#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 3.27 0.18 1.61 0.01 -1.26 -5.17 113.70 112.35 2dmi s SER 2 Ca 0.00 -1.62 -0.24 0.00 1.31 0.00 0.00 55.95 55.40 2dmi s SER 2 Cb 0.00 0.39 0.06 0.00 0.21 0.00 0.00 66.02 66.69 2dmi s SER 2 CO 0.00 -0.84 0.95 -0.44 0.41 0.00 0.00 173.24 173.31 2dmi s SER 3 N -3.69 -0.15 -0.19 2.44 0.01 -1.26 -5.19 113.70 105.67 2dmi s SER 3 Ca 0.20 -0.50 -0.33 0.00 1.31 0.00 0.00 55.95 56.62 2dmi s SER 3 Cb 0.03 0.53 0.14 0.00 0.21 0.00 0.00 66.02 66.93 2dmi s SER 3 CO 0.11 -0.99 1.19 -0.83 0.41 0.00 0.00 173.24 173.13 2dmi s GLY 4 N -3.02 -0.24 -0.30 3.44 0.00 -1.26 -5.16 107.32 100.79 2dmi s GLY 4 Ca 0.14 1.83 -0.14 0.00 0.00 0.00 0.00 44.72 46.54 2dmi s GLY 4 CO 0.04 0.68 1.07 -1.35 0.00 0.00 0.00 173.10 173.53 2dmi s SER 5 N -1.87 -0.43 0.65 1.64 1.04 -1.26 -5.17 113.70 108.30 2dmi s SER 5 Ca 0.08 0.33 -0.14 0.00 0.48 0.00 0.00 55.95 56.69 2dmi s SER 5 Cb -0.01 1.38 -0.01 0.00 0.10 0.00 0.00 66.02 67.49 2dmi s SER 5 CO -0.05 -0.08 1.08 -0.44 0.98 0.00 0.00 173.24 174.74 2dmi s SER 6 N 2.81 5.34 0.00 7.02 0.01 -1.26 -4.88 113.70 122.74 2dmi s SER 6 Ca -0.01 1.87 0.00 0.00 1.31 0.00 0.00 55.95 59.12 2dmi s SER 6 Cb -0.09 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2dmi s SER 6 CO -0.12 -1.47 0.00 0.61 0.41 0.00 0.00 173.24 172.67 2dmi n GLY 7 N -0.92 -2.29 2.74 3.44 0.00 -1.26 -4.95 105.19 101.95 2dmi n GLY 7 Ca 0.09 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.52 2dmi n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dmi s LYS 8 N -4.61 1.71 0.17 1.61 2.36 -1.26 -5.09 119.74 114.63 2dmi s LYS 8 Ca 0.00 -2.58 0.06 0.00 -2.55 0.00 0.00 55.97 50.90 2dmi s LYS 8 Cb 0.00 -2.64 -0.04 0.00 -1.05 0.00 0.00 37.83 34.10 2dmi s LYS 8 CO 0.00 -1.25 -0.13 -0.51 1.55 0.00 0.00 175.35 175.01 2dmi s LEU 9 N -0.44 2.52 -0.42 5.43 1.43 -1.26 -5.08 118.68 120.87 2dmi s LEU 9 Ca 0.23 -0.99 0.11 0.00 -1.03 0.00 0.00 54.13 52.46 2dmi s LEU 9 Cb -0.11 -0.54 0.38 0.00 0.03 0.00 0.00 46.19 45.95 2dmi s LEU 9 CO -0.10 -0.22 0.89 -1.22 0.23 0.00 0.00 176.35 175.92 2dmi n TYR 10 N -0.17 1.77 -3.17 0.29 4.01 -1.26 -5.03 117.16 113.60 2dmi n TYR 10 Ca -0.10 -3.52 -0.00 0.00 -0.16 0.00 0.00 57.90 54.12 2dmi n TYR 10 Cb 0.60 -0.38 -0.00 0.00 -0.31 0.00 0.00 39.34 39.25 2dmi n TYR 10 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dmi n GLY 11 N -0.03 -0.08 2.76 2.72 0.00 -1.26 -4.95 105.19 104.35 2dmi n GLY 11 Ca 0.25 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.93 3.76 -0.41 1.61 1.04 -1.26 -4.96 113.70 112.55 2dmi s SER 12 Ca -0.00 -3.11 -0.02 0.00 0.48 0.00 0.00 55.95 53.30 2dmi s SER 12 Cb 0.00 -1.21 0.22 0.00 0.10 0.00 0.00 66.02 65.13 2dmi s SER 12 CO 0.01 -0.19 2.16 -0.38 0.98 0.00 0.00 173.24 175.82 2dmi n ILE 13 N 2.92 3.03 -2.00 -1.02 5.41 -1.26 -4.92 119.36 121.51 2dmi n ILE 13 Ca 0.14 -2.16 -0.40 0.00 1.00 0.00 0.00 62.75 61.34 2dmi n ILE 13 Cb 0.36 -1.36 -0.03 0.00 -0.71 0.00 0.00 39.64 37.91 2dmi n ILE 13 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2dmi s PHE 14 N -2.16 1.69 -0.13 1.39 0.08 -1.26 -4.93 117.98 112.66 2dmi s PHE 14 Ca 0.42 0.79 -0.10 0.00 0.12 0.00 0.00 56.93 58.16 2dmi s PHE 14 Cb 0.31 -4.07 0.04 0.00 -0.57 0.00 0.00 43.02 38.73 2dmi s PHE 14 CO -0.05 -2.51 0.32 0.99 -0.10 0.00 0.00 175.22 173.87 2dmi s THR 15 N 8.53 -0.01 0.08 0.64 2.01 -1.26 -5.13 115.64 120.50 2dmi s THR 15 Ca 0.73 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.76 2dmi s THR 15 Cb -0.16 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 71.89 2dmi s THR 15 CO 0.25 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 2dmi n GLY 16 N 3.30 -1.91 3.00 4.40 0.00 -1.26 -5.08 105.19 107.64 2dmi n GLY 16 Ca -0.16 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 2dmi n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmi n ALA 17 N -2.31 -0.90 -4.02 4.61 0.00 -1.26 -5.16 120.51 111.46 2dmi n ALA 17 Ca -0.00 -1.21 -0.31 0.00 0.00 0.00 0.00 53.44 51.91 2dmi n ALA 17 Cb 0.12 0.97 -0.16 0.00 0.00 0.00 0.00 19.45 20.38 2dmi n ALA 17 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dmi s SER 18 N -2.78 2.86 0.03 0.00 0.01 -1.26 -4.99 113.70 107.57 2dmi s SER 18 Ca 0.19 -0.55 -0.26 0.00 1.31 0.00 0.00 55.95 56.64 2dmi s SER 18 Cb -0.03 -1.30 -0.17 0.00 0.21 0.00 0.00 66.02 64.73 2dmi s SER 18 CO 0.14 -0.02 1.41 0.11 0.41 0.00 0.00 173.24 175.28 2dmi h LYS 19 N 7.94 -0.31 -6.17 12.44 6.56 -1.79 -3.45 116.57 131.79 2dmi h LYS 19 Ca -0.41 0.02 -0.56 0.00 -1.06 0.00 0.00 60.65 58.64 2dmi h LYS 19 Cb 1.14 0.07 -0.10 0.00 -0.57 0.00 0.00 32.23 32.77 2dmi h LYS 19 CO 0.57 -0.04 -0.64 -0.06 -2.06 0.00 0.00 179.45 177.22 2dmi s PHE 20 N -5.13 2.64 -0.16 -1.35 0.40 -1.06 -5.05 117.98 108.27 2dmi s PHE 20 Ca -0.15 -0.27 -0.07 0.00 -0.60 0.00 0.00 56.93 55.84 2dmi s PHE 20 Cb 0.03 -1.25 0.06 0.00 0.51 0.00 0.00 43.02 42.38 2dmi s PHE 20 CO 0.60 0.59 0.36 1.03 0.70 0.00 0.00 175.22 178.50 2dmi s ARG 21 N -3.68 0.31 0.18 0.44 0.52 -1.26 -3.02 118.95 112.43 2dmi s ARG 21 Ca 0.32 0.77 -0.30 0.00 -0.52 0.00 0.00 55.73 56.00 2dmi s ARG 21 Cb -0.05 0.01 -0.08 0.00 0.52 0.00 0.00 34.95 35.35 2dmi s ARG 21 CO 0.20 -0.19 1.13 0.00 0.02 0.00 0.00 175.30 176.45 2dmi h LYS 23 N 5.17 -0.29 -0.18 0.00 3.64 -1.66 -3.38 116.57 119.88 2dmi h LYS 23 Ca -0.44 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.98 2dmi h LYS 23 Cb 1.21 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 2dmi h LYS 23 CO 0.73 -0.19 -0.20 0.22 -2.27 0.00 0.00 179.45 177.74 2dmi h ASP 24 N -0.61 -0.67 -2.76 4.20 1.82 -1.91 -3.41 116.42 113.07 2dmi h ASP 24 Ca -0.03 0.09 -0.52 0.00 -0.39 0.00 0.00 57.03 56.18 2dmi h ASP 24 Cb 0.23 0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.50 2dmi h ASP 24 CO 0.05 -0.13 -0.33 0.00 -1.61 0.00 0.00 179.24 177.22 2dmi n SER 26 N -0.85 4.82 -4.69 0.00 7.64 -1.26 -4.19 113.62 115.09 2dmi n SER 26 Ca -0.05 -2.58 -0.36 0.00 1.01 0.00 0.00 58.87 56.89 2dmi n SER 26 Cb 0.54 -0.89 -0.09 0.00 -1.01 0.00 0.00 64.21 62.76 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 -0.81 3.64 0.20 -0.43 0.00 -1.26 -4.95 121.76 118.16 2dmi s ALA 27 Ca 0.14 -0.78 0.10 0.00 0.00 0.00 0.00 51.96 51.41 2dmi s ALA 27 Cb 0.11 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 2dmi s ALA 27 CO 0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 175.76 175.61 2dmi s ALA 28 N 0.76 2.90 0.11 0.00 0.00 -1.26 -1.45 121.76 122.81 2dmi s ALA 28 Ca 0.08 -1.56 0.03 0.00 0.00 0.00 0.00 51.96 50.51 2dmi s ALA 28 Cb -0.12 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 2dmi s ALA 28 CO 0.02 0.42 -0.08 0.71 0.00 0.00 0.00 175.76 176.83 2dmi s TYR 29 N -1.86 1.00 -0.08 0.00 2.02 -1.17 -5.01 117.35 112.25 2dmi s TYR 29 Ca 0.26 -0.84 -0.26 0.00 -0.37 0.00 0.00 57.07 55.86 2dmi s TYR 29 Cb -0.08 -0.55 -0.26 0.00 -0.40 0.00 0.00 41.96 40.67 2dmi s TYR 29 CO 0.15 -0.07 0.92 0.38 -1.57 0.00 0.00 175.55 175.36 2dmi h ASP 30 N 2.99 0.17 -3.77 2.29 2.03 -1.94 -2.82 116.42 115.38 2dmi h ASP 30 Ca -0.36 -0.88 -0.68 0.00 -0.73 0.00 0.00 57.03 54.39 2dmi h ASP 30 Cb 1.17 -0.05 -0.19 0.00 -0.83 0.00 0.00 39.33 39.43 2dmi h ASP 30 CO 0.63 1.03 -0.74 0.42 -1.03 0.00 0.00 179.24 179.55 2dmi s THR 31 N -2.73 3.34 0.16 1.15 -4.23 -1.26 -4.51 115.64 107.57 2dmi s THR 31 Ca -0.17 -0.86 -0.17 0.00 -1.18 0.00 0.00 61.69 59.31 2dmi s THR 31 Cb -0.01 -2.42 0.07 0.00 1.34 0.00 0.00 72.50 71.48 2dmi s THR 31 CO 0.74 0.42 1.68 0.25 -0.54 0.00 0.00 174.62 177.16 2dmi h LEU 32 N 4.68 -0.32 -0.99 4.79 5.85 -2.00 -1.56 115.31 125.77 2dmi h LEU 32 Ca -0.48 0.11 0.31 0.00 0.84 0.00 0.00 57.88 58.66 2dmi h LEU 32 Cb 1.16 0.22 -0.18 0.00 0.37 0.00 0.00 40.66 42.23 2dmi h LEU 32 CO 0.52 -0.11 0.17 -0.37 -0.34 0.00 0.00 178.44 178.31 2dmi h VAL 33 N 0.01 0.02 -0.19 1.05 -1.51 -1.99 1.73 116.25 115.36 2dmi h VAL 33 Ca 0.17 -0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.53 2dmi h VAL 33 Cb 0.26 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.42 2dmi h VAL 33 CO -0.36 0.00 -0.34 -0.33 -1.23 0.00 0.00 177.57 175.30 2dmi h GLU 34 N 0.01 0.40 0.13 5.19 5.08 -1.71 -2.87 114.58 120.81 2dmi h GLU 34 Ca 0.67 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.85 2dmi h GLU 34 Cb 1.52 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.76 2dmi h GLU 34 CO -0.88 0.69 -0.06 1.25 -1.00 0.00 0.00 179.01 179.01 2dmi h LEU 35 N 0.34 -0.15 -0.04 1.33 5.85 0.26 -3.28 115.31 119.62 2dmi h LEU 35 Ca 0.04 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.38 2dmi h LEU 35 Cb 0.77 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2dmi h LEU 35 CO 0.06 0.38 -0.21 0.71 -0.34 0.00 0.00 178.44 179.04 2dmi h THR 36 N -0.77 0.00 -1.42 1.05 1.35 -0.52 0.19 112.91 112.80 2dmi h THR 36 Ca -0.02 0.00 0.45 0.00 -0.55 0.00 0.00 66.41 66.29 2dmi h THR 36 Cb 0.54 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.86 2dmi h THR 36 CO 0.03 0.00 0.98 0.55 -0.25 0.00 0.00 175.52 176.83 2dmi n VAL 37 N -3.67 -0.11 0.01 6.82 3.14 -1.08 0.17 118.33 123.60 2dmi n VAL 37 Ca -0.02 1.40 -0.20 0.00 -2.96 0.00 0.00 64.34 62.56 2dmi n VAL 37 Cb 0.15 -2.31 -0.14 0.00 -1.06 0.00 0.00 33.84 30.48 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 0.41 -0.75 1.45 -0.00 -1.02 -2.66 115.15 112.58 2dmi h HIS 38 Ca 0.77 -0.30 0.07 0.00 -0.00 0.00 0.00 60.37 60.91 2dmi h HIS 38 Cb 2.80 -0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 30.14 2dmi h HIS 38 CO -0.00 1.37 0.43 0.52 -0.00 0.00 0.00 177.93 180.25 2dmi h MET 39 N -0.46 0.76 0.06 5.26 2.86 0.45 -0.59 114.93 123.26 2dmi h MET 39 Ca -0.20 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2dmi h MET 39 Cb 1.59 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.08 2dmi h MET 39 CO 0.08 0.50 -0.03 -0.91 1.06 0.00 0.00 176.91 177.61 2dmi h ASN 40 N 0.78 -0.07 0.05 1.22 2.35 -1.07 0.69 115.58 119.52 2dmi h ASN 40 Ca 0.34 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2dmi h ASN 40 Cb 0.22 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 2dmi h ASN 40 CO -0.19 0.48 -0.21 -0.33 -1.65 0.00 0.00 177.43 175.52 2dmi h GLU 41 N -0.64 -0.29 -0.04 0.81 4.39 -1.24 -3.20 114.58 114.37 2dmi h GLU 41 Ca -0.01 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2dmi h GLU 41 Cb 0.55 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2dmi h GLU 41 CO 0.01 -0.19 -0.04 1.79 -1.16 0.00 0.00 179.01 179.42 2dmi h THR 42 N -0.30 1.39 0.00 1.13 1.35 -1.25 -3.48 112.91 111.76 2dmi h THR 42 Ca -0.00 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 2dmi h THR 42 Cb 0.30 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2dmi h THR 42 CO -0.11 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 2dmi n GLY 43 N 0.27 1.96 2.13 5.82 0.00 0.21 -5.07 105.19 110.51 2dmi n GLY 43 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.21 -3.29 -3.75 1.61 8.25 0.45 -4.96 115.22 113.33 2dmi n HIS 44 Ca 0.00 -0.91 -0.13 0.00 -0.26 0.00 0.00 57.72 56.42 2dmi n HIS 44 Cb 0.00 -0.43 -0.10 0.00 1.12 0.00 0.00 29.99 30.58 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 -1.77 -0.40 1.08 4.41 2.02 -1.26 -4.60 117.35 116.83 2dmi s TYR 45 Ca 0.37 0.97 -0.17 0.00 -0.37 0.00 0.00 57.07 57.87 2dmi s TYR 45 Cb -0.02 0.14 0.15 0.00 -0.40 0.00 0.00 41.96 41.83 2dmi s TYR 45 CO 0.25 -0.20 0.18 2.89 -1.57 0.00 0.00 175.55 177.10 2dmi n ARG 46 N 2.82 -2.15 -1.97 -0.62 1.85 -1.26 -2.37 116.66 112.96 2dmi n ARG 46 Ca -0.13 -0.63 -0.04 0.00 -1.00 0.00 0.00 57.85 56.04 2dmi n ARG 46 Cb 0.57 -1.57 0.06 0.00 -1.05 0.00 0.00 32.46 30.48 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 -1.57 2.33 -4.67 2.89 5.75 -1.15 -4.31 116.55 115.81 2dmi n ASP 47 Ca 0.04 -2.77 -0.29 0.00 -0.01 0.00 0.00 54.79 51.77 2dmi n ASP 47 Cb 0.48 -0.41 0.12 0.00 -1.03 0.00 0.00 41.12 40.27 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 -3.26 4.11 -0.06 -1.12 1.11 -1.26 -5.00 116.67 111.18 2dmi s ASP 48 Ca 0.37 0.60 -0.14 0.00 0.18 0.00 0.00 52.55 53.55 2dmi s ASP 48 Cb 0.37 -0.97 -0.05 0.00 1.07 0.00 0.00 42.92 43.34 2dmi s ASP 48 CO -0.05 -2.14 0.37 0.20 1.18 0.00 0.00 175.17 174.73 2dmi s ASN 49 N -4.67 6.68 0.35 0.27 -0.87 -1.26 -5.07 114.94 110.37 2dmi s ASN 49 Ca 0.65 0.80 -0.17 0.00 -1.57 0.00 0.00 52.86 52.58 2dmi s ASN 49 Cb -0.09 -2.23 0.05 0.00 -0.02 0.00 0.00 41.25 38.97 2dmi s ASN 49 CO 0.50 0.23 0.81 -1.38 -2.57 0.00 0.00 177.10 174.69 2dmi s HIS 50 N -0.47 0.07 0.54 2.20 -3.43 -1.26 -5.18 115.29 107.77 2dmi s HIS 50 Ca 0.22 -0.69 -0.03 0.00 -0.80 0.00 0.00 55.06 53.76 2dmi s HIS 50 Cb -0.15 0.81 0.01 0.00 -1.43 0.00 0.00 32.58 31.82 2dmi s HIS 50 CO 0.10 -1.45 0.80 -1.21 -2.00 0.00 0.00 174.74 170.98 2dmi s GLU 51 N -2.49 2.86 0.11 -0.38 2.02 -1.26 -5.12 118.70 114.45 2dmi s GLU 51 Ca 0.16 -0.32 -0.00 0.00 0.02 0.00 0.00 54.97 54.82 2dmi s GLU 51 Cb -0.05 -2.40 -0.04 0.00 0.10 0.00 0.00 34.13 31.74 2dmi s GLU 51 CO 0.10 -0.58 0.01 0.95 0.02 0.00 0.00 175.26 175.76 2dmi s THR 52 N -2.81 0.31 0.64 3.63 -4.23 -1.26 -5.01 115.64 106.90 2dmi s THR 52 Ca 0.53 -1.90 0.31 0.00 -1.18 0.00 0.00 61.69 59.45 2dmi s THR 52 Cb -0.10 -1.89 0.34 0.00 1.34 0.00 0.00 72.50 72.19 2dmi s THR 52 CO 0.41 -0.65 1.99 0.44 -0.54 0.00 0.00 174.62 176.27 2dmi h ASP 53 N 2.92 0.00 -1.38 3.99 3.32 -2.09 -3.41 116.42 119.76 2dmi h ASP 53 Ca -0.35 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.22 2dmi h ASP 53 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 2dmi h ASP 53 CO 0.62 0.00 -0.32 0.21 -1.72 0.00 0.00 179.24 178.04 2dmi s ASN 54 N -4.88 5.22 -0.07 6.45 3.84 -1.26 -5.13 114.94 119.11 2dmi s ASN 54 Ca -0.04 -0.68 -0.00 0.00 0.21 0.00 0.00 52.86 52.35 2dmi s ASN 54 Cb 0.12 -0.48 0.03 0.00 -0.55 0.00 0.00 41.25 40.36 2dmi s ASN 54 CO 0.39 -0.76 -0.03 0.20 -2.79 0.00 0.00 177.10 174.11 2dmi s ASN 55 N -4.25 1.55 -0.19 -4.21 0.01 -1.26 -5.09 114.94 101.50 2dmi s ASN 55 Ca 0.50 -0.14 -0.09 0.00 -0.71 0.00 0.00 52.86 52.42 2dmi s ASN 55 Cb -0.05 -0.53 -0.05 0.00 0.41 0.00 0.00 41.25 41.03 2dmi s ASN 55 CO 0.30 -0.14 0.11 0.54 -1.51 0.00 0.00 177.10 176.40 2dmi s ASN 56 N 1.61 6.03 0.00 -1.22 4.22 -1.26 -4.97 114.94 119.36 2dmi s ASN 56 Ca 0.00 0.20 0.15 0.00 -2.14 0.00 0.00 52.86 51.07 2dmi s ASN 56 Cb -0.13 -2.04 0.83 0.00 1.28 0.00 0.00 41.25 41.19 2dmi s ASN 56 CO -0.04 0.19 1.38 -0.81 -2.04 0.00 0.00 177.10 175.78 2dmi n PRO 57 N 3.42 0.33 -1.27 3.55 -0.04 -1.26 -3.57 135.00 136.16 2dmi n PRO 57 Ca -0.16 0.08 -0.24 0.00 -0.04 0.00 0.00 63.50 63.14 2dmi n PRO 57 Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.16 2.20 -3.80 0.54 5.02 -1.26 -4.78 118.16 114.92 2dmi n LYS 58 Ca 0.09 -2.11 -0.34 0.00 -2.02 0.00 0.00 58.31 53.93 2dmi n LYS 58 Cb 0.09 -1.96 -0.11 0.00 -0.02 0.00 0.00 35.03 33.03 2dmi n LYS 58 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2dmi s ARG 59 N -1.85 2.36 0.09 1.97 1.70 -1.23 -5.04 118.95 116.95 2dmi s ARG 59 Ca 0.49 -2.58 -0.25 0.00 -0.47 0.00 0.00 55.73 52.92 2dmi s ARG 59 Cb 0.34 -3.59 0.09 0.00 -0.57 0.00 0.00 34.95 31.22 2dmi s ARG 59 CO -0.14 -1.15 1.16 -1.58 -1.08 0.00 0.00 175.30 172.51 2dmi s TRP 60 N -0.16 0.04 0.08 5.89 0.23 -1.26 -5.18 118.94 118.57 2dmi s TRP 60 Ca 0.17 -0.30 -0.27 0.00 -2.03 0.00 0.00 56.10 53.68 2dmi s TRP 60 Cb -0.22 0.63 0.08 0.00 0.03 0.00 0.00 33.47 33.99 2dmi s TRP 60 CO -0.02 -0.60 0.87 -1.54 0.96 0.00 0.00 176.95 176.61 2dmi s SER 61 N -3.54 -0.33 0.21 2.95 1.04 -1.26 -5.17 113.70 107.61 2dmi s SER 61 Ca 0.24 -0.16 -0.12 0.00 0.48 0.00 0.00 55.95 56.40 2dmi s SER 61 Cb -0.01 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 66.49 2dmi s SER 61 CO 0.02 -0.79 0.58 -0.54 0.98 0.00 0.00 173.24 173.49 2dmi s LYS 62 N -3.29 3.90 1.16 4.02 3.01 -1.26 -5.09 119.74 122.19 2dmi s LYS 62 Ca 0.07 0.41 -0.19 0.00 -1.01 0.00 0.00 55.97 55.25 2dmi s LYS 62 Cb -0.01 -2.72 0.29 0.00 -1.01 0.00 0.00 37.83 34.38 2dmi s LYS 62 CO -0.05 0.35 1.03 -0.35 0.51 0.00 0.00 175.35 176.84 2dmi n PRO 63 N 0.16 -3.03 -3.59 -1.68 -0.04 -1.26 -5.10 135.00 120.46 2dmi n PRO 63 Ca -0.01 -1.64 -0.14 0.00 -0.04 0.00 0.00 63.50 61.67 2dmi n PRO 63 Cb 0.52 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 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 -5.33 0.80 0.65 0.54 6.06 -1.26 -5.17 118.95 115.24 2dmi s ARG 64 Ca 0.67 0.60 -0.09 0.00 -2.50 0.00 0.00 55.73 54.41 2dmi s ARG 64 Cb -0.07 0.38 0.01 0.00 0.06 0.00 0.00 34.95 35.33 2dmi s ARG 64 CO 0.51 -0.17 1.02 0.15 -2.50 0.00 0.00 175.30 174.31 2dmi s LYS 65 N -0.28 2.97 0.27 5.12 1.02 -1.26 -5.10 119.74 122.48 2dmi s LYS 65 Ca -0.03 0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.31 2dmi s LYS 65 Cb -0.03 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 2dmi s LYS 65 CO 0.02 -0.85 0.15 -0.98 -0.92 0.00 0.00 175.35 172.76 2dmi s ARG 66 N -5.20 1.48 0.14 1.68 1.70 -1.26 -5.17 118.95 112.32 2dmi s ARG 66 Ca 0.56 -1.82 0.05 0.00 -0.47 0.00 0.00 55.73 54.05 2dmi s ARG 66 Cb -0.11 -0.03 -0.04 0.00 -0.57 0.00 0.00 34.95 34.20 2dmi s ARG 66 CO 0.49 -0.41 0.09 -1.54 -1.08 0.00 0.00 175.30 172.85 2dmi s SER 67 N -3.31 5.34 -0.51 -2.89 1.04 -1.26 -5.08 113.70 107.02 2dmi s SER 67 Ca 0.37 -0.15 0.06 0.00 0.48 0.00 0.00 55.95 56.71 2dmi s SER 67 Cb 0.06 -1.35 0.22 0.00 0.10 0.00 0.00 66.02 65.05 2dmi s SER 67 CO 0.16 0.11 0.54 0.18 0.98 0.00 0.00 173.24 175.21 2dmi n LEU 68 N -0.03 1.49 -4.48 2.42 4.32 -1.26 -5.08 117.00 114.38 2dmi n LEU 68 Ca -0.09 -4.92 -0.34 0.00 -0.02 0.00 0.00 56.01 50.64 2dmi n LEU 68 Cb 0.54 0.04 -0.12 0.00 -1.62 0.00 0.00 43.42 42.25 2dmi n LEU 68 CO 0.42 1.97 -0.35 -0.76 -1.22 0.00 0.00 177.39 177.46 2dmi s LEU 69 N -1.33 3.24 -0.41 2.23 2.01 -1.26 -5.02 118.68 118.14 2dmi s LEU 69 Ca 0.34 -0.16 0.11 0.00 0.01 0.00 0.00 54.13 54.43 2dmi s LEU 69 Cb 0.10 -1.79 0.40 0.00 0.01 0.00 0.00 46.19 44.91 2dmi s LEU 69 CO -0.11 0.13 0.93 -1.84 1.01 0.00 0.00 176.35 176.47 2dmi n GLU 70 N 3.78 2.03 -0.52 1.70 -0.00 -1.26 -4.88 120.64 121.49 2dmi n GLU 70 Ca -0.17 -3.89 -0.10 0.00 -0.00 0.00 0.00 57.16 53.00 2dmi n GLU 70 Cb 0.52 -1.79 0.08 0.00 -0.00 0.00 0.00 31.44 30.25 2dmi n GLU 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2dmi n MET 71 N -0.10 1.54 -4.32 3.44 0.00 -1.26 -4.85 117.12 111.57 2dmi n MET 71 Ca 0.24 -1.27 -0.20 0.00 0.00 0.00 0.00 57.70 56.47 2dmi n MET 71 Cb 0.66 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 32.25 2dmi n MET 71 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2dmi s GLU 72 N -1.40 0.91 0.00 0.03 2.02 -1.26 -5.12 118.70 113.88 2dmi s GLU 72 Ca 0.24 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.43 2dmi s GLU 72 Cb 0.20 -0.92 0.00 0.00 0.10 0.00 0.00 34.13 33.51 2dmi s GLU 72 CO 0.05 0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.96 2dmi n GLY 73 N 1.77 3.79 2.83 -1.39 0.00 -1.26 -5.09 105.19 105.84 2dmi n GLY 73 Ca -0.19 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 1.72 -3.03 1.61 5.02 -1.26 -5.09 118.16 117.12 2dmi n LYS 74 Ca 0.00 -4.38 -0.20 0.00 -2.02 0.00 0.00 58.31 51.71 2dmi n LYS 74 Cb 0.00 -2.23 0.01 0.00 -0.02 0.00 0.00 35.03 32.80 2dmi n LYS 74 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2dmi s GLU 75 N -1.38 2.90 -0.70 1.97 0.41 -1.26 -4.95 118.70 115.69 2dmi s GLU 75 Ca 0.26 -0.85 -0.38 0.00 -0.41 0.00 0.00 54.97 53.60 2dmi s GLU 75 Cb -0.02 -2.65 -0.20 0.00 -1.78 0.00 0.00 34.13 29.48 2dmi s GLU 75 CO -0.17 -0.29 2.37 -0.40 -0.49 0.00 0.00 175.26 176.28 2dmi n ASP 76 N -1.98 0.64 -4.37 -0.19 5.68 -1.26 -4.81 116.55 110.26 2dmi n ASP 76 Ca 0.04 0.45 -0.44 0.00 -0.50 0.00 0.00 54.79 54.34 2dmi n ASP 76 Cb 0.59 -0.93 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 2dmi n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dmi n ALA 77 N 8.94 4.14 -0.11 2.12 0.00 -1.26 -4.66 120.51 129.68 2dmi n ALA 77 Ca 0.59 -4.36 -0.13 0.00 0.00 0.00 0.00 53.44 49.53 2dmi n ALA 77 Cb 0.01 -2.90 -0.13 0.00 0.00 0.00 0.00 19.45 16.44 2dmi n ALA 77 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2dmi n GLN 78 N 4.69 0.75 0.01 0.00 0.00 -1.26 -4.61 117.38 116.96 2dmi n GLN 78 Ca 0.34 0.08 -0.12 0.00 -0.00 0.00 0.00 57.00 57.29 2dmi n GLN 78 Cb 0.41 -1.48 -0.08 0.00 0.00 0.00 0.00 30.24 29.09 2dmi n GLN 78 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 2dmi h LYS 79 N 0.00 -0.47 -6.03 3.69 1.57 -2.00 -3.42 116.57 109.91 2dmi h LYS 79 Ca -0.52 0.03 -0.60 0.00 -1.87 0.00 0.00 60.65 57.69 2dmi h LYS 79 Cb 1.96 0.11 -0.29 0.00 0.08 0.00 0.00 32.23 34.09 2dmi h LYS 79 CO -0.04 -0.31 -0.85 0.54 -0.57 0.00 0.00 179.45 178.22 2dmi s VAL 80 N -5.15 1.64 0.21 0.50 0.11 -1.26 -5.10 120.40 111.34 2dmi s VAL 80 Ca -0.12 -0.96 -0.32 0.00 -2.93 0.00 0.00 61.98 57.64 2dmi s VAL 80 Cb 0.05 -1.38 -0.12 0.00 -1.53 0.00 0.00 36.38 33.41 2dmi s VAL 80 CO 0.48 0.39 1.70 0.18 -3.33 0.00 0.00 175.10 174.53 2dmi n LEU 81 N 2.38 3.93 -3.82 2.54 4.77 -1.26 -4.91 117.00 120.63 2dmi n LEU 81 Ca -0.16 1.07 -0.12 0.00 -0.03 0.00 0.00 56.01 56.77 2dmi n LEU 81 Cb 0.53 -1.56 -0.11 0.00 -2.33 0.00 0.00 43.42 39.95 2dmi n LEU 81 CO 0.23 0.13 -0.13 -0.75 -1.33 0.00 0.00 177.39 175.55 2dmi s LYS 82 N 1.06 0.38 -0.47 3.23 2.20 -1.26 -1.68 119.74 123.21 2dmi s LYS 82 Ca 0.75 -0.04 -0.21 0.00 -0.36 0.00 0.00 55.97 56.12 2dmi s LYS 82 Cb -0.52 0.17 0.03 0.00 -1.51 0.00 0.00 37.83 36.00 2dmi s LYS 82 CO 0.34 -0.08 0.67 0.00 -0.36 0.00 0.00 175.35 175.91 2dmi h MET 84 N 8.95 0.63 0.00 0.00 4.05 -1.98 2.36 114.93 128.93 2dmi h MET 84 Ca -0.26 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.12 2dmi h MET 84 Cb 1.09 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 2dmi h MET 84 CO 0.93 0.42 0.00 0.98 0.23 0.00 0.00 176.91 179.46 2dmi n TYR 85 N -4.85 0.00 -0.11 1.39 4.19 -1.26 -4.34 117.16 112.18 2dmi n TYR 85 Ca 0.24 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 61.23 2dmi n TYR 85 Cb 0.64 -0.38 -0.10 0.00 0.49 0.00 0.00 39.34 39.99 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 1.41 0.81 3.19 0.00 0.00 0.79 -4.98 105.19 106.41 2dmi n GLY 87 Ca -0.34 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.74 3.46 0.31 1.61 5.04 -1.26 -4.79 115.29 117.90 2dmi s HIS 88 Ca 0.00 -1.98 -0.29 0.00 -1.54 0.00 0.00 55.06 51.25 2dmi s HIS 88 Cb 0.00 -3.34 -0.13 0.00 0.04 0.00 0.00 32.58 29.16 2dmi s HIS 88 CO 0.00 -0.97 1.36 -1.13 -2.34 0.00 0.00 174.74 171.66 2dmi n SER 89 N 4.82 2.89 -4.40 9.88 3.41 -1.26 -4.18 113.62 124.77 2dmi n SER 89 Ca -0.07 1.18 -0.20 0.00 -0.26 0.00 0.00 58.87 59.53 2dmi n SER 89 Cb 0.41 -1.48 -0.10 0.00 -0.26 0.00 0.00 64.21 62.78 2dmi n SER 89 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2dmi s PHE 90 N -0.66 1.81 -0.24 7.33 0.08 -0.67 -5.02 117.98 120.61 2dmi s PHE 90 Ca 0.60 -1.00 -0.12 0.00 0.12 0.00 0.00 56.93 56.53 2dmi s PHE 90 Cb -0.59 -1.14 -0.16 0.00 -0.57 0.00 0.00 43.02 40.57 2dmi s PHE 90 CO 0.57 -0.07 -0.12 0.39 -0.10 0.00 0.00 175.22 175.89 2dmi n GLU 91 N -0.59 0.61 -4.48 0.44 -0.58 -1.26 -4.19 120.64 110.59 2dmi n GLU 91 Ca -0.02 0.32 -0.25 0.00 -0.42 0.00 0.00 57.16 56.79 2dmi n GLU 91 Cb 0.66 -1.58 -0.10 0.00 -0.57 0.00 0.00 31.44 29.85 2dmi n GLU 91 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2dmi s SER 92 N -7.12 3.75 0.28 1.62 1.04 -1.26 -4.90 113.70 107.11 2dmi s SER 92 Ca -0.34 -1.08 -0.03 0.00 0.48 0.00 0.00 55.95 54.98 2dmi s SER 92 Cb 0.11 -0.37 0.39 0.00 0.10 0.00 0.00 66.02 66.24 2dmi s SER 92 CO 0.56 -0.09 1.91 0.25 0.98 0.00 0.00 173.24 176.85 2dmi h LEU 93 N 2.11 0.94 -0.99 2.42 5.85 -2.00 -3.07 115.31 120.57 2dmi h LEU 93 Ca -0.41 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.34 2dmi h LEU 93 Cb 1.25 -0.24 -0.13 0.00 0.37 0.00 0.00 40.66 41.92 2dmi h LEU 93 CO 0.65 0.75 -0.55 1.67 -0.34 0.00 0.00 178.44 180.63 2dmi n GLN 94 N -4.36 -0.40 0.11 1.25 -0.06 -1.26 0.20 117.38 112.87 2dmi n GLN 94 Ca 0.08 1.50 -0.14 0.00 -2.00 0.00 0.00 57.00 56.44 2dmi n GLN 94 Cb 0.09 -2.21 -0.07 0.00 -4.06 0.00 0.00 30.24 24.00 2dmi n GLN 94 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 2dmi h ASP 95 N 0.00 -1.09 0.10 1.69 1.82 -1.97 -1.11 116.42 115.87 2dmi h ASP 95 Ca 0.19 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.96 2dmi h ASP 95 Cb 0.44 0.41 -0.02 0.00 0.68 0.00 0.00 39.33 40.85 2dmi h ASP 95 CO -0.94 -0.45 -0.22 0.25 -1.61 0.00 0.00 179.24 176.27 2dmi h LEU 96 N -0.59 -0.63 -0.01 2.28 7.12 -1.08 0.18 115.31 122.56 2dmi h LEU 96 Ca 0.03 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.10 2dmi h LEU 96 Cb 0.63 0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.98 2dmi h LEU 96 CO -0.23 -0.25 -0.01 -1.28 -0.13 0.00 0.00 178.44 176.55 2dmi h SER 97 N -0.35 -0.03 -0.63 1.25 0.87 -0.18 0.13 113.55 114.62 2dmi h SER 97 Ca -0.01 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.65 2dmi h SER 97 Cb 0.33 0.01 -0.11 0.00 -0.44 0.00 0.00 62.40 62.19 2dmi h SER 97 CO -0.09 -0.00 -0.41 0.58 -0.53 0.00 0.00 176.83 176.38 2dmi h VAL 98 N -0.00 0.10 -0.65 2.23 2.07 -1.19 0.02 116.25 118.83 2dmi h VAL 98 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 2dmi h VAL 98 Cb 0.01 0.10 -0.12 0.00 -1.52 0.00 0.00 31.29 29.75 2dmi h VAL 98 CO -0.01 0.00 -0.19 -0.74 0.02 0.00 0.00 177.57 176.65 2dmi h HIS 99 N -0.18 -0.44 -0.76 1.57 -0.00 0.31 0.39 115.15 116.04 2dmi h HIS 99 Ca 0.21 0.06 0.17 0.00 -0.00 0.00 0.00 60.37 60.81 2dmi h HIS 99 Cb 0.56 0.29 -0.12 0.00 -0.00 0.00 0.00 27.41 28.14 2dmi h HIS 99 CO -0.71 -0.30 0.12 0.52 -0.00 0.00 0.00 177.93 177.56 2dmi h MET 100 N -0.03 0.19 0.26 5.26 2.86 0.12 0.17 114.93 123.77 2dmi h MET 100 Ca 0.30 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 2dmi h MET 100 Cb 0.50 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2dmi h MET 100 CO -0.68 0.13 -0.13 0.82 1.06 0.00 0.00 176.91 178.11 2dmi h ILE 101 N 0.20 0.00 -0.95 -1.22 5.03 -0.53 0.91 117.51 120.95 2dmi h ILE 101 Ca 0.43 -0.74 0.25 0.00 -0.12 0.00 0.00 64.86 64.67 2dmi h ILE 101 Cb 0.76 0.00 -0.18 0.00 -3.03 0.00 0.00 36.82 34.38 2dmi h ILE 101 CO -0.58 0.00 0.01 0.11 -0.68 0.00 0.00 178.15 177.01 2dmi h LYS 102 N -1.09 0.03 0.00 2.37 1.57 -0.09 0.78 116.57 120.14 2dmi h LYS 102 Ca -0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2dmi h LYS 102 Cb 0.27 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2dmi h LYS 102 CO 0.06 0.02 -0.90 0.25 -0.57 0.00 0.00 179.45 178.30 2dmi n THR 103 N -5.47 0.17 -3.60 -0.16 -2.24 0.58 -4.96 114.28 98.59 2dmi n THR 103 Ca 0.21 -0.20 -0.27 0.00 -2.27 0.00 0.00 64.05 61.52 2dmi n THR 103 Cb 0.69 0.21 0.03 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.90 -5.41 0.12 -0.78 4.01 0.30 -4.90 118.16 109.60 2dmi n LYS 104 Ca 0.03 0.67 -0.13 0.00 -0.51 0.00 0.00 58.31 58.37 2dmi n LYS 104 Cb 0.42 -5.55 -0.08 0.00 -0.51 0.00 0.00 35.03 29.30 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 -1.85 -0.30 -1.21 2.13 3.86 -1.42 -2.97 115.15 113.39 2dmi h HIS 105 Ca -0.54 -0.01 0.35 0.00 -1.16 0.00 0.00 60.37 59.01 2dmi h HIS 105 Cb 1.36 0.10 -0.06 0.00 1.06 0.00 0.00 27.41 29.87 2dmi h HIS 105 CO 0.57 0.05 0.85 0.10 0.86 0.00 0.00 177.93 180.36 2dmi h TYR 106 N -0.69 0.10 -0.47 2.45 -0.00 -1.91 0.53 116.97 116.98 2dmi h TYR 106 Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 58.73 58.56 2dmi h TYR 106 Cb 0.48 -0.03 -0.01 0.00 -0.00 0.00 0.00 36.73 37.17 2dmi h TYR 106 CO 0.03 0.00 -0.24 1.96 -0.00 0.00 0.00 178.16 179.92 2dmi h GLN 107 N 0.05 0.99 -2.64 0.10 1.08 -1.82 -3.28 115.11 109.59 2dmi h GLN 107 Ca 0.59 -0.43 -0.80 0.00 -1.45 0.00 0.00 58.65 56.56 2dmi h GLN 107 Cb 2.24 -0.03 -0.25 0.00 -0.05 0.00 0.00 27.48 29.40 2dmi h GLN 107 CO -0.06 1.11 1.19 1.63 -0.95 0.00 0.00 178.83 181.75 2dmi n LYS 108 N -4.10 4.85 0.00 1.46 4.01 0.19 -4.47 118.16 120.10 2dmi n LYS 108 Ca -0.00 -4.39 0.00 0.00 -0.51 0.00 0.00 58.31 53.41 2dmi n LYS 108 Cb 0.47 -2.54 0.00 0.00 -0.51 0.00 0.00 35.03 32.45 2dmi n LYS 108 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2dmi n VAL 109 N 0.94 0.00 -3.70 -0.18 0.31 -1.23 -4.93 118.33 109.53 2dmi n VAL 109 Ca 0.40 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.37 2dmi n VAL 109 Cb 0.29 -0.96 -0.09 0.00 -0.91 0.00 0.00 33.84 32.17 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 -4.46 5.30 0.00 4.52 1.04 -1.26 -4.91 113.70 113.93 2dmi s SER 110 Ca 0.00 -2.83 0.00 0.00 0.48 0.00 0.00 55.95 53.60 2dmi s SER 110 Cb 0.00 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.25 2dmi s SER 110 CO 0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2dmi n GLY 111 N 3.52 -0.94 3.76 7.32 0.00 -1.26 -5.02 105.19 112.57 2dmi n GLY 111 Ca 0.08 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 2dmi n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmi s PRO 112 N -1.55 4.45 -0.06 1.61 0.04 -1.26 -4.90 135.00 133.32 2dmi s PRO 112 Ca 0.00 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.13 2dmi s PRO 112 Cb 0.00 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.35 2dmi s PRO 112 CO 0.00 -0.09 -0.02 -1.13 0.04 0.00 0.00 177.00 175.80 2dmi n SER 113 N 1.37 3.55 0.01 6.66 3.41 -1.26 -4.92 113.62 122.44 2dmi n SER 113 Ca 0.01 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2dmi n SER 113 Cb 0.43 0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 2dmi n SER 113 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dmi n SER 114 N -2.43 0.15 0.00 4.04 2.88 -1.26 -5.26 113.62 111.74 2dmi n SER 114 Ca -0.11 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2dmi n SER 114 Cb 0.66 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 2dmi n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42