#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 0.61 0.03 1.61 0.01 -1.26 -5.16 113.70 109.54 2dmi s SER 2 Ca 0.00 -0.64 -0.29 0.00 1.31 0.00 0.00 55.95 56.33 2dmi s SER 2 Cb 0.00 0.09 0.10 0.00 0.21 0.00 0.00 66.02 66.42 2dmi s SER 2 CO 0.00 -0.32 1.08 -0.94 0.41 0.00 0.00 173.24 173.46 2dmi s SER 3 N -1.87 -0.17 0.00 2.44 1.04 -1.26 -5.19 113.70 108.69 2dmi s SER 3 Ca -0.08 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2dmi s SER 3 Cb -0.06 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2dmi s SER 3 CO -0.02 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.23 2dmi n GLY 4 N -0.38 1.29 3.54 7.32 0.00 -1.26 -5.16 105.19 110.53 2dmi n GLY 4 Ca -0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 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 2.00 -0.87 -0.28 1.61 0.01 -1.26 -5.15 113.70 109.75 2dmi s SER 5 Ca 0.00 1.39 -0.13 0.00 1.31 0.00 0.00 55.95 58.53 2dmi s SER 5 Cb 0.00 1.81 0.10 0.00 0.21 0.00 0.00 66.02 68.14 2dmi s SER 5 CO 0.00 -0.22 0.65 -0.44 0.41 0.00 0.00 173.24 173.64 2dmi s SER 6 N 2.47 -1.00 0.00 2.44 0.01 -1.26 -5.00 113.70 111.37 2dmi s SER 6 Ca -0.06 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.70 2dmi s SER 6 Cb -0.10 1.77 0.00 0.00 0.21 0.00 0.00 66.02 67.90 2dmi s SER 6 CO -0.17 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 173.86 2dmi n GLY 7 N 4.85 2.59 2.91 3.44 0.00 -1.26 -4.98 105.19 112.74 2dmi n GLY 7 Ca -0.16 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 1.71 -0.38 1.61 -0.14 -1.26 -4.95 119.74 116.34 2dmi s LYS 8 Ca 0.00 -2.31 0.02 0.00 -1.36 0.00 0.00 55.97 52.32 2dmi s LYS 8 Cb 0.00 -3.07 0.47 0.00 -1.68 0.00 0.00 37.83 33.55 2dmi s LYS 8 CO 0.00 -1.08 1.77 -0.11 -0.76 0.00 0.00 175.35 175.17 2dmi n LEU 9 N 3.47 6.13 -4.79 3.17 -0.00 -1.26 -4.92 117.00 118.80 2dmi n LEU 9 Ca 0.05 -3.26 -0.36 0.00 -0.00 0.00 0.00 56.01 52.44 2dmi n LEU 9 Cb 0.35 -0.82 -0.07 0.00 -0.00 0.00 0.00 43.42 42.88 2dmi n LEU 9 CO 0.29 1.02 -0.20 -0.31 -0.00 0.00 0.00 177.39 178.19 2dmi s TYR 10 N -2.58 3.45 -0.35 1.96 1.51 -1.26 -4.99 117.35 115.10 2dmi s TYR 10 Ca 0.44 0.38 0.04 0.00 -1.01 0.00 0.00 57.07 56.92 2dmi s TYR 10 Cb 0.37 -1.99 0.25 0.00 -0.11 0.00 0.00 41.96 40.48 2dmi s TYR 10 CO 0.06 0.52 1.25 0.41 -1.11 0.00 0.00 175.55 176.69 2dmi n GLY 11 N 2.55 -0.72 2.83 0.71 0.00 -1.26 -5.10 105.19 104.20 2dmi n GLY 11 Ca -0.18 0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2dmi n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmi s SER 12 N -0.42 4.15 0.29 1.61 0.01 -1.26 -5.10 113.70 112.98 2dmi s SER 12 Ca 0.15 -2.26 -0.26 0.00 1.31 0.00 0.00 55.95 54.89 2dmi s SER 12 Cb 0.23 -1.22 -0.15 0.00 0.21 0.00 0.00 66.02 65.09 2dmi s SER 12 CO -0.11 -0.34 0.67 -0.38 0.41 0.00 0.00 173.24 173.50 2dmi n ILE 13 N 4.06 1.87 -0.49 1.44 5.41 -1.26 -4.91 119.36 125.49 2dmi n ILE 13 Ca 0.04 -0.50 -0.22 0.00 1.00 0.00 0.00 62.75 63.06 2dmi n ILE 13 Cb 0.38 -0.47 0.18 0.00 -0.71 0.00 0.00 39.64 39.02 2dmi n ILE 13 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 2dmi n PHE 14 N -0.17 -2.47 -4.07 1.39 7.35 -1.26 -4.98 117.46 113.24 2dmi n PHE 14 Ca 0.13 -0.14 -0.33 0.00 -0.76 0.00 0.00 57.45 56.36 2dmi n PHE 14 Cb 0.32 -1.41 -0.15 0.00 0.35 0.00 0.00 39.48 38.59 2dmi n PHE 14 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2dmi s THR 15 N -2.11 2.22 0.32 -2.13 -4.23 -1.26 -5.09 115.64 103.36 2dmi s THR 15 Ca 0.45 -1.42 -0.13 0.00 -1.18 0.00 0.00 61.69 59.41 2dmi s THR 15 Cb -0.08 -2.21 0.02 0.00 1.34 0.00 0.00 72.50 71.57 2dmi s THR 15 CO 0.42 0.12 0.62 -0.83 -0.54 0.00 0.00 174.62 174.41 2dmi s GLY 16 N 1.17 0.58 -0.02 3.99 0.00 -1.26 -5.18 107.32 106.60 2dmi s GLY 16 Ca -0.05 -0.87 -0.08 0.00 0.00 0.00 0.00 44.72 43.72 2dmi s GLY 16 CO -0.07 -0.51 0.17 0.00 0.00 0.00 0.00 173.10 172.69 2dmi s ALA 17 N -3.28 -0.41 -0.65 3.20 0.00 -1.26 -5.08 121.76 114.28 2dmi s ALA 17 Ca 0.20 0.08 -0.26 0.00 0.00 0.00 0.00 51.96 51.98 2dmi s ALA 17 Cb -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 23.12 22.98 2dmi s ALA 17 CO 0.12 -0.18 2.42 0.43 0.00 0.00 0.00 175.76 178.54 2dmi n SER 18 N 1.81 1.97 -0.20 0.00 7.64 -1.26 -4.80 113.62 118.77 2dmi n SER 18 Ca -0.20 -0.97 -0.02 0.00 1.01 0.00 0.00 58.87 58.69 2dmi n SER 18 Cb 0.56 -1.59 0.05 0.00 -1.01 0.00 0.00 64.21 62.22 2dmi n SER 18 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2dmi h LYS 19 N 16.05 -0.05 -6.11 1.43 6.56 -1.78 -3.42 116.57 129.25 2dmi h LYS 19 Ca -0.12 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 58.94 2dmi h LYS 19 Cb 1.14 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.74 2dmi h LYS 19 CO 1.10 -0.03 -0.53 -0.06 -2.06 0.00 0.00 179.45 177.86 2dmi s PHE 20 N -6.18 2.73 -0.22 -1.35 0.40 -0.32 -5.03 117.98 108.00 2dmi s PHE 20 Ca -0.14 -0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 55.66 2dmi s PHE 20 Cb 0.18 -1.64 0.06 0.00 0.51 0.00 0.00 43.02 42.13 2dmi s PHE 20 CO 0.72 0.33 0.57 1.03 0.70 0.00 0.00 175.22 178.58 2dmi s ARG 21 N -3.86 0.61 -1.18 0.44 0.52 -1.26 -2.64 118.95 111.58 2dmi s ARG 21 Ca 0.38 0.93 -0.11 0.00 -0.52 0.00 0.00 55.73 56.41 2dmi s ARG 21 Cb -0.03 0.18 0.21 0.00 0.52 0.00 0.00 34.95 35.83 2dmi s ARG 21 CO 0.23 -0.12 1.37 0.00 0.02 0.00 0.00 175.30 176.79 2dmi n LYS 23 N 4.31 -0.17 -0.24 0.00 4.81 -1.26 -0.28 118.16 125.33 2dmi n LYS 23 Ca 0.32 1.07 -0.06 0.00 -0.87 0.00 0.00 58.31 58.77 2dmi n LYS 23 Cb 0.41 -1.59 -0.06 0.00 0.02 0.00 0.00 35.03 33.81 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 -5.02 -0.60 -4.30 3.14 9.92 -1.26 -4.55 116.55 113.88 2dmi n ASP 24 Ca 0.07 1.15 -0.19 0.00 -0.53 0.00 0.00 54.79 55.29 2dmi n ASP 24 Cb 0.27 -0.20 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 -2.07 7.13 -4.37 0.00 3.41 -1.26 -4.63 113.62 111.84 2dmi n SER 26 Ca 0.03 -3.51 -0.29 0.00 -0.26 0.00 0.00 58.87 54.85 2dmi n SER 26 Cb 0.49 -1.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.31 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 -3.05 2.28 0.23 7.33 0.00 -1.26 -5.06 121.76 122.23 2dmi s ALA 27 Ca 0.52 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2dmi s ALA 27 Cb 0.41 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2dmi s ALA 27 CO -0.00 0.52 0.12 0.00 0.00 0.00 0.00 175.76 176.39 2dmi s ALA 28 N -1.02 1.43 0.21 0.00 0.00 -1.26 -1.17 121.76 119.95 2dmi s ALA 28 Ca 0.13 -1.78 -0.09 0.00 0.00 0.00 0.00 51.96 50.22 2dmi s ALA 28 Cb -0.10 1.25 -0.01 0.00 0.00 0.00 0.00 23.12 24.25 2dmi s ALA 28 CO 0.05 -0.54 0.34 0.71 0.00 0.00 0.00 175.76 176.33 2dmi s TYR 29 N -3.97 0.57 -0.24 0.00 2.02 -1.08 -4.96 117.35 109.68 2dmi s TYR 29 Ca 0.38 -0.89 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 2dmi s TYR 29 Cb 0.07 -0.06 -0.18 0.00 -0.40 0.00 0.00 41.96 41.39 2dmi s TYR 29 CO 0.13 -0.84 -0.16 -0.40 -1.57 0.00 0.00 175.55 172.72 2dmi n ASP 30 N -0.31 1.98 -4.80 2.29 5.75 -1.26 -1.18 116.55 119.02 2dmi n ASP 30 Ca -0.02 -0.10 -0.32 0.00 -0.01 0.00 0.00 54.79 54.34 2dmi n ASP 30 Cb 0.63 -0.45 -0.06 0.00 -1.03 0.00 0.00 41.12 40.21 2dmi n ASP 30 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2dmi s THR 31 N -2.52 4.77 0.06 2.12 -4.23 -1.26 -4.42 115.64 110.15 2dmi s THR 31 Ca -0.33 -0.53 -0.20 0.00 -1.18 0.00 0.00 61.69 59.44 2dmi s THR 31 Cb 0.09 -3.25 -0.12 0.00 1.34 0.00 0.00 72.50 70.56 2dmi s THR 31 CO 0.62 0.24 1.43 0.25 -0.54 0.00 0.00 174.62 176.62 2dmi h LEU 32 N 3.65 0.37 -1.12 4.79 5.85 -1.99 -2.73 115.31 124.13 2dmi h LEU 32 Ca -0.48 -0.39 0.24 0.00 0.84 0.00 0.00 57.88 58.09 2dmi h LEU 32 Cb 1.17 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.99 2dmi h LEU 32 CO 0.66 0.68 0.62 1.62 -0.34 0.00 0.00 178.44 181.67 2dmi h VAL 33 N 0.06 0.57 -0.10 1.05 3.04 -2.00 0.20 116.25 119.08 2dmi h VAL 33 Ca 0.04 -0.19 -0.05 0.00 -1.01 0.00 0.00 66.70 65.49 2dmi h VAL 33 Cb 0.53 -0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 29.76 2dmi h VAL 33 CO 0.02 0.10 -0.13 -0.33 -1.01 0.00 0.00 177.57 176.23 2dmi h GLU 34 N 0.57 0.26 0.57 4.17 3.07 -1.96 -3.14 114.58 118.12 2dmi h GLU 34 Ca 0.61 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 59.30 2dmi h GLU 34 Cb 1.23 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 29.16 2dmi h GLU 34 CO -0.40 0.70 -0.27 1.25 -1.40 0.00 0.00 179.01 178.89 2dmi h LEU 35 N -0.17 -0.65 -0.79 1.33 5.85 -0.78 -3.17 115.31 116.93 2dmi h LEU 35 Ca 0.01 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.82 2dmi h LEU 35 Cb 0.67 0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.77 2dmi h LEU 35 CO 0.03 -0.46 -0.50 0.71 -0.34 0.00 0.00 178.44 177.88 2dmi h THR 36 N -0.77 0.00 -0.96 1.05 1.35 -0.78 0.18 112.91 112.98 2dmi h THR 36 Ca -0.08 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 65.96 2dmi h THR 36 Cb 0.59 0.00 -0.17 0.00 -1.73 0.00 0.00 68.15 66.84 2dmi h THR 36 CO 0.13 0.00 -0.28 0.52 -0.25 0.00 0.00 175.52 175.64 2dmi n VAL 37 N -4.94 -0.43 0.01 6.82 0.31 -1.19 -0.13 118.33 118.79 2dmi n VAL 37 Ca 0.01 2.21 -0.12 0.00 -0.01 0.00 0.00 64.34 66.43 2dmi n VAL 37 Cb 0.23 -3.02 -0.08 0.00 -0.91 0.00 0.00 33.84 30.06 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 0.02 -0.80 3.52 -0.00 -0.74 0.47 115.15 117.63 2dmi h HIS 38 Ca 0.42 -0.00 0.19 0.00 -0.00 0.00 0.00 60.37 60.98 2dmi h HIS 38 Cb 0.66 -0.01 -0.13 0.00 -0.00 0.00 0.00 27.41 27.94 2dmi h HIS 38 CO -0.77 0.25 0.17 0.52 -0.00 0.00 0.00 177.93 178.10 2dmi h MET 39 N -0.22 0.21 0.00 5.26 2.86 0.19 0.61 114.93 123.85 2dmi h MET 39 Ca 0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2dmi h MET 39 Cb 0.24 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 2dmi h MET 39 CO 0.00 0.14 -0.01 -0.91 1.06 0.00 0.00 176.91 177.19 2dmi h ASN 40 N 0.22 0.00 -0.91 1.22 2.35 -0.91 1.31 115.58 118.86 2dmi h ASN 40 Ca 0.47 -0.01 0.35 0.00 -0.55 0.00 0.00 56.30 56.56 2dmi h ASN 40 Cb 0.86 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.06 2dmi h ASN 40 CO -0.60 0.51 0.39 -0.62 -1.65 0.00 0.00 177.43 175.46 2dmi n GLU 41 N -4.77 -0.06 -0.13 0.81 -0.58 0.17 -1.18 120.64 114.89 2dmi n GLU 41 Ca -0.00 1.28 -0.19 0.00 -0.42 0.00 0.00 57.16 57.82 2dmi n GLU 41 Cb 0.01 -2.23 -0.12 0.00 -0.57 0.00 0.00 31.44 28.53 2dmi n GLU 41 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2dmi n THR 42 N -5.11 1.49 0.00 2.62 -2.24 0.19 -5.04 114.28 106.20 2dmi n THR 42 Ca 0.32 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2dmi n THR 42 Cb 1.07 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 2.18 1.54 3.10 3.38 0.00 0.43 -5.06 105.19 110.76 2dmi n GLY 43 Ca -0.47 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.03 -4.34 1.61 8.25 0.14 -4.66 115.22 114.18 2dmi n HIS 44 Ca 0.00 0.38 -0.18 0.00 -0.26 0.00 0.00 57.72 57.66 2dmi n HIS 44 Cb 0.00 -1.47 -0.10 0.00 1.12 0.00 0.00 29.99 29.55 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 -2.09 1.60 1.29 4.41 2.02 -1.26 -4.15 117.35 119.16 2dmi s TYR 45 Ca 0.43 -1.28 -0.19 0.00 -0.37 0.00 0.00 57.07 55.66 2dmi s TYR 45 Cb -0.02 -0.91 0.30 0.00 -0.40 0.00 0.00 41.96 40.92 2dmi s TYR 45 CO 0.69 -0.42 0.68 0.54 -1.57 0.00 0.00 175.55 175.48 2dmi n ARG 46 N -0.56 -3.67 0.00 -0.62 1.74 -1.26 -4.38 116.66 107.90 2dmi n ARG 46 Ca 0.00 -1.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.00 2dmi n ARG 46 Cb 0.65 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 2dmi n ARG 46 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2dmi n ASP 47 N -4.11 3.92 -0.17 0.55 5.68 -1.24 -4.62 116.55 116.57 2dmi n ASP 47 Ca 0.09 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.41 2dmi n ASP 47 Cb 0.52 0.51 0.09 0.00 -1.14 0.00 0.00 41.12 41.09 2dmi n ASP 47 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2dmi n ASP 48 N -1.53 0.48 -4.60 -1.12 8.00 -1.26 -4.81 116.55 111.70 2dmi n ASP 48 Ca 0.00 -1.95 -0.29 0.00 0.71 0.00 0.00 54.79 53.26 2dmi n ASP 48 Cb 0.28 -0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.23 2dmi n ASP 48 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2dmi s ASN 49 N -1.06 4.52 -0.92 -2.24 2.47 -1.26 -5.07 114.94 111.38 2dmi s ASN 49 Ca 0.08 -0.38 -0.21 0.00 0.42 0.00 0.00 52.86 52.78 2dmi s ASN 49 Cb 0.04 -0.90 0.09 0.00 -1.45 0.00 0.00 41.25 39.04 2dmi s ASN 49 CO 0.06 0.16 1.22 -1.38 -3.72 0.00 0.00 177.10 173.44 2dmi s HIS 50 N -1.35 2.85 -0.43 0.43 -3.43 -1.26 -4.97 115.29 107.13 2dmi s HIS 50 Ca 0.23 -1.07 -0.12 0.00 -0.80 0.00 0.00 55.06 53.30 2dmi s HIS 50 Cb -0.11 -4.43 0.06 0.00 -1.43 0.00 0.00 32.58 26.67 2dmi s HIS 50 CO 0.15 -1.68 0.30 -2.00 -2.00 0.00 0.00 174.74 169.51 2dmi s GLU 51 N 3.70 2.81 -0.52 -0.38 -6.30 -1.26 -4.60 118.70 112.15 2dmi s GLU 51 Ca 0.36 -1.30 -0.07 0.00 -2.50 0.00 0.00 54.97 51.46 2dmi s GLU 51 Cb -0.05 -3.91 0.07 0.00 0.00 0.00 0.00 34.13 30.24 2dmi s GLU 51 CO -0.07 -0.91 0.16 2.41 0.02 0.00 0.00 175.26 176.88 2dmi n THR 52 N 5.05 0.00 -1.85 -1.70 -1.04 -1.26 -4.79 114.28 108.70 2dmi n THR 52 Ca -0.11 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.48 2dmi n THR 52 Cb 0.44 -0.14 -0.02 0.00 -1.82 0.00 0.00 70.33 68.80 2dmi n THR 52 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2dmi s ASP 53 N -2.17 6.45 -0.19 8.00 -1.08 -1.26 -4.94 116.67 121.48 2dmi s ASP 53 Ca 0.23 2.88 -0.11 0.00 -0.52 0.00 0.00 52.55 55.03 2dmi s ASP 53 Cb -0.13 -2.63 -0.08 0.00 -1.46 0.00 0.00 42.92 38.61 2dmi s ASP 53 CO 0.28 -0.85 -0.26 -0.46 0.52 0.00 0.00 175.17 174.40 2dmi n ASN 54 N 2.11 1.46 -4.24 -0.34 6.94 -1.26 -4.98 115.26 114.94 2dmi n ASN 54 Ca 0.07 0.25 -0.33 0.00 -0.02 0.00 0.00 54.58 54.55 2dmi n ASN 54 Cb 0.38 -0.60 -0.16 0.00 -2.36 0.00 0.00 39.78 37.05 2dmi n ASN 54 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2dmi s ASN 55 N -6.71 3.50 -0.34 0.53 2.47 -1.26 -5.10 114.94 108.03 2dmi s ASN 55 Ca -0.27 -0.50 -0.08 0.00 0.42 0.00 0.00 52.86 52.42 2dmi s ASN 55 Cb 0.10 -1.52 0.03 0.00 -1.45 0.00 0.00 41.25 38.40 2dmi s ASN 55 CO 0.35 0.10 0.14 0.20 -3.72 0.00 0.00 177.10 174.17 2dmi s ASN 56 N 0.74 5.46 0.00 -4.21 0.01 -1.26 -4.95 114.94 110.73 2dmi s ASN 56 Ca -0.07 -0.95 0.07 0.00 -0.71 0.00 0.00 52.86 51.20 2dmi s ASN 56 Cb -0.16 -1.94 0.41 0.00 0.41 0.00 0.00 41.25 39.97 2dmi s ASN 56 CO 0.01 -0.31 0.86 -0.81 -1.51 0.00 0.00 177.10 175.34 2dmi n PRO 57 N 4.91 0.48 -4.32 -0.60 -0.04 -1.26 -4.84 135.00 129.33 2dmi n PRO 57 Ca -0.13 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.01 2dmi n PRO 57 Cb 0.46 -1.22 -0.09 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.72 -1.21 -2.61 0.54 4.76 -1.26 -4.84 118.16 112.82 2dmi n LYS 58 Ca 0.05 0.14 -0.12 0.00 -2.87 0.00 0.00 58.31 55.51 2dmi n LYS 58 Cb 0.02 -3.92 0.03 0.00 -1.84 0.00 0.00 35.03 29.32 2dmi n LYS 58 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2dmi n ARG 59 N -4.47 1.91 -0.03 1.97 0.63 -1.26 -4.83 116.66 110.57 2dmi n ARG 59 Ca -0.24 -3.62 -0.05 0.00 -0.92 0.00 0.00 57.85 53.01 2dmi n ARG 59 Cb 0.65 -1.60 -0.03 0.00 0.45 0.00 0.00 32.46 31.93 2dmi n ARG 59 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 2dmi n TRP 60 N -0.31 0.00 -1.91 -0.14 2.14 -1.26 -5.06 117.44 110.89 2dmi n TRP 60 Ca 0.17 0.00 -0.17 0.00 2.07 0.00 0.00 57.50 59.57 2dmi n TRP 60 Cb 0.80 -0.24 0.11 0.00 -0.81 0.00 0.00 31.31 31.16 2dmi n TRP 60 CO 0.00 0.00 0.00 0.43 2.07 0.00 0.00 177.69 180.19 2dmi n SER 61 N -2.89 0.36 -4.85 -0.67 7.64 -1.26 -5.07 113.62 106.87 2dmi n SER 61 Ca -0.12 -1.46 -0.32 0.00 1.01 0.00 0.00 58.87 57.99 2dmi n SER 61 Cb 0.61 -0.55 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 2dmi n SER 61 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2dmi s LYS 62 N -4.54 3.94 0.62 1.43 1.02 -1.26 -5.08 119.74 115.88 2dmi s LYS 62 Ca 0.45 0.75 -0.10 0.00 0.02 0.00 0.00 55.97 57.08 2dmi s LYS 62 Cb -0.02 -2.30 0.16 0.00 -0.52 0.00 0.00 37.83 35.15 2dmi s LYS 62 CO 0.31 -0.06 0.55 -0.35 -0.92 0.00 0.00 175.35 174.88 2dmi n PRO 63 N -1.07 -2.11 -1.24 -1.68 -0.04 -1.26 -4.93 135.00 122.67 2dmi n PRO 63 Ca 0.04 -0.88 -0.39 0.00 -0.04 0.00 0.00 63.50 62.23 2dmi n PRO 63 Cb 0.54 -0.83 0.00 0.00 -0.04 0.00 0.00 33.50 33.17 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 -3.21 0.00 -4.24 0.54 0.63 -1.26 -4.99 116.66 104.14 2dmi n ARG 64 Ca 0.08 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.85 2dmi n ARG 64 Cb 0.30 -0.97 -0.11 0.00 0.45 0.00 0.00 32.46 32.13 2dmi n ARG 64 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2dmi s LYS 65 N -0.97 1.03 -0.06 -0.14 -2.85 -1.26 -5.15 119.74 110.33 2dmi s LYS 65 Ca 0.56 -1.33 -0.00 0.00 -1.00 0.00 0.00 55.97 54.20 2dmi s LYS 65 Cb -0.54 -0.75 -0.03 0.00 -2.06 0.00 0.00 37.83 34.44 2dmi s LYS 65 CO 0.63 0.12 -0.02 0.50 0.10 0.00 0.00 175.35 176.69 2dmi s ARG 66 N -3.16 2.88 0.33 1.78 3.52 -1.26 -5.12 118.95 117.92 2dmi s ARG 66 Ca 0.12 -0.49 -0.02 0.00 -0.13 0.00 0.00 55.73 55.21 2dmi s ARG 66 Cb -0.02 -2.71 0.07 0.00 -1.56 0.00 0.00 34.95 30.73 2dmi s ARG 66 CO 0.02 0.68 0.46 0.43 -0.81 0.00 0.00 175.30 176.07 2dmi n SER 67 N 1.99 0.39 -2.09 -2.12 7.64 -1.26 -4.31 113.62 113.86 2dmi n SER 67 Ca -0.18 -1.38 -0.09 0.00 1.01 0.00 0.00 58.87 58.23 2dmi n SER 67 Cb 0.53 -0.32 -0.01 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.77 -2.29 -3.43 7.99 -1.26 -4.79 117.00 112.45 2dmi n LEU 68 Ca 0.07 0.26 -0.33 0.00 -0.01 0.00 0.00 56.01 56.00 2dmi n LEU 68 Cb 0.24 -1.72 0.08 0.00 -0.11 0.00 0.00 43.42 41.91 2dmi n LEU 68 CO 0.17 -0.20 1.33 -0.11 -1.51 0.00 0.00 177.39 177.06 2dmi n LEU 69 N -2.37 7.39 -2.11 2.23 7.94 -1.26 -4.54 117.00 124.27 2dmi n LEU 69 Ca -0.10 -4.29 -0.27 0.00 -1.11 0.00 0.00 56.01 50.24 2dmi n LEU 69 Cb 0.49 -0.91 0.03 0.00 0.53 0.00 0.00 43.42 43.56 2dmi n LEU 69 CO 0.13 1.50 0.50 -1.84 -1.11 0.00 0.00 177.39 176.57 2dmi n GLU 70 N -0.91 3.38 -0.96 1.96 0.28 -1.26 -5.07 120.64 118.06 2dmi n GLU 70 Ca 0.61 -3.96 -0.31 0.00 -0.16 0.00 0.00 57.16 53.34 2dmi n GLU 70 Cb 0.74 -2.28 -0.00 0.00 1.43 0.00 0.00 31.44 31.33 2dmi n GLU 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dmi n MET 71 N -0.75 0.00 -2.80 3.44 0.00 -1.26 -4.85 117.12 110.90 2dmi n MET 71 Ca 0.49 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.82 2dmi n MET 71 Cb 0.88 -0.73 -0.00 0.00 0.00 0.00 0.00 33.22 33.37 2dmi n MET 71 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2dmi n GLU 72 N 0.97 4.59 0.00 3.17 0.00 -1.26 -4.91 120.64 123.19 2dmi n GLU 72 Ca 0.08 -4.72 0.00 0.00 0.00 0.00 0.00 57.16 52.53 2dmi n GLU 72 Cb 0.29 -2.40 0.00 0.00 0.00 0.00 0.00 31.44 29.33 2dmi n GLU 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dmi n GLY 73 N 0.06 1.01 2.25 -1.84 0.00 -1.26 -5.00 105.19 100.41 2dmi n GLY 73 Ca 0.40 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 2dmi n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dmi n LYS 74 N 0.00 3.26 -3.87 1.61 4.76 -1.26 -4.92 118.16 117.73 2dmi n LYS 74 Ca 0.00 -3.91 -0.32 0.00 -2.87 0.00 0.00 58.31 51.20 2dmi n LYS 74 Cb 0.00 -2.28 -0.06 0.00 -1.84 0.00 0.00 35.03 30.85 2dmi n LYS 74 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2dmi n GLU 75 N -0.72 -0.80 -3.76 1.97 0.00 -1.26 -4.86 120.64 111.21 2dmi n GLU 75 Ca 0.50 0.10 -0.12 0.00 0.00 0.00 0.00 57.16 57.63 2dmi n GLU 75 Cb 0.78 -3.55 -0.12 0.00 0.00 0.00 0.00 31.44 28.54 2dmi n GLU 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2dmi s ASP 76 N -2.92 -0.26 0.00 4.31 -1.08 -1.26 -5.02 116.67 110.44 2dmi s ASP 76 Ca 0.57 0.51 0.00 0.00 -0.52 0.00 0.00 52.55 53.11 2dmi s ASP 76 Cb -0.33 0.46 0.00 0.00 -1.46 0.00 0.00 42.92 41.58 2dmi s ASP 76 CO 0.80 -0.13 0.09 0.00 0.52 0.00 0.00 175.17 176.45 2dmi n ALA 77 N 3.61 1.76 -1.38 3.66 0.00 -1.26 -5.05 120.51 121.85 2dmi n ALA 77 Ca -0.19 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 2dmi n ALA 77 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 2dmi n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2dmi n GLN 78 N -0.65 0.25 -0.62 0.00 6.02 -1.26 -4.79 117.38 116.32 2dmi n GLN 78 Ca 0.00 0.09 -0.10 0.00 -0.01 0.00 0.00 57.00 56.98 2dmi n GLN 78 Cb 0.01 -1.21 0.04 0.00 1.02 0.00 0.00 30.24 30.10 2dmi n GLN 78 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2dmi n LYS 79 N 0.99 1.49 -3.62 -1.09 3.00 -1.26 -4.79 118.16 112.88 2dmi n LYS 79 Ca 0.12 -1.03 -0.10 0.00 -0.00 0.00 0.00 58.31 57.31 2dmi n LYS 79 Cb 0.37 -1.40 -0.07 0.00 0.00 0.00 0.00 35.03 33.94 2dmi n LYS 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2dmi s VAL 80 N -1.37 0.00 -0.34 3.15 0.11 -1.26 -5.11 120.40 115.58 2dmi s VAL 80 Ca 0.20 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.97 2dmi s VAL 80 Cb 0.16 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 2dmi s VAL 80 CO 0.01 0.00 1.98 -0.76 -3.33 0.00 0.00 175.10 173.00 2dmi s LEU 81 N -0.12 3.45 0.09 2.54 1.43 -1.26 -4.95 118.68 119.87 2dmi s LEU 81 Ca 0.01 1.34 0.08 0.00 -1.03 0.00 0.00 54.13 54.53 2dmi s LEU 81 Cb -0.04 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.84 2dmi s LEU 81 CO -0.04 -1.96 -0.20 -0.54 0.23 0.00 0.00 176.35 173.84 2dmi s LYS 82 N 6.24 1.11 0.52 1.70 1.02 -1.26 -1.52 119.74 127.55 2dmi s LYS 82 Ca 0.86 -1.12 -0.19 0.00 0.02 0.00 0.00 55.97 55.55 2dmi s LYS 82 Cb -0.24 -1.34 -0.07 0.00 -0.52 0.00 0.00 37.83 35.67 2dmi s LYS 82 CO 0.32 0.31 1.04 0.00 -0.92 0.00 0.00 175.35 176.10 2dmi n MET 84 N -1.35 0.69 0.00 0.00 0.00 -1.26 -3.12 117.12 112.08 2dmi n MET 84 Ca 0.09 0.24 -0.00 0.00 0.00 0.00 0.00 57.70 58.03 2dmi n MET 84 Cb 0.53 -1.70 -0.00 0.00 0.00 0.00 0.00 33.22 32.04 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 0.03 -0.00 0.02 2.03 5.03 -1.94 -3.41 116.97 118.72 2dmi h TYR 85 Ca -0.40 -0.00 -0.33 0.00 2.58 0.00 0.00 58.73 60.58 2dmi h TYR 85 Cb 2.04 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 40.27 2dmi h TYR 85 CO 0.04 -0.00 -1.85 0.00 -1.32 0.00 0.00 178.16 175.03 2dmi n GLY 87 N 1.51 -0.19 2.97 0.00 0.00 -1.18 -4.98 105.19 103.33 2dmi n GLY 87 Ca -0.40 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.03 1.96 -0.12 1.61 5.04 -1.26 -4.75 115.29 117.74 2dmi s HIS 88 Ca 0.00 -1.11 -0.29 0.00 -1.54 0.00 0.00 55.06 52.12 2dmi s HIS 88 Cb 0.00 -1.47 -0.04 0.00 0.04 0.00 0.00 32.58 31.10 2dmi s HIS 88 CO 0.00 -0.63 1.61 -1.54 -2.34 0.00 0.00 174.74 171.84 2dmi s SER 89 N 1.55 6.60 0.46 9.88 1.04 -1.26 -3.52 113.70 128.44 2dmi s SER 89 Ca 0.04 1.99 0.06 0.00 0.48 0.00 0.00 55.95 58.53 2dmi s SER 89 Cb -0.13 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.43 2dmi s SER 89 CO -0.10 -1.02 0.25 -0.36 0.98 0.00 0.00 173.24 172.99 2dmi s PHE 90 N 4.38 2.30 -0.23 5.02 0.08 -0.58 -5.04 117.98 123.91 2dmi s PHE 90 Ca 0.71 -0.67 -0.10 0.00 0.12 0.00 0.00 56.93 56.99 2dmi s PHE 90 Cb -0.30 -1.95 -0.11 0.00 -0.57 0.00 0.00 43.02 40.10 2dmi s PHE 90 CO 0.28 -0.02 -0.28 0.39 -0.10 0.00 0.00 175.22 175.48 2dmi n GLU 91 N -1.41 0.50 -4.14 0.44 1.02 -1.26 -4.40 120.64 111.39 2dmi n GLU 91 Ca -0.02 0.20 -0.23 0.00 -0.02 0.00 0.00 57.16 57.09 2dmi n GLU 91 Cb 0.64 -1.35 -0.07 0.00 -0.02 0.00 0.00 31.44 30.65 2dmi n GLU 91 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2dmi s SER 92 N -6.95 4.57 0.04 1.62 0.01 -1.26 -4.93 113.70 106.80 2dmi s SER 92 Ca -0.32 -0.84 -0.27 0.00 1.31 0.00 0.00 55.95 55.83 2dmi s SER 92 Cb 0.12 -0.67 -0.17 0.00 0.21 0.00 0.00 66.02 65.51 2dmi s SER 92 CO 0.42 -0.32 1.43 0.25 0.41 0.00 0.00 173.24 175.44 2dmi h LEU 93 N 1.57 -0.38 -0.98 2.44 7.12 -1.99 -2.97 115.31 120.11 2dmi h LEU 93 Ca -0.43 -0.10 0.35 0.00 0.13 0.00 0.00 57.88 57.83 2dmi h LEU 93 Cb 1.25 0.10 -0.18 0.00 -0.53 0.00 0.00 40.66 41.30 2dmi h LEU 93 CO 0.64 -0.12 0.31 1.67 -0.13 0.00 0.00 178.44 180.82 2dmi n GLN 94 N -5.20 -0.07 -0.04 1.25 0.00 -1.26 0.99 117.38 113.05 2dmi n GLN 94 Ca -0.10 1.41 -0.10 0.00 -0.00 0.00 0.00 57.00 58.21 2dmi n GLN 94 Cb 0.25 -2.40 -0.03 0.00 0.00 0.00 0.00 30.24 28.05 2dmi n GLN 94 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 2dmi h ASP 95 N 0.00 0.22 0.55 1.69 3.32 -1.95 -0.24 116.42 120.02 2dmi h ASP 95 Ca 0.73 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.75 2dmi h ASP 95 Cb 1.79 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 41.30 2dmi h ASP 95 CO -0.83 0.16 -0.26 0.25 -1.72 0.00 0.00 179.24 176.83 2dmi h LEU 96 N 0.26 -0.62 0.11 1.55 7.12 0.67 -1.94 115.31 122.45 2dmi h LEU 96 Ca 0.08 -0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.06 2dmi h LEU 96 Cb -0.02 0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 40.23 2dmi h LEU 96 CO -0.02 -0.35 -0.44 0.77 -0.13 0.00 0.00 178.44 178.27 2dmi h SER 97 N -0.88 -1.31 -0.01 1.25 4.64 -1.04 -2.36 113.55 113.83 2dmi h SER 97 Ca -0.08 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2dmi h SER 97 Cb 0.62 0.48 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2dmi h SER 97 CO 0.12 -0.46 -0.02 0.58 -0.87 0.00 0.00 176.83 176.18 2dmi h VAL 98 N -0.63 0.00 -0.64 0.95 2.07 -1.09 -0.31 116.25 116.60 2dmi h VAL 98 Ca -0.01 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.67 2dmi h VAL 98 Cb 0.63 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.28 2dmi h VAL 98 CO -0.23 0.00 -0.05 1.57 0.02 0.00 0.00 177.57 178.88 2dmi n HIS 99 N -2.76 0.34 0.00 1.57 -0.00 -0.73 0.44 115.22 114.08 2dmi n HIS 99 Ca -0.00 0.78 0.00 0.00 -0.00 0.00 0.00 57.72 58.50 2dmi n HIS 99 Cb 0.01 -0.94 0.00 0.00 -0.00 0.00 0.00 29.99 29.06 2dmi n HIS 99 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2dmi n MET 100 N -4.92 0.00 -0.51 1.57 2.00 -0.53 0.18 117.12 114.91 2dmi n MET 100 Ca 0.13 0.42 0.42 0.00 0.00 0.00 0.00 57.70 58.67 2dmi n MET 100 Cb 0.43 -1.30 0.72 0.00 0.00 0.00 0.00 33.22 33.07 2dmi n MET 100 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 2dmi h ILE 101 N 0.00 0.16 0.03 2.02 2.04 0.52 2.08 117.51 124.36 2dmi h ILE 101 Ca 0.00 -0.02 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 2dmi h ILE 101 Cb 0.00 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.19 2dmi h ILE 101 CO 0.00 0.01 -0.42 0.11 0.00 0.00 0.00 178.15 177.85 2dmi h LYS 102 N 0.06 0.23 -0.65 2.37 1.57 0.05 -3.27 116.57 116.92 2dmi h LYS 102 Ca 0.80 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 2dmi h LYS 102 Cb 2.88 0.09 0.00 0.00 0.08 0.00 0.00 32.23 35.28 2dmi h LYS 102 CO -0.19 1.05 0.00 0.25 -0.57 0.00 0.00 179.45 179.99 2dmi n THR 103 N -4.37 1.64 -3.77 -0.16 -2.24 0.17 -4.93 114.28 100.63 2dmi n THR 103 Ca -0.11 -0.94 -0.22 0.00 -2.27 0.00 0.00 64.05 60.50 2dmi n THR 103 Cb 0.61 -0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.67 -0.95 0.05 -0.78 5.02 0.65 -4.78 118.16 118.04 2dmi n LYS 104 Ca 0.20 0.07 -0.15 0.00 -2.02 0.00 0.00 58.31 56.40 2dmi n LYS 104 Cb 0.80 -2.57 -0.14 0.00 -0.02 0.00 0.00 35.03 33.10 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 -0.93 0.37 -0.02 2.13 3.86 -1.80 -3.28 115.15 115.48 2dmi h HIS 105 Ca -0.46 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 58.48 2dmi h HIS 105 Cb 0.98 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.44 2dmi h HIS 105 CO 0.37 1.33 0.00 2.48 0.86 0.00 0.00 177.93 182.98 2dmi n TYR 106 N -3.40 0.02 -0.06 2.45 4.11 -1.26 -3.27 117.16 115.75 2dmi n TYR 106 Ca -0.16 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.90 57.60 2dmi n TYR 106 Cb 1.04 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 40.23 2dmi n TYR 106 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 2dmi n GLN 107 N -0.59 0.68 -0.88 -3.48 6.02 -1.24 -4.31 117.38 113.58 2dmi n GLN 107 Ca 0.09 0.16 -0.13 0.00 -0.01 0.00 0.00 57.00 57.11 2dmi n GLN 107 Cb 0.06 -1.64 -0.01 0.00 1.02 0.00 0.00 30.24 29.67 2dmi n GLN 107 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2dmi n LYS 108 N -3.07 1.68 -3.67 -1.09 4.76 -1.20 -4.82 118.16 110.75 2dmi n LYS 108 Ca -0.30 -1.15 -0.39 0.00 -2.87 0.00 0.00 58.31 53.59 2dmi n LYS 108 Cb 1.07 -1.56 -0.11 0.00 -1.84 0.00 0.00 35.03 32.59 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 -1.19 3.99 0.04 -0.18 -7.23 -1.26 -5.03 120.40 109.53 2dmi s VAL 109 Ca 0.31 -1.35 -0.27 0.00 -1.81 0.00 0.00 61.98 58.85 2dmi s VAL 109 Cb 0.20 -3.40 0.09 0.00 0.56 0.00 0.00 36.38 33.84 2dmi s VAL 109 CO -0.04 -0.40 1.22 -0.94 -0.31 0.00 0.00 175.10 174.63 2dmi s SER 110 N 1.82 -0.01 -0.20 4.85 1.04 -1.26 -5.15 113.70 114.79 2dmi s SER 110 Ca 0.02 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.12 2dmi s SER 110 Cb -0.22 0.24 -0.00 0.00 0.10 0.00 0.00 66.02 66.14 2dmi s SER 110 CO 0.02 -0.47 -0.10 -0.83 0.98 0.00 0.00 173.24 172.84 2dmi s GLY 111 N -3.53 1.54 1.13 7.32 0.00 -1.26 -5.12 107.32 107.40 2dmi s GLY 111 Ca 0.24 -1.16 -0.19 0.00 0.00 0.00 0.00 44.72 43.62 2dmi s GLY 111 CO 0.00 0.33 1.01 -1.55 0.00 0.00 0.00 173.10 172.89 2dmi n PRO 112 N 4.63 -2.98 -3.65 2.90 -0.04 -1.26 -5.10 135.00 129.50 2dmi n PRO 112 Ca -0.19 -1.61 -0.00 0.00 -0.04 0.00 0.00 63.50 61.66 2dmi n PRO 112 Cb 0.51 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 2dmi n PRO 112 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmi s SER 113 N -4.21 -0.26 0.34 3.54 0.15 -1.26 -5.19 113.70 106.81 2dmi s SER 113 Ca 0.65 0.42 -0.07 0.00 0.70 0.00 0.00 55.95 57.65 2dmi s SER 113 Cb -0.06 1.05 0.01 0.00 -1.71 0.00 0.00 66.02 65.31 2dmi s SER 113 CO 0.50 -0.07 0.55 -0.55 1.20 0.00 0.00 173.24 174.87 2dmi s SER 114 N 1.08 0.60 0.00 5.45 0.15 -1.26 -5.36 113.70 114.36 2dmi s SER 114 Ca -0.07 -1.35 0.09 0.00 0.70 0.00 0.00 55.95 55.31 2dmi s SER 114 Cb -0.03 0.70 0.07 0.00 -1.71 0.00 0.00 66.02 65.04 2dmi s SER 114 CO -0.12 -1.37 0.77 0.61 1.20 0.00 0.00 173.24 174.33