#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 -0.66 -4.66 1.61 3.41 -1.26 -4.85 113.62 107.21 2dhm n SER 2 Ca 0.00 -0.90 -0.36 0.00 -0.26 0.00 0.00 58.87 57.35 2dhm n SER 2 Cb 0.00 -1.14 -0.09 0.00 -0.26 0.00 0.00 64.21 62.71 2dhm n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dhm s SER 3 N -3.06 6.00 0.00 4.04 0.15 -1.26 -4.88 113.70 114.70 2dhm s SER 3 Ca 0.41 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.17 2dhm s SER 3 Cb -0.24 -2.07 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2dhm s SER 3 CO 0.73 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.88 2dhm n GLY 4 N 4.05 -2.05 3.13 9.45 0.00 -1.26 -5.11 105.19 113.40 2dhm n GLY 4 Ca -0.16 -0.78 0.03 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 -1.31 0.42 1.61 0.01 -1.26 -5.17 113.70 108.00 2dhm s SER 5 Ca 0.00 0.61 0.08 0.00 1.31 0.00 0.00 55.95 57.94 2dhm s SER 5 Cb 0.00 2.04 -0.01 0.00 0.21 0.00 0.00 66.02 68.26 2dhm s SER 5 CO 0.00 -0.28 0.44 -0.44 0.41 0.00 0.00 173.24 173.37 2dhm s SER 6 N 2.82 5.23 0.00 2.44 0.01 -1.26 -5.08 113.70 117.86 2dhm s SER 6 Ca 0.17 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2dhm s SER 6 Cb -0.14 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.52 2dhm s SER 6 CO -0.22 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.34 2dhm n GLY 7 N -1.65 1.57 3.07 3.44 0.00 -1.26 -5.16 105.19 105.20 2dhm n GLY 7 Ca 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.50 0.35 1.61 1.00 -1.26 -5.14 119.30 116.35 2dhm s MET 8 Ca 0.00 0.69 0.06 0.00 0.00 0.00 0.00 55.69 56.44 2dhm s MET 8 Cb 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 34.83 34.95 2dhm s MET 8 CO 0.00 -0.77 0.23 0.00 0.00 0.00 0.00 175.02 174.48 2dhm s MET 9 N 2.74 1.78 -0.05 2.03 0.00 -1.26 -5.09 119.30 119.45 2dhm s MET 9 Ca 0.15 -2.04 -0.11 0.00 0.00 0.00 0.00 55.69 53.68 2dhm s MET 9 Cb -0.14 0.07 -0.06 0.00 0.00 0.00 0.00 34.83 34.70 2dhm s MET 9 CO -0.22 -0.59 0.48 0.82 0.00 0.00 0.00 175.02 175.51 2dhm h ILE 10 N 2.06 0.00 -1.10 3.16 5.03 -1.99 -2.93 117.51 121.75 2dhm h ILE 10 Ca -0.28 -0.68 0.41 0.00 -0.12 0.00 0.00 64.86 64.19 2dhm h ILE 10 Cb 1.24 0.00 -0.16 0.00 -3.03 0.00 0.00 36.82 34.87 2dhm h ILE 10 CO 0.43 0.00 0.63 0.08 -0.68 0.00 0.00 178.15 178.61 2dhm h ARG 11 N -1.09 0.07 0.22 2.37 0.11 -1.98 0.38 114.38 114.45 2dhm h ARG 11 Ca -0.04 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 2dhm h ARG 11 Cb 0.32 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.38 2dhm h ARG 11 CO 0.07 0.04 -0.10 0.93 0.10 0.00 0.00 179.97 181.01 2dhm h GLU 12 N 0.07 -0.28 -0.99 0.08 4.39 -1.99 -2.89 114.58 112.97 2dhm h GLU 12 Ca 0.83 0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.62 2dhm h GLU 12 Cb 2.28 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 30.92 2dhm h GLU 12 CO -0.65 0.05 0.64 0.00 -1.16 0.00 0.00 179.01 177.88 2dhm h ARG 13 N -0.64 1.11 0.28 2.33 3.08 -0.18 -1.30 114.38 119.06 2dhm h ARG 13 Ca -0.03 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2dhm h ARG 13 Cb 0.46 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2dhm h ARG 13 CO 0.05 0.73 -0.33 0.82 -1.07 0.00 0.00 179.97 180.17 2dhm h ILE 14 N 1.14 0.00 0.27 2.04 2.04 -0.77 -2.79 117.51 119.45 2dhm h ILE 14 Ca 0.43 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.30 2dhm h ILE 14 Cb 0.20 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 2dhm h ILE 14 CO -0.17 0.00 -0.36 -0.33 0.00 0.00 0.00 178.15 177.29 2dhm h GLU 15 N -0.62 -0.66 -0.69 2.37 5.08 -1.35 -2.06 114.58 116.65 2dhm h GLU 15 Ca -0.03 0.05 0.27 0.00 -1.00 0.00 0.00 59.36 58.64 2dhm h GLU 15 Cb 0.55 0.15 -0.12 0.00 0.50 0.00 0.00 28.75 29.82 2dhm h GLU 15 CO -0.06 -0.44 0.30 0.39 -1.00 0.00 0.00 179.01 178.20 2dhm n GLU 16 N -5.46 -0.04 0.02 2.33 -0.58 -0.50 -0.89 120.64 115.52 2dhm n GLU 16 Ca -0.09 0.96 -0.01 0.00 -0.42 0.00 0.00 57.16 57.60 2dhm n GLU 16 Cb 0.36 -1.69 -0.01 0.00 -0.57 0.00 0.00 31.44 29.53 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 -0.07 -0.91 3.49 1.57 -1.11 -3.32 116.57 116.23 2dhm h LYS 17 Ca 0.55 0.00 0.34 0.00 -1.87 0.00 0.00 60.65 59.68 2dhm h LYS 17 Cb 1.42 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 33.62 2dhm h LYS 17 CO -0.55 -0.05 0.54 1.28 -0.57 0.00 0.00 179.45 180.10 2dhm n LEU 18 N -2.76 0.22 -0.19 2.94 4.77 -0.07 0.85 117.00 122.76 2dhm n LEU 18 Ca -0.01 1.17 -0.04 0.00 -0.03 0.00 0.00 56.01 57.10 2dhm n LEU 18 Cb 0.03 -0.57 0.03 0.00 -2.33 0.00 0.00 43.42 40.57 2dhm n LEU 18 CO 0.02 -1.29 0.67 0.03 -1.33 0.00 0.00 177.39 175.50 2dhm h ARG 19 N 0.00 -0.11 0.06 3.23 3.08 -1.10 -1.75 114.38 117.78 2dhm h ARG 19 Ca 0.66 0.01 -0.35 0.00 0.07 0.00 0.00 59.98 60.37 2dhm h ARG 19 Cb 1.94 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.98 2dhm h ARG 19 CO -0.47 -0.08 -2.01 0.00 -1.07 0.00 0.00 179.97 176.34 2dhm n ALA 20 N -3.09 1.21 -0.23 0.04 0.00 0.25 -2.23 120.51 116.47 2dhm n ALA 20 Ca 0.05 -0.79 -0.10 0.00 0.00 0.00 0.00 53.44 52.60 2dhm n ALA 20 Cb 0.34 -0.61 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 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 0.45 -0.47 0.00 0.00 0.00 -0.35 -3.35 119.26 115.53 2dhm h ALA 21 Ca -0.41 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 2dhm h ALA 21 Cb 2.03 1.08 -0.02 0.00 0.00 0.00 0.00 17.79 20.88 2dhm h ALA 21 CO 0.06 -0.91 -1.42 1.19 0.00 0.00 0.00 179.25 178.17 2dhm n PHE 22 N -5.38 0.00 -2.29 0.00 3.72 -0.71 -5.04 117.46 107.77 2dhm n PHE 22 Ca 0.01 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 2dhm n PHE 22 Cb 0.34 -0.27 0.02 0.00 -0.94 0.00 0.00 39.48 38.62 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 -3.00 -1.47 0.00 -1.08 6.02 -0.87 -5.06 117.38 111.92 2dhm n GLN 23 Ca -0.14 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2dhm n GLN 23 Cb 0.62 -3.22 0.00 0.00 1.02 0.00 0.00 30.24 28.67 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 -0.21 -0.12 -1.09 -0.04 -1.26 -5.02 135.00 125.45 2dhm n PRO 24 Ca -0.06 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.22 2dhm n PRO 24 Cb 0.54 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.70 1.50 -4.24 0.52 0.24 -1.12 -4.99 118.33 108.54 2dhm n VAL 25 Ca 0.00 -0.60 -0.28 0.00 -2.04 0.00 0.00 64.34 61.42 2dhm n VAL 25 Cb 0.00 -1.36 -0.09 0.00 -1.47 0.00 0.00 33.84 30.91 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 -2.52 2.72 -0.29 6.34 5.36 -1.24 -5.01 117.98 123.34 2dhm s PHE 26 Ca -0.32 -0.17 -0.14 0.00 -0.96 0.00 0.00 56.93 55.33 2dhm s PHE 26 Cb 0.09 -1.38 0.10 0.00 -0.34 0.00 0.00 43.02 41.48 2dhm s PHE 26 CO 0.63 0.46 0.71 -1.17 -1.46 0.00 0.00 175.22 174.39 2dhm s LEU 27 N -2.49 -0.96 -0.07 6.12 2.96 -1.26 -3.40 118.68 119.58 2dhm s LEU 27 Ca 0.23 1.47 -0.29 0.00 -0.22 0.00 0.00 54.13 55.32 2dhm s LEU 27 Cb -0.10 2.31 0.07 0.00 0.50 0.00 0.00 46.19 48.96 2dhm s LEU 27 CO 0.15 -0.22 0.65 -0.70 -1.32 0.00 0.00 176.35 174.90 2dhm s GLU 28 N 1.96 0.99 -0.01 1.98 2.56 -0.89 -5.01 118.70 120.29 2dhm s GLU 28 Ca -0.09 0.30 -0.01 0.00 0.00 0.00 0.00 54.97 55.16 2dhm s GLU 28 Cb -0.07 0.47 -0.00 0.00 2.00 0.00 0.00 34.13 36.53 2dhm s GLU 28 CO -0.19 -0.29 0.03 0.08 -0.56 0.00 0.00 175.26 174.33 2dhm s VAL 29 N -1.03 0.02 -0.33 3.70 1.01 -1.26 -0.29 120.40 122.22 2dhm s VAL 29 Ca -0.10 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2dhm s VAL 29 Cb -0.01 -0.11 0.10 0.00 0.00 0.00 0.00 36.38 36.36 2dhm s VAL 29 CO 0.08 -0.09 0.04 -0.69 0.00 0.00 0.00 175.10 174.44 2dhm s VAL 30 N -0.27 2.15 -0.28 2.92 1.01 -0.86 -5.03 120.40 120.03 2dhm s VAL 30 Ca -0.03 -2.21 -0.13 0.00 0.00 0.00 0.00 61.98 59.61 2dhm s VAL 30 Cb -0.02 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2dhm s VAL 30 CO -0.00 -0.56 0.30 -0.62 0.00 0.00 0.00 175.10 174.22 2dhm s ASP 31 N 0.98 6.15 -0.14 3.32 2.15 -1.26 -3.57 116.67 124.30 2dhm s ASP 31 Ca 0.09 0.11 -0.00 0.00 0.43 0.00 0.00 52.55 53.18 2dhm s ASP 31 Cb -0.19 -2.17 0.03 0.00 -0.30 0.00 0.00 42.92 40.29 2dhm s ASP 31 CO -0.09 -0.15 -0.09 -1.83 -0.17 0.00 0.00 175.17 172.84 2dhm s GLU 32 N 1.94 1.75 0.00 4.34 4.04 -1.26 -4.96 118.70 124.55 2dhm s GLU 32 Ca 0.11 -0.46 0.00 0.00 0.04 0.00 0.00 54.97 54.67 2dhm s GLU 32 Cb -0.16 -1.91 0.00 0.00 0.02 0.00 0.00 34.13 32.08 2dhm s GLU 32 CO 0.11 -0.32 0.00 0.43 -1.84 0.00 0.00 175.26 173.64 2dhm n SER 33 N 4.86 0.36 -3.81 0.83 7.64 -1.26 -4.52 113.62 117.72 2dhm n SER 33 Ca -0.14 -0.40 -0.25 0.00 1.01 0.00 0.00 58.87 59.09 2dhm n SER 33 Cb 0.49 0.87 -0.07 0.00 -1.01 0.00 0.00 64.21 64.50 2dhm n SER 33 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2dhm n TYR 34 N -0.91 -0.90 -0.08 1.43 4.02 -1.26 -4.78 117.16 114.67 2dhm n TYR 34 Ca 0.00 0.46 -0.21 0.00 -0.01 0.00 0.00 57.90 58.14 2dhm n TYR 34 Cb 0.00 -1.86 -0.12 0.00 -0.02 0.00 0.00 39.34 37.33 2dhm n TYR 34 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2dhm n ARG 35 N -3.49 0.67 -0.07 -0.72 1.74 -1.25 -3.88 116.66 109.66 2dhm n ARG 35 Ca -0.15 0.24 -0.11 0.00 -0.77 0.00 0.00 57.85 57.06 2dhm n ARG 35 Cb 0.46 -1.60 -0.08 0.00 -1.02 0.00 0.00 32.46 30.22 2dhm n ARG 35 CO 0.00 0.00 0.00 1.12 -1.52 0.00 0.00 177.63 177.23 2dhm h HIS 36 N -0.18 0.00 -0.33 -1.55 2.07 -1.95 -3.38 115.15 109.82 2dhm h HIS 36 Ca -0.52 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.06 2dhm h HIS 36 Cb 1.86 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.77 2dhm h HIS 36 CO 0.04 0.74 -0.12 -0.97 -3.07 0.00 0.00 177.93 174.55 2dhm h ASN 37 N -1.00 -0.41 -4.18 3.10 -1.24 -1.97 -3.43 115.58 106.46 2dhm h ASN 37 Ca -0.07 0.11 -0.46 0.00 0.71 0.00 0.00 56.30 56.59 2dhm h ASN 37 Cb 0.76 0.24 -0.20 0.00 0.73 0.00 0.00 38.32 39.85 2dhm h ASN 37 CO -0.04 -0.15 -0.79 0.68 -1.29 0.00 0.00 177.43 175.85 2dhm s VAL 38 N -6.19 1.41 0.35 2.57 -7.23 -1.25 -5.15 120.40 104.91 2dhm s VAL 38 Ca -0.14 -1.55 -0.06 0.00 -1.81 0.00 0.00 61.98 58.42 2dhm s VAL 38 Cb 0.13 -1.42 0.09 0.00 0.56 0.00 0.00 36.38 35.74 2dhm s VAL 38 CO 0.70 -0.25 0.31 -0.81 -0.31 0.00 0.00 175.10 174.75 2dhm n PRO 39 N 0.90 -1.63 -1.03 4.82 -0.04 -1.26 -3.86 135.00 132.89 2dhm n PRO 39 Ca -0.18 -0.50 -0.41 0.00 -0.04 0.00 0.00 63.50 62.37 2dhm n PRO 39 Cb 0.55 -0.47 -0.06 0.00 -0.04 0.00 0.00 33.50 33.48 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 -3.54 -2.47 0.00 0.55 0.00 -1.26 -4.75 120.51 109.04 2dhm n ALA 40 Ca -0.06 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2dhm n ALA 40 Cb 0.17 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.18 2.13 3.64 0.00 0.00 -1.26 -5.16 105.19 105.70 2dhm n GLY 41 Ca 0.14 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 -0.20 -0.13 1.61 1.04 -1.26 -4.94 113.70 109.82 2dhm s SER 42 Ca 0.00 0.33 -0.07 0.00 0.48 0.00 0.00 55.95 56.69 2dhm s SER 42 Cb 0.00 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 2dhm s SER 42 CO 0.00 -0.10 0.12 -0.70 0.98 0.00 0.00 173.24 173.54 2dhm s GLU 43 N -0.26 3.56 -1.06 4.02 2.12 -1.26 -5.00 118.70 120.82 2dhm s GLU 43 Ca 0.05 -0.18 -0.24 0.00 0.36 0.00 0.00 54.97 54.96 2dhm s GLU 43 Cb -0.04 -3.20 -0.12 0.00 0.26 0.00 0.00 34.13 31.04 2dhm s GLU 43 CO -0.10 0.66 2.04 -1.12 -0.54 0.00 0.00 175.26 176.20 2dhm s SER 44 N -0.69 4.52 -0.49 -1.70 0.01 -1.26 -4.87 113.70 109.22 2dhm s SER 44 Ca 0.13 -1.10 -0.06 0.00 1.31 0.00 0.00 55.95 56.23 2dhm s SER 44 Cb -0.12 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 63.66 2dhm s SER 44 CO 0.03 -3.53 0.33 -2.28 0.41 0.00 0.00 173.24 168.20 2dhm s HIS 45 N 12.79 3.50 -0.09 2.43 2.46 -1.26 -4.73 115.29 130.38 2dhm s HIS 45 Ca 0.75 -2.21 -0.02 0.00 0.47 0.00 0.00 55.06 54.05 2dhm s HIS 45 Cb -0.04 -3.37 -0.03 0.00 -0.13 0.00 0.00 32.58 29.00 2dhm s HIS 45 CO 0.11 -0.96 -0.00 0.12 -2.47 0.00 0.00 174.74 171.53 2dhm s PHE 46 N 0.99 3.14 0.01 3.88 2.19 -1.26 -4.33 117.98 122.61 2dhm s PHE 46 Ca 0.09 0.15 0.00 0.00 0.33 0.00 0.00 56.93 57.50 2dhm s PHE 46 Cb -0.23 -1.80 -0.01 0.00 -1.31 0.00 0.00 43.02 39.66 2dhm s PHE 46 CO -0.03 0.42 -0.03 0.21 1.83 0.00 0.00 175.22 177.62 2dhm s LYS 47 N -0.76 0.24 -0.06 10.12 2.20 -1.23 -2.34 119.74 127.90 2dhm s LYS 47 Ca 0.12 -0.38 -0.04 0.00 -0.36 0.00 0.00 55.97 55.31 2dhm s LYS 47 Cb -0.11 -0.02 0.02 0.00 -1.51 0.00 0.00 37.83 36.20 2dhm s LYS 47 CO 0.02 -0.01 0.14 0.08 -0.36 0.00 0.00 175.35 175.23 2dhm s VAL 48 N -0.82 -0.02 -0.09 4.02 1.01 -1.24 -2.04 120.40 121.22 2dhm s VAL 48 Ca -0.08 0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.97 2dhm s VAL 48 Cb -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 2dhm s VAL 48 CO -0.00 0.02 -0.12 -0.69 0.00 0.00 0.00 175.10 174.31 2dhm s VAL 49 N 0.45 3.22 -0.27 2.92 1.01 0.60 -2.62 120.40 125.70 2dhm s VAL 49 Ca -0.03 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2dhm s VAL 49 Cb -0.04 -2.31 0.16 0.00 0.00 0.00 0.00 36.38 34.18 2dhm s VAL 49 CO -0.02 0.56 0.45 -0.22 0.00 0.00 0.00 175.10 175.88 2dhm s LEU 50 N -0.32 -0.91 -0.44 3.92 0.20 -1.19 -2.09 118.68 117.84 2dhm s LEU 50 Ca 0.03 0.22 -0.20 0.00 0.69 0.00 0.00 54.13 54.88 2dhm s LEU 50 Cb -0.13 1.42 0.03 0.00 -0.43 0.00 0.00 46.19 47.08 2dhm s LEU 50 CO 0.02 -0.30 0.61 -0.69 -0.29 0.00 0.00 176.35 175.70 2dhm s VAL 51 N 2.64 4.87 0.15 1.68 1.01 -1.22 -3.73 120.40 125.81 2dhm s VAL 51 Ca 0.14 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.14 2dhm s VAL 51 Cb -0.14 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 2dhm s VAL 51 CO -0.21 -0.59 -0.07 -0.55 0.00 0.00 0.00 175.10 173.68 2dhm s SER 52 N 2.02 1.60 -0.08 3.32 0.15 -1.10 -2.79 113.70 116.83 2dhm s SER 52 Ca 0.20 -1.06 0.09 0.00 0.70 0.00 0.00 55.95 55.88 2dhm s SER 52 Cb -0.15 0.03 -0.24 0.00 -1.71 0.00 0.00 66.02 63.95 2dhm s SER 52 CO 0.18 -0.41 0.52 -0.67 1.20 0.00 0.00 173.24 174.06 2dhm n ASP 53 N -0.21 1.09 -0.63 5.45 2.03 -1.26 -4.14 116.55 118.88 2dhm n ASP 53 Ca -0.09 0.32 0.49 0.00 0.52 0.00 0.00 54.79 56.02 2dhm n ASP 53 Cb 0.61 -0.14 0.75 0.00 -0.72 0.00 0.00 41.12 41.62 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 -3.12 0.00 -0.95 -0.67 5.12 -1.26 0.18 116.66 115.97 2dhm n ARG 54 Ca -0.22 1.03 -0.20 0.00 -1.93 0.00 0.00 57.85 56.53 2dhm n ARG 54 Cb 1.06 -2.41 0.06 0.00 -1.16 0.00 0.00 32.46 30.01 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 -3.76 1.97 0.05 -1.55 3.72 -1.26 -4.17 117.46 112.46 2dhm n PHE 55 Ca 0.41 -2.05 0.09 0.00 -0.05 0.00 0.00 57.45 55.85 2dhm n PHE 55 Cb 1.89 -1.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.36 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 -0.10 0.54 -2.37 4.37 5.66 0.49 -4.63 114.28 118.24 2dhm n THR 56 Ca 0.38 -0.57 -0.04 0.00 -3.05 0.00 0.00 64.05 60.78 2dhm n THR 56 Cb 0.74 -0.30 0.04 0.00 -1.55 0.00 0.00 70.33 69.26 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 1.26 1.26 3.96 1.09 0.00 -1.26 -5.14 105.19 106.36 2dhm n GLY 57 Ca -0.04 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 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 0.07 2.65 0.61 1.61 2.02 -1.26 -5.09 118.70 119.30 2dhm s GLU 58 Ca 0.05 -1.42 -0.18 0.00 0.02 0.00 0.00 54.97 53.44 2dhm s GLU 58 Cb 0.24 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 2dhm s GLU 58 CO -0.07 -0.33 1.21 1.03 0.02 0.00 0.00 175.26 177.12 2dhm s ARG 59 N -4.31 2.89 0.21 1.61 0.52 -1.26 -4.92 118.95 113.69 2dhm s ARG 59 Ca 0.53 1.83 -0.09 0.00 -0.52 0.00 0.00 55.73 57.47 2dhm s ARG 59 Cb -0.07 -1.92 0.22 0.00 0.52 0.00 0.00 34.95 33.70 2dhm s ARG 59 CO 0.32 -1.27 1.84 0.74 0.02 0.00 0.00 175.30 176.95 2dhm h PHE 60 N 0.77 0.82 0.71 -0.53 0.04 -2.01 -2.75 116.94 113.98 2dhm h PHE 60 Ca -0.50 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.26 2dhm h PHE 60 Cb 1.30 -0.26 0.01 0.00 2.20 0.00 0.00 35.95 39.19 2dhm h PHE 60 CO 0.46 0.45 -0.34 -0.07 -0.60 0.00 0.00 178.31 178.21 2dhm h LEU 61 N 0.84 -0.80 -0.86 1.54 4.07 -2.01 -3.11 115.31 114.98 2dhm h LEU 61 Ca 0.30 0.03 0.26 0.00 0.08 0.00 0.00 57.88 58.55 2dhm h LEU 61 Cb 0.07 0.21 -0.16 0.00 1.08 0.00 0.00 40.66 41.86 2dhm h LEU 61 CO -0.13 -0.49 0.11 0.59 -1.08 0.00 0.00 178.44 177.44 2dhm n ASN 62 N -5.03 -0.02 -0.37 -0.43 4.13 -1.18 0.21 115.26 112.58 2dhm n ASN 62 Ca -0.12 1.45 -0.00 0.00 1.68 0.00 0.00 54.58 57.59 2dhm n ASN 62 Cb 0.37 -0.56 0.05 0.00 -1.54 0.00 0.00 39.78 38.10 2dhm n ASN 62 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 2dhm h ARG 63 N 0.00 -0.01 0.00 3.52 2.43 -1.41 0.59 114.38 119.50 2dhm h ARG 63 Ca 0.56 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.57 2dhm h ARG 63 Cb 1.25 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 2dhm h ARG 63 CO -0.77 -0.01 -0.95 0.45 -1.51 0.00 0.00 179.97 177.18 2dhm h HIS 64 N -0.01 0.00 -0.71 2.20 3.86 -0.36 -3.35 115.15 116.78 2dhm h HIS 64 Ca 0.36 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.63 2dhm h HIS 64 Cb 0.61 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.00 2dhm h HIS 64 CO -0.85 1.14 -0.42 0.54 0.86 0.00 0.00 177.93 179.21 2dhm n ARG 65 N -4.50 -0.31 -0.22 2.45 1.74 0.45 -0.75 116.66 115.52 2dhm n ARG 65 Ca -0.24 1.31 -0.09 0.00 -0.77 0.00 0.00 57.85 58.05 2dhm n ARG 65 Cb 0.57 -1.93 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 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 -0.22 -0.61 5.56 2.86 -1.10 0.11 114.93 121.53 2dhm h MET 66 Ca 0.11 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.89 2dhm h MET 66 Cb 0.29 0.05 -0.12 0.00 0.06 0.00 0.00 31.60 31.88 2dhm h MET 66 CO -0.67 -0.15 -0.18 0.82 1.06 0.00 0.00 176.91 177.80 2dhm h ILE 67 N -0.23 0.35 0.32 -1.22 1.08 -1.08 -1.83 117.51 114.90 2dhm h ILE 67 Ca 0.16 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.64 2dhm h ILE 67 Cb 0.56 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 2dhm h ILE 67 CO -0.70 0.00 -0.36 1.88 -0.69 0.00 0.00 178.15 178.28 2dhm h TYR 68 N -0.02 -0.98 -0.82 1.37 0.05 0.38 -2.09 116.97 114.85 2dhm h TYR 68 Ca 0.29 0.01 0.34 0.00 0.05 0.00 0.00 58.73 59.42 2dhm h TYR 68 Cb 0.47 0.39 -0.15 0.00 1.01 0.00 0.00 36.73 38.45 2dhm h TYR 68 CO -0.52 -0.50 0.41 0.45 -1.05 0.00 0.00 178.16 176.95 2dhm n SER 69 N -5.46 0.26 -0.05 3.88 2.88 -0.34 0.23 113.62 115.01 2dhm n SER 69 Ca -0.09 1.37 -0.13 0.00 -1.33 0.00 0.00 58.87 58.69 2dhm n SER 69 Cb 0.36 -0.65 -0.07 0.00 -0.75 0.00 0.00 64.21 63.10 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 1.35 -0.74 2.46 2.02 -1.21 -3.24 112.91 113.54 2dhm h THR 70 Ca 0.68 -1.30 -0.46 0.00 0.77 0.00 0.00 66.41 66.11 2dhm h THR 70 Cb 1.79 1.87 -0.26 0.00 -1.74 0.00 0.00 68.15 69.81 2dhm h THR 70 CO -0.65 0.38 0.20 0.18 0.37 0.00 0.00 175.52 176.00 2dhm n LEU 71 N -4.56 5.83 -0.10 2.58 4.77 0.45 -4.78 117.00 121.19 2dhm n LEU 71 Ca -0.06 -4.09 -0.12 0.00 -0.03 0.00 0.00 56.01 51.71 2dhm n LEU 71 Cb 0.36 -0.72 -0.07 0.00 -2.33 0.00 0.00 43.42 40.66 2dhm n LEU 71 CO 0.39 1.45 0.54 0.00 -1.33 0.00 0.00 177.39 178.44 2dhm h ALA 72 N 1.51 -0.63 0.02 -1.18 0.00 0.29 -2.11 119.26 117.16 2dhm h ALA 72 Ca 0.45 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.18 2dhm h ALA 72 Cb 1.64 0.98 -0.02 0.00 0.00 0.00 0.00 17.79 20.39 2dhm h ALA 72 CO 0.95 -0.97 -1.01 1.49 0.00 0.00 0.00 179.25 179.71 2dhm h GLU 73 N -0.41 0.04 -0.73 0.00 4.81 -1.86 -3.28 114.58 113.15 2dhm h GLU 73 Ca 0.10 -0.07 0.29 0.00 -0.13 0.00 0.00 59.36 59.55 2dhm h GLU 73 Cb 0.61 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 29.88 2dhm h GLU 73 CO -0.55 1.03 0.34 0.39 -0.73 0.00 0.00 179.01 179.49 2dhm n GLU 74 N -4.38 -0.05 0.05 1.92 1.02 -1.22 -0.11 120.64 117.88 2dhm n GLU 74 Ca -0.26 1.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.85 2dhm n GLU 74 Cb 0.67 -1.80 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 2dhm n GLU 74 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2dhm h LEU 75 N 0.00 -0.19 -1.82 -4.62 3.38 -1.53 -3.29 115.31 107.24 2dhm h LEU 75 Ca 0.60 -0.07 0.38 0.00 0.09 0.00 0.00 57.88 58.88 2dhm h LEU 75 Cb 1.54 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 42.27 2dhm h LEU 75 CO -0.58 0.31 0.92 -1.28 0.09 0.00 0.00 178.44 177.89 2dhm h SER 76 N -1.04 0.11 0.00 -0.43 0.87 -0.47 0.54 113.55 113.12 2dhm h SER 76 Ca -0.02 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2dhm h SER 76 Cb 0.25 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2dhm h SER 76 CO 0.04 -0.01 0.00 0.41 -0.53 0.00 0.00 176.83 176.74 2dhm n THR 77 N -4.28 0.00 0.00 2.23 -1.04 0.74 -4.21 114.28 107.72 2dhm n THR 77 Ca 0.30 1.32 0.00 0.00 -2.04 0.00 0.00 64.05 63.63 2dhm n THR 77 Cb 1.34 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 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 -2.39 0.00 -3.29 12.58 5.66 -1.02 -5.03 114.28 120.78 2dhm n THR 78 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 2dhm n THR 78 Cb 0.00 -0.03 -0.06 0.00 -1.55 0.00 0.00 70.33 68.69 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 -1.97 4.77 -0.03 1.08 1.01 0.19 -4.98 120.40 120.47 2dhm s VAL 79 Ca 0.00 1.04 -0.00 0.00 0.00 0.00 0.00 61.98 63.02 2dhm s VAL 79 Cb 0.00 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 2dhm s VAL 79 CO 0.00 0.36 -0.03 1.41 0.00 0.00 0.00 175.10 176.85 2dhm n HIS 80 N 1.16 0.00 -3.97 5.22 -0.00 -1.26 -3.17 115.22 113.20 2dhm n HIS 80 Ca -0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.36 2dhm n HIS 80 Cb 0.51 -0.09 -0.17 0.00 -0.00 0.00 0.00 29.99 30.24 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 -2.05 1.64 0.04 -1.41 0.00 -1.26 -4.99 121.76 113.73 2dhm s ALA 81 Ca -0.03 -0.76 0.09 0.00 0.00 0.00 0.00 51.96 51.25 2dhm s ALA 81 Cb 0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2dhm s ALA 81 CO 0.05 -0.40 -0.25 -1.17 0.00 0.00 0.00 175.76 173.99 2dhm s LEU 82 N 1.58 2.16 -0.73 0.00 2.96 -1.26 -4.03 118.68 119.35 2dhm s LEU 82 Ca 0.05 -0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 2dhm s LEU 82 Cb -0.13 -1.21 0.19 0.00 0.50 0.00 0.00 46.19 45.54 2dhm s LEU 82 CO -0.10 0.24 0.62 0.00 -1.32 0.00 0.00 176.35 175.79 2dhm s ALA 83 N -0.78 3.86 0.12 5.97 0.00 -0.99 -5.04 121.76 124.89 2dhm s ALA 83 Ca 0.11 -3.25 -0.31 0.00 0.00 0.00 0.00 51.96 48.51 2dhm s ALA 83 Cb -0.10 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.80 2dhm s ALA 83 CO 0.02 -2.19 1.28 -0.51 0.00 0.00 0.00 175.76 174.35 2dhm s LEU 84 N 0.15 4.39 -0.45 0.00 1.43 -1.26 -3.69 118.68 119.25 2dhm s LEU 84 Ca 0.17 2.21 0.03 0.00 -1.03 0.00 0.00 54.13 55.51 2dhm s LEU 84 Cb -0.15 -3.59 0.13 0.00 0.03 0.00 0.00 46.19 42.61 2dhm s LEU 84 CO -0.06 -0.52 0.22 -1.00 0.23 0.00 0.00 176.35 175.22 2dhm s HIS 85 N 0.72 2.45 -0.20 0.29 3.76 -1.08 -5.02 115.29 116.21 2dhm s HIS 85 Ca 0.59 -2.65 -0.09 0.00 -0.15 0.00 0.00 55.06 52.76 2dhm s HIS 85 Cb -0.33 -2.23 -0.05 0.00 1.11 0.00 0.00 32.58 31.07 2dhm s HIS 85 CO 0.32 -0.79 0.11 0.95 -0.85 0.00 0.00 174.74 174.49 2dhm s THR 86 N 0.28 5.18 0.19 1.30 -4.23 -1.26 -3.17 115.64 113.93 2dhm s THR 86 Ca 0.16 0.11 0.08 0.00 -1.18 0.00 0.00 61.69 60.86 2dhm s THR 86 Cb -0.24 -3.36 -0.05 0.00 1.34 0.00 0.00 72.50 70.19 2dhm s THR 86 CO -0.02 0.43 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.03 2dhm s TYR 87 N 0.48 1.71 0.08 3.99 1.51 -1.24 -5.02 117.35 118.86 2dhm s TYR 87 Ca 0.06 -0.56 -0.04 0.00 -1.01 0.00 0.00 57.07 55.53 2dhm s TYR 87 Cb -0.12 -0.81 -0.05 0.00 -0.11 0.00 0.00 41.96 40.88 2dhm s TYR 87 CO -0.00 0.35 0.30 0.95 -1.11 0.00 0.00 175.55 176.04 2dhm s THR 88 N -2.79 5.26 0.36 -0.71 -4.23 -1.26 -2.73 115.64 109.55 2dhm s THR 88 Ca 0.21 -0.04 0.19 0.00 -1.18 0.00 0.00 61.69 60.87 2dhm s THR 88 Cb -0.02 -3.61 0.35 0.00 1.34 0.00 0.00 72.50 70.57 2dhm s THR 88 CO 0.07 0.16 1.63 0.40 -0.54 0.00 0.00 174.62 176.34 2dhm h ILE 89 N 2.33 0.18 0.59 2.99 5.03 -1.93 0.15 117.51 126.86 2dhm h ILE 89 Ca -0.47 -0.07 -0.03 0.00 -0.12 0.00 0.00 64.86 64.18 2dhm h ILE 89 Cb 1.17 -0.02 0.01 0.00 -3.03 0.00 0.00 36.82 34.94 2dhm h ILE 89 CO 0.72 0.04 -0.29 0.11 -0.68 0.00 0.00 178.15 178.05 2dhm h LYS 90 N 0.19 -0.77 -0.63 2.37 1.79 -1.97 0.36 116.57 117.91 2dhm h LYS 90 Ca 0.78 0.05 0.13 0.00 -2.18 0.00 0.00 60.65 59.43 2dhm h LYS 90 Cb 1.97 0.17 -0.09 0.00 -1.58 0.00 0.00 32.23 32.69 2dhm h LYS 90 CO -0.63 -0.48 0.12 0.93 -1.08 0.00 0.00 179.45 178.31 2dhm h GLU 91 N -1.15 0.23 -0.28 3.15 4.39 -1.42 -1.51 114.58 117.99 2dhm h GLU 91 Ca -0.08 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.52 2dhm h GLU 91 Cb 0.65 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2dhm h GLU 91 CO 0.13 0.15 -0.17 2.35 -1.16 0.00 0.00 179.01 180.32 2dhm h TRP 92 N 0.23 0.71 -1.00 4.33 -0.00 -0.83 0.26 115.95 119.66 2dhm h TRP 92 Ca 0.34 -0.19 0.38 0.00 -0.00 0.00 0.00 58.89 59.42 2dhm h TRP 92 Cb 0.53 -0.16 -0.17 0.00 -0.00 0.00 0.00 29.16 29.36 2dhm h TRP 92 CO -0.27 0.87 0.49 0.93 -0.00 0.00 0.00 178.44 180.46 2dhm h GLU 93 N 0.35 0.09 -0.86 2.65 4.39 0.80 -2.98 114.58 119.02 2dhm h GLU 93 Ca 0.06 -0.01 -0.34 0.00 0.34 0.00 0.00 59.36 59.41 2dhm h GLU 93 Cb 0.70 -0.02 -0.29 0.00 -0.10 0.00 0.00 28.75 29.03 2dhm h GLU 93 CO 0.05 0.06 -0.85 0.41 -1.16 0.00 0.00 179.01 177.51 2dhm n GLY 94 N -1.29 1.89 0.13 -3.84 0.00 -1.10 -4.97 105.19 96.01 2dhm n GLY 94 Ca 0.35 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 2.79 -0.18 -3.52 0.99 7.12 -0.32 -3.15 115.31 119.05 2dhm h LEU 95 Ca -0.08 -0.29 -0.30 0.00 0.13 0.00 0.00 57.88 57.34 2dhm h LEU 95 Cb 1.12 0.05 -0.13 0.00 -0.53 0.00 0.00 40.66 41.18 2dhm h LEU 95 CO 0.30 0.22 0.36 1.67 -0.13 0.00 0.00 178.44 180.85 2dhm n GLN 96 N -5.01 1.77 -3.54 1.25 7.27 -1.26 -4.74 117.38 113.13 2dhm n GLN 96 Ca -0.09 -1.45 0.00 0.00 0.07 0.00 0.00 57.00 55.53 2dhm n GLN 96 Cb 0.24 -1.60 -0.04 0.00 2.41 0.00 0.00 30.24 31.25 2dhm n GLN 96 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2dhm s ASP 97 N 0.42 -1.08 -0.30 1.69 2.15 -1.19 -5.13 116.67 113.23 2dhm s ASP 97 Ca 0.31 1.34 -0.00 0.00 0.43 0.00 0.00 52.55 54.62 2dhm s ASP 97 Cb 0.23 2.17 0.06 0.00 -0.30 0.00 0.00 42.92 45.08 2dhm s ASP 97 CO -0.02 -0.21 -0.01 0.42 -0.17 0.00 0.00 175.17 175.18 2dhm s THR 98 N 2.83 2.79 0.47 1.71 -4.23 -1.26 -4.83 115.64 113.11 2dhm s THR 98 Ca -0.02 -1.51 -0.23 0.00 -1.18 0.00 0.00 61.69 58.75 2dhm s THR 98 Cb -0.11 -2.64 -0.07 0.00 1.34 0.00 0.00 72.50 71.01 2dhm s THR 98 CO -0.19 -0.14 1.18 0.68 -0.54 0.00 0.00 174.62 175.61 2dhm s VAL 99 N 1.20 3.04 0.28 2.29 -7.23 -1.26 -5.05 120.40 113.68 2dhm s VAL 99 Ca -0.05 0.77 0.08 0.00 -1.81 0.00 0.00 61.98 60.98 2dhm s VAL 99 Cb -0.20 -3.39 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 2dhm s VAL 99 CO -0.02 -0.02 0.13 0.72 -0.31 0.00 0.00 175.10 175.60 2dhm s PHE 100 N -1.54 2.87 0.25 2.82 -0.12 -1.26 -5.14 117.98 115.86 2dhm s PHE 100 Ca 0.65 -0.22 -0.19 0.00 -0.05 0.00 0.00 56.93 57.11 2dhm s PHE 100 Cb -0.29 -1.43 0.02 0.00 -0.63 0.00 0.00 43.02 40.69 2dhm s PHE 100 CO 0.35 0.48 0.64 0.00 -0.05 0.00 0.00 175.22 176.64 2dhm s ALA 101 N -2.28 -1.04 -0.13 1.99 0.00 -1.26 -5.18 121.76 113.86 2dhm s ALA 101 Ca 0.34 -0.33 -0.18 0.00 0.00 0.00 0.00 51.96 51.80 2dhm s ALA 101 Cb -0.06 0.89 0.04 0.00 0.00 0.00 0.00 23.12 24.00 2dhm s ALA 101 CO 0.23 -0.95 0.46 -1.54 0.00 0.00 0.00 175.76 173.96 2dhm s SER 102 N -2.92 -0.45 0.33 0.00 1.04 -1.26 -5.15 113.70 105.29 2dhm s SER 102 Ca 0.12 0.75 -0.28 0.00 0.48 0.00 0.00 55.95 57.02 2dhm s SER 102 Cb -0.04 0.79 -0.10 0.00 0.10 0.00 0.00 66.02 66.77 2dhm s SER 102 CO 0.04 -0.27 1.22 -2.16 0.98 0.00 0.00 173.24 173.05 2dhm s PRO 103 N -0.22 4.36 1.10 4.02 0.04 -1.26 -5.03 135.00 138.01 2dhm s PRO 103 Ca -0.04 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 2dhm s PRO 103 Cb -0.03 -3.02 0.24 0.00 0.04 0.00 0.00 34.50 31.73 2dhm s PRO 103 CO 0.02 -0.11 1.10 -1.25 0.04 0.00 0.00 177.00 176.81 2dhm s PRO 104 N -1.81 -0.42 0.38 0.56 0.04 -1.26 -5.09 135.00 127.41 2dhm s PRO 104 Ca 0.49 0.22 0.04 0.00 0.04 0.00 0.00 61.00 61.80 2dhm s PRO 104 Cb -0.36 -1.66 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2dhm s PRO 104 CO 0.46 -3.24 0.05 0.00 0.04 0.00 0.00 177.00 174.32 2dhm n ARG 106 N -0.87 -3.80 0.00 0.00 1.85 -1.26 -5.35 116.66 107.23 2dhm n ARG 106 Ca -0.06 -1.12 0.00 0.00 -1.00 0.00 0.00 57.85 55.67 2dhm n ARG 106 Cb 0.66 -1.89 0.00 0.00 -1.05 0.00 0.00 32.46 30.18 2dhm n ARG 106 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03