#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 -0.29 0.78 1.61 1.04 -1.26 -5.18 113.70 110.40 2dhi s SER 2 Ca 0.00 0.04 -0.06 0.00 0.48 0.00 0.00 55.95 56.41 2dhi s SER 2 Cb 0.00 0.30 0.13 0.00 0.10 0.00 0.00 66.02 66.55 2dhi s SER 2 CO 0.00 -0.47 1.08 -0.55 0.98 0.00 0.00 173.24 174.29 2dhi s SER 3 N -2.24 4.12 0.00 7.02 0.15 -1.26 -4.90 113.70 116.59 2dhi s SER 3 Ca 0.06 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2dhi s SER 3 Cb -0.01 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 2dhi s SER 3 CO -0.07 -2.03 0.00 0.61 1.20 0.00 0.00 173.24 172.95 2dhi n GLY 4 N -3.10 0.57 2.12 9.45 0.00 -1.26 -4.97 105.19 108.01 2dhi n GLY 4 Ca 0.13 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 2dhi n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dhi n SER 5 N 0.00 6.69 -0.28 1.61 7.64 -1.26 -4.68 113.62 123.34 2dhi n SER 5 Ca 0.00 -3.22 -0.00 0.00 1.01 0.00 0.00 58.87 56.65 2dhi n SER 5 Cb 0.00 -1.09 0.06 0.00 -1.01 0.00 0.00 64.21 62.18 2dhi n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dhi h SER 6 N 1.93 -0.97 -0.48 6.43 0.87 -1.98 -3.46 113.55 115.88 2dhi h SER 6 Ca 0.37 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 61.18 2dhi h SER 6 Cb 0.83 0.56 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 2dhi h SER 6 CO 0.93 -0.28 0.00 0.61 -0.53 0.00 0.00 176.83 177.56 2dhi n GLY 7 N -1.49 0.89 3.49 5.77 0.00 -1.26 -4.97 105.19 107.63 2dhi n GLY 7 Ca 0.09 -0.74 -0.55 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.24 0.53 -0.22 1.61 3.72 -1.26 -4.74 117.46 116.86 2dhi n PHE 8 Ca 0.00 0.96 -0.09 0.00 -0.05 0.00 0.00 57.45 58.26 2dhi n PHE 8 Cb 0.08 -2.10 -0.05 0.00 -0.94 0.00 0.00 39.48 36.47 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 2.51 0.06 -3.08 -4.37 2.07 0.42 -3.43 116.25 110.44 2dhi h VAL 9 Ca -0.44 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 66.93 2dhi h VAL 9 Cb 1.41 0.06 -0.24 0.00 -1.52 0.00 0.00 31.29 31.01 2dhi h VAL 9 CO 0.65 0.00 -0.37 -0.75 0.02 0.00 0.00 177.57 177.12 2dhi s LYS 10 N -5.78 0.42 -0.00 1.57 2.20 -1.26 -5.01 119.74 111.88 2dhi s LYS 10 Ca -0.14 0.20 0.03 0.00 -0.36 0.00 0.00 55.97 55.70 2dhi s LYS 10 Cb 0.12 0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.63 2dhi s LYS 10 CO 0.65 -0.08 -0.09 -1.54 -0.36 0.00 0.00 175.35 173.94 2dhi s SER 11 N -0.30 1.01 0.01 1.43 1.04 -1.26 -2.71 113.70 112.91 2dhi s SER 11 Ca -0.04 -0.17 -0.29 0.00 0.48 0.00 0.00 55.95 55.92 2dhi s SER 11 Cb -0.03 -0.11 0.10 0.00 0.10 0.00 0.00 66.02 66.08 2dhi s SER 11 CO 0.01 0.09 1.10 -0.83 0.98 0.00 0.00 173.24 174.59 2dhi s GLY 12 N -0.26 -0.34 0.31 7.32 0.00 -1.22 -5.05 107.32 108.08 2dhi s GLY 12 Ca 0.03 0.73 -0.27 0.00 0.00 0.00 0.00 44.72 45.21 2dhi s GLY 12 CO -0.00 0.20 0.99 -0.98 0.00 0.00 0.00 173.10 173.30 2dhi s TRP 13 N -2.82 3.67 -0.21 1.90 0.52 -1.26 -3.07 118.94 117.67 2dhi s TRP 13 Ca 0.11 1.78 -0.23 0.00 0.02 0.00 0.00 56.10 57.78 2dhi s TRP 13 Cb 0.01 -3.03 0.06 0.00 -1.15 0.00 0.00 33.47 29.36 2dhi s TRP 13 CO -0.03 -0.00 0.63 -0.51 0.02 0.00 0.00 176.95 177.06 2dhi s LEU 14 N -1.86 -0.43 0.27 2.99 1.43 -0.67 -4.78 118.68 115.64 2dhi s LEU 14 Ca 0.48 1.17 -0.18 0.00 -1.03 0.00 0.00 54.13 54.57 2dhi s LEU 14 Cb -0.23 2.21 -0.09 0.00 0.03 0.00 0.00 46.19 48.11 2dhi s LEU 14 CO 0.29 -0.28 0.75 -0.76 0.23 0.00 0.00 176.35 176.58 2dhi s LEU 15 N 0.06 4.22 -0.01 1.79 1.43 -0.27 0.08 118.68 125.98 2dhi s LEU 15 Ca -0.02 1.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.49 2dhi s LEU 15 Cb -0.04 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 42.35 2dhi s LEU 15 CO 0.02 -0.08 -0.04 -0.60 0.23 0.00 0.00 176.35 175.88 2dhi s ARG 16 N -2.42 0.39 -0.62 1.70 3.52 -0.46 -0.85 118.95 120.22 2dhi s ARG 16 Ca 0.48 -0.14 -0.24 0.00 -0.13 0.00 0.00 55.73 55.71 2dhi s ARG 16 Cb -0.14 -0.40 0.05 0.00 -1.56 0.00 0.00 34.95 32.90 2dhi s ARG 16 CO 0.19 0.06 0.97 -1.14 -0.81 0.00 0.00 175.30 174.58 2dhi s GLN 17 N 0.07 3.21 0.52 5.12 0.74 -0.67 -1.67 119.66 126.98 2dhi s GLN 17 Ca -0.00 -0.54 -0.19 0.00 0.05 0.00 0.00 55.36 54.67 2dhi s GLN 17 Cb -0.04 -4.15 -0.07 0.00 1.10 0.00 0.00 33.01 29.86 2dhi s GLN 17 CO -0.00 -1.69 1.06 -1.12 -0.55 0.00 0.00 175.29 172.99 2dhi s SER 18 N 3.30 6.10 0.00 6.67 0.01 -1.05 -4.73 113.70 124.00 2dhi s SER 18 Ca 0.27 1.96 0.29 0.00 1.31 0.00 0.00 55.95 59.77 2dhi s SER 18 Cb -0.14 -2.56 1.28 0.00 0.21 0.00 0.00 66.02 64.81 2dhi s SER 18 CO 0.14 -0.95 1.90 1.07 0.41 0.00 0.00 173.24 175.81 2dhi n THR 19 N -1.25 0.00 -0.14 1.44 5.66 -1.26 -1.18 114.28 117.55 2dhi n THR 19 Ca 0.10 -0.04 -0.29 0.00 -3.05 0.00 0.00 64.05 60.76 2dhi n THR 19 Cb 0.52 -0.18 -0.10 0.00 -1.55 0.00 0.00 70.33 69.02 2dhi n THR 19 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2dhi n ILE 20 N -1.05 1.53 1.07 1.09 -0.00 -1.26 -4.51 119.36 116.23 2dhi n ILE 20 Ca 0.14 -0.40 0.12 0.00 -0.00 0.00 0.00 62.75 62.62 2dhi n ILE 20 Cb 0.27 -1.85 0.27 0.00 -0.00 0.00 0.00 39.64 38.33 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 -4.18 0.69 -4.38 1.39 4.77 -1.25 -4.94 117.00 109.09 2dhi n LEU 21 Ca -0.54 -0.11 -0.40 0.00 -0.03 0.00 0.00 56.01 54.94 2dhi n LEU 21 Cb 0.89 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.73 2dhi n LEU 21 CO 0.05 0.15 -0.09 0.29 -1.33 0.00 0.00 177.39 176.46 2dhi n LYS 22 N -1.24 -1.99 -4.12 3.23 4.01 -0.32 -4.90 118.16 112.83 2dhi n LYS 22 Ca 0.07 0.26 -0.11 0.00 -0.51 0.00 0.00 58.31 58.03 2dhi n LYS 22 Cb 0.34 -4.91 -0.08 0.00 -0.51 0.00 0.00 35.03 29.86 2dhi n LYS 22 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 2dhi s ARG 23 N -7.09 1.31 -0.26 1.97 1.70 -1.25 -4.93 118.95 110.40 2dhi s ARG 23 Ca 0.79 -1.49 -0.22 0.00 -0.47 0.00 0.00 55.73 54.35 2dhi s ARG 23 Cb -0.44 0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.26 2dhi s ARG 23 CO 0.98 -0.47 0.69 -1.58 -1.08 0.00 0.00 175.30 173.83 2dhi s TRP 24 N -4.10 3.28 -0.06 5.89 0.52 -1.26 -2.53 118.94 120.68 2dhi s TRP 24 Ca 0.32 0.87 0.05 0.00 0.02 0.00 0.00 56.10 57.36 2dhi s TRP 24 Cb 0.04 -2.93 -0.00 0.00 -1.15 0.00 0.00 33.47 29.43 2dhi s TRP 24 CO 0.10 -0.37 -0.20 -1.59 0.02 0.00 0.00 176.95 174.91 2dhi s LYS 25 N 2.63 2.19 0.18 4.98 -2.85 -0.67 -4.83 119.74 121.37 2dhi s LYS 25 Ca 0.29 -0.72 -0.32 0.00 -1.00 0.00 0.00 55.97 54.22 2dhi s LYS 25 Cb -0.15 -1.83 -0.11 0.00 -2.06 0.00 0.00 37.83 33.68 2dhi s LYS 25 CO 0.09 0.25 1.70 0.21 0.10 0.00 0.00 175.35 177.70 2dhi s LYS 26 N 0.09 4.15 0.16 1.78 2.47 -1.26 -1.35 119.74 125.78 2dhi s LYS 26 Ca -0.07 2.55 0.01 0.00 -1.56 0.00 0.00 55.97 56.90 2dhi s LYS 26 Cb -0.14 -3.17 -0.04 0.00 -1.46 0.00 0.00 37.83 33.02 2dhi s LYS 26 CO 0.04 -0.73 0.02 -0.80 0.16 0.00 0.00 175.35 174.03 2dhi s ASN 27 N 1.40 0.99 -0.22 1.43 -0.87 0.11 -4.89 114.94 112.89 2dhi s ASN 27 Ca 0.75 -1.19 -0.08 0.00 -1.57 0.00 0.00 52.86 50.77 2dhi s ASN 27 Cb -0.48 0.16 -0.04 0.00 -0.02 0.00 0.00 41.25 40.88 2dhi s ASN 27 CO 0.32 -0.61 0.08 0.86 -2.57 0.00 0.00 177.10 175.18 2dhi s TRP 28 N -3.75 3.15 0.18 2.20 -0.11 -0.59 -1.68 118.94 118.34 2dhi s TRP 28 Ca 0.24 -0.18 0.08 0.00 1.22 0.00 0.00 56.10 57.47 2dhi s TRP 28 Cb 0.06 -2.18 -0.04 0.00 -1.50 0.00 0.00 33.47 29.81 2dhi s TRP 28 CO 0.04 -0.14 -0.06 -0.06 -4.62 0.00 0.00 176.95 172.11 2dhi s PHE 29 N 1.13 2.72 -0.26 5.86 0.40 -1.17 0.40 117.98 127.05 2dhi s PHE 29 Ca 0.05 -0.19 -0.09 0.00 -0.60 0.00 0.00 56.93 56.10 2dhi s PHE 29 Cb -0.14 -1.32 0.12 0.00 0.51 0.00 0.00 43.02 42.18 2dhi s PHE 29 CO 0.03 0.52 0.56 -0.51 0.70 0.00 0.00 175.22 176.52 2dhi s ASP 30 N -2.88 -0.80 0.01 1.36 1.11 -0.44 -3.37 116.67 111.65 2dhi s ASP 30 Ca 0.26 1.34 -0.14 0.00 0.18 0.00 0.00 52.55 54.19 2dhi s ASP 30 Cb -0.09 1.93 -0.06 0.00 1.07 0.00 0.00 42.92 45.78 2dhi s ASP 30 CO 0.17 -0.23 0.39 -0.22 1.18 0.00 0.00 175.17 176.46 2dhi s LEU 31 N 2.79 4.45 0.56 1.23 2.96 -1.10 -1.27 118.68 128.29 2dhi s LEU 31 Ca -0.04 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 54.81 2dhi s LEU 31 Cb -0.12 -2.63 0.05 0.00 0.50 0.00 0.00 46.19 43.99 2dhi s LEU 31 CO -0.17 0.30 0.77 0.26 -1.32 0.00 0.00 176.35 176.20 2dhi s TRP 32 N -1.13 2.52 -0.02 5.38 0.52 0.12 0.10 118.94 126.42 2dhi s TRP 32 Ca 0.25 -0.19 0.22 0.00 0.02 0.00 0.00 56.10 56.40 2dhi s TRP 32 Cb -0.16 -2.67 0.64 0.00 -1.15 0.00 0.00 33.47 30.12 2dhi s TRP 32 CO 0.14 -0.95 1.70 0.66 0.02 0.00 0.00 176.95 178.52 2dhi h SER 33 N 0.09 0.00 0.01 2.95 4.64 -1.85 -2.80 113.55 116.58 2dhi h SER 33 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2dhi h SER 33 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2dhi h SER 33 CO 0.48 0.26 -0.02 -0.90 -0.87 0.00 0.00 176.83 175.78 2dhi n ASP 34 N -3.29 1.31 0.00 4.97 5.68 -1.26 -4.92 116.55 119.05 2dhi n ASP 34 Ca 0.01 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 2dhi n ASP 34 Cb 0.52 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 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 1.17 2.82 3.63 6.12 0.00 -1.06 -4.91 105.19 112.95 2dhi n GLY 35 Ca 0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.34 1.75 -5.07 1.61 8.25 -1.26 -3.54 115.22 116.62 2dhi n HIS 36 Ca 0.00 0.56 -0.32 0.00 -0.26 0.00 0.00 57.72 57.70 2dhi n HIS 36 Cb 0.00 -2.37 -0.16 0.00 1.12 0.00 0.00 29.99 28.58 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 0.28 2.27 -0.03 2.41 2.96 -0.41 0.16 118.68 126.32 2dhi s LEU 37 Ca 0.68 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 2dhi s LEU 37 Cb -0.72 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 44.51 2dhi s LEU 37 CO 0.52 0.16 -0.05 -0.63 -1.32 0.00 0.00 176.35 175.03 2dhi s ILE 38 N 0.36 0.54 0.28 6.68 1.01 -0.40 -1.37 121.20 128.31 2dhi s ILE 38 Ca -0.16 -0.18 0.11 0.00 0.00 0.00 0.00 60.65 60.42 2dhi s ILE 38 Cb -0.17 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.71 2dhi s ILE 38 CO 0.08 0.20 -0.18 -0.72 0.00 0.00 0.00 174.94 174.32 2dhi s TYR 39 N 0.58 2.21 0.19 3.97 1.13 -1.16 -1.33 117.35 122.94 2dhi s TYR 39 Ca -0.08 -0.39 0.06 0.00 -1.41 0.00 0.00 57.07 55.26 2dhi s TYR 39 Cb -0.11 -1.00 -0.05 0.00 -1.10 0.00 0.00 41.96 39.70 2dhi s TYR 39 CO 0.00 0.65 -0.11 0.71 -2.51 0.00 0.00 175.55 174.30 2dhi s TYR 40 N -2.59 1.54 0.24 -3.49 1.51 0.16 -2.29 117.35 112.44 2dhi s TYR 40 Ca 0.29 -0.69 -0.05 0.00 -1.01 0.00 0.00 57.07 55.61 2dhi s TYR 40 Cb -0.04 -0.77 0.33 0.00 -0.11 0.00 0.00 41.96 41.38 2dhi s TYR 40 CO 0.14 0.20 1.86 0.22 -1.11 0.00 0.00 175.55 176.86 2dhi h ASP 41 N 2.61 0.87 -2.78 2.29 3.58 -1.76 -1.56 116.42 119.67 2dhi h ASP 41 Ca -0.38 0.01 -0.12 0.00 0.42 0.00 0.00 57.03 56.97 2dhi h ASP 41 Cb 1.21 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.07 2dhi h ASP 41 CO 0.63 0.56 0.00 0.47 -2.88 0.00 0.00 179.24 178.03 2dhi n ASP 42 N -4.60 -1.07 0.30 2.28 8.00 -1.26 -4.44 116.55 115.76 2dhi n ASP 42 Ca 0.13 -2.12 0.20 0.00 0.71 0.00 0.00 54.79 53.71 2dhi n ASP 42 Cb 0.17 1.90 1.04 0.00 -0.02 0.00 0.00 41.12 44.20 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 -0.06 -1.24 -0.00 -1.98 -1.65 115.11 110.19 2dhi h GLN 43 Ca -0.19 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.40 2dhi h GLN 43 Cb 0.76 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.23 2dhi h GLN 43 CO 0.24 0.00 -0.27 1.79 -0.00 0.00 0.00 178.83 180.60 2dhi h THR 44 N 0.00 1.22 -5.91 1.86 1.35 -1.98 -3.47 112.91 105.98 2dhi h THR 44 Ca 0.00 -1.03 -0.39 0.00 -0.55 0.00 0.00 66.41 64.43 2dhi h THR 44 Cb 0.11 1.48 0.10 0.00 -1.73 0.00 0.00 68.15 68.11 2dhi h THR 44 CO 0.00 0.30 -0.76 0.54 -0.25 0.00 0.00 175.52 175.35 2dhi n ARG 45 N -4.19 -6.37 -0.03 4.72 1.74 -0.62 -4.90 116.66 107.01 2dhi n ARG 45 Ca -0.02 0.75 0.03 0.00 -0.77 0.00 0.00 57.85 57.84 2dhi n ARG 45 Cb 0.34 -5.64 -0.15 0.00 -1.02 0.00 0.00 32.46 26.00 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 -4.48 0.66 -3.79 5.56 6.02 -1.26 -4.81 117.38 115.29 2dhi n GLN 46 Ca -0.16 -0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 56.45 2dhi n GLN 46 Cb 0.62 -1.57 -0.15 0.00 1.02 0.00 0.00 30.24 30.16 2dhi n GLN 46 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2dhi s SER 47 N -5.02 3.97 -0.52 1.08 0.15 -1.26 -5.08 113.70 107.02 2dhi s SER 47 Ca -0.08 -1.56 -0.26 0.00 0.70 0.00 0.00 55.95 54.75 2dhi s SER 47 Cb 0.11 -0.95 -0.05 0.00 -1.71 0.00 0.00 66.02 63.41 2dhi s SER 47 CO 0.87 -0.38 2.15 -0.63 1.20 0.00 0.00 173.24 176.45 2dhi s ILE 48 N 1.54 3.17 0.00 6.45 1.01 -1.26 -2.25 121.20 129.86 2dhi s ILE 48 Ca 0.07 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.83 2dhi s ILE 48 Cb -0.18 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.88 2dhi s ILE 48 CO -0.19 -0.39 0.93 -0.62 0.00 0.00 0.00 174.94 174.66 2dhi n GLU 49 N 9.05 0.00 -3.49 2.79 -0.58 -0.97 -4.90 120.64 122.54 2dhi n GLU 49 Ca 0.29 0.77 -0.10 0.00 -0.42 0.00 0.00 57.16 57.71 2dhi n GLU 49 Cb 0.53 -1.43 -0.02 0.00 -0.57 0.00 0.00 31.44 29.95 2dhi n GLU 49 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2dhi s ASP 50 N -2.69 -0.44 0.01 1.62 1.01 -1.25 -5.06 116.67 109.86 2dhi s ASP 50 Ca 0.00 -0.04 0.07 0.00 0.71 0.00 0.00 52.55 53.28 2dhi s ASP 50 Cb 0.00 0.50 -0.02 0.00 1.01 0.00 0.00 42.92 44.41 2dhi s ASP 50 CO 0.00 -0.82 -0.20 -0.75 0.21 0.00 0.00 175.17 173.61 2dhi s LYS 51 N -3.44 1.53 -0.25 8.23 2.20 -1.26 -2.99 119.74 123.75 2dhi s LYS 51 Ca 0.04 -0.80 -0.20 0.00 -0.36 0.00 0.00 55.97 54.65 2dhi s LYS 51 Cb -0.01 -1.54 0.07 0.00 -1.51 0.00 0.00 37.83 34.84 2dhi s LYS 51 CO -0.10 0.41 0.66 0.08 -0.36 0.00 0.00 175.35 176.04 2dhi s VAL 52 N -0.59 -0.00 0.76 4.02 1.01 -0.47 -5.03 120.40 120.10 2dhi s VAL 52 Ca 0.08 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 2dhi s VAL 52 Cb -0.08 -0.93 0.05 0.00 0.00 0.00 0.00 36.38 35.42 2dhi s VAL 52 CO 0.00 0.00 1.14 -2.28 0.00 0.00 0.00 175.10 173.96 2dhi s HIS 53 N 0.83 3.11 0.00 5.22 2.46 -1.26 -1.28 115.29 124.37 2dhi s HIS 53 Ca -0.04 0.90 0.00 0.00 0.47 0.00 0.00 55.06 56.39 2dhi s HIS 53 Cb -0.05 -3.29 0.00 0.00 -0.13 0.00 0.00 32.58 29.11 2dhi s HIS 53 CO -0.07 -1.52 0.00 -1.33 -2.47 0.00 0.00 174.74 169.36 2dhi n MET 54 N -3.19 0.00 0.00 2.88 2.81 -1.23 -2.39 117.12 116.00 2dhi n MET 54 Ca 0.07 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 56.02 2dhi n MET 54 Cb 0.59 -0.39 0.35 0.00 -0.71 0.00 0.00 33.22 33.05 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 -0.35 135.00 131.39 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 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 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 -0.88 0.00 -0.09 0.52 0.31 -1.26 -4.89 118.33 112.05 2dhi n VAL 56 Ca 0.09 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.19 2dhi n VAL 56 Cb 0.04 -1.24 -0.12 0.00 -0.91 0.00 0.00 33.84 31.61 2dhi n VAL 56 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2dhi n ASP 57 N -2.86 1.94 -4.66 4.52 8.00 -1.21 -4.85 116.55 117.43 2dhi n ASP 57 Ca 0.00 0.33 -0.43 0.00 0.71 0.00 0.00 54.79 55.40 2dhi n ASP 57 Cb 0.47 -0.89 -0.02 0.00 -0.02 0.00 0.00 41.12 40.66 2dhi n ASP 57 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dhi n ILE 59 N 5.34 1.18 -4.17 0.00 -5.35 0.01 -4.29 119.36 112.08 2dhi n ILE 59 Ca 0.13 -0.76 -0.12 0.00 -0.27 0.00 0.00 62.75 61.72 2dhi n ILE 59 Cb 0.46 -0.47 -0.09 0.00 -1.74 0.00 0.00 39.64 37.79 2dhi n ILE 59 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2dhi s ASN 60 N -5.20 0.20 -0.14 7.28 -0.87 -1.17 -5.06 114.94 109.99 2dhi s ASN 60 Ca -0.09 -1.34 -0.04 0.00 -1.57 0.00 0.00 52.86 49.82 2dhi s ASN 60 Cb 0.06 0.42 0.05 0.00 -0.02 0.00 0.00 41.25 41.76 2dhi s ASN 60 CO 0.76 -0.90 0.07 -0.63 -2.57 0.00 0.00 177.10 173.83 2dhi s ILE 61 N -4.09 -0.02 -0.31 0.60 1.01 -1.26 -2.27 121.20 114.86 2dhi s ILE 61 Ca 0.37 -0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.86 2dhi s ILE 61 Cb 0.06 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 2dhi s ILE 61 CO 0.12 -0.14 0.22 -0.13 0.00 0.00 0.00 174.94 175.02 2dhi s ARG 62 N 2.11 3.67 0.11 2.79 0.52 -1.16 -4.97 118.95 122.02 2dhi s ARG 62 Ca 0.03 -0.52 0.03 0.00 -0.52 0.00 0.00 55.73 54.75 2dhi s ARG 62 Cb -0.15 -3.74 -0.04 0.00 0.52 0.00 0.00 34.95 31.54 2dhi s ARG 62 CO -0.07 -0.34 -0.09 0.95 0.02 0.00 0.00 175.30 175.77 2dhi s THR 63 N 1.73 0.93 0.00 0.02 -4.23 -1.26 -0.86 115.64 111.96 2dhi s THR 63 Ca 0.06 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 2dhi s THR 63 Cb -0.17 -1.50 0.00 0.00 1.34 0.00 0.00 72.50 72.17 2dhi s THR 63 CO 0.11 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.14 2dhi n GLY 64 N 0.32 1.92 0.07 3.99 0.00 -1.11 -2.85 105.19 107.52 2dhi n GLY 64 Ca -0.14 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 4.00 0.56 -0.23 1.61 8.25 -1.26 -4.33 115.22 123.82 2dhi n HIS 65 Ca 0.00 0.16 -0.02 0.00 -0.26 0.00 0.00 57.72 57.60 2dhi n HIS 65 Cb 0.00 -0.69 0.04 0.00 1.12 0.00 0.00 29.99 30.45 2dhi n HIS 65 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2dhi h GLU 66 N 0.00 -0.09 -6.26 -0.41 5.08 -1.87 -3.37 114.58 107.66 2dhi h GLU 66 Ca 0.00 0.01 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2dhi h GLU 66 Cb 0.89 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2dhi h GLU 66 CO 0.00 -0.06 1.18 0.00 -1.00 0.00 0.00 179.01 179.13 2dhi n ARG 68 N 7.77 3.56 0.00 0.00 0.00 -1.26 -4.60 116.66 122.13 2dhi n ARG 68 Ca 0.20 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 58.10 2dhi n ARG 68 Cb 0.45 -1.02 0.28 0.00 0.00 0.00 0.00 32.46 32.17 2dhi n ARG 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2dhi n ASP 69 N -2.07 0.00 -3.74 6.15 8.00 -1.26 -4.71 116.55 118.92 2dhi n ASP 69 Ca -0.01 0.06 -0.22 0.00 0.71 0.00 0.00 54.79 55.34 2dhi n ASP 69 Cb 0.52 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 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 -1.24 0.00 -3.76 0.53 -5.35 -1.26 -5.16 119.36 103.11 2dhi n ILE 70 Ca 0.06 -1.64 -0.13 0.00 -0.27 0.00 0.00 62.75 60.77 2dhi n ILE 70 Cb 0.08 0.36 -0.13 0.00 -1.74 0.00 0.00 39.64 38.21 2dhi n ILE 70 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2dhi s GLN 71 N -3.23 0.16 0.33 6.28 -1.52 -1.26 -5.08 119.66 115.34 2dhi s GLN 71 Ca 0.02 0.37 -0.28 0.00 -1.95 0.00 0.00 55.36 53.52 2dhi s GLN 71 Cb 0.00 -0.07 -0.10 0.00 -0.22 0.00 0.00 33.01 32.62 2dhi s GLN 71 CO 0.01 -0.12 1.22 -1.25 -0.25 0.00 0.00 175.29 174.90 2dhi s PRO 72 N 0.84 4.37 0.13 2.91 0.04 -1.26 -4.98 135.00 137.06 2dhi s PRO 72 Ca -0.06 2.02 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 2dhi s PRO 72 Cb -0.08 -3.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.36 2dhi s PRO 72 CO -0.05 -0.10 1.34 -1.25 0.04 0.00 0.00 177.00 176.99 2dhi s PRO 73 N -1.80 4.35 0.14 0.56 0.04 -1.26 -4.93 135.00 132.11 2dhi s PRO 73 Ca 0.49 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 63.24 2dhi s PRO 73 Cb -0.36 -3.24 -0.17 0.00 0.04 0.00 0.00 34.50 30.77 2dhi s PRO 73 CO 0.46 -0.36 0.83 -3.47 0.04 0.00 0.00 177.00 174.50 2dhi n ASP 74 N 3.56 -0.25 0.00 6.66 2.03 -1.26 -0.88 116.55 126.41 2dhi n ASP 74 Ca 0.10 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.55 2dhi n ASP 74 Cb 0.43 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 2dhi n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dhi n GLY 75 N 1.81 0.87 3.20 0.27 0.00 -1.26 -5.04 105.19 105.04 2dhi n GLY 75 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.50 1.67 0.00 1.61 -0.14 -0.06 -5.15 119.74 117.16 2dhi s LYS 76 Ca 0.00 -0.71 0.00 0.00 -1.36 0.00 0.00 55.97 53.90 2dhi s LYS 76 Cb 0.00 -1.59 0.00 0.00 -1.68 0.00 0.00 37.83 34.56 2dhi s LYS 76 CO 0.00 0.41 0.00 -0.35 -0.76 0.00 0.00 175.35 174.65 2dhi n PRO 77 N 2.65 0.08 -0.11 -1.68 -0.04 -1.26 -4.66 135.00 129.98 2dhi n PRO 77 Ca -0.15 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.10 2dhi n PRO 77 Cb 0.53 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.87 2dhi n PRO 77 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dhi n ARG 78 N -0.68 0.66 0.31 0.54 1.74 -1.26 -4.25 116.66 113.71 2dhi n ARG 78 Ca 0.00 0.20 0.19 0.00 -0.77 0.00 0.00 57.85 57.47 2dhi n ARG 78 Cb 0.00 -1.56 0.99 0.00 -1.02 0.00 0.00 32.46 30.87 2dhi n ARG 78 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2dhi h ASP 79 N -0.18 0.00 -0.06 0.55 5.19 -1.96 0.17 116.42 120.12 2dhi h ASP 79 Ca -0.56 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.85 2dhi h ASP 79 Cb 1.86 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.37 2dhi h ASP 79 CO -0.12 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.00 2dhi s LEU 81 N -0.64 4.19 -0.08 0.00 1.43 0.58 -0.97 118.68 123.20 2dhi s LEU 81 Ca 0.05 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 2dhi s LEU 81 Cb 0.03 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.18 2dhi s LEU 81 CO 0.02 0.16 -0.12 -0.22 0.23 0.00 0.00 176.35 176.42 2dhi s LEU 82 N 0.46 1.59 0.11 1.79 2.96 -0.66 -2.74 118.68 122.19 2dhi s LEU 82 Ca 0.08 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 53.72 2dhi s LEU 82 Cb -0.11 -0.90 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 2dhi s LEU 82 CO -0.01 0.00 -0.18 -1.58 -1.32 0.00 0.00 176.35 173.27 2dhi s GLN 83 N 0.92 1.05 -0.34 1.98 0.74 -0.04 0.64 119.66 124.61 2dhi s GLN 83 Ca -0.09 -1.16 0.00 0.00 0.05 0.00 0.00 55.36 54.16 2dhi s GLN 83 Cb -0.15 -1.16 0.11 0.00 1.10 0.00 0.00 33.01 32.91 2dhi s GLN 83 CO 0.00 0.25 0.12 0.42 -0.55 0.00 0.00 175.29 175.54 2dhi s ILE 84 N -1.50 1.04 -0.48 -2.34 -1.09 -0.87 -2.97 121.20 113.00 2dhi s ILE 84 Ca 0.06 -1.68 -0.28 0.00 -2.23 0.00 0.00 60.65 56.52 2dhi s ILE 84 Cb -0.08 -1.78 0.00 0.00 -1.58 0.00 0.00 42.46 39.02 2dhi s ILE 84 CO 0.04 -0.72 1.53 -0.69 -1.23 0.00 0.00 174.94 173.87 2dhi s VAL 85 N 1.33 3.72 -0.32 2.92 1.01 -0.96 -2.65 120.40 125.44 2dhi s VAL 85 Ca 0.11 0.66 -0.20 0.00 0.00 0.00 0.00 61.98 62.56 2dhi s VAL 85 Cb -0.19 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 2dhi s VAL 85 CO -0.19 -0.87 0.60 0.00 0.00 0.00 0.00 175.10 174.64 2dhi n ARG 87 N 5.87 -1.41 -3.96 0.00 1.74 0.17 0.82 116.66 119.89 2dhi n ARG 87 Ca -0.02 0.06 -0.29 0.00 -0.77 0.00 0.00 57.85 56.83 2dhi n ARG 87 Cb 0.49 -3.29 -0.01 0.00 -1.02 0.00 0.00 32.46 28.62 2dhi n ARG 87 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2dhi n ASP 88 N -1.35 -1.51 0.03 0.55 8.00 -1.26 -4.79 116.55 116.23 2dhi n ASP 88 Ca 0.05 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.48 2dhi n ASP 88 Cb 0.33 -2.80 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 2dhi n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dhi n GLY 89 N -2.01 -0.35 3.03 0.44 0.00 0.24 -5.03 105.19 101.51 2dhi n GLY 89 Ca -0.25 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.00 2.28 0.08 1.61 2.20 -1.13 -4.99 119.74 117.79 2dhi s LYS 90 Ca 0.00 -2.54 -0.30 0.00 -0.36 0.00 0.00 55.97 52.77 2dhi s LYS 90 Cb 0.00 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.73 2dhi s LYS 90 CO 0.00 -1.14 0.98 0.99 -0.36 0.00 0.00 175.35 175.83 2dhi s THR 91 N -0.11 4.56 -0.29 3.43 2.01 -1.26 -3.29 115.64 120.69 2dhi s THR 91 Ca 0.17 2.02 -0.07 0.00 0.31 0.00 0.00 61.69 64.12 2dhi s THR 91 Cb -0.23 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.00 2dhi s THR 91 CO -0.02 0.26 0.08 -0.63 -0.69 0.00 0.00 174.62 173.61 2dhi s ILE 92 N 0.33 4.00 -0.33 1.82 1.01 -1.09 -4.96 121.20 122.00 2dhi s ILE 92 Ca 0.49 -0.62 -0.20 0.00 0.00 0.00 0.00 60.65 60.32 2dhi s ILE 92 Cb -0.23 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.20 2dhi s ILE 92 CO 0.30 0.12 0.63 -0.44 0.00 0.00 0.00 174.94 175.54 2dhi s SER 93 N 1.52 6.46 0.36 3.58 0.01 -1.26 -2.06 113.70 122.30 2dhi s SER 93 Ca 0.03 0.31 0.06 0.00 1.31 0.00 0.00 55.95 57.66 2dhi s SER 93 Cb -0.17 -2.33 -0.07 0.00 0.21 0.00 0.00 66.02 63.67 2dhi s SER 93 CO 0.02 -0.52 -0.00 -0.76 0.41 0.00 0.00 173.24 172.39 2dhi s LEU 94 N 2.64 2.61 -0.24 2.44 1.43 0.21 -1.67 118.68 126.09 2dhi s LEU 94 Ca 0.25 -1.32 -0.12 0.00 -1.03 0.00 0.00 54.13 51.91 2dhi s LEU 94 Cb -0.15 -0.73 0.09 0.00 0.03 0.00 0.00 46.19 45.43 2dhi s LEU 94 CO 0.13 -0.44 0.57 0.00 0.23 0.00 0.00 176.35 176.84 2dhi s ALA 96 N 2.01 3.18 -0.19 0.00 0.00 -0.14 -1.11 121.76 125.51 2dhi s ALA 96 Ca -0.08 -1.48 -0.21 0.00 0.00 0.00 0.00 51.96 50.20 2dhi s ALA 96 Cb -0.08 -2.31 -0.21 0.00 0.00 0.00 0.00 23.12 20.52 2dhi s ALA 96 CO -0.17 -1.75 0.28 1.49 0.00 0.00 0.00 175.76 175.61 2dhi h GLU 97 N -0.89 0.03 -6.25 0.00 4.81 -1.87 -3.47 114.58 106.94 2dhi h GLU 97 Ca -0.40 -0.06 -0.60 0.00 -0.13 0.00 0.00 59.36 58.17 2dhi h GLU 97 Cb 1.26 0.02 -0.25 0.00 0.63 0.00 0.00 28.75 30.41 2dhi h GLU 97 CO 0.41 1.03 -0.85 -1.12 -0.73 0.00 0.00 179.01 177.75 2dhi s SER 98 N -6.84 2.64 0.33 1.04 0.01 -1.26 -4.98 113.70 104.64 2dhi s SER 98 Ca -0.27 -0.57 0.07 0.00 1.31 0.00 0.00 55.95 56.50 2dhi s SER 98 Cb 0.05 -0.21 0.93 0.00 0.21 0.00 0.00 66.02 67.00 2dhi s SER 98 CO 0.62 0.17 1.56 0.41 0.41 0.00 0.00 173.24 176.41 2dhi n THR 99 N 1.69 -0.42 -0.30 1.44 -1.04 -1.26 0.15 114.28 114.54 2dhi n THR 99 Ca -0.17 2.14 -0.04 0.00 -2.04 0.00 0.00 64.05 63.94 2dhi n THR 99 Cb 0.53 -3.23 0.08 0.00 -1.82 0.00 0.00 70.33 65.89 2dhi n THR 99 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2dhi h ASP 100 N 0.00 0.95 -0.34 8.00 3.58 -1.97 -0.55 116.42 126.09 2dhi h ASP 100 Ca 0.67 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 58.08 2dhi h ASP 100 Cb 1.53 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 42.33 2dhi h ASP 100 CO -0.89 0.70 0.18 0.44 -2.88 0.00 0.00 179.24 176.80 2dhi h ASP 101 N 1.12 0.42 0.27 2.28 5.19 0.10 0.59 116.42 126.39 2dhi h ASP 101 Ca 0.30 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 2dhi h ASP 101 Cb -0.11 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.30 2dhi h ASP 101 CO -0.06 0.39 -0.13 0.00 -3.12 0.00 0.00 179.24 176.32 2dhi h LEU 103 N -0.52 -0.76 -1.00 0.00 3.38 -1.05 -2.20 115.31 113.16 2dhi h LEU 103 Ca -0.04 0.07 0.23 0.00 0.09 0.00 0.00 57.88 58.23 2dhi h LEU 103 Cb 0.39 0.26 -0.19 0.00 0.09 0.00 0.00 40.66 41.21 2dhi h LEU 103 CO 0.06 -0.40 -0.14 0.00 0.09 0.00 0.00 178.44 178.05 2dhi h ALA 104 N 0.03 0.86 0.45 1.53 0.00 -0.89 0.12 119.26 121.36 2dhi h ALA 104 Ca -0.00 0.37 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2dhi h ALA 104 Cb 0.54 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2dhi h ALA 104 CO -0.07 -0.46 -0.21 -1.49 0.00 0.00 0.00 179.25 177.01 2dhi h TRP 105 N 0.00 -0.56 -0.57 0.00 4.06 -1.29 -2.91 115.95 114.69 2dhi h TRP 105 Ca 0.53 -0.01 0.06 0.00 2.06 0.00 0.00 58.89 61.53 2dhi h TRP 105 Cb 0.93 0.18 -0.09 0.00 -1.00 0.00 0.00 29.16 29.19 2dhi h TRP 105 CO -0.66 -0.28 -0.56 -0.22 -3.56 0.00 0.00 178.44 173.16 2dhi h LYS 106 N -0.73 -0.28 -0.72 0.49 3.64 -0.22 0.14 116.57 118.90 2dhi h LYS 106 Ca -0.06 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.47 2dhi h LYS 106 Cb 0.53 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 32.27 2dhi h LYS 106 CO 0.10 -0.18 -0.25 0.74 -2.27 0.00 0.00 179.45 177.58 2dhi h PHE 107 N -0.29 -0.63 -0.94 1.91 0.04 -1.24 0.33 116.94 116.13 2dhi h PHE 107 Ca 0.10 0.07 0.01 0.00 2.80 0.00 0.00 57.97 60.96 2dhi h PHE 107 Cb 0.55 0.39 -0.05 0.00 2.20 0.00 0.00 35.95 39.04 2dhi h PHE 107 CO -0.80 -0.35 0.62 1.15 -0.60 0.00 0.00 178.31 178.33 2dhi h THR 108 N -0.05 1.24 0.40 -1.55 2.02 -0.87 -2.33 112.91 111.77 2dhi h THR 108 Ca 0.32 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 2dhi h THR 108 Cb 0.56 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2dhi h THR 108 CO -0.76 0.23 -0.19 -0.07 0.37 0.00 0.00 175.52 175.10 2dhi h LEU 109 N 1.27 -0.46 -0.89 2.58 3.38 0.21 -1.21 115.31 120.19 2dhi h LEU 109 Ca 0.34 -0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.44 2dhi h LEU 109 Cb -0.14 0.12 -0.12 0.00 0.09 0.00 0.00 40.66 40.61 2dhi h LEU 109 CO -0.07 -0.19 0.42 1.56 0.09 0.00 0.00 178.44 180.24 2dhi h GLN 110 N -0.72 0.45 0.59 1.13 4.20 -0.48 -2.05 115.11 118.22 2dhi h GLN 110 Ca -0.06 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 2dhi h GLN 110 Cb 0.51 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.19 2dhi h GLN 110 CO 0.09 0.30 -0.28 0.22 -0.67 0.00 0.00 178.83 178.49 2dhi h ASP 111 N 0.46 -0.67 -1.05 1.46 3.58 -1.28 -3.05 116.42 115.87 2dhi h ASP 111 Ca 0.54 -0.03 0.39 0.00 0.42 0.00 0.00 57.03 58.35 2dhi h ASP 111 Cb 0.98 0.17 -0.13 0.00 1.72 0.00 0.00 39.33 42.07 2dhi h ASP 111 CO -0.49 -0.30 0.64 -1.20 -2.88 0.00 0.00 179.24 175.01 2dhi n SER 112 N -5.33 0.22 -0.04 2.28 7.64 -0.47 -0.47 113.62 117.46 2dhi n SER 112 Ca -0.11 1.27 -0.08 0.00 1.01 0.00 0.00 58.87 60.95 2dhi n SER 112 Cb 0.34 -0.62 -0.06 0.00 -1.01 0.00 0.00 64.21 62.86 2dhi n SER 112 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2dhi h ARG 113 N 0.00 -0.28 -1.30 1.43 3.08 -1.37 -2.65 114.38 113.29 2dhi h ARG 113 Ca 0.74 0.02 -0.67 0.00 0.07 0.00 0.00 59.98 60.14 2dhi h ARG 113 Cb 2.22 0.06 -0.33 0.00 0.08 0.00 0.00 29.97 32.01 2dhi h ARG 113 CO -0.50 -0.19 0.43 -2.37 -1.07 0.00 0.00 179.97 176.28 2dhi n THR 114 N -4.21 3.27 -2.15 2.04 5.66 0.39 -4.63 114.28 114.65 2dhi n THR 114 Ca -0.03 -3.80 -0.43 0.00 -3.05 0.00 0.00 64.05 56.75 2dhi n THR 114 Cb 0.21 -1.19 -0.02 0.00 -1.55 0.00 0.00 70.33 67.77 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 -2.15 6.13 0.00 1.09 1.04 -0.71 -4.87 113.70 114.23 2dhi s SER 115 Ca 0.57 1.17 0.00 0.00 0.48 0.00 0.00 55.95 58.17 2dhi s SER 115 Cb 0.46 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 64.05 2dhi s SER 115 CO -0.14 -1.54 0.00 0.61 0.98 0.00 0.00 173.24 173.15 2dhi n GLY 116 N 5.19 0.02 0.15 7.32 0.00 -1.26 -5.02 105.19 111.59 2dhi n GLY 116 Ca 0.20 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 2dhi n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dhi h PRO 117 N 0.00 0.42 -2.66 1.61 0.13 -2.05 -3.48 132.00 125.96 2dhi h PRO 117 Ca 0.00 -0.22 0.11 0.00 -0.87 0.00 0.00 66.00 65.02 2dhi h PRO 117 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.10 2dhi h PRO 117 CO 0.00 0.78 0.42 -1.54 -0.23 0.00 0.00 178.00 177.44 2dhi s SER 118 N -6.19 -0.09 -0.13 1.44 1.04 -1.26 -5.16 113.70 103.35 2dhi s SER 118 Ca -0.14 -0.70 0.02 0.00 0.48 0.00 0.00 55.95 55.62 2dhi s SER 118 Cb 0.06 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.81 2dhi s SER 118 CO 0.77 -1.19 -0.21 -0.94 0.98 0.00 0.00 173.24 172.65 2dhi s SER 119 N -3.11 2.95 0.00 7.02 1.04 -1.26 -5.12 113.70 115.22 2dhi s SER 119 Ca 0.16 -0.56 0.06 0.00 0.48 0.00 0.00 55.95 56.08 2dhi s SER 119 Cb -0.03 -1.36 0.04 0.00 0.10 0.00 0.00 66.02 64.77 2dhi s SER 119 CO 0.06 0.07 0.68 0.61 0.98 0.00 0.00 173.24 175.64