#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 -1.13 -0.74 1.61 0.01 -1.26 -5.00 113.70 107.19 2e8p s SER 2 Ca 0.00 1.45 -0.02 0.00 1.31 0.00 0.00 55.95 58.69 2e8p s SER 2 Cb 0.00 2.24 0.00 0.00 0.21 0.00 0.00 66.02 68.47 2e8p s SER 2 CO 0.00 -0.23 0.66 -1.20 0.41 0.00 0.00 173.24 172.88 2e8p n SER 3 N 5.44 -6.73 0.00 2.44 7.64 -1.26 -4.03 113.62 117.13 2e8p n SER 3 Ca -0.10 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.43 2e8p n SER 3 Cb 0.49 -3.95 0.00 0.00 -1.01 0.00 0.00 64.21 59.74 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 -1.58 2.06 2.80 0.23 0.00 -1.26 -4.84 105.19 102.59 2e8p n GLY 4 Ca -0.11 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 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 6.12 -5.92 -3.63 1.61 7.64 -1.26 -4.26 113.62 113.93 2e8p n SER 5 Ca 0.00 -0.20 -0.08 0.00 1.01 0.00 0.00 58.87 59.60 2e8p n SER 5 Cb 0.00 -4.79 -0.07 0.00 -1.01 0.00 0.00 64.21 58.34 2e8p n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2e8p s SER 6 N -2.54 -0.35 0.00 6.43 1.04 -1.26 -4.79 113.70 112.23 2e8p s SER 6 Ca 0.21 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.25 2e8p s SER 6 Cb -0.09 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2e8p s SER 6 CO 0.26 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2e8p n GLY 7 N 1.75 0.94 2.74 7.32 0.00 -1.26 -5.01 105.19 111.67 2e8p n GLY 7 Ca -0.11 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.07 3.43 -3.16 1.61 7.27 -1.26 -4.94 117.38 119.25 2e8p n GLN 8 Ca 0.00 -4.66 0.05 0.00 0.07 0.00 0.00 57.00 52.47 2e8p n GLN 8 Cb 0.31 -2.26 -0.02 0.00 2.41 0.00 0.00 30.24 30.67 2e8p n GLN 8 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 2e8p s MET 9 N -3.58 0.04 -0.25 3.69 1.75 -1.26 -5.08 119.30 114.61 2e8p s MET 9 Ca 0.48 0.07 -0.02 0.00 -1.25 0.00 0.00 55.69 54.98 2e8p s MET 9 Cb 0.33 0.04 0.01 0.00 2.84 0.00 0.00 34.83 38.05 2e8p s MET 9 CO -0.17 -0.04 0.04 0.45 -0.65 0.00 0.00 175.02 174.66 2e8p n SER 10 N 5.29 -6.60 -2.12 1.11 2.88 -1.26 -4.97 113.62 107.94 2e8p n SER 10 Ca -0.09 1.31 -0.14 0.00 -1.33 0.00 0.00 58.87 58.62 2e8p n SER 10 Cb 0.55 -4.84 0.04 0.00 -0.75 0.00 0.00 64.21 59.21 2e8p n SER 10 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2e8p n LEU 11 N 0.99 3.69 -3.91 2.46 7.94 -1.26 -5.04 117.00 121.87 2e8p n LEU 11 Ca -0.07 -4.11 -0.14 0.00 -1.11 0.00 0.00 56.01 50.58 2e8p n LEU 11 Cb 0.17 -0.11 -0.14 0.00 0.53 0.00 0.00 43.42 43.86 2e8p n LEU 11 CO 0.38 1.70 -0.38 -0.70 -1.11 0.00 0.00 177.39 177.28 2e8p s GLU 12 N -3.50 0.19 0.00 1.96 -6.30 -1.26 -5.11 118.70 104.67 2e8p s GLU 12 Ca 0.43 -0.08 0.00 0.00 -2.50 0.00 0.00 54.97 52.82 2e8p s GLU 12 Cb 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 34.13 34.32 2e8p s GLU 12 CO 0.00 0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.74 2e8p n GLY 13 N 3.06 1.10 2.56 -1.50 0.00 -1.26 -5.12 105.19 104.02 2e8p n GLY 13 Ca -0.13 0.47 -0.18 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.20 -0.14 2.61 -4.23 -1.26 -4.96 115.64 107.47 2e8p s THR 14 Ca 0.00 -1.91 0.22 0.00 -1.18 0.00 0.00 61.69 58.83 2e8p s THR 14 Cb 0.00 -0.76 0.44 0.00 1.34 0.00 0.00 72.50 73.53 2e8p s THR 14 CO 0.00 -0.74 1.15 -0.62 -0.54 0.00 0.00 174.62 173.87 2e8p n GLU 15 N 3.02 0.87 -1.11 3.99 1.02 -1.26 -5.14 120.64 122.03 2e8p n GLU 15 Ca 0.24 -2.59 0.15 0.00 -0.02 0.00 0.00 57.16 54.94 2e8p n GLU 15 Cb 0.50 -0.69 -0.04 0.00 -0.02 0.00 0.00 31.44 31.20 2e8p n GLU 15 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2e8p n LYS 16 N -0.15 -2.24 -4.74 3.49 5.02 -1.26 -4.83 118.16 113.45 2e8p n LYS 16 Ca 0.03 1.48 -0.33 0.00 -2.02 0.00 0.00 58.31 57.47 2e8p n LYS 16 Cb 0.95 -2.73 -0.13 0.00 -0.02 0.00 0.00 35.03 33.10 2e8p n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2e8p s ALA 17 N -2.12 2.76 0.42 7.82 0.00 -1.26 -4.99 121.76 124.39 2e8p s ALA 17 Ca 0.00 -0.91 0.39 0.00 0.00 0.00 0.00 51.96 51.44 2e8p s ALA 17 Cb 0.00 -1.17 2.06 0.00 0.00 0.00 0.00 23.12 24.01 2e8p s ALA 17 CO 0.00 0.42 2.19 0.77 0.00 0.00 0.00 175.76 179.14 2e8p h SER 18 N 5.90 0.00 -0.29 0.00 0.02 -1.96 0.17 113.55 117.40 2e8p h SER 18 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2e8p h SER 18 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2e8p h SER 18 CO 0.54 0.00 0.00 -2.67 -1.14 0.00 0.00 176.83 173.56 2e8p n TRP 19 N -2.91 0.89 -3.81 3.45 4.27 -1.26 -4.91 117.44 113.17 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 0.09 -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 3.55 0.00 5.67 1.43 0.05 -4.36 118.68 122.54 2e8p s LEU 20 Ca 0.39 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2e8p s LEU 20 Cb 0.30 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.58 2e8p s LEU 20 CO 0.10 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.30 2e8p n GLY 21 N 4.67 2.48 3.30 -3.19 0.00 -1.26 -4.80 105.19 106.39 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 -0.36 1.74 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 -1.83 0.15 0.00 2.00 0.00 0.00 34.13 34.45 2e8p s GLU 22 CO 0.00 0.48 1.10 1.04 -0.56 0.00 0.00 175.26 177.32 2e8p n GLN 23 N 1.99 -0.55 0.00 4.30 6.02 -1.26 -4.87 117.38 123.00 2e8p n GLN 23 Ca -0.17 -0.10 0.07 0.00 -0.01 0.00 0.00 57.00 56.80 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 -4.14 0.07 0.10 -1.09 -0.04 -1.26 -2.24 135.00 126.40 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 -1.37 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 0.29 0.05 1.19 -0.67 0.00 0.00 178.83 179.69 2e8p n PHE 26 N -3.00 3.11 -3.75 2.96 3.01 -0.95 -2.99 117.46 115.85 2e8p n PHE 26 Ca -0.02 -2.69 -0.25 0.00 1.01 0.00 0.00 57.45 55.50 2e8p n PHE 26 Cb 0.72 -0.71 -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 -3.75 3.48 0.34 1.38 0.52 -1.25 -4.84 118.94 114.81 2e8p s TRP 27 Ca 0.53 0.22 0.07 0.00 0.02 0.00 0.00 56.10 56.94 2e8p s TRP 27 Cb 0.43 -1.76 -0.01 0.00 -1.15 0.00 0.00 33.47 30.98 2e8p s TRP 27 CO -0.16 0.37 0.41 -1.12 0.02 0.00 0.00 176.95 176.47 2e8p s SER 28 N -3.52 5.69 0.57 2.95 0.01 -0.79 -3.00 113.70 115.61 2e8p s SER 28 Ca 0.37 -0.33 0.27 0.00 1.31 0.00 0.00 55.95 57.58 2e8p s SER 28 Cb -0.10 -1.09 1.52 0.00 0.21 0.00 0.00 66.02 66.56 2e8p s SER 28 CO 0.30 -0.43 2.02 0.11 0.41 0.00 0.00 173.24 175.65 2e8p h LYS 29 N 1.00 0.00 0.10 12.44 1.57 -1.78 -1.64 116.57 128.26 2e8p h LYS 29 Ca -0.45 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.10 2e8p h LYS 29 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 2e8p h LYS 29 CO 0.54 0.00 -1.17 1.15 -0.57 0.00 0.00 179.45 179.40 2e8p h THR 30 N 0.00 1.17 -0.59 -0.16 2.02 -1.90 -3.33 112.91 110.12 2e8p h THR 30 Ca 0.16 -2.40 0.10 0.00 0.77 0.00 0.00 66.41 65.05 2e8p h THR 30 Cb 0.81 2.81 -0.08 0.00 -1.74 0.00 0.00 68.15 69.95 2e8p h THR 30 CO -0.00 0.66 0.16 1.56 0.37 0.00 0.00 175.52 178.27 2e8p h GLN 31 N -0.44 0.30 0.03 6.66 4.20 -1.64 0.53 115.11 124.74 2e8p h GLN 31 Ca -0.25 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2e8p h GLN 31 Cb 1.63 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.34 2e8p h GLN 31 CO 0.04 0.20 -0.07 0.28 -0.67 0.00 0.00 178.83 178.61 2e8p h VAL 32 N 0.30 0.00 -0.56 -0.54 2.07 -1.53 0.17 116.25 116.16 2e8p h VAL 32 Ca 0.31 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.99 2e8p h VAL 32 Cb 0.43 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2e8p h VAL 32 CO -0.36 0.00 0.44 -0.07 0.02 0.00 0.00 177.57 177.60 2e8p h LEU 33 N -0.11 0.00 -0.69 2.57 3.38 -1.63 0.20 115.31 119.03 2e8p h LEU 33 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2e8p h LEU 33 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2e8p h LEU 33 CO -0.03 0.00 -0.44 0.44 0.09 0.00 0.00 178.44 178.50 2e8p h ASP 34 N 0.00 0.53 0.72 -0.43 5.19 0.08 -2.98 116.42 119.52 2e8p h ASP 34 Ca 0.27 -0.24 -0.16 0.00 -0.62 0.00 0.00 57.03 56.27 2e8p h ASP 34 Cb 1.15 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.49 2e8p h ASP 34 CO -0.00 0.90 -0.76 -0.25 -3.12 0.00 0.00 179.24 176.00 2e8p h TRP 35 N 0.40 0.05 0.13 4.55 7.01 0.23 -3.28 115.95 125.04 2e8p h TRP 35 Ca 0.03 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 2e8p h TRP 35 Cb 0.93 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.99 2e8p h TRP 35 CO 0.03 0.78 -0.06 0.82 -2.79 0.00 0.00 178.44 177.22 2e8p h ILE 36 N 0.02 0.91 -0.93 2.65 2.04 -1.23 -2.55 117.51 118.42 2e8p h ILE 36 Ca -0.01 -0.16 0.21 0.00 1.00 0.00 0.00 64.86 65.90 2e8p h ILE 36 Cb 1.35 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 38.37 2e8p h ILE 36 CO 0.10 0.04 0.61 -1.28 0.00 0.00 0.00 178.15 177.62 2e8p h SER 37 N -0.25 0.44 -0.36 1.72 0.87 -1.60 0.31 113.55 114.68 2e8p h SER 37 Ca -0.02 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2e8p h SER 37 Cb 0.20 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 2e8p h SER 37 CO 0.03 0.16 0.17 0.22 -0.53 0.00 0.00 176.83 176.88 2e8p h TYR 38 N 0.43 0.53 0.00 2.24 3.20 -1.53 0.13 116.97 121.97 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 1.21 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2e8p h TYR 38 CO -0.00 0.46 -0.26 1.96 -1.64 0.00 0.00 178.16 178.67 2e8p h GLN 39 N 0.45 0.00 0.00 1.82 1.08 -0.83 -2.38 115.11 115.26 2e8p h GLN 39 Ca 0.12 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.15 2e8p h GLN 39 Cb 0.13 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 2e8p h GLN 39 CO -0.01 0.26 -0.83 0.28 -0.95 0.00 0.00 178.83 177.57 2e8p h VAL 40 N 0.00 1.44 0.00 -0.54 2.07 -0.09 -1.91 116.25 117.22 2e8p h VAL 40 Ca -0.00 -3.02 -0.13 0.00 0.82 0.00 0.00 66.70 64.38 2e8p h VAL 40 Cb 1.09 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 33.53 2e8p h VAL 40 CO 0.03 0.82 -1.13 -0.08 0.02 0.00 0.00 177.57 177.23 2e8p h GLU 41 N 0.00 0.00 0.16 1.57 4.57 -0.72 -2.31 114.58 117.85 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 1.63 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.23 2e8p h GLU 41 CO 0.11 0.28 -1.65 -0.22 -1.18 0.00 0.00 179.01 176.35 2e8p h LYS 42 N 0.00 0.33 0.00 1.92 3.64 -1.48 -3.29 116.57 117.70 2e8p h LYS 42 Ca -0.10 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 2e8p h LYS 42 Cb 1.44 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 2e8p h LYS 42 CO 0.04 1.22 0.00 0.09 -2.27 0.00 0.00 179.45 178.53 2e8p n ASN 43 N -3.53 0.00 -1.40 4.20 5.03 -0.72 -4.87 115.26 113.98 2e8p n ASN 43 Ca -0.21 -0.60 -0.17 0.00 0.87 0.00 0.00 54.58 54.47 2e8p n ASN 43 Cb 1.06 -0.13 -0.07 0.00 -1.02 0.00 0.00 39.78 39.63 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 -1.13 -1.23 -2.06 3.52 5.02 -1.21 -4.93 118.16 116.14 2e8p n LYS 44 Ca 0.19 1.09 -0.42 0.00 -2.02 0.00 0.00 58.31 57.16 2e8p n LYS 44 Cb 0.17 -5.35 -0.03 0.00 -0.02 0.00 0.00 35.03 29.80 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 3.12 0.55 2.13 5.04 -0.87 -4.88 117.35 119.78 2e8p s TYR 45 Ca 0.00 0.93 0.28 0.00 -2.44 0.00 0.00 57.07 55.84 2e8p s TYR 45 Cb 0.00 -3.78 1.46 0.00 0.35 0.00 0.00 41.96 39.99 2e8p s TYR 45 CO 0.00 -2.68 1.96 0.22 -1.34 0.00 0.00 175.55 173.71 2e8p h ASP 46 N 6.01 0.00 -1.63 4.32 1.82 -1.92 -3.45 116.42 121.57 2e8p h ASP 46 Ca -0.44 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 55.86 2e8p h ASP 46 Cb 1.21 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 41.15 2e8p h ASP 46 CO 0.84 0.00 -0.38 0.00 -1.61 0.00 0.00 179.24 178.09 2e8p n ALA 47 N -2.56 -0.38 -1.31 -0.78 0.00 -1.26 -4.87 120.51 109.34 2e8p n ALA 47 Ca 0.10 0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.66 2e8p n ALA 47 Cb 0.67 -1.83 0.21 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.01 3.18 0.00 0.00 3.41 -1.26 -4.51 113.62 113.44 2e8p n SER 48 Ca -0.19 -3.62 0.00 0.00 -0.26 0.00 0.00 58.87 54.81 2e8p n SER 48 Cb 0.61 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 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 -0.99 2.23 -1.59 7.33 0.00 -1.26 -5.09 120.51 121.13 2e8p n ALA 49 Ca 0.41 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 2e8p n ALA 49 Cb 1.25 0.07 0.01 0.00 0.00 0.00 0.00 19.45 20.78 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 -1.86 2.34 -3.57 0.00 5.41 -1.26 -4.80 119.36 115.62 2e8p n ILE 50 Ca 0.00 -0.50 -0.39 0.00 1.00 0.00 0.00 62.75 62.86 2e8p n ILE 50 Cb 0.07 -1.07 -0.06 0.00 -0.71 0.00 0.00 39.64 37.87 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 -0.75 6.11 0.55 4.38 1.11 -1.00 -4.89 116.67 122.17 2e8p s ASP 51 Ca 0.63 -3.33 0.26 0.00 0.18 0.00 0.00 52.55 50.29 2e8p s ASP 51 Cb -0.58 -1.98 1.45 0.00 1.07 0.00 0.00 42.92 42.88 2e8p s ASP 51 CO 0.57 -0.30 2.00 -0.26 1.18 0.00 0.00 175.17 178.36 2e8p h PHE 52 N 6.63 0.00 0.00 4.23 0.04 -1.92 0.24 116.94 126.17 2e8p h PHE 52 Ca 0.11 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 2e8p h PHE 52 Cb 0.89 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 2e8p h PHE 52 CO 0.77 0.00 -0.18 0.77 -0.60 0.00 0.00 178.31 179.07 2e8p h SER 53 N 0.00 0.00 1.01 2.17 0.02 -1.96 -2.32 113.55 112.48 2e8p h SER 53 Ca 0.22 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.01 2e8p h SER 53 Cb 0.95 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 2e8p h SER 53 CO -0.00 0.18 -1.05 0.03 -1.14 0.00 0.00 176.83 174.85 2e8p h ARG 54 N 0.00 0.00 -4.83 3.45 2.47 -0.88 -3.40 114.38 111.19 2e8p h ARG 54 Ca -0.00 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.11 2e8p h ARG 54 Cb 0.42 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 2e8p h ARG 54 CO 0.02 0.45 2.24 0.00 0.56 0.00 0.00 179.97 183.25 2e8p n ASP 56 N 8.78 3.27 -4.69 0.00 2.03 -1.26 -4.90 116.55 119.79 2e8p n ASP 56 Ca 0.49 -1.98 -0.42 0.00 0.52 0.00 0.00 54.79 53.40 2e8p n ASP 56 Cb 0.42 -0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 40.42 2e8p n ASP 56 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2e8p s MET 57 N -1.26 4.27 -0.06 -0.67 -1.94 -1.26 -4.93 119.30 113.46 2e8p s MET 57 Ca 0.41 2.01 -0.25 0.00 -1.71 0.00 0.00 55.69 56.16 2e8p s MET 57 Cb 0.22 -3.56 -0.24 0.00 2.01 0.00 0.00 34.83 33.25 2e8p s MET 57 CO 0.29 -0.59 0.99 0.38 -0.01 0.00 0.00 175.02 176.08 2e8p h ASP 58 N 7.85 0.22 0.00 3.03 2.03 -1.85 -3.41 116.42 124.29 2e8p h ASP 58 Ca -0.39 -0.81 0.00 0.00 -0.73 0.00 0.00 57.03 55.10 2e8p h ASP 58 Cb 1.18 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.61 2e8p h ASP 58 CO 0.90 1.00 0.00 0.61 -1.03 0.00 0.00 179.24 180.73 2e8p n GLY 59 N 1.15 -1.42 0.27 7.15 0.00 -1.16 -1.89 105.19 109.29 2e8p n GLY 59 Ca -0.10 0.56 0.12 0.00 0.00 0.00 0.00 46.02 46.60 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 1.56 0.00 4.61 0.00 -1.69 -1.47 119.26 122.27 2e8p h ALA 60 Ca 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 2e8p h ALA 60 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2e8p h ALA 60 CO 0.00 0.08 -0.77 1.15 0.00 0.00 0.00 179.25 179.71 2e8p h THR 61 N 0.00 1.46 -0.06 0.00 2.02 -1.90 -2.64 112.91 111.79 2e8p h THR 61 Ca -0.00 -2.71 -0.02 0.00 0.77 0.00 0.00 66.41 64.45 2e8p h THR 61 Cb 0.14 2.50 -0.00 0.00 -1.74 0.00 0.00 68.15 69.04 2e8p h THR 61 CO 0.01 0.75 -0.03 0.25 0.37 0.00 0.00 175.52 176.87 2e8p h LEU 62 N 0.00 0.13 -1.30 2.58 5.85 -1.59 0.24 115.31 121.22 2e8p h LEU 62 Ca -0.01 -0.44 -0.06 0.00 0.84 0.00 0.00 57.88 58.22 2e8p h LEU 62 Cb 1.44 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 2e8p h LEU 62 CO 0.10 0.54 -0.28 0.00 -0.34 0.00 0.00 178.44 178.45 2e8p h ASN 64 N 0.00 0.00 -2.75 0.00 2.35 -1.37 -3.47 115.58 110.34 2e8p h ASN 64 Ca -0.00 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.26 2e8p h ASN 64 Cb 0.67 0.00 0.23 0.00 0.05 0.00 0.00 38.32 39.27 2e8p h ASN 64 CO 0.04 0.61 -0.90 0.00 -1.65 0.00 0.00 177.43 175.53 2e8p s ALA 66 N -2.30 3.68 0.09 0.00 0.00 -1.26 -5.00 121.76 116.98 2e8p s ALA 66 Ca 0.56 -1.29 -0.32 0.00 0.00 0.00 0.00 51.96 50.91 2e8p s ALA 66 Cb -0.15 -1.44 -0.14 0.00 0.00 0.00 0.00 23.12 21.38 2e8p s ALA 66 CO 0.67 0.35 1.51 1.25 0.00 0.00 0.00 175.76 179.54 2e8p h LEU 67 N 1.77 -1.43 -1.87 0.00 5.85 -1.98 -0.36 115.31 117.29 2e8p h LEU 67 Ca -0.49 0.14 0.23 0.00 0.84 0.00 0.00 57.88 58.60 2e8p h LEU 67 Cb 1.22 0.52 -0.04 0.00 0.37 0.00 0.00 40.66 42.73 2e8p h LEU 67 CO 0.62 -0.54 0.59 -0.33 -0.34 0.00 0.00 178.44 178.45 2e8p h GLU 68 N -0.75 0.10 0.31 1.25 4.39 -1.99 -1.30 114.58 116.60 2e8p h GLU 68 Ca -0.02 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2e8p h GLU 68 Cb 0.72 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2e8p h GLU 68 CO -0.22 0.07 -0.15 0.93 -1.16 0.00 0.00 179.01 178.48 2e8p h GLU 69 N 0.11 -0.41 -0.16 2.33 5.08 -1.51 -2.24 114.58 117.78 2e8p h GLU 69 Ca 0.41 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.85 2e8p h GLU 69 Cb 1.47 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 2e8p h GLU 69 CO -0.05 -0.11 0.17 -0.07 -1.00 0.00 0.00 179.01 177.95 2e8p h LEU 70 N -0.70 0.00 -0.05 1.33 3.38 -0.11 0.24 115.31 119.40 2e8p h LEU 70 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2e8p h LEU 70 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2e8p h LEU 70 CO 0.07 0.00 -0.18 0.03 0.09 0.00 0.00 178.44 178.45 2e8p h ARG 71 N 0.00 0.00 0.00 1.13 3.08 -1.16 -0.37 114.38 117.06 2e8p h ARG 71 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2e8p h ARG 71 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2e8p h ARG 71 CO -0.00 0.18 -1.06 1.28 -1.07 0.00 0.00 179.97 179.31 2e8p n LEU 72 N -3.15 0.63 -0.08 3.04 4.77 0.72 -2.00 117.00 120.93 2e8p n LEU 72 Ca 0.03 0.11 -0.05 0.00 -0.03 0.00 0.00 56.01 56.07 2e8p n LEU 72 Cb 0.60 -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 -1.04 0.52 -1.33 0.00 0.00 177.39 175.86 2e8p n VAL 73 N -2.20 1.04 -1.34 4.08 0.31 -0.42 -4.47 118.33 115.33 2e8p n VAL 73 Ca 0.01 -0.74 0.08 0.00 -0.01 0.00 0.00 64.34 63.68 2e8p n VAL 73 Cb 0.48 -0.39 0.15 0.00 -0.91 0.00 0.00 33.84 33.17 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 -2.60 0.00 -4.90 3.52 3.72 -0.15 -2.39 117.46 114.66 2e8p n PHE 74 Ca -0.26 -1.11 0.00 0.00 -0.05 0.00 0.00 57.45 56.04 2e8p n PHE 74 Cb 1.00 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.36 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 -1.21 1.03 0.00 1.37 0.00 -0.85 -2.33 105.19 103.21 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 0.25 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 -0.98 1.53 5.85 -1.78 -3.23 115.31 116.70 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 0.40 0.59 1.23 -0.34 0.00 0.00 178.44 180.31 2e8p h GLY 78 N 2.52 1.69 0.40 3.75 0.00 -1.51 0.14 103.07 110.07 2e8p h GLY 78 Ca -0.00 -0.36 0.23 0.00 0.00 0.00 0.00 47.33 47.20 2e8p h GLY 78 CO 0.05 -0.01 0.57 -1.80 0.00 0.00 0.00 176.54 175.35 2e8p h ASP 79 N 0.79 0.01 0.15 0.19 3.58 -1.80 0.21 116.42 119.55 2e8p h ASP 79 Ca 0.54 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.64 2e8p h ASP 79 Cb 0.77 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2e8p h ASP 79 CO -0.36 0.00 -1.86 1.56 -2.88 0.00 0.00 179.24 175.71 2e8p h GLN 80 N 0.01 0.31 -0.18 0.28 1.08 -0.97 -3.32 115.11 112.31 2e8p h GLN 80 Ca 0.38 -0.53 -0.00 0.00 -1.45 0.00 0.00 58.65 57.05 2e8p h GLN 80 Cb 1.51 0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 29.13 2e8p h GLN 80 CO -0.01 1.25 0.10 -0.07 -0.95 0.00 0.00 178.83 179.15 2e8p h LEU 81 N 0.04 0.23 -0.48 1.46 3.38 -0.32 -2.92 115.31 116.71 2e8p h LEU 81 Ca -0.39 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 57.59 2e8p h LEU 81 Cb 2.03 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 42.64 2e8p h LEU 81 CO 0.11 0.25 -0.01 -0.74 0.09 0.00 0.00 178.44 178.15 2e8p h HIS 82 N 0.19 -0.04 -0.94 1.13 2.76 -0.82 0.63 115.15 118.06 2e8p h HIS 82 Ca 0.06 0.04 0.20 0.00 -2.20 0.00 0.00 60.37 58.47 2e8p h HIS 82 Cb 0.08 0.09 -0.08 0.00 1.55 0.00 0.00 27.41 29.05 2e8p h HIS 82 CO -0.04 -0.11 0.61 0.00 -1.30 0.00 0.00 177.93 177.09 2e8p h ALA 83 N 1.43 2.09 -0.00 5.26 0.00 -1.62 0.20 119.26 126.63 2e8p h ALA 83 Ca 0.24 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2e8p h ALA 83 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2e8p h ALA 83 CO -0.41 -0.40 -0.04 1.96 0.00 0.00 0.00 179.25 180.36 2e8p h GLN 84 N 0.49 0.03 -0.04 0.00 1.08 -0.84 -3.24 115.11 112.58 2e8p h GLN 84 Ca 0.50 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.68 2e8p h GLN 84 Cb 1.12 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.56 2e8p h GLN 84 CO -0.22 0.81 0.03 -0.07 -0.95 0.00 0.00 178.83 178.44 2e8p h LEU 85 N -0.74 0.00 -1.44 1.46 3.38 -0.21 -0.03 115.31 117.72 2e8p h LEU 85 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2e8p h LEU 85 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2e8p h LEU 85 CO 0.01 0.00 -0.25 0.03 0.09 0.00 0.00 178.44 178.32 2e8p h ARG 86 N 0.00 0.00 0.09 1.13 3.08 -0.67 -2.73 114.38 115.28 2e8p h ARG 86 Ca 0.02 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.76 2e8p h ARG 86 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2e8p h ARG 86 CO -0.00 0.25 -1.66 -0.44 -1.07 0.00 0.00 179.97 177.04 2e8p h ASP 87 N 0.00 0.29 0.27 7.04 5.19 -1.06 -3.00 116.42 125.15 2e8p h ASP 87 Ca -0.00 -0.48 -0.01 0.00 -0.62 0.00 0.00 57.03 55.91 2e8p h ASP 87 Cb 0.58 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.00 2e8p h ASP 87 CO 0.03 1.42 -0.15 -0.07 -3.12 0.00 0.00 179.24 177.35 2e8p h LEU 88 N 0.05 -0.36 -0.72 1.55 3.38 -1.22 -2.31 115.31 115.69 2e8p h LEU 88 Ca -0.29 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 2e8p h LEU 88 Cb 2.01 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.85 2e8p h LEU 88 CO 0.12 -0.24 -0.38 0.71 0.09 0.00 0.00 178.44 178.74 2e8p h THR 89 N -0.39 1.30 -0.61 0.22 1.35 -1.66 -3.11 112.91 110.00 2e8p h THR 89 Ca -0.03 -1.52 0.09 0.00 -0.55 0.00 0.00 66.41 64.40 2e8p h THR 89 Cb 0.31 1.52 -0.07 0.00 -1.73 0.00 0.00 68.15 68.18 2e8p h THR 89 CO 0.05 0.48 0.24 -1.28 -0.25 0.00 0.00 175.52 174.75 2e8p h SER 90 N 0.45 0.24 -1.58 5.36 0.87 -1.36 -3.48 113.55 114.06 2e8p h SER 90 Ca 0.04 0.08 0.09 0.00 -1.23 0.00 0.00 61.79 60.77 2e8p h SER 90 Cb 0.86 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 2e8p h SER 90 CO 0.07 0.14 -0.12 -1.20 -0.53 0.00 0.00 176.83 175.19 2e8p n SER 91 N -4.99 -6.53 -0.59 6.23 7.64 -0.89 -5.09 113.62 109.41 2e8p n SER 91 Ca 0.09 0.37 0.07 0.00 1.01 0.00 0.00 58.87 60.41 2e8p n SER 91 Cb 0.27 -1.04 0.06 0.00 -1.01 0.00 0.00 64.21 62.49 2e8p n SER 91 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79