#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b1g s SER 2 N 0.00 -0.11 0.13 4.39 1.04 -1.26 -5.05 113.70 112.84 1b1g s SER 2 Ca 0.00 -0.80 -0.32 0.00 0.48 0.00 0.00 55.95 55.31 1b1g s SER 2 Cb 0.00 0.55 -0.10 0.00 0.10 0.00 0.00 66.02 66.57 1b1g s SER 2 CO 0.00 -1.07 1.56 -0.65 0.98 0.00 0.00 173.24 174.06 1b1g h PRO 3 N 2.30 -0.46 -0.25 4.02 0.11 -2.04 -0.09 132.00 135.59 1b1g h PRO 3 Ca -0.28 0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.94 1b1g h PRO 3 Cb 1.25 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1b1g h PRO 3 CO 0.38 -0.30 0.28 0.93 -0.21 0.00 0.00 178.00 179.08 1b1g h GLU 4 N -0.47 0.00 0.30 1.05 3.07 -1.98 0.17 114.58 116.71 1b1g h GLU 4 Ca 0.06 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1b1g h GLU 4 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1b1g h GLU 4 CO -0.52 0.00 -0.14 0.93 -1.40 0.00 0.00 179.01 177.88 1b1g h GLU 5 N 0.00 -0.38 -0.62 2.33 4.39 -1.44 -0.18 114.58 118.68 1b1g h GLU 5 Ca 0.12 0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.75 1b1g h GLU 5 Cb 0.67 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1b1g h GLU 5 CO -0.00 -0.05 0.02 -0.07 -1.16 0.00 0.00 179.01 177.75 1b1g h LEU 6 N -0.91 1.05 -0.56 1.33 3.38 -0.85 0.97 115.31 119.73 1b1g h LEU 6 Ca -0.04 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.72 1b1g h LEU 6 Cb 0.51 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 1b1g h LEU 6 CO 0.07 1.09 0.19 0.50 0.09 0.00 0.00 178.44 180.38 1b1g h LYS 7 N 0.98 0.36 0.06 1.13 3.64 -0.80 1.00 116.57 122.94 1b1g h LYS 7 Ca 0.18 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1b1g h LYS 7 Cb 0.54 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1b1g h LYS 7 CO 0.03 0.24 -0.06 0.78 -2.27 0.00 0.00 179.45 178.17 1b1g h GLY 8 N 0.37 -0.11 0.40 5.01 0.00 0.19 0.91 103.07 109.84 1b1g h GLY 8 Ca 0.28 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.69 1b1g h GLY 8 CO -0.29 -0.06 -0.33 -2.22 0.00 0.00 0.00 176.54 173.64 1b1g h ILE 9 N -0.13 0.29 -0.31 2.60 1.08 -0.58 0.58 117.51 121.06 1b1g h ILE 9 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 1b1g h ILE 9 Cb 0.12 0.29 -0.08 0.00 -3.07 0.00 0.00 36.82 34.08 1b1g h ILE 9 CO -0.01 0.00 -0.33 0.15 -0.69 0.00 0.00 178.15 177.26 1b1g h PHE 10 N -0.55 -0.93 -0.61 1.37 3.04 -0.67 -0.90 116.94 117.69 1b1g h PHE 10 Ca 0.03 0.05 0.13 0.00 3.98 0.00 0.00 57.97 62.16 1b1g h PHE 10 Cb 0.59 0.45 -0.10 0.00 2.56 0.00 0.00 35.95 39.45 1b1g h PHE 10 CO -0.30 -0.39 0.02 1.49 -2.02 0.00 0.00 178.31 177.10 1b1g h GLU 11 N -0.31 0.13 0.50 1.11 4.81 -0.29 0.17 114.58 120.70 1b1g h GLU 11 Ca 0.14 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1b1g h GLU 11 Cb 0.55 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1b1g h GLU 11 CO -0.48 0.09 -0.45 -0.22 -0.73 0.00 0.00 179.01 177.22 1b1g h LYS 12 N 0.14 -0.89 -0.14 1.92 3.64 0.15 -3.18 116.57 118.21 1b1g h LYS 12 Ca 0.32 0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.63 1b1g h LYS 12 Cb 0.52 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1b1g h LYS 12 CO -0.51 -0.60 -0.47 1.88 -2.27 0.00 0.00 179.45 177.49 1b1g h TYR 13 N -0.93 0.43 -1.17 1.91 -1.99 -0.78 -2.99 116.97 111.45 1b1g h TYR 13 Ca -0.06 -0.13 0.34 0.00 2.00 0.00 0.00 58.73 60.88 1b1g h TYR 13 Cb 0.79 -0.09 -0.11 0.00 2.00 0.00 0.00 36.73 39.32 1b1g h TYR 13 CO -0.20 0.77 0.75 0.00 -0.00 0.00 0.00 178.16 179.47 1b1g h ALA 14 N 1.21 2.48 -0.02 3.88 0.00 -0.64 -1.06 119.26 125.11 1b1g h ALA 14 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1b1g h ALA 14 Cb 0.94 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1b1g h ALA 14 CO 0.08 -0.98 0.00 0.00 0.00 0.00 0.00 179.25 178.34 1b1g n ALA 15 N -2.50 2.57 0.13 0.00 0.00 -1.13 -4.40 120.51 115.18 1b1g n ALA 15 Ca 0.31 -0.46 -0.05 0.00 0.00 0.00 0.00 53.44 53.24 1b1g n ALA 15 Cb 1.14 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 1b1g n ALA 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1b1g h LYS 16 N 2.45 -0.34 0.05 0.00 1.63 -1.34 -3.39 116.57 115.63 1b1g h LYS 16 Ca 0.00 0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.69 1b1g h LYS 16 Cb 0.52 0.08 0.01 0.00 -0.60 0.00 0.00 32.23 32.24 1b1g h LYS 16 CO 0.00 -0.23 -0.56 0.93 -3.45 0.00 0.00 179.45 176.15 1b1g h GLU 17 N -0.50 0.29 -1.15 1.90 4.39 -1.82 -3.49 114.58 114.20 1b1g h GLU 17 Ca -0.04 -0.38 0.32 0.00 0.34 0.00 0.00 59.36 59.61 1b1g h GLU 17 Cb 0.27 0.12 -0.19 0.00 -0.10 0.00 0.00 28.75 28.85 1b1g h GLU 17 CO 0.06 1.11 0.94 0.20 -1.16 0.00 0.00 179.01 180.16 1b1g s GLY 18 N -4.19 -0.26 0.46 -3.84 0.00 -1.26 -5.16 107.32 93.07 1b1g s GLY 18 Ca -0.14 1.70 0.00 0.00 0.00 0.00 0.00 44.72 46.28 1b1g s GLY 18 CO 0.80 0.55 0.00 1.34 0.00 0.00 0.00 173.10 175.79 1b1g n ASP 19 N -0.10 -9.53 0.19 1.64 -0.08 -1.26 -4.77 116.55 102.64 1b1g n ASP 19 Ca 0.02 1.37 0.08 0.00 -1.51 0.00 0.00 54.79 54.76 1b1g n ASP 19 Cb 0.58 -5.25 0.16 0.00 2.34 0.00 0.00 41.12 38.95 1b1g n ASP 19 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1b1g h PRO 20 N 2.65 0.00 0.00 -0.67 0.13 -1.89 -3.33 132.00 128.88 1b1g h PRO 20 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.83 1b1g h PRO 20 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1b1g h PRO 20 CO 0.00 0.22 -2.10 -1.71 -0.23 0.00 0.00 178.00 174.18 1b1g n ASN 21 N -3.17 2.31 -4.89 1.44 5.15 -1.26 -4.04 115.26 110.80 1b1g n ASN 21 Ca 0.03 -0.03 -0.32 0.00 -0.60 0.00 0.00 54.58 53.65 1b1g n ASN 21 Cb 0.60 -0.36 -0.05 0.00 -0.53 0.00 0.00 39.78 39.44 1b1g n ASN 21 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1b1g s GLN 22 N -2.38 3.70 -0.59 1.20 1.11 -1.26 -4.55 119.66 116.88 1b1g s GLN 22 Ca -0.26 0.07 -0.22 0.00 0.01 0.00 0.00 55.36 54.97 1b1g s GLN 22 Cb 0.07 -2.78 0.07 0.00 -1.01 0.00 0.00 33.01 29.36 1b1g s GLN 22 CO 0.42 0.41 0.85 -0.51 0.01 0.00 0.00 175.29 176.47 1b1g s LEU 23 N -2.67 4.61 0.77 2.90 1.43 0.85 -4.58 118.68 121.99 1b1g s LEU 23 Ca 0.43 -0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 1b1g s LEU 23 Cb -0.12 -2.50 0.06 0.00 0.03 0.00 0.00 46.19 43.67 1b1g s LEU 23 CO 0.23 -1.23 1.11 -0.94 0.23 0.00 0.00 176.35 175.75 1b1g s SER 24 N 3.29 4.31 0.17 2.29 1.04 -1.26 -0.39 113.70 123.14 1b1g s SER 24 Ca 0.21 1.96 -0.23 0.00 0.48 0.00 0.00 55.95 58.37 1b1g s SER 24 Cb -0.18 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.47 1b1g s SER 24 CO 0.12 -2.17 1.60 0.50 0.98 0.00 0.00 173.24 174.27 1b1g h LYS 25 N -0.98 -0.23 -0.80 4.02 3.64 -1.94 0.37 116.57 120.65 1b1g h LYS 25 Ca -0.44 0.02 0.23 0.00 -1.27 0.00 0.00 60.65 59.18 1b1g h LYS 25 Cb 1.25 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 1b1g h LYS 25 CO 0.50 -0.16 0.73 1.05 -2.27 0.00 0.00 179.45 179.30 1b1g h GLU 26 N -0.24 0.00 0.02 1.90 4.11 -1.92 -2.88 114.58 115.57 1b1g h GLU 26 Ca 0.17 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.24 1b1g h GLU 26 Cb 0.53 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 1b1g h GLU 26 CO -0.53 0.00 -2.27 -1.91 0.07 0.00 0.00 179.01 174.37 1b1g n GLU 27 N -3.80 0.68 -0.31 1.06 2.13 0.11 -4.02 120.64 116.48 1b1g n GLU 27 Ca 0.17 0.14 0.10 0.00 0.66 0.00 0.00 57.16 58.23 1b1g n GLU 27 Cb 1.00 -1.59 0.32 0.00 0.27 0.00 0.00 31.44 31.44 1b1g n GLU 27 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1b1g h LEU 28 N 0.01 0.78 -0.33 4.31 5.85 -0.75 -3.18 115.31 122.00 1b1g h LEU 28 Ca -0.50 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.29 1b1g h LEU 28 Cb 2.05 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.93 1b1g h LEU 28 CO 0.00 0.39 -0.20 1.17 -0.34 0.00 0.00 178.44 179.47 1b1g n LYS 29 N -4.60 -0.15 -0.31 1.25 3.00 -1.21 -1.25 118.16 114.89 1b1g n LYS 29 Ca 0.19 0.99 0.02 0.00 -0.00 0.00 0.00 58.31 59.50 1b1g n LYS 29 Cb 0.43 -1.47 0.20 0.00 0.00 0.00 0.00 35.03 34.20 1b1g n LYS 29 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1b1g h LEU 30 N 0.00 0.97 0.15 3.14 3.38 -1.78 -2.43 115.31 118.74 1b1g h LEU 30 Ca 0.05 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1b1g h LEU 30 Cb 0.14 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1b1g h LEU 30 CO -0.31 0.66 -0.44 0.25 0.09 0.00 0.00 178.44 178.69 1b1g h LEU 31 N 1.13 -1.29 -0.17 1.67 6.46 -1.28 -2.33 115.31 119.49 1b1g h LEU 31 Ca 0.36 0.14 0.05 0.00 -0.12 0.00 0.00 57.88 58.31 1b1g h LEU 31 Cb 0.03 0.48 -0.07 0.00 -0.73 0.00 0.00 40.66 40.37 1b1g h LEU 31 CO -0.11 -0.51 -0.32 -0.07 -0.62 0.00 0.00 178.44 176.81 1b1g h LEU 32 N -0.69 -0.99 -1.37 2.25 3.38 -0.95 -1.45 115.31 115.48 1b1g h LEU 32 Ca 0.01 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1b1g h LEU 32 Cb 0.70 0.43 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1b1g h LEU 32 CO -0.23 -0.35 0.00 1.56 0.09 0.00 0.00 178.44 179.51 1b1g h GLN 33 N -0.37 0.00 0.00 1.13 4.20 -1.23 -1.38 115.11 117.46 1b1g h GLN 33 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1b1g h GLN 33 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1b1g h GLN 33 CO -0.38 0.00 -0.13 2.41 -0.67 0.00 0.00 178.83 180.06 1b1g n THR 34 N -2.52 0.23 0.85 -0.54 -1.04 -0.82 -4.78 114.28 105.66 1b1g n THR 34 Ca 0.00 0.45 0.09 0.00 -2.04 0.00 0.00 64.05 62.55 1b1g n THR 34 Cb 0.16 -1.64 -0.11 0.00 -1.82 0.00 0.00 70.33 66.93 1b1g n THR 34 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1b1g n GLU 35 N -2.75 0.82 -3.08 -2.82 -0.58 -0.61 -4.60 120.64 107.02 1b1g n GLU 35 Ca -0.02 -0.01 -0.16 0.00 -0.42 0.00 0.00 57.16 56.56 1b1g n GLU 35 Cb 0.07 -1.38 -0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1b1g n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1b1g n PHE 36 N -1.47 -0.57 0.12 -0.32 3.01 -0.60 -4.96 117.46 112.67 1b1g n PHE 36 Ca 0.03 -3.40 -0.06 0.00 1.01 0.00 0.00 57.45 55.03 1b1g n PHE 36 Cb 0.30 0.08 -0.03 0.00 -0.01 0.00 0.00 39.48 39.82 1b1g n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1b1g h PRO 37 N 3.03 -0.39 0.00 -1.08 0.13 -1.60 -3.39 132.00 128.69 1b1g h PRO 37 Ca 0.05 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1b1g h PRO 37 Cb 1.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1b1g h PRO 37 CO 0.41 -0.26 -1.03 -1.13 -0.23 0.00 0.00 178.00 175.77 1b1g n SER 38 N -5.02 0.74 0.06 1.44 3.41 -1.26 -4.21 113.62 108.78 1b1g n SER 38 Ca -0.05 -0.63 -0.12 0.00 -0.26 0.00 0.00 58.87 57.82 1b1g n SER 38 Cb 0.16 0.94 -0.06 0.00 -0.26 0.00 0.00 64.21 64.99 1b1g n SER 38 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1b1g h LEU 39 N 0.00 -0.21 -1.80 1.04 3.38 -1.93 -3.20 115.31 112.58 1b1g h LEU 39 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1b1g h LEU 39 Cb 0.59 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1b1g h LEU 39 CO 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.42 1b1g n LEU 40 N -5.19 1.81 -3.58 1.67 -0.00 -1.26 -4.82 117.00 105.63 1b1g n LEU 40 Ca -0.06 -0.91 -0.21 0.00 -0.00 0.00 0.00 56.01 54.83 1b1g n LEU 40 Cb 0.12 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.19 1b1g n LEU 40 CO 0.30 0.31 -0.22 0.29 -0.00 0.00 0.00 177.39 178.08 1b1g n LYS 41 N 0.55 -1.31 -1.50 1.47 4.76 -1.21 -4.60 118.16 116.32 1b1g n LYS 41 Ca 0.00 0.64 -0.63 0.00 -2.87 0.00 0.00 58.31 55.45 1b1g n LYS 41 Cb 0.31 -1.84 -0.11 0.00 -1.84 0.00 0.00 35.03 31.55 1b1g n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b1g n GLY 42 N -1.42 0.09 0.93 0.72 0.00 -1.26 -4.55 105.19 99.69 1b1g n GLY 42 Ca -0.27 1.05 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1b1g n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b1g n GLY 43 N 5.76 -1.99 3.59 -0.02 0.00 -1.26 -5.12 105.19 106.14 1b1g n GLY 43 Ca 0.42 0.58 -0.55 0.00 0.00 0.00 0.00 46.02 46.48 1b1g n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1b1g n SER 44 N -1.80 1.29 -4.74 1.61 7.64 -1.26 -4.92 113.62 111.45 1b1g n SER 44 Ca 0.00 1.13 -0.36 0.00 1.01 0.00 0.00 58.87 60.65 1b1g n SER 44 Cb 0.00 -1.11 0.05 0.00 -1.01 0.00 0.00 64.21 62.15 1b1g n SER 44 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1b1g s THR 45 N 0.75 2.44 0.21 0.44 -4.23 -1.26 -4.75 115.64 109.24 1b1g s THR 45 Ca 0.88 0.26 -0.02 0.00 -1.18 0.00 0.00 61.69 61.63 1b1g s THR 45 Cb -1.06 -3.03 0.32 0.00 1.34 0.00 0.00 72.50 70.06 1b1g s THR 45 CO 0.52 -0.07 1.12 -0.11 -0.54 0.00 0.00 174.62 175.54 1b1g n LEU 46 N -1.92 -0.16 0.12 4.79 7.94 -1.26 -1.23 117.00 125.27 1b1g n LEU 46 Ca 0.14 1.23 -0.14 0.00 -1.11 0.00 0.00 56.01 56.13 1b1g n LEU 46 Cb 0.49 -0.41 -0.08 0.00 0.53 0.00 0.00 43.42 43.95 1b1g n LEU 46 CO 0.46 -1.21 0.51 0.44 -1.11 0.00 0.00 177.39 176.48 1b1g h ASP 47 N 0.00 -1.32 -0.72 1.96 5.19 -1.97 0.13 116.42 119.69 1b1g h ASP 47 Ca 0.39 0.13 0.03 0.00 -0.62 0.00 0.00 57.03 56.96 1b1g h ASP 47 Cb 0.73 0.48 -0.04 0.00 0.18 0.00 0.00 39.33 40.67 1b1g h ASP 47 CO -0.71 -0.49 0.46 -0.33 -3.12 0.00 0.00 179.24 175.05 1b1g h GLU 48 N -0.68 0.88 0.82 3.56 4.39 -1.52 0.27 114.58 122.30 1b1g h GLU 48 Ca -0.01 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1b1g h GLU 48 Cb 0.66 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1b1g h GLU 48 CO -0.21 0.58 -0.39 1.25 -1.16 0.00 0.00 179.01 179.08 1b1g h LEU 49 N 0.90 -0.93 -0.76 1.33 5.85 -0.85 -1.93 115.31 118.91 1b1g h LEU 49 Ca 0.28 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.21 1b1g h LEU 49 Cb -0.01 0.24 -0.12 0.00 0.37 0.00 0.00 40.66 41.14 1b1g h LEU 49 CO -0.10 -0.59 0.10 0.15 -0.34 0.00 0.00 178.44 177.66 1b1g h PHE 50 N -1.25 0.13 0.00 1.25 3.04 -0.68 -1.52 116.94 117.91 1b1g h PHE 50 Ca -0.11 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1b1g h PHE 50 Cb 0.85 0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.42 1b1g h PHE 50 CO 0.01 -0.18 0.00 -0.85 -2.02 0.00 0.00 178.31 175.27 1b1g n GLU 51 N -5.26 0.15 0.01 1.11 0.28 0.94 -0.00 120.64 117.87 1b1g n GLU 51 Ca 0.15 0.24 -0.13 0.00 -0.16 0.00 0.00 57.16 57.26 1b1g n GLU 51 Cb 0.50 -1.71 -0.09 0.00 1.43 0.00 0.00 31.44 31.57 1b1g n GLU 51 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1b1g h GLU 52 N 0.00 -0.05 -0.04 3.44 4.81 -0.53 -3.39 114.58 118.82 1b1g h GLU 52 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1b1g h GLU 52 Cb 0.50 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1b1g h GLU 52 CO 0.00 0.38 0.02 -0.07 -0.73 0.00 0.00 179.01 178.61 1b1g h LEU 53 N -0.50 0.05 -8.06 1.64 3.38 0.13 -3.36 115.31 108.60 1b1g h LEU 53 Ca -0.01 -0.06 -0.46 0.00 0.09 0.00 0.00 57.88 57.45 1b1g h LEU 53 Cb 0.45 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1b1g h LEU 53 CO 0.01 0.10 1.31 -0.62 0.09 0.00 0.00 178.44 179.33 1b1g s ASP 54 N -5.30 5.78 0.46 -0.43 2.15 0.99 -4.79 116.67 115.53 1b1g s ASP 54 Ca -0.13 -1.50 0.25 0.00 0.43 0.00 0.00 52.55 51.60 1b1g s ASP 54 Cb 0.06 -2.57 0.54 0.00 -0.30 0.00 0.00 42.92 40.64 1b1g s ASP 54 CO 0.67 -2.22 1.68 0.11 -0.17 0.00 0.00 175.17 175.24 1b1g h LYS 55 N 9.74 0.00 -0.20 4.34 1.79 -1.88 -2.29 116.57 128.07 1b1g h LYS 55 Ca 0.23 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.57 1b1g h LYS 55 Cb 0.96 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1b1g h LYS 55 CO 1.32 0.00 -0.36 -0.97 -1.08 0.00 0.00 179.45 178.36 1b1g h ASN 56 N 0.00 0.66 -3.07 0.86 -1.24 -1.92 -3.49 115.58 107.37 1b1g h ASN 56 Ca -0.00 -0.54 0.00 0.00 0.71 0.00 0.00 56.30 56.47 1b1g h ASN 56 Cb 0.91 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.77 1b1g h ASN 56 CO 0.00 1.08 -0.01 0.61 -1.29 0.00 0.00 177.43 177.82 1b1g n GLY 57 N 0.39 -0.47 0.00 1.57 0.00 -0.86 -5.05 105.19 100.77 1b1g n GLY 57 Ca -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1b1g n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b1g n ASP 58 N -0.83 0.93 0.00 1.61 5.68 -1.26 -5.06 116.55 117.63 1b1g n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1b1g n ASP 58 Cb 0.32 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 1b1g n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b1g n GLY 59 N 1.57 2.53 3.21 6.12 0.00 -1.26 -5.15 105.19 112.21 1b1g n GLY 59 Ca 0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1b1g n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b1g s GLU 60 N 0.00 1.27 0.37 1.61 8.01 -1.26 -3.37 118.70 125.32 1b1g s GLU 60 Ca 0.00 -1.68 0.05 0.00 0.01 0.00 0.00 54.97 53.35 1b1g s GLU 60 Cb 0.00 0.27 -0.01 0.00 -4.31 0.00 0.00 34.13 30.08 1b1g s GLU 60 CO 0.00 -0.42 0.53 0.08 0.01 0.00 0.00 175.26 175.46 1b1g s VAL 61 N -4.07 4.03 0.32 2.63 1.01 0.47 -4.78 120.40 120.02 1b1g s VAL 61 Ca 0.39 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1b1g s VAL 61 Cb 0.06 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1b1g s VAL 61 CO 0.14 -0.20 0.16 -0.94 0.00 0.00 0.00 175.10 174.26 1b1g s SER 62 N -4.19 1.70 0.38 3.32 1.04 -1.26 -0.11 113.70 114.58 1b1g s SER 62 Ca 0.46 -1.58 0.21 0.00 0.48 0.00 0.00 55.95 55.52 1b1g s SER 62 Cb -0.10 0.39 1.24 0.00 0.10 0.00 0.00 66.02 67.66 1b1g s SER 62 CO 0.33 -0.89 1.64 0.15 0.98 0.00 0.00 173.24 175.45 1b1g h PHE 63 N 2.16 0.77 -0.58 5.02 3.57 -1.96 0.25 116.94 126.17 1b1g h PHE 63 Ca -0.33 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.24 1b1g h PHE 63 Cb 1.25 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 1b1g h PHE 63 CO 1.10 -0.23 0.32 1.49 -2.23 0.00 0.00 178.31 178.76 1b1g h GLU 64 N 0.19 0.59 0.00 1.11 4.81 -1.96 -1.48 114.58 117.84 1b1g h GLU 64 Ca 0.77 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.86 1b1g h GLU 64 Cb 2.05 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 31.28 1b1g h GLU 64 CO -0.56 0.39 -0.74 0.93 -0.73 0.00 0.00 179.01 178.30 1b1g h GLU 65 N 0.61 0.00 -0.23 1.92 5.08 -1.40 -2.68 114.58 117.88 1b1g h GLU 65 Ca 0.25 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.68 1b1g h GLU 65 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1b1g h GLU 65 CO -0.15 0.39 0.42 0.35 -1.00 0.00 0.00 179.01 179.01 1b1g h PHE 66 N 0.00 0.00 0.00 4.33 3.04 -0.05 0.20 116.94 124.45 1b1g h PHE 66 Ca -0.05 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.90 1b1g h PHE 66 Cb 1.39 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.90 1b1g h PHE 66 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 178.31 177.33 1b1g n GLN 67 N -3.32 0.17 -0.04 1.11 1.13 -0.70 -0.15 117.38 115.58 1b1g n GLN 67 Ca 0.03 0.49 -0.14 0.00 -1.94 0.00 0.00 57.00 55.45 1b1g n GLN 67 Cb 0.53 -1.89 -0.09 0.00 0.11 0.00 0.00 30.24 28.90 1b1g n GLN 67 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1b1g h VAL 68 N 0.00 1.43 -0.62 5.09 2.07 -0.80 -3.23 116.25 120.19 1b1g h VAL 68 Ca 0.00 -1.52 0.11 0.00 0.82 0.00 0.00 66.70 66.11 1b1g h VAL 68 Cb 0.24 2.27 -0.08 0.00 -1.52 0.00 0.00 31.29 32.19 1b1g h VAL 68 CO 0.00 0.42 0.18 0.25 0.02 0.00 0.00 177.57 178.44 1b1g h LEU 69 N -0.29 0.10 -2.16 2.57 7.12 -0.53 0.22 115.31 122.34 1b1g h LEU 69 Ca -0.00 0.10 0.07 0.00 0.13 0.00 0.00 57.88 58.17 1b1g h LEU 69 Cb 0.77 0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.01 1b1g h LEU 69 CO 0.04 0.06 0.22 0.58 -0.13 0.00 0.00 178.44 179.21 1b1g h VAL 70 N 0.32 0.54 0.06 1.05 2.07 -1.05 0.25 116.25 119.49 1b1g h VAL 70 Ca 0.32 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.75 1b1g h VAL 70 Cb 0.46 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1b1g h VAL 70 CO -0.37 0.00 -0.41 0.50 0.02 0.00 0.00 177.57 177.31 1b1g h LYS 71 N 0.00 0.12 0.00 1.57 3.64 -0.76 -3.39 116.57 117.75 1b1g h LYS 71 Ca 0.11 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1b1g h LYS 71 Cb 0.56 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1b1g h LYS 71 CO -0.00 1.10 0.00 -0.22 -2.27 0.00 0.00 179.45 178.06 1b1g h LYS 72 N -0.74 0.00 -0.07 1.90 3.64 0.13 0.18 116.57 121.61 1b1g h LYS 72 Ca -0.08 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1b1g h LYS 72 Cb 1.28 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1b1g h LYS 72 CO 0.05 0.00 0.06 -0.84 -2.27 0.00 0.00 179.45 176.45 1b1g h ILE 73 N 0.00 0.70 0.00 2.00 3.07 -0.81 -3.00 117.51 119.46 1b1g h ILE 73 Ca 0.00 0.00 -0.43 0.00 1.55 0.00 0.00 64.86 65.98 1b1g h ILE 73 Cb 0.28 0.95 -0.07 0.00 -0.27 0.00 0.00 36.82 37.72 1b1g h ILE 73 CO 0.00 0.00 -2.51 -1.20 -1.05 0.00 0.00 178.15 173.39 1b1g n SER 74 N -4.12 1.97 0.00 2.16 7.64 0.35 -4.95 113.62 116.68 1b1g n SER 74 Ca -0.01 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1b1g n SER 74 Cb 0.16 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1b1g n SER 74 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70