#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1beg h ALA 2 N 0.00 0.51 -2.65 2.41 0.00 -1.74 -3.47 119.26 114.33 1beg h ALA 2 Ca 0.00 -1.28 -0.52 0.00 0.00 0.00 0.00 54.91 53.10 1beg h ALA 2 Cb 0.00 0.40 0.03 0.00 0.00 0.00 0.00 17.79 18.21 1beg h ALA 2 CO 0.00 1.36 0.65 0.00 0.00 0.00 0.00 179.25 181.26 1beg s THR 4 N 0.30 -0.03 0.00 0.00 2.01 -1.26 -4.67 115.64 111.99 1beg s THR 4 Ca 0.58 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.68 1beg s THR 4 Cb -0.36 -0.11 0.00 0.00 0.01 0.00 0.00 72.50 72.05 1beg s THR 4 CO 0.36 0.04 0.00 0.00 -0.69 0.00 0.00 174.62 174.34 1beg n ALA 5 N 3.66 0.00 0.26 7.40 0.00 -1.26 -2.71 120.51 127.86 1beg n ALA 5 Ca -0.20 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.08 1beg n ALA 5 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 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 0.47 -0.94 0.00 1.35 -1.97 -0.05 112.91 111.77 1beg h THR 6 Ca 0.00 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.94 1beg h THR 6 Cb 0.00 0.47 -0.07 0.00 -1.73 0.00 0.00 68.15 66.82 1beg h THR 6 CO 0.00 0.00 0.59 1.56 -0.25 0.00 0.00 175.52 177.42 1beg h GLN 7 N -0.66 1.01 -0.31 4.72 4.20 -1.89 -0.45 115.11 121.73 1beg h GLN 7 Ca -0.05 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 1beg h GLN 7 Cb 0.53 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1beg h GLN 7 CO 0.06 0.67 -0.06 0.37 -0.67 0.00 0.00 178.83 179.20 1beg h GLN 8 N 1.04 0.59 0.00 1.46 4.15 -1.67 -2.60 115.11 118.08 1beg h GLN 8 Ca 0.42 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.61 1beg h GLN 8 Cb 0.24 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 1beg h GLN 8 CO -0.20 0.77 -0.07 1.79 -1.93 0.00 0.00 178.83 179.19 1beg h THR 9 N 0.36 0.22 -0.01 2.39 1.35 -0.36 -0.43 112.91 116.44 1beg h THR 9 Ca 0.08 -0.62 -0.02 0.00 -0.55 0.00 0.00 66.41 65.30 1beg h THR 9 Cb 0.54 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1beg h THR 9 CO 0.03 0.07 -0.07 0.00 -0.25 0.00 0.00 175.52 175.30 1beg h ALA 10 N 1.93 0.02 -0.41 6.62 0.00 -0.86 -0.36 119.26 126.19 1beg h ALA 10 Ca -0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1beg h ALA 10 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1beg h ALA 10 CO 0.01 -0.07 0.10 0.00 0.00 0.00 0.00 179.25 179.29 1beg h ALA 11 N 0.28 0.54 0.72 0.00 0.00 -1.32 -2.66 119.26 116.83 1beg h ALA 11 Ca -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1beg h ALA 11 Cb 0.79 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1beg h ALA 11 CO 0.01 0.22 -0.40 1.88 0.00 0.00 0.00 179.25 180.97 1beg h TYR 12 N 0.53 -1.04 -0.99 0.00 0.05 -1.13 -2.56 116.97 111.82 1beg h TYR 12 Ca 0.13 -0.02 0.33 0.00 0.05 0.00 0.00 58.73 59.22 1beg h TYR 12 Cb 0.31 0.36 -0.18 0.00 1.01 0.00 0.00 36.73 38.23 1beg h TYR 12 CO 0.02 -0.61 0.22 -0.22 -1.05 0.00 0.00 178.16 176.52 1beg h LYS 13 N -1.03 0.01 0.51 4.88 3.64 -1.01 0.23 116.57 123.80 1beg h LYS 13 Ca -0.10 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1beg h LYS 13 Cb 0.81 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1beg h LYS 13 CO 0.13 0.01 -0.24 1.15 -2.27 0.00 0.00 179.45 178.22 1beg h THR 14 N 0.01 0.00 -0.04 1.00 2.02 -1.24 -1.23 112.91 113.43 1beg h THR 14 Ca 0.69 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.82 1beg h THR 14 Cb 1.61 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 1beg h THR 14 CO -0.86 0.00 -0.29 0.25 0.37 0.00 0.00 175.52 174.98 1beg h LEU 15 N -0.77 -0.88 -0.14 2.58 5.85 -0.87 -2.54 115.31 118.54 1beg h LEU 15 Ca -0.07 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1beg h LEU 15 Cb 0.52 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 1beg h LEU 15 CO 0.11 -0.35 -0.08 -0.37 -0.34 0.00 0.00 178.44 177.41 1beg h VAL 16 N -0.42 0.74 -1.01 1.05 -1.51 -1.09 -0.86 116.25 113.15 1beg h VAL 16 Ca 0.07 0.00 0.26 0.00 -1.23 0.00 0.00 66.70 65.81 1beg h VAL 16 Cb 0.52 0.74 -0.07 0.00 -2.13 0.00 0.00 31.29 30.35 1beg h VAL 16 CO -0.28 0.00 0.68 0.28 -1.23 0.00 0.00 177.57 177.02 1beg h SER 17 N -0.08 0.31 0.00 4.19 0.02 -1.00 -3.38 113.55 113.61 1beg h SER 17 Ca 0.08 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1beg h SER 17 Cb 0.20 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1beg h SER 17 CO -0.19 0.08 0.00 -0.38 -1.14 0.00 0.00 176.83 175.20 1beg n ILE 18 N -4.48 0.00 0.00 3.27 5.41 -0.33 -4.72 119.36 118.51 1beg n ILE 18 Ca 0.23 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.98 1beg n ILE 18 Cb 0.91 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.84 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 0.00 0.00 -0.62 1.39 4.77 -1.21 -3.87 117.00 117.45 1beg n LEU 19 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1beg n LEU 19 Cb 0.00 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 1beg n LEU 19 CO 0.00 0.00 0.65 -0.24 -1.33 0.00 0.00 177.39 176.47 1beg n SER 20 N 0.57 3.24 0.06 -1.43 2.88 -1.26 -4.69 113.62 112.99 1beg n SER 20 Ca 0.00 -2.71 -0.18 0.00 -1.33 0.00 0.00 58.87 54.65 1beg n SER 20 Cb 0.00 -0.41 -0.14 0.00 -0.75 0.00 0.00 64.21 62.91 1beg n SER 20 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1beg h ASP 21 N 1.39 0.43 0.00 -3.46 3.58 -1.85 -3.49 116.42 113.03 1beg h ASP 21 Ca 0.00 -0.64 0.00 0.00 0.42 0.00 0.00 57.03 56.81 1beg h ASP 21 Cb 1.12 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1beg h ASP 21 CO 0.11 1.54 0.00 0.00 -2.88 0.00 0.00 179.24 178.01 1beg n ALA 22 N -2.73 0.00 -0.38 -0.78 0.00 -1.26 -4.93 120.51 110.43 1beg n ALA 22 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 1beg n ALA 22 Cb 1.05 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.54 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 1.24 -0.63 0.42 0.00 2.88 -1.26 0.87 113.62 117.13 1beg n SER 23 Ca 0.00 1.71 -0.16 0.00 -1.33 0.00 0.00 58.87 59.08 1beg n SER 23 Cb 0.00 -0.39 -0.08 0.00 -0.75 0.00 0.00 64.21 62.99 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 0.00 -0.99 -0.99 0.66 3.57 -1.92 -0.76 116.94 116.52 1beg h PHE 24 Ca 0.34 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.93 1beg h PHE 24 Cb 0.59 0.33 -0.08 0.00 2.79 0.00 0.00 35.95 39.57 1beg h PHE 24 CO -0.86 -0.61 0.63 -0.97 -2.23 0.00 0.00 178.31 174.26 1beg h ASN 25 N -1.11 0.91 -0.49 0.41 -1.24 -1.74 -2.06 115.58 110.26 1beg h ASN 25 Ca -0.11 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 56.94 1beg h ASN 25 Cb 0.82 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.70 1beg h ASN 25 CO 0.18 0.50 0.28 -0.61 -1.29 0.00 0.00 177.43 176.48 1beg h GLN 26 N 0.98 0.67 0.69 6.67 5.75 0.59 0.11 115.11 130.58 1beg h GLN 26 Ca 0.48 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.88 1beg h GLN 26 Cb 0.47 -0.14 0.01 0.00 1.07 0.00 0.00 27.48 28.89 1beg h GLN 26 CO -0.24 0.51 -0.33 0.00 -2.65 0.00 0.00 178.83 176.11 1beg h SER 28 N -0.97 0.54 0.09 0.00 0.87 -1.30 -2.44 113.55 110.34 1beg h SER 28 Ca -0.10 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1beg h SER 28 Cb 0.72 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1beg h SER 28 CO 0.16 0.23 -0.04 0.74 -0.53 0.00 0.00 176.83 177.39 1beg h THR 29 N 0.55 1.09 -0.76 2.23 2.02 -0.35 -0.95 112.91 116.75 1beg h THR 29 Ca 0.47 -1.39 0.17 0.00 0.77 0.00 0.00 66.41 66.44 1beg h THR 29 Cb 0.98 1.89 -0.13 0.00 -1.74 0.00 0.00 68.15 69.16 1beg h THR 29 CO -0.21 0.30 0.08 0.44 0.37 0.00 0.00 175.52 176.51 1beg h ASP 30 N -0.84 -0.20 0.00 4.18 3.32 -0.08 -3.34 116.42 119.47 1beg h ASP 30 Ca -0.01 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1beg h ASP 30 Cb 0.59 0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1beg h ASP 30 CO 0.02 -0.13 -0.26 -0.24 -1.72 0.00 0.00 179.24 176.91 1beg n SER 31 N -5.27 0.50 0.00 6.45 2.88 -0.99 -5.07 113.62 112.11 1beg n SER 31 Ca 0.15 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1beg n SER 31 Cb 0.49 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1beg n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1beg n GLY 32 N 1.49 3.15 3.74 0.46 0.00 -0.36 -5.09 105.19 108.59 1beg n GLY 32 Ca -0.04 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1beg n GLY 32 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1beg s TYR 33 N 0.00 3.02 -0.06 1.61 5.04 -1.25 -4.83 117.35 120.88 1beg s TYR 33 Ca 0.00 0.92 -0.04 0.00 -2.44 0.00 0.00 57.07 55.50 1beg s TYR 33 Cb 0.00 -3.85 -0.04 0.00 0.35 0.00 0.00 41.96 38.42 1beg s TYR 33 CO 0.00 -2.89 0.15 0.45 -1.34 0.00 0.00 175.55 171.92 1beg s SER 34 N 0.58 6.27 -0.16 4.32 0.15 -1.26 -4.37 113.70 119.23 1beg s SER 34 Ca 0.62 0.37 0.14 0.00 0.70 0.00 0.00 55.95 57.79 1beg s SER 34 Cb -0.42 -1.98 -0.20 0.00 -1.71 0.00 0.00 66.02 61.71 1beg s SER 34 CO 0.40 0.33 0.06 0.80 1.20 0.00 0.00 173.24 176.03 1beg n MET 35 N 1.46 1.37 0.14 5.44 1.56 -1.26 -4.42 117.12 121.42 1beg n MET 35 Ca -0.15 -0.01 -0.25 0.00 -0.27 0.00 0.00 57.70 57.02 1beg n MET 35 Cb 0.54 -1.41 -0.16 0.00 2.15 0.00 0.00 33.22 34.34 1beg n MET 35 CO 0.00 0.00 0.00 1.37 -0.73 0.00 0.00 175.97 176.61 1beg h LEU 36 N 0.00 0.85 -6.60 -0.89 8.10 -2.02 -3.40 115.31 111.35 1beg h LEU 36 Ca -0.43 -0.91 -0.60 0.00 0.11 0.00 0.00 57.88 56.05 1beg h LEU 36 Cb 1.98 -0.28 -0.40 0.00 -0.44 0.00 0.00 40.66 41.52 1beg h LEU 36 CO 0.02 1.70 -0.77 0.41 -4.11 0.00 0.00 178.44 175.69 1beg n THR 37 N -3.74 0.50 -3.47 0.15 -1.04 -1.26 -4.89 114.28 100.53 1beg n THR 37 Ca -0.17 -4.33 -0.10 0.00 -2.04 0.00 0.00 64.05 57.42 1beg n THR 37 Cb 1.09 -1.97 -0.02 0.00 -1.82 0.00 0.00 70.33 67.61 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 -1.05 -1.69 0.00 2.41 0.00 -1.26 -4.82 121.76 115.34 1beg s ALA 38 Ca 0.31 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1beg s ALA 38 Cb 0.04 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.83 1beg s ALA 38 CO -0.15 -0.74 0.82 1.63 0.00 0.00 0.00 175.76 177.32 1beg n LYS 39 N -0.32 0.00 -3.90 0.00 4.01 -1.26 -4.75 118.16 111.93 1beg n LYS 39 Ca -0.13 0.33 -0.03 0.00 -0.51 0.00 0.00 58.31 57.98 1beg n LYS 39 Cb 0.63 -1.32 0.02 0.00 -0.51 0.00 0.00 35.03 33.85 1beg n LYS 39 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1beg s ALA 40 N -2.67 -1.63 -0.08 7.82 0.00 -1.26 -4.68 121.76 119.27 1beg s ALA 40 Ca 0.00 -0.37 -0.37 0.00 0.00 0.00 0.00 51.96 51.23 1beg s ALA 40 Cb 0.00 0.79 -0.18 0.00 0.00 0.00 0.00 23.12 23.73 1beg s ALA 40 CO 0.00 -1.07 1.03 1.28 0.00 0.00 0.00 175.76 177.00 1beg n LEU 41 N -0.73 0.18 0.00 0.00 4.77 -1.26 -4.97 117.00 114.99 1beg n LEU 41 Ca -0.02 1.03 -0.24 0.00 -0.03 0.00 0.00 56.01 56.75 1beg n LEU 41 Cb 0.59 -0.81 0.20 0.00 -2.33 0.00 0.00 43.42 41.07 1beg n LEU 41 CO 0.21 -1.53 0.53 -0.81 -1.33 0.00 0.00 177.39 174.46 1beg n PRO 42 N 1.71 -2.54 -3.01 3.23 -0.04 -1.26 -5.08 135.00 128.01 1beg n PRO 42 Ca 0.19 -1.47 -0.33 0.00 -0.04 0.00 0.00 63.50 61.86 1beg n PRO 42 Cb 0.05 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 1beg n PRO 42 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1beg s THR 43 N -2.73 4.56 0.16 0.52 -4.23 -1.26 -4.80 115.64 107.86 1beg s THR 43 Ca 0.59 1.17 -0.02 0.00 -1.18 0.00 0.00 61.69 62.25 1beg s THR 43 Cb -0.05 -3.61 0.24 0.00 1.34 0.00 0.00 72.50 70.42 1beg s THR 43 CO 0.45 -0.24 0.83 1.07 -0.54 0.00 0.00 174.62 176.19 1beg n THR 44 N -0.48 -0.22 0.31 3.99 5.66 -1.26 -0.94 114.28 121.34 1beg n THR 44 Ca 0.05 1.20 -0.15 0.00 -3.05 0.00 0.00 64.05 62.10 1beg n THR 44 Cb 0.53 -1.70 -0.08 0.00 -1.55 0.00 0.00 70.33 67.54 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 1.07 -0.80 -0.78 1.79 0.00 -1.99 -0.88 119.26 117.67 1beg h ALA 45 Ca 0.29 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1beg h ALA 45 Cb 0.52 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1beg h ALA 45 CO -0.53 -0.82 0.48 0.37 0.00 0.00 0.00 179.25 178.76 1beg h GLN 46 N -1.05 0.88 -0.44 0.00 4.15 -1.73 -1.84 115.11 115.07 1beg h GLN 46 Ca -0.08 -0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.37 1beg h GLN 46 Cb 0.67 -0.20 -0.08 0.00 0.21 0.00 0.00 27.48 28.08 1beg h GLN 46 CO 0.13 0.59 -0.06 -0.92 -1.93 0.00 0.00 178.83 176.64 1beg h TYR 47 N 0.91 -0.14 -0.12 3.99 5.03 -0.97 -1.87 116.97 123.81 1beg h TYR 47 Ca 0.33 0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.72 1beg h TYR 47 Cb 0.09 0.13 -0.05 0.00 1.55 0.00 0.00 36.73 38.46 1beg h TYR 47 CO -0.04 -0.15 -0.18 -0.22 -1.32 0.00 0.00 178.16 176.25 1beg h LYS 48 N 0.05 -0.23 -0.68 1.82 1.63 -0.30 -0.34 116.57 118.52 1beg h LYS 48 Ca 0.22 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 60.07 1beg h LYS 48 Cb 0.33 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.97 1beg h LYS 48 CO -0.42 -0.15 0.45 -0.07 -3.45 0.00 0.00 179.45 175.81 1beg h LEU 49 N -0.24 0.70 -0.23 5.20 3.38 -1.13 -2.76 115.31 120.24 1beg h LEU 49 Ca 0.09 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 1beg h LEU 49 Cb 0.37 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1beg h LEU 49 CO -0.26 0.48 -0.62 0.24 0.09 0.00 0.00 178.44 178.38 1beg h MET 50 N 0.81 0.81 -0.05 1.13 2.86 -0.53 -3.22 114.93 116.74 1beg h MET 50 Ca 0.27 -0.58 0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1beg h MET 50 Cb 0.08 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1beg h MET 50 CO -0.08 1.20 0.04 0.00 1.06 0.00 0.00 176.91 179.13 1beg h ALA 52 N 1.97 0.01 -0.96 0.00 0.00 -1.60 -3.47 119.26 115.22 1beg h ALA 52 Ca 0.02 -0.27 -0.74 0.00 0.00 0.00 0.00 54.91 53.92 1beg h ALA 52 Cb 0.10 0.21 0.06 0.00 0.00 0.00 0.00 17.79 18.15 1beg h ALA 52 CO -0.00 0.21 -0.04 0.45 0.00 0.00 0.00 179.25 179.87 1beg n SER 53 N -4.69 -0.21 -0.17 0.00 2.88 -1.22 -4.85 113.62 105.36 1beg n SER 53 Ca -0.05 1.11 -0.07 0.00 -1.33 0.00 0.00 58.87 58.53 1beg n SER 53 Cb 0.16 -0.89 0.02 0.00 -0.75 0.00 0.00 64.21 62.75 1beg n SER 53 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1beg h THR 54 N 2.56 1.15 -0.13 2.46 2.02 -1.93 -2.41 112.91 116.63 1beg h THR 54 Ca -0.45 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.44 1beg h THR 54 Cb 1.37 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 1beg h THR 54 CO 0.61 0.15 -0.08 0.00 0.37 0.00 0.00 175.52 176.57 1beg h ALA 55 N 1.16 0.03 -0.46 6.16 0.00 -1.91 -1.98 119.26 122.25 1beg h ALA 55 Ca 0.18 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1beg h ALA 55 Cb -0.03 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1beg h ALA 55 CO -0.04 -0.53 0.28 0.00 0.00 0.00 0.00 179.25 178.97 1beg h ASN 57 N 0.57 0.86 -0.43 0.00 -0.26 -1.13 -2.25 115.58 112.95 1beg h ASN 57 Ca 0.18 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1beg h ASN 57 Cb -0.01 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.04 1beg h ASN 57 CO -0.07 0.59 0.28 0.74 -1.06 0.00 0.00 177.43 177.91 1beg h THR 58 N 1.01 1.11 0.59 2.81 2.02 -0.97 -1.15 112.91 118.34 1beg h THR 58 Ca 0.33 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 1beg h THR 58 Cb 0.03 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1beg h THR 58 CO -0.12 0.11 -0.45 0.24 0.37 0.00 0.00 175.52 175.67 1beg h MET 59 N 0.58 -0.97 0.64 6.66 2.86 -1.03 -1.81 114.93 121.86 1beg h MET 59 Ca 0.16 0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1beg h MET 59 Cb -0.06 0.22 0.01 0.00 0.06 0.00 0.00 31.60 31.83 1beg h MET 59 CO -0.03 -0.65 -0.31 0.82 1.06 0.00 0.00 176.91 177.81 1beg h ILE 60 N -1.00 0.32 -0.93 -1.22 1.08 -1.49 -2.36 117.51 111.91 1beg h ILE 60 Ca -0.08 -0.18 0.19 0.00 -0.39 0.00 0.00 64.86 64.40 1beg h ILE 60 Cb 0.83 0.37 -0.11 0.00 -3.07 0.00 0.00 36.82 34.85 1beg h ILE 60 CO 0.02 0.02 0.50 0.50 -0.69 0.00 0.00 178.15 178.51 1beg h LYS 61 N -0.98 0.60 0.17 2.37 3.64 -1.30 -0.14 116.57 120.93 1beg h LYS 61 Ca -0.09 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1beg h LYS 61 Cb 0.69 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1beg h LYS 61 CO 0.14 0.40 -0.08 0.87 -2.27 0.00 0.00 179.45 178.51 1beg h LYS 62 N 0.62 -0.22 -0.66 1.90 1.57 -1.26 -0.88 116.57 117.65 1beg h LYS 62 Ca 0.54 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.40 1beg h LYS 62 Cb 0.88 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.20 1beg h LYS 62 CO -0.42 -0.02 0.43 0.82 -0.57 0.00 0.00 179.45 179.69 1beg h ILE 63 N -0.37 1.01 0.19 1.86 1.08 -0.70 -0.50 117.51 120.08 1beg h ILE 63 Ca -0.02 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 1beg h ILE 63 Cb 0.29 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1beg h ILE 63 CO 0.04 0.12 -0.09 0.58 -0.69 0.00 0.00 178.15 178.11 1beg h VAL 64 N 0.66 0.88 -0.37 1.67 2.07 -0.76 -1.21 116.25 119.19 1beg h VAL 64 Ca 0.28 -0.90 0.07 0.00 0.82 0.00 0.00 66.70 66.97 1beg h VAL 64 Cb 0.26 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1beg h VAL 64 CO -0.09 0.19 0.26 0.74 0.02 0.00 0.00 177.57 178.69 1beg h THR 65 N -0.74 0.92 -0.11 2.57 2.02 -0.85 -1.59 112.91 115.13 1beg h THR 65 Ca -0.03 -0.07 -0.18 0.00 0.77 0.00 0.00 66.41 66.90 1beg h THR 65 Cb 0.51 0.69 0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1beg h THR 65 CO 0.04 0.04 -0.66 -0.07 0.37 0.00 0.00 175.52 175.25 1beg h LEU 66 N 0.21 0.76 -2.94 2.58 -0.00 -1.03 -3.49 115.31 111.40 1beg h LEU 66 Ca 0.17 -0.65 -0.19 0.00 -0.00 0.00 0.00 57.88 57.20 1beg h LEU 66 Cb 0.40 -0.23 0.01 0.00 -0.00 0.00 0.00 40.66 40.85 1beg h LEU 66 CO -0.03 1.29 -0.89 -0.46 -0.00 0.00 0.00 178.44 178.36 1beg n ASN 67 N -4.09 -6.72 -4.74 -0.43 6.94 -0.46 -5.00 115.26 100.75 1beg n ASN 67 Ca -0.08 0.23 -0.30 0.00 -0.02 0.00 0.00 54.58 54.41 1beg n ASN 67 Cb 0.68 -3.43 0.13 0.00 -2.36 0.00 0.00 39.78 34.80 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 -2.43 1.40 0.55 -0.53 0.04 -1.26 -5.04 135.00 127.72 1beg s PRO 68 Ca 0.30 0.73 -0.18 0.00 0.04 0.00 0.00 61.00 61.88 1beg s PRO 68 Cb -0.05 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 1beg s PRO 68 CO 0.79 -2.12 1.08 -1.25 0.04 0.00 0.00 177.00 175.55 1beg s PRO 69 N -5.01 3.42 -0.47 0.56 0.04 -1.26 -4.82 135.00 127.46 1beg s PRO 69 Ca 0.63 1.42 -0.28 0.00 0.04 0.00 0.00 61.00 62.81 1beg s PRO 69 Cb -0.17 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1beg s PRO 69 CO 0.56 -0.76 1.78 1.21 0.04 0.00 0.00 177.00 179.84 1beg s ASN 70 N -2.15 5.65 0.05 6.66 2.47 -1.26 -4.50 114.94 121.86 1beg s ASN 70 Ca 0.68 0.80 -0.27 0.00 0.42 0.00 0.00 52.86 54.50 1beg s ASN 70 Cb -0.19 -2.53 0.09 0.00 -1.45 0.00 0.00 41.25 37.17 1beg s ASN 70 CO 0.29 -1.99 0.88 0.00 -3.72 0.00 0.00 177.10 172.55 1beg s ASP 72 N -2.63 6.29 -0.21 0.00 1.01 -1.26 -4.00 116.67 115.88 1beg s ASP 72 Ca 0.06 0.43 0.01 0.00 0.71 0.00 0.00 52.55 53.77 1beg s ASP 72 Cb -0.01 -2.03 0.04 0.00 1.01 0.00 0.00 42.92 41.94 1beg s ASP 72 CO -0.06 0.40 -0.12 -0.22 0.21 0.00 0.00 175.17 175.38 1beg s LEU 73 N -0.96 2.46 -0.22 1.23 0.20 0.05 -3.25 118.68 118.19 1beg s LEU 73 Ca 0.15 -0.94 -0.21 0.00 0.69 0.00 0.00 54.13 53.82 1beg s LEU 73 Cb -0.12 -1.32 -0.02 0.00 -0.43 0.00 0.00 46.19 44.30 1beg s LEU 73 CO 0.04 -0.13 0.63 0.42 -0.29 0.00 0.00 176.35 177.02 1beg s THR 74 N 1.33 5.00 -0.42 3.68 -4.23 -1.26 -1.15 115.64 118.58 1beg s THR 74 Ca -0.02 1.17 -0.26 0.00 -1.18 0.00 0.00 61.69 61.40 1beg s THR 74 Cb -0.16 -3.94 0.02 0.00 1.34 0.00 0.00 72.50 69.75 1beg s THR 74 CO -0.08 0.07 0.96 -0.69 -0.54 0.00 0.00 174.62 174.34 1beg s VAL 75 N 2.20 4.48 0.26 2.29 1.01 -0.05 -4.94 120.40 125.65 1beg s VAL 75 Ca 0.28 1.04 0.13 0.00 0.00 0.00 0.00 61.98 63.43 1beg s VAL 75 Cb -0.16 -4.42 0.03 0.00 0.00 0.00 0.00 36.38 31.83 1beg s VAL 75 CO 0.09 -0.73 1.67 1.55 0.00 0.00 0.00 175.10 177.68 1beg h PRO 76 N 8.82 0.00 0.23 2.72 0.13 -1.94 -1.05 132.00 140.91 1beg h PRO 76 Ca -0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1beg h PRO 76 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1beg h PRO 76 CO 1.02 0.53 -0.11 1.79 -0.23 0.00 0.00 178.00 181.00 1beg h THR 77 N 0.00 0.75 0.06 1.56 1.35 -1.92 -3.35 112.91 111.36 1beg h THR 77 Ca -0.01 -0.90 -0.27 0.00 -0.55 0.00 0.00 66.41 64.68 1beg h THR 77 Cb 0.99 1.20 0.02 0.00 -1.73 0.00 0.00 68.15 68.63 1beg h THR 77 CO 0.07 0.17 -1.12 0.77 -0.25 0.00 0.00 175.52 175.16 1beg h SER 78 N -0.83 0.79 0.00 5.36 4.64 -1.86 -3.49 113.55 118.17 1beg h SER 78 Ca -0.03 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.61 1beg h SER 78 Cb 0.51 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1beg h SER 78 CO 0.05 1.49 0.00 0.61 -0.87 0.00 0.00 176.83 178.11 1beg n GLY 79 N 1.20 0.88 3.48 -0.77 0.00 -0.40 -4.84 105.19 104.74 1beg n GLY 79 Ca -0.11 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 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 2.62 -0.13 0.99 0.20 -1.19 -4.96 118.68 116.21 1beg s LEU 80 Ca 0.00 -1.06 -0.07 0.00 0.69 0.00 0.00 54.13 53.68 1beg s LEU 80 Cb 0.00 -1.08 -0.04 0.00 -0.43 0.00 0.00 46.19 44.64 1beg s LEU 80 CO 0.00 -0.01 0.14 -0.69 -0.29 0.00 0.00 176.35 175.50 1beg s VAL 81 N -2.53 5.48 -0.09 1.68 1.01 -1.26 -0.87 120.40 123.82 1beg s VAL 81 Ca 0.30 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 1beg s VAL 81 Cb -0.03 -3.40 0.05 0.00 0.00 0.00 0.00 36.38 32.99 1beg s VAL 81 CO 0.15 0.60 0.18 -0.22 0.00 0.00 0.00 175.10 175.81 1beg s LEU 82 N -0.87 0.23 0.00 3.92 2.96 -0.30 -4.97 118.68 119.65 1beg s LEU 82 Ca 0.14 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 1beg s LEU 82 Cb -0.12 0.42 0.00 0.00 0.50 0.00 0.00 46.19 46.99 1beg s LEU 82 CO 0.03 -0.20 0.31 -3.20 -1.32 0.00 0.00 176.35 171.97 1beg n ASN 83 N 4.80 0.00 0.00 3.68 2.85 -1.26 -0.77 115.26 124.56 1beg n ASN 83 Ca -0.15 0.31 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 1beg n ASN 83 Cb 0.51 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.53 1beg n ASN 83 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1beg n VAL 84 N -0.41 0.00 0.09 3.44 0.31 -1.26 -2.48 118.33 118.02 1beg n VAL 84 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1beg n VAL 84 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 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 -0.29 0.00 3.52 3.20 -1.79 -3.24 116.97 118.37 1beg h TYR 85 Ca 0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1beg h TYR 85 Cb 0.00 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1beg h TYR 85 CO 0.00 -0.06 -0.00 0.77 -1.64 0.00 0.00 178.16 177.22 1beg h SER 86 N -1.04 0.00 0.55 -2.11 0.02 -1.91 -2.98 113.55 106.08 1beg h SER 86 Ca -0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1beg h SER 86 Cb 0.36 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 1beg h SER 86 CO 0.05 0.00 -0.32 0.22 -1.14 0.00 0.00 176.83 175.65 1beg h TYR 87 N 0.00 -0.85 -0.05 3.45 3.20 -1.93 0.59 116.97 121.38 1beg h TYR 87 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1beg h TYR 87 Cb 0.03 0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1beg h TYR 87 CO 0.00 -0.49 0.01 0.00 -1.64 0.00 0.00 178.16 176.04 1beg h ALA 88 N -1.46 0.07 -0.91 1.82 0.00 -1.64 -0.08 119.26 117.06 1beg h ALA 88 Ca -0.07 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1beg h ALA 88 Cb 0.64 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1beg h ALA 88 CO 0.09 -0.30 0.60 -0.91 0.00 0.00 0.00 179.25 178.72 1beg h ASN 89 N -0.15 1.05 0.19 0.00 -0.26 -1.61 -2.90 115.58 111.91 1beg h ASN 89 Ca 0.02 -0.03 -0.24 0.00 -0.56 0.00 0.00 56.30 55.49 1beg h ASN 89 Cb 0.26 -0.26 0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1beg h ASN 89 CO 0.00 0.76 -0.96 1.23 -1.06 0.00 0.00 177.43 177.41 1beg h GLY 90 N 1.23 0.59 -0.09 2.83 0.00 -0.82 -3.32 103.07 103.49 1beg h GLY 90 Ca 0.33 -1.01 0.03 0.00 0.00 0.00 0.00 47.33 46.68 1beg h GLY 90 CO -0.07 0.89 -0.51 -2.75 0.00 0.00 0.00 176.54 174.10 1beg h PHE 91 N 0.31 -1.52 -0.63 5.60 3.04 -0.79 -0.89 116.94 122.06 1beg h PHE 91 Ca -0.09 0.05 0.09 0.00 3.98 0.00 0.00 57.97 62.00 1beg h PHE 91 Cb 1.59 0.67 -0.07 0.00 2.56 0.00 0.00 35.95 40.71 1beg h PHE 91 CO 0.07 -0.52 0.28 1.03 -2.02 0.00 0.00 178.31 177.15 1beg h SER 92 N -0.58 0.32 -0.25 0.41 0.87 -1.71 -0.14 113.55 112.47 1beg h SER 92 Ca 0.02 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1beg h SER 92 Cb 0.65 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.59 1beg h SER 92 CO -0.39 0.19 -0.03 -1.13 -0.53 0.00 0.00 176.83 174.94 1beg h ASN 93 N 0.49 -0.17 -0.27 6.23 -0.73 -1.51 -0.03 115.58 119.59 1beg h ASN 93 Ca 0.31 0.07 -0.09 0.00 1.87 0.00 0.00 56.30 58.46 1beg h ASN 93 Cb 0.35 0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.05 1beg h ASN 93 CO -0.28 -0.05 -0.13 0.11 -0.37 0.00 0.00 177.43 176.71 1beg h LYS 94 N 0.04 0.69 -0.48 6.67 1.57 -0.54 -0.80 116.57 123.72 1beg h LYS 94 Ca 0.12 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1beg h LYS 94 Cb 0.17 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1beg h LYS 94 CO -0.23 0.79 0.05 0.00 -0.57 0.00 0.00 179.45 179.49 1beg h SER 96 N 0.67 0.46 0.27 0.00 0.02 -0.82 -3.06 113.55 111.08 1beg h SER 96 Ca 0.14 -0.33 -0.09 0.00 -0.84 0.00 0.00 61.79 60.67 1beg h SER 96 Cb 0.43 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1beg h SER 96 CO 0.01 0.67 -0.37 -1.28 -1.14 0.00 0.00 176.83 174.72 1beg h SER 97 N 0.23 0.16 0.00 3.07 0.87 -1.03 -3.51 113.55 113.34 1beg h SER 97 Ca 0.07 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1beg h SER 97 Cb 0.45 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1beg h SER 97 CO 0.02 0.53 0.00 -0.11 -0.53 0.00 0.00 176.83 176.73