#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 -1.58 2.41 0.00 -0.96 -4.75 120.51 115.62 1beg n ALA 2 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1beg n ALA 2 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.33 0.10 0.00 0.00 2.01 -1.26 -4.74 115.64 110.42 1beg s THR 4 Ca 0.64 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.58 1beg s THR 4 Cb -0.55 -0.10 0.00 0.00 0.01 0.00 0.00 72.50 71.86 1beg s THR 4 CO 0.56 0.02 0.00 0.00 -0.69 0.00 0.00 174.62 174.52 1beg n ALA 5 N 3.04 0.00 0.02 7.40 0.00 -1.26 -2.09 120.51 127.61 1beg n ALA 5 Ca -0.12 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.39 1beg n ALA 5 Cb 0.60 0.00 0.48 0.00 0.00 0.00 0.00 19.45 20.53 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 1.03 0.52 0.00 1.35 -1.98 -2.48 112.91 111.34 1beg h THR 6 Ca 0.00 -0.15 -0.03 0.00 -0.55 0.00 0.00 66.41 65.69 1beg h THR 6 Cb 0.00 0.57 0.01 0.00 -1.73 0.00 0.00 68.15 66.99 1beg h THR 6 CO 0.00 0.08 -0.25 1.56 -0.25 0.00 0.00 175.52 176.66 1beg h GLN 7 N 0.43 -0.67 -0.89 4.72 4.20 -1.82 -2.33 115.11 118.75 1beg h GLN 7 Ca 0.16 0.05 0.08 0.00 0.06 0.00 0.00 58.65 59.00 1beg h GLN 7 Cb 0.12 0.15 -0.07 0.00 0.30 0.00 0.00 27.48 27.98 1beg h GLN 7 CO -0.04 -0.45 0.54 0.37 -0.67 0.00 0.00 178.83 178.59 1beg h GLN 8 N -0.85 0.91 -0.60 1.46 4.15 -1.71 -1.63 115.11 116.84 1beg h GLN 8 Ca -0.07 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.24 1beg h GLN 8 Cb 0.53 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 1beg h GLN 8 CO 0.12 0.60 0.17 1.79 -1.93 0.00 0.00 178.83 179.58 1beg h THR 9 N 0.94 1.23 0.20 2.39 1.35 -1.51 -0.26 112.91 117.26 1beg h THR 9 Ca 0.41 -0.83 -0.01 0.00 -0.55 0.00 0.00 66.41 65.43 1beg h THR 9 Cb 0.29 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1beg h THR 9 CO -0.21 0.32 -0.10 0.00 -0.25 0.00 0.00 175.52 175.28 1beg h ALA 10 N 1.29 -0.27 -0.72 6.62 0.00 -0.73 0.28 119.26 125.73 1beg h ALA 10 Ca 0.20 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1beg h ALA 10 Cb 0.29 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1beg h ALA 10 CO -0.00 -0.61 0.41 0.00 0.00 0.00 0.00 179.25 179.04 1beg h ALA 11 N 0.42 0.99 -0.89 0.00 0.00 -1.12 -2.75 119.26 115.92 1beg h ALA 11 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1beg h ALA 11 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1beg h ALA 11 CO 0.05 0.07 0.00 0.66 0.00 0.00 0.00 179.25 180.03 1beg n TYR 12 N -4.77 0.00 -0.16 0.00 4.02 -0.13 -2.28 117.16 113.84 1beg n TYR 12 Ca 0.10 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.01 1beg n TYR 12 Cb 0.20 -0.35 0.05 0.00 -0.02 0.00 0.00 39.34 39.22 1beg n TYR 12 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1beg n LYS 13 N -1.56 -0.05 0.10 -0.72 4.81 0.07 0.09 118.16 120.89 1beg n LYS 13 Ca 0.00 0.68 -0.04 0.00 -0.87 0.00 0.00 58.31 58.08 1beg n LYS 13 Cb 0.00 -1.01 -0.02 0.00 0.02 0.00 0.00 35.03 34.02 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 0.65 3.15 2.02 -1.52 -2.41 112.91 114.80 1beg h THR 14 Ca 0.19 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.33 1beg h THR 14 Cb 0.30 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1beg h THR 14 CO -0.44 0.00 -0.40 0.25 0.37 0.00 0.00 175.52 175.29 1beg h LEU 15 N -0.26 -1.01 -0.89 2.58 5.85 -0.61 -2.53 115.31 118.44 1beg h LEU 15 Ca -0.02 0.06 0.17 0.00 0.84 0.00 0.00 57.88 58.92 1beg h LEU 15 Cb 0.19 0.29 -0.17 0.00 0.37 0.00 0.00 40.66 41.35 1beg h LEU 15 CO 0.04 -0.62 -0.25 0.58 -0.34 0.00 0.00 178.44 177.85 1beg h VAL 16 N -0.99 0.10 -0.15 1.05 2.07 -0.49 0.38 116.25 118.23 1beg h VAL 16 Ca -0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 1beg h VAL 16 Cb 0.79 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1beg h VAL 16 CO 0.09 0.00 -0.26 0.28 0.02 0.00 0.00 177.57 177.70 1beg h SER 17 N -0.01 0.27 -0.69 0.57 0.02 -1.41 -3.27 113.55 109.03 1beg h SER 17 Ca 0.41 -0.08 -0.65 0.00 -0.84 0.00 0.00 61.79 60.63 1beg h SER 17 Cb 0.64 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 63.03 1beg h SER 17 CO -0.91 0.53 2.41 0.00 -1.14 0.00 0.00 176.83 177.72 1beg n ILE 18 N -4.15 4.56 0.11 3.27 0.00 0.13 -4.29 119.36 119.00 1beg n ILE 18 Ca -0.01 -3.40 0.00 0.00 0.00 0.00 0.00 62.75 59.34 1beg n ILE 18 Cb 0.37 -2.18 0.00 0.00 0.00 0.00 0.00 39.64 37.83 1beg n ILE 18 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1beg n LEU 19 N 2.26 0.19 -2.96 9.51 4.77 -1.23 -4.74 117.00 124.80 1beg n LEU 19 Ca 0.65 0.36 -0.35 0.00 -0.03 0.00 0.00 56.01 56.64 1beg n LEU 19 Cb 0.33 0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1beg n LEU 19 CO 0.65 -0.75 1.70 -1.20 -1.33 0.00 0.00 177.39 176.46 1beg n SER 20 N -3.43 7.20 -4.29 -1.43 7.64 -1.26 -4.62 113.62 113.43 1beg n SER 20 Ca 0.00 -3.45 -0.15 0.00 1.01 0.00 0.00 58.87 56.27 1beg n SER 20 Cb 0.01 -1.20 -0.10 0.00 -1.01 0.00 0.00 64.21 61.91 1beg n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1beg s ASP 21 N -0.32 1.56 -0.01 6.43 -1.08 -1.26 -5.05 116.67 116.94 1beg s ASP 21 Ca 0.53 -1.18 0.03 0.00 -0.52 0.00 0.00 52.55 51.41 1beg s ASP 21 Cb 0.34 0.06 0.11 0.00 -1.46 0.00 0.00 42.92 41.96 1beg s ASP 21 CO -0.25 -0.52 1.01 0.00 0.52 0.00 0.00 175.17 175.93 1beg n ALA 22 N -0.33 2.53 -0.08 3.66 0.00 -1.26 -3.28 120.51 121.75 1beg n ALA 22 Ca -0.06 -0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.05 1beg n ALA 22 Cb 0.63 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.10 1.85 -0.03 0.00 2.88 -1.26 -3.67 113.62 113.28 1beg n SER 23 Ca 0.04 0.31 -0.11 0.00 -1.33 0.00 0.00 58.87 57.78 1beg n SER 23 Cb 0.16 -0.70 -0.05 0.00 -0.75 0.00 0.00 64.21 62.87 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 -0.90 0.22 0.21 0.66 3.57 -1.85 -0.01 116.94 118.83 1beg h PHE 24 Ca -0.06 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1beg h PHE 24 Cb 0.97 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1beg h PHE 24 CO -0.36 0.24 -0.17 -0.97 -2.23 0.00 0.00 178.31 174.82 1beg h ASN 25 N 0.14 -0.45 -0.97 0.41 -1.24 -1.81 -1.86 115.58 109.81 1beg h ASN 25 Ca 0.05 0.04 0.09 0.00 0.71 0.00 0.00 56.30 57.19 1beg h ASN 25 Cb 0.10 0.15 -0.07 0.00 0.73 0.00 0.00 38.32 39.22 1beg h ASN 25 CO -0.01 -0.26 0.62 -0.61 -1.29 0.00 0.00 177.43 175.88 1beg h GLN 26 N -0.39 1.02 0.58 6.67 5.75 -1.59 -2.04 115.11 125.11 1beg h GLN 26 Ca -0.01 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 1beg h GLN 26 Cb 0.36 -0.23 0.01 0.00 1.07 0.00 0.00 27.48 28.68 1beg h GLN 26 CO -0.02 0.68 -0.28 0.00 -2.65 0.00 0.00 178.83 176.56 1beg h SER 28 N -1.05 0.41 -0.30 0.00 0.02 -1.24 -2.56 113.55 108.83 1beg h SER 28 Ca -0.08 0.14 0.06 0.00 -0.84 0.00 0.00 61.79 61.07 1beg h SER 28 Cb 0.60 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 1beg h SER 28 CO 0.13 0.07 -0.06 0.74 -1.14 0.00 0.00 176.83 176.57 1beg h THR 29 N 0.47 0.72 -0.25 -2.27 2.02 -1.44 -3.02 112.91 109.14 1beg h THR 29 Ca 0.54 -0.01 -0.19 0.00 0.77 0.00 0.00 66.41 67.52 1beg h THR 29 Cb 0.97 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1beg h THR 29 CO -0.48 0.00 -0.59 0.44 0.37 0.00 0.00 175.52 175.26 1beg h ASP 30 N 0.02 0.95 0.00 4.18 5.19 -1.54 -3.46 116.42 121.76 1beg h ASP 30 Ca 0.15 -0.56 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1beg h ASP 30 Cb 0.22 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.45 1beg h ASP 30 CO -0.30 1.34 0.00 -1.20 -3.12 0.00 0.00 179.24 175.96 1beg n SER 31 N -4.01 0.00 0.00 6.45 7.64 -1.01 -5.07 113.62 117.61 1beg n SER 31 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1beg n SER 31 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1beg n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1beg n GLY 32 N 0.00 0.24 1.49 0.23 0.00 -1.13 -4.14 105.19 101.87 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 -0.51 -4.07 -2.70 1.61 9.36 -1.26 -4.71 117.16 114.87 1beg n TYR 33 Ca 0.00 2.20 -0.42 0.00 3.32 0.00 0.00 57.90 63.00 1beg n TYR 33 Cb 0.02 -3.42 -0.02 0.00 -0.63 0.00 0.00 39.34 35.28 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 -4.83 6.60 0.03 2.98 1.04 -1.26 -4.84 113.70 113.41 1beg s SER 34 Ca 0.00 -1.80 -0.19 0.00 0.48 0.00 0.00 55.95 54.44 1beg s SER 34 Cb 0.00 -2.51 -0.20 0.00 0.10 0.00 0.00 66.02 63.41 1beg s SER 34 CO 0.00 -1.30 1.18 -0.03 0.98 0.00 0.00 173.24 174.07 1beg h MET 35 N 9.18 0.46 0.00 4.02 4.05 -1.86 -2.38 114.93 128.41 1beg h MET 35 Ca 0.21 -0.42 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 1beg h MET 35 Cb 1.00 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.90 1beg h MET 35 CO 1.32 1.06 0.00 1.47 0.23 0.00 0.00 176.91 180.98 1beg n LEU 36 N -4.24 0.23 -0.00 3.39 -0.00 -1.26 -4.25 117.00 110.87 1beg n LEU 36 Ca -0.09 0.55 -0.01 0.00 -0.00 0.00 0.00 56.01 56.46 1beg n LEU 36 Cb 0.62 -0.50 -0.00 0.00 -0.00 0.00 0.00 43.42 43.53 1beg n LEU 36 CO 0.46 -0.28 -0.52 0.41 -0.00 0.00 0.00 177.39 177.47 1beg n THR 37 N -1.74 0.03 -2.09 1.47 -1.04 -1.24 -4.67 114.28 104.99 1beg n THR 37 Ca 0.04 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.72 1beg n THR 37 Cb 0.23 -1.39 -0.00 0.00 -1.82 0.00 0.00 70.33 67.36 1beg n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1beg s ALA 38 N -2.01 2.92 -0.12 2.41 0.00 -0.90 -3.91 121.76 120.15 1beg s ALA 38 Ca -0.01 0.19 0.10 0.00 0.00 0.00 0.00 51.96 52.24 1beg s ALA 38 Cb 0.00 -3.15 -0.15 0.00 0.00 0.00 0.00 23.12 19.82 1beg s ALA 38 CO 0.01 -0.62 0.02 0.36 0.00 0.00 0.00 175.76 175.53 1beg n LYS 39 N -2.13 1.83 -3.08 0.00 0.00 -1.26 -4.72 118.16 108.80 1beg n LYS 39 Ca 0.07 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.98 1beg n LYS 39 Cb 0.54 -1.31 -0.06 0.00 -0.00 0.00 0.00 35.03 34.19 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 -2.30 3.61 0.86 0.58 0.00 -1.26 -4.98 121.76 118.27 1beg s ALA 40 Ca -0.08 -0.36 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 1beg s ALA 40 Cb 0.04 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1beg s ALA 40 CO 0.49 -0.79 0.43 1.28 0.00 0.00 0.00 175.76 177.17 1beg n LEU 41 N 5.66 0.11 -4.80 0.00 4.77 -1.26 -4.99 117.00 116.49 1beg n LEU 41 Ca 0.00 0.43 -0.32 0.00 -0.03 0.00 0.00 56.01 56.09 1beg n LEU 41 Cb 0.49 -1.20 0.04 0.00 -2.33 0.00 0.00 43.42 40.41 1beg n LEU 41 CO 0.44 -3.47 0.71 -2.16 -1.33 0.00 0.00 177.39 171.59 1beg s PRO 42 N -3.26 3.00 0.42 3.23 0.04 -1.26 -5.05 135.00 132.12 1beg s PRO 42 Ca 0.60 1.14 -0.22 0.00 0.04 0.00 0.00 61.00 62.56 1beg s PRO 42 Cb -0.26 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.18 1beg s PRO 42 CO 0.64 -1.06 0.99 0.99 0.04 0.00 0.00 177.00 178.60 1beg s THR 43 N -2.69 4.10 0.37 1.26 2.01 -1.26 -4.86 115.64 114.56 1beg s THR 43 Ca 0.62 1.42 0.23 0.00 0.31 0.00 0.00 61.69 64.26 1beg s THR 43 Cb -0.16 -3.63 0.37 0.00 0.01 0.00 0.00 72.50 69.08 1beg s THR 43 CO 0.46 -0.18 1.49 1.07 -0.69 0.00 0.00 174.62 176.77 1beg n THR 44 N -0.46 -0.36 0.00 -0.82 5.66 -1.26 -1.04 114.28 116.01 1beg n THR 44 Ca 0.07 1.87 -0.09 0.00 -3.05 0.00 0.00 64.05 62.84 1beg n THR 44 Cb 0.52 -3.04 -0.03 0.00 -1.55 0.00 0.00 70.33 66.23 1beg n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1beg h ALA 45 N 1.80 -0.03 -0.16 1.79 0.00 -2.01 -1.84 119.26 118.81 1beg h ALA 45 Ca 0.81 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.67 1beg h ALA 45 Cb 2.27 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 20.28 1beg h ALA 45 CO -0.66 -0.57 -0.32 1.96 0.00 0.00 0.00 179.25 179.67 1beg h GLN 46 N -0.14 0.32 0.52 0.00 4.20 -1.46 -2.81 115.11 115.73 1beg h GLN 46 Ca 0.08 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1beg h GLN 46 Cb 0.26 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1beg h GLN 46 CO -0.20 0.61 -0.33 1.88 -0.67 0.00 0.00 178.83 180.11 1beg h TYR 47 N 0.28 -0.88 -0.66 2.96 0.05 -1.09 0.28 116.97 117.91 1beg h TYR 47 Ca 0.04 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1beg h TYR 47 Cb 0.70 0.32 -0.03 0.00 1.01 0.00 0.00 36.73 38.73 1beg h TYR 47 CO 0.02 -0.50 0.42 1.57 -1.05 0.00 0.00 178.16 178.61 1beg h LYS 48 N -0.82 0.87 -0.30 4.88 2.10 -1.42 -1.84 116.57 120.05 1beg h LYS 48 Ca -0.06 -0.06 0.04 0.00 -2.00 0.00 0.00 60.65 58.56 1beg h LYS 48 Cb 0.67 -0.19 -0.03 0.00 -0.90 0.00 0.00 32.23 31.78 1beg h LYS 48 CO 0.05 0.60 0.09 -0.07 -2.00 0.00 0.00 179.45 178.12 1beg h LEU 49 N 0.89 0.08 -0.30 7.07 3.38 -1.29 -2.66 115.31 122.49 1beg h LEU 49 Ca 0.24 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.25 1beg h LEU 49 Cb -0.07 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1beg h LEU 49 CO -0.05 0.08 0.19 0.24 0.09 0.00 0.00 178.44 178.99 1beg h MET 50 N 0.22 0.37 -1.00 1.13 2.86 -0.69 -2.78 114.93 115.04 1beg h MET 50 Ca 0.14 -0.02 0.26 0.00 -2.06 0.00 0.00 59.70 58.02 1beg h MET 50 Cb 0.12 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.63 1beg h MET 50 CO -0.15 0.25 0.68 0.00 1.06 0.00 0.00 176.91 178.74 1beg n ALA 52 N -2.59 4.91 0.69 0.00 0.00 -1.07 -4.76 120.51 117.69 1beg n ALA 52 Ca 0.22 -3.81 0.08 0.00 0.00 0.00 0.00 53.44 49.93 1beg n ALA 52 Cb 0.91 -0.38 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.67 1.59 0.00 0.00 2.88 -0.85 -5.02 113.62 111.55 1beg n SER 53 Ca 0.42 -1.29 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 1beg n SER 53 Cb 0.92 0.47 0.00 0.00 -0.75 0.00 0.00 64.21 64.85 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 -0.13 0.00 -0.22 2.46 -1.04 -1.26 -4.30 114.28 109.80 1beg n THR 54 Ca 0.06 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.08 1beg n THR 54 Cb 0.33 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 68.96 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 -0.15 0.84 0.08 2.41 0.00 -1.90 -2.39 119.26 118.16 1beg h ALA 55 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1beg h ALA 55 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1beg h ALA 55 CO 0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 179.25 178.90 1beg h ASN 57 N -0.31 0.72 -0.04 0.00 -0.73 -1.69 -2.10 115.58 111.43 1beg h ASN 57 Ca 0.03 -0.01 0.01 0.00 1.87 0.00 0.00 56.30 58.19 1beg h ASN 57 Cb 0.33 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 1beg h ASN 57 CO -0.09 0.51 0.00 0.74 -0.37 0.00 0.00 177.43 178.21 1beg h THR 58 N 0.84 0.97 0.44 -3.57 2.02 -0.98 -0.80 112.91 111.83 1beg h THR 58 Ca 0.26 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1beg h THR 58 Cb -0.00 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1beg h THR 58 CO -0.07 0.00 -0.45 0.24 0.37 0.00 0.00 175.52 175.62 1beg h MET 59 N 0.02 -0.87 0.58 6.66 2.86 -0.96 -2.00 114.93 121.22 1beg h MET 59 Ca 0.02 0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1beg h MET 59 Cb 0.02 0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1beg h MET 59 CO -0.03 -0.58 -0.31 0.82 1.06 0.00 0.00 176.91 177.87 1beg h ILE 60 N -0.90 0.37 -1.00 -1.22 1.08 -1.42 -2.42 117.51 111.99 1beg h ILE 60 Ca -0.04 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.60 1beg h ILE 60 Cb 0.80 0.37 -0.10 0.00 -3.07 0.00 0.00 36.82 34.82 1beg h ILE 60 CO -0.07 0.00 0.61 0.11 -0.69 0.00 0.00 178.15 178.11 1beg h LYS 61 N -0.82 0.79 -0.16 2.37 1.57 -1.19 -0.68 116.57 118.46 1beg h LYS 61 Ca -0.08 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1beg h LYS 61 Cb 0.64 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1beg h LYS 61 CO 0.11 0.52 0.10 -0.22 -0.57 0.00 0.00 179.45 179.39 1beg h LYS 62 N 0.81 0.21 -0.43 3.15 3.64 -1.13 -0.94 116.57 121.88 1beg h LYS 62 Ca 0.56 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.90 1beg h LYS 62 Cb 0.81 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1beg h LYS 62 CO -0.36 0.17 0.16 0.82 -2.27 0.00 0.00 179.45 177.97 1beg h ILE 63 N 0.19 1.21 0.00 2.00 2.04 -0.72 -2.53 117.51 119.70 1beg h ILE 63 Ca 0.06 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.27 1beg h ILE 63 Cb 0.02 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1beg h ILE 63 CO -0.01 0.24 -0.15 0.58 0.00 0.00 0.00 178.15 178.81 1beg h VAL 64 N 0.56 0.64 -0.88 1.67 2.07 -0.96 -1.94 116.25 117.41 1beg h VAL 64 Ca 0.14 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.75 1beg h VAL 64 Cb 0.22 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 1beg h VAL 64 CO -0.01 0.00 0.57 0.71 0.02 0.00 0.00 177.57 178.86 1beg h THR 65 N -0.25 0.99 -0.07 2.57 1.35 -1.09 -1.55 112.91 114.87 1beg h THR 65 Ca 0.05 -0.31 -0.10 0.00 -0.55 0.00 0.00 66.41 65.50 1beg h THR 65 Cb 0.31 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.73 1beg h THR 65 CO -0.14 0.16 -0.41 -0.07 -0.25 0.00 0.00 175.52 174.81 1beg h LEU 66 N 0.90 0.16 -2.72 3.87 3.38 -0.93 -3.49 115.31 116.48 1beg h LEU 66 Ca 0.40 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.22 1beg h LEU 66 Cb 0.35 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1beg h LEU 66 CO -0.16 0.56 -0.90 -0.46 0.09 0.00 0.00 178.44 177.57 1beg n ASN 67 N -4.03 -7.21 -4.79 -0.43 6.94 -0.58 -5.03 115.26 100.13 1beg n ASN 67 Ca -0.02 0.64 -0.29 0.00 -0.02 0.00 0.00 54.58 54.89 1beg n ASN 67 Cb 0.46 -3.86 0.13 0.00 -2.36 0.00 0.00 39.78 34.16 1beg n ASN 67 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1beg s PRO 68 N -1.97 1.27 0.44 -0.53 0.04 -1.26 -5.05 135.00 127.95 1beg s PRO 68 Ca 0.15 0.34 -0.22 0.00 0.04 0.00 0.00 61.00 61.32 1beg s PRO 68 Cb -0.03 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 1beg s PRO 68 CO 0.64 -2.12 1.04 -1.25 0.04 0.00 0.00 177.00 175.36 1beg s PRO 69 N -5.26 4.00 -0.74 0.56 0.04 -1.26 -4.90 135.00 127.44 1beg s PRO 69 Ca 0.63 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.84 1beg s PRO 69 Cb -0.15 -2.31 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1beg s PRO 69 CO 0.53 -0.27 1.77 1.21 0.04 0.00 0.00 177.00 180.28 1beg s ASN 70 N -1.79 5.46 -0.27 6.66 3.84 -1.26 -4.51 114.94 123.07 1beg s ASN 70 Ca 0.62 -0.18 -0.28 0.00 0.21 0.00 0.00 52.86 53.23 1beg s ASN 70 Cb -0.19 -2.54 0.18 0.00 -0.55 0.00 0.00 41.25 38.15 1beg s ASN 70 CO 0.23 -2.33 1.33 0.00 -2.79 0.00 0.00 177.10 173.54 1beg s ASP 72 N -0.81 6.89 -0.22 0.00 1.11 -1.26 -4.33 116.67 118.06 1beg s ASP 72 Ca 0.07 2.15 -0.07 0.00 0.18 0.00 0.00 52.55 54.89 1beg s ASP 72 Cb -0.02 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 1beg s ASP 72 CO -0.08 -0.64 0.06 -0.22 1.18 0.00 0.00 175.17 175.46 1beg s LEU 73 N 1.71 3.53 0.04 1.23 2.96 -0.15 -3.05 118.68 124.94 1beg s LEU 73 Ca 0.63 -0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 54.31 1beg s LEU 73 Cb -0.33 -1.92 -0.06 0.00 0.50 0.00 0.00 46.19 44.39 1beg s LEU 73 CO 0.28 0.05 0.39 -0.89 -1.32 0.00 0.00 176.35 174.85 1beg s THR 74 N 1.13 5.10 -0.26 3.68 2.01 -1.26 -1.22 115.64 124.81 1beg s THR 74 Ca 0.04 0.54 -0.03 0.00 0.31 0.00 0.00 61.69 62.55 1beg s THR 74 Cb -0.14 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.74 1beg s THR 74 CO 0.03 0.39 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.65 1beg s VAL 75 N -1.28 3.22 0.16 3.82 1.01 -0.84 -4.99 120.40 121.50 1beg s VAL 75 Ca 0.29 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1beg s VAL 75 Cb -0.15 -2.65 -0.15 0.00 0.00 0.00 0.00 36.38 33.43 1beg s VAL 75 CO 0.16 0.15 1.37 1.55 0.00 0.00 0.00 175.10 178.33 1beg h PRO 76 N 8.08 0.18 0.00 2.72 0.13 -1.98 -2.65 132.00 138.48 1beg h PRO 76 Ca -0.32 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1beg h PRO 76 Cb 1.11 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1beg h PRO 76 CO 0.58 0.95 0.00 -2.37 -0.23 0.00 0.00 178.00 176.93 1beg n THR 77 N -3.64 0.71 -0.08 1.56 5.66 -1.26 -4.03 114.28 113.19 1beg n THR 77 Ca -0.03 -0.01 -0.13 0.00 -3.05 0.00 0.00 64.05 60.82 1beg n THR 77 Cb 0.81 -0.88 -0.06 0.00 -1.55 0.00 0.00 70.33 68.65 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 -2.23 2.12 -0.21 1.09 3.41 -1.23 -4.83 113.62 111.74 1beg n SER 78 Ca 0.04 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1beg n SER 78 Cb 0.32 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 2.46 0.64 3.62 5.00 0.00 -1.00 -4.64 105.19 111.27 1beg n GLY 79 Ca -0.29 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.43 -0.16 -0.08 0.99 2.96 -1.22 -5.01 118.68 115.72 1beg s LEU 80 Ca 0.00 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1beg s LEU 80 Cb 0.00 1.68 -0.03 0.00 0.50 0.00 0.00 46.19 48.33 1beg s LEU 80 CO 0.00 -0.48 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.85 1beg s VAL 81 N -2.75 4.13 -0.02 1.68 1.01 -1.26 -1.99 120.40 121.21 1beg s VAL 81 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1beg s VAL 81 Cb 0.01 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1beg s VAL 81 CO -0.04 0.60 0.02 -0.22 0.00 0.00 0.00 175.10 175.46 1beg s LEU 82 N -0.79 1.34 -0.75 3.92 2.96 -0.36 -4.99 118.68 120.01 1beg s LEU 82 Ca 0.12 0.02 -0.23 0.00 -0.22 0.00 0.00 54.13 53.82 1beg s LEU 82 Cb -0.11 -0.08 0.07 0.00 0.50 0.00 0.00 46.19 46.57 1beg s LEU 82 CO 0.02 -0.09 1.12 0.21 -1.32 0.00 0.00 176.35 176.29 1beg s ASN 83 N 0.77 6.27 0.24 3.68 3.84 -1.26 -0.98 114.94 127.49 1beg s ASN 83 Ca -0.07 -1.05 0.04 0.00 0.21 0.00 0.00 52.86 51.99 1beg s ASN 83 Cb -0.09 -2.47 0.28 0.00 -0.55 0.00 0.00 41.25 38.42 1beg s ASN 83 CO -0.02 -1.50 1.59 0.58 -2.79 0.00 0.00 177.10 174.96 1beg h VAL 84 N 6.05 1.35 0.10 -5.21 2.07 -1.90 -3.08 116.25 115.64 1beg h VAL 84 Ca -0.17 -1.81 0.01 0.00 0.82 0.00 0.00 66.70 65.54 1beg h VAL 84 Cb 1.05 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 1beg h VAL 84 CO 1.22 0.54 -0.38 0.22 0.02 0.00 0.00 177.57 179.19 1beg h TYR 85 N 0.24 -1.11 -0.31 1.57 3.20 -1.79 -2.79 116.97 115.98 1beg h TYR 85 Ca 0.01 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 1beg h TYR 85 Cb 1.02 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 39.74 1beg h TYR 85 CO 0.02 -0.43 -0.08 1.03 -1.64 0.00 0.00 178.16 177.06 1beg h SER 86 N -0.55 0.49 -0.01 -2.11 0.87 -1.94 -3.10 113.55 107.20 1beg h SER 86 Ca -0.01 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1beg h SER 86 Cb 0.55 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1beg h SER 86 CO -0.20 0.62 -0.04 0.22 -0.53 0.00 0.00 176.83 176.90 1beg h TYR 87 N 0.48 -0.11 0.53 2.24 3.20 -1.39 -0.93 116.97 120.98 1beg h TYR 87 Ca 0.09 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1beg h TYR 87 Cb 0.44 0.05 0.01 0.00 1.54 0.00 0.00 36.73 38.77 1beg h TYR 87 CO 0.01 -0.04 -0.25 0.00 -1.64 0.00 0.00 178.16 176.24 1beg h ALA 88 N -1.34 -0.71 -1.21 1.82 0.00 -1.65 -0.28 119.26 115.90 1beg h ALA 88 Ca 0.00 -0.17 0.35 0.00 0.00 0.00 0.00 54.91 55.09 1beg h ALA 88 Cb 0.05 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1beg h ALA 88 CO -0.03 -0.85 0.88 -0.97 0.00 0.00 0.00 179.25 178.27 1beg h ASN 89 N -0.80 0.00 0.00 0.00 -0.73 -1.55 -2.85 115.58 109.65 1beg h ASN 89 Ca -0.07 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.10 1beg h ASN 89 Cb 0.58 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.17 1beg h ASN 89 CO 0.12 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.79 1beg n GLY 90 N -1.78 -0.35 0.42 1.57 0.00 -0.36 -4.88 105.19 99.82 1beg n GLY 90 Ca 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.17 1beg n GLY 90 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1beg h PHE 91 N 0.00 -1.59 -0.47 1.61 3.57 -0.79 -1.41 116.94 117.85 1beg h PHE 91 Ca 0.00 0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1beg h PHE 91 Cb 0.16 0.78 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 1beg h PHE 91 CO 0.00 -0.43 -0.03 0.77 -2.23 0.00 0.00 178.31 176.39 1beg h SER 92 N -0.22 0.84 -0.28 0.41 0.02 -1.88 -2.09 113.55 110.36 1beg h SER 92 Ca 0.14 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1beg h SER 92 Cb 0.54 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1beg h SER 92 CO -0.74 0.96 0.15 -1.13 -1.14 0.00 0.00 176.83 174.93 1beg h ASN 93 N 0.70 0.22 -0.20 3.07 -1.24 -1.79 0.90 115.58 117.24 1beg h ASN 93 Ca 0.13 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 1beg h ASN 93 Cb 0.54 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 1beg h ASN 93 CO 0.03 0.17 0.01 0.11 -1.29 0.00 0.00 177.43 176.46 1beg h LYS 94 N 0.30 0.35 -0.72 6.67 1.79 -1.29 -2.60 116.57 121.07 1beg h LYS 94 Ca 0.11 -0.10 0.08 0.00 -2.18 0.00 0.00 60.65 58.56 1beg h LYS 94 Cb 0.02 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.59 1beg h LYS 94 CO -0.07 0.53 0.48 0.00 -1.08 0.00 0.00 179.45 179.31 1beg h SER 96 N 0.67 -0.04 0.81 0.00 0.87 -0.61 -3.15 113.55 112.10 1beg h SER 96 Ca 0.33 -0.41 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 1beg h SER 96 Cb 0.39 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1beg h SER 96 CO -0.11 0.40 -0.14 -1.28 -0.53 0.00 0.00 176.83 175.16 1beg h SER 97 N -0.49 0.00 0.00 6.23 0.87 -1.12 -3.51 113.55 115.53 1beg h SER 97 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1beg h SER 97 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1beg h SER 97 CO 0.01 0.14 0.00 -0.11 -0.53 0.00 0.00 176.83 176.34