#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmi n SER 2 N 0.00 -0.23 -3.60 1.61 2.88 -1.26 -4.95 113.62 108.07 2dmi n SER 2 Ca 0.00 0.88 -0.02 0.00 -1.33 0.00 0.00 58.87 58.40 2dmi n SER 2 Cb 0.00 -0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 62.69 2dmi n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dmi s SER 3 N -0.18 -0.64 0.00 -3.46 0.15 -1.26 -5.16 113.70 103.15 2dmi s SER 3 Ca 0.64 0.98 0.00 0.00 0.70 0.00 0.00 55.95 58.28 2dmi s SER 3 Cb -0.91 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2dmi s SER 3 CO 0.43 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.33 2dmi n GLY 4 N 4.17 2.87 3.85 9.45 0.00 -1.26 -5.15 105.19 119.12 2dmi n GLY 4 Ca -0.17 0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 6.56 -0.00 1.61 0.15 -1.26 -5.09 113.70 115.66 2dmi s SER 5 Ca 0.00 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2dmi s SER 5 Cb 0.00 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 2dmi s SER 5 CO 0.00 0.34 0.05 -0.44 1.20 0.00 0.00 173.24 174.39 2dmi s SER 6 N -0.88 5.44 0.00 5.45 0.01 -1.26 -5.11 113.70 117.35 2dmi s SER 6 Ca 0.18 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.52 2dmi s SER 6 Cb -0.14 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.59 2dmi s SER 6 CO 0.08 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.61 2dmi n GLY 7 N 1.26 4.07 3.62 3.44 0.00 -1.26 -5.18 105.19 111.14 2dmi n GLY 7 Ca -0.14 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.34 2.03 -0.19 1.61 1.02 -1.26 -5.11 119.74 116.49 2dmi s LYS 8 Ca 0.00 -1.83 -0.23 0.00 0.02 0.00 0.00 55.97 53.94 2dmi s LYS 8 Cb 0.00 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.43 2dmi s LYS 8 CO 0.00 0.10 0.71 -0.51 -0.92 0.00 0.00 175.35 174.73 2dmi s LEU 9 N -3.71 4.15 0.20 3.17 1.02 -1.26 -5.06 118.68 117.19 2dmi s LEU 9 Ca 0.35 0.96 0.07 0.00 0.02 0.00 0.00 54.13 55.52 2dmi s LEU 9 Cb 0.02 -3.02 -0.04 0.00 0.02 0.00 0.00 46.19 43.16 2dmi s LEU 9 CO 0.19 -0.33 0.10 -0.72 0.02 0.00 0.00 176.35 175.60 2dmi s TYR 10 N 2.05 3.00 0.21 0.29 -0.85 -1.26 -5.14 117.35 115.65 2dmi s TYR 10 Ca 0.32 -0.10 0.10 0.00 -0.52 0.00 0.00 57.07 56.88 2dmi s TYR 10 Cb -0.16 -1.41 -0.05 0.00 0.38 0.00 0.00 41.96 40.72 2dmi s TYR 10 CO 0.11 0.53 -0.20 0.20 -1.52 0.00 0.00 175.55 174.67 2dmi s GLY 11 N -3.30 1.63 -0.85 5.49 0.00 -1.26 -5.09 107.32 103.95 2dmi s GLY 11 Ca 0.30 -1.66 -0.17 0.00 0.00 0.00 0.00 44.72 43.20 2dmi s GLY 11 CO 0.22 -1.71 0.94 -1.35 0.00 0.00 0.00 173.10 171.20 2dmi s SER 12 N -2.94 6.62 0.35 1.64 1.04 -1.26 -5.03 113.70 114.13 2dmi s SER 12 Ca 0.22 -2.21 -0.26 0.00 0.48 0.00 0.00 55.95 54.18 2dmi s SER 12 Cb -0.06 -2.32 -0.09 0.00 0.10 0.00 0.00 66.02 63.65 2dmi s SER 12 CO 0.10 -0.89 1.01 0.27 0.98 0.00 0.00 173.24 174.72 2dmi s ILE 13 N 1.74 3.88 0.91 -1.02 -4.36 -1.26 -5.04 121.20 116.04 2dmi s ILE 13 Ca 0.24 1.55 -0.12 0.00 -0.26 0.00 0.00 60.65 62.07 2dmi s ILE 13 Cb -0.09 -3.86 0.13 0.00 1.25 0.00 0.00 42.46 39.89 2dmi s ILE 13 CO -0.07 0.12 1.12 -0.36 0.24 0.00 0.00 174.94 175.99 2dmi s PHE 14 N -1.56 2.49 -0.19 1.37 0.40 -1.26 -5.07 117.98 114.16 2dmi s PHE 14 Ca 0.53 0.94 -0.04 0.00 -0.60 0.00 0.00 56.93 57.76 2dmi s PHE 14 Cb -0.22 -3.31 0.08 0.00 0.51 0.00 0.00 43.02 40.07 2dmi s PHE 14 CO 0.28 -2.35 0.16 0.99 0.70 0.00 0.00 175.22 175.00 2dmi s THR 15 N -3.19 -0.22 0.00 0.64 2.01 -1.26 -5.08 115.64 108.53 2dmi s THR 15 Ca 0.63 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.52 2dmi s THR 15 Cb -0.15 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.73 2dmi s THR 15 CO 0.54 -0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 2dmi n GLY 16 N 5.30 3.44 3.65 4.40 0.00 -1.26 -5.18 105.19 115.54 2dmi n GLY 16 Ca -0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.39 -0.41 4.61 0.00 -1.26 -5.13 121.76 117.18 2dmi s ALA 17 Ca 0.00 2.07 -0.10 0.00 0.00 0.00 0.00 51.96 53.93 2dmi s ALA 17 Cb 0.00 -1.79 0.07 0.00 0.00 0.00 0.00 23.12 21.39 2dmi s ALA 17 CO 0.00 -0.31 0.25 -1.12 0.00 0.00 0.00 175.76 174.58 2dmi s SER 18 N 1.07 5.69 0.12 0.00 0.01 -1.26 -4.97 113.70 114.35 2dmi s SER 18 Ca -0.07 -1.36 -0.24 0.00 1.31 0.00 0.00 55.95 55.59 2dmi s SER 18 Cb -0.03 -2.01 -0.06 0.00 0.21 0.00 0.00 66.02 64.13 2dmi s SER 18 CO -0.13 -0.51 1.67 0.11 0.41 0.00 0.00 173.24 174.80 2dmi h LYS 19 N 8.43 -0.22 -6.06 12.44 6.56 -1.82 -3.42 116.57 132.49 2dmi h LYS 19 Ca -0.24 0.02 -0.67 0.00 -1.06 0.00 0.00 60.65 58.70 2dmi h LYS 19 Cb 1.09 0.05 -0.14 0.00 -0.57 0.00 0.00 32.23 32.66 2dmi h LYS 19 CO 0.74 -0.15 -0.63 -0.06 -2.06 0.00 0.00 179.45 177.30 2dmi s PHE 20 N -6.14 3.14 -0.02 -1.35 0.40 -0.76 -5.03 117.98 108.22 2dmi s PHE 20 Ca -0.14 0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.34 2dmi s PHE 20 Cb 0.09 -1.73 0.01 0.00 0.51 0.00 0.00 43.02 41.90 2dmi s PHE 20 CO 0.67 0.48 -0.04 1.03 0.70 0.00 0.00 175.22 178.06 2dmi s ARG 21 N -1.28 0.50 -1.17 0.44 0.52 -1.26 -1.55 118.95 115.16 2dmi s ARG 21 Ca 0.17 -0.10 -0.11 0.00 -0.52 0.00 0.00 55.73 55.17 2dmi s ARG 21 Cb -0.11 -0.54 0.22 0.00 0.52 0.00 0.00 34.95 35.04 2dmi s ARG 21 CO 0.07 -0.00 1.28 0.00 0.02 0.00 0.00 175.30 176.68 2dmi n LYS 23 N 4.22 -0.23 -0.29 0.00 4.81 -1.26 -0.09 118.16 125.31 2dmi n LYS 23 Ca 0.31 1.09 -0.07 0.00 -0.87 0.00 0.00 58.31 58.76 2dmi n LYS 23 Cb 0.41 -1.61 -0.06 0.00 0.02 0.00 0.00 35.03 33.79 2dmi n LYS 23 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2dmi n ASP 24 N -4.98 -0.72 -4.19 3.14 9.92 -1.26 -4.53 116.55 113.94 2dmi n ASP 24 Ca 0.05 1.25 -0.18 0.00 -0.53 0.00 0.00 54.79 55.38 2dmi n ASP 24 Cb 0.24 -0.17 0.02 0.00 -0.64 0.00 0.00 41.12 40.57 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 -2.13 7.59 -4.67 0.00 3.41 -1.26 -4.63 113.62 111.93 2dmi n SER 26 Ca 0.04 -3.79 -0.29 0.00 -0.26 0.00 0.00 58.87 54.57 2dmi n SER 26 Cb 0.47 -0.97 -0.10 0.00 -0.26 0.00 0.00 64.21 63.36 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 -3.85 3.46 0.23 7.33 0.00 -1.26 -5.06 121.76 122.61 2dmi s ALA 27 Ca 0.63 -1.84 -0.17 0.00 0.00 0.00 0.00 51.96 50.57 2dmi s ALA 27 Cb 0.50 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.67 2dmi s ALA 27 CO -0.06 -0.11 0.57 0.00 0.00 0.00 0.00 175.76 176.16 2dmi s ALA 28 N -2.73 -0.86 0.22 0.00 0.00 -1.26 -2.29 121.76 114.84 2dmi s ALA 28 Ca 0.30 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.78 2dmi s ALA 28 Cb 0.07 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 24.08 2dmi s ALA 28 CO 0.16 -0.89 0.33 0.71 0.00 0.00 0.00 175.76 176.07 2dmi s TYR 29 N -3.92 0.68 -0.19 0.00 1.51 -0.59 -4.98 117.35 109.85 2dmi s TYR 29 Ca 0.13 -0.98 -0.08 0.00 -1.01 0.00 0.00 57.07 55.13 2dmi s TYR 29 Cb -0.02 -0.12 -0.21 0.00 -0.11 0.00 0.00 41.96 41.50 2dmi s TYR 29 CO 0.03 -0.84 0.12 -0.25 -1.11 0.00 0.00 175.55 173.49 2dmi n ASP 30 N -0.33 2.03 -4.68 2.29 8.00 -1.26 -1.83 116.55 120.77 2dmi n ASP 30 Ca -0.00 0.17 -0.27 0.00 0.71 0.00 0.00 54.79 55.39 2dmi n ASP 30 Cb 0.64 -0.76 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 2dmi n ASP 30 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2dmi s THR 31 N -2.51 3.85 0.01 -3.53 -4.23 -1.26 -4.47 115.64 103.49 2dmi s THR 31 Ca -0.28 -1.32 -0.21 0.00 -1.18 0.00 0.00 61.69 58.69 2dmi s THR 31 Cb 0.08 -2.92 -0.19 0.00 1.34 0.00 0.00 72.50 70.80 2dmi s THR 31 CO 0.67 -0.08 1.19 0.25 -0.54 0.00 0.00 174.62 176.11 2dmi h LEU 32 N 2.78 0.40 -1.59 4.79 5.85 -1.99 -2.90 115.31 122.64 2dmi h LEU 32 Ca -0.47 -0.64 0.07 0.00 0.84 0.00 0.00 57.88 57.67 2dmi h LEU 32 Cb 1.20 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2dmi h LEU 32 CO 0.59 0.98 0.56 1.62 -0.34 0.00 0.00 178.44 181.84 2dmi h VAL 33 N -0.16 0.11 0.08 1.05 3.04 -2.00 0.14 116.25 118.51 2dmi h VAL 33 Ca -0.02 0.00 -0.30 0.00 -1.01 0.00 0.00 66.70 65.37 2dmi h VAL 33 Cb 0.96 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 30.71 2dmi h VAL 33 CO 0.07 0.00 -1.61 -0.33 -1.01 0.00 0.00 177.57 174.68 2dmi h GLU 34 N 0.00 0.17 0.07 4.17 4.39 -1.97 -3.36 114.58 118.06 2dmi h GLU 34 Ca 0.11 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.52 2dmi h GLU 34 Cb 1.23 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 2dmi h GLU 34 CO -0.00 1.14 -0.04 1.25 -1.16 0.00 0.00 179.01 180.20 2dmi h LEU 35 N -0.39 -0.09 -0.37 1.33 5.85 -0.63 -3.23 115.31 117.78 2dmi h LEU 35 Ca -0.37 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.27 2dmi h LEU 35 Cb 1.72 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.72 2dmi h LEU 35 CO -0.02 0.07 -0.28 0.71 -0.34 0.00 0.00 178.44 178.58 2dmi h THR 36 N -0.23 0.00 -0.87 1.05 1.35 -1.14 0.26 112.91 113.34 2dmi h THR 36 Ca -0.01 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 66.02 2dmi h THR 36 Cb 0.20 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 66.45 2dmi h THR 36 CO 0.02 0.00 -0.22 0.52 -0.25 0.00 0.00 175.52 175.59 2dmi n VAL 37 N -4.04 -0.37 -0.12 6.82 0.31 -1.23 0.10 118.33 119.81 2dmi n VAL 37 Ca -0.00 1.98 -0.11 0.00 -0.01 0.00 0.00 64.34 66.20 2dmi n VAL 37 Cb 0.14 -2.74 -0.02 0.00 -0.91 0.00 0.00 33.84 30.30 2dmi n VAL 37 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2dmi h HIS 38 N 0.00 0.66 -0.46 3.52 -0.00 -0.97 0.40 115.15 118.30 2dmi h HIS 38 Ca 0.41 -0.12 0.09 0.00 -0.00 0.00 0.00 60.37 60.76 2dmi h HIS 38 Cb 0.63 -0.17 -0.08 0.00 -0.00 0.00 0.00 27.41 27.79 2dmi h HIS 38 CO -0.67 0.72 -0.04 0.52 -0.00 0.00 0.00 177.93 178.46 2dmi h MET 39 N 0.42 0.07 0.00 5.26 2.86 0.40 -0.12 114.93 123.82 2dmi h MET 39 Ca 0.10 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2dmi h MET 39 Cb 0.45 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2dmi h MET 39 CO 0.02 0.05 -0.00 -0.91 1.06 0.00 0.00 176.91 177.12 2dmi h ASN 40 N 0.07 -0.00 -0.79 1.22 2.35 -0.99 0.67 115.58 118.10 2dmi h ASN 40 Ca 0.23 -0.82 0.15 0.00 -0.55 0.00 0.00 56.30 55.31 2dmi h ASN 40 Cb 0.34 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.57 2dmi h ASN 40 CO -0.41 0.83 -0.23 -0.33 -1.65 0.00 0.00 177.43 175.64 2dmi h GLU 41 N -0.85 -0.02 0.06 0.81 4.39 -0.01 -2.72 114.58 116.24 2dmi h GLU 41 Ca -0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 2dmi h GLU 41 Cb 0.83 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 2dmi h GLU 41 CO 0.00 -0.01 -1.39 1.79 -1.16 0.00 0.00 179.01 178.24 2dmi h THR 42 N -0.02 0.93 0.00 1.13 1.35 -1.13 -3.50 112.91 111.68 2dmi h THR 42 Ca 0.36 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 2dmi h THR 42 Cb 0.58 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2dmi h THR 42 CO -0.82 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 175.62 2dmi n GLY 43 N 1.65 3.47 3.14 5.82 0.00 0.21 -5.08 105.19 114.39 2dmi n GLY 43 Ca -0.29 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.34 -4.18 1.61 8.25 0.19 -4.64 115.22 114.11 2dmi n HIS 44 Ca 0.00 0.29 -0.14 0.00 -0.26 0.00 0.00 57.72 57.61 2dmi n HIS 44 Cb 0.00 -1.50 -0.08 0.00 1.12 0.00 0.00 29.99 29.52 2dmi n HIS 44 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2dmi s TYR 45 N -2.12 1.22 0.68 4.41 5.04 -1.26 -3.82 117.35 121.50 2dmi s TYR 45 Ca 0.45 -1.37 -0.17 0.00 -2.44 0.00 0.00 57.07 53.54 2dmi s TYR 45 Cb -0.07 -0.45 -0.13 0.00 0.35 0.00 0.00 41.96 41.66 2dmi s TYR 45 CO 0.71 -0.82 -0.21 -2.13 -1.34 0.00 0.00 175.55 171.76 2dmi n ARG 46 N -0.42 0.05 -1.11 4.97 3.00 -1.26 -4.68 116.66 117.21 2dmi n ARG 46 Ca 0.03 0.02 -0.12 0.00 -0.00 0.00 0.00 57.85 57.78 2dmi n ARG 46 Cb 0.64 -1.14 0.15 0.00 0.00 0.00 0.00 32.46 32.11 2dmi n ARG 46 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2dmi n ASP 47 N 2.32 3.51 -4.99 6.15 5.75 -1.26 -4.88 116.55 123.15 2dmi n ASP 47 Ca 0.05 -3.79 -0.19 0.00 -0.01 0.00 0.00 54.79 50.86 2dmi n ASP 47 Cb 0.50 -0.62 0.01 0.00 -1.03 0.00 0.00 41.12 39.98 2dmi n ASP 47 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2dmi s ASP 48 N -2.65 5.69 0.24 -1.12 2.15 -1.26 -4.91 116.67 114.81 2dmi s ASP 48 Ca 0.48 -0.19 -0.30 0.00 0.43 0.00 0.00 52.55 52.97 2dmi s ASP 48 Cb 0.42 -0.96 -0.09 0.00 -0.30 0.00 0.00 42.92 41.99 2dmi s ASP 48 CO 0.00 -0.73 1.17 0.20 -0.17 0.00 0.00 175.17 175.64 2dmi s ASN 49 N -4.30 7.13 -0.37 -0.34 -0.87 -1.26 -4.96 114.94 109.97 2dmi s ASN 49 Ca 0.52 2.29 0.07 0.00 -1.57 0.00 0.00 52.86 54.17 2dmi s ASN 49 Cb -0.10 -2.62 0.44 0.00 -0.02 0.00 0.00 41.25 38.95 2dmi s ASN 49 CO 0.34 -0.30 1.13 0.00 -2.57 0.00 0.00 177.10 175.71 2dmi n HIS 50 N 1.82 2.91 -3.45 2.20 1.44 -1.26 -4.98 115.22 113.89 2dmi n HIS 50 Ca 0.02 -2.71 -0.43 0.00 -2.01 0.00 0.00 57.72 52.59 2dmi n HIS 50 Cb 0.44 -0.21 -0.06 0.00 0.12 0.00 0.00 29.99 30.29 2dmi n HIS 50 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2dmi s GLU 51 N -3.55 2.90 -0.37 -1.40 2.02 -1.26 -4.89 118.70 112.15 2dmi s GLU 51 Ca 0.47 -2.01 0.06 0.00 0.02 0.00 0.00 54.97 53.51 2dmi s GLU 51 Cb 0.40 -4.13 0.52 0.00 0.10 0.00 0.00 34.13 31.02 2dmi s GLU 51 CO -0.08 -1.25 1.56 2.41 0.02 0.00 0.00 175.26 177.92 2dmi n THR 52 N 4.60 2.79 -1.67 3.63 -1.04 -1.26 -5.03 114.28 116.31 2dmi n THR 52 Ca -0.02 -2.90 -0.47 0.00 -2.04 0.00 0.00 64.05 58.62 2dmi n THR 52 Cb 0.42 -0.57 -0.04 0.00 -1.82 0.00 0.00 70.33 68.31 2dmi n THR 52 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2dmi n ASP 53 N -1.04 3.03 -4.84 8.00 -0.08 -1.26 -4.96 116.55 115.39 2dmi n ASP 53 Ca 0.43 1.07 -0.37 0.00 -1.51 0.00 0.00 54.79 54.40 2dmi n ASP 53 Cb 1.07 -1.39 -0.06 0.00 2.34 0.00 0.00 41.12 43.07 2dmi n ASP 53 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2dmi s ASN 54 N 1.47 6.76 -0.36 1.67 2.47 -1.26 -5.07 114.94 120.62 2dmi s ASN 54 Ca 0.82 0.91 -0.06 0.00 0.42 0.00 0.00 52.86 54.95 2dmi s ASN 54 Cb -0.71 -2.23 0.06 0.00 -1.45 0.00 0.00 41.25 36.92 2dmi s ASN 54 CO 0.41 0.29 0.14 0.54 -3.72 0.00 0.00 177.10 174.76 2dmi s ASN 55 N -1.24 5.32 -0.72 -4.21 4.22 -1.26 -5.03 114.94 112.02 2dmi s ASN 55 Ca 0.26 -1.35 -0.37 0.00 -2.14 0.00 0.00 52.86 49.26 2dmi s ASN 55 Cb -0.16 -1.87 -0.20 0.00 1.28 0.00 0.00 41.25 40.30 2dmi s ASN 55 CO 0.14 -0.39 2.36 -0.46 -2.04 0.00 0.00 177.10 176.71 2dmi n ASN 56 N 4.78 0.52 0.00 3.54 0.23 -1.26 -4.73 115.26 118.35 2dmi n ASN 56 Ca -0.11 0.44 0.07 0.00 -0.53 0.00 0.00 54.58 54.45 2dmi n ASN 56 Cb 0.44 -0.89 0.36 0.00 -2.08 0.00 0.00 39.78 37.60 2dmi n ASN 56 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2dmi n PRO 57 N 7.84 0.16 -3.48 -0.53 -0.04 -1.26 -4.28 135.00 133.40 2dmi n PRO 57 Ca 0.59 0.17 -0.43 0.00 -0.04 0.00 0.00 63.50 63.80 2dmi n PRO 57 Cb -0.01 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.90 2dmi n PRO 57 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2dmi s LYS 58 N -2.68 3.23 -0.67 0.54 -2.85 -1.26 -4.90 119.74 111.14 2dmi s LYS 58 Ca 0.12 -2.52 -0.01 0.00 -1.00 0.00 0.00 55.97 52.56 2dmi s LYS 58 Cb 0.10 -4.17 0.44 0.00 -2.06 0.00 0.00 37.83 32.14 2dmi s LYS 58 CO 0.24 -1.25 1.97 0.54 0.10 0.00 0.00 175.35 176.95 2dmi n ARG 59 N 3.74 2.77 -3.67 1.78 1.74 -1.26 -4.88 116.66 116.88 2dmi n ARG 59 Ca 0.12 -3.39 -0.29 0.00 -0.77 0.00 0.00 57.85 53.52 2dmi n ARG 59 Cb 0.43 -2.29 -0.05 0.00 -1.02 0.00 0.00 32.46 29.53 2dmi n ARG 59 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2dmi n TRP 60 N -0.85 -1.11 -3.95 -1.55 2.14 -1.26 -4.87 117.44 105.99 2dmi n TRP 60 Ca 0.60 0.46 -0.28 0.00 2.07 0.00 0.00 57.50 60.36 2dmi n TRP 60 Cb 0.62 -1.41 -0.04 0.00 -0.81 0.00 0.00 31.31 29.67 2dmi n TRP 60 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 2dmi s SER 61 N -2.64 6.25 0.29 -0.67 1.04 -1.26 -5.07 113.70 111.64 2dmi s SER 61 Ca 0.56 0.17 -0.29 0.00 0.48 0.00 0.00 55.95 56.86 2dmi s SER 61 Cb -0.33 -1.87 -0.10 0.00 0.10 0.00 0.00 66.02 63.82 2dmi s SER 61 CO 0.69 0.09 1.39 -1.59 0.98 0.00 0.00 173.24 174.80 2dmi s LYS 62 N -2.99 4.29 0.00 4.02 0.00 -1.26 -5.02 119.74 118.78 2dmi s LYS 62 Ca 0.34 2.28 0.00 0.00 0.00 0.00 0.00 55.97 58.60 2dmi s LYS 62 Cb -0.12 -3.09 0.00 0.00 0.00 0.00 0.00 37.83 34.63 2dmi s LYS 62 CO 0.28 -0.34 0.00 -0.35 0.00 0.00 0.00 175.35 174.94 2dmi n PRO 63 N 1.66 0.01 -4.21 1.78 -0.04 -1.26 -5.09 135.00 127.85 2dmi n PRO 63 Ca 0.04 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.21 2dmi n PRO 63 Cb 0.41 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.84 2dmi n PRO 63 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2dmi n ARG 64 N -0.74 0.71 -4.03 0.54 0.00 -1.26 -5.16 116.66 106.72 2dmi n ARG 64 Ca 0.00 -3.59 -0.26 0.00 -0.00 0.00 0.00 57.85 54.00 2dmi n ARG 64 Cb 0.00 0.63 -0.03 0.00 -0.00 0.00 0.00 32.46 33.06 2dmi n ARG 64 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2dmi s LYS 65 N -4.10 2.26 0.38 2.89 3.01 -1.26 -5.16 119.74 117.77 2dmi s LYS 65 Ca 0.18 -2.00 0.04 0.00 -1.01 0.00 0.00 55.97 53.18 2dmi s LYS 65 Cb -0.01 -2.02 -0.05 0.00 -1.01 0.00 0.00 37.83 34.73 2dmi s LYS 65 CO 0.12 -0.45 0.06 -0.98 0.51 0.00 0.00 175.35 174.61 2dmi s ARG 66 N -4.14 1.83 0.25 1.68 1.70 -1.26 -5.17 118.95 113.84 2dmi s ARG 66 Ca 0.33 -2.06 -0.21 0.00 -0.47 0.00 0.00 55.73 53.31 2dmi s ARG 66 Cb -0.01 -1.03 0.06 0.00 -0.57 0.00 0.00 34.95 33.40 2dmi s ARG 66 CO 0.19 -0.25 0.90 -1.12 -1.08 0.00 0.00 175.30 173.95 2dmi s SER 67 N -3.60 -0.09 -0.20 -2.89 0.01 -1.26 -5.06 113.70 100.61 2dmi s SER 67 Ca 0.30 -0.72 0.13 0.00 1.31 0.00 0.00 55.95 56.97 2dmi s SER 67 Cb 0.07 0.63 -0.22 0.00 0.21 0.00 0.00 66.02 66.71 2dmi s SER 67 CO 0.14 -1.22 -0.00 0.00 0.41 0.00 0.00 173.24 172.57 2dmi n LEU 68 N -0.55 0.71 -3.97 2.44 -0.00 -1.26 -5.00 117.00 109.37 2dmi n LEU 68 Ca -0.05 -0.03 -0.27 0.00 -0.00 0.00 0.00 56.01 55.65 2dmi n LEU 68 Cb 0.60 0.15 -0.06 0.00 -0.00 0.00 0.00 43.42 44.11 2dmi n LEU 68 CO 0.19 0.58 -0.34 -0.11 -0.00 0.00 0.00 177.39 177.71 2dmi n LEU 69 N -2.83 -0.66 -3.83 1.47 7.94 -1.26 -4.84 117.00 113.00 2dmi n LEU 69 Ca -0.34 -1.03 -0.35 0.00 -1.11 0.00 0.00 56.01 53.18 2dmi n LEU 69 Cb 1.08 -1.28 -0.05 0.00 0.53 0.00 0.00 43.42 43.71 2dmi n LEU 69 CO 0.37 0.43 0.49 -1.84 -1.11 0.00 0.00 177.39 175.72 2dmi n GLU 70 N -3.95 3.16 -0.93 1.96 0.28 -1.26 -5.07 120.64 114.82 2dmi n GLU 70 Ca -0.24 -4.58 -0.29 0.00 -0.16 0.00 0.00 57.16 51.90 2dmi n GLU 70 Cb 0.54 -2.39 0.21 0.00 1.43 0.00 0.00 31.44 31.24 2dmi n GLU 70 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2dmi s MET 71 N -2.22 -0.40 0.47 3.44 -1.94 -1.26 -5.08 119.30 112.32 2dmi s MET 71 Ca 0.33 0.50 0.02 0.00 -1.71 0.00 0.00 55.69 54.84 2dmi s MET 71 Cb 0.05 -1.64 -0.02 0.00 2.01 0.00 0.00 34.83 35.23 2dmi s MET 71 CO -0.01 -3.29 0.04 -1.83 -0.01 0.00 0.00 175.02 169.92 2dmi s GLU 72 N -4.86 2.10 0.00 2.03 -1.05 -1.26 -5.17 118.70 110.49 2dmi s GLU 72 Ca 0.67 -2.32 0.00 0.00 -0.15 0.00 0.00 54.97 53.17 2dmi s GLU 72 Cb -0.19 -1.23 0.00 0.00 -0.44 0.00 0.00 34.13 32.26 2dmi s GLU 72 CO 0.60 -0.39 0.00 0.41 0.95 0.00 0.00 175.26 176.83 2dmi n GLY 73 N -1.14 3.80 2.71 -3.83 0.00 -1.26 -5.14 105.19 100.34 2dmi n GLY 73 Ca -0.14 -1.73 -0.21 0.00 0.00 0.00 0.00 46.02 43.94 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 4.19 0.03 -1.58 1.61 1.02 -1.26 -4.87 119.74 118.87 2dmi s LYS 74 Ca 0.00 0.27 -0.20 0.00 0.02 0.00 0.00 55.97 56.06 2dmi s LYS 74 Cb 0.00 -0.93 0.20 0.00 -0.52 0.00 0.00 37.83 36.58 2dmi s LYS 74 CO 0.00 -0.47 0.50 -1.91 -0.92 0.00 0.00 175.35 172.55 2dmi n GLU 75 N 5.30 -1.01 -0.53 1.68 2.13 -1.26 -4.73 120.64 122.22 2dmi n GLU 75 Ca -0.05 0.12 -0.06 0.00 0.66 0.00 0.00 57.16 57.83 2dmi n GLU 75 Cb 0.50 -4.52 0.02 0.00 0.27 0.00 0.00 31.44 27.70 2dmi n GLU 75 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2dmi n ASP 76 N -2.22 5.00 -4.11 4.31 2.03 -1.26 -4.71 116.55 115.59 2dmi n ASP 76 Ca 0.10 -2.56 -0.37 0.00 0.52 0.00 0.00 54.79 52.48 2dmi n ASP 76 Cb 0.44 -0.94 -0.10 0.00 -0.72 0.00 0.00 41.12 39.80 2dmi n ASP 76 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dmi s ALA 77 N -0.68 3.50 0.00 -1.67 0.00 -1.26 -4.96 121.76 116.68 2dmi s ALA 77 Ca 0.12 -3.07 -0.04 0.00 0.00 0.00 0.00 51.96 48.97 2dmi s ALA 77 Cb 0.09 -2.64 -0.17 0.00 0.00 0.00 0.00 23.12 20.40 2dmi s ALA 77 CO 0.00 -2.03 2.70 1.04 0.00 0.00 0.00 175.76 177.47 2dmi n GLN 78 N 3.81 1.43 0.00 0.00 1.13 -1.26 -3.14 117.38 119.35 2dmi n GLN 78 Ca 0.05 -0.62 0.00 0.00 -1.94 0.00 0.00 57.00 54.49 2dmi n GLN 78 Cb 0.39 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 29.02 2dmi n GLN 78 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 2dmi n LYS 79 N 2.36 2.38 -4.02 -1.09 2.85 -1.26 -5.11 118.16 114.28 2dmi n LYS 79 Ca 0.27 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.43 2dmi n LYS 79 Cb 0.67 -0.80 -0.07 0.00 -0.65 0.00 0.00 35.03 34.18 2dmi n LYS 79 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2dmi s VAL 80 N -1.54 0.05 -0.13 0.58 0.11 -1.19 -5.15 120.40 113.12 2dmi s VAL 80 Ca 0.00 -1.52 -0.05 0.00 -2.93 0.00 0.00 61.98 57.49 2dmi s VAL 80 Cb 0.00 -2.02 -0.04 0.00 -1.53 0.00 0.00 36.38 32.79 2dmi s VAL 80 CO 0.00 -0.21 0.03 -0.76 -3.33 0.00 0.00 175.10 170.84 2dmi s LEU 81 N -3.01 3.72 -0.12 2.54 2.01 -1.25 -4.89 118.68 117.68 2dmi s LEU 81 Ca 0.22 0.13 -0.05 0.00 0.01 0.00 0.00 54.13 54.44 2dmi s LEU 81 Cb 0.03 -1.90 0.06 0.00 0.01 0.00 0.00 46.19 44.40 2dmi s LEU 81 CO 0.04 0.28 0.25 -0.75 1.01 0.00 0.00 176.35 177.18 2dmi s LYS 82 N -0.30 0.13 0.47 1.70 2.20 -1.26 -0.26 119.74 122.43 2dmi s LYS 82 Ca 0.07 0.72 -0.23 0.00 -0.36 0.00 0.00 55.97 56.17 2dmi s LYS 82 Cb -0.12 -0.07 -0.08 0.00 -1.51 0.00 0.00 37.83 36.05 2dmi s LYS 82 CO 0.02 -0.29 1.17 0.00 -0.36 0.00 0.00 175.35 175.89 2dmi n MET 84 N -0.30 0.64 0.30 0.00 1.56 -1.26 -2.26 117.12 115.79 2dmi n MET 84 Ca 0.09 0.13 -0.15 0.00 -0.27 0.00 0.00 57.70 57.50 2dmi n MET 84 Cb 0.42 -1.72 -0.08 0.00 2.15 0.00 0.00 33.22 33.98 2dmi n MET 84 CO 0.00 0.00 0.00 -0.92 -0.73 0.00 0.00 175.97 174.32 2dmi h TYR 85 N 0.00 -0.71 0.00 1.12 5.03 -1.91 -3.39 116.97 117.11 2dmi h TYR 85 Ca -0.21 -0.02 -0.36 0.00 2.58 0.00 0.00 58.73 60.73 2dmi h TYR 85 Cb 1.63 0.23 -0.05 0.00 1.55 0.00 0.00 36.73 40.09 2dmi h TYR 85 CO 0.00 -0.38 -2.09 0.00 -1.32 0.00 0.00 178.16 174.37 2dmi n GLY 87 N 1.32 0.70 3.49 0.00 0.00 -0.96 -5.06 105.19 104.67 2dmi n GLY 87 Ca -0.45 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.63 2.88 0.13 1.61 3.76 -1.25 -4.88 115.29 116.90 2dmi s HIS 88 Ca 0.00 -0.26 -0.24 0.00 -0.15 0.00 0.00 55.06 54.42 2dmi s HIS 88 Cb 0.00 -1.78 -0.07 0.00 1.11 0.00 0.00 32.58 31.83 2dmi s HIS 88 CO 0.00 0.08 0.71 0.45 -0.85 0.00 0.00 174.74 175.14 2dmi s SER 89 N -0.24 7.28 0.02 1.40 0.15 -1.26 -2.10 113.70 118.95 2dmi s SER 89 Ca 0.03 1.52 0.08 0.00 0.70 0.00 0.00 55.95 58.28 2dmi s SER 89 Cb -0.13 -2.46 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 2dmi s SER 89 CO 0.03 0.22 -0.25 -0.36 1.20 0.00 0.00 173.24 174.07 2dmi s PHE 90 N -1.06 2.35 0.09 3.44 0.08 0.64 -4.99 117.98 118.53 2dmi s PHE 90 Ca 0.34 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 57.01 2dmi s PHE 90 Cb -0.22 -1.45 -0.24 0.00 -0.57 0.00 0.00 43.02 40.54 2dmi s PHE 90 CO 0.24 0.07 1.17 1.05 -0.10 0.00 0.00 175.22 177.65 2dmi h GLU 91 N 5.07 0.11 -6.73 0.44 9.09 -1.98 -3.33 114.58 117.25 2dmi h GLU 91 Ca -0.45 -0.18 -0.68 0.00 0.05 0.00 0.00 59.36 58.10 2dmi h GLU 91 Cb 1.13 0.07 -0.19 0.00 -1.65 0.00 0.00 28.75 28.11 2dmi h GLU 91 CO 0.45 1.05 -0.81 -1.54 0.05 0.00 0.00 179.01 178.22 2dmi s SER 92 N -6.84 3.81 0.19 3.06 1.04 -1.26 -4.97 113.70 108.73 2dmi s SER 92 Ca -0.02 -0.57 -0.09 0.00 0.48 0.00 0.00 55.95 55.75 2dmi s SER 92 Cb 0.09 -0.51 0.10 0.00 0.10 0.00 0.00 66.02 65.79 2dmi s SER 92 CO 0.84 0.18 1.70 0.25 0.98 0.00 0.00 173.24 177.20 2dmi h LEU 93 N 3.82 1.01 -1.97 2.42 6.46 -1.99 -2.45 115.31 122.62 2dmi h LEU 93 Ca -0.50 -0.23 0.07 0.00 -0.12 0.00 0.00 57.88 57.10 2dmi h LEU 93 Cb 1.17 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 2dmi h LEU 93 CO 0.45 0.98 0.20 0.06 -0.62 0.00 0.00 178.44 179.52 2dmi h GLN 94 N 0.99 0.04 -0.25 1.25 3.07 -2.00 -1.72 115.11 116.50 2dmi h GLN 94 Ca 0.21 -0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.89 2dmi h GLN 94 Cb 0.37 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.91 2dmi h GLN 94 CO 0.00 0.03 -0.07 -0.44 0.09 0.00 0.00 178.83 178.44 2dmi h ASP 95 N 0.04 0.49 0.06 0.06 3.32 -1.86 0.02 116.42 118.55 2dmi h ASP 95 Ca 0.13 -0.37 0.03 0.00 0.02 0.00 0.00 57.03 56.83 2dmi h ASP 95 Cb 0.48 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 2dmi h ASP 95 CO -0.01 0.75 -0.40 0.25 -1.72 0.00 0.00 179.24 178.12 2dmi h LEU 96 N 0.22 -1.19 0.13 1.55 7.12 -1.26 0.16 115.31 122.03 2dmi h LEU 96 Ca 0.06 0.14 -0.01 0.00 0.13 0.00 0.00 57.88 58.21 2dmi h LEU 96 Cb 0.54 0.46 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 2dmi h LEU 96 CO 0.03 -0.46 -0.06 -1.28 -0.13 0.00 0.00 178.44 176.54 2dmi h SER 97 N -0.59 -0.14 -1.01 1.25 0.87 -1.57 -1.64 113.55 110.72 2dmi h SER 97 Ca 0.04 -0.20 0.25 0.00 -1.23 0.00 0.00 61.79 60.65 2dmi h SER 97 Cb 0.65 0.04 -0.12 0.00 -0.44 0.00 0.00 62.40 62.52 2dmi h SER 97 CO -0.27 0.12 0.60 0.58 -0.53 0.00 0.00 176.83 177.33 2dmi h VAL 98 N -0.41 0.53 -0.12 2.23 2.07 -0.79 0.05 116.25 119.81 2dmi h VAL 98 Ca -0.02 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 2dmi h VAL 98 Cb 0.33 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2dmi h VAL 98 CO 0.03 0.10 -0.26 -0.74 0.02 0.00 0.00 177.57 176.72 2dmi h HIS 99 N 0.57 0.49 -0.79 1.57 -0.00 -0.52 0.64 115.15 117.12 2dmi h HIS 99 Ca 0.64 -0.18 0.16 0.00 -0.00 0.00 0.00 60.37 60.99 2dmi h HIS 99 Cb 1.24 -0.09 -0.10 0.00 -0.00 0.00 0.00 27.41 28.46 2dmi h HIS 99 CO -0.01 0.88 0.32 0.52 -0.00 0.00 0.00 177.93 179.64 2dmi h MET 100 N -0.04 0.44 0.00 5.26 2.07 -0.03 0.53 114.93 123.15 2dmi h MET 100 Ca 0.00 -0.03 -0.00 0.00 -2.07 0.00 0.00 59.70 57.60 2dmi h MET 100 Cb 0.86 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.49 2dmi h MET 100 CO 0.06 0.29 -0.00 0.82 1.07 0.00 0.00 176.91 179.14 2dmi h ILE 101 N 0.45 1.71 -0.93 -1.22 2.04 -1.33 1.40 117.51 119.63 2dmi h ILE 101 Ca 0.44 -2.24 0.27 0.00 1.00 0.00 0.00 64.86 64.33 2dmi h ILE 101 Cb 0.70 3.21 -0.04 0.00 -0.74 0.00 0.00 36.82 39.95 2dmi h ILE 101 CO -0.42 0.57 0.74 0.11 0.00 0.00 0.00 178.15 179.14 2dmi h LYS 102 N -0.98 0.00 -0.00 2.37 1.57 -0.52 0.79 116.57 119.81 2dmi h LYS 102 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dmi h LYS 102 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 2dmi h LYS 102 CO 0.00 0.00 -0.07 0.25 -0.57 0.00 0.00 179.45 179.06 2dmi n THR 103 N -4.02 0.00 -3.77 -0.16 -2.24 0.15 -5.01 114.28 99.22 2dmi n THR 103 Ca 0.19 -0.46 -0.27 0.00 -2.27 0.00 0.00 64.05 61.24 2dmi n THR 103 Cb 1.06 1.02 0.05 0.00 -2.10 0.00 0.00 70.33 70.36 2dmi n THR 103 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2dmi n LYS 104 N -0.63 -6.57 -0.01 -0.78 5.02 0.43 -4.89 118.16 110.73 2dmi n LYS 104 Ca 0.01 0.70 -0.18 0.00 -2.02 0.00 0.00 58.31 56.82 2dmi n LYS 104 Cb 0.05 -5.66 -0.09 0.00 -0.02 0.00 0.00 35.03 29.31 2dmi n LYS 104 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2dmi h HIS 105 N -2.34 0.95 -0.04 2.13 3.86 -0.42 -3.18 115.15 116.10 2dmi h HIS 105 Ca -0.58 -0.45 -0.16 0.00 -1.16 0.00 0.00 60.37 58.02 2dmi h HIS 105 Cb 1.37 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 29.72 2dmi h HIS 105 CO 0.54 1.27 -0.60 0.10 0.86 0.00 0.00 177.93 180.09 2dmi h TYR 106 N 0.35 0.69 0.00 2.45 -0.00 -1.91 -3.08 116.97 115.47 2dmi h TYR 106 Ca -0.07 -0.34 0.00 0.00 -0.00 0.00 0.00 58.73 58.32 2dmi h TYR 106 Cb 1.41 -0.09 0.00 0.00 -0.00 0.00 0.00 36.73 38.05 2dmi h TYR 106 CO 0.10 1.15 0.10 0.94 -0.00 0.00 0.00 178.16 180.45 2dmi n GLN 107 N -4.19 0.12 -1.47 0.10 -0.06 -1.25 -2.10 117.38 108.53 2dmi n GLN 107 Ca -0.09 0.61 -0.30 0.00 -2.00 0.00 0.00 57.00 55.22 2dmi n GLN 107 Cb 0.66 -2.00 0.01 0.00 -4.06 0.00 0.00 30.24 24.85 2dmi n GLN 107 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2dmi n LYS 108 N -2.18 2.43 -3.71 3.69 0.00 -1.17 -4.53 118.16 112.69 2dmi n LYS 108 Ca -0.01 -2.66 -0.30 0.00 0.00 0.00 0.00 58.31 55.34 2dmi n LYS 108 Cb 0.13 -2.10 -0.13 0.00 0.00 0.00 0.00 35.03 32.93 2dmi n LYS 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 2dmi s VAL 109 N -3.40 1.31 -0.54 3.15 -7.23 -0.89 -4.81 120.40 108.00 2dmi s VAL 109 Ca 0.53 -2.40 -0.03 0.00 -1.81 0.00 0.00 61.98 58.27 2dmi s VAL 109 Cb 0.39 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 35.41 2dmi s VAL 109 CO -0.20 -0.87 0.47 -0.24 -0.31 0.00 0.00 175.10 173.94 2dmi n SER 110 N 3.71 -3.44 -4.80 4.85 2.88 -1.26 -5.01 113.62 110.55 2dmi n SER 110 Ca 0.07 -0.22 -0.36 0.00 -1.33 0.00 0.00 58.87 57.03 2dmi n SER 110 Cb 0.35 -2.34 -0.06 0.00 -0.75 0.00 0.00 64.21 61.41 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 -3.21 2.70 0.21 0.46 0.00 -1.26 -5.07 107.32 101.15 2dmi s GLY 111 Ca 0.19 0.37 -0.03 0.00 0.00 0.00 0.00 44.72 45.25 2dmi s GLY 111 CO 0.30 0.77 0.18 -1.55 0.00 0.00 0.00 173.10 172.80 2dmi n PRO 112 N 0.56 -1.39 -3.82 2.90 -0.04 -1.26 -5.10 135.00 126.84 2dmi n PRO 112 Ca 0.01 -0.29 -0.06 0.00 -0.04 0.00 0.00 63.50 63.11 2dmi n PRO 112 Cb 0.51 -0.27 -0.00 0.00 -0.04 0.00 0.00 33.50 33.69 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 -2.00 -0.14 -0.09 3.54 0.01 -1.26 -5.18 113.70 108.57 2dmi s SER 113 Ca 0.12 -0.69 -0.18 0.00 1.31 0.00 0.00 55.95 56.50 2dmi s SER 113 Cb -0.01 0.67 0.04 0.00 0.21 0.00 0.00 66.02 66.93 2dmi s SER 113 CO 0.09 -1.27 0.44 -0.44 0.41 0.00 0.00 173.24 172.47 2dmi s SER 114 N -3.02 -0.40 0.00 2.44 0.01 -1.26 -5.36 113.70 106.11 2dmi s SER 114 Ca 0.14 0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.96 2dmi s SER 114 Cb -0.04 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.82 2dmi s SER 114 CO 0.07 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.97