#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmi s SER 2 N 0.00 -1.01 0.18 1.61 0.01 -1.26 -5.17 113.70 108.06 2dmi s SER 2 Ca 0.00 1.52 -0.23 0.00 1.31 0.00 0.00 55.95 58.55 2dmi s SER 2 Cb 0.00 1.75 0.06 0.00 0.21 0.00 0.00 66.02 68.03 2dmi s SER 2 CO 0.00 -0.23 0.66 -0.94 0.41 0.00 0.00 173.24 173.15 2dmi s SER 3 N 2.13 -0.46 0.00 2.44 1.04 -1.26 -5.14 113.70 112.46 2dmi s SER 3 Ca -0.08 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2dmi s SER 3 Cb -0.08 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2dmi s SER 3 CO -0.19 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.58 2dmi n GLY 4 N -0.40 0.25 4.15 7.32 0.00 -1.26 -4.93 105.19 110.33 2dmi n GLY 4 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 2dmi n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dmi n SER 5 N -0.29 0.82 -4.51 1.61 3.41 -1.26 -4.66 113.62 108.73 2dmi n SER 5 Ca 0.00 -1.16 -0.42 0.00 -0.26 0.00 0.00 58.87 57.03 2dmi n SER 5 Cb 0.00 -1.44 -0.07 0.00 -0.26 0.00 0.00 64.21 62.44 2dmi n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dmi n SER 6 N -2.58 1.99 0.00 4.04 2.88 -1.26 -2.82 113.62 115.87 2dmi n SER 6 Ca -0.29 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 2dmi n SER 6 Cb 0.63 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 2dmi n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmi n GLY 7 N 6.24 1.40 2.63 0.46 0.00 -1.26 -4.83 105.19 109.83 2dmi n GLY 7 Ca 0.43 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2dmi n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmi s LYS 8 N 2.29 0.08 -0.28 1.61 -0.14 -1.26 -4.50 119.74 117.53 2dmi s LYS 8 Ca 0.00 -0.05 -0.25 0.00 -1.36 0.00 0.00 55.97 54.31 2dmi s LYS 8 Cb 0.00 -1.73 0.13 0.00 -1.68 0.00 0.00 37.83 34.55 2dmi s LYS 8 CO 0.00 -0.67 1.09 -1.17 -0.76 0.00 0.00 175.35 173.84 2dmi s LEU 9 N 2.17 -0.39 0.10 3.17 0.20 0.45 -4.72 118.68 119.66 2dmi s LEU 9 Ca 0.03 0.75 -0.23 0.00 0.69 0.00 0.00 54.13 55.37 2dmi s LEU 9 Cb -0.16 1.77 -0.07 0.00 -0.43 0.00 0.00 46.19 47.30 2dmi s LEU 9 CO -0.10 -0.13 0.69 -0.72 -0.29 0.00 0.00 176.35 175.80 2dmi s TYR 10 N 0.18 3.83 0.00 5.38 -0.85 -1.26 -1.46 117.35 123.17 2dmi s TYR 10 Ca 0.04 1.45 0.00 0.00 -0.52 0.00 0.00 57.07 58.04 2dmi s TYR 10 Cb -0.05 -2.67 0.00 0.00 0.38 0.00 0.00 41.96 39.62 2dmi s TYR 10 CO -0.07 0.49 0.00 0.41 -1.52 0.00 0.00 175.55 174.86 2dmi n GLY 11 N 1.83 1.18 3.65 5.49 0.00 -1.26 -4.92 105.19 111.15 2dmi n GLY 11 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 2dmi n GLY 11 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmi s SER 12 N -0.08 -0.25 0.08 1.61 0.15 -1.26 -5.16 113.70 108.79 2dmi s SER 12 Ca 0.00 0.41 -0.23 0.00 0.70 0.00 0.00 55.95 56.84 2dmi s SER 12 Cb 0.00 1.06 -0.06 0.00 -1.71 0.00 0.00 66.02 65.31 2dmi s SER 12 CO 0.00 -0.07 0.68 0.27 1.20 0.00 0.00 173.24 175.33 2dmi s ILE 13 N 1.10 4.66 -0.87 6.45 -4.36 -1.26 -5.02 121.20 121.91 2dmi s ILE 13 Ca -0.08 1.47 -0.15 0.00 -0.26 0.00 0.00 60.65 61.64 2dmi s ILE 13 Cb -0.03 -4.03 0.21 0.00 1.25 0.00 0.00 42.46 39.86 2dmi s ILE 13 CO -0.12 0.47 0.87 0.12 0.24 0.00 0.00 174.94 176.52 2dmi s PHE 14 N -0.68 3.67 -0.92 1.37 5.36 -1.26 -4.70 117.98 120.83 2dmi s PHE 14 Ca 0.34 -1.92 -0.01 0.00 -0.96 0.00 0.00 56.93 54.37 2dmi s PHE 14 Cb -0.21 -3.92 0.01 0.00 -0.34 0.00 0.00 43.02 38.57 2dmi s PHE 14 CO 0.22 -1.09 0.03 0.25 -1.46 0.00 0.00 175.22 173.17 2dmi n THR 15 N 4.19 -0.53 -0.20 0.12 -2.24 -1.26 -4.86 114.28 109.51 2dmi n THR 15 Ca 0.17 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2dmi n THR 15 Cb 0.47 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 2dmi n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmi n GLY 16 N -1.82 -2.75 3.75 3.38 0.00 -1.26 -5.01 105.19 101.48 2dmi n GLY 16 Ca -0.17 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 2dmi n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmi s ALA 17 N -2.66 1.69 -0.33 4.61 0.00 -1.26 -5.04 121.76 118.77 2dmi s ALA 17 Ca 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.71 2dmi s ALA 17 Cb 0.00 -3.11 0.10 0.00 0.00 0.00 0.00 23.12 20.11 2dmi s ALA 17 CO 0.00 -2.25 0.03 -1.54 0.00 0.00 0.00 175.76 172.00 2dmi s SER 18 N -3.73 4.73 -0.15 0.00 1.04 -1.26 -4.29 113.70 110.04 2dmi s SER 18 Ca 0.63 -2.06 -0.11 0.00 0.48 0.00 0.00 55.95 54.89 2dmi s SER 18 Cb -0.16 -1.62 -0.06 0.00 0.10 0.00 0.00 66.02 64.28 2dmi s SER 18 CO 0.55 -0.36 -0.07 0.11 0.98 0.00 0.00 173.24 174.45 2dmi h LYS 19 N 7.63 0.00 -6.77 4.02 1.79 -1.76 -3.48 116.57 118.01 2dmi h LYS 19 Ca -0.06 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.92 2dmi h LYS 19 Cb 1.02 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.65 2dmi h LYS 19 CO 0.51 0.19 0.24 -0.06 -1.08 0.00 0.00 179.45 179.25 2dmi s PHE 20 N -2.19 3.62 -0.03 -1.35 0.40 -0.43 -4.94 117.98 113.06 2dmi s PHE 20 Ca -0.16 1.58 0.01 0.00 -0.60 0.00 0.00 56.93 57.76 2dmi s PHE 20 Cb 0.02 -2.77 0.02 0.00 0.51 0.00 0.00 43.02 40.80 2dmi s PHE 20 CO 0.27 0.23 -0.03 1.03 0.70 0.00 0.00 175.22 177.41 2dmi s ARG 21 N -2.18 0.59 0.30 0.44 0.52 -1.26 -1.30 118.95 116.07 2dmi s ARG 21 Ca 0.49 -0.06 -0.24 0.00 -0.52 0.00 0.00 55.73 55.39 2dmi s ARG 21 Cb -0.16 -0.65 -0.10 0.00 0.52 0.00 0.00 34.95 34.56 2dmi s ARG 21 CO 0.21 -0.07 0.89 0.00 0.02 0.00 0.00 175.30 176.36 2dmi h LYS 23 N 3.20 -0.04 -0.32 0.00 3.64 -1.81 -3.39 116.57 117.84 2dmi h LYS 23 Ca -0.47 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.94 2dmi h LYS 23 Cb 1.19 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 2dmi h LYS 23 CO 0.65 -0.03 -0.19 -0.25 -2.27 0.00 0.00 179.45 177.36 2dmi n ASP 24 N -3.23 -0.34 -3.58 4.20 9.92 -1.26 -4.57 116.55 117.69 2dmi n ASP 24 Ca -0.01 0.98 -0.11 0.00 -0.53 0.00 0.00 54.79 55.13 2dmi n ASP 24 Cb 0.02 -0.28 0.04 0.00 -0.64 0.00 0.00 41.12 40.26 2dmi n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dmi n SER 26 N -2.62 6.46 -4.93 0.00 3.41 -1.26 -4.55 113.62 110.13 2dmi n SER 26 Ca 0.08 -3.79 -0.19 0.00 -0.26 0.00 0.00 58.87 54.71 2dmi n SER 26 Cb 0.32 -0.80 -0.01 0.00 -0.26 0.00 0.00 64.21 63.46 2dmi n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dmi s ALA 27 N -3.83 4.19 -0.20 7.33 0.00 -1.26 -4.98 121.76 123.01 2dmi s ALA 27 Ca 0.53 -1.69 -0.19 0.00 0.00 0.00 0.00 51.96 50.60 2dmi s ALA 27 Cb 0.44 -1.36 0.05 0.00 0.00 0.00 0.00 23.12 22.25 2dmi s ALA 27 CO -0.24 -0.16 0.55 0.00 0.00 0.00 0.00 175.76 175.91 2dmi s ALA 28 N -2.34 -1.35 0.33 0.00 0.00 -1.26 -1.42 121.76 115.71 2dmi s ALA 28 Ca 0.48 1.52 0.07 0.00 0.00 0.00 0.00 51.96 54.03 2dmi s ALA 28 Cb -0.07 -0.87 -0.06 0.00 0.00 0.00 0.00 23.12 22.12 2dmi s ALA 28 CO 0.30 -0.26 -0.04 0.71 0.00 0.00 0.00 175.76 176.47 2dmi s TYR 29 N 0.24 2.18 -0.15 0.00 1.51 -0.42 -4.94 117.35 115.77 2dmi s TYR 29 Ca -0.00 -0.68 -0.06 0.00 -1.01 0.00 0.00 57.07 55.32 2dmi s TYR 29 Cb -0.04 -1.33 -0.24 0.00 -0.11 0.00 0.00 41.96 40.24 2dmi s TYR 29 CO 0.01 0.35 0.25 -3.47 -1.11 0.00 0.00 175.55 171.58 2dmi n ASP 30 N -0.73 2.09 -4.57 2.29 2.03 -1.26 -1.31 116.55 115.08 2dmi n ASP 30 Ca -0.05 0.17 -0.34 0.00 0.52 0.00 0.00 54.79 55.09 2dmi n ASP 30 Cb 0.65 -0.80 -0.11 0.00 -0.72 0.00 0.00 41.12 40.14 2dmi n ASP 30 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2dmi s THR 31 N -2.54 3.96 0.12 5.18 -4.23 -1.26 -4.68 115.64 112.19 2dmi s THR 31 Ca -0.25 -0.36 -0.20 0.00 -1.18 0.00 0.00 61.69 59.70 2dmi s THR 31 Cb 0.07 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.18 2dmi s THR 31 CO 0.73 0.55 1.74 0.25 -0.54 0.00 0.00 174.62 177.35 2dmi h LEU 32 N 5.85 0.02 -1.00 4.79 5.85 -1.99 -2.06 115.31 126.76 2dmi h LEU 32 Ca -0.42 0.03 0.32 0.00 0.84 0.00 0.00 57.88 58.65 2dmi h LEU 32 Cb 1.19 0.04 -0.15 0.00 0.37 0.00 0.00 40.66 42.10 2dmi h LEU 32 CO 0.57 0.04 0.57 1.62 -0.34 0.00 0.00 178.44 180.90 2dmi h VAL 33 N 0.12 0.32 -0.21 1.05 3.04 -2.00 0.51 116.25 119.08 2dmi h VAL 33 Ca 0.09 -0.12 -0.21 0.00 -1.01 0.00 0.00 66.70 65.45 2dmi h VAL 33 Cb 0.08 -0.06 0.01 0.00 -2.01 0.00 0.00 31.29 29.31 2dmi h VAL 33 CO -0.11 0.06 -0.69 -0.33 -1.01 0.00 0.00 177.57 175.49 2dmi h GLU 34 N 0.35 0.82 0.69 4.17 5.08 -1.82 -3.24 114.58 120.63 2dmi h GLU 34 Ca 0.73 -0.61 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2dmi h GLU 34 Cb 1.63 0.11 0.01 0.00 0.50 0.00 0.00 28.75 31.00 2dmi h GLU 34 CO -0.60 1.22 -0.33 1.25 -1.00 0.00 0.00 179.01 179.56 2dmi h LEU 35 N 0.59 -0.78 -0.86 1.33 5.85 0.39 -3.12 115.31 118.71 2dmi h LEU 35 Ca -0.03 0.03 0.29 0.00 0.84 0.00 0.00 57.88 59.01 2dmi h LEU 35 Cb 1.31 0.20 -0.16 0.00 0.37 0.00 0.00 40.66 42.38 2dmi h LEU 35 CO 0.15 -0.44 0.20 0.35 -0.34 0.00 0.00 178.44 178.35 2dmi n THR 36 N -5.13 -0.36 0.18 1.05 -2.24 0.54 0.44 114.28 108.76 2dmi n THR 36 Ca -0.11 1.82 -0.15 0.00 -2.27 0.00 0.00 64.05 63.34 2dmi n THR 36 Cb 0.36 -2.78 -0.07 0.00 -2.10 0.00 0.00 70.33 65.74 2dmi n THR 36 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2dmi h VAL 37 N 0.00 0.34 -0.27 2.28 2.07 -1.56 -0.01 116.25 119.10 2dmi h VAL 37 Ca 0.60 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.17 2dmi h VAL 37 Cb 1.42 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2dmi h VAL 37 CO -0.75 0.00 0.19 -0.74 0.02 0.00 0.00 177.57 176.29 2dmi h HIS 38 N -0.63 0.15 0.31 1.57 -0.00 0.02 0.48 115.15 117.06 2dmi h HIS 38 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 2dmi h HIS 38 Cb 0.59 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 2dmi h HIS 38 CO -0.21 0.09 -0.15 0.52 -0.00 0.00 0.00 177.93 178.18 2dmi h MET 39 N 0.16 -0.40 0.00 5.26 2.86 -0.31 -0.37 114.93 122.12 2dmi h MET 39 Ca 0.12 0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 2dmi h MET 39 Cb 0.28 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2dmi h MET 39 CO -0.02 -0.07 -0.46 -0.91 1.06 0.00 0.00 176.91 176.51 2dmi h ASN 40 N -0.82 0.00 0.07 1.22 2.35 -0.68 0.17 115.58 117.89 2dmi h ASN 40 Ca -0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2dmi h ASN 40 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2dmi h ASN 40 CO 0.07 0.46 -0.03 -0.33 -1.65 0.00 0.00 177.43 175.94 2dmi h GLU 41 N 0.00 -0.09 0.00 0.81 5.08 -0.05 -3.26 114.58 117.07 2dmi h GLU 41 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dmi h GLU 41 Cb 0.82 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2dmi h GLU 41 CO 0.06 -0.06 0.00 0.25 -1.00 0.00 0.00 179.01 178.26 2dmi n THR 42 N -2.49 0.00 0.00 1.13 -2.24 -0.15 -4.85 114.28 105.68 2dmi n THR 42 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2dmi n THR 42 Cb 0.04 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 2dmi n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmi n GLY 43 N 0.37 2.49 3.13 3.38 0.00 0.41 -5.00 105.19 109.98 2dmi n GLY 43 Ca 0.13 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2dmi n GLY 43 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dmi n HIS 44 N 0.00 -4.02 -4.20 1.61 8.25 -0.21 -4.66 115.22 112.00 2dmi n HIS 44 Ca 0.00 0.06 -0.12 0.00 -0.26 0.00 0.00 57.72 57.40 2dmi n HIS 44 Cb 0.00 -1.55 -0.10 0.00 1.12 0.00 0.00 29.99 29.46 2dmi n HIS 44 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2dmi s TYR 45 N -2.11 1.07 0.89 4.41 2.02 -1.26 -3.79 117.35 118.58 2dmi s TYR 45 Ca 0.46 -1.22 -0.15 0.00 -0.37 0.00 0.00 57.07 55.79 2dmi s TYR 45 Cb -0.20 -0.59 -0.03 0.00 -0.40 0.00 0.00 41.96 40.75 2dmi s TYR 45 CO 0.78 -0.46 0.16 -2.13 -1.57 0.00 0.00 175.55 172.32 2dmi n ARG 46 N -0.20 -0.08 -0.13 -0.62 3.00 -1.26 -3.61 116.66 113.75 2dmi n ARG 46 Ca -0.03 0.01 -0.29 0.00 -0.00 0.00 0.00 57.85 57.54 2dmi n ARG 46 Cb 0.64 -1.64 -0.10 0.00 0.00 0.00 0.00 32.46 31.36 2dmi n ARG 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2dmi n ASP 47 N 0.07 1.94 -4.31 6.15 2.03 -1.26 -4.61 116.55 116.57 2dmi n ASP 47 Ca 0.06 0.35 -0.29 0.00 0.52 0.00 0.00 54.79 55.43 2dmi n ASP 47 Cb 0.53 -0.84 0.18 0.00 -0.72 0.00 0.00 41.12 40.27 2dmi n ASP 47 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2dmi s ASP 48 N -7.41 2.49 -0.04 1.67 1.01 -1.26 -4.93 116.67 108.21 2dmi s ASP 48 Ca -0.37 0.71 -0.30 0.00 0.71 0.00 0.00 52.55 53.30 2dmi s ASP 48 Cb 0.14 -1.06 -0.07 0.00 1.01 0.00 0.00 42.92 42.94 2dmi s ASP 48 CO 0.51 -3.16 1.82 0.54 0.21 0.00 0.00 175.17 175.08 2dmi s ASN 49 N -4.14 6.48 1.08 0.27 4.22 -1.26 -4.97 114.94 116.63 2dmi s ASN 49 Ca 0.69 2.35 -0.12 0.00 -2.14 0.00 0.00 52.86 53.64 2dmi s ASN 49 Cb -0.11 -2.53 0.24 0.00 1.28 0.00 0.00 41.25 40.13 2dmi s ASN 49 CO 0.54 -1.07 1.06 -1.38 -2.04 0.00 0.00 177.10 174.22 2dmi s HIS 50 N 4.56 1.57 0.12 1.54 -3.43 -1.26 -5.07 115.29 113.32 2dmi s HIS 50 Ca 0.81 1.26 -0.15 0.00 -0.80 0.00 0.00 55.06 56.18 2dmi s HIS 50 Cb -0.37 -3.16 0.03 0.00 -1.43 0.00 0.00 32.58 27.66 2dmi s HIS 50 CO 0.35 -3.47 0.38 -1.83 -2.00 0.00 0.00 174.74 168.17 2dmi s GLU 51 N -4.59 1.04 -0.11 -0.38 -1.05 -1.26 -5.16 118.70 107.19 2dmi s GLU 51 Ca 0.67 -0.73 0.03 0.00 -0.15 0.00 0.00 54.97 54.79 2dmi s GLU 51 Cb -0.23 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 2dmi s GLU 51 CO 0.62 -0.40 -0.22 0.95 0.95 0.00 0.00 175.26 177.16 2dmi s THR 52 N -3.81 1.97 -0.17 1.83 -4.23 -1.26 -5.00 115.64 104.97 2dmi s THR 52 Ca 0.03 -0.95 0.19 0.00 -1.18 0.00 0.00 61.69 59.77 2dmi s THR 52 Cb 0.02 -1.73 -0.06 0.00 1.34 0.00 0.00 72.50 72.08 2dmi s THR 52 CO -0.12 0.54 0.98 -0.78 -0.54 0.00 0.00 174.62 174.69 2dmi h ASP 53 N 6.97 0.00 -3.75 3.99 3.58 -2.05 -3.45 116.42 121.70 2dmi h ASP 53 Ca -0.25 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.53 2dmi h ASP 53 Cb 1.22 0.00 -0.32 0.00 1.72 0.00 0.00 39.33 41.95 2dmi h ASP 53 CO 0.50 0.37 -0.88 0.54 -2.88 0.00 0.00 179.24 176.89 2dmi s ASN 54 N -5.72 2.94 -0.77 2.28 2.20 -1.26 -5.08 114.94 109.52 2dmi s ASN 54 Ca -0.01 -0.51 -0.11 0.00 -0.94 0.00 0.00 52.86 51.29 2dmi s ASN 54 Cb 0.09 -1.02 0.20 0.00 -2.00 0.00 0.00 41.25 38.52 2dmi s ASN 54 CO 0.79 0.20 0.68 0.21 -2.94 0.00 0.00 177.10 176.04 2dmi s ASN 55 N 0.06 6.33 0.02 3.54 3.84 -1.26 -5.03 114.94 122.44 2dmi s ASN 55 Ca -0.09 -2.76 0.02 0.00 0.21 0.00 0.00 52.86 50.24 2dmi s ASN 55 Cb -0.15 -2.11 -0.01 0.00 -0.55 0.00 0.00 41.25 38.43 2dmi s ASN 55 CO 0.05 -0.51 -0.08 0.20 -2.79 0.00 0.00 177.10 173.98 2dmi s ASN 56 N 1.71 0.86 0.46 -4.21 -0.87 -1.26 -5.03 114.94 106.61 2dmi s ASN 56 Ca 0.18 -0.32 0.31 0.00 -1.57 0.00 0.00 52.86 51.45 2dmi s ASN 56 Cb -0.13 -0.03 1.27 0.00 -0.02 0.00 0.00 41.25 42.34 2dmi s ASN 56 CO -0.07 -0.04 1.91 1.55 -2.57 0.00 0.00 177.10 177.87 2dmi h PRO 57 N 5.28 0.00 -5.59 -0.60 0.13 -2.08 -3.41 132.00 125.73 2dmi h PRO 57 Ca -0.32 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.61 2dmi h PRO 57 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2dmi h PRO 57 CO 0.46 0.00 0.50 0.15 -0.23 0.00 0.00 178.00 178.88 2dmi s LYS 58 N -3.57 2.24 -0.27 0.86 1.02 -1.26 -4.79 119.74 113.97 2dmi s LYS 58 Ca 0.02 -0.05 -0.01 0.00 0.02 0.00 0.00 55.97 55.95 2dmi s LYS 58 Cb 0.09 -4.97 0.18 0.00 -0.52 0.00 0.00 37.83 32.61 2dmi s LYS 58 CO 0.49 -3.74 2.01 -2.13 -0.92 0.00 0.00 175.35 171.06 2dmi n ARG 59 N 8.84 1.69 -1.64 1.68 0.63 -1.26 -4.90 116.66 121.70 2dmi n ARG 59 Ca 0.42 -1.34 -0.24 0.00 -0.92 0.00 0.00 57.85 55.77 2dmi n ARG 59 Cb 0.46 -1.53 -0.05 0.00 0.45 0.00 0.00 32.46 31.79 2dmi n ARG 59 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 2dmi s TRP 60 N -1.56 1.20 0.43 -0.14 -0.00 -1.26 -4.92 118.94 112.69 2dmi s TRP 60 Ca 0.26 1.65 -0.24 0.00 -0.00 0.00 0.00 56.10 57.78 2dmi s TRP 60 Cb 0.21 -3.58 -0.08 0.00 -0.00 0.00 0.00 33.47 30.02 2dmi s TRP 60 CO -0.00 -1.98 1.14 -1.12 -0.00 0.00 0.00 176.95 174.99 2dmi s SER 61 N 10.96 6.41 0.60 5.86 0.01 -1.26 -5.01 113.70 131.27 2dmi s SER 61 Ca 0.91 2.27 -0.16 0.00 1.31 0.00 0.00 55.95 60.28 2dmi s SER 61 Cb -0.14 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.46 2dmi s SER 61 CO 0.15 -0.75 1.08 -0.54 0.41 0.00 0.00 173.24 173.59 2dmi s LYS 62 N -2.52 3.20 1.09 12.44 -0.14 -1.26 -5.05 119.74 127.51 2dmi s LYS 62 Ca 0.60 1.32 -0.18 0.00 -1.36 0.00 0.00 55.97 56.34 2dmi s LYS 62 Cb -0.28 -2.01 0.27 0.00 -1.68 0.00 0.00 37.83 34.13 2dmi s LYS 62 CO 0.35 -0.92 0.97 -0.35 -0.76 0.00 0.00 175.35 174.63 2dmi n PRO 63 N -1.99 -2.91 -0.34 -1.68 -0.04 -1.26 -5.00 135.00 121.77 2dmi n PRO 63 Ca 0.10 -1.55 0.08 0.00 -0.04 0.00 0.00 63.50 62.08 2dmi n PRO 63 Cb 0.52 -1.45 0.14 0.00 -0.04 0.00 0.00 33.50 32.67 2dmi n PRO 63 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2dmi n ARG 64 N -4.47 1.17 -4.03 0.54 0.63 -1.26 -5.05 116.66 104.20 2dmi n ARG 64 Ca 0.13 -2.60 -0.28 0.00 -0.92 0.00 0.00 57.85 54.19 2dmi n ARG 64 Cb 0.52 -1.35 -0.05 0.00 0.45 0.00 0.00 32.46 32.03 2dmi n ARG 64 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2dmi s LYS 65 N -2.54 3.07 0.01 -0.14 3.01 -1.26 -5.04 119.74 116.84 2dmi s LYS 65 Ca 0.31 -0.71 -0.36 0.00 -1.01 0.00 0.00 55.97 54.19 2dmi s LYS 65 Cb 0.28 -2.78 -0.15 0.00 -1.01 0.00 0.00 37.83 34.17 2dmi s LYS 65 CO -0.01 0.53 1.55 2.89 0.51 0.00 0.00 175.35 180.82 2dmi n ARG 66 N -0.07 1.52 -3.92 1.68 1.85 -1.26 -4.97 116.66 111.49 2dmi n ARG 66 Ca -0.08 0.55 -0.12 0.00 -1.00 0.00 0.00 57.85 57.21 2dmi n ARG 66 Cb 0.53 -2.26 -0.13 0.00 -1.05 0.00 0.00 32.46 29.55 2dmi n ARG 66 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2dmi s SER 67 N 1.67 0.11 -0.58 2.89 0.01 -1.26 -5.03 113.70 111.50 2dmi s SER 67 Ca 0.87 -0.10 0.06 0.00 1.31 0.00 0.00 55.95 58.09 2dmi s SER 67 Cb -0.88 0.01 0.24 0.00 0.21 0.00 0.00 66.02 65.60 2dmi s SER 67 CO 0.49 -0.05 0.65 0.18 0.41 0.00 0.00 173.24 174.93 2dmi n LEU 68 N 2.80 2.69 -4.72 2.44 4.32 -1.26 -5.09 117.00 118.18 2dmi n LEU 68 Ca -0.14 -5.21 -0.42 0.00 -0.02 0.00 0.00 56.01 50.23 2dmi n LEU 68 Cb 0.59 -0.32 -0.04 0.00 -1.62 0.00 0.00 43.42 42.03 2dmi n LEU 68 CO 0.25 2.02 0.78 -0.76 -1.22 0.00 0.00 177.39 178.46 2dmi s LEU 69 N -1.98 4.43 -0.32 2.23 1.43 -1.26 -4.93 118.68 118.28 2dmi s LEU 69 Ca 0.37 1.93 0.08 0.00 -1.03 0.00 0.00 54.13 55.48 2dmi s LEU 69 Cb 0.13 -3.59 0.50 0.00 0.03 0.00 0.00 46.19 43.26 2dmi s LEU 69 CO -0.06 -0.28 1.47 -0.62 0.23 0.00 0.00 176.35 177.10 2dmi n GLU 70 N 3.23 2.08 -0.47 1.70 -0.58 -1.26 -5.05 120.64 120.29 2dmi n GLU 70 Ca 0.05 -3.32 -0.25 0.00 -0.42 0.00 0.00 57.16 53.23 2dmi n GLU 70 Cb 0.48 -1.90 0.20 0.00 -0.57 0.00 0.00 31.44 29.64 2dmi n GLU 70 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2dmi n MET 71 N -1.07 -2.84 -1.37 3.49 2.81 -1.26 -4.74 117.12 112.15 2dmi n MET 71 Ca 0.37 -0.83 -0.52 0.00 -1.81 0.00 0.00 57.70 54.90 2dmi n MET 71 Cb 1.01 -1.69 -0.06 0.00 -0.71 0.00 0.00 33.22 31.77 2dmi n MET 71 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2dmi n GLU 72 N -3.12 0.00 0.00 0.03 4.71 -1.26 -4.14 120.64 116.86 2dmi n GLU 72 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 2dmi n GLU 72 Cb 0.49 -1.28 0.00 0.00 -1.01 0.00 0.00 31.44 29.64 2dmi n GLU 72 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2dmi n GLY 73 N 1.50 1.40 3.55 0.62 0.00 -1.26 -5.08 105.19 105.93 2dmi n GLY 73 Ca 0.18 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2dmi n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmi s LYS 74 N 0.00 3.21 -0.68 1.61 3.01 -1.26 -4.91 119.74 120.73 2dmi s LYS 74 Ca 0.00 -0.44 0.05 0.00 -1.01 0.00 0.00 55.97 54.57 2dmi s LYS 74 Cb 0.00 -4.66 0.17 0.00 -1.01 0.00 0.00 37.83 32.33 2dmi s LYS 74 CO 0.00 -2.33 0.47 -2.00 0.51 0.00 0.00 175.35 172.00 2dmi s GLU 75 N 5.73 2.34 -0.40 1.68 2.12 -0.98 -0.41 118.70 128.78 2dmi s GLU 75 Ca 0.45 -3.23 0.11 0.00 0.36 0.00 0.00 54.97 52.67 2dmi s GLU 75 Cb -0.06 -3.31 0.38 0.00 0.26 0.00 0.00 34.13 31.40 2dmi s GLU 75 CO 0.06 -1.28 0.84 -0.25 -0.54 0.00 0.00 175.26 174.10 2dmi n ASP 76 N 2.11 1.91 -4.57 -1.70 8.00 -0.54 -4.81 116.55 116.94 2dmi n ASP 76 Ca 0.19 -3.12 -0.36 0.00 0.71 0.00 0.00 54.79 52.21 2dmi n ASP 76 Cb 0.35 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 2dmi n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dmi s ALA 77 N -2.85 2.53 0.50 2.24 0.00 -1.13 -4.50 121.76 118.56 2dmi s ALA 77 Ca 0.39 -2.37 -0.19 0.00 0.00 0.00 0.00 51.96 49.80 2dmi s ALA 77 Cb 0.36 -4.62 -0.14 0.00 0.00 0.00 0.00 23.12 18.73 2dmi s ALA 77 CO -0.07 -4.14 0.07 0.94 0.00 0.00 0.00 175.76 172.56 2dmi n GLN 78 N 8.52 0.13 -0.67 0.00 -0.06 -1.26 -4.68 117.38 119.37 2dmi n GLN 78 Ca 0.43 0.05 0.51 0.00 -2.00 0.00 0.00 57.00 56.00 2dmi n GLN 78 Cb 0.47 -1.16 0.82 0.00 -4.06 0.00 0.00 30.24 26.31 2dmi n GLN 78 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 2dmi h LYS 79 N 0.13 0.00 -6.67 3.69 6.56 -1.99 -3.37 116.57 114.92 2dmi h LYS 79 Ca -0.41 -0.00 -0.70 0.00 -1.06 0.00 0.00 60.65 58.48 2dmi h LYS 79 Cb 1.44 -0.00 -0.28 0.00 -0.57 0.00 0.00 32.23 32.82 2dmi h LYS 79 CO 0.44 0.00 -0.88 0.54 -2.06 0.00 0.00 179.45 177.49 2dmi s VAL 80 N -4.88 2.13 -0.15 0.50 0.11 -1.26 -5.07 120.40 111.77 2dmi s VAL 80 Ca -0.05 -1.24 -0.40 0.00 -2.93 0.00 0.00 61.98 57.36 2dmi s VAL 80 Cb 0.27 -1.78 -0.19 0.00 -1.53 0.00 0.00 36.38 33.15 2dmi s VAL 80 CO 0.89 0.47 1.16 0.18 -3.33 0.00 0.00 175.10 174.47 2dmi n LEU 81 N 2.09 0.36 -3.86 2.54 4.77 -1.25 -4.78 117.00 116.88 2dmi n LEU 81 Ca -0.16 1.09 -0.12 0.00 -0.03 0.00 0.00 56.01 56.79 2dmi n LEU 81 Cb 0.51 -0.85 -0.13 0.00 -2.33 0.00 0.00 43.42 40.62 2dmi n LEU 81 CO 0.23 -1.46 -0.31 -0.75 -1.33 0.00 0.00 177.39 173.78 2dmi s LYS 82 N 0.92 0.08 0.66 3.23 2.47 -1.26 -0.95 119.74 124.90 2dmi s LYS 82 Ca 0.89 0.01 -0.12 0.00 -1.56 0.00 0.00 55.97 55.19 2dmi s LYS 82 Cb -1.26 0.04 -0.01 0.00 -1.46 0.00 0.00 37.83 35.14 2dmi s LYS 82 CO 0.61 -0.01 1.06 0.00 0.16 0.00 0.00 175.35 177.17 2dmi n MET 84 N -2.78 0.68 0.36 0.00 0.00 -1.26 -3.20 117.12 110.92 2dmi n MET 84 Ca 0.08 0.17 -0.14 0.00 0.00 0.00 0.00 57.70 57.80 2dmi n MET 84 Cb 0.53 -1.57 -0.07 0.00 0.00 0.00 0.00 33.22 32.11 2dmi n MET 84 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2dmi h TYR 85 N 0.02 -0.86 0.00 2.03 5.03 -1.95 -3.41 116.97 117.83 2dmi h TYR 85 Ca -0.53 -0.02 -0.41 0.00 2.58 0.00 0.00 58.73 60.35 2dmi h TYR 85 Cb 1.96 0.29 -0.06 0.00 1.55 0.00 0.00 36.73 40.47 2dmi h TYR 85 CO 0.04 -0.54 -2.37 0.00 -1.32 0.00 0.00 178.16 173.97 2dmi n GLY 87 N 1.52 0.53 3.13 0.00 0.00 -1.19 -4.97 105.19 104.20 2dmi n GLY 87 Ca -0.48 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 2dmi n GLY 87 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dmi s HIS 88 N 0.00 2.30 -0.28 1.61 3.76 -1.26 -4.73 115.29 116.69 2dmi s HIS 88 Ca 0.00 -1.08 -0.29 0.00 -0.15 0.00 0.00 55.06 53.54 2dmi s HIS 88 Cb 0.00 -1.59 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 2dmi s HIS 88 CO 0.00 -0.50 1.40 -1.54 -0.85 0.00 0.00 174.74 173.24 2dmi s SER 89 N 0.78 6.57 -0.07 1.40 1.04 -1.26 -3.17 113.70 119.00 2dmi s SER 89 Ca -0.10 1.31 -0.01 0.00 0.48 0.00 0.00 55.95 57.63 2dmi s SER 89 Cb -0.16 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 2dmi s SER 89 CO 0.01 -1.15 -0.01 -0.36 0.98 0.00 0.00 173.24 172.71 2dmi s PHE 90 N 4.66 3.11 0.38 5.02 0.08 -0.12 -5.01 117.98 126.10 2dmi s PHE 90 Ca 0.61 0.15 0.08 0.00 0.12 0.00 0.00 56.93 57.88 2dmi s PHE 90 Cb -0.19 -1.75 0.76 0.00 -0.57 0.00 0.00 43.02 41.26 2dmi s PHE 90 CO 0.25 0.45 1.92 1.05 -0.10 0.00 0.00 175.22 178.79 2dmi h GLU 91 N 5.02 0.34 -3.40 0.44 -0.00 -1.95 -3.32 114.58 111.71 2dmi h GLU 91 Ca -0.50 -0.07 -0.03 0.00 -0.00 0.00 0.00 59.36 58.76 2dmi h GLU 91 Cb 1.19 -0.05 -0.10 0.00 -0.00 0.00 0.00 28.75 29.78 2dmi h GLU 91 CO 0.54 0.41 -0.02 -1.54 -0.00 0.00 0.00 179.01 178.40 2dmi s SER 92 N -6.83 -0.20 0.22 3.06 1.04 -1.26 -4.92 113.70 104.81 2dmi s SER 92 Ca -0.06 -0.58 -0.08 0.00 0.48 0.00 0.00 55.95 55.70 2dmi s SER 92 Cb 0.16 0.57 0.35 0.00 0.10 0.00 0.00 66.02 67.19 2dmi s SER 92 CO 0.74 -1.05 1.70 -0.07 0.98 0.00 0.00 173.24 175.53 2dmi h LEU 93 N 2.24 0.01 -0.39 2.42 3.38 -1.99 -2.65 115.31 118.33 2dmi h LEU 93 Ca -0.28 0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2dmi h LEU 93 Cb 1.26 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 2dmi h LEU 93 CO 0.38 -0.00 -0.23 1.67 0.09 0.00 0.00 178.44 180.35 2dmi n GLN 94 N -5.14 -0.17 -0.27 1.13 -0.06 -1.26 0.56 117.38 112.17 2dmi n GLN 94 Ca 0.11 0.99 -0.00 0.00 -2.00 0.00 0.00 57.00 56.09 2dmi n GLN 94 Cb 0.37 -1.47 0.12 0.00 -4.06 0.00 0.00 30.24 25.20 2dmi n GLN 94 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 2dmi h ASP 95 N 0.00 0.70 0.07 1.69 1.82 -1.90 -2.45 116.42 116.35 2dmi h ASP 95 Ca 0.06 0.02 0.02 0.00 -0.39 0.00 0.00 57.03 56.75 2dmi h ASP 95 Cb 0.16 -0.12 -0.05 0.00 0.68 0.00 0.00 39.33 40.00 2dmi h ASP 95 CO -0.36 0.45 -0.41 0.25 -1.61 0.00 0.00 179.24 177.56 2dmi h LEU 96 N 0.84 -1.22 0.24 2.28 6.46 0.40 -1.75 115.31 122.56 2dmi h LEU 96 Ca 0.34 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 58.24 2dmi h LEU 96 Cb 0.18 0.47 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 2dmi h LEU 96 CO -0.18 -0.47 -0.46 0.28 -0.62 0.00 0.00 178.44 177.00 2dmi h SER 97 N -0.61 -1.34 -1.00 1.25 0.02 -0.30 -0.97 113.55 110.61 2dmi h SER 97 Ca 0.03 0.13 0.20 0.00 -0.84 0.00 0.00 61.79 61.31 2dmi h SER 97 Cb 0.66 0.48 -0.19 0.00 0.14 0.00 0.00 62.40 63.49 2dmi h SER 97 CO -0.27 -0.53 -0.25 0.58 -1.14 0.00 0.00 176.83 175.21 2dmi h VAL 98 N -0.75 0.00 -0.44 2.27 2.07 -1.28 0.63 116.25 118.75 2dmi h VAL 98 Ca -0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2dmi h VAL 98 Cb 0.71 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2dmi h VAL 98 CO -0.18 0.00 0.27 -0.74 0.02 0.00 0.00 177.57 176.94 2dmi h HIS 99 N -0.00 0.57 0.11 1.57 -0.00 -0.78 0.27 115.15 116.88 2dmi h HIS 99 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.85 2dmi h HIS 99 Cb 0.72 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.94 2dmi h HIS 99 CO -0.77 0.39 -0.09 0.52 -0.00 0.00 0.00 177.93 177.98 2dmi h MET 100 N 0.58 -0.20 -0.08 5.26 2.86 0.15 0.49 114.93 123.98 2dmi h MET 100 Ca 0.16 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 2dmi h MET 100 Cb -0.01 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2dmi h MET 100 CO -0.03 -0.13 0.03 0.82 1.06 0.00 0.00 176.91 178.66 2dmi h ILE 101 N -0.21 1.15 0.54 -1.22 5.03 -0.58 1.42 117.51 123.65 2dmi h ILE 101 Ca -0.00 -0.46 -0.03 0.00 -0.12 0.00 0.00 64.86 64.25 2dmi h ILE 101 Cb 0.19 1.31 0.01 0.00 -3.03 0.00 0.00 36.82 35.29 2dmi h ILE 101 CO -0.01 0.13 -0.26 0.11 -0.68 0.00 0.00 178.15 177.44 2dmi h LYS 102 N -0.04 -0.70 0.00 2.37 6.56 -0.36 -2.99 116.57 121.41 2dmi h LYS 102 Ca 0.03 0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.66 2dmi h LYS 102 Cb 0.18 0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 32.00 2dmi h LYS 102 CO -0.00 -0.46 -0.03 1.79 -2.06 0.00 0.00 179.45 178.68 2dmi h THR 103 N -0.76 0.12 -5.10 -0.16 1.35 -0.10 -3.47 112.91 104.78 2dmi h THR 103 Ca -0.07 -0.42 -0.26 0.00 -0.55 0.00 0.00 66.41 65.11 2dmi h THR 103 Cb 0.55 1.37 0.15 0.00 -1.73 0.00 0.00 68.15 68.50 2dmi h THR 103 CO 0.12 0.03 -0.68 0.29 -0.25 0.00 0.00 175.52 175.03 2dmi n LYS 104 N -3.19 -4.48 -0.06 4.72 4.76 0.48 -4.95 118.16 115.44 2dmi n LYS 104 Ca -0.01 0.73 -0.13 0.00 -2.87 0.00 0.00 58.31 56.03 2dmi n LYS 104 Cb 0.24 -5.31 -0.14 0.00 -1.84 0.00 0.00 35.03 27.97 2dmi n LYS 104 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2dmi n HIS 105 N -3.45 0.54 0.12 2.13 8.25 -0.64 -3.96 115.22 118.21 2dmi n HIS 105 Ca -0.19 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2dmi n HIS 105 Cb 0.63 -1.09 -0.01 0.00 1.12 0.00 0.00 29.99 30.64 2dmi n HIS 105 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 2dmi h TYR 106 N 0.01 0.00 0.55 4.41 -0.00 -1.93 -3.32 116.97 116.70 2dmi h TYR 106 Ca -0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.25 2dmi h TYR 106 Cb 2.07 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 38.81 2dmi h TYR 106 CO 0.02 0.63 -0.27 1.96 -0.00 0.00 0.00 178.16 180.50 2dmi h GLN 107 N 0.00 -0.72 -1.13 0.10 4.20 -1.83 -3.14 115.11 112.60 2dmi h GLN 107 Ca -0.01 0.05 0.36 0.00 0.06 0.00 0.00 58.65 59.10 2dmi h GLN 107 Cb 1.49 0.16 -0.13 0.00 0.30 0.00 0.00 27.48 29.30 2dmi h GLN 107 CO 0.08 -0.43 0.69 1.57 -0.67 0.00 0.00 178.83 180.07 2dmi h LYS 108 N -1.13 0.23 -0.93 1.46 5.09 -1.70 0.54 116.57 120.13 2dmi h LYS 108 Ca -0.08 -0.01 0.21 0.00 0.09 0.00 0.00 60.65 60.86 2dmi h LYS 108 Cb 0.61 -0.05 -0.17 0.00 0.10 0.00 0.00 32.23 32.72 2dmi h LYS 108 CO 0.12 0.15 -0.15 0.28 -2.09 0.00 0.00 179.45 177.77 2dmi h VAL 109 N 0.24 0.08 -2.34 0.07 2.07 -1.64 -3.41 116.25 111.32 2dmi h VAL 109 Ca 0.74 -0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.99 2dmi h VAL 109 Cb 2.00 0.07 0.16 0.00 -1.52 0.00 0.00 31.29 31.99 2dmi h VAL 109 CO -0.48 0.00 -0.18 -1.20 0.02 0.00 0.00 177.57 175.74 2dmi n SER 110 N -5.54 -3.44 -4.61 0.57 7.64 0.18 -4.84 113.62 103.57 2dmi n SER 110 Ca 0.16 -0.57 -0.43 0.00 1.01 0.00 0.00 58.87 59.04 2dmi n SER 110 Cb 0.54 -0.86 -0.03 0.00 -1.01 0.00 0.00 64.21 62.85 2dmi n SER 110 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dmi s GLY 111 N -2.40 1.49 1.24 0.23 0.00 -1.26 -4.98 107.32 101.64 2dmi s GLY 111 Ca 0.47 -0.32 -0.21 0.00 0.00 0.00 0.00 44.72 44.67 2dmi s GLY 111 CO 0.41 2.22 1.12 2.56 0.00 0.00 0.00 173.10 179.40 2dmi s PRO 112 N 3.82 -1.56 -0.30 2.90 0.04 -1.26 -5.09 135.00 133.55 2dmi s PRO 112 Ca 0.43 -0.19 -0.11 0.00 0.04 0.00 0.00 61.00 61.17 2dmi s PRO 112 Cb -0.11 -1.57 0.13 0.00 0.04 0.00 0.00 34.50 32.99 2dmi s PRO 112 CO 0.21 -3.91 0.66 -1.12 0.04 0.00 0.00 177.00 172.89 2dmi s SER 113 N -4.00 -1.11 0.30 6.66 0.01 -1.26 -5.17 113.70 109.12 2dmi s SER 113 Ca 0.72 1.55 0.05 0.00 1.31 0.00 0.00 55.95 59.58 2dmi s SER 113 Cb -0.08 2.20 -0.03 0.00 0.21 0.00 0.00 66.02 68.32 2dmi s SER 113 CO 0.56 -0.22 0.22 -0.55 0.41 0.00 0.00 173.24 173.66 2dmi s SER 114 N 2.76 1.31 0.00 2.44 0.15 -1.26 -5.32 113.70 113.78 2dmi s SER 114 Ca -0.06 -1.64 0.00 0.00 0.70 0.00 0.00 55.95 54.94 2dmi s SER 114 Cb -0.11 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2dmi s SER 114 CO -0.19 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 173.88