#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 -0.84 -0.10 1.61 0.15 -1.26 -5.16 113.70 108.10 2dhm s SER 2 Ca 0.00 0.39 -0.05 0.00 0.70 0.00 0.00 55.95 56.99 2dhm s SER 2 Cb 0.00 1.65 0.05 0.00 -1.71 0.00 0.00 66.02 66.01 2dhm s SER 2 CO 0.00 -0.16 0.23 -0.44 1.20 0.00 0.00 173.24 174.08 2dhm s SER 3 N 2.91 -0.08 0.24 5.45 0.01 -1.26 -5.04 113.70 115.93 2dhm s SER 3 Ca 0.11 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2dhm s SER 3 Cb -0.10 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2dhm s SER 3 CO -0.18 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2dhm n GLY 4 N 4.49 -0.94 3.39 3.44 0.00 -1.26 -5.08 105.19 109.23 2dhm n GLY 4 Ca -0.21 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.33 5.79 0.21 1.61 0.01 -1.26 -4.95 113.70 111.77 2dhm s SER 5 Ca 0.00 -0.97 -0.05 0.00 1.31 0.00 0.00 55.95 56.24 2dhm s SER 5 Cb 0.00 -2.04 0.17 0.00 0.21 0.00 0.00 66.02 64.35 2dhm s SER 5 CO 0.00 -0.39 1.62 0.28 0.41 0.00 0.00 173.24 175.16 2dhm h SER 6 N 8.46 0.80 -3.84 2.44 0.02 -2.03 -3.49 113.55 115.92 2dhm h SER 6 Ca -0.26 -0.29 0.04 0.00 -0.84 0.00 0.00 61.79 60.43 2dhm h SER 6 Cb 1.11 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 2dhm h SER 6 CO 0.68 1.01 -0.94 0.61 -1.14 0.00 0.00 176.83 177.04 2dhm n GLY 7 N -0.21 -3.93 2.01 -3.77 0.00 -1.26 -4.49 105.19 93.54 2dhm n GLY 7 Ca 0.00 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.73 1.94 -3.72 1.61 0.00 -1.26 -4.92 117.12 108.04 2dhm n MET 8 Ca -0.01 -1.78 -0.37 0.00 0.00 0.00 0.00 57.70 55.54 2dhm n MET 8 Cb 0.48 -1.73 -0.07 0.00 0.00 0.00 0.00 33.22 31.90 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 -1.92 3.80 0.04 0.03 1.00 -1.26 -5.02 119.30 115.96 2dhm s MET 9 Ca 0.37 -0.00 -0.33 0.00 0.00 0.00 0.00 55.69 55.74 2dhm s MET 9 Cb 0.28 -3.27 -0.18 0.00 0.00 0.00 0.00 34.83 31.66 2dhm s MET 9 CO -0.04 0.59 1.35 0.82 0.00 0.00 0.00 175.02 177.75 2dhm h ILE 10 N 4.16 0.00 -1.18 2.53 1.08 -1.97 -2.79 117.51 119.34 2dhm h ILE 10 Ca -0.50 -0.14 0.37 0.00 -0.39 0.00 0.00 64.86 64.21 2dhm h ILE 10 Cb 1.20 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.87 2dhm h ILE 10 CO 0.65 0.00 0.80 0.54 -0.69 0.00 0.00 178.15 179.45 2dhm n ARG 11 N -5.53 -0.01 0.09 2.37 1.74 -1.26 0.83 116.66 114.89 2dhm n ARG 11 Ca -0.15 0.84 -0.07 0.00 -0.77 0.00 0.00 57.85 57.70 2dhm n ARG 11 Cb 0.46 -1.77 -0.04 0.00 -1.02 0.00 0.00 32.46 30.09 2dhm n ARG 11 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2dhm h GLU 12 N 0.00 -0.32 -0.73 5.56 5.08 -1.87 0.45 114.58 122.75 2dhm h GLU 12 Ca 0.65 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 59.24 2dhm h GLU 12 Cb 2.33 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 31.62 2dhm h GLU 12 CO -0.19 -0.11 0.66 0.07 -1.00 0.00 0.00 179.01 178.44 2dhm h ARG 13 N -1.05 0.00 0.00 2.33 0.11 0.58 0.50 114.38 116.85 2dhm h ARG 13 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2dhm h ARG 13 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 2dhm h ARG 13 CO 0.06 0.00 -0.30 0.82 0.10 0.00 0.00 179.97 180.65 2dhm h ILE 14 N 0.00 0.00 -0.16 0.08 2.04 -1.23 -3.38 117.51 114.86 2dhm h ILE 14 Ca 0.35 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.44 2dhm h ILE 14 Cb 1.67 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 2dhm h ILE 14 CO -0.00 0.00 -0.17 -0.33 0.00 0.00 0.00 178.15 177.65 2dhm h GLU 15 N -0.82 -0.19 -0.69 2.37 5.08 -0.48 -2.21 114.58 117.64 2dhm h GLU 15 Ca 0.00 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.54 2dhm h GLU 15 Cb 0.30 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.46 2dhm h GLU 15 CO 0.00 -0.12 -0.05 0.39 -1.00 0.00 0.00 179.01 178.22 2dhm n GLU 16 N -5.31 -0.06 -0.02 2.33 -0.58 0.17 0.13 120.64 117.30 2dhm n GLU 16 Ca -0.02 1.05 -0.13 0.00 -0.42 0.00 0.00 57.16 57.64 2dhm n GLU 16 Cb 0.23 -1.64 -0.09 0.00 -0.57 0.00 0.00 31.44 29.37 2dhm n GLU 16 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2dhm h LYS 17 N 0.00 0.09 0.00 3.49 6.56 -1.58 -2.95 116.57 122.18 2dhm h LYS 17 Ca 0.39 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.93 2dhm h LYS 17 Cb 0.73 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.39 2dhm h LYS 17 CO -0.67 0.53 -0.01 -0.07 -2.06 0.00 0.00 179.45 177.17 2dhm h LEU 18 N -0.35 0.00 0.39 2.94 3.38 0.13 0.58 115.31 122.39 2dhm h LEU 18 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2dhm h LEU 18 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2dhm h LEU 18 CO 0.01 0.01 -0.19 0.03 0.09 0.00 0.00 178.44 178.39 2dhm h ARG 19 N 0.00 -0.51 0.03 1.13 3.08 0.59 -2.94 114.38 115.76 2dhm h ARG 19 Ca -0.00 0.03 -0.22 0.00 0.07 0.00 0.00 59.98 59.86 2dhm h ARG 19 Cb 0.08 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2dhm h ARG 19 CO 0.00 -0.34 -1.06 0.00 -1.07 0.00 0.00 179.97 177.51 2dhm h ALA 20 N -1.66 0.30 -0.39 0.04 0.00 -1.55 0.27 119.26 116.27 2dhm h ALA 20 Ca -0.05 -0.91 0.07 0.00 0.00 0.00 0.00 54.91 54.01 2dhm h ALA 20 Cb 0.40 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 2dhm h ALA 20 CO 0.09 1.19 -0.42 0.00 0.00 0.00 0.00 179.25 180.11 2dhm h ALA 21 N 0.91 -0.43 0.00 0.00 0.00 0.06 -3.37 119.26 116.43 2dhm h ALA 21 Ca -0.04 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2dhm h ALA 21 Cb 1.81 0.88 -0.01 0.00 0.00 0.00 0.00 17.79 20.48 2dhm h ALA 21 CO 0.15 -0.86 -1.17 1.19 0.00 0.00 0.00 179.25 178.55 2dhm n PHE 22 N -5.42 0.00 -2.15 0.00 3.72 -1.17 -5.05 117.46 107.39 2dhm n PHE 22 Ca -0.01 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.35 2dhm n PHE 22 Cb 0.35 -0.11 0.02 0.00 -0.94 0.00 0.00 39.48 38.80 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 -2.87 -1.13 0.00 -1.08 6.02 0.09 -5.06 117.38 113.34 2dhm n GLN 23 Ca -0.06 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2dhm n GLN 23 Cb 0.55 -2.98 0.00 0.00 1.02 0.00 0.00 30.24 28.83 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 -1.87 -0.81 -0.03 -1.09 -0.04 -1.26 -5.01 135.00 124.89 2dhm n PRO 24 Ca -0.05 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.22 2dhm n PRO 24 Cb 0.54 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.86 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 -2.30 1.71 -4.34 0.52 3.14 -1.15 -4.96 118.33 110.94 2dhm n VAL 25 Ca 0.00 -0.65 -0.26 0.00 -2.96 0.00 0.00 64.34 60.47 2dhm n VAL 25 Cb 0.00 -1.62 -0.10 0.00 -1.06 0.00 0.00 33.84 31.06 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 -2.55 2.51 -0.28 1.45 5.36 -1.24 -5.01 117.98 118.22 2dhm s PHE 26 Ca -0.24 -0.27 -0.17 0.00 -0.96 0.00 0.00 56.93 55.29 2dhm s PHE 26 Cb 0.07 -1.22 0.08 0.00 -0.34 0.00 0.00 43.02 41.62 2dhm s PHE 26 CO 0.74 0.52 0.72 -1.17 -1.46 0.00 0.00 175.22 174.57 2dhm s LEU 27 N -2.85 -0.89 -0.13 6.12 2.96 -1.26 -3.40 118.68 119.23 2dhm s LEU 27 Ca 0.24 1.45 -0.30 0.00 -0.22 0.00 0.00 54.13 55.30 2dhm s LEU 27 Cb -0.08 2.34 0.12 0.00 0.50 0.00 0.00 46.19 49.07 2dhm s LEU 27 CO 0.14 -0.23 0.96 -0.70 -1.32 0.00 0.00 176.35 175.20 2dhm s GLU 28 N 1.46 0.66 -0.03 1.98 2.56 -0.41 -5.01 118.70 119.90 2dhm s GLU 28 Ca -0.09 0.06 -0.02 0.00 0.00 0.00 0.00 54.97 54.93 2dhm s GLU 28 Cb -0.05 0.31 0.02 0.00 2.00 0.00 0.00 34.13 36.41 2dhm s GLU 28 CO -0.17 -0.22 0.07 0.08 -0.56 0.00 0.00 175.26 174.46 2dhm s VAL 29 N -1.52 -0.02 -0.51 3.70 1.01 -1.26 -0.13 120.40 121.66 2dhm s VAL 29 Ca -0.01 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 2dhm s VAL 29 Cb -0.01 -0.13 0.08 0.00 0.00 0.00 0.00 36.38 36.33 2dhm s VAL 29 CO -0.00 0.03 0.55 -0.69 0.00 0.00 0.00 175.10 175.00 2dhm s VAL 30 N 0.50 5.01 0.71 2.92 1.01 0.84 -4.97 120.40 126.42 2dhm s VAL 30 Ca -0.04 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 2dhm s VAL 30 Cb -0.05 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 32.07 2dhm s VAL 30 CO -0.02 -0.79 1.13 1.51 0.00 0.00 0.00 175.10 176.93 2dhm s ASP 31 N 2.89 4.69 0.22 3.32 -4.77 -1.26 -2.47 116.67 119.29 2dhm s ASP 31 Ca 0.10 2.05 0.01 0.00 -3.30 0.00 0.00 52.55 51.41 2dhm s ASP 31 Cb -0.23 -2.55 -0.01 0.00 -1.09 0.00 0.00 42.92 39.05 2dhm s ASP 31 CO 0.08 -1.91 0.05 -1.84 0.70 0.00 0.00 175.17 172.25 2dhm n GLU 32 N -2.78 0.95 -4.11 2.11 0.28 -1.26 -4.74 120.64 111.09 2dhm n GLU 32 Ca 0.11 -1.76 -0.11 0.00 -0.16 0.00 0.00 57.16 55.24 2dhm n GLU 32 Cb 0.52 0.80 -0.08 0.00 1.43 0.00 0.00 31.44 34.11 2dhm n GLU 32 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2dhm s SER 33 N -2.29 0.07 -0.07 -1.84 0.01 -1.26 -5.06 113.70 103.26 2dhm s SER 33 Ca 0.07 -1.18 -0.00 0.00 1.31 0.00 0.00 55.95 56.15 2dhm s SER 33 Cb 0.00 0.48 0.02 0.00 0.21 0.00 0.00 66.02 66.74 2dhm s SER 33 CO 0.05 -0.99 -0.03 -0.72 0.41 0.00 0.00 173.24 171.96 2dhm s TYR 34 N -4.06 0.87 -0.26 2.43 1.13 -1.26 -5.02 117.35 111.18 2dhm s TYR 34 Ca 0.31 -0.30 -0.00 0.00 -1.41 0.00 0.00 57.07 55.67 2dhm s TYR 34 Cb 0.03 -0.84 -0.17 0.00 -1.10 0.00 0.00 41.96 39.88 2dhm s TYR 34 CO 0.11 -0.31 -0.23 0.54 -2.51 0.00 0.00 175.55 173.15 2dhm n ARG 35 N 4.69 0.64 -4.42 -3.49 1.74 -1.26 -5.01 116.66 109.55 2dhm n ARG 35 Ca -0.15 0.17 -0.24 0.00 -0.77 0.00 0.00 57.85 56.86 2dhm n ARG 35 Cb 0.50 -1.52 -0.11 0.00 -1.02 0.00 0.00 32.46 30.31 2dhm n ARG 35 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2dhm s HIS 36 N -2.52 2.19 -0.25 -1.55 3.76 -1.26 -5.02 115.29 110.64 2dhm s HIS 36 Ca -0.35 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.20 2dhm s HIS 36 Cb 0.10 -1.02 0.19 0.00 1.11 0.00 0.00 32.58 32.96 2dhm s HIS 36 CO 0.59 0.56 1.17 0.09 -0.85 0.00 0.00 174.74 176.30 2dhm n ASN 37 N -0.14 3.03 -4.17 1.40 3.02 -1.26 -4.83 115.26 112.31 2dhm n ASN 37 Ca -0.09 -2.40 -0.19 0.00 -0.03 0.00 0.00 54.58 51.86 2dhm n ASN 37 Cb 0.58 -0.58 -0.12 0.00 -0.61 0.00 0.00 39.78 39.04 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 -1.00 1.17 -0.56 2.41 -7.23 -1.26 -5.09 120.40 108.83 2dhm s VAL 38 Ca 0.15 -1.24 -0.27 0.00 -1.81 0.00 0.00 61.98 58.82 2dhm s VAL 38 Cb 0.13 -1.10 -0.02 0.00 0.56 0.00 0.00 36.38 35.95 2dhm s VAL 38 CO 0.03 -0.14 1.83 -2.16 -0.31 0.00 0.00 175.10 174.35 2dhm s PRO 39 N -1.58 2.79 0.01 4.82 0.04 -1.26 -4.97 135.00 134.85 2dhm s PRO 39 Ca -0.00 0.76 0.04 0.00 0.04 0.00 0.00 61.00 61.83 2dhm s PRO 39 Cb -0.09 -4.34 -0.01 0.00 0.04 0.00 0.00 34.50 30.09 2dhm s PRO 39 CO 0.02 -2.53 -0.11 0.00 0.04 0.00 0.00 177.00 174.42 2dhm s ALA 40 N 8.55 0.93 0.00 8.56 0.00 -1.26 -5.07 121.76 133.46 2dhm s ALA 40 Ca 0.69 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2dhm s ALA 40 Cb -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.78 2dhm s ALA 40 CO 0.23 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.61 2dhm n GLY 41 N 2.52 1.95 2.14 0.00 0.00 -1.26 -4.89 105.19 105.65 2dhm n GLY 41 Ca -0.15 -1.16 -0.17 0.00 0.00 0.00 0.00 46.02 44.54 2dhm n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dhm n SER 42 N 0.00 5.67 -3.61 1.61 7.64 -1.26 -4.82 113.62 118.86 2dhm n SER 42 Ca 0.00 -2.73 -0.04 0.00 1.01 0.00 0.00 58.87 57.11 2dhm n SER 42 Cb 0.00 -1.34 -0.00 0.00 -1.01 0.00 0.00 64.21 61.85 2dhm n SER 42 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2dhm s GLU 43 N 0.02 1.27 -0.38 1.43 4.04 -1.26 -5.13 118.70 118.69 2dhm s GLU 43 Ca 0.62 -0.75 0.00 0.00 0.04 0.00 0.00 54.97 54.88 2dhm s GLU 43 Cb 0.33 0.41 0.11 0.00 0.02 0.00 0.00 34.13 34.99 2dhm s GLU 43 CO -0.07 -0.59 0.14 -1.12 -1.84 0.00 0.00 175.26 171.77 2dhm s SER 44 N -3.07 5.05 0.29 0.83 0.01 -1.26 -4.94 113.70 110.60 2dhm s SER 44 Ca 0.15 -2.08 0.15 0.00 1.31 0.00 0.00 55.95 55.48 2dhm s SER 44 Cb -0.02 -1.74 0.79 0.00 0.21 0.00 0.00 66.02 65.26 2dhm s SER 44 CO 0.04 -0.47 1.37 1.41 0.41 0.00 0.00 173.24 176.00 2dhm n HIS 45 N 4.45 0.49 -3.69 2.43 8.25 -1.26 -4.33 115.22 121.56 2dhm n HIS 45 Ca 0.00 0.26 -0.37 0.00 -0.26 0.00 0.00 57.72 57.36 2dhm n HIS 45 Cb 0.42 -0.78 -0.10 0.00 1.12 0.00 0.00 29.99 30.64 2dhm n HIS 45 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2dhm s PHE 46 N -3.34 3.27 0.04 4.41 5.36 -1.26 -4.14 117.98 122.33 2dhm s PHE 46 Ca -0.02 0.13 -0.01 0.00 -0.96 0.00 0.00 56.93 56.07 2dhm s PHE 46 Cb 0.04 -2.27 -0.03 0.00 -0.34 0.00 0.00 43.02 40.42 2dhm s PHE 46 CO 0.13 -0.00 -0.02 0.21 -1.46 0.00 0.00 175.22 174.08 2dhm s LYS 47 N 1.16 0.55 -0.05 10.12 2.20 -1.03 -2.83 119.74 129.86 2dhm s LYS 47 Ca 0.07 -1.07 -0.00 0.00 -0.36 0.00 0.00 55.97 54.60 2dhm s LYS 47 Cb -0.14 0.19 0.03 0.00 -1.51 0.00 0.00 37.83 36.40 2dhm s LYS 47 CO 0.05 -0.10 -0.01 0.08 -0.36 0.00 0.00 175.35 175.01 2dhm s VAL 48 N -3.35 0.32 -0.20 4.02 1.01 -0.51 -0.11 120.40 121.57 2dhm s VAL 48 Ca 0.02 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 2dhm s VAL 48 Cb 0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 2dhm s VAL 48 CO -0.08 0.21 -0.06 -0.69 0.00 0.00 0.00 175.10 174.49 2dhm s VAL 49 N 1.44 3.41 -0.21 2.92 1.01 0.81 -1.69 120.40 128.10 2dhm s VAL 49 Ca -0.03 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2dhm s VAL 49 Cb -0.13 -2.52 0.09 0.00 0.00 0.00 0.00 36.38 33.81 2dhm s VAL 49 CO -0.03 0.45 0.18 -0.22 0.00 0.00 0.00 175.10 175.48 2dhm s LEU 50 N 1.11 0.09 0.06 3.92 0.20 -1.15 -1.29 118.68 121.63 2dhm s LEU 50 Ca 0.01 -0.52 -0.21 0.00 0.69 0.00 0.00 54.13 54.10 2dhm s LEU 50 Cb -0.15 0.12 -0.06 0.00 -0.43 0.00 0.00 46.19 45.67 2dhm s LEU 50 CO -0.01 -0.35 0.63 -0.69 -0.29 0.00 0.00 176.35 175.64 2dhm s VAL 51 N 2.25 4.74 -0.24 1.68 1.01 -1.22 -3.40 120.40 125.21 2dhm s VAL 51 Ca 0.06 1.35 -0.26 0.00 0.00 0.00 0.00 61.98 63.13 2dhm s VAL 51 Cb -0.16 -3.97 0.11 0.00 0.00 0.00 0.00 36.38 32.36 2dhm s VAL 51 CO -0.16 0.48 0.93 -0.55 0.00 0.00 0.00 175.10 175.80 2dhm s SER 52 N -0.68 -0.53 0.04 3.32 0.15 -0.79 -2.94 113.70 112.28 2dhm s SER 52 Ca 0.32 0.93 0.22 0.00 0.70 0.00 0.00 55.95 58.13 2dhm s SER 52 Cb -0.20 0.92 -0.06 0.00 -1.71 0.00 0.00 66.02 64.98 2dhm s SER 52 CO 0.20 -0.23 0.92 -0.67 1.20 0.00 0.00 173.24 174.65 2dhm n ASP 53 N 2.03 0.56 0.00 5.45 2.03 -1.26 -3.78 116.55 121.58 2dhm n ASP 53 Ca -0.13 -0.22 0.09 0.00 0.52 0.00 0.00 54.79 55.05 2dhm n ASP 53 Cb 0.56 1.01 0.54 0.00 -0.72 0.00 0.00 41.12 42.51 2dhm n ASP 53 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2dhm n ARG 54 N -2.02 0.76 -0.01 -0.67 5.12 -1.26 -2.77 116.66 115.81 2dhm n ARG 54 Ca 0.01 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.82 2dhm n ARG 54 Cb 0.46 -1.38 -0.14 0.00 -1.16 0.00 0.00 32.46 30.24 2dhm n ARG 54 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 2dhm h PHE 55 N 0.00 0.09 -3.12 -1.55 0.04 -2.00 -3.45 116.94 106.94 2dhm h PHE 55 Ca 0.00 -0.07 -0.58 0.00 2.80 0.00 0.00 57.97 60.12 2dhm h PHE 55 Cb 0.00 -0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.08 2dhm h PHE 55 CO 0.00 1.13 0.74 -0.08 -0.60 0.00 0.00 178.31 179.50 2dhm s THR 56 N -2.60 4.71 0.00 -1.55 -1.32 -1.12 -4.36 115.64 109.40 2dhm s THR 56 Ca -0.07 1.94 0.00 0.00 -1.21 0.00 0.00 61.69 62.35 2dhm s THR 56 Cb 0.08 -4.28 0.00 0.00 -1.51 0.00 0.00 72.50 66.79 2dhm s THR 56 CO 0.82 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 173.67 2dhm n GLY 57 N 3.41 0.45 0.01 6.08 0.00 -1.26 -5.04 105.19 108.84 2dhm n GLY 57 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2dhm n GLY 57 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dhm n GLU 58 N 0.00 0.00 -3.17 1.61 -0.58 -1.26 -5.07 120.64 112.16 2dhm n GLU 58 Ca 0.00 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.79 2dhm n GLU 58 Cb 0.00 -0.26 -0.02 0.00 -0.57 0.00 0.00 31.44 30.60 2dhm n GLU 58 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2dhm s ARG 59 N -0.52 0.33 0.46 3.49 6.06 -1.26 -5.01 118.95 122.49 2dhm s ARG 59 Ca 0.00 0.60 0.39 0.00 -2.50 0.00 0.00 55.73 54.22 2dhm s ARG 59 Cb 0.00 0.33 1.46 0.00 0.06 0.00 0.00 34.95 36.81 2dhm s ARG 59 CO 0.00 -0.33 1.38 1.97 -2.50 0.00 0.00 175.30 175.82 2dhm n PHE 60 N 5.43 0.22 0.33 5.12 -1.74 -1.26 0.49 117.46 126.05 2dhm n PHE 60 Ca -0.05 0.22 -0.17 0.00 -0.56 0.00 0.00 57.45 56.88 2dhm n PHE 60 Cb 0.53 -0.65 -0.09 0.00 1.52 0.00 0.00 39.48 40.79 2dhm n PHE 60 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 2dhm h LEU 61 N 0.00 -0.89 -2.15 5.98 -0.00 -1.95 -0.73 115.31 115.57 2dhm h LEU 61 Ca 0.82 0.05 0.01 0.00 -0.00 0.00 0.00 57.88 58.75 2dhm h LEU 61 Cb 3.07 0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 43.99 2dhm h LEU 61 CO -0.15 -0.56 0.01 -1.13 -0.00 0.00 0.00 178.44 176.62 2dhm h ASN 62 N -0.89 0.00 0.55 -0.43 -1.24 -0.37 -2.79 115.58 110.41 2dhm h ASN 62 Ca -0.07 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.91 2dhm h ASN 62 Cb 0.72 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.77 2dhm h ASN 62 CO 0.08 0.00 -0.26 0.03 -1.29 0.00 0.00 177.43 175.98 2dhm h ARG 63 N 0.00 -0.71 -0.73 6.67 2.47 -1.01 -3.25 114.38 117.82 2dhm h ARG 63 Ca 0.01 0.05 0.16 0.00 -1.26 0.00 0.00 59.98 58.94 2dhm h ARG 63 Cb 0.04 0.16 -0.13 0.00 -1.65 0.00 0.00 29.97 28.39 2dhm h ARG 63 CO -0.00 -0.43 0.00 0.45 0.56 0.00 0.00 179.97 180.55 2dhm h HIS 64 N -1.13 -0.05 -0.86 3.04 3.86 -0.93 -0.85 115.15 118.22 2dhm h HIS 64 Ca -0.08 0.05 0.14 0.00 -1.16 0.00 0.00 60.37 59.33 2dhm h HIS 64 Cb 0.61 0.14 -0.15 0.00 1.06 0.00 0.00 27.41 29.07 2dhm h HIS 64 CO 0.01 -0.23 -0.35 0.00 0.86 0.00 0.00 177.93 178.22 2dhm h ARG 65 N 0.10 -0.05 -0.21 2.45 3.08 -1.53 -0.10 114.38 118.13 2dhm h ARG 65 Ca 0.39 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.50 2dhm h ARG 65 Cb 0.68 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.67 2dhm h ARG 65 CO -0.64 -0.03 -0.44 0.52 -1.07 0.00 0.00 179.97 178.31 2dhm h MET 66 N -0.05 -0.44 -0.96 0.04 2.86 -1.19 -1.24 114.93 113.95 2dhm h MET 66 Ca 0.32 0.03 0.22 0.00 -2.06 0.00 0.00 59.70 58.21 2dhm h MET 66 Cb 0.59 0.10 -0.18 0.00 0.06 0.00 0.00 31.60 32.17 2dhm h MET 66 CO -0.89 -0.29 -0.13 -0.89 1.06 0.00 0.00 176.91 175.77 2dhm n ILE 67 N -5.43 -0.40 0.34 -1.22 2.08 -0.07 -0.32 119.36 114.34 2dhm n ILE 67 Ca -0.03 2.16 -0.17 0.00 0.56 0.00 0.00 62.75 65.26 2dhm n ILE 67 Cb 0.36 -3.05 -0.09 0.00 -0.75 0.00 0.00 39.64 36.11 2dhm n ILE 67 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 2dhm h TYR 68 N 0.00 -0.77 -0.93 1.39 0.05 -1.02 -2.79 116.97 112.91 2dhm h TYR 68 Ca 0.51 -0.02 0.16 0.00 0.05 0.00 0.00 58.73 59.43 2dhm h TYR 68 Cb 0.91 0.25 -0.10 0.00 1.01 0.00 0.00 36.73 38.81 2dhm h TYR 68 CO -0.63 -0.48 0.53 1.03 -1.05 0.00 0.00 178.16 177.56 2dhm h SER 69 N -0.83 0.67 -0.80 3.88 0.87 -0.15 1.92 113.55 119.12 2dhm h SER 69 Ca -0.08 0.09 0.17 0.00 -1.23 0.00 0.00 61.79 60.74 2dhm h SER 69 Cb 0.63 -0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 62.46 2dhm h SER 69 CO 0.14 0.27 0.28 0.74 -0.53 0.00 0.00 176.83 177.73 2dhm h THR 70 N 0.72 0.54 -0.54 2.23 2.02 -0.49 -2.88 112.91 114.51 2dhm h THR 70 Ca 0.51 -0.12 -0.35 0.00 0.77 0.00 0.00 66.41 67.22 2dhm h THR 70 Cb 0.73 0.15 -0.41 0.00 -1.74 0.00 0.00 68.15 66.88 2dhm h THR 70 CO -0.36 0.07 -1.00 0.00 0.37 0.00 0.00 175.52 174.59 2dhm n LEU 71 N -5.08 2.82 -0.08 2.58 -0.00 -0.30 -4.86 117.00 112.08 2dhm n LEU 71 Ca 0.17 -3.66 0.02 0.00 -0.00 0.00 0.00 56.01 52.54 2dhm n LEU 71 Cb 0.51 0.16 0.33 0.00 -0.00 0.00 0.00 43.42 44.42 2dhm n LEU 71 CO 0.14 1.43 1.13 0.00 -0.00 0.00 0.00 177.39 180.09 2dhm h ALA 72 N 2.42 1.53 0.06 1.47 0.00 0.32 -1.39 119.26 123.68 2dhm h ALA 72 Ca 0.05 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2dhm h ALA 72 Cb 1.37 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2dhm h ALA 72 CO 0.39 0.39 -0.93 0.93 0.00 0.00 0.00 179.25 180.03 2dhm h GLU 73 N 0.71 0.13 -0.70 0.00 5.08 -1.83 -3.18 114.58 114.79 2dhm h GLU 73 Ca 0.18 -0.22 0.13 0.00 -1.00 0.00 0.00 59.36 58.45 2dhm h GLU 73 Cb 0.02 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.26 2dhm h GLU 73 CO -0.03 1.11 0.24 0.93 -1.00 0.00 0.00 179.01 180.26 2dhm h GLU 74 N -0.66 0.38 0.00 2.33 4.39 -1.89 0.29 114.58 119.42 2dhm h GLU 74 Ca -0.21 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.44 2dhm h GLU 74 Cb 1.44 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 30.00 2dhm h GLU 74 CO -0.01 0.25 -0.13 1.37 -1.16 0.00 0.00 179.01 179.33 2dhm h LEU 75 N 0.39 0.00 -2.17 1.33 8.10 -1.40 -2.55 115.31 119.01 2dhm h LEU 75 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.37 2dhm h LEU 75 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.78 2dhm h LEU 75 CO -0.39 0.13 0.00 -1.20 -4.11 0.00 0.00 178.44 172.87 2dhm n SER 76 N -3.30 3.20 -0.09 0.17 7.64 0.98 -3.47 113.62 118.76 2dhm n SER 76 Ca 0.00 -2.42 -0.10 0.00 1.01 0.00 0.00 58.87 57.36 2dhm n SER 76 Cb 0.37 -0.56 -0.04 0.00 -1.01 0.00 0.00 64.21 62.97 2dhm n SER 76 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2dhm n THR 77 N 0.33 1.48 0.00 0.44 -1.04 -0.96 -4.93 114.28 109.59 2dhm n THR 77 Ca 0.13 0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 2dhm n THR 77 Cb 0.68 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 66.88 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 -4.49 0.00 -2.08 12.58 5.66 -1.26 -5.06 114.28 119.63 2dhm n THR 78 Ca -0.16 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.46 2dhm n THR 78 Cb 0.49 -1.01 0.01 0.00 -1.55 0.00 0.00 70.33 68.27 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 -1.93 2.74 -0.03 1.08 1.01 -1.23 -4.99 120.40 117.05 2dhm s VAL 79 Ca 0.00 0.53 -0.05 0.00 0.00 0.00 0.00 61.98 62.46 2dhm s VAL 79 Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 2dhm s VAL 79 CO 0.00 -0.03 -0.10 1.57 0.00 0.00 0.00 175.10 176.54 2dhm n HIS 80 N -0.88 0.00 -4.08 5.22 -0.00 -1.26 -4.38 115.22 109.84 2dhm n HIS 80 Ca 0.09 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.98 2dhm n HIS 80 Cb 0.48 -0.15 -0.06 0.00 -0.12 0.00 0.00 29.99 30.13 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 -2.51 3.50 -0.12 1.57 0.00 -1.26 -5.01 121.76 117.93 2dhm s ALA 81 Ca -0.09 -1.10 -0.26 0.00 0.00 0.00 0.00 51.96 50.51 2dhm s ALA 81 Cb 0.01 -1.35 0.06 0.00 0.00 0.00 0.00 23.12 21.84 2dhm s ALA 81 CO 0.13 0.66 0.62 -1.17 0.00 0.00 0.00 175.76 176.00 2dhm s LEU 82 N -2.60 -0.41 -0.19 0.00 2.96 -1.26 -4.59 118.68 112.59 2dhm s LEU 82 Ca 0.29 0.86 -0.01 0.00 -0.22 0.00 0.00 54.13 55.05 2dhm s LEU 82 Cb -0.11 2.27 0.00 0.00 0.50 0.00 0.00 46.19 48.84 2dhm s LEU 82 CO 0.22 -0.45 -0.12 0.00 -1.32 0.00 0.00 176.35 174.68 2dhm s ALA 83 N -0.63 2.59 -0.24 5.97 0.00 -1.13 -5.02 121.76 123.31 2dhm s ALA 83 Ca -0.07 -1.14 -0.16 0.00 0.00 0.00 0.00 51.96 50.59 2dhm s ALA 83 Cb -0.02 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 2dhm s ALA 83 CO 0.06 -0.28 0.42 -0.51 0.00 0.00 0.00 175.76 175.45 2dhm s LEU 84 N 1.21 4.09 -0.63 0.00 1.43 -1.26 -1.42 118.68 122.09 2dhm s LEU 84 Ca 0.02 0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 2dhm s LEU 84 Cb -0.14 -2.53 0.16 0.00 0.03 0.00 0.00 46.19 43.71 2dhm s LEU 84 CO -0.05 -0.17 0.41 -1.00 0.23 0.00 0.00 176.35 175.77 2dhm s HIS 85 N 1.82 3.36 -0.54 0.29 3.76 -0.68 -5.01 115.29 118.29 2dhm s HIS 85 Ca 0.18 -3.25 -0.19 0.00 -0.15 0.00 0.00 55.06 51.66 2dhm s HIS 85 Cb -0.15 -2.70 0.08 0.00 1.11 0.00 0.00 32.58 30.92 2dhm s HIS 85 CO 0.09 -0.62 0.63 0.95 -0.85 0.00 0.00 174.74 174.94 2dhm s THR 86 N -1.00 4.89 -0.06 1.30 -4.23 -1.26 -2.94 115.64 112.34 2dhm s THR 86 Ca 0.22 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.96 2dhm s THR 86 Cb -0.12 -4.37 -0.03 0.00 1.34 0.00 0.00 72.50 69.32 2dhm s THR 86 CO -0.11 -0.92 -0.07 -0.31 -0.54 0.00 0.00 174.62 172.67 2dhm s TYR 87 N 2.53 2.93 0.56 3.99 1.51 -1.22 -4.94 117.35 122.71 2dhm s TYR 87 Ca 0.12 0.01 -0.16 0.00 -1.01 0.00 0.00 57.07 56.04 2dhm s TYR 87 Cb -0.22 -1.70 -0.06 0.00 -0.11 0.00 0.00 41.96 39.87 2dhm s TYR 87 CO 0.09 0.33 1.01 0.95 -1.11 0.00 0.00 175.55 176.83 2dhm s THR 88 N -0.83 4.32 0.44 -0.71 -4.23 -1.25 -1.88 115.64 111.50 2dhm s THR 88 Ca 0.13 1.06 0.23 0.00 -1.18 0.00 0.00 61.69 61.92 2dhm s THR 88 Cb -0.11 -3.62 0.42 0.00 1.34 0.00 0.00 72.50 70.53 2dhm s THR 88 CO 0.02 -0.69 1.82 0.40 -0.54 0.00 0.00 174.62 175.63 2dhm h ILE 89 N 0.59 0.56 0.00 2.99 5.03 -1.93 0.23 117.51 124.98 2dhm h ILE 89 Ca -0.46 -0.10 -0.00 0.00 -0.12 0.00 0.00 64.86 64.18 2dhm h ILE 89 Cb 1.20 0.25 0.00 0.00 -3.03 0.00 0.00 36.82 35.23 2dhm h ILE 89 CO 0.60 0.05 -0.00 0.11 -0.68 0.00 0.00 178.15 178.23 2dhm h LYS 90 N 0.29 -0.00 -1.27 2.37 1.79 -1.94 -0.03 116.57 117.78 2dhm h LYS 90 Ca 0.53 0.00 0.41 0.00 -2.18 0.00 0.00 60.65 59.41 2dhm h LYS 90 Cb 1.54 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 32.07 2dhm h LYS 90 CO -0.18 -0.00 0.81 0.93 -1.08 0.00 0.00 179.45 179.93 2dhm h GLU 91 N -0.00 0.13 -0.01 3.15 3.07 -1.88 0.31 114.58 119.35 2dhm h GLU 91 Ca -0.00 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 2dhm h GLU 91 Cb 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 2dhm h GLU 91 CO 0.00 0.08 -0.17 2.35 -1.40 0.00 0.00 179.01 179.87 2dhm h TRP 92 N 0.13 0.19 -1.05 4.33 -0.00 -1.03 0.25 115.95 118.77 2dhm h TRP 92 Ca 0.79 -0.10 0.39 0.00 -0.00 0.00 0.00 58.89 59.97 2dhm h TRP 92 Cb 2.39 -0.02 -0.14 0.00 -0.00 0.00 0.00 29.16 31.39 2dhm h TRP 92 CO -0.01 0.86 0.64 0.39 -0.00 0.00 0.00 178.44 180.33 2dhm n GLU 93 N -4.58 -0.04 -2.77 2.65 -0.58 0.11 -2.63 120.64 112.80 2dhm n GLU 93 Ca -0.09 1.13 -0.09 0.00 -0.42 0.00 0.00 57.16 57.68 2dhm n GLU 93 Cb 0.45 -2.14 0.08 0.00 -0.57 0.00 0.00 31.44 29.26 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 -1.35 1.27 0.18 0.62 0.00 -1.14 -4.98 105.19 99.79 2dhm n GLY 94 Ca 0.34 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 2.69 0.51 -0.48 0.99 7.12 -0.24 -2.95 115.31 122.94 2dhm h LEU 95 Ca -0.13 -0.15 0.08 0.00 0.13 0.00 0.00 57.88 57.81 2dhm h LEU 95 Cb 1.15 -0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 41.09 2dhm h LEU 95 CO 0.14 0.52 0.12 1.56 -0.13 0.00 0.00 178.44 180.65 2dhm h GLN 96 N 0.47 0.26 -7.34 1.25 1.08 -1.87 -3.42 115.11 105.55 2dhm h GLN 96 Ca 0.13 -0.02 -0.45 0.00 -1.45 0.00 0.00 58.65 56.86 2dhm h GLN 96 Cb 0.16 -0.06 0.16 0.00 -0.05 0.00 0.00 27.48 27.69 2dhm h GLN 96 CO -0.01 0.17 0.18 0.34 -0.95 0.00 0.00 178.83 178.56 2dhm s ASP 97 N -5.33 2.48 -0.17 1.46 2.15 -1.12 -5.05 116.67 111.09 2dhm s ASP 97 Ca -0.13 1.24 0.00 0.00 0.43 0.00 0.00 52.55 54.08 2dhm s ASP 97 Cb 0.15 -1.91 0.04 0.00 -0.30 0.00 0.00 42.92 40.89 2dhm s ASP 97 CO 0.73 -3.23 -0.08 0.42 -0.17 0.00 0.00 175.17 172.84 2dhm s THR 98 N -2.91 1.32 0.15 1.71 -4.23 -1.26 -5.00 115.64 105.41 2dhm s THR 98 Ca 0.66 -0.70 -0.33 0.00 -1.18 0.00 0.00 61.69 60.13 2dhm s THR 98 Cb -0.19 -1.41 -0.17 0.00 1.34 0.00 0.00 72.50 72.07 2dhm s THR 98 CO 0.58 0.22 1.08 0.52 -0.54 0.00 0.00 174.62 176.48 2dhm n VAL 99 N 4.81 0.85 -1.34 2.29 0.31 -1.26 -4.86 118.33 119.13 2dhm n VAL 99 Ca -0.13 -0.21 -0.31 0.00 -0.01 0.00 0.00 64.34 63.67 2dhm n VAL 99 Cb 0.48 -0.62 0.10 0.00 -0.91 0.00 0.00 33.84 32.89 2dhm n VAL 99 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 2dhm n PHE 100 N 1.36 3.12 -3.68 3.52 -1.74 -1.26 -4.88 117.46 113.91 2dhm n PHE 100 Ca 0.16 -2.69 -0.19 0.00 -0.56 0.00 0.00 57.45 54.17 2dhm n PHE 100 Cb 0.22 -1.26 -0.18 0.00 1.52 0.00 0.00 39.48 39.78 2dhm n PHE 100 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2dhm s ALA 101 N -3.68 0.21 0.36 1.98 0.00 -1.26 -5.15 121.76 114.22 2dhm s ALA 101 Ca 0.62 0.21 -0.14 0.00 0.00 0.00 0.00 51.96 52.64 2dhm s ALA 101 Cb 0.50 -0.58 -0.08 0.00 0.00 0.00 0.00 23.12 22.96 2dhm s ALA 101 CO 0.02 -0.44 0.77 -1.54 0.00 0.00 0.00 175.76 174.57 2dhm s SER 102 N 2.04 6.71 0.58 0.00 1.04 -1.26 -5.06 113.70 117.75 2dhm s SER 102 Ca 0.03 1.28 -0.18 0.00 0.48 0.00 0.00 55.95 57.57 2dhm s SER 102 Cb -0.12 -2.38 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 2dhm s SER 102 CO -0.03 -0.28 1.12 -2.16 0.98 0.00 0.00 173.24 172.87 2dhm s PRO 103 N -3.26 3.18 -0.79 4.02 0.04 -1.26 -4.92 135.00 132.01 2dhm s PRO 103 Ca 0.54 1.54 -0.25 0.00 0.04 0.00 0.00 61.00 62.87 2dhm s PRO 103 Cb -0.10 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2dhm s PRO 103 CO 0.21 -0.97 1.91 -1.25 0.04 0.00 0.00 177.00 176.94 2dhm s PRO 104 N -3.54 2.58 -0.57 0.56 0.04 -1.26 -4.93 135.00 127.88 2dhm s PRO 104 Ca 0.71 0.05 -0.18 0.00 0.04 0.00 0.00 61.00 61.63 2dhm s PRO 104 Cb -0.23 -4.80 0.12 0.00 0.04 0.00 0.00 34.50 29.62 2dhm s PRO 104 CO 0.31 -3.13 0.61 0.00 0.04 0.00 0.00 177.00 174.84 2dhm s ARG 106 N 2.17 0.97 0.00 0.00 1.81 -1.26 -5.30 118.95 117.34 2dhm s ARG 106 Ca 0.08 -1.20 0.01 0.00 -1.72 0.00 0.00 55.73 52.90 2dhm s ARG 106 Cb -0.27 0.32 0.09 0.00 -0.45 0.00 0.00 34.95 34.64 2dhm s ARG 106 CO 0.05 -0.31 0.58 0.41 -0.68 0.00 0.00 175.30 175.34