#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 -1.04 -1.77 6.98 0.00 -1.20 -4.96 120.51 118.52 1beg n ALA 2 Ca 0.00 0.18 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 1beg n ALA 2 Cb 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 1beg n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1beg s THR 4 N -1.40 0.87 0.00 0.00 2.01 -1.26 -4.59 115.64 111.26 1beg s THR 4 Ca 0.49 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1beg s THR 4 Cb -0.25 -0.83 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1beg s THR 4 CO 0.32 -0.16 0.00 0.00 -0.69 0.00 0.00 174.62 174.09 1beg n ALA 5 N 1.72 0.00 0.15 7.40 0.00 -1.26 -1.67 120.51 126.85 1beg n ALA 5 Ca -0.20 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.31 1beg n ALA 5 Cb 0.55 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.56 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 0.00 1.03 -0.38 0.00 1.03 -1.98 -2.32 112.91 110.29 1beg h THR 6 Ca 0.00 -0.07 0.03 0.00 -0.01 0.00 0.00 66.41 66.36 1beg h THR 6 Cb 0.00 0.79 -0.03 0.00 -1.07 0.00 0.00 68.15 67.84 1beg h THR 6 CO 0.00 0.04 0.17 1.56 -0.01 0.00 0.00 175.52 177.28 1beg h GLN 7 N 0.22 0.35 0.03 0.00 4.20 -1.71 0.21 115.11 118.41 1beg h GLN 7 Ca 0.07 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1beg h GLN 7 Cb 0.01 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1beg h GLN 7 CO -0.01 0.23 -0.01 0.37 -0.67 0.00 0.00 178.83 178.73 1beg h GLN 8 N 0.36 -0.04 0.00 1.46 4.15 -1.50 -2.51 115.11 117.03 1beg h GLN 8 Ca 0.17 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.52 1beg h GLN 8 Cb 0.10 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1beg h GLN 8 CO -0.13 0.38 -0.31 0.00 -1.93 0.00 0.00 178.83 176.84 1beg h THR 9 N -0.47 1.14 -0.02 2.39 1.03 -1.34 0.19 112.91 115.83 1beg h THR 9 Ca -0.00 -1.08 -0.00 0.00 -0.01 0.00 0.00 66.41 65.31 1beg h THR 9 Cb 0.44 1.60 -0.00 0.00 -1.07 0.00 0.00 68.15 69.11 1beg h THR 9 CO 0.01 0.30 -0.00 0.00 -0.01 0.00 0.00 175.52 175.82 1beg h ALA 10 N 1.69 0.03 -0.62 0.00 0.00 -0.97 -1.09 119.26 118.31 1beg h ALA 10 Ca -0.00 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1beg h ALA 10 Cb 0.57 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1beg h ALA 10 CO 0.04 -0.31 0.41 0.00 0.00 0.00 0.00 179.25 179.39 1beg h ALA 11 N 0.69 1.56 0.85 0.00 0.00 -1.03 -2.82 119.26 118.52 1beg h ALA 11 Ca 0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1beg h ALA 11 Cb 0.33 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1beg h ALA 11 CO 0.00 0.40 -0.41 1.88 0.00 0.00 0.00 179.25 181.13 1beg h TYR 12 N 0.83 -1.06 -0.84 0.00 0.05 -0.09 -0.58 116.97 115.27 1beg h TYR 12 Ca 0.23 -0.03 0.20 0.00 0.05 0.00 0.00 58.73 59.18 1beg h TYR 12 Cb -0.09 0.35 -0.15 0.00 1.01 0.00 0.00 36.73 37.85 1beg h TYR 12 CO -0.00 -0.66 -0.02 -0.22 -1.05 0.00 0.00 178.16 176.21 1beg h LYS 13 N -1.21 0.06 0.02 4.88 3.64 -1.00 0.25 116.57 123.22 1beg h LYS 13 Ca -0.12 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1beg h LYS 13 Cb 0.88 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1beg h LYS 13 CO 0.19 0.04 -0.01 1.15 -2.27 0.00 0.00 179.45 178.55 1beg h THR 14 N 0.06 0.00 -0.02 1.00 2.02 -1.36 -2.60 112.91 112.02 1beg h THR 14 Ca 0.47 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.65 1beg h THR 14 Cb 0.85 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1beg h THR 14 CO -0.78 0.00 -0.26 0.25 0.37 0.00 0.00 175.52 175.10 1beg h LEU 15 N -0.03 -0.81 -0.59 2.58 5.85 -0.74 -2.65 115.31 118.92 1beg h LEU 15 Ca -0.00 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.93 1beg h LEU 15 Cb 0.02 0.31 -0.11 0.00 0.37 0.00 0.00 40.66 41.25 1beg h LEU 15 CO 0.00 -0.25 -0.11 0.58 -0.34 0.00 0.00 178.44 178.32 1beg h VAL 16 N -0.31 0.43 -0.76 1.05 2.07 -0.69 -0.44 116.25 117.59 1beg h VAL 16 Ca 0.01 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1beg h VAL 16 Cb 0.34 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1beg h VAL 16 CO -0.18 0.00 0.50 0.28 0.02 0.00 0.00 177.57 178.20 1beg h SER 17 N 0.02 0.79 -0.31 0.57 0.02 -1.32 -2.20 113.55 111.11 1beg h SER 17 Ca 0.29 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.20 1beg h SER 17 Cb 0.45 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1beg h SER 17 CO -0.59 0.53 0.05 -0.29 -1.14 0.00 0.00 176.83 175.40 1beg h ILE 18 N 0.91 1.23 -0.57 3.27 -0.00 -0.73 -3.13 117.51 118.49 1beg h ILE 18 Ca 0.31 -0.81 0.10 0.00 -0.00 0.00 0.00 64.86 64.46 1beg h ILE 18 Cb 0.09 1.16 -0.08 0.00 -0.00 0.00 0.00 36.82 37.99 1beg h ILE 18 CO -0.09 0.27 0.14 -0.07 -0.00 0.00 0.00 178.15 178.39 1beg h LEU 19 N 0.35 0.05 -2.24 2.19 3.38 -0.93 -1.52 115.31 116.59 1beg h LEU 19 Ca 0.10 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1beg h LEU 19 Cb 0.34 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1beg h LEU 19 CO 0.01 0.04 0.11 -0.24 0.09 0.00 0.00 178.44 178.45 1beg n SER 20 N -5.10 2.88 -4.17 -0.43 2.88 -1.10 -4.88 113.62 103.71 1beg n SER 20 Ca 0.08 -2.35 -0.27 0.00 -1.33 0.00 0.00 58.87 54.99 1beg n SER 20 Cb 0.29 -0.57 -0.16 0.00 -0.75 0.00 0.00 64.21 63.01 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 0.23 2.40 0.59 -3.46 2.15 -0.57 -5.04 116.67 112.96 1beg s ASP 21 Ca 0.14 -0.39 0.29 0.00 0.43 0.00 0.00 52.55 53.02 1beg s ASP 21 Cb 0.12 -0.63 1.72 0.00 -0.30 0.00 0.00 42.92 43.83 1beg s ASP 21 CO 0.03 0.18 2.16 0.00 -0.17 0.00 0.00 175.17 177.38 1beg h ALA 22 N 6.15 1.69 -0.36 3.66 0.00 -1.90 -3.06 119.26 125.45 1beg h ALA 22 Ca -0.33 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.63 1beg h ALA 22 Cb 1.17 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1beg h ALA 22 CO 0.48 -0.18 0.06 1.03 0.00 0.00 0.00 179.25 180.63 1beg h SER 23 N 0.00 -0.02 -0.20 0.00 0.87 -1.92 -1.84 113.55 110.43 1beg h SER 23 Ca 0.05 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1beg h SER 23 Cb 0.30 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1beg h SER 23 CO -0.00 0.02 0.08 0.15 -0.53 0.00 0.00 176.83 176.56 1beg h PHE 24 N 0.17 0.15 -0.28 2.24 3.57 -1.79 -1.92 116.94 119.08 1beg h PHE 24 Ca 0.17 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.75 1beg h PHE 24 Cb 0.21 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 1beg h PHE 24 CO -0.20 0.08 -0.19 -0.91 -2.23 0.00 0.00 178.31 174.86 1beg h ASN 25 N 0.18 -0.62 -0.51 0.41 4.21 -1.58 -0.85 115.58 116.82 1beg h ASN 25 Ca 0.09 0.13 0.02 0.00 1.21 0.00 0.00 56.30 57.74 1beg h ASN 25 Cb 0.04 0.31 -0.03 0.00 -1.12 0.00 0.00 38.32 37.53 1beg h ASN 25 CO -0.08 -0.23 0.32 1.56 -1.29 0.00 0.00 177.43 177.71 1beg h GLN 26 N -0.17 0.62 0.71 0.81 1.08 -1.12 -0.73 115.11 116.31 1beg h GLN 26 Ca 0.15 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 1beg h GLN 26 Cb 0.40 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1beg h GLN 26 CO -0.38 0.41 -0.38 0.00 -0.95 0.00 0.00 178.83 177.53 1beg h SER 28 N -1.00 0.34 -0.33 0.00 4.64 -1.15 -2.22 113.55 113.82 1beg h SER 28 Ca -0.10 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.11 1beg h SER 28 Cb 0.78 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1beg h SER 28 CO 0.13 0.19 -0.27 0.74 -0.87 0.00 0.00 176.83 176.76 1beg h THR 29 N 0.37 1.29 0.28 2.95 2.02 -0.93 -1.13 112.91 117.76 1beg h THR 29 Ca 0.31 -1.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 1beg h THR 29 Cb 0.69 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1beg h THR 29 CO -0.08 0.46 -0.13 0.44 0.37 0.00 0.00 175.52 176.58 1beg h ASP 30 N 0.54 -0.31 0.00 4.18 3.32 -0.77 -3.39 116.42 119.98 1beg h ASP 30 Ca 0.06 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 1beg h ASP 30 Cb 0.84 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 1beg h ASP 30 CO 0.07 0.14 -0.15 0.77 -1.72 0.00 0.00 179.24 178.35 1beg h SER 31 N -0.87 0.00 0.00 6.45 4.64 -1.62 -3.50 113.55 118.65 1beg h SER 31 Ca -0.04 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 1beg h SER 31 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1beg h SER 31 CO 0.06 1.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.64 1beg n GLY 32 N 1.61 0.65 3.70 -0.77 0.00 -0.43 -5.06 105.19 104.89 1beg n GLY 32 Ca -0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 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 2.57 -3.82 1.61 9.36 -1.26 -4.91 117.16 120.71 1beg n TYR 33 Ca 0.00 0.14 -0.30 0.00 3.32 0.00 0.00 57.90 61.06 1beg n TYR 33 Cb 0.00 -2.62 -0.14 0.00 -0.63 0.00 0.00 39.34 35.95 1beg n TYR 33 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1beg s SER 34 N 1.03 4.13 0.31 2.98 1.04 -1.26 -4.36 113.70 117.56 1beg s SER 34 Ca 0.76 -2.22 0.04 0.00 0.48 0.00 0.00 55.95 55.02 1beg s SER 34 Cb -0.57 -1.19 0.51 0.00 0.10 0.00 0.00 66.02 64.87 1beg s SER 34 CO 0.35 -0.34 1.78 -0.03 0.98 0.00 0.00 173.24 175.98 1beg h MET 35 N 7.39 0.42 -0.85 4.02 4.05 -1.94 -3.20 114.93 124.81 1beg h MET 35 Ca -0.07 -0.14 0.21 0.00 -0.28 0.00 0.00 59.70 59.42 1beg h MET 35 Cb 0.98 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.69 1beg h MET 35 CO 0.51 0.61 0.58 1.25 0.23 0.00 0.00 176.91 180.09 1beg h LEU 36 N 0.38 0.28 -5.61 3.39 5.85 -2.02 -3.15 115.31 114.43 1beg h LEU 36 Ca 0.06 0.03 -0.44 0.00 0.84 0.00 0.00 57.88 58.37 1beg h LEU 36 Cb 0.57 -0.02 -0.40 0.00 0.37 0.00 0.00 40.66 41.18 1beg h LEU 36 CO 0.04 0.11 -1.19 1.07 -0.34 0.00 0.00 178.44 178.14 1beg n THR 37 N -4.44 0.33 -3.66 1.05 5.66 -1.21 -4.08 114.28 107.93 1beg n THR 37 Ca 0.18 -4.06 -0.10 0.00 -3.05 0.00 0.00 64.05 57.03 1beg n THR 37 Cb 0.73 0.05 -0.08 0.00 -1.55 0.00 0.00 70.33 69.48 1beg n THR 37 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1beg s ALA 38 N -2.71 -1.59 -0.69 1.79 0.00 -1.19 -4.93 121.76 112.44 1beg s ALA 38 Ca 0.36 2.03 0.01 0.00 0.00 0.00 0.00 51.96 54.36 1beg s ALA 38 Cb 0.39 -1.20 0.37 0.00 0.00 0.00 0.00 23.12 22.68 1beg s ALA 38 CO -0.04 -0.33 1.58 0.36 0.00 0.00 0.00 175.76 177.33 1beg n LYS 39 N 3.88 3.31 -3.64 0.00 -0.00 -1.26 -4.78 118.16 115.67 1beg n LYS 39 Ca -0.19 -4.12 -0.05 0.00 -0.00 0.00 0.00 58.31 53.95 1beg n LYS 39 Cb 0.57 -2.28 -0.07 0.00 -0.00 0.00 0.00 35.03 33.25 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 -3.85 -2.09 0.53 0.58 0.00 -1.26 -4.91 121.76 110.76 1beg s ALA 40 Ca 0.49 2.29 -0.20 0.00 0.00 0.00 0.00 51.96 54.54 1beg s ALA 40 Cb 0.39 -1.57 -0.06 0.00 0.00 0.00 0.00 23.12 21.87 1beg s ALA 40 CO -0.28 -0.36 1.12 -0.51 0.00 0.00 0.00 175.76 175.73 1beg s LEU 41 N 1.41 3.78 0.57 0.00 1.43 -1.26 -5.02 118.68 119.60 1beg s LEU 41 Ca -0.09 2.16 -0.18 0.00 -1.03 0.00 0.00 54.13 54.99 1beg s LEU 41 Cb -0.04 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.58 1beg s LEU 41 CO -0.16 -1.15 1.11 -2.16 0.23 0.00 0.00 176.35 174.22 1beg s PRO 42 N -3.23 3.24 0.80 1.29 0.04 -1.26 -5.04 135.00 130.84 1beg s PRO 42 Ca 0.71 1.51 -0.12 0.00 0.04 0.00 0.00 61.00 63.14 1beg s PRO 42 Cb -0.24 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.38 1beg s PRO 42 CO 0.27 -0.92 1.14 0.95 0.04 0.00 0.00 177.00 178.48 1beg s THR 43 N -1.98 2.67 0.38 1.26 -4.23 -1.26 -4.71 115.64 107.77 1beg s THR 43 Ca 0.70 0.25 0.17 0.00 -1.18 0.00 0.00 61.69 61.64 1beg s THR 43 Cb -0.22 -2.60 0.38 0.00 1.34 0.00 0.00 72.50 71.39 1beg s THR 43 CO 0.31 -0.25 1.73 0.00 -0.54 0.00 0.00 174.62 175.86 1beg h THR 44 N -1.05 0.44 -0.07 3.99 1.03 -1.99 0.90 112.91 116.17 1beg h THR 44 Ca -0.45 -0.13 -0.00 0.00 -0.01 0.00 0.00 66.41 65.82 1beg h THR 44 Cb 1.26 0.02 -0.00 0.00 -1.07 0.00 0.00 68.15 68.36 1beg h THR 44 CO 0.48 0.07 0.03 0.00 -0.01 0.00 0.00 175.52 176.09 1beg h ALA 45 N 1.68 0.09 -0.98 0.00 0.00 -2.00 -1.87 119.26 116.17 1beg h ALA 45 Ca 0.66 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.52 1beg h ALA 45 Cb 1.61 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 1beg h ALA 45 CO -0.40 -0.36 0.65 1.96 0.00 0.00 0.00 179.25 181.10 1beg h GLN 46 N -0.01 1.28 -0.16 0.00 1.08 -1.21 -2.19 115.11 113.90 1beg h GLN 46 Ca 0.02 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1beg h GLN 46 Cb 0.11 -0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 27.24 1beg h GLN 46 CO -0.00 0.85 0.10 1.88 -0.95 0.00 0.00 178.83 180.70 1beg h TYR 47 N 1.32 0.19 0.61 2.96 0.05 -0.88 -0.69 116.97 120.52 1beg h TYR 47 Ca 0.36 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 59.13 1beg h TYR 47 Cb -0.14 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.52 1beg h TYR 47 CO -0.00 0.12 -0.50 -0.22 -1.05 0.00 0.00 178.16 176.51 1beg h LYS 48 N 0.21 -1.03 -0.73 4.88 3.64 -0.91 -0.86 116.57 121.76 1beg h LYS 48 Ca 0.06 0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.64 1beg h LYS 48 Cb -0.02 0.24 -0.09 0.00 -0.41 0.00 0.00 32.23 31.95 1beg h LYS 48 CO -0.02 -0.69 0.28 -0.07 -2.27 0.00 0.00 179.45 176.69 1beg h LEU 49 N -1.07 0.26 -0.81 5.20 -0.00 -1.32 -1.83 115.31 115.74 1beg h LEU 49 Ca -0.08 0.11 -0.04 0.00 -0.00 0.00 0.00 57.88 57.87 1beg h LEU 49 Cb 0.90 0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 41.61 1beg h LEU 49 CO -0.00 0.11 0.34 0.24 -0.00 0.00 0.00 178.44 179.13 1beg h MET 50 N 0.43 1.20 -0.09 1.13 2.86 -0.81 -2.91 114.93 116.74 1beg h MET 50 Ca 0.40 -0.21 0.03 0.00 -2.06 0.00 0.00 59.70 57.86 1beg h MET 50 Cb 0.59 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1beg h MET 50 CO -0.39 0.95 0.09 0.00 1.06 0.00 0.00 176.91 178.62 1beg n ALA 52 N -2.38 2.62 0.05 0.00 0.00 -1.11 -4.86 120.51 114.82 1beg n ALA 52 Ca -0.01 -3.64 0.01 0.00 0.00 0.00 0.00 53.44 49.80 1beg n ALA 52 Cb 0.19 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 18.76 1beg n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1beg n SER 53 N 0.15 1.25 0.00 0.00 2.88 -1.14 -4.97 113.62 111.78 1beg n SER 53 Ca 0.25 -1.18 0.00 0.00 -1.33 0.00 0.00 58.87 56.61 1beg n SER 53 Cb 0.62 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1beg n SER 53 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1beg n THR 54 N 0.02 0.00 0.08 2.46 -1.04 -1.26 -4.25 114.28 110.29 1beg n THR 54 Ca 0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.90 1beg n THR 54 Cb 0.07 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.52 1beg n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1beg h ALA 55 N -0.11 -0.20 -0.37 2.41 0.00 -1.91 -2.26 119.26 116.81 1beg h ALA 55 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1beg h ALA 55 Cb 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1beg h ALA 55 CO 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 179.25 178.55 1beg h ASN 57 N 0.04 0.58 -0.65 0.00 2.35 -1.69 -2.47 115.58 113.74 1beg h ASN 57 Ca 0.18 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 56.01 1beg h ASN 57 Cb 0.27 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.45 1beg h ASN 57 CO -0.35 0.41 0.32 0.74 -1.65 0.00 0.00 177.43 176.90 1beg h THR 58 N 0.71 0.88 0.47 2.81 2.02 -0.74 -0.20 112.91 118.86 1beg h THR 58 Ca 0.24 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1beg h THR 58 Cb 0.03 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1beg h THR 58 CO -0.10 0.10 -0.22 0.24 0.37 0.00 0.00 175.52 175.91 1beg h MET 59 N 0.57 -0.61 0.49 6.66 2.86 -0.98 -2.48 114.93 121.45 1beg h MET 59 Ca 0.31 0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.97 1beg h MET 59 Cb 0.29 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1beg h MET 59 CO -0.24 -0.31 -0.24 0.82 1.06 0.00 0.00 176.91 178.01 1beg h ILE 60 N -0.88 0.42 -0.80 -1.22 1.08 -1.41 -2.64 117.51 112.06 1beg h ILE 60 Ca -0.06 -0.38 0.14 0.00 -0.39 0.00 0.00 64.86 64.17 1beg h ILE 60 Cb 0.58 0.57 -0.09 0.00 -3.07 0.00 0.00 36.82 34.80 1beg h ILE 60 CO 0.11 0.05 0.37 0.11 -0.69 0.00 0.00 178.15 178.10 1beg h LYS 61 N -0.92 0.52 -0.36 2.37 1.79 -1.17 -0.40 116.57 118.39 1beg h LYS 61 Ca -0.07 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1beg h LYS 61 Cb 0.60 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.11 1beg h LYS 61 CO 0.11 0.34 0.16 -0.22 -1.08 0.00 0.00 179.45 178.77 1beg h LYS 62 N 0.53 0.53 -0.60 3.15 3.64 -1.45 -0.65 116.57 121.72 1beg h LYS 62 Ca 0.44 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.66 1beg h LYS 62 Cb 0.64 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1beg h LYS 62 CO -0.38 0.49 0.10 0.82 -2.27 0.00 0.00 179.45 178.20 1beg h ILE 63 N 0.45 1.26 -0.00 2.00 1.08 -0.93 -2.22 117.51 119.15 1beg h ILE 63 Ca 0.12 -0.99 -0.00 0.00 -0.39 0.00 0.00 64.86 63.60 1beg h ILE 63 Cb 0.14 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 34.64 1beg h ILE 63 CO -0.01 0.37 -0.00 0.58 -0.69 0.00 0.00 178.15 178.39 1beg h VAL 64 N 0.89 1.33 -0.84 1.67 2.07 -0.99 -2.56 116.25 117.81 1beg h VAL 64 Ca 0.18 -0.96 0.08 0.00 0.82 0.00 0.00 66.70 66.83 1beg h VAL 64 Cb 0.42 1.97 -0.07 0.00 -1.52 0.00 0.00 31.29 32.10 1beg h VAL 64 CO 0.01 0.25 0.50 0.71 0.02 0.00 0.00 177.57 179.06 1beg h THR 65 N -0.40 0.96 -0.07 2.57 1.35 -1.11 -2.71 112.91 113.50 1beg h THR 65 Ca 0.00 -0.30 -0.18 0.00 -0.55 0.00 0.00 66.41 65.38 1beg h THR 65 Cb 0.41 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.84 1beg h THR 65 CO 0.00 0.16 -0.71 0.17 -0.25 0.00 0.00 175.52 174.89 1beg h LEU 66 N 0.87 0.43 -2.32 3.87 8.10 -1.41 -3.50 115.31 121.35 1beg h LEU 66 Ca 0.39 -0.28 0.00 0.00 0.11 0.00 0.00 57.88 58.11 1beg h LEU 66 Cb 0.29 -0.13 -0.05 0.00 -0.44 0.00 0.00 40.66 40.33 1beg h LEU 66 CO -0.22 1.00 -0.96 0.59 -4.11 0.00 0.00 178.44 174.74 1beg n ASN 67 N -3.83 -3.67 -4.63 0.17 4.13 -0.97 -5.08 115.26 101.38 1beg n ASN 67 Ca -0.04 1.03 -0.26 0.00 1.68 0.00 0.00 54.58 57.00 1beg n ASN 67 Cb 0.69 -4.19 0.11 0.00 -1.54 0.00 0.00 39.78 34.85 1beg n ASN 67 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1beg s PRO 68 N -0.99 1.63 0.55 3.52 0.04 -1.26 -5.10 135.00 133.39 1beg s PRO 68 Ca -0.11 -0.65 -0.09 0.00 0.04 0.00 0.00 61.00 60.19 1beg s PRO 68 Cb 0.01 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1beg s PRO 68 CO 0.59 -1.58 0.93 -1.25 0.04 0.00 0.00 177.00 175.72 1beg s PRO 69 N -5.34 3.62 -0.88 0.56 0.04 -1.26 -4.91 135.00 126.82 1beg s PRO 69 Ca 0.66 0.55 -0.25 0.00 0.04 0.00 0.00 61.00 62.01 1beg s PRO 69 Cb -0.07 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 1beg s PRO 69 CO 0.46 -0.39 1.79 1.21 0.04 0.00 0.00 177.00 180.11 1beg s ASN 70 N -4.01 5.51 0.33 6.66 2.47 -1.26 -4.49 114.94 120.15 1beg s ASN 70 Ca 0.52 -0.68 -0.00 0.00 0.42 0.00 0.00 52.86 53.12 1beg s ASN 70 Cb -0.11 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.14 1beg s ASN 70 CO 0.48 -2.37 0.43 0.00 -3.72 0.00 0.00 177.10 171.91 1beg s ASP 72 N -3.06 1.42 -0.25 0.00 1.01 -1.26 -4.46 116.67 110.08 1beg s ASP 72 Ca 0.29 -0.13 -0.02 0.00 0.71 0.00 0.00 52.55 53.40 1beg s ASP 72 Cb -0.00 -0.49 0.02 0.00 1.01 0.00 0.00 42.92 43.45 1beg s ASP 72 CO 0.21 -0.13 -0.06 -0.22 0.21 0.00 0.00 175.17 175.18 1beg s LEU 73 N 1.54 3.15 -0.06 1.23 0.20 -0.30 -2.48 118.68 121.96 1beg s LEU 73 Ca -0.01 -0.82 -0.28 0.00 0.69 0.00 0.00 54.13 53.72 1beg s LEU 73 Cb -0.13 -1.67 -0.03 0.00 -0.43 0.00 0.00 46.19 43.93 1beg s LEU 73 CO -0.04 -0.12 0.89 0.42 -0.29 0.00 0.00 176.35 177.22 1beg s THR 74 N 1.34 4.90 -0.30 3.68 -4.23 -1.26 -1.13 115.64 118.64 1beg s THR 74 Ca 0.01 1.84 -0.29 0.00 -1.18 0.00 0.00 61.69 62.07 1beg s THR 74 Cb -0.16 -4.22 0.01 0.00 1.34 0.00 0.00 72.50 69.47 1beg s THR 74 CO -0.04 0.13 1.07 -0.69 -0.54 0.00 0.00 174.62 174.55 1beg s VAL 75 N 1.33 4.54 0.00 2.29 1.01 -1.01 -4.94 120.40 123.63 1beg s VAL 75 Ca 0.46 1.80 -0.00 0.00 0.00 0.00 0.00 61.98 64.23 1beg s VAL 75 Cb -0.19 -4.38 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 1beg s VAL 75 CO 0.21 -0.41 1.91 -0.81 0.00 0.00 0.00 175.10 176.01 1beg n PRO 76 N 6.75 0.97 0.00 2.72 -0.04 -1.26 -3.68 135.00 140.45 1beg n PRO 76 Ca 0.12 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1beg n PRO 76 Cb 0.47 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 1beg n PRO 76 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1beg n THR 77 N 1.59 0.00 -0.03 0.52 5.66 -1.26 -4.99 114.28 115.77 1beg n THR 77 Ca 0.02 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.88 1beg n THR 77 Cb 0.48 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 1beg n THR 77 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1beg h SER 78 N 0.00 0.25 0.00 1.09 4.64 -1.71 -3.46 113.55 114.37 1beg h SER 78 Ca 0.00 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 1beg h SER 78 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1beg h SER 78 CO 0.00 0.83 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 1beg n GLY 79 N 0.60 1.26 3.28 -0.77 0.00 -1.24 -4.04 105.19 104.27 1beg n GLY 79 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 2.41 -0.13 0.99 1.98 -1.26 -4.97 118.68 117.70 1beg s LEU 80 Ca 0.00 -0.83 -0.15 0.00 -2.89 0.00 0.00 54.13 50.26 1beg s LEU 80 Cb 0.00 -0.68 -0.05 0.00 0.66 0.00 0.00 46.19 46.12 1beg s LEU 80 CO 0.00 -0.09 0.37 -0.69 -1.89 0.00 0.00 176.35 174.05 1beg s VAL 81 N -2.07 5.25 -0.24 1.68 1.01 -1.26 -2.39 120.40 122.37 1beg s VAL 81 Ca 0.12 0.72 0.03 0.00 0.00 0.00 0.00 61.98 62.84 1beg s VAL 81 Cb -0.05 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.67 1beg s VAL 81 CO 0.05 0.38 -0.12 -0.22 0.00 0.00 0.00 175.10 175.18 1beg s LEU 82 N 0.40 3.16 0.21 3.92 2.96 -0.29 -4.98 118.68 124.06 1beg s LEU 82 Ca 0.21 -1.25 -0.10 0.00 -0.22 0.00 0.00 54.13 52.77 1beg s LEU 82 Cb -0.14 -1.52 0.26 0.00 0.50 0.00 0.00 46.19 45.29 1beg s LEU 82 CO 0.07 -0.16 1.75 -1.13 -1.32 0.00 0.00 176.35 175.56 1beg h ASN 83 N 7.81 0.25 0.00 3.68 -0.73 -1.82 -0.78 115.58 123.99 1beg h ASN 83 Ca -0.24 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.00 1beg h ASN 83 Cb 1.06 0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.69 1beg h ASN 83 CO 0.49 0.15 0.00 0.52 -0.37 0.00 0.00 177.43 178.22 1beg n VAL 84 N -4.98 0.00 0.40 2.57 0.31 -1.26 -4.08 118.33 111.28 1beg n VAL 84 Ca 0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.25 1beg n VAL 84 Cb 0.26 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.11 1beg n VAL 84 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1beg h TYR 85 N 0.00 -0.95 -0.48 3.52 5.03 -1.79 -3.12 116.97 119.18 1beg h TYR 85 Ca 0.00 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 1beg h TYR 85 Cb 0.00 0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.57 1beg h TYR 85 CO 0.00 -0.59 0.29 1.03 -1.32 0.00 0.00 178.16 177.57 1beg h SER 86 N -1.21 0.57 0.05 -2.11 0.87 -1.91 -3.21 113.55 106.60 1beg h SER 86 Ca -0.10 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.44 1beg h SER 86 Cb 0.79 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.56 1beg h SER 86 CO 0.17 0.44 -0.49 0.22 -0.53 0.00 0.00 176.83 176.64 1beg h TYR 87 N 0.66 -1.44 0.00 2.24 3.20 -1.89 -1.33 116.97 118.41 1beg h TYR 87 Ca 0.17 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1beg h TYR 87 Cb -0.02 0.62 0.00 0.00 1.54 0.00 0.00 36.73 38.87 1beg h TYR 87 CO 0.00 -0.54 0.00 0.00 -1.64 0.00 0.00 178.16 175.98 1beg n ALA 88 N -2.91 -0.01 -0.14 1.82 0.00 -1.19 -1.66 120.51 116.42 1beg n ALA 88 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.33 1beg n ALA 88 Cb 0.37 0.45 0.17 0.00 0.00 0.00 0.00 19.45 20.45 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 0.80 -0.59 0.00 7.08 -1.71 -3.19 115.58 117.97 1beg h ASN 89 Ca 0.00 -0.15 0.09 0.00 -3.08 0.00 0.00 56.30 53.15 1beg h ASN 89 Cb 0.00 -0.21 -0.07 0.00 -2.08 0.00 0.00 38.32 35.96 1beg h ASN 89 CO 0.00 0.80 0.23 1.23 -2.08 0.00 0.00 177.43 177.61 1beg h GLY 90 N 0.98 0.83 0.17 9.14 0.00 -0.77 -2.79 103.07 110.63 1beg h GLY 90 Ca 0.18 -0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.46 1beg h GLY 90 CO 0.00 0.00 -0.12 -2.75 0.00 0.00 0.00 176.54 173.68 1beg h PHE 91 N 0.42 -0.26 -0.39 5.60 3.04 -1.29 -0.74 116.94 123.32 1beg h PHE 91 Ca 0.30 0.04 0.03 0.00 3.98 0.00 0.00 57.97 62.32 1beg h PHE 91 Cb 0.34 0.18 -0.04 0.00 2.56 0.00 0.00 35.95 38.99 1beg h PHE 91 CO -0.16 -0.19 0.18 0.77 -2.02 0.00 0.00 178.31 176.89 1beg h SER 92 N -0.02 0.25 -0.09 0.41 0.02 -1.65 -0.43 113.55 112.04 1beg h SER 92 Ca 0.19 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 1beg h SER 92 Cb 0.32 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1beg h SER 92 CO -0.42 0.19 -0.08 -1.13 -1.14 0.00 0.00 176.83 174.25 1beg h ASN 93 N 0.37 -0.24 -0.54 3.07 -0.73 -1.17 -0.43 115.58 115.90 1beg h ASN 93 Ca 0.17 0.05 -0.07 0.00 1.87 0.00 0.00 56.30 58.32 1beg h ASN 93 Cb 0.10 0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.78 1beg h ASN 93 CO -0.13 -0.11 0.09 0.50 -0.37 0.00 0.00 177.43 177.41 1beg h LYS 94 N -0.09 0.94 -0.17 6.67 1.63 -0.92 -2.12 116.57 122.51 1beg h LYS 94 Ca 0.06 -0.23 -0.10 0.00 -0.85 0.00 0.00 60.65 59.53 1beg h LYS 94 Cb 0.18 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 1beg h LYS 94 CO -0.14 0.88 -0.32 0.00 -3.45 0.00 0.00 179.45 176.41 1beg h SER 96 N 0.30 0.08 -0.04 0.00 0.02 -0.66 -3.18 113.55 110.07 1beg h SER 96 Ca 0.04 -0.45 -0.05 0.00 -0.84 0.00 0.00 61.79 60.49 1beg h SER 96 Cb 0.72 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1beg h SER 96 CO 0.05 0.51 -0.11 0.77 -1.14 0.00 0.00 176.83 176.92 1beg h SER 97 N -0.35 0.30 -0.00 3.07 4.64 -1.31 -3.51 113.55 116.38 1beg h SER 97 Ca 0.01 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1beg h SER 97 Cb 0.48 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1beg h SER 97 CO 0.01 0.45 0.00 -0.11 -0.87 0.00 0.00 176.83 176.30