -2.78 119.26 115.52 1beg h ALA 11 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1beg h ALA 11 Cb 0.70 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1beg h ALA 11 CO 0.04 0.16 0.00 0.66 0.00 0.00 0.00 179.25 180.12 1beg n TYR 12 N -4.67 0.00 -0.14 0.00 4.01 -0.09 -2.17 117.16 114.11 1beg n TYR 12 Ca 0.03 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.73 1beg n TYR 12 Cb 0.06 -0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 38.78 1beg n TYR 12 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1beg n LYS 13 N -1.32 -0.14 0.44 -0.72 4.81 -0.11 0.36 118.16 121.47 1beg n LYS 13 Ca 0.00 0.54 -0.19 0.00 -0.87 0.00 0.00 58.31 57.79 1beg n LYS 13 Cb 0.00 -0.79 -0.09 0.00 0.02 0.00 0.00 35.03 34.17 1beg n LYS 13 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1beg h THR 14 N 0.00 0.00 0.00 3.15 2.02 -1.59 -1.41 112.91 115.08 1beg h THR 14 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1beg h THR 14 Cb 0.13 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1beg h THR 14 CO -0.31 0.00 0.00 0.25 0.37 0.00 0.00 175.52 175.83 1beg h LEU 15 N -1.19 0.00 0.00 2.58 6.46 -0.57 -2.54 115.31 120.05 1beg h LEU 15 Ca -0.11 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.53 1beg h LEU 15 Cb 0.94 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 1beg h LEU 15 CO 0.14 0.00 -0.86 0.58 -0.62 0.00 0.00 178.44 177.69 1beg h VAL 16 N 0.00 0.57 -0.93 1.05 2.07 -0.03 -3.32 116.25 115.65 1beg h VAL 16 Ca 0.00 -1.69 0.20 0.00 0.82 0.00 0.00 66.70 66.03 1beg h VAL 16 Cb 0.22 1.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 1beg h VAL 16 CO 0.00 0.19 0.61 -1.28 0.02 0.00 0.00 177.57 177.11 1beg h SER 17 N -1.00 0.51 0.04 0.57 0.87 -1.20 0.64 113.55 113.98 1beg h SER 17 Ca -0.18 0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.35 1beg h SER 17 Cb 0.93 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 1beg h SER 17 CO -0.11 0.20 -0.25 -0.29 -0.53 0.00 0.00 176.83 175.85 1beg h ILE 18 N 0.50 1.25 -0.49 2.23 6.09 -1.60 -2.46 117.51 123.04 1beg h ILE 18 Ca 0.50 -1.18 -0.09 0.00 -1.37 0.00 0.00 64.86 62.72 1beg h ILE 18 Cb 1.10 1.38 -0.02 0.00 0.47 0.00 0.00 36.82 39.76 1beg h ILE 18 CO -0.23 0.37 -0.05 -0.07 -3.07 0.00 0.00 178.15 175.10 1beg h LEU 19 N 0.31 0.88 -0.08 2.19 3.38 -0.97 -2.82 115.31 118.21 1beg h LEU 19 Ca 0.05 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1beg h LEU 19 Cb 0.61 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1beg h LEU 19 CO 0.04 1.00 0.00 -0.24 0.09 0.00 0.00 178.44 179.34 1beg n SER 20 N -4.29 0.42 -4.81 -0.43 2.88 -1.16 -4.83 113.62 101.41 1beg n SER 20 Ca 0.01 0.55 -0.38 0.00 -1.33 0.00 0.00 58.87 57.72 1beg n SER 20 Cb 0.35 -0.66 -0.06 0.00 -0.75 0.00 0.00 64.21 63.09 1beg n SER 20 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1beg s ASP 21 N -3.79 6.84 0.46 -3.46 -1.08 -0.94 -5.01 116.67 109.70 1beg s ASP 21 Ca 0.11 1.00 0.16 0.00 -0.52 0.00 0.00 52.55 53.30 1beg s ASP 21 Cb 0.14 -2.28 1.09 0.00 -1.46 0.00 0.00 42.92 40.41 1beg s ASP 21 CO 0.52 0.25 2.02 0.00 0.52 0.00 0.00 175.17 178.48 1beg h ALA 22 N 5.05 1.70 -0.76 3.66 0.00 -1.88 -3.17 119.26 123.86 1beg h ALA 22 Ca -0.49 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 54.45 1beg h ALA 22 Cb 1.21 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 1beg h ALA 22 CO 0.65 0.19 0.16 1.03 0.00 0.00 0.00 179.25 181.27 1beg h SER 23 N 0.00 -0.05 -0.28 0.00 0.87 -1.93 -1.08 113.55 111.09 1beg h SER 23 Ca -0.00 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1beg h SER 23 Cb 0.28 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1beg h SER 23 CO 0.02 -0.08 0.19 0.15 -0.53 0.00 0.00 176.83 176.58 1beg h PHE 24 N 0.23 0.36 -0.47 2.24 3.57 -1.76 -1.23 116.94 119.88 1beg h PHE 24 Ca 0.43 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.96 1beg h PHE 24 Cb 0.77 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 1beg h PHE 24 CO -0.29 0.23 0.29 -0.97 -2.23 0.00 0.00 178.31 175.34 1beg h ASN 25 N 0.38 0.48 0.14 0.41 -0.00 -1.41 -1.99 115.58 113.59 1beg h ASN 25 Ca 0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.40 1beg h ASN 25 Cb -0.04 -0.11 -0.01 0.00 -0.00 0.00 0.00 38.32 38.16 1beg h ASN 25 CO -0.02 0.34 -0.13 1.56 -0.00 0.00 0.00 177.43 179.18 1beg h GLN 26 N 0.58 -0.28 0.24 6.67 1.08 -1.12 -1.96 115.11 120.31 1beg h GLN 26 Ca 0.18 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.41 1beg h GLN 26 Cb -0.01 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1beg h GLN 26 CO -0.07 -0.19 -0.37 0.00 -0.95 0.00 0.00 178.83 177.25 1beg h SER 28 N -0.68 -0.32 0.05 0.00 0.87 -1.25 -2.01 113.55 110.21 1beg h SER 28 Ca 0.00 0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1beg h SER 28 Cb 0.66 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1beg h SER 28 CO -0.14 -0.15 -0.02 0.74 -0.53 0.00 0.00 176.83 176.72 1beg h THR 29 N 0.11 1.17 -0.45 2.23 2.02 -1.14 -1.82 112.91 115.04 1beg h THR 29 Ca 0.37 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 1beg h THR 29 Cb 0.62 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1beg h THR 29 CO -0.60 0.19 -0.02 0.44 0.37 0.00 0.00 175.52 175.90 1beg h ASP 30 N -0.41 0.80 0.00 4.18 3.32 -1.20 -3.40 116.42 119.71 1beg h ASP 30 Ca -0.01 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1beg h ASP 30 Cb 0.37 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1beg h ASP 30 CO 0.01 0.92 0.00 -0.24 -1.72 0.00 0.00 179.24 178.21 1beg n SER 31 N -4.36 0.00 0.00 6.45 2.88 -0.77 -4.98 113.62 112.84 1beg n SER 31 Ca -0.00 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1beg n SER 31 Cb 0.32 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 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 2.10 1.28 0.00 0.46 0.00 -0.68 -4.96 105.19 103.39 1beg n GLY 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1beg n GLY 32 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1beg n TYR 33 N 0.00 0.00 -2.71 1.61 9.36 -1.26 -4.98 117.16 119.18 1beg n TYR 33 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.20 1beg n TYR 33 Cb 0.00 -0.32 -0.02 0.00 -0.63 0.00 0.00 39.34 38.37 1beg n TYR 33 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1beg n SER 34 N -1.94 -5.30 -0.16 2.98 3.41 -1.26 -4.29 113.62 107.06 1beg n SER 34 Ca 0.00 1.35 0.24 0.00 -0.26 0.00 0.00 58.87 60.21 1beg n SER 34 Cb 0.00 -5.06 0.66 0.00 -0.26 0.00 0.00 64.21 59.55 1beg n SER 34 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1beg h MET 35 N 3.52 0.11 -0.88 4.33 4.05 -1.92 0.54 114.93 124.68 1beg h MET 35 Ca -0.20 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 1beg h MET 35 Cb 0.50 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.23 1beg h MET 35 CO 0.06 0.07 0.55 -0.07 0.23 0.00 0.00 176.91 177.76 1beg h LEU 36 N 0.11 1.03 -2.95 3.39 3.38 -1.97 -3.07 115.31 115.24 1beg h LEU 36 Ca 0.40 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1beg h LEU 36 Cb 1.43 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1beg h LEU 36 CO -0.05 0.77 0.00 0.35 0.09 0.00 0.00 178.44 179.60 1beg n THR 37 N -4.38 1.09 -4.48 0.22 -2.24 -0.40 -3.77 114.28 100.33 1beg n THR 37 Ca 0.10 -1.08 -0.20 0.00 -2.27 0.00 0.00 64.05 60.59 1beg n THR 37 Cb 0.04 0.44 -0.15 0.00 -2.10 0.00 0.00 70.33 68.57 1beg n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1beg s ALA 38 N -1.15 1.00 0.15 6.98 0.00 0.04 -4.95 121.76 123.84 1beg s ALA 38 Ca 0.16 -0.57 -0.28 0.00 0.00 0.00 0.00 51.96 51.27 1beg s ALA 38 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 1beg s ALA 38 CO 0.09 0.23 1.56 1.57 0.00 0.00 0.00 175.76 179.22 1beg h LYS 39 N 5.65 -0.29 0.00 0.00 -0.00 -1.82 -3.42 116.57 116.69 1beg h LYS 39 Ca -0.34 0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.33 1beg h LYS 39 Cb 1.17 0.07 0.00 0.00 -0.00 0.00 0.00 32.23 33.47 1beg h LYS 39 CO 0.48 -0.19 0.00 0.00 -0.00 0.00 0.00 179.45 179.74 1beg n ALA 40 N -3.11 0.00 -1.67 0.07 0.00 -1.26 -4.54 120.51 110.00 1beg n ALA 40 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 53.44 52.88 1beg n ALA 40 Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 1beg n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1beg n LEU 41 N 0.00 2.21 -4.89 0.00 4.77 -1.26 -4.93 117.00 112.91 1beg n LEU 41 Ca 0.00 1.08 -0.30 0.00 -0.03 0.00 0.00 56.01 56.77 1beg n LEU 41 Cb 0.00 -1.17 0.16 0.00 -2.33 0.00 0.00 43.42 40.09 1beg n LEU 41 CO 0.00 -0.60 0.82 -2.16 -1.33 0.00 0.00 177.39 174.12 1beg s PRO 42 N 2.61 0.83 0.39 3.23 0.04 -1.26 -5.08 135.00 135.76 1beg s PRO 42 Ca 0.94 -0.21 -0.17 0.00 0.04 0.00 0.00 61.00 61.60 1beg s PRO 42 Cb -1.02 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 31.58 1beg s PRO 42 CO 0.59 -2.31 0.85 0.95 0.04 0.00 0.00 177.00 177.12 1beg s THR 43 N -3.70 4.55 0.38 1.26 -4.23 -1.26 -4.83 115.64 107.81 1beg s THR 43 Ca 0.70 1.19 0.22 0.00 -1.18 0.00 0.00 61.69 62.62 1beg s THR 43 Cb -0.07 -3.62 0.39 0.00 1.34 0.00 0.00 72.50 70.54 1beg s THR 43 CO 0.52 -0.30 1.61 0.00 -0.54 0.00 0.00 174.62 175.91 1beg h THR 44 N 1.82 0.10 0.16 3.99 1.03 -1.98 0.78 112.91 118.81 1beg h THR 44 Ca -0.48 -0.03 -0.01 0.00 -0.01 0.00 0.00 66.41 65.88 1beg h THR 44 Cb 1.18 -0.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.25 1beg h THR 44 CO 0.63 0.02 -0.08 0.00 -0.01 0.00 0.00 175.52 176.08 1beg h ALA 45 N 1.85 -0.22 -0.78 0.00 0.00 -2.00 -0.93 119.26 117.19 1beg h ALA 45 Ca 0.82 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.60 1beg h ALA 45 Cb 2.24 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 20.07 1beg h ALA 45 CO -0.63 -0.57 0.32 1.96 0.00 0.00 0.00 179.25 180.33 1beg h GLN 46 N -0.32 1.15 -0.46 0.00 1.08 -1.30 -2.76 115.11 112.50 1beg h GLN 46 Ca -0.02 -0.20 0.04 0.00 -1.45 0.00 0.00 58.65 57.02 1beg h GLN 46 Cb 0.25 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.45 1beg h GLN 46 CO 0.04 0.92 0.23 1.88 -0.95 0.00 0.00 178.83 180.95 1beg h TYR 47 N 1.12 0.43 -0.27 2.96 0.05 -0.73 -0.34 116.97 120.19 1beg h TYR 47 Ca 0.26 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.05 1beg h TYR 47 Cb 0.19 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1beg h TYR 47 CO 0.02 0.22 0.12 0.87 -1.05 0.00 0.00 178.16 178.34 1beg h LYS 48 N 0.47 0.40 -0.60 4.88 1.57 -0.93 -2.23 116.57 120.13 1beg h LYS 48 Ca 0.20 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1beg h LYS 48 Cb 0.10 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1beg h LYS 48 CO -0.14 0.42 0.39 -0.07 -0.57 0.00 0.00 179.45 179.48 1beg h LEU 49 N 0.30 0.67 -1.18 2.94 3.38 -1.20 -2.90 115.31 117.33 1beg h LEU 49 Ca 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1beg h LEU 49 Cb 0.16 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1beg h LEU 49 CO -0.01 0.48 0.46 0.24 0.09 0.00 0.00 178.44 179.70 1beg h MET 50 N 0.80 1.02 -0.56 1.13 2.86 -0.82 -2.53 114.93 116.83 1beg h MET 50 Ca 0.23 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1beg h MET 50 Cb -0.07 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.35 1beg h MET 50 CO -0.06 0.71 0.34 0.00 1.06 0.00 0.00 176.91 178.96 1beg h ALA 52 N 1.61 0.66 -2.30 0.00 0.00 -1.58 -3.49 119.26 114.15 1beg h ALA 52 Ca 0.20 -1.38 -0.58 0.00 0.00 0.00 0.00 54.91 53.15 1beg h ALA 52 Cb -0.04 0.44 0.06 0.00 0.00 0.00 0.00 17.79 18.25 1beg h ALA 52 CO -0.04 1.49 0.79 0.45 0.00 0.00 0.00 179.25 181.95 1beg n SER 53 N -3.16 3.12 0.12 0.00 2.88 -0.97 -4.98 113.62 110.63 1beg n SER 53 Ca -0.17 1.09 -0.12 0.00 -1.33 0.00 0.00 58.87 58.34 1beg n SER 53 Cb 1.04 -1.44 -0.08 0.00 -0.75 0.00 0.00 64.21 62.99 1beg n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1beg h THR 54 N 3.57 0.74 -0.13 2.46 1.03 -1.93 -3.18 112.91 115.46 1beg h THR 54 Ca -0.45 -0.81 0.04 0.00 -0.01 0.00 0.00 66.41 65.18 1beg h THR 54 Cb 1.25 1.14 -0.04 0.00 -1.07 0.00 0.00 68.15 69.43 1beg h THR 54 CO 0.88 0.15 -0.13 0.00 -0.01 0.00 0.00 175.52 176.42 1beg h ALA 55 N -0.27 -0.03 -0.61 0.00 0.00 -1.92 -2.09 119.26 114.33 1beg h ALA 55 Ca -0.03 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1beg h ALA 55 Cb 0.51 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 1beg h ALA 55 CO 0.06 -0.58 -0.13 0.00 0.00 0.00 0.00 179.25 178.61 1beg h ASN 57 N 0.02 0.97 -0.25 0.00 -0.26 -1.47 -2.77 115.58 111.82 1beg h ASN 57 Ca 0.30 -0.23 0.03 0.00 -0.56 0.00 0.00 56.30 55.83 1beg h ASN 57 Cb 0.46 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.44 1beg h ASN 57 CO -0.61 0.98 0.08 0.74 -1.06 0.00 0.00 177.43 177.56 1beg h THR 58 N 0.94 0.92 0.37 2.81 2.02 -0.37 -0.38 112.91 119.22 1beg h THR 58 Ca 0.19 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 1beg h THR 58 Cb 0.45 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1beg h THR 58 CO 0.02 0.03 -0.18 0.24 0.37 0.00 0.00 175.52 176.00 1beg h MET 59 N 0.18 -0.47 0.56 6.66 2.86 -1.32 -2.47 114.93 120.93 1beg h MET 59 Ca 0.11 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1beg h MET 59 Cb 0.08 0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1beg h MET 59 CO -0.12 -0.25 -0.30 0.82 1.06 0.00 0.00 176.91 178.12 1beg h ILE 60 N -0.60 0.38 -0.98 -1.22 2.04 -1.44 -2.52 117.51 113.17 1beg h ILE 60 Ca -0.05 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.01 1beg h ILE 60 Cb 0.44 0.38 -0.11 0.00 -0.74 0.00 0.00 36.82 36.80 1beg h ILE 60 CO 0.08 0.00 0.58 0.50 0.00 0.00 0.00 178.15 179.31 1beg h LYS 61 N -0.80 0.68 0.13 2.37 1.63 -1.13 -0.23 116.57 119.22 1beg h LYS 61 Ca -0.07 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1beg h LYS 61 Cb 0.63 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1beg h LYS 61 CO 0.10 0.45 -0.06 -0.22 -3.45 0.00 0.00 179.45 176.27 1beg h LYS 62 N 0.70 -0.17 -0.25 1.90 3.64 -1.20 -0.83 116.57 120.36 1beg h LYS 62 Ca 0.58 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.99 1beg h LYS 62 Cb 0.94 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 1beg h LYS 62 CO -0.40 -0.01 0.10 0.82 -2.27 0.00 0.00 179.45 177.68 1beg h ILE 63 N -0.29 0.95 0.46 2.00 2.04 -0.76 -1.15 117.51 120.76 1beg h ILE 63 Ca -0.02 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1beg h ILE 63 Cb 0.23 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1beg h ILE 63 CO 0.03 0.04 -0.34 0.58 0.00 0.00 0.00 178.15 178.46 1beg h VAL 64 N 0.22 0.31 -0.66 1.67 2.07 -1.00 -0.99 116.25 117.86 1beg h VAL 64 Ca 0.11 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.74 1beg h VAL 64 Cb 0.07 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 1beg h VAL 64 CO -0.11 0.00 0.44 0.74 0.02 0.00 0.00 177.57 178.67 1beg h THR 65 N -0.78 0.88 0.03 2.57 2.02 -1.02 -2.39 112.91 114.22 1beg h THR 65 Ca -0.05 -0.16 -0.24 0.00 0.77 0.00 0.00 66.41 66.74 1beg h THR 65 Cb 0.66 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1beg h THR 65 CO 0.01 0.08 -1.16 0.17 0.37 0.00 0.00 175.52 175.00 1beg h LEU 66 N 0.46 0.10 -2.33 2.58 8.10 -0.86 -3.50 115.31 119.85 1beg h LEU 66 Ca 0.31 -0.12 0.00 0.00 0.11 0.00 0.00 57.88 58.19 1beg h LEU 66 Cb 0.60 -0.03 -0.04 0.00 -0.44 0.00 0.00 40.66 40.75 1beg h LEU 66 CO -0.09 1.09 -0.91 0.59 -4.11 0.00 0.00 178.44 175.00 1beg n ASN 67 N -3.35 -4.07 -4.89 0.17 3.02 -0.41 -5.05 115.26 100.68 1beg n ASN 67 Ca -0.05 1.03 -0.29 0.00 -0.03 0.00 0.00 54.58 55.24 1beg n ASN 67 Cb 0.97 -4.16 -0.00 0.00 -0.61 0.00 0.00 39.78 35.99 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 -1.01 3.62 -0.15 3.52 0.04 -1.26 -5.07 135.00 134.69 1beg s PRO 68 Ca -0.09 0.45 -0.26 0.00 0.04 0.00 0.00 61.00 61.15 1beg s PRO 68 Cb 0.01 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1beg s PRO 68 CO 0.58 -0.29 0.84 -1.25 0.04 0.00 0.00 177.00 176.92 1beg s PRO 69 N -4.70 4.32 -0.53 0.56 0.04 -1.26 -4.92 135.00 128.52 1beg s PRO 69 Ca 0.51 1.05 -0.32 0.00 0.04 0.00 0.00 61.00 62.28 1beg s PRO 69 Cb -0.10 -3.56 -0.13 0.00 0.04 0.00 0.00 34.50 30.75 1beg s PRO 69 CO 0.45 -0.30 2.36 0.27 0.04 0.00 0.00 177.00 179.82 1beg n ASN 70 N 5.09 1.73 -3.60 6.66 6.94 -1.26 -4.82 115.26 126.00 1beg n ASN 70 Ca 0.04 0.14 -0.10 0.00 -0.02 0.00 0.00 54.58 54.65 1beg n ASN 70 Cb 0.49 -1.26 -0.06 0.00 -2.36 0.00 0.00 39.78 36.59 1beg n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1beg s ASP 72 N -0.56 6.74 0.17 0.00 1.01 -1.26 -4.35 116.67 118.42 1beg s ASP 72 Ca 0.00 2.30 0.10 0.00 0.71 0.00 0.00 52.55 55.66 1beg s ASP 72 Cb -0.02 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1beg s ASP 72 CO -0.02 -0.52 -0.21 -0.22 0.21 0.00 0.00 175.17 174.42 1beg s LEU 73 N -2.24 2.42 -0.06 1.23 2.96 -0.44 -3.55 118.68 119.00 1beg s LEU 73 Ca 0.54 -0.84 0.05 0.00 -0.22 0.00 0.00 54.13 53.65 1beg s LEU 73 Cb -0.30 -0.96 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 1beg s LEU 73 CO 0.38 0.04 -0.20 0.42 -1.32 0.00 0.00 176.35 175.67 1beg s THR 74 N -1.81 2.50 -0.44 3.68 -4.23 -1.26 -1.24 115.64 112.84 1beg s THR 74 Ca 0.17 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1beg s THR 74 Cb -0.07 -1.95 0.12 0.00 1.34 0.00 0.00 72.50 71.94 1beg s THR 74 CO 0.08 0.57 0.21 -0.69 -0.54 0.00 0.00 174.62 174.25 1beg s VAL 75 N -0.31 2.99 0.18 2.29 1.01 -0.81 -4.98 120.40 120.77 1beg s VAL 75 Ca 0.01 -2.48 0.35 0.00 0.00 0.00 0.00 61.98 59.87 1beg s VAL 75 Cb -0.13 -3.07 0.40 0.00 0.00 0.00 0.00 36.38 33.58 1beg s VAL 75 CO 0.02 -0.71 2.04 1.55 0.00 0.00 0.00 175.10 178.00 1beg h PRO 76 N 7.53 0.00 0.05 2.72 0.13 -1.99 -2.12 132.00 138.33 1beg h PRO 76 Ca -0.08 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.80 1beg h PRO 76 Cb 1.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 1beg h PRO 76 CO 0.65 0.00 -1.25 0.00 -0.23 0.00 0.00 178.00 177.18 1beg h THR 77 N 0.00 1.45 0.08 1.56 1.03 -1.94 -3.37 112.91 111.72 1beg h THR 77 Ca 0.00 -3.13 -0.30 0.00 -0.01 0.00 0.00 66.41 62.96 1beg h THR 77 Cb 0.41 2.81 -0.02 0.00 -1.07 0.00 0.00 68.15 70.27 1beg h THR 77 CO 0.00 0.87 -1.65 0.77 -0.01 0.00 0.00 175.52 175.50 1beg h SER 78 N 0.03 0.25 0.00 0.00 4.64 -1.63 -3.45 113.55 113.39 1beg h SER 78 Ca -0.12 -0.77 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 1beg h SER 78 Cb 1.90 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.90 1beg h SER 78 CO 0.15 1.69 0.00 0.61 -0.87 0.00 0.00 176.83 178.41 1beg n GLY 79 N 1.74 0.66 3.69 -0.77 0.00 -0.80 -4.65 105.19 105.06 1beg n GLY 79 Ca -0.31 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 -0.29 -0.04 0.99 2.96 -1.20 -4.97 118.68 116.12 1beg s LEU 80 Ca 0.00 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1beg s LEU 80 Cb 0.00 2.34 -0.04 0.00 0.50 0.00 0.00 46.19 48.99 1beg s LEU 80 CO 0.00 -0.97 0.05 -0.69 -1.32 0.00 0.00 176.35 173.42 1beg s VAL 81 N -3.48 4.59 -0.05 1.68 1.01 -1.26 -1.93 120.40 120.97 1beg s VAL 81 Ca 0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1beg s VAL 81 Cb -0.02 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.35 1beg s VAL 81 CO -0.01 0.47 0.13 -0.22 0.00 0.00 0.00 175.10 175.47 1beg s LEU 82 N -1.35 1.43 -0.49 3.92 2.96 -0.37 -4.91 118.68 119.87 1beg s LEU 82 Ca 0.18 0.26 -0.18 0.00 -0.22 0.00 0.00 54.13 54.17 1beg s LEU 82 Cb -0.12 0.43 0.06 0.00 0.50 0.00 0.00 46.19 47.06 1beg s LEU 82 CO 0.08 -0.06 0.57 0.21 -1.32 0.00 0.00 176.35 175.84 1beg s ASN 83 N 0.18 6.21 0.19 3.68 3.84 -1.26 -1.33 114.94 126.44 1beg s ASN 83 Ca -0.01 -0.96 -0.06 0.00 0.21 0.00 0.00 52.86 52.04 1beg s ASN 83 Cb -0.02 -2.27 0.10 0.00 -0.55 0.00 0.00 41.25 38.51 1beg s ASN 83 CO -0.00 -0.82 1.54 0.58 -2.79 0.00 0.00 177.10 175.60 1beg h VAL 84 N 5.83 1.29 0.07 -5.21 2.07 -1.94 -3.10 116.25 115.26 1beg h VAL 84 Ca -0.28 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 65.69 1beg h VAL 84 Cb 1.10 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 1beg h VAL 84 CO 0.94 0.51 -0.44 0.22 0.02 0.00 0.00 177.57 178.82 1beg h TYR 85 N 0.60 -1.27 0.00 1.57 3.20 -1.88 -2.85 116.97 116.34 1beg h TYR 85 Ca 0.05 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1beg h TYR 85 Cb 0.94 0.54 -0.01 0.00 1.54 0.00 0.00 36.73 39.75 1beg h TYR 85 CO 0.05 -0.48 -0.21 0.77 -1.64 0.00 0.00 178.16 176.64 1beg h SER 86 N -0.60 0.00 0.15 -2.11 0.02 -1.97 -3.33 113.55 105.71 1beg h SER 86 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1beg h SER 86 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1beg h SER 86 CO -0.25 0.21 -0.08 0.22 -1.14 0.00 0.00 176.83 175.79 1beg h TYR 87 N 0.00 -0.21 -0.57 3.45 3.20 -1.42 -2.65 116.97 118.76 1beg h TYR 87 Ca -0.00 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1beg h TYR 87 Cb 0.66 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.94 1beg h TYR 87 CO 0.00 -0.13 0.25 0.00 -1.64 0.00 0.00 178.16 176.64 1beg h ALA 88 N -1.84 0.74 0.75 1.82 0.00 -1.71 -0.60 119.26 118.42 1beg h ALA 88 Ca -0.02 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1beg h ALA 88 Cb 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1beg h ALA 88 CO 0.03 -0.13 -0.45 -0.91 0.00 0.00 0.00 179.25 177.79 1beg h ASN 89 N 0.47 -1.12 1.75 0.00 4.21 -1.67 -3.24 115.58 115.97 1beg h ASN 89 Ca 0.27 0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.83 1beg h ASN 89 Cb 0.27 0.32 -0.00 0.00 -1.12 0.00 0.00 38.32 37.79 1beg h ASN 89 CO -0.24 -0.70 -0.06 1.23 -1.29 0.00 0.00 177.43 176.38 1beg h GLY 90 N -1.12 0.00 -0.93 2.83 0.00 -1.44 -3.39 103.07 99.02 1beg h GLY 90 Ca -0.10 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.32 1beg h GLY 90 CO 0.11 0.00 -0.52 0.33 0.00 0.00 0.00 176.54 176.45 1beg n PHE 91 N -3.12 -0.35 -0.08 5.60 7.35 -0.24 -1.48 117.46 125.15 1beg n PHE 91 Ca 0.03 1.16 -0.07 0.00 -0.76 0.00 0.00 57.45 57.81 1beg n PHE 91 Cb 0.51 -0.61 -0.01 0.00 0.35 0.00 0.00 39.48 39.72 1beg n PHE 91 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1beg h SER 92 N 0.00 -0.21 -0.36 -2.13 0.87 -1.77 -0.38 113.55 109.58 1beg h SER 92 Ca 0.17 0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.85 1beg h SER 92 Cb 0.40 0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 1beg h SER 92 CO -0.88 -0.07 0.11 -1.13 -0.53 0.00 0.00 176.83 174.33 1beg h ASN 93 N 0.03 0.10 -0.30 6.23 -0.73 -1.51 -1.05 115.58 118.34 1beg h ASN 93 Ca 0.14 0.05 -0.05 0.00 1.87 0.00 0.00 56.30 58.30 1beg h ASN 93 Cb 0.21 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.82 1beg h ASN 93 CO -0.27 0.09 0.02 0.11 -0.37 0.00 0.00 177.43 177.01 1beg h LYS 94 N 0.25 0.62 -0.55 6.67 6.56 -0.74 -2.31 116.57 127.07 1beg h LYS 94 Ca 0.17 -0.14 -0.04 0.00 -1.06 0.00 0.00 60.65 59.57 1beg h LYS 94 Cb 0.16 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 31.70 1beg h LYS 94 CO -0.18 0.63 0.18 0.00 -2.06 0.00 0.00 179.45 178.01 1beg h SER 96 N 0.77 0.00 0.27 0.00 0.87 -0.99 -3.27 113.55 111.19 1beg h SER 96 Ca 0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1beg h SER 96 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1beg h SER 96 CO -0.01 0.55 -1.21 -1.54 -0.53 0.00 0.00 176.83 174.10 1beg n SER 97 N -3.88 0.58 -0.52 6.23 3.41 -0.90 -5.12 113.62 113.42 1beg n SER 97 Ca -0.01 -0.33 0.14 0.00 -0.26 0.00 0.00 58.87 58.41 1beg n SER 97 Cb 0.56 1.06 0.49 0.00 -0.26 0.00 0.00 64.21 66.07 1beg n SER 97 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77