#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 -0.68 -0.18 1.61 0.15 -1.26 -5.17 113.70 108.17 2dmi s SER 2 Ca 0.00 0.39 -0.30 0.00 0.70 0.00 0.00 55.95 56.73 2dmi s SER 2 Cb 0.00 1.56 0.14 0.00 -1.71 0.00 0.00 66.02 66.01 2dmi s SER 2 CO 0.00 -0.13 1.08 -0.94 1.20 0.00 0.00 173.24 174.46 2dmi s SER 3 N 2.93 -0.28 0.00 5.45 1.04 -1.26 -5.19 113.70 116.40 2dmi s SER 3 Ca 0.06 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2dmi s SER 3 Cb -0.11 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2dmi s SER 3 CO -0.14 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2dmi n GLY 4 N 0.52 -0.45 3.25 7.32 0.00 -1.26 -5.18 105.19 109.39 2dmi n GLY 4 Ca -0.07 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 2dmi n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmi s SER 5 N 0.00 -0.13 0.13 1.61 0.01 -1.26 -5.18 113.70 108.88 2dmi s SER 5 Ca 0.00 -0.15 -0.25 0.00 1.31 0.00 0.00 55.95 56.86 2dmi s SER 5 Cb 0.00 0.35 0.08 0.00 0.21 0.00 0.00 66.02 66.66 2dmi s SER 5 CO 0.00 -0.59 1.06 -0.94 0.41 0.00 0.00 173.24 173.18 2dmi s SER 6 N -1.96 -0.07 0.00 2.44 1.04 -1.26 -5.13 113.70 108.77 2dmi s SER 6 Ca -0.06 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2dmi s SER 6 Cb -0.01 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2dmi s SER 6 CO -0.02 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 173.99 2dmi n GLY 7 N -0.60 1.12 3.01 7.32 0.00 -1.26 -5.10 105.19 109.68 2dmi n GLY 7 Ca -0.04 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 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 2.37 0.06 1.61 1.02 -1.26 -5.07 119.74 118.48 2dmi s LYS 8 Ca 0.00 -2.77 0.05 0.00 0.02 0.00 0.00 55.97 53.27 2dmi s LYS 8 Cb 0.00 -3.53 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 2dmi s LYS 8 CO 0.00 -1.17 -0.13 -1.17 -0.92 0.00 0.00 175.35 171.96 2dmi s LEU 9 N -0.50 2.26 0.42 3.17 2.96 -1.26 -5.16 118.68 120.57 2dmi s LEU 9 Ca 0.19 -0.59 0.05 0.00 -0.22 0.00 0.00 54.13 53.57 2dmi s LEU 9 Cb -0.19 -0.48 -0.06 0.00 0.50 0.00 0.00 46.19 45.96 2dmi s LEU 9 CO -0.05 -0.08 0.01 -0.31 -1.32 0.00 0.00 176.35 174.61 2dmi s TYR 10 N -1.23 2.33 0.00 5.38 1.51 -1.26 -5.07 117.35 119.01 2dmi s TYR 10 Ca -0.03 -0.76 0.00 0.00 -1.01 0.00 0.00 57.07 55.27 2dmi s TYR 10 Cb -0.10 -1.69 0.00 0.00 -0.11 0.00 0.00 41.96 40.06 2dmi s TYR 10 CO 0.02 0.35 0.00 0.41 -1.11 0.00 0.00 175.55 175.22 2dmi n GLY 11 N -1.01 -1.13 1.91 0.71 0.00 -1.26 -5.07 105.19 99.35 2dmi n GLY 11 Ca -0.08 0.30 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 2dmi n GLY 11 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmi n SER 12 N 0.00 2.92 -4.76 1.61 2.88 -1.26 -5.08 113.62 109.92 2dmi n SER 12 Ca 0.00 -3.09 -0.41 0.00 -1.33 0.00 0.00 58.87 54.04 2dmi n SER 12 Cb 0.00 -0.41 -0.01 0.00 -0.75 0.00 0.00 64.21 63.04 2dmi n SER 12 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2dmi s ILE 13 N -3.56 2.23 -0.19 2.46 -5.25 -1.26 -5.00 121.20 110.64 2dmi s ILE 13 Ca 0.40 0.21 -0.06 0.00 -0.99 0.00 0.00 60.65 60.21 2dmi s ILE 13 Cb 0.38 -3.13 -0.03 0.00 2.95 0.00 0.00 42.46 42.62 2dmi s ILE 13 CO -0.03 0.04 0.02 -0.36 -1.79 0.00 0.00 174.94 172.82 2dmi s PHE 14 N -0.51 3.11 -0.23 1.37 0.08 -1.26 -5.08 117.98 115.46 2dmi s PHE 14 Ca 0.57 -0.23 -0.02 0.00 0.12 0.00 0.00 56.93 57.37 2dmi s PHE 14 Cb -0.45 -2.07 0.07 0.00 -0.57 0.00 0.00 43.02 40.00 2dmi s PHE 14 CO 0.53 -0.07 0.04 0.95 -0.10 0.00 0.00 175.22 176.58 2dmi s THR 15 N 0.69 0.66 -0.28 0.64 -4.23 -1.26 -5.11 115.64 106.75 2dmi s THR 15 Ca 0.01 -0.80 -0.19 0.00 -1.18 0.00 0.00 61.69 59.53 2dmi s THR 15 Cb -0.14 -1.23 0.09 0.00 1.34 0.00 0.00 72.50 72.57 2dmi s THR 15 CO 0.02 -0.32 0.78 -0.83 -0.54 0.00 0.00 174.62 173.73 2dmi s GLY 16 N 1.78 -0.46 0.23 3.99 0.00 -1.26 -5.18 107.32 106.42 2dmi s GLY 16 Ca 0.01 2.49 0.05 0.00 0.00 0.00 0.00 44.72 47.28 2dmi s GLY 16 CO -0.13 2.24 -0.06 0.00 0.00 0.00 0.00 173.10 175.15 2dmi s ALA 17 N 1.17 1.94 -0.02 3.20 0.00 -1.26 -5.16 121.76 121.64 2dmi s ALA 17 Ca -0.06 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.16 2dmi s ALA 17 Cb -0.05 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.32 2dmi s ALA 17 CO -0.13 -0.11 0.03 -1.54 0.00 0.00 0.00 175.76 174.00 2dmi s SER 18 N -3.32 0.07 -0.00 0.00 1.04 -1.26 -5.04 113.70 105.18 2dmi s SER 18 Ca 0.26 0.03 -0.10 0.00 0.48 0.00 0.00 55.95 56.62 2dmi s SER 18 Cb 0.03 -0.07 -0.06 0.00 0.10 0.00 0.00 66.02 66.03 2dmi s SER 18 CO 0.08 -0.12 0.72 0.11 0.98 0.00 0.00 173.24 175.01 2dmi h LYS 19 N 7.19 -0.36 -6.19 4.02 1.79 -1.76 -3.46 116.57 117.79 2dmi h LYS 19 Ca -0.44 0.02 -0.51 0.00 -2.18 0.00 0.00 60.65 57.54 2dmi h LYS 19 Cb 1.13 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.81 2dmi h LYS 19 CO 0.48 -0.24 -0.53 -0.06 -1.08 0.00 0.00 179.45 178.03 2dmi s PHE 20 N -3.05 3.00 0.01 -1.35 0.40 -0.48 -5.00 117.98 111.51 2dmi s PHE 20 Ca -0.05 -0.17 -0.09 0.00 -0.60 0.00 0.00 56.93 56.02 2dmi s PHE 20 Cb 0.01 -1.45 0.00 0.00 0.51 0.00 0.00 43.02 42.08 2dmi s PHE 20 CO 0.16 0.47 0.17 1.03 0.70 0.00 0.00 175.22 177.75 2dmi s ARG 21 N -3.85 0.56 -0.11 0.44 3.00 -1.26 -1.31 118.95 116.41 2dmi s ARG 21 Ca 0.34 -0.44 -0.11 0.00 0.00 0.00 0.00 55.73 55.52 2dmi s ARG 21 Cb -0.07 0.23 -0.05 0.00 0.00 0.00 0.00 34.95 35.06 2dmi s ARG 21 CO 0.24 -0.14 0.24 0.00 0.00 0.00 0.00 175.30 175.64 2dmi h LYS 23 N 5.45 -0.49 0.00 0.00 3.64 -1.66 -3.38 116.57 120.13 2dmi h LYS 23 Ca -0.50 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2dmi h LYS 23 Cb 1.20 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2dmi h LYS 23 CO 0.65 -0.33 0.00 -0.25 -2.27 0.00 0.00 179.45 177.25 2dmi n ASP 24 N -4.64 0.00 -4.77 4.20 9.92 -1.26 -4.70 116.55 115.30 2dmi n ASP 24 Ca -0.06 0.84 -0.22 0.00 -0.53 0.00 0.00 54.79 54.81 2dmi n ASP 24 Cb 0.20 -0.34 0.10 0.00 -0.64 0.00 0.00 41.12 40.44 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 -2.68 7.40 -4.44 0.00 7.64 -1.26 -4.38 113.62 115.91 2dmi n SER 26 Ca 0.15 -3.79 -0.43 0.00 1.01 0.00 0.00 58.87 55.82 2dmi n SER 26 Cb 0.61 -0.91 -0.10 0.00 -1.01 0.00 0.00 64.21 62.80 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 -3.81 3.45 0.22 -0.43 0.00 -1.26 -4.95 121.76 114.98 2dmi s ALA 27 Ca 0.63 -1.76 0.01 0.00 0.00 0.00 0.00 51.96 50.84 2dmi s ALA 27 Cb 0.50 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 2dmi s ALA 27 CO -0.02 -1.48 0.39 0.00 0.00 0.00 0.00 175.76 174.65 2dmi s ALA 28 N 1.65 3.86 0.30 0.00 0.00 -1.26 -2.66 121.76 123.64 2dmi s ALA 28 Ca 0.04 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.08 2dmi s ALA 28 Cb -0.20 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 2dmi s ALA 28 CO 0.09 0.36 0.12 0.71 0.00 0.00 0.00 175.76 177.04 2dmi s TYR 29 N -1.93 1.61 -0.24 0.00 2.02 -0.43 -4.98 117.35 113.42 2dmi s TYR 29 Ca 0.37 -1.26 -0.02 0.00 -0.37 0.00 0.00 57.07 55.79 2dmi s TYR 29 Cb -0.10 -0.93 -0.14 0.00 -0.40 0.00 0.00 41.96 40.39 2dmi s TYR 29 CO 0.30 -0.39 -0.23 -0.25 -1.57 0.00 0.00 175.55 173.40 2dmi n ASP 30 N -0.75 2.08 -4.60 2.29 9.92 -1.26 -1.39 116.55 122.84 2dmi n ASP 30 Ca -0.00 -0.01 -0.34 0.00 -0.53 0.00 0.00 54.79 53.90 2dmi n ASP 30 Cb 0.66 -0.46 -0.11 0.00 -0.64 0.00 0.00 41.12 40.57 2dmi n ASP 30 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2dmi s THR 31 N -2.46 4.08 0.25 -3.53 -4.23 -1.26 -4.53 115.64 103.95 2dmi s THR 31 Ca -0.32 -0.32 -0.05 0.00 -1.18 0.00 0.00 61.69 59.82 2dmi s THR 31 Cb 0.09 -2.73 0.23 0.00 1.34 0.00 0.00 72.50 71.44 2dmi s THR 31 CO 0.51 0.56 1.87 0.25 -0.54 0.00 0.00 174.62 177.27 2dmi h LEU 32 N 5.72 0.93 -2.03 4.79 5.85 -2.00 -0.49 115.31 128.08 2dmi h LEU 32 Ca -0.44 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.39 2dmi h LEU 32 Cb 1.19 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2dmi h LEU 32 CO 0.57 0.61 0.38 1.62 -0.34 0.00 0.00 178.44 181.28 2dmi h VAL 33 N 1.07 0.40 0.18 1.05 3.04 -2.00 -0.06 116.25 119.92 2dmi h VAL 33 Ca 0.39 0.00 -0.33 0.00 -1.01 0.00 0.00 66.70 65.75 2dmi h VAL 33 Cb 0.13 0.69 0.01 0.00 -2.01 0.00 0.00 31.29 30.11 2dmi h VAL 33 CO -0.16 0.00 -1.62 -0.33 -1.01 0.00 0.00 177.57 174.45 2dmi h GLU 34 N 0.00 0.37 0.61 4.17 5.08 -1.52 -3.32 114.58 119.98 2dmi h GLU 34 Ca 0.17 -0.63 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 2dmi h GLU 34 Cb 0.93 0.24 0.01 0.00 0.50 0.00 0.00 28.75 30.43 2dmi h GLU 34 CO -0.00 1.30 -0.29 1.25 -1.00 0.00 0.00 179.01 180.27 2dmi h LEU 35 N -0.00 -0.70 -0.88 1.33 5.85 -0.73 -3.15 115.31 117.02 2dmi h LEU 35 Ca -0.32 -0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.54 2dmi h LEU 35 Cb 2.01 0.18 -0.17 0.00 0.37 0.00 0.00 40.66 43.06 2dmi h LEU 35 CO 0.16 -0.38 -0.25 0.71 -0.34 0.00 0.00 178.44 178.34 2dmi h THR 36 N -1.01 0.10 -0.87 1.05 1.35 -1.28 0.56 112.91 112.81 2dmi h THR 36 Ca -0.08 0.00 0.21 0.00 -0.55 0.00 0.00 66.41 65.98 2dmi h THR 36 Cb 0.68 0.10 -0.12 0.00 -1.73 0.00 0.00 68.15 67.08 2dmi h THR 36 CO 0.14 0.00 0.35 0.58 -0.25 0.00 0.00 175.52 176.34 2dmi h VAL 37 N -0.01 0.48 -0.21 6.82 2.07 -1.64 0.44 116.25 124.20 2dmi h VAL 37 Ca 0.41 -0.13 -0.16 0.00 0.82 0.00 0.00 66.70 67.64 2dmi h VAL 37 Cb 0.64 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2dmi h VAL 37 CO -0.91 0.07 -0.50 -0.74 0.02 0.00 0.00 177.57 175.51 2dmi h HIS 38 N 0.38 0.90 -0.81 1.57 -0.00 0.06 0.36 115.15 117.61 2dmi h HIS 38 Ca 0.53 -0.34 0.13 0.00 -0.00 0.00 0.00 60.37 60.69 2dmi h HIS 38 Cb 0.99 -0.16 -0.06 0.00 -0.00 0.00 0.00 27.41 28.18 2dmi h HIS 38 CO -0.16 1.14 0.53 0.52 -0.00 0.00 0.00 177.93 179.95 2dmi h MET 39 N 0.41 0.58 0.03 5.26 2.86 0.74 -0.29 114.93 124.52 2dmi h MET 39 Ca -0.00 -0.03 -0.28 0.00 -2.06 0.00 0.00 59.70 57.32 2dmi h MET 39 Cb 1.11 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 2dmi h MET 39 CO 0.11 0.38 -1.54 0.09 1.06 0.00 0.00 176.91 177.01 2dmi n ASN 40 N -4.52 1.92 -0.08 1.22 3.02 -0.44 -1.39 115.26 114.99 2dmi n ASN 40 Ca 0.15 0.36 -0.09 0.00 -0.03 0.00 0.00 54.58 54.98 2dmi n ASN 40 Cb 0.46 -0.93 -0.03 0.00 -0.61 0.00 0.00 39.78 38.67 2dmi n ASN 40 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2dmi h GLU 41 N -0.77 -0.30 0.14 3.52 5.08 -0.07 -3.10 114.58 119.07 2dmi h GLU 41 Ca -0.40 0.02 -0.35 0.00 -1.00 0.00 0.00 59.36 57.63 2dmi h GLU 41 Cb 1.49 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 2dmi h GLU 41 CO -0.17 -0.20 -1.89 1.79 -1.00 0.00 0.00 179.01 177.54 2dmi h THR 42 N -0.32 0.72 0.00 1.13 1.35 -1.26 -3.49 112.91 111.05 2dmi h THR 42 Ca 0.14 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.62 2dmi h THR 42 Cb 0.55 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 2dmi h THR 42 CO -0.49 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 2dmi n GLY 43 N 1.94 0.86 3.05 5.82 0.00 -0.49 -5.06 105.19 111.30 2dmi n GLY 43 Ca -0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.76 -4.02 1.61 8.25 -1.01 -4.69 115.22 113.59 2dmi n HIS 44 Ca 0.00 0.24 -0.10 0.00 -0.26 0.00 0.00 57.72 57.60 2dmi n HIS 44 Cb 0.00 -1.43 -0.07 0.00 1.12 0.00 0.00 29.99 29.61 2dmi n HIS 44 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2dmi s TYR 45 N -2.09 0.53 1.34 4.41 2.02 -1.26 -4.23 117.35 118.06 2dmi s TYR 45 Ca 0.37 -0.87 -0.20 0.00 -0.37 0.00 0.00 57.07 56.01 2dmi s TYR 45 Cb -0.03 -0.09 0.33 0.00 -0.40 0.00 0.00 41.96 41.77 2dmi s TYR 45 CO 0.45 -0.77 0.83 2.89 -1.57 0.00 0.00 175.55 177.37 2dmi n ARG 46 N -0.27 -3.84 -0.03 -0.62 1.85 -1.26 -2.40 116.66 110.09 2dmi n ARG 46 Ca -0.04 -1.13 -0.04 0.00 -1.00 0.00 0.00 57.85 55.64 2dmi n ARG 46 Cb 0.63 -1.95 -0.04 0.00 -1.05 0.00 0.00 32.46 30.05 2dmi n ARG 46 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2dmi n ASP 47 N -5.01 3.47 -3.14 2.89 5.75 -1.25 -4.31 116.55 114.94 2dmi n ASP 47 Ca 0.09 -0.02 -0.30 0.00 -0.01 0.00 0.00 54.79 54.54 2dmi n ASP 47 Cb 0.56 0.21 -0.00 0.00 -1.03 0.00 0.00 41.12 40.86 2dmi n ASP 47 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2dmi n ASP 48 N -2.50 -2.17 -4.04 -1.12 9.92 -1.26 -4.70 116.55 110.68 2dmi n ASP 48 Ca -0.12 0.58 -0.38 0.00 -0.53 0.00 0.00 54.79 54.34 2dmi n ASP 48 Cb 0.66 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 2dmi n ASP 48 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2dmi n ASN 49 N 1.72 -3.06 -4.20 -2.24 2.85 -1.26 -4.96 115.26 104.11 2dmi n ASN 49 Ca 0.08 0.70 -0.31 0.00 -0.11 0.00 0.00 54.58 54.94 2dmi n ASN 49 Cb 0.30 -0.82 -0.17 0.00 1.24 0.00 0.00 39.78 40.33 2dmi n ASN 49 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2dmi s HIS 50 N -1.73 2.33 -0.94 1.20 3.76 -1.26 -5.06 115.29 113.59 2dmi s HIS 50 Ca 0.55 -0.85 -0.01 0.00 -0.15 0.00 0.00 55.06 54.60 2dmi s HIS 50 Cb -0.54 -1.56 0.30 0.00 1.11 0.00 0.00 32.58 31.88 2dmi s HIS 50 CO 0.61 -0.33 1.30 -0.85 -0.85 0.00 0.00 174.74 174.63 2dmi n GLU 51 N 3.36 4.02 -1.17 1.40 0.28 -1.26 -4.79 120.64 122.48 2dmi n GLU 51 Ca -0.19 -4.61 -0.20 0.00 -0.16 0.00 0.00 57.16 52.00 2dmi n GLU 51 Cb 0.53 -2.43 0.16 0.00 1.43 0.00 0.00 31.44 31.12 2dmi n GLU 51 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2dmi n THR 52 N 1.00 3.04 -3.73 3.84 -1.04 -1.26 -4.93 114.28 111.20 2dmi n THR 52 Ca 0.29 -2.51 -0.13 0.00 -2.04 0.00 0.00 64.05 59.66 2dmi n THR 52 Cb 0.35 -0.59 -0.10 0.00 -1.82 0.00 0.00 70.33 68.17 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 -1.93 -0.45 -0.05 8.00 2.15 -1.26 -5.06 116.67 118.08 2dmi s ASP 53 Ca 0.54 0.85 -0.01 0.00 0.43 0.00 0.00 52.55 54.37 2dmi s ASP 53 Cb 0.46 0.84 -0.03 0.00 -0.30 0.00 0.00 42.92 43.90 2dmi s ASP 53 CO 0.05 -0.15 -0.05 -3.20 -0.17 0.00 0.00 175.17 171.65 2dmi n ASN 54 N 3.05 2.40 -4.54 -0.34 5.15 -1.26 -4.99 115.26 114.73 2dmi n ASN 54 Ca -0.15 0.01 -0.48 0.00 -0.60 0.00 0.00 54.58 53.36 2dmi n ASN 54 Cb 0.57 -0.10 -0.05 0.00 -0.53 0.00 0.00 39.78 39.66 2dmi n ASN 54 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2dmi n ASN 55 N -2.86 2.71 -4.28 1.20 5.15 -1.26 -4.91 115.26 111.01 2dmi n ASN 55 Ca -0.09 0.45 -0.45 0.00 -0.60 0.00 0.00 54.58 53.90 2dmi n ASN 55 Cb 0.58 -1.37 -0.05 0.00 -0.53 0.00 0.00 39.78 38.41 2dmi n ASN 55 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2dmi s ASN 56 N 7.01 6.18 0.00 1.20 4.22 -1.26 -4.90 114.94 127.38 2dmi s ASN 56 Ca 1.04 -2.08 0.15 0.00 -2.14 0.00 0.00 52.86 49.82 2dmi s ASN 56 Cb -0.67 -2.15 0.72 0.00 1.28 0.00 0.00 41.25 40.43 2dmi s ASN 56 CO 0.46 -0.73 1.41 -0.81 -2.04 0.00 0.00 177.10 175.39 2dmi n PRO 57 N 4.79 0.18 -2.87 3.55 -0.04 -1.26 -4.65 135.00 134.69 2dmi n PRO 57 Ca -0.05 0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 2dmi n PRO 57 Cb 0.42 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.64 3.98 0.35 0.54 0.00 -1.26 -5.02 119.74 115.69 2dmi s LYS 58 Ca 0.13 0.70 -0.28 0.00 0.00 0.00 0.00 55.97 56.51 2dmi s LYS 58 Cb 0.10 -3.73 -0.10 0.00 0.00 0.00 0.00 37.83 34.09 2dmi s LYS 58 CO 0.23 -0.74 1.32 0.50 0.00 0.00 0.00 175.35 176.67 2dmi s ARG 59 N 3.12 4.26 0.06 1.78 3.52 -1.26 -5.02 118.95 125.42 2dmi s ARG 59 Ca 0.35 2.24 0.03 0.00 -0.13 0.00 0.00 55.73 58.22 2dmi s ARG 59 Cb -0.14 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.21 2dmi s ARG 59 CO 0.13 -0.27 0.07 1.67 -0.81 0.00 0.00 175.30 176.08 2dmi s TRP 60 N -1.16 3.18 0.97 5.12 -2.14 -1.26 -5.11 118.94 118.54 2dmi s TRP 60 Ca 0.51 0.09 -0.15 0.00 2.66 0.00 0.00 56.10 59.20 2dmi s TRP 60 Cb -0.40 -1.63 0.24 0.00 -3.10 0.00 0.00 33.47 28.58 2dmi s TRP 60 CO 0.53 0.52 0.54 0.43 -2.66 0.00 0.00 176.95 176.31 2dmi n SER 61 N 0.63 -3.30 -4.35 -2.66 7.64 -1.26 -4.85 113.62 105.46 2dmi n SER 61 Ca -0.10 -0.55 -0.39 0.00 1.01 0.00 0.00 58.87 58.84 2dmi n SER 61 Cb 0.52 -0.67 0.02 0.00 -1.01 0.00 0.00 64.21 63.06 2dmi n SER 61 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2dmi n LYS 62 N -3.77 0.24 -1.09 1.43 4.01 -1.26 -4.95 118.16 112.77 2dmi n LYS 62 Ca 0.09 0.09 -0.30 0.00 -0.51 0.00 0.00 58.31 57.68 2dmi n LYS 62 Cb 0.37 -1.29 0.23 0.00 -0.51 0.00 0.00 35.03 33.84 2dmi n LYS 62 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2dmi s PRO 63 N -1.42 -1.08 0.23 1.97 0.04 -1.26 -5.04 135.00 128.44 2dmi s PRO 63 Ca 0.62 -0.02 -0.10 0.00 0.04 0.00 0.00 61.00 61.54 2dmi s PRO 63 Cb -0.51 -1.61 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2dmi s PRO 63 CO 0.61 -3.62 0.56 0.50 0.04 0.00 0.00 177.00 175.08 2dmi s ARG 64 N -5.37 3.81 -0.08 4.56 3.52 -1.26 -5.10 118.95 119.04 2dmi s ARG 64 Ca 0.70 0.29 -0.15 0.00 -0.13 0.00 0.00 55.73 56.45 2dmi s ARG 64 Cb -0.11 -2.64 0.03 0.00 -1.56 0.00 0.00 34.95 30.67 2dmi s ARG 64 CO 0.56 0.31 0.35 -1.59 -0.81 0.00 0.00 175.30 174.13 2dmi s LYS 65 N -2.81 0.57 -0.01 5.12 -2.85 -1.26 -5.17 119.74 113.32 2dmi s LYS 65 Ca 0.47 0.17 -0.16 0.00 -1.00 0.00 0.00 55.97 55.46 2dmi s LYS 65 Cb -0.11 0.26 0.03 0.00 -2.06 0.00 0.00 37.83 35.95 2dmi s LYS 65 CO 0.21 -0.13 0.33 -0.98 0.10 0.00 0.00 175.35 174.89 2dmi s ARG 66 N -0.58 0.70 0.23 1.78 1.70 -1.26 -5.15 118.95 116.37 2dmi s ARG 66 Ca -0.07 -0.18 -0.30 0.00 -0.47 0.00 0.00 55.73 54.71 2dmi s ARG 66 Cb -0.04 0.31 -0.09 0.00 -0.57 0.00 0.00 34.95 34.57 2dmi s ARG 66 CO 0.03 -0.20 0.99 -1.12 -1.08 0.00 0.00 175.30 173.92 2dmi s SER 67 N -1.36 7.52 -0.67 -2.89 0.01 -1.26 -5.00 113.70 110.05 2dmi s SER 67 Ca -0.13 2.02 0.05 0.00 1.31 0.00 0.00 55.95 59.20 2dmi s SER 67 Cb -0.05 -2.61 0.25 0.00 0.21 0.00 0.00 66.02 63.82 2dmi s SER 67 CO 0.04 0.05 0.77 0.18 0.41 0.00 0.00 173.24 174.69 2dmi n LEU 68 N 1.60 3.87 -4.02 2.44 7.99 -1.26 -5.09 117.00 122.53 2dmi n LEU 68 Ca -0.01 -5.42 -0.18 0.00 -0.01 0.00 0.00 56.01 50.38 2dmi n LEU 68 Cb 0.47 -0.71 0.14 0.00 -0.11 0.00 0.00 43.42 43.21 2dmi n LEU 68 CO 0.51 2.02 -0.03 0.00 -1.51 0.00 0.00 177.39 178.38 2dmi n LEU 69 N 0.94 -1.41 -3.64 2.23 -0.00 -1.26 -5.05 117.00 108.81 2dmi n LEU 69 Ca 0.29 -0.37 -0.08 0.00 -0.00 0.00 0.00 56.01 55.85 2dmi n LEU 69 Cb 0.40 -0.77 -0.07 0.00 -0.00 0.00 0.00 43.42 42.99 2dmi n LEU 69 CO 0.42 -3.23 0.54 -1.61 -0.00 0.00 0.00 177.39 173.51 2dmi s GLU 70 N -3.43 0.61 -0.05 1.47 2.02 -1.26 -5.18 118.70 112.88 2dmi s GLU 70 Ca 0.36 0.88 -0.31 0.00 0.02 0.00 0.00 54.97 55.93 2dmi s GLU 70 Cb -0.06 0.21 0.11 0.00 0.10 0.00 0.00 34.13 34.49 2dmi s GLU 70 CO 0.35 -0.10 1.03 0.00 0.02 0.00 0.00 175.26 176.56 2dmi s MET 71 N 0.93 0.66 0.43 1.61 0.23 -1.26 -5.19 119.30 116.71 2dmi s MET 71 Ca -0.04 -0.27 0.06 0.00 -1.03 0.00 0.00 55.69 54.41 2dmi s MET 71 Cb -0.05 0.28 -0.06 0.00 -1.53 0.00 0.00 34.83 33.48 2dmi s MET 71 CO -0.11 -0.29 0.06 -1.83 -2.03 0.00 0.00 175.02 170.83 2dmi s GLU 72 N -2.85 2.07 0.00 3.16 -1.05 -1.26 -5.16 118.70 113.61 2dmi s GLU 72 Ca 0.08 -2.07 0.00 0.00 -0.15 0.00 0.00 54.97 52.83 2dmi s GLU 72 Cb -0.01 -1.73 0.00 0.00 -0.44 0.00 0.00 34.13 31.96 2dmi s GLU 72 CO -0.06 -0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.44 2dmi n GLY 73 N -1.10 5.20 3.56 -3.83 0.00 -1.26 -5.02 105.19 102.75 2dmi n GLY 73 Ca -0.06 -1.60 -0.42 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 4.63 3.86 -0.18 1.61 -0.14 -1.26 -4.96 119.74 123.29 2dmi s LYS 74 Ca 0.00 -1.75 -0.08 0.00 -1.36 0.00 0.00 55.97 52.78 2dmi s LYS 74 Cb 0.00 -5.43 -0.04 0.00 -1.68 0.00 0.00 37.83 30.68 2dmi s LYS 74 CO 0.00 -2.19 0.09 -1.21 -0.76 0.00 0.00 175.35 171.28 2dmi s GLU 75 N 4.23 3.96 -0.20 1.68 2.02 -1.26 -5.07 118.70 124.05 2dmi s GLU 75 Ca 0.50 -0.27 -0.04 0.00 0.02 0.00 0.00 54.97 55.17 2dmi s GLU 75 Cb 0.02 -3.27 0.09 0.00 0.10 0.00 0.00 34.13 31.07 2dmi s GLU 75 CO 0.01 0.36 0.21 0.16 0.02 0.00 0.00 175.26 176.02 2dmi s ASP 76 N 0.15 1.49 -1.20 -0.19 1.47 -1.26 -5.07 116.67 112.06 2dmi s ASP 76 Ca 0.07 -0.27 -0.11 0.00 1.18 0.00 0.00 52.55 53.42 2dmi s ASP 76 Cb -0.12 0.31 0.21 0.00 -0.34 0.00 0.00 42.92 42.98 2dmi s ASP 76 CO -0.00 -0.33 1.47 0.00 0.68 0.00 0.00 175.17 176.99 2dmi n ALA 77 N 5.31 4.40 -2.05 2.11 0.00 -1.26 -4.99 120.51 124.03 2dmi n ALA 77 Ca -0.06 -4.40 -0.19 0.00 0.00 0.00 0.00 53.44 48.79 2dmi n ALA 77 Cb 0.49 -2.85 0.04 0.00 0.00 0.00 0.00 19.45 17.13 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 0.31 2.50 -0.17 0.00 -1.52 -1.26 -5.06 119.66 114.47 2dmi s GLN 78 Ca 0.39 -1.51 0.19 0.00 -1.95 0.00 0.00 55.36 52.48 2dmi s GLN 78 Cb -0.01 -2.65 0.46 0.00 -0.22 0.00 0.00 33.01 30.59 2dmi s GLN 78 CO -0.00 -0.61 1.16 1.17 -0.25 0.00 0.00 175.29 176.76 2dmi n LYS 79 N -2.05 1.41 -3.65 2.91 4.81 -1.26 -5.06 118.16 115.27 2dmi n LYS 79 Ca 0.12 -3.06 -0.14 0.00 -0.87 0.00 0.00 58.31 54.36 2dmi n LYS 79 Cb 0.61 -1.16 -0.08 0.00 0.02 0.00 0.00 35.03 34.42 2dmi n LYS 79 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2dmi s VAL 80 N -2.51 0.00 -0.04 3.15 0.11 -1.26 -5.12 120.40 114.73 2dmi s VAL 80 Ca 0.35 -0.03 -0.33 0.00 -2.93 0.00 0.00 61.98 59.04 2dmi s VAL 80 Cb 0.37 -0.87 -0.11 0.00 -1.53 0.00 0.00 36.38 34.24 2dmi s VAL 80 CO -0.08 -0.02 1.87 0.18 -3.33 0.00 0.00 175.10 173.72 2dmi n LEU 81 N 2.34 3.56 -3.73 2.54 4.77 -1.26 -4.81 117.00 120.41 2dmi n LEU 81 Ca -0.15 0.97 -0.13 0.00 -0.03 0.00 0.00 56.01 56.67 2dmi n LEU 81 Cb 0.56 -1.41 -0.14 0.00 -2.33 0.00 0.00 43.42 40.10 2dmi n LEU 81 CO 0.10 -0.02 -0.17 -0.75 -1.33 0.00 0.00 177.39 175.21 2dmi s LYS 82 N 3.80 0.14 0.11 3.23 2.20 -1.26 0.68 119.74 128.64 2dmi s LYS 82 Ca 0.90 0.48 -0.31 0.00 -0.36 0.00 0.00 55.97 56.69 2dmi s LYS 82 Cb -0.64 -0.15 -0.07 0.00 -1.51 0.00 0.00 37.83 35.45 2dmi s LYS 82 CO 0.48 -0.18 1.26 0.00 -0.36 0.00 0.00 175.35 176.56 2dmi h MET 84 N 6.37 0.00 0.39 0.00 4.05 -1.98 -0.12 114.93 123.64 2dmi h MET 84 Ca -0.43 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.98 2dmi h MET 84 Cb 1.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 2dmi h MET 84 CO 0.81 0.00 -0.19 -0.92 0.23 0.00 0.00 176.91 176.84 2dmi h TYR 85 N 0.00 -0.49 0.00 1.39 5.03 -1.91 -3.42 116.97 117.58 2dmi h TYR 85 Ca 0.00 -0.01 -0.20 0.00 2.58 0.00 0.00 58.73 61.10 2dmi h TYR 85 Cb 0.90 0.16 -0.03 0.00 1.55 0.00 0.00 36.73 39.31 2dmi h TYR 85 CO 0.00 -0.30 -1.42 0.00 -1.32 0.00 0.00 178.16 175.12 2dmi n GLY 87 N 1.43 0.77 2.60 0.00 0.00 -0.06 -5.03 105.19 104.90 2dmi n GLY 87 Ca -0.29 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 2dmi n GLY 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2dmi s HIS 88 N -1.30 0.34 0.61 1.61 5.04 -1.26 -4.91 115.29 115.42 2dmi s HIS 88 Ca 0.00 -0.57 -0.19 0.00 -1.54 0.00 0.00 55.06 52.76 2dmi s HIS 88 Cb 0.00 -0.81 -0.04 0.00 0.04 0.00 0.00 32.58 31.77 2dmi s HIS 88 CO 0.00 -0.63 1.15 0.43 -2.34 0.00 0.00 174.74 173.35 2dmi n SER 89 N 5.24 1.55 -4.17 9.88 7.64 -1.26 -3.93 113.62 128.57 2dmi n SER 89 Ca -0.07 0.85 -0.23 0.00 1.01 0.00 0.00 58.87 60.43 2dmi n SER 89 Cb 0.47 -1.48 -0.09 0.00 -1.01 0.00 0.00 64.21 62.10 2dmi n SER 89 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2dmi s PHE 90 N -1.43 1.78 -0.19 1.43 0.08 0.21 -4.95 117.98 114.91 2dmi s PHE 90 Ca 0.78 -1.23 -0.07 0.00 0.12 0.00 0.00 56.93 56.53 2dmi s PHE 90 Cb -0.41 -1.11 -0.09 0.00 -0.57 0.00 0.00 43.02 40.84 2dmi s PHE 90 CO 0.45 -0.28 -0.22 0.39 -0.10 0.00 0.00 175.22 175.46 2dmi n GLU 91 N -0.78 0.42 -4.27 0.44 1.02 -1.26 -4.19 120.64 112.02 2dmi n GLU 91 Ca -0.04 0.16 -0.23 0.00 -0.02 0.00 0.00 57.16 57.03 2dmi n GLU 91 Cb 0.65 -1.23 -0.07 0.00 -0.02 0.00 0.00 31.44 30.77 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 -6.46 4.55 0.07 1.62 0.01 -1.26 -4.93 113.70 107.30 2dmi s SER 92 Ca -0.26 -0.68 -0.30 0.00 1.31 0.00 0.00 55.95 56.02 2dmi s SER 92 Cb 0.09 -0.82 -0.18 0.00 0.21 0.00 0.00 66.02 65.32 2dmi s SER 92 CO 0.36 -0.05 1.63 -0.07 0.41 0.00 0.00 173.24 175.51 2dmi h LEU 93 N 1.83 -0.58 -0.86 2.44 3.38 -2.00 -3.15 115.31 116.37 2dmi h LEU 93 Ca -0.44 0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.62 2dmi h LEU 93 Cb 1.25 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 42.05 2dmi h LEU 93 CO 0.61 -0.40 -0.51 1.67 0.09 0.00 0.00 178.44 179.90 2dmi n GLN 94 N -5.38 -0.38 -0.33 1.13 -0.06 -1.26 0.12 117.38 111.23 2dmi n GLN 94 Ca -0.12 1.33 0.25 0.00 -2.00 0.00 0.00 57.00 56.46 2dmi n GLN 94 Cb 0.29 -1.95 0.48 0.00 -4.06 0.00 0.00 30.24 25.00 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 0.15 1.69 3.32 -1.96 0.71 116.42 120.52 2dmi h ASP 95 Ca 0.14 0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.42 2dmi h ASP 95 Cb 0.35 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2dmi h ASP 95 CO -0.81 -0.32 -0.07 0.25 -1.72 0.00 0.00 179.24 176.57 2dmi h LEU 96 N 0.10 -0.17 0.62 1.55 7.12 0.94 -2.97 115.31 122.50 2dmi h LEU 96 Ca 0.75 -0.37 -0.03 0.00 0.13 0.00 0.00 57.88 58.36 2dmi h LEU 96 Cb 1.81 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 41.98 2dmi h LEU 96 CO -0.74 0.38 -0.38 0.28 -0.13 0.00 0.00 178.44 177.84 2dmi h SER 97 N -0.84 -0.97 -0.22 1.25 0.02 0.12 -0.11 113.55 112.80 2dmi h SER 97 Ca -0.02 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.05 2dmi h SER 97 Cb 0.53 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 2dmi h SER 97 CO 0.03 -0.59 0.64 1.62 -1.14 0.00 0.00 176.83 177.40 2dmi h VAL 98 N -0.94 0.07 0.05 2.27 3.04 0.16 0.18 116.25 121.08 2dmi h VAL 98 Ca -0.08 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.46 2dmi h VAL 98 Cb 0.75 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 2dmi h VAL 98 CO 0.08 0.00 -0.75 -0.74 -1.01 0.00 0.00 177.57 175.15 2dmi h HIS 99 N 0.00 0.18 -0.87 3.17 -0.00 -1.14 -2.18 115.15 114.32 2dmi h HIS 99 Ca 0.10 -0.13 0.24 0.00 -0.00 0.00 0.00 60.37 60.59 2dmi h HIS 99 Cb 1.39 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 28.75 2dmi h HIS 99 CO 0.00 1.29 0.62 0.52 -0.00 0.00 0.00 177.93 180.36 2dmi h MET 100 N -0.75 0.06 0.00 5.26 2.86 0.12 0.21 114.93 122.69 2dmi h MET 100 Ca -0.18 -0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.33 2dmi h MET 100 Cb 1.34 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.97 2dmi h MET 100 CO -0.02 0.04 -0.88 0.82 1.06 0.00 0.00 176.91 177.93 2dmi h ILE 101 N 0.06 0.65 -0.15 -1.22 2.04 -1.58 0.31 117.51 117.62 2dmi h ILE 101 Ca 0.42 -1.77 0.04 0.00 1.00 0.00 0.00 64.86 64.55 2dmi h ILE 101 Cb 1.58 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 2dmi h ILE 101 CO -0.03 0.22 0.31 0.11 0.00 0.00 0.00 178.15 178.76 2dmi h LYS 102 N -1.00 0.00 0.00 2.37 1.57 -0.93 -0.79 116.57 117.79 2dmi h LYS 102 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2dmi h LYS 102 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2dmi h LYS 102 CO -0.12 0.00 -0.63 0.25 -0.57 0.00 0.00 179.45 178.38 2dmi n THR 103 N -3.31 0.00 -3.79 -0.16 -2.24 0.70 -5.02 114.28 100.47 2dmi n THR 103 Ca 0.01 -0.27 -0.25 0.00 -2.27 0.00 0.00 64.05 61.28 2dmi n THR 103 Cb 0.40 0.74 0.03 0.00 -2.10 0.00 0.00 70.33 69.40 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 -1.34 -5.09 0.08 -0.78 4.01 0.10 -4.89 118.16 110.25 2dmi n LYS 104 Ca 0.00 0.60 -0.14 0.00 -0.51 0.00 0.00 58.31 58.26 2dmi n LYS 104 Cb 0.08 -5.26 -0.14 0.00 -0.51 0.00 0.00 35.03 29.20 2dmi n LYS 104 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2dmi h HIS 105 N -1.96 0.37 0.00 2.13 3.86 -1.59 -3.26 115.15 114.71 2dmi h HIS 105 Ca -0.60 -0.27 -0.01 0.00 -1.16 0.00 0.00 60.37 58.33 2dmi h HIS 105 Cb 1.37 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.82 2dmi h HIS 105 CO 0.50 1.25 -0.07 0.10 0.86 0.00 0.00 177.93 180.57 2dmi h TYR 106 N 0.06 0.00 0.05 2.45 -0.00 -1.91 -2.43 116.97 115.18 2dmi h TYR 106 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 58.73 58.33 2dmi h TYR 106 Cb 1.95 0.00 0.01 0.00 0.00 0.00 0.00 36.73 38.69 2dmi h TYR 106 CO 0.05 0.07 -1.05 0.37 -0.00 0.00 0.00 178.16 177.60 2dmi h GLN 107 N 0.00 0.39 -3.32 0.10 -0.00 -1.85 -3.40 115.11 107.03 2dmi h GLN 107 Ca -0.00 -0.48 -0.63 0.00 -0.00 0.00 0.00 58.65 57.54 2dmi h GLN 107 Cb 0.33 0.15 -0.41 0.00 0.00 0.00 0.00 27.48 27.55 2dmi h GLN 107 CO 0.01 1.16 -0.65 0.15 0.00 0.00 0.00 178.83 179.49 2dmi s LYS 108 N -3.08 1.82 0.00 1.69 -0.14 -0.92 -4.85 119.74 114.27 2dmi s LYS 108 Ca -0.06 -2.48 0.00 0.00 -1.36 0.00 0.00 55.97 52.08 2dmi s LYS 108 Cb 0.08 -3.10 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 2dmi s LYS 108 CO 0.88 -1.12 0.30 1.33 -0.76 0.00 0.00 175.35 175.97 2dmi n VAL 109 N 3.22 0.00 -3.77 3.17 0.24 -1.24 -4.84 118.33 115.12 2dmi n VAL 109 Ca 0.06 -0.47 -0.07 0.00 -2.04 0.00 0.00 64.34 61.81 2dmi n VAL 109 Cb 0.33 1.03 -0.01 0.00 -1.47 0.00 0.00 33.84 33.72 2dmi n VAL 109 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2dmi n SER 110 N -0.36 -0.78 0.00 -1.34 7.64 -1.26 -5.04 113.62 112.48 2dmi n SER 110 Ca 0.00 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.91 2dmi n SER 110 Cb 0.01 1.42 0.00 0.00 -1.01 0.00 0.00 64.21 64.63 2dmi n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmi n GLY 111 N -0.30 0.13 3.07 0.23 0.00 -1.26 -5.17 105.19 101.89 2dmi n GLY 111 Ca -0.00 0.52 -0.26 0.00 0.00 0.00 0.00 46.02 46.27 2dmi n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmi n PRO 112 N 0.00 -2.90 -3.98 1.61 -0.04 -1.26 -5.09 135.00 123.35 2dmi n PRO 112 Ca 0.00 -1.53 -0.13 0.00 -0.04 0.00 0.00 63.50 61.80 2dmi n PRO 112 Cb 0.00 -1.44 -0.14 0.00 -0.04 0.00 0.00 33.50 31.89 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 -4.08 0.24 -0.15 3.54 0.15 -1.26 -5.07 113.70 107.06 2dmi s SER 113 Ca 0.62 -0.09 -0.11 0.00 0.70 0.00 0.00 55.95 57.07 2dmi s SER 113 Cb -0.06 -0.01 -0.05 0.00 -1.71 0.00 0.00 66.02 64.19 2dmi s SER 113 CO 0.48 -0.01 -0.16 -1.54 1.20 0.00 0.00 173.24 173.21 2dmi n SER 114 N 2.86 1.83 0.00 5.45 3.41 -1.26 -5.37 113.62 120.54 2dmi n SER 114 Ca -0.14 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 2dmi n SER 114 Cb 0.59 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2dmi n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49