#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 -0.36 0.49 1.61 1.04 -1.26 -5.17 113.70 110.06 2dmi s SER 2 Ca 0.00 1.04 0.02 0.00 0.48 0.00 0.00 55.95 57.49 2dmi s SER 2 Cb 0.00 1.38 -0.02 0.00 0.10 0.00 0.00 66.02 67.47 2dmi s SER 2 CO 0.00 -0.23 0.01 -0.94 0.98 0.00 0.00 173.24 173.06 2dmi s SER 3 N 2.51 4.03 0.00 7.02 1.04 -1.26 -5.17 113.70 121.88 2dmi s SER 3 Ca -0.03 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 54.79 2dmi s SER 3 Cb -0.12 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2dmi s SER 3 CO -0.13 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2dmi n GLY 4 N -1.21 5.85 3.59 7.32 0.00 -1.26 -5.18 105.19 114.31 2dmi n GLY 4 Ca -0.17 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 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 1.00 -0.32 0.32 1.61 0.15 -1.26 -5.19 113.70 110.01 2dmi s SER 5 Ca 0.00 0.39 -0.17 0.00 0.70 0.00 0.00 55.95 56.87 2dmi s SER 5 Cb 0.00 0.32 0.03 0.00 -1.71 0.00 0.00 66.02 64.66 2dmi s SER 5 CO 0.00 -0.27 0.71 -0.44 1.20 0.00 0.00 173.24 174.44 2dmi s SER 6 N -0.92 -0.08 0.12 5.45 0.01 -1.26 -5.19 113.70 111.83 2dmi s SER 6 Ca 0.01 -0.89 -0.10 0.00 1.31 0.00 0.00 55.95 56.27 2dmi s SER 6 Cb -0.01 0.76 0.04 0.00 0.21 0.00 0.00 66.02 67.01 2dmi s SER 6 CO -0.01 -1.46 0.48 0.61 0.41 0.00 0.00 173.24 173.27 2dmi n GLY 7 N -0.49 1.09 3.63 3.44 0.00 -1.26 -5.17 105.19 106.44 2dmi n GLY 7 Ca -0.05 -1.06 -0.03 0.00 0.00 0.00 0.00 46.02 44.88 2dmi n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dmi s LYS 8 N -2.03 0.48 -0.07 1.61 -2.85 -1.26 -5.16 119.74 110.46 2dmi s LYS 8 Ca 0.10 0.84 0.05 0.00 -1.00 0.00 0.00 55.97 55.96 2dmi s LYS 8 Cb -0.02 0.13 -0.01 0.00 -2.06 0.00 0.00 37.83 35.87 2dmi s LYS 8 CO 0.03 -0.10 -0.21 -0.51 0.10 0.00 0.00 175.35 174.66 2dmi s LEU 9 N 1.51 2.31 0.34 2.77 1.02 -1.26 -5.13 118.68 120.24 2dmi s LEU 9 Ca -0.09 -0.42 -0.10 0.00 0.02 0.00 0.00 54.13 53.54 2dmi s LEU 9 Cb -0.04 -1.45 -0.07 0.00 0.02 0.00 0.00 46.19 44.65 2dmi s LEU 9 CO -0.17 0.25 0.69 -0.31 0.02 0.00 0.00 176.35 176.84 2dmi s TYR 10 N -0.20 3.44 0.00 0.29 1.51 -1.26 -5.10 117.35 116.04 2dmi s TYR 10 Ca -0.02 0.99 0.00 0.00 -1.01 0.00 0.00 57.07 57.03 2dmi s TYR 10 Cb -0.13 -2.38 0.00 0.00 -0.11 0.00 0.00 41.96 39.34 2dmi s TYR 10 CO 0.03 0.04 0.00 0.41 -1.11 0.00 0.00 175.55 174.93 2dmi n GLY 11 N -0.84 6.41 3.64 0.71 0.00 -1.26 -5.16 105.19 108.70 2dmi n GLY 11 Ca 0.02 -2.06 -0.04 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.06 -0.14 1.61 0.01 -1.26 -5.16 113.70 108.12 2dmi s SER 12 Ca 0.00 1.55 -0.10 0.00 1.31 0.00 0.00 55.95 58.71 2dmi s SER 12 Cb 0.00 1.90 -0.05 0.00 0.21 0.00 0.00 66.02 68.09 2dmi s SER 12 CO 0.00 -0.23 0.19 -0.63 0.41 0.00 0.00 173.24 172.98 2dmi s ILE 13 N 2.35 5.39 -0.08 1.44 1.01 -1.26 -5.09 121.20 124.96 2dmi s ILE 13 Ca -0.08 0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.92 2dmi s ILE 13 Cb -0.09 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 38.90 2dmi s ILE 13 CO -0.19 0.51 -0.14 -0.36 0.00 0.00 0.00 174.94 174.76 2dmi s PHE 14 N -0.27 1.67 -0.45 3.97 0.40 -1.26 -5.03 117.98 117.01 2dmi s PHE 14 Ca 0.14 -0.67 0.03 0.00 -0.60 0.00 0.00 56.93 55.83 2dmi s PHE 14 Cb -0.12 -1.21 0.46 0.00 0.51 0.00 0.00 43.02 42.65 2dmi s PHE 14 CO 0.03 -0.34 1.56 2.41 0.70 0.00 0.00 175.22 179.57 2dmi n THR 15 N 3.93 3.00 -1.66 0.64 -1.04 -1.26 -5.04 114.28 112.84 2dmi n THR 15 Ca -0.21 -3.63 -0.63 0.00 -2.04 0.00 0.00 64.05 57.54 2dmi n THR 15 Cb 0.52 -1.12 -0.09 0.00 -1.82 0.00 0.00 70.33 67.81 2dmi n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dmi n GLY 16 N -0.81 0.14 3.46 3.41 0.00 -1.26 -4.93 105.19 105.20 2dmi n GLY 16 Ca 0.52 0.91 -0.12 0.00 0.00 0.00 0.00 46.02 47.33 2dmi n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmi s ALA 17 N 2.04 -1.68 -0.23 4.61 0.00 -1.26 -5.18 121.76 120.06 2dmi s ALA 17 Ca 0.99 0.76 -0.18 0.00 0.00 0.00 0.00 51.96 53.52 2dmi s ALA 17 Cb -1.36 0.60 0.06 0.00 0.00 0.00 0.00 23.12 22.43 2dmi s ALA 17 CO 0.71 -0.68 0.60 0.45 0.00 0.00 0.00 175.76 176.84 2dmi s SER 18 N -2.40 -0.69 0.03 0.00 0.15 -1.26 -4.99 113.70 104.55 2dmi s SER 18 Ca -0.00 1.24 -0.20 0.00 0.70 0.00 0.00 55.95 57.69 2dmi s SER 18 Cb -0.01 1.21 -0.16 0.00 -1.71 0.00 0.00 66.02 65.35 2dmi s SER 18 CO -0.08 -0.21 1.27 0.11 1.20 0.00 0.00 173.24 175.52 2dmi h LYS 19 N 5.83 0.40 -6.33 5.44 6.56 -1.77 -3.45 116.57 123.24 2dmi h LYS 19 Ca -0.30 -0.27 -0.60 0.00 -1.06 0.00 0.00 60.65 58.42 2dmi h LYS 19 Cb 1.18 0.04 -0.11 0.00 -0.57 0.00 0.00 32.23 32.77 2dmi h LYS 19 CO 0.15 0.87 -0.66 -0.06 -2.06 0.00 0.00 179.45 177.70 2dmi s PHE 20 N -3.96 2.85 -0.11 -1.35 0.40 -0.40 -5.04 117.98 110.37 2dmi s PHE 20 Ca -0.14 -0.14 -0.05 0.00 -0.60 0.00 0.00 56.93 56.00 2dmi s PHE 20 Cb 0.05 -1.37 0.05 0.00 0.51 0.00 0.00 43.02 42.25 2dmi s PHE 20 CO 0.78 0.52 0.24 1.03 0.70 0.00 0.00 175.22 178.49 2dmi s ARG 21 N -2.97 0.19 -1.12 0.44 0.52 -1.26 -2.21 118.95 112.54 2dmi s ARG 21 Ca 0.28 0.55 -0.18 0.00 -0.52 0.00 0.00 55.73 55.86 2dmi s ARG 21 Cb -0.09 -0.12 0.11 0.00 0.52 0.00 0.00 34.95 35.37 2dmi s ARG 21 CO 0.19 -0.18 1.43 0.00 0.02 0.00 0.00 175.30 176.76 2dmi n LYS 23 N 7.22 -0.21 0.00 0.00 3.00 -1.21 -1.36 118.16 125.60 2dmi n LYS 23 Ca 0.36 1.08 0.00 0.00 -0.00 0.00 0.00 58.31 59.75 2dmi n LYS 23 Cb 0.47 -1.60 0.00 0.00 0.00 0.00 0.00 35.03 33.90 2dmi n LYS 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2dmi n ASP 24 N -4.99 0.00 -4.53 3.14 -0.08 -1.25 -4.60 116.55 104.24 2dmi n ASP 24 Ca 0.06 0.63 -0.25 0.00 -1.51 0.00 0.00 54.79 53.71 2dmi n ASP 24 Cb 0.25 -0.23 0.13 0.00 2.34 0.00 0.00 41.12 43.62 2dmi n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dmi n SER 26 N -3.04 6.28 -4.69 0.00 7.64 -1.26 -4.63 113.62 113.92 2dmi n SER 26 Ca 0.16 -3.52 -0.24 0.00 1.01 0.00 0.00 58.87 56.29 2dmi n SER 26 Cb 0.61 -0.94 -0.07 0.00 -1.01 0.00 0.00 64.21 62.79 2dmi n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dmi s ALA 27 N -3.12 3.37 0.11 -0.43 0.00 -1.26 -5.06 121.76 115.37 2dmi s ALA 27 Ca 0.53 -1.89 -0.08 0.00 0.00 0.00 0.00 51.96 50.52 2dmi s ALA 27 Cb 0.43 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 2dmi s ALA 27 CO 0.02 0.05 0.19 0.00 0.00 0.00 0.00 175.76 176.02 2dmi s ALA 28 N -2.47 -0.05 0.01 0.00 0.00 -1.26 -2.03 121.76 115.96 2dmi s ALA 28 Ca 0.36 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 2dmi s ALA 28 Cb -0.01 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 2dmi s ALA 28 CO 0.21 -0.54 0.02 0.71 0.00 0.00 0.00 175.76 176.16 2dmi s TYR 29 N -3.91 0.18 0.06 0.00 2.02 -0.94 -4.97 117.35 109.80 2dmi s TYR 29 Ca 0.10 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.25 2dmi s TYR 29 Cb 0.05 -0.14 -0.20 0.00 -0.40 0.00 0.00 41.96 41.26 2dmi s TYR 29 CO -0.07 -0.21 1.21 0.22 -1.57 0.00 0.00 175.55 175.13 2dmi h ASP 30 N 4.62 0.77 -2.67 2.29 1.82 -1.94 -1.06 116.42 120.24 2dmi h ASP 30 Ca -0.31 -0.69 -0.59 0.00 -0.39 0.00 0.00 57.03 55.04 2dmi h ASP 30 Cb 1.21 -0.23 -0.11 0.00 0.68 0.00 0.00 39.33 40.88 2dmi h ASP 30 CO 0.41 1.35 -0.65 0.42 -1.61 0.00 0.00 179.24 179.16 2dmi s THR 31 N -3.48 3.66 0.01 2.25 -4.23 -1.26 -4.37 115.64 108.22 2dmi s THR 31 Ca -0.11 -1.56 -0.22 0.00 -1.18 0.00 0.00 61.69 58.62 2dmi s THR 31 Cb 0.06 -2.88 -0.18 0.00 1.34 0.00 0.00 72.50 70.85 2dmi s THR 31 CO 0.87 -0.19 1.24 0.25 -0.54 0.00 0.00 174.62 176.25 2dmi h LEU 32 N 2.44 0.33 -1.74 4.79 5.85 -2.00 -3.03 115.31 121.95 2dmi h LEU 32 Ca -0.46 -0.58 0.27 0.00 0.84 0.00 0.00 57.88 57.95 2dmi h LEU 32 Cb 1.22 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 2dmi h LEU 32 CO 0.58 0.85 0.69 1.62 -0.34 0.00 0.00 178.44 181.84 2dmi h VAL 33 N -0.18 0.53 0.01 1.05 3.04 -2.00 0.57 116.25 119.28 2dmi h VAL 33 Ca -0.00 -0.06 -0.19 0.00 -1.01 0.00 0.00 66.70 65.44 2dmi h VAL 33 Cb 0.80 0.34 -0.02 0.00 -2.01 0.00 0.00 31.29 30.40 2dmi h VAL 33 CO 0.04 0.03 -0.87 -0.33 -1.01 0.00 0.00 177.57 175.44 2dmi h GLU 34 N 0.18 0.10 0.01 4.17 4.39 -1.97 -3.26 114.58 118.20 2dmi h GLU 34 Ca 0.51 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 60.07 2dmi h GLU 34 Cb 1.69 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 2dmi h GLU 34 CO -0.12 0.90 -0.12 1.25 -1.16 0.00 0.00 179.01 179.76 2dmi h LEU 35 N 0.05 0.08 -0.25 1.33 5.85 0.07 -3.34 115.31 119.11 2dmi h LEU 35 Ca -0.03 -0.90 0.03 0.00 0.84 0.00 0.00 57.88 57.82 2dmi h LEU 35 Cb 1.51 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.47 2dmi h LEU 35 CO 0.12 0.98 -0.22 0.71 -0.34 0.00 0.00 178.44 179.69 2dmi h THR 36 N -0.79 0.00 -0.87 1.05 1.35 -0.65 0.21 112.91 113.21 2dmi h THR 36 Ca -0.02 0.00 0.34 0.00 -0.55 0.00 0.00 66.41 66.18 2dmi h THR 36 Cb 1.01 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 67.27 2dmi h THR 36 CO 0.02 0.00 0.37 0.55 -0.25 0.00 0.00 175.52 176.21 2dmi n VAL 37 N -3.79 -0.37 -0.04 6.82 3.14 -1.23 0.18 118.33 123.04 2dmi n VAL 37 Ca -0.01 1.80 -0.16 0.00 -2.96 0.00 0.00 64.34 63.02 2dmi n VAL 37 Cb 0.12 -2.86 -0.07 0.00 -1.06 0.00 0.00 33.84 29.97 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 0.85 -0.11 1.45 -0.00 -0.84 -1.63 115.15 114.87 2dmi h HIS 38 Ca 0.69 -0.35 0.01 0.00 -0.00 0.00 0.00 60.37 60.72 2dmi h HIS 38 Cb 1.77 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 29.03 2dmi h HIS 38 CO -0.11 1.14 0.06 0.52 -0.00 0.00 0.00 177.93 179.54 2dmi h MET 39 N 0.32 0.12 -0.04 5.26 2.86 0.44 -0.81 114.93 123.08 2dmi h MET 39 Ca -0.02 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2dmi h MET 39 Cb 1.16 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 2dmi h MET 39 CO 0.11 0.08 0.01 -0.91 1.06 0.00 0.00 176.91 177.26 2dmi h ASN 40 N 0.12 0.06 0.09 1.22 2.35 -0.93 1.83 115.58 120.33 2dmi h ASN 40 Ca 0.04 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2dmi h ASN 40 Cb 0.00 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2dmi h ASN 40 CO -0.03 0.30 -0.16 -0.33 -1.65 0.00 0.00 177.43 175.57 2dmi h GLU 41 N -0.18 -0.26 -0.03 0.81 5.08 -1.18 -3.27 114.58 115.55 2dmi h GLU 41 Ca 0.01 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2dmi h GLU 41 Cb 0.27 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2dmi h GLU 41 CO 0.00 -0.17 -0.08 1.79 -1.00 0.00 0.00 179.01 179.55 2dmi h THR 42 N -0.27 1.46 0.00 1.13 1.35 -1.23 -3.48 112.91 111.87 2dmi h THR 42 Ca -0.01 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 2dmi h THR 42 Cb 0.25 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 2dmi h THR 42 CO -0.05 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 2dmi n GLY 43 N 0.55 1.95 1.81 5.82 0.00 0.60 -5.06 105.19 110.86 2dmi n GLY 43 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.19 -3.08 -3.74 1.61 8.25 -0.12 -4.96 115.22 112.99 2dmi n HIS 44 Ca 0.00 -0.85 -0.13 0.00 -0.26 0.00 0.00 57.72 56.48 2dmi n HIS 44 Cb 0.00 -0.32 -0.10 0.00 1.12 0.00 0.00 29.99 30.68 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 -1.19 -0.43 0.98 4.41 2.02 -1.26 -4.62 117.35 117.26 2dmi s TYR 45 Ca 0.30 1.04 -0.15 0.00 -0.37 0.00 0.00 57.07 57.90 2dmi s TYR 45 Cb -0.02 0.15 0.00 0.00 -0.40 0.00 0.00 41.96 41.70 2dmi s TYR 45 CO 0.20 -0.21 0.08 2.89 -1.57 0.00 0.00 175.55 176.94 2dmi n ARG 46 N 3.00 -0.38 -2.48 -0.62 0.00 -1.26 -3.35 116.66 111.57 2dmi n ARG 46 Ca -0.14 -0.08 -0.43 0.00 -0.00 0.00 0.00 57.85 57.20 2dmi n ARG 46 Cb 0.57 -1.66 0.00 0.00 -0.00 0.00 0.00 32.46 31.37 2dmi n ARG 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2dmi n ASP 47 N -0.36 5.03 -4.35 2.89 2.03 0.11 -4.45 116.55 117.45 2dmi n ASP 47 Ca 0.04 -3.04 -0.19 0.00 0.52 0.00 0.00 54.79 52.12 2dmi n ASP 47 Cb 0.56 -1.53 -0.10 0.00 -0.72 0.00 0.00 41.12 39.32 2dmi n ASP 47 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2dmi s ASP 48 N 1.77 2.65 0.19 1.67 2.15 -1.26 -4.93 116.67 118.90 2dmi s ASP 48 Ca 0.42 -1.00 -0.33 0.00 0.43 0.00 0.00 52.55 52.07 2dmi s ASP 48 Cb 0.06 -0.15 -0.14 0.00 -0.30 0.00 0.00 42.92 42.39 2dmi s ASP 48 CO 0.00 -0.14 1.40 -3.20 -0.17 0.00 0.00 175.17 173.06 2dmi n ASN 49 N -0.30 2.45 -4.76 -0.34 5.15 -1.26 -4.99 115.26 111.21 2dmi n ASN 49 Ca -0.08 1.12 -0.23 0.00 -0.60 0.00 0.00 54.58 54.79 2dmi n ASN 49 Cb 0.60 -1.36 -0.06 0.00 -0.53 0.00 0.00 39.78 38.43 2dmi n ASN 49 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2dmi s HIS 50 N 0.25 2.70 0.15 1.20 3.76 -1.26 -5.13 115.29 116.96 2dmi s HIS 50 Ca 0.74 -0.43 -0.04 0.00 -0.15 0.00 0.00 55.06 55.17 2dmi s HIS 50 Cb -0.73 -1.79 -0.05 0.00 1.11 0.00 0.00 32.58 31.11 2dmi s HIS 50 CO 0.46 0.23 0.37 -2.00 -0.85 0.00 0.00 174.74 172.96 2dmi s GLU 51 N -3.91 3.61 0.51 1.40 2.12 -1.26 -5.08 118.70 116.09 2dmi s GLU 51 Ca 0.40 -0.11 -0.20 0.00 0.36 0.00 0.00 54.97 55.41 2dmi s GLU 51 Cb -0.02 -2.85 -0.07 0.00 0.26 0.00 0.00 34.13 31.46 2dmi s GLU 51 CO 0.24 0.46 1.11 0.99 -0.54 0.00 0.00 175.26 177.52 2dmi s THR 52 N -1.67 3.31 -0.27 -1.70 2.01 -1.26 -4.98 115.64 111.07 2dmi s THR 52 Ca 0.41 0.85 0.18 0.00 0.31 0.00 0.00 61.69 63.44 2dmi s THR 52 Cb -0.12 -3.36 0.49 0.00 0.01 0.00 0.00 72.50 69.52 2dmi s THR 52 CO 0.25 -0.14 1.12 -0.67 -0.69 0.00 0.00 174.62 174.49 2dmi n ASP 53 N -1.03 2.56 -4.87 3.53 2.03 -1.26 -5.09 116.55 112.42 2dmi n ASP 53 Ca 0.10 -2.57 -0.32 0.00 0.52 0.00 0.00 54.79 52.52 2dmi n ASP 53 Cb 0.51 -0.44 -0.05 0.00 -0.72 0.00 0.00 41.12 40.41 2dmi n ASP 53 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2dmi s ASN 54 N -3.71 6.65 -0.03 1.67 0.01 -1.26 -5.09 114.94 113.17 2dmi s ASN 54 Ca 0.34 1.01 0.07 0.00 -0.71 0.00 0.00 52.86 53.58 2dmi s ASN 54 Cb 0.35 -2.26 -0.02 0.00 0.41 0.00 0.00 41.25 39.73 2dmi s ASN 54 CO -0.02 -0.13 -0.25 0.21 -1.51 0.00 0.00 177.10 175.41 2dmi s ASN 55 N -2.42 3.15 -0.34 -1.22 2.47 -1.26 -5.09 114.94 110.23 2dmi s ASN 55 Ca 0.49 -0.45 -0.29 0.00 0.42 0.00 0.00 52.86 53.03 2dmi s ASN 55 Cb -0.11 -0.49 0.00 0.00 -1.45 0.00 0.00 41.25 39.21 2dmi s ASN 55 CO 0.21 0.31 1.34 0.54 -3.72 0.00 0.00 177.10 175.78 2dmi s ASN 56 N -0.53 6.55 0.00 -4.21 2.20 -1.26 -4.87 114.94 112.82 2dmi s ASN 56 Ca 0.08 1.07 0.08 0.00 -0.94 0.00 0.00 52.86 53.15 2dmi s ASN 56 Cb -0.11 -2.54 0.48 0.00 -2.00 0.00 0.00 41.25 37.08 2dmi s ASN 56 CO 0.00 -1.20 0.93 -0.81 -2.94 0.00 0.00 177.10 173.08 2dmi n PRO 57 N 7.58 0.49 -0.75 3.55 -0.04 -1.26 -4.87 135.00 139.71 2dmi n PRO 57 Ca 0.15 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.27 2dmi n PRO 57 Cb 0.47 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.60 2dmi n PRO 57 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2dmi n LYS 58 N -0.76 0.00 -2.16 0.54 2.85 -1.26 -0.26 118.16 117.11 2dmi n LYS 58 Ca 0.06 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.28 2dmi n LYS 58 Cb 0.03 -0.88 0.02 0.00 -0.65 0.00 0.00 35.03 33.54 2dmi n LYS 58 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2dmi n ARG 59 N 4.47 -1.15 -1.10 -1.58 0.00 -1.26 -4.94 116.66 111.09 2dmi n ARG 59 Ca 0.33 0.22 -0.36 0.00 -0.00 0.00 0.00 57.85 58.04 2dmi n ARG 59 Cb -0.02 -3.00 -0.00 0.00 0.00 0.00 0.00 32.46 29.44 2dmi n ARG 59 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 2dmi n TRP 60 N -1.87 -1.74 -0.99 -0.14 8.01 0.65 -4.78 117.44 116.56 2dmi n TRP 60 Ca -0.05 0.54 -0.36 0.00 -1.31 0.00 0.00 57.50 56.32 2dmi n TRP 60 Cb 0.54 -1.51 0.04 0.00 -2.01 0.00 0.00 31.31 28.37 2dmi n TRP 60 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 2dmi n SER 61 N 1.97 -5.59 -4.36 -0.99 7.64 -1.26 -4.74 113.62 106.29 2dmi n SER 61 Ca 0.10 0.16 -0.42 0.00 1.01 0.00 0.00 58.87 59.72 2dmi n SER 61 Cb 0.33 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 2dmi n SER 61 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2dmi n LYS 62 N 2.38 0.21 -0.91 1.43 -0.00 -1.26 -4.95 118.16 115.06 2dmi n LYS 62 Ca -0.02 0.08 -0.27 0.00 -0.00 0.00 0.00 58.31 58.10 2dmi n LYS 62 Cb 0.58 -1.20 0.22 0.00 -0.00 0.00 0.00 35.03 34.64 2dmi n LYS 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2dmi n PRO 63 N 1.02 -2.94 -4.30 -1.58 -0.04 -1.26 -5.07 135.00 120.83 2dmi n PRO 63 Ca 0.11 -1.55 -0.25 0.00 -0.04 0.00 0.00 63.50 61.78 2dmi n PRO 63 Cb 0.40 -1.46 -0.17 0.00 -0.04 0.00 0.00 33.50 32.24 2dmi n PRO 63 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2dmi s ARG 64 N -5.20 1.56 0.29 0.54 3.00 -1.26 -5.13 118.95 112.75 2dmi s ARG 64 Ca 0.63 -0.33 0.01 0.00 -1.00 0.00 0.00 55.73 55.05 2dmi s ARG 64 Cb -0.06 -1.42 -0.02 0.00 0.00 0.00 0.00 34.95 33.44 2dmi s ARG 64 CO 0.48 -0.09 0.29 -1.59 0.00 0.00 0.00 175.30 174.40 2dmi s LYS 65 N 1.06 1.62 -0.02 5.12 0.00 -1.26 -5.18 119.74 121.08 2dmi s LYS 65 Ca -0.07 -1.80 -0.30 0.00 0.00 0.00 0.00 55.97 53.79 2dmi s LYS 65 Cb -0.14 0.35 0.11 0.00 0.00 0.00 0.00 37.83 38.14 2dmi s LYS 65 CO -0.01 -0.61 1.17 -0.98 0.00 0.00 0.00 175.35 174.92 2dmi s ARG 66 N -3.60 0.58 -0.03 1.78 1.70 -1.26 -5.17 118.95 112.95 2dmi s ARG 66 Ca 0.37 -0.30 0.07 0.00 -0.47 0.00 0.00 55.73 55.40 2dmi s ARG 66 Cb 0.03 0.22 -0.01 0.00 -0.57 0.00 0.00 34.95 34.61 2dmi s ARG 66 CO 0.20 -0.26 -0.24 -1.54 -1.08 0.00 0.00 175.30 172.38 2dmi s SER 67 N -2.75 2.83 -0.74 -2.89 1.04 -1.26 -5.07 113.70 104.86 2dmi s SER 67 Ca 0.12 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.13 2dmi s SER 67 Cb 0.02 -0.53 0.26 0.00 0.10 0.00 0.00 66.02 65.87 2dmi s SER 67 CO -0.03 0.26 0.92 0.18 0.98 0.00 0.00 173.24 175.54 2dmi n LEU 68 N 2.73 4.38 -4.44 2.42 4.77 -1.26 -4.99 117.00 120.60 2dmi n LEU 68 Ca -0.17 -5.40 -0.44 0.00 -0.03 0.00 0.00 56.01 49.97 2dmi n LEU 68 Cb 0.52 -0.80 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 2dmi n LEU 68 CO 0.24 1.98 1.20 -0.22 -1.33 0.00 0.00 177.39 179.26 2dmi s LEU 69 N -2.57 5.29 -0.45 2.23 1.98 -1.26 -4.83 118.68 119.06 2dmi s LEU 69 Ca 0.38 -2.87 0.08 0.00 -2.89 0.00 0.00 54.13 48.82 2dmi s LEU 69 Cb 0.13 -2.37 0.25 0.00 0.66 0.00 0.00 46.19 44.86 2dmi s LEU 69 CO 0.02 -0.74 0.59 -0.62 -1.89 0.00 0.00 176.35 173.70 2dmi n GLU 70 N 5.38 1.19 -1.03 1.98 1.02 -1.26 -4.91 120.64 123.01 2dmi n GLU 70 Ca 0.32 -3.60 -0.13 0.00 -0.02 0.00 0.00 57.16 53.73 2dmi n GLU 70 Cb 0.44 -1.49 0.22 0.00 -0.02 0.00 0.00 31.44 30.58 2dmi n GLU 70 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2dmi n MET 71 N 1.21 2.53 -4.33 3.49 2.81 -1.26 -4.96 117.12 116.61 2dmi n MET 71 Ca 0.23 -3.07 -0.35 0.00 -1.81 0.00 0.00 57.70 52.71 2dmi n MET 71 Cb 0.50 -2.07 -0.09 0.00 -0.71 0.00 0.00 33.22 30.85 2dmi n MET 71 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2dmi s GLU 72 N -3.19 2.99 0.00 0.03 8.01 -1.26 -4.99 118.70 120.28 2dmi s GLU 72 Ca 0.52 -0.42 0.00 0.00 0.01 0.00 0.00 54.97 55.09 2dmi s GLU 72 Cb 0.44 -2.80 0.00 0.00 -4.31 0.00 0.00 34.13 27.46 2dmi s GLU 72 CO 0.08 0.70 0.00 0.41 0.01 0.00 0.00 175.26 176.46 2dmi n GLY 73 N 2.02 -1.45 2.85 -1.39 0.00 -1.26 -5.15 105.19 100.81 2dmi n GLY 73 Ca -0.18 0.59 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 2dmi n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dmi s LYS 74 N 0.00 0.90 -0.77 1.61 0.00 -1.26 -4.85 119.74 115.36 2dmi s LYS 74 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 55.97 55.84 2dmi s LYS 74 Cb 0.00 -1.06 0.07 0.00 0.00 0.00 0.00 37.83 36.84 2dmi s LYS 74 CO 0.00 -0.21 0.18 -0.85 0.00 0.00 0.00 175.35 174.47 2dmi n GLU 75 N 4.68 -0.91 -2.55 1.78 0.28 -1.26 -4.77 120.64 117.89 2dmi n GLU 75 Ca -0.15 0.05 -0.42 0.00 -0.16 0.00 0.00 57.16 56.48 2dmi n GLU 75 Cb 0.50 -1.89 -0.03 0.00 1.43 0.00 0.00 31.44 31.46 2dmi n GLU 75 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2dmi s ASP 76 N -2.49 7.17 -0.68 -1.84 -4.77 -1.26 -3.72 116.67 109.07 2dmi s ASP 76 Ca 0.25 1.78 -0.01 0.00 -3.30 0.00 0.00 52.55 51.27 2dmi s ASP 76 Cb -0.14 -2.57 -0.01 0.00 -1.09 0.00 0.00 42.92 39.11 2dmi s ASP 76 CO 0.44 -0.45 0.58 0.00 0.70 0.00 0.00 175.17 176.44 2dmi n ALA 77 N 4.48 -1.34 -2.08 2.11 0.00 -1.26 -4.95 120.51 117.47 2dmi n ALA 77 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.13 2dmi n ALA 77 Cb 0.48 -2.24 0.03 0.00 0.00 0.00 0.00 19.45 17.72 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 -2.76 3.30 -0.04 0.00 1.13 -1.24 -4.74 117.38 113.02 2dmi n GLN 78 Ca -0.13 -3.78 0.24 0.00 -1.94 0.00 0.00 57.00 51.40 2dmi n GLN 78 Cb 0.59 -2.31 0.67 0.00 0.11 0.00 0.00 30.24 29.30 2dmi n GLN 78 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2dmi h LYS 79 N 3.23 0.00 -6.33 -1.09 3.11 -1.93 -3.40 116.57 110.15 2dmi h LYS 79 Ca 0.56 0.00 -0.60 0.00 -2.81 0.00 0.00 60.65 57.79 2dmi h LYS 79 Cb 0.10 0.00 -0.13 0.00 -1.00 0.00 0.00 32.23 31.21 2dmi h LYS 79 CO 1.37 0.00 -0.71 0.54 -2.81 0.00 0.00 179.45 177.84 2dmi s VAL 80 N -4.60 3.13 -0.27 2.00 0.11 -1.26 -5.06 120.40 114.44 2dmi s VAL 80 Ca -0.04 -1.88 -0.28 0.00 -2.93 0.00 0.00 61.98 56.85 2dmi s VAL 80 Cb 0.16 -2.60 -0.04 0.00 -1.53 0.00 0.00 36.38 32.37 2dmi s VAL 80 CO 0.56 -0.25 2.05 -0.76 -3.33 0.00 0.00 175.10 173.37 2dmi s LEU 81 N -3.21 3.46 0.35 2.54 1.43 -1.26 -4.90 118.68 117.08 2dmi s LEU 81 Ca 0.28 1.63 0.04 0.00 -1.03 0.00 0.00 54.13 55.04 2dmi s LEU 81 Cb -0.07 -3.50 -0.06 0.00 0.03 0.00 0.00 46.19 42.59 2dmi s LEU 81 CO 0.16 -1.87 0.06 -0.54 0.23 0.00 0.00 176.35 174.39 2dmi s LYS 82 N 6.10 1.72 -0.28 1.70 1.02 -1.26 -0.08 119.74 128.66 2dmi s LYS 82 Ca 0.92 -1.98 -0.02 0.00 0.02 0.00 0.00 55.97 54.91 2dmi s LYS 82 Cb -0.28 -0.90 0.04 0.00 -0.52 0.00 0.00 37.83 36.17 2dmi s LYS 82 CO 0.34 -0.22 -0.01 0.00 -0.92 0.00 0.00 175.35 174.54 2dmi h MET 84 N 8.03 0.06 0.00 0.00 2.86 -1.96 2.48 114.93 126.40 2dmi h MET 84 Ca -0.26 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2dmi h MET 84 Cb 1.08 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.73 2dmi h MET 84 CO 0.56 0.04 0.00 0.98 1.06 0.00 0.00 176.91 179.54 2dmi n TYR 85 N -5.33 0.00 -0.12 -0.22 4.19 -1.26 -4.13 117.16 110.29 2dmi n TYR 85 Ca 0.07 0.00 -0.23 0.00 3.31 0.00 0.00 57.90 61.05 2dmi n TYR 85 Cb 0.32 -0.48 -0.08 0.00 0.49 0.00 0.00 39.34 39.58 2dmi n TYR 85 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2dmi n GLY 87 N 1.32 0.75 2.95 0.00 0.00 0.83 -4.97 105.19 106.07 2dmi n GLY 87 Ca -0.42 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.68 1.95 0.17 1.61 3.76 -1.26 -4.78 115.29 116.07 2dmi s HIS 88 Ca 0.00 -1.19 -0.30 0.00 -0.15 0.00 0.00 55.06 53.42 2dmi s HIS 88 Cb 0.00 -1.45 -0.08 0.00 1.11 0.00 0.00 32.58 32.17 2dmi s HIS 88 CO 0.00 -0.64 1.14 -1.54 -0.85 0.00 0.00 174.74 172.85 2dmi s SER 89 N 1.55 7.18 0.15 1.40 1.04 -1.26 -3.48 113.70 120.29 2dmi s SER 89 Ca 0.02 2.14 0.09 0.00 0.48 0.00 0.00 55.95 58.67 2dmi s SER 89 Cb -0.15 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.33 2dmi s SER 89 CO -0.09 -0.30 -0.20 -0.36 0.98 0.00 0.00 173.24 173.27 2dmi s PHE 90 N -0.05 1.91 -0.06 5.02 0.08 0.88 -4.98 117.98 120.78 2dmi s PHE 90 Ca 0.51 -0.43 -0.23 0.00 0.12 0.00 0.00 56.93 56.90 2dmi s PHE 90 Cb -0.31 -0.98 -0.30 0.00 -0.57 0.00 0.00 43.02 40.87 2dmi s PHE 90 CO 0.35 0.33 0.89 0.93 -0.10 0.00 0.00 175.22 177.62 2dmi h GLU 91 N 3.45 0.24 -6.11 0.44 3.07 -1.96 -3.36 114.58 110.34 2dmi h GLU 91 Ca -0.44 -0.39 -0.57 0.00 -0.50 0.00 0.00 59.36 57.46 2dmi h GLU 91 Cb 1.20 0.14 -0.10 0.00 -0.84 0.00 0.00 28.75 29.16 2dmi h GLU 91 CO 0.47 1.17 -0.61 -1.12 -1.40 0.00 0.00 179.01 177.52 2dmi s SER 92 N -6.78 4.41 0.01 1.42 0.01 -1.26 -4.98 113.70 106.53 2dmi s SER 92 Ca -0.15 -0.81 -0.25 0.00 1.31 0.00 0.00 55.95 56.05 2dmi s SER 92 Cb 0.00 -0.68 -0.17 0.00 0.21 0.00 0.00 66.02 65.38 2dmi s SER 92 CO 0.80 -0.16 1.28 0.25 0.41 0.00 0.00 173.24 175.82 2dmi h LEU 93 N 1.79 -0.28 -1.04 2.44 7.12 -2.00 -3.06 115.31 120.27 2dmi h LEU 93 Ca -0.43 -0.20 0.41 0.00 0.13 0.00 0.00 57.88 57.78 2dmi h LEU 93 Cb 1.25 0.07 -0.16 0.00 -0.53 0.00 0.00 40.66 41.30 2dmi h LEU 93 CO 0.63 0.07 0.60 1.67 -0.13 0.00 0.00 178.44 181.29 2dmi n GLN 94 N -5.09 -0.05 -0.03 1.25 -0.06 -1.26 0.13 117.38 112.27 2dmi n GLN 94 Ca -0.09 1.25 -0.11 0.00 -2.00 0.00 0.00 57.00 56.05 2dmi n GLN 94 Cb 0.25 -2.32 -0.05 0.00 -4.06 0.00 0.00 30.24 24.06 2dmi n GLN 94 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 2dmi h ASP 95 N 0.00 0.19 0.44 1.69 3.32 -1.96 -1.75 116.42 118.35 2dmi h ASP 95 Ca 0.80 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.67 2dmi h ASP 95 Cb 2.27 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.78 2dmi h ASP 95 CO -0.63 0.30 -0.21 0.25 -1.72 0.00 0.00 179.24 177.23 2dmi h LEU 96 N 0.06 -0.50 -0.18 1.55 7.12 0.11 -2.20 115.31 121.27 2dmi h LEU 96 Ca 0.05 -0.06 0.04 0.00 0.13 0.00 0.00 57.88 58.03 2dmi h LEU 96 Cb 0.17 0.13 -0.07 0.00 -0.53 0.00 0.00 40.66 40.36 2dmi h LEU 96 CO -0.00 -0.24 -0.51 0.28 -0.13 0.00 0.00 178.44 177.84 2dmi h SER 97 N -0.75 -1.62 -0.02 1.25 0.02 -1.18 -2.29 113.55 108.96 2dmi h SER 97 Ca -0.06 0.20 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2dmi h SER 97 Cb 0.53 0.65 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 2dmi h SER 97 CO 0.10 -0.46 -0.19 0.58 -1.14 0.00 0.00 176.83 175.72 2dmi h VAL 98 N -0.52 0.00 -0.68 2.27 2.07 -1.34 -2.25 116.25 115.79 2dmi h VAL 98 Ca 0.06 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.69 2dmi h VAL 98 Cb 0.66 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.31 2dmi h VAL 98 CO -0.46 0.00 -0.25 1.57 0.02 0.00 0.00 177.57 178.46 2dmi n HIS 99 N -3.57 0.06 -0.24 1.57 -0.00 -0.83 0.10 115.22 112.32 2dmi n HIS 99 Ca -0.02 0.84 -0.04 0.00 -0.00 0.00 0.00 57.72 58.50 2dmi n HIS 99 Cb 0.14 -0.78 0.02 0.00 -0.00 0.00 0.00 29.99 29.37 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 -0.11 -0.24 1.57 2.86 -0.83 0.45 114.93 118.63 2dmi h MET 100 Ca 0.26 0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.78 2dmi h MET 100 Cb 0.43 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 2dmi h MET 100 CO -0.68 -0.07 -0.32 0.82 1.06 0.00 0.00 176.91 177.71 2dmi h ILE 101 N -0.11 1.31 -0.89 -1.22 5.03 0.80 2.03 117.51 124.46 2dmi h ILE 101 Ca 0.27 -1.51 0.26 0.00 -0.12 0.00 0.00 64.86 63.75 2dmi h ILE 101 Cb 0.56 1.71 -0.04 0.00 -3.03 0.00 0.00 36.82 36.02 2dmi h ILE 101 CO -0.75 0.48 0.64 0.11 -0.68 0.00 0.00 178.15 177.94 2dmi h LYS 102 N 0.36 0.02 0.00 2.37 1.57 0.92 -0.84 116.57 120.98 2dmi h LYS 102 Ca 0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2dmi h LYS 102 Cb 0.90 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2dmi h LYS 102 CO 0.08 0.02 0.00 0.25 -0.57 0.00 0.00 179.45 179.22 2dmi n THR 103 N -4.29 0.40 -4.04 -0.16 -2.24 -0.00 -5.00 114.28 98.95 2dmi n THR 103 Ca 0.19 -0.61 -0.33 0.00 -2.27 0.00 0.00 64.05 61.02 2dmi n THR 103 Cb 0.94 0.89 -0.00 0.00 -2.10 0.00 0.00 70.33 70.06 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 -0.20 -4.31 0.10 -0.78 5.02 0.64 -4.84 118.16 113.78 2dmi n LYS 104 Ca 0.00 0.49 -0.04 0.00 -2.02 0.00 0.00 58.31 56.73 2dmi n LYS 104 Cb 0.17 -5.30 0.12 0.00 -0.02 0.00 0.00 35.03 29.99 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 -1.75 0.22 0.29 2.13 3.86 -0.46 -3.26 115.15 116.18 2dmi h HIS 105 Ca -0.58 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 58.53 2dmi h HIS 105 Cb 1.38 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.81 2dmi h HIS 105 CO 0.61 0.76 -0.16 0.10 0.86 0.00 0.00 177.93 180.10 2dmi h TYR 106 N 0.12 -0.41 0.00 2.45 -0.00 -1.89 -1.49 116.97 115.76 2dmi h TYR 106 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.71 2dmi h TYR 106 Cb 1.15 0.14 0.00 0.00 -0.00 0.00 0.00 36.73 38.02 2dmi h TYR 106 CO 0.02 -0.25 0.48 0.37 -0.00 0.00 0.00 178.16 178.78 2dmi h GLN 107 N -0.42 0.00 -1.82 0.10 5.75 -1.89 -1.40 115.11 115.43 2dmi h GLN 107 Ca -0.04 0.00 -0.44 0.00 -0.15 0.00 0.00 58.65 58.02 2dmi h GLN 107 Cb 0.33 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 28.72 2dmi h GLN 107 CO 0.05 0.00 0.39 1.17 -2.65 0.00 0.00 178.83 177.79 2dmi n LYS 108 N -2.58 2.21 -3.95 1.69 0.00 -0.56 -4.83 118.16 110.14 2dmi n LYS 108 Ca -0.01 -2.09 -0.30 0.00 0.00 0.00 0.00 58.31 55.91 2dmi n LYS 108 Cb 0.51 -1.97 -0.16 0.00 0.00 0.00 0.00 35.03 33.41 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 -2.25 1.53 0.26 3.15 -7.23 -0.53 -5.00 120.40 110.34 2dmi s VAL 109 Ca 0.50 -1.16 -0.13 0.00 -1.81 0.00 0.00 61.98 59.38 2dmi s VAL 109 Cb 0.34 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 35.52 2dmi s VAL 109 CO -0.14 -0.05 0.51 -0.94 -0.31 0.00 0.00 175.10 174.17 2dmi s SER 110 N 1.40 -0.03 -0.29 4.85 1.04 -1.26 -5.15 113.70 114.26 2dmi s SER 110 Ca -0.05 -0.95 -0.15 0.00 0.48 0.00 0.00 55.95 55.28 2dmi s SER 110 Cb -0.18 0.61 0.13 0.00 0.10 0.00 0.00 66.02 66.68 2dmi s SER 110 CO -0.07 -1.19 0.89 -0.83 0.98 0.00 0.00 173.24 173.03 2dmi s GLY 111 N -3.03 -0.23 0.12 7.32 0.00 -1.26 -5.15 107.32 105.10 2dmi s GLY 111 Ca 0.22 2.91 -0.31 0.00 0.00 0.00 0.00 44.72 47.54 2dmi s GLY 111 CO 0.10 2.73 1.36 2.56 0.00 0.00 0.00 173.10 179.84 2dmi s PRO 112 N 1.77 4.34 -0.30 2.90 0.04 -1.26 -5.00 135.00 137.49 2dmi s PRO 112 Ca -0.08 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 62.84 2dmi s PRO 112 Cb -0.05 -3.25 0.17 0.00 0.04 0.00 0.00 34.50 31.41 2dmi s PRO 112 CO -0.17 -0.39 1.08 -1.54 0.04 0.00 0.00 177.00 176.02 2dmi s SER 113 N 0.97 -0.42 -0.24 6.66 1.04 -1.26 -5.07 113.70 115.38 2dmi s SER 113 Ca 0.63 0.59 -0.13 0.00 0.48 0.00 0.00 55.95 57.52 2dmi s SER 113 Cb -0.36 1.47 -0.16 0.00 0.10 0.00 0.00 66.02 67.06 2dmi s SER 113 CO 0.31 -0.08 -0.09 -1.20 0.98 0.00 0.00 173.24 173.16 2dmi n SER 114 N 4.78 1.95 0.00 7.02 7.64 -1.26 -5.34 113.62 128.41 2dmi n SER 114 Ca -0.09 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2dmi n SER 114 Cb 0.54 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2dmi n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64