#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 2.99 -0.25 1.61 0.15 -1.26 -5.11 113.70 111.84 2dmi s SER 2 Ca 0.00 -0.84 -0.28 0.00 0.70 0.00 0.00 55.95 55.53 2dmi s SER 2 Cb 0.00 -0.69 0.16 0.00 -1.71 0.00 0.00 66.02 63.77 2dmi s SER 2 CO 0.00 -0.28 1.20 -0.94 1.20 0.00 0.00 173.24 174.42 2dmi s SER 3 N 1.78 -0.22 -0.26 5.45 1.04 -1.26 -5.14 113.70 115.09 2dmi s SER 3 Ca -0.01 0.31 -0.00 0.00 0.48 0.00 0.00 55.95 56.73 2dmi s SER 3 Cb -0.17 0.28 0.08 0.00 0.10 0.00 0.00 66.02 66.31 2dmi s SER 3 CO -0.08 -0.15 0.03 -0.83 0.98 0.00 0.00 173.24 173.19 2dmi s GLY 4 N -0.63 1.12 -0.18 7.32 0.00 -1.26 -5.11 107.32 108.58 2dmi s GLY 4 Ca 0.04 -1.39 -0.08 0.00 0.00 0.00 0.00 44.72 43.29 2dmi s GLY 4 CO -0.06 1.29 0.08 -0.56 0.00 0.00 0.00 173.10 173.85 2dmi s SER 5 N 1.55 5.81 -0.07 1.64 0.01 -1.26 -5.09 113.70 116.29 2dmi s SER 5 Ca 0.02 0.13 -0.22 0.00 1.31 0.00 0.00 55.95 57.19 2dmi s SER 5 Cb -0.18 -2.00 0.05 0.00 0.21 0.00 0.00 66.02 64.10 2dmi s SER 5 CO -0.13 0.18 0.51 -0.44 0.41 0.00 0.00 173.24 173.78 2dmi s SER 6 N 0.31 -0.47 0.00 2.44 0.01 -1.26 -5.13 113.70 109.60 2dmi s SER 6 Ca 0.05 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.89 2dmi s SER 6 Cb -0.12 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2dmi s SER 6 CO -0.00 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.80 2dmi n GLY 7 N 1.48 1.09 3.21 3.44 0.00 -1.26 -5.11 105.19 108.05 2dmi n GLY 7 Ca -0.19 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 0.69 3.12 -1.14 1.61 -0.14 -1.26 -5.04 119.74 117.59 2dmi s LYS 8 Ca 0.00 -0.79 -0.23 0.00 -1.36 0.00 0.00 55.97 53.58 2dmi s LYS 8 Cb 0.00 -2.56 -0.12 0.00 -1.68 0.00 0.00 37.83 33.46 2dmi s LYS 8 CO 0.00 -0.03 1.96 1.47 -0.76 0.00 0.00 175.35 177.99 2dmi n LEU 9 N 4.16 2.80 -4.71 3.17 -0.00 -1.26 -4.91 117.00 116.26 2dmi n LEU 9 Ca -0.20 -3.03 -0.37 0.00 -0.00 0.00 0.00 56.01 52.41 2dmi n LEU 9 Cb 0.51 -1.70 -0.07 0.00 -0.00 0.00 0.00 43.42 42.16 2dmi n LEU 9 CO 0.28 -2.09 0.01 -0.31 -0.00 0.00 0.00 177.39 175.28 2dmi s TYR 10 N 11.86 3.43 0.00 1.47 2.02 -1.26 -5.08 117.35 129.80 2dmi s TYR 10 Ca 0.70 0.59 0.00 0.00 -0.37 0.00 0.00 57.07 58.00 2dmi s TYR 10 Cb -0.00 -2.39 0.00 0.00 -0.40 0.00 0.00 41.96 39.16 2dmi s TYR 10 CO 0.15 0.16 0.00 0.41 -1.57 0.00 0.00 175.55 174.70 2dmi n GLY 11 N 3.57 4.81 2.93 0.71 0.00 -1.26 -5.12 105.19 110.82 2dmi n GLY 11 Ca -0.11 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.51 2dmi n GLY 11 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmi s SER 12 N -0.23 4.16 0.10 1.61 0.15 -1.26 -5.10 113.70 113.13 2dmi s SER 12 Ca 0.00 -1.54 -0.31 0.00 0.70 0.00 0.00 55.95 54.80 2dmi s SER 12 Cb 0.00 -1.25 -0.08 0.00 -1.71 0.00 0.00 66.02 62.98 2dmi s SER 12 CO 0.00 -0.31 1.49 -0.63 1.20 0.00 0.00 173.24 174.99 2dmi s ILE 13 N 1.29 3.16 0.84 6.45 1.01 -1.26 -5.00 121.20 127.70 2dmi s ILE 13 Ca 0.02 0.75 -0.14 0.00 0.00 0.00 0.00 60.65 61.28 2dmi s ILE 13 Cb -0.19 -3.48 0.22 0.00 0.01 0.00 0.00 42.46 39.02 2dmi s ILE 13 CO -0.10 0.03 0.52 2.22 0.00 0.00 0.00 174.94 177.61 2dmi n PHE 14 N 4.56 -3.12 -3.66 3.97 -1.74 -1.26 -5.08 117.46 111.14 2dmi n PHE 14 Ca 0.13 -0.49 -0.14 0.00 -0.56 0.00 0.00 57.45 56.39 2dmi n PHE 14 Cb 0.41 -0.72 -0.08 0.00 1.52 0.00 0.00 39.48 40.61 2dmi n PHE 14 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 2dmi s THR 15 N -1.71 0.00 0.56 1.97 -1.32 -1.26 -5.18 115.64 108.71 2dmi s THR 15 Ca 0.39 -0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.92 2dmi s THR 15 Cb -0.07 -0.87 0.10 0.00 -1.51 0.00 0.00 72.50 70.15 2dmi s THR 15 CO 0.33 -0.00 0.77 0.61 -2.21 0.00 0.00 174.62 174.11 2dmi n GLY 16 N 2.68 1.41 3.63 6.08 0.00 -1.26 -5.14 105.19 112.59 2dmi n GLY 16 Ca -0.14 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.83 -1.86 -0.30 4.61 0.00 -1.26 -5.16 121.76 114.97 2dmi s ALA 17 Ca 0.55 1.94 -0.09 0.00 0.00 0.00 0.00 51.96 54.36 2dmi s ALA 17 Cb -0.04 -1.24 0.16 0.00 0.00 0.00 0.00 23.12 22.00 2dmi s ALA 17 CO 0.36 -0.30 0.77 0.45 0.00 0.00 0.00 175.76 177.03 2dmi s SER 18 N 0.25 -0.99 0.06 0.00 0.15 -1.26 -4.98 113.70 106.92 2dmi s SER 18 Ca 0.01 1.04 -0.15 0.00 0.70 0.00 0.00 55.95 57.55 2dmi s SER 18 Cb -0.05 2.00 -0.25 0.00 -1.71 0.00 0.00 66.02 66.02 2dmi s SER 18 CO -0.02 -0.19 1.16 0.11 1.20 0.00 0.00 173.24 175.50 2dmi h LYS 19 N 7.88 0.65 -4.99 5.44 1.79 -1.67 -3.48 116.57 122.19 2dmi h LYS 19 Ca -0.18 -0.73 -0.50 0.00 -2.18 0.00 0.00 60.65 57.06 2dmi h LYS 19 Cb 1.13 0.22 -0.13 0.00 -1.58 0.00 0.00 32.23 31.86 2dmi h LYS 19 CO 0.12 1.31 -0.53 -0.06 -1.08 0.00 0.00 179.45 179.20 2dmi s PHE 20 N -3.23 1.74 0.29 -1.35 0.40 -0.77 -5.00 117.98 110.07 2dmi s PHE 20 Ca -0.10 -1.32 -0.10 0.00 -0.60 0.00 0.00 56.93 54.81 2dmi s PHE 20 Cb 0.06 -1.04 0.00 0.00 0.51 0.00 0.00 43.02 42.56 2dmi s PHE 20 CO 0.91 -0.39 0.51 1.03 0.70 0.00 0.00 175.22 177.98 2dmi s ARG 21 N -3.73 1.74 -0.15 0.44 0.52 -1.26 -2.78 118.95 113.72 2dmi s ARG 21 Ca 0.30 -1.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 2dmi s ARG 21 Cb 0.04 0.48 -0.00 0.00 0.52 0.00 0.00 34.95 35.99 2dmi s ARG 21 CO 0.17 -0.74 -0.16 0.00 0.02 0.00 0.00 175.30 174.59 2dmi h LYS 23 N 7.31 1.20 0.00 0.00 2.10 -1.46 -3.31 116.57 122.42 2dmi h LYS 23 Ca -0.33 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2dmi h LYS 23 Cb 1.19 -0.27 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 2dmi h LYS 23 CO 0.57 0.80 0.00 -0.25 -2.00 0.00 0.00 179.45 178.56 2dmi n ASP 24 N -4.46 0.00 -4.88 7.07 9.92 -1.26 -4.89 116.55 118.04 2dmi n ASP 24 Ca 0.14 0.38 -0.30 0.00 -0.53 0.00 0.00 54.79 54.48 2dmi n ASP 24 Cb 0.12 -0.19 0.01 0.00 -0.64 0.00 0.00 41.12 40.41 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 -2.55 6.41 -4.88 0.00 2.88 -1.26 -3.98 113.62 110.23 2dmi n SER 26 Ca 0.04 -3.03 -0.21 0.00 -1.33 0.00 0.00 58.87 54.34 2dmi n SER 26 Cb 0.54 -1.07 0.08 0.00 -0.75 0.00 0.00 64.21 63.01 2dmi n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dmi s ALA 27 N -1.70 4.26 0.16 -1.46 0.00 -1.26 -4.96 121.76 116.79 2dmi s ALA 27 Ca 0.30 -1.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.15 2dmi s ALA 27 Cb 0.23 -1.72 0.05 0.00 0.00 0.00 0.00 23.12 21.68 2dmi s ALA 27 CO -0.01 -1.06 0.51 0.00 0.00 0.00 0.00 175.76 175.20 2dmi s ALA 28 N -2.84 -1.19 0.22 0.00 0.00 -1.26 -2.60 121.76 114.08 2dmi s ALA 28 Ca 0.63 0.10 -0.00 0.00 0.00 0.00 0.00 51.96 52.69 2dmi s ALA 28 Cb -0.06 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 2dmi s ALA 28 CO 0.41 -0.74 0.15 0.71 0.00 0.00 0.00 175.76 176.28 2dmi s TYR 29 N -3.80 1.23 -0.17 0.00 1.51 -1.12 -4.97 117.35 110.03 2dmi s TYR 29 Ca 0.04 -1.41 -0.08 0.00 -1.01 0.00 0.00 57.07 54.61 2dmi s TYR 29 Cb -0.00 -0.58 -0.22 0.00 -0.11 0.00 0.00 41.96 41.04 2dmi s TYR 29 CO -0.10 -0.66 0.17 -0.25 -1.11 0.00 0.00 175.55 173.60 2dmi n ASP 30 N -0.42 2.04 -4.33 2.29 8.00 -1.26 -1.84 116.55 121.03 2dmi n ASP 30 Ca 0.03 0.18 -0.32 0.00 0.71 0.00 0.00 54.79 55.39 2dmi n ASP 30 Cb 0.66 -0.79 -0.15 0.00 -0.02 0.00 0.00 41.12 40.82 2dmi n ASP 30 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2dmi s THR 31 N -2.51 2.65 0.08 -3.53 -4.23 -1.26 -4.58 115.64 102.26 2dmi s THR 31 Ca -0.27 -0.82 -0.27 0.00 -1.18 0.00 0.00 61.69 59.14 2dmi s THR 31 Cb 0.08 -2.06 -0.12 0.00 1.34 0.00 0.00 72.50 71.74 2dmi s THR 31 CO 0.69 0.55 1.44 0.25 -0.54 0.00 0.00 174.62 177.00 2dmi h LEU 32 N 6.43 -1.26 -0.87 4.79 7.12 -1.97 -0.95 115.31 128.59 2dmi h LEU 32 Ca -0.28 0.13 0.31 0.00 0.13 0.00 0.00 57.88 58.18 2dmi h LEU 32 Cb 1.21 0.47 -0.10 0.00 -0.53 0.00 0.00 40.66 41.70 2dmi h LEU 32 CO 0.51 -0.44 0.54 1.33 -0.13 0.00 0.00 178.44 180.26 2dmi n VAL 33 N -4.83 -0.20 -0.04 1.05 0.24 -1.26 0.18 118.33 113.48 2dmi n VAL 33 Ca -0.07 1.25 -0.13 0.00 -2.04 0.00 0.00 64.34 63.36 2dmi n VAL 33 Cb 0.33 -2.05 -0.11 0.00 -1.47 0.00 0.00 33.84 30.53 2dmi n VAL 33 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2dmi h GLU 34 N 0.00 -0.01 0.07 7.34 5.08 -1.62 -3.27 114.58 122.16 2dmi h GLU 34 Ca 0.59 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.98 2dmi h GLU 34 Cb 1.82 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.03 2dmi h GLU 34 CO -0.36 0.72 -0.39 1.25 -1.00 0.00 0.00 179.01 179.23 2dmi h LEU 35 N -0.78 -1.16 -0.99 1.33 5.85 0.25 -2.52 115.31 117.29 2dmi h LEU 35 Ca -0.00 0.14 0.15 0.00 0.84 0.00 0.00 57.88 59.00 2dmi h LEU 35 Cb 0.74 0.44 -0.16 0.00 0.37 0.00 0.00 40.66 42.06 2dmi h LEU 35 CO 0.00 -0.45 -0.40 0.71 -0.34 0.00 0.00 178.44 177.96 2dmi h THR 36 N -0.59 0.00 -0.85 1.05 1.35 -1.33 0.00 112.91 112.55 2dmi h THR 36 Ca 0.04 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.98 2dmi h THR 36 Cb 0.64 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 66.95 2dmi h THR 36 CO -0.26 0.00 -0.56 0.58 -0.25 0.00 0.00 175.52 175.03 2dmi h VAL 37 N -0.00 0.00 -0.70 6.82 2.07 -1.50 0.36 116.25 123.29 2dmi h VAL 37 Ca 0.33 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.96 2dmi h VAL 37 Cb 0.59 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.28 2dmi h VAL 37 CO -0.98 0.00 0.32 -0.74 0.02 0.00 0.00 177.57 176.19 2dmi h HIS 38 N -0.08 0.56 -0.39 1.57 -0.00 -1.01 0.34 115.15 116.15 2dmi h HIS 38 Ca 0.14 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.56 2dmi h HIS 38 Cb 0.43 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 2dmi h HIS 38 CO -0.97 0.16 0.21 0.52 -0.00 0.00 0.00 177.93 177.86 2dmi h MET 39 N 0.53 0.42 0.51 5.26 2.86 0.25 -0.32 114.93 124.43 2dmi h MET 39 Ca 0.36 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.95 2dmi h MET 39 Cb 0.44 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.01 2dmi h MET 39 CO -0.31 0.28 -0.25 -0.91 1.06 0.00 0.00 176.91 176.78 2dmi h ASN 40 N 0.43 -0.59 -0.17 1.22 -0.26 0.49 0.83 115.58 117.53 2dmi h ASN 40 Ca 0.16 -0.03 0.03 0.00 -0.56 0.00 0.00 56.30 55.89 2dmi h ASN 40 Cb 0.04 0.15 -0.05 0.00 -1.06 0.00 0.00 38.32 37.40 2dmi h ASN 40 CO -0.09 -0.18 -0.35 -0.33 -1.06 0.00 0.00 177.43 175.42 2dmi h GLU 41 N -1.11 -0.30 0.15 0.81 4.39 -0.35 -2.97 114.58 115.20 2dmi h GLU 41 Ca -0.07 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2dmi h GLU 41 Cb 0.58 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2dmi h GLU 41 CO 0.12 -0.20 -0.07 1.79 -1.16 0.00 0.00 179.01 179.49 2dmi h THR 42 N -0.31 1.00 0.00 1.13 1.35 -1.17 -3.48 112.91 111.42 2dmi h THR 42 Ca 0.03 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 2dmi h THR 42 Cb 0.41 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2dmi h THR 42 CO -0.33 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 175.71 2dmi n GLY 43 N -0.25 1.22 1.62 5.82 0.00 0.27 -5.06 105.19 108.80 2dmi n GLY 43 Ca -0.09 0.00 -0.12 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 0.00 -2.42 -3.81 1.61 8.25 -0.04 -4.78 115.22 114.03 2dmi n HIS 44 Ca 0.00 -0.25 -0.05 0.00 -0.26 0.00 0.00 57.72 57.16 2dmi n HIS 44 Cb 0.00 -0.68 -0.01 0.00 1.12 0.00 0.00 29.99 30.43 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 -1.45 -0.10 0.72 4.41 5.04 -1.26 -4.22 117.35 120.48 2dmi s TYR 45 Ca 0.27 -0.31 -0.13 0.00 -2.44 0.00 0.00 57.07 54.46 2dmi s TYR 45 Cb -0.05 0.69 0.03 0.00 0.35 0.00 0.00 41.96 42.98 2dmi s TYR 45 CO 0.23 -1.05 1.10 0.50 -1.34 0.00 0.00 175.55 174.98 2dmi s ARG 46 N -3.24 2.53 -0.15 4.97 3.52 -1.26 -1.35 118.95 123.97 2dmi s ARG 46 Ca 0.13 1.28 -0.15 0.00 -0.13 0.00 0.00 55.73 56.86 2dmi s ARG 46 Cb -0.03 -1.92 -0.24 0.00 -1.56 0.00 0.00 34.95 31.19 2dmi s ARG 46 CO 0.05 -1.45 0.38 0.22 -0.81 0.00 0.00 175.30 173.69 2dmi h ASP 47 N -0.55 0.25 -0.11 -2.12 3.58 -1.91 -3.34 116.42 112.23 2dmi h ASP 47 Ca -0.45 -0.77 0.00 0.00 0.42 0.00 0.00 57.03 56.23 2dmi h ASP 47 Cb 1.24 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2dmi h ASP 47 CO 0.53 1.65 0.00 0.47 -2.88 0.00 0.00 179.24 179.00 2dmi n ASP 48 N -3.97 1.22 -4.48 2.28 8.00 -1.26 -4.92 116.55 113.42 2dmi n ASP 48 Ca -0.30 -2.08 -0.33 0.00 0.71 0.00 0.00 54.79 52.80 2dmi n ASP 48 Cb 0.87 -0.31 0.12 0.00 -0.02 0.00 0.00 41.12 41.78 2dmi n ASP 48 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2dmi n ASN 49 N -0.02 -1.40 -4.59 -2.24 0.23 -1.25 -4.88 115.26 101.10 2dmi n ASN 49 Ca 0.04 0.39 -0.43 0.00 -0.53 0.00 0.00 54.58 54.06 2dmi n ASN 49 Cb 0.26 -1.27 -0.02 0.00 -2.08 0.00 0.00 39.78 36.66 2dmi n ASN 49 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 2dmi s HIS 50 N -2.35 2.83 0.43 -2.53 3.76 -1.26 -5.01 115.29 111.15 2dmi s HIS 50 Ca 0.61 0.64 0.07 0.00 -0.15 0.00 0.00 55.06 56.22 2dmi s HIS 50 Cb -0.24 -4.35 -0.05 0.00 1.11 0.00 0.00 32.58 29.06 2dmi s HIS 50 CO 0.64 -1.25 0.18 -1.83 -0.85 0.00 0.00 174.74 171.63 2dmi s GLU 51 N 4.33 2.22 0.75 1.40 -1.05 -1.26 -5.11 118.70 119.97 2dmi s GLU 51 Ca 0.46 -1.90 -0.15 0.00 -0.15 0.00 0.00 54.97 53.23 2dmi s GLU 51 Cb -0.08 -1.95 0.05 0.00 -0.44 0.00 0.00 34.13 31.71 2dmi s GLU 51 CO 0.31 -0.16 1.23 0.95 0.95 0.00 0.00 175.26 178.53 2dmi s THR 52 N -2.63 2.11 0.02 1.83 -4.23 -1.26 -4.91 115.64 106.57 2dmi s THR 52 Ca 0.39 0.05 -0.30 0.00 -1.18 0.00 0.00 61.69 60.64 2dmi s THR 52 Cb 0.04 -2.64 -0.07 0.00 1.34 0.00 0.00 72.50 71.17 2dmi s THR 52 CO 0.21 -0.03 1.55 -1.81 -0.54 0.00 0.00 174.62 174.01 2dmi s ASP 53 N -1.94 6.71 0.17 3.99 1.11 -1.26 -4.91 116.67 120.54 2dmi s ASP 53 Ca 0.76 2.30 -0.24 0.00 0.18 0.00 0.00 52.55 55.55 2dmi s ASP 53 Cb -0.31 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.17 2dmi s ASP 53 CO 0.47 -0.83 1.58 0.78 1.18 0.00 0.00 175.17 178.35 2dmi h ASN 54 N 8.30 -1.30 -5.62 0.27 -0.26 -2.07 -3.45 115.58 111.44 2dmi h ASN 54 Ca -0.40 0.22 -0.38 0.00 -0.56 0.00 0.00 56.30 55.18 2dmi h ASN 54 Cb 1.19 0.60 0.13 0.00 -1.06 0.00 0.00 38.32 39.18 2dmi h ASN 54 CO 0.92 -0.33 -0.65 0.59 -1.06 0.00 0.00 177.43 176.90 2dmi n ASN 55 N -5.42 -6.05 -4.70 5.81 4.13 -1.26 -4.90 115.26 102.88 2dmi n ASN 55 Ca 0.01 -0.52 -0.44 0.00 1.68 0.00 0.00 54.58 55.32 2dmi n ASN 55 Cb 0.35 -4.83 -0.04 0.00 -1.54 0.00 0.00 39.78 33.72 2dmi n ASN 55 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2dmi n ASN 56 N -2.82 3.57 0.00 6.41 5.15 -1.26 -4.84 115.26 121.47 2dmi n ASN 56 Ca -0.00 1.07 0.07 0.00 -0.60 0.00 0.00 54.58 55.12 2dmi n ASN 56 Cb 0.56 -1.51 0.40 0.00 -0.53 0.00 0.00 39.78 38.71 2dmi n ASN 56 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2dmi n PRO 57 N 3.71 0.49 -1.61 1.20 -0.04 -1.26 -3.63 135.00 133.86 2dmi n PRO 57 Ca 0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.30 2dmi n PRO 57 Cb 0.32 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.93 2.52 -2.24 0.54 4.76 -1.26 -4.98 118.16 116.57 2dmi n LYS 58 Ca 0.10 -2.85 -0.33 0.00 -2.87 0.00 0.00 58.31 52.37 2dmi n LYS 58 Cb 0.05 -2.17 -0.01 0.00 -1.84 0.00 0.00 35.03 31.05 2dmi n LYS 58 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2dmi s ARG 59 N -2.86 3.63 0.78 1.97 3.52 -1.24 -5.07 118.95 119.68 2dmi s ARG 59 Ca 0.55 1.11 -0.04 0.00 -0.13 0.00 0.00 55.73 57.21 2dmi s ARG 59 Cb 0.41 -2.08 0.15 0.00 -1.56 0.00 0.00 34.95 31.86 2dmi s ARG 59 CO -0.27 -0.55 1.07 -1.58 -0.81 0.00 0.00 175.30 173.16 2dmi s TRP 60 N -2.49 1.56 0.44 5.12 0.23 -1.26 -5.12 118.94 117.41 2dmi s TRP 60 Ca 0.62 -0.15 0.06 0.00 -2.03 0.00 0.00 56.10 54.60 2dmi s TRP 60 Cb -0.13 -3.25 -0.04 0.00 0.03 0.00 0.00 33.47 30.08 2dmi s TRP 60 CO 0.33 -1.94 0.14 -1.54 0.96 0.00 0.00 176.95 174.91 2dmi s SER 61 N -4.78 4.29 0.24 2.95 1.04 -1.26 -5.15 113.70 111.03 2dmi s SER 61 Ca 0.68 -1.23 0.09 0.00 0.48 0.00 0.00 55.95 55.97 2dmi s SER 61 Cb -0.05 -0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.78 2dmi s SER 61 CO 0.46 -0.62 -0.02 -0.54 0.98 0.00 0.00 173.24 173.51 2dmi s LYS 62 N -3.90 2.28 1.11 4.02 3.01 -1.26 -5.14 119.74 119.86 2dmi s LYS 62 Ca 0.35 -1.35 -0.19 0.00 -1.01 0.00 0.00 55.97 53.77 2dmi s LYS 62 Cb 0.04 -2.19 0.27 0.00 -1.01 0.00 0.00 37.83 34.95 2dmi s LYS 62 CO 0.19 0.39 0.98 -0.35 0.51 0.00 0.00 175.35 177.07 2dmi n PRO 63 N -0.66 -2.93 -3.95 -1.68 -0.04 -1.26 -5.05 135.00 119.43 2dmi n PRO 63 Ca -0.07 -1.57 -0.32 0.00 -0.04 0.00 0.00 63.50 61.50 2dmi n PRO 63 Cb 0.58 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 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 -5.23 3.33 0.63 0.54 3.00 -1.26 -5.10 118.95 114.86 2dmi s ARG 64 Ca 0.64 -0.44 -0.08 0.00 -1.00 0.00 0.00 55.73 54.84 2dmi s ARG 64 Cb -0.06 -3.00 0.13 0.00 0.00 0.00 0.00 34.95 32.02 2dmi s ARG 64 CO 0.49 0.63 0.29 1.63 0.00 0.00 0.00 175.30 178.34 2dmi n LYS 65 N 0.60 -1.24 -4.72 5.12 5.02 -1.26 -5.04 118.16 116.64 2dmi n LYS 65 Ca -0.08 -0.49 -0.32 0.00 -2.02 0.00 0.00 58.31 55.40 2dmi n LYS 65 Cb 0.52 -0.90 -0.08 0.00 -0.02 0.00 0.00 35.03 34.54 2dmi n LYS 65 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2dmi s ARG 66 N -2.91 2.14 0.32 1.97 1.70 -1.26 -5.09 118.95 115.82 2dmi s ARG 66 Ca 0.23 -2.35 -0.19 0.00 -0.47 0.00 0.00 55.73 52.95 2dmi s ARG 66 Cb -0.04 -1.47 -0.13 0.00 -0.57 0.00 0.00 34.95 32.74 2dmi s ARG 66 CO 0.19 -0.33 0.12 0.43 -1.08 0.00 0.00 175.30 174.63 2dmi n SER 67 N -1.23 -2.26 -1.80 -2.89 7.64 -1.26 -4.85 113.62 106.98 2dmi n SER 67 Ca -0.16 0.72 -0.17 0.00 1.01 0.00 0.00 58.87 60.27 2dmi n SER 67 Cb 0.67 -0.75 0.18 0.00 -1.01 0.00 0.00 64.21 63.30 2dmi n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dmi n LEU 68 N 1.94 5.69 -4.57 -3.43 -0.00 -1.26 -5.02 117.00 110.34 2dmi n LEU 68 Ca 0.10 -3.74 -0.55 0.00 -0.00 0.00 0.00 56.01 51.82 2dmi n LEU 68 Cb 0.32 -0.76 -0.07 0.00 -0.00 0.00 0.00 43.42 42.92 2dmi n LEU 68 CO 0.46 1.18 0.83 -0.11 -0.00 0.00 0.00 177.39 179.75 2dmi n LEU 69 N -1.12 1.11 -4.68 1.47 0.00 -1.26 -4.91 117.00 107.60 2dmi n LEU 69 Ca 0.49 1.13 -0.38 0.00 0.00 0.00 0.00 56.01 57.26 2dmi n LEU 69 Cb 1.36 -1.08 -0.07 0.00 0.00 0.00 0.00 43.42 43.63 2dmi n LEU 69 CO 0.44 -1.29 0.07 -1.83 0.00 0.00 0.00 177.39 174.78 2dmi s GLU 70 N 0.61 4.19 -0.25 1.96 -1.05 -1.26 -5.06 118.70 117.84 2dmi s GLU 70 Ca 0.88 0.17 -0.14 0.00 -0.15 0.00 0.00 54.97 55.74 2dmi s GLU 70 Cb -1.09 -3.52 -0.04 0.00 -0.44 0.00 0.00 34.13 29.04 2dmi s GLU 70 CO 0.53 0.01 0.31 -1.64 0.95 0.00 0.00 175.26 175.42 2dmi s MET 71 N 1.15 4.06 0.25 -4.83 -1.94 -1.26 -5.08 119.30 111.64 2dmi s MET 71 Ca 0.18 -0.03 -0.07 0.00 -1.71 0.00 0.00 55.69 54.06 2dmi s MET 71 Cb -0.14 -3.60 -0.06 0.00 2.01 0.00 0.00 34.83 33.03 2dmi s MET 71 CO 0.07 -0.14 0.53 -1.83 -0.01 0.00 0.00 175.02 173.64 2dmi s GLU 72 N 1.65 3.70 0.00 2.03 1.03 -1.26 -5.08 118.70 120.76 2dmi s GLU 72 Ca 0.13 0.10 0.00 0.00 0.03 0.00 0.00 54.97 55.23 2dmi s GLU 72 Cb -0.15 -2.67 0.00 0.00 -0.80 0.00 0.00 34.13 30.51 2dmi s GLU 72 CO 0.09 0.28 0.00 0.41 -1.33 0.00 0.00 175.26 174.71 2dmi n GLY 73 N -0.50 1.46 3.58 -3.83 0.00 -1.26 -4.94 105.19 99.69 2dmi n GLY 73 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2dmi n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmi s LYS 74 N 3.00 2.25 0.21 1.61 1.02 -1.26 -4.91 119.74 121.67 2dmi s LYS 74 Ca 0.00 -0.98 0.06 0.00 0.02 0.00 0.00 55.97 55.07 2dmi s LYS 74 Cb 0.00 -5.18 -0.04 0.00 -0.52 0.00 0.00 37.83 32.09 2dmi s LYS 74 CO 0.00 -4.24 0.17 -1.83 -0.92 0.00 0.00 175.35 168.53 2dmi s GLU 75 N 6.87 2.92 0.27 1.68 4.04 -1.26 -5.13 118.70 128.09 2dmi s GLU 75 Ca 0.71 -0.96 -0.21 0.00 0.04 0.00 0.00 54.97 54.54 2dmi s GLU 75 Cb -0.02 -2.61 0.02 0.00 0.02 0.00 0.00 34.13 31.55 2dmi s GLU 75 CO 0.13 0.44 0.73 -0.51 -1.84 0.00 0.00 175.26 174.21 2dmi s ASP 76 N -3.49 -0.26 -0.08 0.83 1.01 -1.26 -5.03 116.67 108.38 2dmi s ASP 76 Ca 0.32 -0.58 -0.04 0.00 0.71 0.00 0.00 52.55 52.96 2dmi s ASP 76 Cb -0.09 0.72 -0.11 0.00 1.01 0.00 0.00 42.92 44.45 2dmi s ASP 76 CO 0.24 -1.32 2.90 0.00 0.21 0.00 0.00 175.17 177.20 2dmi n ALA 77 N -0.46 5.57 -2.52 5.23 0.00 -1.26 -4.87 120.51 122.20 2dmi n ALA 77 Ca -0.04 -1.41 -0.24 0.00 0.00 0.00 0.00 53.44 51.74 2dmi n ALA 77 Cb 0.59 -1.82 -0.07 0.00 0.00 0.00 0.00 19.45 18.15 2dmi n ALA 77 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2dmi s GLN 78 N 0.13 2.23 -0.10 0.00 -1.52 -1.26 -5.05 119.66 114.08 2dmi s GLN 78 Ca 0.43 -1.66 0.15 0.00 -1.95 0.00 0.00 55.36 52.33 2dmi s GLN 78 Cb 0.23 -2.05 0.32 0.00 -0.22 0.00 0.00 33.01 31.29 2dmi s GLN 78 CO -0.03 0.11 1.15 1.17 -0.25 0.00 0.00 175.29 177.45 2dmi n LYS 79 N -1.06 0.85 -3.62 2.91 4.81 -1.26 -5.05 118.16 115.74 2dmi n LYS 79 Ca -0.04 -2.42 -0.08 0.00 -0.87 0.00 0.00 58.31 54.91 2dmi n LYS 79 Cb 0.62 -0.99 -0.06 0.00 0.02 0.00 0.00 35.03 34.62 2dmi n LYS 79 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2dmi s VAL 80 N -1.78 0.00 0.18 3.15 0.11 -1.26 -5.14 120.40 115.66 2dmi s VAL 80 Ca 0.29 0.00 -0.33 0.00 -2.93 0.00 0.00 61.98 59.02 2dmi s VAL 80 Cb 0.29 -1.00 -0.15 0.00 -1.53 0.00 0.00 36.38 33.99 2dmi s VAL 80 CO -0.06 0.00 1.21 0.18 -3.33 0.00 0.00 175.10 173.10 2dmi n LEU 81 N 1.26 1.81 -3.86 2.54 4.77 -1.26 -4.83 117.00 117.44 2dmi n LEU 81 Ca -0.09 1.14 -0.17 0.00 -0.03 0.00 0.00 56.01 56.86 2dmi n LEU 81 Cb 0.57 -1.25 -0.16 0.00 -2.33 0.00 0.00 43.42 40.25 2dmi n LEU 81 CO 0.08 -1.15 -0.38 -0.75 -1.33 0.00 0.00 177.39 173.87 2dmi s LYS 82 N -0.34 0.35 0.14 3.23 2.47 -1.26 -1.83 119.74 122.50 2dmi s LYS 82 Ca 0.73 -0.00 -0.34 0.00 -1.56 0.00 0.00 55.97 54.79 2dmi s LYS 82 Cb -0.82 -0.46 -0.14 0.00 -1.46 0.00 0.00 37.83 34.96 2dmi s LYS 82 CO 0.51 -0.07 1.60 0.00 0.16 0.00 0.00 175.35 177.56 2dmi n MET 84 N 3.69 0.73 0.06 0.00 2.81 -1.26 -0.07 117.12 123.08 2dmi n MET 84 Ca 0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 2dmi n MET 84 Cb 0.29 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 2dmi n MET 84 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 2dmi n TYR 85 N -0.63 -0.44 -0.81 2.03 9.36 -1.26 -4.83 117.16 120.58 2dmi n TYR 85 Ca 0.05 0.08 0.08 0.00 3.32 0.00 0.00 57.90 61.42 2dmi n TYR 85 Cb 0.02 0.11 0.27 0.00 -0.63 0.00 0.00 39.34 39.11 2dmi n TYR 85 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2dmi n GLY 87 N -0.05 -0.77 3.44 0.00 0.00 0.90 -4.81 105.19 103.92 2dmi n GLY 87 Ca 0.21 0.35 -0.36 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.76 3.08 0.50 1.61 5.04 -1.26 -4.62 115.29 116.88 2dmi s HIS 88 Ca 0.03 -0.44 -0.23 0.00 -1.54 0.00 0.00 55.06 52.88 2dmi s HIS 88 Cb -0.02 -2.21 -0.06 0.00 0.04 0.00 0.00 32.58 30.33 2dmi s HIS 88 CO 0.55 -0.34 1.36 -1.54 -2.34 0.00 0.00 174.74 172.43 2dmi s SER 89 N 1.49 5.60 0.26 9.88 1.04 -1.26 -2.65 113.70 128.06 2dmi s SER 89 Ca 0.06 2.77 0.01 0.00 0.48 0.00 0.00 55.95 59.27 2dmi s SER 89 Cb -0.15 -2.64 -0.04 0.00 0.10 0.00 0.00 66.02 63.29 2dmi s SER 89 CO 0.03 -1.35 0.14 -0.36 0.98 0.00 0.00 173.24 172.68 2dmi s PHE 90 N -1.29 1.43 -0.26 5.02 0.08 -0.76 -4.98 117.98 117.22 2dmi s PHE 90 Ca 0.67 -1.35 -0.10 0.00 0.12 0.00 0.00 56.93 56.27 2dmi s PHE 90 Cb -0.40 -0.75 -0.14 0.00 -0.57 0.00 0.00 43.02 41.15 2dmi s PHE 90 CO 0.50 -0.54 -0.25 0.39 -0.10 0.00 0.00 175.22 175.21 2dmi n GLU 91 N -0.44 0.61 -4.35 0.44 1.02 -1.26 -4.38 120.64 112.29 2dmi n GLU 91 Ca 0.02 0.26 -0.18 0.00 -0.02 0.00 0.00 57.16 57.24 2dmi n GLU 91 Cb 0.65 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 30.44 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 -7.18 1.92 0.08 1.62 0.01 -1.26 -4.93 113.70 103.96 2dmi s SER 92 Ca -0.37 -1.24 -0.36 0.00 1.31 0.00 0.00 55.95 55.29 2dmi s SER 92 Cb 0.12 -0.01 -0.18 0.00 0.21 0.00 0.00 66.02 66.17 2dmi s SER 92 CO 0.54 -0.52 1.58 0.25 0.41 0.00 0.00 173.24 175.49 2dmi h LEU 93 N 2.41 -1.19 -0.89 2.44 7.12 -2.00 -2.71 115.31 120.50 2dmi h LEU 93 Ca -0.39 0.07 0.22 0.00 0.13 0.00 0.00 57.88 57.91 2dmi h LEU 93 Cb 1.23 0.36 -0.17 0.00 -0.53 0.00 0.00 40.66 41.55 2dmi h LEU 93 CO 0.65 -0.69 -0.08 1.67 -0.13 0.00 0.00 178.44 179.86 2dmi n GLN 94 N -5.59 -0.07 -0.36 1.25 -0.06 -1.26 0.22 117.38 111.51 2dmi n GLN 94 Ca -0.14 1.35 0.04 0.00 -2.00 0.00 0.00 57.00 56.26 2dmi n GLN 94 Cb 0.47 -2.10 0.20 0.00 -4.06 0.00 0.00 30.24 24.76 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 0.99 0.08 1.69 3.32 -1.91 0.50 116.42 121.09 2dmi h ASP 95 Ca 0.49 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.56 2dmi h ASP 95 Cb 0.92 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2dmi h ASP 95 CO -0.87 0.61 -0.04 0.25 -1.72 0.00 0.00 179.24 177.48 2dmi h LEU 96 N 1.11 -0.09 -1.21 1.55 7.12 0.28 -1.45 115.31 122.63 2dmi h LEU 96 Ca 0.44 -0.48 0.12 0.00 0.13 0.00 0.00 57.88 58.09 2dmi h LEU 96 Cb 0.25 0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 40.33 2dmi h LEU 96 CO -0.19 0.47 0.58 -1.28 -0.13 0.00 0.00 178.44 177.90 2dmi h SER 97 N -0.69 0.75 0.17 1.25 0.87 -0.64 -2.68 113.55 112.57 2dmi h SER 97 Ca -0.01 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2dmi h SER 97 Cb 0.56 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2dmi h SER 97 CO 0.02 0.41 -0.08 0.58 -0.53 0.00 0.00 176.83 177.23 2dmi h VAL 98 N 0.81 0.00 -0.59 2.23 2.07 -0.92 -3.27 116.25 116.58 2dmi h VAL 98 Ca 0.44 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.79 2dmi h VAL 98 Cb 0.57 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.25 2dmi h VAL 98 CO -0.21 0.00 -0.29 1.57 0.02 0.00 0.00 177.57 178.67 2dmi n HIS 99 N -3.27 -0.12 -0.13 1.57 -0.00 -0.55 0.01 115.22 112.73 2dmi n HIS 99 Ca -0.03 0.73 -0.06 0.00 -0.00 0.00 0.00 57.72 58.35 2dmi n HIS 99 Cb 0.09 -0.63 -0.05 0.00 -0.00 0.00 0.00 29.99 29.39 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 -0.12 -0.93 1.57 2.86 -1.60 0.43 114.93 117.14 2dmi h MET 100 Ca 0.15 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 2dmi h MET 100 Cb 0.30 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 2dmi h MET 100 CO -0.57 -0.08 0.60 0.82 1.06 0.00 0.00 176.91 178.74 2dmi h ILE 101 N -0.12 1.13 -0.61 -1.22 2.04 -0.54 1.72 117.51 119.90 2dmi h ILE 101 Ca 0.05 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.59 2dmi h ILE 101 Cb 0.27 -0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.20 2dmi h ILE 101 CO -0.37 0.21 0.41 0.11 0.00 0.00 0.00 178.15 178.50 2dmi h LYS 102 N 1.14 0.57 -0.29 2.37 1.79 0.13 -1.75 116.57 120.53 2dmi h LYS 102 Ca 0.38 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 2dmi h LYS 102 Cb 0.05 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 2dmi h LYS 102 CO -0.14 0.38 0.00 0.25 -1.08 0.00 0.00 179.45 178.86 2dmi n THR 103 N -4.48 0.96 -4.05 -0.16 -2.24 0.13 -4.98 114.28 99.47 2dmi n THR 103 Ca 0.09 -0.98 -0.31 0.00 -2.27 0.00 0.00 64.05 60.58 2dmi n THR 103 Cb 0.25 0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 68.99 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 0.39 -3.80 0.07 -0.78 5.02 0.55 -4.85 118.16 114.77 2dmi n LYS 104 Ca 0.10 0.44 -0.02 0.00 -2.02 0.00 0.00 58.31 56.81 2dmi n LYS 104 Cb 0.40 -5.01 -0.06 0.00 -0.02 0.00 0.00 35.03 30.34 2dmi n LYS 104 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2dmi h HIS 105 N -1.75 0.00 -0.51 2.13 3.86 -0.84 -3.32 115.15 114.72 2dmi h HIS 105 Ca -0.60 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.51 2dmi h HIS 105 Cb 1.38 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.83 2dmi h HIS 105 CO 0.57 0.70 -0.06 0.10 0.86 0.00 0.00 177.93 180.10 2dmi h TYR 106 N 0.00 0.99 -1.90 2.45 -0.00 -1.89 -3.12 116.97 113.49 2dmi h TYR 106 Ca -0.08 -0.17 -0.74 0.00 0.00 0.00 0.00 58.73 57.74 2dmi h TYR 106 Cb 1.60 -0.26 -0.25 0.00 0.00 0.00 0.00 36.73 37.82 2dmi h TYR 106 CO 0.00 0.92 1.02 0.94 -0.00 0.00 0.00 178.16 181.04 2dmi n GLN 107 N -4.17 3.23 0.00 0.10 -0.06 -1.25 -4.31 117.38 110.92 2dmi n GLN 107 Ca 0.02 -3.57 0.00 0.00 -2.00 0.00 0.00 57.00 51.45 2dmi n GLN 107 Cb 0.36 -2.30 0.00 0.00 -4.06 0.00 0.00 30.24 24.24 2dmi n GLN 107 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2dmi n LYS 108 N -0.22 0.00 -1.16 3.69 5.02 -1.18 -4.85 118.16 119.46 2dmi n LYS 108 Ca 0.52 0.00 -0.53 0.00 -2.02 0.00 0.00 58.31 56.29 2dmi n LYS 108 Cb 0.28 -0.51 -0.10 0.00 -0.02 0.00 0.00 35.03 34.67 2dmi n LYS 108 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2dmi n VAL 109 N -2.37 0.00 -4.22 -0.18 0.24 -1.26 0.13 118.33 110.67 2dmi n VAL 109 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.97 2dmi n VAL 109 Cb 0.25 -0.43 -0.05 0.00 -1.47 0.00 0.00 33.84 32.15 2dmi n VAL 109 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2dmi n SER 110 N 5.77 -1.28 -4.07 -1.34 3.41 -1.26 -4.94 113.62 109.91 2dmi n SER 110 Ca 0.43 -1.11 -0.28 0.00 -0.26 0.00 0.00 58.87 57.65 2dmi n SER 110 Cb -0.04 -2.39 -0.17 0.00 -0.26 0.00 0.00 64.21 61.35 2dmi n SER 110 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dmi s GLY 111 N -3.83 1.02 0.96 5.00 0.00 0.35 -5.14 107.32 105.68 2dmi s GLY 111 Ca 0.39 -0.68 -0.12 0.00 0.00 0.00 0.00 44.72 44.30 2dmi s GLY 111 CO 0.95 0.11 1.09 2.56 0.00 0.00 0.00 173.10 177.81 2dmi s PRO 112 N 0.79 0.73 -0.21 2.90 0.04 -1.26 -4.85 135.00 133.15 2dmi s PRO 112 Ca -0.11 0.62 -0.09 0.00 0.04 0.00 0.00 61.00 61.47 2dmi s PRO 112 Cb -0.16 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 2dmi s PRO 112 CO 0.02 -2.55 -0.26 0.45 0.04 0.00 0.00 177.00 174.69 2dmi n SER 113 N -4.07 1.57 -4.54 6.66 2.88 -1.26 -5.01 113.62 109.84 2dmi n SER 113 Ca 0.06 0.21 -0.36 0.00 -1.33 0.00 0.00 58.87 57.46 2dmi n SER 113 Cb 0.56 -0.58 0.08 0.00 -0.75 0.00 0.00 64.21 63.53 2dmi n SER 113 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dmi n SER 114 N -3.84 -0.39 0.00 -3.46 7.64 -1.26 -5.29 113.62 107.03 2dmi n SER 114 Ca -0.40 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2dmi n SER 114 Cb 0.80 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 2dmi n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64