#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rsi n GLN 2 N 0.00 2.98 -2.26 2.12 6.02 -1.26 -5.00 117.38 119.98 1rsi n GLN 2 Ca 0.00 -2.40 -0.37 0.00 -0.01 0.00 0.00 57.00 54.21 1rsi n GLN 2 Cb 0.00 -1.52 -0.01 0.00 1.02 0.00 0.00 30.24 29.73 1rsi n GLN 2 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1rsi s ASP 3 N -1.29 6.26 0.01 1.08 1.11 -1.26 -5.02 116.67 117.55 1rsi s ASP 3 Ca 0.33 2.33 -0.14 0.00 0.18 0.00 0.00 52.55 55.24 1rsi s ASP 3 Cb 0.21 -2.61 0.02 0.00 1.07 0.00 0.00 42.92 41.62 1rsi s ASP 3 CO 0.15 -0.86 0.30 0.42 1.18 0.00 0.00 175.17 176.36 1rsi s THR 4 N -1.51 0.07 -0.09 -1.27 -4.23 -1.26 -2.78 115.64 104.57 1rsi s THR 4 Ca 0.62 -0.55 0.04 0.00 -1.18 0.00 0.00 61.69 60.62 1rsi s THR 4 Cb -0.29 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 72.82 1rsi s THR 4 CO 0.36 -0.30 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.28 1rsi s ILE 5 N -1.76 1.96 0.13 2.99 1.01 -0.50 -4.93 121.20 120.09 1rsi s ILE 5 Ca -0.11 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.62 1rsi s ILE 5 Cb -0.04 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1rsi s ILE 5 CO 0.02 0.54 -0.10 0.72 0.00 0.00 0.00 174.94 176.11 1rsi s PHE 6 N 0.35 1.21 -0.17 3.97 -0.12 -1.26 -0.57 117.98 121.38 1rsi s PHE 6 Ca -0.18 -0.71 -0.02 0.00 -0.05 0.00 0.00 56.93 55.98 1rsi s PHE 6 Cb -0.18 -0.63 0.05 0.00 -0.63 0.00 0.00 43.02 41.63 1rsi s PHE 6 CO 0.08 0.06 0.01 -0.51 -0.05 0.00 0.00 175.22 174.81 1rsi s LEU 7 N -2.85 1.21 -0.03 -1.99 1.02 0.20 -5.01 118.68 111.23 1rsi s LEU 7 Ca 0.12 -0.66 -0.00 0.00 0.02 0.00 0.00 54.13 53.61 1rsi s LEU 7 Cb 0.00 -0.65 -0.04 0.00 0.02 0.00 0.00 46.19 45.52 1rsi s LEU 7 CO 0.00 -0.26 0.03 -0.54 0.02 0.00 0.00 176.35 175.61 1rsi s LYS 8 N 1.82 2.95 -1.58 1.70 1.02 -1.26 -0.74 119.74 123.64 1rsi s LYS 8 Ca 0.00 -0.50 -0.16 0.00 0.02 0.00 0.00 55.97 55.33 1rsi s LYS 8 Cb -0.16 -2.78 0.13 0.00 -0.52 0.00 0.00 37.83 34.50 1rsi s LYS 8 CO -0.07 0.66 0.77 0.41 -0.92 0.00 0.00 175.35 176.20 1rsi n GLY 9 N 1.56 -0.47 3.77 -3.33 0.00 -1.14 -4.92 105.19 100.66 1rsi n GLY 9 Ca -0.15 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1rsi n GLY 9 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rsi s MET 10 N -6.69 4.29 -0.06 1.61 -1.94 0.38 -4.69 119.30 112.21 1rsi s MET 10 Ca 0.67 2.20 0.03 0.00 -1.71 0.00 0.00 55.69 56.88 1rsi s MET 10 Cb -0.36 -3.01 0.01 0.00 2.01 0.00 0.00 34.83 33.48 1rsi s MET 10 CO 0.82 -0.24 -0.14 1.03 -0.01 0.00 0.00 175.02 176.48 1rsi s ARG 11 N -1.88 1.71 0.03 2.03 0.52 -1.26 0.90 118.95 120.99 1rsi s ARG 11 Ca 0.50 -0.48 0.02 0.00 -0.52 0.00 0.00 55.73 55.25 1rsi s ARG 11 Cb -0.39 -1.43 -0.02 0.00 0.52 0.00 0.00 34.95 33.62 1rsi s ARG 11 CO 0.52 0.11 -0.08 -0.06 0.02 0.00 0.00 175.30 175.82 1rsi s PHE 12 N 0.40 0.66 -0.35 -0.53 0.08 -0.68 -4.97 117.98 112.59 1rsi s PHE 12 Ca -0.10 -0.35 -0.14 0.00 0.12 0.00 0.00 56.93 56.46 1rsi s PHE 12 Cb -0.14 -0.40 -0.01 0.00 -0.57 0.00 0.00 43.02 41.90 1rsi s PHE 12 CO 0.03 -0.04 0.31 -0.47 -0.10 0.00 0.00 175.22 174.95 1rsi s TYR 13 N -0.90 3.22 0.34 0.36 6.14 -1.26 -0.05 117.35 125.20 1rsi s TYR 13 Ca -0.05 -0.17 0.04 0.00 0.64 0.00 0.00 57.07 57.53 1rsi s TYR 13 Cb -0.07 -2.59 -0.03 0.00 0.42 0.00 0.00 41.96 39.68 1rsi s TYR 13 CO 0.00 -0.43 0.16 0.20 0.64 0.00 0.00 175.55 176.12 1rsi s GLY 14 N 1.73 2.25 -0.23 8.97 0.00 0.18 -4.83 107.32 115.38 1rsi s GLY 14 Ca 0.09 -1.66 0.12 0.00 0.00 0.00 0.00 44.72 43.27 1rsi s GLY 14 CO 0.11 -1.65 1.37 -1.72 0.00 0.00 0.00 173.10 171.20 1rsi n TYR 15 N -0.69 0.70 -1.59 1.90 4.02 -1.26 -0.96 117.16 119.29 1rsi n TYR 15 Ca -0.00 -1.34 -0.31 0.00 -0.01 0.00 0.00 57.90 56.24 1rsi n TYR 15 Cb 0.65 -0.36 0.05 0.00 -0.02 0.00 0.00 39.34 39.66 1rsi n TYR 15 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1rsi s HIS 16 N -3.10 3.06 0.00 -0.72 3.76 -1.26 -3.71 115.29 113.32 1rsi s HIS 16 Ca 0.41 1.44 0.00 0.00 -0.15 0.00 0.00 55.06 56.76 1rsi s HIS 16 Cb 0.37 -2.90 0.00 0.00 1.11 0.00 0.00 32.58 31.15 1rsi s HIS 16 CO 0.01 -1.27 0.00 0.41 -0.85 0.00 0.00 174.74 173.04 1rsi n GLY 17 N -1.84 4.51 0.06 -2.22 0.00 -0.77 -4.54 105.19 100.39 1rsi n GLY 17 Ca 0.08 -1.18 0.14 0.00 0.00 0.00 0.00 46.02 45.06 1rsi n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rsi n ALA 18 N -1.87 2.82 -2.80 4.61 0.00 -1.24 -4.51 120.51 117.51 1rsi n ALA 18 Ca 0.00 -0.24 -0.35 0.00 0.00 0.00 0.00 53.44 52.85 1rsi n ALA 18 Cb 0.00 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 18.04 1rsi n ALA 18 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1rsi s LEU 19 N -2.71 3.88 0.19 0.00 2.96 -1.26 -5.01 118.68 116.72 1rsi s LEU 19 Ca 0.21 0.17 -0.19 0.00 -0.22 0.00 0.00 54.13 54.11 1rsi s LEU 19 Cb 0.19 -1.96 0.15 0.00 0.50 0.00 0.00 46.19 45.07 1rsi s LEU 19 CO 0.54 0.26 1.60 0.28 -1.32 0.00 0.00 176.35 177.71 1rsi h SER 20 N 6.05 -0.92 -0.93 3.68 0.02 -2.01 -0.29 113.55 119.15 1rsi h SER 20 Ca -0.43 0.20 0.12 0.00 -0.84 0.00 0.00 61.79 60.84 1rsi h SER 20 Cb 1.18 0.49 -0.08 0.00 0.14 0.00 0.00 62.40 64.13 1rsi h SER 20 CO 0.65 -0.27 0.56 0.00 -1.14 0.00 0.00 176.83 176.63 1rsi h ALA 21 N 1.17 1.40 -0.32 3.77 0.00 -1.98 -2.14 119.26 121.16 1rsi h ALA 21 Ca 0.24 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1rsi h ALA 21 Cb 0.52 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1rsi h ALA 21 CO -0.63 0.13 -0.13 0.93 0.00 0.00 0.00 179.25 179.55 1rsi h GLU 22 N 0.87 -0.07 0.00 0.00 5.08 -1.41 -1.60 114.58 117.45 1rsi h GLU 22 Ca 0.47 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.78 1rsi h GLU 22 Cb 0.50 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1rsi h GLU 22 CO -0.28 -0.04 -0.25 -0.91 -1.00 0.00 0.00 179.01 176.52 1rsi h ASN 23 N -0.07 0.00 0.44 1.42 2.35 -1.21 0.61 115.58 119.12 1rsi h ASN 23 Ca 0.16 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1rsi h ASN 23 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1rsi h ASN 23 CO -0.37 0.25 -0.21 -0.08 -1.65 0.00 0.00 177.43 175.37 1rsi h GLU 24 N 0.00 -0.56 0.07 0.81 4.81 -0.90 -3.39 114.58 115.41 1rsi h GLU 24 Ca -0.00 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1rsi h GLU 24 Cb 0.48 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1rsi h GLU 24 CO 0.03 -0.37 -0.03 0.82 -0.73 0.00 0.00 179.01 178.73 1rsi h ILE 25 N -1.15 1.23 0.00 2.32 2.04 -1.39 -3.51 117.51 117.05 1rsi h ILE 25 Ca -0.06 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1rsi h ILE 25 Cb 0.46 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1rsi h ILE 25 CO 0.10 0.33 0.00 0.61 0.00 0.00 0.00 178.15 179.19 1rsi n GLY 26 N 0.74 -3.44 3.83 5.37 0.00 0.21 -4.99 105.19 106.90 1rsi n GLY 26 Ca -0.08 -1.92 -0.00 0.00 0.00 0.00 0.00 46.02 44.02 1rsi n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rsi s GLN 27 N -0.86 0.80 -0.16 1.61 -2.07 -0.14 -4.99 119.66 113.86 1rsi s GLN 27 Ca 0.00 -0.49 -0.18 0.00 -1.82 0.00 0.00 55.36 52.87 1rsi s GLN 27 Cb 0.00 0.24 -0.04 0.00 -1.09 0.00 0.00 33.01 32.12 1rsi s GLN 27 CO 0.00 -0.37 0.49 0.42 -1.32 0.00 0.00 175.29 174.51 1rsi s ILE 28 N -2.34 5.15 -0.19 3.63 -1.09 -1.26 -0.65 121.20 124.46 1rsi s ILE 28 Ca 0.21 0.95 -0.04 0.00 -2.23 0.00 0.00 60.65 59.53 1rsi s ILE 28 Cb 0.00 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 37.03 1rsi s ILE 28 CO 0.01 0.26 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.59 1rsi s PHE 29 N 1.09 3.01 -0.07 3.97 0.40 0.93 -4.33 117.98 122.99 1rsi s PHE 29 Ca 0.25 -0.47 -0.14 0.00 -0.60 0.00 0.00 56.93 55.97 1rsi s PHE 29 Cb -0.15 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.29 1rsi s PHE 29 CO 0.10 -0.21 0.35 0.21 0.70 0.00 0.00 175.22 176.37 1rsi s LYS 30 N 0.83 3.97 -0.05 0.44 2.20 0.16 -1.69 119.74 125.61 1rsi s LYS 30 Ca -0.00 0.27 0.02 0.00 -0.36 0.00 0.00 55.97 55.90 1rsi s LYS 30 Cb -0.14 -3.29 0.01 0.00 -1.51 0.00 0.00 37.83 32.90 1rsi s LYS 30 CO 0.02 0.54 -0.10 0.08 -0.36 0.00 0.00 175.35 175.54 1rsi s VAL 31 N -0.54 0.90 -0.20 4.02 1.01 0.26 -0.31 120.40 125.54 1rsi s VAL 31 Ca 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1rsi s VAL 31 Cb -0.15 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.42 1rsi s VAL 31 CO 0.10 0.29 -0.16 -1.81 0.00 0.00 0.00 175.10 173.51 1rsi s ASP 32 N 0.54 3.45 -0.16 3.32 1.01 -0.14 -0.47 116.67 124.22 1rsi s ASP 32 Ca -0.10 -0.68 0.01 0.00 0.71 0.00 0.00 52.55 52.49 1rsi s ASP 32 Cb -0.13 -1.53 0.02 0.00 1.01 0.00 0.00 42.92 42.29 1rsi s ASP 32 CO 0.02 -0.02 -0.18 -0.69 0.21 0.00 0.00 175.17 174.50 1rsi s VAL 33 N 1.30 1.88 -0.14 -1.27 1.01 0.08 -1.25 120.40 122.01 1rsi s VAL 33 Ca 0.04 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1rsi s VAL 33 Cb -0.14 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.55 1rsi s VAL 33 CO -0.11 0.51 -0.19 -0.89 0.00 0.00 0.00 175.10 174.43 1rsi s THR 34 N 1.29 1.86 -0.14 3.92 2.01 -0.87 -0.63 115.64 123.08 1rsi s THR 34 Ca 0.03 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 1rsi s THR 34 Cb -0.13 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1rsi s THR 34 CO -0.11 0.51 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.53 1rsi s LEU 35 N 1.07 3.26 -0.42 4.42 1.43 0.26 -1.59 118.68 127.11 1rsi s LEU 35 Ca -0.02 -0.10 -0.26 0.00 -1.03 0.00 0.00 54.13 52.72 1rsi s LEU 35 Cb -0.14 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.32 1rsi s LEU 35 CO -0.06 0.20 0.95 -0.75 0.23 0.00 0.00 176.35 176.93 1rsi s LYS 36 N 0.15 3.70 -0.07 1.70 2.20 -0.18 -1.41 119.74 125.83 1rsi s LYS 36 Ca -0.01 0.41 -0.06 0.00 -0.36 0.00 0.00 55.97 55.94 1rsi s LYS 36 Cb -0.14 -3.87 0.02 0.00 -1.51 0.00 0.00 37.83 32.34 1rsi s LYS 36 CO 0.03 -1.11 0.19 0.08 -0.36 0.00 0.00 175.35 174.18 1rsi s VAL 37 N 3.70 -0.01 -0.22 4.02 1.01 -1.12 -0.32 120.40 127.47 1rsi s VAL 37 Ca 0.39 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.10 1rsi s VAL 37 Cb -0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1rsi s VAL 37 CO 0.23 0.01 1.27 -0.62 0.00 0.00 0.00 175.10 175.99 1rsi s ASP 38 N 0.25 6.84 -0.05 3.32 -1.08 -1.26 -4.03 116.67 120.66 1rsi s ASP 38 Ca -0.01 1.49 0.14 0.00 -0.52 0.00 0.00 52.55 53.64 1rsi s ASP 38 Cb -0.03 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.33 1rsi s ASP 38 CO -0.01 -0.89 1.36 0.18 0.52 0.00 0.00 175.17 176.34 1rsi n LEU 39 N 7.02 3.46 0.07 -1.34 4.77 -1.26 -4.64 117.00 125.07 1rsi n LEU 39 Ca 0.14 -2.28 -0.08 0.00 -0.03 0.00 0.00 56.01 53.76 1rsi n LEU 39 Cb 0.46 -0.36 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1rsi n LEU 39 CO 0.59 0.75 0.38 0.77 -1.33 0.00 0.00 177.39 178.54 1rsi h SER 40 N 2.42 0.38 -0.33 -1.43 4.64 -1.93 0.91 113.55 118.21 1rsi h SER 40 Ca 0.00 -0.25 -0.13 0.00 -0.47 0.00 0.00 61.79 60.94 1rsi h SER 40 Cb 1.00 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 1rsi h SER 40 CO 0.08 0.97 -0.30 -0.08 -0.87 0.00 0.00 176.83 176.63 1rsi h GLU 41 N 0.22 0.79 -0.14 4.77 4.81 -1.88 0.13 114.58 123.28 1rsi h GLU 41 Ca -0.02 -0.40 -0.10 0.00 -0.13 0.00 0.00 59.36 58.70 1rsi h GLU 41 Cb 1.27 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1rsi h GLU 41 CO 0.12 1.03 -0.35 0.00 -0.73 0.00 0.00 179.01 179.08 1rsi h ALA 42 N 0.74 1.14 -0.04 2.92 0.00 -1.70 0.62 119.26 122.94 1rsi h ALA 42 Ca 0.06 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1rsi h ALA 42 Cb 0.87 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1rsi h ALA 42 CO 0.08 0.56 -0.49 0.78 0.00 0.00 0.00 179.25 180.17 1rsi h GLY 43 N 1.12 0.10 0.00 0.00 0.00 -0.45 0.14 103.07 103.99 1rsi h GLY 43 Ca 0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1rsi h GLY 43 CO 0.06 0.10 -0.28 -0.09 0.00 0.00 0.00 176.54 176.33 1rsi h ARG 44 N 0.08 0.00 -0.04 4.80 2.43 -0.13 -3.40 114.38 118.12 1rsi h ARG 44 Ca 0.00 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 1rsi h ARG 44 Cb 0.90 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.47 1rsi h ARG 44 CO 0.07 0.93 -0.96 1.79 -1.51 0.00 0.00 179.97 180.29 1rsi h THR 45 N -1.00 1.29 0.00 0.20 1.35 0.18 -3.48 112.91 111.46 1rsi h THR 45 Ca -0.07 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 1rsi h THR 45 Cb 1.00 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1rsi h THR 45 CO -0.05 0.68 0.00 -0.67 -0.25 0.00 0.00 175.52 175.24 1rsi n ASP 46 N -3.86 -1.72 -4.65 5.36 2.03 0.48 -5.00 116.55 109.19 1rsi n ASP 46 Ca -0.10 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.80 1rsi n ASP 46 Cb 0.84 -0.53 -0.05 0.00 -0.72 0.00 0.00 41.12 40.67 1rsi n ASP 46 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1rsi s ASN 47 N -2.43 6.83 0.27 1.67 3.84 -1.26 -4.92 114.94 118.94 1rsi s ASN 47 Ca 0.00 1.03 0.17 0.00 0.21 0.00 0.00 52.86 54.27 1rsi s ASN 47 Cb 0.00 -2.42 0.92 0.00 -0.55 0.00 0.00 41.25 39.20 1rsi s ASN 47 CO 0.00 -0.43 1.50 0.55 -2.79 0.00 0.00 177.10 175.93 1rsi n VAL 48 N 4.99 1.11 1.39 -5.21 3.14 -1.26 -1.55 118.33 120.95 1rsi n VAL 48 Ca 0.04 0.70 0.14 0.00 -2.96 0.00 0.00 64.34 62.26 1rsi n VAL 48 Cb 0.48 -1.70 0.66 0.00 -1.06 0.00 0.00 33.84 32.23 1rsi n VAL 48 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rsi n ILE 49 N -2.10 0.00 -0.35 1.55 0.13 -1.26 -3.43 119.36 113.90 1rsi n ILE 49 Ca -0.01 -0.03 0.10 0.00 -1.10 0.00 0.00 62.75 61.71 1rsi n ILE 49 Cb 0.07 -0.27 0.28 0.00 -0.84 0.00 0.00 39.64 38.88 1rsi n ILE 49 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 1rsi n ASP 50 N -1.14 3.78 -2.52 9.51 8.00 -0.59 -4.98 116.55 128.60 1rsi n ASP 50 Ca 0.14 -2.05 -0.13 0.00 0.71 0.00 0.00 54.79 53.46 1rsi n ASP 50 Cb 0.27 -0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 40.88 1rsi n ASP 50 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1rsi n THR 51 N 1.30 0.00 -3.82 -3.53 5.66 -1.22 -4.10 114.28 108.57 1rsi n THR 51 Ca 0.21 -1.59 -0.35 0.00 -3.05 0.00 0.00 64.05 59.27 1rsi n THR 51 Cb 0.60 0.83 -0.09 0.00 -1.55 0.00 0.00 70.33 70.12 1rsi n THR 51 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1rsi s VAL 52 N -2.88 5.13 -0.42 1.08 1.01 -1.26 -5.02 120.40 118.04 1rsi s VAL 52 Ca 0.26 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 1rsi s VAL 52 Cb 0.01 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1rsi s VAL 52 CO 0.18 0.43 1.42 -2.28 0.00 0.00 0.00 175.10 174.85 1rsi s HIS 53 N 0.55 2.38 0.36 5.22 2.46 -1.26 -4.94 115.29 120.06 1rsi s HIS 53 Ca 0.06 0.66 0.12 0.00 0.47 0.00 0.00 55.06 56.37 1rsi s HIS 53 Cb -0.12 -4.32 0.68 0.00 -0.13 0.00 0.00 32.58 28.70 1rsi s HIS 53 CO 0.00 -1.99 1.81 0.10 -2.47 0.00 0.00 174.74 172.19 1rsi h TYR 54 N 10.77 0.04 -0.67 3.88 -0.00 -1.98 -3.03 116.97 125.98 1rsi h TYR 54 Ca -0.28 -0.01 0.07 0.00 0.00 0.00 0.00 58.73 58.52 1rsi h TYR 54 Cb 1.11 -0.01 -0.06 0.00 0.00 0.00 0.00 36.73 37.77 1rsi h TYR 54 CO 0.97 0.40 0.35 0.78 -0.00 0.00 0.00 178.16 180.67 1rsi h GLY 55 N 1.13 0.98 1.44 0.10 0.00 -2.00 0.02 103.07 104.74 1rsi h GLY 55 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1rsi h GLY 55 CO 0.05 0.12 0.00 0.83 0.00 0.00 0.00 176.54 177.54 1rsi h GLU 56 N 0.63 0.69 -0.57 4.80 5.08 -1.96 -2.09 114.58 121.17 1rsi h GLU 56 Ca 0.31 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 1rsi h GLU 56 Cb 0.25 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1rsi h GLU 56 CO -0.21 0.71 -0.06 0.28 -1.00 0.00 0.00 179.01 178.73 1rsi h VAL 57 N 0.65 1.27 -0.49 3.13 2.07 -1.12 -1.87 116.25 119.89 1rsi h VAL 57 Ca 0.13 -1.21 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 1rsi h VAL 57 Cb 0.40 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1rsi h VAL 57 CO 0.02 0.43 0.09 0.15 0.02 0.00 0.00 177.57 178.28 1rsi h PHE 58 N 0.93 0.79 -0.36 1.57 3.57 -0.67 -0.70 116.94 122.07 1rsi h PHE 58 Ca 0.16 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1rsi h PHE 58 Cb 0.62 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1rsi h PHE 58 CO 0.04 0.68 0.02 0.93 -2.23 0.00 0.00 178.31 177.76 1rsi h GLU 59 N 0.73 0.62 -0.14 1.11 4.39 -1.07 0.80 114.58 121.02 1rsi h GLU 59 Ca 0.16 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1rsi h GLU 59 Cb 0.32 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1rsi h GLU 59 CO 0.00 0.72 0.07 0.93 -1.16 0.00 0.00 179.01 179.57 1rsi h GLU 60 N 0.45 0.14 0.04 2.33 4.39 -0.77 -0.61 114.58 120.56 1rsi h GLU 60 Ca 0.10 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1rsi h GLU 60 Cb 0.43 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1rsi h GLU 60 CO 0.01 0.10 -0.02 0.28 -1.16 0.00 0.00 179.01 178.22 1rsi h VAL 61 N 0.15 0.99 -0.29 3.13 2.07 -1.05 -2.99 116.25 118.26 1rsi h VAL 61 Ca 0.06 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1rsi h VAL 61 Cb 0.01 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1rsi h VAL 61 CO -0.04 0.03 -0.16 0.50 0.02 0.00 0.00 177.57 177.93 1rsi h LYS 62 N -0.11 -0.12 -0.19 1.57 3.64 -0.61 0.16 116.57 120.91 1rsi h LYS 62 Ca -0.01 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1rsi h LYS 62 Cb 0.10 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1rsi h LYS 62 CO 0.01 -0.08 0.14 0.66 -2.27 0.00 0.00 179.45 177.91 1rsi h SER 63 N -0.12 0.00 0.11 4.20 4.64 -1.09 0.42 113.55 121.71 1rsi h SER 63 Ca 0.15 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.18 1rsi h SER 63 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1rsi h SER 63 CO -0.36 0.00 -1.52 0.40 -0.87 0.00 0.00 176.83 174.48 1rsi h ILE 64 N 0.00 0.95 -0.08 0.95 2.04 -1.20 -2.94 117.51 117.23 1rsi h ILE 64 Ca 0.09 -2.38 -0.08 0.00 1.00 0.00 0.00 64.86 63.48 1rsi h ILE 64 Cb 0.37 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 1rsi h ILE 64 CO -0.00 0.72 -0.33 0.24 0.00 0.00 0.00 178.15 178.78 1rsi h MET 65 N -0.27 0.16 -0.50 2.37 2.86 -0.23 -2.96 114.93 116.36 1rsi h MET 65 Ca -0.33 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1rsi h MET 65 Cb 1.79 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.45 1rsi h MET 65 CO 0.05 0.48 0.00 0.39 1.06 0.00 0.00 176.91 178.89 1rsi n GLU 66 N -4.11 3.53 0.00 1.72 1.02 0.14 -4.55 120.64 118.40 1rsi n GLU 66 Ca -0.01 -2.77 0.00 0.00 -0.02 0.00 0.00 57.16 54.36 1rsi n GLU 66 Cb 0.40 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1rsi n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rsi n GLY 67 N 0.60 2.47 3.29 0.62 0.00 -1.11 -4.99 105.19 106.08 1rsi n GLY 67 Ca 0.23 -2.04 -0.52 0.00 0.00 0.00 0.00 46.02 43.69 1rsi n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rsi n LYS 68 N 0.00 0.00 -2.58 1.61 4.81 -1.26 -4.85 118.16 115.89 1rsi n LYS 68 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1rsi n LYS 68 Cb 0.00 -1.23 -0.03 0.00 0.02 0.00 0.00 35.03 33.79 1rsi n LYS 68 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rsi s ALA 69 N -0.40 3.42 0.05 3.14 0.00 -1.26 -4.97 121.76 121.74 1rsi s ALA 69 Ca 0.76 0.51 0.01 0.00 0.00 0.00 0.00 51.96 53.23 1rsi s ALA 69 Cb -1.07 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 18.59 1rsi s ALA 69 CO 0.54 -0.63 0.04 1.33 0.00 0.00 0.00 175.76 177.04 1rsi n VAL 70 N 4.50 0.00 -0.03 0.00 0.24 -1.26 -4.92 118.33 116.86 1rsi n VAL 70 Ca 0.09 -0.19 -0.02 0.00 -2.04 0.00 0.00 64.34 62.18 1rsi n VAL 70 Cb 0.48 -0.54 -0.01 0.00 -1.47 0.00 0.00 33.84 32.30 1rsi n VAL 70 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1rsi n ASN 71 N -2.14 0.66 -4.89 -1.34 3.02 -1.26 -1.85 115.26 107.45 1rsi n ASN 71 Ca 0.00 0.35 -0.30 0.00 -0.03 0.00 0.00 54.58 54.60 1rsi n ASN 71 Cb 0.06 -0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 38.56 1rsi n ASN 71 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rsi s LEU 72 N -5.88 4.10 0.45 3.41 1.43 -1.26 -2.72 118.68 118.21 1rsi s LEU 72 Ca -0.06 0.80 0.25 0.00 -1.03 0.00 0.00 54.13 54.09 1rsi s LEU 72 Cb 0.01 -3.60 0.70 0.00 0.03 0.00 0.00 46.19 43.33 1rsi s LEU 72 CO 0.09 -0.15 1.73 -0.07 0.23 0.00 0.00 176.35 178.18 1rsi h LEU 73 N 2.03 0.00 -0.87 1.79 3.38 -1.98 -2.63 115.31 117.03 1rsi h LEU 73 Ca -0.47 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 1rsi h LEU 73 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1rsi h LEU 73 CO 0.67 0.12 -0.26 -0.33 0.09 0.00 0.00 178.44 178.74 1rsi h GLU 74 N 0.00 0.54 -0.00 1.13 3.07 -1.98 -1.55 114.58 115.80 1rsi h GLU 74 Ca -0.00 -0.21 -0.16 0.00 -0.50 0.00 0.00 59.36 58.48 1rsi h GLU 74 Cb 0.87 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 1rsi h GLU 74 CO 0.02 0.76 -0.77 1.25 -1.40 0.00 0.00 179.01 178.86 1rsi h HIS 75 N 0.47 0.05 -0.01 4.33 2.76 -1.87 -2.44 115.15 118.44 1rsi h HIS 75 Ca 0.07 -0.02 -0.25 0.00 -2.20 0.00 0.00 60.37 57.96 1rsi h HIS 75 Cb 0.70 -0.01 0.02 0.00 1.55 0.00 0.00 27.41 29.68 1rsi h HIS 75 CO 0.03 0.79 -0.99 -0.07 -1.30 0.00 0.00 177.93 176.38 1rsi h LEU 76 N 0.02 0.88 -0.63 0.26 3.38 -1.34 -2.46 115.31 115.42 1rsi h LEU 76 Ca -0.01 -0.73 -0.14 0.00 0.09 0.00 0.00 57.88 57.08 1rsi h LEU 76 Cb 1.35 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1rsi h LEU 76 CO 0.10 1.50 -0.68 0.00 0.09 0.00 0.00 178.44 179.45 1rsi h ALA 77 N 0.40 0.87 -0.06 1.53 0.00 -1.33 -2.10 119.26 118.57 1rsi h ALA 77 Ca -0.12 -0.62 -0.21 0.00 0.00 0.00 0.00 54.91 53.96 1rsi h ALA 77 Cb 1.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1rsi h ALA 77 CO 0.19 0.85 -0.83 1.49 0.00 0.00 0.00 179.25 180.95 1rsi h GLU 78 N 0.01 0.52 -0.24 0.00 4.57 -1.49 0.69 114.58 118.63 1rsi h GLU 78 Ca -0.01 -0.47 -0.12 0.00 -1.18 0.00 0.00 59.36 57.58 1rsi h GLU 78 Cb 1.21 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 1rsi h GLU 78 CO 0.09 1.11 -0.36 0.00 -1.18 0.00 0.00 179.01 178.66 1rsi h ARG 79 N 0.33 0.54 -0.00 1.92 3.08 -1.35 -1.47 114.38 117.43 1rsi h ARG 79 Ca -0.06 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 1rsi h ARG 79 Cb 1.44 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1rsi h ARG 79 CO 0.15 0.82 -0.01 0.82 -1.07 0.00 0.00 179.97 180.68 1rsi h ILE 80 N 0.45 1.53 -0.89 2.04 2.04 -1.30 -1.97 117.51 119.41 1rsi h ILE 80 Ca 0.05 -1.57 0.02 0.00 1.00 0.00 0.00 64.86 64.36 1rsi h ILE 80 Cb 0.84 2.58 -0.05 0.00 -0.74 0.00 0.00 36.82 39.46 1rsi h ILE 80 CO 0.07 0.41 0.58 0.00 0.00 0.00 0.00 178.15 179.21 1rsi h ALA 81 N 0.34 1.15 0.00 1.87 0.00 -0.87 -1.51 119.26 120.24 1rsi h ALA 81 Ca -0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1rsi h ALA 81 Cb 0.68 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1rsi h ALA 81 CO 0.00 0.48 -0.26 -0.97 0.00 0.00 0.00 179.25 178.51 1rsi h ASN 82 N 1.16 0.00 0.90 0.00 -0.73 -1.33 -2.59 115.58 112.99 1rsi h ASN 82 Ca 0.34 0.00 -0.22 0.00 1.87 0.00 0.00 56.30 58.29 1rsi h ASN 82 Cb -0.07 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.48 1rsi h ASN 82 CO -0.09 0.26 -1.16 -0.09 -0.37 0.00 0.00 177.43 175.97 1rsi h ARG 83 N 0.00 0.00 0.18 6.67 9.65 -0.66 -3.04 114.38 127.17 1rsi h ARG 83 Ca -0.00 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.57 1rsi h ARG 83 Cb 0.87 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.47 1rsi h ARG 83 CO 0.03 0.74 -1.45 0.82 2.80 0.00 0.00 179.97 182.92 1rsi h ILE 84 N 0.00 1.29 -0.37 1.20 2.04 -1.30 -3.14 117.51 117.23 1rsi h ILE 84 Ca -0.10 -2.82 -0.10 0.00 1.00 0.00 0.00 64.86 62.83 1rsi h ILE 84 Cb 1.77 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 40.76 1rsi h ILE 84 CO 0.10 0.85 -0.17 0.78 0.00 0.00 0.00 178.15 179.70 1rsi h ASN 85 N 0.10 0.80 -0.73 1.72 2.35 -1.59 -1.99 115.58 116.24 1rsi h ASN 85 Ca -0.22 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.11 1rsi h ASN 85 Cb 2.06 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 40.18 1rsi h ASN 85 CO 0.22 1.03 0.41 0.28 -1.65 0.00 0.00 177.43 177.71 1rsi h SER 86 N 0.58 0.90 0.98 5.81 0.02 -1.65 -3.13 113.55 117.04 1rsi h SER 86 Ca 0.08 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rsi h SER 86 Cb 0.72 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1rsi h SER 86 CO 0.05 0.73 -0.63 1.56 -1.14 0.00 0.00 176.83 177.40 1rsi h GLN 87 N 1.00 0.00 -4.03 3.45 4.20 -1.54 -3.44 115.11 114.74 1rsi h GLN 87 Ca 0.26 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.45 1rsi h GLN 87 Cb 0.02 0.00 -0.38 0.00 0.30 0.00 0.00 27.48 27.42 1rsi h GLN 87 CO -0.04 0.00 -0.79 0.71 -0.67 0.00 0.00 178.83 178.04 1rsi s TYR 88 N -3.20 1.38 -0.07 2.96 2.02 -0.75 -4.98 117.35 114.70 1rsi s TYR 88 Ca 0.05 -0.79 0.17 0.00 -0.37 0.00 0.00 57.07 56.13 1rsi s TYR 88 Cb 0.12 -1.17 0.28 0.00 -0.40 0.00 0.00 41.96 40.80 1rsi s TYR 88 CO 0.72 -0.53 1.55 -0.97 -1.57 0.00 0.00 175.55 174.75 1rsi h ASN 89 N 8.19 0.00 1.10 2.29 -0.73 -1.87 -3.19 115.58 121.38 1rsi h ASN 89 Ca -0.24 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 57.92 1rsi h ASN 89 Cb 1.12 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.71 1rsi h ASN 89 CO 0.37 0.43 -0.03 0.03 -0.37 0.00 0.00 177.43 177.86 1rsi h ARG 90 N 0.00 0.00 -6.15 6.67 3.08 -1.93 -3.40 114.38 112.64 1rsi h ARG 90 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.48 1rsi h ARG 90 Cb 1.21 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.17 1rsi h ARG 90 CO 0.06 0.03 1.03 0.08 -1.07 0.00 0.00 179.97 180.09 1rsi s VAL 91 N -3.62 3.86 0.29 2.04 1.01 -1.20 -4.38 120.40 118.40 1rsi s VAL 91 Ca 0.02 0.10 0.30 0.00 0.00 0.00 0.00 61.98 62.40 1rsi s VAL 91 Cb 0.09 -4.90 0.33 0.00 0.00 0.00 0.00 36.38 31.90 1rsi s VAL 91 CO 0.57 -1.80 2.03 0.24 0.00 0.00 0.00 175.10 176.14 1rsi h MET 92 N 9.90 0.00 -1.70 2.72 2.86 -0.89 -3.39 114.93 124.42 1rsi h MET 92 Ca -0.21 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.46 1rsi h MET 92 Cb 1.05 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 32.48 1rsi h MET 92 CO 1.28 0.10 0.41 -2.00 1.06 0.00 0.00 176.91 177.76 1rsi s GLU 93 N -3.92 0.69 -0.09 1.72 2.12 -1.24 -1.22 118.70 116.76 1rsi s GLU 93 Ca -0.01 0.36 0.02 0.00 0.36 0.00 0.00 54.97 55.69 1rsi s GLU 93 Cb 0.11 0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.85 1rsi s GLU 93 CO 0.56 -0.18 -0.14 0.99 -0.54 0.00 0.00 175.26 175.96 1rsi s THR 94 N -0.66 1.35 -0.18 -1.70 2.01 0.36 -1.01 115.64 115.82 1rsi s THR 94 Ca -0.02 -0.57 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 1rsi s THR 94 Cb -0.02 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 1rsi s THR 94 CO 0.01 0.41 -0.08 -0.75 -0.69 0.00 0.00 174.62 173.53 1rsi s LYS 95 N 0.89 3.42 -0.15 4.92 2.20 -0.62 0.30 119.74 130.70 1rsi s LYS 95 Ca -0.09 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 54.89 1rsi s LYS 95 Cb -0.15 -2.85 0.02 0.00 -1.51 0.00 0.00 37.83 33.33 1rsi s LYS 95 CO 0.01 0.02 -0.16 0.08 -0.36 0.00 0.00 175.35 174.93 1rsi s VAL 96 N 0.89 1.74 -0.22 4.02 1.01 0.62 -2.06 120.40 126.40 1rsi s VAL 96 Ca -0.02 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1rsi s VAL 96 Cb -0.15 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1rsi s VAL 96 CO 0.01 0.49 -0.04 -0.60 0.00 0.00 0.00 175.10 174.95 1rsi s ARG 97 N 1.34 3.39 -0.13 2.72 3.52 -0.38 -1.25 118.95 128.17 1rsi s ARG 97 Ca 0.03 -0.62 0.02 0.00 -0.13 0.00 0.00 55.73 55.03 1rsi s ARG 97 Cb -0.13 -3.00 -0.00 0.00 -1.56 0.00 0.00 34.95 30.26 1rsi s ARG 97 CO -0.10 -0.17 -0.20 0.42 -0.81 0.00 0.00 175.30 174.44 1rsi s ILE 98 N 1.41 2.38 -0.07 4.11 1.01 -0.45 -0.96 121.20 128.62 1rsi s ILE 98 Ca 0.05 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.87 1rsi s ILE 98 Cb -0.14 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 1rsi s ILE 98 CO -0.03 0.54 -0.25 -0.89 0.00 0.00 0.00 174.94 174.32 1rsi s THR 99 N 0.56 2.06 -0.51 2.92 2.01 0.57 -2.06 115.64 121.19 1rsi s THR 99 Ca -0.12 -1.06 -0.09 0.00 0.31 0.00 0.00 61.69 60.74 1rsi s THR 99 Cb -0.16 -1.75 0.13 0.00 0.01 0.00 0.00 72.50 70.73 1rsi s THR 99 CO 0.04 0.57 0.39 -0.54 -0.69 0.00 0.00 174.62 174.38 1rsi s LYS 100 N -0.06 2.57 0.43 4.92 1.02 0.14 -0.67 119.74 128.08 1rsi s LYS 100 Ca -0.07 -1.89 0.24 0.00 0.02 0.00 0.00 55.97 54.27 1rsi s LYS 100 Cb -0.15 -3.95 0.63 0.00 -0.52 0.00 0.00 37.83 33.84 1rsi s LYS 100 CO 0.05 -1.20 1.70 0.93 -0.92 0.00 0.00 175.35 175.91 1rsi h GLU 101 N 8.28 0.00 -2.07 1.68 5.08 -1.80 -1.24 114.58 124.51 1rsi h GLU 101 Ca -0.17 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.66 1rsi h GLU 101 Cb 1.06 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.91 1rsi h GLU 101 CO 0.84 0.16 -1.01 0.09 -1.00 0.00 0.00 179.01 178.09 1rsi n ASN 102 N -3.19 1.67 -4.87 1.42 3.02 -1.26 -4.40 115.26 107.65 1rsi n ASN 102 Ca 0.02 -3.11 -0.29 0.00 -0.03 0.00 0.00 54.58 51.17 1rsi n ASN 102 Cb 0.50 -0.62 0.09 0.00 -0.61 0.00 0.00 39.78 39.15 1rsi n ASN 102 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1rsi s PRO 103 N -2.33 1.97 -0.62 3.52 0.04 -1.26 -4.88 135.00 131.44 1rsi s PRO 103 Ca 0.40 0.23 -0.06 0.00 0.04 0.00 0.00 61.00 61.62 1rsi s PRO 103 Cb 0.27 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.76 1rsi s PRO 103 CO -0.09 -1.61 2.44 -2.30 0.04 0.00 0.00 177.00 175.47 1rsi n PRO 104 N -3.35 1.99 -3.97 0.56 -0.02 -1.26 -4.78 135.00 124.17 1rsi n PRO 104 Ca 0.07 -1.22 -0.34 0.00 -2.02 0.00 0.00 63.50 60.00 1rsi n PRO 104 Cb 0.60 -2.23 -0.14 0.00 -0.02 0.00 0.00 33.50 31.70 1rsi n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1rsi s ILE 105 N 2.48 2.70 -0.74 4.25 1.01 -1.26 -5.05 121.20 124.59 1rsi s ILE 105 Ca 0.46 -1.45 -0.25 0.00 0.00 0.00 0.00 60.65 59.41 1rsi s ILE 105 Cb 0.16 -2.56 -0.14 0.00 0.01 0.00 0.00 42.46 39.93 1rsi s ILE 105 CO -0.02 -0.07 2.41 -2.65 0.00 0.00 0.00 174.94 174.61 1rsi n PRO 106 N 4.56 0.61 -3.23 2.79 -0.02 -1.26 -4.77 135.00 133.68 1rsi n PRO 106 Ca -0.14 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 60.80 1rsi n PRO 106 Cb 0.43 -3.34 0.00 0.00 -0.02 0.00 0.00 33.50 30.57 1rsi n PRO 106 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rsi n GLY 107 N 6.49 -1.44 3.06 -1.23 0.00 -1.26 -5.11 105.19 105.70 1rsi n GLY 107 Ca 0.47 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 1rsi n GLY 107 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rsi s HIS 108 N -2.30 3.00 0.23 1.61 3.76 -1.26 -5.08 115.29 115.24 1rsi s HIS 108 Ca 0.00 -2.05 -0.14 0.00 -0.15 0.00 0.00 55.06 52.71 1rsi s HIS 108 Cb 0.00 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.83 1rsi s HIS 108 CO 0.00 -0.84 0.50 1.52 -0.85 0.00 0.00 174.74 175.07 1rsi s TYR 109 N 1.20 0.21 -0.14 1.40 -0.85 -1.26 -5.05 117.35 112.85 1rsi s TYR 109 Ca -0.05 -0.58 0.17 0.00 -0.52 0.00 0.00 57.07 56.10 1rsi s TYR 109 Cb -0.18 0.27 -0.09 0.00 0.38 0.00 0.00 41.96 42.34 1rsi s TYR 109 CO -0.07 -0.99 0.93 -0.44 -1.52 0.00 0.00 175.55 173.47 1rsi h ASP 110 N 2.24 0.00 0.00 -0.18 3.32 -1.98 -3.50 116.42 116.32 1rsi h ASP 110 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1rsi h ASP 110 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1rsi h ASP 110 CO 0.35 0.50 0.00 0.61 -1.72 0.00 0.00 179.24 178.98 1rsi n GLY 111 N 1.35 2.72 3.25 2.75 0.00 -1.26 -4.65 105.19 109.34 1rsi n GLY 111 Ca -0.07 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.80 1rsi n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rsi s VAL 112 N -2.00 1.39 -0.01 1.61 -7.23 -0.47 -4.97 120.40 108.73 1rsi s VAL 112 Ca 0.00 -1.67 -0.04 0.00 -1.81 0.00 0.00 61.98 58.47 1rsi s VAL 112 Cb 0.00 -1.50 0.01 0.00 0.56 0.00 0.00 36.38 35.45 1rsi s VAL 112 CO 0.00 -0.34 0.16 0.61 -0.31 0.00 0.00 175.10 175.22 1rsi n GLY 113 N 0.66 0.44 3.21 2.32 0.00 -1.26 0.24 105.19 110.81 1rsi n GLY 113 Ca -0.16 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 1rsi n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rsi s ILE 114 N -2.05 0.53 -0.15 -0.61 -5.25 -0.87 -5.01 121.20 107.78 1rsi s ILE 114 Ca 0.04 -1.96 -0.09 0.00 -0.99 0.00 0.00 60.65 57.66 1rsi s ILE 114 Cb -0.00 -2.07 0.05 0.00 2.95 0.00 0.00 42.46 43.39 1rsi s ILE 114 CO -0.00 -0.50 0.36 -0.70 -1.79 0.00 0.00 174.94 172.31 1rsi s GLU 115 N -3.94 0.34 0.11 0.37 2.12 -1.26 -1.34 118.70 115.10 1rsi s GLU 115 Ca 0.23 0.69 0.07 0.00 0.36 0.00 0.00 54.97 56.32 1rsi s GLU 115 Cb 0.06 -0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 1rsi s GLU 115 CO 0.03 -0.15 -0.18 0.96 -0.54 0.00 0.00 175.26 175.38 1rsi s ILE 116 N 1.23 1.54 -0.11 -3.70 -4.36 -0.38 -4.98 121.20 110.43 1rsi s ILE 116 Ca -0.08 -1.59 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 1rsi s ILE 116 Cb -0.08 -1.50 0.02 0.00 1.25 0.00 0.00 42.46 42.15 1rsi s ILE 116 CO -0.10 -0.21 -0.11 -0.69 0.24 0.00 0.00 174.94 174.08 1rsi s VAL 117 N -1.53 1.21 -0.19 8.37 1.01 -1.26 -0.27 120.40 127.73 1rsi s VAL 117 Ca 0.07 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1rsi s VAL 117 Cb -0.08 -1.17 0.05 0.00 0.00 0.00 0.00 36.38 35.18 1rsi s VAL 117 CO 0.04 0.39 -0.04 -0.13 0.00 0.00 0.00 175.10 175.37 1rsi s ARG 118 N 1.39 1.34 0.55 2.72 1.81 0.15 -4.97 118.95 121.95 1rsi s ARG 118 Ca 0.00 -0.64 -0.19 0.00 -1.72 0.00 0.00 55.73 53.19 1rsi s ARG 118 Cb -0.13 -2.20 -0.05 0.00 -0.45 0.00 0.00 34.95 32.12 1rsi s ARG 118 CO -0.06 -0.52 1.10 -1.83 -0.68 0.00 0.00 175.30 173.31 1rsi s GLU 119 N 1.61 3.35 -0.12 3.54 -1.05 -1.26 -0.49 118.70 124.27 1rsi s GLU 119 Ca -0.02 1.50 -0.23 0.00 -0.15 0.00 0.00 54.97 56.07 1rsi s GLU 119 Cb -0.17 -2.02 -0.03 0.00 -0.44 0.00 0.00 34.13 31.48 1rsi s GLU 119 CO -0.07 -0.83 0.71 1.21 0.95 0.00 0.00 175.26 177.23 1rsi s ASN 120 N -2.02 6.90 0.00 0.83 3.84 -0.36 -4.86 114.94 119.27 1rsi s ASN 120 Ca 0.70 1.09 0.22 0.00 0.21 0.00 0.00 52.86 55.08 1rsi s ASN 120 Cb -0.21 -2.40 0.17 0.00 -0.55 0.00 0.00 41.25 38.26 1rsi s ASN 120 CO 0.29 -0.22 1.19 0.29 -2.79 0.00 0.00 177.10 175.86