#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 0.04 -0.18 1.61 0.01 -1.26 -5.06 113.70 108.86 2dhm s SER 2 Ca 0.00 0.05 -0.15 0.00 1.31 0.00 0.00 55.95 57.15 2dhm s SER 2 Cb 0.00 -0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.13 2dhm s SER 2 CO 0.00 -0.10 -0.26 -1.20 0.41 0.00 0.00 173.24 172.09 2dhm n SER 3 N 3.90 1.90 -2.88 2.44 7.64 -1.26 -5.08 113.62 120.28 2dhm n SER 3 Ca -0.24 0.43 -0.00 0.00 1.01 0.00 0.00 58.87 60.07 2dhm n SER 3 Cb 0.53 -0.80 -0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2dhm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dhm n GLY 4 N 1.48 -2.83 3.20 0.23 0.00 -1.26 -5.05 105.19 100.96 2dhm n GLY 4 Ca -0.18 0.33 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 2dhm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dhm s SER 5 N -1.39 -0.38 0.01 1.61 0.15 -1.26 -5.16 113.70 107.28 2dhm s SER 5 Ca -0.00 0.70 -0.29 0.00 0.70 0.00 0.00 55.95 57.06 2dhm s SER 5 Cb 0.00 0.65 0.11 0.00 -1.71 0.00 0.00 66.02 65.07 2dhm s SER 5 CO 0.51 -0.15 1.25 -0.94 1.20 0.00 0.00 173.24 175.12 2dhm s SER 6 N 0.75 -0.05 0.54 5.45 1.04 -1.26 -5.19 113.70 114.99 2dhm s SER 6 Ca -0.05 -0.20 0.07 0.00 0.48 0.00 0.00 55.95 56.25 2dhm s SER 6 Cb -0.06 0.20 0.05 0.00 0.10 0.00 0.00 66.02 66.30 2dhm s SER 6 CO -0.05 -0.37 0.50 -0.83 0.98 0.00 0.00 173.24 173.47 2dhm s GLY 7 N -3.19 2.18 -0.27 7.32 0.00 -1.26 -5.06 107.32 107.04 2dhm s GLY 7 Ca 0.18 -1.55 0.14 0.00 0.00 0.00 0.00 44.72 43.49 2dhm s GLY 7 CO -0.02 -1.85 1.16 1.15 0.00 0.00 0.00 173.10 173.53 2dhm n MET 8 N -1.87 2.68 -1.46 2.90 -0.00 -1.26 -4.99 117.12 113.12 2dhm n MET 8 Ca 0.03 -3.81 -0.31 0.00 -0.00 0.00 0.00 57.70 53.61 2dhm n MET 8 Cb 0.63 -1.92 0.07 0.00 -0.00 0.00 0.00 33.22 32.00 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 -3.59 2.69 0.33 3.17 1.00 -1.26 -4.85 119.30 116.79 2dhm s MET 9 Ca 0.40 1.03 0.03 0.00 0.00 0.00 0.00 55.69 57.15 2dhm s MET 9 Cb 0.37 -1.96 0.64 0.00 0.00 0.00 0.00 34.83 33.88 2dhm s MET 9 CO -0.00 -1.30 1.93 0.82 0.00 0.00 0.00 175.02 176.47 2dhm h ILE 10 N -0.87 1.03 -0.14 2.53 1.08 -1.99 -0.29 117.51 118.86 2dhm h ILE 10 Ca -0.44 -0.30 0.04 0.00 -0.39 0.00 0.00 64.86 63.77 2dhm h ILE 10 Cb 1.22 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 2dhm h ILE 10 CO 0.55 0.16 0.10 0.03 -0.69 0.00 0.00 178.15 178.30 2dhm h ARG 11 N 0.89 0.00 0.03 2.37 3.08 -2.00 -1.79 114.38 116.96 2dhm h ARG 11 Ca 0.36 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 2dhm h ARG 11 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2dhm h ARG 11 CO -0.13 0.00 -0.01 0.93 -1.07 0.00 0.00 179.97 179.68 2dhm h GLU 12 N 0.00 -0.04 -1.03 0.04 3.07 -1.42 -2.76 114.58 112.44 2dhm h GLU 12 Ca 0.06 0.00 0.28 0.00 -0.50 0.00 0.00 59.36 59.21 2dhm h GLU 12 Cb 0.27 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.12 2dhm h GLU 12 CO -0.00 0.32 0.71 0.07 -1.40 0.00 0.00 179.01 178.71 2dhm h ARG 13 N -0.99 0.19 0.15 2.33 0.11 -1.25 0.63 114.38 115.55 2dhm h ARG 13 Ca -0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 2dhm h ARG 13 Cb 0.38 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.42 2dhm h ARG 13 CO 0.01 0.12 -0.07 0.82 0.10 0.00 0.00 179.97 180.95 2dhm h ILE 14 N 0.19 0.00 0.29 0.08 2.04 -1.42 -3.31 117.51 115.38 2dhm h ILE 14 Ca 0.53 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 66.05 2dhm h ILE 14 Cb 1.73 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2dhm h ILE 14 CO -0.13 0.00 -0.29 -0.33 0.00 0.00 0.00 178.15 177.40 2dhm h GLU 15 N -0.55 -0.58 -1.37 2.37 4.39 -1.14 -1.83 114.58 115.87 2dhm h GLU 15 Ca -0.02 0.04 0.42 0.00 0.34 0.00 0.00 59.36 60.13 2dhm h GLU 15 Cb 0.16 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.87 2dhm h GLU 15 CO 0.03 -0.39 0.97 0.39 -1.16 0.00 0.00 179.01 178.85 2dhm n GLU 16 N -5.41 -0.01 -0.08 2.33 -0.58 0.22 0.11 120.64 117.22 2dhm n GLU 16 Ca -0.09 0.86 -0.16 0.00 -0.42 0.00 0.00 57.16 57.35 2dhm n GLU 16 Cb 0.31 -1.89 -0.10 0.00 -0.57 0.00 0.00 31.44 29.19 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 0.00 -0.02 3.49 1.57 -1.43 -3.34 116.57 116.84 2dhm h LYS 17 Ca 0.70 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.49 2dhm h LYS 17 Cb 2.67 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.98 2dhm h LYS 17 CO -0.11 0.83 0.11 -0.07 -0.57 0.00 0.00 179.45 179.64 2dhm h LEU 18 N -1.00 0.00 0.75 2.94 3.38 0.12 0.43 115.31 121.93 2dhm h LEU 18 Ca -0.16 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2dhm h LEU 18 Cb 1.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.77 2dhm h LEU 18 CO -0.10 0.00 -0.36 0.03 0.09 0.00 0.00 178.44 178.10 2dhm h ARG 19 N 0.00 -0.98 0.10 1.13 3.08 -0.53 -2.88 114.38 114.30 2dhm h ARG 19 Ca 0.01 0.07 -0.29 0.00 0.07 0.00 0.00 59.98 59.84 2dhm h ARG 19 Cb 0.23 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2dhm h ARG 19 CO -0.00 -0.65 -1.44 0.00 -1.07 0.00 0.00 179.97 176.80 2dhm h ALA 20 N -1.46 0.30 -0.73 0.04 0.00 -1.64 -0.36 119.26 115.41 2dhm h ALA 20 Ca -0.10 -1.09 0.13 0.00 0.00 0.00 0.00 54.91 53.85 2dhm h ALA 20 Cb 0.78 0.21 -0.13 0.00 0.00 0.00 0.00 17.79 18.64 2dhm h ALA 20 CO 0.17 1.17 -0.32 0.00 0.00 0.00 0.00 179.25 180.26 2dhm h ALA 21 N 0.60 0.11 0.00 0.00 0.00 -0.26 -3.36 119.26 116.36 2dhm h ALA 21 Ca -0.20 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2dhm h ALA 21 Cb 1.98 0.81 0.00 0.00 0.00 0.00 0.00 17.79 20.58 2dhm h ALA 21 CO 0.16 -0.61 -0.97 1.19 0.00 0.00 0.00 179.25 179.01 2dhm n PHE 22 N -5.46 0.00 -2.15 0.00 3.72 -1.16 -5.06 117.46 107.36 2dhm n PHE 22 Ca 0.07 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.43 2dhm n PHE 22 Cb 0.38 0.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.95 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 -2.79 -1.12 -0.62 -1.08 6.02 -0.14 -5.06 117.38 112.59 2dhm n GLN 23 Ca 0.00 0.22 -0.18 0.00 -0.01 0.00 0.00 57.00 57.03 2dhm n GLN 23 Cb 0.48 -2.97 0.15 0.00 1.02 0.00 0.00 30.24 28.93 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 -1.86 -2.31 0.01 -1.09 -0.04 -1.26 -4.99 135.00 123.46 2dhm n PRO 24 Ca -0.05 -1.05 -0.10 0.00 -0.04 0.00 0.00 63.50 62.26 2dhm n PRO 24 Cb 0.54 -0.98 -0.14 0.00 -0.04 0.00 0.00 33.50 32.88 2dhm n PRO 24 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2dhm h VAL 25 N -2.25 1.04 -3.97 0.52 3.04 -1.96 -3.47 116.25 109.20 2dhm h VAL 25 Ca -0.25 -2.83 -0.49 0.00 -1.01 0.00 0.00 66.70 62.12 2dhm h VAL 25 Cb 0.76 2.55 -0.22 0.00 -2.01 0.00 0.00 31.29 32.36 2dhm h VAL 25 CO 0.16 0.65 -0.81 0.12 -1.01 0.00 0.00 177.57 176.68 2dhm s PHE 26 N -2.62 1.49 -0.24 3.17 5.36 -1.25 -5.00 117.98 118.89 2dhm s PHE 26 Ca -0.05 -0.42 -0.19 0.00 -0.96 0.00 0.00 56.93 55.31 2dhm s PHE 26 Cb 0.08 -0.84 0.06 0.00 -0.34 0.00 0.00 43.02 41.99 2dhm s PHE 26 CO 0.82 0.11 0.61 -1.17 -1.46 0.00 0.00 175.22 174.14 2dhm s LEU 27 N -1.66 -0.46 -0.07 6.12 2.96 -1.26 -3.14 118.68 121.18 2dhm s LEU 27 Ca 0.03 1.27 -0.30 0.00 -0.22 0.00 0.00 54.13 54.90 2dhm s LEU 27 Cb -0.10 2.09 0.11 0.00 0.50 0.00 0.00 46.19 48.80 2dhm s LEU 27 CO 0.03 -0.22 0.97 -0.70 -1.32 0.00 0.00 176.35 175.11 2dhm s GLU 28 N 0.72 0.68 0.01 1.98 2.56 -0.73 -4.99 118.70 118.93 2dhm s GLU 28 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.97 54.74 2dhm s GLU 28 Cb -0.05 0.31 -0.01 0.00 2.00 0.00 0.00 34.13 36.39 2dhm s GLU 28 CO -0.05 -0.29 -0.02 0.08 -0.56 0.00 0.00 175.26 174.42 2dhm s VAL 29 N -2.70 0.14 -0.21 3.70 1.01 -1.26 -0.50 120.40 120.57 2dhm s VAL 29 Ca 0.05 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.61 2dhm s VAL 29 Cb -0.01 -0.19 0.04 0.00 0.00 0.00 0.00 36.38 36.22 2dhm s VAL 29 CO -0.07 -0.19 -0.16 -0.69 0.00 0.00 0.00 175.10 173.99 2dhm s VAL 30 N -0.64 2.13 -0.35 2.92 1.01 -0.10 -5.01 120.40 120.38 2dhm s VAL 30 Ca -0.06 -1.23 -0.14 0.00 0.00 0.00 0.00 61.98 60.55 2dhm s VAL 30 Cb -0.05 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 2dhm s VAL 30 CO -0.00 0.30 0.32 1.51 0.00 0.00 0.00 175.10 177.22 2dhm s ASP 31 N 1.21 6.13 -0.49 3.32 -4.77 -1.26 -3.05 116.67 117.76 2dhm s ASP 31 Ca -0.01 -0.35 0.04 0.00 -3.30 0.00 0.00 52.55 48.93 2dhm s ASP 31 Cb -0.16 -2.17 0.17 0.00 -1.09 0.00 0.00 42.92 39.66 2dhm s ASP 31 CO -0.09 -0.31 0.37 -1.61 0.70 0.00 0.00 175.17 174.22 2dhm s GLU 32 N 1.90 1.35 -0.34 2.11 0.41 -1.26 -5.05 118.70 117.82 2dhm s GLU 32 Ca 0.09 -2.41 0.00 0.00 -0.41 0.00 0.00 54.97 52.25 2dhm s GLU 32 Cb -0.17 -2.05 0.11 0.00 -1.78 0.00 0.00 34.13 30.24 2dhm s GLU 32 CO 0.11 -1.33 0.12 -1.54 -0.49 0.00 0.00 175.26 172.13 2dhm s SER 33 N -0.29 4.07 0.00 -0.19 1.04 -1.26 -4.43 113.70 112.64 2dhm s SER 33 Ca 0.29 -1.90 0.00 0.00 0.48 0.00 0.00 55.95 54.82 2dhm s SER 33 Cb -0.02 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 65.09 2dhm s SER 33 CO -0.16 -0.38 0.00 -1.22 0.98 0.00 0.00 173.24 172.45 2dhm n TYR 34 N 4.52 0.00 0.34 5.02 4.02 -1.26 -4.66 117.16 125.14 2dhm n TYR 34 Ca 0.01 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.07 2dhm n TYR 34 Cb 0.41 0.00 0.92 0.00 -0.02 0.00 0.00 39.34 40.64 2dhm n TYR 34 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 2dhm h ARG 35 N 0.00 0.00 -1.77 -0.72 0.11 -1.91 -2.39 114.38 107.70 2dhm h ARG 35 Ca 0.00 0.00 0.53 0.00 0.10 0.00 0.00 59.98 60.61 2dhm h ARG 35 Cb 0.93 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.92 2dhm h ARG 35 CO 0.00 0.00 1.25 1.12 0.10 0.00 0.00 179.97 182.44 2dhm h HIS 36 N 0.00 0.11 0.00 4.08 2.07 -1.84 -3.12 115.15 116.45 2dhm h HIS 36 Ca 0.00 0.00 -0.65 0.00 -2.85 0.00 0.00 60.37 56.88 2dhm h HIS 36 Cb 0.51 -0.03 0.05 0.00 2.57 0.00 0.00 27.41 30.52 2dhm h HIS 36 CO 0.00 -0.05 2.28 -1.71 -3.07 0.00 0.00 177.93 175.38 2dhm n ASN 37 N -4.12 2.49 -3.50 3.10 5.15 -0.90 -4.77 115.26 112.70 2dhm n ASN 37 Ca 0.41 -2.67 -0.16 0.00 -0.60 0.00 0.00 54.58 51.56 2dhm n ASN 37 Cb 1.83 -1.09 -0.05 0.00 -0.53 0.00 0.00 39.78 39.94 2dhm n ASN 37 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2dhm s VAL 38 N 5.04 0.00 0.00 3.44 -7.23 -1.18 -5.18 120.40 115.29 2dhm s VAL 38 Ca 0.58 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.75 2dhm s VAL 38 Cb 0.14 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 36.08 2dhm s VAL 38 CO 0.12 0.00 0.00 -0.81 -0.31 0.00 0.00 175.10 174.10 2dhm n PRO 39 N 0.62 -0.16 -1.15 4.82 -0.04 -1.26 -4.81 135.00 133.01 2dhm n PRO 39 Ca -0.18 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.83 2dhm n PRO 39 Cb 0.59 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.98 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 -3.00 -1.51 0.00 0.55 0.00 -1.26 -4.47 120.51 110.82 2dhm n ALA 40 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2dhm n ALA 40 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 2.19 0.70 3.63 0.00 0.00 -1.26 -5.16 105.19 105.29 2dhm n GLY 41 Ca 0.19 -0.97 -0.05 0.00 0.00 0.00 0.00 46.02 45.19 2dhm n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dhm s SER 42 N 0.00 -0.17 0.43 1.61 0.15 -1.26 -4.91 113.70 109.54 2dhm s SER 42 Ca 0.00 0.26 0.07 0.00 0.70 0.00 0.00 55.95 56.97 2dhm s SER 42 Cb 0.00 0.23 -0.05 0.00 -1.71 0.00 0.00 66.02 64.50 2dhm s SER 42 CO 0.00 -0.11 0.14 -1.61 1.20 0.00 0.00 173.24 172.87 2dhm s GLU 43 N -0.52 2.17 -0.18 5.44 0.41 -1.26 -5.11 118.70 119.65 2dhm s GLU 43 Ca 0.05 -1.97 -0.03 0.00 -0.41 0.00 0.00 54.97 52.62 2dhm s GLU 43 Cb -0.03 -1.88 0.06 0.00 -1.78 0.00 0.00 34.13 30.50 2dhm s GLU 43 CO -0.08 -0.16 0.04 -1.54 -0.49 0.00 0.00 175.26 173.03 2dhm s SER 44 N -3.89 2.64 0.35 -0.19 1.04 -1.26 -4.70 113.70 107.69 2dhm s SER 44 Ca 0.36 -0.70 -0.10 0.00 0.48 0.00 0.00 55.95 56.00 2dhm s SER 44 Cb 0.05 -0.50 -0.07 0.00 0.10 0.00 0.00 66.02 65.60 2dhm s SER 44 CO 0.20 -0.30 0.69 -1.00 0.98 0.00 0.00 173.24 173.80 2dhm s HIS 45 N 1.93 3.45 -0.25 5.02 3.76 -1.26 -2.17 115.29 125.77 2dhm s HIS 45 Ca 0.00 0.95 -0.20 0.00 -0.15 0.00 0.00 55.06 55.67 2dhm s HIS 45 Cb -0.16 -2.35 0.07 0.00 1.11 0.00 0.00 32.58 31.24 2dhm s HIS 45 CO -0.08 0.03 0.66 0.12 -0.85 0.00 0.00 174.74 174.61 2dhm s PHE 46 N -2.19 -0.84 0.01 1.40 5.36 -1.23 -4.43 117.98 116.05 2dhm s PHE 46 Ca 0.49 1.88 0.05 0.00 -0.96 0.00 0.00 56.93 58.39 2dhm s PHE 46 Cb -0.10 0.39 -0.02 0.00 -0.34 0.00 0.00 43.02 42.95 2dhm s PHE 46 CO 0.28 -0.41 -0.16 0.21 -1.46 0.00 0.00 175.22 173.68 2dhm s LYS 47 N 0.88 1.19 -0.02 10.12 2.20 -1.17 -0.32 119.74 132.62 2dhm s LYS 47 Ca -0.04 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 2dhm s LYS 47 Cb -0.05 -1.18 0.02 0.00 -1.51 0.00 0.00 37.83 35.11 2dhm s LYS 47 CO -0.07 0.31 0.00 0.08 -0.36 0.00 0.00 175.35 175.31 2dhm s VAL 48 N -0.52 0.10 -0.11 4.02 1.01 -1.17 -0.92 120.40 122.80 2dhm s VAL 48 Ca 0.05 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 2dhm s VAL 48 Cb -0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 2dhm s VAL 48 CO 0.00 0.09 0.00 -0.69 0.00 0.00 0.00 175.10 174.50 2dhm s VAL 49 N 0.62 4.30 -0.28 2.92 1.01 0.35 -1.71 120.40 127.61 2dhm s VAL 49 Ca -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 2dhm s VAL 49 Cb -0.08 -2.84 0.18 0.00 0.00 0.00 0.00 36.38 33.63 2dhm s VAL 49 CO -0.01 0.56 0.54 -0.22 0.00 0.00 0.00 175.10 175.97 2dhm s LEU 50 N -0.45 -1.20 -0.17 3.92 0.20 -1.17 -1.78 118.68 118.04 2dhm s LEU 50 Ca 0.08 0.66 -0.22 0.00 0.69 0.00 0.00 54.13 55.33 2dhm s LEU 50 Cb -0.12 1.87 -0.02 0.00 -0.43 0.00 0.00 46.19 47.49 2dhm s LEU 50 CO 0.02 -0.27 0.70 -0.69 -0.29 0.00 0.00 176.35 175.82 2dhm s VAL 51 N 2.77 4.99 0.08 1.68 1.01 -1.19 -3.28 120.40 126.46 2dhm s VAL 51 Ca 0.18 1.35 -0.18 0.00 0.00 0.00 0.00 61.98 63.33 2dhm s VAL 51 Cb -0.15 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.26 2dhm s VAL 51 CO -0.20 0.11 0.44 -0.44 0.00 0.00 0.00 175.10 175.01 2dhm s SER 52 N 1.11 -0.31 -0.09 3.32 0.01 -1.02 -3.15 113.70 113.58 2dhm s SER 52 Ca 0.33 -0.08 0.06 0.00 1.31 0.00 0.00 55.95 57.57 2dhm s SER 52 Cb -0.16 0.46 -0.24 0.00 0.21 0.00 0.00 66.02 66.29 2dhm s SER 52 CO 0.12 -0.75 0.47 -0.67 0.41 0.00 0.00 173.24 172.82 2dhm n ASP 53 N 0.20 1.29 -0.21 2.44 2.03 -1.26 -3.80 116.55 117.24 2dhm n ASP 53 Ca -0.18 0.28 0.28 0.00 0.52 0.00 0.00 54.79 55.70 2dhm n ASP 53 Cb 0.61 -0.27 0.44 0.00 -0.72 0.00 0.00 41.12 41.19 2dhm n ASP 53 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2dhm h ARG 54 N 0.03 0.00 -1.56 -0.67 2.47 -2.00 0.57 114.38 113.22 2dhm h ARG 54 Ca -0.37 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.06 2dhm h ARG 54 Cb 2.04 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 30.23 2dhm h ARG 54 CO 0.07 0.00 0.37 1.19 0.56 0.00 0.00 179.97 182.16 2dhm n PHE 55 N -3.26 1.37 -3.68 3.04 3.72 -1.26 -4.79 117.46 112.61 2dhm n PHE 55 Ca 0.23 -1.84 -0.37 0.00 -0.05 0.00 0.00 57.45 55.41 2dhm n PHE 55 Cb 1.52 -0.90 -0.11 0.00 -0.94 0.00 0.00 39.48 39.04 2dhm n PHE 55 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2dhm s THR 56 N -2.03 4.92 0.00 4.37 2.01 0.20 -4.70 115.64 120.41 2dhm s THR 56 Ca 0.28 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.31 2dhm s THR 56 Cb 0.22 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.40 2dhm s THR 56 CO -0.00 0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 2dhm n GLY 57 N 4.88 1.63 2.54 4.40 0.00 -1.26 -4.95 105.19 112.43 2dhm n GLY 57 Ca -0.15 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 0.00 -0.44 1.61 0.28 -1.26 -4.87 120.64 115.96 2dhm n GLU 58 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.72 2dhm n GLU 58 Cb 0.00 -0.77 0.23 0.00 1.43 0.00 0.00 31.44 32.34 2dhm n GLU 58 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2dhm n ARG 59 N 0.99 -3.10 -0.09 3.44 5.12 -1.26 -4.91 116.66 116.85 2dhm n ARG 59 Ca 0.09 -0.90 -0.16 0.00 -1.93 0.00 0.00 57.85 54.95 2dhm n ARG 59 Cb 0.29 -1.85 -0.08 0.00 -1.16 0.00 0.00 32.46 29.66 2dhm n ARG 59 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2dhm n PHE 60 N -5.06 0.93 -0.32 -1.55 3.72 -1.26 -3.37 117.46 110.54 2dhm n PHE 60 Ca 0.06 0.40 0.05 0.00 -0.05 0.00 0.00 57.45 57.91 2dhm n PHE 60 Cb 0.54 -0.98 0.13 0.00 -0.94 0.00 0.00 39.48 38.23 2dhm n PHE 60 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2dhm h LEU 61 N -1.00 -0.79 0.13 4.37 6.46 -2.01 0.24 115.31 122.71 2dhm h LEU 61 Ca -0.25 0.27 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2dhm h LEU 61 Cb 1.05 0.54 0.00 0.00 -0.73 0.00 0.00 40.66 41.53 2dhm h LEU 61 CO -0.15 -0.30 -0.06 -1.13 -0.62 0.00 0.00 178.44 176.18 2dhm h ASN 62 N 0.01 -0.14 -0.88 1.25 -1.24 -1.97 -3.12 115.58 109.48 2dhm h ASN 62 Ca 0.44 -0.24 0.21 0.00 0.71 0.00 0.00 56.30 57.42 2dhm h ASN 62 Cb 0.70 0.04 -0.17 0.00 0.73 0.00 0.00 38.32 39.62 2dhm h ASN 62 CO -0.91 0.17 -0.10 -1.14 -1.29 0.00 0.00 177.43 174.16 2dhm n ARG 63 N -5.03 -0.07 -0.11 6.67 0.63 0.02 0.13 116.66 118.89 2dhm n ARG 63 Ca -0.09 1.35 -0.09 0.00 -0.92 0.00 0.00 57.85 58.10 2dhm n ARG 63 Cb 0.20 -2.08 -0.01 0.00 0.45 0.00 0.00 32.46 31.02 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 0.47 -0.97 -0.14 -0.00 -1.36 -3.08 115.15 110.06 2dhm h HIS 64 Ca 0.48 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.96 2dhm h HIS 64 Cb 0.88 -0.15 -0.13 0.00 -0.00 0.00 0.00 27.41 28.00 2dhm h HIS 64 CO -0.56 0.35 -0.51 0.00 -0.00 0.00 0.00 177.93 177.20 2dhm h ARG 65 N 0.45 -0.01 -0.41 2.45 3.08 0.11 0.11 114.38 120.16 2dhm h ARG 65 Ca 0.13 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.24 2dhm h ARG 65 Cb 0.02 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.99 2dhm h ARG 65 CO -0.02 -0.01 -0.44 0.52 -1.07 0.00 0.00 179.97 178.95 2dhm h MET 66 N -0.02 -0.32 -0.19 0.04 2.86 -1.43 0.84 114.93 116.72 2dhm h MET 66 Ca 0.23 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.94 2dhm h MET 66 Cb 0.48 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.16 2dhm h MET 66 CO -0.94 -0.21 -0.18 0.82 1.06 0.00 0.00 176.91 177.46 2dhm h ILE 67 N -0.33 0.53 -0.53 -1.22 1.08 -0.96 -2.14 117.51 113.94 2dhm h ILE 67 Ca 0.13 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.70 2dhm h ILE 67 Cb 0.58 0.53 -0.08 0.00 -3.07 0.00 0.00 36.82 34.78 2dhm h ILE 67 CO -0.58 0.00 0.06 1.88 -0.69 0.00 0.00 178.15 178.82 2dhm h TYR 68 N -0.19 0.08 -0.96 1.37 0.05 0.10 -0.68 116.97 116.73 2dhm h TYR 68 Ca 0.12 0.04 0.28 0.00 0.05 0.00 0.00 58.73 59.21 2dhm h TYR 68 Cb 0.37 0.05 -0.14 0.00 1.01 0.00 0.00 36.73 38.01 2dhm h TYR 68 CO -0.32 -0.07 0.48 1.03 -1.05 0.00 0.00 178.16 178.24 2dhm h SER 69 N 0.18 0.41 0.21 3.88 0.87 -0.19 1.75 113.55 120.66 2dhm h SER 69 Ca 0.27 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 61.00 2dhm h SER 69 Cb 0.40 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2dhm h SER 69 CO -0.39 -0.08 -0.10 0.74 -0.53 0.00 0.00 176.83 176.46 2dhm h THR 70 N 0.35 0.83 -0.83 2.23 2.02 -0.99 -3.11 112.91 113.41 2dhm h THR 70 Ca 0.66 -0.14 -0.55 0.00 0.77 0.00 0.00 66.41 67.14 2dhm h THR 70 Cb 1.40 0.91 -0.31 0.00 -1.74 0.00 0.00 68.15 68.42 2dhm h THR 70 CO -0.59 0.03 0.17 0.18 0.37 0.00 0.00 175.52 175.69 2dhm n LEU 71 N -5.18 6.22 -0.18 2.58 4.77 0.07 -4.80 117.00 120.48 2dhm n LEU 71 Ca -0.09 -4.31 -0.13 0.00 -0.03 0.00 0.00 56.01 51.44 2dhm n LEU 71 Cb 0.16 -0.71 -0.10 0.00 -2.33 0.00 0.00 43.42 40.44 2dhm n LEU 71 CO 0.34 1.62 0.49 0.00 -1.33 0.00 0.00 177.39 178.51 2dhm h ALA 72 N 1.83 -0.74 0.00 -1.18 0.00 0.26 -0.37 119.26 119.06 2dhm h ALA 72 Ca 0.48 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.25 2dhm h ALA 72 Cb 1.34 1.16 -0.02 0.00 0.00 0.00 0.00 17.79 20.27 2dhm h ALA 72 CO 1.11 -1.03 -0.85 0.93 0.00 0.00 0.00 179.25 179.41 2dhm h GLU 73 N -0.33 0.00 -0.93 0.00 3.07 -1.87 -3.23 114.58 111.29 2dhm h GLU 73 Ca 0.08 0.00 0.19 0.00 -0.50 0.00 0.00 59.36 59.13 2dhm h GLU 73 Cb 0.56 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.29 2dhm h GLU 73 CO -0.64 1.00 -0.24 0.39 -1.40 0.00 0.00 179.01 178.12 2dhm n GLU 74 N -4.49 -0.09 0.11 2.33 -0.58 -1.21 0.21 120.64 116.92 2dhm n GLU 74 Ca -0.25 1.45 -0.02 0.00 -0.42 0.00 0.00 57.16 57.92 2dhm n GLU 74 Cb 0.62 -2.17 0.20 0.00 -0.57 0.00 0.00 31.44 29.52 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 0.17 -1.11 -4.62 8.10 -1.23 -2.65 115.31 113.97 2dhm h LEU 75 Ca 0.44 -0.08 0.00 0.00 0.11 0.00 0.00 57.88 58.35 2dhm h LEU 75 Cb 0.68 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.85 2dhm h LEU 75 CO -0.96 0.65 0.00 -0.24 -4.11 0.00 0.00 178.44 173.78 2dhm n SER 76 N -3.95 1.38 -0.03 0.17 2.88 0.57 -3.15 113.62 111.48 2dhm n SER 76 Ca -0.02 -2.10 -0.01 0.00 -1.33 0.00 0.00 58.87 55.41 2dhm n SER 76 Cb 0.53 -0.42 -0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 0.55 0.00 0.00 2.46 2.02 -0.81 -3.47 112.91 113.67 2dhm h THR 77 Ca 0.00 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2dhm h THR 77 Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2dhm h THR 77 CO 0.05 0.00 -0.61 1.07 0.37 0.00 0.00 175.52 176.40 2dhm n THR 78 N -3.32 0.00 -2.56 3.16 5.66 -1.26 -5.01 114.28 110.96 2dhm n THR 78 Ca -0.02 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.55 2dhm n THR 78 Cb 0.09 -0.61 -0.02 0.00 -1.55 0.00 0.00 70.33 68.24 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 -1.61 4.19 -0.03 1.08 1.01 -1.19 -4.92 120.40 118.93 2dhm s VAL 79 Ca 0.00 1.25 -0.00 0.00 0.00 0.00 0.00 61.98 63.23 2dhm s VAL 79 Cb 0.00 -4.50 -0.00 0.00 0.00 0.00 0.00 36.38 31.88 2dhm s VAL 79 CO 0.00 -0.89 -0.00 -0.74 0.00 0.00 0.00 175.10 173.47 2dhm h HIS 80 N 9.31 0.00 -3.47 5.22 2.76 -1.77 -3.39 115.15 123.81 2dhm h HIS 80 Ca -0.23 0.00 -0.50 0.00 -2.20 0.00 0.00 60.37 57.44 2dhm h HIS 80 Cb 1.07 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.05 2dhm h HIS 80 CO 0.95 0.00 0.04 0.00 -1.30 0.00 0.00 177.93 177.63 2dhm s ALA 81 N -2.88 3.45 -0.29 5.26 0.00 -0.92 -5.01 121.76 121.37 2dhm s ALA 81 Ca -0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 51.96 51.35 2dhm s ALA 81 Cb 0.00 -2.53 0.13 0.00 0.00 0.00 0.00 23.12 20.72 2dhm s ALA 81 CO 0.00 -0.13 0.83 -1.17 0.00 0.00 0.00 175.76 175.29 2dhm s LEU 82 N -4.26 -0.79 -0.46 0.00 2.96 -1.26 -3.52 118.68 111.36 2dhm s LEU 82 Ca 0.47 1.17 -0.09 0.00 -0.22 0.00 0.00 54.13 55.46 2dhm s LEU 82 Cb -0.10 2.02 0.11 0.00 0.50 0.00 0.00 46.19 48.72 2dhm s LEU 82 CO 0.38 -0.17 0.33 0.00 -1.32 0.00 0.00 176.35 175.56 2dhm s ALA 83 N 2.03 3.37 -0.29 5.97 0.00 0.56 -4.99 121.76 128.42 2dhm s ALA 83 Ca -0.07 -2.47 -0.29 0.00 0.00 0.00 0.00 51.96 49.13 2dhm s ALA 83 Cb -0.06 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2dhm s ALA 83 CO -0.18 -1.86 1.25 -0.51 0.00 0.00 0.00 175.76 174.46 2dhm s LEU 84 N 1.37 3.92 -0.97 0.00 1.43 -1.26 -3.02 118.68 120.14 2dhm s LEU 84 Ca 0.05 1.22 -0.05 0.00 -1.03 0.00 0.00 54.13 54.33 2dhm s LEU 84 Cb -0.26 -3.54 0.24 0.00 0.03 0.00 0.00 46.19 42.67 2dhm s LEU 84 CO -0.00 -1.00 0.90 -1.00 0.23 0.00 0.00 176.35 175.48 2dhm s HIS 85 N 4.12 4.04 -0.41 0.29 3.76 -0.69 -5.01 115.29 121.39 2dhm s HIS 85 Ca 0.54 -2.89 -0.19 0.00 -0.15 0.00 0.00 55.06 52.36 2dhm s HIS 85 Cb -0.16 -3.47 0.01 0.00 1.11 0.00 0.00 32.58 30.07 2dhm s HIS 85 CO 0.20 -0.82 0.57 0.95 -0.85 0.00 0.00 174.74 174.79 2dhm s THR 86 N -1.30 4.93 -0.09 1.30 -4.23 -1.26 -3.03 115.64 111.96 2dhm s THR 86 Ca 0.29 0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.93 2dhm s THR 86 Cb -0.08 -4.10 -0.02 0.00 1.34 0.00 0.00 72.50 69.64 2dhm s THR 86 CO -0.11 -0.44 -0.16 -0.31 -0.54 0.00 0.00 174.62 173.06 2dhm s TYR 87 N 2.56 2.70 0.95 3.99 1.51 -1.21 -4.96 117.35 122.90 2dhm s TYR 87 Ca 0.20 -0.51 -0.12 0.00 -1.01 0.00 0.00 57.07 55.63 2dhm s TYR 87 Cb -0.15 -1.72 0.16 0.00 -0.11 0.00 0.00 41.96 40.14 2dhm s TYR 87 CO 0.16 -0.08 1.10 0.95 -1.11 0.00 0.00 175.55 176.57 2dhm s THR 88 N -0.12 2.20 0.21 -0.71 -4.23 -1.25 -2.42 115.64 109.32 2dhm s THR 88 Ca -0.02 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.44 2dhm s THR 88 Cb -0.14 -2.63 0.18 0.00 1.34 0.00 0.00 72.50 71.25 2dhm s THR 88 CO 0.04 -0.09 1.67 0.40 -0.54 0.00 0.00 174.62 176.10 2dhm h ILE 89 N -1.71 0.53 0.00 2.99 5.03 -1.94 -1.56 117.51 120.86 2dhm h ILE 89 Ca -0.52 -0.05 -0.00 0.00 -0.12 0.00 0.00 64.86 64.17 2dhm h ILE 89 Cb 1.32 0.38 0.00 0.00 -3.03 0.00 0.00 36.82 35.49 2dhm h ILE 89 CO 0.58 0.02 -0.00 0.50 -0.68 0.00 0.00 178.15 178.58 2dhm h LYS 90 N 0.13 -0.00 -1.30 2.37 1.63 -1.96 -2.59 116.57 114.85 2dhm h LYS 90 Ca 0.31 0.00 0.41 0.00 -0.85 0.00 0.00 60.65 60.52 2dhm h LYS 90 Cb 0.50 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.01 2dhm h LYS 90 CO -0.50 0.59 0.85 0.93 -3.45 0.00 0.00 179.45 177.87 2dhm h GLU 91 N -0.60 0.12 0.20 1.90 4.39 -1.78 0.47 114.58 119.28 2dhm h GLU 91 Ca -0.00 -0.01 -0.27 0.00 0.34 0.00 0.00 59.36 59.42 2dhm h GLU 91 Cb 0.60 -0.03 0.03 0.00 -0.10 0.00 0.00 28.75 29.25 2dhm h GLU 91 CO 0.00 0.08 -1.19 2.35 -1.16 0.00 0.00 179.01 179.09 2dhm h TRP 92 N 0.13 0.76 -1.12 4.33 -0.00 -1.28 -1.12 115.95 117.65 2dhm h TRP 92 Ca 0.78 -0.56 0.32 0.00 -0.00 0.00 0.00 58.89 59.44 2dhm h TRP 92 Cb 2.45 -0.03 -0.04 0.00 -0.00 0.00 0.00 29.16 31.53 2dhm h TRP 92 CO -0.00 1.46 1.09 0.93 -0.00 0.00 0.00 178.44 181.91 2dhm h GLU 93 N -0.11 0.00 0.00 2.65 5.08 0.36 -3.22 114.58 119.35 2dhm h GLU 93 Ca -0.21 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.02 2dhm h GLU 93 Cb 1.92 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 31.04 2dhm h GLU 93 CO 0.21 0.00 -0.15 0.41 -1.00 0.00 0.00 179.01 178.48 2dhm n GLY 94 N -1.72 -1.08 0.26 -3.84 0.00 -1.11 -4.99 105.19 92.71 2dhm n GLY 94 Ca 0.25 0.69 0.08 0.00 0.00 0.00 0.00 46.02 47.03 2dhm n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dhm n LEU 95 N 1.22 -0.18 -0.02 0.99 0.00 -0.42 0.06 117.00 118.65 2dhm n LEU 95 Ca 0.02 1.26 -0.12 0.00 0.00 0.00 0.00 56.01 57.17 2dhm n LEU 95 Cb 0.70 -0.42 -0.10 0.00 0.00 0.00 0.00 43.42 43.60 2dhm n LEU 95 CO -0.07 -1.24 0.44 1.56 0.00 0.00 0.00 177.39 178.08 2dhm h GLN 96 N 0.00 -0.06 -6.24 1.96 1.08 -1.93 -3.48 115.11 106.44 2dhm h GLN 96 Ca 0.40 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 57.14 2dhm h GLN 96 Cb 0.72 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 2dhm h GLN 96 CO -0.73 0.57 -0.78 -3.47 -0.95 0.00 0.00 178.83 173.47 2dhm n ASP 97 N -4.78 -3.65 -0.08 1.46 -0.08 0.11 -4.88 116.55 104.65 2dhm n ASP 97 Ca -0.08 -0.79 -0.10 0.00 -1.51 0.00 0.00 54.79 52.30 2dhm n ASP 97 Cb 0.32 -3.93 -0.03 0.00 2.34 0.00 0.00 41.12 39.83 2dhm n ASP 97 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2dhm h THR 98 N -2.03 1.16 -3.51 5.18 2.02 -1.92 -3.42 112.91 110.39 2dhm h THR 98 Ca -0.59 -0.46 -0.53 0.00 0.77 0.00 0.00 66.41 65.60 2dhm h THR 98 Cb 1.37 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 2dhm h THR 98 CO 0.64 0.16 0.17 0.54 0.37 0.00 0.00 175.52 177.40 2dhm s VAL 99 N -5.64 4.41 0.32 3.16 0.11 -1.26 -5.07 120.40 116.43 2dhm s VAL 99 Ca -0.13 1.69 0.08 0.00 -2.93 0.00 0.00 61.98 60.68 2dhm s VAL 99 Cb 0.08 -4.13 -0.03 0.00 -1.53 0.00 0.00 36.38 30.77 2dhm s VAL 99 CO 0.72 0.51 0.21 -0.36 -3.33 0.00 0.00 175.10 172.85 2dhm s PHE 100 N -1.04 2.84 -0.29 1.54 0.08 -1.26 -5.13 117.98 114.72 2dhm s PHE 100 Ca 0.36 -0.31 -0.22 0.00 0.12 0.00 0.00 56.93 56.89 2dhm s PHE 100 Cb -0.23 -1.66 0.15 0.00 -0.57 0.00 0.00 43.02 40.71 2dhm s PHE 100 CO 0.26 0.30 1.12 0.00 -0.10 0.00 0.00 175.22 176.80 2dhm s ALA 101 N -2.33 -2.18 -0.23 5.36 0.00 -1.26 -5.15 121.76 115.98 2dhm s ALA 101 Ca 0.38 1.94 -0.03 0.00 0.00 0.00 0.00 51.96 54.25 2dhm s ALA 101 Cb -0.05 -1.64 0.11 0.00 0.00 0.00 0.00 23.12 21.54 2dhm s ALA 101 CO 0.25 -0.25 0.28 -1.12 0.00 0.00 0.00 175.76 174.92 2dhm s SER 102 N 0.58 1.07 0.03 0.00 0.01 -1.26 -5.13 113.70 109.00 2dhm s SER 102 Ca -0.00 -0.16 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 2dhm s SER 102 Cb -0.04 0.62 -0.06 0.00 0.21 0.00 0.00 66.02 66.75 2dhm s SER 102 CO -0.11 -0.33 1.43 -2.16 0.41 0.00 0.00 173.24 172.48 2dhm s PRO 103 N 2.40 4.28 0.83 12.44 0.04 -1.26 -5.01 135.00 148.72 2dhm s PRO 103 Ca 0.09 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 2dhm s PRO 103 Cb -0.15 -3.51 0.09 0.00 0.04 0.00 0.00 34.50 30.97 2dhm s PRO 103 CO -0.16 -0.56 1.09 -1.25 0.04 0.00 0.00 177.00 176.16 2dhm s PRO 104 N 2.14 1.78 0.17 0.56 0.04 -1.26 -5.08 135.00 133.35 2dhm s PRO 104 Ca 0.65 1.00 0.04 0.00 0.04 0.00 0.00 61.00 62.74 2dhm s PRO 104 Cb -0.33 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 2dhm s PRO 104 CO 0.28 -1.93 -0.08 0.00 0.04 0.00 0.00 177.00 175.31 2dhm s ARG 106 N -3.77 1.69 0.00 0.00 0.52 -1.26 -5.35 118.95 110.77 2dhm s ARG 106 Ca 0.20 -1.86 0.00 0.00 -0.52 0.00 0.00 55.73 53.55 2dhm s ARG 106 Cb 0.03 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.85 2dhm s ARG 106 CO 0.03 -0.64 0.06 0.41 0.02 0.00 0.00 175.30 175.18