#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhm n SER 2 N 0.00 5.22 -4.43 1.61 7.64 -1.26 -4.93 113.62 117.46 2dhm n SER 2 Ca 0.00 -3.75 -0.39 0.00 1.01 0.00 0.00 58.87 55.74 2dhm n SER 2 Cb 0.00 -0.44 -0.07 0.00 -1.01 0.00 0.00 64.21 62.69 2dhm n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dhm n SER 3 N -0.68 -1.47 0.00 6.43 3.41 -1.26 -4.54 113.62 115.51 2dhm n SER 3 Ca 0.45 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 2dhm n SER 3 Cb 0.87 -1.83 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 2dhm n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dhm n GLY 4 N -1.44 1.68 3.37 5.00 0.00 -1.26 -5.06 105.19 107.47 2dhm n GLY 4 Ca 0.01 -0.31 -0.45 0.00 0.00 0.00 0.00 46.02 45.27 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 6.17 -1.56 1.61 1.04 -1.26 -4.50 113.70 115.20 2dhm s SER 5 Ca 0.00 -1.41 -0.11 0.00 0.48 0.00 0.00 55.95 54.92 2dhm s SER 5 Cb 0.00 -2.21 0.09 0.00 0.10 0.00 0.00 66.02 64.00 2dhm s SER 5 CO 0.00 -0.75 0.69 -1.20 0.98 0.00 0.00 173.24 172.97 2dhm n SER 6 N 5.37 -2.48 -4.94 7.02 7.64 -1.26 -4.95 113.62 120.02 2dhm n SER 6 Ca -0.12 -0.96 -0.20 0.00 1.01 0.00 0.00 58.87 58.60 2dhm n SER 6 Cb 0.43 -3.11 0.06 0.00 -1.01 0.00 0.00 64.21 60.57 2dhm n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dhm s GLY 7 N -3.70 1.79 -0.17 0.23 0.00 -1.26 -5.05 107.32 99.15 2dhm s GLY 7 Ca 0.45 -1.86 0.19 0.00 0.00 0.00 0.00 44.72 43.50 2dhm s GLY 7 CO 0.89 -1.45 1.16 1.15 0.00 0.00 0.00 173.10 174.85 2dhm n MET 8 N -2.31 1.48 -2.55 2.90 -0.00 -1.26 -5.09 117.12 110.29 2dhm n MET 8 Ca 0.13 -3.11 -0.38 0.00 -0.00 0.00 0.00 57.70 54.33 2dhm n MET 8 Cb 0.61 -1.21 -0.04 0.00 -0.00 0.00 0.00 33.22 32.57 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 -2.48 4.46 0.02 3.17 1.00 -1.26 -4.97 119.30 119.25 2dhm s MET 9 Ca 0.35 1.63 -0.07 0.00 0.00 0.00 0.00 55.69 57.59 2dhm s MET 9 Cb 0.36 -2.91 -0.30 0.00 0.00 0.00 0.00 34.83 31.98 2dhm s MET 9 CO -0.07 0.10 0.94 0.82 0.00 0.00 0.00 175.02 176.81 2dhm h ILE 10 N 2.70 1.25 -0.04 2.53 1.08 -1.98 -3.27 117.51 119.78 2dhm h ILE 10 Ca -0.47 -2.81 0.01 0.00 -0.39 0.00 0.00 64.86 61.19 2dhm h ILE 10 Cb 1.21 2.88 -0.01 0.00 -3.07 0.00 0.00 36.82 37.83 2dhm h ILE 10 CO 0.65 0.84 -0.09 -0.09 -0.69 0.00 0.00 178.15 178.77 2dhm h ARG 11 N 0.09 -0.09 -0.78 2.37 2.43 -1.99 0.14 114.38 116.55 2dhm h ARG 11 Ca -0.23 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.10 2dhm h ARG 11 Cb 2.05 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 31.52 2dhm h ARG 11 CO 0.20 -0.06 0.30 1.05 -1.51 0.00 0.00 179.97 179.96 2dhm h GLU 12 N -0.09 0.40 -0.85 0.20 4.11 -1.98 0.41 114.58 116.78 2dhm h GLU 12 Ca 0.01 -0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.52 2dhm h GLU 12 Cb 0.11 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.19 2dhm h GLU 12 CO -0.08 0.27 0.49 0.00 0.07 0.00 0.00 179.01 179.76 2dhm h ARG 13 N 0.42 0.77 0.00 1.06 3.08 -1.39 0.26 114.38 118.58 2dhm h ARG 13 Ca 0.44 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.45 2dhm h ARG 13 Cb 0.72 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2dhm h ARG 13 CO -0.44 0.51 0.00 -0.89 -1.07 0.00 0.00 179.97 178.08 2dhm n ILE 14 N -4.74 0.00 -0.08 2.04 5.41 0.40 -3.30 119.36 119.09 2dhm n ILE 14 Ca 0.15 1.37 -0.08 0.00 1.00 0.00 0.00 62.75 65.19 2dhm n ILE 14 Cb 0.31 -2.37 -0.02 0.00 -0.71 0.00 0.00 39.64 36.86 2dhm n ILE 14 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2dhm h GLU 15 N 0.00 -0.26 -1.08 0.38 5.08 -1.40 -0.06 114.58 117.24 2dhm h GLU 15 Ca 0.00 0.02 0.36 0.00 -1.00 0.00 0.00 59.36 58.74 2dhm h GLU 15 Cb 0.00 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.21 2dhm h GLU 15 CO 0.00 -0.17 0.71 0.39 -1.00 0.00 0.00 179.01 178.94 2dhm n GLU 16 N -5.40 -0.02 -0.04 2.33 1.02 0.92 -0.63 120.64 118.82 2dhm n GLU 16 Ca 0.00 0.89 -0.01 0.00 -0.02 0.00 0.00 57.16 58.02 2dhm n GLU 16 Cb 0.32 -1.80 -0.00 0.00 -0.02 0.00 0.00 31.44 29.94 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 -1.00 3.49 1.57 -1.01 -3.36 116.57 116.26 2dhm h LYS 17 Ca 0.65 0.00 0.37 0.00 -1.87 0.00 0.00 60.65 59.79 2dhm h LYS 17 Cb 2.18 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 34.37 2dhm h LYS 17 CO -0.28 0.00 0.62 1.28 -0.57 0.00 0.00 179.45 180.49 2dhm n LEU 18 N -3.76 0.20 -0.15 2.94 4.77 0.20 0.98 117.00 122.18 2dhm n LEU 18 Ca -0.02 1.17 -0.04 0.00 -0.03 0.00 0.00 56.01 57.09 2dhm n LEU 18 Cb 0.08 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 40.62 2dhm n LEU 18 CO 0.03 -1.29 0.72 0.03 -1.33 0.00 0.00 177.39 175.55 2dhm h ARG 19 N 0.00 -0.08 0.00 3.23 3.08 -1.27 -1.82 114.38 117.51 2dhm h ARG 19 Ca 0.69 0.01 -0.14 0.00 0.07 0.00 0.00 59.98 60.61 2dhm h ARG 19 Cb 2.11 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 32.15 2dhm h ARG 19 CO -0.45 -0.06 -1.46 0.00 -1.07 0.00 0.00 179.97 176.94 2dhm n ALA 20 N -2.94 2.08 0.24 0.04 0.00 0.28 -2.16 120.51 118.05 2dhm n ALA 20 Ca 0.04 -0.54 -0.17 0.00 0.00 0.00 0.00 53.44 52.77 2dhm n ALA 20 Cb 0.30 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 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 1.55 -1.11 0.00 0.00 0.00 0.03 -3.38 119.26 116.35 2dhm h ALA 21 Ca -0.15 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 2dhm h ALA 21 Cb 1.47 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 20.01 2dhm h ALA 21 CO 0.03 -1.16 -1.34 1.19 0.00 0.00 0.00 179.25 177.98 2dhm n PHE 22 N -5.40 0.00 -2.64 0.00 3.72 -0.74 -5.04 117.46 107.36 2dhm n PHE 22 Ca -0.11 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.21 2dhm n PHE 22 Cb 0.44 -0.23 0.04 0.00 -0.94 0.00 0.00 39.48 38.79 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 -2.46 -2.73 0.00 -1.08 6.02 -0.92 -5.04 117.38 111.17 2dhm n GLN 23 Ca -0.09 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 2dhm n GLN 23 Cb 0.63 -4.10 0.00 0.00 1.02 0.00 0.00 30.24 27.79 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 -2.56 -0.62 -0.05 -1.09 -0.04 -1.26 -5.01 135.00 124.37 2dhm n PRO 24 Ca -0.11 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2dhm n PRO 24 Cb 0.58 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.90 2dhm n PRO 24 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2dhm n VAL 25 N -2.11 0.65 -4.32 0.52 0.24 -0.96 -4.99 118.33 107.36 2dhm n VAL 25 Ca 0.00 -0.61 -0.24 0.00 -2.04 0.00 0.00 64.34 61.46 2dhm n VAL 25 Cb 0.00 -0.25 -0.12 0.00 -1.47 0.00 0.00 33.84 32.00 2dhm n VAL 25 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2dhm s PHE 26 N -2.86 1.86 -0.28 6.34 5.36 -1.23 -5.00 117.98 122.17 2dhm s PHE 26 Ca -0.08 -0.43 -0.15 0.00 -0.96 0.00 0.00 56.93 55.31 2dhm s PHE 26 Cb 0.09 -0.98 0.09 0.00 -0.34 0.00 0.00 43.02 41.88 2dhm s PHE 26 CO 0.76 0.28 0.71 -1.17 -1.46 0.00 0.00 175.22 174.34 2dhm s LEU 27 N -2.24 -0.94 -0.29 6.12 2.96 -1.26 -3.51 118.68 119.51 2dhm s LEU 27 Ca 0.11 1.48 -0.15 0.00 -0.22 0.00 0.00 54.13 55.35 2dhm s LEU 27 Cb -0.08 2.33 0.15 0.00 0.50 0.00 0.00 46.19 49.09 2dhm s LEU 27 CO 0.06 -0.23 0.92 -0.70 -1.32 0.00 0.00 176.35 175.07 2dhm s GLU 28 N 1.78 0.40 0.06 1.98 2.56 -1.03 -5.01 118.70 119.44 2dhm s GLU 28 Ca -0.09 0.83 0.09 0.00 0.00 0.00 0.00 54.97 55.79 2dhm s GLU 28 Cb -0.06 0.31 -0.03 0.00 2.00 0.00 0.00 34.13 36.35 2dhm s GLU 28 CO -0.20 -0.11 -0.25 0.08 -0.56 0.00 0.00 175.26 174.23 2dhm s VAL 29 N 1.96 2.02 -0.39 3.70 1.01 -1.26 -0.01 120.40 127.44 2dhm s VAL 29 Ca -0.06 -1.42 -0.05 0.00 0.00 0.00 0.00 61.98 60.45 2dhm s VAL 29 Cb -0.06 -1.75 0.08 0.00 0.00 0.00 0.00 36.38 34.65 2dhm s VAL 29 CO -0.17 0.26 0.18 -0.69 0.00 0.00 0.00 175.10 174.68 2dhm s VAL 30 N -0.87 3.61 -0.20 2.92 1.01 0.85 -5.00 120.40 122.73 2dhm s VAL 30 Ca 0.11 -1.62 -0.09 0.00 0.00 0.00 0.00 61.98 60.38 2dhm s VAL 30 Cb -0.10 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 2dhm s VAL 30 CO 0.03 -0.47 0.11 -0.62 0.00 0.00 0.00 175.10 174.15 2dhm s ASP 31 N 1.80 6.08 -0.33 3.32 2.15 -1.26 -3.22 116.67 125.21 2dhm s ASP 31 Ca 0.03 0.20 -0.10 0.00 0.43 0.00 0.00 52.55 53.11 2dhm s ASP 31 Cb -0.22 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 2dhm s ASP 31 CO -0.01 0.18 0.16 -1.61 -0.17 0.00 0.00 175.17 173.73 2dhm s GLU 32 N 0.35 3.20 0.13 4.34 0.41 -1.25 -5.08 118.70 120.80 2dhm s GLU 32 Ca 0.07 -0.82 -0.28 0.00 -0.41 0.00 0.00 54.97 53.53 2dhm s GLU 32 Cb -0.11 -3.60 -0.07 0.00 -1.78 0.00 0.00 34.13 28.57 2dhm s GLU 32 CO -0.02 -0.49 0.89 -1.12 -0.49 0.00 0.00 175.26 174.04 2dhm s SER 33 N 1.59 7.45 -0.39 -0.19 0.01 -1.26 -5.00 113.70 115.92 2dhm s SER 33 Ca 0.04 1.73 -0.29 0.00 1.31 0.00 0.00 55.95 58.74 2dhm s SER 33 Cb -0.18 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.51 2dhm s SER 33 CO 0.06 0.03 1.30 -0.31 0.41 0.00 0.00 173.24 174.73 2dhm s TYR 34 N -0.39 2.62 0.00 2.43 2.02 -1.26 -4.79 117.35 117.98 2dhm s TYR 34 Ca 0.43 0.77 0.00 0.00 -0.37 0.00 0.00 57.07 57.89 2dhm s TYR 34 Cb -0.23 -4.19 0.00 0.00 -0.40 0.00 0.00 41.96 37.14 2dhm s TYR 34 CO 0.28 -1.68 0.00 2.89 -1.57 0.00 0.00 175.55 175.48 2dhm n ARG 35 N 7.74 0.00 -4.33 -0.62 1.85 -1.26 -5.08 116.66 114.96 2dhm n ARG 35 Ca 0.15 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.73 2dhm n ARG 35 Cb 0.48 -0.75 -0.10 0.00 -1.05 0.00 0.00 32.46 31.03 2dhm n ARG 35 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 2dhm s HIS 36 N -1.93 2.54 -0.00 2.89 -3.43 -1.26 -5.07 115.29 109.03 2dhm s HIS 36 Ca 0.00 -0.26 -0.30 0.00 -0.80 0.00 0.00 55.06 53.71 2dhm s HIS 36 Cb 0.00 -1.25 -0.08 0.00 -1.43 0.00 0.00 32.58 29.82 2dhm s HIS 36 CO 0.00 0.51 2.01 -0.80 -2.00 0.00 0.00 174.74 174.46 2dhm s ASN 37 N -2.79 6.29 0.08 7.38 0.01 -1.26 -4.98 114.94 119.67 2dhm s ASN 37 Ca 0.24 2.56 0.06 0.00 -0.71 0.00 0.00 52.86 55.01 2dhm s ASN 37 Cb -0.09 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.02 2dhm s ASN 37 CO 0.14 -1.20 -0.17 0.68 -1.51 0.00 0.00 177.10 175.04 2dhm s VAL 38 N 5.08 1.33 0.82 1.60 -7.23 -1.26 -5.16 120.40 115.58 2dhm s VAL 38 Ca 0.91 -1.39 -0.14 0.00 -1.81 0.00 0.00 61.98 59.55 2dhm s VAL 38 Cb -0.41 -1.24 0.20 0.00 0.56 0.00 0.00 36.38 35.49 2dhm s VAL 38 CO 0.41 -0.16 0.73 -0.81 -0.31 0.00 0.00 175.10 174.96 2dhm n PRO 39 N 1.21 -2.45 -1.39 4.82 -0.04 -1.26 -4.91 135.00 130.99 2dhm n PRO 39 Ca -0.21 -1.17 -0.46 0.00 -0.04 0.00 0.00 63.50 61.62 2dhm n PRO 39 Cb 0.54 -1.10 -0.02 0.00 -0.04 0.00 0.00 33.50 32.88 2dhm n PRO 39 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dhm n ALA 40 N -4.26 -2.69 -1.40 0.55 0.00 -1.26 -4.74 120.51 106.71 2dhm n ALA 40 Ca -0.14 0.34 -0.39 0.00 0.00 0.00 0.00 53.44 53.25 2dhm n ALA 40 Cb 0.39 -1.61 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 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 2.03 4.16 0.12 0.00 0.00 -1.26 -4.48 105.19 105.76 2dhm n GLY 41 Ca 0.15 -1.47 -0.21 0.00 0.00 0.00 0.00 46.02 44.49 2dhm n GLY 41 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dhm h SER 42 N 5.53 0.29 -1.75 1.61 0.02 -2.02 -3.44 113.55 113.79 2dhm h SER 42 Ca 0.73 -0.81 -0.15 0.00 -0.84 0.00 0.00 61.79 60.72 2dhm h SER 42 Cb 0.40 -0.10 0.09 0.00 0.14 0.00 0.00 62.40 62.94 2dhm h SER 42 CO 1.80 1.58 -0.07 1.21 -1.14 0.00 0.00 176.83 180.21 2dhm n GLU 43 N -4.02 -2.88 -2.43 3.45 2.13 -1.26 -4.78 120.64 110.85 2dhm n GLU 43 Ca -0.26 -0.61 -0.38 0.00 0.66 0.00 0.00 57.16 56.57 2dhm n GLU 43 Cb 0.85 -0.83 -0.02 0.00 0.27 0.00 0.00 31.44 31.71 2dhm n GLU 43 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2dhm s SER 44 N -2.37 6.28 0.00 4.31 0.01 -1.26 -4.67 113.70 116.00 2dhm s SER 44 Ca 0.28 -2.00 0.26 0.00 1.31 0.00 0.00 55.95 55.80 2dhm s SER 44 Cb -0.05 -2.58 0.70 0.00 0.21 0.00 0.00 66.02 64.30 2dhm s SER 44 CO 0.23 -1.74 1.53 1.57 0.41 0.00 0.00 173.24 175.25 2dhm n HIS 45 N 10.12 0.00 -3.67 2.43 -0.00 -1.26 -4.84 115.22 118.01 2dhm n HIS 45 Ca 0.45 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.55 2dhm n HIS 45 Cb 0.47 -0.15 -0.09 0.00 -0.12 0.00 0.00 29.99 30.11 2dhm n HIS 45 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 2dhm s PHE 46 N -2.60 -0.85 -0.02 1.57 5.36 -1.26 -3.85 117.98 116.33 2dhm s PHE 46 Ca 0.22 1.70 -0.00 0.00 -0.96 0.00 0.00 56.93 57.89 2dhm s PHE 46 Cb 0.19 0.45 0.02 0.00 -0.34 0.00 0.00 43.02 43.34 2dhm s PHE 46 CO 0.56 -0.45 0.03 0.21 -1.46 0.00 0.00 175.22 174.10 2dhm s LYS 47 N 1.77 -0.02 -0.08 10.12 2.20 -1.20 -1.81 119.74 130.73 2dhm s LYS 47 Ca -0.08 0.15 0.03 0.00 -0.36 0.00 0.00 55.97 55.71 2dhm s LYS 47 Cb -0.08 -0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.07 2dhm s LYS 47 CO -0.16 -0.12 -0.19 0.08 -0.36 0.00 0.00 175.35 174.61 2dhm s VAL 48 N 0.78 1.63 -0.16 4.02 1.01 -1.20 -0.10 120.40 126.37 2dhm s VAL 48 Ca -0.06 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 2dhm s VAL 48 Cb -0.09 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2dhm s VAL 48 CO -0.02 0.46 -0.05 -0.69 0.00 0.00 0.00 175.10 174.80 2dhm s VAL 49 N 0.46 3.68 -0.19 2.92 1.01 0.99 -2.26 120.40 127.01 2dhm s VAL 49 Ca -0.16 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 2dhm s VAL 49 Cb -0.17 -2.62 0.08 0.00 0.00 0.00 0.00 36.38 33.67 2dhm s VAL 49 CO 0.06 0.48 0.15 -0.22 0.00 0.00 0.00 175.10 175.57 2dhm s LEU 50 N 0.56 0.17 -0.26 3.92 0.20 -1.26 -2.48 118.68 119.55 2dhm s LEU 50 Ca -0.04 -0.52 -0.13 0.00 0.69 0.00 0.00 54.13 54.13 2dhm s LEU 50 Cb -0.15 0.00 -0.04 0.00 -0.43 0.00 0.00 46.19 45.57 2dhm s LEU 50 CO 0.03 -0.35 0.30 -0.69 -0.29 0.00 0.00 176.35 175.35 2dhm s VAL 51 N 2.21 5.24 0.05 1.68 1.01 -1.23 -2.66 120.40 126.70 2dhm s VAL 51 Ca 0.04 0.44 -0.16 0.00 0.00 0.00 0.00 61.98 62.30 2dhm s VAL 51 Cb -0.16 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.62 2dhm s VAL 51 CO -0.13 0.22 0.36 -0.55 0.00 0.00 0.00 175.10 175.01 2dhm s SER 52 N 1.47 -0.21 0.08 3.32 0.15 -0.53 -2.28 113.70 115.71 2dhm s SER 52 Ca 0.13 -0.13 -0.04 0.00 0.70 0.00 0.00 55.95 56.61 2dhm s SER 52 Cb -0.15 0.40 -0.26 0.00 -1.71 0.00 0.00 66.02 64.30 2dhm s SER 52 CO 0.09 -0.67 1.16 -0.78 1.20 0.00 0.00 173.24 174.25 2dhm h ASP 53 N 3.01 0.43 -1.51 5.45 3.58 -1.95 -3.29 116.42 122.14 2dhm h ASP 53 Ca -0.32 -0.45 0.44 0.00 0.42 0.00 0.00 57.03 57.13 2dhm h ASP 53 Cb 1.21 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 42.06 2dhm h ASP 53 CO 0.45 1.33 1.32 0.54 -2.88 0.00 0.00 179.24 180.00 2dhm n ARG 54 N -3.56 0.01 -1.06 0.28 5.12 -1.26 0.14 116.66 116.32 2dhm n ARG 54 Ca -0.08 1.04 -0.23 0.00 -1.93 0.00 0.00 57.85 56.65 2dhm n ARG 54 Cb 1.00 -2.49 0.05 0.00 -1.16 0.00 0.00 32.46 29.86 2dhm n ARG 54 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2dhm n PHE 55 N -3.57 2.15 1.28 -1.55 3.72 -1.24 -4.35 117.46 113.90 2dhm n PHE 55 Ca 0.34 -2.35 0.11 0.00 -0.05 0.00 0.00 57.45 55.50 2dhm n PHE 55 Cb 1.77 -1.14 0.40 0.00 -0.94 0.00 0.00 39.48 39.57 2dhm n PHE 55 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2dhm n THR 56 N -0.09 0.17 -2.06 4.37 5.66 0.36 -4.40 114.28 118.29 2dhm n THR 56 Ca 0.42 -0.33 -0.00 0.00 -3.05 0.00 0.00 64.05 61.09 2dhm n THR 56 Cb 0.60 0.38 0.00 0.00 -1.55 0.00 0.00 70.33 69.76 2dhm n THR 56 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dhm n GLY 57 N 1.13 -0.65 3.59 1.09 0.00 -1.26 -5.16 105.19 103.93 2dhm n GLY 57 Ca 0.17 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2dhm n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dhm s GLU 58 N 0.00 2.23 0.80 1.61 2.02 -1.26 -5.12 118.70 118.99 2dhm s GLU 58 Ca 0.00 -0.96 -0.11 0.00 0.02 0.00 0.00 54.97 53.93 2dhm s GLU 58 Cb 0.01 -2.35 0.08 0.00 0.10 0.00 0.00 34.13 31.97 2dhm s GLU 58 CO -0.00 0.53 1.12 1.03 0.02 0.00 0.00 175.26 177.95 2dhm s ARG 59 N -2.06 1.94 0.31 1.61 1.81 -1.26 -4.87 118.95 116.43 2dhm s ARG 59 Ca 0.21 1.35 0.03 0.00 -1.72 0.00 0.00 55.73 55.60 2dhm s ARG 59 Cb -0.11 -1.85 0.51 0.00 -0.45 0.00 0.00 34.95 33.05 2dhm s ARG 59 CO 0.13 -1.91 1.80 0.27 -0.68 0.00 0.00 175.30 174.92 2dhm h PHE 60 N -1.17 0.55 0.51 -0.53 -0.00 -1.99 -2.69 116.94 111.63 2dhm h PHE 60 Ca -0.44 -0.08 -0.03 0.00 -0.00 0.00 0.00 57.97 57.42 2dhm h PHE 60 Cb 1.25 -0.15 0.01 0.00 -0.00 0.00 0.00 35.95 37.05 2dhm h PHE 60 CO 0.55 0.61 -0.25 1.25 -0.00 0.00 0.00 178.31 180.47 2dhm h LEU 61 N 0.48 -0.59 0.01 2.10 6.46 -1.99 -3.06 115.31 118.73 2dhm h LEU 61 Ca 0.09 -0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2dhm h LEU 61 Cb 0.48 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 2dhm h LEU 61 CO 0.03 -0.24 -0.20 -1.13 -0.62 0.00 0.00 178.44 176.28 2dhm h ASN 62 N -0.97 -0.62 -0.97 1.25 -1.24 -1.93 0.53 115.58 111.61 2dhm h ASN 62 Ca -0.07 0.07 0.28 0.00 0.71 0.00 0.00 56.30 57.29 2dhm h ASN 62 Cb 0.61 0.24 -0.04 0.00 0.73 0.00 0.00 38.32 39.86 2dhm h ASN 62 CO 0.12 -0.20 1.20 0.08 -1.29 0.00 0.00 177.43 177.33 2dhm h ARG 63 N -0.26 0.00 0.04 6.67 0.11 -1.59 1.94 114.38 121.29 2dhm h ARG 63 Ca 0.00 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.74 2dhm h ARG 63 Cb 0.28 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.31 2dhm h ARG 63 CO -0.13 0.00 -2.03 0.72 0.10 0.00 0.00 179.97 178.63 2dhm n HIS 64 N -3.22 0.79 0.22 4.08 8.25 0.26 -3.40 115.22 122.19 2dhm n HIS 64 Ca 0.22 0.22 0.05 0.00 -0.26 0.00 0.00 57.72 57.95 2dhm n HIS 64 Cb 1.49 -1.12 0.50 0.00 1.12 0.00 0.00 29.99 31.98 2dhm n HIS 64 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2dhm h ARG 65 N 0.03 0.02 0.14 -0.41 0.11 0.79 -1.61 114.38 113.45 2dhm h ARG 65 Ca -0.42 -0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.45 2dhm h ARG 65 Cb 2.04 -0.00 0.02 0.00 1.11 0.00 0.00 29.97 33.13 2dhm h ARG 65 CO 0.05 0.19 -0.97 0.00 0.10 0.00 0.00 179.97 179.34 2dhm h MET 66 N 0.02 0.29 0.68 0.08 -0.00 -1.35 -2.87 114.93 111.78 2dhm h MET 66 Ca 0.00 -0.50 -0.03 0.00 -0.00 0.00 0.00 59.70 59.17 2dhm h MET 66 Cb 0.31 0.19 -0.00 0.00 -0.00 0.00 0.00 31.60 32.10 2dhm h MET 66 CO 0.02 1.24 -0.40 0.82 -0.00 0.00 0.00 176.91 178.59 2dhm h ILE 67 N -0.34 0.18 -0.16 -0.10 1.08 -1.53 -1.85 117.51 114.79 2dhm h ILE 67 Ca -0.18 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.29 2dhm h ILE 67 Cb 1.69 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.61 2dhm h ILE 67 CO 0.13 0.00 0.10 1.88 -0.69 0.00 0.00 178.15 179.57 2dhm h TYR 68 N -1.02 0.20 -0.25 1.37 0.05 -1.47 -1.28 116.97 114.58 2dhm h TYR 68 Ca -0.09 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.65 2dhm h TYR 68 Cb 0.82 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 2dhm h TYR 68 CO -0.09 0.13 -0.07 1.03 -1.05 0.00 0.00 178.16 178.11 2dhm h SER 69 N 0.21 0.36 -0.01 3.88 0.87 -1.21 1.40 113.55 119.05 2dhm h SER 69 Ca 0.06 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 2dhm h SER 69 Cb -0.01 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2dhm h SER 69 CO -0.01 0.48 -0.12 0.74 -0.53 0.00 0.00 176.83 177.39 2dhm h THR 70 N 0.37 1.53 -1.14 2.23 2.02 -0.42 -3.35 112.91 114.16 2dhm h THR 70 Ca 0.08 -1.75 -0.60 0.00 0.77 0.00 0.00 66.41 64.91 2dhm h THR 70 Cb 0.36 2.65 -0.40 0.00 -1.74 0.00 0.00 68.15 69.02 2dhm h THR 70 CO 0.02 0.47 -0.45 0.18 0.37 0.00 0.00 175.52 176.11 2dhm n LEU 71 N -4.63 5.38 0.23 2.58 4.32 -0.99 -4.73 117.00 119.15 2dhm n LEU 71 Ca -0.09 -4.87 0.10 0.00 -0.02 0.00 0.00 56.01 51.13 2dhm n LEU 71 Cb 0.42 -0.51 0.49 0.00 -1.62 0.00 0.00 43.42 42.20 2dhm n LEU 71 CO 0.37 2.05 0.82 0.00 -1.22 0.00 0.00 177.39 179.41 2dhm h ALA 72 N 2.36 1.06 0.00 -1.18 0.00 0.18 -2.84 119.26 118.85 2dhm h ALA 72 Ca 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2dhm h ALA 72 Cb 1.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2dhm h ALA 72 CO 0.94 0.28 -1.34 0.39 0.00 0.00 0.00 179.25 179.52 2dhm n GLU 73 N -3.45 0.61 0.27 0.00 -0.58 -1.26 -3.50 120.64 112.73 2dhm n GLU 73 Ca -0.00 0.01 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 2dhm n GLU 73 Cb 0.41 -1.71 -0.08 0.00 -0.57 0.00 0.00 31.44 29.48 2dhm n GLU 73 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2dhm h GLU 74 N 0.00 -0.64 -0.05 3.49 4.39 -1.85 -2.86 114.58 117.07 2dhm h GLU 74 Ca 0.00 0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.60 2dhm h GLU 74 Cb 0.99 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 2dhm h GLU 74 CO 0.00 -0.36 -0.60 1.37 -1.16 0.00 0.00 179.01 178.26 2dhm h LEU 75 N -0.82 0.18 0.00 1.33 -0.00 -1.75 -2.76 115.31 111.49 2dhm h LEU 75 Ca -0.07 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 2dhm h LEU 75 Cb 0.57 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 2dhm h LEU 75 CO 0.11 0.74 0.00 -0.24 -0.00 0.00 0.00 178.44 179.05 2dhm n SER 76 N -3.86 0.00 0.10 0.17 2.88 -1.19 -1.09 113.62 110.63 2dhm n SER 76 Ca -0.02 0.31 -0.06 0.00 -1.33 0.00 0.00 58.87 57.77 2dhm n SER 76 Cb 0.61 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.67 2dhm n SER 76 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2dhm h THR 77 N 0.00 0.10 0.00 2.46 2.02 -1.25 -3.45 112.91 112.79 2dhm h THR 77 Ca 0.00 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.38 2dhm h THR 77 Cb 0.08 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2dhm h THR 77 CO 0.00 0.03 -0.30 1.07 0.37 0.00 0.00 175.52 176.69 2dhm n THR 78 N -5.00 0.00 -1.65 3.16 5.66 -1.14 -5.09 114.28 110.23 2dhm n THR 78 Ca -0.05 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.62 2dhm n THR 78 Cb 0.16 -0.22 0.06 0.00 -1.55 0.00 0.00 70.33 68.78 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 -1.30 2.87 0.05 1.08 1.01 -0.25 -5.00 120.40 118.86 2dhm s VAL 79 Ca 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 2dhm s VAL 79 Cb 0.00 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 2dhm s VAL 79 CO 0.00 -0.24 -0.04 1.41 0.00 0.00 0.00 175.10 176.23 2dhm n HIS 80 N -2.50 0.00 -3.62 5.22 -0.00 -1.26 -4.25 115.22 108.81 2dhm n HIS 80 Ca 0.12 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.61 2dhm n HIS 80 Cb 0.51 -0.06 -0.02 0.00 -0.00 0.00 0.00 29.99 30.43 2dhm n HIS 80 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dhm s ALA 81 N -2.14 4.19 -0.29 -1.41 0.00 -1.26 -5.00 121.76 115.86 2dhm s ALA 81 Ca -0.03 -1.76 -0.24 0.00 0.00 0.00 0.00 51.96 49.92 2dhm s ALA 81 Cb 0.00 -0.95 0.14 0.00 0.00 0.00 0.00 23.12 22.32 2dhm s ALA 81 CO 0.05 -0.33 1.13 -1.17 0.00 0.00 0.00 175.76 175.44 2dhm s LEU 82 N -4.20 -0.35 -0.51 0.00 2.96 -1.26 -4.67 118.68 110.64 2dhm s LEU 82 Ca 0.45 0.66 -0.06 0.00 -0.22 0.00 0.00 54.13 54.97 2dhm s LEU 82 Cb -0.03 1.67 0.13 0.00 0.50 0.00 0.00 46.19 48.46 2dhm s LEU 82 CO 0.27 -0.11 0.35 0.00 -1.32 0.00 0.00 176.35 175.53 2dhm s ALA 83 N 0.27 3.41 -0.35 5.97 0.00 -0.75 -5.03 121.76 125.27 2dhm s ALA 83 Ca 0.03 -2.76 -0.29 0.00 0.00 0.00 0.00 51.96 48.94 2dhm s ALA 83 Cb -0.05 -2.70 0.02 0.00 0.00 0.00 0.00 23.12 20.39 2dhm s ALA 83 CO -0.09 -1.94 1.15 -0.51 0.00 0.00 0.00 175.76 174.36 2dhm s LEU 84 N 0.87 3.85 -0.97 0.00 1.43 -1.26 -3.22 118.68 119.38 2dhm s LEU 84 Ca 0.10 0.95 -0.03 0.00 -1.03 0.00 0.00 54.13 54.12 2dhm s LEU 84 Cb -0.23 -3.54 0.25 0.00 0.03 0.00 0.00 46.19 42.70 2dhm s LEU 84 CO -0.03 -1.02 0.99 1.41 0.23 0.00 0.00 176.35 177.94 2dhm n HIS 85 N 7.29 4.16 -2.26 0.29 8.25 -0.96 -5.01 115.22 126.98 2dhm n HIS 85 Ca 0.13 -3.82 -0.41 0.00 -0.26 0.00 0.00 57.72 53.36 2dhm n HIS 85 Cb 0.47 -1.27 -0.03 0.00 1.12 0.00 0.00 29.99 30.28 2dhm n HIS 85 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2dhm s THR 86 N -1.69 3.06 0.06 1.59 2.01 -1.26 -3.99 115.64 115.42 2dhm s THR 86 Ca 0.30 1.04 0.01 0.00 0.31 0.00 0.00 61.69 63.35 2dhm s THR 86 Cb -0.04 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2dhm s THR 86 CO -0.07 0.24 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.74 2dhm s TYR 87 N -1.01 0.67 0.17 4.92 1.51 -1.09 -5.00 117.35 117.52 2dhm s TYR 87 Ca 0.48 -0.84 0.06 0.00 -1.01 0.00 0.00 57.07 55.76 2dhm s TYR 87 Cb -0.36 -0.42 -0.04 0.00 -0.11 0.00 0.00 41.96 41.03 2dhm s TYR 87 CO 0.47 -0.21 0.08 0.95 -1.11 0.00 0.00 175.55 175.73 2dhm s THR 88 N -3.03 4.20 0.12 -0.71 -4.23 -1.26 -1.46 115.64 109.27 2dhm s THR 88 Ca 0.03 -1.20 -0.28 0.00 -1.18 0.00 0.00 61.69 59.05 2dhm s THR 88 Cb 0.01 -3.13 -0.07 0.00 1.34 0.00 0.00 72.50 70.65 2dhm s THR 88 CO -0.05 -0.10 1.61 0.40 -0.54 0.00 0.00 174.62 175.94 2dhm h ILE 89 N 2.22 0.29 -0.99 2.99 5.03 -1.91 -1.33 117.51 123.80 2dhm h ILE 89 Ca -0.47 0.00 0.27 0.00 -0.12 0.00 0.00 64.86 64.54 2dhm h ILE 89 Cb 1.20 0.29 -0.13 0.00 -3.03 0.00 0.00 36.82 35.15 2dhm h ILE 89 CO 0.61 0.00 0.56 0.50 -0.68 0.00 0.00 178.15 179.14 2dhm h LYS 90 N -0.53 0.45 0.73 2.37 3.11 -1.96 0.20 116.57 120.95 2dhm h LYS 90 Ca 0.04 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.82 2dhm h LYS 90 Cb 0.58 -0.10 0.01 0.00 -1.00 0.00 0.00 32.23 31.72 2dhm h LYS 90 CO -0.23 0.30 -0.35 0.93 -2.81 0.00 0.00 179.45 177.29 2dhm h GLU 91 N 0.47 -0.95 -0.83 1.90 4.39 -1.68 -3.19 114.58 114.68 2dhm h GLU 91 Ca 0.67 0.06 0.15 0.00 0.34 0.00 0.00 59.36 60.58 2dhm h GLU 91 Cb 1.36 0.22 -0.10 0.00 -0.10 0.00 0.00 28.75 30.13 2dhm h GLU 91 CO -0.53 -0.63 0.41 2.35 -1.16 0.00 0.00 179.01 179.44 2dhm h TRP 92 N -1.25 0.71 -0.97 4.33 -0.00 -0.35 1.81 115.95 120.22 2dhm h TRP 92 Ca -0.10 0.03 0.32 0.00 -0.00 0.00 0.00 58.89 59.14 2dhm h TRP 92 Cb 0.76 -0.19 -0.17 0.00 -0.00 0.00 0.00 29.16 29.56 2dhm h TRP 92 CO 0.00 0.15 0.30 0.93 -0.00 0.00 0.00 178.44 179.82 2dhm h GLU 93 N 0.58 0.08 -0.30 2.65 4.39 -0.63 -2.94 114.58 118.40 2dhm h GLU 93 Ca 0.46 -0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.94 2dhm h GLU 93 Cb 0.67 -0.02 -0.33 0.00 -0.10 0.00 0.00 28.75 28.98 2dhm h GLU 93 CO -0.38 0.05 -0.87 0.41 -1.16 0.00 0.00 179.01 177.06 2dhm n GLY 94 N -1.37 1.85 0.08 -3.84 0.00 -0.37 -4.92 105.19 96.62 2dhm n GLY 94 Ca 0.29 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 2.12 0.15 0.00 0.99 7.12 0.29 -3.33 115.31 122.65 2dhm h LEU 95 Ca -0.23 -0.14 -0.01 0.00 0.13 0.00 0.00 57.88 57.63 2dhm h LEU 95 Cb 1.28 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 41.38 2dhm h LEU 95 CO 0.07 0.25 -0.07 -0.61 -0.13 0.00 0.00 178.44 177.95 2dhm h GLN 96 N 0.03 0.00 -7.35 1.25 4.15 -1.83 -3.47 115.11 107.90 2dhm h GLN 96 Ca 0.04 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.97 2dhm h GLN 96 Cb 0.14 0.00 0.07 0.00 0.21 0.00 0.00 27.48 27.90 2dhm h GLN 96 CO -0.00 0.55 0.34 -0.51 -1.93 0.00 0.00 178.83 177.28 2dhm s ASP 97 N -5.95 5.60 -0.09 -0.69 1.01 -1.25 -5.09 116.67 110.21 2dhm s ASP 97 Ca -0.11 1.04 -0.02 0.00 0.71 0.00 0.00 52.55 54.17 2dhm s ASP 97 Cb -0.01 -1.94 0.03 0.00 1.01 0.00 0.00 42.92 42.02 2dhm s ASP 97 CO 0.38 -1.19 0.03 0.42 0.21 0.00 0.00 175.17 175.02 2dhm s THR 98 N -3.22 0.25 -0.07 -1.27 -4.23 -1.26 -4.66 115.64 101.17 2dhm s THR 98 Ca 0.56 0.09 -0.11 0.00 -1.18 0.00 0.00 61.69 61.04 2dhm s THR 98 Cb -0.11 -0.51 0.02 0.00 1.34 0.00 0.00 72.50 73.25 2dhm s THR 98 CO 0.50 0.14 0.29 0.54 -0.54 0.00 0.00 174.62 175.55 2dhm s VAL 99 N 2.02 0.03 -0.14 2.29 0.11 -1.26 -5.17 120.40 118.27 2dhm s VAL 99 Ca 0.04 -0.21 -0.30 0.00 -2.93 0.00 0.00 61.98 58.57 2dhm s VAL 99 Cb -0.13 -0.48 0.13 0.00 -1.53 0.00 0.00 36.38 34.37 2dhm s VAL 99 CO -0.05 -0.12 1.04 0.12 -3.33 0.00 0.00 175.10 172.76 2dhm s PHE 100 N -0.45 -0.29 0.20 1.54 5.36 -1.26 -5.12 117.98 117.95 2dhm s PHE 100 Ca -0.06 0.39 -0.23 0.00 -0.96 0.00 0.00 56.93 56.08 2dhm s PHE 100 Cb -0.04 0.48 0.07 0.00 -0.34 0.00 0.00 43.02 43.20 2dhm s PHE 100 CO 0.02 -0.34 0.97 0.00 -1.46 0.00 0.00 175.22 174.41 2dhm s ALA 101 N -1.77 -1.51 0.30 11.12 0.00 -1.26 -5.15 121.76 123.48 2dhm s ALA 101 Ca 0.03 -0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 2dhm s ALA 101 Cb -0.01 0.70 -0.10 0.00 0.00 0.00 0.00 23.12 23.72 2dhm s ALA 101 CO -0.03 -1.05 1.29 0.45 0.00 0.00 0.00 175.76 176.43 2dhm s SER 102 N -3.17 6.84 0.71 0.00 0.15 -1.26 -5.00 113.70 111.97 2dhm s SER 102 Ca 0.17 2.59 -0.13 0.00 0.70 0.00 0.00 55.95 59.28 2dhm s SER 102 Cb -0.02 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.68 2dhm s SER 102 CO 0.05 -0.50 1.10 -2.16 1.20 0.00 0.00 173.24 172.93 2dhm s PRO 103 N -1.34 2.54 0.75 5.44 0.04 -1.26 -5.05 135.00 136.13 2dhm s PRO 103 Ca 0.51 1.29 -0.13 0.00 0.04 0.00 0.00 61.00 62.71 2dhm s PRO 103 Cb -0.38 -1.92 0.19 0.00 0.04 0.00 0.00 34.50 32.42 2dhm s PRO 103 CO 0.48 -1.44 0.67 -0.35 0.04 0.00 0.00 177.00 176.40 2dhm n PRO 104 N -2.94 -2.33 -3.91 0.56 -0.04 -1.26 -5.10 135.00 119.98 2dhm n PRO 104 Ca 0.10 -1.07 -0.22 0.00 -0.04 0.00 0.00 63.50 62.27 2dhm n PRO 104 Cb 0.52 -1.00 -0.05 0.00 -0.04 0.00 0.00 33.50 32.93 2dhm n PRO 104 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dhm h ARG 106 N 0.00 -0.30 -0.02 0.00 -0.00 -2.08 -3.58 114.38 108.40 2dhm h ARG 106 Ca -0.28 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.22 2dhm h ARG 106 Cb 0.93 0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.97 2dhm h ARG 106 CO 0.46 -0.20 0.00 0.41 0.00 0.00 0.00 179.97 180.64