#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 1.18 0.40 1.61 3.41 -1.26 -4.98 113.62 113.98 2e8p n SER 2 Ca 0.00 -2.80 -0.19 0.00 -0.26 0.00 0.00 58.87 55.62 2e8p n SER 2 Cb 0.00 -0.64 -0.09 0.00 -0.26 0.00 0.00 64.21 63.21 2e8p n SER 2 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2e8p h SER 3 N 5.14 -1.05 -2.51 4.04 0.87 -2.09 -3.48 113.55 114.46 2e8p h SER 3 Ca 0.19 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.76 2e8p h SER 3 Cb 0.83 0.30 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2e8p h SER 3 CO 0.54 -0.67 0.15 0.61 -0.53 0.00 0.00 176.83 176.94 2e8p n GLY 4 N -1.57 1.43 2.85 5.77 0.00 -1.26 -5.07 105.19 107.34 2e8p n GLY 4 Ca -0.14 -1.23 -0.03 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.43 -7.70 -2.31 1.61 2.88 -1.26 -4.92 113.62 100.49 2e8p n SER 5 Ca -0.05 1.08 -0.31 0.00 -1.33 0.00 0.00 58.87 58.26 2e8p n SER 5 Cb 0.42 -4.58 0.05 0.00 -0.75 0.00 0.00 64.21 59.34 2e8p n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2e8p n SER 6 N 0.64 6.45 -4.88 -3.46 3.41 -1.26 -5.02 113.62 109.49 2e8p n SER 6 Ca 0.01 -3.78 -0.30 0.00 -0.26 0.00 0.00 58.87 54.55 2e8p n SER 6 Cb 0.18 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.38 2e8p n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2e8p s GLY 7 N -2.51 1.87 -0.29 5.00 0.00 -1.26 -5.07 107.32 105.06 2e8p s GLY 7 Ca 0.57 -0.30 -0.01 0.00 0.00 0.00 0.00 44.72 44.98 2e8p s GLY 7 CO -0.06 -0.12 0.08 1.62 0.00 0.00 0.00 173.10 174.62 2e8p s GLN 8 N -3.91 0.75 0.14 2.90 0.74 -1.26 -5.13 119.66 113.90 2e8p s GLN 8 Ca 0.50 -0.97 0.06 0.00 0.05 0.00 0.00 55.36 55.00 2e8p s GLN 8 Cb -0.10 -2.04 -0.04 0.00 1.10 0.00 0.00 33.01 31.93 2e8p s GLN 8 CO 0.33 -0.91 0.00 0.00 -0.55 0.00 0.00 175.29 174.16 2e8p s MET 9 N 1.64 2.45 0.10 1.67 0.23 -1.26 -5.01 119.30 119.13 2e8p s MET 9 Ca 0.07 -1.01 0.00 0.00 -1.03 0.00 0.00 55.69 53.73 2e8p s MET 9 Cb -0.17 -2.43 0.00 0.00 -1.53 0.00 0.00 34.83 30.70 2e8p s MET 9 CO -0.22 0.49 0.00 0.43 -2.03 0.00 0.00 175.02 173.69 2e8p n SER 10 N 0.14 -0.37 -2.59 -1.18 7.64 -1.26 -5.12 113.62 110.87 2e8p n SER 10 Ca -0.10 0.18 -0.01 0.00 1.01 0.00 0.00 58.87 59.95 2e8p n SER 10 Cb 0.54 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 64.22 2e8p n SER 10 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2e8p n LEU 11 N -2.80 -7.36 -3.72 -3.43 7.99 -1.26 -5.08 117.00 101.35 2e8p n LEU 11 Ca 0.00 1.18 -0.14 0.00 -0.01 0.00 0.00 56.01 57.05 2e8p n LEU 11 Cb 0.00 -3.10 -0.09 0.00 -0.11 0.00 0.00 43.42 40.12 2e8p n LEU 11 CO 0.00 -2.78 0.09 -1.61 -1.51 0.00 0.00 177.39 171.59 2e8p s GLU 12 N -1.57 0.62 0.07 3.23 0.41 -1.26 -5.18 118.70 115.03 2e8p s GLU 12 Ca 0.03 0.21 0.01 0.00 -0.41 0.00 0.00 54.97 54.80 2e8p s GLU 12 Cb -0.01 0.29 -0.04 0.00 -1.78 0.00 0.00 34.13 32.59 2e8p s GLU 12 CO 0.70 -0.14 -0.05 0.20 -0.49 0.00 0.00 175.26 175.48 2e8p s GLY 13 N -0.60 0.62 -0.00 -1.39 0.00 -1.26 -5.05 107.32 99.64 2e8p s GLY 13 Ca -0.07 -1.23 0.15 0.00 0.00 0.00 0.00 44.72 43.57 2e8p s GLY 13 CO 0.03 -1.34 0.69 -0.37 0.00 0.00 0.00 173.10 172.12 2e8p n THR 14 N 0.16 1.35 -1.96 0.90 5.66 -1.26 -5.07 114.28 114.06 2e8p n THR 14 Ca -0.14 -0.74 0.00 0.00 -3.05 0.00 0.00 64.05 60.12 2e8p n THR 14 Cb 0.60 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 68.56 2e8p n THR 14 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2e8p n GLU 15 N -2.93 -4.12 -0.07 1.09 4.07 -1.26 -5.01 120.64 112.41 2e8p n GLU 15 Ca -0.14 3.08 -0.03 0.00 -0.06 0.00 0.00 57.16 60.01 2e8p n GLU 15 Cb 0.94 -3.65 0.03 0.00 -0.06 0.00 0.00 31.44 28.69 2e8p n GLU 15 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2e8p n LYS 16 N 1.43 -1.60 -3.64 5.31 3.00 -1.26 -5.09 118.16 116.31 2e8p n LYS 16 Ca 0.00 -0.16 -0.05 0.00 -0.00 0.00 0.00 58.31 58.10 2e8p n LYS 16 Cb 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 35.03 34.80 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 -2.64 -2.15 0.31 3.14 0.00 -1.26 -4.99 121.76 114.17 2e8p s ALA 17 Ca 0.07 1.89 0.36 0.00 0.00 0.00 0.00 51.96 54.28 2e8p s ALA 17 Cb -0.01 -1.62 1.90 0.00 0.00 0.00 0.00 23.12 23.39 2e8p s ALA 17 CO 0.05 -0.23 2.11 1.03 0.00 0.00 0.00 175.76 178.72 2e8p h SER 18 N 4.34 0.00 -0.29 0.00 0.87 -1.96 0.03 113.55 116.53 2e8p h SER 18 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2e8p h SER 18 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2e8p h SER 18 CO 0.15 0.00 0.00 -2.67 -0.53 0.00 0.00 176.83 173.78 2e8p n TRP 19 N -2.82 0.88 -3.65 2.24 4.27 -1.26 -4.96 117.44 112.14 2e8p n TRP 19 Ca -0.02 -0.79 -0.37 0.00 -3.89 0.00 0.00 57.50 52.44 2e8p n TRP 19 Cb 0.10 -0.26 -0.10 0.00 -1.36 0.00 0.00 31.31 29.69 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 -2.41 4.03 0.00 5.67 1.43 -0.01 -4.24 118.68 123.16 2e8p s LEU 20 Ca 0.38 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 2e8p s LEU 20 Cb 0.29 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.42 2e8p s LEU 20 CO 0.11 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.32 2e8p n GLY 21 N 4.58 2.49 3.30 -3.19 0.00 -1.26 -4.84 105.19 106.27 2e8p n GLY 21 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.37 1.72 0.93 1.61 2.56 -1.26 -5.13 118.70 118.76 2e8p s GLU 22 Ca 0.00 -1.01 -0.10 0.00 0.00 0.00 0.00 54.97 53.85 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 0.00 175.26 177.32 2e8p n GLN 23 N 1.94 -0.54 0.00 4.30 6.02 -1.26 -4.87 117.38 122.97 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 -4.16 0.07 0.10 -1.09 -0.04 -1.26 -2.26 135.00 126.35 2e8p n PRO 24 Ca 0.11 0.22 0.03 0.00 -0.04 0.00 0.00 63.50 63.83 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 -3.35 115.11 113.21 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 0.33 0.07 1.19 -0.67 0.00 0.00 178.83 179.75 2e8p n PHE 26 N -3.03 3.12 -3.77 2.96 3.01 -0.96 -3.05 117.46 115.75 2e8p n PHE 26 Ca -0.02 -2.69 -0.27 0.00 1.01 0.00 0.00 57.45 55.48 2e8p n PHE 26 Cb 0.74 -0.72 -0.03 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 3.48 0.33 1.38 0.52 -1.25 -4.84 118.94 114.80 2e8p s TRP 27 Ca 0.53 0.27 0.04 0.00 0.02 0.00 0.00 56.10 56.96 2e8p s TRP 27 Cb 0.43 -1.79 -0.02 0.00 -1.15 0.00 0.00 33.47 30.95 2e8p s TRP 27 CO -0.17 0.42 0.49 0.45 0.02 0.00 0.00 176.95 178.15 2e8p s SER 28 N -3.22 6.07 0.59 2.95 0.15 -0.98 -2.93 113.70 116.32 2e8p s SER 28 Ca 0.37 0.05 0.28 0.00 0.70 0.00 0.00 55.95 57.35 2e8p s SER 28 Cb -0.11 -1.55 1.59 0.00 -1.71 0.00 0.00 66.02 64.24 2e8p s SER 28 CO 0.29 -0.37 2.04 0.11 1.20 0.00 0.00 173.24 176.51 2e8p h LYS 29 N 0.85 0.00 0.13 5.44 1.57 -1.69 -0.68 116.57 122.19 2e8p h LYS 29 Ca -0.48 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 57.97 2e8p h LYS 29 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 2e8p h LYS 29 CO 0.57 0.00 -1.71 1.15 -0.57 0.00 0.00 179.45 178.88 2e8p h THR 30 N 0.00 0.94 -0.56 -0.16 2.02 -1.87 -3.35 112.91 109.94 2e8p h THR 30 Ca 0.13 -2.61 0.01 0.00 0.77 0.00 0.00 66.41 64.71 2e8p h THR 30 Cb 0.69 2.67 -0.03 0.00 -1.74 0.00 0.00 68.15 69.75 2e8p h THR 30 CO -0.00 0.81 0.37 1.56 0.37 0.00 0.00 175.52 178.63 2e8p h GLN 31 N 0.07 0.72 0.18 6.66 4.20 -1.46 -0.93 115.11 124.56 2e8p h GLN 31 Ca -0.32 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.36 2e8p h GLN 31 Cb 2.04 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 29.62 2e8p h GLN 31 CO 0.14 0.48 -0.52 0.28 -0.67 0.00 0.00 178.83 178.54 2e8p h VAL 32 N 0.74 0.00 -0.13 -0.54 2.07 -1.52 0.27 116.25 117.15 2e8p h VAL 32 Ca 0.21 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.72 2e8p h VAL 32 Cb -0.08 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 2e8p h VAL 32 CO -0.05 0.00 0.08 -0.07 0.02 0.00 0.00 177.57 177.55 2e8p h LEU 33 N -0.79 0.15 -1.01 2.57 3.38 -1.66 -0.55 115.31 117.39 2e8p h LEU 33 Ca -0.02 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2e8p h LEU 33 Cb 0.77 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2e8p h LEU 33 CO -0.25 0.11 -0.38 0.44 0.09 0.00 0.00 178.44 178.45 2e8p h ASP 34 N 0.17 0.00 0.90 -0.43 3.32 0.04 -2.96 116.42 117.46 2e8p h ASP 34 Ca 0.05 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.89 2e8p h ASP 34 Cb -0.01 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2e8p h ASP 34 CO -0.01 0.38 -0.96 -0.25 -1.72 0.00 0.00 179.24 176.68 2e8p h TRP 35 N 0.00 0.06 0.15 4.55 7.01 0.11 -3.32 115.95 124.51 2e8p h TRP 35 Ca -0.00 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 2e8p h TRP 35 Cb 0.86 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.92 2e8p h TRP 35 CO 0.00 0.97 -0.07 0.82 -2.79 0.00 0.00 178.44 177.37 2e8p h ILE 36 N 0.01 0.90 -0.93 2.65 2.04 -1.27 -2.57 117.51 118.34 2e8p h ILE 36 Ca -0.02 -0.17 0.21 0.00 1.00 0.00 0.00 64.86 65.88 2e8p h ILE 36 Cb 1.69 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 38.70 2e8p h ILE 36 CO 0.13 0.04 0.61 -1.28 0.00 0.00 0.00 178.15 177.65 2e8p h SER 37 N -0.28 0.42 -0.39 1.72 0.87 -1.65 0.31 113.55 114.55 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 0.03 0.15 0.18 0.22 -0.53 0.00 0.00 176.83 176.89 2e8p h TYR 38 N 0.41 0.57 0.00 2.24 3.20 -1.56 0.10 116.97 121.94 2e8p h TYR 38 Ca 0.49 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.27 2e8p h TYR 38 Cb 1.23 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2e8p h TYR 38 CO -0.00 0.48 -0.31 1.96 -1.64 0.00 0.00 178.16 178.65 2e8p h GLN 39 N 0.49 0.00 0.00 1.82 1.08 -0.81 -2.75 115.11 114.94 2e8p h GLN 39 Ca 0.13 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.19 2e8p h GLN 39 Cb 0.13 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 2e8p h GLN 39 CO -0.02 0.31 -0.70 0.28 -0.95 0.00 0.00 178.83 177.76 2e8p h VAL 40 N 0.00 1.29 0.00 -0.54 2.07 -0.12 -1.41 116.25 117.55 2e8p h VAL 40 Ca -0.00 -2.57 -0.17 0.00 0.82 0.00 0.00 66.70 64.78 2e8p h VAL 40 Cb 1.14 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 33.36 2e8p h VAL 40 CO 0.04 0.68 -1.11 -0.08 0.02 0.00 0.00 177.57 177.12 2e8p h GLU 41 N 0.00 0.00 0.08 1.57 4.57 -0.95 -1.75 114.58 118.10 2e8p h GLU 41 Ca -0.01 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.99 2e8p h GLU 41 Cb 1.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.01 2e8p h GLU 41 CO 0.09 0.47 -0.90 -0.22 -1.18 0.00 0.00 179.01 177.27 2e8p h LYS 42 N 0.00 0.18 0.00 1.92 1.63 -1.50 -3.30 116.57 115.50 2e8p h LYS 42 Ca -0.11 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 2e8p h LYS 42 Cb 1.60 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.34 2e8p h LYS 42 CO 0.07 1.15 0.00 0.09 -3.45 0.00 0.00 179.45 177.30 2e8p n ASN 43 N -4.20 0.00 -2.61 4.20 3.02 -0.53 -4.88 115.26 110.26 2e8p n ASN 43 Ca -0.19 0.27 -0.19 0.00 -0.03 0.00 0.00 54.58 54.45 2e8p n ASN 43 Cb 0.76 -0.41 0.04 0.00 -0.61 0.00 0.00 39.78 39.56 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 -1.41 -4.49 -2.61 3.52 5.02 -1.14 -4.97 118.16 112.09 2e8p n LYS 44 Ca 0.07 0.75 -0.40 0.00 -2.02 0.00 0.00 58.31 56.70 2e8p n LYS 44 Cb 0.20 -5.29 -0.05 0.00 -0.02 0.00 0.00 35.03 29.87 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 -3.10 3.78 0.59 2.13 5.04 -0.67 -4.92 117.35 120.20 2e8p s TYR 45 Ca 0.29 1.80 0.29 0.00 -2.44 0.00 0.00 57.07 57.00 2e8p s TYR 45 Cb -0.13 -3.14 1.64 0.00 0.35 0.00 0.00 41.96 40.69 2e8p s TYR 45 CO 0.36 -0.06 2.07 0.22 -1.34 0.00 0.00 175.55 176.79 2e8p h ASP 46 N 4.16 0.00 -1.53 4.32 1.82 -1.93 -3.45 116.42 119.80 2e8p h ASP 46 Ca -0.46 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 55.84 2e8p h ASP 46 Cb 1.21 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 41.13 2e8p h ASP 46 CO 0.68 0.00 -0.37 0.00 -1.61 0.00 0.00 179.24 177.94 2e8p n ALA 47 N -2.32 -0.37 -1.23 -0.78 0.00 -1.26 -4.87 120.51 109.69 2e8p n ALA 47 Ca 0.02 0.21 -0.02 0.00 0.00 0.00 0.00 53.44 53.66 2e8p n ALA 47 Cb 0.38 -1.82 0.23 0.00 0.00 0.00 0.00 19.45 18.24 2e8p n ALA 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2e8p n SER 48 N -0.97 3.35 0.00 0.00 3.41 -1.26 -4.53 113.62 113.61 2e8p n SER 48 Ca -0.18 -3.44 0.00 0.00 -0.26 0.00 0.00 58.87 54.99 2e8p n SER 48 Cb 0.60 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2e8p n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2e8p n ALA 49 N -0.81 2.06 -1.48 7.33 0.00 -1.26 -5.04 120.51 121.31 2e8p n ALA 49 Ca 0.32 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.30 2e8p n ALA 49 Cb 1.09 0.14 -0.07 0.00 0.00 0.00 0.00 19.45 20.61 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 -1.83 0.12 -2.01 0.00 5.41 -1.26 -4.50 119.36 115.29 2e8p n ILE 50 Ca 0.00 -0.33 -0.26 0.00 1.00 0.00 0.00 62.75 63.16 2e8p n ILE 50 Cb 0.14 -1.75 -0.06 0.00 -0.71 0.00 0.00 39.64 37.27 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 8.50 4.96 0.59 4.38 1.11 0.19 -4.75 116.67 131.65 2e8p s ASP 51 Ca 1.11 -0.96 0.29 0.00 0.18 0.00 0.00 52.55 53.16 2e8p s ASP 51 Cb -0.76 -2.57 1.62 0.00 1.07 0.00 0.00 42.92 42.28 2e8p s ASP 51 CO 0.44 -3.01 2.06 -0.26 1.18 0.00 0.00 175.17 175.58 2e8p h PHE 52 N 10.88 0.00 0.00 4.23 0.04 -1.87 0.24 116.94 130.46 2e8p h PHE 52 Ca 0.13 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.80 2e8p h PHE 52 Cb 0.98 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 2e8p h PHE 52 CO 1.20 0.00 -0.46 0.66 -0.60 0.00 0.00 178.31 179.11 2e8p h SER 53 N 0.00 0.00 1.61 2.17 4.64 -1.94 -2.99 113.55 117.03 2e8p h SER 53 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2e8p h SER 53 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2e8p h SER 53 CO -0.00 0.46 -0.28 0.03 -0.87 0.00 0.00 176.83 176.17 2e8p h ARG 54 N 0.00 0.00 -4.12 4.77 3.08 -0.86 -3.39 114.38 113.86 2e8p h ARG 54 Ca -0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.37 2e8p h ARG 54 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2e8p h ARG 54 CO 0.06 0.00 2.82 0.00 -1.07 0.00 0.00 179.97 181.78 2e8p n ASP 56 N 6.47 5.57 -1.50 0.00 -0.08 -1.26 -4.97 116.55 120.78 2e8p n ASP 56 Ca 0.52 -3.47 0.00 0.00 -1.51 0.00 0.00 54.79 50.33 2e8p n ASP 56 Cb 0.38 -1.03 0.00 0.00 2.34 0.00 0.00 41.12 42.81 2e8p n ASP 56 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 2e8p n MET 57 N 0.92 1.02 0.07 -0.67 0.00 -1.26 -5.11 117.12 112.09 2e8p n MET 57 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.00 2e8p n MET 57 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.57 2e8p n MET 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2e8p n ASP 58 N -1.97 0.46 0.05 7.83 5.75 -1.26 -4.17 116.55 123.24 2e8p n ASP 58 Ca 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 2e8p n ASP 58 Cb 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 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 2.65 -1.18 0.25 6.12 0.00 -1.15 -2.33 105.19 109.54 2e8p n GLY 59 Ca 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 46.02 46.39 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 1.14 -0.07 4.61 0.00 -1.67 -2.69 119.26 120.57 2e8p h ALA 60 Ca 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 2e8p h ALA 60 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2e8p h ALA 60 CO 0.00 0.54 -0.30 1.15 0.00 0.00 0.00 179.25 180.64 2e8p h THR 61 N 0.46 1.24 -0.17 0.00 2.02 -1.91 -1.18 112.91 113.39 2e8p h THR 61 Ca 0.08 -1.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 2e8p h THR 61 Cb 0.60 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2e8p h THR 61 CO 0.04 0.34 -0.01 0.25 0.37 0.00 0.00 175.52 176.51 2e8p h LEU 62 N 0.12 0.30 -0.95 2.58 5.85 -1.82 0.23 115.31 121.62 2e8p h LEU 62 Ca 0.02 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 58.33 2e8p h LEU 62 Cb 0.60 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2e8p h LEU 62 CO 0.04 0.56 -0.38 0.00 -0.34 0.00 0.00 178.44 178.32 2e8p h ASN 64 N 0.00 0.00 -3.34 0.00 4.21 -1.05 -3.47 115.58 111.93 2e8p h ASN 64 Ca -0.00 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.96 2e8p h ASN 64 Cb 0.89 0.00 0.20 0.00 -1.12 0.00 0.00 38.32 38.30 2e8p h ASN 64 CO 0.05 0.63 -0.49 0.00 -1.29 0.00 0.00 177.43 176.33 2e8p s ALA 66 N -2.19 3.41 0.09 0.00 0.00 -1.26 -4.94 121.76 116.86 2e8p s ALA 66 Ca 0.60 -0.38 -0.31 0.00 0.00 0.00 0.00 51.96 51.88 2e8p s ALA 66 Cb -0.27 -2.60 -0.14 0.00 0.00 0.00 0.00 23.12 20.12 2e8p s ALA 66 CO 0.63 -0.11 1.49 1.25 0.00 0.00 0.00 175.76 179.03 2e8p h LEU 67 N 0.91 -1.37 -1.90 0.00 5.85 -1.98 -0.55 115.31 116.28 2e8p h LEU 67 Ca -0.47 0.13 0.23 0.00 0.84 0.00 0.00 57.88 58.61 2e8p h LEU 67 Cb 1.19 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 42.67 2e8p h LEU 67 CO 0.63 -0.53 0.59 -0.33 -0.34 0.00 0.00 178.44 178.46 2e8p h GLU 68 N -0.74 0.08 0.17 1.25 4.39 -1.98 -0.98 114.58 116.76 2e8p h GLU 68 Ca -0.02 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2e8p h GLU 68 Cb 0.71 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2e8p h GLU 68 CO -0.19 0.05 -0.08 0.93 -1.16 0.00 0.00 179.01 178.56 2e8p h GLU 69 N 0.08 -0.21 -0.34 2.33 5.08 -1.52 -2.30 114.58 117.69 2e8p h GLU 69 Ca 0.41 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.86 2e8p h GLU 69 Cb 1.48 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 2e8p h GLU 69 CO -0.04 0.04 0.24 -0.07 -1.00 0.00 0.00 179.01 178.18 2e8p h LEU 70 N -0.45 0.11 -0.23 1.33 3.38 -0.22 0.26 115.31 119.48 2e8p h LEU 70 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2e8p h LEU 70 Cb 0.35 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2e8p h LEU 70 CO 0.04 0.07 0.00 0.03 0.09 0.00 0.00 178.44 178.66 2e8p h ARG 71 N 0.12 0.00 0.00 1.13 3.08 -1.19 0.78 114.38 118.29 2e8p h ARG 71 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2e8p h ARG 71 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2e8p h ARG 71 CO -0.02 0.00 -1.25 1.28 -1.07 0.00 0.00 179.97 178.91 2e8p n LEU 72 N -2.44 0.63 -0.12 3.04 4.32 0.83 -2.71 117.00 120.56 2e8p n LEU 72 Ca 0.04 0.23 -0.16 0.00 -0.02 0.00 0.00 56.01 56.10 2e8p n LEU 72 Cb 0.40 -0.05 -0.12 0.00 -1.62 0.00 0.00 43.42 42.03 2e8p n LEU 72 CO 0.29 -0.13 -1.28 0.52 -1.22 0.00 0.00 177.39 175.56 2e8p n VAL 73 N -2.54 1.39 -1.06 4.08 0.31 -0.73 -4.46 118.33 115.33 2e8p n VAL 73 Ca -0.01 -0.57 0.01 0.00 -0.01 0.00 0.00 64.34 63.76 2e8p n VAL 73 Cb 0.55 -1.27 0.30 0.00 -0.91 0.00 0.00 33.84 32.51 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 -3.16 1.77 -4.98 3.52 3.72 0.26 -0.63 117.46 117.95 2e8p n PHE 74 Ca -0.42 -1.07 0.00 0.00 -0.05 0.00 0.00 57.45 55.91 2e8p n PHE 74 Cb 0.98 -0.52 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 -0.26 1.05 0.00 1.37 0.00 -1.10 -2.36 105.19 103.90 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 0.28 0.15 0.19 1.61 -0.04 -1.26 -2.42 135.00 133.50 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 0.25 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 -1.23 1.53 5.85 -1.79 -3.24 115.31 116.43 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 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 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 2.90 1.37 1.26 3.75 0.00 -1.50 0.27 103.07 111.12 2e8p h GLY 78 Ca -0.00 -0.29 0.08 0.00 0.00 0.00 0.00 47.33 47.12 2e8p h GLY 78 CO 0.04 -0.02 0.29 -1.80 0.00 0.00 0.00 176.54 175.05 2e8p h ASP 79 N 0.63 0.00 0.03 0.19 3.58 -1.80 0.61 116.42 119.65 2e8p h ASP 79 Ca 0.52 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.63 2e8p h ASP 79 Cb 0.99 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.99 2e8p h ASP 79 CO -0.28 0.00 -1.90 0.00 -2.88 0.00 0.00 179.24 174.18 2e8p n GLN 80 N -3.84 0.62 -0.29 0.28 1.13 0.84 -4.19 117.38 111.93 2e8p n GLN 80 Ca 0.04 0.38 0.02 0.00 -1.94 0.00 0.00 57.00 55.50 2e8p n GLN 80 Cb 0.44 -1.65 0.15 0.00 0.11 0.00 0.00 30.24 29.29 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 -0.65 0.73 -0.45 1.08 3.38 -0.80 -2.15 115.31 116.46 2e8p h LEU 81 Ca -0.49 0.04 0.09 0.00 0.09 0.00 0.00 57.88 57.61 2e8p h LEU 81 Cb 1.62 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 42.18 2e8p h LEU 81 CO -0.19 0.44 -0.05 -0.74 0.09 0.00 0.00 178.44 177.99 2e8p h HIS 82 N 0.85 -0.11 -0.84 1.13 2.76 -1.09 0.57 115.15 118.41 2e8p h HIS 82 Ca 0.38 0.04 0.15 0.00 -2.20 0.00 0.00 60.37 58.74 2e8p h HIS 82 Cb 0.28 0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.30 2e8p h HIS 82 CO -0.05 -0.14 0.55 0.00 -1.30 0.00 0.00 177.93 176.99 2e8p h ALA 83 N 1.42 1.95 0.18 5.26 0.00 -1.55 0.19 119.26 126.71 2e8p h ALA 83 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2e8p h ALA 83 Cb 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2e8p h ALA 83 CO -0.41 -0.18 -0.09 1.96 0.00 0.00 0.00 179.25 180.54 2e8p h GLN 84 N 0.58 -0.24 -0.26 0.00 1.08 -0.86 -2.93 115.11 112.48 2e8p h GLN 84 Ca 0.42 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.71 2e8p h GLN 84 Cb 0.78 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 2e8p h GLN 84 CO -0.17 0.16 0.28 -0.07 -0.95 0.00 0.00 178.83 178.08 2e8p h LEU 85 N -0.89 0.00 -0.41 1.46 3.38 -0.63 0.29 115.31 118.50 2e8p h LEU 85 Ca -0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 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 0.04 0.00 -0.65 0.03 0.09 0.00 0.00 178.44 177.95 2e8p h ARG 86 N 0.00 0.00 0.16 1.13 3.08 -0.96 -3.27 114.38 114.52 2e8p h ARG 86 Ca 0.12 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.83 2e8p h ARG 86 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2e8p h ARG 86 CO -0.00 0.65 -1.76 -0.44 -1.07 0.00 0.00 179.97 177.35 2e8p h ASP 87 N 0.00 0.53 -0.81 7.04 3.32 -0.34 -2.68 116.42 123.48 2e8p h ASP 87 Ca -0.01 -0.85 0.23 0.00 0.02 0.00 0.00 57.03 56.43 2e8p h ASP 87 Cb 1.31 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 2e8p h ASP 87 CO 0.08 1.72 0.58 -0.07 -1.72 0.00 0.00 179.24 179.84 2e8p h LEU 88 N 0.09 0.04 0.01 1.55 3.38 -1.03 -0.84 115.31 118.51 2e8p h LEU 88 Ca -0.34 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.29 2e8p h LEU 88 Cb 2.08 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.76 2e8p h LEU 88 CO 0.16 0.02 -2.16 0.35 0.09 0.00 0.00 178.44 176.89 2e8p n THR 89 N -4.32 1.50 -3.02 0.22 -2.24 -1.23 -4.77 114.28 100.42 2e8p n THR 89 Ca 0.17 -0.79 -0.01 0.00 -2.27 0.00 0.00 64.05 61.15 2e8p n THR 89 Cb 0.85 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2e8p n THR 89 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2e8p n SER 90 N -2.96 -7.78 0.13 3.42 7.64 -0.32 -4.94 113.62 108.81 2e8p n SER 90 Ca -0.30 0.01 -0.14 0.00 1.01 0.00 0.00 58.87 59.46 2e8p n SER 90 Cb 1.10 -5.29 -0.08 0.00 -1.01 0.00 0.00 64.21 58.92 2e8p n SER 90 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2e8p h SER 91 N 0.66 -0.25 -0.02 6.43 0.02 -1.88 -3.51 113.55 115.00 2e8p h SER 91 Ca 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2e8p h SER 91 Cb 1.00 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2e8p h SER 91 CO 0.28 -0.07 0.00 -1.20 -1.14 0.00 0.00 176.83 174.71