#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e0g n LEU 2 N 0.00 0.00 -4.98 1.04 4.32 -1.26 -5.06 117.00 111.06 2e0g n LEU 2 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.80 2e0g n LEU 2 Cb 0.00 0.10 -0.01 0.00 -1.62 0.00 0.00 43.42 41.89 2e0g n LEU 2 CO 0.00 -0.30 0.03 -0.44 -1.22 0.00 0.00 177.39 175.46 2e0g s SER 3 N -1.31 5.99 0.11 -1.43 0.01 -1.26 -4.98 113.70 110.82 2e0g s SER 3 Ca 0.00 -0.16 -0.33 0.00 1.31 0.00 0.00 55.95 56.77 2e0g s SER 3 Cb 0.00 -1.33 -0.13 0.00 0.21 0.00 0.00 66.02 64.77 2e0g s SER 3 CO 0.00 -0.36 1.57 0.25 0.41 0.00 0.00 173.24 175.12 2e0g h LEU 4 N 0.97 -1.40 -0.21 2.44 7.12 -2.01 -1.52 115.31 120.71 2e0g h LEU 4 Ca -0.47 0.15 0.03 0.00 0.13 0.00 0.00 57.88 57.72 2e0g h LEU 4 Cb 1.25 0.51 -0.05 0.00 -0.53 0.00 0.00 40.66 41.84 2e0g h LEU 4 CO 0.55 -0.55 -0.37 -0.25 -0.13 0.00 0.00 178.44 177.69 2e0g h TRP 5 N -0.75 -1.13 -0.83 1.25 7.01 -1.98 0.52 115.95 120.05 2e0g h TRP 5 Ca -0.00 0.05 0.15 0.00 2.11 0.00 0.00 58.89 61.20 2e0g h TRP 5 Cb 0.74 0.52 -0.15 0.00 -2.10 0.00 0.00 29.16 28.17 2e0g h TRP 5 CO -0.38 -0.34 -0.27 1.96 -2.79 0.00 0.00 178.44 176.61 2e0g h GLN 6 N -0.31 -0.03 -0.20 2.65 1.08 -1.93 0.15 115.11 116.51 2e0g h GLN 6 Ca 0.04 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.28 2e0g h GLN 6 Cb 0.42 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.82 2e0g h GLN 6 CO -0.36 -0.02 -0.03 0.37 -0.95 0.00 0.00 178.83 177.84 2e0g h GLN 7 N -0.03 0.03 -0.92 1.46 4.15 -0.24 -1.26 115.11 118.29 2e0g h GLN 7 Ca 0.36 -0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.95 2e0g h GLN 7 Cb 0.60 -0.01 -0.10 0.00 0.21 0.00 0.00 27.48 28.18 2e0g h GLN 7 CO -0.86 0.02 0.51 0.00 -1.93 0.00 0.00 178.83 176.57 2e0g h LEU 9 N 0.68 -0.57 -1.11 0.00 3.38 -0.48 -1.65 115.31 115.57 2e0g h LEU 9 Ca 0.52 -0.07 0.19 0.00 0.09 0.00 0.00 57.88 58.61 2e0g h LEU 9 Cb 0.78 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.58 2e0g h LEU 9 CO -0.38 -0.20 0.61 0.00 0.09 0.00 0.00 178.44 178.56 2e0g h ALA 10 N -0.70 1.77 -0.53 1.53 0.00 -0.75 0.15 119.26 120.73 2e0g h ALA 10 Ca -0.07 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2e0g h ALA 10 Cb 0.60 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2e0g h ALA 10 CO 0.11 -0.11 -0.13 -0.09 0.00 0.00 0.00 179.25 179.03 2e0g h ARG 11 N 0.72 1.02 -0.03 0.00 1.12 -0.82 0.35 114.38 116.74 2e0g h ARG 11 Ca 0.55 -0.39 -0.12 0.00 -1.11 0.00 0.00 59.98 58.91 2e0g h ARG 11 Cb 0.92 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.80 2e0g h ARG 11 CO -0.33 1.08 -0.53 1.25 -3.11 0.00 0.00 179.97 178.33 2e0g h LEU 12 N 0.90 0.08 0.00 3.80 6.46 0.05 0.50 115.31 127.10 2e0g h LEU 12 Ca 0.13 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2e0g h LEU 12 Cb 0.71 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 2e0g h LEU 12 CO 0.05 0.60 -0.74 -0.61 -0.62 0.00 0.00 178.44 177.13 2e0g h GLN 13 N 0.06 0.00 0.11 1.25 5.75 -0.60 -3.31 115.11 118.36 2e0g h GLN 13 Ca -0.00 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.14 2e0g h GLN 13 Cb 0.96 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.49 2e0g h GLN 13 CO 0.07 0.00 -1.98 -0.25 -2.65 0.00 0.00 178.83 174.03 2e0g n ASP 14 N -2.34 2.00 -0.07 -0.69 9.92 0.12 -4.14 116.55 121.34 2e0g n ASP 14 Ca 0.02 0.23 0.02 0.00 -0.53 0.00 0.00 54.79 54.53 2e0g n ASP 14 Cb 0.48 -0.78 0.34 0.00 -0.64 0.00 0.00 41.12 40.52 2e0g n ASP 14 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2e0g h GLU 15 N 0.06 0.70 -1.43 -1.24 4.81 -1.04 -3.46 114.58 112.98 2e0g h GLU 15 Ca -0.41 -0.06 0.22 0.00 -0.13 0.00 0.00 59.36 58.97 2e0g h GLU 15 Cb 2.03 -0.15 -0.21 0.00 0.63 0.00 0.00 28.75 31.05 2e0g h GLU 15 CO 0.09 0.50 0.79 -0.51 -0.73 0.00 0.00 179.01 179.15 2e0g s LEU 16 N -9.53 -0.16 -0.66 1.64 1.43 -1.25 -5.10 118.68 105.05 2e0g s LEU 16 Ca -0.09 0.07 -0.26 0.00 -1.03 0.00 0.00 54.13 52.82 2e0g s LEU 16 Cb 0.17 1.42 -0.03 0.00 0.03 0.00 0.00 46.19 47.79 2e0g s LEU 16 CO 0.76 -0.22 1.88 -2.16 0.23 0.00 0.00 176.35 176.83 2e0g s PRO 17 N -1.92 2.61 -0.43 1.29 0.04 -1.26 -4.34 135.00 130.99 2e0g s PRO 17 Ca 0.07 0.46 0.04 0.00 0.04 0.00 0.00 61.00 61.62 2e0g s PRO 17 Cb -0.01 -4.50 0.17 0.00 0.04 0.00 0.00 34.50 30.20 2e0g s PRO 17 CO -0.05 -2.84 0.40 0.00 0.04 0.00 0.00 177.00 174.55 2e0g s ALA 18 N 9.26 0.84 -0.42 8.56 0.00 -1.26 -4.96 121.76 133.78 2e0g s ALA 18 Ca 0.68 -2.13 0.16 0.00 0.00 0.00 0.00 51.96 50.67 2e0g s ALA 18 Cb -0.12 -1.76 0.87 0.00 0.00 0.00 0.00 23.12 22.10 2e0g s ALA 18 CO 0.17 -2.01 1.50 2.41 0.00 0.00 0.00 175.76 177.82 2e0g n THR 19 N 2.87 1.27 -0.16 0.00 -1.04 -1.26 -3.08 114.28 112.89 2e0g n THR 19 Ca 0.28 0.65 -0.13 0.00 -2.04 0.00 0.00 64.05 62.81 2e0g n THR 19 Cb 0.49 -1.65 -0.10 0.00 -1.82 0.00 0.00 70.33 67.26 2e0g n THR 19 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2e0g h GLU 20 N 0.00 -0.36 -0.88 -2.82 4.39 -2.00 0.34 114.58 113.25 2e0g h GLU 20 Ca 0.00 0.02 0.22 0.00 0.34 0.00 0.00 59.36 59.94 2e0g h GLU 20 Cb 0.02 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.69 2e0g h GLU 20 CO 0.00 -0.24 0.60 0.27 -1.16 0.00 0.00 179.01 178.48 2e0g h PHE 21 N -0.37 0.35 0.00 4.33 -5.15 -1.92 0.68 116.94 114.87 2e0g h PHE 21 Ca 0.08 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.86 2e0g h PHE 21 Cb 0.59 -0.11 0.00 0.00 0.22 0.00 0.00 35.95 36.65 2e0g h PHE 21 CO -0.74 0.09 0.00 1.03 -2.00 0.00 0.00 178.31 176.69 2e0g h SER 22 N 0.26 0.00 0.00 -0.68 0.87 -0.52 -0.46 113.55 113.02 2e0g h SER 22 Ca 0.45 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.75 2e0g h SER 22 Cb 1.32 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.23 2e0g h SER 22 CO -0.12 0.00 -2.01 0.23 -0.53 0.00 0.00 176.83 174.40 2e0g n MET 23 N -2.37 1.49 -1.02 2.24 2.81 0.23 -3.55 117.12 116.94 2e0g n MET 23 Ca -0.00 -0.02 -0.04 0.00 -1.81 0.00 0.00 57.70 55.83 2e0g n MET 23 Cb 0.12 -1.39 0.33 0.00 -0.71 0.00 0.00 33.22 31.57 2e0g n MET 23 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 2e0g n TRP 24 N -2.53 2.45 0.00 2.03 7.02 -0.57 -4.39 117.44 121.45 2e0g n TRP 24 Ca -0.23 -1.13 0.00 0.00 -1.02 0.00 0.00 57.50 55.12 2e0g n TRP 24 Cb 0.96 -0.67 0.00 0.00 -2.42 0.00 0.00 31.31 29.17 2e0g n TRP 24 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2e0g n ILE 25 N -0.01 0.00 0.01 -0.99 2.08 -0.23 -4.78 119.36 115.45 2e0g n ILE 25 Ca 0.39 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.56 2e0g n ILE 25 Cb 1.38 -0.03 -0.08 0.00 -0.75 0.00 0.00 39.64 40.15 2e0g n ILE 25 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2e0g h ARG 26 N 0.00 -0.55 0.00 0.38 2.47 -1.70 0.91 114.38 115.89 2e0g h ARG 26 Ca 0.00 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2e0g h ARG 26 Cb 0.00 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2e0g h ARG 26 CO 0.00 -0.37 0.00 -0.35 0.56 0.00 0.00 179.97 179.81 2e0g n PRO 27 N -5.44 0.07 -2.44 0.04 -0.04 -1.26 -4.77 135.00 121.16 2e0g n PRO 27 Ca -0.05 0.22 -0.27 0.00 -0.04 0.00 0.00 63.50 63.35 2e0g n PRO 27 Cb 0.38 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.36 2e0g n PRO 27 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2e0g s LEU 28 N -2.85 3.35 -0.27 1.53 1.43 0.31 -4.84 118.68 117.35 2e0g s LEU 28 Ca 0.09 0.81 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 2e0g s LEU 28 Cb 0.10 -3.68 0.06 0.00 0.03 0.00 0.00 46.19 42.69 2e0g s LEU 28 CO 0.25 -0.91 -0.10 -1.58 0.23 0.00 0.00 176.35 174.24 2e0g s GLN 29 N -4.92 2.17 0.17 1.70 -0.44 -0.55 -4.92 119.66 112.87 2e0g s GLN 29 Ca 0.52 -1.40 -0.21 0.00 -2.50 0.00 0.00 55.36 51.78 2e0g s GLN 29 Cb -0.10 -2.92 -0.08 0.00 -1.64 0.00 0.00 33.01 28.27 2e0g s GLN 29 CO 0.45 -0.60 0.70 0.00 0.50 0.00 0.00 175.29 176.34 2e0g s ALA 30 N 1.08 3.47 -0.11 1.58 0.00 -1.26 0.34 121.76 126.87 2e0g s ALA 30 Ca -0.07 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.07 2e0g s ALA 30 Cb -0.20 -2.80 0.02 0.00 0.00 0.00 0.00 23.12 20.14 2e0g s ALA 30 CO -0.05 0.34 -0.11 -2.00 0.00 0.00 0.00 175.76 173.94 2e0g s GLU 31 N -1.59 1.81 -0.27 0.00 2.12 -0.32 -4.94 118.70 115.51 2e0g s GLU 31 Ca 0.38 -0.39 -0.18 0.00 0.36 0.00 0.00 54.97 55.14 2e0g s GLU 31 Cb -0.19 -1.68 -0.03 0.00 0.26 0.00 0.00 34.13 32.49 2e0g s GLU 31 CO 0.22 -0.16 0.51 -0.51 -0.54 0.00 0.00 175.26 174.78 2e0g s LEU 32 N 1.32 4.07 -0.26 2.70 1.43 -1.26 -0.66 118.68 126.01 2e0g s LEU 32 Ca -0.01 0.48 0.13 0.00 -1.03 0.00 0.00 54.13 53.70 2e0g s LEU 32 Cb -0.14 -2.65 0.80 0.00 0.03 0.00 0.00 46.19 44.23 2e0g s LEU 32 CO -0.05 -0.30 1.77 -0.24 0.23 0.00 0.00 176.35 177.76 2e0g n SER 33 N 5.55 5.49 0.00 2.29 2.88 -0.20 -4.88 113.62 124.76 2e0g n SER 33 Ca -0.04 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 2e0g n SER 33 Cb 0.50 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 2e0g n SER 33 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2e0g n ASP 34 N 0.40 0.00 -0.20 -3.46 2.03 -1.26 -4.35 116.55 109.71 2e0g n ASP 34 Ca 0.32 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.63 2e0g n ASP 34 Cb 1.26 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 2e0g n ASP 34 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2e0g n ASN 35 N 0.00 0.00 -3.63 1.67 5.03 -1.26 -5.03 115.26 112.03 2e0g n ASN 35 Ca 0.00 -0.48 -0.01 0.00 0.87 0.00 0.00 54.58 54.96 2e0g n ASN 35 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 2e0g n ASN 35 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2e0g s THR 36 N 0.00 -0.89 -0.55 3.41 2.01 -1.26 -1.84 115.64 116.52 2e0g s THR 36 Ca 0.00 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 2e0g s THR 36 Cb 0.00 -1.00 0.09 0.00 0.01 0.00 0.00 72.50 71.60 2e0g s THR 36 CO 0.00 0.00 0.64 -0.22 -0.69 0.00 0.00 174.62 174.35 2e0g s LEU 37 N 2.78 5.37 0.44 4.42 0.20 0.10 -1.03 118.68 130.95 2e0g s LEU 37 Ca -0.06 -1.31 -0.07 0.00 0.69 0.00 0.00 54.13 53.38 2e0g s LEU 37 Cb -0.11 -2.32 -0.05 0.00 -0.43 0.00 0.00 46.19 43.28 2e0g s LEU 37 CO -0.19 -0.99 0.76 0.00 -0.29 0.00 0.00 176.35 175.65 2e0g s ALA 38 N 2.48 3.40 -0.13 5.97 0.00 0.16 -0.03 121.76 133.61 2e0g s ALA 38 Ca 0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 2e0g s ALA 38 Cb -0.23 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.31 2e0g s ALA 38 CO 0.08 -0.18 -0.04 -0.51 0.00 0.00 0.00 175.76 175.11 2e0g s LEU 39 N -4.31 1.23 -0.57 0.00 2.01 0.18 -1.17 118.68 116.05 2e0g s LEU 39 Ca 0.49 -0.44 -0.18 0.00 0.01 0.00 0.00 54.13 54.01 2e0g s LEU 39 Cb -0.10 -0.78 0.11 0.00 0.01 0.00 0.00 46.19 45.43 2e0g s LEU 39 CO 0.39 -0.17 0.65 -0.31 1.01 0.00 0.00 176.35 177.91 2e0g s TYR 40 N 1.74 3.06 0.38 0.29 1.51 0.15 0.07 117.35 124.55 2e0g s TYR 40 Ca 0.03 -1.02 -0.03 0.00 -1.01 0.00 0.00 57.07 55.05 2e0g s TYR 40 Cb -0.14 -3.92 -0.04 0.00 -0.11 0.00 0.00 41.96 37.75 2e0g s TYR 40 CO -0.07 -1.21 0.63 0.00 -1.11 0.00 0.00 175.55 173.79 2e0g s ALA 41 N 2.41 3.58 0.01 3.71 0.00 0.32 -1.49 121.76 130.30 2e0g s ALA 41 Ca 0.09 -0.70 0.32 0.00 0.00 0.00 0.00 51.96 51.67 2e0g s ALA 41 Cb -0.25 -2.31 1.33 0.00 0.00 0.00 0.00 23.12 21.89 2e0g s ALA 41 CO 0.06 -0.08 1.95 -1.00 0.00 0.00 0.00 175.76 176.69 2e0g h PRO 42 N 0.77 0.00 0.00 0.00 0.13 -1.88 0.36 132.00 131.38 2e0g h PRO 42 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2e0g h PRO 42 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2e0g h PRO 42 CO 0.62 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.66 2e0g n ASN 43 N -2.93 0.00 0.08 1.44 2.04 -1.26 -4.52 115.26 110.12 2e0g n ASN 43 Ca 0.01 -0.71 -0.22 0.00 -0.44 0.00 0.00 54.58 53.22 2e0g n ASN 43 Cb 0.28 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.39 2e0g n ASN 43 CO 0.00 0.00 0.00 0.03 -0.44 0.00 0.00 177.26 176.85 2e0g h ARG 44 N 0.00 0.44 -0.46 -3.83 3.08 -1.96 -3.10 114.38 108.55 2e0g h ARG 44 Ca 0.00 -0.69 0.07 0.00 0.07 0.00 0.00 59.98 59.42 2e0g h ARG 44 Cb 0.00 0.25 -0.09 0.00 0.08 0.00 0.00 29.97 30.21 2e0g h ARG 44 CO 0.00 1.32 -0.49 0.35 -1.07 0.00 0.00 179.97 180.08 2e0g h PHE 45 N -0.08 -1.47 -0.83 3.04 3.04 -1.99 0.11 116.94 118.74 2e0g h PHE 45 Ca -0.18 0.08 -0.01 0.00 3.98 0.00 0.00 57.97 61.84 2e0g h PHE 45 Cb 1.83 0.71 -0.04 0.00 2.56 0.00 0.00 35.95 41.01 2e0g h PHE 45 CO 0.16 -0.46 0.49 0.28 -2.02 0.00 0.00 178.31 176.76 2e0g h VAL 46 N -0.33 1.24 0.41 1.41 2.07 -1.99 -1.10 116.25 117.96 2e0g h VAL 46 Ca 0.12 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 2e0g h VAL 46 Cb 0.58 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2e0g h VAL 46 CO -0.62 0.25 -0.49 0.25 0.02 0.00 0.00 177.57 176.98 2e0g h LEU 47 N 1.15 -1.38 -1.42 2.57 5.85 -0.99 0.23 115.31 121.32 2e0g h LEU 47 Ca 0.30 0.12 0.02 0.00 0.84 0.00 0.00 57.88 59.16 2e0g h LEU 47 Cb -0.02 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2e0g h LEU 47 CO -0.05 -0.62 0.41 -0.78 -0.34 0.00 0.00 178.44 177.05 2e0g h ASP 48 N -0.92 0.66 0.62 1.25 3.58 -0.80 -1.93 116.42 118.87 2e0g h ASP 48 Ca -0.05 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.36 2e0g h ASP 48 Cb 0.82 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 41.72 2e0g h ASP 48 CO -0.11 0.46 -0.30 -0.25 -2.88 0.00 0.00 179.24 176.17 2e0g h TRP 49 N 0.77 -0.77 -0.41 0.28 2.91 -0.58 -1.52 115.95 116.63 2e0g h TRP 49 Ca 0.24 -0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.32 2e0g h TRP 49 Cb 0.02 0.26 -0.06 0.00 -0.51 0.00 0.00 29.16 28.86 2e0g h TRP 49 CO -0.00 -0.44 0.02 0.28 -1.03 0.00 0.00 178.44 177.27 2e0g h VAL 50 N -0.96 0.71 0.00 2.65 2.07 -0.34 0.26 116.25 120.64 2e0g h VAL 50 Ca -0.09 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2e0g h VAL 50 Cb 0.68 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2e0g h VAL 50 CO 0.14 0.02 0.00 -1.14 0.02 0.00 0.00 177.57 176.61 2e0g n ARG 51 N -5.18 0.11 -0.07 1.57 0.00 -0.74 -0.21 116.66 112.14 2e0g n ARG 51 Ca 0.03 0.47 -0.11 0.00 -0.00 0.00 0.00 57.85 58.24 2e0g n ARG 51 Cb 0.21 -1.77 -0.11 0.00 0.00 0.00 0.00 32.46 30.79 2e0g n ARG 51 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2e0g h ASP 52 N 0.00 -0.00 0.00 6.15 3.58 0.59 -3.36 116.42 123.37 2e0g h ASP 52 Ca 0.00 -0.82 0.00 0.00 0.42 0.00 0.00 57.03 56.63 2e0g h ASP 52 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2e0g h ASP 52 CO 0.00 0.91 -0.59 2.29 -2.88 0.00 0.00 179.24 178.97 2e0g n LYS 53 N -4.64 0.31 -0.37 0.28 0.00 -0.94 -4.35 118.16 108.44 2e0g n LYS 53 Ca -0.08 0.12 -0.02 0.00 -0.00 0.00 0.00 58.31 58.33 2e0g n LYS 53 Cb 0.39 -1.04 0.02 0.00 -0.00 0.00 0.00 35.03 34.40 2e0g n LYS 53 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2e0g n TYR 54 N -3.68 -0.02 -0.08 5.58 9.36 0.70 -1.25 117.16 127.77 2e0g n TYR 54 Ca -0.08 1.18 -0.05 0.00 3.32 0.00 0.00 57.90 62.27 2e0g n TYR 54 Cb 0.31 -0.83 -0.04 0.00 -0.63 0.00 0.00 39.34 38.15 2e0g n TYR 54 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 2e0g h LEU 55 N 0.00 -0.75 -0.91 2.98 5.85 -1.53 0.19 115.31 121.14 2e0g h LEU 55 Ca 0.31 0.10 0.14 0.00 0.84 0.00 0.00 57.88 59.28 2e0g h LEU 55 Cb 0.55 0.31 -0.15 0.00 0.37 0.00 0.00 40.66 41.75 2e0g h LEU 55 CO -0.95 -0.14 -0.38 0.78 -0.34 0.00 0.00 178.44 177.42 2e0g h ASN 56 N -0.12 -1.37 0.48 1.25 2.35 -1.37 0.31 115.58 117.10 2e0g h ASN 56 Ca 0.04 0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 56.07 2e0g h ASN 56 Cb 0.21 0.72 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 2e0g h ASN 56 CO -0.26 -0.29 -0.48 0.78 -1.65 0.00 0.00 177.43 175.52 2e0g h ASN 57 N -0.04 -1.32 -0.42 5.81 2.35 -0.72 -1.90 115.58 119.34 2e0g h ASN 57 Ca 0.32 0.11 0.09 0.00 -0.55 0.00 0.00 56.30 56.27 2e0g h ASN 57 Cb 0.59 0.44 -0.09 0.00 0.05 0.00 0.00 38.32 39.31 2e0g h ASN 57 CO -0.92 -0.64 -0.21 0.40 -1.65 0.00 0.00 177.43 174.41 2e0g h ILE 58 N -0.97 0.39 -0.39 2.81 1.08 0.83 -1.86 117.51 119.41 2e0g h ILE 58 Ca -0.05 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.49 2e0g h ILE 58 Cb 0.84 0.39 -0.09 0.00 -3.07 0.00 0.00 36.82 34.90 2e0g h ILE 58 CO -0.07 0.00 -0.35 0.78 -0.69 0.00 0.00 178.15 177.82 2e0g h ASN 59 N -0.13 -1.17 -0.96 1.72 -0.26 -0.23 0.23 115.58 114.78 2e0g h ASN 59 Ca 0.20 0.20 0.18 0.00 -0.56 0.00 0.00 56.30 56.32 2e0g h ASN 59 Cb 0.44 0.54 -0.09 0.00 -1.06 0.00 0.00 38.32 38.15 2e0g h ASN 59 CO -0.50 -0.34 0.61 1.23 -1.06 0.00 0.00 177.43 177.37 2e0g h GLY 60 N -0.28 1.45 0.51 2.83 0.00 -0.55 -1.55 103.07 105.47 2e0g h GLY 60 Ca 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2e0g h GLY 60 CO -0.54 0.01 -0.07 -2.00 0.00 0.00 0.00 176.54 173.93 2e0g h LEU 61 N 0.70 0.12 -0.55 3.11 6.46 -0.37 -1.93 115.31 122.84 2e0g h LEU 61 Ca 0.52 -0.58 0.11 0.00 -0.12 0.00 0.00 57.88 57.82 2e0g h LEU 61 Cb 0.89 -0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 40.69 2e0g h LEU 61 CO -0.29 0.68 -0.02 -0.07 -0.62 0.00 0.00 178.44 178.12 2e0g h LEU 62 N -0.43 -0.28 -0.31 2.25 4.07 0.13 0.58 115.31 121.32 2e0g h LEU 62 Ca 0.00 0.14 -0.05 0.00 0.08 0.00 0.00 57.88 58.05 2e0g h LEU 62 Cb 0.66 0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 2e0g h LEU 62 CO 0.02 -0.11 -0.02 0.74 -1.08 0.00 0.00 178.44 177.99 2e0g h THR 63 N 0.10 1.26 0.00 0.22 2.02 -1.36 -1.53 112.91 113.61 2e0g h THR 63 Ca 0.28 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 2e0g h THR 63 Cb 0.44 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 68.14 2e0g h THR 63 CO -0.48 0.32 -0.03 -1.28 0.37 0.00 0.00 175.52 174.41 2e0g h SER 64 N 0.35 0.00 0.12 4.18 0.87 -0.47 0.34 113.55 118.94 2e0g h SER 64 Ca 0.09 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.45 2e0g h SER 64 Cb 0.47 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2e0g h SER 64 CO 0.02 0.03 -0.93 0.15 -0.53 0.00 0.00 176.83 175.57 2e0g h PHE 65 N 0.00 0.45 0.00 2.24 3.57 0.50 -3.45 116.94 120.25 2e0g h PHE 65 Ca -0.00 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.17 2e0g h PHE 65 Cb 0.35 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.08 2e0g h PHE 65 CO 0.00 1.36 -0.41 0.00 -2.23 0.00 0.00 178.31 177.03 2e0g n GLY 67 N 2.13 -1.66 3.44 0.00 0.00 0.12 -4.60 105.19 104.62 2e0g n GLY 67 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2e0g n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e0g n ALA 68 N 0.22 0.00 0.04 4.61 0.00 -1.26 -4.68 120.51 119.44 2e0g n ALA 68 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2e0g n ALA 68 Cb 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 2e0g n ALA 68 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2e0g n ASP 69 N 0.00 3.15 -4.65 0.00 2.03 -1.26 -5.04 116.55 110.77 2e0g n ASP 69 Ca 0.00 -0.10 -0.30 0.00 0.52 0.00 0.00 54.79 54.91 2e0g n ASP 69 Cb 0.00 1.22 0.17 0.00 -0.72 0.00 0.00 41.12 41.79 2e0g n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e0g s ALA 70 N -2.26 1.11 1.00 -1.67 0.00 -1.26 -5.01 121.76 113.66 2e0g s ALA 70 Ca -0.01 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.20 2e0g s ALA 70 Cb 0.04 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2e0g s ALA 70 CO 0.24 -2.83 0.00 -0.35 0.00 0.00 0.00 175.76 172.82 2e0g n PRO 71 N -4.25 -0.36 -4.64 0.00 -0.04 -1.26 -5.01 135.00 119.43 2e0g n PRO 71 Ca 0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 2e0g n PRO 71 Cb 0.53 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.91 2e0g n PRO 71 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2e0g s GLN 72 N -2.01 2.06 0.08 0.54 -0.21 -0.76 -4.95 119.66 114.40 2e0g s GLN 72 Ca 0.00 -2.29 0.07 0.00 0.02 0.00 0.00 55.36 53.16 2e0g s GLN 72 Cb 0.00 -1.10 -0.04 0.00 1.00 0.00 0.00 33.01 32.87 2e0g s GLN 72 CO 0.00 -0.41 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.12 2e0g s LEU 73 N -3.75 2.87 0.17 2.90 1.43 -1.26 0.00 118.68 121.04 2e0g s LEU 73 Ca 0.15 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 2e0g s LEU 73 Cb 0.02 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 2e0g s LEU 73 CO 0.09 0.21 -0.03 -0.13 0.23 0.00 0.00 176.35 176.72 2e0g s ARG 74 N -1.89 1.09 -0.00 1.70 0.52 0.96 -4.85 118.95 116.48 2e0g s ARG 74 Ca 0.18 -1.51 -0.11 0.00 -0.52 0.00 0.00 55.73 53.77 2e0g s ARG 74 Cb -0.11 -0.38 0.01 0.00 0.52 0.00 0.00 34.95 34.99 2e0g s ARG 74 CO 0.10 -0.07 0.22 -0.06 0.02 0.00 0.00 175.30 175.51 2e0g s PHE 75 N -3.55 -0.06 -0.21 -0.53 0.40 -1.26 0.48 117.98 113.25 2e0g s PHE 75 Ca 0.21 0.05 -0.17 0.00 -0.60 0.00 0.00 56.93 56.42 2e0g s PHE 75 Cb 0.05 0.02 0.06 0.00 0.51 0.00 0.00 43.02 43.66 2e0g s PHE 75 CO 0.03 -0.34 0.55 -2.00 0.70 0.00 0.00 175.22 174.15 2e0g s GLU 76 N -1.41 0.61 -0.50 0.44 2.12 0.11 -4.81 118.70 115.27 2e0g s GLU 76 Ca -0.14 0.83 -0.20 0.00 0.36 0.00 0.00 54.97 55.83 2e0g s GLU 76 Cb -0.06 0.24 0.05 0.00 0.26 0.00 0.00 34.13 34.61 2e0g s GLU 76 CO 0.03 -0.10 0.66 0.08 -0.54 0.00 0.00 175.26 175.38 2e0g s VAL 77 N 0.65 4.82 0.00 3.70 1.01 -1.26 -0.52 120.40 128.79 2e0g s VAL 77 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2e0g s VAL 77 Cb -0.05 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.03 2e0g s VAL 77 CO -0.04 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 174.87 2e0g n GLY 78 N 5.14 0.89 3.44 4.51 0.00 0.13 -4.58 105.19 114.72 2e0g n GLY 78 Ca -0.05 0.63 -0.21 0.00 0.00 0.00 0.00 46.02 46.39 2e0g n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e0g s THR 79 N 0.00 1.22 0.61 2.61 -4.23 -1.26 -4.93 115.64 109.65 2e0g s THR 79 Ca 0.00 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 58.38 2e0g s THR 79 Cb 0.00 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 2e0g s THR 79 CO 0.00 -0.04 1.03 -0.54 -0.54 0.00 0.00 174.62 174.53 2e0g s LYS 80 N -3.88 3.59 1.00 3.99 1.02 -1.26 -5.06 119.74 119.14 2e0g s LYS 80 Ca 0.36 0.82 -0.12 0.00 0.02 0.00 0.00 55.97 57.04 2e0g s LYS 80 Cb 0.08 -2.08 0.19 0.00 -0.52 0.00 0.00 37.83 35.50 2e0g s LYS 80 CO 0.15 -0.58 1.09 -1.25 -0.92 0.00 0.00 175.35 173.84 2e0g s PRO 81 N -4.93 0.38 0.01 -1.68 0.04 -1.26 -5.09 135.00 122.47 2e0g s PRO 81 Ca 0.56 0.51 -0.02 0.00 0.04 0.00 0.00 61.00 62.09 2e0g s PRO 81 Cb -0.11 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 2e0g s PRO 81 CO 0.50 -2.76 0.02 0.08 0.04 0.00 0.00 177.00 174.87 2e0g s VAL 82 N -2.96 0.09 -0.17 -0.36 1.01 -1.26 -5.16 120.40 111.59 2e0g s VAL 82 Ca 0.65 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 61.57 2e0g s VAL 82 Cb -0.19 -0.28 0.09 0.00 0.00 0.00 0.00 36.38 36.00 2e0g s VAL 82 CO 0.58 -0.43 0.83 0.42 0.00 0.00 0.00 175.10 176.50 2e0g s THR 83 N -1.32 0.00 -0.30 3.92 -4.23 -1.26 -5.15 115.64 107.30 2e0g s THR 83 Ca -0.14 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.19 2e0g s THR 83 Cb -0.09 -1.00 0.17 0.00 1.34 0.00 0.00 72.50 72.93 2e0g s THR 83 CO -0.00 0.00 1.24 -1.58 -0.54 0.00 0.00 174.62 173.73 2e0g s GLN 84 N -0.56 0.04 0.00 3.99 0.74 -1.26 -5.10 119.66 117.50 2e0g s GLN 84 Ca -0.04 0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.44 2e0g s GLN 84 Cb -0.02 0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.13 2e0g s GLN 84 CO 0.03 -0.03 0.00 -2.37 -0.55 0.00 0.00 175.29 172.36 2e0g n THR 85 N 5.36 0.00 -1.25 -0.34 5.66 -1.26 -5.17 114.28 117.29 2e0g n THR 85 Ca -0.09 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.60 2e0g n THR 85 Cb 0.55 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 69.43 2e0g n THR 85 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2e0g s PRO 86 N 0.00 2.09 -0.30 1.09 0.04 -1.26 -5.07 135.00 131.59 2e0g s PRO 86 Ca 0.00 1.11 -0.21 0.00 0.04 0.00 0.00 61.00 61.95 2e0g s PRO 86 Cb 0.00 -1.88 0.20 0.00 0.04 0.00 0.00 34.50 32.86 2e0g s PRO 86 CO 0.00 -1.75 1.37 -1.14 0.04 0.00 0.00 177.00 175.52 2e0g s GLN 87 N -4.91 0.04 -0.30 4.56 0.74 -1.26 -5.18 119.66 113.36 2e0g s GLN 87 Ca 0.62 0.06 -0.24 0.00 0.05 0.00 0.00 55.36 55.85 2e0g s GLN 87 Cb -0.17 0.02 0.19 0.00 1.10 0.00 0.00 33.01 34.14 2e0g s GLN 87 CO 0.56 -0.01 1.41 0.00 -0.55 0.00 0.00 175.29 176.70 2e0g s ALA 88 N 0.48 -2.27 -0.30 1.58 0.00 -1.26 -5.17 121.76 114.83 2e0g s ALA 88 Ca 0.00 1.72 -0.17 0.00 0.00 0.00 0.00 51.96 53.51 2e0g s ALA 88 Cb -0.04 -1.80 0.18 0.00 0.00 0.00 0.00 23.12 21.47 2e0g s ALA 88 CO -0.13 -0.13 1.16 0.00 0.00 0.00 0.00 175.76 176.66 2e0g s ALA 89 N 0.15 -3.10 -0.05 0.00 0.00 -1.26 -5.18 121.76 112.33 2e0g s ALA 89 Ca 0.06 1.85 -0.09 0.00 0.00 0.00 0.00 51.96 53.77 2e0g s ALA 89 Cb -0.05 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 20.86 2e0g s ALA 89 CO -0.15 -1.02 0.23 0.54 0.00 0.00 0.00 175.76 175.36 2e0g s VAL 90 N 2.29 0.04 -0.30 0.00 0.11 -1.26 -5.16 120.40 116.12 2e0g s VAL 90 Ca -0.01 -0.30 -0.23 0.00 -2.93 0.00 0.00 61.98 58.50 2e0g s VAL 90 Cb -0.04 -0.43 0.19 0.00 -1.53 0.00 0.00 36.38 34.58 2e0g s VAL 90 CO -0.16 -0.17 1.41 0.28 -3.33 0.00 0.00 175.10 173.13 2e0g s THR 91 N -0.63 0.00 -0.29 5.04 -1.32 -1.26 -5.18 115.64 112.00 2e0g s THR 91 Ca -0.07 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.13 2e0g s THR 91 Cb -0.04 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.14 2e0g s THR 91 CO 0.02 0.00 1.40 -0.94 -2.21 0.00 0.00 174.62 172.88 2e0g s SER 92 N 0.22 -0.02 -0.30 8.08 1.04 -1.26 -5.18 113.70 116.28 2e0g s SER 92 Ca 0.04 0.03 -0.16 0.00 0.48 0.00 0.00 55.95 56.34 2e0g s SER 92 Cb -0.04 0.03 0.19 0.00 0.10 0.00 0.00 66.02 66.29 2e0g s SER 92 CO -0.15 -0.02 1.19 0.54 0.98 0.00 0.00 173.24 175.78 2e0g s ASN 93 N -0.78 -0.18 0.03 7.02 4.22 -1.26 -5.18 114.94 118.81 2e0g s ASN 93 Ca 0.09 0.28 0.01 0.00 -2.14 0.00 0.00 52.86 51.10 2e0g s ASN 93 Cb -0.02 1.07 -0.02 0.00 1.28 0.00 0.00 41.25 43.56 2e0g s ASN 93 CO -0.10 -0.04 -0.04 0.54 -2.04 0.00 0.00 177.10 175.41 2e0g s VAL 94 N 1.12 0.25 -0.29 3.54 0.11 -1.26 -5.16 120.40 118.71 2e0g s VAL 94 Ca -0.08 -1.00 -0.26 0.00 -2.93 0.00 0.00 61.98 57.70 2e0g s VAL 94 Cb -0.03 -0.42 0.19 0.00 -1.53 0.00 0.00 36.38 34.59 2e0g s VAL 94 CO -0.11 -0.49 1.40 0.00 -3.33 0.00 0.00 175.10 172.58 2e0g s ALA 95 N -1.54 -2.19 -0.32 1.54 0.00 -1.26 -5.11 121.76 112.88 2e0g s ALA 95 Ca -0.13 1.72 -0.02 0.00 0.00 0.00 0.00 51.96 53.53 2e0g s ALA 95 Cb -0.09 -1.71 0.28 0.00 0.00 0.00 0.00 23.12 21.60 2e0g s ALA 95 CO -0.01 -0.13 1.28 0.00 0.00 0.00 0.00 175.76 176.90 2e0g n ALA 96 N 1.41 -3.70 -1.23 0.00 0.00 -1.26 -5.17 120.51 110.56 2e0g n ALA 96 Ca -0.09 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 2e0g n ALA 96 Cb 0.57 -3.37 0.12 0.00 0.00 0.00 0.00 19.45 16.77 2e0g n ALA 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2e0g s PRO 97 N 0.06 1.68 -0.30 0.00 0.04 -1.26 -5.07 135.00 130.15 2e0g s PRO 97 Ca 0.25 0.97 -0.25 0.00 0.04 0.00 0.00 61.00 62.01 2e0g s PRO 97 Cb 0.21 -1.85 0.19 0.00 0.04 0.00 0.00 34.50 33.10 2e0g s PRO 97 CO -0.08 -1.99 1.42 0.00 0.04 0.00 0.00 177.00 176.39 2e0g s ALA 98 N -2.92 -2.21 -0.29 8.56 0.00 -1.26 -5.18 121.76 118.46 2e0g s ALA 98 Ca 0.62 1.70 -0.22 0.00 0.00 0.00 0.00 51.96 54.06 2e0g s ALA 98 Cb -0.18 -1.75 0.18 0.00 0.00 0.00 0.00 23.12 21.38 2e0g s ALA 98 CO 0.57 -0.11 1.30 -1.14 0.00 0.00 0.00 175.76 176.37 2e0g s GLN 99 N -0.05 0.15 -0.17 0.00 2.00 -1.26 -5.18 119.66 115.15 2e0g s GLN 99 Ca 0.07 0.21 -0.29 0.00 -2.00 0.00 0.00 55.36 53.35 2e0g s GLN 99 Cb -0.05 0.06 0.10 0.00 0.80 0.00 0.00 33.01 33.93 2e0g s GLN 99 CO -0.15 -0.02 0.88 0.54 -0.50 0.00 0.00 175.29 176.04 2e0g s VAL 100 N 0.41 0.00 -0.29 1.34 0.11 -1.26 -5.18 120.40 115.54 2e0g s VAL 100 Ca 0.02 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.81 2e0g s VAL 100 Cb -0.04 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 33.99 2e0g s VAL 100 CO -0.13 0.00 1.40 0.00 -3.33 0.00 0.00 175.10 173.05 2e0g s ALA 101 N -0.68 -2.19 -0.26 1.54 0.00 -1.26 -5.18 121.76 113.73 2e0g s ALA 101 Ca -0.03 1.72 -0.26 0.00 0.00 0.00 0.00 51.96 53.39 2e0g s ALA 101 Cb -0.02 -1.72 0.09 0.00 0.00 0.00 0.00 23.12 21.48 2e0g s ALA 101 CO 0.02 -0.13 0.85 -1.14 0.00 0.00 0.00 175.76 175.37 2e0g s GLN 102 N -0.12 0.71 -0.10 0.00 0.74 -1.26 -5.18 119.66 114.45 2e0g s GLN 102 Ca 0.07 0.76 -0.30 0.00 0.05 0.00 0.00 55.36 55.93 2e0g s GLN 102 Cb -0.04 0.35 0.12 0.00 1.10 0.00 0.00 33.01 34.53 2e0g s GLN 102 CO -0.14 -0.10 0.99 -0.08 -0.55 0.00 0.00 175.29 175.41 2e0g s THR 103 N 0.15 0.00 -0.42 -0.34 -1.32 -1.26 -5.11 115.64 107.34 2e0g s THR 103 Ca 0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 2e0g s THR 103 Cb -0.04 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.19 2e0g s THR 103 CO -0.01 0.00 1.01 1.67 -2.21 0.00 0.00 174.62 175.08 2e0g n GLN 104 N 0.21 0.44 -1.24 7.08 -0.06 -1.26 -5.16 117.38 117.38 2e0g n GLN 104 Ca -0.08 -1.31 -0.30 0.00 -2.00 0.00 0.00 57.00 53.31 2e0g n GLN 104 Cb 0.60 -0.86 0.11 0.00 -4.06 0.00 0.00 30.24 26.03 2e0g n GLN 104 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2e0g s PRO 105 N 0.56 1.86 -0.29 3.69 0.04 -1.26 -5.08 135.00 134.52 2e0g s PRO 105 Ca 0.29 1.02 -0.15 0.00 0.04 0.00 0.00 61.00 62.20 2e0g s PRO 105 Cb 0.18 -1.86 0.12 0.00 0.04 0.00 0.00 34.50 32.97 2e0g s PRO 105 CO -0.15 -1.88 0.81 -0.65 0.04 0.00 0.00 177.00 175.17 2e0g s GLN 106 N -4.92 0.55 0.00 4.56 -0.21 -1.26 -5.37 119.66 113.01 2e0g s GLN 106 Ca 0.62 1.02 0.00 0.00 0.02 0.00 0.00 55.36 57.02 2e0g s GLN 106 Cb -0.17 0.23 0.00 0.00 1.00 0.00 0.00 33.01 34.06 2e0g s GLN 106 CO 0.56 -0.13 0.01 0.54 -2.12 0.00 0.00 175.29 174.16