#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 -0.38 0.03 1.61 0.01 -1.26 -5.18 113.70 108.54 2dmi s SER 2 Ca 0.00 0.29 -0.28 0.00 1.31 0.00 0.00 55.95 57.27 2dmi s SER 2 Cb 0.00 0.42 0.10 0.00 0.21 0.00 0.00 66.02 66.75 2dmi s SER 2 CO 0.00 -0.56 1.20 -0.55 0.41 0.00 0.00 173.24 173.75 2dmi s SER 3 N -1.44 -0.06 0.00 2.44 0.15 -1.26 -5.18 113.70 108.34 2dmi s SER 3 Ca -0.11 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2dmi s SER 3 Cb -0.02 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2dmi s SER 3 CO 0.05 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2dmi n GLY 4 N -0.56 2.47 3.27 9.45 0.00 -1.26 -5.18 105.19 113.38 2dmi n GLY 4 Ca -0.06 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2dmi n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmi s SER 5 N 0.00 -0.23 0.06 1.61 0.01 -1.26 -5.09 113.70 108.81 2dmi s SER 5 Ca 0.00 0.08 -0.01 0.00 1.31 0.00 0.00 55.95 57.33 2dmi s SER 5 Cb 0.00 0.35 -0.00 0.00 0.21 0.00 0.00 66.02 66.58 2dmi s SER 5 CO 0.00 -0.52 -0.02 -1.20 0.41 0.00 0.00 173.24 171.91 2dmi n SER 6 N 1.03 0.95 -0.60 2.44 7.64 -1.26 -5.15 113.62 118.67 2dmi n SER 6 Ca -0.20 0.13 0.01 0.00 1.01 0.00 0.00 58.87 59.81 2dmi n SER 6 Cb 0.57 -0.30 -0.01 0.00 -1.01 0.00 0.00 64.21 63.46 2dmi n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmi n GLY 7 N 3.26 -3.22 3.23 0.23 0.00 -1.26 -5.07 105.19 102.36 2dmi n GLY 7 Ca -0.02 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 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 -4.34 1.18 -0.12 1.61 -0.14 -1.26 -5.16 119.74 111.51 2dmi s LYS 8 Ca 0.00 -1.56 0.02 0.00 -1.36 0.00 0.00 55.97 53.07 2dmi s LYS 8 Cb 0.00 0.28 -0.01 0.00 -1.68 0.00 0.00 37.83 36.43 2dmi s LYS 8 CO 0.00 -0.39 -0.18 -1.17 -0.76 0.00 0.00 175.35 172.85 2dmi s LEU 9 N -3.13 2.45 0.68 3.17 2.96 -1.26 -5.12 118.68 118.42 2dmi s LEU 9 Ca 0.35 -0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 53.72 2dmi s LEU 9 Cb 0.06 -1.52 -0.00 0.00 0.50 0.00 0.00 46.19 45.23 2dmi s LEU 9 CO 0.10 0.16 1.07 -0.72 -1.32 0.00 0.00 176.35 175.64 2dmi s TYR 10 N 0.35 3.41 0.03 5.38 -0.85 -1.26 -4.85 117.35 119.56 2dmi s TYR 10 Ca -0.14 1.10 0.00 0.00 -0.52 0.00 0.00 57.07 57.50 2dmi s TYR 10 Cb -0.17 -2.96 0.00 0.00 0.38 0.00 0.00 41.96 39.21 2dmi s TYR 10 CO 0.07 -1.03 0.00 0.41 -1.52 0.00 0.00 175.55 173.48 2dmi n GLY 11 N -2.92 -4.09 3.22 5.49 0.00 -1.26 -4.93 105.19 100.71 2dmi n GLY 11 Ca 0.07 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 2dmi n GLY 11 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmi s SER 12 N -0.22 6.47 -0.17 1.61 1.04 -1.26 -5.04 113.70 116.13 2dmi s SER 12 Ca 0.00 -3.38 -0.08 0.00 0.48 0.00 0.00 55.95 52.97 2dmi s SER 12 Cb 0.00 -2.06 -0.04 0.00 0.10 0.00 0.00 66.02 64.02 2dmi s SER 12 CO 0.00 -0.31 0.10 0.27 0.98 0.00 0.00 173.24 174.28 2dmi s ILE 13 N -0.87 5.15 -0.62 -1.02 -4.36 -1.26 -5.00 121.20 113.22 2dmi s ILE 13 Ca 0.25 0.09 -0.00 0.00 -0.26 0.00 0.00 60.65 60.73 2dmi s ILE 13 Cb -0.10 -3.31 0.44 0.00 1.25 0.00 0.00 42.46 40.73 2dmi s ILE 13 CO -0.09 0.49 1.85 0.49 0.24 0.00 0.00 174.94 177.92 2dmi n PHE 14 N 3.13 3.12 -0.11 1.37 3.72 -1.26 -4.29 117.46 123.13 2dmi n PHE 14 Ca -0.17 -2.79 0.00 0.00 -0.05 0.00 0.00 57.45 54.43 2dmi n PHE 14 Cb 0.53 -1.16 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 2dmi n PHE 14 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2dmi n THR 15 N -0.81 0.00 0.00 4.37 5.66 -1.26 -4.98 114.28 117.25 2dmi n THR 15 Ca 0.57 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 2dmi n THR 15 Cb 0.66 1.11 0.00 0.00 -1.55 0.00 0.00 70.33 70.55 2dmi n THR 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dmi n GLY 16 N 0.18 -0.67 3.18 1.09 0.00 -1.26 -4.96 105.19 102.75 2dmi n GLY 16 Ca 0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 2dmi n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmi n ALA 17 N -3.00 -3.00 -3.66 4.61 0.00 -1.26 -5.05 120.51 109.15 2dmi n ALA 17 Ca 0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 53.44 52.07 2dmi n ALA 17 Cb 0.00 -1.32 -0.08 0.00 0.00 0.00 0.00 19.45 18.05 2dmi n ALA 17 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dmi s SER 18 N -2.12 -0.63 -0.03 0.00 1.04 -1.26 -4.91 113.70 105.80 2dmi s SER 18 Ca 0.51 1.21 -0.06 0.00 0.48 0.00 0.00 55.95 58.09 2dmi s SER 18 Cb -0.11 1.59 -0.04 0.00 0.10 0.00 0.00 66.02 67.56 2dmi s SER 18 CO 0.53 -0.22 0.41 0.11 0.98 0.00 0.00 173.24 175.04 2dmi h LYS 19 N 7.89 -0.22 -6.79 4.02 1.79 -1.73 -3.47 116.57 118.05 2dmi h LYS 19 Ca -0.20 0.02 -0.45 0.00 -2.18 0.00 0.00 60.65 57.83 2dmi h LYS 19 Cb 1.13 0.05 0.04 0.00 -1.58 0.00 0.00 32.23 31.86 2dmi h LYS 19 CO 0.14 -0.15 -0.04 -0.06 -1.08 0.00 0.00 179.45 178.26 2dmi s PHE 20 N -2.34 3.11 0.05 -1.35 0.40 -0.56 -4.99 117.98 112.29 2dmi s PHE 20 Ca -0.03 0.20 -0.17 0.00 -0.60 0.00 0.00 56.93 56.33 2dmi s PHE 20 Cb 0.00 -2.51 0.03 0.00 0.51 0.00 0.00 43.02 41.06 2dmi s PHE 20 CO 0.10 -0.59 0.39 1.03 0.70 0.00 0.00 175.22 176.86 2dmi s ARG 21 N -4.68 0.90 -0.15 0.44 0.52 -1.26 -2.51 118.95 112.21 2dmi s ARG 21 Ca 0.52 -0.41 -0.08 0.00 -0.52 0.00 0.00 55.73 55.25 2dmi s ARG 21 Cb -0.10 0.40 -0.04 0.00 0.52 0.00 0.00 34.95 35.73 2dmi s ARG 21 CO 0.39 -0.31 0.12 0.00 0.02 0.00 0.00 175.30 175.52 2dmi h LYS 23 N 5.71 -0.33 -0.02 0.00 3.11 -1.88 -3.38 116.57 119.77 2dmi h LYS 23 Ca -0.49 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 2dmi h LYS 23 Cb 1.20 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 32.50 2dmi h LYS 23 CO 0.65 -0.22 -0.03 -0.44 -2.81 0.00 0.00 179.45 176.60 2dmi h ASP 24 N -0.76 -0.09 -5.30 4.20 5.19 -1.95 -3.43 116.42 114.28 2dmi h ASP 24 Ca -0.03 0.01 -0.37 0.00 -0.62 0.00 0.00 57.03 56.02 2dmi h ASP 24 Cb 0.26 0.04 0.06 0.00 0.18 0.00 0.00 39.33 39.87 2dmi h ASP 24 CO 0.06 -0.02 0.06 0.00 -3.12 0.00 0.00 179.24 176.21 2dmi n SER 26 N -2.81 6.36 -4.36 0.00 2.88 -1.26 -4.42 113.62 110.00 2dmi n SER 26 Ca 0.13 -3.78 -0.39 0.00 -1.33 0.00 0.00 58.87 53.50 2dmi n SER 26 Cb 0.47 -0.71 -0.12 0.00 -0.75 0.00 0.00 64.21 63.10 2dmi n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dmi s ALA 27 N -3.76 3.19 0.25 -1.46 0.00 -1.26 -4.96 121.76 113.77 2dmi s ALA 27 Ca 0.56 -1.63 0.05 0.00 0.00 0.00 0.00 51.96 50.94 2dmi s ALA 27 Cb 0.45 -2.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 2dmi s ALA 27 CO -0.09 -1.23 0.38 0.00 0.00 0.00 0.00 175.76 174.82 2dmi s ALA 28 N 1.52 3.97 0.04 0.00 0.00 -1.26 -2.71 121.76 123.31 2dmi s ALA 28 Ca 0.02 -1.26 -0.03 0.00 0.00 0.00 0.00 51.96 50.69 2dmi s ALA 28 Cb -0.19 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 2dmi s ALA 28 CO 0.05 0.20 0.04 0.71 0.00 0.00 0.00 175.76 176.76 2dmi s TYR 29 N -2.01 0.30 0.02 0.00 2.02 -1.05 -4.98 117.35 111.66 2dmi s TYR 29 Ca 0.35 -0.67 -0.22 0.00 -0.37 0.00 0.00 57.07 56.16 2dmi s TYR 29 Cb -0.09 -0.22 -0.16 0.00 -0.40 0.00 0.00 41.96 41.09 2dmi s TYR 29 CO 0.29 -0.34 1.36 0.22 -1.57 0.00 0.00 175.55 175.51 2dmi h ASP 30 N 3.70 0.22 -2.83 2.29 1.82 -1.91 -1.47 116.42 118.24 2dmi h ASP 30 Ca -0.33 -0.44 -0.61 0.00 -0.39 0.00 0.00 57.03 55.27 2dmi h ASP 30 Cb 1.18 -0.06 -0.13 0.00 0.68 0.00 0.00 39.33 41.00 2dmi h ASP 30 CO 0.53 0.61 -0.70 0.42 -1.61 0.00 0.00 179.24 178.49 2dmi s THR 31 N -4.47 3.32 0.09 2.25 -4.23 -1.26 -4.29 115.64 107.05 2dmi s THR 31 Ca -0.15 -1.67 -0.21 0.00 -1.18 0.00 0.00 61.69 58.49 2dmi s THR 31 Cb 0.04 -2.67 -0.10 0.00 1.34 0.00 0.00 72.50 71.10 2dmi s THR 31 CO 0.72 -0.16 1.63 0.25 -0.54 0.00 0.00 174.62 176.52 2dmi h LEU 32 N 2.69 0.21 -1.27 4.79 5.85 -1.99 -2.71 115.31 122.87 2dmi h LEU 32 Ca -0.46 -0.15 0.39 0.00 0.84 0.00 0.00 57.88 58.50 2dmi h LEU 32 Cb 1.21 -0.05 -0.13 0.00 0.37 0.00 0.00 40.66 42.05 2dmi h LEU 32 CO 0.56 0.31 0.74 -0.37 -0.34 0.00 0.00 178.44 179.33 2dmi h VAL 33 N 0.10 0.19 -0.20 1.05 -1.51 -1.99 1.16 116.25 115.06 2dmi h VAL 33 Ca 0.05 -0.05 -0.18 0.00 -1.23 0.00 0.00 66.70 65.29 2dmi h VAL 33 Cb 0.16 0.02 -0.00 0.00 -2.13 0.00 0.00 31.29 29.33 2dmi h VAL 33 CO -0.00 0.03 -0.60 -0.33 -1.23 0.00 0.00 177.57 175.43 2dmi h GLU 34 N 0.16 0.65 0.16 5.19 4.39 -1.91 -3.11 114.58 120.11 2dmi h GLU 34 Ca 0.78 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 2dmi h GLU 34 Cb 2.24 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.95 2dmi h GLU 34 CO -0.48 1.06 -0.07 1.25 -1.16 0.00 0.00 179.01 179.60 2dmi h LEU 35 N 0.49 -0.18 -0.21 1.33 5.85 0.12 -3.29 115.31 119.43 2dmi h LEU 35 Ca -0.00 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.39 2dmi h LEU 35 Cb 1.18 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 2dmi h LEU 35 CO 0.12 0.39 -0.16 0.71 -0.34 0.00 0.00 178.44 179.16 2dmi h THR 36 N -0.90 0.00 -0.88 1.05 1.35 -0.48 0.28 112.91 113.34 2dmi h THR 36 Ca -0.02 0.00 0.30 0.00 -0.55 0.00 0.00 66.41 66.14 2dmi h THR 36 Cb 0.51 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 66.77 2dmi h THR 36 CO 0.04 0.00 0.23 0.55 -0.25 0.00 0.00 175.52 176.08 2dmi n VAL 37 N -3.54 -0.37 -0.04 6.82 3.14 -1.18 0.10 118.33 123.26 2dmi n VAL 37 Ca -0.00 1.86 -0.13 0.00 -2.96 0.00 0.00 64.34 63.11 2dmi n VAL 37 Cb 0.08 -2.85 -0.08 0.00 -1.06 0.00 0.00 33.84 29.93 2dmi n VAL 37 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 2dmi h HIS 38 N 0.00 0.32 -0.95 1.45 -0.00 -0.73 0.19 115.15 115.43 2dmi h HIS 38 Ca 0.63 -0.10 0.20 0.00 -0.00 0.00 0.00 60.37 61.10 2dmi h HIS 38 Cb 1.50 -0.06 -0.11 0.00 -0.00 0.00 0.00 27.41 28.73 2dmi h HIS 38 CO -0.24 0.70 0.53 0.52 -0.00 0.00 0.00 177.93 179.44 2dmi h MET 39 N -0.16 0.61 0.15 5.26 2.86 0.39 0.24 114.93 124.27 2dmi h MET 39 Ca 0.01 -0.04 -0.25 0.00 -2.06 0.00 0.00 59.70 57.37 2dmi h MET 39 Cb 0.66 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.20 2dmi h MET 39 CO 0.03 0.40 -1.19 -0.91 1.06 0.00 0.00 176.91 176.30 2dmi h ASN 40 N 0.63 0.49 -0.75 1.22 2.35 -1.16 0.53 115.58 118.87 2dmi h ASN 40 Ca 0.56 -0.91 0.15 0.00 -0.55 0.00 0.00 56.30 55.56 2dmi h ASN 40 Cb 0.94 -0.16 -0.10 0.00 0.05 0.00 0.00 38.32 39.05 2dmi h ASN 40 CO -0.43 1.54 0.27 -0.33 -1.65 0.00 0.00 177.43 176.84 2dmi h GLU 41 N -0.26 0.38 0.00 0.81 4.39 0.16 -3.21 114.58 116.86 2dmi h GLU 41 Ca -0.23 -0.02 -0.43 0.00 0.34 0.00 0.00 59.36 59.01 2dmi h GLU 41 Cb 1.78 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 30.28 2dmi h GLU 41 CO 0.13 0.25 -2.42 0.25 -1.16 0.00 0.00 179.01 176.06 2dmi n THR 42 N -5.05 1.53 0.00 1.13 -2.24 0.00 -5.05 114.28 104.60 2dmi n THR 42 Ca 0.15 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2dmi n THR 42 Cb 0.44 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 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 1.50 3.57 2.84 3.38 0.00 0.18 -5.08 105.19 111.57 2dmi n GLY 43 Ca -0.51 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 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 -4.08 -4.37 1.61 8.25 -0.78 -4.68 115.22 111.17 2dmi n HIS 44 Ca 0.00 0.12 -0.19 0.00 -0.26 0.00 0.00 57.72 57.40 2dmi n HIS 44 Cb 0.00 -1.40 -0.10 0.00 1.12 0.00 0.00 29.99 29.61 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 -1.84 1.69 0.57 4.41 2.02 -1.26 -4.23 117.35 118.71 2dmi s TYR 45 Ca 0.42 -1.11 -0.20 0.00 -0.37 0.00 0.00 57.07 55.80 2dmi s TYR 45 Cb -0.27 -1.04 -0.05 0.00 -0.40 0.00 0.00 41.96 40.21 2dmi s TYR 45 CO 0.71 -0.22 1.18 -2.13 -1.57 0.00 0.00 175.55 173.51 2dmi n ARG 46 N -0.56 1.30 -0.08 -0.62 3.00 -1.26 -3.77 116.66 114.67 2dmi n ARG 46 Ca -0.01 0.49 -0.15 0.00 -0.00 0.00 0.00 57.85 58.18 2dmi n ARG 46 Cb 0.66 -2.37 -0.10 0.00 0.00 0.00 0.00 32.46 30.65 2dmi n ARG 46 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2dmi h ASP 47 N 0.98 0.00 -1.49 6.15 3.58 -1.90 -3.45 116.42 120.29 2dmi h ASP 47 Ca -0.49 -0.57 -0.74 0.00 0.42 0.00 0.00 57.03 55.65 2dmi h ASP 47 Cb 1.33 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.42 2dmi h ASP 47 CO 0.54 1.15 0.65 0.47 -2.88 0.00 0.00 179.24 179.17 2dmi n ASP 48 N -4.55 1.79 -0.24 2.28 8.00 -1.26 -4.85 116.55 117.73 2dmi n ASP 48 Ca -0.19 1.11 -0.08 0.00 0.71 0.00 0.00 54.79 56.34 2dmi n ASP 48 Cb 0.50 -1.11 0.04 0.00 -0.02 0.00 0.00 41.12 40.53 2dmi n ASP 48 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2dmi h ASN 49 N 5.67 1.07 -1.13 -2.24 7.08 -2.04 -2.68 115.58 121.31 2dmi h ASN 49 Ca -0.47 -0.27 0.32 0.00 -3.08 0.00 0.00 56.30 52.80 2dmi h ASN 49 Cb 1.34 -0.28 -0.07 0.00 -2.08 0.00 0.00 38.32 37.23 2dmi h ASN 49 CO 0.87 1.06 0.77 0.45 -2.08 0.00 0.00 177.43 178.51 2dmi h HIS 50 N 1.03 0.29 -3.77 4.14 3.86 -2.00 -3.35 115.15 115.35 2dmi h HIS 50 Ca 0.20 0.01 -0.66 0.00 -1.16 0.00 0.00 60.37 58.76 2dmi h HIS 50 Cb 0.46 -0.08 -0.19 0.00 1.06 0.00 0.00 27.41 28.66 2dmi h HIS 50 CO 0.03 0.01 -0.51 -2.00 0.86 0.00 0.00 177.93 176.32 2dmi s GLU 51 N -5.18 3.66 -0.02 2.45 2.56 -1.01 -5.07 118.70 116.10 2dmi s GLU 51 Ca -0.07 -0.52 -0.03 0.00 0.00 0.00 0.00 54.97 54.36 2dmi s GLU 51 Cb 0.24 -3.69 0.00 0.00 2.00 0.00 0.00 34.13 32.69 2dmi s GLU 51 CO 0.80 -0.32 0.07 0.95 -0.56 0.00 0.00 175.26 176.20 2dmi s THR 52 N 1.72 0.03 -0.13 -1.70 -4.23 -1.26 -4.78 115.64 105.29 2dmi s THR 52 Ca 0.06 -0.25 0.18 0.00 -1.18 0.00 0.00 61.69 60.50 2dmi s THR 52 Cb -0.17 -0.18 -0.24 0.00 1.34 0.00 0.00 72.50 73.25 2dmi s THR 52 CO 0.10 -0.14 0.40 -0.67 -0.54 0.00 0.00 174.62 173.77 2dmi n ASP 53 N 2.58 0.30 -4.77 3.99 -0.08 -1.26 -4.95 116.55 112.35 2dmi n ASP 53 Ca -0.16 0.13 -0.40 0.00 -1.51 0.00 0.00 54.79 52.86 2dmi n ASP 53 Cb 0.58 0.90 0.00 0.00 2.34 0.00 0.00 41.12 44.94 2dmi n ASP 53 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2dmi s ASN 54 N -5.42 6.17 0.19 1.67 0.01 -1.26 -4.92 114.94 111.38 2dmi s ASN 54 Ca -0.07 2.87 0.07 0.00 -0.71 0.00 0.00 52.86 55.02 2dmi s ASN 54 Cb 0.09 -2.65 0.06 0.00 0.41 0.00 0.00 41.25 39.15 2dmi s ASN 54 CO 0.84 -0.97 1.43 -1.13 -1.51 0.00 0.00 177.10 175.76 2dmi h ASN 55 N 2.66 0.09 -3.47 -1.22 -1.24 -2.04 -3.40 115.58 106.96 2dmi h ASN 55 Ca -0.50 -0.07 -0.74 0.00 0.71 0.00 0.00 56.30 55.69 2dmi h ASN 55 Cb 1.25 -0.03 -0.28 0.00 0.73 0.00 0.00 38.32 39.99 2dmi h ASN 55 CO 0.63 0.87 -0.24 0.21 -1.29 0.00 0.00 177.43 177.61 2dmi s ASN 56 N -6.83 6.00 0.32 1.15 3.84 -1.26 -4.91 114.94 113.24 2dmi s ASN 56 Ca -0.01 -2.18 0.11 0.00 0.21 0.00 0.00 52.86 50.99 2dmi s ASN 56 Cb 0.11 -2.08 0.53 0.00 -0.55 0.00 0.00 41.25 39.26 2dmi s ASN 56 CO 0.80 -0.67 1.72 1.55 -2.79 0.00 0.00 177.10 177.71 2dmi h PRO 57 N 8.23 0.02 -6.24 0.43 0.13 -2.01 -3.42 132.00 129.13 2dmi h PRO 57 Ca -0.14 -0.01 -0.56 0.00 -0.87 0.00 0.00 66.00 64.42 2dmi h PRO 57 Cb 1.06 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 2dmi h PRO 57 CO 0.86 0.50 1.28 -1.59 -0.23 0.00 0.00 178.00 178.82 2dmi s LYS 58 N -3.92 3.25 1.03 0.86 -2.85 -1.26 -4.97 119.74 111.87 2dmi s LYS 58 Ca -0.02 1.29 -0.15 0.00 -1.00 0.00 0.00 55.97 56.08 2dmi s LYS 58 Cb 0.14 -4.21 0.14 0.00 -2.06 0.00 0.00 37.83 31.83 2dmi s LYS 58 CO 0.75 -1.97 0.15 -2.13 0.10 0.00 0.00 175.35 172.25 2dmi n ARG 59 N 8.51 -2.01 -0.56 1.78 0.63 -1.26 -4.91 116.66 118.83 2dmi n ARG 59 Ca 0.22 -0.59 -0.16 0.00 -0.92 0.00 0.00 57.85 56.40 2dmi n ARG 59 Cb 0.48 -1.49 0.13 0.00 0.45 0.00 0.00 32.46 32.02 2dmi n ARG 59 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 2dmi n TRP 60 N -4.35 -2.21 -1.98 -0.14 7.02 -1.26 -4.90 117.44 109.62 2dmi n TRP 60 Ca 0.04 0.08 -0.34 0.00 -1.02 0.00 0.00 57.50 56.26 2dmi n TRP 60 Cb 0.43 -1.38 0.03 0.00 -2.42 0.00 0.00 31.31 27.96 2dmi n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2dmi s SER 61 N -1.85 5.37 1.00 -0.99 1.04 -1.26 -4.97 113.70 112.04 2dmi s SER 61 Ca 0.32 2.09 -0.18 0.00 0.48 0.00 0.00 55.95 58.67 2dmi s SER 61 Cb -0.05 -2.57 -0.07 0.00 0.10 0.00 0.00 66.02 63.44 2dmi s SER 61 CO 0.31 -1.46 -0.45 0.29 0.98 0.00 0.00 173.24 172.91 2dmi n LYS 62 N -1.91 -0.30 -1.10 4.02 4.01 -1.26 -4.95 118.16 116.67 2dmi n LYS 62 Ca 0.11 -0.07 -0.30 0.00 -0.51 0.00 0.00 58.31 57.54 2dmi n LYS 62 Cb 0.51 -1.35 0.23 0.00 -0.51 0.00 0.00 35.03 33.91 2dmi n LYS 62 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2dmi s PRO 63 N -2.69 -0.88 -0.26 1.97 0.04 -1.26 -4.96 135.00 126.95 2dmi s PRO 63 Ca 0.47 0.05 0.13 0.00 0.04 0.00 0.00 61.00 61.69 2dmi s PRO 63 Cb -0.14 -1.62 0.74 0.00 0.04 0.00 0.00 34.50 33.52 2dmi s PRO 63 CO 0.73 -3.51 1.71 -2.13 0.04 0.00 0.00 177.00 173.84 2dmi n ARG 64 N -4.64 4.07 -2.87 4.56 0.63 -1.26 -4.97 116.66 112.18 2dmi n ARG 64 Ca 0.11 -3.10 -0.21 0.00 -0.92 0.00 0.00 57.85 53.74 2dmi n ARG 64 Cb 0.59 -2.17 0.07 0.00 0.45 0.00 0.00 32.46 31.40 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 -2.88 2.18 0.07 -0.14 -0.14 -1.26 -5.00 119.74 112.56 2dmi s LYS 65 Ca 0.53 -1.39 -0.24 0.00 -1.36 0.00 0.00 55.97 53.51 2dmi s LYS 65 Cb 0.41 -2.55 -0.13 0.00 -1.68 0.00 0.00 37.83 33.88 2dmi s LYS 65 CO 0.13 -0.97 0.56 0.54 -0.76 0.00 0.00 175.35 174.84 2dmi n ARG 66 N -2.39 0.00 -2.90 1.68 1.74 -1.26 -4.90 116.66 108.62 2dmi n ARG 66 Ca 0.14 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.23 2dmi n ARG 66 Cb 0.61 -0.87 0.01 0.00 -1.02 0.00 0.00 32.46 31.19 2dmi n ARG 66 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2dmi n SER 67 N 1.20 -0.66 -2.08 0.55 7.64 -1.26 -4.97 113.62 114.04 2dmi n SER 67 Ca 0.13 -1.18 -0.02 0.00 1.01 0.00 0.00 58.87 58.80 2dmi n SER 67 Cb 0.11 1.03 -0.00 0.00 -1.01 0.00 0.00 64.21 64.34 2dmi n SER 67 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2dmi n LEU 68 N 0.00 -0.20 0.00 -3.43 4.32 -1.26 -4.85 117.00 111.57 2dmi n LEU 68 Ca 0.02 0.33 -0.17 0.00 -0.02 0.00 0.00 56.01 56.17 2dmi n LEU 68 Cb 0.30 -1.09 0.17 0.00 -1.62 0.00 0.00 43.42 41.18 2dmi n LEU 68 CO 0.08 -0.05 0.19 0.18 -1.22 0.00 0.00 177.39 176.57 2dmi n LEU 69 N -2.15 0.00 -4.51 2.23 7.99 -1.26 -4.89 117.00 114.40 2dmi n LEU 69 Ca -0.03 -0.49 -0.43 0.00 -0.01 0.00 0.00 56.01 55.06 2dmi n LEU 69 Cb 0.39 -0.78 -0.08 0.00 -0.11 0.00 0.00 43.42 42.85 2dmi n LEU 69 CO 0.03 -2.48 0.26 -0.70 -1.51 0.00 0.00 177.39 172.99 2dmi s GLU 70 N -3.71 3.25 0.38 3.23 2.56 -1.26 -5.04 118.70 118.11 2dmi s GLU 70 Ca 0.37 -0.50 0.04 0.00 0.00 0.00 0.00 54.97 54.89 2dmi s GLU 70 Cb -0.07 -3.94 -0.03 0.00 2.00 0.00 0.00 34.13 32.09 2dmi s GLU 70 CO 0.31 -0.91 0.15 -1.64 -0.56 0.00 0.00 175.26 172.61 2dmi s MET 71 N 2.51 1.86 -0.52 4.30 -1.94 -1.26 -5.11 119.30 119.13 2dmi s MET 71 Ca 0.18 -2.11 -0.20 0.00 -1.71 0.00 0.00 55.69 51.84 2dmi s MET 71 Cb -0.15 -0.45 0.05 0.00 2.01 0.00 0.00 34.83 36.29 2dmi s MET 71 CO 0.16 -0.48 0.71 -1.21 -0.01 0.00 0.00 175.02 174.18 2dmi s GLU 72 N -3.70 3.17 0.00 2.03 8.01 -1.26 -4.94 118.70 122.01 2dmi s GLU 72 Ca 0.28 -0.73 0.00 0.00 0.01 0.00 0.00 54.97 54.52 2dmi s GLU 72 Cb 0.03 -4.09 0.00 0.00 -4.31 0.00 0.00 34.13 25.76 2dmi s GLU 72 CO 0.16 -1.29 0.00 0.41 0.01 0.00 0.00 175.26 174.55 2dmi n GLY 73 N 5.16 4.23 3.15 -1.39 0.00 -1.26 -5.16 105.19 109.92 2dmi n GLY 73 Ca -0.04 -0.38 0.06 0.00 0.00 0.00 0.00 46.02 45.65 2dmi n GLY 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dmi s LYS 74 N 4.71 0.14 -0.71 1.61 2.36 -1.26 -5.05 119.74 121.53 2dmi s LYS 74 Ca 0.00 0.19 -0.00 0.00 -2.55 0.00 0.00 55.97 53.60 2dmi s LYS 74 Cb 0.00 0.10 0.39 0.00 -1.05 0.00 0.00 37.83 37.27 2dmi s LYS 74 CO 0.00 -0.20 1.84 -0.85 1.55 0.00 0.00 175.35 177.69 2dmi n GLU 75 N 5.29 2.89 -2.14 4.03 0.00 -1.26 -4.52 120.64 124.94 2dmi n GLU 75 Ca 0.01 -3.66 -0.07 0.00 0.00 0.00 0.00 57.16 53.44 2dmi n GLU 75 Cb 0.56 -2.27 0.05 0.00 0.00 0.00 0.00 31.44 29.78 2dmi n GLU 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2dmi n ASP 76 N -0.62 2.62 -2.19 -1.84 9.92 -1.26 -4.83 116.55 118.34 2dmi n ASP 76 Ca 0.53 -2.80 -0.27 0.00 -0.53 0.00 0.00 54.79 51.73 2dmi n ASP 76 Cb 0.43 -0.41 0.03 0.00 -0.64 0.00 0.00 41.12 40.53 2dmi n ASP 76 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dmi n ALA 77 N -0.54 5.29 -2.53 2.24 0.00 -1.26 -4.69 120.51 119.01 2dmi n ALA 77 Ca 0.20 -3.86 -0.12 0.00 0.00 0.00 0.00 53.44 49.67 2dmi n ALA 77 Cb 0.89 -0.65 0.03 0.00 0.00 0.00 0.00 19.45 19.73 2dmi n ALA 77 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2dmi n GLN 78 N -0.69 2.35 0.07 0.00 7.27 -1.26 -4.86 117.38 120.25 2dmi n GLN 78 Ca 0.46 -3.77 0.00 0.00 0.07 0.00 0.00 57.00 53.76 2dmi n GLN 78 Cb 0.84 -1.80 0.00 0.00 2.41 0.00 0.00 30.24 31.69 2dmi n GLN 78 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2dmi n LYS 79 N -0.50 0.00 -3.60 3.69 4.81 -1.26 -5.13 118.16 116.17 2dmi n LYS 79 Ca 0.22 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.50 2dmi n LYS 79 Cb 0.83 -0.23 -0.07 0.00 0.02 0.00 0.00 35.03 35.58 2dmi n LYS 79 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2dmi s VAL 80 N -1.78 0.00 -0.80 3.15 0.11 -1.26 -5.09 120.40 114.73 2dmi s VAL 80 Ca 0.00 -0.01 -0.35 0.00 -2.93 0.00 0.00 61.98 58.69 2dmi s VAL 80 Cb 0.00 -0.98 -0.20 0.00 -1.53 0.00 0.00 36.38 33.67 2dmi s VAL 80 CO 0.00 -0.01 2.49 0.18 -3.33 0.00 0.00 175.10 174.44 2dmi n LEU 81 N 2.00 0.56 -4.18 2.54 4.77 -1.26 -4.87 117.00 116.56 2dmi n LEU 81 Ca -0.16 0.33 -0.16 0.00 -0.03 0.00 0.00 56.01 55.99 2dmi n LEU 81 Cb 0.56 -0.95 -0.11 0.00 -2.33 0.00 0.00 43.42 40.59 2dmi n LEU 81 CO 0.12 -0.76 -0.43 -0.75 -1.33 0.00 0.00 177.39 174.23 2dmi s LYS 82 N 7.91 0.87 0.32 3.23 2.20 -1.26 -1.55 119.74 131.46 2dmi s LYS 82 Ca 1.29 -1.13 -0.07 0.00 -0.36 0.00 0.00 55.97 55.70 2dmi s LYS 82 Cb -1.29 -0.64 -0.06 0.00 -1.51 0.00 0.00 37.83 34.34 2dmi s LYS 82 CO 0.54 0.11 0.62 0.00 -0.36 0.00 0.00 175.35 176.26 2dmi n MET 84 N -1.03 0.67 0.45 0.00 2.81 -1.26 -3.07 117.12 115.69 2dmi n MET 84 Ca -0.00 0.06 -0.18 0.00 -1.81 0.00 0.00 57.70 55.77 2dmi n MET 84 Cb 0.54 -1.53 -0.09 0.00 -0.71 0.00 0.00 33.22 31.43 2dmi n MET 84 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 2dmi h TYR 85 N 0.00 -1.07 0.00 2.03 5.03 -1.95 -3.40 116.97 117.61 2dmi h TYR 85 Ca -0.55 -0.03 -0.41 0.00 2.58 0.00 0.00 58.73 60.32 2dmi h TYR 85 Cb 2.11 0.35 -0.06 0.00 1.55 0.00 0.00 36.73 40.68 2dmi h TYR 85 CO 0.01 -0.66 -2.37 0.00 -1.32 0.00 0.00 178.16 173.83 2dmi n GLY 87 N 1.45 0.80 3.42 0.00 0.00 -1.17 -5.02 105.19 104.66 2dmi n GLY 87 Ca -0.48 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 2dmi n GLY 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2dmi s HIS 88 N -1.72 2.67 -0.25 1.61 5.04 -1.26 -4.82 115.29 116.57 2dmi s HIS 88 Ca 0.00 -0.36 -0.21 0.00 -1.54 0.00 0.00 55.06 52.95 2dmi s HIS 88 Cb 0.00 -1.67 -0.02 0.00 0.04 0.00 0.00 32.58 30.93 2dmi s HIS 88 CO 0.00 0.03 0.66 -1.54 -2.34 0.00 0.00 174.74 171.54 2dmi s SER 89 N -0.39 6.62 0.52 9.88 1.04 -1.26 -2.77 113.70 127.34 2dmi s SER 89 Ca 0.04 0.76 0.05 0.00 0.48 0.00 0.00 55.95 57.28 2dmi s SER 89 Cb -0.12 -2.35 0.02 0.00 0.10 0.00 0.00 66.02 63.66 2dmi s SER 89 CO 0.02 -0.39 0.31 -0.36 0.98 0.00 0.00 173.24 173.81 2dmi s PHE 90 N 2.52 1.82 -0.13 5.02 0.40 -0.59 -5.05 117.98 121.98 2dmi s PHE 90 Ca 0.27 -0.82 -0.05 0.00 -0.60 0.00 0.00 56.93 55.74 2dmi s PHE 90 Cb -0.15 -1.88 -0.06 0.00 0.51 0.00 0.00 43.02 41.43 2dmi s PHE 90 CO 0.08 -0.28 -0.16 -0.85 0.70 0.00 0.00 175.22 174.72 2dmi n GLU 91 N -1.62 0.28 -4.17 0.44 0.28 -1.26 -4.51 120.64 110.08 2dmi n GLU 91 Ca -0.04 0.11 -0.30 0.00 -0.16 0.00 0.00 57.16 56.77 2dmi n GLU 91 Cb 0.65 -1.01 -0.08 0.00 1.43 0.00 0.00 31.44 32.42 2dmi n GLU 91 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2dmi s SER 92 N -6.00 4.94 0.21 -1.84 0.15 -1.26 -4.92 113.70 105.00 2dmi s SER 92 Ca -0.18 -0.19 -0.09 0.00 0.70 0.00 0.00 55.95 56.20 2dmi s SER 92 Cb 0.06 -1.16 0.31 0.00 -1.71 0.00 0.00 66.02 63.52 2dmi s SER 92 CO 0.24 0.19 1.73 0.25 1.20 0.00 0.00 173.24 176.85 2dmi h LEU 93 N 3.58 0.16 -0.46 3.45 6.46 -1.99 -2.63 115.31 123.88 2dmi h LEU 93 Ca -0.48 0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.42 2dmi h LEU 93 Cb 1.17 0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 41.11 2dmi h LEU 93 CO 0.58 0.09 -0.49 -0.61 -0.62 0.00 0.00 178.44 177.39 2dmi h GLN 94 N 0.36 -0.27 -1.22 1.25 -0.00 -1.98 0.69 115.11 113.94 2dmi h GLN 94 Ca 0.33 0.02 0.35 0.00 -0.00 0.00 0.00 58.65 59.35 2dmi h GLN 94 Cb 0.44 0.06 -0.05 0.00 0.00 0.00 0.00 27.48 27.94 2dmi h GLN 94 CO -0.35 -0.18 1.03 -0.44 0.00 0.00 0.00 178.83 178.89 2dmi h ASP 95 N -0.28 0.00 0.00 -0.69 3.32 -1.89 0.28 116.42 117.16 2dmi h ASP 95 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2dmi h ASP 95 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2dmi h ASP 95 CO -0.58 0.00 -0.03 0.25 -1.72 0.00 0.00 179.24 177.15 2dmi h LEU 96 N 0.00 0.00 -1.80 1.55 7.12 0.31 -1.20 115.31 121.28 2dmi h LEU 96 Ca 0.58 0.00 0.20 0.00 0.13 0.00 0.00 57.88 58.79 2dmi h LEU 96 Cb 2.63 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 42.72 2dmi h LEU 96 CO -0.01 0.44 0.54 -1.28 -0.13 0.00 0.00 178.44 178.00 2dmi h SER 97 N -0.85 0.17 0.28 1.25 0.87 0.26 -0.31 113.55 115.22 2dmi h SER 97 Ca 0.00 0.01 -0.34 0.00 -1.23 0.00 0.00 61.79 60.24 2dmi h SER 97 Cb 0.03 -0.02 0.02 0.00 -0.44 0.00 0.00 62.40 62.00 2dmi h SER 97 CO 0.00 0.07 -1.56 1.62 -0.53 0.00 0.00 176.83 176.43 2dmi h VAL 98 N 0.17 1.18 0.59 2.23 3.04 -0.63 -3.24 116.25 119.59 2dmi h VAL 98 Ca 0.38 -2.67 -0.02 0.00 -1.01 0.00 0.00 66.70 63.38 2dmi h VAL 98 Cb 1.24 2.93 -0.01 0.00 -2.01 0.00 0.00 31.29 33.44 2dmi h VAL 98 CO -0.07 0.83 -0.43 -0.74 -1.01 0.00 0.00 177.57 176.16 2dmi h HIS 99 N 0.13 -1.15 0.02 3.17 -0.00 0.20 0.06 115.15 117.58 2dmi h HIS 99 Ca -0.28 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.10 2dmi h HIS 99 Cb 2.13 0.42 -0.03 0.00 -0.00 0.00 0.00 27.41 29.93 2dmi h HIS 99 CO 0.11 -0.62 -0.34 0.52 -0.00 0.00 0.00 177.93 177.60 2dmi h MET 100 N -0.98 -0.43 -1.01 5.26 2.86 -1.46 0.62 114.93 119.79 2dmi h MET 100 Ca -0.07 0.03 0.26 0.00 -2.06 0.00 0.00 59.70 57.86 2dmi h MET 100 Cb 0.82 0.10 -0.13 0.00 0.06 0.00 0.00 31.60 32.45 2dmi h MET 100 CO 0.03 -0.29 0.60 0.82 1.06 0.00 0.00 176.91 179.13 2dmi h ILE 101 N -0.45 0.50 -0.19 -1.22 2.04 -1.57 1.44 117.51 118.06 2dmi h ILE 101 Ca 0.00 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2dmi h ILE 101 Cb 0.47 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2dmi h ILE 101 CO -0.22 0.10 0.09 0.11 0.00 0.00 0.00 178.15 178.23 2dmi h LYS 102 N 0.54 0.28 -0.70 2.37 1.57 0.18 -2.86 116.57 117.95 2dmi h LYS 102 Ca 0.66 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 59.19 2dmi h LYS 102 Cb 1.31 -0.05 -0.12 0.00 0.08 0.00 0.00 32.23 33.45 2dmi h LYS 102 CO -0.48 0.33 0.23 0.25 -0.57 0.00 0.00 179.45 179.21 2dmi n THR 103 N -4.85 2.89 -3.69 -0.16 -2.24 0.21 -4.94 114.28 101.50 2dmi n THR 103 Ca -0.04 -1.69 -0.20 0.00 -2.27 0.00 0.00 64.05 59.84 2dmi n THR 103 Cb 0.11 -0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 67.92 2dmi n THR 103 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2dmi n LYS 104 N -0.18 -0.96 0.07 -0.78 4.81 0.47 -4.78 118.16 116.80 2dmi n LYS 104 Ca 0.39 0.06 -0.19 0.00 -0.87 0.00 0.00 58.31 57.70 2dmi n LYS 104 Cb 1.35 -2.34 -0.15 0.00 0.02 0.00 0.00 35.03 33.91 2dmi n LYS 104 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2dmi h HIS 105 N -0.83 0.57 -0.31 5.64 3.86 -1.54 -2.77 115.15 119.76 2dmi h HIS 105 Ca -0.43 -0.42 -0.14 0.00 -1.16 0.00 0.00 60.37 58.22 2dmi h HIS 105 Cb 0.92 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.36 2dmi h HIS 105 CO 0.34 1.51 -0.35 0.10 0.86 0.00 0.00 177.93 180.39 2dmi h TYR 106 N 0.09 0.96 -0.16 2.45 -0.00 -1.87 -3.18 116.97 115.26 2dmi h TYR 106 Ca -0.29 -0.30 -0.17 0.00 -0.00 0.00 0.00 58.73 57.97 2dmi h TYR 106 Cb 2.06 -0.20 -0.00 0.00 -0.00 0.00 0.00 36.73 38.58 2dmi h TYR 106 CO 0.08 1.08 -0.61 0.37 -0.00 0.00 0.00 178.16 179.08 2dmi h GLN 107 N 0.56 0.54 -1.94 0.10 4.15 -1.91 -3.17 115.11 113.45 2dmi h GLN 107 Ca 0.05 -0.37 -0.05 0.00 0.77 0.00 0.00 58.65 59.04 2dmi h GLN 107 Cb 0.94 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.66 2dmi h GLN 107 CO 0.09 0.99 0.04 1.63 -1.93 0.00 0.00 178.83 179.65 2dmi n LYS 108 N -3.93 1.15 -0.08 1.69 4.76 -1.05 -3.72 118.16 116.99 2dmi n LYS 108 Ca -0.04 -0.26 -0.11 0.00 -2.87 0.00 0.00 58.31 55.04 2dmi n LYS 108 Cb 0.64 -1.13 -0.08 0.00 -1.84 0.00 0.00 35.03 32.62 2dmi n LYS 108 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2dmi n VAL 109 N 1.38 0.97 -2.79 -0.18 0.24 -1.20 -4.95 118.33 111.80 2dmi n VAL 109 Ca 0.06 -0.41 -0.21 0.00 -2.04 0.00 0.00 64.34 61.73 2dmi n VAL 109 Cb 0.53 -1.01 0.07 0.00 -1.47 0.00 0.00 33.84 31.95 2dmi n VAL 109 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2dmi s SER 110 N -5.46 4.89 -0.09 -1.34 0.15 -1.24 -5.13 113.70 105.48 2dmi s SER 110 Ca -0.20 -0.47 -0.08 0.00 0.70 0.00 0.00 55.95 55.90 2dmi s SER 110 Cb 0.06 -0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.26 2dmi s SER 110 CO 0.43 -1.45 0.23 -0.83 1.20 0.00 0.00 173.24 172.82 2dmi s GLY 111 N -4.62 -0.17 0.23 9.45 0.00 -1.26 -5.11 107.32 105.84 2dmi s GLY 111 Ca 0.62 0.65 -0.04 0.00 0.00 0.00 0.00 44.72 45.95 2dmi s GLY 111 CO 0.40 0.56 0.20 -1.55 0.00 0.00 0.00 173.10 172.71 2dmi n PRO 112 N 2.94 -1.43 -4.22 2.90 -0.04 -1.26 -5.10 135.00 128.79 2dmi n PRO 112 Ca -0.13 -0.33 -0.15 0.00 -0.04 0.00 0.00 63.50 62.86 2dmi n PRO 112 Cb 0.58 -0.31 -0.09 0.00 -0.04 0.00 0.00 33.50 33.65 2dmi n PRO 112 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmi s SER 113 N -2.06 0.78 0.64 3.54 0.01 -1.26 -5.18 113.70 110.17 2dmi s SER 113 Ca 0.13 -1.52 0.05 0.00 1.31 0.00 0.00 55.95 55.92 2dmi s SER 113 Cb -0.01 0.47 0.11 0.00 0.21 0.00 0.00 66.02 66.80 2dmi s SER 113 CO 0.10 -0.96 0.88 -0.55 0.41 0.00 0.00 173.24 173.12 2dmi s SER 114 N -3.24 4.75 0.00 2.44 0.15 -1.26 -5.38 113.70 111.16 2dmi s SER 114 Ca 0.39 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2dmi s SER 114 Cb 0.04 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2dmi s SER 114 CO 0.19 -1.58 0.00 0.61 1.20 0.00 0.00 173.24 173.65