#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 0.27 -0.28 1.61 0.01 -1.26 -5.16 113.70 108.89 2dmi s SER 2 Ca 0.00 -0.61 -0.26 0.00 1.31 0.00 0.00 55.95 56.40 2dmi s SER 2 Cb 0.00 0.16 0.16 0.00 0.21 0.00 0.00 66.02 66.55 2dmi s SER 2 CO 0.00 -0.42 1.24 -0.94 0.41 0.00 0.00 173.24 173.52 2dmi s SER 3 N -1.95 -0.24 0.00 2.44 1.04 -1.26 -5.18 113.70 108.55 2dmi s SER 3 Ca -0.08 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2dmi s SER 3 Cb -0.04 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2dmi s SER 3 CO -0.04 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2dmi n GLY 4 N 1.75 2.22 3.43 7.32 0.00 -1.26 -5.19 105.19 113.46 2dmi n GLY 4 Ca -0.11 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 2.00 -0.52 0.01 1.61 0.15 -1.26 -5.18 113.70 110.51 2dmi s SER 5 Ca 0.00 0.32 -0.18 0.00 0.70 0.00 0.00 55.95 56.79 2dmi s SER 5 Cb 0.00 0.51 0.03 0.00 -1.71 0.00 0.00 66.02 64.86 2dmi s SER 5 CO 0.00 -0.71 0.38 -0.44 1.20 0.00 0.00 173.24 173.68 2dmi s SER 6 N -1.80 -0.26 0.06 5.45 0.01 -1.26 -5.18 113.70 110.71 2dmi s SER 6 Ca -0.07 0.10 -0.27 0.00 1.31 0.00 0.00 55.95 57.02 2dmi s SER 6 Cb -0.01 0.38 0.09 0.00 0.21 0.00 0.00 66.02 66.69 2dmi s SER 6 CO 0.01 -0.55 0.88 -0.83 0.41 0.00 0.00 173.24 173.15 2dmi s GLY 7 N -1.61 -0.41 -0.06 3.44 0.00 -1.26 -5.17 107.32 102.26 2dmi s GLY 7 Ca -0.10 0.71 0.05 0.00 0.00 0.00 0.00 44.72 45.38 2dmi s GLY 7 CO 0.02 0.22 -0.21 0.54 0.00 0.00 0.00 173.10 173.67 2dmi s LYS 8 N -3.24 2.24 0.95 2.90 -0.14 -1.26 -5.13 119.74 116.06 2dmi s LYS 8 Ca 0.07 -0.76 -0.11 0.00 -1.36 0.00 0.00 55.97 53.80 2dmi s LYS 8 Cb -0.01 -1.89 0.16 0.00 -1.68 0.00 0.00 37.83 34.41 2dmi s LYS 8 CO -0.06 0.29 1.09 -0.48 -0.76 0.00 0.00 175.35 175.44 2dmi s LEU 9 N -0.00 2.21 0.49 3.17 2.34 -1.26 -5.05 118.68 120.57 2dmi s LEU 9 Ca -0.05 1.77 0.08 0.00 0.06 0.00 0.00 54.13 55.98 2dmi s LEU 9 Cb -0.13 -4.09 0.02 0.00 -0.56 0.00 0.00 46.19 41.44 2dmi s LEU 9 CO 0.04 -3.10 0.51 -0.31 -1.06 0.00 0.00 176.35 172.42 2dmi s TYR 10 N -2.72 2.11 -0.26 3.48 1.51 -1.26 -5.12 117.35 115.09 2dmi s TYR 10 Ca 0.65 -0.63 -0.03 0.00 -1.01 0.00 0.00 57.07 56.06 2dmi s TYR 10 Cb -0.21 -2.13 0.11 0.00 -0.11 0.00 0.00 41.96 39.62 2dmi s TYR 10 CO 0.59 -0.50 0.23 0.20 -1.11 0.00 0.00 175.55 174.96 2dmi s GLY 11 N -4.32 0.07 -1.06 0.71 0.00 -1.26 -5.07 107.32 96.39 2dmi s GLY 11 Ca 0.48 -0.32 -0.25 0.00 0.00 0.00 0.00 44.72 44.63 2dmi s GLY 11 CO 0.29 2.33 2.05 -0.56 0.00 0.00 0.00 173.10 177.21 2dmi s SER 12 N 2.28 4.38 0.49 1.64 0.01 -1.26 -4.91 113.70 116.32 2dmi s SER 12 Ca 0.08 -1.08 -0.22 0.00 1.31 0.00 0.00 55.95 56.04 2dmi s SER 12 Cb -0.15 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.41 2dmi s SER 12 CO -0.27 -3.69 1.02 2.30 0.41 0.00 0.00 173.24 173.01 2dmi n ILE 13 N 8.34 2.88 -4.51 1.44 -6.64 -1.26 -5.02 119.36 114.59 2dmi n ILE 13 Ca 0.43 -0.50 -0.24 0.00 -1.77 0.00 0.00 62.75 60.67 2dmi n ILE 13 Cb 0.46 -1.20 -0.10 0.00 -1.44 0.00 0.00 39.64 37.37 2dmi n ILE 13 CO 0.00 0.00 0.00 -0.36 -1.77 0.00 0.00 176.55 174.42 2dmi s PHE 14 N -1.36 1.96 -0.23 4.28 0.08 -1.26 -5.15 117.98 116.30 2dmi s PHE 14 Ca 0.67 -1.01 -0.03 0.00 0.12 0.00 0.00 56.93 56.68 2dmi s PHE 14 Cb -0.50 -1.33 0.12 0.00 -0.57 0.00 0.00 43.02 40.75 2dmi s PHE 14 CO 0.54 -0.01 0.35 0.99 -0.10 0.00 0.00 175.22 176.99 2dmi s THR 15 N -3.18 -0.55 0.81 0.64 2.01 -1.26 -5.15 115.64 108.96 2dmi s THR 15 Ca 0.30 -0.06 -0.10 0.00 0.31 0.00 0.00 61.69 62.14 2dmi s THR 15 Cb 0.07 -0.77 0.08 0.00 0.01 0.00 0.00 72.50 71.89 2dmi s THR 15 CO 0.14 -0.12 1.11 -0.83 -0.69 0.00 0.00 174.62 174.23 2dmi s GLY 16 N 2.51 1.68 0.06 4.40 0.00 -1.26 -5.06 107.32 109.64 2dmi s GLY 16 Ca 0.11 0.35 0.05 0.00 0.00 0.00 0.00 44.72 45.23 2dmi s GLY 16 CO -0.15 0.72 -0.14 0.00 0.00 0.00 0.00 173.10 173.53 2dmi s ALA 17 N -2.83 1.20 -0.24 3.20 0.00 -1.26 -5.14 121.76 116.68 2dmi s ALA 17 Ca 0.63 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 51.54 2dmi s ALA 17 Cb -0.19 -0.14 0.09 0.00 0.00 0.00 0.00 23.12 22.88 2dmi s ALA 17 CO 0.57 0.20 0.57 0.45 0.00 0.00 0.00 175.76 177.55 2dmi s SER 18 N -1.48 -0.78 0.19 0.00 0.15 -1.26 -5.05 113.70 105.47 2dmi s SER 18 Ca -0.00 1.30 -0.23 0.00 0.70 0.00 0.00 55.95 57.72 2dmi s SER 18 Cb -0.09 1.43 0.11 0.00 -1.71 0.00 0.00 66.02 65.76 2dmi s SER 18 CO 0.02 -0.22 1.56 0.11 1.20 0.00 0.00 173.24 175.91 2dmi h LYS 19 N 7.43 -0.11 -6.15 5.44 6.56 -1.82 -3.41 116.57 124.51 2dmi h LYS 19 Ca -0.27 0.01 -0.51 0.00 -1.06 0.00 0.00 60.65 58.81 2dmi h LYS 19 Cb 1.17 0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 32.80 2dmi h LYS 19 CO 0.17 -0.07 -0.47 -0.06 -2.06 0.00 0.00 179.45 176.96 2dmi s PHE 20 N -5.86 2.80 -0.01 -1.35 0.40 -1.07 -5.05 117.98 107.83 2dmi s PHE 20 Ca -0.14 -0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 55.67 2dmi s PHE 20 Cb 0.16 -1.80 0.03 0.00 0.51 0.00 0.00 43.02 41.92 2dmi s PHE 20 CO 0.68 0.20 0.34 1.03 0.70 0.00 0.00 175.22 178.17 2dmi s ARG 21 N -3.96 0.71 -0.07 0.44 0.52 -1.26 -3.20 118.95 112.13 2dmi s ARG 21 Ca 0.41 -0.19 -0.11 0.00 -0.52 0.00 0.00 55.73 55.31 2dmi s ARG 21 Cb -0.04 0.32 -0.05 0.00 0.52 0.00 0.00 34.95 35.70 2dmi s ARG 21 CO 0.25 -0.20 0.28 0.00 0.02 0.00 0.00 175.30 175.65 2dmi h LYS 23 N 5.09 -0.09 -0.27 0.00 3.11 -1.74 -3.39 116.57 119.28 2dmi h LYS 23 Ca -0.51 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.36 2dmi h LYS 23 Cb 1.22 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 32.43 2dmi h LYS 23 CO 0.62 -0.06 -0.16 -0.44 -2.81 0.00 0.00 179.45 176.60 2dmi h ASP 24 N -0.51 -0.59 -5.83 4.20 5.19 -1.88 -3.43 116.42 113.57 2dmi h ASP 24 Ca -0.01 0.09 -0.42 0.00 -0.62 0.00 0.00 57.03 56.07 2dmi h ASP 24 Cb 0.07 0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.84 2dmi h ASP 24 CO 0.02 -0.07 -0.11 0.00 -3.12 0.00 0.00 179.24 175.95 2dmi n SER 26 N -2.24 7.21 -4.32 0.00 7.64 -1.26 -4.40 113.62 116.24 2dmi n SER 26 Ca 0.08 -3.79 -0.40 0.00 1.01 0.00 0.00 58.87 55.77 2dmi n SER 26 Cb 0.49 -0.87 -0.10 0.00 -1.01 0.00 0.00 64.21 62.71 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 -3.80 3.28 0.41 -0.43 0.00 -1.26 -4.94 121.76 115.01 2dmi s ALA 27 Ca 0.62 -1.94 0.04 0.00 0.00 0.00 0.00 51.96 50.68 2dmi s ALA 27 Cb 0.49 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.99 2dmi s ALA 27 CO -0.03 -1.52 0.59 0.00 0.00 0.00 0.00 175.76 174.79 2dmi s ALA 28 N 1.49 4.12 0.05 0.00 0.00 -1.26 -3.02 121.76 123.14 2dmi s ALA 28 Ca 0.02 -1.38 -0.02 0.00 0.00 0.00 0.00 51.96 50.58 2dmi s ALA 28 Cb -0.21 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 2dmi s ALA 28 CO 0.04 -0.28 0.01 0.71 0.00 0.00 0.00 175.76 176.24 2dmi s TYR 29 N -2.40 0.43 -0.03 0.00 2.02 -1.19 -4.98 117.35 111.21 2dmi s TYR 29 Ca 0.50 -0.93 -0.20 0.00 -0.37 0.00 0.00 57.07 56.07 2dmi s TYR 29 Cb -0.10 -0.32 -0.33 0.00 -0.40 0.00 0.00 41.96 40.82 2dmi s TYR 29 CO 0.34 -0.39 0.91 -0.44 -1.57 0.00 0.00 175.55 174.40 2dmi h ASP 30 N 3.22 0.58 -3.73 2.29 3.32 -1.96 -2.85 116.42 117.30 2dmi h ASP 30 Ca -0.34 -0.94 -0.68 0.00 0.02 0.00 0.00 57.03 55.09 2dmi h ASP 30 Cb 1.16 -0.19 -0.19 0.00 0.22 0.00 0.00 39.33 40.33 2dmi h ASP 30 CO 0.62 1.50 -0.74 0.42 -1.72 0.00 0.00 179.24 179.32 2dmi s THR 31 N -2.48 3.31 0.06 0.35 -4.23 -1.26 -4.59 115.64 106.80 2dmi s THR 31 Ca -0.12 -0.99 -0.27 0.00 -1.18 0.00 0.00 61.69 59.12 2dmi s THR 31 Cb 0.02 -2.44 -0.17 0.00 1.34 0.00 0.00 72.50 71.25 2dmi s THR 31 CO 0.86 0.33 1.60 0.25 -0.54 0.00 0.00 174.62 177.12 2dmi h LEU 32 N 4.39 -0.34 -1.04 4.79 5.85 -2.00 -2.57 115.31 124.39 2dmi h LEU 32 Ca -0.48 -0.04 0.41 0.00 0.84 0.00 0.00 57.88 58.61 2dmi h LEU 32 Cb 1.16 0.09 -0.17 0.00 0.37 0.00 0.00 40.66 42.11 2dmi h LEU 32 CO 0.51 -0.17 0.58 -0.37 -0.34 0.00 0.00 178.44 178.65 2dmi h VAL 33 N -0.48 0.05 -0.16 1.05 -1.51 -2.00 0.94 116.25 114.14 2dmi h VAL 33 Ca -0.04 -0.02 -0.16 0.00 -1.23 0.00 0.00 66.70 65.25 2dmi h VAL 33 Cb 0.36 -0.01 0.01 0.00 -2.13 0.00 0.00 31.29 29.52 2dmi h VAL 33 CO 0.07 0.01 -0.54 -0.33 -1.23 0.00 0.00 177.57 175.54 2dmi h GLU 34 N 0.05 0.65 0.67 5.19 4.39 -1.92 -3.25 114.58 120.36 2dmi h GLU 34 Ca 0.83 -0.49 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 2dmi h GLU 34 Cb 2.22 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 30.96 2dmi h GLU 34 CO -0.72 1.11 -0.32 1.25 -1.16 0.00 0.00 179.01 179.17 2dmi h LEU 35 N 0.33 -0.76 -0.91 1.33 5.85 0.12 -3.16 115.31 118.11 2dmi h LEU 35 Ca -0.02 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.80 2dmi h LEU 35 Cb 1.17 0.20 -0.12 0.00 0.37 0.00 0.00 40.66 42.28 2dmi h LEU 35 CO 0.11 -0.50 -0.50 0.35 -0.34 0.00 0.00 178.44 177.56 2dmi n THR 36 N -5.45 -0.59 -0.29 1.05 -2.24 0.11 0.18 114.28 107.05 2dmi n THR 36 Ca -0.13 2.19 0.02 0.00 -2.27 0.00 0.00 64.05 63.86 2dmi n THR 36 Cb 0.37 -2.74 0.09 0.00 -2.10 0.00 0.00 70.33 65.95 2dmi n THR 36 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2dmi h VAL 37 N 0.00 0.16 -0.37 2.28 2.07 -1.58 0.67 116.25 119.48 2dmi h VAL 37 Ca 0.18 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.65 2dmi h VAL 37 Cb 0.41 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2dmi h VAL 37 CO -0.87 0.00 0.01 -0.74 0.02 0.00 0.00 177.57 176.00 2dmi h HIS 38 N -0.02 0.60 -0.64 1.57 -0.00 -0.24 0.76 115.15 117.18 2dmi h HIS 38 Ca 0.38 -0.06 -0.04 0.00 -0.00 0.00 0.00 60.37 60.64 2dmi h HIS 38 Cb 0.60 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.80 2dmi h HIS 38 CO -0.66 0.57 0.23 0.52 -0.00 0.00 0.00 177.93 178.59 2dmi h MET 39 N 0.55 0.96 0.00 5.26 2.86 0.24 -2.58 114.93 122.22 2dmi h MET 39 Ca 0.12 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 2dmi h MET 39 Cb 0.34 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2dmi h MET 39 CO 0.01 0.81 -0.70 -0.91 1.06 0.00 0.00 176.91 177.17 2dmi h ASN 40 N 0.94 0.00 -1.00 1.22 2.35 -0.62 0.25 115.58 118.71 2dmi h ASN 40 Ca 0.21 -0.22 0.42 0.00 -0.55 0.00 0.00 56.30 56.16 2dmi h ASN 40 Cb 0.23 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.42 2dmi h ASN 40 CO -0.01 1.00 0.54 -1.84 -1.65 0.00 0.00 177.43 175.47 2dmi n GLU 41 N -4.57 -0.06 -0.10 0.81 0.28 0.26 -1.18 120.64 116.08 2dmi n GLU 41 Ca -0.15 1.37 -0.13 0.00 -0.16 0.00 0.00 57.16 58.08 2dmi n GLU 41 Cb 0.40 -2.46 -0.12 0.00 1.43 0.00 0.00 31.44 30.69 2dmi n GLU 41 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2dmi n THR 42 N -5.23 1.25 0.00 3.84 -2.24 -0.97 -5.03 114.28 105.90 2dmi n THR 42 Ca 0.38 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2dmi n THR 42 Cb 1.28 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 2dmi n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmi n GLY 43 N 2.26 1.94 3.21 3.38 0.00 0.65 -5.07 105.19 111.55 2dmi n GLY 43 Ca -0.36 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.06 -2.26 -4.10 1.61 8.25 0.04 -4.74 115.22 113.95 2dmi n HIS 44 Ca 0.00 0.23 -0.10 0.00 -0.26 0.00 0.00 57.72 57.59 2dmi n HIS 44 Cb 0.00 -1.57 -0.10 0.00 1.12 0.00 0.00 29.99 29.44 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 -2.19 0.66 1.16 4.41 2.02 -1.26 -4.30 117.35 117.86 2dmi s TYR 45 Ca 0.49 -0.84 -0.18 0.00 -0.37 0.00 0.00 57.07 56.18 2dmi s TYR 45 Cb -0.12 -0.42 0.19 0.00 -0.40 0.00 0.00 41.96 41.22 2dmi s TYR 45 CO 0.70 -0.21 0.35 -2.13 -1.57 0.00 0.00 175.55 172.69 2dmi n ARG 46 N 0.48 -2.41 -0.01 -0.62 0.63 -1.26 -2.90 116.66 110.57 2dmi n ARG 46 Ca -0.16 -0.70 -0.01 0.00 -0.92 0.00 0.00 57.85 56.06 2dmi n ARG 46 Cb 0.59 -1.75 -0.01 0.00 0.45 0.00 0.00 32.46 31.74 2dmi n ARG 46 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2dmi n ASP 47 N -2.71 3.94 -4.08 6.15 5.75 -1.26 -4.44 116.55 119.91 2dmi n ASP 47 Ca 0.04 -0.01 -0.37 0.00 -0.01 0.00 0.00 54.79 54.44 2dmi n ASP 47 Cb 0.55 0.02 0.06 0.00 -1.03 0.00 0.00 41.12 40.72 2dmi n ASP 47 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2dmi n ASP 48 N -2.51 -3.81 0.00 -1.12 2.03 -1.26 -4.88 116.55 105.01 2dmi n ASP 48 Ca -0.03 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2dmi n ASP 48 Cb 0.53 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 2dmi n ASP 48 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2dmi n ASN 49 N 2.34 0.00 -3.01 1.67 4.05 -1.26 -4.91 115.26 114.14 2dmi n ASN 49 Ca -0.01 0.95 -0.14 0.00 0.45 0.00 0.00 54.58 55.83 2dmi n ASN 49 Cb 0.66 -0.45 0.07 0.00 1.23 0.00 0.00 39.78 41.29 2dmi n ASN 49 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 2dmi n HIS 50 N -2.27 -1.85 -3.83 1.20 8.25 -1.26 -5.03 115.22 110.43 2dmi n HIS 50 Ca 0.00 0.77 -0.21 0.00 -0.26 0.00 0.00 57.72 58.02 2dmi n HIS 50 Cb 0.00 -4.47 -0.03 0.00 1.12 0.00 0.00 29.99 26.61 2dmi n HIS 50 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2dmi s GLU 51 N -5.00 2.90 0.34 -0.41 2.12 -1.26 -5.10 118.70 112.30 2dmi s GLU 51 Ca 0.05 -1.15 -0.27 0.00 0.36 0.00 0.00 54.97 53.97 2dmi s GLU 51 Cb -0.01 -2.59 -0.09 0.00 0.26 0.00 0.00 34.13 31.70 2dmi s GLU 51 CO 0.61 0.18 1.08 0.99 -0.54 0.00 0.00 175.26 177.58 2dmi s THR 52 N -2.22 3.59 -0.44 -1.70 2.01 -1.26 -4.99 115.64 110.64 2dmi s THR 52 Ca 0.39 1.40 -0.28 0.00 0.31 0.00 0.00 61.69 63.51 2dmi s THR 52 Cb -0.07 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.65 2dmi s THR 52 CO 0.27 0.18 1.07 -1.81 -0.69 0.00 0.00 174.62 173.65 2dmi s ASP 53 N -1.22 6.67 0.26 3.53 1.01 -1.26 -5.00 116.67 120.66 2dmi s ASP 53 Ca 0.51 0.52 0.02 0.00 0.71 0.00 0.00 52.55 54.32 2dmi s ASP 53 Cb -0.27 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.10 2dmi s ASP 53 CO 0.34 -1.12 0.21 0.21 0.21 0.00 0.00 175.17 175.02 2dmi s ASN 54 N 2.24 0.84 0.17 0.27 3.04 -1.26 -5.18 114.94 115.06 2dmi s ASN 54 Ca 0.45 -1.55 -0.07 0.00 0.04 0.00 0.00 52.86 51.73 2dmi s ASN 54 Cb -0.09 0.47 -0.02 0.00 -1.54 0.00 0.00 41.25 40.07 2dmi s ASN 54 CO 0.27 -0.96 0.23 0.54 -3.04 0.00 0.00 177.10 174.15 2dmi s ASN 55 N -3.25 0.10 -0.73 -4.21 2.20 -1.26 -5.06 114.94 102.73 2dmi s ASN 55 Ca 0.39 -1.00 -0.21 0.00 -0.94 0.00 0.00 52.86 51.10 2dmi s ASN 55 Cb 0.05 0.41 -0.17 0.00 -2.00 0.00 0.00 41.25 39.54 2dmi s ASN 55 CO 0.19 -0.87 1.93 -0.46 -2.94 0.00 0.00 177.10 174.95 2dmi n ASN 56 N -0.21 0.09 0.21 3.54 0.23 -1.26 -4.71 115.26 113.16 2dmi n ASN 56 Ca -0.06 0.08 0.15 0.00 -0.53 0.00 0.00 54.58 54.23 2dmi n ASN 56 Cb 0.63 -0.64 0.61 0.00 -2.08 0.00 0.00 39.78 38.30 2dmi n ASN 56 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2dmi h PRO 57 N 8.67 0.00 -1.58 -0.53 0.13 -1.97 -3.12 132.00 133.60 2dmi h PRO 57 Ca -0.03 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.42 2dmi h PRO 57 Cb 0.94 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.73 2dmi h PRO 57 CO 1.03 0.00 0.26 1.63 -0.23 0.00 0.00 178.00 180.68 2dmi n LYS 58 N -2.70 3.06 -3.16 0.86 5.02 -1.26 -4.89 118.16 115.08 2dmi n LYS 58 Ca 0.01 -3.88 -0.21 0.00 -2.02 0.00 0.00 58.31 52.21 2dmi n LYS 58 Cb 0.26 -2.27 -0.04 0.00 -0.02 0.00 0.00 35.03 32.97 2dmi n LYS 58 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2dmi n ARG 59 N -0.59 -1.31 -3.31 1.97 0.63 -1.18 -4.81 116.66 108.06 2dmi n ARG 59 Ca 0.49 0.07 -0.46 0.00 -0.92 0.00 0.00 57.85 57.03 2dmi n ARG 59 Cb 0.51 -3.37 -0.04 0.00 0.45 0.00 0.00 32.46 30.00 2dmi n ARG 59 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 2dmi s TRP 60 N -2.26 3.37 -0.02 -0.14 -0.11 -1.26 -5.02 118.94 113.49 2dmi s TRP 60 Ca 0.42 -1.45 -0.02 0.00 1.22 0.00 0.00 56.10 56.26 2dmi s TRP 60 Cb -0.24 -3.81 0.00 0.00 -1.50 0.00 0.00 33.47 27.92 2dmi s TRP 60 CO 0.51 -1.02 0.05 -1.12 -4.62 0.00 0.00 176.95 170.76 2dmi s SER 61 N 3.26 -0.04 0.43 5.86 0.01 -1.26 -4.65 113.70 117.30 2dmi s SER 61 Ca 0.07 0.08 -0.25 0.00 1.31 0.00 0.00 55.95 57.16 2dmi s SER 61 Cb -0.25 0.12 -0.08 0.00 0.21 0.00 0.00 66.02 66.01 2dmi s SER 61 CO 0.00 -0.04 1.25 -0.54 0.41 0.00 0.00 173.24 174.32 2dmi s LYS 62 N -0.07 3.85 1.20 12.44 -0.14 -1.26 -5.02 119.74 130.74 2dmi s LYS 62 Ca -0.01 2.01 -0.19 0.00 -1.36 0.00 0.00 55.97 56.42 2dmi s LYS 62 Cb -0.01 -2.61 0.28 0.00 -1.68 0.00 0.00 37.83 33.81 2dmi s LYS 62 CO 0.00 -0.54 1.11 -1.25 -0.76 0.00 0.00 175.35 173.91 2dmi s PRO 63 N -2.42 -1.18 -0.29 -1.68 0.04 -1.26 -5.09 135.00 123.12 2dmi s PRO 63 Ca 0.60 -0.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.44 2dmi s PRO 63 Cb -0.35 -1.60 0.11 0.00 0.04 0.00 0.00 34.50 32.70 2dmi s PRO 63 CO 0.43 -3.69 0.79 0.50 0.04 0.00 0.00 177.00 175.08 2dmi s ARG 64 N -5.39 0.57 0.10 4.56 3.52 -1.26 -5.15 118.95 115.91 2dmi s ARG 64 Ca 0.71 1.05 -0.30 0.00 -0.13 0.00 0.00 55.73 57.05 2dmi s ARG 64 Cb -0.10 0.21 -0.06 0.00 -1.56 0.00 0.00 34.95 33.45 2dmi s ARG 64 CO 0.56 -0.13 1.02 0.21 -0.81 0.00 0.00 175.30 176.15 2dmi s LYS 65 N 1.72 4.63 -0.21 5.12 2.20 -1.26 -5.02 119.74 126.93 2dmi s LYS 65 Ca -0.09 1.54 -0.33 0.00 -0.36 0.00 0.00 55.97 56.73 2dmi s LYS 65 Cb -0.05 -3.36 0.15 0.00 -1.51 0.00 0.00 37.83 33.05 2dmi s LYS 65 CO -0.18 0.09 1.21 -0.98 -0.36 0.00 0.00 175.35 175.13 2dmi s ARG 66 N 0.17 0.30 0.31 4.03 1.70 -1.26 -5.19 118.95 119.00 2dmi s ARG 66 Ca 0.49 -0.04 -0.12 0.00 -0.47 0.00 0.00 55.73 55.59 2dmi s ARG 66 Cb -0.25 0.14 0.01 0.00 -0.57 0.00 0.00 34.95 34.28 2dmi s ARG 66 CO 0.31 -0.12 0.58 -1.12 -1.08 0.00 0.00 175.30 173.87 2dmi s SER 67 N -1.72 0.15 0.14 -2.89 0.01 -1.26 -5.11 113.70 103.02 2dmi s SER 67 Ca 0.07 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.27 2dmi s SER 67 Cb -0.01 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.91 2dmi s SER 67 CO -0.05 -1.33 0.00 0.18 0.41 0.00 0.00 173.24 172.45 2dmi n LEU 68 N -0.47 0.53 -3.86 2.44 4.32 -1.26 -5.05 117.00 113.65 2dmi n LEU 68 Ca -0.03 0.23 -0.29 0.00 -0.02 0.00 0.00 56.01 55.90 2dmi n LEU 68 Cb 0.61 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 2dmi n LEU 68 CO 0.24 -0.73 -0.17 0.18 -1.22 0.00 0.00 177.39 175.69 2dmi n LEU 69 N -3.33 -2.33 -4.47 2.23 4.32 -1.26 -4.93 117.00 107.23 2dmi n LEU 69 Ca 0.00 -1.03 -0.40 0.00 -0.02 0.00 0.00 56.01 54.56 2dmi n LEU 69 Cb 0.00 -2.25 -0.11 0.00 -1.62 0.00 0.00 43.42 39.44 2dmi n LEU 69 CO 0.00 0.47 -0.14 -1.61 -1.22 0.00 0.00 177.39 174.89 2dmi s GLU 70 N -6.41 3.25 -0.04 3.23 2.02 -1.26 -5.08 118.70 114.42 2dmi s GLU 70 Ca 0.20 -0.80 -0.03 0.00 0.02 0.00 0.00 54.97 54.35 2dmi s GLU 70 Cb -0.08 -3.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.36 2dmi s GLU 70 CO 0.88 -0.53 0.15 -1.64 0.02 0.00 0.00 175.26 174.15 2dmi s MET 71 N 1.66 3.37 0.48 1.61 -1.94 -1.26 -5.11 119.30 118.10 2dmi s MET 71 Ca 0.05 -0.30 0.02 0.00 -1.71 0.00 0.00 55.69 53.75 2dmi s MET 71 Cb -0.18 -3.08 -0.02 0.00 2.01 0.00 0.00 34.83 33.56 2dmi s MET 71 CO 0.09 0.70 0.04 -1.83 -0.01 0.00 0.00 175.02 174.01 2dmi s GLU 72 N -1.66 2.11 0.00 2.03 -1.05 -1.26 -5.17 118.70 113.70 2dmi s GLU 72 Ca 0.23 -2.32 0.00 0.00 -0.15 0.00 0.00 54.97 52.73 2dmi s GLU 72 Cb -0.12 -1.25 0.00 0.00 -0.44 0.00 0.00 34.13 32.31 2dmi s GLU 72 CO 0.14 -0.39 0.00 0.41 0.95 0.00 0.00 175.26 176.37 2dmi n GLY 73 N -1.14 5.17 3.30 -3.83 0.00 -1.26 -4.84 105.19 102.59 2dmi n GLY 73 Ca -0.15 -1.64 -0.18 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.93 -0.92 1.61 2.85 -1.26 -4.66 118.16 114.85 2dmi n LYS 74 Ca 0.00 0.06 -0.30 0.00 -1.05 0.00 0.00 58.31 57.02 2dmi n LYS 74 Cb 0.00 -2.05 -0.00 0.00 -0.65 0.00 0.00 35.03 32.33 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 -2.66 0.00 -1.42 -1.58 2.13 -1.26 -4.47 120.64 111.37 2dmi n GLU 75 Ca -0.09 0.00 -0.49 0.00 0.66 0.00 0.00 57.16 57.24 2dmi n GLU 75 Cb 0.31 -0.71 -0.09 0.00 0.27 0.00 0.00 31.44 31.22 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 1.66 1.44 -3.81 4.31 2.03 -1.26 -4.86 116.55 116.05 2dmi n ASP 76 Ca 0.08 0.31 -0.28 0.00 0.52 0.00 0.00 54.79 55.42 2dmi n ASP 76 Cb 0.28 -1.14 -0.11 0.00 -0.72 0.00 0.00 41.12 39.43 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 10.19 3.60 -2.57 -1.67 0.00 -1.26 -4.86 120.51 123.95 2dmi n ALA 77 Ca 0.49 -4.60 -0.12 0.00 0.00 0.00 0.00 53.44 49.22 2dmi n ALA 77 Cb 0.16 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 1.72 2.23 0.12 0.00 7.27 -1.26 -4.84 117.38 122.61 2dmi n GLN 78 Ca 0.22 -3.73 -0.20 0.00 0.07 0.00 0.00 57.00 53.36 2dmi n GLN 78 Cb 0.36 -1.75 -0.14 0.00 2.41 0.00 0.00 30.24 31.13 2dmi n GLN 78 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 2dmi h LYS 79 N 2.62 0.45 -2.56 3.69 1.57 -2.02 -3.47 116.57 116.85 2dmi h LYS 79 Ca 0.04 -0.71 -0.10 0.00 -1.87 0.00 0.00 60.65 58.01 2dmi h LYS 79 Cb 1.25 0.26 -0.22 0.00 0.08 0.00 0.00 32.23 33.59 2dmi h LYS 79 CO 0.49 1.33 -0.13 0.54 -0.57 0.00 0.00 179.45 181.11 2dmi s VAL 80 N -2.72 0.01 -0.34 0.50 0.11 -1.26 -5.10 120.40 111.60 2dmi s VAL 80 Ca -0.07 -0.07 -0.30 0.00 -2.93 0.00 0.00 61.98 58.61 2dmi s VAL 80 Cb 0.06 -0.71 -0.13 0.00 -1.53 0.00 0.00 36.38 34.07 2dmi s VAL 80 CO 0.92 -0.04 1.37 0.18 -3.33 0.00 0.00 175.10 174.20 2dmi n LEU 81 N 2.40 0.57 -3.87 2.54 4.77 -1.26 -4.85 117.00 117.30 2dmi n LEU 81 Ca -0.15 0.53 -0.11 0.00 -0.03 0.00 0.00 56.01 56.25 2dmi n LEU 81 Cb 0.57 -0.61 -0.11 0.00 -2.33 0.00 0.00 43.42 40.94 2dmi n LEU 81 CO 0.13 -0.53 -0.21 -0.75 -1.33 0.00 0.00 177.39 174.71 2dmi s LYS 82 N 3.65 0.35 -0.49 3.23 2.47 -1.26 -1.27 119.74 126.42 2dmi s LYS 82 Ca 0.79 -0.21 -0.21 0.00 -1.56 0.00 0.00 55.97 54.78 2dmi s LYS 82 Cb -1.02 0.15 0.04 0.00 -1.46 0.00 0.00 37.83 35.54 2dmi s LYS 82 CO 0.47 -0.07 0.70 0.00 0.16 0.00 0.00 175.35 176.60 2dmi h MET 84 N 9.01 0.30 0.00 0.00 4.05 -1.96 1.76 114.93 128.10 2dmi h MET 84 Ca -0.26 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 2dmi h MET 84 Cb 1.09 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 2dmi h MET 84 CO 0.96 0.20 0.00 0.98 0.23 0.00 0.00 176.91 179.28 2dmi n TYR 85 N -5.09 0.00 -0.10 1.39 4.19 -1.26 -3.99 117.16 112.29 2dmi n TYR 85 Ca 0.10 0.00 -0.20 0.00 3.31 0.00 0.00 57.90 61.11 2dmi n TYR 85 Cb 0.34 -0.30 -0.09 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 1.43 0.72 3.38 0.00 0.00 0.60 -5.03 105.19 106.30 2dmi n GLY 87 Ca -0.31 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.29 3.06 -0.48 1.61 3.76 -1.22 -4.79 115.29 116.93 2dmi s HIS 88 Ca 0.00 -0.69 -0.21 0.00 -0.15 0.00 0.00 55.06 54.01 2dmi s HIS 88 Cb 0.00 -2.20 0.04 0.00 1.11 0.00 0.00 32.58 31.53 2dmi s HIS 88 CO 0.00 -0.46 0.70 -1.54 -0.85 0.00 0.00 174.74 172.59 2dmi s SER 89 N 1.55 6.29 -0.15 1.40 1.04 -1.26 -1.82 113.70 120.75 2dmi s SER 89 Ca 0.06 -0.54 -0.06 0.00 0.48 0.00 0.00 55.95 55.89 2dmi s SER 89 Cb -0.15 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 2dmi s SER 89 CO 0.01 -0.91 0.05 -0.36 0.98 0.00 0.00 173.24 173.02 2dmi s PHE 90 N 2.98 3.26 0.16 5.02 0.08 -0.39 -4.99 117.98 124.10 2dmi s PHE 90 Ca 0.22 0.13 -0.12 0.00 0.12 0.00 0.00 56.93 57.28 2dmi s PHE 90 Cb -0.16 -1.99 0.06 0.00 -0.57 0.00 0.00 43.02 40.36 2dmi s PHE 90 CO 0.17 0.28 1.69 0.93 -0.10 0.00 0.00 175.22 178.19 2dmi h GLU 91 N 6.16 0.87 -5.76 0.44 5.08 -1.96 -3.39 114.58 116.02 2dmi h GLU 91 Ca -0.42 -0.19 -0.65 0.00 -1.00 0.00 0.00 59.36 57.11 2dmi h GLU 91 Cb 1.18 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 2dmi h GLU 91 CO 0.65 0.79 -0.40 -1.12 -1.00 0.00 0.00 179.01 177.93 2dmi s SER 92 N -6.15 6.51 0.18 1.42 0.01 -1.26 -4.94 113.70 109.47 2dmi s SER 92 Ca -0.13 0.60 -0.13 0.00 1.31 0.00 0.00 55.95 57.61 2dmi s SER 92 Cb 0.12 -2.12 0.16 0.00 0.21 0.00 0.00 66.02 64.40 2dmi s SER 92 CO 0.80 0.37 1.77 0.25 0.41 0.00 0.00 173.24 176.84 2dmi h LEU 93 N 4.80 0.31 -0.82 2.44 5.85 -2.00 -1.98 115.31 123.91 2dmi h LEU 93 Ca -0.54 0.04 0.19 0.00 0.84 0.00 0.00 57.88 58.42 2dmi h LEU 93 Cb 1.22 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.13 2dmi h LEU 93 CO 0.60 0.21 0.28 -0.61 -0.34 0.00 0.00 178.44 178.58 2dmi h GLN 94 N 0.45 0.33 -0.06 1.25 5.75 -1.97 0.61 115.11 121.47 2dmi h GLN 94 Ca 0.24 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 2dmi h GLN 94 Cb 0.19 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.66 2dmi h GLN 94 CO -0.19 0.22 0.03 -0.44 -2.65 0.00 0.00 178.83 175.80 2dmi h ASP 95 N 0.34 0.06 -0.09 -0.69 5.19 -1.75 0.45 116.42 119.92 2dmi h ASP 95 Ca 0.49 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.91 2dmi h ASP 95 Cb 0.88 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 2dmi h ASP 95 CO -0.52 0.04 0.02 0.25 -3.12 0.00 0.00 179.24 175.91 2dmi h LEU 96 N 0.08 0.01 0.03 1.55 7.12 -0.87 -1.92 115.31 121.30 2dmi h LEU 96 Ca 0.02 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.04 2dmi h LEU 96 Cb -0.00 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.14 2dmi h LEU 96 CO -0.01 0.02 -0.01 -1.28 -0.13 0.00 0.00 178.44 177.03 2dmi h SER 97 N 0.06 -0.03 -1.70 1.25 0.87 -0.80 -3.09 113.55 110.10 2dmi h SER 97 Ca 0.04 0.00 0.50 0.00 -1.23 0.00 0.00 61.79 61.10 2dmi h SER 97 Cb 0.03 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 61.92 2dmi h SER 97 CO -0.05 -0.01 1.22 0.55 -0.53 0.00 0.00 176.83 178.00 2dmi n VAL 98 N -2.14 -0.02 -0.08 2.23 3.14 0.16 0.20 118.33 121.82 2dmi n VAL 98 Ca -0.00 1.34 -0.11 0.00 -2.96 0.00 0.00 64.34 62.60 2dmi n VAL 98 Cb 0.01 -2.23 -0.05 0.00 -1.06 0.00 0.00 33.84 30.52 2dmi n VAL 98 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 2dmi h HIS 99 N 0.00 0.45 0.00 1.45 -0.00 -1.28 -2.40 115.15 113.37 2dmi h HIS 99 Ca 0.83 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 61.10 2dmi h HIS 99 Cb 3.27 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 30.56 2dmi h HIS 99 CO -0.00 0.59 -0.09 0.52 -0.00 0.00 0.00 177.93 178.95 2dmi h MET 100 N 0.18 0.00 0.01 5.26 2.86 0.23 0.48 114.93 123.95 2dmi h MET 100 Ca 0.07 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.52 2dmi h MET 100 Cb 0.42 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 2dmi h MET 100 CO 0.01 0.09 -0.88 0.82 1.06 0.00 0.00 176.91 178.01 2dmi h ILE 101 N 0.00 1.58 0.00 -1.22 1.08 -1.10 -0.90 117.51 116.95 2dmi h ILE 101 Ca -0.00 -2.87 -0.08 0.00 -0.39 0.00 0.00 64.86 61.51 2dmi h ILE 101 Cb 0.44 2.58 -0.01 0.00 -3.07 0.00 0.00 36.82 36.75 2dmi h ILE 101 CO 0.01 0.83 -0.74 0.11 -0.69 0.00 0.00 178.15 177.67 2dmi h LYS 102 N 0.03 0.00 0.00 2.37 1.57 -0.95 -3.37 116.57 116.22 2dmi h LYS 102 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2dmi h LYS 102 Cb 1.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.85 2dmi h LYS 102 CO 0.12 0.37 0.00 0.25 -0.57 0.00 0.00 179.45 179.62 2dmi n THR 103 N -4.56 0.83 -3.53 -0.16 -2.24 0.12 -4.91 114.28 99.82 2dmi n THR 103 Ca -0.16 0.21 -0.21 0.00 -2.27 0.00 0.00 64.05 61.63 2dmi n THR 103 Cb 0.40 -1.13 0.05 0.00 -2.10 0.00 0.00 70.33 67.56 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 -3.92 -0.06 -0.78 4.01 -0.36 -4.94 118.16 109.92 2dmi n LYS 104 Ca 0.02 0.70 -0.22 0.00 -0.51 0.00 0.00 58.31 58.30 2dmi n LYS 104 Cb 0.23 -5.28 -0.12 0.00 -0.51 0.00 0.00 35.03 29.34 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 -3.97 1.02 0.30 2.13 8.25 -1.10 -2.74 115.22 119.11 2dmi n HIS 105 Ca -0.21 0.32 0.19 0.00 -0.26 0.00 0.00 57.72 57.77 2dmi n HIS 105 Cb 0.65 -1.12 0.91 0.00 1.12 0.00 0.00 29.99 31.55 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 -0.50 0.00 0.10 4.41 -0.00 -1.93 -1.66 116.97 117.39 2dmi h TYR 106 Ca -0.41 0.00 -0.35 0.00 -0.00 0.00 0.00 58.73 57.96 2dmi h TYR 106 Cb 1.66 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 38.37 2dmi h TYR 106 CO 0.07 0.01 -1.96 1.04 -0.00 0.00 0.00 178.16 177.32 2dmi n GLN 107 N -3.14 0.72 0.40 0.10 1.13 -1.26 -3.99 117.38 111.35 2dmi n GLN 107 Ca -0.01 0.29 -0.17 0.00 -1.94 0.00 0.00 57.00 55.17 2dmi n GLN 107 Cb 0.20 -1.69 -0.08 0.00 0.11 0.00 0.00 30.24 28.78 2dmi n GLN 107 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2dmi h LYS 108 N -0.09 -1.00 -1.19 -1.09 3.64 -1.31 -2.96 116.57 112.58 2dmi h LYS 108 Ca -0.44 0.07 0.37 0.00 -1.27 0.00 0.00 60.65 59.38 2dmi h LYS 108 Cb 1.92 0.23 -0.12 0.00 -0.41 0.00 0.00 32.23 33.85 2dmi h LYS 108 CO 0.02 -0.65 0.76 -0.24 -2.27 0.00 0.00 179.45 177.07 2dmi h VAL 109 N -1.22 0.28 -1.15 2.00 3.04 -1.53 -3.40 116.25 114.27 2dmi h VAL 109 Ca -0.11 -0.07 -0.49 0.00 -1.01 0.00 0.00 66.70 65.02 2dmi h VAL 109 Cb 0.81 0.05 0.05 0.00 -2.01 0.00 0.00 31.29 30.19 2dmi h VAL 109 CO 0.17 0.04 -0.01 -0.94 -1.01 0.00 0.00 177.57 175.82 2dmi s SER 110 N -4.80 4.75 -0.20 3.17 1.04 -1.12 -5.12 113.70 111.42 2dmi s SER 110 Ca -0.08 -0.75 -0.05 0.00 0.48 0.00 0.00 55.95 55.55 2dmi s SER 110 Cb 0.28 0.33 0.10 0.00 0.10 0.00 0.00 66.02 66.83 2dmi s SER 110 CO 0.81 -1.60 0.34 -0.83 0.98 0.00 0.00 173.24 172.93 2dmi s GLY 111 N -4.73 -0.27 0.12 7.32 0.00 -1.26 -4.89 107.32 103.61 2dmi s GLY 111 Ca 0.64 0.99 -0.02 0.00 0.00 0.00 0.00 44.72 46.33 2dmi s GLY 111 CO 0.42 2.35 0.11 -1.55 0.00 0.00 0.00 173.10 174.42 2dmi n PRO 112 N 5.36 -1.23 -3.86 2.90 -0.04 -1.26 -5.11 135.00 131.77 2dmi n PRO 112 Ca -0.06 -0.17 -0.08 0.00 -0.04 0.00 0.00 63.50 63.15 2dmi n PRO 112 Cb 0.50 -0.16 -0.01 0.00 -0.04 0.00 0.00 33.50 33.79 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 -1.80 -0.15 0.23 3.54 0.15 -1.26 -5.19 113.70 109.22 2dmi s SER 113 Ca 0.07 -0.80 -0.21 0.00 0.70 0.00 0.00 55.95 55.71 2dmi s SER 113 Cb -0.01 0.76 0.04 0.00 -1.71 0.00 0.00 66.02 65.10 2dmi s SER 113 CO 0.05 -1.44 0.64 -0.55 1.20 0.00 0.00 173.24 173.14 2dmi s SER 114 N -2.97 -0.34 0.00 5.45 0.15 -1.26 -5.38 113.70 109.34 2dmi s SER 114 Ca 0.13 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2dmi s SER 114 Cb -0.05 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2dmi s SER 114 CO 0.09 -1.17 0.00 0.61 1.20 0.00 0.00 173.24 173.96