#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 0.33 0.00 1.61 0.15 -1.26 -5.09 113.70 109.44 2dmi s SER 2 Ca 0.00 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.44 2dmi s SER 2 Cb 0.00 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 2dmi s SER 2 CO 0.00 -1.43 0.00 -1.20 1.20 0.00 0.00 173.24 171.81 2dmi n SER 3 N -1.19 1.16 -2.03 5.45 7.64 -1.26 -5.11 113.62 118.27 2dmi n SER 3 Ca -0.03 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.82 2dmi n SER 3 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2dmi n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmi n GLY 4 N 2.86 -1.40 3.25 0.23 0.00 -1.26 -5.01 105.19 103.85 2dmi n GLY 4 Ca 0.00 0.37 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.47 5.57 -0.29 1.61 0.15 -1.26 -5.02 113.70 112.99 2dmi s SER 5 Ca 0.08 -1.55 -0.05 0.00 0.70 0.00 0.00 55.95 55.13 2dmi s SER 5 Cb -0.02 -1.96 0.15 0.00 -1.71 0.00 0.00 66.02 62.48 2dmi s SER 5 CO 0.31 -0.53 0.59 -0.44 1.20 0.00 0.00 173.24 174.37 2dmi s SER 6 N 2.07 -1.08 -0.17 5.45 0.01 -1.26 -5.15 113.70 113.57 2dmi s SER 6 Ca 0.03 1.14 -0.06 0.00 1.31 0.00 0.00 55.95 58.37 2dmi s SER 6 Cb -0.23 2.09 0.08 0.00 0.21 0.00 0.00 66.02 68.16 2dmi s SER 6 CO 0.01 -0.24 0.36 -0.83 0.41 0.00 0.00 173.24 172.95 2dmi s GLY 7 N 2.83 -0.27 -0.21 3.44 0.00 -1.26 -5.13 107.32 106.73 2dmi s GLY 7 Ca 0.07 1.29 -0.04 0.00 0.00 0.00 0.00 44.72 46.04 2dmi s GLY 7 CO -0.19 2.18 0.33 1.25 0.00 0.00 0.00 173.10 176.67 2dmi s LYS 8 N 2.43 0.28 0.36 2.90 2.47 -1.26 -5.14 119.74 121.78 2dmi s LYS 8 Ca -0.01 0.60 -0.23 0.00 -1.56 0.00 0.00 55.97 54.76 2dmi s LYS 8 Cb -0.12 -0.40 -0.16 0.00 -1.46 0.00 0.00 37.83 35.69 2dmi s LYS 8 CO -0.11 -0.51 0.20 1.47 0.16 0.00 0.00 175.35 176.56 2dmi n LEU 9 N 5.36 -2.41 -4.62 5.43 -0.00 -1.26 -4.79 117.00 114.70 2dmi n LEU 9 Ca -0.05 0.89 -0.43 0.00 -0.00 0.00 0.00 56.01 56.42 2dmi n LEU 9 Cb 0.50 -0.91 -0.02 0.00 -0.00 0.00 0.00 43.42 42.99 2dmi n LEU 9 CO 0.05 -3.88 1.24 -0.31 -0.00 0.00 0.00 177.39 174.48 2dmi s TYR 10 N -1.51 2.43 0.00 1.47 1.51 -1.26 -4.90 117.35 115.09 2dmi s TYR 10 Ca 0.60 0.73 0.00 0.00 -1.01 0.00 0.00 57.07 57.39 2dmi s TYR 10 Cb -0.71 -3.99 0.00 0.00 -0.11 0.00 0.00 41.96 37.15 2dmi s TYR 10 CO 0.61 -2.18 0.00 0.41 -1.11 0.00 0.00 175.55 173.28 2dmi n GLY 11 N 4.56 3.94 3.72 0.71 0.00 -1.26 -4.99 105.19 111.87 2dmi n GLY 11 Ca 0.17 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 2dmi n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmi n SER 12 N 0.00 -3.42 -4.71 1.61 7.64 -1.26 -4.97 113.62 108.51 2dmi n SER 12 Ca 0.00 -0.73 -0.35 0.00 1.01 0.00 0.00 58.87 58.80 2dmi n SER 12 Cb 0.00 -4.32 -0.09 0.00 -1.01 0.00 0.00 64.21 58.79 2dmi n SER 12 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2dmi s ILE 13 N -3.44 4.99 -0.19 0.44 -4.36 -1.26 -5.06 121.20 112.31 2dmi s ILE 13 Ca 0.33 0.03 -0.29 0.00 -0.26 0.00 0.00 60.65 60.45 2dmi s ILE 13 Cb -0.16 -3.22 -0.02 0.00 1.25 0.00 0.00 42.46 40.31 2dmi s ILE 13 CO 0.79 0.51 1.35 0.12 0.24 0.00 0.00 174.94 177.94 2dmi s PHE 14 N -0.06 2.65 -0.06 1.37 5.36 -1.26 -5.00 117.98 120.98 2dmi s PHE 14 Ca 0.08 0.84 -0.01 0.00 -0.96 0.00 0.00 56.93 56.88 2dmi s PHE 14 Cb -0.12 -3.68 0.03 0.00 -0.34 0.00 0.00 43.02 38.90 2dmi s PHE 14 CO 0.01 -2.05 0.01 0.95 -1.46 0.00 0.00 175.22 172.67 2dmi s THR 15 N 3.92 0.29 0.00 0.12 -4.23 -1.26 -4.98 115.64 109.50 2dmi s THR 15 Ca 0.59 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 61.25 2dmi s THR 15 Cb -0.22 -0.45 0.00 0.00 1.34 0.00 0.00 72.50 73.17 2dmi s THR 15 CO 0.19 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 2dmi n GLY 16 N 4.98 0.45 3.93 3.99 0.00 -1.26 -5.16 105.19 112.13 2dmi n GLY 16 Ca -0.10 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 2.52 -0.35 4.61 0.00 -1.26 -5.06 121.76 122.23 2dmi s ALA 17 Ca 0.00 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.88 2dmi s ALA 17 Cb 0.00 -2.73 0.10 0.00 0.00 0.00 0.00 23.12 20.49 2dmi s ALA 17 CO 0.00 -2.11 0.06 -1.54 0.00 0.00 0.00 175.76 172.16 2dmi s SER 18 N -4.79 4.76 -0.14 0.00 1.04 -1.26 -4.56 113.70 108.75 2dmi s SER 18 Ca 0.70 -2.18 -0.09 0.00 0.48 0.00 0.00 55.95 54.86 2dmi s SER 18 Cb -0.06 -1.63 -0.04 0.00 0.10 0.00 0.00 66.02 64.39 2dmi s SER 18 CO 0.51 -0.38 -0.09 0.11 0.98 0.00 0.00 173.24 174.37 2dmi h LYS 19 N 7.58 0.00 -6.11 4.02 1.79 -1.75 -3.48 116.57 118.62 2dmi h LYS 19 Ca -0.04 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.88 2dmi h LYS 19 Cb 1.02 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.63 2dmi h LYS 19 CO 0.53 0.11 -0.50 -0.06 -1.08 0.00 0.00 179.45 178.44 2dmi s PHE 20 N -2.11 3.36 -0.03 -1.35 0.40 -0.40 -5.02 117.98 112.81 2dmi s PHE 20 Ca -0.13 0.06 -0.04 0.00 -0.60 0.00 0.00 56.93 56.22 2dmi s PHE 20 Cb 0.02 -1.61 0.01 0.00 0.51 0.00 0.00 43.02 41.95 2dmi s PHE 20 CO 0.22 0.52 0.10 1.03 0.70 0.00 0.00 175.22 177.79 2dmi s ARG 21 N -3.20 0.16 0.02 0.44 0.52 -1.26 -2.00 118.95 113.63 2dmi s ARG 21 Ca 0.33 0.07 -0.30 0.00 -0.52 0.00 0.00 55.73 55.32 2dmi s ARG 21 Cb -0.11 0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.40 2dmi s ARG 21 CO 0.27 -0.02 1.01 0.00 0.02 0.00 0.00 175.30 176.57 2dmi n LYS 23 N 3.78 2.82 0.03 0.00 2.85 -0.42 -4.24 118.16 122.99 2dmi n LYS 23 Ca 0.06 -1.99 0.00 0.00 -1.05 0.00 0.00 58.31 55.33 2dmi n LYS 23 Cb 0.50 -1.90 0.00 0.00 -0.65 0.00 0.00 35.03 32.98 2dmi n LYS 23 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2dmi n ASP 24 N 0.01 0.26 -4.56 -5.58 -0.08 -1.26 -4.87 116.55 100.47 2dmi n ASP 24 Ca 0.26 0.10 -0.25 0.00 -1.51 0.00 0.00 54.79 53.39 2dmi n ASP 24 Cb 1.02 -0.03 -0.01 0.00 2.34 0.00 0.00 41.12 44.44 2dmi n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dmi n SER 26 N -1.75 5.53 -4.49 0.00 7.64 -1.26 -4.67 113.62 114.63 2dmi n SER 26 Ca -0.05 -3.09 -0.28 0.00 1.01 0.00 0.00 58.87 56.46 2dmi n SER 26 Cb 0.57 -0.92 -0.11 0.00 -1.01 0.00 0.00 64.21 62.74 2dmi n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dmi s ALA 27 N -2.06 2.70 0.23 -0.43 0.00 -1.26 -5.07 121.76 115.86 2dmi s ALA 27 Ca 0.35 -1.46 -0.05 0.00 0.00 0.00 0.00 51.96 50.80 2dmi s ALA 27 Cb 0.28 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2dmi s ALA 27 CO 0.02 0.52 0.28 0.00 0.00 0.00 0.00 175.76 176.57 2dmi s ALA 28 N -1.41 0.64 0.27 0.00 0.00 -1.26 -1.99 121.76 118.01 2dmi s ALA 28 Ca 0.20 -1.40 -0.07 0.00 0.00 0.00 0.00 51.96 50.69 2dmi s ALA 28 Cb -0.09 1.26 -0.01 0.00 0.00 0.00 0.00 23.12 24.28 2dmi s ALA 28 CO 0.11 -0.70 0.40 0.71 0.00 0.00 0.00 175.76 176.29 2dmi s TYR 29 N -4.05 0.75 -0.24 0.00 2.02 -0.85 -4.97 117.35 110.01 2dmi s TYR 29 Ca 0.33 -1.04 -0.03 0.00 -0.37 0.00 0.00 57.07 55.96 2dmi s TYR 29 Cb 0.04 -0.05 -0.18 0.00 -0.40 0.00 0.00 41.96 41.37 2dmi s TYR 29 CO 0.12 -0.96 -0.14 -0.40 -1.57 0.00 0.00 175.55 172.59 2dmi n ASP 30 N -0.67 2.00 -4.59 2.29 5.75 -1.26 -1.28 116.55 118.78 2dmi n ASP 30 Ca -0.00 0.02 -0.34 0.00 -0.01 0.00 0.00 54.79 54.46 2dmi n ASP 30 Cb 0.63 -0.57 -0.11 0.00 -1.03 0.00 0.00 41.12 40.04 2dmi n ASP 30 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2dmi s THR 31 N -2.52 4.20 0.12 2.12 -4.23 -1.26 -4.20 115.64 109.87 2dmi s THR 31 Ca -0.33 -0.26 -0.29 0.00 -1.18 0.00 0.00 61.69 59.62 2dmi s THR 31 Cb 0.10 -2.82 -0.08 0.00 1.34 0.00 0.00 72.50 71.04 2dmi s THR 31 CO 0.61 0.53 1.61 0.25 -0.54 0.00 0.00 174.62 177.08 2dmi h LEU 32 N 6.07 -1.01 -0.95 4.79 7.12 -1.99 -0.04 115.31 129.30 2dmi h LEU 32 Ca -0.40 0.12 0.23 0.00 0.13 0.00 0.00 57.88 57.95 2dmi h LEU 32 Cb 1.19 0.39 -0.03 0.00 -0.53 0.00 0.00 40.66 41.67 2dmi h LEU 32 CO 0.61 -0.42 1.10 1.62 -0.13 0.00 0.00 178.44 181.22 2dmi h VAL 33 N -0.56 0.03 0.03 1.05 3.04 -1.99 2.27 116.25 120.11 2dmi h VAL 33 Ca 0.04 0.00 -0.31 0.00 -1.01 0.00 0.00 66.70 65.41 2dmi h VAL 33 Cb 0.60 0.07 -0.04 0.00 -2.01 0.00 0.00 31.29 29.90 2dmi h VAL 33 CO -0.22 0.00 -1.83 -0.62 -1.01 0.00 0.00 177.57 173.89 2dmi n GLU 34 N -3.14 0.66 -0.04 4.17 1.02 -0.08 -3.89 120.64 119.35 2dmi n GLU 34 Ca 0.17 0.27 -0.14 0.00 -0.02 0.00 0.00 57.16 57.44 2dmi n GLU 34 Cb 1.34 -1.75 -0.12 0.00 -0.02 0.00 0.00 31.44 30.89 2dmi n GLU 34 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2dmi h LEU 35 N 0.02 0.10 -0.01 -4.62 5.85 0.42 -3.34 115.31 113.72 2dmi h LEU 35 Ca -0.34 -0.83 0.01 0.00 0.84 0.00 0.00 57.88 57.57 2dmi h LEU 35 Cb 2.03 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.99 2dmi h LEU 35 CO 0.08 0.91 -0.35 0.00 -0.34 0.00 0.00 178.44 178.73 2dmi h THR 36 N -0.70 0.00 -1.57 1.05 1.03 -0.83 0.17 112.91 112.05 2dmi h THR 36 Ca -0.02 0.00 0.48 0.00 -0.01 0.00 0.00 66.41 66.86 2dmi h THR 36 Cb 0.94 0.00 -0.08 0.00 -1.07 0.00 0.00 68.15 67.93 2dmi h THR 36 CO 0.02 0.00 1.11 0.55 -0.01 0.00 0.00 175.52 177.19 2dmi n VAL 37 N -4.44 -0.06 0.05 0.00 3.14 -1.25 0.21 118.33 115.97 2dmi n VAL 37 Ca -0.05 1.37 -0.22 0.00 -2.96 0.00 0.00 64.34 62.48 2dmi n VAL 37 Cb 0.26 -2.28 -0.15 0.00 -1.06 0.00 0.00 33.84 30.62 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 0.63 0.16 1.45 -0.00 -1.10 -3.08 115.15 113.20 2dmi h HIS 38 Ca 0.80 -0.46 -0.01 0.00 -0.00 0.00 0.00 60.37 60.71 2dmi h HIS 38 Cb 3.06 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 30.44 2dmi h HIS 38 CO -0.00 1.72 -0.08 0.52 -0.00 0.00 0.00 177.93 180.09 2dmi h MET 39 N 0.08 -0.21 0.00 5.26 2.86 0.52 0.22 114.93 123.66 2dmi h MET 39 Ca -0.37 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.25 2dmi h MET 39 Cb 2.07 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 33.77 2dmi h MET 39 CO 0.14 0.12 -0.14 -0.91 1.06 0.00 0.00 176.91 177.18 2dmi h ASN 40 N -0.55 0.00 0.00 1.22 2.35 -0.38 0.42 115.58 118.64 2dmi h ASN 40 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2dmi h ASN 40 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2dmi h ASN 40 CO 0.04 0.14 0.00 -0.62 -1.65 0.00 0.00 177.43 175.34 2dmi n GLU 41 N -4.07 0.00 0.00 0.81 -0.58 -1.14 -3.86 120.64 111.80 2dmi n GLU 41 Ca -0.02 0.42 0.05 0.00 -0.42 0.00 0.00 57.16 57.18 2dmi n GLU 41 Cb 0.22 -0.99 0.25 0.00 -0.57 0.00 0.00 31.44 30.36 2dmi n GLU 41 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2dmi n THR 42 N -1.76 0.55 0.00 2.62 -2.24 0.05 -4.80 114.28 108.69 2dmi n THR 42 Ca 0.00 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 2dmi n THR 42 Cb 0.00 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 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 -0.46 2.92 2.67 3.38 0.00 0.12 -5.03 105.19 108.79 2dmi n GLY 43 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 -2.85 -3.62 1.61 8.25 0.24 -4.77 115.22 112.07 2dmi n HIS 44 Ca 0.00 -0.33 -0.07 0.00 -0.26 0.00 0.00 57.72 57.06 2dmi n HIS 44 Cb 0.00 -1.13 0.01 0.00 1.12 0.00 0.00 29.99 29.99 2dmi n HIS 44 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2dmi n TYR 45 N -4.72 -1.66 -4.07 4.41 9.36 -1.26 -4.05 117.16 115.16 2dmi n TYR 45 Ca 0.09 -1.30 -0.24 0.00 3.32 0.00 0.00 57.90 59.77 2dmi n TYR 45 Cb 0.37 0.53 -0.04 0.00 -0.63 0.00 0.00 39.34 39.57 2dmi n TYR 45 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 2dmi s ARG 46 N -2.19 3.04 -1.14 2.98 1.70 -1.26 -1.30 118.95 120.78 2dmi s ARG 46 Ca 0.13 -0.91 -0.08 0.00 -0.47 0.00 0.00 55.73 54.40 2dmi s ARG 46 Cb -0.02 -2.68 0.26 0.00 -0.57 0.00 0.00 34.95 31.94 2dmi s ARG 46 CO 0.09 0.44 1.39 -3.47 -1.08 0.00 0.00 175.30 172.68 2dmi n ASP 47 N -0.88 5.78 -4.77 -2.89 2.03 -1.26 -4.75 116.55 109.81 2dmi n ASP 47 Ca -0.08 -3.18 -0.31 0.00 0.52 0.00 0.00 54.79 51.74 2dmi n ASP 47 Cb 0.56 -1.38 0.09 0.00 -0.72 0.00 0.00 41.12 39.68 2dmi n ASP 47 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2dmi s ASP 48 N 0.29 4.45 -0.26 1.67 1.01 -1.26 -4.99 116.67 117.58 2dmi s ASP 48 Ca 0.34 1.69 -0.25 0.00 0.71 0.00 0.00 52.55 55.04 2dmi s ASP 48 Cb -0.01 -2.42 -0.00 0.00 1.01 0.00 0.00 42.92 41.50 2dmi s ASP 48 CO 0.01 -2.05 0.86 0.21 0.21 0.00 0.00 175.17 174.41 2dmi s ASN 49 N -3.50 6.82 -0.67 0.27 3.84 -1.26 -4.94 114.94 115.50 2dmi s ASN 49 Ca 0.61 0.98 -0.02 0.00 0.21 0.00 0.00 52.86 54.64 2dmi s ASN 49 Cb -0.17 -2.45 0.41 0.00 -0.55 0.00 0.00 41.25 38.50 2dmi s ASN 49 CO 0.56 -0.58 2.05 1.41 -2.79 0.00 0.00 177.10 177.75 2dmi n HIS 50 N 6.14 3.06 -3.87 0.43 8.25 -1.26 -4.84 115.22 123.13 2dmi n HIS 50 Ca 0.06 -2.83 -0.29 0.00 -0.26 0.00 0.00 57.72 54.40 2dmi n HIS 50 Cb 0.47 -1.38 0.03 0.00 1.12 0.00 0.00 29.99 30.23 2dmi n HIS 50 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2dmi n GLU 51 N -0.74 -5.53 -1.71 -0.41 2.13 -1.26 -4.86 120.64 108.25 2dmi n GLU 51 Ca 0.59 0.61 -0.42 0.00 0.66 0.00 0.00 57.16 58.60 2dmi n GLU 51 Cb 0.58 -5.45 -0.03 0.00 0.27 0.00 0.00 31.44 26.81 2dmi n GLU 51 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2dmi s THR 52 N -3.36 2.14 0.15 6.31 -4.23 -1.26 -4.90 115.64 110.49 2dmi s THR 52 Ca 0.56 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.76 2dmi s THR 52 Cb -0.28 -3.00 -0.11 0.00 1.34 0.00 0.00 72.50 70.45 2dmi s THR 52 CO 0.82 0.00 1.78 -1.81 -0.54 0.00 0.00 174.62 174.87 2dmi s ASP 53 N 1.63 6.42 -0.11 3.99 1.11 -1.26 -4.99 116.67 123.47 2dmi s ASP 53 Ca 0.77 2.78 0.02 0.00 0.18 0.00 0.00 52.55 56.30 2dmi s ASP 53 Cb -0.49 -2.58 -0.01 0.00 1.07 0.00 0.00 42.92 40.92 2dmi s ASP 53 CO 0.33 -0.98 -0.19 0.21 1.18 0.00 0.00 175.17 175.72 2dmi s ASN 54 N 2.17 3.52 -0.24 0.27 2.47 -1.26 -5.10 114.94 116.76 2dmi s ASN 54 Ca 0.78 -0.45 0.02 0.00 0.42 0.00 0.00 52.86 53.63 2dmi s ASN 54 Cb -0.47 -1.49 0.06 0.00 -1.45 0.00 0.00 41.25 37.90 2dmi s ASN 54 CO 0.35 0.17 -0.09 0.20 -3.72 0.00 0.00 177.10 174.00 2dmi s ASN 55 N 0.33 4.06 -0.31 -4.21 0.01 -1.26 -5.09 114.94 108.46 2dmi s ASN 55 Ca -0.15 -1.23 -0.07 0.00 -0.71 0.00 0.00 52.86 50.70 2dmi s ASN 55 Cb -0.17 -1.36 0.02 0.00 0.41 0.00 0.00 41.25 40.15 2dmi s ASN 55 CO 0.07 -0.20 0.09 0.20 -1.51 0.00 0.00 177.10 175.75 2dmi s ASN 56 N 1.26 5.19 0.00 -1.22 -0.87 -1.26 -4.95 114.94 113.08 2dmi s ASN 56 Ca -0.07 -0.90 0.15 0.00 -1.57 0.00 0.00 52.86 50.48 2dmi s ASN 56 Cb -0.19 -1.87 0.81 0.00 -0.02 0.00 0.00 41.25 39.98 2dmi s ASN 56 CO -0.06 -0.25 1.39 -0.81 -2.57 0.00 0.00 177.10 174.80 2dmi n PRO 57 N 4.84 0.31 -3.53 -0.60 -0.04 -1.26 -4.58 135.00 130.14 2dmi n PRO 57 Ca -0.14 0.09 -0.40 0.00 -0.04 0.00 0.00 63.50 63.01 2dmi n PRO 57 Cb 0.46 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.32 2dmi n PRO 57 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2dmi s LYS 58 N -2.37 3.47 0.53 0.54 -2.85 -1.26 -5.05 119.74 112.74 2dmi s LYS 58 Ca 0.17 -0.66 -0.18 0.00 -1.00 0.00 0.00 55.97 54.30 2dmi s LYS 58 Cb 0.10 -3.82 -0.15 0.00 -2.06 0.00 0.00 37.83 31.91 2dmi s LYS 58 CO 0.21 -0.46 -0.13 2.89 0.10 0.00 0.00 175.35 177.96 2dmi n ARG 59 N 5.11 0.02 -3.25 1.78 -4.01 -1.26 -4.97 116.66 110.07 2dmi n ARG 59 Ca -0.13 0.01 -0.19 0.00 -1.04 0.00 0.00 57.85 56.50 2dmi n ARG 59 Cb 0.50 -1.02 0.00 0.00 -3.04 0.00 0.00 32.46 28.90 2dmi n ARG 59 CO 0.00 0.00 0.00 1.67 -3.04 0.00 0.00 177.63 176.26 2dmi s TRP 60 N -1.99 2.52 0.52 2.89 -2.14 -1.26 -5.14 118.94 114.34 2dmi s TRP 60 Ca 0.57 -0.50 0.07 0.00 2.66 0.00 0.00 56.10 58.90 2dmi s TRP 60 Cb -0.48 -2.26 0.07 0.00 -3.10 0.00 0.00 33.47 27.70 2dmi s TRP 60 CO 0.66 -0.42 0.61 -1.13 -2.66 0.00 0.00 176.95 174.01 2dmi n SER 61 N -1.80 2.19 -4.67 -2.66 3.41 -1.26 -5.13 113.62 103.71 2dmi n SER 61 Ca 0.07 -2.54 -0.33 0.00 -0.26 0.00 0.00 58.87 55.82 2dmi n SER 61 Cb 0.61 -0.26 -0.09 0.00 -0.26 0.00 0.00 64.21 64.20 2dmi n SER 61 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2dmi s LYS 62 N -4.30 2.76 1.11 4.33 -0.14 -1.26 -5.12 119.74 117.12 2dmi s LYS 62 Ca 0.46 -0.61 -0.19 0.00 -1.36 0.00 0.00 55.97 54.27 2dmi s LYS 62 Cb -0.04 -2.65 0.28 0.00 -1.68 0.00 0.00 37.83 33.74 2dmi s LYS 62 CO 0.29 0.63 0.98 -0.35 -0.76 0.00 0.00 175.35 176.14 2dmi n PRO 63 N 1.49 -2.95 -2.60 -1.68 -0.04 -1.26 -5.07 135.00 122.88 2dmi n PRO 63 Ca -0.15 -1.57 -0.24 0.00 -0.04 0.00 0.00 63.50 61.50 2dmi n PRO 63 Cb 0.53 -1.47 0.13 0.00 -0.04 0.00 0.00 33.50 32.64 2dmi n PRO 63 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dmi s ARG 64 N -5.22 1.47 0.85 0.54 1.81 -1.26 -5.10 118.95 112.03 2dmi s ARG 64 Ca 0.64 -1.25 -0.12 0.00 -1.72 0.00 0.00 55.73 53.28 2dmi s ARG 64 Cb -0.06 -2.31 0.10 0.00 -0.45 0.00 0.00 34.95 32.23 2dmi s ARG 64 CO 0.49 -1.61 1.15 0.15 -0.68 0.00 0.00 175.30 174.79 2dmi s LYS 65 N -5.21 1.66 0.41 3.54 1.02 -1.26 -5.10 119.74 114.80 2dmi s LYS 65 Ca 0.69 0.27 0.04 0.00 0.02 0.00 0.00 55.97 56.98 2dmi s LYS 65 Cb -0.04 -1.90 -0.01 0.00 -0.52 0.00 0.00 37.83 35.36 2dmi s LYS 65 CO 0.46 -1.84 0.14 2.89 -0.92 0.00 0.00 175.35 176.08 2dmi n ARG 66 N -3.51 0.59 -4.34 1.68 1.85 -1.26 -5.17 116.66 106.50 2dmi n ARG 66 Ca 0.07 -3.45 -0.24 0.00 -1.00 0.00 0.00 57.85 53.23 2dmi n ARG 66 Cb 0.59 1.85 -0.08 0.00 -1.05 0.00 0.00 32.46 33.77 2dmi n ARG 66 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2dmi s SER 67 N -3.51 4.25 -0.67 2.89 0.15 -1.26 -5.08 113.70 110.47 2dmi s SER 67 Ca 0.20 -0.82 0.05 0.00 0.70 0.00 0.00 55.95 56.08 2dmi s SER 67 Cb 0.01 -0.64 0.25 0.00 -1.71 0.00 0.00 66.02 63.93 2dmi s SER 67 CO 0.14 -0.06 0.79 0.18 1.20 0.00 0.00 173.24 175.49 2dmi n LEU 68 N -0.86 3.94 -4.26 3.45 7.99 -1.26 -5.09 117.00 120.92 2dmi n LEU 68 Ca -0.05 -5.43 -0.30 0.00 -0.01 0.00 0.00 56.01 50.21 2dmi n LEU 68 Cb 0.60 -0.71 0.29 0.00 -0.11 0.00 0.00 43.42 43.50 2dmi n LEU 68 CO 0.41 2.03 0.37 0.18 -1.51 0.00 0.00 177.39 178.87 2dmi n LEU 69 N 0.88 -0.58 -4.05 2.23 4.32 -1.26 -5.05 117.00 113.49 2dmi n LEU 69 Ca 0.30 -0.76 -0.22 0.00 -0.02 0.00 0.00 56.01 55.31 2dmi n LEU 69 Cb 0.40 -1.05 -0.15 0.00 -1.62 0.00 0.00 43.42 41.00 2dmi n LEU 69 CO 0.43 -4.43 -0.46 -1.61 -1.22 0.00 0.00 177.39 170.11 2dmi s GLU 70 N -4.95 1.13 0.50 3.23 2.02 -1.26 -5.15 118.70 114.22 2dmi s GLU 70 Ca 0.68 -0.40 0.06 0.00 0.02 0.00 0.00 54.97 55.33 2dmi s GLU 70 Cb -0.14 -1.04 0.02 0.00 0.10 0.00 0.00 34.13 33.06 2dmi s GLU 70 CO 0.58 0.18 0.40 -1.64 0.02 0.00 0.00 175.26 174.80 2dmi s MET 71 N 0.04 2.32 0.36 1.61 -1.94 -1.26 -5.15 119.30 115.27 2dmi s MET 71 Ca -0.01 -1.87 0.01 0.00 -1.71 0.00 0.00 55.69 52.12 2dmi s MET 71 Cb -0.08 -2.19 -0.01 0.00 2.01 0.00 0.00 34.83 34.57 2dmi s MET 71 CO 0.01 -0.49 0.05 0.39 -0.01 0.00 0.00 175.02 174.97 2dmi n GLU 72 N -1.70 0.88 0.00 2.03 -0.58 -1.26 -5.15 120.64 114.87 2dmi n GLU 72 Ca 0.01 -2.75 0.00 0.00 -0.42 0.00 0.00 57.16 54.00 2dmi n GLU 72 Cb 0.64 1.07 0.00 0.00 -0.57 0.00 0.00 31.44 32.58 2dmi n GLU 72 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dmi n GLY 73 N 0.16 -1.99 1.90 0.62 0.00 -1.26 -4.82 105.19 99.80 2dmi n GLY 73 Ca -0.11 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 3.19 -2.96 1.61 2.85 -1.26 -4.95 118.16 116.64 2dmi n LYS 74 Ca 0.00 -3.89 -0.15 0.00 -1.05 0.00 0.00 58.31 53.22 2dmi n LYS 74 Cb 0.00 -2.20 -0.04 0.00 -0.65 0.00 0.00 35.03 32.15 2dmi n LYS 74 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2dmi n GLU 75 N -0.81 -0.92 -3.84 -1.58 0.28 -1.26 -4.74 120.64 107.77 2dmi n GLU 75 Ca 0.44 0.05 -0.05 0.00 -0.16 0.00 0.00 57.16 57.45 2dmi n GLU 75 Cb 0.91 -1.70 0.01 0.00 1.43 0.00 0.00 31.44 32.09 2dmi n GLU 75 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2dmi s ASP 76 N -2.65 -0.03 -1.24 -1.84 2.15 -1.26 -5.01 116.67 106.79 2dmi s ASP 76 Ca 0.19 -0.75 -0.03 0.00 0.43 0.00 0.00 52.55 52.39 2dmi s ASP 76 Cb -0.11 0.59 -0.01 0.00 -0.30 0.00 0.00 42.92 43.10 2dmi s ASP 76 CO 0.41 -1.17 0.78 0.00 -0.17 0.00 0.00 175.17 175.03 2dmi n ALA 77 N -0.62 -2.12 -0.04 3.66 0.00 -1.26 -4.93 120.51 115.21 2dmi n ALA 77 Ca -0.05 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 2dmi n ALA 77 Cb 0.60 -2.63 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 2dmi n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dmi n GLN 78 N -4.13 0.20 -2.60 0.00 10.64 -1.26 -4.86 117.38 115.37 2dmi n GLN 78 Ca -0.26 0.09 -0.13 0.00 -1.83 0.00 0.00 57.00 54.87 2dmi n GLN 78 Cb 0.66 -0.85 0.02 0.00 -0.86 0.00 0.00 30.24 29.22 2dmi n GLN 78 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2dmi n LYS 79 N -3.53 1.90 -3.63 2.61 5.02 -1.26 -5.06 118.16 114.20 2dmi n LYS 79 Ca -0.16 -3.64 -0.05 0.00 -2.02 0.00 0.00 58.31 52.44 2dmi n LYS 79 Cb 0.54 -1.58 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 2dmi n LYS 79 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2dmi s VAL 80 N -3.88 0.00 -0.68 -0.18 0.11 -1.26 -5.11 120.40 109.40 2dmi s VAL 80 Ca 0.33 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.13 2dmi s VAL 80 Cb 0.43 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 34.32 2dmi s VAL 80 CO -0.03 0.00 1.14 -0.76 -3.33 0.00 0.00 175.10 172.12 2dmi s LEU 81 N -0.45 3.66 -0.02 2.54 1.43 -1.26 -4.62 118.68 119.95 2dmi s LEU 81 Ca 0.06 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 2dmi s LEU 81 Cb -0.03 -2.61 -0.00 0.00 0.03 0.00 0.00 46.19 43.57 2dmi s LEU 81 CO -0.09 -1.62 -0.12 -0.75 0.23 0.00 0.00 176.35 174.00 2dmi s LYS 82 N 4.97 1.13 -0.57 1.70 2.47 -1.26 0.97 119.74 129.15 2dmi s LYS 82 Ca 0.32 -0.44 -0.21 0.00 -1.56 0.00 0.00 55.97 54.08 2dmi s LYS 82 Cb -0.11 -1.06 0.07 0.00 -1.46 0.00 0.00 37.83 35.26 2dmi s LYS 82 CO 0.15 0.22 0.80 0.00 0.16 0.00 0.00 175.35 176.69 2dmi h MET 84 N 9.26 0.06 -0.34 0.00 2.86 -1.96 2.63 114.93 127.44 2dmi h MET 84 Ca -0.28 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.39 2dmi h MET 84 Cb 1.08 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.69 2dmi h MET 84 CO 1.08 0.04 -0.20 0.98 1.06 0.00 0.00 176.91 179.87 2dmi n TYR 85 N -5.37 -0.15 -0.12 -0.22 4.19 -1.26 -3.84 117.16 110.39 2dmi n TYR 85 Ca 0.11 0.43 -0.24 0.00 3.31 0.00 0.00 57.90 61.50 2dmi n TYR 85 Cb 0.40 -0.48 -0.08 0.00 0.49 0.00 0.00 39.34 39.66 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 1.40 0.65 3.08 0.00 0.00 0.88 -5.02 105.19 106.18 2dmi n GLY 87 Ca -0.44 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.03 3.47 0.53 1.61 3.76 -1.25 -4.84 115.29 117.55 2dmi s HIS 88 Ca 0.00 -2.49 -0.22 0.00 -0.15 0.00 0.00 55.06 52.21 2dmi s HIS 88 Cb 0.00 -2.45 -0.05 0.00 1.11 0.00 0.00 32.58 31.19 2dmi s HIS 88 CO 0.00 -0.90 1.29 -1.54 -0.85 0.00 0.00 174.74 172.74 2dmi s SER 89 N 1.14 5.45 0.38 1.40 1.04 -1.26 -3.55 113.70 118.31 2dmi s SER 89 Ca 0.00 2.60 0.04 0.00 0.48 0.00 0.00 55.95 59.08 2dmi s SER 89 Cb -0.20 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.28 2dmi s SER 89 CO -0.05 -1.43 0.15 0.49 0.98 0.00 0.00 173.24 173.38 2dmi n PHE 90 N -1.00 0.04 -0.01 5.02 3.72 0.27 -4.96 117.46 120.55 2dmi n PHE 90 Ca 0.10 -2.53 -0.01 0.00 -0.05 0.00 0.00 57.45 54.96 2dmi n PHE 90 Cb 0.46 0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 39.02 2dmi n PHE 90 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2dmi n GLU 91 N -0.85 0.88 -4.47 -1.08 0.00 -1.26 -4.26 120.64 109.60 2dmi n GLU 91 Ca -0.04 0.01 -0.30 0.00 0.00 0.00 0.00 57.16 56.83 2dmi n GLU 91 Cb 0.59 -1.04 -0.12 0.00 0.00 0.00 0.00 31.44 30.86 2dmi n GLU 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2dmi s SER 92 N -3.99 3.62 0.19 -1.84 0.15 -1.26 -4.96 113.70 105.61 2dmi s SER 92 Ca -0.03 -0.59 -0.12 0.00 0.70 0.00 0.00 55.95 55.91 2dmi s SER 92 Cb 0.01 -0.43 0.22 0.00 -1.71 0.00 0.00 66.02 64.10 2dmi s SER 92 CO 0.06 0.20 1.70 -0.07 1.20 0.00 0.00 173.24 176.33 2dmi h LEU 93 N 4.07 -0.10 -0.18 3.45 3.38 -2.00 -2.83 115.31 121.09 2dmi h LEU 93 Ca -0.49 0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.61 2dmi h LEU 93 Cb 1.16 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 2dmi h LEU 93 CO 0.44 -0.03 -0.22 -0.61 0.09 0.00 0.00 178.44 178.12 2dmi h GLN 94 N 0.18 -0.13 -1.67 1.13 4.15 -1.97 0.43 115.11 117.24 2dmi h GLN 94 Ca 0.27 0.01 0.49 0.00 0.77 0.00 0.00 58.65 60.19 2dmi h GLN 94 Cb 0.40 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.05 2dmi h GLN 94 CO -0.39 -0.09 1.19 -0.25 -1.93 0.00 0.00 178.83 177.36 2dmi n ASP 95 N -3.75 0.01 -0.07 -0.69 9.92 -1.07 -0.13 116.55 120.77 2dmi n ASP 95 Ca -0.01 0.87 -0.07 0.00 -0.53 0.00 0.00 54.79 55.04 2dmi n ASP 95 Cb 0.13 -0.43 -0.04 0.00 -0.64 0.00 0.00 41.12 40.14 2dmi n ASP 95 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2dmi h LEU 96 N 0.00 0.00 -1.62 0.64 7.12 -0.35 -2.34 115.31 118.76 2dmi h LEU 96 Ca 0.80 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 58.67 2dmi h LEU 96 Cb 3.19 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 43.32 2dmi h LEU 96 CO -0.03 0.84 0.36 -1.28 -0.13 0.00 0.00 178.44 178.20 2dmi h SER 97 N -1.00 0.00 0.01 1.25 0.87 0.29 -1.21 113.55 113.76 2dmi h SER 97 Ca -0.06 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.12 2dmi h SER 97 Cb 0.57 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.48 2dmi h SER 97 CO -0.04 0.00 -2.09 0.55 -0.53 0.00 0.00 176.83 174.72 2dmi n VAL 98 N -2.66 1.55 -0.21 2.23 3.14 0.81 -4.23 118.33 118.96 2dmi n VAL 98 Ca -0.02 -0.32 -0.01 0.00 -2.96 0.00 0.00 64.34 61.03 2dmi n VAL 98 Cb 0.40 -1.86 0.06 0.00 -1.06 0.00 0.00 33.84 31.37 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 -0.78 -0.41 -0.83 1.45 -0.00 -0.66 0.28 115.15 114.20 2dmi h HIS 99 Ca -0.55 0.06 0.15 0.00 -0.00 0.00 0.00 60.37 60.03 2dmi h HIS 99 Cb 1.59 0.27 -0.10 0.00 -0.00 0.00 0.00 27.41 29.18 2dmi h HIS 99 CO -0.00 -0.29 0.40 0.52 -0.00 0.00 0.00 177.93 178.56 2dmi h MET 100 N -0.03 0.53 0.14 5.26 2.86 -1.65 0.28 114.93 122.33 2dmi h MET 100 Ca 0.29 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 2dmi h MET 100 Cb 0.47 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2dmi h MET 100 CO -0.65 0.35 -0.07 0.82 1.06 0.00 0.00 176.91 178.43 2dmi h ILE 101 N 0.55 0.00 -1.34 -1.22 5.03 -0.92 2.38 117.51 121.99 2dmi h ILE 101 Ca 0.46 -0.27 0.40 0.00 -0.12 0.00 0.00 64.86 65.33 2dmi h ILE 101 Cb 0.70 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 34.39 2dmi h ILE 101 CO -0.39 0.00 0.91 0.07 -0.68 0.00 0.00 178.15 178.06 2dmi h LYS 102 N -0.46 0.11 -0.01 2.37 2.10 -0.50 1.10 116.57 121.29 2dmi h LYS 102 Ca -0.02 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2dmi h LYS 102 Cb 0.15 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2dmi h LYS 102 CO 0.03 0.07 -0.48 0.25 -2.00 0.00 0.00 179.45 177.32 2dmi n THR 103 N -4.43 0.00 -3.91 0.07 -2.24 0.98 -5.00 114.28 99.75 2dmi n THR 103 Ca 0.33 -0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.58 2dmi n THR 103 Cb 1.37 1.13 -0.01 0.00 -2.10 0.00 0.00 70.33 70.72 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 -0.54 -2.71 -0.10 -0.78 4.01 0.75 -4.91 118.16 113.89 2dmi n LYS 104 Ca 0.06 0.39 -0.18 0.00 -0.51 0.00 0.00 58.31 58.07 2dmi n LYS 104 Cb 0.31 -4.34 -0.09 0.00 -0.51 0.00 0.00 35.03 30.40 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 -1.89 0.00 0.00 2.13 3.86 -0.16 -3.37 115.15 115.72 2dmi h HIS 105 Ca -0.64 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.57 2dmi h HIS 105 Cb 1.37 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.84 2dmi h HIS 105 CO 0.45 1.15 -0.00 0.10 0.86 0.00 0.00 177.93 180.49 2dmi h TYR 106 N -1.00 0.00 -0.41 2.45 -0.00 -1.91 -1.89 116.97 114.21 2dmi h TYR 106 Ca -0.26 0.00 -0.25 0.00 -0.00 0.00 0.00 58.73 58.22 2dmi h TYR 106 Cb 1.11 0.00 -0.12 0.00 -0.00 0.00 0.00 36.73 37.72 2dmi h TYR 106 CO 0.03 0.00 0.32 1.04 -0.00 0.00 0.00 178.16 179.56 2dmi n GLN 107 N -3.54 1.61 0.00 0.10 1.13 -1.26 -3.73 117.38 111.69 2dmi n GLN 107 Ca -0.03 -1.30 0.00 0.00 -1.94 0.00 0.00 57.00 53.73 2dmi n GLN 107 Cb 0.08 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 28.92 2dmi n GLN 107 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2dmi n LYS 108 N 0.18 0.83 0.30 -1.09 4.76 -0.71 -4.73 118.16 117.70 2dmi n LYS 108 Ca 0.25 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.81 2dmi n LYS 108 Cb 0.77 -0.78 0.55 0.00 -1.84 0.00 0.00 35.03 33.72 2dmi n LYS 108 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 2dmi h VAL 109 N 0.00 0.02 -1.06 -0.18 -1.51 -1.70 -3.40 116.25 108.42 2dmi h VAL 109 Ca 0.00 0.00 -0.60 0.00 -1.23 0.00 0.00 66.70 64.87 2dmi h VAL 109 Cb 0.56 0.44 -0.09 0.00 -2.13 0.00 0.00 31.29 30.07 2dmi h VAL 109 CO 0.00 0.00 -0.46 -0.94 -1.23 0.00 0.00 177.57 174.94 2dmi s SER 110 N -4.01 4.36 0.00 4.19 1.04 -1.26 -5.14 113.70 112.88 2dmi s SER 110 Ca -0.02 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.13 2dmi s SER 110 Cb 0.07 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.16 2dmi s SER 110 CO 0.21 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2dmi n GLY 111 N -1.35 1.78 3.71 7.32 0.00 -1.26 -5.05 105.19 110.34 2dmi n GLY 111 Ca -0.06 0.41 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 1.17 -0.18 1.61 0.04 -1.26 -5.08 135.00 131.30 2dmi s PRO 112 Ca 0.00 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 61.53 2dmi s PRO 112 Cb 0.00 -1.80 0.14 0.00 0.04 0.00 0.00 34.50 32.88 2dmi s PRO 112 CO 0.00 -2.29 1.09 0.45 0.04 0.00 0.00 177.00 176.28 2dmi s SER 113 N -3.42 -0.28 0.33 6.66 0.15 -1.26 -5.19 113.70 110.70 2dmi s SER 113 Ca 0.64 0.27 -0.07 0.00 0.70 0.00 0.00 55.95 57.48 2dmi s SER 113 Cb -0.18 0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.38 2dmi s SER 113 CO 0.57 -0.28 0.53 -0.44 1.20 0.00 0.00 173.24 174.82 2dmi s SER 114 N -1.25 0.57 0.00 5.45 0.01 -1.26 -5.38 113.70 111.84 2dmi s SER 114 Ca 0.02 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 55.95 2dmi s SER 114 Cb -0.01 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.91 2dmi s SER 114 CO -0.02 -1.35 0.00 0.61 0.41 0.00 0.00 173.24 172.90