#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhi s SER 2 N 0.00 3.29 -0.11 1.61 0.15 -1.26 -5.04 113.70 112.34 2dhi s SER 2 Ca 0.00 -0.91 0.14 0.00 0.70 0.00 0.00 55.95 55.89 2dhi s SER 2 Cb 0.00 -0.24 0.37 0.00 -1.71 0.00 0.00 66.02 64.44 2dhi s SER 2 CO 0.00 0.06 1.27 -1.54 1.20 0.00 0.00 173.24 174.24 2dhi n SER 3 N 0.05 3.10 0.00 5.45 3.41 -1.26 -5.05 113.62 119.32 2dhi n SER 3 Ca -0.11 -2.74 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 2dhi n SER 3 Cb 0.57 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2dhi n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dhi n GLY 4 N -0.57 1.60 3.72 5.00 0.00 -1.26 -4.82 105.19 108.86 2dhi n GLY 4 Ca 0.16 0.48 -0.25 0.00 0.00 0.00 0.00 46.02 46.40 2dhi n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dhi n SER 5 N 8.67 -4.61 -4.44 1.61 2.88 -1.26 -4.91 113.62 111.57 2dhi n SER 5 Ca 0.00 -0.68 -0.44 0.00 -1.33 0.00 0.00 58.87 56.42 2dhi n SER 5 Cb 0.00 -4.46 -0.03 0.00 -0.75 0.00 0.00 64.21 58.97 2dhi n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dhi s SER 6 N -3.57 6.63 -1.35 -3.46 1.04 -1.26 -4.95 113.70 106.78 2dhi s SER 6 Ca 0.48 -2.09 -0.17 0.00 0.48 0.00 0.00 55.95 54.65 2dhi s SER 6 Cb -0.23 -2.38 0.07 0.00 0.10 0.00 0.00 66.02 63.58 2dhi s SER 6 CO 0.78 -1.01 1.89 0.61 0.98 0.00 0.00 173.24 176.48 2dhi n GLY 7 N 5.31 3.21 3.28 7.32 0.00 -1.26 -4.96 105.19 118.10 2dhi n GLY 7 Ca 0.22 -1.53 -0.55 0.00 0.00 0.00 0.00 46.02 44.15 2dhi n GLY 7 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dhi n PHE 8 N 7.54 0.63 -0.16 1.61 3.72 -1.26 -4.71 117.46 124.83 2dhi n PHE 8 Ca 0.49 0.99 -0.05 0.00 -0.05 0.00 0.00 57.45 58.84 2dhi n PHE 8 Cb 0.44 -1.96 0.01 0.00 -0.94 0.00 0.00 39.48 37.02 2dhi n PHE 8 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2dhi h VAL 9 N 2.86 0.24 -3.12 -4.37 2.07 0.12 -3.43 116.25 110.64 2dhi h VAL 9 Ca -0.48 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 66.88 2dhi h VAL 9 Cb 1.34 0.24 -0.26 0.00 -1.52 0.00 0.00 31.29 31.09 2dhi h VAL 9 CO 0.62 0.00 -0.43 -0.75 0.02 0.00 0.00 177.57 177.03 2dhi s LYS 10 N -6.04 0.29 0.01 1.57 2.20 -1.25 -5.01 119.74 111.50 2dhi s LYS 10 Ca -0.14 0.36 0.02 0.00 -0.36 0.00 0.00 55.97 55.85 2dhi s LYS 10 Cb 0.15 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.59 2dhi s LYS 10 CO 0.69 -0.04 -0.08 -1.54 -0.36 0.00 0.00 175.35 174.02 2dhi s SER 11 N 0.22 0.93 -0.17 1.43 1.04 -1.26 -2.55 113.70 113.33 2dhi s SER 11 Ca -0.01 -0.24 -0.35 0.00 0.48 0.00 0.00 55.95 55.83 2dhi s SER 11 Cb -0.02 -0.07 0.14 0.00 0.10 0.00 0.00 66.02 66.17 2dhi s SER 11 CO -0.00 0.03 1.30 -0.83 0.98 0.00 0.00 173.24 174.71 2dhi s GLY 12 N -0.52 -0.31 0.19 7.32 0.00 -1.20 -5.06 107.32 107.74 2dhi s GLY 12 Ca 0.00 1.44 -0.30 0.00 0.00 0.00 0.00 44.72 45.87 2dhi s GLY 12 CO 0.00 0.44 1.05 -0.98 0.00 0.00 0.00 173.10 173.61 2dhi s TRP 13 N -2.28 3.70 -0.15 1.90 0.52 -1.26 -3.17 118.94 118.21 2dhi s TRP 13 Ca 0.12 1.70 -0.14 0.00 0.02 0.00 0.00 56.10 57.80 2dhi s TRP 13 Cb 0.01 -3.19 0.04 0.00 -1.15 0.00 0.00 33.47 29.18 2dhi s TRP 13 CO -0.04 -0.27 0.40 -0.51 0.02 0.00 0.00 176.95 176.55 2dhi s LEU 14 N -0.61 0.47 0.10 2.99 1.43 -0.45 -4.73 118.68 117.87 2dhi s LEU 14 Ca 0.47 0.79 -0.25 0.00 -1.03 0.00 0.00 54.13 54.11 2dhi s LEU 14 Cb -0.28 1.38 -0.07 0.00 0.03 0.00 0.00 46.19 47.26 2dhi s LEU 14 CO 0.34 -0.15 0.78 -0.76 0.23 0.00 0.00 176.35 176.79 2dhi s LEU 15 N 0.17 4.51 -0.07 1.79 1.43 -0.62 -0.77 118.68 125.13 2dhi s LEU 15 Ca -0.00 1.55 0.03 0.00 -1.03 0.00 0.00 54.13 54.67 2dhi s LEU 15 Cb -0.03 -3.27 0.01 0.00 0.03 0.00 0.00 46.19 42.93 2dhi s LEU 15 CO 0.01 0.09 -0.15 -0.60 0.23 0.00 0.00 176.35 175.93 2dhi s ARG 16 N -0.52 1.94 -0.18 1.70 3.52 -0.94 -0.37 118.95 124.11 2dhi s ARG 16 Ca 0.38 -0.53 -0.25 0.00 -0.13 0.00 0.00 55.73 55.20 2dhi s ARG 16 Cb -0.22 -1.58 -0.02 0.00 -1.56 0.00 0.00 34.95 31.58 2dhi s ARG 16 CO 0.25 0.10 0.80 -1.14 -0.81 0.00 0.00 175.30 174.50 2dhi s GLN 17 N 0.47 4.28 0.23 5.12 0.74 -0.45 -2.37 119.66 127.68 2dhi s GLN 17 Ca -0.13 0.95 0.06 0.00 0.05 0.00 0.00 55.36 56.29 2dhi s GLN 17 Cb -0.15 -3.58 -0.03 0.00 1.10 0.00 0.00 33.01 30.34 2dhi s GLN 17 CO 0.04 -0.33 0.25 0.45 -0.55 0.00 0.00 175.29 175.15 2dhi s SER 18 N 1.18 5.82 0.07 6.67 0.15 -1.25 -4.54 113.70 121.80 2dhi s SER 18 Ca 0.37 -0.12 0.13 0.00 0.70 0.00 0.00 55.95 57.03 2dhi s SER 18 Cb -0.16 -1.58 -0.15 0.00 -1.71 0.00 0.00 66.02 62.42 2dhi s SER 18 CO 0.12 -0.03 0.95 0.74 1.20 0.00 0.00 173.24 176.22 2dhi h THR 19 N 1.45 0.88 0.00 6.45 2.02 -1.97 0.97 112.91 122.72 2dhi h THR 19 Ca -0.50 -2.51 -0.17 0.00 0.77 0.00 0.00 66.41 64.01 2dhi h THR 19 Cb 1.23 2.36 -0.03 0.00 -1.74 0.00 0.00 68.15 69.97 2dhi h THR 19 CO 0.61 0.50 -0.94 0.40 0.37 0.00 0.00 175.52 176.47 2dhi h ILE 20 N 0.00 1.11 0.00 3.11 1.08 -1.99 -3.33 117.51 117.49 2dhi h ILE 20 Ca -0.15 -2.67 -0.08 0.00 -0.39 0.00 0.00 64.86 61.58 2dhi h ILE 20 Cb 1.72 2.52 -0.01 0.00 -3.07 0.00 0.00 36.82 37.97 2dhi h ILE 20 CO 0.07 0.63 -1.91 0.18 -0.69 0.00 0.00 178.15 176.44 2dhi n LEU 21 N -3.20 0.00 -4.17 1.44 4.77 -1.25 -4.99 117.00 109.59 2dhi n LEU 21 Ca -0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.60 2dhi n LEU 21 Cb 0.86 0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 42.03 2dhi n LEU 21 CO 0.44 0.10 -0.02 0.29 -1.33 0.00 0.00 177.39 176.87 2dhi n LYS 22 N -2.26 -3.22 -3.59 3.23 4.76 0.34 -4.92 118.16 112.51 2dhi n LYS 22 Ca -0.09 0.38 -0.16 0.00 -2.87 0.00 0.00 58.31 55.56 2dhi n LYS 22 Cb 0.62 -5.12 -0.07 0.00 -1.84 0.00 0.00 35.03 28.62 2dhi n LYS 22 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2dhi s ARG 23 N -6.87 0.93 -0.14 1.97 1.70 -1.25 -4.96 118.95 110.32 2dhi s ARG 23 Ca 0.73 0.25 -0.29 0.00 -0.47 0.00 0.00 55.73 55.95 2dhi s ARG 23 Cb -0.40 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.38 2dhi s ARG 23 CO 0.90 -0.26 1.66 -1.58 -1.08 0.00 0.00 175.30 174.94 2dhi s TRP 24 N -1.00 2.00 -0.11 5.89 0.52 -1.26 -3.81 118.94 121.17 2dhi s TRP 24 Ca -0.10 0.38 0.03 0.00 0.02 0.00 0.00 56.10 56.44 2dhi s TRP 24 Cb -0.02 -3.94 0.00 0.00 -1.15 0.00 0.00 33.47 28.36 2dhi s TRP 24 CO 0.07 -3.41 -0.22 -1.59 0.02 0.00 0.00 176.95 171.82 2dhi s LYS 25 N 4.45 2.96 0.20 4.98 -2.85 -1.00 -4.89 119.74 123.60 2dhi s LYS 25 Ca 0.74 -0.84 -0.32 0.00 -1.00 0.00 0.00 55.97 54.54 2dhi s LYS 25 Cb -0.29 -2.30 -0.15 0.00 -2.06 0.00 0.00 37.83 33.03 2dhi s LYS 25 CO 0.29 0.09 1.28 1.17 0.10 0.00 0.00 175.35 178.28 2dhi n LYS 26 N 3.77 1.55 -3.93 1.78 3.00 -1.26 -2.21 118.16 120.86 2dhi n LYS 26 Ca -0.20 0.55 -0.09 0.00 -0.00 0.00 0.00 58.31 58.58 2dhi n LYS 26 Cb 0.52 -2.13 -0.09 0.00 0.00 0.00 0.00 35.03 33.34 2dhi n LYS 26 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2dhi s ASN 27 N 0.15 0.20 -0.20 3.14 0.02 0.05 -4.89 114.94 113.41 2dhi s ASN 27 Ca 0.71 -0.62 -0.08 0.00 -1.02 0.00 0.00 52.86 51.86 2dhi s ASN 27 Cb -0.76 0.26 -0.04 0.00 0.02 0.00 0.00 41.25 40.72 2dhi s ASN 27 CO 0.51 -0.58 0.07 0.86 0.02 0.00 0.00 177.10 177.98 2dhi s TRP 28 N -3.12 3.22 0.11 2.20 -0.11 -0.29 -1.34 118.94 119.62 2dhi s TRP 28 Ca -0.01 0.00 0.09 0.00 1.22 0.00 0.00 56.10 57.40 2dhi s TRP 28 Cb 0.02 -2.13 -0.04 0.00 -1.50 0.00 0.00 33.47 29.82 2dhi s TRP 28 CO -0.07 0.05 -0.18 -0.06 -4.62 0.00 0.00 176.95 172.07 2dhi s PHE 29 N 0.67 2.53 -0.22 5.86 0.40 -1.19 0.47 117.98 126.50 2dhi s PHE 29 Ca 0.04 -0.27 -0.06 0.00 -0.60 0.00 0.00 56.93 56.04 2dhi s PHE 29 Cb -0.13 -1.35 0.11 0.00 0.51 0.00 0.00 43.02 42.16 2dhi s PHE 29 CO 0.02 0.38 0.42 -0.51 0.70 0.00 0.00 175.22 176.23 2dhi s ASP 30 N -2.11 -0.20 -0.07 1.36 1.01 -0.71 -3.26 116.67 112.68 2dhi s ASP 30 Ca 0.18 0.80 -0.17 0.00 0.71 0.00 0.00 52.55 54.06 2dhi s ASP 30 Cb -0.11 1.36 -0.05 0.00 1.01 0.00 0.00 42.92 45.13 2dhi s ASP 30 CO 0.10 -0.25 0.45 -0.22 0.21 0.00 0.00 175.17 175.45 2dhi s LEU 31 N 2.62 4.36 0.54 1.23 2.96 -1.06 -1.56 118.68 127.77 2dhi s LEU 31 Ca 0.03 0.88 -0.03 0.00 -0.22 0.00 0.00 54.13 54.79 2dhi s LEU 31 Cb -0.13 -2.65 0.01 0.00 0.50 0.00 0.00 46.19 43.91 2dhi s LEU 31 CO -0.14 0.14 0.81 0.26 -1.32 0.00 0.00 176.35 176.09 2dhi s TRP 32 N -0.09 3.22 0.37 5.38 0.52 0.11 0.16 118.94 128.60 2dhi s TRP 32 Ca 0.25 0.45 0.12 0.00 0.02 0.00 0.00 56.10 56.93 2dhi s TRP 32 Cb -0.16 -2.58 0.71 0.00 -1.15 0.00 0.00 33.47 30.29 2dhi s TRP 32 CO 0.12 -0.65 1.82 0.77 0.02 0.00 0.00 176.95 179.03 2dhi h SER 33 N 0.05 0.04 0.40 2.95 0.02 -1.85 -1.85 113.55 113.30 2dhi h SER 33 Ca -0.45 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2dhi h SER 33 Cb 1.26 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2dhi h SER 33 CO 0.59 0.39 -0.00 -0.90 -1.14 0.00 0.00 176.83 175.77 2dhi n ASP 34 N -4.11 0.01 0.00 3.07 5.68 -1.26 -4.81 116.55 115.13 2dhi n ASP 34 Ca -0.02 -0.41 0.00 0.00 -0.50 0.00 0.00 54.79 53.86 2dhi n ASP 34 Cb 0.40 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 2dhi n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dhi n GLY 35 N 1.20 2.72 3.55 6.12 0.00 -0.70 -4.73 105.19 113.36 2dhi n GLY 35 Ca 0.17 -0.55 -0.49 0.00 0.00 0.00 0.00 46.02 45.15 2dhi n GLY 35 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dhi n HIS 36 N 0.00 1.02 -5.13 1.61 8.25 -1.26 -4.02 115.22 115.68 2dhi n HIS 36 Ca 0.00 0.75 -0.32 0.00 -0.26 0.00 0.00 57.72 57.89 2dhi n HIS 36 Cb 0.00 -2.22 -0.16 0.00 1.12 0.00 0.00 29.99 28.73 2dhi n HIS 36 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2dhi s LEU 37 N 0.85 2.22 -0.04 2.41 2.96 -0.05 0.08 118.68 127.11 2dhi s LEU 37 Ca 0.72 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 2dhi s LEU 37 Cb -0.89 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 44.38 2dhi s LEU 37 CO 0.54 0.16 -0.03 -0.63 -1.32 0.00 0.00 176.35 175.07 2dhi s ILE 38 N 0.32 0.46 0.20 6.68 1.01 -0.60 -1.27 121.20 128.00 2dhi s ILE 38 Ca -0.17 -0.07 0.10 0.00 0.00 0.00 0.00 60.65 60.51 2dhi s ILE 38 Cb -0.17 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 2dhi s ILE 38 CO 0.08 0.21 -0.13 -0.72 0.00 0.00 0.00 174.94 174.38 2dhi s TYR 39 N 0.99 2.53 0.33 3.97 1.13 -1.19 -1.74 117.35 123.37 2dhi s TYR 39 Ca -0.10 -0.26 0.06 0.00 -1.41 0.00 0.00 57.07 55.35 2dhi s TYR 39 Cb -0.14 -1.22 -0.07 0.00 -1.10 0.00 0.00 41.96 39.43 2dhi s TYR 39 CO -0.01 0.53 0.01 0.71 -2.51 0.00 0.00 175.55 174.29 2dhi s TYR 40 N -1.81 2.12 0.29 -3.49 1.51 0.18 -2.24 117.35 113.91 2dhi s TYR 40 Ca 0.25 -0.79 0.02 0.00 -1.01 0.00 0.00 57.07 55.54 2dhi s TYR 40 Cb -0.08 -1.37 0.44 0.00 -0.11 0.00 0.00 41.96 40.84 2dhi s TYR 40 CO 0.14 0.22 1.75 0.22 -1.11 0.00 0.00 175.55 176.78 2dhi h ASP 41 N 2.07 0.52 -3.28 2.29 3.58 -1.77 -0.74 116.42 119.08 2dhi h ASP 41 Ca -0.41 -0.15 -0.17 0.00 0.42 0.00 0.00 57.03 56.71 2dhi h ASP 41 Cb 1.24 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 42.11 2dhi h ASP 41 CO 0.72 0.71 -0.02 0.47 -2.88 0.00 0.00 179.24 178.25 2dhi n ASP 42 N -4.16 -1.35 0.25 2.28 8.00 -1.26 -4.47 116.55 115.84 2dhi n ASP 42 Ca 0.00 -2.48 0.11 0.00 0.71 0.00 0.00 54.79 53.13 2dhi n ASP 42 Cb 0.36 2.41 0.64 0.00 -0.02 0.00 0.00 41.12 44.51 2dhi n ASP 42 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2dhi h GLN 43 N 0.00 0.00 -0.31 -1.24 -0.00 -1.98 -2.54 115.11 109.04 2dhi h GLN 43 Ca -0.24 0.00 0.09 0.00 -0.00 0.00 0.00 58.65 58.50 2dhi h GLN 43 Cb 0.99 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.46 2dhi h GLN 43 CO 0.32 0.17 0.26 1.79 0.00 0.00 0.00 178.83 181.36 2dhi h THR 44 N 0.00 0.68 -5.91 2.39 1.35 -1.99 -3.45 112.91 105.98 2dhi h THR 44 Ca -0.00 0.00 -0.42 0.00 -0.55 0.00 0.00 66.41 65.44 2dhi h THR 44 Cb 0.43 0.81 0.09 0.00 -1.73 0.00 0.00 68.15 67.76 2dhi h THR 44 CO 0.02 0.00 -0.70 0.54 -0.25 0.00 0.00 175.52 175.14 2dhi n ARG 45 N -4.19 -7.24 -0.06 4.72 1.74 -0.96 -4.90 116.66 105.76 2dhi n ARG 45 Ca 0.05 0.77 -0.20 0.00 -0.77 0.00 0.00 57.85 57.70 2dhi n ARG 45 Cb 0.42 -5.78 -0.13 0.00 -1.02 0.00 0.00 32.46 25.95 2dhi n ARG 45 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2dhi n GLN 46 N -4.89 0.71 -3.74 5.56 6.02 -1.26 -4.80 117.38 114.97 2dhi n GLN 46 Ca 0.01 0.23 -0.37 0.00 -0.01 0.00 0.00 57.00 56.86 2dhi n GLN 46 Cb 0.55 -1.63 -0.11 0.00 1.02 0.00 0.00 30.24 30.07 2dhi n GLN 46 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2dhi s SER 47 N -6.84 5.31 -0.39 1.08 0.01 -1.26 -5.06 113.70 106.56 2dhi s SER 47 Ca -0.28 -1.70 -0.28 0.00 1.31 0.00 0.00 55.95 55.00 2dhi s SER 47 Cb 0.08 -1.86 -0.01 0.00 0.21 0.00 0.00 66.02 64.43 2dhi s SER 47 CO 0.69 -0.48 1.74 -0.63 0.41 0.00 0.00 173.24 174.96 2dhi s ILE 48 N 1.26 3.53 0.06 1.44 1.01 -1.26 -2.38 121.20 124.86 2dhi s ILE 48 Ca 0.04 0.52 -0.25 0.00 0.00 0.00 0.00 60.65 60.96 2dhi s ILE 48 Cb -0.22 -3.79 -0.12 0.00 0.01 0.00 0.00 42.46 38.34 2dhi s ILE 48 CO -0.01 -0.55 1.38 -0.33 0.00 0.00 0.00 174.94 175.43 2dhi h GLU 49 N 12.80 -0.70 -2.50 2.79 5.08 -1.75 -3.48 114.58 126.82 2dhi h GLU 49 Ca -0.31 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.26 2dhi h GLU 49 Cb 1.16 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 2dhi h GLU 49 CO 1.07 -0.47 0.57 0.34 -1.00 0.00 0.00 179.01 179.52 2dhi s ASP 50 N -3.65 -0.02 -0.01 1.42 2.15 -1.23 -5.07 116.67 110.26 2dhi s ASP 50 Ca -0.12 -0.64 0.01 0.00 0.43 0.00 0.00 52.55 52.22 2dhi s ASP 50 Cb 0.03 0.50 0.01 0.00 -0.30 0.00 0.00 42.92 43.15 2dhi s ASP 50 CO 0.41 -0.98 -0.03 -0.75 -0.17 0.00 0.00 175.17 173.65 2dhi s LYS 51 N -2.31 0.34 -0.12 4.34 2.20 -1.26 -3.16 119.74 119.77 2dhi s LYS 51 Ca 0.21 -0.07 -0.16 0.00 -0.36 0.00 0.00 55.97 55.59 2dhi s LYS 51 Cb -0.02 -0.39 0.04 0.00 -1.51 0.00 0.00 37.83 35.95 2dhi s LYS 51 CO 0.05 0.00 0.42 0.08 -0.36 0.00 0.00 175.35 175.54 2dhi s VAL 52 N 0.32 0.01 0.58 4.02 1.01 -0.40 -5.04 120.40 120.91 2dhi s VAL 52 Ca -0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 2dhi s VAL 52 Cb -0.06 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.71 2dhi s VAL 52 CO -0.01 -0.05 0.86 -2.28 0.00 0.00 0.00 175.10 173.62 2dhi s HIS 53 N -0.18 3.10 0.00 5.22 2.46 -1.26 -0.87 115.29 123.75 2dhi s HIS 53 Ca -0.03 0.40 0.00 0.00 0.47 0.00 0.00 55.06 55.90 2dhi s HIS 53 Cb -0.03 -2.77 0.00 0.00 -0.13 0.00 0.00 32.58 29.65 2dhi s HIS 53 CO 0.02 -0.89 0.00 -1.33 -2.47 0.00 0.00 174.74 170.07 2dhi n MET 54 N -2.53 0.00 0.00 2.88 2.81 -1.26 -2.66 117.12 116.36 2dhi n MET 54 Ca 0.05 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.00 2dhi n MET 54 Cb 0.59 -0.46 0.32 0.00 -0.71 0.00 0.00 33.22 32.96 2dhi n MET 54 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2dhi n PRO 55 N -2.47 0.49 0.00 0.03 -0.04 -1.26 -0.34 135.00 131.41 2dhi n PRO 55 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2dhi n PRO 55 Cb 0.00 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 2dhi n PRO 55 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2dhi n VAL 56 N -0.85 0.01 0.00 0.52 0.31 -1.26 -4.86 118.33 112.20 2dhi n VAL 56 Ca 0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.20 2dhi n VAL 56 Cb 0.04 -1.40 -0.14 0.00 -0.91 0.00 0.00 33.84 31.43 2dhi n VAL 56 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2dhi h ASP 57 N 0.00 0.37 -3.38 4.52 3.58 -1.57 -3.46 116.42 116.47 2dhi h ASP 57 Ca 0.00 -0.85 -0.55 0.00 0.42 0.00 0.00 57.03 56.05 2dhi h ASP 57 Cb 0.89 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.78 2dhi h ASP 57 CO 0.00 1.62 0.10 0.00 -2.88 0.00 0.00 179.24 178.09 2dhi n ILE 59 N 2.94 0.53 -3.88 0.00 -5.35 0.64 -4.31 119.36 109.93 2dhi n ILE 59 Ca -0.03 -0.32 -0.11 0.00 -0.27 0.00 0.00 62.75 62.02 2dhi n ILE 59 Cb 0.51 -0.80 -0.11 0.00 -1.74 0.00 0.00 39.64 37.50 2dhi n ILE 59 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2dhi s ASN 60 N -4.02 0.02 -0.24 7.28 3.84 -1.14 -5.02 114.94 115.66 2dhi s ASN 60 Ca -0.05 -0.13 -0.01 0.00 0.21 0.00 0.00 52.86 52.89 2dhi s ASN 60 Cb 0.02 0.20 0.02 0.00 -0.55 0.00 0.00 41.25 40.95 2dhi s ASN 60 CO 0.31 -0.26 -0.08 -0.63 -2.79 0.00 0.00 177.10 173.64 2dhi s ILE 61 N -0.98 2.74 -0.10 -5.21 1.01 -1.26 -0.15 121.20 117.25 2dhi s ILE 61 Ca -0.11 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.50 2dhi s ILE 61 Cb -0.06 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 2dhi s ILE 61 CO 0.01 0.25 0.01 -0.13 0.00 0.00 0.00 174.94 175.08 2dhi s ARG 62 N 1.32 3.15 0.10 2.79 0.52 -1.03 -5.00 118.95 120.80 2dhi s ARG 62 Ca 0.01 -0.40 -0.05 0.00 -0.52 0.00 0.00 55.73 54.76 2dhi s ARG 62 Cb -0.16 -2.86 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 2dhi s ARG 62 CO -0.06 0.63 0.13 0.95 0.02 0.00 0.00 175.30 176.97 2dhi s THR 63 N -0.66 0.14 0.00 0.02 -4.23 -1.26 0.07 115.64 109.72 2dhi s THR 63 Ca 0.11 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 2dhi s THR 63 Cb -0.12 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 72.12 2dhi s THR 63 CO 0.02 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.07 2dhi n GLY 64 N -0.05 0.87 0.09 3.99 0.00 -0.64 -1.95 105.19 107.49 2dhi n GLY 64 Ca -0.12 0.42 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 2dhi n GLY 64 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dhi n HIS 65 N 0.00 0.00 -0.32 1.61 -0.00 -1.26 -4.55 115.22 110.70 2dhi n HIS 65 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 2dhi n HIS 65 Cb 0.00 -0.81 0.11 0.00 -0.00 0.00 0.00 29.99 29.28 2dhi n HIS 65 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 2dhi h GLU 66 N 0.00 -0.01 -6.02 -0.41 4.39 -1.77 -3.42 114.58 107.35 2dhi h GLU 66 Ca -0.45 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 58.71 2dhi h GLU 66 Cb 1.97 0.00 0.24 0.00 -0.10 0.00 0.00 28.75 30.87 2dhi h GLU 66 CO 0.01 -0.00 -1.97 0.00 -1.16 0.00 0.00 179.01 175.89 2dhi n ARG 68 N 2.38 -1.02 -0.60 0.00 1.74 -1.26 -4.65 116.66 113.25 2dhi n ARG 68 Ca -0.02 -0.32 -0.05 0.00 -0.77 0.00 0.00 57.85 56.69 2dhi n ARG 68 Cb 0.59 -0.56 -0.08 0.00 -1.02 0.00 0.00 32.46 31.39 2dhi n ARG 68 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2dhi n ASP 69 N -1.97 3.95 -3.10 0.55 8.00 -1.26 -4.85 116.55 117.87 2dhi n ASP 69 Ca 0.03 -2.16 -0.14 0.00 0.71 0.00 0.00 54.79 53.23 2dhi n ASP 69 Cb 0.13 -0.97 0.09 0.00 -0.02 0.00 0.00 41.12 40.35 2dhi n ASP 69 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2dhi n ILE 70 N 2.22 0.00 -3.74 0.53 -5.35 -1.26 -5.12 119.36 106.64 2dhi n ILE 70 Ca 0.19 -0.61 -0.13 0.00 -0.27 0.00 0.00 62.75 61.93 2dhi n ILE 70 Cb 0.56 -1.55 -0.11 0.00 -1.74 0.00 0.00 39.64 36.80 2dhi n ILE 70 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dhi s GLN 71 N -4.31 0.41 0.78 6.28 -2.07 -1.26 -5.15 119.66 114.34 2dhi s GLN 71 Ca 0.38 0.55 -0.11 0.00 -1.82 0.00 0.00 55.36 54.37 2dhi s GLN 71 Cb -0.01 0.16 0.06 0.00 -1.09 0.00 0.00 33.01 32.12 2dhi s GLN 71 CO 0.26 -0.07 1.09 -1.25 -1.32 0.00 0.00 175.29 174.00 2dhi s PRO 72 N 0.43 2.23 0.00 9.60 0.04 -1.26 -5.06 135.00 140.98 2dhi s PRO 72 Ca -0.02 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2dhi s PRO 72 Cb -0.04 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2dhi s PRO 72 CO -0.02 -1.66 0.00 -0.35 0.04 0.00 0.00 177.00 175.01 2dhi n PRO 73 N -3.53 0.23 -3.48 0.56 -0.04 -1.26 -4.99 135.00 122.48 2dhi n PRO 73 Ca 0.09 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.16 2dhi n PRO 73 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 2dhi n PRO 73 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2dhi s ASP 74 N -1.52 6.15 0.00 3.54 -4.77 -1.26 -4.07 116.67 114.75 2dhi s ASP 74 Ca 0.00 0.16 0.00 0.00 -3.30 0.00 0.00 52.55 49.41 2dhi s ASP 74 Cb 0.00 -2.17 0.00 0.00 -1.09 0.00 0.00 42.92 39.66 2dhi s ASP 74 CO 0.00 -0.12 0.00 0.61 0.70 0.00 0.00 175.17 176.36 2dhi n GLY 75 N 4.85 0.21 3.44 2.12 0.00 -1.26 -5.07 105.19 109.48 2dhi n GLY 75 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 2dhi n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dhi s LYS 76 N -0.95 2.35 0.39 1.61 -0.14 -1.26 -5.13 119.74 116.61 2dhi s LYS 76 Ca 0.00 -0.79 -0.07 0.00 -1.36 0.00 0.00 55.97 53.75 2dhi s LYS 76 Cb 0.00 -2.28 0.10 0.00 -1.68 0.00 0.00 37.83 33.97 2dhi s LYS 76 CO 0.00 0.60 0.35 -0.35 -0.76 0.00 0.00 175.35 175.18 2dhi n PRO 77 N 2.18 -1.70 -0.08 -1.68 -0.04 -1.26 -4.57 135.00 127.86 2dhi n PRO 77 Ca -0.17 -0.55 -0.12 0.00 -0.04 0.00 0.00 63.50 62.62 2dhi n PRO 77 Cb 0.52 -0.52 -0.15 0.00 -0.04 0.00 0.00 33.50 33.32 2dhi n PRO 77 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2dhi n ARG 78 N -2.57 0.68 0.17 0.54 0.63 -1.26 -4.14 116.66 110.71 2dhi n ARG 78 Ca 0.05 0.12 0.12 0.00 -0.92 0.00 0.00 57.85 57.22 2dhi n ARG 78 Cb 0.19 -1.60 0.60 0.00 0.45 0.00 0.00 32.46 32.10 2dhi n ARG 78 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2dhi h ASP 79 N 0.01 0.00 -0.31 6.15 5.19 -1.95 0.03 116.42 125.53 2dhi h ASP 79 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2dhi h ASP 79 Cb 2.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.62 2dhi h ASP 79 CO 0.03 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.15 2dhi s LEU 81 N -1.19 4.14 -0.04 0.00 1.43 -0.00 -0.85 118.68 122.17 2dhi s LEU 81 Ca 0.28 0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.86 2dhi s LEU 81 Cb 0.15 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 2dhi s LEU 81 CO 0.20 -0.56 -0.11 -0.22 0.23 0.00 0.00 176.35 175.90 2dhi s LEU 82 N 2.76 2.92 0.06 1.79 2.96 0.14 -1.63 118.68 127.68 2dhi s LEU 82 Ca 0.28 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 2dhi s LEU 82 Cb -0.14 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2dhi s LEU 82 CO 0.13 0.34 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.88 2dhi s GLN 83 N -0.90 0.64 -0.11 1.98 0.74 0.11 0.47 119.66 122.59 2dhi s GLN 83 Ca 0.13 -1.23 -0.04 0.00 0.05 0.00 0.00 55.36 54.27 2dhi s GLN 83 Cb -0.11 0.16 0.05 0.00 1.10 0.00 0.00 33.01 34.21 2dhi s GLN 83 CO 0.02 -0.10 0.09 0.42 -0.55 0.00 0.00 175.29 175.17 2dhi s ILE 84 N -3.88 -0.12 -0.06 -2.34 -1.09 -1.09 -2.48 121.20 110.14 2dhi s ILE 84 Ca 0.08 0.11 -0.26 0.00 -2.23 0.00 0.00 60.65 58.35 2dhi s ILE 84 Cb 0.08 -0.39 -0.03 0.00 -1.58 0.00 0.00 42.46 40.54 2dhi s ILE 84 CO -0.09 -0.06 0.80 -0.69 -1.23 0.00 0.00 174.94 173.66 2dhi s VAL 85 N 2.17 4.97 0.66 2.92 1.01 0.79 -2.66 120.40 130.26 2dhi s VAL 85 Ca 0.04 1.65 -0.01 0.00 0.00 0.00 0.00 61.98 63.66 2dhi s VAL 85 Cb -0.14 -4.14 0.13 0.00 0.00 0.00 0.00 36.38 32.23 2dhi s VAL 85 CO -0.07 0.19 0.90 0.00 0.00 0.00 0.00 175.10 176.13 2dhi h ARG 87 N 0.00 -0.29 0.28 0.00 3.08 -1.85 -3.38 114.38 112.22 2dhi h ARG 87 Ca -0.30 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 2dhi h ARG 87 Cb 1.09 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 2dhi h ARG 87 CO 0.32 -0.19 -0.33 0.22 -1.07 0.00 0.00 179.97 178.92 2dhi h ASP 88 N -0.69 -0.91 0.00 7.04 1.82 -1.97 -3.46 116.42 118.26 2dhi h ASP 88 Ca -0.03 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2dhi h ASP 88 Cb 0.23 0.31 0.00 0.00 0.68 0.00 0.00 39.33 40.55 2dhi h ASP 88 CO 0.05 -0.41 0.00 0.61 -1.61 0.00 0.00 179.24 177.88 2dhi n GLY 89 N -1.35 0.00 3.38 -0.78 0.00 -1.26 -5.12 105.19 100.06 2dhi n GLY 89 Ca -0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 2dhi n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dhi s LYS 90 N 0.00 2.94 -0.13 1.61 2.20 -1.26 -4.93 119.74 120.17 2dhi s LYS 90 Ca 0.00 -1.32 -0.15 0.00 -0.36 0.00 0.00 55.97 54.14 2dhi s LYS 90 Cb 0.00 -4.07 -0.05 0.00 -1.51 0.00 0.00 37.83 32.20 2dhi s LYS 90 CO 0.00 -0.98 0.34 0.99 -0.36 0.00 0.00 175.35 175.34 2dhi s THR 91 N 1.62 5.26 -0.22 3.43 2.01 -1.26 -2.81 115.64 123.66 2dhi s THR 91 Ca 0.04 0.66 -0.06 0.00 0.31 0.00 0.00 61.69 62.64 2dhi s THR 91 Cb -0.23 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2dhi s THR 91 CO 0.07 0.41 0.03 -0.63 -0.69 0.00 0.00 174.62 173.80 2dhi s ILE 92 N 0.26 4.15 -0.26 1.82 1.01 -1.09 -4.97 121.20 122.11 2dhi s ILE 92 Ca 0.19 -0.24 -0.18 0.00 0.00 0.00 0.00 60.65 60.43 2dhi s ILE 92 Cb -0.14 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 2dhi s ILE 92 CO 0.06 0.40 0.51 -0.44 0.00 0.00 0.00 174.94 175.47 2dhi s SER 93 N 1.19 6.43 0.14 3.58 0.01 -1.26 -2.67 113.70 121.12 2dhi s SER 93 Ca 0.04 0.52 0.05 0.00 1.31 0.00 0.00 55.95 57.87 2dhi s SER 93 Cb -0.14 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2dhi s SER 93 CO 0.02 -0.28 -0.12 -0.76 0.41 0.00 0.00 173.24 172.51 2dhi s LEU 94 N 2.27 2.47 0.01 2.44 1.43 0.18 -1.34 118.68 126.14 2dhi s LEU 94 Ca 0.21 -0.91 -0.05 0.00 -1.03 0.00 0.00 54.13 52.35 2dhi s LEU 94 Cb -0.16 -0.46 -0.01 0.00 0.03 0.00 0.00 46.19 45.60 2dhi s LEU 94 CO 0.09 -0.23 0.08 0.00 0.23 0.00 0.00 176.35 176.52 2dhi n ALA 96 N 1.52 0.55 -0.09 0.00 0.00 -0.03 -1.58 120.51 120.88 2dhi n ALA 96 Ca -0.23 -1.37 -0.08 0.00 0.00 0.00 0.00 53.44 51.76 2dhi n ALA 96 Cb 0.55 0.55 -0.15 0.00 0.00 0.00 0.00 19.45 20.41 2dhi n ALA 96 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dhi n GLU 97 N -1.34 0.94 -3.79 0.00 2.13 -1.26 -4.91 120.64 112.40 2dhi n GLU 97 Ca -0.00 -0.02 -0.13 0.00 0.66 0.00 0.00 57.16 57.67 2dhi n GLU 97 Cb 0.39 -1.48 -0.13 0.00 0.27 0.00 0.00 31.44 30.49 2dhi n GLU 97 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2dhi s SER 98 N -5.23 -0.14 0.37 4.31 0.15 -1.26 -4.99 113.70 106.90 2dhi s SER 98 Ca -0.09 0.31 0.21 0.00 0.70 0.00 0.00 55.95 57.07 2dhi s SER 98 Cb 0.06 0.26 1.33 0.00 -1.71 0.00 0.00 66.02 65.96 2dhi s SER 98 CO 0.77 -0.09 1.59 0.74 1.20 0.00 0.00 173.24 177.45 2dhi h THR 99 N 5.39 0.03 -0.74 6.45 2.02 -1.93 0.97 112.91 125.10 2dhi h THR 99 Ca -0.32 -0.01 0.09 0.00 0.77 0.00 0.00 66.41 66.94 2dhi h THR 99 Cb 1.18 -0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 67.51 2dhi h THR 99 CO 0.42 0.01 0.38 -2.24 0.37 0.00 0.00 175.52 174.46 2dhi h ASP 100 N 0.04 0.51 0.58 4.18 3.04 -1.96 -1.20 116.42 121.61 2dhi h ASP 100 Ca 0.84 0.06 -0.03 0.00 -3.24 0.00 0.00 57.03 54.66 2dhi h ASP 100 Cb 2.20 -0.03 0.01 0.00 -1.04 0.00 0.00 39.33 40.46 2dhi h ASP 100 CO -0.74 0.29 -0.28 -0.78 -2.04 0.00 0.00 179.24 175.69 2dhi h ASP 101 N 0.65 -0.66 -0.70 4.15 3.58 0.57 -1.93 116.42 122.08 2dhi h ASP 101 Ca 0.36 -0.04 0.15 0.00 0.42 0.00 0.00 57.03 57.92 2dhi h ASP 101 Cb 0.37 0.17 -0.12 0.00 1.72 0.00 0.00 39.33 41.46 2dhi h ASP 101 CO -0.26 -0.34 -0.05 0.00 -2.88 0.00 0.00 179.24 175.71 2dhi h LEU 103 N 0.07 1.10 -0.24 0.00 3.38 -1.19 -1.40 115.31 117.04 2dhi h LEU 103 Ca 0.36 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 2dhi h LEU 103 Cb 0.61 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2dhi h LEU 103 CO -0.64 0.81 0.09 0.00 0.09 0.00 0.00 178.44 178.79 2dhi h ALA 104 N 1.34 0.31 -0.17 1.53 0.00 0.18 -1.60 119.26 120.86 2dhi h ALA 104 Ca 0.35 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2dhi h ALA 104 Cb -0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2dhi h ALA 104 CO -0.07 -0.08 0.09 -1.49 0.00 0.00 0.00 179.25 177.69 2dhi h TRP 105 N 0.23 0.17 0.49 0.00 -0.00 -0.63 -1.03 115.95 115.19 2dhi h TRP 105 Ca 0.08 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.96 2dhi h TRP 105 Cb 0.19 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.16 29.28 2dhi h TRP 105 CO -0.01 0.10 -0.39 -0.22 -0.00 0.00 0.00 178.44 177.93 2dhi h LYS 106 N 0.19 -0.83 -0.94 0.49 3.64 -1.18 0.13 116.57 118.07 2dhi h LYS 106 Ca 0.06 0.06 0.16 0.00 -1.27 0.00 0.00 60.65 59.66 2dhi h LYS 106 Cb -0.00 0.19 -0.10 0.00 -0.41 0.00 0.00 32.23 31.91 2dhi h LYS 106 CO -0.03 -0.55 0.54 0.74 -2.27 0.00 0.00 179.45 177.87 2dhi h PHE 107 N -0.86 0.95 -0.21 1.91 0.04 -1.21 0.72 116.94 118.28 2dhi h PHE 107 Ca -0.05 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 2dhi h PHE 107 Cb 0.74 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 2dhi h PHE 107 CO -0.16 0.24 0.01 1.15 -0.60 0.00 0.00 178.31 178.94 2dhi h THR 108 N 0.73 1.25 -0.50 -1.55 2.02 -0.73 -1.15 112.91 112.98 2dhi h THR 108 Ca 0.52 -0.85 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 2dhi h THR 108 Cb 0.75 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 2dhi h THR 108 CO -0.36 0.26 0.23 -0.07 0.37 0.00 0.00 175.52 175.94 2dhi h LEU 109 N 0.13 0.63 -0.52 2.58 3.38 0.39 -0.84 115.31 121.06 2dhi h LEU 109 Ca 0.06 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2dhi h LEU 109 Cb 0.38 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2dhi h LEU 109 CO 0.01 0.55 -0.63 1.56 0.09 0.00 0.00 178.44 180.02 2dhi h GLN 110 N 0.70 0.40 0.00 1.13 1.08 -0.74 -2.93 115.11 114.76 2dhi h GLN 110 Ca 0.17 -0.28 -0.13 0.00 -1.45 0.00 0.00 58.65 56.96 2dhi h GLN 110 Cb 0.10 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 2dhi h GLN 110 CO -0.02 0.90 -0.63 0.22 -0.95 0.00 0.00 178.83 178.35 2dhi h ASP 111 N 0.29 0.00 1.37 1.46 3.58 -0.59 -2.94 116.42 119.59 2dhi h ASP 111 Ca -0.01 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 2dhi h ASP 111 Cb 1.17 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.22 2dhi h ASP 111 CO 0.11 0.63 -0.09 0.77 -2.88 0.00 0.00 179.24 177.79 2dhi h SER 112 N 0.00 0.00 -0.34 2.28 4.64 -1.08 -1.17 113.55 117.88 2dhi h SER 112 Ca -0.01 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.38 2dhi h SER 112 Cb 1.14 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.17 2dhi h SER 112 CO 0.08 0.09 -0.06 0.03 -0.87 0.00 0.00 176.83 176.10 2dhi h ARG 113 N 0.00 0.02 0.04 4.77 3.08 -1.33 -3.26 114.38 117.70 2dhi h ARG 113 Ca -0.00 -0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.66 2dhi h ARG 113 Cb 0.79 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 2dhi h ARG 113 CO 0.01 0.02 -2.33 -2.37 -1.07 0.00 0.00 179.97 174.23 2dhi n THR 114 N -5.25 1.58 -2.04 2.04 5.66 -1.23 -4.76 114.28 110.28 2dhi n THR 114 Ca 0.01 -0.58 -0.26 0.00 -3.05 0.00 0.00 64.05 60.16 2dhi n THR 114 Cb 0.19 -1.53 -0.05 0.00 -1.55 0.00 0.00 70.33 67.38 2dhi n THR 114 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2dhi s SER 115 N -6.71 5.09 -0.29 1.09 0.15 -0.45 -4.82 113.70 107.76 2dhi s SER 115 Ca -0.31 -0.79 -0.29 0.00 0.70 0.00 0.00 55.95 55.26 2dhi s SER 115 Cb 0.08 -2.56 0.19 0.00 -1.71 0.00 0.00 66.02 62.03 2dhi s SER 115 CO 0.65 -2.83 1.38 -0.83 1.20 0.00 0.00 173.24 172.81 2dhi s GLY 116 N 7.90 0.12 0.00 9.45 0.00 -1.26 -4.58 107.32 118.96 2dhi s GLY 116 Ca 0.70 2.92 0.14 0.00 0.00 0.00 0.00 44.72 48.49 2dhi s GLY 116 CO 0.01 1.18 1.42 -1.55 0.00 0.00 0.00 173.10 174.17 2dhi n PRO 117 N 0.60 0.13 -0.36 2.90 -0.04 -1.26 -3.81 135.00 133.15 2dhi n PRO 117 Ca -0.01 0.19 0.02 0.00 -0.04 0.00 0.00 63.50 63.66 2dhi n PRO 117 Cb 0.59 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.63 2dhi n PRO 117 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dhi n SER 118 N -1.37 -0.51 -4.73 3.54 7.64 -1.26 -4.14 113.62 112.79 2dhi n SER 118 Ca 0.06 1.68 -0.39 0.00 1.01 0.00 0.00 58.87 61.23 2dhi n SER 118 Cb 0.14 -0.44 -0.05 0.00 -1.01 0.00 0.00 64.21 62.84 2dhi n SER 118 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dhi s SER 119 N -5.31 6.85 0.00 6.43 1.04 -1.25 -5.23 113.70 116.23 2dhi s SER 119 Ca -0.14 1.02 0.00 0.00 0.48 0.00 0.00 55.95 57.31 2dhi s SER 119 Cb 0.23 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 64.00 2dhi s SER 119 CO 0.72 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.52