#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhm s SER 2 N 0.00 2.97 0.00 1.61 0.01 -1.26 -5.05 113.70 111.99 2dhm s SER 2 Ca 0.00 0.75 -0.06 0.00 1.31 0.00 0.00 55.95 57.95 2dhm s SER 2 Cb 0.00 -1.15 -0.02 0.00 0.21 0.00 0.00 66.02 65.06 2dhm s SER 2 CO 0.00 -2.86 -0.12 -1.20 0.41 0.00 0.00 173.24 169.46 2dhm n SER 3 N -3.94 1.40 0.00 2.44 7.64 -1.26 -5.14 113.62 114.76 2dhm n SER 3 Ca 0.10 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.18 2dhm n SER 3 Cb 0.59 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2dhm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dhm n GLY 4 N 2.79 3.48 3.51 0.23 0.00 -1.26 -5.19 105.19 108.76 2dhm n GLY 4 Ca -0.05 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 2dhm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dhm s SER 5 N 0.00 -0.47 -0.06 1.61 1.04 -1.26 -5.16 113.70 109.39 2dhm s SER 5 Ca 0.00 0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.62 2dhm s SER 5 Cb 0.00 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 2dhm s SER 5 CO 0.00 -0.61 0.22 -0.44 0.98 0.00 0.00 173.24 173.39 2dhm s SER 6 N -1.88 6.49 0.00 7.02 0.01 -1.26 -5.08 113.70 119.00 2dhm s SER 6 Ca -0.01 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.83 2dhm s SER 6 Cb -0.01 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2dhm s SER 6 CO -0.03 0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.58 2dhm n GLY 7 N 1.68 5.30 3.40 3.44 0.00 -1.26 -4.96 105.19 112.79 2dhm n GLY 7 Ca -0.16 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.49 2dhm n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dhm n MET 8 N 0.00 -7.12 -3.28 1.61 0.00 -1.26 -5.01 117.12 102.06 2dhm n MET 8 Ca 0.00 0.77 -0.19 0.00 0.00 0.00 0.00 57.70 58.28 2dhm n MET 8 Cb 0.00 -5.63 -0.00 0.00 0.00 0.00 0.00 33.22 27.59 2dhm n MET 8 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 2dhm s MET 9 N -6.01 2.64 -0.07 0.03 1.00 -1.26 -5.07 119.30 110.56 2dhm s MET 9 Ca 0.42 -1.43 -0.07 0.00 0.00 0.00 0.00 55.69 54.62 2dhm s MET 9 Cb -0.19 -2.56 -0.04 0.00 0.00 0.00 0.00 34.83 32.04 2dhm s MET 9 CO 0.67 -0.30 0.27 0.82 0.00 0.00 0.00 175.02 176.48 2dhm h ILE 10 N 0.77 0.03 -0.67 2.53 1.08 -1.99 -3.17 117.51 116.10 2dhm h ILE 10 Ca -0.40 -0.86 0.11 0.00 -0.39 0.00 0.00 64.86 63.32 2dhm h ILE 10 Cb 1.28 0.06 -0.11 0.00 -3.07 0.00 0.00 36.82 34.97 2dhm h ILE 10 CO 0.50 0.01 -0.24 0.54 -0.69 0.00 0.00 178.15 178.27 2dhm n ARG 11 N -4.92 -0.13 -0.10 2.37 3.00 -1.26 0.18 116.66 115.80 2dhm n ARG 11 Ca -0.03 1.04 -0.08 0.00 -0.01 0.00 0.00 57.85 58.77 2dhm n ARG 11 Cb 0.09 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 31.01 2dhm n ARG 11 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 2dhm h GLU 12 N 0.00 0.39 -0.90 5.56 4.11 -2.00 -2.17 114.58 119.56 2dhm h GLU 12 Ca 0.25 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.70 2dhm h GLU 12 Cb 0.42 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 2dhm h GLU 12 CO -0.67 0.26 0.59 0.00 0.07 0.00 0.00 179.01 179.26 2dhm h ARG 13 N 0.40 1.07 0.40 1.06 3.08 0.20 0.26 114.38 120.86 2dhm h ARG 13 Ca 0.14 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2dhm h ARG 13 Cb 0.02 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.83 2dhm h ARG 13 CO -0.07 0.71 -0.19 0.82 -1.07 0.00 0.00 179.97 180.16 2dhm h ILE 14 N 1.11 0.00 -0.04 2.04 2.04 -0.17 -3.15 117.51 119.34 2dhm h ILE 14 Ca 0.36 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 66.23 2dhm h ILE 14 Cb 0.06 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 2dhm h ILE 14 CO -0.12 0.00 -0.07 -0.33 0.00 0.00 0.00 178.15 177.63 2dhm h GLU 15 N -0.56 -0.10 -1.62 2.37 5.08 -1.37 -1.93 114.58 116.45 2dhm h GLU 15 Ca -0.06 0.01 0.47 0.00 -1.00 0.00 0.00 59.36 58.78 2dhm h GLU 15 Cb 0.41 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 2dhm h GLU 15 CO 0.09 -0.07 1.17 0.39 -1.00 0.00 0.00 179.01 179.59 2dhm n GLU 16 N -5.19 -0.00 -0.08 2.33 1.02 0.90 0.63 120.64 120.24 2dhm n GLU 16 Ca -0.05 0.88 -0.13 0.00 -0.02 0.00 0.00 57.16 57.84 2dhm n GLU 16 Cb 0.12 -2.04 -0.08 0.00 -0.02 0.00 0.00 31.44 29.42 2dhm n GLU 16 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2dhm h LYS 17 N 0.00 0.00 -0.14 3.49 1.79 -1.31 -3.35 116.57 117.05 2dhm h LYS 17 Ca 0.77 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 59.28 2dhm h LYS 17 Cb 3.09 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 33.74 2dhm h LYS 17 CO -0.01 0.64 0.31 -0.07 -1.08 0.00 0.00 179.45 179.23 2dhm h LEU 18 N -1.00 0.00 0.40 2.94 3.38 0.41 0.28 115.31 121.72 2dhm h LEU 18 Ca -0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2dhm h LEU 18 Cb 0.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2dhm h LEU 18 CO -0.09 0.00 -0.33 0.03 0.09 0.00 0.00 178.44 178.14 2dhm h ARG 19 N 0.00 -0.71 0.05 1.13 3.08 -0.79 -2.12 114.38 115.02 2dhm h ARG 19 Ca 0.07 0.05 -0.32 0.00 0.07 0.00 0.00 59.98 59.85 2dhm h ARG 19 Cb 0.68 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.85 2dhm h ARG 19 CO -0.00 -0.47 -1.80 0.00 -1.07 0.00 0.00 179.97 176.63 2dhm n ALA 20 N -2.60 1.27 -0.02 0.04 0.00 -0.79 -1.93 120.51 116.48 2dhm n ALA 20 Ca -0.10 -0.69 -0.12 0.00 0.00 0.00 0.00 53.44 52.52 2dhm n ALA 20 Cb 0.35 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.93 2dhm n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dhm h ALA 21 N 0.67 -0.62 0.00 0.00 0.00 -0.51 -3.37 119.26 115.43 2dhm h ALA 21 Ca -0.33 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 2dhm h ALA 21 Cb 2.02 0.84 -0.04 0.00 0.00 0.00 0.00 17.79 20.61 2dhm h ALA 21 CO 0.09 -0.95 -1.84 1.19 0.00 0.00 0.00 179.25 177.74 2dhm n PHE 22 N -5.43 0.00 -2.29 0.00 3.72 -0.94 -5.05 117.46 107.47 2dhm n PHE 22 Ca -0.04 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.32 2dhm n PHE 22 Cb 0.36 -0.54 0.02 0.00 -0.94 0.00 0.00 39.48 38.38 2dhm n PHE 22 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2dhm n GLN 23 N -3.58 -1.49 -0.15 -1.08 6.02 -0.81 -5.05 117.38 111.23 2dhm n GLN 23 Ca -0.29 0.21 -0.04 0.00 -0.01 0.00 0.00 57.00 56.87 2dhm n GLN 23 Cb 0.72 -3.23 0.04 0.00 1.02 0.00 0.00 30.24 28.79 2dhm n GLN 23 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2dhm n PRO 24 N -1.81 -1.33 -0.07 -1.09 -0.04 -1.26 -5.01 135.00 124.39 2dhm n PRO 24 Ca -0.06 -0.25 -0.10 0.00 -0.04 0.00 0.00 63.50 63.04 2dhm n PRO 24 Cb 0.54 -0.24 -0.15 0.00 -0.04 0.00 0.00 33.50 33.61 2dhm n PRO 24 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2dhm n VAL 25 N -2.85 1.48 -4.53 0.52 3.14 -0.92 -4.96 118.33 110.21 2dhm n VAL 25 Ca 0.02 -0.82 -0.28 0.00 -2.96 0.00 0.00 64.34 60.29 2dhm n VAL 25 Cb 0.08 -0.71 -0.13 0.00 -1.06 0.00 0.00 33.84 32.02 2dhm n VAL 25 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 2dhm s PHE 26 N -2.53 2.22 -0.26 1.45 5.36 -1.23 -5.00 117.98 117.99 2dhm s PHE 26 Ca -0.09 -0.39 -0.14 0.00 -0.96 0.00 0.00 56.93 55.34 2dhm s PHE 26 Cb 0.07 -1.24 0.08 0.00 -0.34 0.00 0.00 43.02 41.59 2dhm s PHE 26 CO 0.82 0.25 0.63 -1.17 -1.46 0.00 0.00 175.22 174.29 2dhm s LEU 27 N -1.77 -0.84 -0.28 6.12 2.96 -1.25 -3.21 118.68 120.41 2dhm s LEU 27 Ca 0.12 1.42 -0.22 0.00 -0.22 0.00 0.00 54.13 55.23 2dhm s LEU 27 Cb -0.10 2.19 0.11 0.00 0.50 0.00 0.00 46.19 48.89 2dhm s LEU 27 CO 0.04 -0.23 0.91 -0.70 -1.32 0.00 0.00 176.35 175.06 2dhm s GLU 28 N 1.80 0.57 0.00 1.98 2.56 -0.92 -5.00 118.70 119.70 2dhm s GLU 28 Ca -0.09 0.78 0.07 0.00 0.00 0.00 0.00 54.97 55.73 2dhm s GLU 28 Cb -0.07 0.23 -0.03 0.00 2.00 0.00 0.00 34.13 36.27 2dhm s GLU 28 CO -0.19 -0.08 -0.22 0.08 -0.56 0.00 0.00 175.26 174.29 2dhm s VAL 29 N 0.67 2.41 -0.43 3.70 1.01 -1.26 -0.30 120.40 126.20 2dhm s VAL 29 Ca -0.02 -1.13 -0.06 0.00 0.00 0.00 0.00 61.98 60.78 2dhm s VAL 29 Cb -0.05 -1.92 0.11 0.00 0.00 0.00 0.00 36.38 34.52 2dhm s VAL 29 CO -0.08 0.48 0.25 -0.69 0.00 0.00 0.00 175.10 175.05 2dhm s VAL 30 N -0.75 3.68 0.17 2.92 1.01 0.91 -5.01 120.40 123.34 2dhm s VAL 30 Ca 0.12 -1.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.05 2dhm s VAL 30 Cb -0.10 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.77 2dhm s VAL 30 CO 0.01 -0.67 0.64 1.51 0.00 0.00 0.00 175.10 176.59 2dhm s ASP 31 N 2.11 6.98 -0.76 3.32 -4.77 -1.26 -3.18 116.67 119.11 2dhm s ASP 31 Ca 0.06 1.28 -0.03 0.00 -3.30 0.00 0.00 52.55 50.56 2dhm s ASP 31 Cb -0.24 -2.36 0.24 0.00 -1.09 0.00 0.00 42.92 39.47 2dhm s ASP 31 CO -0.02 0.09 2.28 -1.84 0.70 0.00 0.00 175.17 176.38 2dhm n GLU 32 N 0.89 2.96 -1.09 2.11 -0.00 -1.21 -4.73 120.64 119.57 2dhm n GLU 32 Ca -0.04 -3.23 -0.20 0.00 -0.00 0.00 0.00 57.16 53.69 2dhm n GLU 32 Cb 0.51 -2.26 -0.00 0.00 -0.00 0.00 0.00 31.44 29.69 2dhm n GLU 32 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2dhm n SER 33 N 0.09 6.43 -2.32 -1.84 7.64 -1.26 -4.43 113.62 117.93 2dhm n SER 33 Ca 0.52 -3.09 -0.27 0.00 1.01 0.00 0.00 58.87 57.04 2dhm n SER 33 Cb 0.34 -1.13 0.02 0.00 -1.01 0.00 0.00 64.21 62.43 2dhm n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dhm n TYR 34 N 0.60 3.11 0.02 1.43 4.11 -1.26 -4.76 117.16 120.41 2dhm n TYR 34 Ca 0.37 -2.70 -0.19 0.00 -0.00 0.00 0.00 57.90 55.37 2dhm n TYR 34 Cb 0.58 -0.34 -0.11 0.00 -0.00 0.00 0.00 39.34 39.48 2dhm n TYR 34 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.86 176.93 2dhm h ARG 35 N 2.42 0.56 -0.85 -3.48 0.11 -1.88 -3.29 114.38 107.96 2dhm h ARG 35 Ca 0.36 -0.60 0.25 0.00 0.10 0.00 0.00 59.98 60.10 2dhm h ARG 35 Cb 1.10 0.17 -0.16 0.00 1.11 0.00 0.00 29.97 32.19 2dhm h ARG 35 CO 0.90 1.21 0.09 0.72 0.10 0.00 0.00 179.97 182.99 2dhm n HIS 36 N -4.04 0.61 0.13 4.08 8.25 -1.26 -1.14 115.22 121.84 2dhm n HIS 36 Ca -0.11 1.02 -0.05 0.00 -0.26 0.00 0.00 57.72 58.32 2dhm n HIS 36 Cb 0.77 -1.18 -0.02 0.00 1.12 0.00 0.00 29.99 30.68 2dhm n HIS 36 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 2dhm h ASN 37 N 0.00 -0.29 -4.11 0.41 -0.73 -1.96 -3.45 115.58 105.46 2dhm h ASN 37 Ca 0.55 0.01 -0.55 0.00 1.87 0.00 0.00 56.30 58.18 2dhm h ASN 37 Cb 1.20 0.07 0.14 0.00 0.27 0.00 0.00 38.32 40.01 2dhm h ASN 37 CO -0.78 -0.12 0.51 0.68 -0.37 0.00 0.00 177.43 177.34 2dhm s VAL 38 N -3.04 2.20 0.47 2.57 -7.23 -0.29 -4.97 120.40 110.11 2dhm s VAL 38 Ca -0.05 0.12 -0.22 0.00 -1.81 0.00 0.00 61.98 60.02 2dhm s VAL 38 Cb 0.00 -3.05 -0.07 0.00 0.56 0.00 0.00 36.38 33.82 2dhm s VAL 38 CO 0.15 -0.03 1.16 -2.16 -0.31 0.00 0.00 175.10 173.91 2dhm s PRO 39 N -3.36 3.69 -0.72 4.82 0.04 -1.26 -4.80 135.00 133.41 2dhm s PRO 39 Ca 0.81 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 63.32 2dhm s PRO 39 Cb -0.36 -2.34 -0.17 0.00 0.04 0.00 0.00 34.50 31.67 2dhm s PRO 39 CO 0.38 -0.60 2.10 0.00 0.04 0.00 0.00 177.00 178.91 2dhm n ALA 40 N -0.62 0.22 -2.00 8.56 0.00 -1.26 -4.64 120.51 120.77 2dhm n ALA 40 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2dhm n ALA 40 Cb 0.48 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2dhm n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dhm n GLY 41 N 5.52 3.03 3.62 0.00 0.00 -1.26 -5.17 105.19 110.93 2dhm n GLY 41 Ca 0.52 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 46.42 2dhm n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhm s SER 42 N 1.57 -0.94 -0.08 1.61 0.01 -1.26 -5.16 113.70 109.45 2dhm s SER 42 Ca 0.00 1.38 0.04 0.00 1.31 0.00 0.00 55.95 58.68 2dhm s SER 42 Cb 0.00 1.78 -0.00 0.00 0.21 0.00 0.00 66.02 68.01 2dhm s SER 42 CO 0.00 -0.20 -0.21 -1.83 0.41 0.00 0.00 173.24 171.40 2dhm s GLU 43 N 2.22 2.56 -0.33 12.44 1.03 -1.26 -5.03 118.70 130.33 2dhm s GLU 43 Ca -0.07 -0.77 0.10 0.00 0.03 0.00 0.00 54.97 54.25 2dhm s GLU 43 Cb -0.08 -2.03 0.46 0.00 -0.80 0.00 0.00 34.13 31.68 2dhm s GLU 43 CO -0.19 0.21 1.13 0.43 -1.33 0.00 0.00 175.26 175.50 2dhm n SER 44 N 3.40 3.92 -4.44 0.83 7.64 -1.26 -4.99 113.62 118.71 2dhm n SER 44 Ca -0.19 -3.34 -0.44 0.00 1.01 0.00 0.00 58.87 55.91 2dhm n SER 44 Cb 0.53 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 2dhm n SER 44 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2dhm s HIS 45 N -3.56 3.15 -0.08 1.43 5.04 -1.26 -4.99 115.29 115.02 2dhm s HIS 45 Ca 0.43 -1.42 0.03 0.00 -1.54 0.00 0.00 55.06 52.56 2dhm s HIS 45 Cb 0.40 -4.25 0.01 0.00 0.04 0.00 0.00 32.58 28.77 2dhm s HIS 45 CO -0.04 -1.46 -0.16 0.12 -2.34 0.00 0.00 174.74 170.86 2dhm s PHE 46 N 2.55 1.82 -0.10 3.88 5.36 -1.26 -3.33 117.98 126.90 2dhm s PHE 46 Ca 0.32 -0.73 -0.17 0.00 -0.96 0.00 0.00 56.93 55.38 2dhm s PHE 46 Cb -0.05 -1.29 0.04 0.00 -0.34 0.00 0.00 43.02 41.38 2dhm s PHE 46 CO -0.09 -0.35 0.42 0.21 -1.46 0.00 0.00 175.22 173.94 2dhm s LYS 47 N 0.66 0.63 -0.01 10.12 2.36 -1.19 -3.39 119.74 128.91 2dhm s LYS 47 Ca -0.14 0.28 0.05 0.00 -2.55 0.00 0.00 55.97 53.61 2dhm s LYS 47 Cb -0.16 0.29 -0.01 0.00 -1.05 0.00 0.00 37.83 36.90 2dhm s LYS 47 CO 0.04 -0.13 -0.15 0.08 1.55 0.00 0.00 175.35 176.73 2dhm s VAL 48 N -0.49 1.20 -0.30 4.02 1.01 -1.17 -0.06 120.40 124.61 2dhm s VAL 48 Ca -0.06 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 2dhm s VAL 48 Cb -0.03 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.38 2dhm s VAL 48 CO 0.03 0.34 0.04 -0.69 0.00 0.00 0.00 175.10 174.82 2dhm s VAL 49 N -0.32 3.45 -0.14 2.92 1.01 0.58 -1.78 120.40 126.13 2dhm s VAL 49 Ca 0.05 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 2dhm s VAL 49 Cb -0.06 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.48 2dhm s VAL 49 CO -0.00 -0.00 -0.07 -0.22 0.00 0.00 0.00 175.10 174.80 2dhm s LEU 50 N 1.38 1.44 -0.23 3.92 0.20 -0.67 -2.16 118.68 122.55 2dhm s LEU 50 Ca -0.01 -0.50 -0.08 0.00 0.69 0.00 0.00 54.13 54.23 2dhm s LEU 50 Cb -0.18 -0.90 -0.04 0.00 -0.43 0.00 0.00 46.19 44.64 2dhm s LEU 50 CO 0.00 -0.15 0.10 -0.69 -0.29 0.00 0.00 176.35 175.32 2dhm s VAL 51 N 1.66 4.75 -0.16 1.68 1.01 -1.20 -2.52 120.40 125.62 2dhm s VAL 51 Ca 0.03 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 2dhm s VAL 51 Cb -0.14 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.09 2dhm s VAL 51 CO -0.08 0.37 0.47 -0.55 0.00 0.00 0.00 175.10 175.31 2dhm s SER 52 N 1.16 -0.48 0.30 3.32 0.15 0.10 -2.16 113.70 116.08 2dhm s SER 52 Ca 0.05 0.90 0.12 0.00 0.70 0.00 0.00 55.95 57.72 2dhm s SER 52 Cb -0.14 0.92 0.44 0.00 -1.71 0.00 0.00 66.02 65.53 2dhm s SER 52 CO 0.04 -0.20 1.66 -2.24 1.20 0.00 0.00 173.24 173.70 2dhm h ASP 53 N 5.21 0.00 -1.21 5.45 3.04 -1.94 -3.11 116.42 123.85 2dhm h ASP 53 Ca -0.27 0.00 0.35 0.00 -3.24 0.00 0.00 57.03 53.87 2dhm h ASP 53 Cb 1.18 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.42 2dhm h ASP 53 CO 0.22 0.56 1.06 0.03 -2.04 0.00 0.00 179.24 179.07 2dhm h ARG 54 N 0.00 0.00 -1.38 4.15 2.47 -1.96 0.61 114.38 118.27 2dhm h ARG 54 Ca -0.01 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.35 2dhm h ARG 54 Cb 1.01 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.17 2dhm h ARG 54 CO 0.07 0.00 0.47 1.19 0.56 0.00 0.00 179.97 182.26 2dhm n PHE 55 N -3.71 1.77 -3.19 3.04 3.01 -1.17 -4.91 117.46 112.30 2dhm n PHE 55 Ca 0.27 -1.99 -0.40 0.00 1.01 0.00 0.00 57.45 56.33 2dhm n PHE 55 Cb 1.44 -0.97 -0.07 0.00 -0.01 0.00 0.00 39.48 39.87 2dhm n PHE 55 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 2dhm s THR 56 N -2.53 5.05 -0.42 4.37 -1.32 0.21 -4.58 115.64 116.42 2dhm s THR 56 Ca 0.35 1.01 -0.20 0.00 -1.21 0.00 0.00 61.69 61.65 2dhm s THR 56 Cb 0.28 -3.88 0.03 0.00 -1.51 0.00 0.00 72.50 67.42 2dhm s THR 56 CO 0.00 0.10 0.47 0.61 -2.21 0.00 0.00 174.62 173.59 2dhm n GLY 57 N 4.12 -0.21 3.44 6.08 0.00 -1.26 -4.96 105.19 112.40 2dhm n GLY 57 Ca -0.03 0.72 -0.13 0.00 0.00 0.00 0.00 46.02 46.58 2dhm n GLY 57 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dhm s GLU 58 N -2.56 1.68 1.01 1.61 -1.05 -1.26 -5.15 118.70 112.98 2dhm s GLU 58 Ca 0.19 -1.63 -0.19 0.00 -0.15 0.00 0.00 54.97 53.19 2dhm s GLU 58 Cb -0.02 0.41 -0.09 0.00 -0.44 0.00 0.00 34.13 33.99 2dhm s GLU 58 CO 0.64 -0.67 -0.65 0.54 0.95 0.00 0.00 175.26 176.08 2dhm n ARG 59 N -0.47 -0.29 -0.01 -4.83 5.12 -1.26 -4.94 116.66 109.98 2dhm n ARG 59 Ca 0.01 -0.07 -0.22 0.00 -1.93 0.00 0.00 57.85 55.64 2dhm n ARG 59 Cb 0.62 -1.27 -0.14 0.00 -1.16 0.00 0.00 32.46 30.52 2dhm n ARG 59 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2dhm n PHE 60 N -3.26 1.25 -0.06 -1.55 3.72 -1.26 -4.30 117.46 112.00 2dhm n PHE 60 Ca 0.00 0.29 -0.12 0.00 -0.05 0.00 0.00 57.45 57.58 2dhm n PHE 60 Cb 0.62 -1.16 -0.11 0.00 -0.94 0.00 0.00 39.48 37.89 2dhm n PHE 60 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2dhm h LEU 61 N -0.07 -0.00 -1.24 4.37 5.85 -2.01 -3.31 115.31 118.89 2dhm h LEU 61 Ca -0.41 -0.82 0.40 0.00 0.84 0.00 0.00 57.88 57.89 2dhm h LEU 61 Cb 1.94 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.88 2dhm h LEU 61 CO 0.05 0.90 0.83 -0.46 -0.34 0.00 0.00 178.44 179.43 2dhm n ASN 62 N -4.65 0.12 -0.08 1.25 6.94 -1.26 0.23 115.26 117.81 2dhm n ASN 62 Ca -0.08 1.02 -0.11 0.00 -0.02 0.00 0.00 54.58 55.39 2dhm n ASN 62 Cb 0.40 -0.50 -0.04 0.00 -2.36 0.00 0.00 39.78 37.28 2dhm n ASN 62 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2dhm h ARG 63 N 0.00 0.42 0.18 -3.83 3.08 -1.75 -2.85 114.38 109.64 2dhm h ARG 63 Ca 0.72 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.65 2dhm h ARG 63 Cb 2.49 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 32.49 2dhm h ARG 63 CO -0.27 0.52 -0.09 0.45 -1.07 0.00 0.00 179.97 179.52 2dhm h HIS 64 N 0.24 -0.23 -0.76 3.04 3.86 0.28 -3.09 115.15 118.49 2dhm h HIS 64 Ca 0.08 -0.01 0.30 0.00 -1.16 0.00 0.00 60.37 59.58 2dhm h HIS 64 Cb 0.30 0.08 -0.14 0.00 1.06 0.00 0.00 27.41 28.70 2dhm h HIS 64 CO 0.01 -0.14 0.32 2.89 0.86 0.00 0.00 177.93 181.87 2dhm n ARG 65 N -2.78 -0.05 0.14 2.45 1.85 -1.00 0.11 116.66 117.37 2dhm n ARG 65 Ca -0.03 1.07 -0.13 0.00 -1.00 0.00 0.00 57.85 57.76 2dhm n ARG 65 Cb 0.10 -1.88 -0.06 0.00 -1.05 0.00 0.00 32.46 29.57 2dhm n ARG 65 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 177.63 178.14 2dhm h MET 66 N 0.00 -0.50 0.53 2.89 2.86 -1.42 0.28 114.93 119.57 2dhm h MET 66 Ca 0.61 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 58.25 2dhm h MET 66 Cb 1.54 0.11 0.01 0.00 0.06 0.00 0.00 31.60 33.32 2dhm h MET 66 CO -0.62 -0.33 -0.25 0.82 1.06 0.00 0.00 176.91 177.58 2dhm h ILE 67 N -0.52 0.38 -0.04 -1.22 1.08 0.82 -3.16 117.51 114.85 2dhm h ILE 67 Ca 0.02 -0.34 0.02 0.00 -0.39 0.00 0.00 64.86 64.17 2dhm h ILE 67 Cb 0.52 0.50 -0.05 0.00 -3.07 0.00 0.00 36.82 34.72 2dhm h ILE 67 CO -0.13 0.05 -0.49 1.88 -0.69 0.00 0.00 178.15 178.76 2dhm h TYR 68 N -0.95 -1.46 -0.82 1.37 0.05 -1.14 -0.95 116.97 113.07 2dhm h TYR 68 Ca -0.07 0.05 0.29 0.00 0.05 0.00 0.00 58.73 59.05 2dhm h TYR 68 Cb 0.62 0.64 -0.15 0.00 1.01 0.00 0.00 36.73 38.85 2dhm h TYR 68 CO 0.00 -0.52 0.26 0.45 -1.05 0.00 0.00 178.16 177.30 2dhm n SER 69 N -5.20 0.12 -0.06 3.88 2.88 0.99 0.17 113.62 116.40 2dhm n SER 69 Ca -0.06 1.37 -0.10 0.00 -1.33 0.00 0.00 58.87 58.75 2dhm n SER 69 Cb 0.36 -0.60 -0.03 0.00 -0.75 0.00 0.00 64.21 63.19 2dhm n SER 69 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2dhm h THR 70 N 0.00 1.08 -0.67 2.46 2.02 -1.14 -3.03 112.91 113.63 2dhm h THR 70 Ca 0.61 -0.18 -0.45 0.00 0.77 0.00 0.00 66.41 67.16 2dhm h THR 70 Cb 1.49 0.77 -0.28 0.00 -1.74 0.00 0.00 68.15 68.38 2dhm h THR 70 CO -0.69 0.08 -0.15 0.18 0.37 0.00 0.00 175.52 175.30 2dhm n LEU 71 N -4.90 5.30 -0.08 2.58 4.77 0.44 -4.81 117.00 120.30 2dhm n LEU 71 Ca -0.03 -4.30 -0.06 0.00 -0.03 0.00 0.00 56.01 51.60 2dhm n LEU 71 Cb 0.04 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 40.49 2dhm n LEU 71 CO 0.34 1.66 0.50 0.00 -1.33 0.00 0.00 177.39 178.56 2dhm h ALA 72 N 1.71 -0.45 0.00 -1.18 0.00 0.16 -1.71 119.26 117.78 2dhm h ALA 72 Ca 0.38 0.01 -0.25 0.00 0.00 0.00 0.00 54.91 55.05 2dhm h ALA 72 Cb 1.43 0.94 -0.04 0.00 0.00 0.00 0.00 17.79 20.11 2dhm h ALA 72 CO 0.82 -0.58 -1.50 0.93 0.00 0.00 0.00 179.25 178.92 2dhm h GLU 73 N -0.14 0.00 0.00 0.00 3.07 -1.87 -3.25 114.58 112.39 2dhm h GLU 73 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2dhm h GLU 73 Cb 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2dhm h GLU 73 CO -0.28 0.51 0.00 0.39 -1.40 0.00 0.00 179.01 178.23 2dhm n GLU 74 N -3.06 0.00 -0.31 2.33 1.02 -1.13 -0.75 120.64 118.74 2dhm n GLU 74 Ca -0.12 0.70 -0.01 0.00 -0.02 0.00 0.00 57.16 57.71 2dhm n GLU 74 Cb 0.98 -1.48 0.17 0.00 -0.02 0.00 0.00 31.44 31.09 2dhm n GLU 74 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 2dhm h LEU 75 N 0.00 1.03 -2.31 -4.62 8.10 -1.52 -1.05 115.31 114.94 2dhm h LEU 75 Ca 0.00 -0.03 0.04 0.00 0.11 0.00 0.00 57.88 58.00 2dhm h LEU 75 Cb 0.00 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 39.96 2dhm h LEU 75 CO 0.00 0.74 0.17 0.28 -4.11 0.00 0.00 178.44 175.52 2dhm h SER 76 N 1.21 0.00 -0.25 0.17 0.02 -1.46 0.47 113.55 113.71 2dhm h SER 76 Ca 0.33 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.31 2dhm h SER 76 Cb -0.13 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 2dhm h SER 76 CO -0.07 0.00 -0.30 0.74 -1.14 0.00 0.00 176.83 176.06 2dhm h THR 77 N 0.00 0.00 0.00 -2.27 2.02 0.45 -3.37 112.91 109.74 2dhm h THR 77 Ca 0.06 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 2dhm h THR 77 Cb 0.41 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2dhm h THR 77 CO -0.00 0.00 -1.10 1.07 0.37 0.00 0.00 175.52 175.86 2dhm n THR 78 N -4.12 0.10 -3.03 3.16 5.66 -1.13 -5.01 114.28 109.92 2dhm n THR 78 Ca -0.02 -0.06 -0.40 0.00 -3.05 0.00 0.00 64.05 60.52 2dhm n THR 78 Cb 0.18 -0.96 -0.05 0.00 -1.55 0.00 0.00 70.33 67.95 2dhm n THR 78 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2dhm s VAL 79 N -2.04 5.01 -0.24 1.08 1.01 0.16 -4.96 120.40 120.43 2dhm s VAL 79 Ca -0.01 1.44 -0.18 0.00 0.00 0.00 0.00 61.98 63.23 2dhm s VAL 79 Cb 0.00 -4.04 -0.16 0.00 0.00 0.00 0.00 36.38 32.18 2dhm s VAL 79 CO 0.06 0.18 -0.04 1.57 0.00 0.00 0.00 175.10 176.88 2dhm n HIS 80 N 4.27 0.58 -4.33 5.22 -0.00 -1.26 -3.21 115.22 116.49 2dhm n HIS 80 Ca -0.00 0.25 -0.20 0.00 0.46 0.00 0.00 57.72 58.22 2dhm n HIS 80 Cb 0.51 -1.05 -0.11 0.00 -0.12 0.00 0.00 29.99 29.22 2dhm n HIS 80 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2dhm s ALA 81 N -2.43 1.96 -0.28 1.57 0.00 -1.26 -4.95 121.76 116.37 2dhm s ALA 81 Ca -0.33 -1.52 -0.19 0.00 0.00 0.00 0.00 51.96 49.92 2dhm s ALA 81 Cb 0.10 -0.14 0.08 0.00 0.00 0.00 0.00 23.12 23.15 2dhm s ALA 81 CO 0.54 0.17 0.72 -1.17 0.00 0.00 0.00 175.76 176.03 2dhm s LEU 82 N -2.84 -0.85 -0.70 0.00 2.96 -1.26 -4.90 118.68 111.09 2dhm s LEU 82 Ca 0.17 1.44 -0.23 0.00 -0.22 0.00 0.00 54.13 55.30 2dhm s LEU 82 Cb -0.04 2.37 0.07 0.00 0.50 0.00 0.00 46.19 49.09 2dhm s LEU 82 CO 0.06 -0.23 1.02 0.00 -1.32 0.00 0.00 176.35 175.87 2dhm s ALA 83 N 1.17 3.09 -0.20 5.97 0.00 -1.22 -5.01 121.76 125.57 2dhm s ALA 83 Ca -0.06 -1.89 -0.29 0.00 0.00 0.00 0.00 51.96 49.72 2dhm s ALA 83 Cb -0.05 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.15 2dhm s ALA 83 CO -0.13 -2.86 1.05 -0.51 0.00 0.00 0.00 175.76 173.32 2dhm s LEU 84 N 4.11 4.13 -0.59 0.00 1.43 -1.26 -3.06 118.68 123.45 2dhm s LEU 84 Ca 0.25 1.43 -0.10 0.00 -1.03 0.00 0.00 54.13 54.68 2dhm s LEU 84 Cb -0.15 -3.54 0.15 0.00 0.03 0.00 0.00 46.19 42.68 2dhm s LEU 84 CO 0.08 -0.64 0.48 -1.00 0.23 0.00 0.00 176.35 175.50 2dhm s HIS 85 N 3.02 3.48 -0.27 0.29 3.76 -0.73 -5.01 115.29 119.82 2dhm s HIS 85 Ca 0.46 -1.99 -0.11 0.00 -0.15 0.00 0.00 55.06 53.27 2dhm s HIS 85 Cb -0.16 -3.55 -0.05 0.00 1.11 0.00 0.00 32.58 29.93 2dhm s HIS 85 CO 0.09 -0.97 0.18 0.95 -0.85 0.00 0.00 174.74 174.14 2dhm s THR 86 N 0.85 5.27 0.18 1.30 -4.23 -1.26 -1.68 115.64 116.07 2dhm s THR 86 Ca 0.10 0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.78 2dhm s THR 86 Cb -0.22 -3.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.08 2dhm s THR 86 CO -0.03 0.27 0.01 -0.31 -0.54 0.00 0.00 174.62 174.02 2dhm s TYR 87 N 1.61 1.22 0.42 3.99 1.51 -1.05 -5.01 117.35 120.06 2dhm s TYR 87 Ca 0.07 -1.03 0.06 0.00 -1.01 0.00 0.00 57.07 55.16 2dhm s TYR 87 Cb -0.15 -0.70 0.06 0.00 -0.11 0.00 0.00 41.96 41.06 2dhm s TYR 87 CO 0.09 -0.22 0.48 0.25 -1.11 0.00 0.00 175.55 175.04 2dhm n THR 88 N -0.25 0.00 -0.04 -0.71 -2.24 -1.26 0.02 114.28 109.81 2dhm n THR 88 Ca -0.06 -1.53 -0.15 0.00 -2.27 0.00 0.00 64.05 60.04 2dhm n THR 88 Cb 0.63 -0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 2dhm n THR 88 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2dhm h ILE 89 N 0.30 1.29 0.07 2.28 5.03 -1.94 -3.01 117.51 121.54 2dhm h ILE 89 Ca -0.23 -1.88 -0.00 0.00 -0.12 0.00 0.00 64.86 62.63 2dhm h ILE 89 Cb 0.94 1.83 0.00 0.00 -3.03 0.00 0.00 36.82 36.57 2dhm h ILE 89 CO 0.34 0.60 -0.04 0.50 -0.68 0.00 0.00 178.15 178.87 2dhm h LYS 90 N 0.56 -0.10 -0.95 2.37 1.63 -1.98 -1.45 116.57 116.65 2dhm h LYS 90 Ca -0.02 0.01 0.38 0.00 -0.85 0.00 0.00 60.65 60.17 2dhm h LYS 90 Cb 1.27 0.02 -0.17 0.00 -0.60 0.00 0.00 32.23 32.75 2dhm h LYS 90 CO 0.14 -0.06 0.44 0.39 -3.45 0.00 0.00 179.45 176.91 2dhm n GLU 91 N -3.81 -0.06 -0.02 1.90 -0.58 -1.26 0.41 120.64 117.22 2dhm n GLU 91 Ca -0.01 1.32 -0.16 0.00 -0.42 0.00 0.00 57.16 57.89 2dhm n GLU 91 Cb 0.04 -2.34 -0.12 0.00 -0.57 0.00 0.00 31.44 28.45 2dhm n GLU 91 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 2dhm h TRP 92 N 0.00 0.27 -1.28 -0.32 -0.00 -1.64 -1.21 115.95 111.77 2dhm h TRP 92 Ca 0.77 -0.17 0.37 0.00 -0.00 0.00 0.00 58.89 59.87 2dhm h TRP 92 Cb 2.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 29.16 31.09 2dhm h TRP 92 CO -0.07 1.04 1.22 0.39 -0.00 0.00 0.00 178.44 181.01 2dhm n GLU 93 N -4.44 0.01 -2.69 2.65 -0.58 0.17 -3.20 120.64 112.56 2dhm n GLU 93 Ca -0.11 0.98 -0.05 0.00 -0.42 0.00 0.00 57.16 57.56 2dhm n GLU 93 Cb 0.57 -2.37 0.06 0.00 -0.57 0.00 0.00 31.44 29.13 2dhm n GLU 93 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dhm n GLY 94 N -1.73 -1.36 0.11 0.62 0.00 -1.05 -5.01 105.19 96.78 2dhm n GLY 94 Ca 0.29 0.87 -0.13 0.00 0.00 0.00 0.00 46.02 47.04 2dhm n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dhm h LEU 95 N 3.57 0.36 -3.87 0.99 6.46 -1.18 -3.27 115.31 118.37 2dhm h LEU 95 Ca -0.17 -0.35 -0.58 0.00 -0.12 0.00 0.00 57.88 56.67 2dhm h LEU 95 Cb 1.16 -0.12 -0.26 0.00 -0.73 0.00 0.00 40.66 40.71 2dhm h LEU 95 CO -0.07 1.22 0.75 0.00 -0.62 0.00 0.00 178.44 179.71 2dhm n GLN 96 N -3.58 2.43 -3.61 1.25 10.64 -1.26 -4.89 117.38 118.36 2dhm n GLN 96 Ca -0.06 -2.89 -0.13 0.00 -1.83 0.00 0.00 57.00 52.08 2dhm n GLN 96 Cb 0.93 -2.13 -0.07 0.00 -0.86 0.00 0.00 30.24 28.11 2dhm n GLN 96 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2dhm s ASP 97 N -1.35 -0.65 -0.21 2.61 -1.08 -1.23 -5.15 116.67 109.61 2dhm s ASP 97 Ca 0.57 1.15 -0.04 0.00 -0.52 0.00 0.00 52.55 53.71 2dhm s ASP 97 Cb 0.45 1.13 0.07 0.00 -1.46 0.00 0.00 42.92 43.12 2dhm s ASP 97 CO 0.01 -0.29 0.10 0.42 0.52 0.00 0.00 175.17 175.92 2dhm s THR 98 N 0.01 0.02 0.43 1.71 -4.23 -1.26 -4.89 115.64 107.43 2dhm s THR 98 Ca -0.01 -0.41 -0.25 0.00 -1.18 0.00 0.00 61.69 59.83 2dhm s THR 98 Cb -0.04 -0.77 -0.08 0.00 1.34 0.00 0.00 72.50 72.95 2dhm s THR 98 CO 0.01 -0.41 1.30 -0.69 -0.54 0.00 0.00 174.62 174.29 2dhm s VAL 99 N 2.08 2.59 0.25 2.29 1.01 -1.26 -5.01 120.40 122.35 2dhm s VAL 99 Ca 0.04 0.51 -0.14 0.00 0.00 0.00 0.00 61.98 62.39 2dhm s VAL 99 Cb -0.16 -3.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.85 2dhm s VAL 99 CO -0.17 0.06 0.65 0.12 0.00 0.00 0.00 175.10 175.76 2dhm s PHE 100 N -1.29 3.47 0.11 5.22 5.36 -1.26 -5.09 117.98 124.50 2dhm s PHE 100 Ca 0.59 1.12 0.07 0.00 -0.96 0.00 0.00 56.93 57.76 2dhm s PHE 100 Cb -0.38 -2.44 -0.04 0.00 -0.34 0.00 0.00 43.02 39.82 2dhm s PHE 100 CO 0.48 0.24 -0.11 0.00 -1.46 0.00 0.00 175.22 174.37 2dhm s ALA 101 N -1.78 2.93 0.01 11.12 0.00 -1.26 -5.13 121.76 127.65 2dhm s ALA 101 Ca 0.48 -1.27 0.08 0.00 0.00 0.00 0.00 51.96 51.25 2dhm s ALA 101 Cb -0.12 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2dhm s ALA 101 CO 0.19 0.63 -0.24 0.45 0.00 0.00 0.00 175.76 176.79 2dhm s SER 102 N -2.24 3.30 0.33 0.00 0.15 -1.26 -5.12 113.70 108.85 2dhm s SER 102 Ca 0.21 -0.48 -0.28 0.00 0.70 0.00 0.00 55.95 56.10 2dhm s SER 102 Cb -0.11 -0.41 -0.10 0.00 -1.71 0.00 0.00 66.02 63.69 2dhm s SER 102 CO 0.14 0.29 1.22 -2.16 1.20 0.00 0.00 173.24 173.93 2dhm s PRO 103 N -0.97 4.39 0.34 5.44 0.04 -1.26 -5.00 135.00 137.99 2dhm s PRO 103 Ca 0.11 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 62.91 2dhm s PRO 103 Cb -0.10 -3.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.30 2dhm s PRO 103 CO 0.01 -0.09 1.21 -1.25 0.04 0.00 0.00 177.00 176.93 2dhm s PRO 104 N -1.77 4.33 -1.17 0.56 0.04 -1.26 -3.53 135.00 132.19 2dhm s PRO 104 Ca 0.49 2.00 -0.00 0.00 0.04 0.00 0.00 61.00 63.52 2dhm s PRO 104 Cb -0.36 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2dhm s PRO 104 CO 0.47 -0.13 0.01 0.00 0.04 0.00 0.00 177.00 177.39 2dhm s ARG 106 N -6.30 0.61 0.00 0.00 6.06 -1.23 -5.33 118.95 112.76 2dhm s ARG 106 Ca 0.01 -0.12 0.00 0.00 -2.50 0.00 0.00 55.73 53.12 2dhm s ARG 106 Cb -0.01 0.28 0.00 0.00 0.06 0.00 0.00 34.95 35.29 2dhm s ARG 106 CO 0.75 -0.24 0.01 0.41 -2.50 0.00 0.00 175.30 173.73