#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 2.72 0.00 1.61 2.88 -1.26 -4.86 113.62 114.71 2e8p n SER 2 Ca 0.00 -3.58 0.00 0.00 -1.33 0.00 0.00 58.87 53.96 2e8p n SER 2 Cb 0.00 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 2e8p n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2e8p n SER 3 N -1.02 0.00 0.00 -3.46 3.41 -1.26 -5.07 113.62 106.22 2e8p n SER 3 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2e8p n SER 3 Cb 0.97 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 2e8p n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e8p n GLY 4 N -1.27 1.66 3.04 5.00 0.00 -1.26 -5.01 105.19 107.34 2e8p n GLY 4 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 -6.91 -4.10 1.61 2.88 -1.26 -5.05 113.62 100.79 2e8p n SER 5 Ca 0.00 -0.35 -0.11 0.00 -1.33 0.00 0.00 58.87 57.09 2e8p n SER 5 Cb 0.00 -4.97 -0.08 0.00 -0.75 0.00 0.00 64.21 58.42 2e8p n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2e8p s SER 6 N -3.13 0.05 0.00 -3.46 0.01 -1.26 -5.17 113.70 100.73 2e8p s SER 6 Ca 0.20 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2e8p s SER 6 Cb -0.03 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2e8p s SER 6 CO 0.69 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2e8p n GLY 7 N -0.31 4.88 3.54 3.44 0.00 -1.26 -5.13 105.19 110.35 2e8p n GLY 7 Ca -0.00 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 2e8p n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2e8p n GLN 8 N 0.00 -0.67 -2.74 1.61 3.00 -1.26 -4.98 117.38 112.34 2e8p n GLN 8 Ca 0.00 -0.14 -0.04 0.00 -0.01 0.00 0.00 57.00 56.81 2e8p n GLN 8 Cb 0.00 -2.14 0.07 0.00 0.00 0.00 0.00 30.24 28.18 2e8p n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2e8p n MET 9 N -3.30 1.42 -1.97 -1.09 0.00 -1.26 -4.90 117.12 106.03 2e8p n MET 9 Ca 0.09 -2.66 0.02 0.00 0.00 0.00 0.00 57.70 55.15 2e8p n MET 9 Cb 0.53 -0.81 0.04 0.00 0.00 0.00 0.00 33.22 32.98 2e8p n MET 9 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2e8p n SER 10 N -0.69 1.29 -0.03 3.17 7.64 -1.26 -4.81 113.62 118.93 2e8p n SER 10 Ca 0.00 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 57.79 2e8p n SER 10 Cb 0.83 -0.37 -0.09 0.00 -1.01 0.00 0.00 64.21 63.57 2e8p n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2e8p n LEU 11 N 0.04 0.00 -4.66 -3.43 -0.00 -1.26 -4.96 117.00 102.72 2e8p n LEU 11 Ca 0.07 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.66 2e8p n LEU 11 Cb 1.01 0.14 -0.03 0.00 -0.00 0.00 0.00 43.42 44.54 2e8p n LEU 11 CO 0.01 0.14 1.28 -1.61 -0.00 0.00 0.00 177.39 177.20 2e8p s GLU 12 N -2.57 4.20 0.00 1.47 8.01 -1.26 -4.93 118.70 123.62 2e8p s GLU 12 Ca -0.05 2.05 0.00 0.00 0.01 0.00 0.00 54.97 56.98 2e8p s GLU 12 Cb 0.06 -3.87 0.00 0.00 -4.31 0.00 0.00 34.13 26.00 2e8p s GLU 12 CO 0.49 -0.78 0.00 0.41 0.01 0.00 0.00 175.26 175.39 2e8p n GLY 13 N 3.95 1.16 3.63 -1.39 0.00 -1.26 -5.18 105.19 106.10 2e8p n GLY 13 Ca 0.16 0.51 -0.11 0.00 0.00 0.00 0.00 46.02 46.58 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 0.00 0.00 -0.09 2.61 -1.32 -1.26 -5.16 115.64 110.42 2e8p s THR 14 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 2e8p s THR 14 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 2e8p s THR 14 CO 0.00 0.00 -0.19 -0.70 -2.21 0.00 0.00 174.62 171.52 2e8p s GLU 15 N 0.20 2.88 0.35 7.08 2.56 -1.26 -5.05 118.70 125.46 2e8p s GLU 15 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 54.97 54.19 2e8p s GLU 15 Cb -0.05 -2.37 0.00 0.00 2.00 0.00 0.00 34.13 33.71 2e8p s GLU 15 CO -0.03 0.35 0.00 1.63 -0.56 0.00 0.00 175.26 176.65 2e8p n LYS 16 N 3.09 -2.86 -4.70 4.30 4.76 -1.26 -4.89 118.16 116.60 2e8p n LYS 16 Ca -0.18 1.88 -0.24 0.00 -2.87 0.00 0.00 58.31 56.90 2e8p n LYS 16 Cb 0.52 -3.49 -0.16 0.00 -1.84 0.00 0.00 35.03 30.07 2e8p n LYS 16 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2e8p s ALA 17 N -2.21 1.32 0.41 7.82 0.00 -1.26 -5.01 121.76 122.84 2e8p s ALA 17 Ca 0.00 -0.59 0.39 0.00 0.00 0.00 0.00 51.96 51.75 2e8p s ALA 17 Cb 0.00 -0.44 2.05 0.00 0.00 0.00 0.00 23.12 24.73 2e8p s ALA 17 CO 0.00 0.24 2.18 1.03 0.00 0.00 0.00 175.76 179.22 2e8p h SER 18 N 6.23 0.00 -0.29 0.00 0.87 -1.96 0.17 113.55 118.58 2e8p h SER 18 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2e8p h SER 18 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2e8p h SER 18 CO 0.48 0.00 0.00 -2.67 -0.53 0.00 0.00 176.83 174.11 2e8p n TRP 19 N -2.90 0.90 -3.74 2.24 4.27 -1.26 -4.92 117.44 112.02 2e8p n TRP 19 Ca -0.02 -0.80 -0.37 0.00 -3.89 0.00 0.00 57.50 52.42 2e8p n TRP 19 Cb 0.09 -0.27 -0.11 0.00 -1.36 0.00 0.00 31.31 29.66 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 -2.48 3.76 0.00 5.67 1.43 0.05 -4.31 118.68 122.79 2e8p s LEU 20 Ca 0.39 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 2e8p s LEU 20 Cb 0.30 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.51 2e8p s LEU 20 CO 0.10 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.30 2e8p n GLY 21 N 4.66 2.48 3.30 -3.19 0.00 -1.26 -4.82 105.19 106.37 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 -0.33 1.73 0.93 1.61 2.56 -1.26 -5.13 118.70 118.81 2e8p s GLU 22 Ca 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 54.97 53.86 2e8p s GLU 22 Cb 0.00 -1.83 0.15 0.00 2.00 0.00 0.00 34.13 34.45 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 1.97 -0.54 0.00 4.30 6.02 -1.26 -4.87 117.38 122.99 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 -2.34 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 0.07 0.10 -1.09 -0.04 -1.26 -2.24 135.00 126.37 2e8p n PRO 24 Ca 0.11 0.22 0.04 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 32.48 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 -1.36 0.54 4.20 -1.90 -3.35 115.11 113.25 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 0.30 0.08 1.19 -0.67 0.00 0.00 178.83 179.73 2e8p n PHE 26 N -3.00 3.11 -3.75 2.96 3.01 -0.95 -3.01 117.46 115.82 2e8p n PHE 26 Ca -0.02 -2.68 -0.26 0.00 1.01 0.00 0.00 57.45 55.50 2e8p n PHE 26 Cb 0.73 -0.74 -0.03 0.00 -0.01 0.00 0.00 39.48 39.43 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 0.38 1.38 0.52 -1.25 -4.84 118.94 114.84 2e8p s TRP 27 Ca 0.53 0.24 0.07 0.00 0.02 0.00 0.00 56.10 56.97 2e8p s TRP 27 Cb 0.44 -1.78 -0.01 0.00 -1.15 0.00 0.00 33.47 30.97 2e8p s TRP 27 CO -0.16 0.39 0.47 0.45 0.02 0.00 0.00 176.95 178.12 2e8p s SER 28 N -3.40 5.66 0.55 2.95 0.15 -0.76 -2.83 113.70 116.02 2e8p s SER 28 Ca 0.37 -0.38 0.25 0.00 0.70 0.00 0.00 55.95 56.89 2e8p s SER 28 Cb -0.11 -0.91 1.47 0.00 -1.71 0.00 0.00 66.02 64.77 2e8p s SER 28 CO 0.30 -0.57 2.07 0.11 1.20 0.00 0.00 173.24 176.34 2e8p h LYS 29 N 0.86 0.00 0.12 5.44 1.57 -1.77 -1.95 116.57 120.84 2e8p h LYS 29 Ca -0.43 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.10 2e8p h LYS 29 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2e8p h LYS 29 CO 0.51 0.00 -1.22 1.15 -0.57 0.00 0.00 179.45 179.32 2e8p h THR 30 N 0.00 1.18 -0.60 -0.16 2.02 -1.89 -3.33 112.91 110.13 2e8p h THR 30 Ca 0.13 -2.44 0.10 0.00 0.77 0.00 0.00 66.41 64.97 2e8p h THR 30 Cb 0.60 2.86 -0.08 0.00 -1.74 0.00 0.00 68.15 69.79 2e8p h THR 30 CO -0.00 0.70 0.18 1.56 0.37 0.00 0.00 175.52 178.33 2e8p h GLN 31 N -0.34 0.33 0.08 6.66 4.20 -1.70 -0.37 115.11 123.98 2e8p h GLN 31 Ca -0.25 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2e8p h GLN 31 Cb 1.72 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.41 2e8p h GLN 31 CO 0.08 0.22 -0.21 0.28 -0.67 0.00 0.00 178.83 178.53 2e8p h VAL 32 N 0.34 0.00 -0.63 -0.54 2.07 -1.53 0.17 116.25 116.13 2e8p h VAL 32 Ca 0.31 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.01 2e8p h VAL 32 Cb 0.41 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 2e8p h VAL 32 CO -0.34 0.00 0.46 -0.07 0.02 0.00 0.00 177.57 177.63 2e8p h LEU 33 N -0.32 0.00 -0.70 2.57 3.38 -1.62 0.23 115.31 118.84 2e8p h LEU 33 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2e8p h LEU 33 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2e8p h LEU 33 CO -0.09 0.00 -0.52 0.44 0.09 0.00 0.00 178.44 178.36 2e8p h ASP 34 N 0.00 0.38 0.58 -0.43 3.32 0.05 -3.03 116.42 117.29 2e8p h ASP 34 Ca 0.30 -0.19 -0.18 0.00 0.02 0.00 0.00 57.03 56.98 2e8p h ASP 34 Cb 1.21 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2e8p h ASP 34 CO -0.00 0.83 -0.79 -0.25 -1.72 0.00 0.00 179.24 177.30 2e8p h TRP 35 N 0.27 0.23 0.20 4.55 7.01 0.23 -3.28 115.95 125.16 2e8p h TRP 35 Ca 0.01 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 60.88 2e8p h TRP 35 Cb 1.00 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.03 2e8p h TRP 35 CO 0.03 0.88 -0.09 0.82 -2.79 0.00 0.00 178.44 177.29 2e8p h ILE 36 N 0.10 0.83 -0.94 2.65 2.04 -1.23 -2.51 117.51 118.44 2e8p h ILE 36 Ca -0.03 -0.08 0.21 0.00 1.00 0.00 0.00 64.86 65.96 2e8p h ILE 36 Cb 1.38 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 38.27 2e8p h ILE 36 CO 0.12 0.02 0.61 -1.28 0.00 0.00 0.00 178.15 177.62 2e8p h SER 37 N -0.30 0.47 -0.33 1.72 0.87 -1.61 0.30 113.55 114.68 2e8p h SER 37 Ca -0.03 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2e8p h SER 37 Cb 0.23 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 2e8p h SER 37 CO 0.04 0.17 0.17 0.22 -0.53 0.00 0.00 176.83 176.90 2e8p h TYR 38 N 0.46 0.46 0.00 2.24 3.20 -1.51 0.77 116.97 122.60 2e8p h TYR 38 Ca 0.51 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.30 2e8p h TYR 38 Cb 1.18 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 2e8p h TYR 38 CO -0.00 0.39 -0.26 1.96 -1.64 0.00 0.00 178.16 178.61 2e8p h GLN 39 N 0.40 0.00 0.00 1.82 1.08 -0.82 -2.13 115.11 115.46 2e8p h GLN 39 Ca 0.11 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.16 2e8p h GLN 39 Cb 0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 2e8p h GLN 39 CO -0.02 0.26 -0.72 0.28 -0.95 0.00 0.00 178.83 177.68 2e8p h VAL 40 N 0.00 1.29 0.00 -0.54 2.07 -0.08 -2.99 116.25 115.99 2e8p h VAL 40 Ca -0.00 -2.71 -0.15 0.00 0.82 0.00 0.00 66.70 64.66 2e8p h VAL 40 Cb 1.05 2.56 -0.03 0.00 -1.52 0.00 0.00 31.29 33.36 2e8p h VAL 40 CO 0.03 0.71 -1.37 -0.08 0.02 0.00 0.00 177.57 176.89 2e8p h GLU 41 N 0.00 0.00 -0.01 1.57 4.57 -0.80 -1.52 114.58 118.38 2e8p h GLU 41 Ca -0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2e8p h GLU 41 Cb 1.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.09 2e8p h GLU 41 CO 0.09 0.27 -0.01 -0.22 -1.18 0.00 0.00 179.01 177.96 2e8p h LYS 42 N 0.00 0.02 -0.00 1.92 1.63 -1.43 -3.09 116.57 115.62 2e8p h LYS 42 Ca -0.15 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 2e8p h LYS 42 Cb 1.54 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.17 2e8p h LYS 42 CO 0.04 0.58 -0.00 0.09 -3.45 0.00 0.00 179.45 176.71 2e8p n ASN 43 N -4.80 0.23 -1.41 4.20 3.02 -1.13 -4.88 115.26 110.50 2e8p n ASN 43 Ca -0.09 -1.01 -0.18 0.00 -0.03 0.00 0.00 54.58 53.28 2e8p n ASN 43 Cb 0.29 -0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.38 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 -0.84 -1.24 -1.66 3.52 5.02 -1.17 -4.91 118.16 116.88 2e8p n LYS 44 Ca 0.22 1.09 -0.45 0.00 -2.02 0.00 0.00 58.31 57.15 2e8p n LYS 44 Cb 0.16 -5.36 -0.03 0.00 -0.02 0.00 0.00 35.03 29.78 2e8p n LYS 44 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2e8p n TYR 45 N -2.64 2.11 -0.16 2.13 9.36 -0.58 -4.83 117.16 122.55 2e8p n TYR 45 Ca -0.18 0.42 0.25 0.00 3.32 0.00 0.00 57.90 61.71 2e8p n TYR 45 Cb 0.58 -2.46 0.67 0.00 -0.63 0.00 0.00 39.34 37.50 2e8p n TYR 45 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 2e8p h ASP 46 N 4.54 0.09 -1.69 2.98 1.82 -1.91 -3.45 116.42 118.80 2e8p h ASP 46 Ca -0.45 0.01 -0.35 0.00 -0.39 0.00 0.00 57.03 55.85 2e8p h ASP 46 Cb 1.28 -0.01 -0.07 0.00 0.68 0.00 0.00 39.33 41.20 2e8p h ASP 46 CO 0.78 0.04 -0.39 0.00 -1.61 0.00 0.00 179.24 178.06 2e8p n ALA 47 N -2.66 -0.39 -1.22 -0.78 0.00 -1.26 -4.87 120.51 109.33 2e8p n ALA 47 Ca 0.17 0.21 -0.07 0.00 0.00 0.00 0.00 53.44 53.75 2e8p n ALA 47 Cb 0.84 -1.85 0.23 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.06 3.60 0.00 0.00 2.88 -1.26 -4.47 113.62 113.31 2e8p n SER 48 Ca -0.19 -3.47 0.00 0.00 -1.33 0.00 0.00 58.87 53.88 2e8p n SER 48 Cb 0.61 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 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 -0.78 2.09 -1.65 -1.46 0.00 -1.26 -5.09 120.51 112.36 2e8p n ALA 49 Ca 0.39 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 2e8p n ALA 49 Cb 1.24 0.13 0.01 0.00 0.00 0.00 0.00 19.45 20.84 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 -1.84 2.50 -3.61 0.00 5.41 -1.26 -4.72 119.36 115.83 2e8p n ILE 50 Ca 0.00 -0.50 -0.38 0.00 1.00 0.00 0.00 62.75 62.87 2e8p n ILE 50 Cb 0.13 -1.34 -0.07 0.00 -0.71 0.00 0.00 39.64 37.66 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 -0.64 5.93 0.44 4.38 1.01 -0.93 -4.90 116.67 121.96 2e8p s ASP 51 Ca 0.62 -3.34 0.17 0.00 0.71 0.00 0.00 52.55 50.71 2e8p s ASP 51 Cb -0.54 -1.94 1.10 0.00 1.01 0.00 0.00 42.92 42.55 2e8p s ASP 51 CO 0.57 -0.29 1.93 -0.26 0.21 0.00 0.00 175.17 177.34 2e8p h PHE 52 N 6.55 0.42 -0.11 4.23 0.04 -1.92 0.15 116.94 126.28 2e8p h PHE 52 Ca 0.10 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.92 2e8p h PHE 52 Cb 0.88 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.90 2e8p h PHE 52 CO 0.76 0.16 0.09 0.77 -0.60 0.00 0.00 178.31 179.49 2e8p h SER 53 N 0.36 0.00 1.00 2.17 0.02 -1.96 -0.50 113.55 114.65 2e8p h SER 53 Ca 0.35 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.14 2e8p h SER 53 Cb 0.87 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 2e8p h SER 53 CO -0.10 0.00 -1.06 0.03 -1.14 0.00 0.00 176.83 174.56 2e8p h ARG 54 N 0.00 0.00 -5.59 3.45 2.47 -1.08 -3.42 114.38 110.21 2e8p h ARG 54 Ca 0.05 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.46 2e8p h ARG 54 Cb 0.24 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.51 2e8p h ARG 54 CO -0.00 0.46 0.91 0.00 0.56 0.00 0.00 179.97 181.91 2e8p n ASP 56 N 14.18 2.81 -4.69 0.00 8.00 -1.26 -4.93 116.55 130.66 2e8p n ASP 56 Ca 0.43 -1.94 -0.42 0.00 0.71 0.00 0.00 54.79 53.57 2e8p n ASP 56 Cb 0.47 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 2e8p n ASP 56 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2e8p s MET 57 N -0.99 4.28 -0.07 -1.24 -1.94 -1.26 -4.93 119.30 113.14 2e8p s MET 57 Ca 0.22 1.99 -0.26 0.00 -1.71 0.00 0.00 55.69 55.93 2e8p s MET 57 Cb 0.12 -3.56 -0.21 0.00 2.01 0.00 0.00 34.83 33.19 2e8p s MET 57 CO 0.16 -0.58 1.01 0.38 -0.01 0.00 0.00 175.02 175.98 2e8p h ASP 58 N 7.81 -0.04 0.00 3.03 2.03 -1.85 -3.40 116.42 124.01 2e8p h ASP 58 Ca -0.38 -0.62 0.00 0.00 -0.73 0.00 0.00 57.03 55.29 2e8p h ASP 58 Cb 1.18 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2e8p h ASP 58 CO 0.90 0.63 0.00 0.61 -1.03 0.00 0.00 179.24 180.36 2e8p n GLY 59 N 0.78 -1.35 0.23 7.15 0.00 -1.13 -1.84 105.19 109.03 2e8p n GLY 59 Ca -0.09 0.51 0.07 0.00 0.00 0.00 0.00 46.02 46.51 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 1.63 -0.00 4.61 0.00 -1.69 -2.17 119.26 121.63 2e8p h ALA 60 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 2e8p h ALA 60 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2e8p h ALA 60 CO 0.00 0.21 -0.80 1.15 0.00 0.00 0.00 179.25 179.81 2e8p h THR 61 N 0.00 1.53 0.27 0.00 2.02 -1.91 -2.25 112.91 112.59 2e8p h THR 61 Ca -0.00 -2.62 -0.01 0.00 0.77 0.00 0.00 66.41 64.54 2e8p h THR 61 Cb 0.31 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 2e8p h THR 61 CO 0.02 0.75 -0.13 0.25 0.37 0.00 0.00 175.52 176.78 2e8p h LEU 62 N 0.04 -0.31 -1.07 2.58 5.85 -1.72 0.23 115.31 120.91 2e8p h LEU 62 Ca -0.02 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 2e8p h LEU 62 Cb 1.40 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 2e8p h LEU 62 CO 0.11 -0.08 -0.46 0.00 -0.34 0.00 0.00 178.44 177.67 2e8p h ASN 64 N 0.00 0.00 -3.25 0.00 2.35 -1.24 -3.46 115.58 109.98 2e8p h ASN 64 Ca -0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.25 2e8p h ASN 64 Cb 0.83 0.00 0.22 0.00 0.05 0.00 0.00 38.32 39.41 2e8p h ASN 64 CO 0.06 0.54 -0.49 0.00 -1.65 0.00 0.00 177.43 175.89 2e8p s ALA 66 N -2.40 3.74 0.09 0.00 0.00 -1.26 -4.98 121.76 116.95 2e8p s ALA 66 Ca 0.60 -0.84 -0.32 0.00 0.00 0.00 0.00 51.96 51.40 2e8p s ALA 66 Cb -0.20 -2.09 -0.14 0.00 0.00 0.00 0.00 23.12 20.70 2e8p s ALA 66 CO 0.65 0.17 1.51 1.25 0.00 0.00 0.00 175.76 179.34 2e8p h LEU 67 N 1.31 -1.42 -1.26 0.00 5.85 -1.98 -1.25 115.31 116.56 2e8p h LEU 67 Ca -0.49 0.14 0.19 0.00 0.84 0.00 0.00 57.88 58.57 2e8p h LEU 67 Cb 1.21 0.51 -0.09 0.00 0.37 0.00 0.00 40.66 42.66 2e8p h LEU 67 CO 0.64 -0.53 0.61 1.05 -0.34 0.00 0.00 178.44 179.87 2e8p h GLU 68 N -0.74 0.59 0.34 1.25 4.11 -1.99 -1.68 114.58 116.46 2e8p h GLU 68 Ca -0.02 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 2e8p h GLU 68 Cb 0.72 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2e8p h GLU 68 CO -0.22 0.39 -0.28 0.93 0.07 0.00 0.00 179.01 179.90 2e8p h GLU 69 N 0.60 -0.61 -0.17 1.06 5.08 -1.66 -1.23 114.58 117.66 2e8p h GLU 69 Ca 0.52 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.97 2e8p h GLU 69 Cb 1.01 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2e8p h GLU 69 CO -0.27 -0.41 0.18 -0.07 -1.00 0.00 0.00 179.01 177.44 2e8p h LEU 70 N -0.63 0.00 -0.13 1.33 3.38 -0.42 0.25 115.31 119.09 2e8p h LEU 70 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2e8p h LEU 70 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2e8p h LEU 70 CO -0.02 0.00 -0.18 0.03 0.09 0.00 0.00 178.44 178.35 2e8p h ARG 71 N 0.00 0.00 0.00 1.13 3.08 -0.79 -0.30 114.38 117.50 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 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2e8p h ARG 71 CO -0.00 0.18 -1.03 1.28 -1.07 0.00 0.00 179.97 179.33 2e8p n LEU 72 N -3.16 0.63 -0.08 3.04 4.77 0.77 -1.98 117.00 120.98 2e8p n LEU 72 Ca 0.03 0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2e8p n LEU 72 Cb 0.58 -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 -1.07 0.52 -1.33 0.00 0.00 177.39 175.84 2e8p n VAL 73 N -2.17 1.12 -1.34 4.08 0.31 -0.48 -4.48 118.33 115.39 2e8p n VAL 73 Ca 0.01 -0.76 0.08 0.00 -0.01 0.00 0.00 64.34 63.66 2e8p n VAL 73 Cb 0.47 -0.42 0.15 0.00 -0.91 0.00 0.00 33.84 33.14 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 -2.64 0.00 -4.94 3.52 3.72 -0.13 -2.18 117.46 114.82 2e8p n PHE 74 Ca -0.27 -1.12 0.00 0.00 -0.05 0.00 0.00 57.45 56.01 2e8p n PHE 74 Cb 1.04 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 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 -2.33 105.19 103.21 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 -2.47 135.00 133.18 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 0.25 0.00 -0.04 0.00 0.00 33.50 32.21 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 -0.84 1.53 5.85 -1.78 -3.25 115.31 116.82 2e8p h LEU 77 Ca 0.00 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.87 2e8p h LEU 77 Cb 0.17 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 2e8p h LEU 77 CO 0.00 0.37 0.42 1.23 -0.34 0.00 0.00 178.44 180.13 2e8p h GLY 78 N 2.64 1.36 0.34 3.75 0.00 -1.50 0.12 103.07 109.77 2e8p h GLY 78 Ca -0.00 -0.24 0.22 0.00 0.00 0.00 0.00 47.33 47.31 2e8p h GLY 78 CO 0.05 -0.05 0.59 -1.80 0.00 0.00 0.00 176.54 175.33 2e8p h ASP 79 N 0.60 0.19 0.40 0.19 3.58 -1.80 0.29 116.42 119.88 2e8p h ASP 79 Ca 0.46 0.02 -0.31 0.00 0.42 0.00 0.00 57.03 57.62 2e8p h ASP 79 Cb 0.66 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 2e8p h ASP 79 CO -0.37 0.07 -1.64 1.56 -2.88 0.00 0.00 179.24 175.99 2e8p h GLN 80 N 0.19 0.21 -0.39 0.28 7.50 -1.03 -3.30 115.11 118.57 2e8p h GLN 80 Ca 0.43 -0.36 -0.10 0.00 0.50 0.00 0.00 58.65 59.12 2e8p h GLN 80 Cb 1.38 0.13 -0.02 0.00 0.05 0.00 0.00 27.48 29.02 2e8p h GLN 80 CO -0.09 1.03 -0.17 -0.07 -1.50 0.00 0.00 178.83 178.03 2e8p h LEU 81 N 0.06 0.73 0.11 1.46 3.38 0.23 -3.05 115.31 118.23 2e8p h LEU 81 Ca -0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 2e8p h LEU 81 Cb 2.02 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.57 2e8p h LEU 81 CO 0.13 0.91 -0.05 -0.74 0.09 0.00 0.00 178.44 178.78 2e8p h HIS 82 N 0.65 -0.14 -0.70 1.13 2.76 -0.65 -1.17 115.15 117.02 2e8p h HIS 82 Ca 0.10 -0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.45 2e8p h HIS 82 Cb 0.66 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.63 2e8p h HIS 82 CO 0.03 -0.02 0.49 0.00 -1.30 0.00 0.00 177.93 177.13 2e8p h ALA 83 N 0.66 2.51 0.11 5.26 0.00 -1.62 0.22 119.26 126.40 2e8p h ALA 83 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2e8p h ALA 83 Cb 0.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2e8p h ALA 83 CO 0.03 -0.71 -0.05 1.96 0.00 0.00 0.00 179.25 180.47 2e8p h GLN 84 N 0.10 -0.14 -0.34 0.00 1.08 -1.32 -3.24 115.11 111.26 2e8p h GLN 84 Ca 0.34 0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.64 2e8p h GLN 84 Cb 1.19 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.64 2e8p h GLN 84 CO -0.04 0.31 0.25 -0.07 -0.95 0.00 0.00 178.83 178.33 2e8p h LEU 85 N -0.93 0.00 -1.44 1.46 3.38 -0.63 0.86 115.31 118.01 2e8p h LEU 85 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2e8p h LEU 85 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2e8p h LEU 85 CO 0.02 0.00 -0.25 0.03 0.09 0.00 0.00 178.44 178.33 2e8p h ARG 86 N 0.00 0.04 0.14 1.13 3.08 -1.03 -2.81 114.38 114.93 2e8p h ARG 86 Ca 0.16 -0.01 -0.31 0.00 0.07 0.00 0.00 59.98 59.89 2e8p h ARG 86 Cb 0.66 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 2e8p h ARG 86 CO -0.00 0.29 -1.51 -0.44 -1.07 0.00 0.00 179.97 177.24 2e8p h ASP 87 N 0.03 0.45 -0.80 7.04 3.32 -0.88 -1.87 116.42 123.72 2e8p h ASP 87 Ca 0.00 -0.59 0.08 0.00 0.02 0.00 0.00 57.03 56.54 2e8p h ASP 87 Cb 0.47 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 2e8p h ASP 87 CO 0.03 1.49 0.52 -0.07 -1.72 0.00 0.00 179.24 179.49 2e8p h LEU 88 N 0.08 0.72 0.13 1.55 3.38 -1.14 -1.50 115.31 118.52 2e8p h LEU 88 Ca -0.24 0.01 -0.36 0.00 0.09 0.00 0.00 57.88 57.38 2e8p h LEU 88 Cb 2.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 2e8p h LEU 88 CO 0.18 0.44 -1.98 0.35 0.09 0.00 0.00 178.44 177.52 2e8p n THR 89 N -4.50 1.79 -0.07 0.22 -2.24 -1.09 -4.07 114.28 104.32 2e8p n THR 89 Ca 0.13 -0.66 0.20 0.00 -2.27 0.00 0.00 64.05 61.44 2e8p n THR 89 Cb 0.27 -1.73 0.63 0.00 -2.10 0.00 0.00 70.33 67.40 2e8p n THR 89 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2e8p h SER 90 N 0.07 0.13 -3.73 3.42 0.02 -1.07 -3.41 113.55 108.99 2e8p h SER 90 Ca -0.42 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.38 2e8p h SER 90 Cb 2.04 -0.02 -0.26 0.00 0.14 0.00 0.00 62.40 64.30 2e8p h SER 90 CO 0.09 0.07 -0.41 -0.94 -1.14 0.00 0.00 176.83 174.51 2e8p s SER 91 N -6.06 -0.29 0.00 3.07 1.04 -0.59 -5.06 113.70 105.80 2e8p s SER 91 Ca -0.06 0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.93 2e8p s SER 91 Cb 0.20 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.87 2e8p s SER 91 CO 0.75 -0.11 0.00 -0.24 0.98 0.00 0.00 173.24 174.62