#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e8p n SER 2 N 0.00 2.38 -3.26 1.61 3.41 -1.26 -4.91 113.62 111.58 2e8p n SER 2 Ca 0.00 -2.70 -0.25 0.00 -0.26 0.00 0.00 58.87 55.66 2e8p n SER 2 Cb 0.00 -0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 63.46 2e8p n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2e8p n SER 3 N -0.48 0.37 -0.75 4.04 7.64 -1.26 -5.04 113.62 118.14 2e8p n SER 3 Ca 0.18 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.36 2e8p n SER 3 Cb 0.90 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2e8p n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e8p n GLY 4 N 1.66 -2.32 2.75 0.23 0.00 -1.26 -5.08 105.19 101.16 2e8p n GLY 4 Ca 0.23 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 2e8p n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2e8p n SER 5 N 0.00 -3.01 -1.18 1.61 2.88 -1.26 -5.13 113.62 107.53 2e8p n SER 5 Ca 0.00 -2.98 0.13 0.00 -1.33 0.00 0.00 58.87 54.69 2e8p n SER 5 Cb 0.00 1.71 -0.03 0.00 -0.75 0.00 0.00 64.21 65.14 2e8p n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2e8p n SER 6 N 2.22 -7.02 0.00 -3.46 7.64 -1.26 -5.02 113.62 106.71 2e8p n SER 6 Ca 0.12 1.02 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2e8p n SER 6 Cb 0.61 -2.92 0.00 0.00 -1.01 0.00 0.00 64.21 60.89 2e8p n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e8p n GLY 7 N -2.83 1.18 3.25 0.23 0.00 -1.26 -5.05 105.19 100.72 2e8p n GLY 7 Ca 0.01 0.49 -0.08 0.00 0.00 0.00 0.00 46.02 46.44 2e8p n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2e8p n GLN 8 N 0.00 -1.46 -2.51 1.61 -0.06 -1.26 -5.03 117.38 108.68 2e8p n GLN 8 Ca 0.00 1.23 -0.06 0.00 -2.00 0.00 0.00 57.00 56.17 2e8p n GLN 8 Cb 0.00 -5.10 -0.01 0.00 -4.06 0.00 0.00 30.24 21.07 2e8p n GLN 8 CO 0.00 0.00 0.00 -0.12 -0.20 0.00 0.00 177.06 176.74 2e8p n MET 9 N -2.26 0.25 -1.12 3.69 1.56 -1.26 -5.08 117.12 112.89 2e8p n MET 9 Ca -0.07 -1.06 -0.04 0.00 -0.27 0.00 0.00 57.70 56.26 2e8p n MET 9 Cb 0.55 1.00 -0.05 0.00 2.15 0.00 0.00 33.22 36.87 2e8p n MET 9 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 2e8p n SER 10 N -2.02 -0.55 -4.74 6.12 7.64 -1.26 -5.12 113.62 113.69 2e8p n SER 10 Ca 0.01 -2.00 -0.42 0.00 1.01 0.00 0.00 58.87 57.47 2e8p n SER 10 Cb 0.22 0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 2e8p n SER 10 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2e8p s LEU 11 N -0.02 4.38 -0.14 -3.43 0.05 -1.26 -4.99 118.68 113.26 2e8p s LEU 11 Ca 0.08 2.64 -0.30 0.00 0.05 0.00 0.00 54.13 56.59 2e8p s LEU 11 Cb 0.09 -3.61 0.13 0.00 -2.05 0.00 0.00 46.19 40.75 2e8p s LEU 11 CO -0.04 -0.74 1.02 -1.61 -0.55 0.00 0.00 176.35 174.43 2e8p s GLU 12 N 0.15 0.58 0.00 1.48 2.02 -1.26 -5.19 118.70 116.48 2e8p s GLU 12 Ca 0.63 0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.66 2e8p s GLU 12 Cb -0.42 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.08 2e8p s GLU 12 CO 0.39 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.88 2e8p n GLY 13 N 0.48 1.07 3.49 -1.39 0.00 -1.26 -5.16 105.19 102.41 2e8p n GLY 13 Ca -0.08 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2e8p n GLY 13 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2e8p s THR 14 N -2.23 -0.47 0.58 2.61 -1.32 -1.26 -5.18 115.64 108.37 2e8p s THR 14 Ca 0.00 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 2e8p s THR 14 Cb 0.00 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.09 2e8p s THR 14 CO 0.00 0.00 0.81 -0.62 -2.21 0.00 0.00 174.62 172.60 2e8p n GLU 15 N 4.81 0.53 -4.25 7.08 -0.58 -1.26 -5.14 120.64 121.83 2e8p n GLU 15 Ca -0.11 -3.01 -0.19 0.00 -0.42 0.00 0.00 57.16 53.43 2e8p n GLU 15 Cb 0.53 -0.28 -0.13 0.00 -0.57 0.00 0.00 31.44 30.99 2e8p n GLU 15 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2e8p s LYS 16 N -4.63 0.84 0.28 3.49 -0.14 -1.26 -5.13 119.74 113.20 2e8p s LYS 16 Ca 0.60 -0.82 -0.29 0.00 -1.36 0.00 0.00 55.97 54.10 2e8p s LYS 16 Cb -0.05 -0.83 -0.10 0.00 -1.68 0.00 0.00 37.83 35.17 2e8p s LYS 16 CO 0.38 0.20 1.28 0.00 -0.76 0.00 0.00 175.35 176.45 2e8p s ALA 17 N -1.04 3.50 0.29 5.17 0.00 -1.26 -4.89 121.76 123.53 2e8p s ALA 17 Ca -0.01 1.17 0.36 0.00 0.00 0.00 0.00 51.96 53.48 2e8p s ALA 17 Cb -0.09 -3.46 1.88 0.00 0.00 0.00 0.00 23.12 21.45 2e8p s ALA 17 CO 0.02 -0.54 2.09 0.77 0.00 0.00 0.00 175.76 178.10 2e8p h SER 18 N 4.06 0.00 -0.30 0.00 0.02 -1.97 0.03 113.55 115.39 2e8p h SER 18 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2e8p h SER 18 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2e8p h SER 18 CO 0.69 0.00 0.00 -2.67 -1.14 0.00 0.00 176.83 173.71 2e8p n TRP 19 N -2.81 0.89 -3.66 3.45 4.27 -1.26 -4.94 117.44 113.38 2e8p n TRP 19 Ca -0.02 -0.78 -0.37 0.00 -3.89 0.00 0.00 57.50 52.44 2e8p n TRP 19 Cb 0.10 -0.25 -0.11 0.00 -1.36 0.00 0.00 31.31 29.69 2e8p n TRP 19 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 2e8p s LEU 20 N -2.38 3.98 0.00 5.67 1.43 -0.01 -4.25 118.68 123.12 2e8p s LEU 20 Ca 0.38 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 2e8p s LEU 20 Cb 0.29 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.43 2e8p s LEU 20 CO 0.11 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.31 2e8p n GLY 21 N 4.66 2.49 3.31 -3.19 0.00 -1.26 -4.84 105.19 106.36 2e8p n GLY 21 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2e8p n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e8p s GLU 22 N -0.32 1.72 0.93 1.61 2.56 -1.26 -5.13 118.70 118.82 2e8p s GLU 22 Ca 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 54.97 53.85 2e8p s GLU 22 Cb 0.00 -1.84 0.15 0.00 2.00 0.00 0.00 34.13 34.44 2e8p s GLU 22 CO 0.00 0.48 1.11 1.04 -0.56 0.00 0.00 175.26 177.33 2e8p n GLN 23 N 1.94 -0.54 0.00 4.30 6.02 -1.26 -4.87 117.38 122.96 2e8p n GLN 23 Ca -0.17 -0.09 0.07 0.00 -0.01 0.00 0.00 57.00 56.80 2e8p n GLN 23 Cb 0.52 -2.35 0.32 0.00 1.02 0.00 0.00 30.24 29.76 2e8p n GLN 23 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2e8p n PRO 24 N -4.17 0.06 0.10 -1.09 -0.04 -1.26 -2.25 135.00 126.34 2e8p n PRO 24 Ca 0.11 0.22 0.03 0.00 -0.04 0.00 0.00 63.50 63.83 2e8p n PRO 24 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2e8p n PRO 24 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2e8p h GLN 25 N 0.00 0.00 -1.37 0.54 4.20 -1.90 -3.35 115.11 113.23 2e8p h GLN 25 Ca 0.00 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.06 2e8p h GLN 25 Cb 0.21 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 27.64 2e8p h GLN 25 CO 0.00 0.32 0.09 1.19 -0.67 0.00 0.00 178.83 179.75 2e8p n PHE 26 N -3.02 3.11 -3.76 2.96 3.01 -0.96 -3.04 117.46 115.78 2e8p n PHE 26 Ca -0.03 -2.68 -0.25 0.00 1.01 0.00 0.00 57.45 55.50 2e8p n PHE 26 Cb 0.74 -0.74 -0.02 0.00 -0.01 0.00 0.00 39.48 39.44 2e8p n PHE 26 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2e8p s TRP 27 N -3.76 3.48 0.36 1.38 0.52 -1.25 -4.84 118.94 114.82 2e8p s TRP 27 Ca 0.53 0.21 0.07 0.00 0.02 0.00 0.00 56.10 56.94 2e8p s TRP 27 Cb 0.44 -1.75 -0.01 0.00 -1.15 0.00 0.00 33.47 30.99 2e8p s TRP 27 CO -0.16 0.38 0.45 -1.12 0.02 0.00 0.00 176.95 176.52 2e8p s SER 28 N -3.53 5.67 0.54 2.95 0.01 -0.77 -2.96 113.70 115.61 2e8p s SER 28 Ca 0.37 -0.36 0.23 0.00 1.31 0.00 0.00 55.95 57.50 2e8p s SER 28 Cb -0.10 -0.97 1.40 0.00 0.21 0.00 0.00 66.02 66.55 2e8p s SER 28 CO 0.30 -0.52 2.05 0.11 0.41 0.00 0.00 173.24 175.59 2e8p h LYS 29 N 0.91 0.00 0.17 12.44 1.57 -1.77 -1.76 116.57 128.13 2e8p h LYS 29 Ca -0.44 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.06 2e8p h LYS 29 Cb 1.26 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.59 2e8p h LYS 29 CO 0.52 0.00 -1.36 1.15 -0.57 0.00 0.00 179.45 179.20 2e8p h THR 30 N 0.00 1.19 -0.39 -0.16 2.02 -1.89 -3.31 112.91 110.37 2e8p h THR 30 Ca 0.15 -2.53 0.06 0.00 0.77 0.00 0.00 66.41 64.86 2e8p h THR 30 Cb 0.64 2.93 -0.05 0.00 -1.74 0.00 0.00 68.15 69.93 2e8p h THR 30 CO -0.00 0.77 0.06 1.56 0.37 0.00 0.00 175.52 178.28 2e8p h GLN 31 N -0.12 0.18 0.13 6.66 4.20 -1.67 -0.03 115.11 124.46 2e8p h GLN 31 Ca -0.26 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2e8p h GLN 31 Cb 1.91 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.62 2e8p h GLN 31 CO 0.16 0.12 -0.34 0.28 -0.67 0.00 0.00 178.83 178.38 2e8p h VAL 32 N 0.18 0.00 -0.23 -0.54 2.07 -1.51 0.28 116.25 116.50 2e8p h VAL 32 Ca 0.19 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.78 2e8p h VAL 32 Cb 0.23 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2e8p h VAL 32 CO -0.26 0.00 0.24 -0.07 0.02 0.00 0.00 177.57 177.50 2e8p h LEU 33 N -0.52 0.00 -0.28 2.57 3.38 -1.61 0.21 115.31 119.06 2e8p h LEU 33 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2e8p h LEU 33 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2e8p h LEU 33 CO -0.15 0.00 -0.67 0.44 0.09 0.00 0.00 178.44 178.15 2e8p h ASP 34 N 0.00 0.00 0.71 -0.43 3.32 0.50 -3.22 116.42 117.29 2e8p h ASP 34 Ca 0.11 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.95 2e8p h ASP 34 Cb 0.59 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2e8p h ASP 34 CO -0.00 0.67 -0.95 -0.25 -1.72 0.00 0.00 179.24 176.99 2e8p h TRP 35 N 0.00 0.22 0.17 4.55 7.01 0.27 -3.30 115.95 124.88 2e8p h TRP 35 Ca -0.01 -0.14 -0.01 0.00 2.11 0.00 0.00 58.89 60.85 2e8p h TRP 35 Cb 1.39 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.43 2e8p h TRP 35 CO 0.00 1.00 -0.08 0.82 -2.79 0.00 0.00 178.44 177.39 2e8p h ILE 36 N 0.07 0.85 -0.94 2.65 2.04 -1.42 -2.50 117.51 118.25 2e8p h ILE 36 Ca -0.05 -0.08 0.21 0.00 1.00 0.00 0.00 64.86 65.94 2e8p h ILE 36 Cb 1.62 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 38.52 2e8p h ILE 36 CO 0.14 0.02 0.61 -1.28 0.00 0.00 0.00 178.15 177.64 2e8p h SER 37 N -0.27 0.49 -0.33 1.72 0.87 -1.65 0.30 113.55 114.69 2e8p h SER 37 Ca -0.02 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2e8p h SER 37 Cb 0.21 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2e8p h SER 37 CO 0.04 0.18 0.18 0.22 -0.53 0.00 0.00 176.83 176.92 2e8p h TYR 38 N 0.49 0.46 0.00 2.24 3.20 -1.53 0.12 116.97 121.95 2e8p h TYR 38 Ca 0.51 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.29 2e8p h TYR 38 Cb 1.15 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 2e8p h TYR 38 CO -0.00 0.38 -0.33 1.96 -1.64 0.00 0.00 178.16 178.53 2e8p h GLN 39 N 0.42 0.00 0.00 1.82 1.08 -0.83 -2.54 115.11 115.05 2e8p h GLN 39 Ca 0.12 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.17 2e8p h GLN 39 Cb 0.07 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2e8p h GLN 39 CO -0.02 0.33 -0.71 0.28 -0.95 0.00 0.00 178.83 177.76 2e8p h VAL 40 N 0.00 1.26 0.00 -0.54 2.07 -0.06 -2.07 116.25 116.90 2e8p h VAL 40 Ca -0.00 -2.66 -0.16 0.00 0.82 0.00 0.00 66.70 64.69 2e8p h VAL 40 Cb 1.09 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 33.38 2e8p h VAL 40 CO 0.04 0.69 -1.13 -0.08 0.02 0.00 0.00 177.57 177.11 2e8p h GLU 41 N 0.00 0.00 0.01 1.57 4.57 -0.72 -2.17 114.58 117.84 2e8p h GLU 41 Ca -0.01 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2e8p h GLU 41 Cb 1.49 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.07 2e8p h GLU 41 CO 0.09 0.42 -0.24 -0.22 -1.18 0.00 0.00 179.01 177.88 2e8p h LYS 42 N 0.00 0.03 0.00 1.92 3.64 -1.49 -3.29 116.57 117.38 2e8p h LYS 42 Ca -0.11 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2e8p h LYS 42 Cb 1.57 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 2e8p h LYS 42 CO 0.06 1.02 0.00 0.09 -2.27 0.00 0.00 179.45 178.35 2e8p n ASN 43 N -4.54 0.00 -2.44 4.20 3.02 -0.78 -4.87 115.26 109.85 2e8p n ASN 43 Ca -0.13 0.42 -0.18 0.00 -0.03 0.00 0.00 54.58 54.65 2e8p n ASN 43 Cb 0.54 -0.46 0.02 0.00 -0.61 0.00 0.00 39.78 39.27 2e8p n ASN 43 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2e8p n LYS 44 N -1.46 -3.60 -2.30 3.52 5.02 -1.15 -4.96 118.16 113.24 2e8p n LYS 44 Ca 0.05 0.78 -0.40 0.00 -2.02 0.00 0.00 58.31 56.72 2e8p n LYS 44 Cb 0.20 -5.31 -0.03 0.00 -0.02 0.00 0.00 35.03 29.87 2e8p n LYS 44 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2e8p s TYR 45 N -3.04 3.29 0.47 2.13 5.04 -0.83 -4.90 117.35 119.51 2e8p s TYR 45 Ca 0.21 1.56 0.23 0.00 -2.44 0.00 0.00 57.07 56.63 2e8p s TYR 45 Cb -0.09 -3.47 1.24 0.00 0.35 0.00 0.00 41.96 40.00 2e8p s TYR 45 CO 0.26 -1.20 1.88 0.22 -1.34 0.00 0.00 175.55 175.37 2e8p h ASP 46 N 3.48 0.24 -1.78 4.32 1.82 -1.93 -3.45 116.42 119.12 2e8p h ASP 46 Ca -0.48 0.03 -0.38 0.00 -0.39 0.00 0.00 57.03 55.81 2e8p h ASP 46 Cb 1.22 -0.02 -0.08 0.00 0.68 0.00 0.00 39.33 41.13 2e8p h ASP 46 CO 0.66 0.09 -0.41 0.00 -1.61 0.00 0.00 179.24 177.97 2e8p n ALA 47 N -2.59 -0.42 -1.52 -0.78 0.00 -1.26 -4.87 120.51 109.07 2e8p n ALA 47 Ca 0.18 0.22 -0.17 0.00 0.00 0.00 0.00 53.44 53.68 2e8p n ALA 47 Cb 0.78 -1.95 0.14 0.00 0.00 0.00 0.00 19.45 18.41 2e8p n ALA 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2e8p n SER 48 N -1.28 4.12 0.00 0.00 2.88 -1.26 -4.55 113.62 113.53 2e8p n SER 48 Ca -0.20 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.57 2e8p n SER 48 Cb 0.64 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 2e8p n SER 48 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2e8p n ALA 49 N -1.01 1.62 -1.63 -1.46 0.00 -1.26 -5.10 120.51 111.68 2e8p n ALA 49 Ca 0.45 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 53.41 2e8p n ALA 49 Cb 1.03 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.44 2e8p n ALA 49 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2e8p n ILE 50 N -1.71 0.50 -3.44 0.00 5.41 -1.26 -4.74 119.36 114.12 2e8p n ILE 50 Ca 0.00 -0.13 -0.43 0.00 1.00 0.00 0.00 62.75 63.20 2e8p n ILE 50 Cb 0.00 -1.17 -0.03 0.00 -0.71 0.00 0.00 39.64 37.73 2e8p n ILE 50 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2e8p s ASP 51 N 0.40 6.67 0.56 4.38 1.11 -0.94 -4.88 116.67 123.97 2e8p s ASP 51 Ca 0.76 -3.30 0.28 0.00 0.18 0.00 0.00 52.55 50.46 2e8p s ASP 51 Cb -0.78 -2.11 1.48 0.00 1.07 0.00 0.00 42.92 42.58 2e8p s ASP 51 CO 0.47 -0.35 1.98 -0.26 1.18 0.00 0.00 175.17 178.18 2e8p h PHE 52 N 6.87 0.00 0.00 4.23 0.04 -1.91 0.24 116.94 126.41 2e8p h PHE 52 Ca 0.13 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 2e8p h PHE 52 Cb 0.91 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.06 2e8p h PHE 52 CO 0.82 0.00 -0.11 0.77 -0.60 0.00 0.00 178.31 179.19 2e8p h SER 53 N 0.00 0.00 1.00 2.17 0.02 -1.95 -1.85 113.55 112.94 2e8p h SER 53 Ca 0.22 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.01 2e8p h SER 53 Cb 1.02 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 2e8p h SER 53 CO -0.00 0.11 -1.07 0.03 -1.14 0.00 0.00 176.83 174.76 2e8p h ARG 54 N 0.00 0.00 -4.97 3.45 2.47 -0.87 -3.40 114.38 111.05 2e8p h ARG 54 Ca -0.00 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.14 2e8p h ARG 54 Cb 0.23 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 2e8p h ARG 54 CO 0.01 0.46 2.10 0.00 0.56 0.00 0.00 179.97 183.10 2e8p n ASP 56 N 9.37 3.15 -4.69 0.00 -0.08 -1.26 -4.87 116.55 118.17 2e8p n ASP 56 Ca 0.49 -1.98 -0.42 0.00 -1.51 0.00 0.00 54.79 51.37 2e8p n ASP 56 Cb 0.43 -0.36 -0.03 0.00 2.34 0.00 0.00 41.12 43.51 2e8p n ASP 56 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 2e8p s MET 57 N -1.29 4.27 -0.05 -0.67 -1.94 -1.26 -4.93 119.30 113.44 2e8p s MET 57 Ca 0.40 2.02 -0.25 0.00 -1.71 0.00 0.00 55.69 56.15 2e8p s MET 57 Cb 0.21 -3.56 -0.22 0.00 2.01 0.00 0.00 34.83 33.27 2e8p s MET 57 CO 0.28 -0.59 1.08 0.38 -0.01 0.00 0.00 175.02 176.16 2e8p h ASP 58 N 7.85 0.17 0.00 3.03 2.03 -1.85 -3.41 116.42 124.24 2e8p h ASP 58 Ca -0.39 -0.72 0.00 0.00 -0.73 0.00 0.00 57.03 55.20 2e8p h ASP 58 Cb 1.18 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 2e8p h ASP 58 CO 0.90 0.86 0.00 0.61 -1.03 0.00 0.00 179.24 180.58 2e8p n GLY 59 N 0.87 -1.18 0.25 7.15 0.00 -1.16 -1.85 105.19 109.27 2e8p n GLY 59 Ca -0.09 0.47 0.04 0.00 0.00 0.00 0.00 46.02 46.44 2e8p n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e8p h ALA 60 N 0.00 1.62 -0.01 4.61 0.00 -1.70 -2.10 119.26 121.68 2e8p h ALA 60 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2e8p h ALA 60 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2e8p h ALA 60 CO 0.00 0.28 -0.63 1.15 0.00 0.00 0.00 179.25 180.05 2e8p h THR 61 N 0.20 1.44 -0.27 0.00 2.02 -1.91 -2.45 112.91 111.95 2e8p h THR 61 Ca 0.04 -2.13 -0.03 0.00 0.77 0.00 0.00 66.41 65.06 2e8p h THR 61 Cb 0.27 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 2e8p h THR 61 CO 0.01 0.61 0.05 0.25 0.37 0.00 0.00 175.52 176.82 2e8p h LEU 62 N 0.02 0.41 -0.96 2.58 5.85 -1.71 0.24 115.31 121.75 2e8p h LEU 62 Ca -0.01 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.38 2e8p h LEU 62 Cb 1.11 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2e8p h LEU 62 CO 0.08 0.56 -0.41 0.00 -0.34 0.00 0.00 178.44 178.34 2e8p h ASN 64 N 0.00 0.00 -2.48 0.00 2.35 -1.18 -3.47 115.58 110.81 2e8p h ASN 64 Ca -0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 2e8p h ASN 64 Cb 0.90 0.00 0.23 0.00 0.05 0.00 0.00 38.32 39.50 2e8p h ASN 64 CO 0.05 0.64 -1.01 0.00 -1.65 0.00 0.00 177.43 175.46 2e8p s ALA 66 N -2.26 3.53 0.09 0.00 0.00 -1.26 -5.00 121.76 116.86 2e8p s ALA 66 Ca 0.56 -1.37 -0.33 0.00 0.00 0.00 0.00 51.96 50.82 2e8p s ALA 66 Cb -0.13 -1.27 -0.14 0.00 0.00 0.00 0.00 23.12 21.57 2e8p s ALA 66 CO 0.66 0.34 1.52 1.25 0.00 0.00 0.00 175.76 179.54 2e8p h LEU 67 N 1.87 -1.47 -1.84 0.00 5.85 -1.98 -0.33 115.31 117.41 2e8p h LEU 67 Ca -0.48 0.15 0.23 0.00 0.84 0.00 0.00 57.88 58.62 2e8p h LEU 67 Cb 1.23 0.53 -0.04 0.00 0.37 0.00 0.00 40.66 42.74 2e8p h LEU 67 CO 0.61 -0.55 0.60 1.05 -0.34 0.00 0.00 178.44 179.81 2e8p h GLU 68 N -0.77 0.13 0.30 1.25 4.11 -1.99 -1.30 114.58 116.32 2e8p h GLU 68 Ca -0.02 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 2e8p h GLU 68 Cb 0.74 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2e8p h GLU 68 CO -0.22 0.08 -0.15 0.93 0.07 0.00 0.00 179.01 179.72 2e8p h GLU 69 N 0.13 -0.39 -0.18 1.06 5.08 -1.51 -2.35 114.58 116.42 2e8p h GLU 69 Ca 0.42 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.86 2e8p h GLU 69 Cb 1.45 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 2e8p h GLU 69 CO -0.06 -0.10 0.19 -0.07 -1.00 0.00 0.00 179.01 177.96 2e8p h LEU 70 N -0.69 0.00 -0.08 1.33 3.38 -0.10 0.27 115.31 119.42 2e8p h LEU 70 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2e8p h LEU 70 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2e8p h LEU 70 CO 0.07 0.00 -0.17 0.03 0.09 0.00 0.00 178.44 178.46 2e8p h ARG 71 N 0.00 0.00 0.00 1.13 3.08 -1.16 -0.37 114.38 117.07 2e8p h ARG 71 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2e8p h ARG 71 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2e8p h ARG 71 CO -0.00 0.17 -1.03 1.28 -1.07 0.00 0.00 179.97 179.32 2e8p n LEU 72 N -3.15 0.63 -0.08 3.04 4.77 0.83 -1.99 117.00 121.05 2e8p n LEU 72 Ca 0.03 0.11 -0.06 0.00 -0.03 0.00 0.00 56.01 56.06 2e8p n LEU 72 Cb 0.59 -0.10 -0.15 0.00 -2.33 0.00 0.00 43.42 41.43 2e8p n LEU 72 CO 0.36 -0.03 -1.06 0.52 -1.33 0.00 0.00 177.39 175.85 2e8p n VAL 73 N -2.18 1.09 -1.34 4.08 0.31 -0.47 -4.47 118.33 115.35 2e8p n VAL 73 Ca 0.01 -0.75 0.08 0.00 -0.01 0.00 0.00 64.34 63.67 2e8p n VAL 73 Cb 0.47 -0.41 0.15 0.00 -0.91 0.00 0.00 33.84 33.15 2e8p n VAL 73 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2e8p n PHE 74 N -2.62 0.00 -4.90 3.52 3.72 -0.15 -2.21 117.46 114.82 2e8p n PHE 74 Ca -0.26 -1.11 0.00 0.00 -0.05 0.00 0.00 57.45 56.02 2e8p n PHE 74 Cb 1.02 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.38 2e8p n PHE 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2e8p n GLY 75 N -1.21 1.04 0.00 1.37 0.00 -0.84 -2.33 105.19 103.22 2e8p n GLY 75 Ca 0.16 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.65 2e8p n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2e8p n PRO 76 N 0.00 0.15 0.18 1.61 -0.04 -1.26 -2.48 135.00 133.17 2e8p n PRO 76 Ca 0.00 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.69 2e8p n PRO 76 Cb 0.00 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.22 2e8p n PRO 76 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2e8p h LEU 77 N 0.00 0.00 -1.12 1.53 5.85 -1.78 -3.22 115.31 116.56 2e8p h LEU 77 Ca 0.00 0.00 0.18 0.00 0.84 0.00 0.00 57.88 58.90 2e8p h LEU 77 Cb 0.17 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 2e8p h LEU 77 CO 0.00 0.38 0.61 1.23 -0.34 0.00 0.00 178.44 180.32 2e8p h GLY 78 N 2.60 1.55 0.74 3.75 0.00 -1.50 0.18 103.07 110.39 2e8p h GLY 78 Ca -0.00 -0.33 0.17 0.00 0.00 0.00 0.00 47.33 47.16 2e8p h GLY 78 CO 0.05 -0.01 0.46 -1.80 0.00 0.00 0.00 176.54 175.24 2e8p h ASP 79 N 0.73 0.00 0.10 0.19 3.58 -1.80 0.20 116.42 119.42 2e8p h ASP 79 Ca 0.54 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.65 2e8p h ASP 79 Cb 0.89 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 2e8p h ASP 79 CO -0.31 0.00 -1.84 0.00 -2.88 0.00 0.00 179.24 174.21 2e8p n GLN 80 N -4.13 0.72 -0.15 0.28 1.13 0.57 -3.95 117.38 111.85 2e8p n GLN 80 Ca 0.11 0.33 -0.08 0.00 -1.94 0.00 0.00 57.00 55.42 2e8p n GLN 80 Cb 0.70 -1.72 0.01 0.00 0.11 0.00 0.00 30.24 29.34 2e8p n GLN 80 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2e8p h LEU 81 N -0.16 0.53 -0.32 1.08 3.38 -0.49 -2.87 115.31 116.46 2e8p h LEU 81 Ca -0.41 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.59 2e8p h LEU 81 Cb 1.88 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 42.43 2e8p h LEU 81 CO 0.03 0.42 -0.16 -0.74 0.09 0.00 0.00 178.44 178.08 2e8p h HIS 82 N 0.59 -0.38 -0.85 1.13 2.76 -0.83 0.68 115.15 118.24 2e8p h HIS 82 Ca 0.16 0.04 0.19 0.00 -2.20 0.00 0.00 60.37 58.55 2e8p h HIS 82 Cb -0.02 0.22 -0.06 0.00 1.55 0.00 0.00 27.41 29.10 2e8p h HIS 82 CO -0.03 -0.23 0.57 0.00 -1.30 0.00 0.00 177.93 176.93 2e8p h ALA 83 N 1.13 2.21 0.07 5.26 0.00 -1.63 0.31 119.26 126.61 2e8p h ALA 83 Ca 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2e8p h ALA 83 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2e8p h ALA 83 CO -0.39 -0.47 -0.03 1.96 0.00 0.00 0.00 179.25 180.33 2e8p h GLN 84 N 0.39 -0.09 -0.21 0.00 1.08 -0.81 -3.15 115.11 112.32 2e8p h GLN 84 Ca 0.43 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.70 2e8p h GLN 84 Cb 1.09 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 2e8p h GLN 84 CO -0.15 0.50 0.20 -0.07 -0.95 0.00 0.00 178.83 178.36 2e8p h LEU 85 N -0.84 0.00 -0.75 1.46 3.38 -0.28 0.19 115.31 118.46 2e8p h LEU 85 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2e8p h LEU 85 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2e8p h LEU 85 CO 0.01 0.00 -0.43 0.03 0.09 0.00 0.00 178.44 178.15 2e8p h ARG 86 N 0.00 0.00 0.17 1.13 3.08 -0.98 -3.19 114.38 114.59 2e8p h ARG 86 Ca 0.10 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.80 2e8p h ARG 86 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2e8p h ARG 86 CO -0.00 0.43 -1.74 -0.44 -1.07 0.00 0.00 179.97 177.14 2e8p h ASP 87 N 0.00 0.57 -0.98 7.04 5.19 -0.63 -2.56 116.42 125.06 2e8p h ASP 87 Ca -0.00 -0.87 0.17 0.00 -0.62 0.00 0.00 57.03 55.70 2e8p h ASP 87 Cb 1.01 -0.19 -0.09 0.00 0.18 0.00 0.00 39.33 40.25 2e8p h ASP 87 CO 0.06 1.74 0.61 -0.07 -3.12 0.00 0.00 179.24 178.46 2e8p h LEU 88 N 0.10 0.76 0.00 1.55 3.38 -1.27 -3.20 115.31 116.62 2e8p h LEU 88 Ca -0.34 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2e8p h LEU 88 Cb 2.09 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.76 2e8p h LEU 88 CO 0.17 0.33 -0.12 0.71 0.09 0.00 0.00 178.44 179.62 2e8p h THR 89 N 0.77 0.00 -1.75 0.22 1.35 -1.68 -3.44 112.91 108.39 2e8p h THR 89 Ca 0.52 -0.29 -0.65 0.00 -0.55 0.00 0.00 66.41 65.44 2e8p h THR 89 Cb 0.80 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 67.08 2e8p h THR 89 CO -0.29 0.00 1.22 -0.55 -0.25 0.00 0.00 175.52 175.65 2e8p s SER 90 N -4.09 6.60 -0.23 5.36 0.15 -0.96 -4.99 113.70 115.54 2e8p s SER 90 Ca -0.04 -1.85 -0.12 0.00 0.70 0.00 0.00 55.95 54.65 2e8p s SER 90 Cb 0.00 -2.48 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 2e8p s SER 90 CO 0.05 -1.25 0.23 -0.55 1.20 0.00 0.00 173.24 172.92 2e8p s SER 91 N 4.22 6.21 0.00 5.45 0.15 -1.21 -4.41 113.70 124.11 2e8p s SER 91 Ca 0.40 0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.28 2e8p s SER 91 Cb -0.02 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2e8p s SER 91 CO -0.08 0.02 0.00 -1.20 1.20 0.00 0.00 173.24 173.18