#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 6.39 0.33 1.61 1.04 -1.26 -4.98 113.70 116.83 2e8p s SER 2 Ca 0.00 -0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.31 2e8p s SER 2 Cb 0.00 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.61 2e8p s SER 2 CO 0.00 -1.38 0.37 -0.44 0.98 0.00 0.00 173.24 172.77 2e8p s SER 3 N 2.94 1.17 0.00 7.02 0.01 -1.26 -5.10 113.70 118.48 2e8p s SER 3 Ca 0.37 -1.58 0.00 0.00 1.31 0.00 0.00 55.95 56.04 2e8p s SER 3 Cb -0.10 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2e8p s SER 3 CO 0.22 -1.17 0.00 0.61 0.41 0.00 0.00 173.24 173.31 2e8p n GLY 4 N -0.57 0.00 3.24 3.44 0.00 -1.26 -5.10 105.19 104.95 2e8p n GLY 4 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 2e8p n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e8p s SER 5 N -4.42 -0.39 0.78 1.61 0.15 -1.26 -5.16 113.70 105.02 2e8p s SER 5 Ca 0.00 0.87 -0.12 0.00 0.70 0.00 0.00 55.95 57.40 2e8p s SER 5 Cb 0.00 0.86 0.07 0.00 -1.71 0.00 0.00 66.02 65.24 2e8p s SER 5 CO 0.00 -0.20 1.14 -0.55 1.20 0.00 0.00 173.24 174.83 2e8p s SER 6 N 1.71 4.09 0.00 5.45 0.15 -1.26 -5.06 113.70 118.78 2e8p s SER 6 Ca -0.07 2.08 0.00 0.00 0.70 0.00 0.00 55.95 58.66 2e8p s SER 6 Cb -0.10 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2e8p s SER 6 CO -0.12 -2.32 0.00 0.61 1.20 0.00 0.00 173.24 172.61 2e8p n GLY 7 N -0.31 4.33 3.08 9.45 0.00 -1.26 -5.16 105.19 115.32 2e8p n GLY 7 Ca 0.11 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 2e8p n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2e8p s GLN 8 N 2.26 0.45 -0.31 1.61 -2.07 -1.26 -5.05 119.66 115.28 2e8p s GLN 8 Ca 0.00 -0.42 0.08 0.00 -1.82 0.00 0.00 55.36 53.19 2e8p s GLN 8 Cb 0.00 0.18 0.47 0.00 -1.09 0.00 0.00 33.01 32.57 2e8p s GLN 8 CO 0.00 -0.10 1.39 0.00 -1.32 0.00 0.00 175.29 175.26 2e8p n MET 9 N 1.51 2.40 -4.15 9.60 0.00 -1.26 -4.99 117.12 120.23 2e8p n MET 9 Ca -0.23 -3.52 -0.15 0.00 0.00 0.00 0.00 57.70 53.80 2e8p n MET 9 Cb 0.55 -1.96 -0.14 0.00 0.00 0.00 0.00 33.22 31.67 2e8p n MET 9 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2e8p s SER 10 N -2.92 0.70 0.17 3.17 0.01 -1.26 -5.16 113.70 108.41 2e8p s SER 10 Ca 0.47 -0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.56 2e8p s SER 10 Cb 0.41 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 2e8p s SER 10 CO -0.00 0.00 0.25 -0.76 0.41 0.00 0.00 173.24 173.13 2e8p s LEU 11 N -0.49 4.15 -0.21 2.44 1.02 -1.26 -5.12 118.68 119.21 2e8p s LEU 11 Ca -0.01 0.04 -0.14 0.00 0.02 0.00 0.00 54.13 54.05 2e8p s LEU 11 Cb -0.04 -2.72 0.06 0.00 0.02 0.00 0.00 46.19 43.51 2e8p s LEU 11 CO -0.00 0.03 0.51 -0.70 0.02 0.00 0.00 176.35 176.22 2e8p s GLU 12 N -3.36 0.54 -0.98 1.70 2.56 -1.26 -4.98 118.70 112.93 2e8p s GLU 12 Ca 0.33 0.88 -0.05 0.00 0.00 0.00 0.00 54.97 56.13 2e8p s GLU 12 Cb -0.10 0.11 -0.05 0.00 2.00 0.00 0.00 34.13 36.09 2e8p s GLU 12 CO 0.27 -0.13 0.85 0.41 -0.56 0.00 0.00 175.26 176.10 2e8p n GLY 13 N 3.86 -1.18 2.47 -1.50 0.00 -1.26 -4.99 105.19 102.58 2e8p n GLY 13 Ca -0.20 0.55 -0.26 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.92 0.36 -4.47 2.61 -2.24 -1.26 -5.09 114.28 101.27 2e8p n THR 14 Ca -0.06 -4.30 -0.23 0.00 -2.27 0.00 0.00 64.05 57.19 2e8p n THR 14 Cb 0.59 -1.95 -0.13 0.00 -2.10 0.00 0.00 70.33 66.73 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 -1.17 1.16 0.36 -0.78 2.12 -1.26 -5.08 118.70 114.04 2e8p s GLU 15 Ca 0.33 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.76 2e8p s GLU 15 Cb 0.08 -1.25 0.00 0.00 0.26 0.00 0.00 34.13 33.22 2e8p s GLU 15 CO -0.13 0.31 0.00 1.63 -0.54 0.00 0.00 175.26 176.53 2e8p n LYS 16 N 1.74 -2.87 -4.98 4.30 4.76 -1.26 -4.88 118.16 114.98 2e8p n LYS 16 Ca -0.18 1.94 -0.28 0.00 -2.87 0.00 0.00 58.31 56.93 2e8p n LYS 16 Cb 0.54 -3.48 -0.16 0.00 -1.84 0.00 0.00 35.03 30.08 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 -2.41 1.73 0.40 7.82 0.00 -1.26 -5.00 121.76 123.04 2e8p s ALA 17 Ca 0.00 -0.82 0.38 0.00 0.00 0.00 0.00 51.96 51.53 2e8p s ALA 17 Cb 0.00 -0.54 2.03 0.00 0.00 0.00 0.00 23.12 24.61 2e8p s ALA 17 CO 0.00 0.34 2.17 1.03 0.00 0.00 0.00 175.76 179.30 2e8p h SER 18 N 6.11 0.00 -0.29 0.00 0.87 -1.95 0.11 113.55 118.40 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 0.89 -3.81 2.24 4.27 -1.26 -4.91 117.44 111.97 2e8p n TRP 19 Ca -0.02 -0.80 -0.36 0.00 -3.89 0.00 0.00 57.50 52.43 2e8p n TRP 19 Cb 0.10 -0.27 -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 -2.48 3.48 0.00 5.67 1.43 0.02 -4.37 118.68 122.43 2e8p s LEU 20 Ca 0.39 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2e8p s LEU 20 Cb 0.30 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.60 2e8p s LEU 20 CO 0.10 -0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.29 2e8p n GLY 21 N 4.72 2.46 3.30 -3.19 0.00 -1.26 -4.80 105.19 106.43 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 1.71 0.93 1.61 2.56 -1.26 -5.13 118.70 118.79 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 -1.82 0.15 0.00 2.00 0.00 0.00 34.13 34.47 2e8p s GLU 22 CO 0.00 0.48 1.10 1.04 -0.56 0.00 0.00 175.26 177.32 2e8p n GLN 23 N 1.97 -0.56 0.00 4.30 6.02 -1.26 -4.87 117.38 122.98 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 29.77 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 -4.17 0.07 0.10 -1.09 -0.04 -1.26 -2.25 135.00 126.36 2e8p n PRO 24 Ca 0.11 0.22 0.04 0.00 -0.04 0.00 0.00 63.50 63.83 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 -1.38 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 -0.36 0.00 0.30 0.00 0.00 27.48 27.63 2e8p h GLN 25 CO 0.00 0.30 0.06 1.19 -0.67 0.00 0.00 178.83 179.71 2e8p n PHE 26 N -3.01 3.12 -3.75 2.96 3.01 -0.95 -2.88 117.46 115.96 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 -0.71 -0.02 0.00 -0.01 0.00 0.00 39.48 39.46 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 3.47 0.41 1.38 0.52 -1.25 -4.84 118.94 114.87 2e8p s TRP 27 Ca 0.53 0.12 0.08 0.00 0.02 0.00 0.00 56.10 56.85 2e8p s TRP 27 Cb 0.43 -1.69 -0.02 0.00 -1.15 0.00 0.00 33.47 31.04 2e8p s TRP 27 CO -0.17 0.32 0.38 -1.12 0.02 0.00 0.00 176.95 176.39 2e8p s SER 28 N -3.99 5.10 0.58 2.95 0.01 -0.62 -3.06 113.70 114.67 2e8p s SER 28 Ca 0.36 -0.71 0.28 0.00 1.31 0.00 0.00 55.95 57.20 2e8p s SER 28 Cb -0.09 -0.61 1.74 0.00 0.21 0.00 0.00 66.02 67.27 2e8p s SER 28 CO 0.32 -0.63 2.22 0.11 0.41 0.00 0.00 173.24 175.66 2e8p h LYS 29 N 1.03 0.00 0.15 12.44 1.57 -1.80 -2.14 116.57 127.83 2e8p h LYS 29 Ca -0.42 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.05 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 0.57 0.00 -1.61 1.15 -0.57 0.00 0.00 179.45 178.99 2e8p h THR 30 N 0.00 0.97 -0.24 -0.16 2.02 -1.91 -3.31 112.91 110.27 2e8p h THR 30 Ca 0.02 -2.45 0.04 0.00 0.77 0.00 0.00 66.41 64.79 2e8p h THR 30 Cb 0.08 2.73 -0.04 0.00 -1.74 0.00 0.00 68.15 69.19 2e8p h THR 30 CO -0.00 0.79 -0.03 1.56 0.37 0.00 0.00 175.52 178.22 2e8p h GLN 31 N -0.08 0.04 0.12 6.66 4.20 -1.73 0.91 115.11 125.22 2e8p h GLN 31 Ca -0.33 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.38 2e8p h GLN 31 Cb 1.94 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.69 2e8p h GLN 31 CO 0.12 0.03 -0.27 0.28 -0.67 0.00 0.00 178.83 178.31 2e8p h VAL 32 N 0.04 0.00 -0.51 -0.54 2.07 -1.57 0.27 116.25 116.01 2e8p h VAL 32 Ca 0.11 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.78 2e8p h VAL 32 Cb 0.16 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 2e8p h VAL 32 CO -0.21 0.00 0.36 -0.07 0.02 0.00 0.00 177.57 177.67 2e8p h LEU 33 N -0.43 0.01 -0.74 2.57 3.38 -1.63 0.26 115.31 118.73 2e8p h LEU 33 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2e8p h LEU 33 Cb 0.41 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2e8p h LEU 33 CO -0.12 0.00 -0.54 0.44 0.09 0.00 0.00 178.44 178.31 2e8p h ASP 34 N 0.01 0.00 0.84 -0.43 5.19 0.27 -3.10 116.42 119.21 2e8p h ASP 34 Ca 0.24 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.42 2e8p h ASP 34 Cb 0.96 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.45 2e8p h ASP 34 CO -0.00 0.54 -1.06 -0.25 -3.12 0.00 0.00 179.24 175.35 2e8p h TRP 35 N 0.00 0.18 0.19 4.55 7.01 0.30 -3.31 115.95 124.86 2e8p h TRP 35 Ca -0.01 -0.13 -0.01 0.00 2.11 0.00 0.00 58.89 60.86 2e8p h TRP 35 Cb 1.08 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.13 2e8p h TRP 35 CO 0.00 1.08 -0.09 0.82 -2.79 0.00 0.00 178.44 177.46 2e8p h ILE 36 N 0.03 0.84 -0.94 2.65 2.04 -1.25 -2.53 117.51 118.36 2e8p h ILE 36 Ca -0.05 -0.13 0.22 0.00 1.00 0.00 0.00 64.86 65.89 2e8p h ILE 36 Cb 1.80 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.74 2e8p h ILE 36 CO 0.15 0.03 0.62 -1.28 0.00 0.00 0.00 178.15 177.67 2e8p h SER 37 N -0.31 0.42 -0.37 1.72 0.87 -1.66 0.31 113.55 114.52 2e8p h SER 37 Ca -0.03 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2e8p h SER 37 Cb 0.24 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 2e8p h SER 37 CO 0.04 0.15 0.17 0.22 -0.53 0.00 0.00 176.83 176.88 2e8p h TYR 38 N 0.41 0.55 0.00 2.24 3.20 -1.55 0.75 116.97 122.58 2e8p h TYR 38 Ca 0.50 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.28 2e8p h TYR 38 Cb 1.24 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 2e8p h TYR 38 CO -0.00 0.48 -0.23 1.96 -1.64 0.00 0.00 178.16 178.72 2e8p h GLN 39 N 0.46 0.00 0.00 1.82 1.08 -0.79 -2.37 115.11 115.30 2e8p h GLN 39 Ca 0.13 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.16 2e8p h GLN 39 Cb 0.15 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 2e8p h GLN 39 CO -0.01 0.23 -0.78 0.28 -0.95 0.00 0.00 178.83 177.60 2e8p h VAL 40 N 0.00 1.37 0.00 -0.54 2.07 -0.11 -1.75 116.25 117.28 2e8p h VAL 40 Ca -0.00 -2.89 -0.15 0.00 0.82 0.00 0.00 66.70 64.48 2e8p h VAL 40 Cb 1.08 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 33.47 2e8p h VAL 40 CO 0.03 0.77 -1.25 -0.08 0.02 0.00 0.00 177.57 177.06 2e8p h GLU 41 N 0.00 0.00 0.13 1.57 4.57 -0.83 -2.54 114.58 117.48 2e8p h GLU 41 Ca -0.01 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.86 2e8p h GLU 41 Cb 1.58 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.17 2e8p h GLU 41 CO 0.10 0.32 -1.57 -0.22 -1.18 0.00 0.00 179.01 176.46 2e8p h LYS 42 N 0.00 0.27 0.00 1.92 3.64 -1.48 -3.28 116.57 117.64 2e8p h LYS 42 Ca -0.13 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 2e8p h LYS 42 Cb 1.54 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 2e8p h LYS 42 CO 0.05 1.13 0.00 0.09 -2.27 0.00 0.00 179.45 178.45 2e8p n ASN 43 N -3.47 0.00 -1.39 4.20 5.03 -0.66 -4.87 115.26 114.10 2e8p n ASN 43 Ca -0.18 -0.51 -0.17 0.00 0.87 0.00 0.00 54.58 54.59 2e8p n ASN 43 Cb 1.05 -0.15 -0.07 0.00 -1.02 0.00 0.00 39.78 39.59 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 -1.15 -1.23 -2.05 3.52 5.02 -1.22 -4.95 118.16 116.10 2e8p n LYS 44 Ca 0.18 1.09 -0.38 0.00 -2.02 0.00 0.00 58.31 57.18 2e8p n LYS 44 Cb 0.17 -5.35 0.01 0.00 -0.02 0.00 0.00 35.03 29.84 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 -2.67 2.66 0.43 2.13 5.04 -0.96 -4.90 117.35 119.08 2e8p s TYR 45 Ca 0.00 1.45 0.24 0.00 -2.44 0.00 0.00 57.07 56.33 2e8p s TYR 45 Cb 0.00 -3.58 1.37 0.00 0.35 0.00 0.00 41.96 40.09 2e8p s TYR 45 CO 0.00 -2.11 2.06 0.22 -1.34 0.00 0.00 175.55 174.38 2e8p h ASP 46 N 1.97 0.00 -1.83 4.32 3.58 -1.92 -3.45 116.42 119.08 2e8p h ASP 46 Ca -0.50 0.00 -0.40 0.00 0.42 0.00 0.00 57.03 56.55 2e8p h ASP 46 Cb 1.27 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.22 2e8p h ASP 46 CO 0.60 0.13 -0.43 0.00 -2.88 0.00 0.00 179.24 176.65 2e8p n ALA 47 N -2.34 -0.43 -1.22 -0.78 0.00 -1.26 -4.86 120.51 109.63 2e8p n ALA 47 Ca -0.02 0.24 -0.05 0.00 0.00 0.00 0.00 53.44 53.61 2e8p n ALA 47 Cb 0.23 -2.03 0.24 0.00 0.00 0.00 0.00 19.45 17.89 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 -1.45 3.56 0.00 0.00 2.88 -1.26 -4.46 113.62 112.89 2e8p n SER 48 Ca -0.21 -3.45 0.00 0.00 -1.33 0.00 0.00 58.87 53.87 2e8p n SER 48 Cb 0.66 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 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 1.95 -1.64 -1.46 0.00 -1.26 -5.04 120.51 112.29 2e8p n ALA 49 Ca 0.37 0.00 -0.52 0.00 0.00 0.00 0.00 53.44 53.29 2e8p n ALA 49 Cb 1.20 0.27 -0.06 0.00 0.00 0.00 0.00 19.45 20.85 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 -1.99 0.41 -0.08 0.00 5.41 -1.26 -4.75 119.36 117.11 2e8p n ILE 50 Ca 0.00 -0.13 0.01 0.00 1.00 0.00 0.00 62.75 63.63 2e8p n ILE 50 Cb 0.28 -1.63 0.31 0.00 -0.71 0.00 0.00 39.64 37.89 2e8p n ILE 50 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2e8p h ASP 51 N 9.36 0.62 -2.49 4.38 3.58 -1.92 -3.46 116.42 126.50 2e8p h ASP 51 Ca -0.43 -0.05 -0.34 0.00 0.42 0.00 0.00 57.03 56.63 2e8p h ASP 51 Cb 1.30 -0.16 -0.07 0.00 1.72 0.00 0.00 39.33 42.12 2e8p h ASP 51 CO 0.97 0.53 -0.38 0.49 -2.88 0.00 0.00 179.24 177.97 2e8p n PHE 52 N -4.39 -0.79 0.00 0.28 3.72 -1.26 -4.72 117.46 110.30 2e8p n PHE 52 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2e8p n PHE 52 Cb 0.12 -3.20 0.00 0.00 -0.94 0.00 0.00 39.48 35.45 2e8p n PHE 52 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2e8p n SER 53 N -1.48 2.61 0.16 4.37 7.64 -1.26 -4.77 113.62 120.89 2e8p n SER 53 Ca -0.18 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.74 2e8p n SER 53 Cb 0.61 0.04 0.12 0.00 -1.01 0.00 0.00 64.21 63.97 2e8p n SER 53 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2e8p h ARG 54 N 0.00 0.00 -5.16 1.43 3.08 -1.91 -3.39 114.38 108.42 2e8p h ARG 54 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 2e8p h ARG 54 Cb 0.63 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 2e8p h ARG 54 CO 0.00 0.44 1.88 0.00 -1.07 0.00 0.00 179.97 181.22 2e8p n ASP 56 N 10.36 3.47 -4.69 0.00 9.92 -1.26 -4.96 116.55 129.39 2e8p n ASP 56 Ca 0.48 -1.98 -0.42 0.00 -0.53 0.00 0.00 54.79 52.34 2e8p n ASP 56 Cb 0.44 -0.35 -0.03 0.00 -0.64 0.00 0.00 41.12 40.54 2e8p n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2e8p s MET 57 N -1.07 4.32 0.06 -1.24 0.23 -1.26 -4.93 119.30 115.41 2e8p s MET 57 Ca 0.38 1.81 -0.17 0.00 -1.03 0.00 0.00 55.69 56.69 2e8p s MET 57 Cb 0.20 -3.55 -0.16 0.00 -1.53 0.00 0.00 34.83 29.79 2e8p s MET 57 CO 0.27 -0.50 1.28 0.38 -2.03 0.00 0.00 175.02 174.42 2e8p h ASP 58 N 7.60 0.69 0.00 -1.18 2.03 -1.84 -3.41 116.42 120.30 2e8p h ASP 58 Ca -0.36 -0.60 0.00 0.00 -0.73 0.00 0.00 57.03 55.34 2e8p h ASP 58 Cb 1.17 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 2e8p h ASP 58 CO 0.89 1.17 0.00 0.61 -1.03 0.00 0.00 179.24 180.88 2e8p n GLY 59 N 0.59 -1.83 0.39 7.15 0.00 -1.17 -1.59 105.19 108.73 2e8p n GLY 59 Ca -0.07 0.61 0.21 0.00 0.00 0.00 0.00 46.02 46.77 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 2.52 0.00 4.61 0.00 -1.69 0.25 119.26 124.95 2e8p h ALA 60 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2e8p h ALA 60 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2e8p h ALA 60 CO 0.00 -0.69 -0.52 1.15 0.00 0.00 0.00 179.25 179.19 2e8p h THR 61 N 0.03 0.90 -0.09 0.00 2.02 -1.91 -3.10 112.91 110.75 2e8p h THR 61 Ca 0.28 -2.26 -0.04 0.00 0.77 0.00 0.00 66.41 65.16 2e8p h THR 61 Cb 1.09 2.44 -0.00 0.00 -1.74 0.00 0.00 68.15 69.94 2e8p h THR 61 CO -0.01 0.51 -0.11 0.25 0.37 0.00 0.00 175.52 176.53 2e8p h LEU 62 N 0.00 0.26 -1.63 2.58 5.85 -0.84 0.05 115.31 121.58 2e8p h LEU 62 Ca -0.01 -0.50 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 2e8p h LEU 62 Cb 1.40 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 2e8p h LEU 62 CO 0.07 0.71 -0.15 0.00 -0.34 0.00 0.00 178.44 178.72 2e8p h ASN 64 N 0.00 0.00 -2.56 0.00 2.35 -1.45 -3.47 115.58 110.44 2e8p h ASN 64 Ca -0.00 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.27 2e8p h ASN 64 Cb 0.49 0.00 0.23 0.00 0.05 0.00 0.00 38.32 39.09 2e8p h ASN 64 CO 0.02 0.58 -0.99 0.00 -1.65 0.00 0.00 177.43 175.39 2e8p s ALA 66 N -2.27 3.63 0.09 0.00 0.00 -1.26 -5.01 121.76 116.93 2e8p s ALA 66 Ca 0.56 -1.40 -0.35 0.00 0.00 0.00 0.00 51.96 50.77 2e8p s ALA 66 Cb -0.14 -1.35 -0.16 0.00 0.00 0.00 0.00 23.12 21.48 2e8p s ALA 66 CO 0.67 0.25 1.55 1.25 0.00 0.00 0.00 175.76 179.48 2e8p h LEU 67 N 1.45 -1.49 -1.08 0.00 5.85 -1.98 -1.72 115.31 116.35 2e8p h LEU 67 Ca -0.49 0.14 0.18 0.00 0.84 0.00 0.00 57.88 58.55 2e8p h LEU 67 Cb 1.24 0.52 -0.10 0.00 0.37 0.00 0.00 40.66 42.69 2e8p h LEU 67 CO 0.61 -0.61 0.61 -0.33 -0.34 0.00 0.00 178.44 178.38 2e8p h GLU 68 N -0.88 0.73 0.11 1.25 5.08 -1.98 -1.64 114.58 117.25 2e8p h GLU 68 Ca -0.04 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2e8p h GLU 68 Cb 0.81 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2e8p h GLU 68 CO -0.17 0.49 -0.26 0.93 -1.00 0.00 0.00 179.01 178.99 2e8p h GLU 69 N 0.76 -0.45 -0.07 2.33 5.08 -1.74 -0.30 114.58 120.18 2e8p h GLU 69 Ca 0.55 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.96 2e8p h GLU 69 Cb 0.87 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 2e8p h GLU 69 CO -0.33 -0.30 0.07 -0.07 -1.00 0.00 0.00 179.01 177.37 2e8p h LEU 70 N -0.47 0.00 0.00 1.33 3.38 -0.57 0.13 115.31 119.12 2e8p h LEU 70 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2e8p h LEU 70 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2e8p h LEU 70 CO -0.16 0.00 -0.13 0.03 0.09 0.00 0.00 178.44 178.27 2e8p h ARG 71 N 0.00 0.00 0.00 1.13 3.08 -0.61 -0.59 114.38 117.38 2e8p h ARG 71 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2e8p h ARG 71 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2e8p h ARG 71 CO -0.00 0.12 -1.06 1.28 -1.07 0.00 0.00 179.97 179.25 2e8p n LEU 72 N -3.13 0.63 -0.08 3.04 4.32 0.33 -2.03 117.00 120.08 2e8p n LEU 72 Ca 0.03 0.12 -0.07 0.00 -0.02 0.00 0.00 56.01 56.08 2e8p n LEU 72 Cb 0.58 -0.09 -0.15 0.00 -1.62 0.00 0.00 43.42 42.14 2e8p n LEU 72 CO 0.36 -0.04 -1.07 0.52 -1.22 0.00 0.00 177.39 175.94 2e8p n VAL 73 N -2.22 1.12 -1.31 4.08 0.31 -0.48 -4.47 118.33 115.36 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 0.48 -0.42 0.16 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 -2.63 0.00 -4.90 3.52 3.72 -0.23 -3.41 117.46 113.52 2e8p n PHE 74 Ca -0.27 -1.15 0.00 0.00 -0.05 0.00 0.00 57.45 55.98 2e8p n PHE 74 Cb 1.04 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 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 -1.26 1.03 0.00 1.37 0.00 -0.86 -2.32 105.19 103.15 2e8p n GLY 75 Ca 0.17 -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 -2.48 135.00 133.16 2e8p n PRO 76 Ca 0.00 0.17 0.05 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 -1.00 1.53 5.85 -1.78 -3.23 115.31 116.69 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 0.39 0.61 1.23 -0.34 0.00 0.00 178.44 180.33 2e8p h GLY 78 N 2.55 1.74 0.57 3.75 0.00 -1.50 0.16 103.07 110.34 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 0.05 -0.02 0.52 -1.80 0.00 0.00 0.00 176.54 175.30 2e8p h ASP 79 N 0.81 0.00 0.45 0.19 1.82 -1.80 0.25 116.42 118.14 2e8p h ASP 79 Ca 0.56 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.89 2e8p h ASP 79 Cb 0.80 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.78 2e8p h ASP 79 CO -0.36 0.00 -1.67 1.56 -1.61 0.00 0.00 179.24 177.16 2e8p h GLN 80 N 0.00 0.11 0.01 0.28 1.08 -0.92 -3.31 115.11 112.36 2e8p h GLN 80 Ca 0.33 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2e8p h GLN 80 Cb 1.37 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.87 2e8p h GLN 80 CO -0.00 0.82 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.62 2e8p h LEU 81 N 0.03 -0.01 -0.69 1.46 3.38 -0.25 -3.17 115.31 116.07 2e8p h LEU 81 Ca -0.28 -0.47 0.12 0.00 0.09 0.00 0.00 57.88 57.35 2e8p h LEU 81 Cb 2.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.66 2e8p h LEU 81 CO 0.10 0.46 0.24 -0.74 0.09 0.00 0.00 178.44 178.60 2e8p h HIS 82 N -0.49 0.42 -0.70 1.13 2.76 -0.81 -0.73 115.15 116.74 2e8p h HIS 82 Ca -0.00 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.33 2e8p h HIS 82 Cb 0.47 -0.08 -0.09 0.00 1.55 0.00 0.00 27.41 29.26 2e8p h HIS 82 CO 0.09 0.05 0.24 0.00 -1.30 0.00 0.00 177.93 177.01 2e8p h ALA 83 N 1.50 0.93 0.14 5.26 0.00 -1.64 0.11 119.26 125.56 2e8p h ALA 83 Ca 0.37 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 2e8p h ALA 83 Cb 0.53 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2e8p h ALA 83 CO -0.38 -0.24 -0.07 1.96 0.00 0.00 0.00 179.25 180.52 2e8p h GLN 84 N 0.38 -0.18 -0.57 0.00 1.08 -1.16 -2.98 115.11 111.69 2e8p h GLN 84 Ca 0.38 0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.74 2e8p h GLN 84 Cb 0.56 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.00 2e8p h GLN 84 CO -0.40 0.17 0.40 -0.07 -0.95 0.00 0.00 178.83 177.99 2e8p h LEU 85 N -0.56 0.05 -1.61 1.46 3.38 -0.71 0.26 115.31 117.58 2e8p h LEU 85 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2e8p h LEU 85 Cb 0.43 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2e8p h LEU 85 CO 0.03 0.03 -0.21 0.03 0.09 0.00 0.00 178.44 178.41 2e8p h ARG 86 N 0.06 0.00 0.07 1.13 3.08 -0.65 -1.78 114.38 116.29 2e8p h ARG 86 Ca 0.27 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 60.01 2e8p h ARG 86 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 2e8p h ARG 86 CO -0.02 0.21 -1.64 -0.44 -1.07 0.00 0.00 179.97 177.02 2e8p h ASP 87 N 0.00 0.24 -0.13 7.04 5.19 -0.50 -2.94 116.42 125.32 2e8p h ASP 87 Ca -0.00 -0.41 -0.02 0.00 -0.62 0.00 0.00 57.03 55.98 2e8p h ASP 87 Cb 0.44 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 2e8p h ASP 87 CO 0.03 1.35 0.02 -0.07 -3.12 0.00 0.00 179.24 177.45 2e8p h LEU 88 N 0.04 0.21 -0.53 1.55 3.38 -1.06 -3.13 115.31 115.78 2e8p h LEU 88 Ca -0.27 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.28 2e8p h LEU 88 Cb 2.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 2e8p h LEU 88 CO 0.12 0.43 -0.49 0.71 0.09 0.00 0.00 178.44 179.30 2e8p h THR 89 N -0.00 1.31 -3.26 0.22 1.35 -1.49 -3.42 112.91 107.61 2e8p h THR 89 Ca 0.04 -1.70 -0.56 0.00 -0.55 0.00 0.00 66.41 63.64 2e8p h THR 89 Cb 0.30 1.65 -0.05 0.00 -1.73 0.00 0.00 68.15 68.32 2e8p h THR 89 CO 0.00 0.54 1.07 -0.55 -0.25 0.00 0.00 175.52 176.33 2e8p s SER 90 N -6.89 6.32 0.07 5.36 0.15 -1.11 -4.95 113.70 112.64 2e8p s SER 90 Ca -0.08 0.74 -0.26 0.00 0.70 0.00 0.00 55.95 57.05 2e8p s SER 90 Cb 0.11 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.96 2e8p s SER 90 CO 0.84 -1.46 0.69 -0.94 1.20 0.00 0.00 173.24 173.57 2e8p s SER 91 N 3.94 -0.54 0.00 5.45 1.04 -1.26 -4.81 113.70 117.52 2e8p s SER 91 Ca 0.60 0.17 0.16 0.00 0.48 0.00 0.00 55.95 57.35 2e8p s SER 91 Cb -0.13 0.53 0.94 0.00 0.10 0.00 0.00 66.02 67.47 2e8p s SER 91 CO 0.32 -0.80 1.36 -0.24 0.98 0.00 0.00 173.24 174.86