#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 -0.34 -0.14 1.61 0.15 -1.26 -5.18 113.70 108.53 2dmi s SER 2 Ca 0.00 0.54 -0.30 0.00 0.70 0.00 0.00 55.95 56.89 2dmi s SER 2 Cb 0.00 0.50 0.13 0.00 -1.71 0.00 0.00 66.02 64.94 2dmi s SER 2 CO 0.00 -0.20 1.01 -0.94 1.20 0.00 0.00 173.24 174.30 2dmi s SER 3 N -0.41 -0.34 -0.22 5.45 1.04 -1.26 -5.15 113.70 112.81 2dmi s SER 3 Ca 0.02 0.30 -0.00 0.00 0.48 0.00 0.00 55.95 56.75 2dmi s SER 3 Cb -0.03 0.30 0.06 0.00 0.10 0.00 0.00 66.02 66.45 2dmi s SER 3 CO -0.04 -0.37 -0.04 -0.83 0.98 0.00 0.00 173.24 172.94 2dmi s GLY 4 N -1.40 1.16 0.08 7.32 0.00 -1.26 -5.11 107.32 108.11 2dmi s GLY 4 Ca 0.00 -1.20 -0.22 0.00 0.00 0.00 0.00 44.72 43.30 2dmi s GLY 4 CO -0.01 1.03 0.53 -1.35 0.00 0.00 0.00 173.10 173.30 2dmi s SER 5 N 1.50 -0.45 0.31 1.64 1.04 -1.26 -5.19 113.70 111.30 2dmi s SER 5 Ca -0.05 0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.50 2dmi s SER 5 Cb -0.18 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 2dmi s SER 5 CO -0.07 -0.79 0.13 -0.55 0.98 0.00 0.00 173.24 172.94 2dmi s SER 6 N -2.23 1.77 -0.03 7.02 0.15 -1.26 -5.18 113.70 113.94 2dmi s SER 6 Ca -0.03 -1.51 -0.24 0.00 0.70 0.00 0.00 55.95 54.87 2dmi s SER 6 Cb -0.00 0.29 0.05 0.00 -1.71 0.00 0.00 66.02 64.65 2dmi s SER 6 CO -0.05 -0.82 0.52 -0.83 1.20 0.00 0.00 173.24 173.25 2dmi s GLY 7 N -3.41 -0.39 -0.03 9.45 0.00 -1.26 -5.17 107.32 106.51 2dmi s GLY 7 Ca 0.34 0.87 0.03 0.00 0.00 0.00 0.00 44.72 45.96 2dmi s GLY 7 CO 0.16 0.58 -0.12 0.54 0.00 0.00 0.00 173.10 174.26 2dmi s LYS 8 N -1.31 1.21 0.49 2.90 3.01 -1.26 -5.12 119.74 119.65 2dmi s LYS 8 Ca -0.12 -0.41 -0.23 0.00 -1.01 0.00 0.00 55.97 54.20 2dmi s LYS 8 Cb -0.02 -1.10 -0.07 0.00 -1.01 0.00 0.00 37.83 35.62 2dmi s LYS 8 CO 0.07 0.17 1.23 1.28 0.51 0.00 0.00 175.35 178.62 2dmi n LEU 9 N 3.18 4.36 -4.76 3.17 7.99 -1.26 -4.97 117.00 124.72 2dmi n LEU 9 Ca -0.18 1.02 -0.38 0.00 -0.01 0.00 0.00 56.01 56.46 2dmi n LEU 9 Cb 0.54 -1.50 -0.06 0.00 -0.11 0.00 0.00 43.42 42.29 2dmi n LEU 9 CO 0.25 -0.87 0.14 -0.31 -1.51 0.00 0.00 177.39 175.09 2dmi s TYR 10 N -1.28 3.58 -0.47 -1.77 1.51 -1.26 -5.05 117.35 112.62 2dmi s TYR 10 Ca 0.67 0.92 -0.20 0.00 -1.01 0.00 0.00 57.07 57.44 2dmi s TYR 10 Cb -0.47 -2.46 0.04 0.00 -0.11 0.00 0.00 41.96 38.96 2dmi s TYR 10 CO 0.53 0.32 0.66 0.20 -1.11 0.00 0.00 175.55 176.16 2dmi s GLY 11 N 0.06 1.71 -0.81 0.71 0.00 -1.26 -5.00 107.32 102.72 2dmi s GLY 11 Ca 0.25 -1.40 -0.16 0.00 0.00 0.00 0.00 44.72 43.41 2dmi s GLY 11 CO 0.11 1.55 0.85 -0.56 0.00 0.00 0.00 173.10 175.05 2dmi s SER 12 N 2.30 6.62 0.26 1.64 0.01 -1.26 -5.03 113.70 118.23 2dmi s SER 12 Ca 0.20 -2.29 -0.30 0.00 1.31 0.00 0.00 55.95 54.88 2dmi s SER 12 Cb -0.16 -2.28 -0.14 0.00 0.21 0.00 0.00 66.02 63.66 2dmi s SER 12 CO 0.16 -0.81 1.20 -0.38 0.41 0.00 0.00 173.24 173.83 2dmi n ILE 13 N 4.70 1.47 -4.43 1.44 -0.00 -1.26 -4.98 119.36 116.30 2dmi n ILE 13 Ca 0.12 -0.37 -0.33 0.00 -0.00 0.00 0.00 62.75 62.17 2dmi n ILE 13 Cb 0.47 -1.19 -0.10 0.00 -0.00 0.00 0.00 39.64 38.82 2dmi n ILE 13 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.55 176.67 2dmi s PHE 14 N -0.60 3.02 -0.05 1.39 5.36 -1.26 -5.11 117.98 120.72 2dmi s PHE 14 Ca 0.64 0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.67 2dmi s PHE 14 Cb -0.70 -1.69 0.03 0.00 -0.34 0.00 0.00 43.02 40.31 2dmi s PHE 14 CO 0.56 0.41 -0.01 0.99 -1.46 0.00 0.00 175.22 175.71 2dmi s THR 15 N -0.95 0.33 -0.30 0.12 2.01 -1.26 -5.11 115.64 110.48 2dmi s THR 15 Ca 0.16 0.05 -0.07 0.00 0.31 0.00 0.00 61.69 62.13 2dmi s THR 15 Cb -0.11 -0.43 0.18 0.00 0.01 0.00 0.00 72.50 72.15 2dmi s THR 15 CO 0.06 0.20 0.83 -0.83 -0.69 0.00 0.00 174.62 174.19 2dmi s GLY 16 N 1.30 -0.69 0.38 4.40 0.00 -1.26 -5.17 107.32 106.28 2dmi s GLY 16 Ca -0.06 2.28 0.05 0.00 0.00 0.00 0.00 44.72 46.99 2dmi s GLY 16 CO -0.02 3.61 0.04 0.00 0.00 0.00 0.00 173.10 176.73 2dmi s ALA 17 N 2.91 2.88 -0.30 3.20 0.00 -1.26 -5.15 121.76 124.03 2dmi s ALA 17 Ca 0.10 -1.89 -0.13 0.00 0.00 0.00 0.00 51.96 50.04 2dmi s ALA 17 Cb -0.12 0.44 0.16 0.00 0.00 0.00 0.00 23.12 23.60 2dmi s ALA 17 CO -0.16 -0.22 0.90 0.45 0.00 0.00 0.00 175.76 176.73 2dmi s SER 18 N -3.62 -0.74 0.10 0.00 0.15 -1.26 -5.04 113.70 103.30 2dmi s SER 18 Ca 0.32 0.87 -0.30 0.00 0.70 0.00 0.00 55.95 57.53 2dmi s SER 18 Cb 0.08 1.78 -0.12 0.00 -1.71 0.00 0.00 66.02 66.05 2dmi s SER 18 CO 0.15 -0.14 1.61 0.11 1.20 0.00 0.00 173.24 176.17 2dmi h LYS 19 N 7.70 -0.64 -6.29 5.44 6.56 -1.79 -3.43 116.57 124.12 2dmi h LYS 19 Ca -0.16 0.04 -0.59 0.00 -1.06 0.00 0.00 60.65 58.88 2dmi h LYS 19 Cb 1.12 0.15 -0.10 0.00 -0.57 0.00 0.00 32.23 32.83 2dmi h LYS 19 CO 0.08 -0.43 -0.63 -0.06 -2.06 0.00 0.00 179.45 176.35 2dmi s PHE 20 N -6.00 2.91 -0.03 -1.35 0.40 -0.82 -5.05 117.98 108.03 2dmi s PHE 20 Ca -0.16 -0.12 -0.01 0.00 -0.60 0.00 0.00 56.93 56.04 2dmi s PHE 20 Cb 0.07 -1.39 0.03 0.00 0.51 0.00 0.00 43.02 42.23 2dmi s PHE 20 CO 0.64 0.52 0.07 1.03 0.70 0.00 0.00 175.22 178.18 2dmi s ARG 21 N -3.05 0.02 -1.30 0.44 0.52 -1.26 -2.42 118.95 111.89 2dmi s ARG 21 Ca 0.29 0.21 -0.13 0.00 -0.52 0.00 0.00 55.73 55.57 2dmi s ARG 21 Cb -0.09 -0.16 0.12 0.00 0.52 0.00 0.00 34.95 35.34 2dmi s ARG 21 CO 0.20 -0.13 1.79 0.00 0.02 0.00 0.00 175.30 177.18 2dmi n LYS 23 N 5.76 -0.20 -0.20 0.00 3.00 -1.26 -0.07 118.16 125.19 2dmi n LYS 23 Ca 0.43 0.83 -0.05 0.00 -0.00 0.00 0.00 58.31 59.52 2dmi n LYS 23 Cb 0.41 -1.23 -0.05 0.00 0.00 0.00 0.00 35.03 34.16 2dmi n LYS 23 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2dmi n ASP 24 N -4.24 -0.50 -3.09 3.14 9.92 -1.26 -4.49 116.55 116.03 2dmi n ASP 24 Ca 0.01 0.87 -0.09 0.00 -0.53 0.00 0.00 54.79 55.05 2dmi n ASP 24 Cb 0.12 -0.13 0.01 0.00 -0.64 0.00 0.00 41.12 40.48 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 -2.24 7.40 -4.50 0.00 7.64 -1.26 -4.64 113.62 116.02 2dmi n SER 26 Ca 0.02 -3.78 -0.24 0.00 1.01 0.00 0.00 58.87 55.88 2dmi n SER 26 Cb 0.23 -0.96 -0.10 0.00 -1.01 0.00 0.00 64.21 62.38 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 -3.79 2.81 0.10 -0.43 0.00 -1.26 -5.04 121.76 114.15 2dmi s ALA 27 Ca 0.64 -1.77 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 2dmi s ALA 27 Cb 0.51 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.23 2dmi s ALA 27 CO -0.00 0.31 0.26 0.00 0.00 0.00 0.00 175.76 176.33 2dmi s ALA 28 N -2.29 -0.45 0.17 0.00 0.00 -1.26 -0.56 121.76 117.37 2dmi s ALA 28 Ca 0.28 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 2dmi s ALA 28 Cb -0.06 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 2dmi s ALA 28 CO 0.15 -0.55 0.07 0.71 0.00 0.00 0.00 175.76 176.15 2dmi s TYR 29 N -3.81 1.04 -0.04 0.00 2.02 -1.02 -4.97 117.35 110.58 2dmi s TYR 29 Ca 0.04 -1.25 -0.10 0.00 -0.37 0.00 0.00 57.07 55.40 2dmi s TYR 29 Cb 0.04 -0.56 -0.30 0.00 -0.40 0.00 0.00 41.96 40.73 2dmi s TYR 29 CO -0.11 -0.50 0.70 0.38 -1.57 0.00 0.00 175.55 174.45 2dmi h ASP 30 N 2.74 0.58 -3.36 2.29 2.03 -1.96 -2.19 116.42 116.56 2dmi h ASP 30 Ca -0.36 -0.86 -0.65 0.00 -0.73 0.00 0.00 57.03 54.43 2dmi h ASP 30 Cb 1.22 -0.19 -0.16 0.00 -0.83 0.00 0.00 39.33 39.37 2dmi h ASP 30 CO 0.58 1.73 -0.75 0.42 -1.03 0.00 0.00 179.24 180.19 2dmi s THR 31 N -2.59 3.17 0.03 1.15 -4.23 -1.26 -4.40 115.64 107.52 2dmi s THR 31 Ca -0.15 -1.49 -0.24 0.00 -1.18 0.00 0.00 61.69 58.63 2dmi s THR 31 Cb 0.06 -2.52 -0.18 0.00 1.34 0.00 0.00 72.50 71.20 2dmi s THR 31 CO 0.86 0.01 1.50 0.25 -0.54 0.00 0.00 174.62 176.70 2dmi h LEU 32 N 3.33 -0.00 -2.00 4.79 5.85 -1.99 -2.63 115.31 122.66 2dmi h LEU 32 Ca -0.48 -0.25 0.30 0.00 0.84 0.00 0.00 57.88 58.29 2dmi h LEU 32 Cb 1.18 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 2dmi h LEU 32 CO 0.52 0.25 0.74 -0.37 -0.34 0.00 0.00 178.44 179.23 2dmi h VAL 33 N -0.25 0.49 0.00 1.05 -1.51 -1.99 1.07 116.25 115.10 2dmi h VAL 33 Ca -0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.40 2dmi h VAL 33 Cb 0.25 0.49 -0.01 0.00 -2.13 0.00 0.00 31.29 29.88 2dmi h VAL 33 CO 0.00 0.00 -0.46 -0.33 -1.23 0.00 0.00 177.57 175.55 2dmi h GLU 34 N 0.00 0.00 0.00 5.19 5.08 -1.91 -3.25 114.58 119.69 2dmi h GLU 34 Ca 0.49 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.80 2dmi h GLU 34 Cb 1.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.20 2dmi h GLU 34 CO -0.01 0.27 -0.49 1.25 -1.00 0.00 0.00 179.01 179.04 2dmi h LEU 35 N 0.00 0.00 -0.60 1.33 5.85 0.13 -3.38 115.31 118.64 2dmi h LEU 35 Ca -0.02 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.59 2dmi h LEU 35 Cb 1.24 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.17 2dmi h LEU 35 CO 0.04 0.86 -0.54 0.00 -0.34 0.00 0.00 178.44 178.45 2dmi h THR 36 N -1.00 0.01 -1.54 1.05 1.03 -0.78 0.59 112.91 112.28 2dmi h THR 36 Ca -0.07 0.00 0.45 0.00 -0.01 0.00 0.00 66.41 66.78 2dmi h THR 36 Cb 0.58 0.01 -0.06 0.00 -1.07 0.00 0.00 68.15 67.62 2dmi h THR 36 CO -0.04 0.00 1.30 0.55 -0.01 0.00 0.00 175.52 177.32 2dmi n VAL 37 N -5.35 0.00 -0.02 0.00 3.14 -1.23 0.20 118.33 115.07 2dmi n VAL 37 Ca -0.01 1.34 -0.18 0.00 -2.96 0.00 0.00 64.34 62.53 2dmi n VAL 37 Cb 0.32 -2.30 -0.14 0.00 -1.06 0.00 0.00 33.84 30.66 2dmi n VAL 37 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 2dmi n HIS 38 N -3.57 1.05 0.03 1.45 -0.00 0.19 -3.37 115.22 111.00 2dmi n HIS 38 Ca 0.35 0.25 -0.13 0.00 -0.00 0.00 0.00 57.72 58.19 2dmi n HIS 38 Cb 1.76 -1.15 -0.09 0.00 -0.00 0.00 0.00 29.99 30.51 2dmi n HIS 38 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2dmi h MET 39 N 0.05 -0.11 -0.82 1.57 2.86 0.37 -1.94 114.93 116.92 2dmi h MET 39 Ca -0.42 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.22 2dmi h MET 39 Cb 2.02 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 33.67 2dmi h MET 39 CO 0.07 0.31 0.49 -0.91 1.06 0.00 0.00 176.91 177.93 2dmi h ASN 40 N -0.55 0.98 0.09 1.22 2.35 -0.47 1.09 115.58 120.29 2dmi h ASN 40 Ca -0.01 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2dmi h ASN 40 Cb 0.46 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2dmi h ASN 40 CO 0.02 0.75 -0.04 -0.33 -1.65 0.00 0.00 177.43 176.18 2dmi h GLU 41 N 1.12 -0.12 -0.15 0.81 4.39 -1.56 -3.34 114.58 115.73 2dmi h GLU 41 Ca 0.29 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 2dmi h GLU 41 Cb -0.04 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2dmi h GLU 41 CO -0.05 -0.08 0.06 1.79 -1.16 0.00 0.00 179.01 179.56 2dmi h THR 42 N -0.15 1.17 0.00 1.13 1.35 -1.37 -3.47 112.91 111.56 2dmi h THR 42 Ca -0.01 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2dmi h THR 42 Cb 0.10 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 2dmi h THR 42 CO 0.02 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 2dmi n GLY 43 N -0.65 1.11 2.37 5.82 0.00 0.36 -5.08 105.19 109.12 2dmi n GLY 43 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 2dmi n GLY 43 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dmi n HIS 44 N 0.00 -2.35 -3.81 1.61 8.25 -0.40 -4.76 115.22 113.76 2dmi n HIS 44 Ca 0.00 -0.12 -0.09 0.00 -0.26 0.00 0.00 57.72 57.25 2dmi n HIS 44 Cb 0.00 -1.04 0.02 0.00 1.12 0.00 0.00 29.99 30.09 2dmi n HIS 44 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2dmi s TYR 45 N -1.74 0.11 0.96 4.41 5.04 -1.26 -4.07 117.35 120.79 2dmi s TYR 45 Ca 0.29 -0.77 -0.14 0.00 -2.44 0.00 0.00 57.07 54.01 2dmi s TYR 45 Cb -0.05 0.83 -0.03 0.00 0.35 0.00 0.00 41.96 43.06 2dmi s TYR 45 CO 0.25 -1.56 -0.02 -2.13 -1.34 0.00 0.00 175.55 170.75 2dmi n ARG 46 N -0.53 -0.16 -0.90 4.97 3.00 -1.26 -4.47 116.66 117.31 2dmi n ARG 46 Ca -0.08 -0.02 -0.16 0.00 -0.00 0.00 0.00 57.85 57.59 2dmi n ARG 46 Cb 0.60 -1.54 0.15 0.00 0.00 0.00 0.00 32.46 31.67 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 0.46 3.67 -4.29 6.15 5.75 -1.25 -4.76 116.55 122.28 2dmi n ASP 47 Ca 0.04 -3.16 -0.28 0.00 -0.01 0.00 0.00 54.79 51.37 2dmi n ASP 47 Cb 0.54 -0.74 0.27 0.00 -1.03 0.00 0.00 41.12 40.16 2dmi n ASP 47 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2dmi s ASP 48 N -0.72 0.28 0.13 -1.12 2.15 -1.26 -4.91 116.67 111.23 2dmi s ASP 48 Ca 0.43 1.41 -0.31 0.00 0.43 0.00 0.00 52.55 54.51 2dmi s ASP 48 Cb 0.36 -2.17 -0.07 0.00 -0.30 0.00 0.00 42.92 40.74 2dmi s ASP 48 CO 0.09 -4.62 1.57 -1.13 -0.17 0.00 0.00 175.17 170.91 2dmi h ASN 49 N -2.91 -1.54 -1.41 -0.34 -0.73 -2.05 -3.35 115.58 103.25 2dmi h ASN 49 Ca -0.61 0.20 -0.38 0.00 1.87 0.00 0.00 56.30 57.38 2dmi h ASN 49 Cb 1.34 0.63 0.01 0.00 0.27 0.00 0.00 38.32 40.57 2dmi h ASN 49 CO 0.47 -0.43 1.35 -1.00 -0.37 0.00 0.00 177.43 177.45 2dmi s HIS 50 N -5.79 1.10 0.00 0.67 0.09 -1.26 -4.84 115.29 105.25 2dmi s HIS 50 Ca -0.15 1.63 0.00 0.00 -0.00 0.00 0.00 55.06 56.53 2dmi s HIS 50 Cb 0.09 -3.57 0.00 0.00 -0.00 0.00 0.00 32.58 29.10 2dmi s HIS 50 CO 0.63 -2.36 0.23 -1.91 -0.00 0.00 0.00 174.74 171.34 2dmi n GLU 51 N 8.98 0.00 0.00 1.40 2.13 -1.26 -4.79 120.64 127.10 2dmi n GLU 51 Ca 0.38 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.42 2dmi n GLU 51 Cb 0.53 -0.88 0.00 0.00 0.27 0.00 0.00 31.44 31.36 2dmi n GLU 51 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2dmi n THR 52 N -1.15 0.00 -0.05 6.31 5.66 -1.26 -4.74 114.28 119.05 2dmi n THR 52 Ca 0.00 -0.30 0.25 0.00 -3.05 0.00 0.00 64.05 60.95 2dmi n THR 52 Cb 0.00 1.02 0.66 0.00 -1.55 0.00 0.00 70.33 70.46 2dmi n THR 52 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 2dmi h ASP 53 N 0.00 0.00 -0.88 1.09 2.03 -1.95 -2.32 116.42 114.39 2dmi h ASP 53 Ca 0.00 0.00 0.12 0.00 -0.73 0.00 0.00 57.03 56.42 2dmi h ASP 53 Cb 0.01 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 38.38 2dmi h ASP 53 CO 0.00 0.00 -0.39 -3.20 -1.03 0.00 0.00 179.24 174.62 2dmi n ASN 54 N -3.62 -0.67 -4.17 4.15 2.85 -1.26 -3.73 115.26 108.82 2dmi n ASN 54 Ca 0.14 1.54 -0.35 0.00 -0.11 0.00 0.00 54.58 55.81 2dmi n ASN 54 Cb 0.97 -0.31 -0.14 0.00 1.24 0.00 0.00 39.78 41.54 2dmi n ASN 54 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2dmi s ASN 55 N -5.35 4.74 -0.45 1.20 2.47 -0.87 -5.04 114.94 111.64 2dmi s ASN 55 Ca -0.12 -1.22 0.02 0.00 0.42 0.00 0.00 52.86 51.97 2dmi s ASN 55 Cb 0.16 -1.69 0.15 0.00 -1.45 0.00 0.00 41.25 38.42 2dmi s ASN 55 CO 0.60 -0.23 0.28 0.21 -3.72 0.00 0.00 177.10 174.24 2dmi s ASN 56 N 1.25 3.27 0.43 -4.21 2.47 -1.24 -4.96 114.94 111.95 2dmi s ASN 56 Ca -0.05 -2.75 0.22 0.00 0.42 0.00 0.00 52.86 50.71 2dmi s ASN 56 Cb -0.19 -0.88 0.95 0.00 -1.45 0.00 0.00 41.25 39.68 2dmi s ASN 56 CO -0.02 -0.24 1.85 1.55 -3.72 0.00 0.00 177.10 176.53 2dmi h PRO 57 N 6.46 0.00 -4.62 0.43 0.13 -1.96 -3.39 132.00 129.05 2dmi h PRO 57 Ca 0.07 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.52 2dmi h PRO 57 Cb 0.91 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.67 2dmi h PRO 57 CO 0.45 0.26 -0.65 0.15 -0.23 0.00 0.00 178.00 177.98 2dmi s LYS 58 N -3.81 1.82 0.17 0.86 -0.14 -1.26 -5.10 119.74 112.28 2dmi s LYS 58 Ca -0.01 -1.77 0.00 0.00 -1.36 0.00 0.00 55.97 52.83 2dmi s LYS 58 Cb 0.12 -3.34 -0.04 0.00 -1.68 0.00 0.00 37.83 32.88 2dmi s LYS 58 CO 0.65 -0.95 0.34 -0.98 -0.76 0.00 0.00 175.35 173.65 2dmi s ARG 59 N 1.04 3.49 -1.10 1.68 1.70 -1.26 -4.99 118.95 119.50 2dmi s ARG 59 Ca 0.07 -0.44 -0.23 0.00 -0.47 0.00 0.00 55.73 54.66 2dmi s ARG 59 Cb -0.21 -2.90 -0.08 0.00 -0.57 0.00 0.00 34.95 31.19 2dmi s ARG 59 CO -0.06 0.46 1.95 1.67 -1.08 0.00 0.00 175.30 178.24 2dmi s TRP 60 N -1.80 1.87 -0.39 5.89 -2.14 -1.26 -4.68 118.94 116.43 2dmi s TRP 60 Ca 0.37 0.62 0.06 0.00 2.66 0.00 0.00 56.10 59.80 2dmi s TRP 60 Cb -0.11 -3.97 0.54 0.00 -3.10 0.00 0.00 33.47 26.83 2dmi s TRP 60 CO 0.29 -1.32 1.64 0.43 -2.66 0.00 0.00 176.95 175.33 2dmi n SER 61 N 14.60 3.71 -4.28 -2.66 7.64 -1.26 -4.98 113.62 126.40 2dmi n SER 61 Ca 0.44 -3.74 -0.22 0.00 1.01 0.00 0.00 58.87 56.35 2dmi n SER 61 Cb 0.47 -0.71 -0.12 0.00 -1.01 0.00 0.00 64.21 62.83 2dmi n SER 61 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2dmi s LYS 62 N -3.38 1.11 1.23 1.43 0.00 -1.26 -5.15 119.74 113.72 2dmi s LYS 62 Ca 0.51 -1.19 -0.21 0.00 0.00 0.00 0.00 55.97 55.09 2dmi s LYS 62 Cb 0.44 -1.27 0.31 0.00 0.00 0.00 0.00 37.83 37.31 2dmi s LYS 62 CO 0.03 0.28 1.09 -0.35 0.00 0.00 0.00 175.35 176.40 2dmi n PRO 63 N 0.91 -3.17 -3.85 1.78 -0.04 -1.26 -5.09 135.00 124.28 2dmi n PRO 63 Ca -0.18 -1.74 -0.12 0.00 -0.04 0.00 0.00 63.50 61.41 2dmi n PRO 63 Cb 0.55 -1.64 -0.13 0.00 -0.04 0.00 0.00 33.50 32.23 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 -5.48 0.07 0.36 0.54 3.52 -1.26 -5.13 118.95 111.58 2dmi s ARG 64 Ca 0.71 0.09 -0.24 0.00 -0.13 0.00 0.00 55.73 56.16 2dmi s ARG 64 Cb -0.07 0.03 -0.14 0.00 -1.56 0.00 0.00 34.95 33.21 2dmi s ARG 64 CO 0.54 -0.01 0.50 1.17 -0.81 0.00 0.00 175.30 176.70 2dmi n LYS 65 N 3.07 0.44 -4.36 5.12 4.81 -1.26 -4.99 118.16 120.99 2dmi n LYS 65 Ca -0.12 0.16 -0.20 0.00 -0.87 0.00 0.00 58.31 57.28 2dmi n LYS 65 Cb 0.59 -1.35 -0.10 0.00 0.02 0.00 0.00 35.03 34.19 2dmi n LYS 65 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2dmi s ARG 66 N -1.35 1.36 1.04 1.64 1.70 -1.26 -5.15 118.95 116.93 2dmi s ARG 66 Ca 0.62 -1.59 -0.15 0.00 -0.47 0.00 0.00 55.73 54.14 2dmi s ARG 66 Cb -0.68 -1.23 0.21 0.00 -0.57 0.00 0.00 34.95 32.68 2dmi s ARG 66 CO 0.59 0.21 1.15 -1.54 -1.08 0.00 0.00 175.30 174.63 2dmi s SER 67 N -3.26 2.34 -0.58 -2.89 1.04 -1.26 -5.03 113.70 104.06 2dmi s SER 67 Ca 0.23 0.76 0.06 0.00 0.48 0.00 0.00 55.95 57.48 2dmi s SER 67 Cb -0.02 -1.15 0.21 0.00 0.10 0.00 0.00 66.02 65.17 2dmi s SER 67 CO 0.08 -3.26 0.57 -0.11 0.98 0.00 0.00 173.24 171.50 2dmi n LEU 68 N -4.20 2.21 -4.04 2.42 -0.00 -1.26 -4.92 117.00 107.21 2dmi n LEU 68 Ca 0.10 -5.07 -0.31 0.00 -0.00 0.00 0.00 56.01 50.73 2dmi n LEU 68 Cb 0.59 -0.25 -0.05 0.00 -0.00 0.00 0.00 43.42 43.71 2dmi n LEU 68 CO 0.51 1.95 -0.32 0.18 -0.00 0.00 0.00 177.39 179.71 2dmi n LEU 69 N 1.57 -0.57 -4.51 -1.96 4.32 -1.26 -4.61 117.00 109.98 2dmi n LEU 69 Ca 0.25 -1.09 -0.41 0.00 -0.02 0.00 0.00 56.01 54.74 2dmi n LEU 69 Cb 0.43 -1.34 -0.09 0.00 -1.62 0.00 0.00 43.42 40.80 2dmi n LEU 69 CO 0.27 0.50 2.07 -1.84 -1.22 0.00 0.00 177.39 177.17 2dmi n GLU 70 N -4.18 0.63 -1.47 3.23 0.28 -1.26 -4.90 120.64 112.97 2dmi n GLU 70 Ca -0.22 0.05 -0.29 0.00 -0.16 0.00 0.00 57.16 56.54 2dmi n GLU 70 Cb 0.55 -2.50 0.14 0.00 1.43 0.00 0.00 31.44 31.07 2dmi n GLU 70 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 2dmi s MET 71 N 8.20 0.97 0.53 3.44 -1.94 -1.26 -5.08 119.30 124.15 2dmi s MET 71 Ca 1.15 0.31 0.06 0.00 -1.71 0.00 0.00 55.69 55.51 2dmi s MET 71 Cb -0.73 -1.82 0.03 0.00 2.01 0.00 0.00 34.83 34.33 2dmi s MET 71 CO 0.39 -2.32 0.43 -1.21 -0.01 0.00 0.00 175.02 172.30 2dmi s GLU 72 N -5.23 2.29 0.00 2.03 0.41 -1.26 -5.14 118.70 111.79 2dmi s GLU 72 Ca 0.64 -1.93 0.00 0.00 -0.41 0.00 0.00 54.97 53.28 2dmi s GLU 72 Cb -0.15 -2.17 0.00 0.00 -1.78 0.00 0.00 34.13 30.02 2dmi s GLU 72 CO 0.54 -0.57 0.00 0.41 -0.49 0.00 0.00 175.26 175.15 2dmi n GLY 73 N -1.76 1.05 1.70 -1.39 0.00 -1.26 -5.02 105.19 98.51 2dmi n GLY 73 Ca 0.01 0.32 -0.04 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.01 1.36 -0.95 1.61 2.85 -1.26 -4.36 118.16 117.40 2dmi n LYS 74 Ca 0.00 -0.37 -0.19 0.00 -1.05 0.00 0.00 58.31 56.70 2dmi n LYS 74 Cb 0.00 -1.38 0.13 0.00 -0.65 0.00 0.00 35.03 33.13 2dmi n LYS 74 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2dmi n GLU 75 N 1.88 1.97 -0.85 -1.58 1.02 -1.26 -4.55 120.64 117.28 2dmi n GLU 75 Ca 0.16 -2.30 -0.16 0.00 -0.02 0.00 0.00 57.16 54.84 2dmi n GLU 75 Cb 0.65 -1.90 0.04 0.00 -0.02 0.00 0.00 31.44 30.21 2dmi n GLU 75 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dmi n ASP 76 N -0.73 6.11 -2.55 1.62 9.92 -1.26 -4.29 116.55 125.36 2dmi n ASP 76 Ca 0.46 -3.01 -0.17 0.00 -0.53 0.00 0.00 54.79 51.53 2dmi n ASP 76 Cb 1.36 -1.02 0.02 0.00 -0.64 0.00 0.00 41.12 40.83 2dmi n ASP 76 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dmi n ALA 77 N 0.32 4.20 -0.07 2.24 0.00 -1.26 -4.68 120.51 121.26 2dmi n ALA 77 Ca 0.29 -3.68 -0.06 0.00 0.00 0.00 0.00 53.44 49.99 2dmi n ALA 77 Cb 0.62 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.32 0.46 -0.01 0.00 -0.06 -1.26 -4.70 117.38 111.48 2dmi n GLN 78 Ca 0.24 0.43 0.01 0.00 -2.00 0.00 0.00 57.00 55.68 2dmi n GLN 78 Cb 0.76 -1.58 0.02 0.00 -4.06 0.00 0.00 30.24 25.37 2dmi n GLN 78 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2dmi n LYS 79 N -4.49 2.66 -4.10 3.69 4.81 -1.26 -5.03 118.16 114.44 2dmi n LYS 79 Ca -0.09 -1.61 -0.29 0.00 -0.87 0.00 0.00 58.31 55.46 2dmi n LYS 79 Cb 0.33 -1.05 -0.07 0.00 0.02 0.00 0.00 35.03 34.26 2dmi n LYS 79 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2dmi s VAL 80 N -1.21 4.28 -0.66 3.15 1.01 -1.26 -5.03 120.40 120.68 2dmi s VAL 80 Ca 0.04 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 2dmi s VAL 80 Cb 0.04 -3.10 0.18 0.00 0.00 0.00 0.00 36.38 33.50 2dmi s VAL 80 CO 0.00 0.04 2.44 0.18 0.00 0.00 0.00 175.10 177.77 2dmi n LEU 81 N 0.24 6.98 -4.92 3.92 4.77 -1.25 -4.81 117.00 121.92 2dmi n LEU 81 Ca -0.09 -4.44 -0.27 0.00 -0.03 0.00 0.00 56.01 51.18 2dmi n LEU 81 Cb 0.53 -1.18 0.05 0.00 -2.33 0.00 0.00 43.42 40.50 2dmi n LEU 81 CO 0.42 1.77 0.61 -0.75 -1.33 0.00 0.00 177.39 178.11 2dmi s LYS 82 N -2.67 2.51 -0.17 3.23 2.20 -1.26 -2.93 119.74 120.65 2dmi s LYS 82 Ca 0.55 -0.07 -0.02 0.00 -0.36 0.00 0.00 55.97 56.07 2dmi s LYS 82 Cb 0.39 -2.18 -0.02 0.00 -1.51 0.00 0.00 37.83 34.51 2dmi s LYS 82 CO -0.29 -1.05 -0.07 0.00 -0.36 0.00 0.00 175.35 173.58 2dmi h MET 84 N 7.12 0.00 0.00 0.00 4.05 -1.98 0.14 114.93 124.26 2dmi h MET 84 Ca -0.32 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 2dmi h MET 84 Cb 1.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 2dmi h MET 84 CO 0.59 0.27 0.00 0.98 0.23 0.00 0.00 176.91 178.99 2dmi n TYR 85 N -4.03 0.00 -0.06 1.39 4.19 -1.26 -4.53 117.16 112.86 2dmi n TYR 85 Ca -0.02 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.17 2dmi n TYR 85 Cb 0.34 -0.39 -0.01 0.00 0.49 0.00 0.00 39.34 39.77 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 1.73 0.70 2.70 0.00 0.00 0.48 -5.02 105.19 105.78 2dmi n GLY 87 Ca -0.03 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 2dmi n GLY 87 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2dmi s HIS 88 N -0.96 0.96 0.06 1.61 -3.43 -1.26 -4.88 115.29 107.40 2dmi s HIS 88 Ca 0.00 -0.95 -0.31 0.00 -0.80 0.00 0.00 55.06 53.00 2dmi s HIS 88 Cb 0.00 -1.09 -0.09 0.00 -1.43 0.00 0.00 32.58 29.97 2dmi s HIS 88 CO 0.00 -0.67 1.74 -1.54 -2.00 0.00 0.00 174.74 172.27 2dmi s SER 89 N 1.88 6.55 0.21 7.38 1.04 -1.26 -3.69 113.70 125.80 2dmi s SER 89 Ca 0.02 2.55 0.02 0.00 0.48 0.00 0.00 55.95 59.02 2dmi s SER 89 Cb -0.17 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.42 2dmi s SER 89 CO -0.15 -0.94 0.18 0.49 0.98 0.00 0.00 173.24 173.80 2dmi n PHE 90 N 6.07 -1.43 0.00 5.02 3.72 -1.15 -4.89 117.46 124.80 2dmi n PHE 90 Ca 0.17 -0.87 0.00 0.00 -0.05 0.00 0.00 57.45 56.70 2dmi n PHE 90 Cb 0.40 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 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 -1.07 1.32 -3.80 -1.08 1.02 -1.26 -3.96 120.64 111.81 2dmi n GLU 91 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 2dmi n GLU 91 Cb 0.24 -0.70 -0.11 0.00 -0.02 0.00 0.00 31.44 30.85 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 -2.05 5.59 0.45 1.62 0.01 -1.26 -4.96 113.70 113.09 2dmi s SER 92 Ca 0.00 -0.03 0.22 0.00 1.31 0.00 0.00 55.95 57.44 2dmi s SER 92 Cb 0.00 -2.00 1.19 0.00 0.21 0.00 0.00 66.02 65.43 2dmi s SER 92 CO 0.00 0.04 1.84 0.25 0.41 0.00 0.00 173.24 175.79 2dmi h LEU 93 N 7.66 0.31 -0.43 2.44 5.85 -1.96 0.49 115.31 129.67 2dmi h LEU 93 Ca -0.37 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2dmi h LEU 93 Cb 1.18 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2dmi h LEU 93 CO 0.62 0.10 0.19 -0.61 -0.34 0.00 0.00 178.44 178.41 2dmi h GLN 94 N 0.30 0.62 -0.57 1.25 5.75 -1.97 0.47 115.11 120.96 2dmi h GLN 94 Ca 0.49 -0.10 0.08 0.00 -0.15 0.00 0.00 58.65 58.97 2dmi h GLN 94 Cb 1.40 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.81 2dmi h GLN 94 CO -0.16 0.55 0.38 -0.44 -2.65 0.00 0.00 178.83 176.52 2dmi h ASP 95 N 0.55 0.41 0.00 -0.69 3.32 -1.32 -0.36 116.42 118.33 2dmi h ASP 95 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2dmi h ASP 95 Cb 0.14 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2dmi h ASP 95 CO -0.02 0.26 -0.15 0.25 -1.72 0.00 0.00 179.24 177.86 2dmi h LEU 96 N 0.47 0.00 -1.76 1.55 7.12 -1.25 -2.51 115.31 118.92 2dmi h LEU 96 Ca 0.26 0.00 0.39 0.00 0.13 0.00 0.00 57.88 58.65 2dmi h LEU 96 Cb 0.40 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.48 2dmi h LEU 96 CO -0.07 0.32 1.10 -1.28 -0.13 0.00 0.00 178.44 178.38 2dmi h SER 97 N -0.49 0.00 0.00 1.25 0.87 -0.10 -1.27 113.55 113.81 2dmi h SER 97 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dmi h SER 97 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2dmi h SER 97 CO 0.00 0.00 -0.14 0.58 -0.53 0.00 0.00 176.83 176.74 2dmi h VAL 98 N 0.00 0.00 -0.85 2.23 2.07 -1.21 -3.36 116.25 115.13 2dmi h VAL 98 Ca 0.64 -0.51 0.15 0.00 0.82 0.00 0.00 66.70 67.79 2dmi h VAL 98 Cb 2.83 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 32.45 2dmi h VAL 98 CO -0.01 0.00 -0.28 1.57 0.02 0.00 0.00 177.57 178.88 2dmi n HIS 99 N -3.45 0.16 -0.27 1.57 -0.00 -0.71 0.34 115.22 112.86 2dmi n HIS 99 Ca -0.02 1.05 -0.04 0.00 -0.00 0.00 0.00 57.72 58.71 2dmi n HIS 99 Cb 0.08 -0.90 0.02 0.00 -0.00 0.00 0.00 29.99 29.18 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 -0.10 0.38 1.57 2.86 -1.46 0.28 114.93 118.47 2dmi h MET 100 Ca 0.35 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.98 2dmi h MET 100 Cb 0.57 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.25 2dmi h MET 100 CO -0.86 -0.07 -0.18 0.82 1.06 0.00 0.00 176.91 177.68 2dmi h ILE 101 N -0.10 0.00 -0.92 -1.22 5.03 -0.26 2.06 117.51 122.10 2dmi h ILE 101 Ca 0.27 -0.53 0.34 0.00 -0.12 0.00 0.00 64.86 64.82 2dmi h ILE 101 Cb 0.57 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 34.19 2dmi h ILE 101 CO -0.80 0.00 0.32 0.29 -0.68 0.00 0.00 178.15 177.29 2dmi n LYS 102 N -4.87 -0.06 0.00 2.37 5.02 0.31 0.12 118.16 121.06 2dmi n LYS 102 Ca -0.06 1.31 0.11 0.00 -2.02 0.00 0.00 58.31 57.64 2dmi n LYS 102 Cb 0.20 -2.25 -0.14 0.00 -0.02 0.00 0.00 35.03 32.82 2dmi n LYS 102 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2dmi n THR 103 N -5.18 0.05 -3.21 -0.18 -2.24 0.96 -4.99 114.28 99.50 2dmi n THR 103 Ca 0.30 -0.43 -0.19 0.00 -2.27 0.00 0.00 64.05 61.46 2dmi n THR 103 Cb 1.01 0.10 0.05 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 -2.19 -5.60 -0.04 -0.78 4.01 0.67 -4.93 118.16 109.31 2dmi n LYS 104 Ca -0.03 0.70 -0.12 0.00 -0.51 0.00 0.00 58.31 58.35 2dmi n LYS 104 Cb 0.54 -5.25 -0.06 0.00 -0.51 0.00 0.00 35.03 29.75 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 -1.82 0.26 -0.52 2.13 3.86 -1.08 -3.15 115.15 114.82 2dmi h HIS 105 Ca -0.45 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 2dmi h HIS 105 Cb 1.30 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.68 2dmi h HIS 105 CO 0.41 0.45 0.34 0.10 0.86 0.00 0.00 177.93 180.09 2dmi h TYR 106 N -0.01 0.66 -0.87 2.45 -0.00 -1.92 -2.64 116.97 114.64 2dmi h TYR 106 Ca 0.04 0.01 0.32 0.00 -0.00 0.00 0.00 58.73 59.10 2dmi h TYR 106 Cb 0.34 -0.22 -0.11 0.00 -0.00 0.00 0.00 36.73 36.74 2dmi h TYR 106 CO 0.03 0.42 0.53 0.94 -0.00 0.00 0.00 178.16 180.08 2dmi n GLN 107 N -4.72 -0.03 -0.59 0.10 7.27 -1.19 0.15 117.38 118.38 2dmi n GLN 107 Ca 0.03 0.90 -0.03 0.00 0.07 0.00 0.00 57.00 57.96 2dmi n GLN 107 Cb 0.02 -1.71 -0.00 0.00 2.41 0.00 0.00 30.24 30.96 2dmi n GLN 107 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2dmi n LYS 108 N -4.24 1.18 -3.78 3.69 5.02 -1.00 -4.76 118.16 114.28 2dmi n LYS 108 Ca 0.27 -0.31 -0.13 0.00 -2.02 0.00 0.00 58.31 56.13 2dmi n LYS 108 Cb 1.02 -1.15 -0.14 0.00 -0.02 0.00 0.00 35.03 34.74 2dmi n LYS 108 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2dmi s VAL 109 N -0.32 -0.03 -0.20 -0.18 1.01 0.41 -5.11 120.40 115.97 2dmi s VAL 109 Ca 0.08 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 2dmi s VAL 109 Cb 0.06 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.19 2dmi s VAL 109 CO -0.00 0.05 1.98 -0.55 0.00 0.00 0.00 175.10 176.58 2dmi s SER 110 N 0.81 5.86 0.00 3.32 0.15 -1.26 -4.84 113.70 117.74 2dmi s SER 110 Ca -0.06 1.84 0.00 0.00 0.70 0.00 0.00 55.95 58.43 2dmi s SER 110 Cb -0.08 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2dmi s SER 110 CO -0.04 -1.64 0.00 0.61 1.20 0.00 0.00 173.24 173.37 2dmi n GLY 111 N 5.31 2.65 0.90 9.45 0.00 -1.26 -5.16 105.19 117.07 2dmi n GLY 111 Ca 0.25 -1.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.15 -1.57 -4.00 1.61 -0.04 -1.26 -5.08 135.00 123.50 2dmi n PRO 112 Ca 0.00 -0.45 -0.12 0.00 -0.04 0.00 0.00 63.50 62.90 2dmi n PRO 112 Cb 0.00 -0.42 -0.03 0.00 -0.04 0.00 0.00 33.50 33.01 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 -2.26 0.42 0.17 3.54 0.15 -1.26 -5.07 113.70 109.39 2dmi s SER 113 Ca 0.18 -1.24 -0.23 0.00 0.70 0.00 0.00 55.95 55.36 2dmi s SER 113 Cb -0.02 0.68 0.08 0.00 -1.71 0.00 0.00 66.02 65.05 2dmi s SER 113 CO 0.14 -1.33 1.04 -0.94 1.20 0.00 0.00 173.24 173.35 2dmi s SER 114 N -3.13 -0.02 0.00 5.45 1.04 -1.26 -5.29 113.70 110.49 2dmi s SER 114 Ca 0.25 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2dmi s SER 114 Cb -0.01 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2dmi s SER 114 CO 0.15 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.03