#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 3.15 0.00 6.98 0.00 -1.26 -4.97 121.76 125.67 1beg s ALA 2 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.41 1beg s ALA 2 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.83 1beg s ALA 2 CO 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 175.76 173.91 1beg s THR 4 N 0.00 -0.43 0.00 0.00 2.01 -1.26 -4.96 115.64 111.01 1beg s THR 4 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1beg s THR 4 Cb 0.00 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.66 1beg s THR 4 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 1beg n ALA 5 N 5.39 0.00 -0.02 7.40 0.00 -1.26 -1.39 120.51 130.64 1beg n ALA 5 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 1beg n ALA 5 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 1beg n ALA 5 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1beg h THR 6 N 0.00 0.93 -0.65 0.00 1.35 -1.99 -2.35 112.91 110.20 1beg h THR 6 Ca 0.00 -0.03 0.10 0.00 -0.55 0.00 0.00 66.41 65.93 1beg h THR 6 Cb 0.00 0.85 -0.04 0.00 -1.73 0.00 0.00 68.15 67.23 1beg h THR 6 CO 0.00 0.01 0.43 1.56 -0.25 0.00 0.00 175.52 177.28 1beg h GLN 7 N 0.08 0.46 0.31 4.72 4.20 -1.62 -1.23 115.11 122.03 1beg h GLN 7 Ca 0.06 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1beg h GLN 7 Cb 0.06 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1beg h GLN 7 CO -0.09 0.31 -0.15 1.96 -0.67 0.00 0.00 178.83 180.19 1beg h GLN 8 N 0.48 -0.41 0.00 1.46 1.08 -1.60 -2.63 115.11 113.50 1beg h GLN 8 Ca 0.30 0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.52 1beg h GLN 8 Cb 0.54 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1beg h GLN 8 CO -0.09 -0.27 -0.01 0.00 -0.95 0.00 0.00 178.83 177.51 1beg h THR 9 N -0.80 0.22 -0.04 -0.54 1.03 -1.40 -0.21 112.91 111.17 1beg h THR 9 Ca -0.04 -0.08 -0.03 0.00 -0.01 0.00 0.00 66.41 66.25 1beg h THR 9 Cb 0.32 1.06 0.00 0.00 -1.07 0.00 0.00 68.15 68.47 1beg h THR 9 CO 0.07 0.01 -0.10 0.00 -0.01 0.00 0.00 175.52 175.49 1beg h ALA 10 N 1.99 0.06 -0.59 0.00 0.00 -1.28 0.12 119.26 119.55 1beg h ALA 10 Ca -0.00 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.61 1beg h ALA 10 Cb 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1beg h ALA 10 CO 0.00 -0.06 0.34 0.00 0.00 0.00 0.00 179.25 179.53 1beg h ALA 11 N 0.43 0.78 -0.64 0.00 0.00 -0.90 -1.30 119.26 117.63 1beg h ALA 11 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1beg h ALA 11 Cb 0.71 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1beg h ALA 11 CO 0.02 0.04 0.40 1.88 0.00 0.00 0.00 179.25 181.59 1beg h TYR 12 N 0.66 0.74 0.13 0.00 -1.99 -0.90 -0.04 116.97 115.57 1beg h TYR 12 Ca 0.25 0.02 0.01 0.00 2.00 0.00 0.00 58.73 61.02 1beg h TYR 12 Cb 0.09 -0.24 -0.05 0.00 2.00 0.00 0.00 36.73 38.53 1beg h TYR 12 CO -0.07 0.42 -0.51 -0.22 -0.00 0.00 0.00 178.16 177.78 1beg h LYS 13 N 0.78 -0.72 0.09 4.88 3.64 0.43 0.19 116.57 125.86 1beg h LYS 13 Ca 0.26 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1beg h LYS 13 Cb 0.02 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1beg h LYS 13 CO -0.10 -0.48 -0.04 0.00 -2.27 0.00 0.00 179.45 176.55 1beg h THR 14 N -0.75 1.15 0.29 1.00 1.03 -1.34 -2.57 112.91 111.72 1beg h THR 14 Ca -0.00 -1.19 -0.01 0.00 -0.01 0.00 0.00 66.41 65.21 1beg h THR 14 Cb 0.75 1.87 -0.02 0.00 -1.07 0.00 0.00 68.15 69.68 1beg h THR 14 CO -0.28 0.28 -0.37 -0.07 -0.01 0.00 0.00 175.52 175.07 1beg h LEU 15 N -0.70 -1.04 -0.62 0.00 4.07 -0.99 -1.97 115.31 114.06 1beg h LEU 15 Ca -0.01 0.09 0.07 0.00 0.08 0.00 0.00 57.88 58.10 1beg h LEU 15 Cb 0.55 0.36 -0.06 0.00 1.08 0.00 0.00 40.66 42.59 1beg h LEU 15 CO 0.02 -0.46 0.32 0.58 -1.08 0.00 0.00 178.44 177.82 1beg h VAL 16 N -0.67 0.91 -0.12 1.22 2.07 -0.78 -0.93 116.25 117.95 1beg h VAL 16 Ca -0.03 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1beg h VAL 16 Cb 0.60 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1beg h VAL 16 CO -0.09 0.11 0.09 0.28 0.02 0.00 0.00 177.57 177.97 1beg h SER 17 N 0.58 0.00 -2.54 0.57 0.02 -1.27 -3.11 113.55 107.81 1beg h SER 17 Ca 0.29 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.50 1beg h SER 17 Cb 0.23 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.45 1beg h SER 17 CO -0.21 0.00 0.42 -0.38 -1.14 0.00 0.00 176.83 175.52 1beg n ILE 18 N -4.39 4.70 0.17 3.27 2.08 -0.35 -4.63 119.36 120.22 1beg n ILE 18 Ca -0.00 -5.78 0.00 0.00 0.56 0.00 0.00 62.75 57.53 1beg n ILE 18 Cb 0.21 -1.88 0.00 0.00 -0.75 0.00 0.00 39.64 37.22 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 0.71 -1.90 -2.40 1.39 4.77 -1.17 -4.90 117.00 113.49 1beg n LEU 19 Ca 0.32 0.64 -0.35 0.00 -0.03 0.00 0.00 56.01 56.59 1beg n LEU 19 Cb 0.34 1.90 0.07 0.00 -2.33 0.00 0.00 43.42 43.40 1beg n LEU 19 CO 0.57 -0.31 1.47 -0.24 -1.33 0.00 0.00 177.39 177.56 1beg n SER 20 N -3.40 7.69 -4.57 -1.43 2.88 -1.26 -4.73 113.62 108.80 1beg n SER 20 Ca 0.00 -3.79 -0.25 0.00 -1.33 0.00 0.00 58.87 53.50 1beg n SER 20 Cb 0.00 -0.99 -0.09 0.00 -0.75 0.00 0.00 64.21 62.38 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 -1.72 3.96 0.00 -3.46 2.15 -1.26 -5.05 116.67 111.29 1beg s ASP 21 Ca 0.63 -1.02 0.00 0.00 0.43 0.00 0.00 52.55 52.60 1beg s ASP 21 Cb 0.50 -0.46 0.00 0.00 -0.30 0.00 0.00 42.92 42.65 1beg s ASP 21 CO -0.06 -0.13 0.81 0.00 -0.17 0.00 0.00 175.17 175.61 1beg n ALA 22 N -0.83 2.33 -0.11 3.66 0.00 -1.26 -3.38 120.51 120.92 1beg n ALA 22 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 1beg n ALA 22 Cb 0.62 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.46 1.87 -0.03 0.00 2.88 -1.26 -3.69 113.62 112.93 1beg n SER 23 Ca 0.00 0.32 -0.11 0.00 -1.33 0.00 0.00 58.87 57.75 1beg n SER 23 Cb 0.01 -0.75 -0.05 0.00 -0.75 0.00 0.00 64.21 62.67 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 -0.94 0.19 -0.80 0.66 3.57 -1.89 -0.82 116.94 116.91 1beg h PHE 24 Ca -0.42 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 1beg h PHE 24 Cb 1.34 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.99 1beg h PHE 24 CO -0.20 0.24 0.49 -0.91 -2.23 0.00 0.00 178.31 175.69 1beg h ASN 25 N 0.09 0.96 -0.58 0.41 4.21 -1.80 -1.02 115.58 117.85 1beg h ASN 25 Ca 0.05 -0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.48 1beg h ASN 25 Cb 0.12 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.05 1beg h ASN 25 CO -0.01 0.74 0.29 -0.61 -1.29 0.00 0.00 177.43 176.55 1beg h GLN 26 N 1.10 0.82 0.11 0.81 5.75 -1.55 -2.69 115.11 119.45 1beg h GLN 26 Ca 0.29 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1beg h GLN 26 Cb -0.05 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.35 1beg h GLN 26 CO -0.05 0.65 -0.05 0.00 -2.65 0.00 0.00 178.83 176.73 1beg h SER 28 N -0.82 -0.02 0.04 0.00 0.87 -1.21 -1.07 113.55 111.34 1beg h SER 28 Ca -0.01 0.20 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1beg h SER 28 Cb 0.57 0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 62.75 1beg h SER 28 CO 0.02 -0.16 -0.34 0.74 -0.53 0.00 0.00 176.83 176.57 1beg h THR 29 N 0.20 0.28 0.16 2.23 2.02 -1.59 -3.34 112.91 112.87 1beg h THR 29 Ca 0.54 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.71 1beg h THR 29 Cb 1.08 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1beg h THR 29 CO -0.66 0.00 -0.08 0.44 0.37 0.00 0.00 175.52 175.60 1beg h ASP 30 N -0.52 -0.18 -0.03 4.18 5.19 -1.62 -3.47 116.42 119.97 1beg h ASP 30 Ca 0.05 0.01 0.15 0.00 -0.62 0.00 0.00 57.03 56.62 1beg h ASP 30 Cb 0.59 0.05 -0.17 0.00 0.18 0.00 0.00 39.33 39.97 1beg h ASP 30 CO -0.25 0.27 -0.04 -0.44 -3.12 0.00 0.00 179.24 175.66 1beg s SER 31 N -5.18 -0.05 0.00 6.45 0.01 -0.56 -5.06 113.70 109.30 1beg s SER 31 Ca -0.03 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.20 1beg s SER 31 Cb 0.00 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1beg s SER 31 CO 0.09 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.35 1beg n GLY 32 N 3.37 0.37 0.56 3.44 0.00 -0.51 -4.22 105.19 108.20 1beg n GLY 32 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.28 -1.51 -3.15 1.61 9.36 -1.26 -4.64 117.16 117.28 1beg n TYR 33 Ca 0.00 0.83 -0.42 0.00 3.32 0.00 0.00 57.90 61.63 1beg n TYR 33 Cb 0.00 -1.47 -0.07 0.00 -0.63 0.00 0.00 39.34 37.17 1beg n TYR 33 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1beg s SER 34 N -4.59 6.34 -0.07 2.98 0.01 -1.26 -4.69 113.70 112.42 1beg s SER 34 Ca 0.00 -0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.12 1beg s SER 34 Cb 0.00 -2.30 -0.25 0.00 0.21 0.00 0.00 66.02 63.68 1beg s SER 34 CO 0.00 -0.65 0.54 -0.03 0.41 0.00 0.00 173.24 173.51 1beg h MET 35 N 8.67 0.13 0.00 12.44 4.05 -1.93 -3.31 114.93 134.98 1beg h MET 35 Ca -0.26 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1beg h MET 35 Cb 1.11 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 1beg h MET 35 CO 0.85 0.84 -0.47 1.47 0.23 0.00 0.00 176.91 179.82 1beg n LEU 36 N -3.25 0.58 -2.80 3.39 -0.00 -1.26 -4.52 117.00 109.14 1beg n LEU 36 Ca -0.23 0.22 -0.10 0.00 -0.00 0.00 0.00 56.01 55.89 1beg n LEU 36 Cb 1.05 -0.25 0.05 0.00 -0.00 0.00 0.00 43.42 44.27 1beg n LEU 36 CO 0.44 -0.01 0.07 1.07 -0.00 0.00 0.00 177.39 178.97 1beg n THR 37 N -1.88 0.36 -3.96 1.47 5.66 -1.26 -4.84 114.28 109.84 1beg n THR 37 Ca 0.04 -2.80 -0.09 0.00 -3.05 0.00 0.00 64.05 58.15 1beg n THR 37 Cb 0.40 0.66 -0.05 0.00 -1.55 0.00 0.00 70.33 69.78 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 -1.70 -0.37 -0.05 1.79 0.00 -1.25 -4.94 121.76 115.24 1beg s ALA 38 Ca 0.28 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 1beg s ALA 38 Cb 0.40 1.01 -0.19 0.00 0.00 0.00 0.00 23.12 24.34 1beg s ALA 38 CO -0.03 -0.85 3.30 1.63 0.00 0.00 0.00 175.76 179.81 1beg n LYS 39 N -0.37 1.91 0.00 0.00 4.01 -1.26 -4.72 118.16 117.73 1beg n LYS 39 Ca -0.03 -1.01 0.00 0.00 -0.51 0.00 0.00 58.31 56.75 1beg n LYS 39 Cb 0.62 -1.88 0.00 0.00 -0.51 0.00 0.00 35.03 33.26 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 2.17 0.00 -1.45 7.82 0.00 -1.26 -4.62 120.51 123.16 1beg n ALA 40 Ca 0.38 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.37 1beg n ALA 40 Cb 0.82 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.14 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 0.67 -4.93 0.00 4.77 -1.26 -4.95 117.00 111.31 1beg n LEU 41 Ca 0.00 0.22 -0.30 0.00 -0.03 0.00 0.00 56.01 55.90 1beg n LEU 41 Cb 0.00 -1.00 0.20 0.00 -2.33 0.00 0.00 43.42 40.30 1beg n LEU 41 CO 0.00 -0.81 0.88 -2.16 -1.33 0.00 0.00 177.39 173.97 1beg s PRO 42 N 8.22 0.34 0.40 3.23 0.04 -1.26 -5.07 135.00 140.89 1beg s PRO 42 Ca 1.28 -0.49 -0.23 0.00 0.04 0.00 0.00 61.00 61.59 1beg s PRO 42 Cb -1.18 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 31.44 1beg s PRO 42 CO 0.50 -2.60 0.99 0.95 0.04 0.00 0.00 177.00 176.88 1beg s THR 43 N -3.92 4.05 0.33 1.26 -4.23 -1.26 -4.93 115.64 106.94 1beg s THR 43 Ca 0.76 1.48 0.06 0.00 -1.18 0.00 0.00 61.69 62.82 1beg s THR 43 Cb -0.03 -3.72 0.31 0.00 1.34 0.00 0.00 72.50 70.40 1beg s THR 43 CO 0.54 -0.07 1.85 0.00 -0.54 0.00 0.00 174.62 176.39 1beg h THR 44 N 2.15 0.84 0.37 3.99 1.03 -1.98 -1.06 112.91 118.26 1beg h THR 44 Ca -0.48 -0.27 -0.02 0.00 -0.01 0.00 0.00 66.41 65.63 1beg h THR 44 Cb 1.20 -0.02 0.00 0.00 -1.07 0.00 0.00 68.15 68.26 1beg h THR 44 CO 0.62 0.14 -0.20 0.00 -0.01 0.00 0.00 175.52 176.07 1beg h ALA 45 N 1.59 -1.10 -0.98 0.00 0.00 -2.00 -1.32 119.26 115.45 1beg h ALA 45 Ca 0.48 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.44 1beg h ALA 45 Cb 0.69 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 1beg h ALA 45 CO -0.25 -1.07 0.59 1.96 0.00 0.00 0.00 179.25 180.48 1beg h GLN 46 N -0.53 0.78 -0.24 0.00 4.20 -1.94 -1.65 115.11 115.74 1beg h GLN 46 Ca -0.05 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.67 1beg h GLN 46 Cb 0.41 -0.18 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 1beg h GLN 46 CO 0.07 0.52 -0.17 1.88 -0.67 0.00 0.00 178.83 180.45 1beg h TYR 47 N 0.80 -0.45 -0.11 2.96 0.05 -0.90 0.20 116.97 119.53 1beg h TYR 47 Ca 0.54 0.03 0.02 0.00 0.05 0.00 0.00 58.73 59.37 1beg h TYR 47 Cb 0.75 0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.70 1beg h TYR 47 CO -0.02 -0.25 -0.01 1.57 -1.05 0.00 0.00 178.16 178.40 1beg h LYS 48 N -0.17 0.02 -0.86 4.88 2.10 -0.27 -1.39 116.57 120.89 1beg h LYS 48 Ca 0.13 -0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.81 1beg h LYS 48 Cb 0.37 -0.01 -0.05 0.00 -0.90 0.00 0.00 32.23 31.65 1beg h LYS 48 CO -0.34 0.02 0.56 -0.07 -2.00 0.00 0.00 179.45 177.62 1beg h LEU 49 N 0.02 0.93 -0.16 7.07 -0.00 -1.22 -2.83 115.31 119.13 1beg h LEU 49 Ca 0.05 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 1beg h LEU 49 Cb 0.07 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.51 1beg h LEU 49 CO -0.10 0.64 0.08 0.24 -0.00 0.00 0.00 178.44 179.30 1beg h MET 50 N 1.08 0.22 -0.27 1.13 2.86 -0.31 -3.02 114.93 116.63 1beg h MET 50 Ca 0.34 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 58.02 1beg h MET 50 Cb 0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1beg h MET 50 CO -0.10 0.26 0.27 0.00 1.06 0.00 0.00 176.91 178.40 1beg h ALA 52 N 1.71 0.57 -2.17 0.00 0.00 -1.54 -3.45 119.26 114.37 1beg h ALA 52 Ca 0.13 -0.64 -0.57 0.00 0.00 0.00 0.00 54.91 53.83 1beg h ALA 52 Cb 0.67 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1beg h ALA 52 CO -0.00 0.80 0.72 0.45 0.00 0.00 0.00 179.25 181.22 1beg s SER 53 N -6.98 7.13 0.58 0.00 0.15 -1.01 -4.96 113.70 108.61 1beg s SER 53 Ca -0.05 1.51 0.27 0.00 0.70 0.00 0.00 55.95 58.38 1beg s SER 53 Cb 0.10 -2.55 1.66 0.00 -1.71 0.00 0.00 66.02 63.53 1beg s SER 53 CO 0.84 -0.60 2.18 0.00 1.20 0.00 0.00 173.24 176.86 1beg h THR 54 N 5.29 0.60 -0.70 6.45 1.03 -1.87 -2.75 112.91 120.96 1beg h THR 54 Ca -0.25 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.11 1beg h THR 54 Cb 1.10 0.94 -0.03 0.00 -1.07 0.00 0.00 68.15 69.09 1beg h THR 54 CO 0.93 0.00 0.30 0.00 -0.01 0.00 0.00 175.52 176.74 1beg h ALA 55 N 1.92 0.91 -0.39 0.00 0.00 -1.92 -2.39 119.26 117.38 1beg h ALA 55 Ca 0.04 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1beg h ALA 55 Cb 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1beg h ALA 55 CO -0.00 0.51 -0.19 0.00 0.00 0.00 0.00 179.25 179.57 1beg h ASN 57 N 0.62 -0.13 -0.75 0.00 4.21 -1.53 -1.59 115.58 116.41 1beg h ASN 57 Ca 0.09 0.04 0.11 0.00 1.21 0.00 0.00 56.30 57.75 1beg h ASN 57 Cb 0.74 0.08 -0.08 0.00 -1.12 0.00 0.00 38.32 37.94 1beg h ASN 57 CO 0.06 -0.05 0.37 0.74 -1.29 0.00 0.00 177.43 177.26 1beg h THR 58 N -0.01 0.80 0.96 2.81 2.02 -1.37 -0.15 112.91 117.98 1beg h THR 58 Ca 0.06 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1beg h THR 58 Cb 0.10 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1beg h THR 58 CO -0.13 0.11 -0.46 0.24 0.37 0.00 0.00 175.52 175.64 1beg h MET 59 N 0.60 -1.24 -0.12 6.66 2.86 -1.02 -2.24 114.93 120.43 1beg h MET 59 Ca 0.38 0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 58.10 1beg h MET 59 Cb 0.46 0.28 -0.00 0.00 0.06 0.00 0.00 31.60 32.40 1beg h MET 59 CO -0.31 -0.83 0.03 0.82 1.06 0.00 0.00 176.91 177.68 1beg h ILE 60 N -1.30 1.21 -0.95 -1.22 1.08 -1.26 -2.46 117.51 112.60 1beg h ILE 60 Ca -0.13 -0.64 0.11 0.00 -0.39 0.00 0.00 64.86 63.80 1beg h ILE 60 Cb 0.99 1.40 -0.07 0.00 -3.07 0.00 0.00 36.82 36.07 1beg h ILE 60 CO 0.22 0.19 0.61 0.50 -0.69 0.00 0.00 178.15 178.97 1beg h LYS 61 N -0.01 0.92 -0.14 2.37 3.11 -1.12 0.20 116.57 121.90 1beg h LYS 61 Ca 0.04 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.79 1beg h LYS 61 Cb 0.27 -0.21 -0.00 0.00 -1.00 0.00 0.00 32.23 31.29 1beg h LYS 61 CO 0.00 0.61 -0.02 0.87 -2.81 0.00 0.00 179.45 178.10 1beg h LYS 62 N 0.95 0.27 -0.91 1.90 1.57 -1.29 -0.71 116.57 118.34 1beg h LYS 62 Ca 0.45 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 59.13 1beg h LYS 62 Cb 0.44 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 1beg h LYS 62 CO -0.22 0.53 0.53 0.82 -0.57 0.00 0.00 179.45 180.54 1beg h ILE 63 N -0.02 1.26 0.50 1.86 1.08 -0.86 -2.25 117.51 119.07 1beg h ILE 63 Ca 0.04 -0.59 -0.02 0.00 -0.39 0.00 0.00 64.86 63.90 1beg h ILE 63 Cb 0.43 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.17 1beg h ILE 63 CO 0.01 0.28 -0.24 0.58 -0.69 0.00 0.00 178.15 178.09 1beg h VAL 64 N 1.26 0.00 -0.87 1.67 2.07 -0.89 -3.21 116.25 116.28 1beg h VAL 64 Ca 0.32 -0.33 0.23 0.00 0.82 0.00 0.00 66.70 67.74 1beg h VAL 64 Cb -0.02 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.61 1beg h VAL 64 CO -0.06 0.00 0.25 0.71 0.02 0.00 0.00 177.57 178.49 1beg h THR 65 N -0.99 0.35 -1.00 2.57 1.35 -1.14 0.22 112.91 114.26 1beg h THR 65 Ca -0.07 -0.08 0.17 0.00 -0.55 0.00 0.00 66.41 65.88 1beg h THR 65 Cb 0.51 0.09 -0.10 0.00 -1.73 0.00 0.00 68.15 66.92 1beg h THR 65 CO 0.11 0.04 0.62 -0.07 -0.25 0.00 0.00 175.52 175.97 1beg h LEU 66 N 0.23 0.83 -2.57 3.87 -0.00 -1.45 -3.48 115.31 112.75 1beg h LEU 66 Ca 0.54 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 58.50 1beg h LEU 66 Cb 1.08 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 1beg h LEU 66 CO -0.63 0.35 -0.16 -3.20 -0.00 0.00 0.00 178.44 174.79 1beg n ASN 67 N -4.72 -5.78 -4.80 -0.43 5.15 0.76 -5.04 115.26 100.40 1beg n ASN 67 Ca 0.22 0.15 -0.33 0.00 -0.60 0.00 0.00 54.58 54.02 1beg n ASN 67 Cb 0.50 -3.80 0.00 0.00 -0.53 0.00 0.00 39.78 35.95 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 -2.51 3.38 0.21 1.20 0.04 -1.26 -5.04 135.00 131.03 1beg s PRO 68 Ca 0.08 1.29 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 1beg s PRO 68 Cb -0.02 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.40 1beg s PRO 68 CO 0.49 -0.77 0.92 -1.25 0.04 0.00 0.00 177.00 176.43 1beg s PRO 69 N -3.82 4.80 -0.18 0.56 0.04 -1.26 -4.86 135.00 130.28 1beg s PRO 69 Ca 0.65 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 1beg s PRO 69 Cb -0.17 -3.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 1beg s PRO 69 CO 0.33 0.48 1.96 0.54 0.04 0.00 0.00 177.00 180.35 1beg s ASN 70 N -1.00 5.94 -0.30 6.66 4.22 -1.26 -4.71 114.94 124.50 1beg s ASN 70 Ca 0.41 1.91 -0.28 0.00 -2.14 0.00 0.00 52.86 52.76 1beg s ASN 70 Cb -0.25 -2.52 0.20 0.00 1.28 0.00 0.00 41.25 39.95 1beg s ASN 70 CO 0.31 -1.57 1.42 0.00 -2.04 0.00 0.00 177.10 175.22 1beg s ASP 72 N -0.67 4.85 -0.33 0.00 1.01 -1.26 -4.49 116.67 115.79 1beg s ASP 72 Ca 0.09 2.30 -0.00 0.00 0.71 0.00 0.00 52.55 55.65 1beg s ASP 72 Cb -0.02 -2.59 0.13 0.00 1.01 0.00 0.00 42.92 41.46 1beg s ASP 72 CO -0.11 -1.82 0.26 -0.22 0.21 0.00 0.00 175.17 173.49 1beg s LEU 73 N -4.58 0.26 0.36 1.23 1.98 -0.30 -3.37 118.68 114.25 1beg s LEU 73 Ca 0.74 -1.43 -0.25 0.00 -2.89 0.00 0.00 54.13 50.30 1beg s LEU 73 Cb -0.28 0.13 -0.10 0.00 0.66 0.00 0.00 46.19 46.60 1beg s LEU 73 CO 0.39 -0.35 0.97 -0.89 -1.89 0.00 0.00 176.35 174.58 1beg s THR 74 N 1.75 4.16 -0.24 3.68 2.01 -1.26 -1.69 115.64 124.04 1beg s THR 74 Ca 0.13 1.66 -0.10 0.00 0.31 0.00 0.00 61.69 63.70 1beg s THR 74 Cb -0.17 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 1beg s THR 74 CO -0.18 0.02 0.15 -0.69 -0.69 0.00 0.00 174.62 173.23 1beg s VAL 75 N -1.75 5.17 0.16 3.82 1.01 -0.66 -4.95 120.40 123.21 1beg s VAL 75 Ca 0.54 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.55 1beg s VAL 75 Cb -0.17 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1beg s VAL 75 CO 0.22 0.34 1.52 1.55 0.00 0.00 0.00 175.10 178.73 1beg h PRO 76 N 7.69 0.89 0.06 2.72 0.13 -1.93 -1.80 132.00 139.74 1beg h PRO 76 Ca -0.37 -0.44 -0.00 0.00 -0.87 0.00 0.00 66.00 64.31 1beg h PRO 76 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1beg h PRO 76 CO 0.63 1.09 -0.03 1.15 -0.23 0.00 0.00 178.00 180.61 1beg h THR 77 N 0.73 1.28 0.08 1.56 2.02 -1.95 -3.36 112.91 113.28 1beg h THR 77 Ca 0.07 -1.35 -0.28 0.00 0.77 0.00 0.00 66.41 65.62 1beg h THR 77 Cb 0.92 2.14 0.02 0.00 -1.74 0.00 0.00 68.15 69.49 1beg h THR 77 CO 0.09 0.33 -1.16 0.77 0.37 0.00 0.00 175.52 175.92 1beg h SER 78 N -0.70 0.75 0.00 4.18 4.64 -1.85 -3.49 113.55 117.09 1beg h SER 78 Ca -0.01 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.64 1beg h SER 78 Cb 0.59 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1beg h SER 78 CO 0.01 1.49 0.00 0.61 -0.87 0.00 0.00 176.83 178.07 1beg n GLY 79 N 1.26 3.25 3.83 -0.77 0.00 -0.68 -4.92 105.19 107.17 1beg n GLY 79 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 3.31 -0.02 0.99 0.20 -1.26 -4.75 118.68 117.14 1beg s LEU 80 Ca 0.00 1.62 -0.00 0.00 0.69 0.00 0.00 54.13 56.43 1beg s LEU 80 Cb 0.00 -4.50 -0.04 0.00 -0.43 0.00 0.00 46.19 41.22 1beg s LEU 80 CO 0.00 -1.14 0.04 -0.69 -0.29 0.00 0.00 176.35 174.26 1beg s VAL 81 N -2.88 4.45 -0.18 1.68 1.01 -1.26 -1.65 120.40 121.57 1beg s VAL 81 Ca 0.59 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1beg s VAL 81 Cb -0.13 -2.98 0.09 0.00 0.00 0.00 0.00 36.38 33.36 1beg s VAL 81 CO 0.47 0.42 0.23 -0.22 0.00 0.00 0.00 175.10 176.01 1beg s LEU 82 N -1.46 -0.16 0.04 3.92 2.96 -0.68 -4.95 118.68 118.33 1beg s LEU 82 Ca 0.19 -0.01 0.18 0.00 -0.22 0.00 0.00 54.13 54.28 1beg s LEU 82 Cb -0.12 0.46 0.77 0.00 0.50 0.00 0.00 46.19 47.80 1beg s LEU 82 CO 0.10 -0.30 1.58 -0.46 -1.32 0.00 0.00 176.35 175.94 1beg n ASN 83 N 5.33 0.12 0.00 3.68 6.94 -1.26 -1.15 115.26 128.91 1beg n ASN 83 Ca -0.05 0.53 0.00 0.00 -0.02 0.00 0.00 54.58 55.03 1beg n ASN 83 Cb 0.50 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 1beg n ASN 83 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1beg n VAL 84 N -1.63 0.00 0.42 3.53 0.31 -1.26 -4.28 118.33 115.42 1beg n VAL 84 Ca 0.04 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.19 1beg n VAL 84 Cb 0.21 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.06 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 -1.11 -0.31 3.52 5.03 -1.84 -2.19 116.97 120.08 1beg h TYR 85 Ca 0.00 -0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.32 1beg h TYR 85 Cb 0.00 0.38 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 1beg h TYR 85 CO 0.00 -0.65 0.21 0.77 -1.32 0.00 0.00 178.16 177.17 1beg h SER 86 N -1.10 0.26 0.57 -2.11 0.02 -1.96 -2.91 113.55 106.31 1beg h SER 86 Ca -0.11 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1beg h SER 86 Cb 0.86 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1beg h SER 86 CO 0.14 0.18 -0.31 0.22 -1.14 0.00 0.00 176.83 175.93 1beg h TYR 87 N 0.30 -0.80 0.20 3.45 3.20 -1.86 0.26 116.97 121.71 1beg h TYR 87 Ca 0.13 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.99 1beg h TYR 87 Cb 0.13 0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 1beg h TYR 87 CO -0.00 -0.48 -0.44 0.00 -1.64 0.00 0.00 178.16 175.60 1beg h ALA 88 N -0.41 -0.82 0.00 1.82 0.00 -1.20 -0.82 119.26 117.82 1beg h ALA 88 Ca -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1beg h ALA 88 Cb 0.64 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1beg h ALA 88 CO 0.10 -1.02 -0.12 -0.91 0.00 0.00 0.00 179.25 177.30 1beg h ASN 89 N -0.72 0.00 0.04 0.00 -0.26 -1.60 -3.32 115.58 109.72 1beg h ASN 89 Ca 0.00 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.68 1beg h ASN 89 Cb 0.71 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.98 1beg h ASN 89 CO -0.20 0.12 -0.29 1.23 -1.06 0.00 0.00 177.43 177.23 1beg h GLY 90 N 2.73 0.14 -0.20 2.83 0.00 -0.19 -3.32 103.07 105.05 1beg h GLY 90 Ca -0.00 -0.33 0.09 0.00 0.00 0.00 0.00 47.33 47.10 1beg h GLY 90 CO 0.02 0.29 -0.27 -2.75 0.00 0.00 0.00 176.54 173.82 1beg h PHE 91 N -0.71 -0.73 0.39 5.60 3.04 -1.25 -1.75 116.94 121.53 1beg h PHE 91 Ca -0.05 0.06 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 1beg h PHE 91 Cb 1.19 0.39 -0.01 0.00 2.56 0.00 0.00 35.95 40.08 1beg h PHE 91 CO 0.24 -0.34 -0.28 0.77 -2.02 0.00 0.00 178.31 176.67 1beg h SER 92 N -0.17 -0.72 -0.07 0.41 0.02 -1.73 -0.10 113.55 111.19 1beg h SER 92 Ca 0.21 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.25 1beg h SER 92 Cb 0.51 0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.24 1beg h SER 92 CO -0.58 -0.43 -0.15 -1.13 -1.14 0.00 0.00 176.83 173.41 1beg h ASN 93 N -0.66 -0.44 0.73 3.07 -1.24 -1.61 -0.97 115.58 114.45 1beg h ASN 93 Ca -0.04 0.08 -0.06 0.00 0.71 0.00 0.00 56.30 56.99 1beg h ASN 93 Cb 0.56 0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.81 1beg h ASN 93 CO 0.01 -0.19 -0.30 0.07 -1.29 0.00 0.00 177.43 175.73 1beg h LYS 94 N -0.21 0.00 -0.21 6.67 5.09 -1.34 -2.63 116.57 123.95 1beg h LYS 94 Ca 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.75 1beg h LYS 94 Cb 0.31 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.63 1beg h LYS 94 CO -0.20 0.30 -0.13 0.00 -2.09 0.00 0.00 179.45 177.34 1beg h SER 96 N 0.16 0.53 -0.22 0.00 0.87 -1.08 -2.18 113.55 111.64 1beg h SER 96 Ca 0.04 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 1beg h SER 96 Cb 0.63 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1beg h SER 96 CO 0.04 0.38 -0.10 -1.28 -0.53 0.00 0.00 176.83 175.34 1beg h SER 97 N 0.63 0.57 0.00 6.23 0.87 -1.33 -3.52 113.55 117.01 1beg h SER 97 Ca 0.17 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1beg h SER 97 Cb -0.07 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1beg h SER 97 CO -0.04 0.71 0.00 0.18 -0.53 0.00 0.00 176.83 177.15