#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhi n SER 2 N 0.00 2.79 -4.77 1.61 7.64 -1.26 -4.89 113.62 114.75 2dhi n SER 2 Ca 0.00 1.04 -0.41 0.00 1.01 0.00 0.00 58.87 60.51 2dhi n SER 2 Cb 0.00 -1.26 -0.02 0.00 -1.01 0.00 0.00 64.21 61.92 2dhi n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dhi s SER 3 N 3.30 6.76 0.00 6.43 0.15 -1.26 -4.93 113.70 124.15 2dhi s SER 3 Ca 0.94 2.70 0.00 0.00 0.70 0.00 0.00 55.95 60.28 2dhi s SER 3 Cb -0.88 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 60.78 2dhi s SER 3 CO 0.56 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2dhi n GLY 4 N 0.86 4.38 3.96 9.45 0.00 -1.26 -5.14 105.19 117.43 2dhi n GLY 4 Ca 0.00 -1.50 -0.26 0.00 0.00 0.00 0.00 46.02 44.26 2dhi n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dhi s SER 5 N 0.00 4.05 -0.56 1.61 0.15 -1.26 -5.04 113.70 112.65 2dhi s SER 5 Ca 0.00 0.02 -0.16 0.00 0.70 0.00 0.00 55.95 56.51 2dhi s SER 5 Cb 0.00 -0.36 0.14 0.00 -1.71 0.00 0.00 66.02 64.09 2dhi s SER 5 CO 0.00 -2.08 0.52 -0.44 1.20 0.00 0.00 173.24 172.44 2dhi s SER 6 N -4.74 6.23 0.08 5.45 0.01 -1.26 -5.04 113.70 114.44 2dhi s SER 6 Ca 0.67 -1.85 -0.37 0.00 1.31 0.00 0.00 55.95 55.71 2dhi s SER 6 Cb -0.06 -2.21 -0.17 0.00 0.21 0.00 0.00 66.02 63.79 2dhi s SER 6 CO 0.47 -0.84 1.23 0.61 0.41 0.00 0.00 173.24 175.12 2dhi n GLY 7 N 5.16 0.17 3.78 3.44 0.00 -1.26 -4.93 105.19 111.56 2dhi n GLY 7 Ca -0.12 0.69 -0.37 0.00 0.00 0.00 0.00 46.02 46.21 2dhi n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dhi s PHE 8 N 0.24 3.56 0.08 1.61 0.08 -1.26 -4.21 117.98 118.08 2dhi s PHE 8 Ca 0.84 0.74 -0.29 0.00 0.12 0.00 0.00 56.93 58.34 2dhi s PHE 8 Cb -1.02 -2.30 -0.13 0.00 -0.57 0.00 0.00 43.02 39.01 2dhi s PHE 8 CO 0.50 0.42 1.46 0.28 -0.10 0.00 0.00 175.22 177.78 2dhi h VAL 9 N 4.31 0.00 -3.96 -0.44 2.07 0.92 -3.44 116.25 115.70 2dhi h VAL 9 Ca -0.46 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 66.76 2dhi h VAL 9 Cb 1.19 0.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.74 2dhi h VAL 9 CO 0.69 0.00 -0.74 -0.75 0.02 0.00 0.00 177.57 176.79 2dhi s LYS 10 N -5.30 0.56 -0.07 1.57 2.20 -1.25 -4.98 119.74 112.46 2dhi s LYS 10 Ca -0.14 -0.70 -0.04 0.00 -0.36 0.00 0.00 55.97 54.73 2dhi s LYS 10 Cb 0.05 -0.39 0.03 0.00 -1.51 0.00 0.00 37.83 36.00 2dhi s LYS 10 CO 0.50 0.08 0.17 -1.54 -0.36 0.00 0.00 175.35 174.20 2dhi s SER 11 N -1.38 -0.16 0.08 1.43 1.04 -1.26 -1.80 113.70 111.65 2dhi s SER 11 Ca -0.07 0.35 -0.26 0.00 0.48 0.00 0.00 55.95 56.44 2dhi s SER 11 Cb -0.09 0.28 0.08 0.00 0.10 0.00 0.00 66.02 66.39 2dhi s SER 11 CO 0.01 -0.12 0.84 -0.83 0.98 0.00 0.00 173.24 174.12 2dhi s GLY 12 N 0.77 -0.42 0.03 7.32 0.00 -1.21 -5.05 107.32 108.77 2dhi s GLY 12 Ca -0.06 0.62 -0.30 0.00 0.00 0.00 0.00 44.72 44.98 2dhi s GLY 12 CO -0.04 0.20 1.04 -0.98 0.00 0.00 0.00 173.10 173.31 2dhi s TRP 13 N -3.33 3.61 -0.02 1.90 0.52 -1.26 -3.21 118.94 117.15 2dhi s TRP 13 Ca 0.06 1.60 -0.16 0.00 0.02 0.00 0.00 56.10 57.63 2dhi s TRP 13 Cb -0.01 -3.19 0.03 0.00 -1.15 0.00 0.00 33.47 29.14 2dhi s TRP 13 CO -0.06 -0.33 0.33 -0.51 0.02 0.00 0.00 176.95 176.41 2dhi s LEU 14 N 0.91 0.75 0.35 2.99 1.43 -0.92 -4.48 118.68 119.71 2dhi s LEU 14 Ca 0.53 0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.72 2dhi s LEU 14 Cb -0.24 1.34 -0.06 0.00 0.03 0.00 0.00 46.19 47.27 2dhi s LEU 14 CO 0.29 -0.44 0.66 -0.76 0.23 0.00 0.00 176.35 176.33 2dhi s LEU 15 N -1.24 3.94 -0.04 1.79 1.43 -0.97 -0.15 118.68 123.44 2dhi s LEU 15 Ca -0.13 0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 53.87 2dhi s LEU 15 Cb -0.05 -3.77 0.03 0.00 0.03 0.00 0.00 46.19 42.44 2dhi s LEU 15 CO 0.04 -0.30 0.09 -0.60 0.23 0.00 0.00 176.35 175.81 2dhi s ARG 16 N -3.73 0.02 -0.50 1.70 3.52 0.15 -2.18 118.95 117.93 2dhi s ARG 16 Ca 0.47 0.29 -0.21 0.00 -0.13 0.00 0.00 55.73 56.15 2dhi s ARG 16 Cb -0.10 -0.22 0.04 0.00 -1.56 0.00 0.00 34.95 33.11 2dhi s ARG 16 CO 0.31 -0.17 0.71 -1.14 -0.81 0.00 0.00 175.30 174.20 2dhi s GLN 17 N 1.17 3.22 0.96 5.12 0.74 -0.92 -1.73 119.66 128.21 2dhi s GLN 17 Ca -0.09 -0.59 -0.16 0.00 0.05 0.00 0.00 55.36 54.57 2dhi s GLN 17 Cb -0.12 -4.05 0.20 0.00 1.10 0.00 0.00 33.01 30.14 2dhi s GLN 17 CO -0.04 -1.23 1.31 0.45 -0.55 0.00 0.00 175.29 175.23 2dhi s SER 18 N 2.55 3.15 -0.00 6.67 0.15 -1.23 -4.56 113.70 120.42 2dhi s SER 18 Ca 0.21 0.30 0.22 0.00 0.70 0.00 0.00 55.95 57.38 2dhi s SER 18 Cb -0.16 -0.37 -0.22 0.00 -1.71 0.00 0.00 66.02 63.57 2dhi s SER 18 CO 0.16 -2.71 0.77 0.41 1.20 0.00 0.00 173.24 173.06 2dhi n THR 19 N -3.76 0.03 -0.11 6.45 -1.04 -1.26 -3.31 114.28 111.29 2dhi n THR 19 Ca 0.15 -0.24 -0.16 0.00 -2.04 0.00 0.00 64.05 61.76 2dhi n THR 19 Cb 0.59 0.47 -0.13 0.00 -1.82 0.00 0.00 70.33 69.44 2dhi n THR 19 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2dhi n ILE 20 N -1.88 1.50 0.61 12.58 -0.00 -1.26 -4.35 119.36 126.56 2dhi n ILE 20 Ca 0.01 -0.66 0.12 0.00 -0.00 0.00 0.00 62.75 62.22 2dhi n ILE 20 Cb 0.44 -1.20 0.23 0.00 -0.00 0.00 0.00 39.64 39.11 2dhi n ILE 20 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 2dhi n LEU 21 N -3.15 0.71 -4.22 1.39 4.32 -1.26 -4.95 117.00 109.84 2dhi n LEU 21 Ca -0.40 0.30 -0.31 0.00 -0.02 0.00 0.00 56.01 55.58 2dhi n LEU 21 Cb 1.04 -0.22 -0.09 0.00 -1.62 0.00 0.00 43.42 42.53 2dhi n LEU 21 CO 0.33 -0.07 -0.40 0.29 -1.22 0.00 0.00 177.39 176.32 2dhi n LYS 22 N -2.11 -0.91 -3.64 3.23 4.76 -1.21 -4.87 118.16 113.42 2dhi n LYS 22 Ca 0.04 0.09 -0.07 0.00 -2.87 0.00 0.00 58.31 55.51 2dhi n LYS 22 Cb 0.43 -3.52 -0.02 0.00 -1.84 0.00 0.00 35.03 30.09 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 -7.04 1.14 -0.24 1.97 1.70 -1.26 -5.01 118.95 110.21 2dhi s ARG 23 Ca 0.13 -0.55 -0.28 0.00 -0.47 0.00 0.00 55.73 54.57 2dhi s ARG 23 Cb -0.08 0.44 0.01 0.00 -0.57 0.00 0.00 34.95 34.75 2dhi s ARG 23 CO 0.94 -0.51 0.99 -1.58 -1.08 0.00 0.00 175.30 174.05 2dhi s TRP 24 N -3.36 3.32 -0.06 5.89 0.52 -1.26 -3.53 118.94 120.46 2dhi s TRP 24 Ca 0.08 1.35 0.06 0.00 0.02 0.00 0.00 56.10 57.61 2dhi s TRP 24 Cb -0.02 -3.25 -0.01 0.00 -1.15 0.00 0.00 33.47 29.05 2dhi s TRP 24 CO -0.03 -0.48 -0.23 -1.59 0.02 0.00 0.00 176.95 174.64 2dhi s LYS 25 N 3.14 2.40 0.23 4.98 -2.85 -0.71 -4.86 119.74 122.07 2dhi s LYS 25 Ca 0.42 -0.83 -0.30 0.00 -1.00 0.00 0.00 55.97 54.26 2dhi s LYS 25 Cb -0.15 -2.02 -0.09 0.00 -2.06 0.00 0.00 37.83 33.51 2dhi s LYS 25 CO 0.07 0.33 1.31 0.21 0.10 0.00 0.00 175.35 177.37 2dhi s LYS 26 N -0.08 4.39 0.24 1.78 2.47 -1.26 0.30 119.74 127.58 2dhi s LYS 26 Ca -0.05 2.08 -0.05 0.00 -1.56 0.00 0.00 55.97 56.40 2dhi s LYS 26 Cb -0.14 -3.17 -0.02 0.00 -1.46 0.00 0.00 37.83 33.04 2dhi s LYS 26 CO 0.04 -0.23 0.30 -0.80 0.16 0.00 0.00 175.35 174.81 2dhi s ASN 27 N 0.16 0.26 -0.22 1.43 -0.87 0.78 -4.86 114.94 111.62 2dhi s ASN 27 Ca 0.55 -1.27 -0.05 0.00 -1.57 0.00 0.00 52.86 50.52 2dhi s ASN 27 Cb -0.37 0.49 -0.02 0.00 -0.02 0.00 0.00 41.25 41.34 2dhi s ASN 27 CO 0.41 -1.01 -0.01 0.86 -2.57 0.00 0.00 177.10 174.78 2dhi s TRP 28 N -3.94 3.00 0.08 2.20 -0.11 -0.98 -2.17 118.94 117.02 2dhi s TRP 28 Ca 0.33 -0.73 0.04 0.00 1.22 0.00 0.00 56.10 56.95 2dhi s TRP 28 Cb 0.03 -2.13 -0.04 0.00 -1.50 0.00 0.00 33.47 29.83 2dhi s TRP 28 CO 0.13 -0.45 0.06 -0.06 -4.62 0.00 0.00 176.95 172.01 2dhi s PHE 29 N 1.42 3.13 -0.23 5.86 0.40 -1.20 0.37 117.98 127.73 2dhi s PHE 29 Ca 0.05 0.05 -0.05 0.00 -0.60 0.00 0.00 56.93 56.38 2dhi s PHE 29 Cb -0.14 -1.60 0.12 0.00 0.51 0.00 0.00 43.02 41.91 2dhi s PHE 29 CO -0.01 0.51 0.42 -0.51 0.70 0.00 0.00 175.22 176.34 2dhi s ASP 30 N -2.37 -0.17 0.20 1.36 1.01 -0.86 -3.29 116.67 112.55 2dhi s ASP 30 Ca 0.28 0.70 -0.19 0.00 0.71 0.00 0.00 52.55 54.05 2dhi s ASP 30 Cb -0.12 1.35 -0.08 0.00 1.01 0.00 0.00 42.92 45.08 2dhi s ASP 30 CO 0.21 -0.26 0.69 -0.22 0.21 0.00 0.00 175.17 175.80 2dhi s LEU 31 N 2.61 4.36 0.40 1.23 2.96 -0.74 -2.00 118.68 127.51 2dhi s LEU 31 Ca 0.06 1.36 0.05 0.00 -0.22 0.00 0.00 54.13 55.38 2dhi s LEU 31 Cb -0.14 -3.49 0.00 0.00 0.50 0.00 0.00 46.19 43.06 2dhi s LEU 31 CO -0.15 0.06 0.57 0.26 -1.32 0.00 0.00 176.35 175.77 2dhi s TRP 32 N -1.48 3.03 0.28 5.38 0.52 0.22 0.14 118.94 127.02 2dhi s TRP 32 Ca 0.41 -0.15 0.16 0.00 0.02 0.00 0.00 56.10 56.54 2dhi s TRP 32 Cb -0.17 -2.24 0.68 0.00 -1.15 0.00 0.00 33.47 30.59 2dhi s TRP 32 CO 0.21 -0.29 1.76 1.03 0.02 0.00 0.00 176.95 179.68 2dhi h SER 33 N 0.63 0.00 -0.05 2.95 0.87 -1.85 -2.30 113.55 113.80 2dhi h SER 33 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2dhi h SER 33 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 2dhi h SER 33 CO 0.52 0.41 0.00 -0.90 -0.53 0.00 0.00 176.83 176.33 2dhi n ASP 34 N -3.78 0.82 0.00 6.23 5.68 -1.26 -4.88 116.55 119.35 2dhi n ASP 34 Ca -0.01 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.86 2dhi n ASP 34 Cb 0.48 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 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 1.03 3.37 3.69 6.12 0.00 -0.87 -4.96 105.19 113.57 2dhi n GLY 35 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.63 2.40 -4.98 1.61 8.25 -1.26 -3.61 115.22 115.99 2dhi n HIS 36 Ca 0.00 0.35 -0.32 0.00 -0.26 0.00 0.00 57.72 57.48 2dhi n HIS 36 Cb 0.00 -2.52 -0.16 0.00 1.12 0.00 0.00 29.99 28.44 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 0.05 2.39 -0.03 2.41 2.96 -0.24 0.69 118.68 126.91 2dhi s LEU 37 Ca 0.68 -0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 54.14 2dhi s LEU 37 Cb -0.60 -1.51 0.03 0.00 0.50 0.00 0.00 46.19 44.61 2dhi s LEU 37 CO 0.47 0.16 0.02 -0.63 -1.32 0.00 0.00 176.35 175.06 2dhi s ILE 38 N 0.37 0.03 0.14 6.68 1.01 -0.85 -1.01 121.20 127.57 2dhi s ILE 38 Ca -0.15 0.21 0.09 0.00 0.00 0.00 0.00 60.65 60.80 2dhi s ILE 38 Cb -0.17 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 2dhi s ILE 38 CO 0.07 0.13 -0.15 -0.72 0.00 0.00 0.00 174.94 174.27 2dhi s TYR 39 N 1.28 2.58 0.47 3.97 1.13 -1.18 -2.04 117.35 123.56 2dhi s TYR 39 Ca -0.06 -0.24 0.06 0.00 -1.41 0.00 0.00 57.07 55.42 2dhi s TYR 39 Cb -0.13 -1.33 -0.02 0.00 -1.10 0.00 0.00 41.96 39.38 2dhi s TYR 39 CO -0.03 0.43 0.24 0.71 -2.51 0.00 0.00 175.55 174.40 2dhi s TYR 40 N -1.33 2.20 0.21 -3.49 1.51 0.16 -1.21 117.35 115.39 2dhi s TYR 40 Ca 0.21 -0.71 -0.06 0.00 -1.01 0.00 0.00 57.07 55.49 2dhi s TYR 40 Cb -0.10 -1.91 0.17 0.00 -0.11 0.00 0.00 41.96 40.01 2dhi s TYR 40 CO 0.12 -0.04 1.68 0.22 -1.11 0.00 0.00 175.55 176.42 2dhi h ASP 41 N 1.17 0.93 -2.49 2.29 3.58 -1.78 -2.61 116.42 117.51 2dhi h ASP 41 Ca -0.41 -0.26 0.07 0.00 0.42 0.00 0.00 57.03 56.85 2dhi h ASP 41 Cb 1.28 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 2dhi h ASP 41 CO 0.66 1.00 0.41 0.47 -2.88 0.00 0.00 179.24 178.90 2dhi n ASP 42 N -4.18 -1.74 -0.46 2.28 8.00 -1.26 -4.44 116.55 114.75 2dhi n ASP 42 Ca 0.02 -2.05 0.41 0.00 0.71 0.00 0.00 54.79 53.88 2dhi n ASP 42 Cb 0.35 2.86 0.67 0.00 -0.02 0.00 0.00 41.12 44.99 2dhi n ASP 42 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 2dhi h GLN 43 N 0.00 0.00 -1.34 -1.24 -0.00 -1.95 0.18 115.11 110.76 2dhi h GLN 43 Ca -0.26 0.00 0.43 0.00 -0.00 0.00 0.00 58.65 58.81 2dhi h GLN 43 Cb 1.08 0.00 -0.12 0.00 -0.00 0.00 0.00 27.48 28.44 2dhi h GLN 43 CO 0.34 0.00 0.88 1.79 -0.00 0.00 0.00 178.83 181.84 2dhi h THR 44 N 0.00 0.16 -3.44 1.86 1.35 -1.98 -3.43 112.91 107.43 2dhi h THR 44 Ca 0.71 -0.04 -0.17 0.00 -0.55 0.00 0.00 66.41 66.36 2dhi h THR 44 Cb 3.22 0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 69.66 2dhi h THR 44 CO -0.01 0.02 -0.20 0.54 -0.25 0.00 0.00 175.52 175.62 2dhi n ARG 45 N -4.60 -2.10 -0.02 4.72 1.74 0.63 -4.70 116.66 112.32 2dhi n ARG 45 Ca 0.36 0.44 -0.02 0.00 -0.77 0.00 0.00 57.85 57.86 2dhi n ARG 45 Cb 1.42 -4.90 -0.03 0.00 -1.02 0.00 0.00 32.46 27.93 2dhi n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dhi n GLN 46 N -2.39 2.58 -3.23 5.56 10.64 -1.26 -4.84 117.38 124.45 2dhi n GLN 46 Ca -0.10 0.01 -0.44 0.00 -1.83 0.00 0.00 57.00 54.63 2dhi n GLN 46 Cb 0.49 -1.09 0.00 0.00 -0.86 0.00 0.00 30.24 28.78 2dhi n GLN 46 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2dhi n SER 47 N -2.26 5.78 -4.66 2.61 7.64 -1.26 -5.02 113.62 116.45 2dhi n SER 47 Ca -0.07 -3.15 -0.54 0.00 1.01 0.00 0.00 58.87 56.13 2dhi n SER 47 Cb 0.61 -1.35 -0.06 0.00 -1.01 0.00 0.00 64.21 62.40 2dhi n SER 47 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2dhi n ILE 48 N 2.32 0.19 -0.02 0.44 5.41 -1.26 -2.37 119.36 124.06 2dhi n ILE 48 Ca 0.25 -0.03 -0.01 0.00 1.00 0.00 0.00 62.75 63.96 2dhi n ILE 48 Cb 0.37 -1.14 -0.00 0.00 -0.71 0.00 0.00 39.64 38.16 2dhi n ILE 48 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2dhi h GLU 49 N 6.22 -0.06 -3.44 0.38 4.39 -1.43 -3.46 114.58 117.19 2dhi h GLU 49 Ca -0.47 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.11 2dhi h GLU 49 Cb 1.32 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.95 2dhi h GLU 49 CO 0.88 -0.04 0.10 0.34 -1.16 0.00 0.00 179.01 179.13 2dhi s ASP 50 N -5.36 0.37 -0.07 1.42 -1.08 -1.18 -5.06 116.67 105.71 2dhi s ASP 50 Ca -0.01 -1.29 -0.05 0.00 -0.52 0.00 0.00 52.55 50.69 2dhi s ASP 50 Cb 0.00 0.78 0.03 0.00 -1.46 0.00 0.00 42.92 42.28 2dhi s ASP 50 CO 0.03 -1.55 0.18 -0.75 0.52 0.00 0.00 175.17 173.60 2dhi s LYS 51 N -2.58 0.16 -0.16 4.34 2.20 -1.26 -3.13 119.74 119.31 2dhi s LYS 51 Ca 0.21 0.36 -0.16 0.00 -0.36 0.00 0.00 55.97 56.02 2dhi s LYS 51 Cb -0.03 -0.06 0.04 0.00 -1.51 0.00 0.00 37.83 36.27 2dhi s LYS 51 CO 0.15 -0.11 0.46 0.08 -0.36 0.00 0.00 175.35 175.56 2dhi s VAL 52 N 0.79 0.00 0.61 4.02 1.01 -0.18 -5.03 120.40 121.62 2dhi s VAL 52 Ca -0.06 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 2dhi s VAL 52 Cb -0.07 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.69 2dhi s VAL 52 CO -0.04 -0.01 0.91 -2.28 0.00 0.00 0.00 175.10 173.68 2dhi s HIS 53 N 0.16 3.12 -0.00 5.22 2.46 -1.26 -1.08 115.29 123.90 2dhi s HIS 53 Ca -0.01 0.51 -0.00 0.00 0.47 0.00 0.00 55.06 56.03 2dhi s HIS 53 Cb -0.03 -2.86 -0.00 0.00 -0.13 0.00 0.00 32.58 29.56 2dhi s HIS 53 CO 0.01 -0.98 -0.00 -1.33 -2.47 0.00 0.00 174.74 169.96 2dhi n MET 54 N -2.64 0.01 0.00 2.88 2.81 -1.24 -2.33 117.12 116.61 2dhi n MET 54 Ca 0.06 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.00 2dhi n MET 54 Cb 0.59 -0.45 0.29 0.00 -0.71 0.00 0.00 33.22 32.94 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 -2.53 0.49 0.02 0.03 -0.04 -1.26 -1.25 135.00 130.46 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 0.01 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 -0.82 0.33 -0.08 0.52 0.31 -1.26 -4.91 118.33 112.42 2dhi n VAL 56 Ca 0.07 0.11 -0.11 0.00 -0.01 0.00 0.00 64.34 64.40 2dhi n VAL 56 Cb 0.03 -1.45 -0.07 0.00 -0.91 0.00 0.00 33.84 31.45 2dhi n VAL 56 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2dhi h ASP 57 N 0.00 0.00 -2.64 4.52 3.32 -1.59 -3.45 116.42 116.59 2dhi h ASP 57 Ca 0.00 -0.35 -0.57 0.00 0.02 0.00 0.00 57.03 56.13 2dhi h ASP 57 Cb 0.66 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 2dhi h ASP 57 CO 0.00 1.00 1.24 0.00 -1.72 0.00 0.00 179.24 179.76 2dhi n ILE 59 N 7.01 1.63 -3.89 0.00 -5.35 -0.35 -4.43 119.36 113.98 2dhi n ILE 59 Ca 0.22 -0.77 -0.09 0.00 -0.27 0.00 0.00 62.75 61.83 2dhi n ILE 59 Cb 0.46 -1.14 -0.08 0.00 -1.74 0.00 0.00 39.64 37.14 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 -6.23 0.14 -0.16 7.28 3.84 -1.15 -5.06 114.94 113.60 2dhi s ASN 60 Ca -0.08 -0.57 -0.00 0.00 0.21 0.00 0.00 52.86 52.42 2dhi s ASN 60 Cb 0.08 0.29 0.04 0.00 -0.55 0.00 0.00 41.25 41.10 2dhi s ASN 60 CO 0.81 -0.62 -0.07 -0.63 -2.79 0.00 0.00 177.10 173.80 2dhi s ILE 61 N -3.20 1.25 -0.05 -5.21 1.01 -1.26 -1.70 121.20 112.04 2dhi s ILE 61 Ca -0.00 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.00 2dhi s ILE 61 Cb 0.02 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 2dhi s ILE 61 CO -0.07 0.19 -0.09 -0.13 0.00 0.00 0.00 174.94 174.83 2dhi s ARG 62 N 1.58 2.63 0.03 2.79 0.52 -1.02 -5.02 118.95 120.46 2dhi s ARG 62 Ca 0.01 -0.63 0.05 0.00 -0.52 0.00 0.00 55.73 54.64 2dhi s ARG 62 Cb -0.15 -2.50 -0.02 0.00 0.52 0.00 0.00 34.95 32.80 2dhi s ARG 62 CO -0.08 0.64 -0.14 0.95 0.02 0.00 0.00 175.30 176.69 2dhi s THR 63 N -0.81 1.12 0.00 0.02 -4.23 -1.26 -0.88 115.64 109.59 2dhi s THR 63 Ca 0.13 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 2dhi s THR 63 Cb -0.11 -1.01 0.00 0.00 1.34 0.00 0.00 72.50 72.72 2dhi s THR 63 CO 0.02 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 2dhi n GLY 64 N 1.97 3.58 0.29 3.99 0.00 -1.08 -2.00 105.19 111.93 2dhi n GLY 64 Ca -0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 2dhi n GLY 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2dhi h HIS 65 N 0.00 0.84 -0.93 1.61 3.86 -1.93 -2.41 115.15 116.19 2dhi h HIS 65 Ca 0.00 0.03 0.23 0.00 -1.16 0.00 0.00 60.37 59.47 2dhi h HIS 65 Cb 0.00 -0.27 -0.17 0.00 1.06 0.00 0.00 27.41 28.03 2dhi h HIS 65 CO 0.00 0.42 -0.05 0.93 0.86 0.00 0.00 177.93 180.10 2dhi h GLU 66 N 0.84 0.03 -6.56 2.45 5.08 -1.78 -3.41 114.58 111.23 2dhi h GLU 66 Ca 0.33 -0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 58.27 2dhi h GLU 66 Cb 0.16 -0.01 0.22 0.00 0.50 0.00 0.00 28.75 29.62 2dhi h GLU 66 CO -0.17 0.02 -1.02 0.00 -1.00 0.00 0.00 179.01 176.84 2dhi n ARG 68 N -1.97 -1.84 -0.54 0.00 1.74 -1.26 -4.72 116.66 108.06 2dhi n ARG 68 Ca 0.02 -0.47 -0.01 0.00 -0.77 0.00 0.00 57.85 56.61 2dhi n ARG 68 Cb 0.59 -0.74 -0.02 0.00 -1.02 0.00 0.00 32.46 31.27 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 -2.72 5.14 -3.03 0.55 9.92 -1.26 -4.86 116.55 120.29 2dhi n ASP 69 Ca 0.04 -2.37 -0.13 0.00 -0.53 0.00 0.00 54.79 51.80 2dhi n ASP 69 Cb 0.20 -1.12 0.08 0.00 -0.64 0.00 0.00 41.12 39.63 2dhi n ASP 69 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 2dhi n ILE 70 N 1.64 0.00 -3.83 0.53 -5.35 -1.26 -5.12 119.36 105.97 2dhi n ILE 70 Ca 0.05 -0.58 -0.12 0.00 -0.27 0.00 0.00 62.75 61.83 2dhi n ILE 70 Cb 0.53 -1.53 -0.12 0.00 -1.74 0.00 0.00 39.64 36.78 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 -4.14 0.24 0.69 6.28 0.00 -1.26 -5.11 119.66 116.37 2dhi s GLN 71 Ca 0.35 0.07 -0.14 0.00 -0.00 0.00 0.00 55.36 55.64 2dhi s GLN 71 Cb -0.01 0.11 0.02 0.00 0.00 0.00 0.00 33.01 33.13 2dhi s GLN 71 CO 0.24 -0.04 1.10 -1.25 0.00 0.00 0.00 175.29 175.34 2dhi s PRO 72 N -0.25 2.63 0.98 9.60 0.04 -1.26 -5.03 135.00 141.70 2dhi s PRO 72 Ca -0.03 1.32 -0.12 0.00 0.04 0.00 0.00 61.00 62.21 2dhi s PRO 72 Cb -0.03 -1.93 0.18 0.00 0.04 0.00 0.00 34.50 32.76 2dhi s PRO 72 CO 0.00 -1.37 1.09 -1.25 0.04 0.00 0.00 177.00 175.51 2dhi s PRO 73 N -4.34 0.60 -0.37 0.56 0.04 -1.26 -4.94 135.00 125.29 2dhi s PRO 73 Ca 0.65 0.58 -0.29 0.00 0.04 0.00 0.00 61.00 61.99 2dhi s PRO 73 Cb -0.20 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2dhi s PRO 73 CO 0.46 -2.63 1.49 -0.51 0.04 0.00 0.00 177.00 175.85 2dhi s ASP 74 N -3.45 6.29 0.00 6.66 1.01 -1.26 -2.61 116.67 123.32 2dhi s ASP 74 Ca 0.65 1.03 0.00 0.00 0.71 0.00 0.00 52.55 54.94 2dhi s ASP 74 Cb -0.18 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.21 2dhi s ASP 74 CO 0.57 -1.43 0.00 0.61 0.21 0.00 0.00 175.17 175.13 2dhi n GLY 75 N 5.02 1.00 2.85 0.21 0.00 -1.26 -5.10 105.19 107.91 2dhi n GLY 75 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.28 0.12 0.15 1.61 -0.14 -1.07 -5.10 119.74 115.02 2dhi s LYS 76 Ca 0.00 0.02 -0.03 0.00 -1.36 0.00 0.00 55.97 54.61 2dhi s LYS 76 Cb 0.00 -0.21 0.04 0.00 -1.68 0.00 0.00 37.83 35.98 2dhi s LYS 76 CO 0.00 -0.04 0.13 -0.35 -0.76 0.00 0.00 175.35 174.33 2dhi n PRO 77 N 3.48 -1.28 0.04 -1.68 -0.04 -1.26 -4.36 135.00 129.90 2dhi n PRO 77 Ca -0.18 -0.21 0.11 0.00 -0.04 0.00 0.00 63.50 63.18 2dhi n PRO 77 Cb 0.56 -0.20 -0.09 0.00 -0.04 0.00 0.00 33.50 33.72 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 -1.92 0.62 0.19 0.54 0.63 -1.26 -4.12 116.66 111.34 2dhi n ARG 78 Ca 0.02 -0.06 0.04 0.00 -0.92 0.00 0.00 57.85 56.93 2dhi n ARG 78 Cb 0.07 -1.65 0.39 0.00 0.45 0.00 0.00 32.46 31.72 2dhi n ARG 78 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 2dhi h ASP 79 N 0.00 0.00 -0.26 6.15 3.04 -1.95 -2.36 116.42 121.04 2dhi h ASP 79 Ca 0.00 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.76 2dhi h ASP 79 Cb 0.99 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.26 2dhi h ASP 79 CO 0.00 0.35 0.04 0.00 -2.04 0.00 0.00 179.24 177.59 2dhi s LEU 81 N -1.16 4.41 -0.06 0.00 1.43 -0.89 0.30 118.68 122.72 2dhi s LEU 81 Ca 0.22 0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 54.14 2dhi s LEU 81 Cb 0.17 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 43.91 2dhi s LEU 81 CO 0.06 0.26 0.02 -0.22 0.23 0.00 0.00 176.35 176.70 2dhi s LEU 82 N -0.65 0.58 0.04 1.79 2.96 0.50 -2.64 118.68 121.27 2dhi s LEU 82 Ca 0.22 -0.03 0.09 0.00 -0.22 0.00 0.00 54.13 54.18 2dhi s LEU 82 Cb -0.15 -0.33 -0.03 0.00 0.50 0.00 0.00 46.19 46.18 2dhi s LEU 82 CO 0.11 -0.19 -0.25 -1.58 -1.32 0.00 0.00 176.35 173.12 2dhi s GLN 83 N 1.84 1.74 -0.34 1.98 0.74 -0.06 0.65 119.66 126.21 2dhi s GLN 83 Ca 0.02 -1.06 0.03 0.00 0.05 0.00 0.00 55.36 54.40 2dhi s GLN 83 Cb -0.12 -1.89 0.10 0.00 1.10 0.00 0.00 33.01 32.19 2dhi s GLN 83 CO -0.04 0.49 0.05 0.42 -0.55 0.00 0.00 175.29 175.66 2dhi s ILE 84 N -0.78 2.38 -0.36 -2.34 -1.09 -0.69 -2.44 121.20 115.87 2dhi s ILE 84 Ca 0.11 -2.23 -0.29 0.00 -2.23 0.00 0.00 60.65 56.01 2dhi s ILE 84 Cb -0.10 -2.70 -0.00 0.00 -1.58 0.00 0.00 42.46 38.08 2dhi s ILE 84 CO 0.02 -0.54 1.50 -0.69 -1.23 0.00 0.00 174.94 173.99 2dhi s VAL 85 N 0.95 3.83 0.58 2.92 1.01 -0.69 -2.75 120.40 126.25 2dhi s VAL 85 Ca 0.08 0.87 -0.10 0.00 0.00 0.00 0.00 61.98 62.84 2dhi s VAL 85 Cb -0.19 -4.03 0.14 0.00 0.00 0.00 0.00 36.38 32.30 2dhi s VAL 85 CO -0.07 -0.60 0.58 0.00 0.00 0.00 0.00 175.10 175.01 2dhi n ARG 87 N -2.95 0.43 -3.82 0.00 1.74 -0.96 -4.17 116.66 106.93 2dhi n ARG 87 Ca 0.08 -1.54 -0.25 0.00 -0.77 0.00 0.00 57.85 55.37 2dhi n ARG 87 Cb 0.29 -3.20 -0.03 0.00 -1.02 0.00 0.00 32.46 28.49 2dhi n ARG 87 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2dhi n ASP 88 N 13.25 -0.70 0.00 0.55 5.68 -1.26 -4.61 116.55 129.46 2dhi n ASP 88 Ca 0.45 -0.87 0.00 0.00 -0.50 0.00 0.00 54.79 53.88 2dhi n ASP 88 Cb 0.44 -1.06 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 2dhi n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dhi n GLY 89 N -1.93 0.17 3.30 6.12 0.00 -1.26 -5.15 105.19 106.44 2dhi n GLY 89 Ca -0.16 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.00 1.51 -0.28 1.61 2.20 -1.26 -5.05 119.74 117.47 2dhi s LYS 90 Ca 0.00 -1.85 -0.18 0.00 -0.36 0.00 0.00 55.97 53.58 2dhi s LYS 90 Cb 0.00 0.01 0.08 0.00 -1.51 0.00 0.00 37.83 36.41 2dhi s LYS 90 CO 0.00 -0.44 0.70 0.99 -0.36 0.00 0.00 175.35 176.24 2dhi s THR 91 N -3.72 0.00 -0.15 3.43 2.01 -1.26 -1.47 115.64 114.48 2dhi s THR 91 Ca 0.37 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.34 2dhi s THR 91 Cb 0.05 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 2dhi s THR 91 CO 0.17 0.00 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.44 2dhi s ILE 92 N 1.31 3.93 -0.51 1.82 1.01 -1.11 -4.97 121.20 122.68 2dhi s ILE 92 Ca -0.07 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 2dhi s ILE 92 Cb -0.05 -2.71 0.13 0.00 0.01 0.00 0.00 42.46 39.84 2dhi s ILE 92 CO -0.15 0.51 0.41 -0.44 0.00 0.00 0.00 174.94 175.27 2dhi s SER 93 N 0.20 5.85 0.15 3.58 0.01 -1.26 -1.70 113.70 120.53 2dhi s SER 93 Ca -0.02 -1.98 0.03 0.00 1.31 0.00 0.00 55.95 55.30 2dhi s SER 93 Cb -0.14 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 2dhi s SER 93 CO 0.03 -0.71 0.24 -0.76 0.41 0.00 0.00 173.24 172.45 2dhi s LEU 94 N 1.28 4.19 -0.11 2.44 1.43 0.21 -2.18 118.68 125.95 2dhi s LEU 94 Ca 0.06 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 2dhi s LEU 94 Cb -0.26 -2.77 0.04 0.00 0.03 0.00 0.00 46.19 43.23 2dhi s LEU 94 CO -0.01 0.06 0.05 0.00 0.23 0.00 0.00 176.35 176.69 2dhi s ALA 96 N 2.08 2.38 0.14 0.00 0.00 0.15 -2.28 121.76 124.22 2dhi s ALA 96 Ca 0.03 -0.12 -0.14 0.00 0.00 0.00 0.00 51.96 51.74 2dhi s ALA 96 Cb -0.14 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 2dhi s ALA 96 CO -0.06 -1.58 1.58 1.49 0.00 0.00 0.00 175.76 177.19 2dhi h GLU 97 N -0.98 0.78 -3.94 0.00 4.81 -1.85 -3.46 114.58 109.93 2dhi h GLU 97 Ca -0.46 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 58.40 2dhi h GLU 97 Cb 1.25 -0.07 -0.12 0.00 0.63 0.00 0.00 28.75 30.44 2dhi h GLU 97 CO 0.59 0.85 -0.33 0.45 -0.73 0.00 0.00 179.01 179.84 2dhi s SER 98 N -6.29 0.03 0.43 1.04 0.15 -1.26 -4.94 113.70 102.86 2dhi s SER 98 Ca -0.13 -0.95 0.18 0.00 0.70 0.00 0.00 55.95 55.75 2dhi s SER 98 Cb 0.11 0.46 1.10 0.00 -1.71 0.00 0.00 66.02 65.97 2dhi s SER 98 CO 0.81 -0.93 1.86 0.74 1.20 0.00 0.00 173.24 176.92 2dhi h THR 99 N 2.50 0.68 -0.36 6.45 2.02 -1.90 -0.20 112.91 122.11 2dhi h THR 99 Ca -0.31 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 2dhi h THR 99 Cb 1.23 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2dhi h THR 99 CO 0.46 0.07 0.20 0.44 0.37 0.00 0.00 175.52 177.06 2dhi h ASP 100 N 0.39 0.45 0.20 4.18 5.19 -1.96 -1.83 116.42 123.04 2dhi h ASP 100 Ca 0.46 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.77 2dhi h ASP 100 Cb 1.17 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.57 2dhi h ASP 100 CO -0.16 0.41 -0.10 -0.78 -3.12 0.00 0.00 179.24 175.49 2dhi h ASP 101 N 0.45 -0.23 -0.32 6.45 1.82 -1.46 -2.42 116.42 120.71 2dhi h ASP 101 Ca 0.13 -0.12 0.07 0.00 -0.39 0.00 0.00 57.03 56.71 2dhi h ASP 101 Cb 0.06 0.06 -0.08 0.00 0.68 0.00 0.00 39.33 40.05 2dhi h ASP 101 CO -0.02 -0.01 -0.27 0.00 -1.61 0.00 0.00 179.24 177.33 2dhi h LEU 103 N -0.24 0.25 0.14 0.00 3.38 -1.30 0.13 115.31 117.66 2dhi h LEU 103 Ca 0.16 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.23 2dhi h LEU 103 Cb 0.49 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2dhi h LEU 103 CO -0.46 0.13 -0.17 0.00 0.09 0.00 0.00 178.44 178.03 2dhi h ALA 104 N 1.46 -0.31 -0.26 1.53 0.00 -0.68 0.97 119.26 121.96 2dhi h ALA 104 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2dhi h ALA 104 Cb 0.45 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2dhi h ALA 104 CO -0.34 -0.71 0.18 -1.49 0.00 0.00 0.00 179.25 176.89 2dhi h TRP 105 N -0.35 0.33 -0.37 0.00 4.06 -0.58 -1.41 115.95 117.63 2dhi h TRP 105 Ca 0.01 0.01 0.04 0.00 2.06 0.00 0.00 58.89 61.01 2dhi h TRP 105 Cb 0.35 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 28.36 2dhi h TRP 105 CO -0.16 0.21 0.14 -0.22 -3.56 0.00 0.00 178.44 174.86 2dhi h LYS 106 N 0.36 0.30 -0.80 0.49 3.64 -0.54 0.35 116.57 120.36 2dhi h LYS 106 Ca 0.10 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2dhi h LYS 106 Cb -0.04 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 2dhi h LYS 106 CO -0.02 0.20 0.52 0.74 -2.27 0.00 0.00 179.45 178.62 2dhi h PHE 107 N 0.31 0.98 0.14 1.91 0.04 -0.55 0.19 116.94 119.96 2dhi h PHE 107 Ca 0.16 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 2dhi h PHE 107 Cb 0.12 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 37.95 2dhi h PHE 107 CO -0.13 0.59 -0.07 1.15 -0.60 0.00 0.00 178.31 179.25 2dhi h THR 108 N 1.04 0.98 -0.59 -1.55 2.02 -0.66 -0.97 112.91 113.17 2dhi h THR 108 Ca 0.31 -0.52 0.04 0.00 0.77 0.00 0.00 66.41 67.01 2dhi h THR 108 Cb -0.05 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 2dhi h THR 108 CO -0.09 0.12 0.34 -0.07 0.37 0.00 0.00 175.52 176.19 2dhi h LEU 109 N -0.44 0.53 -1.63 2.58 3.38 -0.76 0.80 115.31 119.77 2dhi h LEU 109 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dhi h LEU 109 Cb 0.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2dhi h LEU 109 CO 0.03 0.36 0.00 1.56 0.09 0.00 0.00 178.44 180.48 2dhi h GLN 110 N 0.66 0.00 0.00 1.13 1.08 -0.91 -0.77 115.11 116.29 2dhi h GLN 110 Ca 0.25 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.28 2dhi h GLN 110 Cb 0.09 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 2dhi h GLN 110 CO -0.13 0.00 -1.80 -3.47 -0.95 0.00 0.00 178.83 172.47 2dhi n ASP 111 N -3.03 0.41 0.07 1.46 2.03 -0.19 -3.85 116.55 113.45 2dhi n ASP 111 Ca 0.00 0.18 -0.02 0.00 0.52 0.00 0.00 54.79 55.47 2dhi n ASP 111 Cb 0.26 0.87 -0.07 0.00 -0.72 0.00 0.00 41.12 41.47 2dhi n ASP 111 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2dhi h SER 112 N 0.00 0.00 0.34 1.67 4.64 0.90 -3.30 113.55 117.80 2dhi h SER 112 Ca -0.22 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.91 2dhi h SER 112 Cb 1.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.66 2dhi h SER 112 CO 0.03 0.73 -0.80 0.08 -0.87 0.00 0.00 176.83 176.00 2dhi h ARG 113 N 0.00 0.36 -1.59 4.77 0.11 -1.32 -3.27 114.38 113.44 2dhi h ARG 113 Ca -0.09 -0.33 -0.70 0.00 0.10 0.00 0.00 59.98 58.96 2dhi h ARG 113 Cb 1.63 0.08 -0.31 0.00 1.11 0.00 0.00 29.97 32.48 2dhi h ARG 113 CO 0.08 0.99 0.58 -2.37 0.10 0.00 0.00 179.97 179.34 2dhi n THR 114 N -3.79 3.32 -4.42 0.08 5.66 -1.25 -4.76 114.28 109.13 2dhi n THR 114 Ca -0.05 -4.09 -0.34 0.00 -3.05 0.00 0.00 64.05 56.53 2dhi n THR 114 Cb 0.75 -1.22 -0.12 0.00 -1.55 0.00 0.00 70.33 68.19 2dhi n THR 114 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2dhi s SER 115 N -1.86 4.77 0.16 1.09 1.04 -1.23 -4.98 113.70 112.69 2dhi s SER 115 Ca 0.54 -0.13 -0.15 0.00 0.48 0.00 0.00 55.95 56.69 2dhi s SER 115 Cb 0.45 -1.76 0.05 0.00 0.10 0.00 0.00 66.02 64.86 2dhi s SER 115 CO -0.25 0.18 0.73 0.61 0.98 0.00 0.00 173.24 175.49 2dhi n GLY 116 N 3.49 0.86 3.55 7.32 0.00 -1.26 -5.09 105.19 114.06 2dhi n GLY 116 Ca -0.17 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 2dhi n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dhi s PRO 117 N -2.04 2.62 -0.02 1.61 0.04 -1.26 -4.95 135.00 131.00 2dhi s PRO 117 Ca 0.16 0.50 0.01 0.00 0.04 0.00 0.00 61.00 61.71 2dhi s PRO 117 Cb -0.02 -4.47 0.01 0.00 0.04 0.00 0.00 34.50 30.06 2dhi s PRO 117 CO 0.05 -2.81 -0.03 -1.12 0.04 0.00 0.00 177.00 173.13 2dhi s SER 118 N 8.09 0.52 -0.07 6.66 0.01 -1.26 -5.15 113.70 122.51 2dhi s SER 118 Ca 0.67 -0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.90 2dhi s SER 118 Cb -0.12 -0.17 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 2dhi s SER 118 CO 0.18 -0.02 -0.15 -0.55 0.41 0.00 0.00 173.24 173.12 2dhi s SER 119 N 0.43 3.95 0.00 2.44 0.15 -1.26 -5.28 113.70 114.13 2dhi s SER 119 Ca -0.05 -0.25 0.05 0.00 0.70 0.00 0.00 55.95 56.41 2dhi s SER 119 Cb -0.08 -0.99 0.04 0.00 -1.71 0.00 0.00 66.02 63.28 2dhi s SER 119 CO -0.01 0.30 0.66 0.61 1.20 0.00 0.00 173.24 176.00