#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 -0.85 -4.40 1.04 7.94 -1.26 -5.01 117.00 114.47 2e0g n LEU 2 Ca 0.00 1.95 -0.20 0.00 -1.11 0.00 0.00 56.01 56.66 2e0g n LEU 2 Cb 0.00 -3.56 -0.10 0.00 0.53 0.00 0.00 43.42 40.28 2e0g n LEU 2 CO 0.00 -2.36 -0.29 -0.44 -1.11 0.00 0.00 177.39 173.19 2e0g s SER 3 N -6.97 2.05 0.10 1.96 0.01 -1.26 -5.04 113.70 104.56 2e0g s SER 3 Ca 0.00 -1.33 -0.35 0.00 1.31 0.00 0.00 55.95 55.58 2e0g s SER 3 Cb 0.00 -0.02 -0.15 0.00 0.21 0.00 0.00 66.02 66.05 2e0g s SER 3 CO 0.00 -0.59 1.56 -0.07 0.41 0.00 0.00 173.24 174.55 2e0g h LEU 4 N 2.26 -1.57 -0.25 2.44 4.07 -1.99 -0.98 115.31 119.29 2e0g h LEU 4 Ca -0.40 0.16 0.04 0.00 0.08 0.00 0.00 57.88 57.77 2e0g h LEU 4 Cb 1.24 0.57 -0.07 0.00 1.08 0.00 0.00 40.66 43.47 2e0g h LEU 4 CO 0.67 -0.59 -0.51 -0.25 -1.08 0.00 0.00 178.44 176.69 2e0g h TRP 5 N -0.81 -1.50 -0.68 1.13 7.01 -1.97 0.22 115.95 119.34 2e0g h TRP 5 Ca -0.02 0.07 0.14 0.00 2.11 0.00 0.00 58.89 61.18 2e0g h TRP 5 Cb 0.79 0.69 -0.13 0.00 -2.10 0.00 0.00 29.16 28.41 2e0g h TRP 5 CO -0.42 -0.50 -0.19 1.96 -2.79 0.00 0.00 178.44 176.50 2e0g h GLN 6 N -0.48 -0.02 -0.42 2.65 4.20 -1.92 0.59 115.11 119.71 2e0g h GLN 6 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 2e0g h GLN 6 Cb 0.64 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 2e0g h GLN 6 CO -0.50 -0.01 0.24 0.37 -0.67 0.00 0.00 178.83 178.27 2e0g h GLN 7 N -0.02 0.58 -0.78 1.46 4.15 -0.05 -1.24 115.11 119.22 2e0g h GLN 7 Ca 0.32 -0.06 0.14 0.00 0.77 0.00 0.00 58.65 59.82 2e0g h GLN 7 Cb 0.51 -0.12 -0.09 0.00 0.21 0.00 0.00 27.48 27.99 2e0g h GLN 7 CO -0.71 0.45 0.34 0.00 -1.93 0.00 0.00 178.83 176.98 2e0g h LEU 9 N 0.49 -0.38 -0.97 0.00 3.38 -0.92 -2.04 115.31 114.88 2e0g h LEU 9 Ca 0.42 -0.16 0.19 0.00 0.09 0.00 0.00 57.88 58.42 2e0g h LEU 9 Cb 0.63 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.37 2e0g h LEU 9 CO -0.39 0.06 0.56 0.00 0.09 0.00 0.00 178.44 178.76 2e0g h ALA 10 N -0.57 1.58 -0.47 1.53 0.00 -0.87 0.42 119.26 120.89 2e0g h ALA 10 Ca -0.05 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2e0g h ALA 10 Cb 0.52 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2e0g h ALA 10 CO 0.07 -0.09 -0.05 -0.09 0.00 0.00 0.00 179.25 179.10 2e0g h ARG 11 N 0.70 0.86 -0.02 0.00 1.12 -0.46 0.36 114.38 116.93 2e0g h ARG 11 Ca 0.56 -0.30 -0.12 0.00 -1.11 0.00 0.00 59.98 59.01 2e0g h ARG 11 Cb 0.88 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.76 2e0g h ARG 11 CO -0.40 0.93 -0.55 1.25 -3.11 0.00 0.00 179.97 178.09 2e0g h LEU 12 N 0.70 0.06 0.00 3.80 6.46 -0.26 -0.26 115.31 125.82 2e0g h LEU 12 Ca 0.13 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2e0g h LEU 12 Cb 0.57 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 2e0g h LEU 12 CO 0.03 0.60 -0.59 -0.61 -0.62 0.00 0.00 178.44 177.25 2e0g h GLN 13 N 0.04 0.00 0.13 1.25 5.75 -0.05 -3.28 115.11 118.95 2e0g h GLN 13 Ca -0.00 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.13 2e0g h GLN 13 Cb 0.99 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.53 2e0g h GLN 13 CO 0.08 0.00 -1.97 0.22 -2.65 0.00 0.00 178.83 174.51 2e0g h ASP 14 N 0.00 0.43 -0.47 -0.69 3.58 -0.05 -3.37 116.42 115.85 2e0g h ASP 14 Ca 0.00 -0.95 -0.02 0.00 0.42 0.00 0.00 57.03 56.48 2e0g h ASP 14 Cb 0.84 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2e0g h ASP 14 CO 0.00 1.85 0.24 -0.08 -2.88 0.00 0.00 179.24 178.37 2e0g h GLU 15 N 0.06 0.71 -1.26 0.28 4.81 -1.18 -3.46 114.58 114.54 2e0g h GLU 15 Ca -0.42 -0.09 0.24 0.00 -0.13 0.00 0.00 59.36 58.96 2e0g h GLU 15 Cb 2.03 -0.14 -0.23 0.00 0.63 0.00 0.00 28.75 31.04 2e0g h GLU 15 CO 0.09 0.56 0.86 -0.51 -0.73 0.00 0.00 179.01 179.28 2e0g s LEU 16 N -9.45 -0.11 -0.55 1.64 1.43 -1.24 -5.11 118.68 105.29 2e0g s LEU 16 Ca -0.09 0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 52.81 2e0g s LEU 16 Cb 0.17 1.28 -0.02 0.00 0.03 0.00 0.00 46.19 47.65 2e0g s LEU 16 CO 0.77 -0.14 1.83 -2.16 0.23 0.00 0.00 176.35 176.87 2e0g s PRO 17 N -1.64 2.80 -0.38 1.29 0.04 -1.26 -4.29 135.00 131.56 2e0g s PRO 17 Ca 0.08 0.77 0.02 0.00 0.04 0.00 0.00 61.00 61.91 2e0g s PRO 17 Cb -0.01 -4.34 0.16 0.00 0.04 0.00 0.00 34.50 30.35 2e0g s PRO 17 CO -0.05 -2.52 0.30 0.00 0.04 0.00 0.00 177.00 174.77 2e0g s ALA 18 N 8.51 0.86 -0.37 8.56 0.00 -1.26 -4.96 121.76 133.09 2e0g s ALA 18 Ca 0.69 -1.95 0.19 0.00 0.00 0.00 0.00 51.96 50.89 2e0g s ALA 18 Cb -0.14 -1.68 0.98 0.00 0.00 0.00 0.00 23.12 22.27 2e0g s ALA 18 CO 0.24 -2.06 1.58 2.41 0.00 0.00 0.00 175.76 177.92 2e0g n THR 19 N 3.54 1.13 -0.08 0.00 -1.04 -1.26 -3.32 114.28 113.26 2e0g n THR 19 Ca 0.19 0.62 -0.06 0.00 -2.04 0.00 0.00 64.05 62.76 2e0g n THR 19 Cb 0.43 -1.60 -0.05 0.00 -1.82 0.00 0.00 70.33 67.30 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 -0.16 -0.87 -2.82 4.39 -2.00 0.23 114.58 113.35 2e0g h GLU 20 Ca 0.00 0.01 0.23 0.00 0.34 0.00 0.00 59.36 59.94 2e0g h GLU 20 Cb 0.06 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 2e0g h GLU 20 CO 0.00 -0.10 0.60 0.27 -1.16 0.00 0.00 179.01 178.62 2e0g h PHE 21 N -0.16 0.24 0.00 4.33 -5.15 -1.93 0.66 116.94 114.94 2e0g h PHE 21 Ca 0.04 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.82 2e0g h PHE 21 Cb 0.26 -0.07 0.00 0.00 0.22 0.00 0.00 35.95 36.36 2e0g h PHE 21 CO -0.70 0.06 0.00 0.66 -2.00 0.00 0.00 178.31 176.33 2e0g h SER 22 N 0.18 0.00 0.00 -0.68 4.64 -0.74 -0.72 113.55 116.23 2e0g h SER 22 Ca 0.43 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.44 2e0g h SER 22 Cb 1.42 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.45 2e0g h SER 22 CO -0.09 0.00 -2.17 0.23 -0.87 0.00 0.00 176.83 173.93 2e0g n MET 23 N -2.63 1.12 -0.94 4.77 2.81 0.22 -3.35 117.12 119.13 2e0g n MET 23 Ca -0.01 0.01 -0.07 0.00 -1.81 0.00 0.00 57.70 55.82 2e0g n MET 23 Cb 0.13 -1.43 0.26 0.00 -0.71 0.00 0.00 33.22 31.47 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 -2.71 2.27 0.00 2.03 7.02 -0.66 -4.27 117.44 121.12 2e0g n TRP 24 Ca -0.29 -1.15 0.00 0.00 -1.02 0.00 0.00 57.50 55.03 2e0g n TRP 24 Cb 1.03 -0.66 0.00 0.00 -2.42 0.00 0.00 31.31 29.25 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 -0.18 0.00 -0.01 -0.99 2.08 -0.32 -4.78 119.36 115.15 2e0g n ILE 25 Ca 0.38 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.60 2e0g n ILE 25 Cb 1.31 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 40.14 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 -0.34 0.00 0.38 3.08 -1.69 -0.89 114.38 114.91 2e0g h ARG 26 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2e0g h ARG 26 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2e0g h ARG 26 CO 0.00 -0.23 0.00 -1.00 -1.07 0.00 0.00 179.97 177.67 2e0g h PRO 27 N -0.35 0.00 -7.36 0.04 0.13 -1.86 -3.45 132.00 119.16 2e0g h PRO 27 Ca 0.02 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.68 2e0g h PRO 27 Cb 0.41 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.69 2e0g h PRO 27 CO -0.27 0.00 0.23 -0.51 -0.23 0.00 0.00 178.00 177.22 2e0g s LEU 28 N -4.77 2.00 -0.26 1.56 2.01 -0.34 -4.95 118.68 113.93 2e0g s LEU 28 Ca 0.04 1.33 0.00 0.00 0.01 0.00 0.00 54.13 55.51 2e0g s LEU 28 Cb 0.09 -3.67 0.07 0.00 0.01 0.00 0.00 46.19 42.70 2e0g s LEU 28 CO 0.41 -2.80 0.00 -1.58 1.01 0.00 0.00 176.35 173.39 2e0g s GLN 29 N -4.97 1.29 -0.13 1.70 2.00 -0.48 -4.91 119.66 114.16 2e0g s GLN 29 Ca 0.64 -1.03 -0.06 0.00 -2.00 0.00 0.00 55.36 52.91 2e0g s GLN 29 Cb -0.18 -2.48 -0.04 0.00 0.80 0.00 0.00 33.01 31.12 2e0g s GLN 29 CO 0.57 -0.72 0.11 0.00 -0.50 0.00 0.00 175.29 174.75 2e0g s ALA 30 N 1.45 3.71 -0.03 1.58 0.00 -1.26 0.96 121.76 128.17 2e0g s ALA 30 Ca -0.00 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.29 2e0g s ALA 30 Cb -0.18 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.04 2e0g s ALA 30 CO -0.10 0.52 -0.08 -2.00 0.00 0.00 0.00 175.76 174.10 2e0g s GLU 31 N -0.72 0.91 0.17 0.00 2.12 0.13 -4.96 118.70 116.36 2e0g s GLU 31 Ca 0.13 -0.25 -0.24 0.00 0.36 0.00 0.00 54.97 54.97 2e0g s GLU 31 Cb -0.12 -0.86 -0.08 0.00 0.26 0.00 0.00 34.13 33.34 2e0g s GLU 31 CO 0.03 0.06 0.76 -1.17 -0.54 0.00 0.00 175.26 174.39 2e0g s LEU 32 N 0.36 4.55 -0.21 2.70 0.20 -1.26 -1.36 118.68 123.66 2e0g s LEU 32 Ca -0.05 1.59 0.14 0.00 0.69 0.00 0.00 54.13 56.50 2e0g s LEU 32 Cb -0.10 -3.32 0.44 0.00 -0.43 0.00 0.00 46.19 42.79 2e0g s LEU 32 CO 0.01 0.19 1.33 -1.20 -0.29 0.00 0.00 176.35 176.38 2e0g n SER 33 N 1.46 2.67 0.00 3.68 7.64 0.12 -4.92 113.62 124.28 2e0g n SER 33 Ca -0.05 -3.42 0.00 0.00 1.01 0.00 0.00 58.87 56.40 2e0g n SER 33 Cb 0.49 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 2e0g n SER 33 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2e0g n ASP 34 N -1.05 0.00 -0.10 6.43 2.03 -1.26 -4.33 116.55 118.28 2e0g n ASP 34 Ca 0.23 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.54 2e0g n ASP 34 Cb 0.83 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.14 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 -3.62 1.67 4.13 -1.26 -4.98 115.26 111.20 2e0g n ASN 35 Ca 0.00 -0.24 -0.03 0.00 1.68 0.00 0.00 54.58 55.99 2e0g n ASN 35 Cb 0.00 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 2e0g n ASN 35 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2e0g s THR 36 N 0.00 -0.47 -0.47 3.41 2.01 -1.26 -1.75 115.64 117.11 2e0g s THR 36 Ca 0.00 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 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 0.37 -0.22 -0.69 0.00 0.00 174.62 174.08 2e0g s LEU 37 N 2.23 5.60 -0.12 4.42 2.96 0.82 0.14 118.68 134.72 2e0g s LEU 37 Ca -0.07 -1.54 -0.11 0.00 -0.22 0.00 0.00 54.13 52.19 2e0g s LEU 37 Cb -0.08 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 2e0g s LEU 37 CO -0.19 -0.66 0.24 0.00 -1.32 0.00 0.00 176.35 174.43 2e0g s ALA 38 N 1.53 3.73 0.01 5.97 0.00 -0.47 -0.02 121.76 132.51 2e0g s ALA 38 Ca 0.04 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.54 2e0g s ALA 38 Cb -0.25 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 2e0g s ALA 38 CO 0.04 0.37 -0.08 -0.51 0.00 0.00 0.00 175.76 175.57 2e0g s LEU 39 N -0.40 3.10 -0.19 0.00 1.02 0.12 0.22 118.68 122.56 2e0g s LEU 39 Ca 0.16 -0.19 -0.01 0.00 0.02 0.00 0.00 54.13 54.12 2e0g s LEU 39 Cb -0.13 -1.79 0.00 0.00 0.02 0.00 0.00 46.19 44.30 2e0g s LEU 39 CO 0.05 0.28 -0.13 -0.31 0.02 0.00 0.00 176.35 176.26 2e0g s TYR 40 N -1.00 2.85 0.29 0.29 2.02 0.27 -0.48 117.35 121.59 2e0g s TYR 40 Ca 0.17 -1.20 0.09 0.00 -0.37 0.00 0.00 57.07 55.76 2e0g s TYR 40 Cb -0.11 -1.98 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 2e0g s TYR 40 CO 0.08 -0.61 0.02 0.00 -1.57 0.00 0.00 175.55 173.47 2e0g s ALA 41 N 1.21 3.22 -0.94 3.71 0.00 -0.01 -1.38 121.76 127.57 2e0g s ALA 41 Ca 0.02 -1.73 0.15 0.00 0.00 0.00 0.00 51.96 50.40 2e0g s ALA 41 Cb -0.14 -0.70 0.64 0.00 0.00 0.00 0.00 23.12 22.92 2e0g s ALA 41 CO -0.06 0.20 1.48 -0.35 0.00 0.00 0.00 175.76 177.03 2e0g n PRO 42 N -0.95 0.02 -3.47 0.00 -0.04 -1.26 0.31 135.00 129.61 2e0g n PRO 42 Ca -0.05 0.28 -0.10 0.00 -0.04 0.00 0.00 63.50 63.58 2e0g n PRO 42 Cb 0.60 -1.54 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 2e0g n PRO 42 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2e0g s ASN 43 N -3.13 -0.45 0.52 3.54 6.03 -1.26 -4.86 114.94 115.32 2e0g s ASN 43 Ca 0.06 -0.01 0.25 0.00 -1.03 0.00 0.00 52.86 52.14 2e0g s ASN 43 Cb 0.09 0.48 1.41 0.00 -3.03 0.00 0.00 41.25 40.21 2e0g s ASN 43 CO 0.27 -0.78 2.09 -0.09 -2.03 0.00 0.00 177.10 176.56 2e0g h ARG 44 N 2.00 0.00 -0.04 3.55 9.65 -1.93 -3.03 114.38 124.59 2e0g h ARG 44 Ca -0.27 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.64 2e0g h ARG 44 Cb 1.27 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.79 2e0g h ARG 44 CO 0.34 0.11 -0.38 0.74 2.80 0.00 0.00 179.97 183.58 2e0g h PHE 45 N 0.00 -1.06 -0.43 2.20 -1.00 -1.98 -1.73 116.94 112.94 2e0g h PHE 45 Ca -0.00 0.04 0.07 0.00 2.81 0.00 0.00 57.97 60.88 2e0g h PHE 45 Cb 0.27 0.47 -0.06 0.00 3.61 0.00 0.00 35.95 40.24 2e0g h PHE 45 CO 0.00 -0.46 0.08 0.28 -1.61 0.00 0.00 178.31 176.61 2e0g h VAL 46 N -0.51 0.77 -0.20 -0.55 2.07 -1.95 -1.99 116.25 113.89 2e0g h VAL 46 Ca 0.06 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2e0g h VAL 46 Cb 0.61 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 2e0g h VAL 46 CO -0.32 0.04 -0.45 -0.07 0.02 0.00 0.00 177.57 176.79 2e0g h LEU 47 N 0.22 -1.44 -0.44 2.57 3.38 -1.46 0.40 115.31 118.54 2e0g h LEU 47 Ca 0.21 0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.45 2e0g h LEU 47 Cb 0.26 0.59 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 2e0g h LEU 47 CO -0.28 -0.42 0.01 -0.78 0.09 0.00 0.00 178.44 177.06 2e0g h ASP 48 N -0.47 -0.17 0.42 -0.43 1.82 -1.00 0.16 116.42 116.76 2e0g h ASP 48 Ca 0.08 0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.81 2e0g h ASP 48 Cb 0.63 0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.81 2e0g h ASP 48 CO -0.45 -0.05 -0.26 -0.25 -1.61 0.00 0.00 179.24 176.62 2e0g h TRP 49 N 0.12 -0.69 -0.51 0.28 2.91 -0.56 -1.59 115.95 115.90 2e0g h TRP 49 Ca 0.22 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.31 2e0g h TRP 49 Cb 0.31 0.25 -0.06 0.00 -0.51 0.00 0.00 29.16 29.15 2e0g h TRP 49 CO -0.28 -0.41 0.16 0.28 -1.03 0.00 0.00 178.44 177.16 2e0g h VAL 50 N -0.66 0.79 0.00 2.65 2.07 0.17 0.21 116.25 121.48 2e0g h VAL 50 Ca -0.05 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2e0g h VAL 50 Cb 0.54 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2e0g h VAL 50 CO 0.04 0.06 0.00 -1.14 0.02 0.00 0.00 177.57 176.55 2e0g n ARG 51 N -5.04 0.12 -0.03 1.57 0.00 0.54 -0.10 116.66 113.72 2e0g n ARG 51 Ca 0.06 0.49 -0.11 0.00 -0.00 0.00 0.00 57.85 58.29 2e0g n ARG 51 Cb 0.22 -1.80 -0.09 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 -0.04 0.00 6.15 1.82 0.44 -3.36 116.42 121.43 2e0g h ASP 52 Ca 0.00 -0.63 0.00 0.00 -0.39 0.00 0.00 57.03 56.01 2e0g h ASP 52 Cb 0.16 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.18 2e0g h ASP 52 CO 0.00 0.72 -0.73 2.29 -1.61 0.00 0.00 179.24 179.90 2e0g n LYS 53 N -4.74 0.39 -0.38 0.28 0.00 -1.08 -4.39 118.16 108.25 2e0g n LYS 53 Ca -0.08 0.15 -0.01 0.00 -0.00 0.00 0.00 58.31 58.37 2e0g n LYS 53 Cb 0.32 -1.17 0.04 0.00 -0.00 0.00 0.00 35.03 34.22 2e0g n LYS 53 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 2e0g h TYR 54 N -0.73 -1.11 -0.17 5.58 3.20 -0.74 -1.20 116.97 121.78 2e0g h TYR 54 Ca 0.00 0.11 0.02 0.00 3.14 0.00 0.00 58.73 62.00 2e0g h TYR 54 Cb 0.73 0.63 -0.03 0.00 1.54 0.00 0.00 36.73 39.60 2e0g h TYR 54 CO -0.32 -0.40 -0.19 1.25 -1.64 0.00 0.00 178.16 176.86 2e0g h LEU 55 N -0.00 -0.64 -0.98 2.82 5.85 -1.54 0.30 115.31 121.11 2e0g h LEU 55 Ca 0.34 0.09 0.19 0.00 0.84 0.00 0.00 57.88 59.34 2e0g h LEU 55 Cb 0.59 0.27 -0.18 0.00 0.37 0.00 0.00 40.66 41.70 2e0g h LEU 55 CO -0.98 -0.12 -0.26 -1.13 -0.34 0.00 0.00 178.44 175.61 2e0g h ASN 56 N -0.11 -0.95 0.93 1.25 -1.24 -1.44 0.44 115.58 114.46 2e0g h ASN 56 Ca 0.03 0.30 -0.05 0.00 0.71 0.00 0.00 56.30 57.29 2e0g h ASN 56 Cb 0.19 0.62 0.01 0.00 0.73 0.00 0.00 38.32 39.87 2e0g h ASN 56 CO -0.22 -0.32 -0.45 0.78 -1.29 0.00 0.00 177.43 175.93 2e0g h ASN 57 N -0.00 -1.06 -0.16 1.15 2.35 -0.67 -1.87 115.58 115.32 2e0g h ASN 57 Ca 0.46 0.04 0.05 0.00 -0.55 0.00 0.00 56.30 56.29 2e0g h ASN 57 Cb 0.71 0.27 -0.07 0.00 0.05 0.00 0.00 38.32 39.28 2e0g h ASN 57 CO -1.01 -0.75 -0.42 0.40 -1.65 0.00 0.00 177.43 174.01 2e0g h ILE 58 N -1.28 0.15 -0.47 2.81 1.08 0.11 -1.63 117.51 118.28 2e0g h ILE 58 Ca -0.13 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.41 2e0g h ILE 58 Cb 0.96 0.15 -0.09 0.00 -3.07 0.00 0.00 36.82 34.77 2e0g h ILE 58 CO 0.21 0.00 -0.45 0.78 -0.69 0.00 0.00 178.15 178.00 2e0g h ASN 59 N -0.47 -1.52 -0.95 1.72 -0.26 -0.21 0.23 115.58 114.11 2e0g h ASN 59 Ca 0.08 0.23 0.20 0.00 -0.56 0.00 0.00 56.30 56.26 2e0g h ASN 59 Cb 0.62 0.67 -0.08 0.00 -1.06 0.00 0.00 38.32 38.46 2e0g h ASN 59 CO -0.42 -0.36 0.61 1.23 -1.06 0.00 0.00 177.43 177.43 2e0g h GLY 60 N -0.30 1.22 0.46 2.83 0.00 -0.81 -1.72 103.07 104.75 2e0g h GLY 60 Ca 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 2e0g h GLY 60 CO -0.62 -0.03 -0.02 -2.00 0.00 0.00 0.00 176.54 173.88 2e0g h LEU 61 N 0.54 -0.05 -0.50 3.11 6.46 0.26 -1.88 115.31 123.25 2e0g h LEU 61 Ca 0.52 -0.49 0.10 0.00 -0.12 0.00 0.00 57.88 57.89 2e0g h LEU 61 Cb 1.09 0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 40.93 2e0g h LEU 61 CO -0.25 0.48 -0.18 -0.07 -0.62 0.00 0.00 178.44 177.79 2e0g h LEU 62 N -0.59 -0.65 -0.20 2.25 3.38 0.06 0.80 115.31 120.35 2e0g h LEU 62 Ca -0.01 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2e0g h LEU 62 Cb 0.53 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2e0g h LEU 62 CO 0.01 -0.22 0.08 0.74 0.09 0.00 0.00 178.44 179.14 2e0g h THR 63 N -0.07 1.17 0.00 0.22 2.02 -1.42 -1.40 112.91 113.43 2e0g h THR 63 Ca 0.24 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 2e0g h THR 63 Cb 0.44 1.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2e0g h THR 63 CO -0.55 0.17 -0.02 0.28 0.37 0.00 0.00 175.52 175.76 2e0g h SER 64 N 0.16 0.00 0.09 4.18 0.02 -0.43 0.19 113.55 117.76 2e0g h SER 64 Ca 0.07 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 2e0g h SER 64 Cb 0.19 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.75 2e0g h SER 64 CO -0.00 0.02 -0.54 0.15 -1.14 0.00 0.00 176.83 175.32 2e0g h PHE 65 N 0.00 0.37 0.00 3.45 3.57 0.12 -3.45 116.94 120.99 2e0g h PHE 65 Ca -0.00 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.24 2e0g h PHE 65 Cb 0.31 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2e0g h PHE 65 CO 0.00 1.20 -0.22 0.00 -2.23 0.00 0.00 178.31 177.05 2e0g n GLY 67 N 1.85 -1.29 3.40 0.00 0.00 0.66 -4.62 105.19 105.18 2e0g n GLY 67 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 0.21 0.00 -0.01 4.61 0.00 -1.26 -4.69 120.51 119.37 2e0g n ALA 68 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2e0g n ALA 68 Cb 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 19.45 19.16 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 3.69 -4.72 0.00 -0.08 -1.26 -5.04 116.55 109.14 2e0g n ASP 69 Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 2e0g n ASP 69 Cb 0.00 1.14 0.14 0.00 2.34 0.00 0.00 41.12 44.74 2e0g n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2e0g s ALA 70 N -2.35 1.58 1.10 -1.67 0.00 -1.26 -5.01 121.76 114.14 2e0g s ALA 70 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 51.96 51.79 2e0g s ALA 70 Cb 0.03 -3.21 0.24 0.00 0.00 0.00 0.00 23.12 20.17 2e0g s ALA 70 CO 0.23 -2.34 1.10 -1.25 0.00 0.00 0.00 175.76 173.51 2e0g s PRO 71 N -4.90 -0.37 0.47 0.00 0.04 -1.26 -4.99 135.00 123.99 2e0g s PRO 71 Ca 0.63 0.24 0.06 0.00 0.04 0.00 0.00 61.00 61.97 2e0g s PRO 71 Cb -0.18 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 2e0g s PRO 71 CO 0.57 -3.21 0.24 1.14 0.04 0.00 0.00 177.00 175.78 2e0g s GLN 72 N -5.16 2.25 -0.08 4.56 -2.07 -0.72 -4.89 119.66 113.56 2e0g s GLN 72 Ca 0.68 -1.97 -0.01 0.00 -1.82 0.00 0.00 55.36 52.24 2e0g s GLN 72 Cb -0.15 -1.97 -0.03 0.00 -1.09 0.00 0.00 33.01 29.77 2e0g s GLN 72 CO 0.57 -0.32 -0.03 -1.17 -1.32 0.00 0.00 175.29 173.02 2e0g s LEU 73 N -4.04 3.38 0.10 2.60 0.20 -1.26 -0.13 118.68 119.53 2e0g s LEU 73 Ca 0.34 0.06 0.05 0.00 0.69 0.00 0.00 54.13 55.26 2e0g s LEU 73 Cb 0.01 -1.76 -0.03 0.00 -0.43 0.00 0.00 46.19 43.98 2e0g s LEU 73 CO 0.19 0.37 -0.12 -0.13 -0.29 0.00 0.00 176.35 176.37 2e0g s ARG 74 N -0.82 0.88 0.01 1.98 0.52 0.97 -4.89 118.95 117.60 2e0g s ARG 74 Ca 0.12 -1.11 -0.01 0.00 -0.52 0.00 0.00 55.73 54.21 2e0g s ARG 74 Cb -0.11 -0.70 -0.01 0.00 0.52 0.00 0.00 34.95 34.64 2e0g s ARG 74 CO 0.02 0.13 -0.01 -0.06 0.02 0.00 0.00 175.30 175.41 2e0g s PHE 75 N -2.01 0.18 0.18 -0.53 0.08 -1.26 0.16 117.98 114.77 2e0g s PHE 75 Ca 0.04 -0.36 -0.23 0.00 0.12 0.00 0.00 56.93 56.49 2e0g s PHE 75 Cb -0.06 -0.13 0.05 0.00 -0.57 0.00 0.00 43.02 42.32 2e0g s PHE 75 CO 0.01 -0.16 0.75 -2.00 -0.10 0.00 0.00 175.22 173.73 2e0g s GLU 76 N -1.11 1.40 -0.47 0.44 2.12 0.37 -4.87 118.70 116.58 2e0g s GLU 76 Ca -0.12 -0.68 -0.18 0.00 0.36 0.00 0.00 54.97 54.35 2e0g s GLU 76 Cb -0.07 0.54 0.05 0.00 0.26 0.00 0.00 34.13 34.90 2e0g s GLU 76 CO -0.01 -0.63 0.51 0.08 -0.54 0.00 0.00 175.26 174.67 2e0g s VAL 77 N -3.65 5.03 0.00 3.70 1.01 -1.26 -0.83 120.40 124.41 2e0g s VAL 77 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2e0g s VAL 77 Cb -0.03 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2e0g s VAL 77 CO -0.02 -0.63 0.00 0.61 0.00 0.00 0.00 175.10 175.06 2e0g n GLY 78 N 5.16 1.20 3.80 4.51 0.00 0.15 -4.58 105.19 115.43 2e0g n GLY 78 Ca -0.08 0.56 -0.27 0.00 0.00 0.00 0.00 46.02 46.23 2e0g n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2e0g s THR 79 N 0.00 1.86 0.74 2.61 -1.32 -1.26 -4.78 115.64 113.48 2e0g s THR 79 Ca 0.00 -1.68 -0.11 0.00 -1.21 0.00 0.00 61.69 58.68 2e0g s THR 79 Cb 0.00 -2.54 0.04 0.00 -1.51 0.00 0.00 72.50 68.49 2e0g s THR 79 CO 0.00 0.00 1.09 -0.54 -2.21 0.00 0.00 174.62 172.96 2e0g s LYS 80 N -4.03 2.46 0.99 7.08 1.02 -1.26 -5.03 119.74 120.97 2e0g s LYS 80 Ca 0.31 1.18 -0.12 0.00 0.02 0.00 0.00 55.97 57.36 2e0g s LYS 80 Cb 0.01 -1.92 0.18 0.00 -0.52 0.00 0.00 37.83 35.58 2e0g s LYS 80 CO 0.18 -1.49 1.09 -1.25 -0.92 0.00 0.00 175.35 172.97 2e0g s PRO 81 N -4.76 0.50 0.06 -1.68 0.04 -1.26 -5.08 135.00 122.82 2e0g s PRO 81 Ca 0.62 0.55 0.04 0.00 0.04 0.00 0.00 61.00 62.25 2e0g s PRO 81 Cb -0.17 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2e0g s PRO 81 CO 0.53 -2.69 -0.12 0.08 0.04 0.00 0.00 177.00 174.84 2e0g s VAL 82 N -2.96 0.93 -0.09 -0.36 1.01 -1.26 -5.01 120.40 112.66 2e0g s VAL 82 Ca 0.65 -1.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 2e0g s VAL 82 Cb -0.18 -0.92 0.03 0.00 0.00 0.00 0.00 36.38 35.30 2e0g s VAL 82 CO 0.57 -0.25 0.13 0.41 0.00 0.00 0.00 175.10 175.96 2e0g n THR 83 N 1.39-11.30 -3.15 3.92 -1.04 -1.26 -5.08 114.28 97.76 2e0g n THR 83 Ca -0.21 2.43 0.05 0.00 -2.04 0.00 0.00 64.05 64.28 2e0g n THR 83 Cb 0.54 -5.85 -0.01 0.00 -1.82 0.00 0.00 70.33 63.19 2e0g n THR 83 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2e0g s GLN 84 N -0.79 0.23 -0.31 -2.82 0.74 -1.26 -5.10 119.66 110.36 2e0g s GLN 84 Ca -0.15 0.34 -0.05 0.00 0.05 0.00 0.00 55.36 55.55 2e0g s GLN 84 Cb 0.01 0.18 0.26 0.00 1.10 0.00 0.00 33.01 34.56 2e0g s GLN 84 CO 0.41 -0.32 1.23 -2.37 -0.55 0.00 0.00 175.29 173.69 2e0g n THR 85 N 5.36 0.00 -1.10 -0.34 5.66 -1.26 -5.17 114.28 117.42 2e0g n THR 85 Ca -0.01 -0.39 -0.30 0.00 -3.05 0.00 0.00 64.05 60.31 2e0g n THR 85 Cb 0.55 0.85 0.22 0.00 -1.55 0.00 0.00 70.33 70.40 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 0.38 -0.78 0.22 1.09 0.04 -1.26 -5.07 135.00 129.62 2e0g s PRO 86 Ca 0.24 0.09 0.09 0.00 0.04 0.00 0.00 61.00 61.47 2e0g s PRO 86 Cb 0.18 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 33.05 2e0g s PRO 86 CO -0.08 -3.45 -0.04 1.14 0.04 0.00 0.00 177.00 174.60 2e0g s GLN 87 N -5.28 2.21 -0.30 4.56 -2.07 -1.26 -5.13 119.66 112.40 2e0g s GLN 87 Ca 0.69 -1.31 -0.24 0.00 -1.82 0.00 0.00 55.36 52.68 2e0g s GLN 87 Cb -0.12 -2.19 0.19 0.00 -1.09 0.00 0.00 33.01 29.80 2e0g s GLN 87 CO 0.57 0.41 1.41 0.00 -1.32 0.00 0.00 175.29 176.35 2e0g s ALA 88 N -1.98 -2.26 0.02 2.60 0.00 -1.26 -5.19 121.76 113.69 2e0g s ALA 88 Ca 0.28 1.71 -0.28 0.00 0.00 0.00 0.00 51.96 53.68 2e0g s ALA 88 Cb -0.08 -1.79 0.09 0.00 0.00 0.00 0.00 23.12 21.34 2e0g s ALA 88 CO 0.18 -0.12 0.81 0.00 0.00 0.00 0.00 175.76 176.62 2e0g s ALA 89 N 0.14 -1.77 -0.02 0.00 0.00 -1.26 -5.18 121.76 113.66 2e0g s ALA 89 Ca 0.06 0.94 -0.10 0.00 0.00 0.00 0.00 51.96 52.86 2e0g s ALA 89 Cb -0.05 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.51 2e0g s ALA 89 CO -0.15 -0.66 0.21 0.08 0.00 0.00 0.00 175.76 175.24 2e0g s VAL 90 N -3.02 0.06 0.19 0.00 1.01 -1.26 -5.17 120.40 112.21 2e0g s VAL 90 Ca 0.03 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.63 2e0g s VAL 90 Cb -0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2e0g s VAL 90 CO -0.08 -0.25 -0.08 0.28 0.00 0.00 0.00 175.10 174.96 2e0g s THR 91 N -1.00 3.26 -0.15 3.92 -1.32 -1.26 -5.13 115.64 113.95 2e0g s THR 91 Ca -0.11 -1.67 -0.35 0.00 -1.21 0.00 0.00 61.69 58.36 2e0g s THR 91 Cb -0.05 -2.63 0.15 0.00 -1.51 0.00 0.00 72.50 68.45 2e0g s THR 91 CO 0.02 -0.14 1.37 -0.94 -2.21 0.00 0.00 174.62 172.72 2e0g s SER 92 N -2.92 -0.03 -0.29 8.08 1.04 -1.26 -5.18 113.70 113.14 2e0g s SER 92 Ca 0.26 -0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.49 2e0g s SER 92 Cb -0.09 0.05 0.16 0.00 0.10 0.00 0.00 66.02 66.25 2e0g s SER 92 CO 0.16 -0.09 1.06 0.54 0.98 0.00 0.00 173.24 175.89 2e0g s ASN 93 N -2.60 -0.38 0.03 7.02 2.20 -1.26 -5.18 114.94 114.77 2e0g s ASN 93 Ca 0.13 0.62 0.01 0.00 -0.94 0.00 0.00 52.86 52.69 2e0g s ASN 93 Cb 0.04 1.11 -0.02 0.00 -2.00 0.00 0.00 41.25 40.37 2e0g s ASN 93 CO -0.05 -0.10 -0.05 0.54 -2.94 0.00 0.00 177.10 174.50 2e0g s VAL 94 N 1.16 0.34 0.01 3.54 0.11 -1.26 -5.16 120.40 119.14 2e0g s VAL 94 Ca -0.08 -0.99 -0.08 0.00 -2.93 0.00 0.00 61.98 57.91 2e0g s VAL 94 Cb -0.03 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 2e0g s VAL 94 CO -0.13 -0.43 0.16 0.00 -3.33 0.00 0.00 175.10 171.37 2e0g s ALA 95 N -1.40 -0.34 -0.33 1.54 0.00 -1.26 -5.10 121.76 114.88 2e0g s ALA 95 Ca -0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.63 2e0g s ALA 95 Cb -0.10 0.15 0.26 0.00 0.00 0.00 0.00 23.12 23.44 2e0g s ALA 95 CO -0.00 -0.25 1.22 0.00 0.00 0.00 0.00 175.76 176.73 2e0g n ALA 96 N 1.23 -3.68 -1.23 0.00 0.00 -1.26 -5.17 120.51 110.40 2e0g n ALA 96 Ca -0.22 -0.20 -0.30 0.00 0.00 0.00 0.00 53.44 52.72 2e0g n ALA 96 Cb 0.56 -3.31 0.12 0.00 0.00 0.00 0.00 19.45 16.83 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 0.27 1.66 0.14 0.00 0.04 -1.26 -5.08 135.00 130.78 2e0g s PRO 97 Ca 0.25 0.96 -0.22 0.00 0.04 0.00 0.00 61.00 62.03 2e0g s PRO 97 Cb 0.19 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.95 2e0g s PRO 97 CO -0.08 -2.00 0.57 0.00 0.04 0.00 0.00 177.00 175.52 2e0g s ALA 98 N -2.92 -1.48 -0.07 8.56 0.00 -1.26 -5.18 121.76 119.40 2e0g s ALA 98 Ca 0.62 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.73 2e0g s ALA 98 Cb -0.18 0.79 0.11 0.00 0.00 0.00 0.00 23.12 23.84 2e0g s ALA 98 CO 0.57 -0.72 0.92 1.14 0.00 0.00 0.00 175.76 177.67 2e0g s GLN 99 N -3.57 0.74 -0.24 0.00 1.03 -1.26 -5.18 119.66 111.17 2e0g s GLN 99 Ca 0.00 -0.09 -0.29 0.00 0.04 0.00 0.00 55.36 55.02 2e0g s GLN 99 Cb -0.00 0.34 0.17 0.00 0.03 0.00 0.00 33.01 33.54 2e0g s GLN 99 CO -0.11 -0.29 1.22 0.54 -2.54 0.00 0.00 175.29 174.11 2e0g s VAL 100 N -2.21 0.00 0.33 3.63 0.11 -1.26 -5.19 120.40 115.81 2e0g s VAL 100 Ca 0.01 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.04 2e0g s VAL 100 Cb -0.01 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.84 2e0g s VAL 100 CO -0.04 0.00 0.44 0.00 -3.33 0.00 0.00 175.10 172.18 2e0g s ALA 101 N -0.97 0.80 -0.20 1.54 0.00 -1.26 -5.18 121.76 116.48 2e0g s ALA 101 Ca 0.05 -1.52 -0.33 0.00 0.00 0.00 0.00 51.96 50.15 2e0g s ALA 101 Cb -0.01 1.19 0.15 0.00 0.00 0.00 0.00 23.12 24.44 2e0g s ALA 101 CO -0.05 -0.78 1.20 -0.65 0.00 0.00 0.00 175.76 175.49 2e0g s GLN 102 N -3.20 0.30 0.20 0.00 -0.21 -1.26 -5.19 119.66 110.30 2e0g s GLN 102 Ca 0.31 -0.05 -0.14 0.00 0.02 0.00 0.00 55.36 55.50 2e0g s GLN 102 Cb 0.00 0.14 0.01 0.00 1.00 0.00 0.00 33.01 34.16 2e0g s GLN 102 CO 0.20 -0.12 0.44 -0.08 -2.12 0.00 0.00 175.29 173.60 2e0g s THR 103 N -1.95 0.03 -0.02 -0.19 -1.32 -1.26 -5.17 115.64 105.76 2e0g s THR 103 Ca 0.08 -1.14 0.03 0.00 -1.21 0.00 0.00 61.69 59.44 2e0g s THR 103 Cb -0.01 -1.83 -0.00 0.00 -1.51 0.00 0.00 72.50 69.15 2e0g s THR 103 CO -0.05 -0.14 -0.10 -1.58 -2.21 0.00 0.00 174.62 170.54 2e0g s GLN 104 N -3.94 0.94 0.94 7.08 0.74 -1.26 -5.15 119.66 119.01 2e0g s GLN 104 Ca 0.15 -0.34 -0.12 0.00 0.05 0.00 0.00 55.36 55.10 2e0g s GLN 104 Cb 0.00 -0.89 0.16 0.00 1.10 0.00 0.00 33.01 33.38 2e0g s GLN 104 CO 0.01 0.16 1.09 -1.25 -0.55 0.00 0.00 175.29 174.76 2e0g s PRO 105 N 0.02 0.88 0.54 1.67 0.04 -1.26 -5.08 135.00 131.81 2e0g s PRO 105 Ca -0.00 0.69 0.07 0.00 0.04 0.00 0.00 61.00 61.79 2e0g s PRO 105 Cb -0.07 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.74 2e0g s PRO 105 CO 0.00 -2.46 0.49 -0.65 0.04 0.00 0.00 177.00 174.42 2e0g s GLN 106 N -4.95 2.29 0.00 4.56 -0.21 -1.26 -5.38 119.66 114.72 2e0g s GLN 106 Ca 0.64 -1.88 0.27 0.00 0.02 0.00 0.00 55.36 54.41 2e0g s GLN 106 Cb -0.18 -2.25 1.60 0.00 1.00 0.00 0.00 33.01 33.18 2e0g s GLN 106 CO 0.57 -0.63 1.95 -2.13 -2.12 0.00 0.00 175.29 172.94