#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 2.51 0.00 1.61 1.04 -1.26 -5.01 113.70 112.59 2dhm s SER 2 Ca 0.00 1.41 0.00 0.00 0.48 0.00 0.00 55.95 57.84 2dhm s SER 2 Cb 0.00 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 64.02 2dhm s SER 2 CO 0.00 -3.23 0.00 -1.20 0.98 0.00 0.00 173.24 169.79 2dhm n SER 3 N -4.26 1.08 0.00 7.02 7.64 -1.26 -5.13 113.62 118.71 2dhm n SER 3 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2dhm n SER 3 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 2.77 -0.04 3.96 0.23 0.00 -1.26 -5.01 105.19 105.84 2dhm n GLY 4 Ca 0.00 0.51 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 2dhm n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dhm n SER 5 N 0.00 -0.57 -4.53 1.61 3.41 -1.26 -4.87 113.62 107.42 2dhm n SER 5 Ca 0.00 -1.02 -0.36 0.00 -0.26 0.00 0.00 58.87 57.23 2dhm n SER 5 Cb 0.00 -1.29 -0.11 0.00 -0.26 0.00 0.00 64.21 62.55 2dhm n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dhm s SER 6 N -3.34 5.38 0.11 4.04 0.01 -1.26 -5.07 113.70 113.56 2dhm s SER 6 Ca 0.40 -0.08 -0.25 0.00 1.31 0.00 0.00 55.95 57.33 2dhm s SER 6 Cb -0.24 -1.95 0.08 0.00 0.21 0.00 0.00 66.02 64.12 2dhm s SER 6 CO 0.82 0.05 0.79 -0.83 0.41 0.00 0.00 173.24 174.48 2dhm s GLY 7 N 1.11 -0.43 -0.96 3.44 0.00 -1.26 -5.10 107.32 104.13 2dhm s GLY 7 Ca 0.04 0.54 -0.05 0.00 0.00 0.00 0.00 44.72 45.25 2dhm s GLY 7 CO 0.03 0.17 0.88 1.06 0.00 0.00 0.00 173.10 175.25 2dhm s MET 8 N -3.44 3.58 0.57 2.90 1.00 -1.26 -5.05 119.30 117.60 2dhm s MET 8 Ca 0.06 -3.22 0.07 0.00 0.00 0.00 0.00 55.69 52.59 2dhm s MET 8 Cb -0.02 -4.16 0.08 0.00 0.00 0.00 0.00 34.83 30.73 2dhm s MET 8 CO -0.06 -1.25 0.79 -1.64 0.00 0.00 0.00 175.02 172.85 2dhm s MET 9 N -1.25 2.30 -0.22 2.03 1.00 -1.26 -5.06 119.30 116.84 2dhm s MET 9 Ca 0.28 -1.41 0.02 0.00 0.00 0.00 0.00 55.69 54.58 2dhm s MET 9 Cb -0.09 -2.60 -0.20 0.00 0.00 0.00 0.00 34.83 31.95 2dhm s MET 9 CO -0.11 -0.85 -0.06 -0.89 0.00 0.00 0.00 175.02 173.11 2dhm n ILE 10 N -2.29 1.54 -0.08 2.53 2.08 -1.26 -3.94 119.36 117.94 2dhm n ILE 10 Ca 0.14 -0.62 -0.10 0.00 0.56 0.00 0.00 62.75 62.73 2dhm n ILE 10 Cb 0.61 -1.37 -0.04 0.00 -0.75 0.00 0.00 39.64 38.09 2dhm n ILE 10 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2dhm h ARG 11 N 0.01 -0.34 -0.40 0.38 3.08 -2.00 0.22 114.38 115.34 2dhm h ARG 11 Ca -0.54 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.53 2dhm h ARG 11 Cb 1.96 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 32.07 2dhm h ARG 11 CO -0.04 -0.22 0.22 1.05 -1.07 0.00 0.00 179.97 179.91 2dhm h GLU 12 N -0.35 0.55 -0.59 0.04 4.11 -2.00 -1.97 114.58 114.37 2dhm h GLU 12 Ca 0.13 -0.06 0.17 0.00 0.07 0.00 0.00 59.36 59.66 2dhm h GLU 12 Cb 0.57 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2dhm h GLU 12 CO -0.49 0.44 0.42 0.00 0.07 0.00 0.00 179.01 179.45 2dhm h ARG 13 N 0.51 0.04 0.11 1.06 3.08 -1.44 0.32 114.38 118.05 2dhm h ARG 13 Ca 0.14 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2dhm h ARG 13 Cb 0.05 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2dhm h ARG 13 CO -0.02 0.02 -0.05 0.82 -1.07 0.00 0.00 179.97 179.67 2dhm h ILE 14 N 0.04 0.45 0.61 2.04 2.04 -0.28 -3.33 117.51 119.08 2dhm h ILE 14 Ca 0.28 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.95 2dhm h ILE 14 Cb 1.08 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2dhm h ILE 14 CO -0.01 0.14 -0.34 -0.33 0.00 0.00 0.00 178.15 177.61 2dhm h GLU 15 N -1.00 -0.85 -1.55 2.37 5.08 -0.96 -2.18 114.58 115.50 2dhm h GLU 15 Ca -0.01 0.06 0.46 0.00 -1.00 0.00 0.00 59.36 58.86 2dhm h GLU 15 Cb 0.34 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.72 2dhm h GLU 15 CO 0.02 -0.56 1.11 -0.85 -1.00 0.00 0.00 179.01 177.73 2dhm n GLU 16 N -5.48 -0.00 -0.08 2.33 0.28 0.11 0.94 120.64 118.74 2dhm n GLU 16 Ca -0.13 0.88 -0.12 0.00 -0.16 0.00 0.00 57.16 57.63 2dhm n GLU 16 Cb 0.37 -2.01 -0.09 0.00 1.43 0.00 0.00 31.44 31.14 2dhm n GLU 16 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2dhm h LYS 17 N 0.00 0.00 -0.39 3.44 1.79 -1.51 -3.37 116.57 116.52 2dhm h LYS 17 Ca 0.75 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 59.28 2dhm h LYS 17 Cb 2.98 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 33.58 2dhm h LYS 17 CO -0.04 0.70 0.08 -0.07 -1.08 0.00 0.00 179.45 179.04 2dhm h LEU 18 N -1.00 0.01 -0.89 2.94 3.38 1.00 0.67 115.31 121.42 2dhm h LEU 18 Ca -0.09 0.07 0.18 0.00 0.09 0.00 0.00 57.88 58.12 2dhm h LEU 18 Cb 0.83 0.09 -0.17 0.00 0.09 0.00 0.00 40.66 41.50 2dhm h LEU 18 CO -0.05 0.04 -0.23 0.54 0.09 0.00 0.00 178.44 178.83 2dhm n ARG 19 N -5.09 -0.08 0.04 1.13 5.12 0.54 0.42 116.66 118.74 2dhm n ARG 19 Ca 0.02 1.39 0.03 0.00 -1.93 0.00 0.00 57.85 57.36 2dhm n ARG 19 Cb 0.18 -2.07 -0.08 0.00 -1.16 0.00 0.00 32.46 29.33 2dhm n ARG 19 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dhm n ALA 20 N -3.67 2.13 0.16 7.54 0.00 -0.91 -2.17 120.51 123.59 2dhm n ALA 20 Ca 0.14 -0.52 -0.16 0.00 0.00 0.00 0.00 53.44 52.90 2dhm n ALA 20 Cb 0.44 -0.92 -0.09 0.00 0.00 0.00 0.00 19.45 18.89 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 1.59 -0.89 0.00 0.00 0.00 0.54 -3.39 119.26 117.11 2dhm h ALA 21 Ca -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2dhm h ALA 21 Cb 1.43 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.97 2dhm h ALA 21 CO 0.03 -1.06 -0.91 1.19 0.00 0.00 0.00 179.25 178.49 2dhm n PHE 22 N -5.49 0.00 -2.42 0.00 3.72 -0.56 -5.05 117.46 107.66 2dhm n PHE 22 Ca -0.09 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.25 2dhm n PHE 22 Cb 0.41 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.98 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 -2.05 -2.00 -0.31 -1.08 6.02 -0.92 -5.05 117.38 111.99 2dhm n GLN 23 Ca 0.00 0.32 -0.09 0.00 -0.01 0.00 0.00 57.00 57.22 2dhm n GLN 23 Cb 0.46 -3.57 0.07 0.00 1.02 0.00 0.00 30.24 28.22 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 -2.15 -1.66 -0.06 -1.09 -0.04 -1.26 -5.01 135.00 123.72 2dhm n PRO 24 Ca -0.08 -0.52 -0.02 0.00 -0.04 0.00 0.00 63.50 62.83 2dhm n PRO 24 Cb 0.56 -0.49 -0.16 0.00 -0.04 0.00 0.00 33.50 33.37 2dhm n PRO 24 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2dhm n VAL 25 N -3.21 0.91 -4.51 0.52 3.14 -1.24 -4.96 118.33 108.97 2dhm n VAL 25 Ca 0.04 -0.73 -0.26 0.00 -2.96 0.00 0.00 64.34 60.43 2dhm n VAL 25 Cb 0.17 -0.32 -0.13 0.00 -1.06 0.00 0.00 33.84 32.50 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 -2.86 1.94 -0.30 1.45 5.36 -1.26 -5.01 117.98 117.30 2dhm s PHE 26 Ca -0.09 -0.39 -0.07 0.00 -0.96 0.00 0.00 56.93 55.42 2dhm s PHE 26 Cb 0.09 -1.11 0.16 0.00 -0.34 0.00 0.00 43.02 41.82 2dhm s PHE 26 CO 0.86 0.17 0.66 -1.17 -1.46 0.00 0.00 175.22 174.28 2dhm s LEU 27 N -1.57 -1.19 -0.08 6.12 2.96 -1.25 -2.98 118.68 120.69 2dhm s LEU 27 Ca 0.09 1.23 -0.05 0.00 -0.22 0.00 0.00 54.13 55.18 2dhm s LEU 27 Cb -0.10 2.19 0.03 0.00 0.50 0.00 0.00 46.19 48.82 2dhm s LEU 27 CO 0.03 -0.23 0.18 -0.70 -1.32 0.00 0.00 176.35 174.32 2dhm s GLU 28 N 2.86 0.16 0.05 1.98 2.56 -0.26 -5.03 118.70 121.03 2dhm s GLU 28 Ca 0.05 0.37 0.08 0.00 0.00 0.00 0.00 54.97 55.47 2dhm s GLU 28 Cb -0.13 -0.07 -0.03 0.00 2.00 0.00 0.00 34.13 35.90 2dhm s GLU 28 CO -0.19 -0.12 -0.20 0.08 -0.56 0.00 0.00 175.26 174.27 2dhm s VAL 29 N 0.83 2.66 -0.35 3.70 1.01 -1.26 -0.77 120.40 126.21 2dhm s VAL 29 Ca -0.06 -1.27 -0.00 0.00 0.00 0.00 0.00 61.98 60.65 2dhm s VAL 29 Cb -0.08 -2.11 0.12 0.00 0.00 0.00 0.00 36.38 34.31 2dhm s VAL 29 CO -0.05 0.31 0.16 -0.69 0.00 0.00 0.00 175.10 174.84 2dhm s VAL 30 N -0.93 0.83 -0.01 2.92 1.01 -1.05 -5.03 120.40 118.14 2dhm s VAL 30 Ca 0.14 -1.75 0.02 0.00 0.00 0.00 0.00 61.98 60.40 2dhm s VAL 30 Cb -0.10 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 2dhm s VAL 30 CO 0.05 -0.80 -0.05 -0.62 0.00 0.00 0.00 175.10 173.68 2dhm s ASP 31 N 1.18 4.76 -0.97 3.32 2.15 -1.26 -3.05 116.67 122.80 2dhm s ASP 31 Ca 0.14 -0.10 -0.03 0.00 0.43 0.00 0.00 52.55 52.99 2dhm s ASP 31 Cb -0.20 -1.16 0.25 0.00 -0.30 0.00 0.00 42.92 41.51 2dhm s ASP 31 CO -0.14 0.29 0.97 -0.62 -0.17 0.00 0.00 175.17 175.50 2dhm n GLU 32 N 1.58 3.12 -1.50 4.34 1.02 -1.26 -4.81 120.64 123.13 2dhm n GLU 32 Ca -0.15 -4.50 -0.14 0.00 -0.02 0.00 0.00 57.16 52.34 2dhm n GLU 32 Cb 0.53 -2.45 0.09 0.00 -0.02 0.00 0.00 31.44 29.58 2dhm n GLU 32 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2dhm n SER 33 N 2.16 3.90 -4.94 1.62 7.64 -1.26 -4.84 113.62 117.90 2dhm n SER 33 Ca 0.24 -3.80 -0.24 0.00 1.01 0.00 0.00 58.87 56.07 2dhm n SER 33 Cb 0.37 -0.44 0.01 0.00 -1.01 0.00 0.00 64.21 63.15 2dhm n SER 33 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2dhm s TYR 34 N -3.48 3.28 -0.00 1.43 1.51 -1.26 -5.02 117.35 113.80 2dhm s TYR 34 Ca 0.47 0.37 0.01 0.00 -1.01 0.00 0.00 57.07 56.91 2dhm s TYR 34 Cb 0.40 -2.36 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 2dhm s TYR 34 CO 0.00 -0.40 0.01 2.89 -1.11 0.00 0.00 175.55 176.94 2dhm n ARG 35 N -2.17 0.77 -0.09 -0.62 -4.01 -1.23 -4.31 116.66 105.00 2dhm n ARG 35 Ca 0.01 -0.01 -0.22 0.00 -1.04 0.00 0.00 57.85 56.60 2dhm n ARG 35 Cb 0.57 -1.02 -0.12 0.00 -3.04 0.00 0.00 32.46 28.85 2dhm n ARG 35 CO 0.00 0.00 0.00 -2.39 -3.04 0.00 0.00 177.63 172.20 2dhm n HIS 36 N -1.62 0.53 -0.04 2.89 1.44 -1.26 -4.57 115.22 112.59 2dhm n HIS 36 Ca -0.00 0.14 -0.14 0.00 -2.01 0.00 0.00 57.72 55.71 2dhm n HIS 36 Cb 0.12 -1.06 -0.12 0.00 0.12 0.00 0.00 29.99 29.04 2dhm n HIS 36 CO 0.00 0.00 0.00 -0.97 -2.81 0.00 0.00 176.34 172.56 2dhm h ASN 37 N -0.31 0.09 -4.11 4.39 -1.24 -2.01 -3.46 115.58 108.94 2dhm h ASN 37 Ca -0.52 -0.82 -0.61 0.00 0.71 0.00 0.00 56.30 55.06 2dhm h ASN 37 Cb 1.80 -0.03 -0.22 0.00 0.73 0.00 0.00 38.32 40.60 2dhm h ASN 37 CO -0.12 0.90 -0.84 0.68 -1.29 0.00 0.00 177.43 176.76 2dhm s VAL 38 N -2.95 1.89 0.00 2.57 -7.23 -1.26 -5.11 120.40 108.32 2dhm s VAL 38 Ca -0.17 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 2dhm s VAL 38 Cb -0.01 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.24 2dhm s VAL 38 CO 0.71 0.02 0.00 -0.81 -0.31 0.00 0.00 175.10 174.71 2dhm n PRO 39 N 1.12 0.23 -0.89 4.82 -0.04 -1.26 -3.52 135.00 135.45 2dhm n PRO 39 Ca -0.19 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.91 2dhm n PRO 39 Cb 0.53 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.07 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 -5.23 -1.06 0.55 0.00 -1.26 -4.63 120.51 105.88 2dhm n ALA 40 Ca 0.00 -1.32 -0.35 0.00 0.00 0.00 0.00 53.44 51.76 2dhm n ALA 40 Cb 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 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 2.99 3.01 3.53 0.00 0.00 -1.26 -4.86 105.19 108.60 2dhm n GLY 41 Ca -0.01 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 4.15 6.31 -1.59 1.61 0.15 -1.26 -4.18 113.70 118.89 2dhm s SER 42 Ca 0.50 -0.99 -0.17 0.00 0.70 0.00 0.00 55.95 55.99 2dhm s SER 42 Cb 0.13 -2.53 0.15 0.00 -1.71 0.00 0.00 66.02 62.07 2dhm s SER 42 CO 0.04 -1.60 0.68 -1.84 1.20 0.00 0.00 173.24 171.71 2dhm n GLU 43 N 8.71 -2.79 -1.47 5.44 0.28 -1.26 -4.68 120.64 124.86 2dhm n GLU 43 Ca 0.13 0.33 -0.12 0.00 -0.16 0.00 0.00 57.16 57.35 2dhm n GLU 43 Cb 0.49 -5.03 -0.10 0.00 1.43 0.00 0.00 31.44 28.23 2dhm n GLU 43 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2dhm n SER 44 N -2.50 0.71 -4.28 -1.84 7.64 -1.26 -4.86 113.62 107.24 2dhm n SER 44 Ca 0.07 -2.07 -0.38 0.00 1.01 0.00 0.00 58.87 57.49 2dhm n SER 44 Cb 0.49 -1.48 0.02 0.00 -1.01 0.00 0.00 64.21 62.23 2dhm n SER 44 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2dhm n HIS 45 N 16.64 -2.62 -4.39 1.43 8.25 -1.26 -4.68 115.22 128.59 2dhm n HIS 45 Ca 0.36 0.41 -0.29 0.00 -0.26 0.00 0.00 57.72 57.94 2dhm n HIS 45 Cb 0.46 -1.72 -0.12 0.00 1.12 0.00 0.00 29.99 29.72 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 -1.95 2.40 0.02 4.41 2.19 -1.21 -4.42 117.98 119.42 2dhm s PHE 46 Ca 0.58 -0.33 0.01 0.00 0.33 0.00 0.00 56.93 57.52 2dhm s PHE 46 Cb -0.46 -1.30 -0.01 0.00 -1.31 0.00 0.00 43.02 39.94 2dhm s PHE 46 CO 0.65 0.35 -0.05 0.21 1.83 0.00 0.00 175.22 178.20 2dhm s LYS 47 N -2.04 0.40 -0.22 10.12 2.20 -1.17 -0.71 119.74 128.31 2dhm s LYS 47 Ca 0.15 -0.43 -0.04 0.00 -0.36 0.00 0.00 55.97 55.29 2dhm s LYS 47 Cb -0.10 -0.25 0.09 0.00 -1.51 0.00 0.00 37.83 36.05 2dhm s LYS 47 CO 0.07 0.06 0.15 0.08 -0.36 0.00 0.00 175.35 175.35 2dhm s VAL 48 N -0.75 -0.18 -0.36 4.02 1.01 -1.16 -2.53 120.40 120.45 2dhm s VAL 48 Ca -0.05 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 2dhm s VAL 48 Cb -0.06 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.57 2dhm s VAL 48 CO -0.00 -0.40 0.45 -0.69 0.00 0.00 0.00 175.10 174.46 2dhm s VAL 49 N 2.20 5.08 -0.16 2.92 1.01 0.05 -2.67 120.40 128.82 2dhm s VAL 49 Ca 0.06 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 2dhm s VAL 49 Cb -0.16 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.35 2dhm s VAL 49 CO -0.19 -0.22 0.04 -0.22 0.00 0.00 0.00 175.10 174.51 2dhm s LEU 50 N 2.23 0.91 0.19 3.92 0.20 -1.23 -1.10 118.68 123.80 2dhm s LEU 50 Ca 0.15 -0.63 -0.27 0.00 0.69 0.00 0.00 54.13 54.07 2dhm s LEU 50 Cb -0.16 -0.50 -0.08 0.00 -0.43 0.00 0.00 46.19 45.02 2dhm s LEU 50 CO 0.13 -0.29 0.85 -0.69 -0.29 0.00 0.00 176.35 176.06 2dhm s VAL 51 N 1.93 4.27 -0.00 1.68 1.01 -1.16 -3.42 120.40 124.71 2dhm s VAL 51 Ca 0.01 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.56 2dhm s VAL 51 Cb -0.16 -4.22 0.10 0.00 0.00 0.00 0.00 36.38 32.10 2dhm s VAL 51 CO -0.07 0.50 0.99 -0.44 0.00 0.00 0.00 175.10 176.08 2dhm s SER 52 N -1.09 -0.26 -0.15 3.32 0.01 -0.12 -3.67 113.70 111.74 2dhm s SER 52 Ca 0.38 -0.09 0.16 0.00 1.31 0.00 0.00 55.95 57.71 2dhm s SER 52 Cb -0.24 0.35 -0.24 0.00 0.21 0.00 0.00 66.02 66.09 2dhm s SER 52 CO 0.29 -0.59 0.24 -0.90 0.41 0.00 0.00 173.24 172.69 2dhm n ASP 53 N -0.28 0.28 -0.18 2.44 5.68 -1.26 -3.87 116.55 119.35 2dhm n ASP 53 Ca -0.07 0.12 0.29 0.00 -0.50 0.00 0.00 54.79 54.64 2dhm n ASP 53 Cb 0.61 0.67 0.66 0.00 -1.14 0.00 0.00 41.12 41.92 2dhm n ASP 53 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2dhm h ARG 54 N 0.00 0.00 -1.47 0.11 2.47 -1.97 0.29 114.38 113.82 2dhm h ARG 54 Ca -0.47 0.00 -0.41 0.00 -1.26 0.00 0.00 59.98 57.84 2dhm h ARG 54 Cb 2.18 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 30.33 2dhm h ARG 54 CO 0.04 0.00 0.51 1.19 0.56 0.00 0.00 179.97 182.27 2dhm n PHE 55 N -3.69 1.87 -0.82 3.04 3.01 -1.26 -4.62 117.46 114.99 2dhm n PHE 55 Ca 0.20 -2.16 -0.10 0.00 1.01 0.00 0.00 57.45 56.40 2dhm n PHE 55 Cb 1.19 -1.08 -0.14 0.00 -0.01 0.00 0.00 39.48 39.43 2dhm n PHE 55 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 2dhm n THR 56 N 0.15 2.46 -2.46 4.37 5.66 0.10 -4.41 114.28 120.16 2dhm n THR 56 Ca 0.38 -1.23 -0.04 0.00 -3.05 0.00 0.00 64.05 60.11 2dhm n THR 56 Cb 0.59 -1.91 0.01 0.00 -1.55 0.00 0.00 70.33 67.46 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 2.60 0.54 1.87 1.09 0.00 -1.26 -5.05 105.19 104.97 2dhm n GLY 57 Ca 0.35 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.27 -1.24 -1.23 1.61 1.02 -1.26 -4.86 120.64 113.41 2dhm n GLU 58 Ca -0.01 -0.97 -0.48 0.00 -0.02 0.00 0.00 57.16 55.68 2dhm n GLU 58 Cb 0.52 -0.74 -0.07 0.00 -0.02 0.00 0.00 31.44 31.13 2dhm n GLU 58 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dhm n ARG 59 N -2.73 0.00 -0.43 3.49 3.00 -1.26 -4.70 116.66 114.03 2dhm n ARG 59 Ca 0.08 0.00 0.35 0.00 -0.01 0.00 0.00 57.85 58.28 2dhm n ARG 59 Cb 0.29 -1.13 0.65 0.00 0.00 0.00 0.00 32.46 32.27 2dhm n ARG 59 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 2dhm h PHE 60 N 3.02 0.45 0.00 -1.55 -1.00 -2.03 0.19 116.94 116.02 2dhm h PHE 60 Ca -0.36 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.43 2dhm h PHE 60 Cb 1.06 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.50 2dhm h PHE 60 CO 0.46 -0.12 -0.04 -0.07 -1.61 0.00 0.00 178.31 176.94 2dhm h LEU 61 N 0.13 0.03 -1.56 1.54 3.38 -2.02 -3.25 115.31 113.55 2dhm h LEU 61 Ca 0.76 -0.85 0.45 0.00 0.09 0.00 0.00 57.88 58.34 2dhm h LEU 61 Cb 2.45 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 43.13 2dhm h LEU 61 CO -0.32 0.87 1.31 0.59 0.09 0.00 0.00 178.44 180.99 2dhm n ASN 62 N -4.66 0.00 -0.13 -0.43 4.13 0.64 -0.32 115.26 114.50 2dhm n ASN 62 Ca -0.10 0.88 -0.08 0.00 1.68 0.00 0.00 54.58 56.96 2dhm n ASN 62 Cb 0.43 -0.39 -0.02 0.00 -1.54 0.00 0.00 39.78 38.26 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 -0.25 0.00 3.52 9.65 -1.55 -2.66 114.38 123.09 2dhm h ARG 63 Ca 0.74 0.02 -0.31 0.00 -1.10 0.00 0.00 59.98 59.33 2dhm h ARG 63 Cb 3.36 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 31.95 2dhm h ARG 63 CO -0.01 -0.17 -1.69 0.72 2.80 0.00 0.00 179.97 181.62 2dhm n HIS 64 N -5.42 0.70 0.00 2.20 -0.00 0.56 -4.35 115.22 108.92 2dhm n HIS 64 Ca 0.01 0.30 0.00 0.00 -0.00 0.00 0.00 57.72 58.03 2dhm n HIS 64 Cb 0.34 -1.07 0.00 0.00 -0.00 0.00 0.00 29.99 29.26 2dhm n HIS 64 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2dhm n ARG 65 N -4.34 0.00 -0.34 -0.41 1.74 -0.73 0.57 116.66 113.15 2dhm n ARG 65 Ca -0.39 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 2dhm n ARG 65 Cb 0.76 -1.06 0.05 0.00 -1.02 0.00 0.00 32.46 31.19 2dhm n ARG 65 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2dhm n MET 66 N -2.62 -0.18 0.00 5.56 2.81 -1.00 0.30 117.12 121.98 2dhm n MET 66 Ca 0.00 1.37 0.00 0.00 -1.81 0.00 0.00 57.70 57.26 2dhm n MET 66 Cb 0.00 -2.03 0.00 0.00 -0.71 0.00 0.00 33.22 30.48 2dhm n MET 66 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 2dhm n ILE 67 N -5.33 0.00 -0.36 2.02 2.08 0.12 -3.40 119.36 114.48 2dhm n ILE 67 Ca 0.10 1.18 -0.09 0.00 0.56 0.00 0.00 62.75 64.50 2dhm n ILE 67 Cb 0.37 -2.16 -0.09 0.00 -0.75 0.00 0.00 39.64 37.02 2dhm n ILE 67 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 2dhm n TYR 68 N -1.85 -0.38 -0.25 1.39 4.01 0.19 0.76 117.16 121.04 2dhm n TYR 68 Ca 0.00 1.08 0.20 0.00 -0.16 0.00 0.00 57.90 59.02 2dhm n TYR 68 Cb 0.00 -0.57 0.37 0.00 -0.31 0.00 0.00 39.34 38.84 2dhm n TYR 68 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2dhm n SER 69 N -5.02 0.15 -0.12 7.72 2.88 0.15 0.24 113.62 119.62 2dhm n SER 69 Ca 0.02 1.25 -0.10 0.00 -1.33 0.00 0.00 58.87 58.71 2dhm n SER 69 Cb 0.22 -0.56 -0.02 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 1.22 -0.64 2.46 2.02 0.33 -3.21 112.91 115.09 2dhm h THR 70 Ca 0.58 -0.76 -0.46 0.00 0.77 0.00 0.00 66.41 66.54 2dhm h THR 70 Cb 1.45 1.04 -0.33 0.00 -1.74 0.00 0.00 68.15 68.57 2dhm h THR 70 CO -0.62 0.26 -0.55 0.18 0.37 0.00 0.00 175.52 175.16 2dhm n LEU 71 N -4.61 4.85 -0.08 2.58 4.77 0.65 -4.87 117.00 120.29 2dhm n LEU 71 Ca -0.01 -4.52 -0.04 0.00 -0.03 0.00 0.00 56.01 51.42 2dhm n LEU 71 Cb 0.20 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 2dhm n LEU 71 CO 0.38 1.89 0.50 0.00 -1.33 0.00 0.00 177.39 178.82 2dhm h ALA 72 N 1.91 -0.32 0.08 -1.18 0.00 0.31 -2.20 119.26 117.86 2dhm h ALA 72 Ca 0.33 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.09 2dhm h ALA 72 Cb 1.40 0.95 0.00 0.00 0.00 0.00 0.00 17.79 20.15 2dhm h ALA 72 CO 0.71 -0.41 -0.85 0.93 0.00 0.00 0.00 179.25 179.63 2dhm h GLU 73 N -0.07 0.17 -1.09 0.00 5.08 -1.89 -3.27 114.58 113.50 2dhm h GLU 73 Ca 0.03 -0.28 0.36 0.00 -1.00 0.00 0.00 59.36 58.47 2dhm h GLU 73 Cb 0.15 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.41 2dhm h GLU 73 CO -0.22 1.14 0.72 0.39 -1.00 0.00 0.00 179.01 180.04 2dhm n GLU 74 N -4.23 -0.02 -0.05 2.33 -0.58 -1.21 -0.32 120.64 116.57 2dhm n GLU 74 Ca -0.19 0.87 -0.01 0.00 -0.42 0.00 0.00 57.16 57.41 2dhm n GLU 74 Cb 0.74 -1.78 -0.00 0.00 -0.57 0.00 0.00 31.44 29.82 2dhm n GLU 74 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2dhm h LEU 75 N 0.00 0.00 -1.19 -4.62 3.38 -1.51 -3.34 115.31 108.03 2dhm h LEU 75 Ca 0.64 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.83 2dhm h LEU 75 Cb 2.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.92 2dhm h LEU 75 CO -0.26 0.47 0.99 0.28 0.09 0.00 0.00 178.44 180.01 2dhm h SER 76 N -0.79 0.00 -0.10 -0.43 0.02 -0.60 0.14 113.55 111.78 2dhm h SER 76 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2dhm h SER 76 Cb 0.14 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 2dhm h SER 76 CO 0.00 0.00 -0.23 0.74 -1.14 0.00 0.00 176.83 176.20 2dhm h THR 77 N 0.00 0.00 0.00 -2.27 2.02 -1.01 -3.40 112.91 108.25 2dhm h THR 77 Ca 0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.54 2dhm h THR 77 Cb 2.34 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 2dhm h THR 77 CO -0.00 0.00 -0.94 1.07 0.37 0.00 0.00 175.52 176.02 2dhm n THR 78 N -3.78 0.00 -2.87 3.16 5.66 -0.66 -5.01 114.28 110.79 2dhm n THR 78 Ca -0.02 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.56 2dhm n THR 78 Cb 0.15 -0.69 -0.04 0.00 -1.55 0.00 0.00 70.33 68.20 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 -1.94 4.84 -0.13 1.08 1.01 0.41 -4.95 120.40 120.71 2dhm s VAL 79 Ca 0.00 1.63 -0.09 0.00 0.00 0.00 0.00 61.98 63.52 2dhm s VAL 79 Cb 0.00 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2dhm s VAL 79 CO 0.00 -0.04 -0.18 1.57 0.00 0.00 0.00 175.10 176.45 2dhm n HIS 80 N 5.71 0.82 -3.75 5.22 -0.00 -1.26 -3.09 115.22 118.87 2dhm n HIS 80 Ca 0.06 0.36 -0.30 0.00 -0.00 0.00 0.00 57.72 57.84 2dhm n HIS 80 Cb 0.48 -0.72 -0.04 0.00 -0.00 0.00 0.00 29.99 29.71 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 -2.76 3.87 -0.27 1.57 0.00 -1.26 -4.91 121.76 117.99 2dhm s ALA 81 Ca -0.15 -0.75 -0.23 0.00 0.00 0.00 0.00 51.96 50.83 2dhm s ALA 81 Cb 0.02 -1.99 0.08 0.00 0.00 0.00 0.00 23.12 21.23 2dhm s ALA 81 CO 0.22 0.61 0.77 -1.17 0.00 0.00 0.00 175.76 176.19 2dhm s LEU 82 N -2.91 -0.73 -0.40 0.00 2.96 -1.26 -3.36 118.68 112.98 2dhm s LEU 82 Ca 0.38 1.35 -0.07 0.00 -0.22 0.00 0.00 54.13 55.58 2dhm s LEU 82 Cb -0.12 2.34 0.08 0.00 0.50 0.00 0.00 46.19 48.99 2dhm s LEU 82 CO 0.27 -0.23 0.21 0.00 -1.32 0.00 0.00 176.35 175.28 2dhm s ALA 83 N 0.61 3.19 -0.56 5.97 0.00 0.11 -4.96 121.76 126.13 2dhm s ALA 83 Ca -0.02 -2.17 -0.28 0.00 0.00 0.00 0.00 51.96 49.49 2dhm s ALA 83 Cb -0.05 -2.50 0.02 0.00 0.00 0.00 0.00 23.12 20.59 2dhm s ALA 83 CO -0.04 -1.62 1.28 -0.51 0.00 0.00 0.00 175.76 174.86 2dhm s LEU 84 N 1.34 3.45 -1.00 0.00 1.43 -1.26 -3.01 118.68 119.63 2dhm s LEU 84 Ca 0.03 0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 53.32 2dhm s LEU 84 Cb -0.22 -3.18 0.25 0.00 0.03 0.00 0.00 46.19 43.07 2dhm s LEU 84 CO 0.00 -1.54 0.97 1.41 0.23 0.00 0.00 176.35 177.42 2dhm n HIS 85 N 8.81 4.59 -3.15 0.29 8.25 -1.09 -5.02 115.22 127.90 2dhm n HIS 85 Ca 0.11 -3.96 -0.40 0.00 -0.26 0.00 0.00 57.72 53.21 2dhm n HIS 85 Cb 0.49 -1.38 -0.06 0.00 1.12 0.00 0.00 29.99 30.16 2dhm n HIS 85 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2dhm s THR 86 N -1.45 5.05 0.20 1.59 -4.23 -1.26 -3.53 115.64 112.01 2dhm s THR 86 Ca 0.30 1.16 0.10 0.00 -1.18 0.00 0.00 61.69 62.07 2dhm s THR 86 Cb -0.07 -3.93 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 2dhm s THR 86 CO -0.09 0.16 -0.21 -0.31 -0.54 0.00 0.00 174.62 173.63 2dhm s TYR 87 N 1.63 2.10 0.51 3.99 1.51 -1.22 -5.01 117.35 120.87 2dhm s TYR 87 Ca 0.29 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.96 2dhm s TYR 87 Cb -0.16 -1.01 0.02 0.00 -0.11 0.00 0.00 41.96 40.71 2dhm s TYR 87 CO 0.11 0.48 0.73 0.95 -1.11 0.00 0.00 175.55 176.71 2dhm s THR 88 N -2.08 3.00 0.25 -0.71 -4.23 -1.25 -0.94 115.64 109.68 2dhm s THR 88 Ca 0.21 -0.67 -0.05 0.00 -1.18 0.00 0.00 61.69 60.01 2dhm s THR 88 Cb -0.06 -3.11 0.25 0.00 1.34 0.00 0.00 72.50 70.92 2dhm s THR 88 CO 0.10 -0.07 1.90 0.40 -0.54 0.00 0.00 174.62 176.40 2dhm h ILE 89 N 0.21 1.16 0.21 2.99 5.03 -1.96 -1.59 117.51 123.56 2dhm h ILE 89 Ca -0.43 -0.42 -0.01 0.00 -0.12 0.00 0.00 64.86 63.89 2dhm h ILE 89 Cb 1.29 -0.16 0.00 0.00 -3.03 0.00 0.00 36.82 34.92 2dhm h ILE 89 CO 0.53 0.22 -0.10 0.50 -0.68 0.00 0.00 178.15 178.61 2dhm h LYS 90 N 1.21 -0.28 -0.90 2.37 1.63 -1.95 -1.04 116.57 117.61 2dhm h LYS 90 Ca 0.39 0.02 0.20 0.00 -0.85 0.00 0.00 60.65 60.41 2dhm h LYS 90 Cb 0.02 0.06 -0.17 0.00 -0.60 0.00 0.00 32.23 31.54 2dhm h LYS 90 CO -0.13 -0.08 -0.13 0.93 -3.45 0.00 0.00 179.45 176.59 2dhm h GLU 91 N -1.04 0.02 -0.12 1.90 5.08 -1.91 0.11 114.58 118.61 2dhm h GLU 91 Ca -0.03 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 2dhm h GLU 91 Cb 0.33 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2dhm h GLU 91 CO 0.05 0.01 -0.26 2.35 -1.00 0.00 0.00 179.01 180.16 2dhm h TRP 92 N 0.02 0.50 -0.98 4.33 -0.00 -1.39 0.19 115.95 118.61 2dhm h TRP 92 Ca 0.47 -0.18 0.41 0.00 -0.00 0.00 0.00 58.89 59.58 2dhm h TRP 92 Cb 0.81 -0.09 -0.18 0.00 -0.00 0.00 0.00 29.16 29.70 2dhm h TRP 92 CO -0.61 0.88 0.51 0.39 -0.00 0.00 0.00 178.44 179.61 2dhm n GLU 93 N -4.45 -0.06 -2.86 2.65 -0.58 0.35 -3.00 120.64 112.69 2dhm n GLU 93 Ca -0.07 1.36 -0.12 0.00 -0.42 0.00 0.00 57.16 57.91 2dhm n GLU 93 Cb 0.45 -2.43 0.06 0.00 -0.57 0.00 0.00 31.44 28.95 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 -1.26 1.48 0.09 0.62 0.00 -0.92 -4.94 105.19 100.25 2dhm n GLY 94 Ca 0.37 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 2.99 -0.10 0.07 0.99 7.12 -0.52 -3.34 115.31 122.52 2dhm h LEU 95 Ca -0.05 -0.10 -0.37 0.00 0.13 0.00 0.00 57.88 57.49 2dhm h LEU 95 Cb 1.07 0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 41.18 2dhm h LEU 95 CO 0.23 0.04 -2.20 0.00 -0.13 0.00 0.00 178.44 176.39 2dhm n GLN 96 N -5.08 0.71 -3.14 1.25 6.02 -1.26 -4.96 117.38 110.91 2dhm n GLN 96 Ca -0.08 0.21 -0.25 0.00 -0.01 0.00 0.00 57.00 56.87 2dhm n GLN 96 Cb 0.12 -1.63 -0.01 0.00 1.02 0.00 0.00 30.24 29.74 2dhm n GLN 96 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2dhm s ASP 97 N -6.77 6.30 -0.23 1.08 2.15 -1.25 -5.10 116.67 112.84 2dhm s ASP 97 Ca -0.27 0.62 -0.03 0.00 0.43 0.00 0.00 52.55 53.30 2dhm s ASP 97 Cb 0.08 -2.11 0.12 0.00 -0.30 0.00 0.00 42.92 40.70 2dhm s ASP 97 CO 0.70 -0.38 0.30 0.42 -0.17 0.00 0.00 175.17 176.05 2dhm s THR 98 N -2.43 -0.46 0.06 1.71 -4.23 -1.26 -4.45 115.64 104.57 2dhm s THR 98 Ca 0.43 -0.13 0.09 0.00 -1.18 0.00 0.00 61.69 60.89 2dhm s THR 98 Cb -0.10 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 72.94 2dhm s THR 98 CO 0.38 -0.19 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.35 2dhm s VAL 99 N 2.43 2.43 0.08 2.29 1.01 -1.26 -5.14 120.40 122.24 2dhm s VAL 99 Ca 0.10 -1.39 0.02 0.00 0.00 0.00 0.00 61.98 60.70 2dhm s VAL 99 Cb -0.15 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2dhm s VAL 99 CO -0.16 0.29 -0.07 0.12 0.00 0.00 0.00 175.10 175.28 2dhm s PHE 100 N -0.91 0.80 0.02 5.22 5.36 -1.26 -5.15 117.98 122.05 2dhm s PHE 100 Ca 0.14 -0.77 -0.03 0.00 -0.96 0.00 0.00 56.93 55.30 2dhm s PHE 100 Cb -0.10 -0.47 -0.01 0.00 -0.34 0.00 0.00 43.02 42.09 2dhm s PHE 100 CO 0.04 -0.13 0.05 0.00 -1.46 0.00 0.00 175.22 173.72 2dhm s ALA 101 N -2.85 -0.06 0.01 11.12 0.00 -1.26 -5.17 121.76 123.55 2dhm s ALA 101 Ca 0.04 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.57 2dhm s ALA 101 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 2dhm s ALA 101 CO -0.03 -0.21 -0.03 -1.54 0.00 0.00 0.00 175.76 173.96 2dhm s SER 102 N -1.57 0.28 0.50 0.00 1.04 -1.26 -5.15 113.70 107.54 2dhm s SER 102 Ca -0.13 -0.22 -0.21 0.00 0.48 0.00 0.00 55.95 55.86 2dhm s SER 102 Cb -0.07 0.02 -0.07 0.00 0.10 0.00 0.00 66.02 66.00 2dhm s SER 102 CO -0.01 -0.10 1.15 -2.16 0.98 0.00 0.00 173.24 173.10 2dhm s PRO 103 N -0.61 3.57 -0.04 4.02 0.04 -1.26 -4.97 135.00 135.75 2dhm s PRO 103 Ca -0.05 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 2dhm s PRO 103 Cb -0.04 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 2dhm s PRO 103 CO -0.00 -0.69 1.48 -1.25 0.04 0.00 0.00 177.00 176.58 2dhm s PRO 104 N -2.97 4.24 0.60 0.56 0.04 -1.26 -5.02 135.00 131.19 2dhm s PRO 104 Ca 0.68 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.73 2dhm s PRO 104 Cb -0.26 -3.74 0.05 0.00 0.04 0.00 0.00 34.50 30.59 2dhm s PRO 104 CO 0.31 -0.70 0.85 0.00 0.04 0.00 0.00 177.00 177.51 2dhm n ARG 106 N -2.53 -0.19 0.00 0.00 0.63 -1.26 -5.33 116.66 107.98 2dhm n ARG 106 Ca 0.09 1.13 0.00 0.00 -0.92 0.00 0.00 57.85 58.15 2dhm n ARG 106 Cb 0.60 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.83 2dhm n ARG 106 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53