#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 -0.09 0.09 1.61 0.15 -1.26 -5.19 113.70 109.01 2dmi s SER 2 Ca 0.00 -0.25 -0.27 0.00 0.70 0.00 0.00 55.95 56.13 2dmi s SER 2 Cb 0.00 0.29 0.08 0.00 -1.71 0.00 0.00 66.02 64.68 2dmi s SER 2 CO 0.00 -0.53 1.04 -0.44 1.20 0.00 0.00 173.24 174.50 2dmi s SER 3 N -3.01 -0.16 0.00 5.45 0.01 -1.26 -5.14 113.70 109.58 2dmi s SER 3 Ca 0.14 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2dmi s SER 3 Cb 0.02 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.65 2dmi s SER 3 CO -0.01 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.52 2dmi n GLY 4 N -0.45 2.33 3.32 3.44 0.00 -1.26 -5.16 105.19 107.41 2dmi n GLY 4 Ca -0.07 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.38 -0.20 1.61 0.15 -1.26 -5.15 113.70 108.47 2dmi s SER 5 Ca 0.00 1.07 -0.13 0.00 0.70 0.00 0.00 55.95 57.59 2dmi s SER 5 Cb 0.00 1.47 0.06 0.00 -1.71 0.00 0.00 66.02 65.85 2dmi s SER 5 CO 0.00 -0.23 0.51 -0.94 1.20 0.00 0.00 173.24 173.78 2dmi s SER 6 N 2.64 -0.64 0.00 5.45 1.04 -1.26 -5.12 113.70 115.81 2dmi s SER 6 Ca -0.02 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.50 2dmi s SER 6 Cb -0.12 0.99 0.00 0.00 0.10 0.00 0.00 66.02 66.99 2dmi s SER 6 CO -0.14 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.49 2dmi n GLY 7 N 3.97 -1.16 3.05 7.32 0.00 -1.26 -5.15 105.19 111.96 2dmi n GLY 7 Ca -0.20 0.92 -0.30 0.00 0.00 0.00 0.00 46.02 46.43 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 2.40 -0.05 1.61 -0.14 -1.26 -5.11 119.74 117.19 2dmi s LYS 8 Ca 0.00 -0.61 -0.30 0.00 -1.36 0.00 0.00 55.97 53.71 2dmi s LYS 8 Cb 0.00 -2.13 -0.03 0.00 -1.68 0.00 0.00 37.83 33.99 2dmi s LYS 8 CO 0.00 -0.18 1.08 -0.48 -0.76 0.00 0.00 175.35 175.01 2dmi s LEU 9 N 1.32 4.30 -0.18 3.17 0.05 -1.26 -5.03 118.68 121.04 2dmi s LEU 9 Ca 0.02 1.70 -0.09 0.00 0.05 0.00 0.00 54.13 55.81 2dmi s LEU 9 Cb -0.13 -3.56 -0.05 0.00 -2.05 0.00 0.00 46.19 40.40 2dmi s LEU 9 CO -0.08 -0.46 0.11 -0.31 -0.55 0.00 0.00 176.35 175.06 2dmi s TYR 10 N 1.76 3.39 0.00 3.48 2.02 -1.26 -4.97 117.35 121.78 2dmi s TYR 10 Ca 0.53 0.29 0.00 0.00 -0.37 0.00 0.00 57.07 57.52 2dmi s TYR 10 Cb -0.22 -2.09 0.00 0.00 -0.40 0.00 0.00 41.96 39.25 2dmi s TYR 10 CO 0.22 0.33 0.00 0.41 -1.57 0.00 0.00 175.55 174.95 2dmi n GLY 11 N 3.23 3.36 3.28 0.71 0.00 -1.26 -5.16 105.19 109.34 2dmi n GLY 11 Ca -0.17 -1.02 0.03 0.00 0.00 0.00 0.00 46.02 44.86 2dmi n GLY 11 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmi s SER 12 N 0.00 -0.55 -0.08 1.61 1.04 -1.26 -5.16 113.70 109.30 2dmi s SER 12 Ca 0.00 0.57 -0.09 0.00 0.48 0.00 0.00 55.95 56.91 2dmi s SER 12 Cb 0.00 1.55 -0.05 0.00 0.10 0.00 0.00 66.02 67.63 2dmi s SER 12 CO 0.00 -0.10 0.22 0.27 0.98 0.00 0.00 173.24 174.61 2dmi s ILE 13 N 2.62 5.36 0.38 -1.02 -4.36 -1.26 -5.10 121.20 117.82 2dmi s ILE 13 Ca -0.00 0.38 0.03 0.00 -0.26 0.00 0.00 60.65 60.80 2dmi s ILE 13 Cb -0.08 -3.50 -0.01 0.00 1.25 0.00 0.00 42.46 40.12 2dmi s ILE 13 CO -0.15 0.59 0.56 0.12 0.24 0.00 0.00 174.94 176.29 2dmi s PHE 14 N -1.07 3.23 -1.34 1.37 5.36 -1.26 -4.96 117.98 119.31 2dmi s PHE 14 Ca 0.18 0.06 0.07 0.00 -0.96 0.00 0.00 56.93 56.28 2dmi s PHE 14 Cb -0.13 -2.09 0.34 0.00 -0.34 0.00 0.00 43.02 40.80 2dmi s PHE 14 CO 0.08 -0.12 1.11 2.41 -1.46 0.00 0.00 175.22 177.24 2dmi n THR 15 N -1.83 1.01 -1.01 0.12 -1.04 -1.26 -4.79 114.28 105.47 2dmi n THR 15 Ca -0.01 0.25 -0.05 0.00 -2.04 0.00 0.00 64.05 62.21 2dmi n THR 15 Cb 0.58 -1.14 -0.02 0.00 -1.82 0.00 0.00 70.33 67.93 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 -0.71 0.45 3.54 3.41 0.00 -1.26 -4.92 105.19 105.69 2dmi n GLY 16 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.27 2.85 -0.19 4.61 0.00 -1.26 -5.11 121.76 121.39 2dmi s ALA 17 Ca 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 2dmi s ALA 17 Cb 0.00 -1.14 0.09 0.00 0.00 0.00 0.00 23.12 22.08 2dmi s ALA 17 CO 0.00 0.55 0.40 -1.12 0.00 0.00 0.00 175.76 175.59 2dmi s SER 18 N -0.73 -0.14 -0.15 0.00 0.01 -1.26 -4.99 113.70 106.44 2dmi s SER 18 Ca 0.11 0.88 -0.17 0.00 1.31 0.00 0.00 55.95 58.08 2dmi s SER 18 Cb -0.11 1.26 -0.14 0.00 0.21 0.00 0.00 66.02 67.23 2dmi s SER 18 CO 0.01 -0.24 0.29 0.11 0.41 0.00 0.00 173.24 173.82 2dmi h LYS 19 N 8.19 0.00 -5.39 12.44 6.56 -1.81 -3.46 116.57 133.10 2dmi h LYS 19 Ca -0.16 0.00 -0.64 0.00 -1.06 0.00 0.00 60.65 58.79 2dmi h LYS 19 Cb 1.11 0.00 -0.20 0.00 -0.57 0.00 0.00 32.23 32.57 2dmi h LYS 19 CO 0.13 0.59 -0.65 -0.06 -2.06 0.00 0.00 179.45 177.41 2dmi s PHE 20 N -2.10 3.06 -0.12 -1.35 0.40 -0.90 -5.05 117.98 111.93 2dmi s PHE 20 Ca -0.16 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 55.99 2dmi s PHE 20 Cb 0.01 -1.95 0.02 0.00 0.51 0.00 0.00 43.02 41.60 2dmi s PHE 20 CO 0.42 0.05 -0.15 1.03 0.70 0.00 0.00 175.22 177.27 2dmi s ARG 21 N 0.21 2.24 -1.24 0.44 0.52 -1.26 -0.98 118.95 118.88 2dmi s ARG 21 Ca -0.01 -0.56 -0.20 0.00 -0.52 0.00 0.00 55.73 54.44 2dmi s ARG 21 Cb -0.14 -1.94 0.01 0.00 0.52 0.00 0.00 34.95 33.40 2dmi s ARG 21 CO 0.02 -0.10 1.80 0.00 0.02 0.00 0.00 175.30 177.05 2dmi n LYS 23 N 8.39 -0.14 -0.05 0.00 3.00 -1.18 -0.78 118.16 127.40 2dmi n LYS 23 Ca 0.47 1.04 -0.01 0.00 -0.00 0.00 0.00 58.31 59.80 2dmi n LYS 23 Cb 0.46 -1.55 -0.01 0.00 0.00 0.00 0.00 35.03 33.94 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 -5.01 -0.12 -3.98 3.14 -0.08 -1.24 -4.61 116.55 104.66 2dmi n ASP 24 Ca 0.08 0.85 -0.14 0.00 -1.51 0.00 0.00 54.79 54.07 2dmi n ASP 24 Cb 0.28 -0.35 0.04 0.00 2.34 0.00 0.00 41.12 43.43 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 -2.40 5.93 -4.62 0.00 7.64 -1.26 -4.61 113.62 114.30 2dmi n SER 26 Ca 0.08 -3.31 -0.24 0.00 1.01 0.00 0.00 58.87 56.41 2dmi n SER 26 Cb 0.41 -0.94 -0.08 0.00 -1.01 0.00 0.00 64.21 62.59 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 -2.60 3.17 0.11 -0.43 0.00 -1.26 -5.04 121.76 115.70 2dmi s ALA 27 Ca 0.44 -1.91 -0.19 0.00 0.00 0.00 0.00 51.96 50.30 2dmi s ALA 27 Cb 0.36 -0.42 0.04 0.00 0.00 0.00 0.00 23.12 23.10 2dmi s ALA 27 CO 0.02 0.11 0.46 0.00 0.00 0.00 0.00 175.76 176.35 2dmi s ALA 28 N -2.49 -1.13 0.08 0.00 0.00 -1.26 -1.00 121.76 115.96 2dmi s ALA 28 Ca 0.34 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.53 2dmi s ALA 28 Cb -0.01 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 2dmi s ALA 28 CO 0.19 -0.62 -0.09 0.71 0.00 0.00 0.00 175.76 175.95 2dmi s TYR 29 N -3.41 0.95 -0.02 0.00 2.02 -0.15 -4.96 117.35 111.78 2dmi s TYR 29 Ca 0.00 -0.67 -0.22 0.00 -0.37 0.00 0.00 57.07 55.81 2dmi s TYR 29 Cb 0.01 -0.53 -0.22 0.00 -0.40 0.00 0.00 41.96 40.81 2dmi s TYR 29 CO -0.09 -0.05 1.10 -0.44 -1.57 0.00 0.00 175.55 174.50 2dmi h ASP 30 N 3.67 0.34 -3.36 2.29 5.19 -1.94 -2.39 116.42 120.22 2dmi h ASP 30 Ca -0.37 -0.72 -0.66 0.00 -0.62 0.00 0.00 57.03 54.66 2dmi h ASP 30 Cb 1.19 -0.10 -0.13 0.00 0.18 0.00 0.00 39.33 40.47 2dmi h ASP 30 CO 0.52 1.02 -0.65 0.42 -3.12 0.00 0.00 179.24 177.43 2dmi s THR 31 N -3.33 4.08 0.10 0.35 -4.23 -1.26 -4.43 115.64 106.91 2dmi s THR 31 Ca -0.15 -0.83 -0.16 0.00 -1.18 0.00 0.00 61.69 59.37 2dmi s THR 31 Cb 0.02 -2.89 -0.06 0.00 1.34 0.00 0.00 72.50 70.91 2dmi s THR 31 CO 0.77 0.22 1.50 0.25 -0.54 0.00 0.00 174.62 176.82 2dmi h LEU 32 N 3.80 0.60 -1.71 4.79 5.85 -1.99 -2.54 115.31 124.11 2dmi h LEU 32 Ca -0.48 -0.36 0.19 0.00 0.84 0.00 0.00 57.88 58.06 2dmi h LEU 32 Cb 1.17 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2dmi h LEU 32 CO 0.59 0.83 0.70 1.62 -0.34 0.00 0.00 178.44 181.84 2dmi h VAL 33 N 0.37 0.25 0.13 1.05 3.04 -2.00 0.25 116.25 119.33 2dmi h VAL 33 Ca 0.08 0.00 -0.36 0.00 -1.01 0.00 0.00 66.70 65.41 2dmi h VAL 33 Cb 0.56 0.44 -0.02 0.00 -2.01 0.00 0.00 31.29 30.27 2dmi h VAL 33 CO 0.03 0.00 -1.96 -0.33 -1.01 0.00 0.00 177.57 174.30 2dmi h GLU 34 N 0.00 0.27 -0.24 4.17 4.39 -1.92 -3.37 114.58 117.88 2dmi h GLU 34 Ca 0.31 -0.46 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 2dmi h GLU 34 Cb 1.71 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.52 2dmi h GLU 34 CO -0.00 1.22 0.08 1.25 -1.16 0.00 0.00 179.01 180.40 2dmi h LEU 35 N 0.04 0.35 -0.44 1.33 5.85 -0.24 -3.23 115.31 118.97 2dmi h LEU 35 Ca -0.42 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.16 2dmi h LEU 35 Cb 2.02 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.89 2dmi h LEU 35 CO 0.09 0.45 -0.43 0.71 -0.34 0.00 0.00 178.44 178.91 2dmi h THR 36 N 0.23 0.00 -0.81 1.05 1.35 -0.94 0.38 112.91 114.17 2dmi h THR 36 Ca 0.08 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 66.06 2dmi h THR 36 Cb 0.22 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 66.51 2dmi h THR 36 CO -0.00 0.00 -0.33 0.52 -0.25 0.00 0.00 175.52 175.45 2dmi n VAL 37 N -4.73 -0.44 0.01 6.82 0.31 -1.22 0.41 118.33 119.48 2dmi n VAL 37 Ca -0.02 1.91 -0.12 0.00 -0.01 0.00 0.00 64.34 66.11 2dmi n VAL 37 Cb 0.24 -2.51 -0.07 0.00 -0.91 0.00 0.00 33.84 30.60 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 0.08 -0.28 3.52 -0.00 -1.29 0.37 115.15 117.55 2dmi h HIS 38 Ca 0.27 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.70 2dmi h HIS 38 Cb 0.47 -0.02 -0.07 0.00 -0.00 0.00 0.00 27.41 27.78 2dmi h HIS 38 CO -0.73 0.16 -0.24 0.52 -0.00 0.00 0.00 177.93 177.65 2dmi h MET 39 N -0.02 -0.21 0.11 5.26 2.86 0.20 0.38 114.93 123.50 2dmi h MET 39 Ca 0.02 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2dmi h MET 39 Cb 0.11 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2dmi h MET 39 CO -0.00 -0.14 -0.05 -0.91 1.06 0.00 0.00 176.91 176.86 2dmi h ASN 40 N -0.22 -0.13 0.08 1.22 2.35 -0.50 1.94 115.58 120.32 2dmi h ASN 40 Ca 0.15 -0.32 0.01 0.00 -0.55 0.00 0.00 56.30 55.59 2dmi h ASN 40 Cb 0.45 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 2dmi h ASN 40 CO -0.41 0.27 -0.33 -0.33 -1.65 0.00 0.00 177.43 174.98 2dmi h GLU 41 N -0.55 -0.45 0.00 0.81 4.39 0.04 -2.65 114.58 116.17 2dmi h GLU 41 Ca -0.02 0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 2dmi h GLU 41 Cb 0.44 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 2dmi h GLU 41 CO 0.03 -0.30 -0.58 1.79 -1.16 0.00 0.00 179.01 178.78 2dmi h THR 42 N -0.47 1.28 0.00 1.13 1.35 -0.35 -3.47 112.91 112.37 2dmi h THR 42 Ca -0.00 -2.10 0.00 0.00 -0.55 0.00 0.00 66.41 63.75 2dmi h THR 42 Cb 0.47 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 2dmi h THR 42 CO -0.18 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 2dmi n GLY 43 N 0.43 1.46 2.66 5.82 0.00 0.54 -5.04 105.19 111.06 2dmi n GLY 43 Ca -0.01 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.80 -2.96 -3.85 1.61 8.25 0.50 -4.93 115.22 112.04 2dmi n HIS 44 Ca 0.00 -1.26 -0.12 0.00 -0.26 0.00 0.00 57.72 56.09 2dmi n HIS 44 Cb 0.09 -0.47 -0.10 0.00 1.12 0.00 0.00 29.99 30.62 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 -1.91 -0.02 1.12 4.41 2.02 -1.26 -4.42 117.35 117.29 2dmi s TYR 45 Ca 0.45 0.02 -0.18 0.00 -0.37 0.00 0.00 57.07 56.99 2dmi s TYR 45 Cb -0.03 -0.02 0.28 0.00 -0.40 0.00 0.00 41.96 41.80 2dmi s TYR 45 CO 0.29 -0.24 0.63 2.89 -1.57 0.00 0.00 175.55 177.56 2dmi n ARG 46 N 1.84 -3.75 -0.91 -0.62 0.00 -1.26 -3.13 116.66 108.83 2dmi n ARG 46 Ca -0.20 -1.07 0.03 0.00 -0.00 0.00 0.00 57.85 56.61 2dmi n ARG 46 Cb 0.56 -1.47 0.16 0.00 -0.00 0.00 0.00 32.46 31.71 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 -4.55 1.86 -5.01 2.89 5.75 -0.50 -4.12 116.55 112.86 2dmi n ASP 47 Ca 0.10 -3.55 -0.19 0.00 -0.01 0.00 0.00 54.79 51.14 2dmi n ASP 47 Cb 0.44 -0.48 0.03 0.00 -1.03 0.00 0.00 41.12 40.09 2dmi n ASP 47 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2dmi s ASP 48 N -3.07 5.25 1.08 -1.12 1.11 -1.26 -4.96 116.67 113.70 2dmi s ASP 48 Ca 0.38 -0.72 -0.19 0.00 0.18 0.00 0.00 52.55 52.19 2dmi s ASP 48 Cb 0.38 -0.08 0.05 0.00 1.07 0.00 0.00 42.92 44.33 2dmi s ASP 48 CO -0.08 -1.08 -0.22 0.59 1.18 0.00 0.00 175.17 175.57 2dmi n ASN 49 N -2.02 -2.54 -3.59 0.27 3.02 -1.26 -5.04 115.26 104.09 2dmi n ASN 49 Ca 0.11 -0.05 -0.16 0.00 -0.03 0.00 0.00 54.58 54.45 2dmi n ASN 49 Cb 0.61 -0.91 -0.07 0.00 -0.61 0.00 0.00 39.78 38.81 2dmi n ASN 49 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2dmi s HIS 50 N -2.21 -0.72 -0.53 3.10 -3.43 -1.26 -5.06 115.29 105.19 2dmi s HIS 50 Ca 0.53 1.56 0.02 0.00 -0.80 0.00 0.00 55.06 56.36 2dmi s HIS 50 Cb -0.09 0.32 0.43 0.00 -1.43 0.00 0.00 32.58 31.81 2dmi s HIS 50 CO 0.67 -0.46 1.60 0.39 -2.00 0.00 0.00 174.74 174.93 2dmi n GLU 51 N 1.97 3.14 -3.90 -0.38 1.02 -1.26 -4.94 120.64 116.29 2dmi n GLU 51 Ca -0.16 -3.83 -0.29 0.00 -0.02 0.00 0.00 57.16 52.87 2dmi n GLU 51 Cb 0.56 -2.28 -0.16 0.00 -0.02 0.00 0.00 31.44 29.54 2dmi n GLU 51 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2dmi s THR 52 N -4.91 1.18 -0.27 2.62 -4.23 -1.26 -5.10 115.64 103.68 2dmi s THR 52 Ca 0.55 -0.75 -0.27 0.00 -1.18 0.00 0.00 61.69 60.05 2dmi s THR 52 Cb 0.45 -1.39 0.16 0.00 1.34 0.00 0.00 72.50 73.06 2dmi s THR 52 CO -0.09 0.07 1.21 -0.62 -0.54 0.00 0.00 174.62 174.66 2dmi s ASP 53 N 1.59 -0.24 -1.83 3.99 2.15 -1.26 -4.95 116.67 116.11 2dmi s ASP 53 Ca -0.01 0.40 0.00 0.00 0.43 0.00 0.00 52.55 53.38 2dmi s ASP 53 Cb -0.16 0.39 0.00 0.00 -0.30 0.00 0.00 42.92 42.85 2dmi s ASP 53 CO -0.08 -0.12 0.00 0.59 -0.17 0.00 0.00 175.17 175.39 2dmi n ASN 54 N 1.48 -5.42 -0.05 -0.34 3.02 -1.26 -4.88 115.26 107.81 2dmi n ASN 54 Ca -0.09 0.22 -0.14 0.00 -0.03 0.00 0.00 54.58 54.53 2dmi n ASN 54 Cb 0.57 -4.53 -0.07 0.00 -0.61 0.00 0.00 39.78 35.13 2dmi n ASN 54 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2dmi h ASN 55 N 0.00 0.53 -3.45 6.41 -1.07 -2.00 -3.41 115.58 112.60 2dmi h ASN 55 Ca -0.43 -0.57 -0.69 0.00 0.07 0.00 0.00 56.30 54.68 2dmi h ASN 55 Cb 1.30 -0.15 -0.19 0.00 -2.07 0.00 0.00 38.32 37.20 2dmi h ASN 55 CO 0.56 1.01 -0.14 0.54 0.07 0.00 0.00 177.43 179.46 2dmi s ASN 56 N -6.44 6.21 0.00 6.14 4.22 -1.26 -4.92 114.94 118.88 2dmi s ASN 56 Ca -0.13 -0.77 0.15 0.00 -2.14 0.00 0.00 52.86 49.96 2dmi s ASN 56 Cb 0.06 -2.24 0.89 0.00 1.28 0.00 0.00 41.25 41.23 2dmi s ASN 56 CO 0.80 -0.67 1.30 -0.81 -2.04 0.00 0.00 177.10 175.68 2dmi n PRO 57 N 5.73 0.49 -2.80 3.55 -0.04 -1.26 -4.83 135.00 135.83 2dmi n PRO 57 Ca -0.07 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.22 2dmi n PRO 57 Cb 0.47 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.97 -0.90 -1.26 0.54 -0.00 -1.26 -4.68 118.16 109.64 2dmi n LYS 58 Ca 0.11 0.05 -0.40 0.00 -0.00 0.00 0.00 58.31 58.08 2dmi n LYS 58 Cb 0.05 -1.83 0.00 0.00 -0.00 0.00 0.00 35.03 33.25 2dmi n LYS 58 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2dmi n ARG 59 N -2.01 0.00 -2.63 -1.58 1.85 -1.26 -4.96 116.66 106.07 2dmi n ARG 59 Ca 0.02 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.64 2dmi n ARG 59 Cb 0.20 -0.98 0.12 0.00 -1.05 0.00 0.00 32.46 30.74 2dmi n ARG 59 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2dmi s TRP 60 N -1.80 1.29 0.54 2.89 0.23 -1.26 -5.13 118.94 115.71 2dmi s TRP 60 Ca 0.57 -0.39 0.04 0.00 -2.03 0.00 0.00 56.10 54.29 2dmi s TRP 60 Cb -0.57 -2.95 0.03 0.00 0.03 0.00 0.00 33.47 30.01 2dmi s TRP 60 CO 0.63 -1.82 0.26 -1.12 0.96 0.00 0.00 176.95 175.87 2dmi s SER 61 N -4.79 4.45 0.53 2.95 0.01 -1.26 -5.08 113.70 110.50 2dmi s SER 61 Ca 0.68 -1.42 -0.16 0.00 1.31 0.00 0.00 55.95 56.36 2dmi s SER 61 Cb -0.04 0.53 -0.14 0.00 0.21 0.00 0.00 66.02 66.58 2dmi s SER 61 CO 0.45 -1.05 -0.21 2.29 0.41 0.00 0.00 173.24 175.13 2dmi n LYS 62 N -1.61 0.00 0.00 12.44 -0.00 -1.26 -4.95 118.16 122.79 2dmi n LYS 62 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 2dmi n LYS 62 Cb 0.65 -0.90 0.00 0.00 -0.00 0.00 0.00 35.03 34.78 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 1.50 -0.99 -2.99 -1.58 -0.04 -1.26 -5.02 135.00 124.63 2dmi n PRO 63 Ca 0.06 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.19 2dmi n PRO 63 Cb 0.44 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.83 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 -2.94 4.08 0.67 0.54 6.06 -1.26 -5.07 118.95 121.03 2dmi s ARG 64 Ca 0.00 0.85 -0.11 0.00 -2.50 0.00 0.00 55.73 53.96 2dmi s ARG 64 Cb 0.00 -2.32 0.16 0.00 0.06 0.00 0.00 34.95 32.85 2dmi s ARG 64 CO 0.00 0.07 0.63 0.36 -2.50 0.00 0.00 175.30 173.86 2dmi n LYS 65 N -0.53 -1.98 -3.39 5.12 2.85 -1.26 -5.08 118.16 113.88 2dmi n LYS 65 Ca 0.05 -1.01 -0.21 0.00 -1.05 0.00 0.00 58.31 56.09 2dmi n LYS 65 Cb 0.54 -0.89 0.01 0.00 -0.65 0.00 0.00 35.03 34.03 2dmi n LYS 65 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2dmi s ARG 66 N -4.43 2.42 0.44 -1.58 1.04 -1.26 -5.12 118.95 110.47 2dmi s ARG 66 Ca 0.40 -1.66 -0.06 0.00 -1.04 0.00 0.00 55.73 53.37 2dmi s ARG 66 Cb -0.03 -2.45 -0.04 0.00 -2.04 0.00 0.00 34.95 30.38 2dmi s ARG 66 CO 0.30 -0.54 0.75 -1.12 -0.04 0.00 0.00 175.30 174.65 2dmi s SER 67 N -4.38 6.33 -0.52 -2.89 0.01 -1.26 -5.06 113.70 105.93 2dmi s SER 67 Ca 0.50 0.92 0.05 0.00 1.31 0.00 0.00 55.95 58.73 2dmi s SER 67 Cb -0.05 -2.24 0.17 0.00 0.21 0.00 0.00 66.02 64.12 2dmi s SER 67 CO 0.31 -0.49 0.41 -0.11 0.41 0.00 0.00 173.24 173.76 2dmi n LEU 68 N -1.93 0.85 -4.31 2.44 -0.00 -1.26 -5.12 117.00 107.68 2dmi n LEU 68 Ca 0.00 -4.70 -0.38 0.00 -0.00 0.00 0.00 56.01 50.93 2dmi n LEU 68 Cb 0.55 0.07 0.02 0.00 -0.00 0.00 0.00 43.42 44.06 2dmi n LEU 68 CO 0.51 1.84 -0.43 0.18 -0.00 0.00 0.00 177.39 179.49 2dmi n LEU 69 N 2.44 -2.23 -4.71 -1.96 4.32 -1.26 -4.93 117.00 108.67 2dmi n LEU 69 Ca 0.26 0.65 -0.36 0.00 -0.02 0.00 0.00 56.01 56.54 2dmi n LEU 69 Cb 0.43 -0.96 -0.08 0.00 -1.62 0.00 0.00 43.42 41.19 2dmi n LEU 69 CO 0.16 -4.25 -0.13 -1.83 -1.22 0.00 0.00 177.39 170.11 2dmi s GLU 70 N -1.50 4.18 0.73 3.23 -1.05 -1.26 -5.09 118.70 117.94 2dmi s GLU 70 Ca 0.60 -0.14 -0.04 0.00 -0.15 0.00 0.00 54.97 55.24 2dmi s GLU 70 Cb -0.45 -3.45 0.11 0.00 -0.44 0.00 0.00 34.13 29.90 2dmi s GLU 70 CO 0.63 0.23 1.02 -1.64 0.95 0.00 0.00 175.26 176.44 2dmi s MET 71 N 0.56 1.76 1.10 -4.83 -1.94 -1.26 -5.06 119.30 109.63 2dmi s MET 71 Ca 0.10 -0.76 -0.20 0.00 -1.71 0.00 0.00 55.69 53.12 2dmi s MET 71 Cb -0.12 -2.24 0.06 0.00 2.01 0.00 0.00 34.83 34.54 2dmi s MET 71 CO 0.01 -1.44 -0.21 -0.85 -0.01 0.00 0.00 175.02 172.51 2dmi n GLU 72 N -2.93 -1.33 0.00 2.03 0.28 -1.26 -5.03 120.64 112.40 2dmi n GLU 72 Ca 0.12 -0.37 0.00 0.00 -0.16 0.00 0.00 57.16 56.75 2dmi n GLU 72 Cb 0.60 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.87 2dmi n GLU 72 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dmi n GLY 73 N 2.23 1.80 1.74 -1.84 0.00 -1.26 -4.92 105.19 102.94 2dmi n GLY 73 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 2dmi n GLY 73 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dmi n LYS 74 N 0.00 1.46 -0.97 1.61 2.85 -1.26 -4.96 118.16 116.88 2dmi n LYS 74 Ca 0.00 -0.59 -0.31 0.00 -1.05 0.00 0.00 58.31 56.36 2dmi n LYS 74 Cb 0.00 -1.42 0.01 0.00 -0.65 0.00 0.00 35.03 32.97 2dmi n LYS 74 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2dmi n GLU 75 N 1.62 0.00 -0.82 -1.58 2.13 -1.26 -4.70 120.64 116.03 2dmi n GLU 75 Ca 0.18 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.92 2dmi n GLU 75 Cb 0.63 -0.79 -0.07 0.00 0.27 0.00 0.00 31.44 31.47 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 2.06 5.48 -4.25 4.31 2.03 -1.26 -4.71 116.55 120.21 2dmi n ASP 76 Ca 0.06 -2.55 -0.42 0.00 0.52 0.00 0.00 54.79 52.39 2dmi n ASP 76 Cb 0.38 -1.26 -0.02 0.00 -0.72 0.00 0.00 41.12 39.50 2dmi n ASP 76 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dmi n ALA 77 N 1.79 4.12 -3.66 -1.67 0.00 -1.26 -4.95 120.51 114.88 2dmi n ALA 77 Ca 0.25 -4.65 -0.30 0.00 0.00 0.00 0.00 53.44 48.74 2dmi n ALA 77 Cb 0.69 -2.20 -0.14 0.00 0.00 0.00 0.00 19.45 17.81 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 -1.37 0.83 -0.36 0.00 -0.21 -1.26 -5.00 119.66 112.28 2dmi s GLN 78 Ca 0.30 -1.37 -0.03 0.00 0.02 0.00 0.00 55.36 54.27 2dmi s GLN 78 Cb -0.08 -1.92 0.06 0.00 1.00 0.00 0.00 33.01 32.07 2dmi s GLN 78 CO -0.09 -1.08 2.69 1.17 -2.12 0.00 0.00 175.29 175.85 2dmi n LYS 79 N 4.32 2.19 -3.64 2.91 3.00 -1.26 -4.82 118.16 120.87 2dmi n LYS 79 Ca 0.03 -1.97 -0.08 0.00 -0.00 0.00 0.00 58.31 56.29 2dmi n LYS 79 Cb 0.39 -1.98 -0.07 0.00 0.00 0.00 0.00 35.03 33.36 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 -1.84 0.00 -0.43 3.15 0.11 -1.26 -5.10 120.40 115.03 2dmi s VAL 80 Ca 0.52 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.26 2dmi s VAL 80 Cb 0.34 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 34.08 2dmi s VAL 80 CO -0.14 0.00 2.31 0.18 -3.33 0.00 0.00 175.10 174.12 2dmi n LEU 81 N 2.23 2.19 -4.02 2.54 4.77 -1.26 -4.92 117.00 118.53 2dmi n LEU 81 Ca -0.13 0.12 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 2dmi n LEU 81 Cb 0.56 -1.36 -0.11 0.00 -2.33 0.00 0.00 43.42 40.18 2dmi n LEU 81 CO 0.02 -0.93 -0.38 -0.75 -1.33 0.00 0.00 177.39 174.02 2dmi s LYS 82 N 7.07 0.42 -0.40 3.23 2.20 -1.26 -2.26 119.74 128.72 2dmi s LYS 82 Ca 1.08 -0.66 -0.14 0.00 -0.36 0.00 0.00 55.97 55.89 2dmi s LYS 82 Cb -0.63 -0.12 0.02 0.00 -1.51 0.00 0.00 37.83 35.59 2dmi s LYS 82 CO 0.41 0.01 0.29 0.00 -0.36 0.00 0.00 175.35 175.69 2dmi h MET 84 N 8.60 0.51 -0.89 0.00 4.05 -1.96 2.41 114.93 127.66 2dmi h MET 84 Ca -0.27 -0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.21 2dmi h MET 84 Cb 1.12 -0.12 -0.11 0.00 -0.80 0.00 0.00 31.60 31.69 2dmi h MET 84 CO 0.72 0.34 -0.51 0.98 0.23 0.00 0.00 176.91 178.67 2dmi n TYR 85 N -4.85 -0.34 -0.08 1.39 4.19 -1.26 -3.77 117.16 112.43 2dmi n TYR 85 Ca 0.03 1.12 -0.17 0.00 3.31 0.00 0.00 57.90 62.19 2dmi n TYR 85 Cb 0.10 -0.60 -0.06 0.00 0.49 0.00 0.00 39.34 39.27 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 1.88 0.75 3.42 0.00 0.00 0.81 -5.04 105.19 107.01 2dmi n GLY 87 Ca -0.31 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.50 3.05 0.41 1.61 3.76 -1.23 -4.86 115.29 117.53 2dmi s HIS 88 Ca 0.00 -0.53 -0.23 0.00 -0.15 0.00 0.00 55.06 54.15 2dmi s HIS 88 Cb 0.00 -2.17 -0.10 0.00 1.11 0.00 0.00 32.58 31.42 2dmi s HIS 88 CO 0.00 -0.36 0.98 -1.54 -0.85 0.00 0.00 174.74 172.97 2dmi s SER 89 N 1.42 6.92 0.18 1.40 1.04 -1.26 -3.19 113.70 120.21 2dmi s SER 89 Ca 0.05 1.82 0.04 0.00 0.48 0.00 0.00 55.95 58.34 2dmi s SER 89 Cb -0.15 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.40 2dmi s SER 89 CO 0.02 -0.37 0.14 0.49 0.98 0.00 0.00 173.24 174.50 2dmi n PHE 90 N -0.29 -0.37 -0.02 5.02 3.72 -0.96 -5.03 117.46 119.53 2dmi n PHE 90 Ca 0.06 -1.45 -0.07 0.00 -0.05 0.00 0.00 57.45 55.94 2dmi n PHE 90 Cb 0.52 0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 39.18 2dmi n PHE 90 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2dmi n GLU 91 N -0.34 0.16 -4.31 -1.08 1.02 -1.26 -4.63 120.64 110.19 2dmi n GLU 91 Ca 0.03 0.07 -0.23 0.00 -0.02 0.00 0.00 57.16 57.01 2dmi n GLU 91 Cb 0.32 -0.77 -0.08 0.00 -0.02 0.00 0.00 31.44 30.89 2dmi n GLU 91 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2dmi s SER 92 N -5.78 4.45 0.15 1.62 1.04 -1.26 -4.90 113.70 109.03 2dmi s SER 92 Ca -0.10 -0.67 -0.21 0.00 0.48 0.00 0.00 55.95 55.45 2dmi s SER 92 Cb 0.03 -0.80 0.04 0.00 0.10 0.00 0.00 66.02 65.40 2dmi s SER 92 CO 0.13 0.01 1.64 -0.07 0.98 0.00 0.00 173.24 175.93 2dmi h LEU 93 N 2.01 -0.68 -0.57 2.42 3.38 -2.00 -2.73 115.31 117.14 2dmi h LEU 93 Ca -0.44 0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.71 2dmi h LEU 93 Cb 1.25 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 42.26 2dmi h LEU 93 CO 0.60 -0.25 -0.34 1.67 0.09 0.00 0.00 178.44 180.21 2dmi n GLN 94 N -5.36 -0.25 -0.28 1.13 -0.06 -1.26 0.86 117.38 112.15 2dmi n GLN 94 Ca -0.00 1.11 0.09 0.00 -2.00 0.00 0.00 57.00 56.20 2dmi n GLN 94 Cb 0.27 -1.64 0.22 0.00 -4.06 0.00 0.00 30.24 25.03 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 -0.28 0.40 1.69 5.19 -1.91 0.43 116.42 121.95 2dmi h ASP 95 Ca 0.09 0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.69 2dmi h ASP 95 Cb 0.24 0.35 0.00 0.00 0.18 0.00 0.00 39.33 40.10 2dmi h ASP 95 CO -0.54 -0.20 -0.19 0.25 -3.12 0.00 0.00 179.24 175.43 2dmi h LEU 96 N 0.12 -0.46 0.28 1.55 7.12 0.53 -2.79 115.31 121.66 2dmi h LEU 96 Ca 0.48 -0.10 -0.01 0.00 0.13 0.00 0.00 57.88 58.39 2dmi h LEU 96 Cb 0.92 0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 41.16 2dmi h LEU 96 CO -0.71 -0.16 -0.24 0.28 -0.13 0.00 0.00 178.44 177.48 2dmi h SER 97 N -0.77 -0.63 -0.78 1.25 0.02 0.86 0.36 113.55 113.86 2dmi h SER 97 Ca -0.06 0.05 0.22 0.00 -0.84 0.00 0.00 61.79 61.17 2dmi h SER 97 Cb 0.53 0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 2dmi h SER 97 CO 0.09 -0.33 1.05 1.62 -1.14 0.00 0.00 176.83 178.12 2dmi h VAL 98 N -0.51 0.05 0.00 2.27 3.04 -0.31 0.29 116.25 121.09 2dmi h VAL 98 Ca -0.04 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.59 2dmi h VAL 98 Cb 0.43 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 29.82 2dmi h VAL 98 CO -0.00 0.00 -0.41 -0.74 -1.01 0.00 0.00 177.57 175.41 2dmi h HIS 99 N 0.00 0.00 -1.00 3.17 -0.00 -0.99 -2.94 115.15 113.39 2dmi h HIS 99 Ca 0.37 0.00 0.18 0.00 -0.00 0.00 0.00 60.37 60.92 2dmi h HIS 99 Cb 2.47 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 29.77 2dmi h HIS 99 CO 0.00 0.71 0.61 0.52 -0.00 0.00 0.00 177.93 179.77 2dmi h MET 100 N -1.00 0.78 0.40 5.26 2.86 0.16 0.37 114.93 123.76 2dmi h MET 100 Ca -0.09 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 2dmi h MET 100 Cb 0.75 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2dmi h MET 100 CO -0.05 0.52 -0.19 0.82 1.06 0.00 0.00 176.91 179.06 2dmi h ILE 101 N 0.80 0.41 0.36 -1.22 2.04 -1.33 1.00 117.51 119.57 2dmi h ILE 101 Ca 0.56 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2dmi h ILE 101 Cb 0.82 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2dmi h ILE 101 CO -0.36 0.08 -0.39 0.11 0.00 0.00 0.00 178.15 177.59 2dmi h LYS 102 N -0.98 -0.75 0.00 2.37 1.57 -1.25 -2.19 116.57 115.34 2dmi h LYS 102 Ca -0.05 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2dmi h LYS 102 Cb 0.54 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 2dmi h LYS 102 CO 0.09 -0.50 -0.11 1.79 -0.57 0.00 0.00 179.45 180.15 2dmi h THR 103 N -0.77 0.27 -5.31 -0.16 1.35 -0.39 -3.47 112.91 104.42 2dmi h THR 103 Ca -0.02 -0.87 -0.28 0.00 -0.55 0.00 0.00 66.41 64.68 2dmi h THR 103 Cb 0.70 1.69 0.16 0.00 -1.73 0.00 0.00 68.15 68.98 2dmi h THR 103 CO -0.08 0.11 -0.73 0.29 -0.25 0.00 0.00 175.52 174.86 2dmi n LYS 104 N -3.23 -4.89 -0.09 4.72 4.01 0.33 -4.96 118.16 114.05 2dmi n LYS 104 Ca 0.01 0.78 -0.23 0.00 -0.51 0.00 0.00 58.31 58.36 2dmi n LYS 104 Cb 0.39 -5.55 -0.12 0.00 -0.51 0.00 0.00 35.03 29.24 2dmi n LYS 104 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2dmi n HIS 105 N -3.64 0.82 -0.35 2.13 8.25 -0.42 -4.06 115.22 117.95 2dmi n HIS 105 Ca -0.21 0.30 -0.01 0.00 -0.26 0.00 0.00 57.72 57.54 2dmi n HIS 105 Cb 0.64 -1.09 0.04 0.00 1.12 0.00 0.00 29.99 30.70 2dmi n HIS 105 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 2dmi h TYR 106 N -0.73 -1.04 0.31 4.41 -0.00 -1.94 -0.34 116.97 117.63 2dmi h TYR 106 Ca -0.45 0.10 0.00 0.00 -0.00 0.00 0.00 58.73 58.39 2dmi h TYR 106 Cb 1.55 0.59 -0.03 0.00 -0.00 0.00 0.00 36.73 38.84 2dmi h TYR 106 CO 0.05 -0.40 -0.43 0.37 -0.00 0.00 0.00 178.16 177.75 2dmi h GLN 107 N -0.03 -0.76 -6.56 0.10 5.75 -1.87 -3.38 115.11 108.36 2dmi h GLN 107 Ca 0.33 0.05 -0.57 0.00 -0.15 0.00 0.00 58.65 58.32 2dmi h GLN 107 Cb 0.59 0.17 -0.07 0.00 1.07 0.00 0.00 27.48 29.25 2dmi h GLN 107 CO -0.94 -0.51 0.90 0.21 -2.65 0.00 0.00 178.83 175.84 2dmi s LYS 108 N -5.92 3.86 0.06 1.69 2.20 -0.14 -4.78 119.74 116.71 2dmi s LYS 108 Ca -0.17 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 2dmi s LYS 108 Cb 0.06 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 2dmi s LYS 108 CO 0.62 -1.20 0.00 0.28 -0.36 0.00 0.00 175.35 174.70 2dmi n VAL 109 N 6.47 0.17 -4.75 4.02 0.31 -1.26 -4.77 118.33 118.51 2dmi n VAL 109 Ca 0.12 0.06 -0.33 0.00 -0.01 0.00 0.00 64.34 64.18 2dmi n VAL 109 Cb 0.48 -0.99 -0.08 0.00 -0.91 0.00 0.00 33.84 32.34 2dmi n VAL 109 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2dmi s SER 110 N -5.13 4.08 -0.25 4.52 1.04 -1.26 -5.07 113.70 111.62 2dmi s SER 110 Ca 0.00 -1.66 -0.02 0.00 0.48 0.00 0.00 55.95 54.75 2dmi s SER 110 Cb 0.00 0.54 0.14 0.00 0.10 0.00 0.00 66.02 66.80 2dmi s SER 110 CO 0.00 -0.86 0.38 -0.83 0.98 0.00 0.00 173.24 172.91 2dmi s GLY 111 N -3.87 -0.43 0.74 7.32 0.00 -1.26 -5.16 107.32 104.65 2dmi s GLY 111 Ca 0.06 0.82 -0.12 0.00 0.00 0.00 0.00 44.72 45.48 2dmi s GLY 111 CO 0.03 2.72 0.65 -1.55 0.00 0.00 0.00 173.10 174.95 2dmi n PRO 112 N 5.36 -2.31 -3.53 2.90 -0.04 -1.26 -5.10 135.00 131.02 2dmi n PRO 112 Ca -0.03 -1.04 -0.17 0.00 -0.04 0.00 0.00 63.50 62.22 2dmi n PRO 112 Cb 0.50 -0.98 -0.06 0.00 -0.04 0.00 0.00 33.50 32.92 2dmi n PRO 112 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dmi s SER 113 N -3.26 -0.62 0.44 3.54 1.04 -1.26 -5.18 113.70 108.40 2dmi s SER 113 Ca 0.42 0.60 0.03 0.00 0.48 0.00 0.00 55.95 57.49 2dmi s SER 113 Cb -0.04 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 2dmi s SER 113 CO 0.32 -0.64 0.10 -0.55 0.98 0.00 0.00 173.24 173.45 2dmi s SER 114 N -1.36 3.17 0.00 7.02 0.15 -1.26 -5.38 113.70 116.03 2dmi s SER 114 Ca -0.10 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 54.88 2dmi s SER 114 Cb -0.00 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2dmi s SER 114 CO 0.07 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.21