#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 -1.51 -4.08 1.61 3.41 -1.26 -5.10 113.62 106.70 2e8p n SER 2 Ca 0.00 -2.57 -0.32 0.00 -0.26 0.00 0.00 58.87 55.72 2e8p n SER 2 Cb 0.00 0.25 -0.15 0.00 -0.26 0.00 0.00 64.21 64.04 2e8p n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2e8p s SER 3 N 0.30 3.89 0.00 4.04 0.01 -1.26 -5.04 113.70 115.64 2e8p s SER 3 Ca 0.32 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.48 2e8p s SER 3 Cb 0.03 -1.49 0.00 0.00 0.21 0.00 0.00 66.02 64.77 2e8p s SER 3 CO -0.15 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2e8p n GLY 4 N 4.52 1.17 2.31 3.44 0.00 -1.26 -5.06 105.19 110.31 2e8p n GLY 4 Ca -0.16 0.52 -0.26 0.00 0.00 0.00 0.00 46.02 46.11 2e8p n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e8p n SER 5 N 0.00 4.89 -0.06 1.61 3.41 -1.26 -4.79 113.62 117.43 2e8p n SER 5 Ca 0.00 -3.74 -0.06 0.00 -0.26 0.00 0.00 58.87 54.82 2e8p n SER 5 Cb 0.00 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.50 2e8p n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2e8p n SER 6 N -0.58 1.23 0.00 4.04 7.64 -1.26 -5.13 113.62 119.55 2e8p n SER 6 Ca 0.42 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.52 2e8p n SER 6 Cb 0.77 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 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 1.49 0.54 2.69 0.23 0.00 -1.26 -5.11 105.19 103.77 2e8p n GLY 7 Ca -0.09 -1.12 -0.01 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.71 -1.87 1.61 7.27 -1.26 -5.00 117.38 114.42 2e8p n GLN 8 Ca 0.00 2.92 -0.30 0.00 0.07 0.00 0.00 57.00 59.69 2e8p n GLN 8 Cb 0.00 -5.35 0.06 0.00 2.41 0.00 0.00 30.24 27.36 2e8p n GLN 8 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2e8p s MET 9 N -1.48 2.62 0.33 3.69 0.23 -1.26 -4.91 119.30 118.51 2e8p s MET 9 Ca -0.05 0.39 0.00 0.00 -1.03 0.00 0.00 55.69 55.00 2e8p s MET 9 Cb 0.00 -2.00 0.00 0.00 -1.53 0.00 0.00 34.83 31.30 2e8p s MET 9 CO 0.79 -1.19 0.00 0.43 -2.03 0.00 0.00 175.02 173.02 2e8p n SER 10 N -3.10 -8.37 -4.76 -1.18 7.64 -1.26 -4.77 113.62 97.82 2e8p n SER 10 Ca 0.07 1.52 -0.36 0.00 1.01 0.00 0.00 58.87 61.11 2e8p n SER 10 Cb 0.58 -4.28 -0.07 0.00 -1.01 0.00 0.00 64.21 59.43 2e8p n SER 10 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2e8p s LEU 11 N 0.00 4.26 0.68 -3.43 2.96 -1.26 -5.10 118.68 116.79 2e8p s LEU 11 Ca 0.00 0.32 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2e8p s LEU 11 Cb 0.00 -2.12 0.12 0.00 0.50 0.00 0.00 46.19 44.69 2e8p s LEU 11 CO 0.00 0.23 0.94 -1.61 -1.32 0.00 0.00 176.35 174.58 2e8p s GLU 12 N 0.04 1.84 0.00 1.98 2.02 -1.26 -4.70 118.70 118.62 2e8p s GLU 12 Ca 0.11 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.81 2e8p s GLU 12 Cb -0.12 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.69 2e8p s GLU 12 CO 0.00 -1.29 0.00 0.41 0.02 0.00 0.00 175.26 174.40 2e8p n GLY 13 N -2.67 2.87 2.71 -1.39 0.00 -1.26 -4.97 105.19 100.48 2e8p n GLY 13 Ca 0.15 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 2e8p n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e8p s THR 14 N 0.00 0.19 -0.46 2.61 -4.23 -1.26 -5.01 115.64 107.48 2e8p s THR 14 Ca 0.00 -0.01 0.04 0.00 -1.18 0.00 0.00 61.69 60.54 2e8p s THR 14 Cb 0.00 -0.55 0.59 0.00 1.34 0.00 0.00 72.50 73.87 2e8p s THR 14 CO 0.00 0.03 1.84 1.21 -0.54 0.00 0.00 174.62 177.16 2e8p n GLU 15 N 5.19 2.32 -3.30 3.99 2.13 -1.26 -4.96 120.64 124.75 2e8p n GLU 15 Ca -0.06 -3.15 -0.04 0.00 0.66 0.00 0.00 57.16 54.57 2e8p n GLU 15 Cb 0.49 -2.14 0.02 0.00 0.27 0.00 0.00 31.44 30.08 2e8p n GLU 15 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2e8p n LYS 16 N -1.08 0.62 -3.75 5.31 4.76 -1.26 -5.18 118.16 117.59 2e8p n LYS 16 Ca 0.55 -1.34 -0.12 0.00 -2.87 0.00 0.00 58.31 54.53 2e8p n LYS 16 Cb 1.33 1.76 -0.11 0.00 -1.84 0.00 0.00 35.03 36.16 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 -1.82 -0.76 0.36 7.82 0.00 -1.26 -5.02 121.76 121.08 2e8p s ALA 17 Ca 0.16 0.99 0.37 0.00 0.00 0.00 0.00 51.96 53.49 2e8p s ALA 17 Cb -0.03 -0.59 1.97 0.00 0.00 0.00 0.00 23.12 24.48 2e8p s ALA 17 CO 0.06 -0.17 2.14 0.66 0.00 0.00 0.00 175.76 178.45 2e8p h SER 18 N 6.17 0.00 -0.29 0.00 4.64 -1.97 0.14 113.55 122.23 2e8p h SER 18 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 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 0.32 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.61 2e8p n TRP 19 N -2.86 0.88 -3.86 4.77 4.27 -1.26 -4.91 117.44 114.47 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 -0.13 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 -2.42 3.26 0.00 5.67 1.43 0.04 -4.42 118.68 122.23 2e8p s LEU 20 Ca 0.39 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 2e8p s LEU 20 Cb 0.30 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.66 2e8p s LEU 20 CO 0.11 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.29 2e8p n GLY 21 N 4.74 2.46 3.29 -3.19 0.00 -1.26 -4.77 105.19 106.45 2e8p n GLY 21 Ca -0.17 0.00 -0.28 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 -0.35 1.67 0.93 1.61 2.56 -1.26 -5.13 118.70 118.73 2e8p s GLU 22 Ca 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 54.97 53.90 2e8p s GLU 22 Cb 0.00 -1.75 0.15 0.00 2.00 0.00 0.00 34.13 34.53 2e8p s GLU 22 CO 0.00 0.46 1.10 1.04 -0.56 0.00 0.00 175.26 177.30 2e8p n GLN 23 N 2.02 -0.56 0.00 4.30 6.02 -1.26 -4.87 117.38 123.02 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 0.11 -1.09 -0.04 -1.26 -2.27 135.00 126.35 2e8p n PRO 24 Ca 0.11 0.22 0.03 0.00 -0.04 0.00 0.00 63.50 63.82 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 -1.48 0.54 4.20 -1.90 -3.35 115.11 113.13 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 0.35 -0.01 1.19 -0.67 0.00 0.00 178.83 179.70 2e8p n PHE 26 N -3.06 3.16 -3.50 2.96 3.01 -0.96 -3.09 117.46 115.98 2e8p n PHE 26 Ca -0.02 -2.72 -0.21 0.00 1.01 0.00 0.00 57.45 55.51 2e8p n PHE 26 Cb 0.74 -0.62 -0.01 0.00 -0.01 0.00 0.00 39.48 39.58 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 -3.75 3.25 0.33 1.38 0.52 -1.25 -4.84 118.94 114.58 2e8p s TRP 27 Ca 0.52 -0.03 0.08 0.00 0.02 0.00 0.00 56.10 56.68 2e8p s TRP 27 Cb 0.43 -1.94 -0.03 0.00 -1.15 0.00 0.00 33.47 30.78 2e8p s TRP 27 CO -0.20 0.05 0.21 0.45 0.02 0.00 0.00 176.95 177.48 2e8p s SER 28 N -4.12 5.05 0.59 2.95 0.15 -0.56 -3.20 113.70 114.56 2e8p s SER 28 Ca 0.42 -0.58 0.28 0.00 0.70 0.00 0.00 55.95 56.78 2e8p s SER 28 Cb -0.09 -0.92 1.59 0.00 -1.71 0.00 0.00 66.02 64.89 2e8p s SER 28 CO 0.32 -0.29 2.04 0.11 1.20 0.00 0.00 173.24 176.63 2e8p h LYS 29 N 1.41 0.00 0.12 5.44 1.57 -1.73 -1.37 116.57 122.01 2e8p h LYS 29 Ca -0.45 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.05 2e8p h LYS 29 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 2e8p h LYS 29 CO 0.60 0.00 -1.45 1.15 -0.57 0.00 0.00 179.45 179.18 2e8p h THR 30 N 0.00 1.01 -0.38 -0.16 2.02 -1.88 -3.32 112.91 110.20 2e8p h THR 30 Ca 0.12 -2.40 0.04 0.00 0.77 0.00 0.00 66.41 64.95 2e8p h THR 30 Cb 0.68 2.71 -0.04 0.00 -1.74 0.00 0.00 68.15 69.76 2e8p h THR 30 CO -0.00 0.72 0.13 1.56 0.37 0.00 0.00 175.52 178.30 2e8p h GLN 31 N -0.27 0.28 0.12 6.66 4.20 -1.63 0.24 115.11 124.71 2e8p h GLN 31 Ca -0.31 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2e8p h GLN 31 Cb 1.79 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 29.48 2e8p h GLN 31 CO 0.07 0.19 -0.33 0.28 -0.67 0.00 0.00 178.83 178.37 2e8p h VAL 32 N 0.29 0.00 0.00 -0.54 2.07 -1.46 0.24 116.25 116.85 2e8p h VAL 32 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 2e8p h VAL 32 Cb 0.15 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 2e8p h VAL 32 CO -0.18 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 177.31 2e8p h LEU 33 N -0.49 0.00 -0.80 2.57 3.38 -1.63 -0.52 115.31 117.81 2e8p h LEU 33 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2e8p h LEU 33 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2e8p h LEU 33 CO -0.16 0.03 -0.42 0.44 0.09 0.00 0.00 178.44 178.43 2e8p h ASP 34 N 0.00 0.00 0.78 -0.43 5.19 0.64 -3.09 116.42 119.51 2e8p h ASP 34 Ca -0.00 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.16 2e8p h ASP 34 Cb 0.08 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 2e8p h ASP 34 CO 0.00 0.42 -1.20 -0.25 -3.12 0.00 0.00 179.24 175.09 2e8p h TRP 35 N 0.00 0.19 0.16 4.55 7.01 0.11 -3.33 115.95 124.64 2e8p h TRP 35 Ca -0.00 -0.14 -0.01 0.00 2.11 0.00 0.00 58.89 60.85 2e8p h TRP 35 Cb 0.98 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.03 2e8p h TRP 35 CO 0.00 1.13 -0.08 0.82 -2.79 0.00 0.00 178.44 177.52 2e8p h ILE 36 N 0.03 0.88 -0.93 2.65 2.04 -1.38 -2.54 117.51 118.26 2e8p h ILE 36 Ca -0.10 -0.14 0.21 0.00 1.00 0.00 0.00 64.86 65.84 2e8p h ILE 36 Cb 1.88 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 38.85 2e8p h ILE 36 CO 0.15 0.03 0.61 -1.28 0.00 0.00 0.00 178.15 177.67 2e8p h SER 37 N -0.28 0.43 -0.42 1.72 0.87 -1.67 0.31 113.55 114.51 2e8p h SER 37 Ca -0.02 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2e8p h SER 37 Cb 0.22 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2e8p h SER 37 CO 0.04 0.16 0.19 0.22 -0.53 0.00 0.00 176.83 176.90 2e8p h TYR 38 N 0.42 0.61 0.00 2.24 3.20 -1.56 -0.59 116.97 121.29 2e8p h TYR 38 Ca 0.49 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.26 2e8p h TYR 38 Cb 1.22 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2e8p h TYR 38 CO -0.00 0.51 -0.35 1.96 -1.64 0.00 0.00 178.16 178.64 2e8p h GLN 39 N 0.53 0.00 0.00 1.82 1.08 -0.79 -2.54 115.11 115.21 2e8p h GLN 39 Ca 0.14 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.22 2e8p h GLN 39 Cb 0.14 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 2e8p h GLN 39 CO -0.02 0.35 -0.60 0.28 -0.95 0.00 0.00 178.83 177.89 2e8p h VAL 40 N 0.00 1.19 0.00 -0.54 2.07 -0.12 -0.89 116.25 117.96 2e8p h VAL 40 Ca -0.00 -2.26 -0.13 0.00 0.82 0.00 0.00 66.70 65.12 2e8p h VAL 40 Cb 1.17 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 33.23 2e8p h VAL 40 CO 0.05 0.59 -1.30 -0.08 0.02 0.00 0.00 177.57 176.85 2e8p h GLU 41 N 0.00 0.00 0.15 1.57 4.57 -1.09 -2.37 114.58 117.41 2e8p h GLU 41 Ca -0.01 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.84 2e8p h GLU 41 Cb 1.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 2e8p h GLU 41 CO 0.08 0.24 -1.65 -0.22 -1.18 0.00 0.00 179.01 176.28 2e8p h LYS 42 N 0.00 0.32 0.00 1.92 3.64 -1.44 -3.29 116.57 117.72 2e8p h LYS 42 Ca -0.13 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 2e8p h LYS 42 Cb 1.47 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 2e8p h LYS 42 CO 0.04 1.21 0.00 0.09 -2.27 0.00 0.00 179.45 178.52 2e8p n ASN 43 N -3.52 0.00 -1.40 4.20 5.03 -0.34 -4.87 115.26 114.35 2e8p n ASN 43 Ca -0.21 -0.67 -0.18 0.00 0.87 0.00 0.00 54.58 54.40 2e8p n ASN 43 Cb 1.06 -0.11 -0.07 0.00 -1.02 0.00 0.00 39.78 39.64 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 -1.11 -1.23 -1.99 3.52 5.02 -1.22 -4.93 118.16 116.21 2e8p n LYS 44 Ca 0.20 1.09 -0.42 0.00 -2.02 0.00 0.00 58.31 57.17 2e8p n LYS 44 Cb 0.16 -5.36 -0.03 0.00 -0.02 0.00 0.00 35.03 29.79 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 3.04 0.55 2.13 5.04 -0.90 -4.87 117.35 119.67 2e8p s TYR 45 Ca 0.00 0.90 0.28 0.00 -2.44 0.00 0.00 57.07 55.81 2e8p s TYR 45 Cb 0.00 -3.85 1.46 0.00 0.35 0.00 0.00 41.96 39.92 2e8p s TYR 45 CO 0.00 -2.89 1.96 0.22 -1.34 0.00 0.00 175.55 173.50 2e8p h ASP 46 N 5.63 0.00 -1.62 4.32 3.58 -1.92 -3.45 116.42 122.96 2e8p h ASP 46 Ca -0.45 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 56.66 2e8p h ASP 46 Cb 1.21 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.19 2e8p h ASP 46 CO 0.82 0.00 -0.38 0.00 -2.88 0.00 0.00 179.24 176.80 2e8p n ALA 47 N -2.55 -0.38 -1.31 -0.78 0.00 -1.26 -4.87 120.51 109.36 2e8p n ALA 47 Ca 0.10 0.21 -0.07 0.00 0.00 0.00 0.00 53.44 53.68 2e8p n ALA 47 Cb 0.67 -1.83 0.21 0.00 0.00 0.00 0.00 19.45 18.51 2e8p n ALA 47 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2e8p n SER 48 N -1.00 3.14 0.00 0.00 7.64 -1.26 -4.53 113.62 117.61 2e8p n SER 48 Ca -0.19 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.10 2e8p n SER 48 Cb 0.61 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2e8p n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2e8p n ALA 49 N -0.96 2.14 -1.63 -0.43 0.00 -1.26 -5.08 120.51 113.29 2e8p n ALA 49 Ca 0.38 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 53.33 2e8p n ALA 49 Cb 1.18 0.06 -0.05 0.00 0.00 0.00 0.00 19.45 20.63 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 -1.75 0.04 -3.23 0.00 5.41 -1.26 -4.79 119.36 113.79 2e8p n ILE 50 Ca 0.00 -0.01 -0.45 0.00 1.00 0.00 0.00 62.75 63.29 2e8p n ILE 50 Cb 0.06 -1.17 -0.01 0.00 -0.71 0.00 0.00 39.64 37.81 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 0.67 7.04 0.33 4.38 1.01 -1.01 -4.87 116.67 124.22 2e8p s ASP 51 Ca 0.81 -3.06 0.08 0.00 0.71 0.00 0.00 52.55 51.09 2e8p s ASP 51 Cb -0.82 -2.26 0.79 0.00 1.01 0.00 0.00 42.92 41.64 2e8p s ASP 51 CO 0.43 -0.53 1.82 -0.26 0.21 0.00 0.00 175.17 176.84 2e8p h PHE 52 N 7.31 0.94 -0.29 4.23 0.04 -1.90 0.25 116.94 127.51 2e8p h PHE 52 Ca 0.18 0.03 0.08 0.00 2.80 0.00 0.00 57.97 61.06 2e8p h PHE 52 Cb 0.94 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 2e8p h PHE 52 CO 0.94 0.27 0.22 0.77 -0.60 0.00 0.00 178.31 179.91 2e8p h SER 53 N 0.72 0.00 1.17 2.17 0.02 -1.97 0.70 113.55 116.37 2e8p h SER 53 Ca 0.52 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.36 2e8p h SER 53 Cb 0.86 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 2e8p h SER 53 CO -0.29 0.00 -0.87 0.03 -1.14 0.00 0.00 176.83 174.56 2e8p h ARG 54 N 0.00 0.00 -4.07 3.45 2.47 -0.90 -3.39 114.38 111.94 2e8p h ARG 54 Ca 0.14 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 58.19 2e8p h ARG 54 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2e8p h ARG 54 CO -0.00 0.36 2.86 0.00 0.56 0.00 0.00 179.97 183.74 2e8p n ASP 56 N 6.31 5.62 -3.95 0.00 8.00 -1.26 -4.88 116.55 126.39 2e8p n ASP 56 Ca 0.53 -3.47 -0.25 0.00 0.71 0.00 0.00 54.79 52.30 2e8p n ASP 56 Cb 0.37 -1.04 -0.17 0.00 -0.02 0.00 0.00 41.12 40.26 2e8p n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e8p s MET 57 N -2.91 1.50 0.05 -1.24 0.23 -1.26 -5.04 119.30 110.63 2e8p s MET 57 Ca 0.36 -0.30 -0.28 0.00 -1.03 0.00 0.00 55.69 54.44 2e8p s MET 57 Cb 0.11 -1.41 -0.17 0.00 -1.53 0.00 0.00 34.83 31.83 2e8p s MET 57 CO 0.03 -0.12 1.49 0.38 -2.03 0.00 0.00 175.02 174.78 2e8p h ASP 58 N 7.54 -0.42 0.00 -1.18 2.03 -1.85 -3.38 116.42 119.15 2e8p h ASP 58 Ca -0.31 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 2e8p h ASP 58 Cb 1.16 0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.77 2e8p h ASP 58 CO 0.44 -0.19 0.00 0.61 -1.03 0.00 0.00 179.24 179.07 2e8p n GLY 59 N -0.91 -1.50 0.35 7.15 0.00 -1.19 -1.49 105.19 107.59 2e8p n GLY 59 Ca -0.10 0.56 0.17 0.00 0.00 0.00 0.00 46.02 46.65 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 2.37 0.00 4.61 0.00 -1.68 0.16 119.26 124.71 2e8p h ALA 60 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2e8p h ALA 60 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2e8p h ALA 60 CO 0.00 -0.48 -0.33 1.15 0.00 0.00 0.00 179.25 179.59 2e8p h THR 61 N 0.01 0.75 -0.01 0.00 2.02 -1.90 -1.92 112.91 111.86 2e8p h THR 61 Ca 0.19 -1.45 -0.03 0.00 0.77 0.00 0.00 66.41 65.89 2e8p h THR 61 Cb 0.75 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 2e8p h THR 61 CO -0.00 0.32 -0.11 0.25 0.37 0.00 0.00 175.52 176.35 2e8p h LEU 62 N 0.00 0.12 -1.16 2.58 5.85 -1.00 -0.99 115.31 120.71 2e8p h LEU 62 Ca -0.00 -0.71 -0.06 0.00 0.84 0.00 0.00 57.88 57.94 2e8p h LEU 62 Cb 0.90 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2e8p h LEU 62 CO 0.04 0.81 -0.31 0.00 -0.34 0.00 0.00 178.44 178.65 2e8p h ASN 64 N 0.00 0.00 -2.45 0.00 2.35 -1.38 -3.47 115.58 110.64 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 0.76 0.00 0.23 0.00 0.05 0.00 0.00 38.32 39.36 2e8p h ASN 64 CO 0.04 0.58 -1.04 0.00 -1.65 0.00 0.00 177.43 175.36 2e8p s ALA 66 N -2.25 3.38 0.09 0.00 0.00 -1.26 -5.01 121.76 116.71 2e8p s ALA 66 Ca 0.56 -1.47 -0.33 0.00 0.00 0.00 0.00 51.96 50.71 2e8p s ALA 66 Cb -0.13 -1.08 -0.15 0.00 0.00 0.00 0.00 23.12 21.76 2e8p s ALA 66 CO 0.66 0.32 1.53 1.25 0.00 0.00 0.00 175.76 179.52 2e8p h LEU 67 N 1.90 -1.47 -1.74 0.00 5.85 -1.99 -0.55 115.31 117.32 2e8p h LEU 67 Ca -0.47 0.15 0.22 0.00 0.84 0.00 0.00 57.88 58.62 2e8p h LEU 67 Cb 1.23 0.53 -0.05 0.00 0.37 0.00 0.00 40.66 42.74 2e8p h LEU 67 CO 0.60 -0.56 0.60 -0.33 -0.34 0.00 0.00 178.44 178.41 2e8p h GLU 68 N -0.79 0.21 0.37 1.25 4.39 -1.98 -1.41 114.58 116.62 2e8p h GLU 68 Ca -0.02 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2e8p h GLU 68 Cb 0.75 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2e8p h GLU 68 CO -0.22 0.14 -0.18 0.93 -1.16 0.00 0.00 179.01 178.52 2e8p h GLU 69 N 0.21 -0.48 -0.14 2.33 5.08 -1.56 -2.10 114.58 117.93 2e8p h GLU 69 Ca 0.43 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.87 2e8p h GLU 69 Cb 1.37 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2e8p h GLU 69 CO -0.10 -0.19 0.15 -0.07 -1.00 0.00 0.00 179.01 177.80 2e8p h LEU 70 N -0.75 0.00 -0.05 1.33 3.38 -0.17 0.22 115.31 119.27 2e8p h LEU 70 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2e8p h LEU 70 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2e8p h LEU 70 CO 0.08 0.00 -0.18 0.03 0.09 0.00 0.00 178.44 178.47 2e8p h ARG 71 N 0.00 0.00 0.00 1.13 3.08 -1.10 -0.38 114.38 117.11 2e8p h ARG 71 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2e8p h ARG 71 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2e8p h ARG 71 CO -0.00 0.18 -1.06 1.28 -1.07 0.00 0.00 179.97 179.30 2e8p n LEU 72 N -3.15 0.63 -0.08 3.04 4.77 0.66 -2.01 117.00 120.86 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 -0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.44 2e8p n LEU 72 CO 0.36 -0.04 -1.06 0.52 -1.33 0.00 0.00 177.39 175.85 2e8p n VAL 73 N -2.20 1.08 -1.32 4.08 0.31 -0.45 -4.47 118.33 115.36 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 0.48 -0.40 0.16 0.00 -0.91 0.00 0.00 33.84 33.16 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 -4.91 3.52 3.72 -0.16 -2.40 117.46 114.61 2e8p n PHE 74 Ca -0.26 -1.12 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 -1.23 1.04 0.00 1.37 0.00 -0.85 -2.33 105.19 103.19 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 -2.48 135.00 133.16 2e8p n PRO 76 Ca 0.00 0.18 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 -1.37 1.53 5.85 -1.78 -3.21 115.31 116.33 2e8p h LEU 77 Ca 0.00 0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.92 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 0.39 0.60 1.23 -0.34 0.00 0.00 178.44 180.32 2e8p h GLY 78 N 2.54 1.13 1.31 3.75 0.00 -1.51 0.25 103.07 110.54 2e8p h GLY 78 Ca -0.00 -0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.16 2e8p h GLY 78 CO 0.05 -0.01 0.27 -1.80 0.00 0.00 0.00 176.54 175.05 2e8p h ASP 79 N 0.52 0.00 0.14 0.19 3.58 -1.80 0.26 116.42 119.32 2e8p h ASP 79 Ca 0.50 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.59 2e8p h ASP 79 Cb 1.07 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.09 2e8p h ASP 79 CO -0.23 0.00 -2.07 0.00 -2.88 0.00 0.00 179.24 174.06 2e8p n GLN 80 N -3.82 0.72 0.18 0.28 1.13 0.83 -3.89 117.38 112.80 2e8p n GLN 80 Ca 0.03 0.23 0.02 0.00 -1.94 0.00 0.00 57.00 55.35 2e8p n GLN 80 Cb 0.41 -1.68 0.33 0.00 0.11 0.00 0.00 30.24 29.42 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 0.05 0.01 0.32 1.08 3.38 -0.63 -2.84 115.31 116.67 2e8p h LEU 81 Ca -0.44 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 2e8p h LEU 81 Cb 2.02 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 2e8p h LEU 81 CO 0.05 0.41 -0.15 -0.74 0.09 0.00 0.00 178.44 178.10 2e8p h HIS 82 N 0.01 -0.39 -0.00 1.13 2.76 -0.69 -1.84 115.15 116.13 2e8p h HIS 82 Ca -0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2e8p h HIS 82 Cb 0.72 0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.81 2e8p h HIS 82 CO 0.00 -0.07 0.02 0.00 -1.30 0.00 0.00 177.93 176.58 2e8p h ALA 83 N -0.19 1.10 0.00 5.26 0.00 -1.66 0.24 119.26 124.01 2e8p h ALA 83 Ca -0.04 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2e8p h ALA 83 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2e8p h ALA 83 CO 0.07 -0.03 -0.90 1.96 0.00 0.00 0.00 179.25 180.35 2e8p h GLN 84 N 0.00 0.00 0.02 0.00 1.08 -1.25 -3.29 115.11 111.67 2e8p h GLN 84 Ca 0.00 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.88 2e8p h GLN 84 Cb 0.05 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.43 2e8p h GLN 84 CO -0.00 0.36 -1.90 1.28 -0.95 0.00 0.00 178.83 177.62 2e8p n LEU 85 N -3.04 1.00 0.24 1.46 4.77 0.09 -3.87 117.00 117.65 2e8p n LEU 85 Ca -0.03 0.29 0.08 0.00 -0.03 0.00 0.00 56.01 56.32 2e8p n LEU 85 Cb 0.76 0.04 0.58 0.00 -2.33 0.00 0.00 43.42 42.47 2e8p n LEU 85 CO 0.41 0.49 0.91 0.08 -1.33 0.00 0.00 177.39 177.95 2e8p h ARG 86 N 0.01 0.00 0.04 3.23 0.11 -0.77 -2.21 114.38 114.79 2e8p h ARG 86 Ca -0.36 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.49 2e8p h ARG 86 Cb 2.06 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.13 2e8p h ARG 86 CO 0.06 0.18 -1.02 -0.44 0.10 0.00 0.00 179.97 178.85 2e8p h ASP 87 N 0.00 0.25 0.07 0.08 3.32 -1.67 -2.17 116.42 116.29 2e8p h ASP 87 Ca -0.00 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.81 2e8p h ASP 87 Cb 0.36 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2e8p h ASP 87 CO 0.02 1.11 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.56 2e8p h LEU 88 N 0.07 -0.08 0.00 1.55 3.38 -1.53 -3.39 115.31 115.32 2e8p h LEU 88 Ca -0.06 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2e8p h LEU 88 Cb 1.71 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2e8p h LEU 88 CO 0.15 0.35 0.00 0.35 0.09 0.00 0.00 178.44 179.39 2e8p n THR 89 N -4.93 0.00 -3.10 0.22 -2.24 -0.90 -4.94 114.28 98.38 2e8p n THR 89 Ca -0.08 0.74 -0.05 0.00 -2.27 0.00 0.00 64.05 62.39 2e8p n THR 89 Cb 0.23 -1.59 0.01 0.00 -2.10 0.00 0.00 70.33 66.88 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 -1.65 0.63 -1.30 3.42 2.88 -0.82 -5.03 113.62 111.75 2e8p n SER 90 Ca 0.00 -1.36 0.14 0.00 -1.33 0.00 0.00 58.87 56.32 2e8p n SER 90 Cb 0.00 -0.08 -0.04 0.00 -0.75 0.00 0.00 64.21 63.34 2e8p n SER 90 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2e8p n SER 91 N -2.70 -7.74 0.00 -3.46 7.64 -1.26 -3.90 113.62 102.20 2e8p n SER 91 Ca 0.03 1.11 0.08 0.00 1.01 0.00 0.00 58.87 61.10 2e8p n SER 91 Cb 0.14 -3.14 0.47 0.00 -1.01 0.00 0.00 64.21 60.67 2e8p n SER 91 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83