#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 -0.25 0.05 1.61 0.15 -1.26 -5.13 113.70 108.87 2e8p s SER 2 Ca 0.00 0.33 -0.30 0.00 0.70 0.00 0.00 55.95 56.68 2e8p s SER 2 Cb 0.00 0.47 -0.08 0.00 -1.71 0.00 0.00 66.02 64.70 2e8p s SER 2 CO 0.00 -0.30 1.69 -0.55 1.20 0.00 0.00 173.24 175.27 2e8p s SER 3 N -0.68 6.59 0.07 5.45 0.15 -1.26 -4.93 113.70 119.10 2e8p s SER 3 Ca -0.08 2.47 -0.36 0.00 0.70 0.00 0.00 55.95 58.68 2e8p s SER 3 Cb -0.04 -2.56 -0.19 0.00 -1.71 0.00 0.00 66.02 61.53 2e8p s SER 3 CO 0.03 -0.91 1.58 1.23 1.20 0.00 0.00 173.24 176.36 2e8p h GLY 4 N 9.01 -1.26 -3.73 9.45 0.00 -2.07 -3.43 103.07 111.04 2e8p h GLY 4 Ca -0.43 0.52 -0.54 0.00 0.00 0.00 0.00 47.33 46.89 2e8p h GLY 4 CO 0.94 -0.43 0.71 -0.56 0.00 0.00 0.00 176.54 177.20 2e8p s SER 5 N -4.24 6.30 0.82 0.19 0.01 -1.26 -4.94 113.70 110.57 2e8p s SER 5 Ca -0.19 2.90 -0.14 0.00 1.31 0.00 0.00 55.95 59.83 2e8p s SER 5 Cb 0.03 -2.66 0.01 0.00 0.21 0.00 0.00 66.02 63.62 2e8p s SER 5 CO 0.61 -0.89 0.63 -1.54 0.41 0.00 0.00 173.24 172.47 2e8p n SER 6 N 0.31 -1.00 -4.69 2.44 3.41 -1.26 -4.87 113.62 107.96 2e8p n SER 6 Ca 0.02 0.50 -0.42 0.00 -0.26 0.00 0.00 58.87 58.72 2e8p n SER 6 Cb 0.41 -1.28 0.01 0.00 -0.26 0.00 0.00 64.21 63.09 2e8p n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e8p n GLY 7 N 1.36 0.49 3.63 5.00 0.00 -1.26 -5.00 105.19 109.41 2e8p n GLY 7 Ca 0.10 0.23 -0.08 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.07 0.39 -0.36 1.61 0.74 -1.26 -5.10 119.66 113.60 2e8p s GLN 8 Ca 0.59 0.39 0.01 0.00 0.05 0.00 0.00 55.36 56.41 2e8p s GLN 8 Cb -0.53 0.19 0.28 0.00 1.10 0.00 0.00 33.01 34.05 2e8p s GLN 8 CO 0.59 -0.06 1.21 -0.12 -0.55 0.00 0.00 175.29 176.36 2e8p n MET 9 N 1.82 0.29 -3.26 1.67 1.56 -1.26 -5.14 117.12 112.81 2e8p n MET 9 Ca -0.11 -0.95 -0.40 0.00 -0.27 0.00 0.00 57.70 55.98 2e8p n MET 9 Cb 0.56 -0.47 -0.07 0.00 2.15 0.00 0.00 33.22 35.40 2e8p n MET 9 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 2e8p s SER 10 N -0.55 6.46 -0.38 6.12 1.04 -1.26 -5.01 113.70 120.12 2e8p s SER 10 Ca 0.25 0.55 0.02 0.00 0.48 0.00 0.00 55.95 57.26 2e8p s SER 10 Cb 0.24 -2.28 0.16 0.00 0.10 0.00 0.00 66.02 64.23 2e8p s SER 10 CO -0.13 -0.24 0.29 -0.76 0.98 0.00 0.00 173.24 173.38 2e8p s LEU 11 N 2.04 0.98 -0.26 2.42 1.43 -1.26 -5.11 118.68 118.92 2e8p s LEU 11 Ca 0.22 -2.48 -0.33 0.00 -1.03 0.00 0.00 54.13 50.51 2e8p s LEU 11 Cb -0.15 -0.26 0.17 0.00 0.03 0.00 0.00 46.19 45.98 2e8p s LEU 11 CO 0.09 -0.24 1.31 -1.83 0.23 0.00 0.00 176.35 175.91 2e8p s GLU 12 N 0.68 0.14 -0.25 1.70 -1.05 -1.26 -5.15 118.70 113.52 2e8p s GLU 12 Ca 0.24 -0.01 -0.11 0.00 -0.15 0.00 0.00 54.97 54.95 2e8p s GLU 12 Cb -0.11 0.06 -0.05 0.00 -0.44 0.00 0.00 34.13 33.60 2e8p s GLU 12 CO -0.08 -0.05 0.17 0.20 0.95 0.00 0.00 175.26 176.45 2e8p s GLY 13 N -1.48 1.97 -0.27 -3.83 0.00 -1.26 -5.04 107.32 97.41 2e8p s GLY 13 Ca 0.09 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 43.86 2e8p s GLY 13 CO -0.05 0.48 0.41 -0.51 0.00 0.00 0.00 173.10 173.43 2e8p s THR 14 N 1.28 -0.65 0.38 0.90 -4.23 -1.26 -5.16 115.64 106.90 2e8p s THR 14 Ca 0.08 -0.16 0.08 0.00 -1.18 0.00 0.00 61.69 60.51 2e8p s THR 14 Cb -0.14 -0.90 -0.07 0.00 1.34 0.00 0.00 72.50 72.73 2e8p s THR 14 CO 0.06 -0.18 0.02 -1.83 -0.54 0.00 0.00 174.62 172.16 2e8p s GLU 15 N 2.57 2.01 0.34 3.99 1.03 -1.26 -5.07 118.70 122.31 2e8p s GLU 15 Ca 0.12 -1.95 0.00 0.00 0.03 0.00 0.00 54.97 53.17 2e8p s GLU 15 Cb -0.14 -1.78 0.00 0.00 -0.80 0.00 0.00 34.13 31.41 2e8p s GLU 15 CO -0.22 0.01 0.00 1.63 -1.33 0.00 0.00 175.26 175.35 2e8p n LYS 16 N -0.99 -2.81 -3.74 -4.83 4.76 -1.26 -4.96 118.16 104.33 2e8p n LYS 16 Ca -0.04 1.88 -0.12 0.00 -2.87 0.00 0.00 58.31 57.16 2e8p n LYS 16 Cb 0.65 -3.42 -0.11 0.00 -1.84 0.00 0.00 35.03 30.31 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 -2.28 -0.90 0.36 7.82 0.00 -1.26 -5.02 121.76 120.48 2e8p s ALA 17 Ca 0.00 1.13 0.37 0.00 0.00 0.00 0.00 51.96 53.47 2e8p s ALA 17 Cb 0.00 -0.67 1.97 0.00 0.00 0.00 0.00 23.12 24.42 2e8p s ALA 17 CO 0.00 -0.19 2.14 0.66 0.00 0.00 0.00 175.76 178.37 2e8p h SER 18 N 6.06 0.00 -0.29 0.00 4.64 -1.96 0.13 113.55 122.13 2e8p h SER 18 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2e8p h SER 18 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2e8p h SER 18 CO 0.29 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.58 2e8p n TRP 19 N -2.86 0.89 -3.81 4.77 4.27 -1.26 -4.92 117.44 114.52 2e8p n TRP 19 Ca -0.02 -0.79 -0.36 0.00 -3.89 0.00 0.00 57.50 52.44 2e8p n TRP 19 Cb 0.10 -0.26 -0.12 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 -2.43 3.51 0.00 5.67 1.43 0.03 -4.36 118.68 122.53 2e8p s LEU 20 Ca 0.39 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 2e8p s LEU 20 Cb 0.30 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.58 2e8p s LEU 20 CO 0.11 -0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.30 2e8p n GLY 21 N 4.70 2.46 3.30 -3.19 0.00 -1.26 -4.80 105.19 106.40 2e8p n GLY 21 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.34 1.70 0.93 1.61 2.56 -1.26 -5.13 118.70 118.77 2e8p s GLU 22 Ca 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 54.97 53.87 2e8p s GLU 22 Cb 0.00 -1.80 0.15 0.00 2.00 0.00 0.00 34.13 34.48 2e8p s GLU 22 CO 0.00 0.47 1.10 1.04 -0.56 0.00 0.00 175.26 177.31 2e8p n GLN 23 N 1.96 -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 29.77 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 -4.14 0.07 0.10 -1.09 -0.04 -1.26 -2.25 135.00 126.38 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 -1.39 0.54 4.20 -1.90 -3.35 115.11 113.22 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 0.08 1.19 -0.67 0.00 0.00 178.83 179.74 2e8p n PHE 26 N -3.02 3.12 -3.67 2.96 3.01 -0.96 -3.28 117.46 115.62 2e8p n PHE 26 Ca -0.02 -2.69 -0.22 0.00 1.01 0.00 0.00 57.45 55.53 2e8p n PHE 26 Cb 0.73 -0.72 -0.01 0.00 -0.01 0.00 0.00 39.48 39.47 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 3.42 0.36 1.38 0.52 -1.25 -4.84 118.94 114.76 2e8p s TRP 27 Ca 0.53 0.09 0.07 0.00 0.02 0.00 0.00 56.10 56.82 2e8p s TRP 27 Cb 0.44 -1.76 -0.02 0.00 -1.15 0.00 0.00 33.47 30.97 2e8p s TRP 27 CO -0.17 0.24 0.35 -1.12 0.02 0.00 0.00 176.95 176.28 2e8p s SER 28 N -4.03 5.32 0.59 2.95 0.01 -0.68 -3.27 113.70 114.58 2e8p s SER 28 Ca 0.38 -0.52 0.29 0.00 1.31 0.00 0.00 55.95 57.40 2e8p s SER 28 Cb -0.09 -0.87 1.67 0.00 0.21 0.00 0.00 66.02 66.94 2e8p s SER 28 CO 0.32 -0.47 2.12 0.11 0.41 0.00 0.00 173.24 175.73 2e8p h LYS 29 N 1.11 0.00 0.08 12.44 1.57 -1.76 -2.08 116.57 127.93 2e8p h LYS 29 Ca -0.44 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.09 2e8p h LYS 29 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 2e8p h LYS 29 CO 0.57 0.00 -1.34 1.15 -0.57 0.00 0.00 179.45 179.26 2e8p h THR 30 N 0.00 1.01 -0.58 -0.16 2.02 -1.89 -3.32 112.91 109.98 2e8p h THR 30 Ca 0.08 -2.34 0.11 0.00 0.77 0.00 0.00 66.41 65.03 2e8p h THR 30 Cb 0.43 2.62 -0.08 0.00 -1.74 0.00 0.00 68.15 69.38 2e8p h THR 30 CO -0.00 0.63 0.11 1.56 0.37 0.00 0.00 175.52 178.18 2e8p h GLN 31 N -0.48 0.23 0.31 6.66 4.20 -1.73 0.20 115.11 124.50 2e8p h GLN 31 Ca -0.31 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 2e8p h GLN 31 Cb 1.63 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.34 2e8p h GLN 31 CO -0.01 0.15 -0.37 0.28 -0.67 0.00 0.00 178.83 178.22 2e8p h VAL 32 N 0.24 0.00 -0.12 -0.54 2.07 -1.57 0.26 116.25 116.59 2e8p h VAL 32 Ca 0.30 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.86 2e8p h VAL 32 Cb 0.45 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2e8p h VAL 32 CO -0.40 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.25 2e8p h LEU 33 N -0.69 0.00 -0.28 2.57 3.38 -1.59 0.11 115.31 118.81 2e8p h LEU 33 Ca -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 2e8p h LEU 33 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2e8p h LEU 33 CO -0.08 0.00 -0.55 0.44 0.09 0.00 0.00 178.44 178.34 2e8p h ASP 34 N 0.00 0.00 0.75 -0.43 5.19 0.35 -3.23 116.42 119.06 2e8p h ASP 34 Ca 0.06 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.22 2e8p h ASP 34 Cb 0.31 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 2e8p h ASP 34 CO -0.00 0.55 -1.12 -0.25 -3.12 0.00 0.00 179.24 175.30 2e8p h TRP 35 N 0.00 0.31 0.24 4.55 7.01 0.21 -3.31 115.95 124.96 2e8p h TRP 35 Ca -0.01 -0.22 -0.01 0.00 2.11 0.00 0.00 58.89 60.77 2e8p h TRP 35 Cb 1.30 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.35 2e8p h TRP 35 CO 0.00 1.15 -0.11 0.82 -2.79 0.00 0.00 178.44 177.51 2e8p h ILE 36 N 0.05 0.78 -0.95 2.65 2.04 -1.41 -2.48 117.51 118.19 2e8p h ILE 36 Ca -0.08 -0.05 0.21 0.00 1.00 0.00 0.00 64.86 65.94 2e8p h ILE 36 Cb 1.85 0.80 -0.08 0.00 -0.74 0.00 0.00 36.82 38.66 2e8p h ILE 36 CO 0.17 0.01 0.62 -1.28 0.00 0.00 0.00 178.15 177.67 2e8p h SER 37 N -0.34 0.48 -0.33 1.72 0.87 -1.67 0.30 113.55 114.58 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 0.26 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2e8p h SER 37 CO 0.05 0.18 0.17 0.22 -0.53 0.00 0.00 176.83 176.92 2e8p h TYR 38 N 0.47 0.46 0.00 2.24 3.20 -1.53 0.39 116.97 122.20 2e8p h TYR 38 Ca 0.51 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.31 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 -0.80 -2.15 115.11 115.46 2e8p h GLN 39 Ca 0.11 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.17 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 -0.66 0.28 -0.95 0.00 0.00 178.83 177.74 2e8p h VAL 40 N 0.00 1.20 0.00 -0.54 2.07 -0.08 -1.72 116.25 117.18 2e8p h VAL 40 Ca -0.00 -2.53 -0.12 0.00 0.82 0.00 0.00 66.70 64.87 2e8p h VAL 40 Cb 1.04 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 2e8p h VAL 40 CO 0.03 0.65 -1.36 1.21 0.02 0.00 0.00 177.57 178.12 2e8p n GLU 41 N -3.35 0.62 0.02 1.57 4.07 0.09 -2.05 120.64 121.61 2e8p n GLU 41 Ca 0.01 0.16 -0.10 0.00 -0.06 0.00 0.00 57.16 57.17 2e8p n GLU 41 Cb 0.77 -1.79 -0.13 0.00 -0.06 0.00 0.00 31.44 30.22 2e8p n GLU 41 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2e8p h LYS 42 N 0.00 0.05 -0.28 5.31 3.64 -1.42 -3.28 116.57 120.58 2e8p h LYS 42 Ca -0.12 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2e8p h LYS 42 Cb 1.40 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 2e8p h LYS 42 CO 0.03 0.78 0.00 0.09 -2.27 0.00 0.00 179.45 178.08 2e8p n ASN 43 N -3.22 1.68 -2.47 4.20 5.03 -0.65 -4.89 115.26 114.94 2e8p n ASN 43 Ca -0.11 -1.91 -0.13 0.00 0.87 0.00 0.00 54.58 53.30 2e8p n ASN 43 Cb 1.01 -0.18 -0.01 0.00 -1.02 0.00 0.00 39.78 39.58 2e8p n ASN 43 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2e8p n LYS 44 N 0.39 -2.28 -2.50 3.52 5.02 -1.24 -4.90 118.16 116.18 2e8p n LYS 44 Ca 0.12 0.60 -0.41 0.00 -2.02 0.00 0.00 58.31 56.60 2e8p n LYS 44 Cb 0.28 -5.20 -0.04 0.00 -0.02 0.00 0.00 35.03 30.06 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 -2.63 3.55 0.58 2.13 5.04 -0.87 -4.91 117.35 120.24 2e8p s TYR 45 Ca 0.01 1.51 0.28 0.00 -2.44 0.00 0.00 57.07 56.44 2e8p s TYR 45 Cb -0.01 -3.31 1.57 0.00 0.35 0.00 0.00 41.96 40.57 2e8p s TYR 45 CO 0.02 -0.78 2.03 0.22 -1.34 0.00 0.00 175.55 175.71 2e8p h ASP 46 N 5.76 0.00 -1.55 4.32 3.58 -1.90 -3.45 116.42 123.18 2e8p h ASP 46 Ca -0.43 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 56.67 2e8p h ASP 46 Cb 1.21 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.18 2e8p h ASP 46 CO 0.75 0.00 -0.37 0.00 -2.88 0.00 0.00 179.24 176.74 2e8p n ALA 47 N -2.37 -0.37 -1.22 -0.78 0.00 -1.26 -4.87 120.51 109.64 2e8p n ALA 47 Ca 0.04 0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.65 2e8p n ALA 47 Cb 0.44 -1.82 0.23 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.97 3.53 0.00 0.00 2.88 -1.26 -4.49 113.62 113.30 2e8p n SER 48 Ca -0.18 -3.45 0.00 0.00 -1.33 0.00 0.00 58.87 53.91 2e8p n SER 48 Cb 0.60 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 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 -0.77 2.06 -1.62 -1.46 0.00 -1.26 -5.08 120.51 112.37 2e8p n ALA 49 Ca 0.36 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.35 2e8p n ALA 49 Cb 1.18 0.15 -0.02 0.00 0.00 0.00 0.00 19.45 20.75 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 -1.85 1.48 -3.44 0.00 5.41 -1.26 -4.62 119.36 115.08 2e8p n ILE 50 Ca 0.00 -0.37 -0.38 0.00 1.00 0.00 0.00 62.75 63.00 2e8p n ILE 50 Cb 0.15 -1.16 -0.04 0.00 -0.71 0.00 0.00 39.64 37.88 2e8p n ILE 50 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2e8p n ASP 51 N 1.57 4.81 0.20 4.38 9.92 0.80 -4.87 116.55 133.37 2e8p n ASP 51 Ca 0.11 -3.21 0.18 0.00 -0.53 0.00 0.00 54.79 51.33 2e8p n ASP 51 Cb 0.31 -1.10 0.83 0.00 -0.64 0.00 0.00 41.12 40.52 2e8p n ASP 51 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2e8p h PHE 52 N 5.74 0.00 -0.29 1.24 -1.00 -1.92 -0.33 116.94 120.38 2e8p h PHE 52 Ca 0.18 0.00 0.08 0.00 2.81 0.00 0.00 57.97 61.04 2e8p h PHE 52 Cb 0.76 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 2e8p h PHE 52 CO 0.78 0.00 0.29 1.03 -1.61 0.00 0.00 178.31 178.80 2e8p h SER 53 N 0.00 0.00 -0.43 2.17 0.87 -1.93 0.24 113.55 114.47 2e8p h SER 53 Ca 0.09 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.53 2e8p h SER 53 Cb 0.54 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.43 2e8p h SER 53 CO -0.00 0.00 0.07 0.54 -0.53 0.00 0.00 176.83 176.91 2e8p n ARG 54 N -3.91 2.79 -2.51 2.24 1.74 -0.14 -4.73 116.66 112.15 2e8p n ARG 54 Ca 0.04 -3.01 -0.41 0.00 -0.77 0.00 0.00 57.85 53.70 2e8p n ARG 54 Cb 0.44 -1.94 0.02 0.00 -1.02 0.00 0.00 32.46 29.95 2e8p n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2e8p n ASP 56 N 0.04 5.73 -3.86 0.00 9.92 -1.26 -4.90 116.55 122.22 2e8p n ASP 56 Ca 0.49 -3.18 -0.29 0.00 -0.53 0.00 0.00 54.79 51.28 2e8p n ASP 56 Cb 0.26 -1.42 -0.16 0.00 -0.64 0.00 0.00 41.12 39.16 2e8p n ASP 56 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2e8p s MET 57 N -0.47 1.23 0.03 -1.24 -1.94 -1.26 -5.01 119.30 110.65 2e8p s MET 57 Ca 0.40 -0.63 -0.24 0.00 -1.71 0.00 0.00 55.69 53.50 2e8p s MET 57 Cb 0.10 -2.21 -0.17 0.00 2.01 0.00 0.00 34.83 34.55 2e8p s MET 57 CO 0.01 -0.55 1.49 0.38 -0.01 0.00 0.00 175.02 176.34 2e8p h ASP 58 N 8.11 0.01 0.00 3.03 2.03 -1.86 -3.41 116.42 124.33 2e8p h ASP 58 Ca -0.19 -0.26 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2e8p h ASP 58 Cb 1.10 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 2e8p h ASP 58 CO 0.38 0.27 0.00 0.61 -1.03 0.00 0.00 179.24 179.47 2e8p n GLY 59 N -0.40 -0.30 0.22 7.15 0.00 -1.20 -1.69 105.19 108.97 2e8p n GLY 59 Ca -0.08 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 1.10 0.00 4.61 0.00 -1.70 -2.83 119.26 120.45 2e8p h ALA 60 Ca 0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 2e8p h ALA 60 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2e8p h ALA 60 CO 0.00 0.31 -0.87 1.15 0.00 0.00 0.00 179.25 179.84 2e8p h THR 61 N 0.00 1.51 -0.10 0.00 2.02 -1.91 -2.41 112.91 112.02 2e8p h THR 61 Ca -0.00 -2.64 -0.04 0.00 0.77 0.00 0.00 66.41 64.50 2e8p h THR 61 Cb 0.68 2.47 -0.00 0.00 -1.74 0.00 0.00 68.15 69.55 2e8p h THR 61 CO 0.03 0.77 -0.09 0.25 0.37 0.00 0.00 175.52 176.85 2e8p h LEU 62 N 0.09 0.25 -1.34 2.58 5.85 -1.82 0.24 115.31 121.16 2e8p h LEU 62 Ca -0.04 -0.48 -0.06 0.00 0.84 0.00 0.00 57.88 58.15 2e8p h LEU 62 Cb 1.49 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 2e8p h LEU 62 CO 0.13 0.68 -0.27 0.00 -0.34 0.00 0.00 178.44 178.64 2e8p h ASN 64 N 0.00 0.00 -3.29 0.00 2.35 -1.34 -3.47 115.58 109.84 2e8p h ASN 64 Ca -0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 2e8p h ASN 64 Cb 0.64 0.00 0.18 0.00 0.05 0.00 0.00 38.32 39.19 2e8p h ASN 64 CO 0.03 0.61 -0.27 0.00 -1.65 0.00 0.00 177.43 176.16 2e8p s ALA 66 N -1.82 3.32 0.09 0.00 0.00 -1.26 -4.94 121.76 117.15 2e8p s ALA 66 Ca 0.68 -0.25 -0.32 0.00 0.00 0.00 0.00 51.96 52.08 2e8p s ALA 66 Cb -0.37 -2.74 -0.14 0.00 0.00 0.00 0.00 23.12 19.87 2e8p s ALA 66 CO 0.55 -0.18 1.50 1.25 0.00 0.00 0.00 175.76 178.88 2e8p h LEU 67 N 0.81 -1.41 -0.78 0.00 5.85 -1.98 -1.55 115.31 116.25 2e8p h LEU 67 Ca -0.47 0.14 0.14 0.00 0.84 0.00 0.00 57.88 58.54 2e8p h LEU 67 Cb 1.19 0.51 -0.09 0.00 0.37 0.00 0.00 40.66 42.64 2e8p h LEU 67 CO 0.63 -0.53 0.35 1.05 -0.34 0.00 0.00 178.44 179.60 2e8p h GLU 68 N -0.73 0.49 -0.27 1.25 4.11 -1.97 -1.61 114.58 115.85 2e8p h GLU 68 Ca -0.02 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.45 2e8p h GLU 68 Cb 0.71 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 2e8p h GLU 68 CO -0.22 0.33 -0.19 0.93 0.07 0.00 0.00 179.01 179.93 2e8p h GLU 69 N 0.51 -0.17 -0.09 1.06 5.08 -1.77 0.17 114.58 119.37 2e8p h GLU 69 Ca 0.43 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.83 2e8p h GLU 69 Cb 0.63 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 2e8p h GLU 69 CO -0.38 -0.11 0.10 -0.07 -1.00 0.00 0.00 179.01 177.54 2e8p h LEU 70 N -0.18 0.00 0.00 1.33 3.38 -0.34 0.25 115.31 119.76 2e8p h LEU 70 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2e8p h LEU 70 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2e8p h LEU 70 CO -0.38 0.00 -0.21 0.54 0.09 0.00 0.00 178.44 178.48 2e8p n ARG 71 N -3.87 0.22 0.06 1.13 1.74 0.48 -1.45 116.66 114.97 2e8p n ARG 71 Ca -0.01 0.13 0.09 0.00 -0.77 0.00 0.00 57.85 57.29 2e8p n ARG 71 Cb 0.20 -1.71 -0.06 0.00 -1.02 0.00 0.00 32.46 29.87 2e8p n ARG 71 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2e8p n LEU 72 N -2.07 0.62 -0.08 0.55 7.99 0.84 -2.42 117.00 122.44 2e8p n LEU 72 Ca 0.05 0.25 -0.06 0.00 -0.01 0.00 0.00 56.01 56.24 2e8p n LEU 72 Cb 0.41 -0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.57 2e8p n LEU 72 CO 0.32 -0.06 -1.06 0.52 -1.51 0.00 0.00 177.39 175.60 2e8p n VAL 73 N -2.62 1.09 -1.27 4.08 0.31 -0.87 -4.44 118.33 114.61 2e8p n VAL 73 Ca -0.04 -0.75 0.06 0.00 -0.01 0.00 0.00 64.34 63.60 2e8p n VAL 73 Cb 0.63 -0.41 0.19 0.00 -0.91 0.00 0.00 33.84 33.35 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 0.42 -4.47 3.52 3.72 -0.53 -0.14 117.46 117.36 2e8p n PHE 74 Ca -0.26 -1.23 0.00 0.00 -0.05 0.00 0.00 57.45 55.91 2e8p n PHE 74 Cb 1.02 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 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 -1.11 1.04 0.00 1.37 0.00 -1.02 -2.19 105.19 103.28 2e8p n GLY 75 Ca 0.22 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.71 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 0.13 0.15 0.18 1.61 -0.04 -1.26 -2.46 135.00 133.30 2e8p n PRO 76 Ca 0.00 0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.70 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 -1.26 1.53 5.85 -1.76 -3.22 115.31 116.45 2e8p h LEU 77 Ca 0.00 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.91 2e8p h LEU 77 Cb 0.17 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 2e8p h LEU 77 CO 0.00 0.37 0.61 1.23 -0.34 0.00 0.00 178.44 180.31 2e8p h GLY 78 N 2.65 1.32 0.97 3.75 0.00 -1.47 0.20 103.07 110.49 2e8p h GLY 78 Ca -0.00 -0.28 0.13 0.00 0.00 0.00 0.00 47.33 47.17 2e8p h GLY 78 CO 0.05 -0.01 0.39 -1.80 0.00 0.00 0.00 176.54 175.17 2e8p h ASP 79 N 0.62 0.00 0.08 0.19 3.58 -1.80 0.22 116.42 119.31 2e8p h ASP 79 Ca 0.51 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.64 2e8p h ASP 79 Cb 0.98 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.00 2e8p h ASP 79 CO -0.27 0.00 -1.77 0.00 -2.88 0.00 0.00 179.24 174.32 2e8p n GLN 80 N -4.03 0.69 -0.18 0.28 1.13 0.65 -3.80 117.38 112.12 2e8p n GLN 80 Ca 0.08 0.37 -0.04 0.00 -1.94 0.00 0.00 57.00 55.47 2e8p n GLN 80 Cb 0.59 -1.72 0.06 0.00 0.11 0.00 0.00 30.24 29.28 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 -0.30 0.39 -0.37 1.08 3.38 -0.67 -2.38 115.31 116.45 2e8p h LEU 81 Ca -0.41 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.63 2e8p h LEU 81 Cb 1.79 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.45 2e8p h LEU 81 CO -0.02 0.27 0.15 -0.74 0.09 0.00 0.00 178.44 178.19 2e8p h HIS 82 N 0.53 0.28 -0.67 1.13 2.76 -1.17 -1.25 115.15 116.76 2e8p h HIS 82 Ca 0.24 0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.54 2e8p h HIS 82 Cb 0.14 -0.07 -0.09 0.00 1.55 0.00 0.00 27.41 28.94 2e8p h HIS 82 CO -0.10 0.13 0.22 0.00 -1.30 0.00 0.00 177.93 176.88 2e8p h ALA 83 N 1.22 0.87 0.03 5.26 0.00 -1.53 0.49 119.26 125.59 2e8p h ALA 83 Ca 0.16 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2e8p h ALA 83 Cb 0.11 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2e8p h ALA 83 CO -0.14 -0.24 -0.01 1.96 0.00 0.00 0.00 179.25 180.81 2e8p h GLN 84 N 0.36 -0.04 -0.84 0.00 1.08 -1.07 -2.93 115.11 111.68 2e8p h GLN 84 Ca 0.35 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.67 2e8p h GLN 84 Cb 0.51 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.89 2e8p h GLN 84 CO -0.39 0.21 0.54 -0.07 -0.95 0.00 0.00 178.83 178.18 2e8p h LEU 85 N -0.29 0.65 -2.32 1.46 3.38 -0.59 0.15 115.31 117.76 2e8p h LEU 85 Ca -0.00 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2e8p h LEU 85 Cb 0.27 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2e8p h LEU 85 CO 0.01 0.36 0.05 0.03 0.09 0.00 0.00 178.44 178.97 2e8p h ARG 86 N 0.70 0.00 0.00 1.13 3.08 -0.73 -0.99 114.38 117.57 2e8p h ARG 86 Ca 0.40 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.18 2e8p h ARG 86 Cb 0.58 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 2e8p h ARG 86 CO -0.17 0.00 -1.68 -0.25 -1.07 0.00 0.00 179.97 176.81 2e8p n ASP 87 N -4.00 0.86 -0.01 7.04 9.92 0.44 -3.92 116.55 126.88 2e8p n ASP 87 Ca -0.02 0.40 -0.13 0.00 -0.53 0.00 0.00 54.79 54.52 2e8p n ASP 87 Cb 0.14 -0.01 -0.09 0.00 -0.64 0.00 0.00 41.12 40.51 2e8p n ASP 87 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2e8p h LEU 88 N 0.00 0.02 -0.14 0.64 3.38 -0.33 -3.28 115.31 115.60 2e8p h LEU 88 Ca -0.27 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.32 2e8p h LEU 88 Cb 1.96 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.64 2e8p h LEU 88 CO 0.07 0.44 -0.28 0.71 0.09 0.00 0.00 178.44 179.48 2e8p h THR 89 N -0.41 0.35 -2.93 0.22 1.35 -1.41 -3.43 112.91 106.64 2e8p h THR 89 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.92 2e8p h THR 89 Cb 0.44 0.35 -0.04 0.00 -1.73 0.00 0.00 68.15 67.17 2e8p h THR 89 CO 0.00 0.00 0.27 -0.94 -0.25 0.00 0.00 175.52 174.60 2e8p s SER 90 N -4.96 -0.18 -0.29 5.36 1.04 -1.24 -4.95 113.70 108.48 2e8p s SER 90 Ca -0.15 -0.72 0.10 0.00 0.48 0.00 0.00 55.95 55.66 2e8p s SER 90 Cb 0.11 0.73 0.55 0.00 0.10 0.00 0.00 66.02 67.51 2e8p s SER 90 CO 0.67 -1.38 1.54 -1.54 0.98 0.00 0.00 173.24 173.50 2e8p n SER 91 N -0.71 3.11 0.00 7.02 3.41 -1.26 -4.22 113.62 120.97 2e8p n SER 91 Ca -0.05 -3.55 0.00 0.00 -0.26 0.00 0.00 58.87 55.01 2e8p n SER 91 Cb 0.59 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2e8p n SER 91 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34