#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e8p s SER 2 N 0.00 6.51 -0.08 1.61 0.01 -1.26 -4.82 113.70 115.66 2e8p s SER 2 Ca 0.00 0.13 -0.01 0.00 1.31 0.00 0.00 55.95 57.38 2e8p s SER 2 Cb 0.00 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2e8p s SER 2 CO 0.00 -1.10 -0.08 -1.20 0.41 0.00 0.00 173.24 171.27 2e8p n SER 3 N 7.30 2.46 -3.47 2.44 7.64 -1.26 -5.05 113.62 123.68 2e8p n SER 3 Ca 0.07 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2e8p n SER 3 Cb 0.49 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 2.92 -1.52 1.56 0.23 0.00 -1.26 -5.06 105.19 102.05 2e8p n GLY 4 Ca -0.14 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2e8p n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e8p n SER 5 N 0.00 0.13 -3.04 1.61 7.64 -1.26 -5.08 113.62 113.62 2e8p n SER 5 Ca 0.00 0.11 -0.14 0.00 1.01 0.00 0.00 58.87 59.85 2e8p n SER 5 Cb 0.00 0.03 0.07 0.00 -1.01 0.00 0.00 64.21 63.29 2e8p n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2e8p n SER 6 N -2.97 -4.57 -1.27 6.43 7.64 -1.26 -4.70 113.62 112.92 2e8p n SER 6 Ca 0.00 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.30 2e8p n SER 6 Cb 0.16 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 58.81 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 -1.21 -4.52 3.04 0.23 0.00 -1.26 -5.05 105.19 96.41 2e8p n GLY 7 Ca -0.13 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 2e8p n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2e8p s GLN 8 N -2.08 1.02 0.00 1.61 0.74 -1.26 -5.03 119.66 114.66 2e8p s GLN 8 Ca 0.00 -0.37 0.00 0.00 0.05 0.00 0.00 55.36 55.04 2e8p s GLN 8 Cb 0.00 -0.96 0.00 0.00 1.10 0.00 0.00 33.01 33.15 2e8p s GLN 8 CO 0.00 0.18 0.00 -1.33 -0.55 0.00 0.00 175.29 173.59 2e8p n MET 9 N 3.08 0.00 -2.52 1.67 2.81 -1.26 -5.12 117.12 115.77 2e8p n MET 9 Ca -0.16 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.69 2e8p n MET 9 Cb 0.55 -0.48 -0.03 0.00 -0.71 0.00 0.00 33.22 32.55 2e8p n MET 9 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2e8p n SER 10 N -2.77 -2.50 -4.77 7.83 7.64 -1.26 -4.92 113.62 112.88 2e8p n SER 10 Ca 0.00 1.25 -0.39 0.00 1.01 0.00 0.00 58.87 60.74 2e8p n SER 10 Cb 0.38 -4.91 -0.00 0.00 -1.01 0.00 0.00 64.21 58.68 2e8p n SER 10 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2e8p s LEU 11 N -0.87 4.18 0.31 -3.43 1.43 -1.26 -4.78 118.68 114.26 2e8p s LEU 11 Ca -0.19 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 55.58 2e8p s LEU 11 Cb 0.01 -3.94 0.00 0.00 0.03 0.00 0.00 46.19 42.29 2e8p s LEU 11 CO 0.72 -0.91 0.00 1.21 0.23 0.00 0.00 176.35 177.60 2e8p n GLU 12 N 0.02 -2.55 -2.19 1.70 0.00 -1.26 -4.97 120.64 111.39 2e8p n GLU 12 Ca 0.04 1.71 0.00 0.00 0.00 0.00 0.00 57.16 58.91 2e8p n GLU 12 Cb 0.44 -3.11 0.00 0.00 0.00 0.00 0.00 31.44 28.77 2e8p n GLU 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2e8p n GLY 13 N -3.85 0.82 0.38 8.31 0.00 -1.26 -4.98 105.19 104.61 2e8p n GLY 13 Ca 0.00 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.41 2e8p n GLY 13 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2e8p n THR 14 N -2.76 2.05 -4.66 2.61 -2.24 -1.26 -5.03 114.28 102.99 2e8p n THR 14 Ca 0.00 -2.80 -0.30 0.00 -2.27 0.00 0.00 64.05 58.68 2e8p n THR 14 Cb 0.47 -0.23 -0.13 0.00 -2.10 0.00 0.00 70.33 68.33 2e8p n THR 14 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2e8p s GLU 15 N -3.05 1.77 0.32 -0.78 2.12 -1.26 -5.06 118.70 112.77 2e8p s GLU 15 Ca 0.35 -1.14 0.00 0.00 0.36 0.00 0.00 54.97 54.54 2e8p s GLU 15 Cb 0.33 -2.03 0.00 0.00 0.26 0.00 0.00 34.13 32.69 2e8p s GLU 15 CO -0.03 0.50 0.00 1.17 -0.54 0.00 0.00 175.26 176.36 2e8p n LYS 16 N 1.42 -2.67 -3.64 4.30 3.00 -1.26 -5.00 118.16 114.30 2e8p n LYS 16 Ca -0.17 1.79 -0.07 0.00 -0.00 0.00 0.00 58.31 59.86 2e8p n LYS 16 Cb 0.52 -3.25 -0.07 0.00 0.00 0.00 0.00 35.03 32.23 2e8p n LYS 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2e8p s ALA 17 N -2.23 -2.06 0.43 3.14 0.00 -1.26 -5.00 121.76 114.78 2e8p s ALA 17 Ca 0.00 2.06 0.39 0.00 0.00 0.00 0.00 51.96 54.41 2e8p s ALA 17 Cb 0.00 -1.52 2.08 0.00 0.00 0.00 0.00 23.12 23.68 2e8p s ALA 17 CO 0.00 -0.30 2.20 0.77 0.00 0.00 0.00 175.76 178.43 2e8p h SER 18 N 5.18 0.00 -0.29 0.00 0.02 -1.95 0.21 113.55 116.71 2e8p h SER 18 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2e8p h SER 18 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2e8p h SER 18 CO 0.14 0.00 0.00 -2.67 -1.14 0.00 0.00 176.83 173.16 2e8p n TRP 19 N -2.92 0.90 -3.69 3.45 4.27 -1.26 -4.93 117.44 113.25 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 29.67 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 3.91 0.00 5.67 1.43 0.06 -4.27 118.68 123.00 2e8p s LEU 20 Ca 0.39 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 2e8p s LEU 20 Cb 0.30 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2e8p s LEU 20 CO 0.11 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.31 2e8p n GLY 21 N 4.61 2.50 3.31 -3.19 0.00 -1.26 -4.83 105.19 106.32 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 -0.36 1.73 0.93 1.61 2.56 -1.26 -5.13 118.70 118.79 2e8p s GLU 22 Ca 0.00 -1.02 -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 1.95 -0.56 0.00 4.30 6.02 -1.26 -4.87 117.38 122.96 2e8p n GLN 23 Ca -0.17 -0.10 0.07 0.00 -0.01 0.00 0.00 57.00 56.79 2e8p n GLN 23 Cb 0.52 -2.34 0.33 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 -4.18 0.07 0.10 -1.09 -0.04 -1.26 -2.24 135.00 126.36 2e8p n PRO 24 Ca 0.11 0.22 0.04 0.00 -0.04 0.00 0.00 63.50 63.84 2e8p n PRO 24 Cb 0.52 -1.50 -0.00 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 -1.35 0.54 4.20 -1.90 -3.35 115.11 113.26 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 -0.36 0.00 0.30 0.00 0.00 27.48 27.64 2e8p h GLN 25 CO 0.00 0.28 0.07 1.19 -0.67 0.00 0.00 178.83 179.69 2e8p n PHE 26 N -2.99 3.11 -3.76 2.96 3.01 -0.95 -2.78 117.46 116.05 2e8p n PHE 26 Ca -0.02 -2.68 -0.27 0.00 1.01 0.00 0.00 57.45 55.49 2e8p n PHE 26 Cb 0.72 -0.73 -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 0.32 1.38 0.52 -1.25 -4.84 118.94 114.79 2e8p s TRP 27 Ca 0.53 0.28 0.06 0.00 0.02 0.00 0.00 56.10 57.00 2e8p s TRP 27 Cb 0.44 -1.80 -0.02 0.00 -1.15 0.00 0.00 33.47 30.94 2e8p s TRP 27 CO -0.16 0.41 0.42 -1.12 0.02 0.00 0.00 176.95 176.52 2e8p s SER 28 N -3.20 5.91 0.59 2.95 0.01 -0.87 -2.85 113.70 116.24 2e8p s SER 28 Ca 0.37 -0.20 0.29 0.00 1.31 0.00 0.00 55.95 57.72 2e8p s SER 28 Cb -0.11 -1.30 1.62 0.00 0.21 0.00 0.00 66.02 66.44 2e8p s SER 28 CO 0.29 -0.35 2.06 0.11 0.41 0.00 0.00 173.24 175.76 2e8p h LYS 29 N 1.01 0.00 0.11 12.44 1.57 -1.75 -0.51 116.57 129.45 2e8p h LYS 29 Ca -0.47 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 57.99 2e8p h LYS 29 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 2e8p h LYS 29 CO 0.55 0.00 -1.66 1.15 -0.57 0.00 0.00 179.45 178.92 2e8p h THR 30 N 0.00 1.00 -0.27 -0.16 2.02 -1.90 -3.33 112.91 110.27 2e8p h THR 30 Ca 0.11 -2.67 -0.01 0.00 0.77 0.00 0.00 66.41 64.61 2e8p h THR 30 Cb 0.63 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 2e8p h THR 30 CO -0.00 0.80 0.14 1.56 0.37 0.00 0.00 175.52 178.39 2e8p h GLN 31 N 0.07 0.39 0.11 6.66 4.20 -1.43 -1.58 115.11 123.52 2e8p h GLN 31 Ca -0.29 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2e8p h GLN 31 Cb 2.03 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 29.71 2e8p h GLN 31 CO 0.14 0.36 -0.32 0.28 -0.67 0.00 0.00 178.83 178.61 2e8p h VAL 32 N 0.32 0.00 -0.66 -0.54 2.07 -1.50 0.26 116.25 116.19 2e8p h VAL 32 Ca 0.10 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.78 2e8p h VAL 32 Cb 0.09 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.82 2e8p h VAL 32 CO -0.01 0.00 0.46 -0.07 0.02 0.00 0.00 177.57 177.97 2e8p h LEU 33 N -0.49 0.18 -0.83 2.57 3.38 -1.66 0.26 115.31 118.72 2e8p h LEU 33 Ca -0.01 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 2e8p h LEU 33 Cb 0.48 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2e8p h LEU 33 CO -0.16 0.09 -0.55 0.44 0.09 0.00 0.00 178.44 178.35 2e8p h ASP 34 N 0.19 0.00 0.83 -0.43 5.19 -0.20 -3.03 116.42 118.97 2e8p h ASP 34 Ca 0.32 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.54 2e8p h ASP 34 Cb 1.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.49 2e8p h ASP 34 CO -0.06 0.55 -0.90 -0.25 -3.12 0.00 0.00 179.24 175.46 2e8p h TRP 35 N 0.00 0.07 0.10 4.55 7.01 0.29 -3.31 115.95 124.67 2e8p h TRP 35 Ca -0.01 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 2e8p h TRP 35 Cb 1.03 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.08 2e8p h TRP 35 CO 0.00 0.92 -0.05 0.82 -2.79 0.00 0.00 178.44 177.34 2e8p h ILE 36 N 0.02 0.94 -0.94 2.65 2.04 -1.21 -2.55 117.51 118.46 2e8p h ILE 36 Ca -0.02 -0.15 0.21 0.00 1.00 0.00 0.00 64.86 65.90 2e8p h ILE 36 Cb 1.58 1.03 -0.08 0.00 -0.74 0.00 0.00 36.82 38.61 2e8p h ILE 36 CO 0.12 0.04 0.61 -1.28 0.00 0.00 0.00 178.15 177.64 2e8p h SER 37 N -0.21 0.48 -0.34 1.72 0.87 -1.64 0.31 113.55 114.74 2e8p h SER 37 Ca -0.01 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2e8p h SER 37 Cb 0.17 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 2e8p h SER 37 CO 0.02 0.18 0.18 0.22 -0.53 0.00 0.00 176.83 176.90 2e8p h TYR 38 N 0.47 0.48 0.00 2.24 3.20 -1.55 0.11 116.97 121.92 2e8p h TYR 38 Ca 0.50 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.29 2e8p h TYR 38 Cb 1.17 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 2e8p h TYR 38 CO -0.00 0.39 -0.32 1.96 -1.64 0.00 0.00 178.16 178.55 2e8p h GLN 39 N 0.42 0.00 0.00 1.82 1.08 -0.86 -2.59 115.11 114.99 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 0.08 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2e8p h GLN 39 CO -0.02 0.32 -0.70 0.28 -0.95 0.00 0.00 178.83 177.76 2e8p h VAL 40 N 0.00 1.25 0.00 -0.54 2.07 -0.07 -2.14 116.25 116.81 2e8p h VAL 40 Ca -0.00 -2.64 -0.16 0.00 0.82 0.00 0.00 66.70 64.72 2e8p h VAL 40 Cb 1.10 2.53 -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 0.00 1.57 4.57 -0.75 -2.24 114.58 117.73 2e8p h GLU 41 Ca -0.01 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2e8p h GLU 41 Cb 1.48 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.06 2e8p h GLU 41 CO 0.09 0.42 -0.11 -0.22 -1.18 0.00 0.00 179.01 178.01 2e8p h LYS 42 N 0.00 0.00 0.00 1.92 1.63 -1.49 -3.29 116.57 115.33 2e8p h LYS 42 Ca -0.11 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 2e8p h LYS 42 Cb 1.57 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.20 2e8p h LYS 42 CO 0.06 0.91 0.00 0.09 -3.45 0.00 0.00 179.45 177.06 2e8p n ASN 43 N -4.61 0.01 -2.38 4.20 3.02 -0.81 -4.87 115.26 109.82 2e8p n ASN 43 Ca -0.11 0.50 -0.18 0.00 -0.03 0.00 0.00 54.58 54.76 2e8p n ASN 43 Cb 0.46 -0.51 0.02 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.51 -3.37 -2.19 3.52 5.02 -1.12 -4.95 118.16 113.55 2e8p n LYS 44 Ca 0.04 0.78 -0.40 0.00 -2.02 0.00 0.00 58.31 56.71 2e8p n LYS 44 Cb 0.21 -5.29 -0.02 0.00 -0.02 0.00 0.00 35.03 29.91 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 -3.02 3.15 0.54 2.13 5.04 -0.86 -4.89 117.35 119.44 2e8p s TYR 45 Ca 0.19 1.48 0.30 0.00 -2.44 0.00 0.00 57.07 56.59 2e8p s TYR 45 Cb -0.08 -3.60 1.46 0.00 0.35 0.00 0.00 41.96 40.09 2e8p s TYR 45 CO 0.23 -1.59 1.92 0.22 -1.34 0.00 0.00 175.55 174.99 2e8p h ASP 46 N 3.43 0.00 -1.65 4.32 1.82 -1.92 -3.45 116.42 118.96 2e8p h ASP 46 Ca -0.48 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 55.81 2e8p h ASP 46 Cb 1.22 -0.00 -0.07 0.00 0.68 0.00 0.00 39.33 41.16 2e8p h ASP 46 CO 0.66 0.00 -0.38 0.00 -1.61 0.00 0.00 179.24 177.91 2e8p n ALA 47 N -2.69 -0.39 -1.26 -0.78 0.00 -1.26 -4.87 120.51 109.26 2e8p n ALA 47 Ca 0.16 0.20 -0.02 0.00 0.00 0.00 0.00 53.44 53.78 2e8p n ALA 47 Cb 0.86 -1.83 0.22 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.01 3.23 0.00 0.00 2.88 -1.26 -4.54 113.62 112.92 2e8p n SER 48 Ca -0.19 -3.48 0.00 0.00 -1.33 0.00 0.00 58.87 53.87 2e8p n SER 48 Cb 0.61 -0.64 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 -0.86 2.07 -1.67 -1.46 0.00 -1.26 -5.07 120.51 112.26 2e8p n ALA 49 Ca 0.33 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 53.26 2e8p n ALA 49 Cb 1.09 0.14 -0.06 0.00 0.00 0.00 0.00 19.45 20.62 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 0.25 -3.06 0.00 5.41 -1.26 -4.62 119.36 114.24 2e8p n ILE 50 Ca 0.00 -0.04 -0.45 0.00 1.00 0.00 0.00 62.75 63.26 2e8p n ILE 50 Cb 0.14 -1.39 -0.01 0.00 -0.71 0.00 0.00 39.64 37.67 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 2.42 6.91 0.58 4.38 1.01 -0.72 -4.84 116.67 126.40 2e8p s ASP 51 Ca 0.89 -2.71 0.28 0.00 0.71 0.00 0.00 52.55 51.72 2e8p s ASP 51 Cb -0.85 -2.34 1.56 0.00 1.01 0.00 0.00 42.92 42.30 2e8p s ASP 51 CO 0.51 -0.76 2.03 -0.26 0.21 0.00 0.00 175.17 176.90 2e8p h PHE 52 N 7.76 0.00 -0.00 4.23 0.04 -1.90 0.20 116.94 127.26 2e8p h PHE 52 Ca 0.21 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.85 2e8p h PHE 52 Cb 0.95 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.08 2e8p h PHE 52 CO 1.06 0.00 -0.61 0.77 -0.60 0.00 0.00 178.31 178.94 2e8p h SER 53 N 0.00 0.02 1.16 2.17 0.02 -1.96 -2.98 113.55 111.99 2e8p h SER 53 Ca 0.14 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 2e8p h SER 53 Cb 0.75 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 2e8p h SER 53 CO -0.00 0.62 -0.57 0.03 -1.14 0.00 0.00 176.83 175.77 2e8p h ARG 54 N 0.01 0.00 -5.59 3.45 2.47 -0.98 -3.41 114.38 110.34 2e8p h ARG 54 Ca -0.01 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.44 2e8p h ARG 54 Cb 1.07 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.35 2e8p h ARG 54 CO 0.08 0.57 0.76 0.00 0.56 0.00 0.00 179.97 181.93 2e8p n ASP 56 N 14.70 3.17 -2.97 0.00 9.92 -1.26 -5.00 116.55 135.11 2e8p n ASP 56 Ca 0.42 -1.96 -0.14 0.00 -0.53 0.00 0.00 54.79 52.58 2e8p n ASP 56 Cb 0.47 -0.28 0.11 0.00 -0.64 0.00 0.00 41.12 40.77 2e8p n ASP 56 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 2e8p n MET 57 N 0.91 -1.49 0.00 -1.24 2.81 -1.26 -5.05 117.12 111.80 2e8p n MET 57 Ca 0.15 -0.89 0.00 0.00 -1.81 0.00 0.00 57.70 55.15 2e8p n MET 57 Cb 0.48 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 32.26 2e8p n MET 57 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2e8p n ASP 58 N -3.71 0.09 0.03 7.83 5.75 -1.26 -4.35 116.55 120.92 2e8p n ASP 58 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 2e8p n ASP 58 Cb 0.28 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 2e8p n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2e8p n GLY 59 N 1.74 -1.50 0.25 6.12 0.00 -1.13 -2.05 105.19 108.62 2e8p n GLY 59 Ca 0.00 0.59 0.11 0.00 0.00 0.00 0.00 46.02 46.73 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 1.27 0.00 4.61 0.00 -1.68 -2.17 119.26 121.29 2e8p h ALA 60 Ca 0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2e8p h ALA 60 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2e8p h ALA 60 CO 0.00 0.19 -0.65 1.15 0.00 0.00 0.00 179.25 179.94 2e8p h THR 61 N 0.00 1.14 0.08 0.00 2.02 -1.91 -2.83 112.91 111.42 2e8p h THR 61 Ca -0.00 -2.52 -0.00 0.00 0.77 0.00 0.00 66.41 64.65 2e8p h THR 61 Cb 0.41 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 2e8p h THR 61 CO 0.02 0.63 -0.04 0.25 0.37 0.00 0.00 175.52 176.75 2e8p h LEU 62 N 0.00 -0.10 -1.94 2.58 5.85 -1.74 0.24 115.31 120.20 2e8p h LEU 62 Ca -0.01 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 2e8p h LEU 62 Cb 1.45 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.50 2e8p h LEU 62 CO 0.08 0.54 -0.11 0.00 -0.34 0.00 0.00 178.44 178.61 2e8p n ASN 64 N -3.86 0.88 -4.50 0.00 3.02 -1.07 -4.94 115.26 104.78 2e8p n ASN 64 Ca -0.02 0.39 -0.37 0.00 -0.03 0.00 0.00 54.58 54.55 2e8p n ASN 64 Cb 0.21 0.12 0.06 0.00 -0.61 0.00 0.00 39.78 39.56 2e8p n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2e8p s ALA 66 N -1.81 3.06 0.09 0.00 0.00 -1.26 -4.93 121.76 116.91 2e8p s ALA 66 Ca 0.69 -0.01 -0.36 0.00 0.00 0.00 0.00 51.96 52.28 2e8p s ALA 66 Cb -0.38 -3.10 -0.17 0.00 0.00 0.00 0.00 23.12 19.48 2e8p s ALA 66 CO 0.55 -0.63 1.57 1.25 0.00 0.00 0.00 175.76 178.49 2e8p h LEU 67 N -0.07 -1.40 -1.65 0.00 5.85 -1.97 -1.58 115.31 114.49 2e8p h LEU 67 Ca -0.45 0.11 0.22 0.00 0.84 0.00 0.00 57.88 58.61 2e8p h LEU 67 Cb 1.19 0.47 -0.06 0.00 0.37 0.00 0.00 40.66 42.63 2e8p h LEU 67 CO 0.61 -0.66 0.60 1.05 -0.34 0.00 0.00 178.44 179.70 2e8p h GLU 68 N -0.99 0.27 -0.09 1.25 4.11 -1.98 -0.59 114.58 116.56 2e8p h GLU 68 Ca -0.06 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 2e8p h GLU 68 Cb 0.87 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 2e8p h GLU 68 CO -0.08 0.18 0.05 0.93 0.07 0.00 0.00 179.01 180.17 2e8p h GLU 69 N 0.28 0.13 -0.57 1.06 5.08 -1.69 -1.08 114.58 117.79 2e8p h GLU 69 Ca 0.45 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 2e8p h GLU 69 Cb 1.31 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 2e8p h GLU 69 CO -0.13 0.14 0.32 -0.07 -1.00 0.00 0.00 179.01 178.26 2e8p h LEU 70 N 0.08 0.70 -0.39 1.33 3.38 -0.52 -0.40 115.31 119.49 2e8p h LEU 70 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2e8p h LEU 70 Cb 0.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2e8p h LEU 70 CO -0.01 0.56 0.00 0.03 0.09 0.00 0.00 178.44 179.12 2e8p h ARG 71 N 0.80 0.00 0.00 1.13 3.08 -1.05 0.14 114.38 118.48 2e8p h ARG 71 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2e8p h ARG 71 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2e8p h ARG 71 CO -0.03 0.00 -1.26 1.28 -1.07 0.00 0.00 179.97 178.89 2e8p n LEU 72 N -2.33 0.62 -0.12 3.04 4.32 -0.25 -2.72 117.00 119.57 2e8p n LEU 72 Ca 0.04 0.24 -0.16 0.00 -0.02 0.00 0.00 56.01 56.10 2e8p n LEU 72 Cb 0.34 -0.05 -0.12 0.00 -1.62 0.00 0.00 43.42 41.97 2e8p n LEU 72 CO 0.25 -0.13 -1.27 0.52 -1.22 0.00 0.00 177.39 175.54 2e8p n VAL 73 N -2.55 1.39 -1.07 4.08 0.31 -0.66 -4.46 118.33 115.37 2e8p n VAL 73 Ca -0.01 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 2e8p n VAL 73 Cb 0.55 -1.24 0.29 0.00 -0.91 0.00 0.00 33.84 32.53 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 -3.14 1.76 -4.99 3.52 3.72 0.48 -1.76 117.46 117.05 2e8p n PHE 74 Ca -0.41 -1.10 0.00 0.00 -0.05 0.00 0.00 57.45 55.89 2e8p n PHE 74 Cb 0.98 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 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 -0.30 1.07 0.00 1.37 0.00 -1.10 -2.34 105.19 103.89 2e8p n GLY 75 Ca 0.32 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 0.35 0.15 0.19 1.61 -0.04 -1.26 -2.42 135.00 133.58 2e8p n PRO 76 Ca 0.00 0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.71 2e8p n PRO 76 Cb 0.00 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.00 1.53 5.85 -1.79 -3.25 115.31 116.65 2e8p h LEU 77 Ca 0.00 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.89 2e8p h LEU 77 Cb 0.17 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.10 2e8p h LEU 77 CO 0.00 0.30 0.61 1.23 -0.34 0.00 0.00 178.44 180.24 2e8p h GLY 78 N 2.92 1.74 0.55 3.75 0.00 -1.50 0.17 103.07 110.72 2e8p h GLY 78 Ca -0.00 -0.37 0.20 0.00 0.00 0.00 0.00 47.33 47.16 2e8p h GLY 78 CO 0.04 -0.02 0.53 -1.80 0.00 0.00 0.00 176.54 175.29 2e8p h ASP 79 N 0.81 0.00 0.12 0.19 3.58 -1.80 0.22 116.42 119.54 2e8p h ASP 79 Ca 0.56 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.64 2e8p h ASP 79 Cb 0.80 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.83 2e8p h ASP 79 CO -0.36 0.00 -1.98 0.00 -2.88 0.00 0.00 179.24 174.02 2e8p n GLN 80 N -4.23 0.75 -0.09 0.28 1.13 0.50 -3.99 117.38 111.74 2e8p n GLN 80 Ca 0.14 0.27 -0.00 0.00 -1.94 0.00 0.00 57.00 55.47 2e8p n GLN 80 Cb 0.79 -1.71 0.27 0.00 0.11 0.00 0.00 30.24 29.71 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 0.04 0.66 0.20 1.08 3.38 -0.17 -2.90 115.31 117.60 2e8p h LEU 81 Ca -0.42 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 2e8p h LEU 81 Cb 2.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 2e8p h LEU 81 CO 0.08 0.60 -0.14 -0.74 0.09 0.00 0.00 178.44 178.33 2e8p h HIS 82 N 0.72 -0.37 -0.95 1.13 2.76 -0.78 -0.98 115.15 116.68 2e8p h HIS 82 Ca 0.17 -0.00 0.20 0.00 -2.20 0.00 0.00 60.37 58.54 2e8p h HIS 82 Cb 0.15 0.14 -0.08 0.00 1.55 0.00 0.00 27.41 29.17 2e8p h HIS 82 CO 0.01 -0.22 0.61 0.00 -1.30 0.00 0.00 177.93 177.03 2e8p h ALA 83 N 0.44 2.05 0.45 5.26 0.00 -1.64 0.52 119.26 126.33 2e8p h ALA 83 Ca -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2e8p h ALA 83 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2e8p h ALA 83 CO 0.00 -0.37 -0.22 1.96 0.00 0.00 0.00 179.25 180.63 2e8p h GLN 84 N 0.52 -0.58 -0.59 0.00 1.08 -1.30 -3.09 115.11 111.14 2e8p h GLN 84 Ca 0.51 0.04 0.17 0.00 -1.45 0.00 0.00 58.65 57.92 2e8p h GLN 84 Cb 1.11 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.64 2e8p h GLN 84 CO -0.24 -0.34 0.47 -0.07 -0.95 0.00 0.00 178.83 177.70 2e8p h LEU 85 N -1.12 0.00 -0.98 1.46 3.38 -0.72 0.20 115.31 117.53 2e8p h LEU 85 Ca -0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2e8p h LEU 85 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2e8p h LEU 85 CO 0.10 0.00 -0.09 0.03 0.09 0.00 0.00 178.44 178.57 2e8p h ARG 86 N 0.00 0.64 0.04 1.13 3.08 -0.88 -2.80 114.38 115.59 2e8p h ARG 86 Ca 0.28 -0.19 -0.26 0.00 0.07 0.00 0.00 59.98 59.88 2e8p h ARG 86 Cb 1.22 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 31.22 2e8p h ARG 86 CO -0.00 0.72 -1.08 -0.44 -1.07 0.00 0.00 179.97 178.10 2e8p h ASP 87 N 0.59 0.72 -0.02 7.04 5.19 -0.55 0.50 116.42 129.89 2e8p h ASP 87 Ca 0.11 -0.62 0.01 0.00 -0.62 0.00 0.00 57.03 55.91 2e8p h ASP 87 Cb 0.50 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.79 2e8p h ASP 87 CO 0.03 1.43 0.02 -0.07 -3.12 0.00 0.00 179.24 177.53 2e8p h LEU 88 N 0.28 0.00 0.00 1.55 3.38 -1.23 -2.52 115.31 116.77 2e8p h LEU 88 Ca -0.13 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.48 2e8p h LEU 88 Cb 1.74 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.42 2e8p h LEU 88 CO 0.20 0.00 -2.35 0.35 0.09 0.00 0.00 178.44 176.73 2e8p n THR 89 N -3.98 1.35 -3.15 0.22 -2.24 -1.07 -4.67 114.28 100.74 2e8p n THR 89 Ca -0.02 -0.79 -0.13 0.00 -2.27 0.00 0.00 64.05 60.84 2e8p n THR 89 Cb 0.11 -0.60 0.01 0.00 -2.10 0.00 0.00 70.33 67.75 2e8p n THR 89 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2e8p n SER 90 N -2.79 -7.10 -4.57 3.42 2.88 0.16 -4.80 113.62 100.82 2e8p n SER 90 Ca -0.33 0.05 -0.40 0.00 -1.33 0.00 0.00 58.87 56.85 2e8p n SER 90 Cb 1.11 -4.26 -0.03 0.00 -0.75 0.00 0.00 64.21 60.28 2e8p n SER 90 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2e8p s SER 91 N -2.58 5.30 0.00 -3.46 0.15 -1.25 -5.08 113.70 106.77 2e8p s SER 91 Ca 0.17 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.83 2e8p s SER 91 Cb -0.04 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2e8p s SER 91 CO 0.80 -2.23 0.00 -1.20 1.20 0.00 0.00 173.24 171.81