#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 -0.23 0.05 1.61 0.01 -1.26 -5.16 113.70 108.72 2dhm s SER 2 Ca 0.00 0.46 -0.00 0.00 1.31 0.00 0.00 55.95 57.72 2dhm s SER 2 Cb 0.00 0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.58 2dhm s SER 2 CO 0.00 -0.13 -0.04 -0.44 0.41 0.00 0.00 173.24 173.04 2dhm s SER 3 N 0.83 0.57 -0.44 2.44 0.01 -1.26 -5.10 113.70 110.75 2dhm s SER 3 Ca -0.06 -0.89 0.07 0.00 1.31 0.00 0.00 55.95 56.38 2dhm s SER 3 Cb -0.07 0.16 0.30 0.00 0.21 0.00 0.00 66.02 66.61 2dhm s SER 3 CO -0.05 -0.51 0.92 0.61 0.41 0.00 0.00 173.24 174.62 2dhm n GLY 4 N 0.40 1.31 3.62 3.44 0.00 -1.26 -5.11 105.19 107.59 2dhm n GLY 4 Ca -0.16 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 2dhm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhm s SER 5 N -1.60 6.74 -0.26 1.61 0.01 -1.26 -5.02 113.70 113.93 2dhm s SER 5 Ca 0.29 0.72 -0.22 0.00 1.31 0.00 0.00 55.95 58.06 2dhm s SER 5 Cb 0.27 -2.46 -0.01 0.00 0.21 0.00 0.00 66.02 64.03 2dhm s SER 5 CO -0.11 -0.78 0.69 -0.55 0.41 0.00 0.00 173.24 172.91 2dhm s SER 6 N 1.73 6.65 0.00 2.44 0.15 -1.26 -4.93 113.70 118.47 2dhm s SER 6 Ca 0.38 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.81 2dhm s SER 6 Cb -0.13 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2dhm s SER 6 CO 0.16 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2dhm n GLY 7 N 4.07 3.79 2.83 9.45 0.00 -1.26 -5.02 105.19 119.05 2dhm n GLY 7 Ca 0.01 -1.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 2dhm n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dhm s MET 8 N -2.89 2.12 0.16 1.61 1.00 -1.26 -5.09 119.30 114.96 2dhm s MET 8 Ca 0.00 -3.00 0.07 0.00 0.00 0.00 0.00 55.69 52.76 2dhm s MET 8 Cb 0.00 -3.09 -0.04 0.00 0.00 0.00 0.00 34.83 31.70 2dhm s MET 8 CO 0.00 -1.26 0.03 -1.64 0.00 0.00 0.00 175.02 172.15 2dhm s MET 9 N -0.98 2.54 0.00 2.03 1.00 -1.26 -5.05 119.30 117.59 2dhm s MET 9 Ca 0.24 -1.03 -0.23 0.00 0.00 0.00 0.00 55.69 54.67 2dhm s MET 9 Cb -0.08 -2.44 -0.18 0.00 0.00 0.00 0.00 34.83 32.13 2dhm s MET 9 CO -0.13 0.47 1.29 0.82 0.00 0.00 0.00 175.02 177.47 2dhm h ILE 10 N 2.40 1.38 -0.76 2.53 5.03 -1.99 -3.16 117.51 122.94 2dhm h ILE 10 Ca -0.47 -1.25 0.10 0.00 -0.12 0.00 0.00 64.86 63.12 2dhm h ILE 10 Cb 1.20 2.07 -0.11 0.00 -3.03 0.00 0.00 36.82 36.94 2dhm h ILE 10 CO 0.59 0.34 -0.35 -1.14 -0.68 0.00 0.00 178.15 176.92 2dhm n ARG 11 N -4.71 -0.23 -0.21 2.37 0.00 -1.26 0.14 116.66 112.75 2dhm n ARG 11 Ca -0.07 1.17 -0.06 0.00 -0.00 0.00 0.00 57.85 58.88 2dhm n ARG 11 Cb 0.31 -1.73 0.04 0.00 0.00 0.00 0.00 32.46 31.07 2dhm n ARG 11 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2dhm h GLU 12 N 0.00 0.83 -1.00 -0.14 5.08 -2.00 -2.45 114.58 114.89 2dhm h GLU 12 Ca 0.22 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 2dhm h GLU 12 Cb 0.41 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 2dhm h GLU 12 CO -0.75 0.59 0.66 0.00 -1.00 0.00 0.00 179.01 178.51 2dhm h ARG 13 N 0.82 1.22 0.05 2.33 3.08 0.13 -0.26 114.38 121.75 2dhm h ARG 13 Ca 0.22 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2dhm h ARG 13 Cb -0.03 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.75 2dhm h ARG 13 CO -0.04 0.81 -0.02 0.82 -1.07 0.00 0.00 179.97 180.46 2dhm h ILE 14 N 1.26 0.00 -0.38 2.04 2.04 0.06 -2.51 117.51 120.01 2dhm h ILE 14 Ca 0.41 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.35 2dhm h ILE 14 Cb 0.03 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.02 2dhm h ILE 14 CO -0.13 0.00 -0.22 -0.33 0.00 0.00 0.00 178.15 177.47 2dhm h GLU 15 N -0.06 -0.15 -1.09 2.37 5.08 -1.48 0.46 114.58 119.71 2dhm h GLU 15 Ca -0.01 0.01 0.37 0.00 -1.00 0.00 0.00 59.36 58.74 2dhm h GLU 15 Cb 0.05 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.18 2dhm h GLU 15 CO 0.01 -0.10 0.64 0.93 -1.00 0.00 0.00 179.01 179.49 2dhm h GLU 16 N -0.16 0.18 0.19 2.33 5.08 -1.06 0.14 114.58 121.28 2dhm h GLU 16 Ca 0.19 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2dhm h GLU 16 Cb 0.45 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2dhm h GLU 16 CO -0.48 0.12 -0.09 0.87 -1.00 0.00 0.00 179.01 178.43 2dhm h LYS 17 N 0.19 -0.25 -1.23 2.33 1.79 -0.48 -3.29 116.57 115.63 2dhm h LYS 17 Ca 0.78 0.02 0.36 0.00 -2.18 0.00 0.00 60.65 59.63 2dhm h LYS 17 Cb 2.05 0.06 -0.10 0.00 -1.58 0.00 0.00 32.23 32.66 2dhm h LYS 17 CO -0.58 -0.07 0.82 -0.07 -1.08 0.00 0.00 179.45 178.47 2dhm h LEU 18 N -1.04 0.26 -0.60 2.94 3.38 -0.17 0.26 115.31 120.35 2dhm h LEU 18 Ca -0.03 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.14 2dhm h LEU 18 Cb 0.29 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 40.97 2dhm h LEU 18 CO 0.04 -0.03 -0.26 0.03 0.09 0.00 0.00 178.44 178.31 2dhm h ARG 19 N 0.18 -0.10 0.00 1.13 3.08 -0.86 -1.17 114.38 116.64 2dhm h ARG 19 Ca 0.69 0.01 -0.26 0.00 0.07 0.00 0.00 59.98 60.49 2dhm h ARG 19 Cb 2.18 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 32.20 2dhm h ARG 19 CO -0.27 -0.07 -1.74 0.00 -1.07 0.00 0.00 179.97 176.82 2dhm n ALA 20 N -3.12 1.64 0.16 0.04 0.00 0.05 -2.30 120.51 116.99 2dhm n ALA 20 Ca 0.06 -0.79 -0.15 0.00 0.00 0.00 0.00 53.44 52.55 2dhm n ALA 20 Cb 0.35 -0.78 -0.09 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 1.14 -1.02 0.00 0.00 0.00 -0.00 -3.38 119.26 116.00 2dhm h ALA 21 Ca -0.29 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.25 2dhm h ALA 21 Cb 1.91 0.80 -0.04 0.00 0.00 0.00 0.00 17.79 20.46 2dhm h ALA 21 CO 0.06 -1.10 -1.90 1.19 0.00 0.00 0.00 179.25 177.50 2dhm n PHE 22 N -5.19 0.00 -2.30 0.00 3.72 -0.50 -5.05 117.46 108.14 2dhm n PHE 22 Ca -0.09 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.27 2dhm n PHE 22 Cb 0.39 -0.59 0.02 0.00 -0.94 0.00 0.00 39.48 38.36 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 -3.25 -1.53 -0.44 -1.08 6.02 -0.97 -5.06 117.38 111.08 2dhm n GLN 23 Ca -0.29 0.22 -0.13 0.00 -0.01 0.00 0.00 57.00 56.79 2dhm n GLN 23 Cb 0.77 -3.25 0.11 0.00 1.02 0.00 0.00 30.24 28.89 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 -1.92 -0.06 -1.09 -0.04 -1.26 -5.00 135.00 123.81 2dhm n PRO 24 Ca -0.07 -0.73 -0.08 0.00 -0.04 0.00 0.00 63.50 62.59 2dhm n PRO 24 Cb 0.54 -0.69 -0.15 0.00 -0.04 0.00 0.00 33.50 33.17 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 -3.50 1.36 -4.36 0.52 3.14 -1.07 -4.95 118.33 109.47 2dhm n VAL 25 Ca 0.06 -0.81 -0.26 0.00 -2.96 0.00 0.00 64.34 60.37 2dhm n VAL 25 Cb 0.25 -0.63 -0.13 0.00 -1.06 0.00 0.00 33.84 32.27 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 -2.61 2.01 -0.25 1.45 5.36 -1.23 -5.01 117.98 117.70 2dhm s PHE 26 Ca -0.08 -0.40 -0.13 0.00 -0.96 0.00 0.00 56.93 55.37 2dhm s PHE 26 Cb 0.07 -1.10 0.08 0.00 -0.34 0.00 0.00 43.02 41.73 2dhm s PHE 26 CO 0.83 0.25 0.60 -1.17 -1.46 0.00 0.00 175.22 174.27 2dhm s LEU 27 N -1.91 -0.76 -0.30 6.12 2.96 -1.25 -3.33 118.68 120.20 2dhm s LEU 27 Ca 0.10 1.34 -0.10 0.00 -0.22 0.00 0.00 54.13 55.24 2dhm s LEU 27 Cb -0.10 2.05 0.17 0.00 0.50 0.00 0.00 46.19 48.81 2dhm s LEU 27 CO 0.05 -0.23 0.87 -0.70 -1.32 0.00 0.00 176.35 175.03 2dhm s GLU 28 N 1.88 0.36 -0.08 1.98 2.12 -0.76 -5.00 118.70 119.21 2dhm s GLU 28 Ca -0.09 0.77 -0.01 0.00 0.36 0.00 0.00 54.97 56.00 2dhm s GLU 28 Cb -0.08 0.44 -0.03 0.00 0.26 0.00 0.00 34.13 34.73 2dhm s GLU 28 CO -0.18 -0.27 -0.01 0.08 -0.54 0.00 0.00 175.26 174.34 2dhm s VAL 29 N 2.75 4.17 -0.43 3.70 1.01 -1.26 0.11 120.40 130.45 2dhm s VAL 29 Ca 0.03 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 2dhm s VAL 29 Cb -0.10 -2.75 0.11 0.00 0.00 0.00 0.00 36.38 33.64 2dhm s VAL 29 CO -0.17 0.59 0.26 -0.69 0.00 0.00 0.00 175.10 175.10 2dhm s VAL 30 N -0.88 3.74 0.25 2.92 1.01 0.02 -5.01 120.40 122.45 2dhm s VAL 30 Ca 0.13 -1.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.11 2dhm s VAL 30 Cb -0.11 -3.49 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 2dhm s VAL 30 CO 0.03 -0.70 0.61 1.51 0.00 0.00 0.00 175.10 176.55 2dhm s ASP 31 N 2.19 6.72 -0.17 3.32 1.47 -1.26 -3.27 116.67 125.67 2dhm s ASP 31 Ca 0.06 1.07 -0.02 0.00 1.18 0.00 0.00 52.55 54.85 2dhm s ASP 31 Cb -0.24 -2.29 -0.01 0.00 -0.34 0.00 0.00 42.92 40.04 2dhm s ASP 31 CO -0.02 -0.09 -0.10 -1.83 0.68 0.00 0.00 175.17 173.81 2dhm s GLU 32 N -2.72 3.36 0.88 2.11 4.04 -1.24 -5.07 118.70 120.06 2dhm s GLU 32 Ca 0.48 -0.67 -0.12 0.00 0.04 0.00 0.00 54.97 54.70 2dhm s GLU 32 Cb -0.12 -2.79 0.12 0.00 0.02 0.00 0.00 34.13 31.36 2dhm s GLU 32 CO 0.20 0.02 1.13 -1.12 -1.84 0.00 0.00 175.26 173.65 2dhm s SER 33 N 0.87 3.83 -0.16 0.83 0.01 -1.26 -4.96 113.70 112.84 2dhm s SER 33 Ca -0.03 1.04 -0.03 0.00 1.31 0.00 0.00 55.95 58.24 2dhm s SER 33 Cb -0.15 -1.66 -0.02 0.00 0.21 0.00 0.00 66.02 64.40 2dhm s SER 33 CO 0.00 -2.36 -0.05 -0.72 0.41 0.00 0.00 173.24 170.52 2dhm s TYR 34 N -3.26 2.97 -0.18 2.43 1.13 -1.26 -5.00 117.35 114.18 2dhm s TYR 34 Ca 0.63 -0.47 -0.11 0.00 -1.41 0.00 0.00 57.07 55.70 2dhm s TYR 34 Cb -0.14 -1.97 -0.21 0.00 -1.10 0.00 0.00 41.96 38.53 2dhm s TYR 34 CO 0.53 -0.16 0.18 2.89 -2.51 0.00 0.00 175.55 176.48 2dhm n ARG 35 N 3.78 0.67 -1.34 -3.49 1.85 -1.26 -4.95 116.66 111.91 2dhm n ARG 35 Ca -0.18 0.35 -0.36 0.00 -1.00 0.00 0.00 57.85 56.67 2dhm n ARG 35 Cb 0.52 -1.68 0.07 0.00 -1.05 0.00 0.00 32.46 30.33 2dhm n ARG 35 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 2dhm n HIS 36 N -3.84 -0.05 -1.40 2.89 1.44 -1.26 -4.87 115.22 108.12 2dhm n HIS 36 Ca -0.36 0.38 -0.29 0.00 -2.01 0.00 0.00 57.72 55.44 2dhm n HIS 36 Cb 0.91 -2.00 0.02 0.00 0.12 0.00 0.00 29.99 29.03 2dhm n HIS 36 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 2dhm n ASN 37 N -0.86 6.99 -3.70 4.39 3.02 -1.26 -4.89 115.26 118.95 2dhm n ASN 37 Ca 0.12 -3.44 -0.14 0.00 -0.03 0.00 0.00 54.58 51.08 2dhm n ASN 37 Cb 0.49 -1.10 -0.08 0.00 -0.61 0.00 0.00 39.78 38.48 2dhm n ASN 37 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2dhm s VAL 38 N -3.46 0.03 -0.52 2.41 -7.23 -1.26 -5.11 120.40 105.25 2dhm s VAL 38 Ca 0.52 -0.26 -0.27 0.00 -1.81 0.00 0.00 61.98 60.16 2dhm s VAL 38 Cb 0.39 -0.69 -0.02 0.00 0.56 0.00 0.00 36.38 36.62 2dhm s VAL 38 CO -0.16 -0.14 1.81 -2.16 -0.31 0.00 0.00 175.10 174.13 2dhm s PRO 39 N -0.88 2.89 0.31 4.82 0.04 -1.26 -4.83 135.00 136.08 2dhm s PRO 39 Ca -0.09 0.84 0.25 0.00 0.04 0.00 0.00 61.00 62.04 2dhm s PRO 39 Cb -0.04 -4.31 0.57 0.00 0.04 0.00 0.00 34.50 30.77 2dhm s PRO 39 CO 0.04 -2.41 1.67 0.00 0.04 0.00 0.00 177.00 176.34 2dhm h ALA 40 N 14.07 0.97 -6.31 8.56 0.00 -1.99 -3.47 119.26 131.09 2dhm h ALA 40 Ca -0.28 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.18 2dhm h ALA 40 Cb 1.16 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.75 2dhm h ALA 40 CO 1.16 0.00 -0.68 0.41 0.00 0.00 0.00 179.25 180.14 2dhm n GLY 41 N 1.22 -0.16 3.52 0.00 0.00 -1.26 -4.85 105.19 103.66 2dhm n GLY 41 Ca 0.05 0.10 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 2dhm n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dhm s SER 42 N -3.48 -0.70 -0.46 1.61 1.04 -1.26 -4.91 113.70 105.54 2dhm s SER 42 Ca 0.22 1.01 -0.29 0.00 0.48 0.00 0.00 55.95 57.37 2dhm s SER 42 Cb -0.13 1.67 0.02 0.00 0.10 0.00 0.00 66.02 67.68 2dhm s SER 42 CO 0.72 -0.15 1.25 -1.61 0.98 0.00 0.00 173.24 174.44 2dhm s GLU 43 N 2.23 3.65 0.01 4.02 0.41 -1.26 -4.88 118.70 122.89 2dhm s GLU 43 Ca -0.05 0.70 -0.14 0.00 -0.41 0.00 0.00 54.97 55.07 2dhm s GLU 43 Cb -0.07 -3.96 -0.35 0.00 -1.78 0.00 0.00 34.13 27.98 2dhm s GLU 43 CO -0.17 -1.47 0.92 0.77 -0.49 0.00 0.00 175.26 174.81 2dhm h SER 44 N 9.86 0.79 -3.51 -0.19 0.02 -1.94 -3.43 113.55 115.15 2dhm h SER 44 Ca -0.25 -0.91 -0.63 0.00 -0.84 0.00 0.00 61.79 59.16 2dhm h SER 44 Cb 1.08 -0.26 -0.40 0.00 0.14 0.00 0.00 62.40 62.96 2dhm h SER 44 CO 1.11 1.73 -0.73 -1.00 -1.14 0.00 0.00 176.83 176.81 2dhm s HIS 45 N -2.60 2.90 -0.06 3.45 3.76 -1.26 -5.09 115.29 116.39 2dhm s HIS 45 Ca -0.11 -2.52 0.02 0.00 -0.15 0.00 0.00 55.06 52.30 2dhm s HIS 45 Cb 0.04 -2.43 0.02 0.00 1.11 0.00 0.00 32.58 31.32 2dhm s HIS 45 CO 0.92 -0.91 -0.10 0.12 -0.85 0.00 0.00 174.74 173.93 2dhm s PHE 46 N 1.09 1.26 -0.03 1.40 5.36 -1.26 -3.68 117.98 122.12 2dhm s PHE 46 Ca 0.11 -0.45 -0.06 0.00 -0.96 0.00 0.00 56.93 55.58 2dhm s PHE 46 Cb -0.19 -0.96 0.01 0.00 -0.34 0.00 0.00 43.02 41.54 2dhm s PHE 46 CO -0.14 -0.26 0.13 0.21 -1.46 0.00 0.00 175.22 173.70 2dhm s LYS 47 N 0.77 0.31 -0.03 10.12 2.20 -1.20 -2.02 119.74 129.89 2dhm s LYS 47 Ca -0.13 -0.11 0.01 0.00 -0.36 0.00 0.00 55.97 55.38 2dhm s LYS 47 Cb -0.15 0.13 0.02 0.00 -1.51 0.00 0.00 37.83 36.32 2dhm s LYS 47 CO 0.02 -0.06 -0.03 0.08 -0.36 0.00 0.00 175.35 175.00 2dhm s VAL 48 N -0.65 0.38 -0.31 4.02 1.01 -1.19 -0.80 120.40 122.85 2dhm s VAL 48 Ca -0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 2dhm s VAL 48 Cb -0.04 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.93 2dhm s VAL 48 CO 0.01 0.17 0.14 -0.69 0.00 0.00 0.00 175.10 174.73 2dhm s VAL 49 N 0.71 4.45 -0.22 2.92 1.01 0.12 -1.94 120.40 127.45 2dhm s VAL 49 Ca -0.08 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 2dhm s VAL 49 Cb -0.11 -3.30 0.07 0.00 0.00 0.00 0.00 36.38 33.04 2dhm s VAL 49 CO -0.01 0.04 0.03 -0.22 0.00 0.00 0.00 175.10 174.95 2dhm s LEU 50 N 1.58 1.53 -0.26 3.92 0.20 -1.22 -1.82 118.68 122.60 2dhm s LEU 50 Ca 0.04 -1.01 -0.15 0.00 0.69 0.00 0.00 54.13 53.69 2dhm s LEU 50 Cb -0.17 -0.71 -0.04 0.00 -0.43 0.00 0.00 46.19 44.84 2dhm s LEU 50 CO 0.05 -0.32 0.39 -0.69 -0.29 0.00 0.00 176.35 175.50 2dhm s VAL 51 N 1.76 5.17 -0.27 1.68 1.01 -1.21 -3.05 120.40 125.49 2dhm s VAL 51 Ca 0.00 0.61 -0.20 0.00 0.00 0.00 0.00 61.98 62.39 2dhm s VAL 51 Cb -0.17 -3.71 0.07 0.00 0.00 0.00 0.00 36.38 32.57 2dhm s VAL 51 CO -0.11 0.16 0.69 -0.55 0.00 0.00 0.00 175.10 175.28 2dhm s SER 52 N 1.58 -0.81 0.35 3.32 0.15 -0.89 -2.59 113.70 114.82 2dhm s SER 52 Ca 0.16 1.44 0.04 0.00 0.70 0.00 0.00 55.95 58.28 2dhm s SER 52 Cb -0.16 1.39 0.64 0.00 -1.71 0.00 0.00 66.02 66.18 2dhm s SER 52 CO 0.10 -0.24 1.94 -2.24 1.20 0.00 0.00 173.24 174.00 2dhm h ASP 53 N 5.88 0.59 -0.96 5.45 3.04 -1.96 -2.53 116.42 125.93 2dhm h ASP 53 Ca -0.30 -0.06 0.28 0.00 -3.24 0.00 0.00 57.03 53.71 2dhm h ASP 53 Cb 1.19 -0.15 -0.04 0.00 -1.04 0.00 0.00 39.33 39.29 2dhm h ASP 53 CO 0.11 0.53 1.18 0.03 -2.04 0.00 0.00 179.24 179.05 2dhm h ARG 54 N 0.65 0.00 -1.22 4.15 2.47 -1.97 1.10 114.38 119.56 2dhm h ARG 54 Ca 0.16 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.59 2dhm h ARG 54 Cb 0.12 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 28.30 2dhm h ARG 54 CO -0.02 0.00 0.37 1.19 0.56 0.00 0.00 179.97 182.07 2dhm n PHE 55 N -3.23 1.54 -0.04 3.04 3.01 -0.95 -4.24 117.46 116.58 2dhm n PHE 55 Ca 0.21 -1.53 -0.20 0.00 1.01 0.00 0.00 57.45 56.95 2dhm n PHE 55 Cb 1.47 -0.76 -0.13 0.00 -0.01 0.00 0.00 39.48 40.05 2dhm n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dhm h THR 56 N 0.71 1.19 -1.42 4.37 1.03 0.10 -3.41 112.91 115.49 2dhm h THR 56 Ca 0.31 -2.33 -0.52 0.00 -0.01 0.00 0.00 66.41 63.86 2dhm h THR 56 Cb 1.47 2.74 -0.41 0.00 -1.07 0.00 0.00 68.15 70.88 2dhm h THR 56 CO 0.65 0.56 -0.87 0.61 -0.01 0.00 0.00 175.52 176.46 2dhm n GLY 57 N 1.61 4.66 2.31 2.99 0.00 -1.26 -5.08 105.19 110.43 2dhm n GLY 57 Ca -0.23 -2.33 -0.16 0.00 0.00 0.00 0.00 46.02 43.30 2dhm n GLY 57 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dhm n GLU 58 N -0.33 -0.32 -4.28 1.61 -0.00 -1.26 -5.11 120.64 110.95 2dhm n GLU 58 Ca 0.30 -1.41 -0.27 0.00 -0.00 0.00 0.00 57.16 55.77 2dhm n GLU 58 Cb 0.69 -0.62 -0.09 0.00 -0.00 0.00 0.00 31.44 31.42 2dhm n GLU 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2dhm s ARG 59 N -4.39 2.07 0.20 3.44 6.06 -1.26 -4.98 118.95 120.09 2dhm s ARG 59 Ca 0.42 -1.22 -0.21 0.00 -2.50 0.00 0.00 55.73 52.23 2dhm s ARG 59 Cb -0.02 -2.19 0.15 0.00 0.06 0.00 0.00 34.95 32.96 2dhm s ARG 59 CO 0.29 0.45 1.56 0.74 -2.50 0.00 0.00 175.30 175.84 2dhm h PHE 60 N 3.05 -1.11 0.25 5.12 0.04 -2.01 0.69 116.94 122.97 2dhm h PHE 60 Ca -0.47 0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.38 2dhm h PHE 60 Cb 1.20 0.60 0.00 0.00 2.20 0.00 0.00 35.95 39.95 2dhm h PHE 60 CO 0.64 -0.40 -0.12 -0.07 -0.60 0.00 0.00 178.31 177.76 2dhm h LEU 61 N -0.09 -0.28 -0.85 1.54 4.07 -2.02 -3.28 115.31 114.39 2dhm h LEU 61 Ca 0.27 -0.03 0.33 0.00 0.08 0.00 0.00 57.88 58.53 2dhm h LEU 61 Cb 0.57 0.07 -0.13 0.00 1.08 0.00 0.00 40.66 42.25 2dhm h LEU 61 CO -0.84 0.19 0.49 -3.20 -1.08 0.00 0.00 178.44 174.00 2dhm n ASN 62 N -5.00 0.23 -0.38 -0.43 5.15 -1.06 0.12 115.26 113.89 2dhm n ASN 62 Ca -0.05 1.19 -0.01 0.00 -0.60 0.00 0.00 54.58 55.11 2dhm n ASN 62 Cb 0.15 -0.58 0.04 0.00 -0.53 0.00 0.00 39.78 38.86 2dhm n ASN 62 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2dhm n ARG 63 N -4.55 -0.23 -0.07 1.20 0.63 0.21 -0.92 116.66 112.93 2dhm n ARG 63 Ca 0.29 1.52 -0.11 0.00 -0.92 0.00 0.00 57.85 58.63 2dhm n ARG 63 Cb 1.04 -2.26 -0.10 0.00 0.45 0.00 0.00 32.46 31.59 2dhm n ARG 63 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2dhm h HIS 64 N 0.00 0.00 -0.75 -0.14 3.86 -0.54 -3.35 115.15 114.24 2dhm h HIS 64 Ca 0.34 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.74 2dhm h HIS 64 Cb 0.59 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.92 2dhm h HIS 64 CO -0.87 0.81 -0.05 0.54 0.86 0.00 0.00 177.93 179.23 2dhm n ARG 65 N -4.63 -0.06 0.13 2.45 1.74 -0.87 0.83 116.66 116.25 2dhm n ARG 65 Ca -0.09 1.13 -0.14 0.00 -0.77 0.00 0.00 57.85 57.98 2dhm n ARG 65 Cb 0.39 -1.76 -0.06 0.00 -1.02 0.00 0.00 32.46 30.01 2dhm n ARG 65 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 2dhm h MET 66 N 0.00 -0.55 0.36 5.56 2.86 -1.16 0.20 114.93 122.20 2dhm h MET 66 Ca 0.42 0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 58.08 2dhm h MET 66 Cb 0.81 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2dhm h MET 66 CO -0.72 -0.37 -0.17 0.82 1.06 0.00 0.00 176.91 177.53 2dhm h ILE 67 N -0.57 0.00 -0.89 -1.22 1.08 0.30 -3.26 117.51 112.93 2dhm h ILE 67 Ca 0.02 -0.26 0.17 0.00 -0.39 0.00 0.00 64.86 64.40 2dhm h ILE 67 Cb 0.59 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 34.17 2dhm h ILE 67 CO -0.17 0.00 -0.25 1.88 -0.69 0.00 0.00 178.15 178.92 2dhm h TYR 68 N -0.75 -0.59 -0.94 1.37 -1.99 -0.40 0.37 116.97 114.04 2dhm h TYR 68 Ca -0.05 0.08 0.26 0.00 2.00 0.00 0.00 58.73 61.03 2dhm h TYR 68 Cb 0.37 0.40 -0.17 0.00 2.00 0.00 0.00 36.73 39.33 2dhm h TYR 68 CO 0.05 -0.39 0.12 1.03 -0.00 0.00 0.00 178.16 178.97 2dhm h SER 69 N -0.01 -0.29 0.68 3.88 0.87 -0.66 1.93 113.55 119.96 2dhm h SER 69 Ca 0.41 0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 61.19 2dhm h SER 69 Cb 0.64 0.40 -0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2dhm h SER 69 CO -0.92 -0.30 -0.40 0.74 -0.53 0.00 0.00 176.83 175.42 2dhm h THR 70 N 0.07 0.19 -0.95 2.23 2.02 -0.30 -3.03 112.91 113.14 2dhm h THR 70 Ca 0.59 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 67.15 2dhm h THR 70 Cb 1.23 0.19 -0.30 0.00 -1.74 0.00 0.00 68.15 67.53 2dhm h THR 70 CO -0.82 0.00 0.63 0.18 0.37 0.00 0.00 175.52 175.88 2dhm n LEU 71 N -5.54 7.12 -0.14 2.58 4.32 0.00 -4.78 117.00 120.55 2dhm n LEU 71 Ca -0.14 -4.20 -0.06 0.00 -0.02 0.00 0.00 56.01 51.59 2dhm n LEU 71 Cb 0.43 -0.88 -0.05 0.00 -1.62 0.00 0.00 43.42 41.30 2dhm n LEU 71 CO 0.35 1.46 0.49 0.00 -1.22 0.00 0.00 177.39 178.48 2dhm h ALA 72 N 1.81 -0.37 0.07 -1.18 0.00 0.31 -1.46 119.26 118.44 2dhm h ALA 72 Ca 0.57 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 55.29 2dhm h ALA 72 Cb 1.26 1.07 -0.01 0.00 0.00 0.00 0.00 17.79 20.11 2dhm h ALA 72 CO 1.38 -0.53 -1.18 0.93 0.00 0.00 0.00 179.25 179.85 2dhm h GLU 73 N -0.08 0.14 -0.82 0.00 4.39 -1.86 -3.20 114.58 113.16 2dhm h GLU 73 Ca 0.06 -0.24 0.11 0.00 0.34 0.00 0.00 59.36 59.63 2dhm h GLU 73 Cb 0.23 0.09 -0.12 0.00 -0.10 0.00 0.00 28.75 28.85 2dhm h GLU 73 CO -0.37 1.11 -0.38 0.39 -1.16 0.00 0.00 179.01 178.60 2dhm n GLU 74 N -4.15 -0.26 -0.12 2.33 -0.58 -1.21 0.73 120.64 117.39 2dhm n GLU 74 Ca -0.25 1.25 -0.13 0.00 -0.42 0.00 0.00 57.16 57.61 2dhm n GLU 74 Cb 0.78 -1.85 -0.02 0.00 -0.57 0.00 0.00 31.44 29.79 2dhm n GLU 74 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 2dhm h LEU 75 N 0.00 1.00 -1.51 -4.62 8.10 -1.44 -3.03 115.31 113.81 2dhm h LEU 75 Ca 0.22 -0.46 0.29 0.00 0.11 0.00 0.00 57.88 58.04 2dhm h LEU 75 Cb 0.43 -0.28 -0.08 0.00 -0.44 0.00 0.00 40.66 40.28 2dhm h LEU 75 CO -0.80 1.26 0.71 -1.28 -4.11 0.00 0.00 178.44 174.22 2dhm h SER 76 N 0.76 0.34 -0.17 0.17 0.87 0.32 0.96 113.55 116.80 2dhm h SER 76 Ca 0.06 0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.70 2dhm h SER 76 Cb 0.98 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 2dhm h SER 76 CO 0.10 0.06 -0.10 0.41 -0.53 0.00 0.00 176.83 176.76 2dhm n THR 77 N -4.53 -0.12 0.00 2.23 -1.04 -0.25 -4.02 114.28 106.55 2dhm n THR 77 Ca 0.25 1.44 0.00 0.00 -2.04 0.00 0.00 64.05 63.70 2dhm n THR 77 Cb 0.97 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 2dhm n THR 77 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2dhm n THR 78 N -3.30 0.00 -2.89 12.58 5.66 -1.02 -5.03 114.28 120.28 2dhm n THR 78 Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.61 2dhm n THR 78 Cb 0.04 -0.61 -0.06 0.00 -1.55 0.00 0.00 70.33 68.15 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 -1.98 4.34 0.02 1.08 1.01 0.33 -4.12 120.40 121.08 2dhm s VAL 79 Ca 0.00 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.82 2dhm s VAL 79 Cb 0.00 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2dhm s VAL 79 CO 0.00 0.48 0.00 1.57 0.00 0.00 0.00 175.10 177.15 2dhm n HIS 80 N 1.82 -0.09 -4.51 5.22 -0.00 -1.26 -3.34 115.22 113.06 2dhm n HIS 80 Ca -0.03 0.02 -0.30 0.00 0.46 0.00 0.00 57.72 57.86 2dhm n HIS 80 Cb 0.48 0.10 -0.13 0.00 -0.12 0.00 0.00 29.99 30.33 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 -2.00 2.49 -0.08 1.57 0.00 -1.26 -5.03 121.76 117.45 2dhm s ALA 81 Ca 0.00 -1.35 -0.20 0.00 0.00 0.00 0.00 51.96 50.42 2dhm s ALA 81 Cb 0.00 -0.55 0.04 0.00 0.00 0.00 0.00 23.12 22.62 2dhm s ALA 81 CO 0.00 0.56 0.47 -1.17 0.00 0.00 0.00 175.76 175.62 2dhm s LEU 82 N -1.81 0.22 -0.75 0.00 2.96 -1.26 -4.72 118.68 113.31 2dhm s LEU 82 Ca 0.15 0.55 -0.12 0.00 -0.22 0.00 0.00 54.13 54.49 2dhm s LEU 82 Cb -0.10 1.74 0.20 0.00 0.50 0.00 0.00 46.19 48.52 2dhm s LEU 82 CO 0.06 -0.40 0.67 0.00 -1.32 0.00 0.00 176.35 175.36 2dhm s ALA 83 N -0.77 3.93 -0.31 5.97 0.00 -0.85 -5.03 121.76 124.69 2dhm s ALA 83 Ca -0.08 -3.21 -0.29 0.00 0.00 0.00 0.00 51.96 48.38 2dhm s ALA 83 Cb -0.03 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 2dhm s ALA 83 CO 0.05 -2.21 1.41 -0.51 0.00 0.00 0.00 175.76 174.49 2dhm s LEU 84 N 0.30 3.80 -0.99 0.00 1.43 -1.26 -3.20 118.68 118.75 2dhm s LEU 84 Ca 0.16 1.19 -0.05 0.00 -1.03 0.00 0.00 54.13 54.41 2dhm s LEU 84 Cb -0.14 -3.54 0.25 0.00 0.03 0.00 0.00 46.19 42.79 2dhm s LEU 84 CO -0.06 -1.22 0.94 1.41 0.23 0.00 0.00 176.35 177.64 2dhm n HIS 85 N 8.17 4.62 -2.97 0.29 8.25 -0.82 -5.01 115.22 127.77 2dhm n HIS 85 Ca 0.16 -4.02 -0.41 0.00 -0.26 0.00 0.00 57.72 53.20 2dhm n HIS 85 Cb 0.47 -1.37 -0.05 0.00 1.12 0.00 0.00 29.99 30.16 2dhm n HIS 85 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2dhm s THR 86 N -1.39 4.94 0.17 1.59 -4.23 -1.26 -3.45 115.64 112.00 2dhm s THR 86 Ca 0.29 1.50 0.09 0.00 -1.18 0.00 0.00 61.69 62.40 2dhm s THR 86 Cb -0.08 -4.08 -0.04 0.00 1.34 0.00 0.00 72.50 69.64 2dhm s THR 86 CO -0.10 0.09 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.55 2dhm s TYR 87 N 1.81 1.98 -0.05 3.99 1.51 -1.17 -5.02 117.35 120.39 2dhm s TYR 87 Ca 0.36 -0.43 -0.10 0.00 -1.01 0.00 0.00 57.07 55.90 2dhm s TYR 87 Cb -0.17 -1.00 -0.05 0.00 -0.11 0.00 0.00 41.96 40.64 2dhm s TYR 87 CO 0.13 0.37 0.26 0.95 -1.11 0.00 0.00 175.55 176.16 2dhm s THR 88 N -1.80 5.29 0.41 -0.71 -4.23 -1.26 -2.10 115.64 111.24 2dhm s THR 88 Ca 0.16 0.45 0.27 0.00 -1.18 0.00 0.00 61.69 61.39 2dhm s THR 88 Cb -0.07 -3.54 0.43 0.00 1.34 0.00 0.00 72.50 70.66 2dhm s THR 88 CO 0.07 0.57 1.56 -0.38 -0.54 0.00 0.00 174.62 175.90 2dhm n ILE 89 N 1.79 -0.33 0.08 2.99 -0.00 -1.26 0.71 119.36 123.35 2dhm n ILE 89 Ca -0.16 1.90 -0.13 0.00 -0.00 0.00 0.00 62.75 64.35 2dhm n ILE 89 Cb 0.54 -3.09 -0.08 0.00 -0.00 0.00 0.00 39.64 37.00 2dhm n ILE 89 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 2dhm h LYS 90 N 0.00 -0.15 0.30 0.38 1.79 -1.99 0.29 116.57 117.19 2dhm h LYS 90 Ca 0.86 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 59.34 2dhm h LYS 90 Cb 2.56 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 33.23 2dhm h LYS 90 CO -0.60 0.02 -0.25 0.93 -1.08 0.00 0.00 179.45 178.47 2dhm h GLU 91 N -0.30 -0.55 -0.49 3.15 5.08 -0.09 -2.86 114.58 118.52 2dhm h GLU 91 Ca -0.02 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2dhm h GLU 91 Cb 0.25 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2dhm h GLU 91 CO 0.03 -0.37 0.32 2.35 -1.00 0.00 0.00 179.01 180.34 2dhm h TRP 92 N -0.57 0.60 -0.91 4.33 -0.00 -1.31 0.17 115.95 118.27 2dhm h TRP 92 Ca -0.02 0.02 0.35 0.00 -0.00 0.00 0.00 58.89 59.23 2dhm h TRP 92 Cb 0.51 -0.20 -0.16 0.00 -0.00 0.00 0.00 29.16 29.30 2dhm h TRP 92 CO -0.15 0.37 0.37 0.39 -0.00 0.00 0.00 178.44 179.43 2dhm n GLU 93 N -4.76 -0.06 -2.80 2.65 -0.58 0.10 -3.21 120.64 111.98 2dhm n GLU 93 Ca 0.02 1.28 -0.10 0.00 -0.42 0.00 0.00 57.16 57.94 2dhm n GLU 93 Cb 0.03 -2.23 0.05 0.00 -0.57 0.00 0.00 31.44 28.73 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 -1.29 0.69 0.13 0.62 0.00 -0.97 -4.99 105.19 99.38 2dhm n GLY 94 Ca 0.31 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 3.50 0.37 -4.24 0.99 5.85 -0.63 -3.23 115.31 117.91 2dhm h LEU 95 Ca -0.10 -0.49 -0.69 0.00 0.84 0.00 0.00 57.88 57.45 2dhm h LEU 95 Cb 1.05 -0.10 -0.30 0.00 0.37 0.00 0.00 40.66 41.67 2dhm h LEU 95 CO 0.26 0.78 0.69 0.00 -0.34 0.00 0.00 178.44 179.84 2dhm n GLN 96 N -4.56 2.83 -4.51 1.25 1.13 -1.26 -4.97 117.38 107.29 2dhm n GLN 96 Ca -0.06 -3.48 -0.25 0.00 -1.94 0.00 0.00 57.00 51.27 2dhm n GLN 96 Cb 0.36 -2.28 -0.10 0.00 0.11 0.00 0.00 30.24 28.33 2dhm n GLN 96 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2dhm s ASP 97 N -1.89 3.47 -0.40 1.08 1.01 -1.22 -5.12 116.67 113.61 2dhm s ASP 97 Ca 0.60 -1.18 -0.07 0.00 0.71 0.00 0.00 52.55 52.61 2dhm s ASP 97 Cb 0.48 -0.30 0.07 0.00 1.01 0.00 0.00 42.92 44.19 2dhm s ASP 97 CO -0.11 -0.21 0.21 0.42 0.21 0.00 0.00 175.17 175.68 2dhm s THR 98 N -2.70 3.93 0.17 -1.27 -4.23 -1.26 -5.08 115.64 105.20 2dhm s THR 98 Ca 0.31 -1.45 -0.30 0.00 -1.18 0.00 0.00 61.69 59.08 2dhm s THR 98 Cb 0.02 -3.41 -0.08 0.00 1.34 0.00 0.00 72.50 70.38 2dhm s THR 98 CO 0.15 -0.45 1.17 -0.69 -0.54 0.00 0.00 174.62 174.26 2dhm s VAL 99 N 1.37 3.70 -0.09 2.29 1.01 -1.26 -4.94 120.40 122.48 2dhm s VAL 99 Ca 0.02 1.41 -0.03 0.00 0.00 0.00 0.00 61.98 63.39 2dhm s VAL 99 Cb -0.22 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2dhm s VAL 99 CO 0.01 0.22 -0.10 0.33 0.00 0.00 0.00 175.10 175.56 2dhm n PHE 100 N 2.63 0.00 -3.88 5.22 7.35 -1.26 -5.01 117.46 122.51 2dhm n PHE 100 Ca 0.04 0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.38 2dhm n PHE 100 Cb 0.45 -0.32 -0.08 0.00 0.35 0.00 0.00 39.48 39.88 2dhm n PHE 100 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dhm s ALA 101 N -2.16 3.62 0.04 3.13 0.00 -1.26 -5.10 121.76 120.03 2dhm s ALA 101 Ca -0.12 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.15 2dhm s ALA 101 Cb 0.04 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 2dhm s ALA 101 CO 0.17 0.28 -0.06 -1.54 0.00 0.00 0.00 175.76 174.61 2dhm s SER 102 N 0.01 0.68 0.25 0.00 1.04 -1.26 -5.14 113.70 109.28 2dhm s SER 102 Ca 0.08 -0.56 -0.30 0.00 0.48 0.00 0.00 55.95 55.65 2dhm s SER 102 Cb -0.12 0.06 -0.09 0.00 0.10 0.00 0.00 66.02 65.97 2dhm s SER 102 CO 0.00 -0.25 1.27 -2.16 0.98 0.00 0.00 173.24 173.08 2dhm s PRO 103 N -1.68 4.43 0.93 4.02 0.04 -1.26 -5.02 135.00 136.45 2dhm s PRO 103 Ca -0.11 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.87 2dhm s PRO 103 Cb -0.09 -3.16 0.15 0.00 0.04 0.00 0.00 34.50 31.44 2dhm s PRO 103 CO -0.00 -0.14 1.09 -1.25 0.04 0.00 0.00 177.00 176.74 2dhm s PRO 104 N -0.87 0.99 0.51 0.56 0.04 -1.26 -4.94 135.00 130.03 2dhm s PRO 104 Ca 0.52 0.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.10 2dhm s PRO 104 Cb -0.36 -1.78 -0.14 0.00 0.04 0.00 0.00 34.50 32.25 2dhm s PRO 104 CO 0.43 -2.40 -0.01 0.00 0.04 0.00 0.00 177.00 175.06 2dhm s ARG 106 N -1.20 2.58 0.00 0.00 3.00 -1.26 -5.32 118.95 116.76 2dhm s ARG 106 Ca 0.59 -0.81 0.00 0.00 -1.00 0.00 0.00 55.73 54.51 2dhm s ARG 106 Cb -0.49 -2.56 0.00 0.00 0.00 0.00 0.00 34.95 31.90 2dhm s ARG 106 CO 0.64 0.55 0.00 0.41 0.00 0.00 0.00 175.30 176.90