#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 -0.07 -4.47 -3.43 4.32 -1.26 -5.13 117.00 106.95 2e0g n LEU 2 Ca 0.00 0.10 -0.28 0.00 -0.02 0.00 0.00 56.01 55.81 2e0g n LEU 2 Cb 0.00 0.13 -0.11 0.00 -1.62 0.00 0.00 43.42 41.82 2e0g n LEU 2 CO 0.00 -0.55 -0.50 -0.94 -1.22 0.00 0.00 177.39 174.18 2e0g s SER 3 N -4.07 3.77 0.10 -1.43 1.04 -1.26 -5.05 113.70 106.80 2e0g s SER 3 Ca 0.00 -0.65 -0.34 0.00 0.48 0.00 0.00 55.95 55.44 2e0g s SER 3 Cb 0.00 -0.47 -0.15 0.00 0.10 0.00 0.00 66.02 65.50 2e0g s SER 3 CO 0.00 0.16 1.54 -0.07 0.98 0.00 0.00 173.24 175.85 2e0g h LEU 4 N 3.53 -1.51 -0.20 2.42 3.38 -2.00 -1.14 115.31 119.79 2e0g h LEU 4 Ca -0.49 0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.66 2e0g h LEU 4 Cb 1.18 0.54 -0.05 0.00 0.09 0.00 0.00 40.66 42.42 2e0g h LEU 4 CO 0.46 -0.58 -0.36 -0.25 0.09 0.00 0.00 178.44 177.81 2e0g h TRP 5 N -0.81 -1.08 -0.83 1.13 7.01 -1.98 0.27 115.95 119.66 2e0g h TRP 5 Ca -0.02 0.05 0.15 0.00 2.11 0.00 0.00 58.89 61.18 2e0g h TRP 5 Cb 0.77 0.50 -0.15 0.00 -2.10 0.00 0.00 29.16 28.18 2e0g h TRP 5 CO -0.40 -0.33 -0.28 1.96 -2.79 0.00 0.00 178.44 176.60 2e0g h GLN 6 N -0.30 -0.03 -0.28 2.65 1.08 -1.96 0.20 115.11 116.47 2e0g h GLN 6 Ca 0.04 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.25 2e0g h GLN 6 Cb 0.40 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 2e0g h GLN 6 CO -0.34 -0.02 0.16 0.37 -0.95 0.00 0.00 178.83 178.05 2e0g h GLN 7 N -0.04 0.33 -0.87 1.46 4.15 -0.21 -1.24 115.11 118.70 2e0g h GLN 7 Ca 0.36 -0.02 0.16 0.00 0.77 0.00 0.00 58.65 59.92 2e0g h GLN 7 Cb 0.60 -0.07 -0.10 0.00 0.21 0.00 0.00 27.48 28.12 2e0g h GLN 7 CO -0.86 0.22 0.44 0.00 -1.93 0.00 0.00 178.83 176.70 2e0g h LEU 9 N 0.60 -0.53 -0.89 0.00 3.38 -0.70 -1.79 115.31 115.38 2e0g h LEU 9 Ca 0.48 -0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.56 2e0g h LEU 9 Cb 0.73 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.51 2e0g h LEU 9 CO -0.39 -0.12 0.46 0.00 0.09 0.00 0.00 178.44 178.49 2e0g h ALA 10 N -0.88 1.39 -0.67 1.53 0.00 -0.86 0.37 119.26 120.14 2e0g h ALA 10 Ca -0.06 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2e0g h ALA 10 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2e0g h ALA 10 CO 0.11 -0.13 0.11 -0.09 0.00 0.00 0.00 179.25 179.24 2e0g h ARG 11 N 0.61 1.11 -0.25 0.00 1.12 -0.49 0.27 114.38 116.75 2e0g h ARG 11 Ca 0.51 -0.30 -0.17 0.00 -1.11 0.00 0.00 59.98 58.91 2e0g h ARG 11 Cb 0.78 -0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 30.61 2e0g h ARG 11 CO -0.40 1.01 -0.52 1.25 -3.11 0.00 0.00 179.97 178.21 2e0g h LEU 12 N 1.03 0.79 -0.17 3.80 6.46 -0.06 0.27 115.31 127.43 2e0g h LEU 12 Ca 0.20 -0.41 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 2e0g h LEU 12 Cb 0.44 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 2e0g h LEU 12 CO 0.01 1.16 0.00 -0.61 -0.62 0.00 0.00 178.44 178.38 2e0g h GLN 13 N 0.56 0.00 0.10 1.25 5.75 -0.19 -2.87 115.11 119.70 2e0g h GLN 13 Ca 0.02 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.16 2e0g h GLN 13 Cb 1.09 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.61 2e0g h GLN 13 CO 0.11 0.00 -1.99 -0.25 -2.65 0.00 0.00 178.83 174.05 2e0g n ASP 14 N -3.00 2.09 0.08 -0.69 9.92 0.93 -4.19 116.55 121.70 2e0g n ASP 14 Ca 0.04 0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 2e0g n ASP 14 Cb 0.49 -0.83 0.32 0.00 -0.64 0.00 0.00 41.12 40.45 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 -0.05 0.30 -2.98 -1.24 4.81 -0.54 -3.45 114.58 111.44 2e0g h GLU 15 Ca -0.44 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 58.66 2e0g h GLU 15 Cb 1.95 -0.03 -0.14 0.00 0.63 0.00 0.00 28.75 31.16 2e0g h GLU 15 CO 0.04 0.49 0.05 -0.51 -0.73 0.00 0.00 179.01 178.35 2e0g s LEU 16 N -8.67 -0.08 0.00 1.64 1.43 -1.09 -5.03 118.68 106.89 2e0g s LEU 16 Ca -0.06 0.01 0.14 0.00 -1.03 0.00 0.00 54.13 53.20 2e0g s LEU 16 Cb 0.15 2.17 0.64 0.00 0.03 0.00 0.00 46.19 49.18 2e0g s LEU 16 CO 0.75 -0.81 1.45 -0.81 0.23 0.00 0.00 176.35 177.16 2e0g n PRO 17 N 0.06 0.05 -1.52 1.29 -0.04 -1.26 -4.09 135.00 129.48 2e0g n PRO 17 Ca -0.17 0.23 -0.39 0.00 -0.04 0.00 0.00 63.50 63.12 2e0g n PRO 17 Cb 0.62 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 2e0g n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2e0g n ALA 18 N -1.45 0.50 1.02 0.55 0.00 -1.26 -4.73 120.51 115.14 2e0g n ALA 18 Ca 0.04 -0.55 0.12 0.00 0.00 0.00 0.00 53.44 53.05 2e0g n ALA 18 Cb 0.16 -2.66 0.22 0.00 0.00 0.00 0.00 19.45 17.16 2e0g n ALA 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2e0g n THR 19 N 7.70 0.00 -0.32 0.00 -1.04 -1.26 -4.22 114.28 115.13 2e0g n THR 19 Ca 0.54 -0.01 0.19 0.00 -2.04 0.00 0.00 64.05 62.72 2e0g n THR 19 Cb 0.24 0.35 0.39 0.00 -1.82 0.00 0.00 70.33 69.50 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 0.11 0.34 -0.87 -2.82 5.08 -2.00 0.66 114.58 115.07 2e0g h GLU 20 Ca 0.00 -0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.54 2e0g h GLU 20 Cb 0.50 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 2e0g h GLU 20 CO 0.00 0.22 0.59 0.27 -1.00 0.00 0.00 179.01 179.09 2e0g h PHE 21 N 0.35 0.45 0.00 4.33 -5.15 -1.94 0.67 116.94 115.64 2e0g h PHE 21 Ca 0.65 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 58.44 2e0g h PHE 21 Cb 1.38 -0.14 0.00 0.00 0.22 0.00 0.00 35.95 37.41 2e0g h PHE 21 CO -0.09 0.12 0.00 1.03 -2.00 0.00 0.00 178.31 177.37 2e0g h SER 22 N 0.34 0.00 0.08 -0.68 0.87 0.04 -1.37 113.55 112.83 2e0g h SER 22 Ca 0.45 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.67 2e0g h SER 22 Cb 1.20 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.10 2e0g h SER 22 CO -0.14 0.00 -2.26 0.23 -0.53 0.00 0.00 176.83 174.12 2e0g n MET 23 N -2.73 0.68 -1.07 2.24 2.81 0.22 -3.12 117.12 116.15 2e0g n MET 23 Ca -0.00 0.03 -0.12 0.00 -1.81 0.00 0.00 57.70 55.80 2e0g n MET 23 Cb 0.18 -1.56 0.25 0.00 -0.71 0.00 0.00 33.22 31.38 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 -2.77 2.56 0.00 2.03 7.02 -0.61 -4.41 117.44 121.26 2e0g n TRP 24 Ca -0.29 -1.47 0.00 0.00 -1.02 0.00 0.00 57.50 54.72 2e0g n TRP 24 Cb 1.12 -0.76 0.00 0.00 -2.42 0.00 0.00 31.31 29.24 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 -0.60 0.00 -0.02 -0.99 2.08 -0.56 -4.81 119.36 114.45 2e0g n ILE 25 Ca 0.47 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.65 2e0g n ILE 25 Cb 1.46 -0.01 -0.08 0.00 -0.75 0.00 0.00 39.64 40.27 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 -0.50 0.00 0.38 2.47 -1.71 0.17 114.38 115.19 2e0g h ARG 26 Ca 0.00 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2e0g h ARG 26 Cb 0.00 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2e0g h ARG 26 CO 0.00 -0.34 0.00 -0.35 0.56 0.00 0.00 179.97 179.84 2e0g n PRO 27 N -5.44 0.17 -2.81 0.04 -0.04 -1.26 -4.76 135.00 120.90 2e0g n PRO 27 Ca -0.05 0.17 -0.26 0.00 -0.04 0.00 0.00 63.50 63.32 2e0g n PRO 27 Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.66 3.65 -0.28 1.53 1.43 0.59 -4.84 118.68 118.11 2e0g s LEU 28 Ca 0.12 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 2e0g s LEU 28 Cb 0.10 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.78 2e0g s LEU 28 CO 0.23 -0.61 -0.05 -1.58 0.23 0.00 0.00 176.35 174.57 2e0g s GLN 29 N -4.66 2.37 0.30 1.70 -0.44 0.53 -4.90 119.66 114.57 2e0g s GLN 29 Ca 0.47 -1.29 -0.25 0.00 -2.50 0.00 0.00 55.36 51.79 2e0g s GLN 29 Cb -0.10 -3.06 -0.10 0.00 -1.64 0.00 0.00 33.01 28.12 2e0g s GLN 29 CO 0.42 -0.59 0.91 0.00 0.50 0.00 0.00 175.29 176.53 2e0g s ALA 30 N 1.20 3.25 -0.09 1.58 0.00 -1.26 0.02 121.76 126.45 2e0g s ALA 30 Ca -0.07 0.47 -0.01 0.00 0.00 0.00 0.00 51.96 52.35 2e0g s ALA 30 Cb -0.20 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 19.82 2e0g s ALA 30 CO -0.03 0.20 -0.03 -2.00 0.00 0.00 0.00 175.76 173.90 2e0g s GLU 31 N -2.01 0.98 -0.13 0.00 2.12 0.55 -4.94 118.70 115.27 2e0g s GLU 31 Ca 0.49 -0.06 -0.19 0.00 0.36 0.00 0.00 54.97 55.57 2e0g s GLU 31 Cb -0.19 -1.26 -0.04 0.00 0.26 0.00 0.00 34.13 32.90 2e0g s GLU 31 CO 0.24 -0.30 0.50 -0.51 -0.54 0.00 0.00 175.26 174.64 2e0g s LEU 32 N 1.86 4.26 -0.26 2.70 1.02 -1.26 -0.21 118.68 126.79 2e0g s LEU 32 Ca 0.05 0.82 0.12 0.00 0.02 0.00 0.00 54.13 55.14 2e0g s LEU 32 Cb -0.13 -2.73 0.60 0.00 0.02 0.00 0.00 46.19 43.96 2e0g s LEU 32 CO -0.07 -0.04 1.57 -1.20 0.02 0.00 0.00 176.35 176.64 2e0g n SER 33 N 3.87 3.90 0.00 2.29 7.64 0.59 -4.90 113.62 127.02 2e0g n SER 33 Ca -0.06 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 56.55 2e0g n SER 33 Cb 0.51 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 -0.53 0.00 -0.18 6.43 -0.08 -1.26 -4.36 116.55 116.57 2e0g n ASP 34 Ca 0.31 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 2e0g n ASP 34 Cb 1.10 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 44.29 2e0g n ASP 34 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2e0g n ASN 35 N 0.00 0.00 -3.62 1.67 4.13 -1.26 -5.01 115.26 111.17 2e0g n ASN 35 Ca 0.00 -0.41 -0.03 0.00 1.68 0.00 0.00 54.58 55.82 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 -0.44 -0.42 3.41 2.01 -1.26 -1.73 115.64 117.21 2e0g s THR 36 Ca 0.00 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.86 2e0g s THR 36 Cb 0.00 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.55 2e0g s THR 36 CO 0.00 0.00 0.31 -0.22 -0.69 0.00 0.00 174.62 174.02 2e0g s LEU 37 N 2.18 5.21 0.27 4.42 2.96 0.12 -0.30 118.68 133.53 2e0g s LEU 37 Ca -0.08 -1.12 -0.03 0.00 -0.22 0.00 0.00 54.13 52.69 2e0g s LEU 37 Cb -0.08 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.44 2e0g s LEU 37 CO -0.19 -0.51 0.49 0.00 -1.32 0.00 0.00 176.35 174.83 2e0g s ALA 38 N 1.62 3.71 -0.13 5.97 0.00 0.71 0.09 121.76 133.73 2e0g s ALA 38 Ca 0.04 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.32 2e0g s ALA 38 Cb -0.21 -2.16 0.01 0.00 0.00 0.00 0.00 23.12 20.75 2e0g s ALA 38 CO 0.07 0.27 -0.22 -0.51 0.00 0.00 0.00 175.76 175.38 2e0g s LEU 39 N -3.57 2.06 -0.32 0.00 2.01 0.13 -0.33 118.68 118.65 2e0g s LEU 39 Ca 0.41 -0.57 -0.08 0.00 0.01 0.00 0.00 54.13 53.91 2e0g s LEU 39 Cb -0.11 -1.39 0.02 0.00 0.01 0.00 0.00 46.19 44.72 2e0g s LEU 39 CO 0.30 0.09 0.12 -0.31 1.01 0.00 0.00 176.35 177.56 2e0g s TYR 40 N 0.72 3.20 0.30 0.29 1.51 0.10 -0.52 117.35 122.95 2e0g s TYR 40 Ca -0.10 -1.07 0.10 0.00 -1.01 0.00 0.00 57.07 54.99 2e0g s TYR 40 Cb -0.16 -2.30 -0.05 0.00 -0.11 0.00 0.00 41.96 39.34 2e0g s TYR 40 CO 0.01 -0.62 -0.01 0.00 -1.11 0.00 0.00 175.55 173.81 2e0g s ALA 41 N 1.49 3.15 -1.01 3.71 0.00 -0.53 -0.34 121.76 128.23 2e0g s ALA 41 Ca 0.01 -1.82 0.14 0.00 0.00 0.00 0.00 51.96 50.30 2e0g s ALA 41 Cb -0.18 -0.54 0.61 0.00 0.00 0.00 0.00 23.12 23.00 2e0g s ALA 41 CO 0.04 0.17 1.45 -0.35 0.00 0.00 0.00 175.76 177.07 2e0g n PRO 42 N -0.90 0.00 -3.57 0.00 -0.04 -1.26 0.41 135.00 129.64 2e0g n PRO 42 Ca -0.05 0.25 -0.09 0.00 -0.04 0.00 0.00 63.50 63.57 2e0g n PRO 42 Cb 0.61 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 -2.99 -0.41 0.42 3.54 6.03 -1.26 -4.46 114.94 115.81 2e0g s ASN 43 Ca 0.07 -0.18 0.19 0.00 -1.03 0.00 0.00 52.86 51.91 2e0g s ASN 43 Cb 0.09 0.57 0.91 0.00 -3.03 0.00 0.00 41.25 39.80 2e0g s ASN 43 CO 0.26 -0.97 1.86 -0.09 -2.03 0.00 0.00 177.10 176.12 2e0g h ARG 44 N 2.00 0.00 -0.00 3.55 2.43 -1.93 -3.22 114.38 117.21 2e0g h ARG 44 Ca -0.27 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 58.92 2e0g h ARG 44 Cb 1.27 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.77 2e0g h ARG 44 CO 0.32 0.30 -0.50 0.35 -1.51 0.00 0.00 179.97 178.93 2e0g h PHE 45 N 0.00 -1.44 -0.37 2.20 3.57 -1.99 -0.41 116.94 118.50 2e0g h PHE 45 Ca -0.00 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.60 2e0g h PHE 45 Cb 0.66 0.63 -0.05 0.00 2.79 0.00 0.00 35.95 39.98 2e0g h PHE 45 CO 0.00 -0.55 0.03 0.28 -2.23 0.00 0.00 178.31 175.84 2e0g h VAL 46 N -0.64 0.77 -0.06 1.41 2.07 -1.98 -2.05 116.25 115.75 2e0g h VAL 46 Ca 0.03 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.53 2e0g h VAL 46 Cb 0.70 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 2e0g h VAL 46 CO -0.35 0.03 -0.46 -0.07 0.02 0.00 0.00 177.57 176.74 2e0g h LEU 47 N 0.14 -1.42 -0.56 2.57 3.38 -1.47 0.30 115.31 118.26 2e0g h LEU 47 Ca 0.18 0.17 0.11 0.00 0.09 0.00 0.00 57.88 58.43 2e0g h LEU 47 Cb 0.23 0.56 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 2e0g h LEU 47 CO -0.27 -0.47 -0.02 -0.78 0.09 0.00 0.00 178.44 176.99 2e0g h ASP 48 N -0.57 -0.29 0.41 -0.43 1.82 -0.80 0.21 116.42 116.78 2e0g h ASP 48 Ca 0.05 0.14 -0.02 0.00 -0.39 0.00 0.00 57.03 56.81 2e0g h ASP 48 Cb 0.67 0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.94 2e0g h ASP 48 CO -0.37 -0.11 -0.20 -0.25 -1.61 0.00 0.00 179.24 176.70 2e0g h TRP 49 N 0.09 -0.52 -0.54 0.28 2.91 -0.63 -2.09 115.95 115.46 2e0g h TRP 49 Ca 0.28 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.37 2e0g h TRP 49 Cb 0.44 0.17 -0.07 0.00 -0.51 0.00 0.00 29.16 29.20 2e0g h TRP 49 CO -0.36 -0.32 0.18 0.28 -1.03 0.00 0.00 178.44 177.19 2e0g h VAL 50 N -0.56 0.79 0.00 2.65 2.07 0.24 0.23 116.25 121.67 2e0g h VAL 50 Ca -0.06 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2e0g h VAL 50 Cb 0.43 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2e0g h VAL 50 CO 0.09 0.06 0.00 -1.14 0.02 0.00 0.00 177.57 176.60 2e0g n ARG 51 N -5.02 0.13 -0.05 1.57 0.00 0.68 0.21 116.66 114.18 2e0g n ARG 51 Ca 0.07 0.52 -0.14 0.00 -0.00 0.00 0.00 57.85 58.29 2e0g n ARG 51 Cb 0.24 -1.84 -0.12 0.00 0.00 0.00 0.00 32.46 30.74 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 0.06 0.00 6.15 1.82 0.18 -3.34 116.42 121.29 2e0g h ASP 52 Ca 0.00 -0.87 0.00 0.00 -0.39 0.00 0.00 57.03 55.77 2e0g h ASP 52 Cb 0.14 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.14 2e0g h ASP 52 CO 0.00 0.92 -0.81 0.29 -1.61 0.00 0.00 179.24 178.03 2e0g n LYS 53 N -4.61 0.43 -0.31 0.28 4.01 -1.01 -4.36 118.16 112.58 2e0g n LYS 53 Ca -0.10 0.17 -0.09 0.00 -0.51 0.00 0.00 58.31 57.78 2e0g n LYS 53 Cb 0.46 -1.25 -0.05 0.00 -0.51 0.00 0.00 35.03 33.67 2e0g n LYS 53 CO 0.00 0.00 0.00 -0.92 -1.11 0.00 0.00 177.40 175.37 2e0g h TYR 54 N -0.81 -1.54 -0.29 2.13 3.20 -0.49 -1.77 116.97 117.40 2e0g h TYR 54 Ca 0.00 0.10 0.03 0.00 3.14 0.00 0.00 58.73 62.00 2e0g h TYR 54 Cb 0.81 0.78 -0.04 0.00 1.54 0.00 0.00 36.73 39.82 2e0g h TYR 54 CO -0.35 -0.41 -0.23 1.25 -1.64 0.00 0.00 178.16 176.78 2e0g h LEU 55 N -0.12 -0.80 -0.93 2.82 5.85 -1.60 0.33 115.31 120.86 2e0g h LEU 55 Ca 0.19 0.11 0.15 0.00 0.84 0.00 0.00 57.88 59.18 2e0g h LEU 55 Cb 0.52 0.34 -0.16 0.00 0.37 0.00 0.00 40.66 41.73 2e0g h LEU 55 CO -0.83 -0.12 -0.36 -1.13 -0.34 0.00 0.00 178.44 175.66 2e0g h ASN 56 N -0.07 -1.30 0.76 1.25 -0.00 -1.55 0.44 115.58 115.11 2e0g h ASN 56 Ca 0.05 0.29 -0.03 0.00 -0.00 0.00 0.00 56.30 56.61 2e0g h ASN 56 Cb 0.19 0.70 -0.00 0.00 -0.00 0.00 0.00 38.32 39.21 2e0g h ASN 56 CO -0.31 -0.30 -0.47 0.78 -0.00 0.00 0.00 177.43 177.14 2e0g h ASN 57 N -0.03 -1.18 -0.29 1.15 4.21 -0.47 -2.00 115.58 116.98 2e0g h ASN 57 Ca 0.35 0.06 0.06 0.00 1.21 0.00 0.00 56.30 57.98 2e0g h ASN 57 Cb 0.61 0.34 -0.08 0.00 -1.12 0.00 0.00 38.32 38.07 2e0g h ASN 57 CO -0.94 -0.72 -0.40 0.40 -1.29 0.00 0.00 177.43 174.49 2e0g h ILE 58 N -1.15 0.16 -0.58 2.81 1.08 0.85 -1.79 117.51 118.89 2e0g h ILE 58 Ca -0.10 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.46 2e0g h ILE 58 Cb 0.92 0.16 -0.11 0.00 -3.07 0.00 0.00 36.82 34.72 2e0g h ILE 58 CO 0.10 0.00 -0.40 0.78 -0.69 0.00 0.00 178.15 177.94 2e0g h ASN 59 N -0.37 -1.38 -0.89 1.72 2.35 -0.13 0.32 115.58 117.20 2e0g h ASN 59 Ca 0.12 0.24 0.16 0.00 -0.55 0.00 0.00 56.30 56.27 2e0g h ASN 59 Cb 0.59 0.64 -0.07 0.00 0.05 0.00 0.00 38.32 39.53 2e0g h ASN 59 CO -0.49 -0.33 0.58 1.23 -1.65 0.00 0.00 177.43 176.77 2e0g h GLY 60 N -0.21 1.10 0.53 2.83 0.00 -0.61 -1.85 103.07 104.87 2e0g h GLY 60 Ca 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 2e0g h GLY 60 CO -0.68 0.05 -0.05 -2.00 0.00 0.00 0.00 176.54 173.85 2e0g h LEU 61 N 0.59 0.11 -0.38 3.11 6.46 0.30 -1.88 115.31 123.62 2e0g h LEU 61 Ca 0.45 -0.53 0.08 0.00 -0.12 0.00 0.00 57.88 57.76 2e0g h LEU 61 Cb 0.87 -0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.69 2e0g h LEU 61 CO -0.20 0.62 -0.17 -0.07 -0.62 0.00 0.00 178.44 177.99 2e0g h LEU 62 N -0.41 -0.59 -0.27 2.25 3.38 -0.05 0.73 115.31 120.35 2e0g h LEU 62 Ca 0.00 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2e0g h LEU 62 Cb 0.60 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2e0g h LEU 62 CO 0.01 -0.21 0.11 0.74 0.09 0.00 0.00 178.44 179.18 2e0g h THR 63 N -0.10 1.17 0.00 0.22 2.02 -1.43 -1.43 112.91 113.36 2e0g h THR 63 Ca 0.19 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 2e0g h THR 63 Cb 0.39 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2e0g h THR 63 CO -0.45 0.18 -0.04 -1.28 0.37 0.00 0.00 175.52 174.30 2e0g h SER 64 N 0.29 0.00 0.07 4.18 0.87 -0.58 0.19 113.55 118.58 2e0g h SER 64 Ca 0.09 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.53 2e0g h SER 64 Cb 0.18 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.15 2e0g h SER 64 CO -0.01 0.04 -0.51 0.15 -0.53 0.00 0.00 176.83 175.97 2e0g h PHE 65 N 0.00 0.37 0.00 2.24 3.57 0.11 -3.45 116.94 119.78 2e0g h PHE 65 Ca -0.00 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.25 2e0g h PHE 65 Cb 0.36 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2e0g h PHE 65 CO 0.00 1.16 -0.22 0.00 -2.23 0.00 0.00 178.31 177.02 2e0g n GLY 67 N 1.84 -1.19 3.40 0.00 0.00 0.65 -4.63 105.19 105.27 2e0g n GLY 67 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.69 120.51 119.36 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 -0.23 -0.05 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 3.51 -4.72 0.00 -0.08 -1.26 -5.04 116.55 108.96 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 1.17 0.14 0.00 2.34 0.00 0.00 41.12 44.76 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 -2.39 1.58 1.13 -1.67 0.00 -1.26 -5.01 121.76 114.13 2e0g s ALA 70 Ca -0.03 0.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.79 2e0g s ALA 70 Cb 0.04 -3.22 0.25 0.00 0.00 0.00 0.00 23.12 20.19 2e0g s ALA 70 CO 0.27 -2.34 1.10 -1.25 0.00 0.00 0.00 175.76 173.54 2e0g s PRO 71 N -4.90 -0.61 0.52 0.00 0.04 -1.26 -4.99 135.00 123.79 2e0g s PRO 71 Ca 0.63 0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.86 2e0g s PRO 71 Cb -0.18 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2e0g s PRO 71 CO 0.57 -3.35 0.17 -0.65 0.04 0.00 0.00 177.00 173.78 2e0g s GLN 72 N -5.23 2.22 0.03 4.56 -0.21 -0.70 -4.89 119.66 115.44 2e0g s GLN 72 Ca 0.69 -2.21 0.05 0.00 0.02 0.00 0.00 55.36 53.90 2e0g s GLN 72 Cb -0.13 -1.79 -0.03 0.00 1.00 0.00 0.00 33.01 32.06 2e0g s GLN 72 CO 0.57 -0.44 -0.09 -1.17 -2.12 0.00 0.00 175.29 172.04 2e0g s LEU 73 N -4.03 3.05 0.16 2.90 0.20 -1.26 0.15 118.68 119.84 2e0g s LEU 73 Ca 0.20 -0.24 0.04 0.00 0.69 0.00 0.00 54.13 54.82 2e0g s LEU 73 Cb 0.00 -1.77 -0.05 0.00 -0.43 0.00 0.00 46.19 43.95 2e0g s LEU 73 CO 0.12 0.26 -0.08 -0.13 -0.29 0.00 0.00 176.35 176.23 2e0g s ARG 74 N -1.56 1.11 -0.01 1.98 0.52 0.11 -4.87 118.95 116.23 2e0g s ARG 74 Ca 0.17 -1.49 -0.07 0.00 -0.52 0.00 0.00 55.73 53.82 2e0g s ARG 74 Cb -0.11 -0.60 0.01 0.00 0.52 0.00 0.00 34.95 34.76 2e0g s ARG 74 CO 0.08 0.04 0.15 -0.06 0.02 0.00 0.00 175.30 175.53 2e0g s PHE 75 N -3.36 -0.02 -0.08 -0.53 0.40 -1.26 0.22 117.98 113.36 2e0g s PHE 75 Ca 0.19 0.01 -0.32 0.00 -0.60 0.00 0.00 56.93 56.21 2e0g s PHE 75 Cb 0.03 -0.02 0.12 0.00 0.51 0.00 0.00 43.02 43.66 2e0g s PHE 75 CO 0.02 -0.25 1.05 -1.21 0.70 0.00 0.00 175.22 175.53 2e0g s GLU 76 N -1.05 0.59 -0.49 0.44 2.02 0.32 -4.84 118.70 115.70 2e0g s GLU 76 Ca -0.11 -0.23 -0.20 0.00 0.02 0.00 0.00 54.97 54.45 2e0g s GLU 76 Cb -0.06 0.26 0.04 0.00 0.10 0.00 0.00 34.13 34.48 2e0g s GLU 76 CO 0.01 -0.26 0.67 0.08 0.02 0.00 0.00 175.26 175.78 2e0g s VAL 77 N -2.79 4.80 0.04 2.63 1.01 -1.26 -1.45 120.40 123.38 2e0g s VAL 77 Ca 0.08 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.63 2e0g s VAL 77 Cb -0.01 -4.30 -0.15 0.00 0.00 0.00 0.00 36.38 31.93 2e0g s VAL 77 CO -0.06 -0.77 1.46 1.23 0.00 0.00 0.00 175.10 176.96 2e0g h GLY 78 N 9.86 0.16 -5.20 4.51 0.00 -0.30 -3.44 103.07 108.65 2e0g h GLY 78 Ca -0.27 -0.12 -0.68 0.00 0.00 0.00 0.00 47.33 46.27 2e0g h GLY 78 CO 0.95 0.11 -0.77 -0.51 0.00 0.00 0.00 176.54 176.32 2e0g s THR 79 N -4.96 3.00 0.22 4.70 -4.23 -1.21 -5.02 115.64 108.15 2e0g s THR 79 Ca -0.14 -0.72 0.09 0.00 -1.18 0.00 0.00 61.69 59.74 2e0g s THR 79 Cb 0.05 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 2e0g s THR 79 CO 0.70 0.56 -0.03 -1.59 -0.54 0.00 0.00 174.62 173.72 2e0g s LYS 80 N -0.26 2.24 1.01 3.99 -2.85 -1.26 -4.12 119.74 118.49 2e0g s LYS 80 Ca 0.01 -1.32 -0.12 0.00 -1.00 0.00 0.00 55.97 53.54 2e0g s LYS 80 Cb -0.13 -2.20 0.19 0.00 -2.06 0.00 0.00 37.83 33.64 2e0g s LYS 80 CO 0.03 0.40 1.09 -1.25 0.10 0.00 0.00 175.35 175.72 2e0g s PRO 81 N -3.28 0.34 0.11 1.78 0.04 -1.26 -5.04 135.00 127.68 2e0g s PRO 81 Ca 0.29 0.50 -0.08 0.00 0.04 0.00 0.00 61.00 61.75 2e0g s PRO 81 Cb -0.08 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 2e0g s PRO 81 CO 0.18 -2.79 0.40 0.54 0.04 0.00 0.00 177.00 175.37 2e0g s VAL 82 N -2.96 5.11 -0.06 -0.36 0.11 -1.26 -5.10 120.40 115.89 2e0g s VAL 82 Ca 0.65 0.31 -0.03 0.00 -2.93 0.00 0.00 61.98 59.98 2e0g s VAL 82 Cb -0.19 -3.63 0.03 0.00 -1.53 0.00 0.00 36.38 31.06 2e0g s VAL 82 CO 0.58 0.18 0.14 0.28 -3.33 0.00 0.00 175.10 172.94 2e0g s THR 83 N -1.52 -0.03 -0.30 5.04 -1.32 -1.26 -5.14 115.64 111.11 2e0g s THR 83 Ca 0.37 0.12 -0.22 0.00 -1.21 0.00 0.00 61.69 60.75 2e0g s THR 83 Cb -0.13 -0.22 0.20 0.00 -1.51 0.00 0.00 72.50 70.84 2e0g s THR 83 CO 0.20 0.05 1.39 -1.58 -2.21 0.00 0.00 174.62 172.48 2e0g s GLN 84 N 0.80 0.04 -0.30 7.08 0.74 -1.26 -5.11 119.66 121.64 2e0g s GLN 84 Ca -0.06 0.05 -0.03 0.00 0.05 0.00 0.00 55.36 55.37 2e0g s GLN 84 Cb -0.08 0.01 0.28 0.00 1.10 0.00 0.00 33.01 34.33 2e0g s GLN 84 CO -0.04 -0.01 1.30 -2.37 -0.55 0.00 0.00 175.29 173.63 2e0g n THR 85 N 2.10 0.00 -1.21 -0.34 5.66 -1.26 -5.17 114.28 114.06 2e0g n THR 85 Ca -0.13 -0.52 -0.30 0.00 -3.05 0.00 0.00 64.05 60.05 2e0g n THR 85 Cb 0.57 1.01 0.13 0.00 -1.55 0.00 0.00 70.33 70.49 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 0.02 1.33 -0.30 1.09 0.04 -1.26 -5.08 135.00 130.84 2e0g s PRO 86 Ca 0.25 0.84 -0.17 0.00 0.04 0.00 0.00 61.00 61.96 2e0g s PRO 86 Cb 0.21 -1.82 0.21 0.00 0.04 0.00 0.00 34.50 33.14 2e0g s PRO 86 CO -0.07 -2.20 1.28 -1.14 0.04 0.00 0.00 177.00 174.92 2e0g s GLN 87 N -4.93 0.03 -0.30 4.56 2.00 -1.26 -5.17 119.66 114.59 2e0g s GLN 87 Ca 0.63 0.06 -0.18 0.00 -2.00 0.00 0.00 55.36 53.87 2e0g s GLN 87 Cb -0.18 0.01 0.20 0.00 0.80 0.00 0.00 33.01 33.84 2e0g s GLN 87 CO 0.57 -0.01 1.26 0.00 -0.50 0.00 0.00 175.29 176.61 2e0g s ALA 88 N 1.29 -3.03 -0.30 1.58 0.00 -1.26 -5.16 121.76 114.88 2e0g s ALA 88 Ca -0.06 1.87 -0.18 0.00 0.00 0.00 0.00 51.96 53.60 2e0g s ALA 88 Cb -0.02 -2.17 0.18 0.00 0.00 0.00 0.00 23.12 21.12 2e0g s ALA 88 CO -0.11 -0.73 1.23 0.00 0.00 0.00 0.00 175.76 176.15 2e0g s ALA 89 N 1.71 -3.56 -0.04 0.00 0.00 -1.26 -5.18 121.76 113.43 2e0g s ALA 89 Ca -0.03 1.54 -0.09 0.00 0.00 0.00 0.00 51.96 53.38 2e0g s ALA 89 Cb -0.02 -2.45 0.02 0.00 0.00 0.00 0.00 23.12 20.67 2e0g s ALA 89 CO -0.14 -1.25 0.22 0.54 0.00 0.00 0.00 175.76 175.13 2e0g s VAL 90 N 2.56 0.04 0.00 0.00 0.11 -1.26 -5.16 120.40 116.69 2e0g s VAL 90 Ca -0.04 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.67 2e0g s VAL 90 Cb -0.05 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 2e0g s VAL 90 CO -0.12 -0.18 0.00 1.07 -3.33 0.00 0.00 175.10 172.54 2e0g n THR 91 N 2.08 0.00 -3.65 5.04 5.66 -1.26 -5.18 114.28 116.97 2e0g n THR 91 Ca -0.18 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 60.84 2e0g n THR 91 Cb 0.57 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.29 2e0g n THR 91 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2e0g s SER 92 N 0.00 -0.03 -0.30 1.09 0.01 -1.26 -5.17 113.70 108.04 2e0g s SER 92 Ca 0.00 0.05 -0.18 0.00 1.31 0.00 0.00 55.95 57.13 2e0g s SER 92 Cb 0.00 0.96 0.21 0.00 0.21 0.00 0.00 66.02 67.39 2e0g s SER 92 CO 0.00 -0.01 1.29 0.21 0.41 0.00 0.00 173.24 175.14 2e0g s ASN 93 N 0.96 -0.04 -0.14 2.44 2.47 -1.26 -5.17 114.94 114.20 2e0g s ASN 93 Ca -0.07 0.06 -0.09 0.00 0.42 0.00 0.00 52.86 53.18 2e0g s ASN 93 Cb -0.02 1.03 0.05 0.00 -1.45 0.00 0.00 41.25 40.86 2e0g s ASN 93 CO -0.10 -0.01 0.36 -0.69 -3.72 0.00 0.00 177.10 172.94 2e0g s VAL 94 N 1.45 -0.02 -0.30 -5.21 1.01 -1.26 -5.15 120.40 110.92 2e0g s VAL 94 Ca -0.04 0.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 2e0g s VAL 94 Cb -0.01 -0.53 0.19 0.00 0.00 0.00 0.00 36.38 36.03 2e0g s VAL 94 CO -0.12 0.03 1.41 0.00 0.00 0.00 0.00 175.10 176.42 2e0g s ALA 95 N 1.04 -2.27 -0.32 5.51 0.00 -1.26 -5.11 121.76 119.35 2e0g s ALA 95 Ca -0.07 1.72 -0.04 0.00 0.00 0.00 0.00 51.96 53.57 2e0g s ALA 95 Cb -0.07 -1.79 0.27 0.00 0.00 0.00 0.00 23.12 21.52 2e0g s ALA 95 CO -0.08 -0.13 1.25 0.00 0.00 0.00 0.00 175.76 176.80 2e0g n ALA 96 N 1.79 -3.78 -1.20 0.00 0.00 -1.26 -5.17 120.51 110.89 2e0g n ALA 96 Ca -0.11 -0.17 -0.29 0.00 0.00 0.00 0.00 53.44 52.87 2e0g n ALA 96 Cb 0.57 -3.40 0.15 0.00 0.00 0.00 0.00 19.45 16.76 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 0.18 1.06 -0.30 0.00 0.04 -1.26 -5.08 135.00 129.64 2e0g s PRO 97 Ca 0.25 0.75 -0.24 0.00 0.04 0.00 0.00 61.00 61.80 2e0g s PRO 97 Cb 0.20 -1.79 0.19 0.00 0.04 0.00 0.00 34.50 33.13 2e0g s PRO 97 CO -0.07 -2.36 1.42 0.00 0.04 0.00 0.00 177.00 176.03 2e0g s ALA 98 N -2.94 -2.25 -0.30 8.56 0.00 -1.26 -5.17 121.76 118.40 2e0g s ALA 98 Ca 0.64 1.70 -0.18 0.00 0.00 0.00 0.00 51.96 54.12 2e0g s ALA 98 Cb -0.18 -1.79 0.20 0.00 0.00 0.00 0.00 23.12 21.36 2e0g s ALA 98 CO 0.57 -0.12 1.29 -1.14 0.00 0.00 0.00 175.76 176.36 2e0g s GLN 99 N 0.10 0.03 -0.08 0.00 -0.44 -1.26 -5.18 119.66 112.83 2e0g s GLN 99 Ca 0.06 0.06 -0.14 0.00 -2.50 0.00 0.00 55.36 52.84 2e0g s GLN 99 Cb -0.05 0.02 0.03 0.00 -1.64 0.00 0.00 33.01 31.37 2e0g s GLN 99 CO -0.15 -0.01 0.34 0.08 0.50 0.00 0.00 175.29 176.05 2e0g s VAL 100 N 1.58 0.02 -0.28 1.34 1.01 -1.26 -5.17 120.40 117.65 2e0g s VAL 100 Ca -0.03 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 2e0g s VAL 100 Cb -0.01 -0.55 0.19 0.00 0.00 0.00 0.00 36.38 36.01 2e0g s VAL 100 CO -0.13 -0.11 1.35 0.00 0.00 0.00 0.00 175.10 176.21 2e0g s ALA 101 N -0.46 -2.12 -0.27 5.51 0.00 -1.26 -5.18 121.76 117.97 2e0g s ALA 101 Ca -0.06 1.85 -0.27 0.00 0.00 0.00 0.00 51.96 53.49 2e0g s ALA 101 Cb -0.04 -1.52 0.17 0.00 0.00 0.00 0.00 23.12 21.73 2e0g s ALA 101 CO 0.02 -0.22 1.27 -1.14 0.00 0.00 0.00 175.76 175.69 2e0g s GLN 102 N -0.87 0.23 -0.10 0.00 2.00 -1.26 -5.19 119.66 114.48 2e0g s GLN 102 Ca 0.08 0.19 -0.32 0.00 -2.00 0.00 0.00 55.36 53.31 2e0g s GLN 102 Cb -0.01 0.11 0.12 0.00 0.80 0.00 0.00 33.01 34.03 2e0g s GLN 102 CO -0.08 -0.05 1.05 0.95 -0.50 0.00 0.00 175.29 176.66 2e0g s THR 103 N -0.29 0.00 0.00 -0.34 -4.23 -1.26 -5.08 115.64 104.43 2e0g s THR 103 Ca 0.06 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2e0g s THR 103 Cb -0.04 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.80 2e0g s THR 103 CO -0.10 0.00 0.00 1.67 -0.54 0.00 0.00 174.62 175.65 2e0g n GLN 104 N -0.16 0.00 -2.24 3.99 -0.06 -1.26 -5.14 117.38 112.51 2e0g n GLN 104 Ca -0.04 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.55 2e0g n GLN 104 Cb 0.60 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.75 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 0.00 4.43 -0.35 3.69 0.04 -1.26 -4.99 135.00 136.56 2e0g s PRO 105 Ca 0.00 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.03 2e0g s PRO 105 Cb 0.00 -3.16 0.20 0.00 0.04 0.00 0.00 34.50 31.58 2e0g s PRO 105 CO 0.00 -0.15 1.03 -1.14 0.04 0.00 0.00 177.00 176.78 2e0g s GLN 106 N -0.85 0.29 0.00 4.56 0.74 -1.26 -5.29 119.66 117.85 2e0g s GLN 106 Ca 0.52 -0.22 0.30 0.00 0.05 0.00 0.00 55.36 56.01 2e0g s GLN 106 Cb -0.37 0.00 1.78 0.00 1.10 0.00 0.00 33.01 35.53 2e0g s GLN 106 CO 0.43 -0.38 2.11 -2.13 -0.55 0.00 0.00 175.29 174.77