#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 4.20 0.00 1.61 0.15 -1.26 -4.87 113.70 113.53 2dmi s SER 2 Ca 0.00 -3.07 0.00 0.00 0.70 0.00 0.00 55.95 53.58 2dmi s SER 2 Cb 0.00 -1.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.82 2dmi s SER 2 CO 0.00 -0.21 0.00 -1.54 1.20 0.00 0.00 173.24 172.69 2dmi n SER 3 N 3.01 0.01 -0.11 5.45 3.41 -1.26 -5.15 113.62 118.98 2dmi n SER 3 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2dmi n SER 3 Cb 0.33 -0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.28 2dmi n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmi n GLY 4 N 2.91 -2.04 3.85 5.00 0.00 -1.26 -5.06 105.19 108.58 2dmi n GLY 4 Ca 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 46.02 44.57 2dmi n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmi s SER 5 N -3.70 -0.03 -0.05 1.61 0.15 -1.26 -5.16 113.70 105.27 2dmi s SER 5 Ca 0.00 -0.73 -0.15 0.00 0.70 0.00 0.00 55.95 55.77 2dmi s SER 5 Cb 0.00 0.58 -0.05 0.00 -1.71 0.00 0.00 66.02 64.83 2dmi s SER 5 CO 0.00 -1.13 0.41 -0.94 1.20 0.00 0.00 173.24 172.77 2dmi s SER 6 N -3.26 6.73 -0.02 5.45 1.04 -1.26 -5.06 113.70 117.33 2dmi s SER 6 Ca 0.19 0.87 -0.29 0.00 0.48 0.00 0.00 55.95 57.19 2dmi s SER 6 Cb -0.03 -2.25 -0.03 0.00 0.10 0.00 0.00 66.02 63.81 2dmi s SER 6 CO 0.06 0.22 0.94 -0.83 0.98 0.00 0.00 173.24 174.61 2dmi s GLY 7 N -0.48 2.83 -0.20 7.32 0.00 -1.26 -5.04 107.32 110.50 2dmi s GLY 7 Ca 0.23 0.47 -0.02 0.00 0.00 0.00 0.00 44.72 45.40 2dmi s GLY 7 CO 0.11 1.63 -0.10 1.25 0.00 0.00 0.00 173.10 175.99 2dmi s LYS 8 N 1.04 3.27 0.06 2.90 2.47 -1.26 -5.11 119.74 123.11 2dmi s LYS 8 Ca 0.50 -0.69 0.07 0.00 -1.56 0.00 0.00 55.97 54.29 2dmi s LYS 8 Cb -0.20 -2.84 -0.03 0.00 -1.46 0.00 0.00 37.83 33.29 2dmi s LYS 8 CO 0.26 -0.15 -0.16 -1.17 0.16 0.00 0.00 175.35 174.29 2dmi s LEU 9 N 1.28 2.71 -0.03 5.43 2.96 -1.26 -5.13 118.68 124.64 2dmi s LEU 9 Ca 0.03 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 2dmi s LEU 9 Cb -0.14 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2dmi s LEU 9 CO -0.05 0.23 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.78 2dmi s TYR 10 N -1.01 2.74 0.45 5.38 2.02 -1.26 -5.13 117.35 120.54 2dmi s TYR 10 Ca 0.16 -0.13 0.07 0.00 -0.37 0.00 0.00 57.07 56.80 2dmi s TYR 10 Cb -0.11 -1.61 0.02 0.00 -0.40 0.00 0.00 41.96 39.86 2dmi s TYR 10 CO 0.07 0.24 0.62 0.20 -1.57 0.00 0.00 175.55 175.11 2dmi s GLY 11 N -0.95 1.92 -0.30 0.71 0.00 -1.26 -5.12 107.32 102.32 2dmi s GLY 11 Ca 0.13 -1.67 -0.04 0.00 0.00 0.00 0.00 44.72 43.14 2dmi s GLY 11 CO 0.02 -1.45 0.66 -0.45 0.00 0.00 0.00 173.10 171.88 2dmi s SER 12 N -4.39 -1.25 0.03 1.64 0.15 -1.26 -5.16 113.70 103.46 2dmi s SER 12 Ca 0.56 0.94 -0.12 0.00 0.70 0.00 0.00 55.95 58.03 2dmi s SER 12 Cb -0.10 2.11 -0.06 0.00 -1.71 0.00 0.00 66.02 66.27 2dmi s SER 12 CO 0.34 -0.23 0.39 0.27 1.20 0.00 0.00 173.24 175.20 2dmi s ILE 13 N 2.86 5.09 0.00 6.45 -4.36 -1.26 -5.08 121.20 124.91 2dmi s ILE 13 Ca 0.14 0.63 -0.20 0.00 -0.26 0.00 0.00 60.65 60.96 2dmi s ILE 13 Cb -0.14 -3.66 -0.06 0.00 1.25 0.00 0.00 42.46 39.86 2dmi s ILE 13 CO -0.20 0.46 0.58 0.12 0.24 0.00 0.00 174.94 176.14 2dmi s PHE 14 N -1.21 3.70 -0.14 1.37 5.36 -1.26 -5.07 117.98 120.73 2dmi s PHE 14 Ca 0.27 1.19 -0.01 0.00 -0.96 0.00 0.00 56.93 57.42 2dmi s PHE 14 Cb -0.15 -2.58 0.04 0.00 -0.34 0.00 0.00 43.02 39.99 2dmi s PHE 14 CO 0.15 0.39 -0.01 0.99 -1.46 0.00 0.00 175.22 175.27 2dmi s THR 15 N -0.32 0.71 0.00 0.12 2.01 -1.26 -5.05 115.64 111.85 2dmi s THR 15 Ca 0.30 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 61.94 2dmi s THR 15 Cb -0.18 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.36 2dmi s THR 15 CO 0.17 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 2dmi n GLY 16 N 5.01 0.19 3.17 4.40 0.00 -1.26 -5.17 105.19 111.53 2dmi n GLY 16 Ca -0.10 0.54 -0.26 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 1.56 -0.25 4.61 0.00 -1.26 -5.12 121.76 121.30 2dmi s ALA 17 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 2dmi s ALA 17 Cb 0.00 -0.45 0.08 0.00 0.00 0.00 0.00 23.12 22.75 2dmi s ALA 17 CO 0.00 0.34 0.04 -1.54 0.00 0.00 0.00 175.76 174.60 2dmi s SER 18 N -0.24 3.52 -0.04 0.00 1.04 -1.26 -4.69 113.70 112.03 2dmi s SER 18 Ca 0.02 -1.20 -0.26 0.00 0.48 0.00 0.00 55.95 55.00 2dmi s SER 18 Cb -0.09 -0.81 -0.21 0.00 0.10 0.00 0.00 66.02 65.01 2dmi s SER 18 CO 0.01 -0.33 1.15 0.11 0.98 0.00 0.00 173.24 175.16 2dmi h LYS 19 N 8.13 -0.03 -6.30 4.02 6.56 -1.75 -3.46 116.57 123.73 2dmi h LYS 19 Ca -0.15 0.00 -0.46 0.00 -1.06 0.00 0.00 60.65 58.98 2dmi h LYS 19 Cb 1.07 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.73 2dmi h LYS 19 CO 0.40 0.51 -0.35 -0.06 -2.06 0.00 0.00 179.45 177.90 2dmi s PHE 20 N -3.89 2.89 0.00 -1.35 0.40 -1.04 -5.04 117.98 109.95 2dmi s PHE 20 Ca -0.16 -0.35 -0.13 0.00 -0.60 0.00 0.00 56.93 55.69 2dmi s PHE 20 Cb 0.01 -2.11 0.02 0.00 0.51 0.00 0.00 43.02 41.45 2dmi s PHE 20 CO 0.65 -0.12 0.26 1.03 0.70 0.00 0.00 175.22 177.75 2dmi s ARG 21 N -4.18 0.66 -0.18 0.44 0.52 -1.26 -3.22 118.95 111.73 2dmi s ARG 21 Ca 0.48 -0.33 -0.08 0.00 -0.52 0.00 0.00 55.73 55.28 2dmi s ARG 21 Cb -0.07 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.64 2dmi s ARG 21 CO 0.30 -0.18 0.08 0.00 0.02 0.00 0.00 175.30 175.52 2dmi h LYS 23 N 6.57 -0.32 -0.06 0.00 3.64 -1.34 -3.37 116.57 121.68 2dmi h LYS 23 Ca -0.39 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.02 2dmi h LYS 23 Cb 1.17 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2dmi h LYS 23 CO 0.71 -0.21 -0.06 0.22 -2.27 0.00 0.00 179.45 177.84 2dmi h ASP 24 N -0.59 -0.19 -2.53 4.20 1.82 -1.96 -3.42 116.42 113.75 2dmi h ASP 24 Ca -0.03 0.03 -0.45 0.00 -0.39 0.00 0.00 57.03 56.18 2dmi h ASP 24 Cb 0.25 0.08 0.02 0.00 0.68 0.00 0.00 39.33 40.37 2dmi h ASP 24 CO 0.06 -0.03 -0.15 0.00 -1.61 0.00 0.00 179.24 177.50 2dmi n SER 26 N -1.97 7.13 -4.38 0.00 2.88 -1.26 -4.32 113.62 111.70 2dmi n SER 26 Ca 0.01 -3.45 -0.35 0.00 -1.33 0.00 0.00 58.87 53.75 2dmi n SER 26 Cb 0.58 -1.02 -0.13 0.00 -0.75 0.00 0.00 64.21 62.88 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 -2.88 2.95 0.31 -1.46 0.00 -1.26 -4.98 121.76 114.44 2dmi s ALA 27 Ca 0.49 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 51.40 2dmi s ALA 27 Cb 0.38 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 2dmi s ALA 27 CO -0.02 -0.39 0.35 0.00 0.00 0.00 0.00 175.76 175.70 2dmi s ALA 28 N 1.41 3.95 0.06 0.00 0.00 -1.26 -2.91 121.76 123.02 2dmi s ALA 28 Ca 0.05 -1.50 -0.00 0.00 0.00 0.00 0.00 51.96 50.51 2dmi s ALA 28 Cb -0.15 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2dmi s ALA 28 CO -0.00 0.06 -0.04 0.71 0.00 0.00 0.00 175.76 176.49 2dmi s TYR 29 N -2.19 0.63 -0.09 0.00 1.51 -1.20 -5.01 117.35 111.00 2dmi s TYR 29 Ca 0.40 -0.99 -0.21 0.00 -1.01 0.00 0.00 57.07 55.27 2dmi s TYR 29 Cb -0.08 -0.42 -0.28 0.00 -0.11 0.00 0.00 41.96 41.07 2dmi s TYR 29 CO 0.28 -0.29 0.72 0.22 -1.11 0.00 0.00 175.55 175.37 2dmi h ASP 30 N 3.18 0.35 -3.32 2.29 1.82 -1.88 -2.74 116.42 116.12 2dmi h ASP 30 Ca -0.34 -0.89 -0.65 0.00 -0.39 0.00 0.00 57.03 54.75 2dmi h ASP 30 Cb 1.15 -0.11 -0.12 0.00 0.68 0.00 0.00 39.33 40.93 2dmi h ASP 30 CO 0.64 1.43 -0.66 0.42 -1.61 0.00 0.00 179.24 179.46 2dmi s THR 31 N -2.42 3.98 0.01 2.25 -4.23 -1.26 -4.42 115.64 109.56 2dmi s THR 31 Ca -0.17 -1.03 -0.25 0.00 -1.18 0.00 0.00 61.69 59.06 2dmi s THR 31 Cb 0.02 -2.90 -0.18 0.00 1.34 0.00 0.00 72.50 70.77 2dmi s THR 31 CO 0.78 0.10 1.37 0.25 -0.54 0.00 0.00 174.62 176.58 2dmi h LEU 32 N 3.38 -0.06 -1.82 4.79 5.85 -2.00 -2.82 115.31 122.63 2dmi h LEU 32 Ca -0.48 -0.32 0.31 0.00 0.84 0.00 0.00 57.88 58.23 2dmi h LEU 32 Cb 1.17 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 2dmi h LEU 32 CO 0.59 0.29 0.89 -0.37 -0.34 0.00 0.00 178.44 179.50 2dmi h VAL 33 N -0.42 0.28 0.14 1.05 -1.51 -1.99 0.87 116.25 114.67 2dmi h VAL 33 Ca -0.01 0.00 -0.29 0.00 -1.23 0.00 0.00 66.70 65.18 2dmi h VAL 33 Cb 0.37 0.35 0.01 0.00 -2.13 0.00 0.00 31.29 29.89 2dmi h VAL 33 CO 0.01 0.00 -1.33 -0.33 -1.23 0.00 0.00 177.57 174.70 2dmi h GLU 34 N 0.00 0.29 0.00 5.19 4.39 -1.93 -3.26 114.58 119.26 2dmi h GLU 34 Ca 0.50 -0.50 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dmi h GLU 34 Cb 2.27 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 31.10 2dmi h GLU 34 CO -0.01 1.22 -0.01 1.25 -1.16 0.00 0.00 179.01 180.31 2dmi h LEU 35 N 0.08 0.01 -0.17 1.33 5.85 0.79 -3.31 115.31 119.88 2dmi h LEU 35 Ca -0.17 -0.80 0.02 0.00 0.84 0.00 0.00 57.88 57.78 2dmi h LEU 35 Cb 2.00 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.99 2dmi h LEU 35 CO 0.20 0.80 -0.27 0.71 -0.34 0.00 0.00 178.44 179.54 2dmi h THR 36 N -0.79 0.00 -1.75 1.05 1.35 -0.64 0.33 112.91 112.45 2dmi h THR 36 Ca -0.00 0.00 0.52 0.00 -0.55 0.00 0.00 66.41 66.38 2dmi h THR 36 Cb 0.80 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.13 2dmi h THR 36 CO 0.00 0.00 1.24 1.62 -0.25 0.00 0.00 175.52 178.13 2dmi h VAL 37 N -0.22 0.06 0.15 6.82 3.04 -1.71 1.52 116.25 125.91 2dmi h VAL 37 Ca 0.03 -0.00 -0.31 0.00 -1.01 0.00 0.00 66.70 65.41 2dmi h VAL 37 Cb 0.30 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.63 2dmi h VAL 37 CO -0.28 0.00 -1.51 -0.74 -1.01 0.00 0.00 177.57 174.03 2dmi h HIS 38 N 0.01 0.56 -0.43 3.17 -0.00 -0.65 -2.49 115.15 115.32 2dmi h HIS 38 Ca 0.88 -0.41 -0.02 0.00 -0.00 0.00 0.00 60.37 60.82 2dmi h HIS 38 Cb 3.38 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 30.74 2dmi h HIS 38 CO -0.00 1.43 0.19 0.52 -0.00 0.00 0.00 177.93 180.07 2dmi h MET 39 N 0.08 0.64 -0.10 5.26 2.86 0.55 -1.56 114.93 122.66 2dmi h MET 39 Ca -0.24 -0.10 -0.24 0.00 -2.06 0.00 0.00 59.70 57.06 2dmi h MET 39 Cb 2.04 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 33.60 2dmi h MET 39 CO 0.18 0.57 -0.87 -0.91 1.06 0.00 0.00 176.91 176.94 2dmi h ASN 40 N 0.56 0.90 0.60 1.22 2.35 -1.24 0.97 115.58 120.94 2dmi h ASN 40 Ca 0.15 -0.63 -0.02 0.00 -0.55 0.00 0.00 56.30 55.24 2dmi h ASN 40 Cb 0.15 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2dmi h ASN 40 CO -0.02 1.43 -0.43 -0.33 -1.65 0.00 0.00 177.43 176.43 2dmi h GLU 41 N 0.47 -0.95 0.21 0.81 5.08 -1.32 -3.27 114.58 115.60 2dmi h GLU 41 Ca -0.08 0.07 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 2dmi h GLU 41 Cb 1.50 0.22 0.02 0.00 0.50 0.00 0.00 28.75 30.99 2dmi h GLU 41 CO 0.17 -0.64 -1.51 1.79 -1.00 0.00 0.00 179.01 177.83 2dmi h THR 42 N -0.99 1.23 0.00 1.13 1.35 -1.40 -3.49 112.91 110.74 2dmi h THR 42 Ca -0.08 -2.73 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 2dmi h THR 42 Cb 0.81 2.95 0.00 0.00 -1.73 0.00 0.00 68.15 70.18 2dmi h THR 42 CO 0.04 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 176.75 2dmi n GLY 43 N 1.72 1.74 1.70 5.82 0.00 0.30 -5.07 105.19 111.39 2dmi n GLY 43 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.67 -3.45 -3.94 1.61 8.25 0.94 -4.94 115.22 113.02 2dmi n HIS 44 Ca 0.00 -0.69 -0.09 0.00 -0.26 0.00 0.00 57.72 56.68 2dmi n HIS 44 Cb 0.00 -0.36 -0.09 0.00 1.12 0.00 0.00 29.99 30.66 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 -1.56 0.24 -0.07 4.41 2.02 -1.26 -4.54 117.35 116.59 2dmi s TYR 45 Ca 0.30 -0.62 -0.00 0.00 -0.37 0.00 0.00 57.07 56.38 2dmi s TYR 45 Cb -0.01 -0.17 0.06 0.00 -0.40 0.00 0.00 41.96 41.44 2dmi s TYR 45 CO 0.21 -0.41 1.72 2.89 -1.57 0.00 0.00 175.55 178.38 2dmi n ARG 46 N 0.44 1.18 -3.44 -0.62 1.85 -1.26 -0.91 116.66 113.90 2dmi n ARG 46 Ca -0.17 -0.37 -0.20 0.00 -1.00 0.00 0.00 57.85 56.11 2dmi n ARG 46 Cb 0.60 -1.15 -0.03 0.00 -1.05 0.00 0.00 32.46 30.83 2dmi n ARG 46 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2dmi n ASP 47 N 0.93 -1.62 -4.60 2.89 2.03 -1.25 -4.71 116.55 110.22 2dmi n ASP 47 Ca 0.07 -0.32 -0.35 0.00 0.52 0.00 0.00 54.79 54.71 2dmi n ASP 47 Cb 0.56 -1.46 0.10 0.00 -0.72 0.00 0.00 41.12 39.60 2dmi n ASP 47 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2dmi n ASP 48 N -1.98 0.23 0.07 1.67 5.68 -1.26 -4.97 116.55 115.99 2dmi n ASP 48 Ca 0.05 0.60 -0.05 0.00 -0.50 0.00 0.00 54.79 54.89 2dmi n ASP 48 Cb 0.48 -1.40 -0.03 0.00 -1.14 0.00 0.00 41.12 39.04 2dmi n ASP 48 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 2dmi h ASN 49 N -0.58 -0.23 -0.85 -1.12 -0.73 -2.05 -3.44 115.58 106.58 2dmi h ASN 49 Ca -0.46 -0.04 -0.73 0.00 1.87 0.00 0.00 56.30 56.93 2dmi h ASN 49 Cb 1.32 0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.95 2dmi h ASN 49 CO 0.45 0.26 1.21 1.41 -0.37 0.00 0.00 177.43 180.39 2dmi n HIS 50 N -4.95 1.59 -4.87 0.67 8.25 -1.26 -4.93 115.22 109.72 2dmi n HIS 50 Ca -0.04 0.56 -0.32 0.00 -0.26 0.00 0.00 57.72 57.66 2dmi n HIS 50 Cb 0.13 -2.42 -0.13 0.00 1.12 0.00 0.00 29.99 28.69 2dmi n HIS 50 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2dmi s GLU 51 N 5.27 2.28 0.00 -0.41 1.03 -1.26 -5.01 118.70 120.60 2dmi s GLU 51 Ca 1.10 -0.84 0.22 0.00 0.03 0.00 0.00 54.97 55.48 2dmi s GLU 51 Cb -1.16 -2.26 0.09 0.00 -0.80 0.00 0.00 34.13 30.00 2dmi s GLU 51 CO 0.61 0.58 1.12 0.25 -1.33 0.00 0.00 175.26 176.49 2dmi n THR 52 N 2.04 0.00 -3.66 1.83 -2.24 -1.26 -4.76 114.28 106.23 2dmi n THR 52 Ca -0.17 -0.40 -0.38 0.00 -2.27 0.00 0.00 64.05 60.84 2dmi n THR 52 Cb 0.52 1.36 -0.09 0.00 -2.10 0.00 0.00 70.33 70.02 2dmi n THR 52 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2dmi s ASP 53 N -2.08 5.48 0.25 3.42 1.47 -1.26 -5.03 116.67 118.91 2dmi s ASP 53 Ca 0.22 -2.68 -0.22 0.00 1.18 0.00 0.00 52.55 51.05 2dmi s ASP 53 Cb 0.18 -1.91 0.04 0.00 -0.34 0.00 0.00 42.92 40.89 2dmi s ASP 53 CO 0.40 -0.44 0.84 0.21 0.68 0.00 0.00 175.17 176.86 2dmi s ASN 54 N 1.15 -0.17 -0.04 2.11 3.84 -1.26 -5.07 114.94 115.51 2dmi s ASN 54 Ca 0.15 -0.63 -0.26 0.00 0.21 0.00 0.00 52.86 52.33 2dmi s ASN 54 Cb -0.20 0.65 -0.21 0.00 -0.55 0.00 0.00 41.25 40.94 2dmi s ASN 54 CO -0.04 -1.22 1.21 0.78 -2.79 0.00 0.00 177.10 175.04 2dmi h ASN 55 N 2.00 0.01 -5.77 -4.21 4.21 -2.00 -3.48 115.58 106.33 2dmi h ASN 55 Ca -0.23 -0.55 -0.34 0.00 1.21 0.00 0.00 56.30 56.39 2dmi h ASN 55 Cb 1.24 -0.00 0.14 0.00 -1.12 0.00 0.00 38.32 38.58 2dmi h ASN 55 CO 0.28 0.55 -0.84 -3.20 -1.29 0.00 0.00 177.43 172.93 2dmi n ASN 56 N -4.82 -3.94 0.00 5.81 5.15 -1.26 -4.85 115.26 111.35 2dmi n ASN 56 Ca -0.09 -0.76 0.08 0.00 -0.60 0.00 0.00 54.58 53.21 2dmi n ASN 56 Cb 0.28 -4.64 0.45 0.00 -0.53 0.00 0.00 39.78 35.35 2dmi n ASN 56 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2dmi n PRO 57 N -3.86 0.46 -0.85 1.20 -0.04 -1.26 -4.02 135.00 126.64 2dmi n PRO 57 Ca -0.19 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.19 2dmi n PRO 57 Cb 0.64 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.47 2dmi n PRO 57 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dmi n LYS 58 N -1.02 1.69 -4.11 0.54 4.76 -1.26 -4.80 118.16 113.95 2dmi n LYS 58 Ca 0.11 -0.81 -0.15 0.00 -2.87 0.00 0.00 58.31 54.59 2dmi n LYS 58 Cb 0.06 -1.87 -0.12 0.00 -1.84 0.00 0.00 35.03 31.27 2dmi n LYS 58 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2dmi s ARG 59 N 1.15 0.66 -0.36 1.97 3.52 -1.26 -5.08 118.95 119.55 2dmi s ARG 59 Ca 0.54 -0.87 -0.27 0.00 -0.13 0.00 0.00 55.73 55.00 2dmi s ARG 59 Cb 0.26 -0.50 -0.06 0.00 -1.56 0.00 0.00 34.95 33.09 2dmi s ARG 59 CO 0.00 0.10 2.32 1.87 -0.81 0.00 0.00 175.30 178.78 2dmi n TRP 60 N 1.30 1.69 -4.23 5.12 -0.00 -1.26 -4.92 117.44 115.14 2dmi n TRP 60 Ca -0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.16 2dmi n TRP 60 Cb 0.55 -2.68 -0.10 0.00 -0.00 0.00 0.00 31.31 29.08 2dmi n TRP 60 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 2dmi s SER 61 N 10.12 0.91 0.67 5.87 0.01 -1.26 -5.13 113.70 124.89 2dmi s SER 61 Ca 1.00 -1.24 -0.16 0.00 1.31 0.00 0.00 55.95 56.87 2dmi s SER 61 Cb -0.29 0.19 -0.14 0.00 0.21 0.00 0.00 66.02 65.99 2dmi s SER 61 CO 0.32 -0.66 -0.41 2.29 0.41 0.00 0.00 173.24 175.19 2dmi n LYS 62 N -0.25 0.00 -1.07 12.44 -0.00 -1.26 -4.93 118.16 123.09 2dmi n LYS 62 Ca -0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.96 2dmi n LYS 62 Cb 0.64 -0.90 0.25 0.00 -0.00 0.00 0.00 35.03 35.02 2dmi n LYS 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2dmi s PRO 63 N -1.34 -1.41 0.97 -1.58 0.04 -1.26 -4.99 135.00 125.42 2dmi s PRO 63 Ca 0.44 -0.13 -0.12 0.00 0.04 0.00 0.00 61.00 61.23 2dmi s PRO 63 Cb -0.31 -1.58 0.11 0.00 0.04 0.00 0.00 34.50 32.76 2dmi s PRO 63 CO 0.67 -3.82 0.74 -2.13 0.04 0.00 0.00 177.00 172.50 2dmi n ARG 64 N -4.83 -0.64 -0.95 4.56 0.63 -1.26 -4.60 116.66 109.56 2dmi n ARG 64 Ca 0.14 -0.14 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 2dmi n ARG 64 Cb 0.60 -2.09 -0.09 0.00 0.45 0.00 0.00 32.46 31.32 2dmi n ARG 64 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2dmi n LYS 65 N -3.09 0.00 -0.47 -0.14 4.76 -1.26 -4.85 118.16 113.11 2dmi n LYS 65 Ca 0.08 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.22 2dmi n LYS 65 Cb 0.54 -1.05 0.28 0.00 -1.84 0.00 0.00 35.03 32.95 2dmi n LYS 65 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2dmi s ARG 66 N 5.15 -2.33 1.07 1.97 1.70 -1.26 -4.97 118.95 120.28 2dmi s ARG 66 Ca 0.89 0.29 -0.17 0.00 -0.47 0.00 0.00 55.73 56.27 2dmi s ARG 66 Cb -0.98 -1.43 0.13 0.00 -0.57 0.00 0.00 34.95 32.10 2dmi s ARG 66 CO 0.41 -4.52 0.08 0.43 -1.08 0.00 0.00 175.30 170.62 2dmi n SER 67 N -5.40 -2.78 0.00 -2.89 7.64 -1.26 -4.99 113.62 103.94 2dmi n SER 67 Ca 0.10 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2dmi n SER 67 Cb 0.59 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.25 0.34 -4.10 -3.43 7.99 -1.26 -4.91 117.00 110.38 2dmi n LEU 68 Ca 0.03 0.32 -0.33 0.00 -0.01 0.00 0.00 56.01 56.03 2dmi n LEU 68 Cb 0.50 -0.43 -0.16 0.00 -0.11 0.00 0.00 43.42 43.22 2dmi n LEU 68 CO 0.37 -0.43 -0.52 -0.76 -1.51 0.00 0.00 177.39 174.55 2dmi s LEU 69 N -3.83 2.26 -0.19 2.23 2.01 -1.26 -5.09 118.68 114.82 2dmi s LEU 69 Ca 0.00 -0.74 -0.05 0.00 0.01 0.00 0.00 54.13 53.36 2dmi s LEU 69 Cb 0.00 -1.46 0.07 0.00 0.01 0.00 0.00 46.19 44.81 2dmi s LEU 69 CO 0.00 -0.03 0.10 -1.83 1.01 0.00 0.00 176.35 175.60 2dmi s GLU 70 N 1.29 0.09 -0.22 1.70 -1.05 -1.26 -5.10 118.70 114.13 2dmi s GLU 70 Ca 0.03 -0.14 -0.03 0.00 -0.15 0.00 0.00 54.97 54.68 2dmi s GLU 70 Cb -0.14 -1.69 0.12 0.00 -0.44 0.00 0.00 34.13 31.98 2dmi s GLU 70 CO -0.12 -0.73 0.31 -1.64 0.95 0.00 0.00 175.26 174.04 2dmi s MET 71 N 2.14 0.28 -0.62 -4.83 -1.94 -1.26 -5.09 119.30 107.98 2dmi s MET 71 Ca 0.03 0.40 0.01 0.00 -1.71 0.00 0.00 55.69 54.43 2dmi s MET 71 Cb -0.16 -0.78 0.16 0.00 2.01 0.00 0.00 34.83 36.06 2dmi s MET 71 CO -0.14 -0.64 0.40 -1.83 -0.01 0.00 0.00 175.02 172.81 2dmi s GLU 72 N 2.45 2.37 -0.30 2.03 -1.05 -1.26 -5.01 118.70 117.94 2dmi s GLU 72 Ca 0.10 -2.77 -0.19 0.00 -0.15 0.00 0.00 54.97 51.96 2dmi s GLU 72 Cb -0.16 -3.53 0.19 0.00 -0.44 0.00 0.00 34.13 30.19 2dmi s GLU 72 CO -0.14 -1.17 1.30 0.20 0.95 0.00 0.00 175.26 176.39 2dmi s GLY 73 N -0.13 0.27 -0.25 -3.83 0.00 -1.26 -5.02 107.32 97.10 2dmi s GLY 73 Ca 0.19 3.64 -0.01 0.00 0.00 0.00 0.00 44.72 48.54 2dmi s GLY 73 CO -0.05 3.46 2.10 0.28 0.00 0.00 0.00 173.10 178.89 2dmi n LYS 74 N 4.64 1.66 -3.80 2.90 4.01 -1.26 -4.75 118.16 121.55 2dmi n LYS 74 Ca -0.07 -1.24 -0.29 0.00 -0.51 0.00 0.00 58.31 56.20 2dmi n LYS 74 Cb 0.56 -1.51 -0.16 0.00 -0.51 0.00 0.00 35.03 33.40 2dmi n LYS 74 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2dmi s GLU 75 N -1.33 0.98 -0.27 1.97 0.41 -1.26 -5.01 118.70 114.18 2dmi s GLU 75 Ca 0.26 -0.78 -0.02 0.00 -0.41 0.00 0.00 54.97 54.02 2dmi s GLU 75 Cb 0.20 -2.25 0.09 0.00 -1.78 0.00 0.00 34.13 30.38 2dmi s GLU 75 CO -0.02 -0.72 2.41 -3.47 -0.49 0.00 0.00 175.26 172.98 2dmi n ASP 76 N 4.87 6.17 -3.83 -0.19 -0.08 -1.26 -4.75 116.55 117.48 2dmi n ASP 76 Ca -0.08 -2.94 -0.29 0.00 -1.51 0.00 0.00 54.79 49.96 2dmi n ASP 76 Cb 0.45 -1.16 0.02 0.00 2.34 0.00 0.00 41.12 42.77 2dmi n ASP 76 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dmi n ALA 77 N 0.90 -1.24 -3.70 -1.67 0.00 -1.26 -4.94 120.51 108.60 2dmi n ALA 77 Ca 0.32 0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.66 2dmi n ALA 77 Cb 0.60 -4.33 -0.14 0.00 0.00 0.00 0.00 19.45 15.58 2dmi n ALA 77 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2dmi s GLN 78 N -6.53 0.97 -0.23 0.00 -1.52 -1.26 -4.99 119.66 106.09 2dmi s GLN 78 Ca 0.63 -1.55 -0.02 0.00 -1.95 0.00 0.00 55.36 52.47 2dmi s GLN 78 Cb -0.32 -2.09 0.05 0.00 -0.22 0.00 0.00 33.01 30.44 2dmi s GLN 78 CO 0.78 -1.09 2.47 1.63 -0.25 0.00 0.00 175.29 178.82 2dmi n LYS 79 N 4.14 1.82 -2.37 2.91 5.02 -1.26 -4.92 118.16 123.50 2dmi n LYS 79 Ca 0.05 -1.35 -0.25 0.00 -2.02 0.00 0.00 58.31 54.74 2dmi n LYS 79 Cb 0.38 -1.68 0.09 0.00 -0.02 0.00 0.00 35.03 33.79 2dmi n LYS 79 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2dmi s VAL 80 N -1.27 2.29 -0.67 -0.18 1.01 -1.26 -4.93 120.40 115.38 2dmi s VAL 80 Ca 0.38 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 2dmi s VAL 80 Cb 0.24 -2.87 -0.13 0.00 0.00 0.00 0.00 36.38 33.62 2dmi s VAL 80 CO -0.06 0.00 2.65 0.18 0.00 0.00 0.00 175.10 177.88 2dmi n LEU 81 N -2.87 5.40 -4.93 3.92 4.77 -1.26 -4.88 117.00 117.14 2dmi n LEU 81 Ca 0.11 -3.07 -0.25 0.00 -0.03 0.00 0.00 56.01 52.76 2dmi n LEU 81 Cb 0.60 -1.19 -0.01 0.00 -2.33 0.00 0.00 43.42 40.49 2dmi n LEU 81 CO 0.47 1.21 0.25 -0.75 -1.33 0.00 0.00 177.39 177.24 2dmi s LYS 82 N 2.25 3.51 0.06 3.23 2.20 -1.26 -3.38 119.74 126.35 2dmi s LYS 82 Ca 0.52 -0.17 -0.11 0.00 -0.36 0.00 0.00 55.97 55.84 2dmi s LYS 82 Cb 0.18 -2.59 -0.06 0.00 -1.51 0.00 0.00 37.83 33.86 2dmi s LYS 82 CO -0.02 0.06 0.41 0.00 -0.36 0.00 0.00 175.35 175.44 2dmi h MET 84 N 3.95 0.20 0.00 0.00 4.05 -1.97 -2.93 114.93 118.23 2dmi h MET 84 Ca -0.50 -0.34 0.00 0.00 -0.28 0.00 0.00 59.70 58.58 2dmi h MET 84 Cb 1.20 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 32.13 2dmi h MET 84 CO 0.65 1.07 0.00 0.98 0.23 0.00 0.00 176.91 179.84 2dmi n TYR 85 N -3.42 0.00 -0.08 1.39 9.36 -1.26 -4.65 117.16 118.50 2dmi n TYR 85 Ca -0.13 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 60.87 2dmi n TYR 85 Cb 1.03 -0.21 -0.12 0.00 -0.63 0.00 0.00 39.34 39.41 2dmi n TYR 85 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2dmi n GLY 87 N 1.55 -0.31 2.78 0.00 0.00 -1.11 -4.96 105.19 103.15 2dmi n GLY 87 Ca -0.34 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 1.71 0.42 1.61 5.04 -1.26 -4.74 115.29 118.07 2dmi s HIS 88 Ca 0.00 -1.52 -0.26 0.00 -1.54 0.00 0.00 55.06 51.74 2dmi s HIS 88 Cb 0.00 -1.52 -0.09 0.00 0.04 0.00 0.00 32.58 31.01 2dmi s HIS 88 CO 0.00 -0.78 1.40 -1.54 -2.34 0.00 0.00 174.74 171.48 2dmi s SER 89 N 1.62 6.14 0.33 9.88 1.04 -1.26 -3.96 113.70 127.48 2dmi s SER 89 Ca 0.04 2.85 0.06 0.00 0.48 0.00 0.00 55.95 59.38 2dmi s SER 89 Cb -0.18 -2.65 -0.02 0.00 0.10 0.00 0.00 66.02 63.27 2dmi s SER 89 CO -0.16 -0.99 0.20 0.49 0.98 0.00 0.00 173.24 173.77 2dmi n PHE 90 N 0.07 -0.36 -0.07 5.02 3.72 -1.22 -4.99 117.46 119.64 2dmi n PHE 90 Ca 0.04 -2.48 -0.12 0.00 -0.05 0.00 0.00 57.45 54.84 2dmi n PHE 90 Cb 0.42 0.15 -0.05 0.00 -0.94 0.00 0.00 39.48 39.06 2dmi n PHE 90 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2dmi n GLU 91 N -0.69 0.30 -4.60 -1.08 0.28 -1.26 -4.61 120.64 108.98 2dmi n GLU 91 Ca 0.02 0.10 -0.32 0.00 -0.16 0.00 0.00 57.16 56.80 2dmi n GLU 91 Cb 0.55 -1.09 -0.12 0.00 1.43 0.00 0.00 31.44 32.22 2dmi n GLU 91 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2dmi s SER 92 N -5.80 4.24 0.25 -1.84 1.04 -1.26 -4.99 113.70 105.34 2dmi s SER 92 Ca -0.18 -0.25 -0.03 0.00 0.48 0.00 0.00 55.95 55.97 2dmi s SER 92 Cb 0.06 -0.88 0.51 0.00 0.10 0.00 0.00 66.02 65.81 2dmi s SER 92 CO 0.26 0.28 1.72 0.25 0.98 0.00 0.00 173.24 176.73 2dmi h LEU 93 N 4.67 0.24 -0.81 2.42 5.85 -1.97 -2.10 115.31 123.60 2dmi h LEU 93 Ca -0.48 0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.48 2dmi h LEU 93 Cb 1.16 0.12 -0.12 0.00 0.37 0.00 0.00 40.66 42.19 2dmi h LEU 93 CO 0.51 0.06 -0.36 1.67 -0.34 0.00 0.00 178.44 179.98 2dmi n GLN 94 N -5.04 -0.23 0.06 1.25 -0.06 -1.26 -0.57 117.38 111.53 2dmi n GLN 94 Ca 0.16 1.24 -0.12 0.00 -2.00 0.00 0.00 57.00 56.27 2dmi n GLN 94 Cb 0.47 -1.83 -0.07 0.00 -4.06 0.00 0.00 30.24 24.74 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 -1.23 -0.28 1.69 1.82 -1.81 -0.57 116.42 116.05 2dmi h ASP 95 Ca 0.24 0.13 0.04 0.00 -0.39 0.00 0.00 57.03 57.06 2dmi h ASP 95 Cb 0.44 0.46 -0.07 0.00 0.68 0.00 0.00 39.33 40.84 2dmi h ASP 95 CO -0.79 -0.41 -0.55 0.25 -1.61 0.00 0.00 179.24 176.13 2dmi h LEU 96 N -0.53 -1.80 -1.88 2.28 7.12 -0.91 0.69 115.31 120.27 2dmi h LEU 96 Ca 0.00 0.23 0.32 0.00 0.13 0.00 0.00 57.88 58.56 2dmi h LEU 96 Cb 0.56 0.72 -0.06 0.00 -0.53 0.00 0.00 40.66 41.35 2dmi h LEU 96 CO -0.25 -0.44 0.80 -1.28 -0.13 0.00 0.00 178.44 177.14 2dmi h SER 97 N -0.49 0.08 0.00 1.25 0.87 -0.80 -1.54 113.55 112.93 2dmi h SER 97 Ca 0.05 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2dmi h SER 97 Cb 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2dmi h SER 97 CO -0.52 0.01 -0.02 0.58 -0.53 0.00 0.00 176.83 176.36 2dmi h VAL 98 N 0.07 0.00 -0.69 2.23 2.07 0.12 -3.29 116.25 116.76 2dmi h VAL 98 Ca 0.56 -0.11 0.20 0.00 0.82 0.00 0.00 66.70 68.17 2dmi h VAL 98 Cb 2.09 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.73 2dmi h VAL 98 CO -0.06 0.00 0.06 1.57 0.02 0.00 0.00 177.57 179.16 2dmi n HIS 99 N -2.37 0.49 0.16 1.57 -0.00 0.20 0.04 115.22 115.30 2dmi n HIS 99 Ca -0.00 0.83 -0.10 0.00 -0.00 0.00 0.00 57.72 58.44 2dmi n HIS 99 Cb 0.01 -1.05 -0.06 0.00 -0.00 0.00 0.00 29.99 28.90 2dmi n HIS 99 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2dmi h MET 100 N 0.00 -0.55 -0.61 1.57 2.86 -1.45 -0.39 114.93 116.36 2dmi h MET 100 Ca 0.44 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 58.20 2dmi h MET 100 Cb 0.95 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.67 2dmi h MET 100 CO -0.63 -0.37 0.27 0.82 1.06 0.00 0.00 176.91 178.06 2dmi h ILE 101 N -0.57 0.84 -0.23 -1.22 2.04 -0.46 0.85 117.51 118.75 2dmi h ILE 101 Ca -0.03 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.72 2dmi h ILE 101 Cb 0.50 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 2dmi h ILE 101 CO -0.05 0.09 -0.28 0.11 0.00 0.00 0.00 178.15 178.03 2dmi h LYS 102 N 0.49 -0.28 -0.67 2.37 1.57 -0.63 -0.91 116.57 118.51 2dmi h LYS 102 Ca 0.30 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.03 2dmi h LYS 102 Cb 0.31 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 2dmi h LYS 102 CO -0.26 -0.19 0.08 0.25 -0.57 0.00 0.00 179.45 178.77 2dmi n THR 103 N -5.39 2.59 -3.59 -0.16 -2.24 -0.17 -4.92 114.28 100.39 2dmi n THR 103 Ca -0.01 -1.34 -0.24 0.00 -2.27 0.00 0.00 64.05 60.19 2dmi n THR 103 Cb 0.31 -0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.15 2dmi n THR 103 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2dmi n LYS 104 N 0.35 -0.89 0.14 -0.78 2.85 0.27 -4.74 118.16 115.36 2dmi n LYS 104 Ca 0.29 0.07 0.02 0.00 -1.05 0.00 0.00 58.31 57.65 2dmi n LYS 104 Cb 1.18 -2.69 0.06 0.00 -0.65 0.00 0.00 35.03 32.93 2dmi n LYS 104 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2dmi h HIS 105 N -0.70 0.00 -0.54 5.58 3.86 -1.27 -3.20 115.15 118.88 2dmi h HIS 105 Ca -0.41 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.75 2dmi h HIS 105 Cb 0.91 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.36 2dmi h HIS 105 CO 0.40 0.55 0.15 0.10 0.86 0.00 0.00 177.93 179.98 2dmi h TYR 106 N 0.00 0.89 -0.55 2.45 -0.00 -1.85 -2.96 116.97 114.94 2dmi h TYR 106 Ca -0.01 -0.10 -0.11 0.00 -0.00 0.00 0.00 58.73 58.51 2dmi h TYR 106 Cb 1.35 -0.25 -0.02 0.00 -0.00 0.00 0.00 36.73 37.81 2dmi h TYR 106 CO 0.00 0.77 -0.10 -0.56 -0.00 0.00 0.00 178.16 178.27 2dmi h GLN 107 N 0.75 1.04 -1.00 0.10 3.07 -1.91 -3.21 115.11 113.95 2dmi h GLN 107 Ca 0.17 -0.38 0.13 0.00 0.09 0.00 0.00 58.65 58.66 2dmi h GLN 107 Cb 0.31 -0.07 -0.14 0.00 0.08 0.00 0.00 27.48 27.66 2dmi h GLN 107 CO -0.00 1.07 -0.47 1.63 0.09 0.00 0.00 178.83 181.15 2dmi n LYS 108 N -4.15 -0.32 -2.51 0.06 4.76 -1.12 -4.10 118.16 110.78 2dmi n LYS 108 Ca 0.02 1.53 -0.43 0.00 -2.87 0.00 0.00 58.31 56.56 2dmi n LYS 108 Cb 0.40 -2.26 -0.02 0.00 -1.84 0.00 0.00 35.03 31.31 2dmi n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2dmi s VAL 109 N -5.77 4.41 0.25 -0.18 -7.23 -1.21 -5.00 120.40 105.67 2dmi s VAL 109 Ca -0.13 1.70 0.00 0.00 -1.81 0.00 0.00 61.98 61.75 2dmi s VAL 109 Cb 0.17 -4.10 -0.00 0.00 0.56 0.00 0.00 36.38 33.01 2dmi s VAL 109 CO 0.68 -0.10 0.32 -0.24 -0.31 0.00 0.00 175.10 175.44 2dmi n SER 110 N 6.10 -0.87 -3.86 4.85 2.88 -1.26 -4.98 113.62 116.50 2dmi n SER 110 Ca 0.12 -2.41 -0.11 0.00 -1.33 0.00 0.00 58.87 55.14 2dmi n SER 110 Cb 0.46 1.68 -0.10 0.00 -0.75 0.00 0.00 64.21 65.49 2dmi n SER 110 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dmi s GLY 111 N -2.58 -0.00 -0.02 0.46 0.00 -1.26 -5.13 107.32 98.79 2dmi s GLY 111 Ca 0.23 0.03 -0.30 0.00 0.00 0.00 0.00 44.72 44.67 2dmi s GLY 111 CO 0.16 -0.09 1.47 2.56 0.00 0.00 0.00 173.10 177.20 2dmi s PRO 112 N -1.00 4.24 -0.17 2.90 0.04 -1.26 -4.93 135.00 134.83 2dmi s PRO 112 Ca -0.11 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.73 2dmi s PRO 112 Cb -0.06 -3.69 -0.23 0.00 0.04 0.00 0.00 34.50 30.56 2dmi s PRO 112 CO 0.01 -0.67 0.44 0.66 0.04 0.00 0.00 177.00 177.48 2dmi h SER 113 N 8.32 0.08 -1.58 6.66 4.64 -2.09 -3.47 113.55 126.11 2dmi h SER 113 Ca -0.37 -0.72 -0.49 0.00 -0.47 0.00 0.00 61.79 59.73 2dmi h SER 113 Cb 1.17 -0.03 0.14 0.00 -0.31 0.00 0.00 62.40 63.38 2dmi h SER 113 CO 0.93 1.39 -0.91 -1.54 -0.87 0.00 0.00 176.83 175.82 2dmi n SER 114 N -4.36 -2.86 0.00 4.97 3.41 -1.26 -5.38 113.62 108.13 2dmi n SER 114 Ca -0.25 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2dmi n SER 114 Cb 0.68 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2dmi n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49