#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 -0.61 0.17 6.98 0.00 -1.26 -4.49 121.76 122.55 1beg s ALA 2 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1beg s ALA 2 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1beg s ALA 2 CO 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 175.76 173.63 1beg n THR 4 N -2.93 0.00 0.00 0.00 -1.04 -1.26 -4.88 114.28 104.17 1beg n THR 4 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1beg n THR 4 Cb 0.33 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.84 1beg n THR 4 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1beg n ALA 5 N -3.00 2.17 -0.20 2.41 0.00 -1.26 -4.43 120.51 116.20 1beg n ALA 5 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 1beg n ALA 5 Cb 0.00 0.08 0.02 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.13 1.24 -0.00 0.00 1.35 -1.99 -2.24 112.91 111.14 1beg h THR 6 Ca 0.00 -0.82 0.02 0.00 -0.55 0.00 0.00 66.41 65.06 1beg h THR 6 Cb 0.13 0.71 -0.03 0.00 -1.73 0.00 0.00 68.15 67.23 1beg h THR 6 CO 0.00 0.31 -0.12 1.56 -0.25 0.00 0.00 175.52 177.02 1beg h GLN 7 N 0.79 -0.20 0.18 4.72 7.50 -1.96 -0.36 115.11 125.78 1beg h GLN 7 Ca 0.18 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.34 1beg h GLN 7 Cb 0.30 0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.87 1beg h GLN 7 CO -0.00 -0.13 -0.08 0.37 -1.50 0.00 0.00 178.83 177.48 1beg h GLN 8 N -0.20 -0.23 0.00 1.46 4.15 -1.75 -2.44 115.11 116.10 1beg h GLN 8 Ca 0.04 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 1beg h GLN 8 Cb 0.26 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 1beg h GLN 8 CO -0.12 -0.05 -0.12 0.00 -1.93 0.00 0.00 178.83 176.61 1beg h THR 9 N -0.37 0.47 -0.08 2.39 1.03 -1.36 -0.70 112.91 114.29 1beg h THR 9 Ca -0.02 -0.61 -0.02 0.00 -0.01 0.00 0.00 66.41 65.74 1beg h THR 9 Cb 0.29 1.42 -0.00 0.00 -1.07 0.00 0.00 68.15 68.79 1beg h THR 9 CO 0.04 0.12 -0.04 0.00 -0.01 0.00 0.00 175.52 175.63 1beg h ALA 10 N 1.88 0.11 -0.66 0.00 0.00 -0.84 -0.33 119.26 119.42 1beg h ALA 10 Ca -0.00 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1beg h ALA 10 Cb 0.41 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1beg h ALA 10 CO 0.02 -0.12 0.41 0.00 0.00 0.00 0.00 179.25 179.55 1beg h ALA 11 N 0.62 0.86 0.05 0.00 0.00 -0.98 -2.80 119.26 117.01 1beg h ALA 11 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1beg h ALA 11 Cb 0.50 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1beg h ALA 11 CO 0.01 0.17 -0.06 1.88 0.00 0.00 0.00 179.25 181.26 1beg h TYR 12 N 0.81 -0.16 -0.83 0.00 -1.99 -0.84 -1.51 116.97 112.45 1beg h TYR 12 Ca 0.27 0.00 0.17 0.00 2.00 0.00 0.00 58.73 61.17 1beg h TYR 12 Cb 0.02 0.06 -0.16 0.00 2.00 0.00 0.00 36.73 38.66 1beg h TYR 12 CO -0.05 -0.07 -0.19 1.17 -0.00 0.00 0.00 178.16 179.01 1beg n LYS 13 N -2.63 -0.07 0.24 4.88 0.00 -0.16 -0.73 118.16 119.69 1beg n LYS 13 Ca -0.01 1.29 -0.14 0.00 0.00 0.00 0.00 58.31 59.44 1beg n LYS 13 Cb 0.05 -1.93 -0.08 0.00 0.00 0.00 0.00 35.03 33.08 1beg n LYS 13 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1beg h THR 14 N 0.00 0.44 0.18 3.15 2.02 -1.38 -2.01 112.91 115.30 1beg h THR 14 Ca 0.40 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 67.17 1beg h THR 14 Cb 0.63 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1beg h THR 14 CO -0.85 0.06 -0.53 0.25 0.37 0.00 0.00 175.52 174.83 1beg h LEU 15 N -0.92 -1.58 -0.80 2.58 5.85 -0.03 -2.51 115.31 117.90 1beg h LEU 15 Ca -0.06 0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1beg h LEU 15 Cb 0.59 0.57 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 1beg h LEU 15 CO 0.11 -0.58 0.49 -0.37 -0.34 0.00 0.00 178.44 177.75 1beg h VAL 16 N -0.80 1.03 -0.88 1.05 -1.51 -1.04 -0.41 116.25 113.70 1beg h VAL 16 Ca -0.01 -0.31 0.17 0.00 -1.23 0.00 0.00 66.70 65.31 1beg h VAL 16 Cb 0.78 0.05 -0.07 0.00 -2.13 0.00 0.00 31.29 29.93 1beg h VAL 16 CO -0.26 0.16 0.57 0.28 -1.23 0.00 0.00 177.57 177.10 1beg h SER 17 N 0.90 0.54 -4.80 4.19 0.02 -1.07 -3.42 113.55 109.92 1beg h SER 17 Ca 0.35 0.04 -0.29 0.00 -0.84 0.00 0.00 61.79 61.05 1beg h SER 17 Cb 0.16 -0.06 0.05 0.00 0.14 0.00 0.00 62.40 62.69 1beg h SER 17 CO -0.17 0.25 0.06 -0.38 -1.14 0.00 0.00 176.83 175.45 1beg n ILE 18 N -4.54 0.00 0.00 3.27 2.08 -0.16 -4.64 119.36 115.37 1beg n ILE 18 Ca 0.18 -1.01 0.00 0.00 0.56 0.00 0.00 62.75 62.48 1beg n ILE 18 Cb 0.56 -1.03 0.00 0.00 -0.75 0.00 0.00 39.64 38.42 1beg n ILE 18 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1beg n LEU 19 N 0.00 0.00 -0.77 1.39 4.77 -1.26 -4.58 117.00 116.55 1beg n LEU 19 Ca 0.10 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.12 1beg n LEU 19 Cb 0.37 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.61 1beg n LEU 19 CO 0.25 0.00 0.57 -0.24 -1.33 0.00 0.00 177.39 176.64 1beg n SER 20 N 3.23 2.18 -4.81 -1.43 2.88 -1.26 -4.76 113.62 109.66 1beg n SER 20 Ca 0.00 -2.16 -0.30 0.00 -1.33 0.00 0.00 58.87 55.08 1beg n SER 20 Cb 0.00 -0.36 -0.06 0.00 -0.75 0.00 0.00 64.21 63.05 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 -0.73 5.71 0.35 -3.46 -1.08 -1.26 -5.04 116.67 111.17 1beg s ASP 21 Ca 0.21 0.05 0.05 0.00 -0.52 0.00 0.00 52.55 52.35 1beg s ASP 21 Cb 0.13 -1.59 0.71 0.00 -1.46 0.00 0.00 42.92 40.72 1beg s ASP 21 CO 0.11 0.17 1.93 0.00 0.52 0.00 0.00 175.17 177.90 1beg h ALA 22 N 3.20 1.69 0.12 3.66 0.00 -1.99 -3.08 119.26 122.87 1beg h ALA 22 Ca -0.46 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1beg h ALA 22 Cb 1.16 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1beg h ALA 22 CO 0.68 0.16 -0.33 1.03 0.00 0.00 0.00 179.25 180.79 1beg h SER 23 N 0.80 -0.95 -0.93 0.00 0.87 -1.96 -2.57 113.55 108.81 1beg h SER 23 Ca 0.36 0.11 0.10 0.00 -1.23 0.00 0.00 61.79 61.13 1beg h SER 23 Cb 0.34 0.36 -0.07 0.00 -0.44 0.00 0.00 62.40 62.59 1beg h SER 23 CO -0.13 -0.42 0.59 0.15 -0.53 0.00 0.00 176.83 176.49 1beg h PHE 24 N -0.56 1.01 -0.53 2.24 3.57 -1.85 -2.28 116.94 118.54 1beg h PHE 24 Ca 0.03 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 1beg h PHE 24 Cb 0.59 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1beg h PHE 24 CO -0.29 0.45 0.05 -0.91 -2.23 0.00 0.00 178.31 175.38 1beg h ASN 25 N 0.92 0.87 -0.51 0.41 4.21 -1.54 -1.15 115.58 118.79 1beg h ASN 25 Ca 0.44 -0.28 -0.07 0.00 1.21 0.00 0.00 56.30 57.59 1beg h ASN 25 Cb 0.43 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.37 1beg h ASN 25 CO -0.20 0.93 0.03 1.56 -1.29 0.00 0.00 177.43 178.47 1beg h GLN 26 N 0.78 0.88 0.07 0.81 1.08 -1.05 -2.68 115.11 115.00 1beg h GLN 26 Ca 0.16 -0.26 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1beg h GLN 26 Cb 0.45 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1beg h GLN 26 CO 0.02 0.89 -0.04 0.00 -0.95 0.00 0.00 178.83 178.76 1beg h SER 28 N -0.67 0.27 -0.57 0.00 4.64 -1.25 -1.41 113.55 114.56 1beg h SER 28 Ca -0.01 0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 1beg h SER 28 Cb 0.55 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 1beg h SER 28 CO 0.02 0.10 0.10 0.74 -0.87 0.00 0.00 176.83 176.92 1beg h THR 29 N 0.44 1.25 0.50 2.95 2.02 -1.56 -2.13 112.91 116.39 1beg h THR 29 Ca 0.41 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 1beg h THR 29 Cb 0.62 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1beg h THR 29 CO -0.40 0.35 -0.24 0.44 0.37 0.00 0.00 175.52 176.04 1beg h ASP 30 N 0.84 -0.57 0.00 4.18 5.19 -1.12 -3.42 116.42 121.51 1beg h ASP 30 Ca 0.17 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1beg h ASP 30 Cb 0.40 0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1beg h ASP 30 CO 0.01 -0.23 -0.22 -1.28 -3.12 0.00 0.00 179.24 174.40 1beg h SER 31 N -1.04 0.00 0.00 6.45 0.87 -1.46 -3.51 113.55 114.87 1beg h SER 31 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1beg h SER 31 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1beg h SER 31 CO 0.11 0.35 0.00 0.61 -0.53 0.00 0.00 176.83 177.37 1beg n GLY 32 N 1.71 1.92 3.68 5.77 0.00 -0.80 -5.05 105.19 112.41 1beg n GLY 32 Ca -0.03 -0.35 -0.47 0.00 0.00 0.00 0.00 46.02 45.17 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 2.37 -3.91 1.61 9.36 -1.26 -4.92 117.16 120.41 1beg n TYR 33 Ca 0.00 -0.07 -0.34 0.00 3.32 0.00 0.00 57.90 60.81 1beg n TYR 33 Cb 0.00 -2.69 -0.13 0.00 -0.63 0.00 0.00 39.34 35.89 1beg n TYR 33 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1beg s SER 34 N 4.07 4.97 0.37 2.98 0.15 -1.26 -4.72 113.70 120.26 1beg s SER 34 Ca 0.92 -1.93 0.13 0.00 0.70 0.00 0.00 55.95 55.76 1beg s SER 34 Cb -0.64 -1.72 0.93 0.00 -1.71 0.00 0.00 66.02 62.88 1beg s SER 34 CO 0.49 -0.42 1.84 0.00 1.20 0.00 0.00 173.24 176.35 1beg h MET 35 N 7.86 0.55 -0.63 5.44 -0.00 -1.93 -2.29 114.93 123.94 1beg h MET 35 Ca -0.11 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 59.54 1beg h MET 35 Cb 1.04 -0.12 -0.03 0.00 -0.00 0.00 0.00 31.60 32.48 1beg h MET 35 CO 0.59 0.36 0.34 1.37 -0.00 0.00 0.00 176.91 179.58 1beg h LEU 36 N 0.57 0.77 -5.06 -0.10 8.10 -2.02 -3.33 115.31 114.24 1beg h LEU 36 Ca 0.50 -0.06 -0.40 0.00 0.11 0.00 0.00 57.88 58.03 1beg h LEU 36 Cb 1.01 -0.19 -0.40 0.00 -0.44 0.00 0.00 40.66 40.63 1beg h LEU 36 CO -0.24 0.62 -1.13 1.07 -4.11 0.00 0.00 178.44 174.65 1beg n THR 37 N -4.38 1.06 -4.10 0.15 5.66 -0.91 -4.75 114.28 107.02 1beg n THR 37 Ca 0.06 -3.48 -0.10 0.00 -3.05 0.00 0.00 64.05 57.48 1beg n THR 37 Cb 0.10 0.30 -0.10 0.00 -1.55 0.00 0.00 70.33 69.08 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 -3.10 0.65 0.00 1.79 0.00 -0.93 -4.81 121.76 115.36 1beg s ALA 38 Ca 0.31 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1beg s ALA 38 Cb 0.44 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.72 1beg s ALA 38 CO -0.00 -0.21 0.64 1.63 0.00 0.00 0.00 175.76 177.81 1beg n LYS 39 N 0.55 0.00 -2.67 0.00 4.01 -1.26 -4.77 118.16 114.01 1beg n LYS 39 Ca -0.17 0.33 -0.05 0.00 -0.51 0.00 0.00 58.31 57.91 1beg n LYS 39 Cb 0.59 -1.21 0.02 0.00 -0.51 0.00 0.00 35.03 33.91 1beg n LYS 39 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1beg n ALA 40 N -1.48 -1.12 -1.06 7.82 0.00 -1.26 -4.54 120.51 118.87 1beg n ALA 40 Ca 0.00 -0.74 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 1beg n ALA 40 Cb 0.00 0.57 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 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 0.27 -4.50 0.00 4.77 -1.26 -4.95 117.00 111.33 1beg n LEU 41 Ca -0.05 0.78 -0.30 0.00 -0.03 0.00 0.00 56.01 56.41 1beg n LEU 41 Cb 0.35 -0.61 0.26 0.00 -2.33 0.00 0.00 43.42 41.09 1beg n LEU 41 CO 0.16 -1.04 0.55 -2.16 -1.33 0.00 0.00 177.39 173.57 1beg s PRO 42 N 0.67 -1.76 1.04 3.23 0.04 -1.26 -5.06 135.00 131.90 1beg s PRO 42 Ca 0.64 0.04 -0.15 0.00 0.04 0.00 0.00 61.00 61.56 1beg s PRO 42 Cb -0.90 -1.52 0.21 0.00 0.04 0.00 0.00 34.50 32.33 1beg s PRO 42 CO 0.44 -4.09 1.15 0.95 0.04 0.00 0.00 177.00 175.49 1beg s THR 43 N -2.75 1.86 0.30 1.26 -4.23 -1.26 -4.80 115.64 106.01 1beg s THR 43 Ca 0.70 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 61.20 1beg s THR 43 Cb -0.11 -2.64 0.27 0.00 1.34 0.00 0.00 72.50 71.36 1beg s THR 43 CO 0.57 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.60 1beg h THR 44 N -2.00 1.16 0.83 3.99 1.03 -1.98 -1.94 112.91 114.00 1beg h THR 44 Ca -0.49 -0.37 -0.04 0.00 -0.01 0.00 0.00 66.41 65.50 1beg h THR 44 Cb 1.30 -0.01 0.01 0.00 -1.07 0.00 0.00 68.15 68.38 1beg h THR 44 CO 0.48 0.20 -0.40 0.00 -0.01 0.00 0.00 175.52 175.78 1beg h ALA 45 N 1.50 -1.16 -0.70 0.00 0.00 -2.00 -0.97 119.26 115.92 1beg h ALA 45 Ca 0.33 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1beg h ALA 45 Cb -0.01 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1beg h ALA 45 CO -0.09 -1.08 0.46 1.96 0.00 0.00 0.00 179.25 180.50 1beg h GLN 46 N -1.25 0.73 -0.10 0.00 1.08 -1.94 -1.93 115.11 111.70 1beg h GLN 46 Ca -0.11 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.07 1beg h GLN 46 Cb 0.85 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 1beg h GLN 46 CO 0.19 0.48 -0.04 1.88 -0.95 0.00 0.00 178.83 180.38 1beg h TYR 47 N 0.75 -0.10 -0.23 2.96 -1.99 -1.20 -0.11 116.97 117.05 1beg h TYR 47 Ca 0.30 0.01 0.05 0.00 2.00 0.00 0.00 58.73 61.09 1beg h TYR 47 Cb 0.22 0.06 -0.05 0.00 2.00 0.00 0.00 36.73 38.96 1beg h TYR 47 CO -0.00 -0.07 -0.11 0.87 -0.00 0.00 0.00 178.16 178.85 1beg h LYS 48 N -0.04 -0.07 -0.74 4.88 1.79 -0.38 0.42 116.57 122.44 1beg h LYS 48 Ca 0.05 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1beg h LYS 48 Cb 0.12 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 1beg h LYS 48 CO -0.12 -0.05 0.42 -0.07 -1.08 0.00 0.00 179.45 178.55 1beg h LEU 49 N -0.07 0.89 -0.49 2.94 3.38 -1.22 -3.03 115.31 117.70 1beg h LEU 49 Ca 0.12 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 1beg h LEU 49 Cb 0.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1beg h LEU 49 CO -0.28 0.71 -0.67 0.24 0.09 0.00 0.00 178.44 178.53 1beg h MET 50 N 1.02 0.37 -0.93 1.13 2.86 0.13 -2.95 114.93 116.57 1beg h MET 50 Ca 0.26 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1beg h MET 50 Cb -0.01 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 1beg h MET 50 CO -0.05 0.91 0.60 0.00 1.06 0.00 0.00 176.91 179.43 1beg h ALA 52 N 1.38 0.08 -0.04 0.00 0.00 -1.65 -3.47 119.26 115.56 1beg h ALA 52 Ca 0.34 -0.72 -0.46 0.00 0.00 0.00 0.00 54.91 54.06 1beg h ALA 52 Cb -0.11 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1beg h ALA 52 CO -0.07 0.23 0.76 -1.13 0.00 0.00 0.00 179.25 179.04 1beg n SER 53 N -4.54 0.47 -0.34 0.00 3.41 -1.11 -4.86 113.62 106.65 1beg n SER 53 Ca -0.17 0.43 0.06 0.00 -0.26 0.00 0.00 58.87 58.93 1beg n SER 53 Cb 0.55 -0.54 0.24 0.00 -0.26 0.00 0.00 64.21 64.21 1beg n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1beg h THR 54 N 4.10 0.98 0.74 6.66 1.03 -1.92 -1.57 112.91 122.93 1beg h THR 54 Ca -0.07 -0.35 -0.04 0.00 -0.01 0.00 0.00 66.41 65.95 1beg h THR 54 Cb 0.85 -0.11 0.01 0.00 -1.07 0.00 0.00 68.15 67.82 1beg h THR 54 CO 0.65 0.18 -0.35 0.00 -0.01 0.00 0.00 175.52 175.99 1beg h ALA 55 N 1.52 -0.99 -0.40 0.00 0.00 -1.89 -2.25 119.26 115.25 1beg h ALA 55 Ca 0.45 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1beg h ALA 55 Cb 0.37 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1beg h ALA 55 CO -0.21 -1.05 0.09 0.00 0.00 0.00 0.00 179.25 178.09 1beg h ASN 57 N 0.58 0.58 0.49 0.00 2.35 -1.18 -2.00 115.58 116.40 1beg h ASN 57 Ca 0.13 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1beg h ASN 57 Cb 0.23 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1beg h ASN 57 CO -0.00 0.42 -0.32 0.74 -1.65 0.00 0.00 177.43 176.62 1beg h THR 58 N 0.69 0.34 -0.32 2.81 2.02 -1.01 -0.30 112.91 117.14 1beg h THR 58 Ca 0.19 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.41 1beg h THR 58 Cb -0.07 0.34 -0.07 0.00 -1.74 0.00 0.00 68.15 66.61 1beg h THR 58 CO -0.05 0.00 -0.52 0.24 0.37 0.00 0.00 175.52 175.56 1beg h MET 59 N -0.78 -0.40 0.50 6.66 2.86 -1.24 -0.37 114.93 122.17 1beg h MET 59 Ca -0.05 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1beg h MET 59 Cb 0.65 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1beg h MET 59 CO 0.04 -0.27 -0.24 0.82 1.06 0.00 0.00 176.91 178.33 1beg h ILE 60 N -0.41 0.41 -0.89 -1.22 2.04 -1.37 -2.67 117.51 113.40 1beg h ILE 60 Ca 0.06 -0.37 0.17 0.00 1.00 0.00 0.00 64.86 65.71 1beg h ILE 60 Cb 0.57 0.55 -0.10 0.00 -0.74 0.00 0.00 36.82 37.10 1beg h ILE 60 CO -0.52 0.05 0.46 0.50 0.00 0.00 0.00 178.15 178.64 1beg h LYS 61 N -0.93 0.59 -0.07 2.37 3.64 -1.03 -0.39 116.57 120.75 1beg h LYS 61 Ca -0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1beg h LYS 61 Cb 0.60 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1beg h LYS 61 CO 0.11 0.39 0.04 -0.22 -2.27 0.00 0.00 179.45 177.51 1beg h LYS 62 N 0.61 0.09 -0.78 1.90 3.64 -1.05 0.06 116.57 121.05 1beg h LYS 62 Ca 0.50 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.85 1beg h LYS 62 Cb 0.77 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 1beg h LYS 62 CO -0.39 0.06 0.37 0.82 -2.27 0.00 0.00 179.45 178.03 1beg h ILE 63 N 0.09 1.24 -0.47 2.00 2.04 -0.86 -2.55 117.51 119.01 1beg h ILE 63 Ca 0.03 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1beg h ILE 63 Cb -0.00 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 1beg h ILE 63 CO -0.01 0.29 0.09 0.58 0.00 0.00 0.00 178.15 179.10 1beg h VAL 64 N 1.10 1.24 -0.66 1.67 2.07 -0.72 -2.66 116.25 118.30 1beg h VAL 64 Ca 0.27 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.93 1beg h VAL 64 Cb 0.12 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1beg h VAL 64 CO -0.03 0.31 0.41 0.74 0.02 0.00 0.00 177.57 179.02 1beg h THR 65 N 0.63 1.09 -0.51 2.57 2.02 -0.69 -2.29 112.91 115.73 1beg h THR 65 Ca 0.14 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 1beg h THR 65 Cb 0.37 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1beg h THR 65 CO 0.01 0.15 0.05 -0.07 0.37 0.00 0.00 175.52 176.02 1beg h LEU 66 N 0.81 0.79 -2.32 2.58 3.38 -1.32 -3.48 115.31 115.75 1beg h LEU 66 Ca 0.26 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1beg h LEU 66 Cb 0.01 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1beg h LEU 66 CO -0.10 0.83 -0.31 -3.20 0.09 0.00 0.00 178.44 175.75 1beg n ASN 67 N -4.23 -7.85 -4.76 -0.43 5.15 -0.86 -5.02 115.26 97.25 1beg n ASN 67 Ca 0.03 0.31 -0.29 0.00 -0.60 0.00 0.00 54.58 54.04 1beg n ASN 67 Cb 0.28 -5.33 0.14 0.00 -0.53 0.00 0.00 39.78 34.34 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 -2.74 1.08 0.59 1.20 0.04 -1.26 -5.06 135.00 128.84 1beg s PRO 68 Ca 0.16 0.39 -0.09 0.00 0.04 0.00 0.00 61.00 61.50 1beg s PRO 68 Cb -0.04 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1beg s PRO 68 CO 0.75 -2.26 0.96 -1.25 0.04 0.00 0.00 177.00 175.25 1beg s PRO 69 N -5.19 3.46 -0.35 0.56 0.04 -1.26 -4.88 135.00 127.37 1beg s PRO 69 Ca 0.64 0.51 -0.25 0.00 0.04 0.00 0.00 61.00 61.94 1beg s PRO 69 Cb -0.16 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.23 1beg s PRO 69 CO 0.54 -0.53 0.90 1.21 0.04 0.00 0.00 177.00 179.16 1beg s ASN 70 N -4.19 6.68 -0.05 6.66 2.47 -1.26 -4.41 114.94 120.84 1beg s ASN 70 Ca 0.53 0.59 -0.29 0.00 0.42 0.00 0.00 52.86 54.11 1beg s ASN 70 Cb -0.11 -2.45 0.11 0.00 -1.45 0.00 0.00 41.25 37.35 1beg s ASN 70 CO 0.51 -0.80 0.92 0.00 -3.72 0.00 0.00 177.10 174.00 1beg s ASP 72 N -2.14 7.18 -0.33 0.00 1.11 -1.26 -4.33 116.67 116.89 1beg s ASP 72 Ca 0.03 1.40 0.03 0.00 0.18 0.00 0.00 52.55 54.19 1beg s ASP 72 Cb -0.01 -2.42 0.10 0.00 1.07 0.00 0.00 42.92 41.66 1beg s ASP 72 CO -0.06 0.17 0.05 -0.22 1.18 0.00 0.00 175.17 176.29 1beg s LEU 73 N -0.75 4.42 0.44 1.23 1.98 -0.61 -2.73 118.68 122.64 1beg s LEU 73 Ca 0.33 -2.07 -0.22 0.00 -2.89 0.00 0.00 54.13 49.29 1beg s LEU 73 Cb -0.21 -1.54 -0.09 0.00 0.66 0.00 0.00 46.19 45.02 1beg s LEU 73 CO 0.22 -0.38 1.02 -0.89 -1.89 0.00 0.00 176.35 174.43 1beg s THR 74 N 0.99 3.92 -0.27 3.68 2.01 -1.26 -0.79 115.64 123.92 1beg s THR 74 Ca 0.10 1.30 -0.02 0.00 0.31 0.00 0.00 61.69 63.39 1beg s THR 74 Cb -0.19 -3.59 0.03 0.00 0.01 0.00 0.00 72.50 68.76 1beg s THR 74 CO -0.10 -0.15 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.95 1beg s VAL 75 N -1.89 2.95 -0.41 3.82 1.01 -0.72 -4.90 120.40 120.25 1beg s VAL 75 Ca 0.62 -1.14 0.26 0.00 0.00 0.00 0.00 61.98 61.72 1beg s VAL 75 Cb -0.17 -2.57 0.33 0.00 0.00 0.00 0.00 36.38 33.97 1beg s VAL 75 CO 0.21 0.09 1.73 1.55 0.00 0.00 0.00 175.10 178.68 1beg h PRO 76 N 8.01 0.00 -0.66 2.72 0.13 -1.93 -3.28 132.00 137.00 1beg h PRO 76 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1beg h PRO 76 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1beg h PRO 76 CO 0.56 0.00 0.00 -2.37 -0.23 0.00 0.00 178.00 175.96 1beg n THR 77 N -2.81 1.69 0.00 1.56 5.66 -1.26 -4.57 114.28 114.55 1beg n THR 77 Ca 0.04 -1.10 0.00 0.00 -3.05 0.00 0.00 64.05 59.93 1beg n THR 77 Cb 0.43 0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 1beg n THR 77 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1beg n SER 78 N 1.09 1.50 -0.19 1.09 3.41 -1.25 -4.70 113.62 114.58 1beg n SER 78 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1beg n SER 78 Cb 0.84 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1beg n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1beg n GLY 79 N 2.24 0.52 3.59 5.00 0.00 -1.24 -4.74 105.19 110.56 1beg n GLY 79 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.38 -0.17 0.19 0.99 0.20 -1.25 -4.98 118.68 113.28 1beg s LEU 80 Ca 0.00 -0.05 0.04 0.00 0.69 0.00 0.00 54.13 54.82 1beg s LEU 80 Cb 0.00 1.54 -0.03 0.00 -0.43 0.00 0.00 46.19 47.27 1beg s LEU 80 CO 0.00 -0.35 0.25 0.54 -0.29 0.00 0.00 176.35 176.50 1beg s VAL 81 N -2.59 4.99 -0.07 1.68 0.11 -1.26 -1.76 120.40 121.50 1beg s VAL 81 Ca 0.10 -0.95 -0.00 0.00 -2.93 0.00 0.00 61.98 58.20 1beg s VAL 81 Cb 0.00 -3.61 0.03 0.00 -1.53 0.00 0.00 36.38 31.26 1beg s VAL 81 CO -0.05 -0.18 -0.02 -0.22 -3.33 0.00 0.00 175.10 171.30 1beg s LEU 82 N -3.45 0.88 -0.87 2.54 2.96 0.03 -4.85 118.68 115.92 1beg s LEU 82 Ca 0.33 -0.11 -0.18 0.00 -0.22 0.00 0.00 54.13 53.94 1beg s LEU 82 Cb -0.10 -0.47 0.13 0.00 0.50 0.00 0.00 46.19 46.25 1beg s LEU 82 CO 0.27 -0.14 1.04 0.21 -1.32 0.00 0.00 176.35 176.41 1beg s ASN 83 N 1.60 6.58 0.41 3.68 2.47 -1.26 -1.58 114.94 126.84 1beg s ASN 83 Ca -0.00 -2.00 0.13 0.00 0.42 0.00 0.00 52.86 51.41 1beg s ASN 83 Cb -0.13 -2.37 0.98 0.00 -1.45 0.00 0.00 41.25 38.28 1beg s ASN 83 CO -0.04 -1.04 1.94 0.58 -3.72 0.00 0.00 177.10 174.82 1beg h VAL 84 N 5.72 0.86 0.55 -5.21 2.07 -1.91 0.76 116.25 119.09 1beg h VAL 84 Ca 0.08 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1beg h VAL 84 Cb 1.03 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1beg h VAL 84 CO 1.07 0.09 -0.27 0.22 0.02 0.00 0.00 177.57 178.70 1beg h TYR 85 N 0.49 -0.69 0.00 1.57 3.20 -1.81 -3.15 116.97 116.58 1beg h TYR 85 Ca 0.34 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.20 1beg h TYR 85 Cb 0.66 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1beg h TYR 85 CO -0.00 -0.43 0.00 1.03 -1.64 0.00 0.00 178.16 177.12 1beg h SER 86 N -0.98 0.00 0.80 -2.11 0.87 -1.89 -3.18 113.55 107.06 1beg h SER 86 Ca -0.08 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 1beg h SER 86 Cb 0.57 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1beg h SER 86 CO 0.12 0.00 -0.38 0.22 -0.53 0.00 0.00 176.83 176.26 1beg h TYR 87 N 0.00 -1.00 0.23 2.24 3.20 -0.81 0.20 116.97 121.04 1beg h TYR 87 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1beg h TYR 87 Cb 0.23 0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 1beg h TYR 87 CO 0.00 -0.61 -0.42 0.00 -1.64 0.00 0.00 178.16 175.48 1beg h ALA 88 N -1.21 -0.99 0.00 1.82 0.00 -1.56 -0.87 119.26 116.45 1beg h ALA 88 Ca -0.11 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 1beg h ALA 88 Cb 0.83 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1beg h ALA 88 CO 0.18 -1.06 -0.55 -2.95 0.00 0.00 0.00 179.25 174.87 1beg h ASN 89 N -0.70 0.00 0.04 0.00 7.08 -1.68 -3.37 115.58 116.94 1beg h ASN 89 Ca -0.03 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.12 1beg h ASN 89 Cb 0.66 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.90 1beg h ASN 89 CO -0.16 0.55 -0.35 1.23 -2.08 0.00 0.00 177.43 176.62 1beg h GLY 90 N 2.64 0.10 -0.33 9.14 0.00 -0.58 -3.30 103.07 110.74 1beg h GLY 90 Ca -0.01 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.11 1beg h GLY 90 CO 0.07 0.22 -0.39 -2.75 0.00 0.00 0.00 176.54 173.69 1beg h PHE 91 N -0.81 -1.19 -0.73 5.60 3.57 -1.26 -1.08 116.94 121.03 1beg h PHE 91 Ca -0.07 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.56 1beg h PHE 91 Cb 1.21 0.56 -0.06 0.00 2.79 0.00 0.00 35.95 40.46 1beg h PHE 91 CO 0.24 -0.33 0.41 1.03 -2.23 0.00 0.00 178.31 177.43 1beg h SER 92 N -0.24 0.59 -0.20 0.41 0.87 -1.77 -0.29 113.55 112.92 1beg h SER 92 Ca 0.06 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1beg h SER 92 Cb 0.40 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 1beg h SER 92 CO -0.44 0.37 0.02 -1.13 -0.53 0.00 0.00 176.83 175.12 1beg h ASN 93 N 0.73 -0.04 1.28 6.23 -1.24 -1.48 -1.60 115.58 119.45 1beg h ASN 93 Ca 0.34 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.38 1beg h ASN 93 Cb 0.25 0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1beg h ASN 93 CO -0.21 0.01 0.00 1.17 -1.29 0.00 0.00 177.43 177.11 1beg n LYS 94 N -5.11 0.25 -0.00 6.67 0.00 -0.46 -2.14 118.16 117.36 1beg n LYS 94 Ca -0.02 0.28 -0.12 0.00 0.00 0.00 0.00 58.31 58.45 1beg n LYS 94 Cb 0.10 -1.83 -0.09 0.00 0.00 0.00 0.00 35.03 33.20 1beg n LYS 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1beg h SER 96 N -0.81 0.83 -0.10 0.00 0.87 -1.48 -3.06 113.55 109.80 1beg h SER 96 Ca -0.01 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1beg h SER 96 Cb 0.62 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1beg h SER 96 CO 0.02 0.96 0.00 -1.20 -0.53 0.00 0.00 176.83 176.08 1beg n SER 97 N -4.16 1.76 0.00 6.23 7.64 -0.91 -5.13 113.62 119.06 1beg n SER 97 Ca 0.01 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.25 1beg n SER 97 Cb 0.38 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1beg n SER 97 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92