#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1upi s LYS 2 N 0.00 4.31 -0.13 2.12 2.20 -0.52 -4.81 119.74 122.91 1upi s LYS 2 Ca 0.00 2.03 0.01 0.00 -0.36 0.00 0.00 55.97 57.65 1upi s LYS 2 Cb 0.00 -3.40 0.02 0.00 -1.51 0.00 0.00 37.83 32.94 1upi s LYS 2 CO 0.00 -0.49 -0.14 0.00 -0.36 0.00 0.00 175.35 174.36 1upi s ALA 3 N 1.68 1.72 -0.17 3.13 0.00 -1.26 -0.03 121.76 126.83 1upi s ALA 3 Ca 0.64 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.83 1upi s ALA 3 Cb -0.34 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 21.85 1upi s ALA 3 CO 0.29 -0.27 -0.18 0.50 0.00 0.00 0.00 175.76 176.10 1upi s ARG 4 N 1.33 2.73 0.27 0.00 3.52 0.35 -4.97 118.95 122.18 1upi s ARG 4 Ca 0.01 -0.74 -0.30 0.00 -0.13 0.00 0.00 55.73 54.57 1upi s ARG 4 Cb -0.14 -2.41 -0.10 0.00 -1.56 0.00 0.00 34.95 30.74 1upi s ARG 4 CO -0.07 -0.23 1.47 -2.00 -0.81 0.00 0.00 175.30 173.66 1upi s GLU 5 N 1.36 4.23 0.93 5.12 2.12 -1.26 -0.65 118.70 130.54 1upi s GLU 5 Ca 0.05 2.37 -0.15 0.00 0.36 0.00 0.00 54.97 57.60 1upi s GLU 5 Cb -0.13 -3.08 0.17 0.00 0.26 0.00 0.00 34.13 31.34 1upi s GLU 5 CO -0.12 -0.46 1.27 -0.51 -0.54 0.00 0.00 175.26 174.90 1upi s LEU 6 N -0.55 2.57 0.59 2.70 1.43 0.19 -4.89 118.68 120.72 1upi s LEU 6 Ca 0.59 0.44 0.36 0.00 -1.03 0.00 0.00 54.13 54.49 1upi s LEU 6 Cb -0.43 -2.61 1.85 0.00 0.03 0.00 0.00 46.19 45.03 1upi s LEU 6 CO 0.46 -2.54 2.19 0.44 0.23 0.00 0.00 176.35 177.12 1upi h ASP 7 N -1.51 0.00 -3.43 2.29 3.32 -1.92 -3.34 116.42 111.84 1upi h ASP 7 Ca -0.45 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 55.95 1upi h ASP 7 Cb 1.27 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.66 1upi h ASP 7 CO 0.46 0.04 0.19 -0.69 -1.72 0.00 0.00 179.24 177.52 1upi s VAL 8 N -4.10 4.76 0.38 -1.35 1.01 -1.26 -4.99 120.40 114.84 1upi s VAL 8 Ca -0.03 -0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.66 1upi s VAL 8 Cb 0.12 -4.29 -0.11 0.00 0.00 0.00 0.00 36.38 32.10 1upi s VAL 8 CO 0.51 -0.75 1.41 -2.65 0.00 0.00 0.00 175.10 173.62 1upi n PRO 9 N 6.45 2.42 -0.58 2.72 -0.02 -1.25 -1.75 135.00 142.99 1upi n PRO 9 Ca -0.02 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1upi n PRO 9 Cb 0.47 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1upi n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1upi n GLY 10 N 0.58 0.76 3.28 -1.23 0.00 -1.26 -5.01 105.19 102.32 1upi n GLY 10 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1upi n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upi s ALA 11 N -2.75 2.02 0.02 4.61 0.00 -0.72 -1.92 121.76 123.02 1upi s ALA 11 Ca 0.00 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1upi s ALA 11 Cb 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1upi s ALA 11 CO 0.00 0.49 -0.08 -1.58 0.00 0.00 0.00 175.76 174.58 1upi s TRP 12 N -0.53 0.72 -0.24 0.00 0.51 -0.10 -0.63 118.94 118.67 1upi s TRP 12 Ca 0.08 -0.30 -0.13 0.00 -2.12 0.00 0.00 56.10 53.63 1upi s TRP 12 Cb -0.10 -0.44 -0.04 0.00 -0.81 0.00 0.00 33.47 32.08 1upi s TRP 12 CO -0.01 -0.03 0.28 -2.00 -0.51 0.00 0.00 176.95 174.69 1upi s GLU 13 N -0.88 4.08 -0.14 4.98 2.12 0.17 -0.68 118.70 128.36 1upi s GLU 13 Ca -0.02 -0.06 -0.03 0.00 0.36 0.00 0.00 54.97 55.22 1upi s GLU 13 Cb -0.06 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 1upi s GLU 13 CO 0.00 -0.06 -0.04 0.42 -0.54 0.00 0.00 175.26 175.04 1upi s ILE 14 N 1.40 3.87 -0.17 -3.70 -1.09 0.13 -0.50 121.20 121.14 1upi s ILE 14 Ca 0.13 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.17 1upi s ILE 14 Cb -0.15 -2.68 0.01 0.00 -1.58 0.00 0.00 42.46 38.06 1upi s ILE 14 CO 0.07 0.51 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.25 1upi s THR 15 N 0.14 2.49 0.70 2.92 2.01 0.96 -0.30 115.64 124.56 1upi s THR 15 Ca -0.01 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.06 1upi s THR 15 Cb -0.14 -2.06 0.01 0.00 0.01 0.00 0.00 72.50 70.32 1upi s THR 15 CO 0.03 0.51 1.08 -2.16 -0.69 0.00 0.00 174.62 173.39 1upi s PRO 16 N 1.11 2.94 -0.37 4.92 0.04 -1.26 -1.44 135.00 140.94 1upi s PRO 16 Ca 0.00 0.60 -0.21 0.00 0.04 0.00 0.00 61.00 61.44 1upi s PRO 16 Cb -0.14 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1upi s PRO 16 CO -0.06 -1.01 0.68 0.99 0.04 0.00 0.00 177.00 177.64 1upi s THR 17 N -3.26 4.84 -0.25 1.26 2.01 -1.26 -4.87 115.64 114.11 1upi s THR 17 Ca 0.58 0.61 -0.12 0.00 0.31 0.00 0.00 61.69 63.07 1upi s THR 17 Cb -0.12 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 1upi s THR 17 CO 0.53 -0.38 0.21 -0.63 -0.69 0.00 0.00 174.62 173.66 1upi s ILE 18 N 2.83 5.31 -0.28 1.82 1.01 -1.26 -4.43 121.20 126.19 1upi s ILE 18 Ca 0.26 0.26 -0.13 0.00 0.00 0.00 0.00 60.65 61.04 1upi s ILE 18 Cb -0.14 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1upi s ILE 18 CO 0.16 0.28 0.28 -1.00 0.00 0.00 0.00 174.94 174.66 1upi s HIS 19 N 1.43 3.23 -0.08 3.97 3.76 -0.07 -4.97 115.29 122.57 1upi s HIS 19 Ca 0.09 0.22 0.01 0.00 -0.15 0.00 0.00 55.06 55.23 1upi s HIS 19 Cb -0.15 -2.48 -0.03 0.00 1.11 0.00 0.00 32.58 31.04 1upi s HIS 19 CO 0.08 -0.21 -0.09 0.08 -0.85 0.00 0.00 174.74 173.75 1upi s VAL 20 N 1.90 3.53 0.09 -0.90 1.01 -1.26 -1.22 120.40 123.56 1upi s VAL 20 Ca 0.11 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1upi s VAL 20 Cb -0.16 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.78 1upi s VAL 20 CO 0.11 0.58 0.15 -0.90 0.00 0.00 0.00 175.10 175.03 1upi n ASP 21 N 2.54 -0.43 0.26 3.32 5.68 0.13 -5.00 116.55 123.05 1upi n ASP 21 Ca -0.18 -1.47 0.10 0.00 -0.50 0.00 0.00 54.79 52.74 1upi n ASP 21 Cb 0.53 0.76 0.69 0.00 -1.14 0.00 0.00 41.12 41.96 1upi n ASP 21 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1upi h SER 22 N 0.51 0.00 1.51 -1.12 4.64 -2.03 -2.08 113.55 114.99 1upi h SER 22 Ca -0.08 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.18 1upi h SER 22 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1upi h SER 22 CO 0.10 0.06 -0.33 0.03 -0.87 0.00 0.00 176.83 175.82 1upi h ARG 23 N 0.00 0.00 0.00 4.77 3.08 -2.00 -3.50 114.38 116.73 1upi h ARG 23 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1upi h ARG 23 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1upi h ARG 23 CO 0.01 0.33 0.00 0.41 -1.07 0.00 0.00 179.97 179.64 1upi n GLY 24 N 0.99 0.33 3.11 0.04 0.00 -0.78 -5.11 105.19 103.77 1upi n GLY 24 Ca 0.02 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.19 1upi n GLY 24 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1upi s LEU 25 N 0.00 2.28 0.01 0.99 0.05 -1.26 -0.70 118.68 120.05 1upi s LEU 25 Ca 0.00 -1.06 -0.01 0.00 0.05 0.00 0.00 54.13 53.11 1upi s LEU 25 Cb 0.00 0.23 -0.01 0.00 -2.05 0.00 0.00 46.19 44.36 1upi s LEU 25 CO 0.00 -0.64 0.01 0.12 -0.55 0.00 0.00 176.35 175.29 1upi s PHE 26 N -3.96 0.15 0.16 3.48 2.19 -0.35 -4.99 117.98 114.66 1upi s PHE 26 Ca 0.12 -0.31 -0.15 0.00 0.33 0.00 0.00 56.93 56.92 1upi s PHE 26 Cb 0.08 -0.12 0.02 0.00 -1.31 0.00 0.00 43.02 41.69 1upi s PHE 26 CO -0.07 -0.15 0.42 -0.59 1.83 0.00 0.00 175.22 176.66 1upi s PHE 27 N -1.04 -0.03 -0.34 10.12 -0.71 -1.26 -0.89 117.98 123.83 1upi s PHE 27 Ca -0.11 -0.32 -0.18 0.00 -1.04 0.00 0.00 56.93 55.28 1upi s PHE 27 Cb -0.07 0.23 -0.01 0.00 -1.21 0.00 0.00 43.02 41.97 1upi s PHE 27 CO -0.00 -0.79 0.53 -1.21 -1.34 0.00 0.00 175.22 172.41 1upi s GLU 28 N -3.87 3.67 -0.04 1.99 2.02 -1.26 -4.94 118.70 116.26 1upi s GLU 28 Ca 0.08 -0.09 -0.24 0.00 0.02 0.00 0.00 54.97 54.74 1upi s GLU 28 Cb 0.01 -3.79 -0.18 0.00 0.10 0.00 0.00 34.13 30.26 1upi s GLU 28 CO -0.06 -0.63 1.05 2.35 0.02 0.00 0.00 175.26 178.00 1upi h TRP 29 N 8.42 -0.13 -4.24 1.61 7.01 -1.99 -3.45 115.95 123.18 1upi h TRP 29 Ca -0.28 -0.00 -0.54 0.00 2.11 0.00 0.00 58.89 60.18 1upi h TRP 29 Cb 1.12 0.04 -0.28 0.00 -2.10 0.00 0.00 29.16 27.95 1upi h TRP 29 CO 0.73 0.36 -0.83 -1.17 -2.79 0.00 0.00 178.44 174.74 1upi s LEU 30 N -9.07 2.09 0.06 0.65 0.20 -1.26 -5.02 118.68 106.33 1upi s LEU 30 Ca -0.15 -0.39 0.05 0.00 0.69 0.00 0.00 54.13 54.33 1upi s LEU 30 Cb 0.01 -0.87 -0.03 0.00 -0.43 0.00 0.00 46.19 44.87 1upi s LEU 30 CO 0.58 0.17 -0.14 0.42 -0.29 0.00 0.00 176.35 177.09 1upi s THR 31 N -0.58 1.06 0.20 3.68 -4.23 -1.26 -5.04 115.64 109.48 1upi s THR 31 Ca 0.06 -1.23 -0.10 0.00 -1.18 0.00 0.00 61.69 59.24 1upi s THR 31 Cb -0.07 -1.02 0.13 0.00 1.34 0.00 0.00 72.50 72.88 1upi s THR 31 CO 0.00 -0.20 1.80 -0.78 -0.54 0.00 0.00 174.62 174.91 1upi h ASP 32 N 4.42 0.92 -0.53 3.99 3.58 -1.99 0.39 116.42 127.20 1upi h ASP 32 Ca -0.40 -0.11 -0.10 0.00 0.42 0.00 0.00 57.03 56.83 1upi h ASP 32 Cb 1.19 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.99 1upi h ASP 32 CO 0.41 0.77 -0.08 1.12 -2.88 0.00 0.00 179.24 178.58 1upi h HIS 33 N 1.00 1.09 -0.33 0.28 2.07 -1.99 0.69 115.15 117.97 1upi h HIS 33 Ca 0.25 -0.22 -0.08 0.00 -2.85 0.00 0.00 60.37 57.47 1upi h HIS 33 Cb 0.08 -0.27 -0.01 0.00 2.57 0.00 0.00 27.41 29.77 1upi h HIS 33 CO 0.00 1.02 -0.10 0.78 -3.07 0.00 0.00 177.93 176.56 1upi h GLY 34 N 0.85 0.70 0.83 6.13 0.00 -1.91 -2.41 103.07 107.26 1upi h GLY 34 Ca 0.14 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1upi h GLY 34 CO 0.04 0.54 -0.12 -2.75 0.00 0.00 0.00 176.54 174.25 1upi h PHE 35 N 0.42 -0.31 -0.72 5.60 3.04 -0.74 -2.91 116.94 121.32 1upi h PHE 35 Ca 0.08 -0.01 0.15 0.00 3.98 0.00 0.00 57.97 62.17 1upi h PHE 35 Cb 0.61 0.10 -0.05 0.00 2.56 0.00 0.00 35.95 39.17 1upi h PHE 35 CO 0.05 -0.07 0.49 0.00 -2.02 0.00 0.00 178.31 176.76 1upi h ARG 36 N -0.50 0.34 -0.90 1.11 3.08 -0.83 0.44 114.38 117.12 1upi h ARG 36 Ca -0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1upi h ARG 36 Cb 0.38 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1upi h ARG 36 CO 0.06 0.23 0.52 0.00 -1.07 0.00 0.00 179.97 179.70 1upi h ALA 37 N 1.66 1.22 0.01 0.04 0.00 -1.22 0.39 119.26 121.36 1upi h ALA 37 Ca 0.35 -0.11 -0.37 0.00 0.00 0.00 0.00 54.91 54.78 1upi h ALA 37 Cb 0.87 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1upi h ALA 37 CO -0.10 0.65 -2.29 1.97 0.00 0.00 0.00 179.25 179.47 1upi n PHE 38 N -4.35 0.27 0.37 0.00 1.16 -0.87 -4.55 117.46 109.48 1upi n PHE 38 Ca 0.10 0.08 0.11 0.00 -1.87 0.00 0.00 57.45 55.87 1upi n PHE 38 Cb 0.08 -1.04 0.04 0.00 -1.61 0.00 0.00 39.48 36.94 1upi n PHE 38 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1upi n ALA 39 N -2.93 2.94 -0.90 1.98 0.00 0.09 -4.97 120.51 116.72 1upi n ALA 39 Ca -0.35 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1upi n ALA 39 Cb 1.07 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1upi n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1upi n GLY 40 N 1.29 0.49 3.72 0.00 0.00 0.13 -4.97 105.19 105.86 1upi n GLY 40 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1upi n GLY 40 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1upi s HIS 41 N -2.33 0.19 0.18 1.61 -3.43 -1.25 -4.42 115.29 105.83 1upi s HIS 41 Ca 0.00 -0.64 -0.19 0.00 -0.80 0.00 0.00 55.06 53.43 1upi s HIS 41 Cb 0.00 0.49 -0.08 0.00 -1.43 0.00 0.00 32.58 31.56 1upi s HIS 41 CO 0.00 -1.22 0.67 -1.12 -2.00 0.00 0.00 174.74 171.07 1upi s SER 42 N -3.02 7.05 -0.23 7.38 0.01 -1.26 -3.82 113.70 119.81 1upi s SER 42 Ca 0.18 1.36 -0.29 0.00 1.31 0.00 0.00 55.95 58.50 1upi s SER 42 Cb -0.04 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1upi s SER 42 CO 0.10 0.10 1.18 -0.22 0.41 0.00 0.00 173.24 174.82 1upi s LEU 43 N -1.75 4.06 -0.90 2.44 2.96 -1.26 -4.98 118.68 119.24 1upi s LEU 43 Ca 0.39 1.41 -0.19 0.00 -0.22 0.00 0.00 54.13 55.52 1upi s LEU 43 Cb -0.17 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.09 1upi s LEU 43 CO 0.21 -0.82 1.12 -0.62 -1.32 0.00 0.00 176.35 174.92 1upi s ASP 44 N 1.89 6.56 -0.47 3.68 2.15 -1.26 -4.99 116.67 124.23 1upi s ASP 44 Ca 0.51 -1.87 -0.28 0.00 0.43 0.00 0.00 52.55 51.34 1upi s ASP 44 Cb -0.17 -2.41 0.01 0.00 -0.30 0.00 0.00 42.92 40.05 1upi s ASP 44 CO 0.14 -1.14 1.41 -0.69 -0.17 0.00 0.00 175.17 174.72 1upi s VAL 45 N 3.01 3.87 -0.41 1.11 1.01 -1.26 -3.95 120.40 123.77 1upi s VAL 45 Ca 0.32 0.84 0.17 0.00 0.00 0.00 0.00 61.98 63.31 1upi s VAL 45 Cb -0.06 -4.30 -0.22 0.00 0.00 0.00 0.00 36.38 31.80 1upi s VAL 45 CO -0.07 -0.91 0.54 0.54 0.00 0.00 0.00 175.10 175.20 1upi n ARG 46 N 8.28 1.08 -3.56 2.72 1.74 -1.26 -5.00 116.66 120.65 1upi n ARG 46 Ca 0.15 -0.07 -0.16 0.00 -0.77 0.00 0.00 57.85 56.99 1upi n ARG 46 Cb 0.48 -1.33 -0.06 0.00 -1.02 0.00 0.00 32.46 30.53 1upi n ARG 46 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1upi s GLN 47 N -2.85 0.96 -0.06 5.56 0.74 -1.26 -4.51 119.66 118.24 1upi s GLN 47 Ca 0.00 0.48 -0.00 0.00 0.05 0.00 0.00 55.36 55.89 1upi s GLN 47 Cb 0.12 0.46 0.02 0.00 1.10 0.00 0.00 33.01 34.71 1upi s GLN 47 CO 0.69 -0.25 -0.03 0.08 -0.55 0.00 0.00 175.29 175.22 1upi s VAL 48 N -0.70 0.53 0.21 1.34 1.01 -1.26 -4.50 120.40 117.03 1upi s VAL 48 Ca -0.07 -0.04 0.10 0.00 0.00 0.00 0.00 61.98 61.96 1upi s VAL 48 Cb -0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1upi s VAL 48 CO 0.07 0.26 -0.10 0.20 0.00 0.00 0.00 175.10 175.52 1upi s ASN 49 N 1.45 4.16 -0.02 3.32 -0.87 -0.51 -4.96 114.94 117.51 1upi s ASN 49 Ca -0.02 -0.68 -0.01 0.00 -1.57 0.00 0.00 52.86 50.58 1upi s ASN 49 Cb -0.13 -0.65 0.02 0.00 -0.02 0.00 0.00 41.25 40.47 1upi s ASN 49 CO -0.03 0.07 0.05 0.00 -2.57 0.00 0.00 177.10 174.62 1upi s SER 51 N 0.76 2.16 -0.08 0.00 1.04 -0.08 -4.98 113.70 112.52 1upi s SER 51 Ca -0.06 -0.74 0.04 0.00 0.48 0.00 0.00 55.95 55.67 1upi s SER 51 Cb -0.09 -0.10 -0.00 0.00 0.10 0.00 0.00 66.02 65.94 1upi s SER 51 CO -0.03 -0.06 -0.22 -0.69 0.98 0.00 0.00 173.24 173.22 1upi s VAL 52 N -1.68 1.89 0.01 5.02 1.01 -1.26 -0.74 120.40 124.65 1upi s VAL 52 Ca 0.07 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.16 1upi s VAL 52 Cb -0.07 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 1upi s VAL 52 CO 0.04 0.52 -0.14 -0.44 0.00 0.00 0.00 175.10 175.08 1upi s SER 53 N 0.27 1.69 0.65 3.32 0.01 0.10 -4.93 113.70 114.81 1upi s SER 53 Ca -0.15 -0.33 -0.06 0.00 1.31 0.00 0.00 55.95 56.72 1upi s SER 53 Cb -0.17 -0.16 0.04 0.00 0.21 0.00 0.00 66.02 65.94 1upi s SER 53 CO 0.07 0.13 0.96 -0.94 0.41 0.00 0.00 173.24 173.86 1upi s SER 54 N -0.63 5.15 0.24 2.44 1.04 -1.26 -1.26 113.70 119.42 1upi s SER 54 Ca 0.04 0.54 -0.31 0.00 0.48 0.00 0.00 55.95 56.70 1upi s SER 54 Cb -0.06 -1.34 -0.13 0.00 0.10 0.00 0.00 66.02 64.59 1upi s SER 54 CO 0.00 -1.36 1.45 0.00 0.98 0.00 0.00 173.24 174.31 1upi n ALA 55 N -2.76 1.30 -0.81 5.32 0.00 -1.10 -2.33 120.51 120.12 1upi n ALA 55 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1upi n ALA 55 Cb 0.59 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1upi n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1upi n GLY 56 N 2.29 0.96 3.73 0.00 0.00 0.20 -4.89 105.19 107.47 1upi n GLY 56 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1upi n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1upi s VAL 57 N -3.65 4.06 -0.17 1.61 1.01 -0.99 -0.62 120.40 121.66 1upi s VAL 57 Ca 0.00 1.63 0.01 0.00 0.00 0.00 0.00 61.98 63.62 1upi s VAL 57 Cb 0.00 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1upi s VAL 57 CO 0.00 0.21 -0.18 -0.22 0.00 0.00 0.00 175.10 174.91 1upi s LEU 58 N 0.27 1.99 -0.18 3.92 0.20 -0.19 -0.64 118.68 124.05 1upi s LEU 58 Ca 0.53 -0.60 -0.03 0.00 0.69 0.00 0.00 54.13 54.72 1upi s LEU 58 Cb -0.28 -1.39 -0.02 0.00 -0.43 0.00 0.00 46.19 44.08 1upi s LEU 58 CO 0.32 -0.02 -0.06 -0.13 -0.29 0.00 0.00 176.35 176.17 1upi s ARG 59 N 1.35 3.47 0.00 1.98 0.52 -0.08 -4.49 118.95 121.70 1upi s ARG 59 Ca 0.05 -0.61 0.00 0.00 -0.52 0.00 0.00 55.73 54.65 1upi s ARG 59 Cb -0.13 -2.88 0.00 0.00 0.52 0.00 0.00 34.95 32.46 1upi s ARG 59 CO -0.12 0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.66 1upi n GLY 60 N 4.07 1.18 3.57 -3.53 0.00 -1.26 -0.95 105.19 108.27 1upi n GLY 60 Ca -0.18 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 1upi n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upi s LEU 61 N 0.00 3.82 0.08 0.99 1.43 -0.67 -4.28 118.68 120.04 1upi s LEU 61 Ca 0.00 -0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 1upi s LEU 61 Cb 0.00 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1upi s LEU 61 CO 0.00 0.03 0.04 -1.00 0.23 0.00 0.00 176.35 175.65 1upi s HIS 62 N 1.24 3.09 0.19 0.29 3.76 0.07 -0.19 115.29 123.74 1upi s HIS 62 Ca 0.06 0.03 -0.10 0.00 -0.15 0.00 0.00 55.06 54.90 1upi s HIS 62 Cb -0.14 -1.58 -0.01 0.00 1.11 0.00 0.00 32.58 31.95 1upi s HIS 62 CO 0.05 0.50 0.33 -0.59 -0.85 0.00 0.00 174.74 174.18 1upi s PHE 63 N -1.34 0.45 -0.02 1.40 -0.71 -0.76 -1.24 117.98 115.75 1upi s PHE 63 Ca 0.27 -0.80 0.05 0.00 -1.04 0.00 0.00 56.93 55.42 1upi s PHE 63 Cb -0.12 -0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.66 1upi s PHE 63 CO 0.20 -0.80 -0.18 0.00 -1.34 0.00 0.00 175.22 173.11 1upi s ALA 64 N -4.00 1.49 0.49 1.99 0.00 -1.26 -1.14 121.76 119.33 1upi s ALA 64 Ca 0.21 -0.74 -0.24 0.00 0.00 0.00 0.00 51.96 51.19 1upi s ALA 64 Cb 0.02 -0.42 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 1upi s ALA 64 CO 0.04 0.33 1.37 1.04 0.00 0.00 0.00 175.76 178.54 1upi n GLN 65 N 2.83 1.96 -3.19 0.00 6.02 -0.41 -4.42 117.38 120.17 1upi n GLN 65 Ca -0.16 0.71 -0.36 0.00 -0.01 0.00 0.00 57.00 57.17 1upi n GLN 65 Cb 0.53 -2.57 -0.06 0.00 1.02 0.00 0.00 30.24 29.17 1upi n GLN 65 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1upi s LEU 66 N -2.84 4.39 0.46 1.08 2.96 -1.26 -1.16 118.68 122.30 1upi s LEU 66 Ca 0.66 1.31 0.03 0.00 -0.22 0.00 0.00 54.13 55.90 1upi s LEU 66 Cb -0.44 -3.37 0.01 0.00 0.50 0.00 0.00 46.19 42.89 1upi s LEU 66 CO 0.54 0.10 0.66 -2.16 -1.32 0.00 0.00 176.35 174.17 1upi s PRO 67 N -1.78 2.87 0.00 0.98 0.04 -1.26 -4.84 135.00 131.01 1upi s PRO 67 Ca 0.39 -0.77 0.16 0.00 0.04 0.00 0.00 61.00 60.81 1upi s PRO 67 Cb -0.17 -2.61 0.50 0.00 0.04 0.00 0.00 34.50 32.26 1upi s PRO 67 CO 0.20 -0.36 1.39 -0.35 0.04 0.00 0.00 177.00 177.93 1upi n PRO 68 N -2.06 1.83 0.00 0.56 -0.04 -1.26 -5.09 135.00 128.94 1upi n PRO 68 Ca 0.04 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1upi n PRO 68 Cb 0.59 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1upi n PRO 68 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1upi n SER 69 N 0.51 -0.29 -3.19 3.54 2.88 -0.31 -4.74 113.62 112.02 1upi n SER 69 Ca 0.14 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.69 1upi n SER 69 Cb 0.33 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.77 1upi n SER 69 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1upi s GLN 70 N 0.00 0.59 0.43 -1.46 0.74 -1.26 -4.56 119.66 114.14 1upi s GLN 70 Ca 0.00 0.30 -0.23 0.00 0.05 0.00 0.00 55.36 55.47 1upi s GLN 70 Cb 0.00 0.12 -0.08 0.00 1.10 0.00 0.00 33.01 34.14 1upi s GLN 70 CO 0.00 -1.08 1.10 0.00 -0.55 0.00 0.00 175.29 174.76 1upi s ALA 71 N 2.56 3.02 -0.03 1.58 0.00 -1.26 -4.74 121.76 122.89 1upi s ALA 71 Ca 0.11 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.90 1upi s ALA 71 Cb -0.09 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1upi s ALA 71 CO -0.22 -0.41 -0.11 0.15 0.00 0.00 0.00 175.76 175.16 1upi s LYS 72 N -2.65 1.13 -0.28 0.00 1.02 -0.37 -1.46 119.74 117.14 1upi s LYS 72 Ca 0.61 -0.38 0.03 0.00 0.02 0.00 0.00 55.97 56.25 1upi s LYS 72 Cb -0.24 -1.04 0.07 0.00 -0.52 0.00 0.00 37.83 36.10 1upi s LYS 72 CO 0.30 0.15 -0.05 -0.47 -0.92 0.00 0.00 175.35 174.37 1upi s TYR 73 N 0.11 3.12 -0.10 3.18 5.04 -0.14 -0.65 117.35 127.90 1upi s TYR 73 Ca -0.02 -2.33 0.04 0.00 -2.44 0.00 0.00 57.07 52.31 1upi s TYR 73 Cb -0.09 -2.08 -0.00 0.00 0.35 0.00 0.00 41.96 40.14 1upi s TYR 73 CO 0.01 -0.87 -0.23 0.08 -1.34 0.00 0.00 175.55 173.19 1upi s VAL 74 N 1.14 2.15 0.05 3.14 1.01 0.67 -1.53 120.40 127.04 1upi s VAL 74 Ca -0.03 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1upi s VAL 74 Cb -0.19 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1upi s VAL 74 CO -0.07 0.56 0.01 0.28 0.00 0.00 0.00 175.10 175.88 1upi s THR 75 N 0.27 0.20 -0.20 3.92 -1.32 -0.22 -1.23 115.64 117.06 1upi s THR 75 Ca -0.16 -1.63 -0.05 0.00 -1.21 0.00 0.00 61.69 58.64 1upi s THR 75 Cb -0.17 -1.41 -0.02 0.00 -1.51 0.00 0.00 72.50 69.38 1upi s THR 75 CO 0.08 -0.90 -0.01 0.00 -2.21 0.00 0.00 174.62 171.58 1upi n VAL 77 N 4.19 0.00 -3.65 0.00 0.24 0.19 -3.99 118.33 115.32 1upi n VAL 77 Ca -0.17 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.34 61.67 1upi n VAL 77 Cb 0.52 1.10 -0.08 0.00 -1.47 0.00 0.00 33.84 33.91 1upi n VAL 77 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1upi s SER 78 N -1.79 -0.64 0.18 -1.34 1.04 -1.23 -4.78 113.70 105.13 1upi s SER 78 Ca 0.09 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.67 1upi s SER 78 Cb 0.10 1.15 0.00 0.00 0.10 0.00 0.00 66.02 67.37 1upi s SER 78 CO 0.38 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1upi n GLY 79 N 2.44 -0.24 3.45 7.32 0.00 -1.25 -1.47 105.19 115.43 1upi n GLY 79 Ca -0.15 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 1upi n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1upi s SER 80 N -4.00 -0.54 0.02 1.61 1.04 -1.26 -2.27 113.70 108.30 1upi s SER 80 Ca 0.00 0.78 0.01 0.00 0.48 0.00 0.00 55.95 57.22 1upi s SER 80 Cb 0.00 0.77 -0.02 0.00 0.10 0.00 0.00 66.02 66.87 1upi s SER 80 CO 0.00 -0.40 -0.04 0.68 0.98 0.00 0.00 173.24 174.45 1upi s VAL 81 N -0.59 0.24 -0.42 5.02 -7.23 -0.20 -1.15 120.40 116.07 1upi s VAL 81 Ca -0.07 -0.75 -0.16 0.00 -1.81 0.00 0.00 61.98 59.18 1upi s VAL 81 Cb -0.03 -0.33 0.02 0.00 0.56 0.00 0.00 36.38 36.61 1upi s VAL 81 CO 0.05 -0.33 0.39 0.12 -0.31 0.00 0.00 175.10 175.01 1upi s PHE 82 N -1.09 3.20 -0.17 2.82 2.19 0.12 -1.34 117.98 123.71 1upi s PHE 82 Ca -0.10 -0.49 -0.08 0.00 0.33 0.00 0.00 56.93 56.59 1upi s PHE 82 Cb -0.08 -2.80 -0.04 0.00 -1.31 0.00 0.00 43.02 38.78 1upi s PHE 82 CO -0.00 -0.67 0.11 0.34 1.83 0.00 0.00 175.22 176.82 1upi s ASP 83 N 1.82 6.07 -0.07 6.13 -1.08 -0.15 -1.01 116.67 128.38 1upi s ASP 83 Ca 0.09 0.25 0.05 0.00 -0.52 0.00 0.00 52.55 52.42 1upi s ASP 83 Cb -0.18 -2.02 -0.01 0.00 -1.46 0.00 0.00 42.92 39.24 1upi s ASP 83 CO 0.12 0.25 -0.23 -0.69 0.52 0.00 0.00 175.17 175.14 1upi s VAL 84 N -0.06 2.24 -0.07 1.11 1.01 0.66 -0.72 120.40 124.57 1upi s VAL 84 Ca 0.09 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1upi s VAL 84 Cb -0.12 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1upi s VAL 84 CO 0.00 0.57 -0.17 0.54 0.00 0.00 0.00 175.10 176.04 1upi s VAL 85 N -0.15 2.75 -0.11 2.92 0.11 -0.44 -1.31 120.40 124.16 1upi s VAL 85 Ca -0.03 -0.82 0.03 0.00 -2.93 0.00 0.00 61.98 58.23 1upi s VAL 85 Cb -0.14 -2.08 -0.00 0.00 -1.53 0.00 0.00 36.38 32.63 1upi s VAL 85 CO 0.04 0.57 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.47 1upi s VAL 86 N -0.28 2.26 -0.69 2.04 1.01 0.44 -1.62 120.40 123.56 1upi s VAL 86 Ca 0.01 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 60.78 1upi s VAL 86 Cb -0.13 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1upi s VAL 86 CO 0.03 0.55 1.36 -0.62 0.00 0.00 0.00 175.10 176.42 1upi s ASP 87 N 0.42 6.07 -0.15 3.32 -1.08 0.79 -2.10 116.67 123.95 1upi s ASP 87 Ca -0.16 -0.21 0.16 0.00 -0.52 0.00 0.00 52.55 51.82 1upi s ASP 87 Cb -0.17 -2.55 0.59 0.00 -1.46 0.00 0.00 42.92 39.33 1upi s ASP 87 CO 0.07 -1.86 1.50 2.30 0.52 0.00 0.00 175.17 177.70 1upi n ILE 88 N 6.57 2.09 -2.98 4.11 -5.35 -1.26 -0.37 119.36 122.16 1upi n ILE 88 Ca 0.07 -1.52 -0.43 0.00 -0.27 0.00 0.00 62.75 60.60 1upi n ILE 88 Cb 0.49 -0.06 -0.05 0.00 -1.74 0.00 0.00 39.64 38.28 1upi n ILE 88 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1upi s ARG 89 N -2.33 3.22 0.31 6.28 0.52 -1.26 -4.03 118.95 121.65 1upi s ARG 89 Ca 0.43 -0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 54.77 1upi s ARG 89 Cb 0.32 -4.08 -0.12 0.00 0.52 0.00 0.00 34.95 31.59 1upi s ARG 89 CO 0.14 -1.38 1.51 0.39 0.02 0.00 0.00 175.30 175.98 1upi n GLU 90 N 6.88 2.52 0.00 3.54 1.02 0.43 -1.32 120.64 133.71 1upi n GLU 90 Ca -0.02 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 1upi n GLU 90 Cb 0.46 -2.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 1upi n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1upi n GLY 91 N 1.68 2.41 3.77 0.62 0.00 -1.26 -1.29 105.19 111.12 1upi n GLY 91 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1upi n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1upi s SER 92 N -2.43 6.43 0.57 1.61 0.15 -0.43 -4.89 113.70 114.70 1upi s SER 92 Ca 0.00 2.78 0.28 0.00 0.70 0.00 0.00 55.95 59.71 1upi s SER 92 Cb 0.00 -2.65 1.48 0.00 -1.71 0.00 0.00 66.02 63.14 1upi s SER 92 CO 0.00 -0.78 1.95 -0.65 1.20 0.00 0.00 173.24 174.95 1upi h PRO 93 N 2.95 0.00 -0.21 5.44 0.11 -1.97 -1.91 132.00 136.41 1upi h PRO 93 Ca -0.50 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1upi h PRO 93 Cb 1.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 1upi h PRO 93 CO 0.64 0.00 -0.08 0.25 -0.21 0.00 0.00 178.00 178.60 1upi n THR 94 N -3.97 2.30 -1.63 -1.15 -2.24 -1.26 -5.03 114.28 101.30 1upi n THR 94 Ca 0.09 -2.40 -0.55 0.00 -2.27 0.00 0.00 64.05 58.92 1upi n THR 94 Cb 0.65 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.54 1upi n THR 94 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1upi n PHE 95 N -0.98 1.61 -0.02 4.78 7.35 -0.72 -0.94 117.46 128.55 1upi n PHE 95 Ca 0.24 0.66 0.00 0.00 -0.76 0.00 0.00 57.45 57.60 1upi n PHE 95 Cb 0.87 -2.35 0.00 0.00 0.35 0.00 0.00 39.48 38.36 1upi n PHE 95 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1upi n GLY 96 N 3.01 0.69 3.91 7.13 0.00 0.50 -5.04 105.19 115.39 1upi n GLY 96 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1upi n GLY 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1upi s ARG 97 N -0.77 3.56 0.16 1.61 0.52 -0.11 -4.78 118.95 119.13 1upi s ARG 97 Ca 0.00 0.09 -0.00 0.00 -0.52 0.00 0.00 55.73 55.30 1upi s ARG 97 Cb 0.00 -2.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 1upi s ARG 97 CO 0.00 -0.08 0.07 1.67 0.02 0.00 0.00 175.30 176.97 1upi s TRP 98 N -2.57 1.03 0.28 -0.53 1.48 -1.26 -0.15 118.94 117.22 1upi s TRP 98 Ca 0.46 -1.23 -0.12 0.00 -1.06 0.00 0.00 56.10 54.14 1upi s TRP 98 Cb -0.10 -0.56 0.01 0.00 -1.16 0.00 0.00 33.47 31.65 1upi s TRP 98 CO 0.41 -0.49 0.54 0.34 -4.06 0.00 0.00 176.95 173.69 1upi s ASP 99 N -3.11 0.08 0.05 -2.66 -1.08 -0.64 -4.80 116.67 104.51 1upi s ASP 99 Ca 0.28 -1.02 -0.01 0.00 -0.52 0.00 0.00 52.55 51.28 1upi s ASP 99 Cb 0.07 0.65 -0.04 0.00 -1.46 0.00 0.00 42.92 42.14 1upi s ASP 99 CO 0.05 -1.25 -0.03 -0.94 0.52 0.00 0.00 175.17 173.52 1upi s SER 100 N -3.05 0.50 -0.01 -0.34 1.04 -1.26 -1.33 113.70 109.26 1upi s SER 100 Ca 0.22 -0.96 0.01 0.00 0.48 0.00 0.00 55.95 55.70 1upi s SER 100 Cb -0.02 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1upi s SER 100 CO 0.11 -0.57 -0.04 -0.69 0.98 0.00 0.00 173.24 173.04 1upi s VAL 101 N -3.70 0.32 -0.44 5.02 1.01 0.10 -5.00 120.40 117.71 1upi s VAL 101 Ca 0.05 -0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.67 1upi s VAL 101 Cb 0.06 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.18 1upi s VAL 101 CO -0.09 0.10 0.75 -0.22 0.00 0.00 0.00 175.10 175.64 1upi s LEU 102 N 0.08 4.31 -0.18 3.92 2.96 -1.26 -0.98 118.68 127.54 1upi s LEU 102 Ca -0.00 -0.13 -0.13 0.00 -0.22 0.00 0.00 54.13 53.64 1upi s LEU 102 Cb -0.04 -2.90 -0.05 0.00 0.50 0.00 0.00 46.19 43.70 1upi s LEU 102 CO -0.00 -0.86 0.24 -0.76 -1.32 0.00 0.00 176.35 173.64 1upi s LEU 103 N 3.15 4.23 0.35 -0.68 1.43 -0.45 -4.68 118.68 122.02 1upi s LEU 103 Ca 0.28 0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 53.62 1upi s LEU 103 Cb -0.13 -2.29 0.06 0.00 0.03 0.00 0.00 46.19 43.86 1upi s LEU 103 CO 0.21 0.12 0.82 1.51 0.23 0.00 0.00 176.35 179.24 1upi s ASP 104 N 0.47 -0.02 -0.02 2.29 1.47 -1.26 -1.03 116.67 118.57 1upi s ASP 104 Ca 0.14 -1.03 0.09 0.00 1.18 0.00 0.00 52.55 52.93 1upi s ASP 104 Cb -0.12 0.79 0.30 0.00 -0.34 0.00 0.00 42.92 43.54 1upi s ASP 104 CO 0.02 -1.56 1.21 -0.90 0.68 0.00 0.00 175.17 174.62 1upi n ASP 105 N -1.30 1.94 -0.04 2.11 5.68 -0.96 -1.74 116.55 122.24 1upi n ASP 105 Ca -0.07 -2.06 -0.03 0.00 -0.50 0.00 0.00 54.79 52.12 1upi n ASP 105 Cb 0.60 -0.27 -0.01 0.00 -1.14 0.00 0.00 41.12 40.29 1upi n ASP 105 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1upi n GLN 106 N 0.43 0.22 0.07 0.11 7.27 -1.26 -4.70 117.38 119.51 1upi n GLN 106 Ca 0.11 0.19 0.12 0.00 0.07 0.00 0.00 57.00 57.49 1upi n GLN 106 Cb 0.33 -1.00 0.12 0.00 2.41 0.00 0.00 30.24 32.10 1upi n GLN 106 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1upi h ASP 107 N -0.44 0.00 -5.92 1.69 3.32 -1.96 -3.48 116.42 109.63 1upi h ASP 107 Ca 0.00 -0.18 -0.40 0.00 0.02 0.00 0.00 57.03 56.47 1upi h ASP 107 Cb 0.36 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.02 1upi h ASP 107 CO 0.00 0.09 -0.73 0.54 -1.72 0.00 0.00 179.24 177.42 1upi n ARG 108 N -2.24 -6.83 -1.50 3.56 1.74 -0.71 -4.54 116.66 106.13 1upi n ARG 108 Ca 0.02 0.76 -0.30 0.00 -0.77 0.00 0.00 57.85 57.57 1upi n ARG 108 Cb 0.47 -5.72 0.11 0.00 -1.02 0.00 0.00 32.46 26.29 1upi n ARG 108 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1upi s ARG 109 N -6.12 1.71 0.10 5.56 0.52 -1.26 -4.38 118.95 115.09 1upi s ARG 109 Ca 0.40 0.56 0.07 0.00 -0.52 0.00 0.00 55.73 56.24 1upi s ARG 109 Cb -0.18 -1.88 -0.03 0.00 0.52 0.00 0.00 34.95 33.37 1upi s ARG 109 CO 0.76 -1.86 -0.18 0.99 0.02 0.00 0.00 175.30 175.03 1upi s THR 110 N -3.16 1.49 -0.17 0.02 2.01 0.59 -4.27 115.64 112.15 1upi s THR 110 Ca 0.62 -1.53 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 1upi s THR 110 Cb -0.15 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 1upi s THR 110 CO 0.54 -0.18 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.71 1upi s ILE 111 N -1.42 3.42 -0.25 1.82 2.07 -0.37 0.21 121.20 126.68 1upi s ILE 111 Ca 0.05 -0.51 -0.11 0.00 -1.41 0.00 0.00 60.65 58.67 1upi s ILE 111 Cb -0.09 -2.49 -0.05 0.00 0.13 0.00 0.00 42.46 39.96 1upi s ILE 111 CO 0.04 0.48 0.18 -0.47 -1.91 0.00 0.00 174.94 173.26 1upi s TYR 112 N 0.73 3.28 -0.30 3.50 5.04 0.15 -0.24 117.35 129.51 1upi s TYR 112 Ca -0.03 0.21 -0.04 0.00 -2.44 0.00 0.00 57.07 54.77 1upi s TYR 112 Cb -0.15 -2.32 0.04 0.00 0.35 0.00 0.00 41.96 39.88 1upi s TYR 112 CO 0.02 -0.02 0.03 0.08 -1.34 0.00 0.00 175.55 174.32 1upi s VAL 113 N 1.32 3.30 0.92 3.14 1.01 0.17 -0.92 120.40 129.34 1upi s VAL 113 Ca 0.08 -1.17 -0.14 0.00 0.00 0.00 0.00 61.98 60.75 1upi s VAL 113 Cb -0.14 -2.82 0.21 0.00 0.00 0.00 0.00 36.38 33.62 1upi s VAL 113 CO 0.07 -0.05 1.25 -1.54 0.00 0.00 0.00 175.10 174.83 1upi n SER 114 N 4.71 0.26 -4.76 3.32 3.41 -0.81 -1.24 113.62 118.50 1upi n SER 114 Ca -0.14 -1.55 -0.41 0.00 -0.26 0.00 0.00 58.87 56.51 1upi n SER 114 Cb 0.45 -0.94 -0.01 0.00 -0.26 0.00 0.00 64.21 63.45 1upi n SER 114 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1upi s GLU 115 N -5.72 4.17 0.00 4.33 8.01 -1.26 -3.16 118.70 125.07 1upi s GLU 115 Ca 0.72 2.49 0.00 0.00 0.01 0.00 0.00 54.97 58.19 1upi s GLU 115 Cb -0.02 -3.02 0.00 0.00 -4.31 0.00 0.00 34.13 26.78 1upi s GLU 115 CO 0.50 -0.50 0.00 0.41 0.01 0.00 0.00 175.26 175.68 1upi n GLY 116 N 1.31 0.49 3.88 -1.39 0.00 -1.26 -4.97 105.19 103.25 1upi n GLY 116 Ca 0.04 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 1upi n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1upi s LEU 117 N 0.00 3.97 0.04 0.99 1.43 -1.19 -4.29 118.68 119.63 1upi s LEU 117 Ca 0.00 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1upi s LEU 117 Cb 0.00 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1upi s LEU 117 CO 0.00 -0.10 -0.01 0.00 0.23 0.00 0.00 176.35 176.47 1upi s ALA 118 N -2.10 3.26 0.01 4.21 0.00 -0.89 -4.48 121.76 121.76 1upi s ALA 118 Ca 0.35 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 1upi s ALA 118 Cb -0.08 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 1upi s ALA 118 CO 0.27 0.67 0.02 -1.58 0.00 0.00 0.00 175.76 175.13 1upi s HIS 119 N -1.17 0.15 0.21 0.00 5.04 -0.37 -0.42 115.29 118.73 1upi s HIS 119 Ca 0.22 -0.31 -0.22 0.00 -1.54 0.00 0.00 55.06 53.21 1upi s HIS 119 Cb -0.12 -0.12 0.07 0.00 0.04 0.00 0.00 32.58 32.46 1upi s HIS 119 CO 0.13 -0.17 0.97 0.20 -2.34 0.00 0.00 174.74 173.54 1upi s GLY 120 N -1.11 0.06 0.14 1.59 0.00 -0.43 -0.75 107.32 106.82 1upi s GLY 120 Ca -0.12 -0.29 -0.16 0.00 0.00 0.00 0.00 44.72 44.16 1upi s GLY 120 CO -0.00 1.31 0.40 -0.11 0.00 0.00 0.00 173.10 174.70 1upi s PHE 121 N -2.51 -0.14 -0.16 1.90 -0.12 -0.13 -0.25 117.98 116.58 1upi s PHE 121 Ca 0.18 -0.19 0.01 0.00 -0.05 0.00 0.00 56.93 56.88 1upi s PHE 121 Cb -0.03 0.25 0.02 0.00 -0.63 0.00 0.00 43.02 42.63 1upi s PHE 121 CO 0.06 -0.73 -0.17 -1.17 -0.05 0.00 0.00 175.22 173.15 1upi s LEU 122 N -2.83 1.91 0.04 -1.99 2.96 -0.18 -0.90 118.68 117.70 1upi s LEU 122 Ca 0.05 -0.56 -0.30 0.00 -0.22 0.00 0.00 54.13 53.09 1upi s LEU 122 Cb 0.02 -1.32 -0.05 0.00 0.50 0.00 0.00 46.19 45.33 1upi s LEU 122 CO -0.10 -0.01 1.20 0.00 -1.32 0.00 0.00 176.35 176.12 1upi s ALA 123 N 1.30 3.41 -0.24 5.97 0.00 0.18 -0.70 121.76 131.69 1upi s ALA 123 Ca 0.03 0.81 0.22 0.00 0.00 0.00 0.00 51.96 53.02 1upi s ALA 123 Cb -0.13 -3.46 -0.21 0.00 0.00 0.00 0.00 23.12 19.31 1upi s ALA 123 CO -0.10 -0.51 0.70 1.28 0.00 0.00 0.00 175.76 177.13 1upi n LEU 124 N 4.21 0.33 -4.27 0.00 4.77 -0.30 0.58 117.00 122.31 1upi n LEU 124 Ca 0.09 0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.94 1upi n LEU 124 Cb 0.46 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 1upi n LEU 124 CO 0.56 -0.01 -0.32 -1.10 -1.33 0.00 0.00 177.39 175.18 1upi s GLN 125 N -3.40 1.20 0.59 3.23 -0.21 -1.21 -4.77 119.66 115.09 1upi s GLN 125 Ca -0.04 -1.59 -0.15 0.00 0.02 0.00 0.00 55.36 53.61 1upi s GLN 125 Cb 0.13 -0.36 -0.04 0.00 1.00 0.00 0.00 33.01 33.74 1upi s GLN 125 CO 0.87 -0.13 1.03 -0.51 -2.12 0.00 0.00 175.29 174.43 1upi s ASP 126 N -3.22 6.03 -1.34 5.90 1.01 -1.26 -2.72 116.67 121.06 1upi s ASP 126 Ca 0.26 1.67 -0.03 0.00 0.71 0.00 0.00 52.55 55.16 1upi s ASP 126 Cb 0.06 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.49 1upi s ASP 126 CO 0.06 -1.00 0.79 -3.20 0.21 0.00 0.00 175.17 172.04 1upi n ASN 127 N -2.13 -2.09 -4.54 0.27 5.15 -0.87 -4.71 115.26 106.34 1upi n ASN 127 Ca 0.08 -0.79 -0.42 0.00 -0.60 0.00 0.00 54.58 52.85 1upi n ASN 127 Cb 0.53 -4.15 -0.07 0.00 -0.53 0.00 0.00 39.78 35.57 1upi n ASN 127 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1upi s SER 128 N -4.13 6.33 -0.21 1.20 0.01 -0.39 -3.90 113.70 112.61 1upi s SER 128 Ca 0.15 -0.17 -0.09 0.00 1.31 0.00 0.00 55.95 57.15 1upi s SER 128 Cb -0.07 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 1upi s SER 128 CO 0.81 -0.61 0.10 -0.89 0.41 0.00 0.00 173.24 173.05 1upi s THR 129 N 2.57 4.98 -0.11 1.44 2.01 -0.54 -0.72 115.64 125.26 1upi s THR 129 Ca 0.20 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.27 1upi s THR 129 Cb -0.15 -3.28 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 1upi s THR 129 CO 0.16 0.41 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.60 1upi s VAL 130 N 0.71 2.30 0.05 3.82 1.01 0.09 -0.63 120.40 127.74 1upi s VAL 130 Ca 0.05 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.17 1upi s VAL 130 Cb -0.13 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1upi s VAL 130 CO 0.02 0.55 -0.15 -0.32 0.00 0.00 0.00 175.10 175.20 1upi s MET 131 N 0.42 2.16 -0.13 2.72 1.75 0.08 -0.90 119.30 125.39 1upi s MET 131 Ca -0.15 -0.95 -0.07 0.00 -1.25 0.00 0.00 55.69 53.27 1upi s MET 131 Cb -0.17 -2.26 0.05 0.00 2.84 0.00 0.00 34.83 35.29 1upi s MET 131 CO 0.07 0.54 0.31 1.52 -0.65 0.00 0.00 175.02 176.81 1upi s TYR 132 N -0.98 -0.45 0.74 4.11 -0.00 -0.47 -1.05 117.35 119.25 1upi s TYR 132 Ca 0.16 1.00 -0.08 0.00 -0.00 0.00 0.00 57.07 58.15 1upi s TYR 132 Cb -0.11 0.13 0.16 0.00 -0.00 0.00 0.00 41.96 42.14 1upi s TYR 132 CO 0.07 -0.29 1.01 1.28 -0.00 0.00 0.00 175.55 177.62 1upi n LEU 133 N 4.33 0.00 0.00 -3.49 4.77 -0.58 -1.42 117.00 120.62 1upi n LEU 133 Ca -0.23 -1.50 0.00 0.00 -0.03 0.00 0.00 56.01 54.24 1upi n LEU 133 Cb 0.53 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1upi n LEU 133 CO 0.11 -1.13 0.09 -1.54 -1.33 0.00 0.00 177.39 173.59 1upi n SER 135 N -3.36 0.36 -3.87 -1.43 3.41 -0.53 -0.97 113.62 107.22 1upi n SER 135 Ca 0.14 -0.67 -0.11 0.00 -0.26 0.00 0.00 58.87 57.97 1upi n SER 135 Cb 0.50 0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 64.77 1upi n SER 135 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1upi s ALA 136 N -0.41 -0.33 0.68 7.33 0.00 -1.26 -4.47 121.76 123.29 1upi s ALA 136 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 51.96 51.66 1upi s ALA 136 Cb 0.00 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.27 1upi s ALA 136 CO 0.00 -0.23 1.13 -1.21 0.00 0.00 0.00 175.76 175.45 1upi s GLU 137 N -1.59 2.60 -0.18 0.00 2.02 -1.26 -4.52 118.70 115.77 1upi s GLU 137 Ca -0.13 1.46 -0.40 0.00 0.02 0.00 0.00 54.97 55.92 1upi s GLU 137 Cb -0.06 -1.92 -0.17 0.00 0.10 0.00 0.00 34.13 32.08 1upi s GLU 137 CO 0.01 -1.42 1.56 0.98 0.02 0.00 0.00 175.26 176.41 1upi n TYR 138 N -2.56 1.74 -3.44 1.61 9.36 -1.26 -4.95 117.16 117.67 1upi n TYR 138 Ca 0.11 0.69 -0.28 0.00 3.32 0.00 0.00 57.90 61.74 1upi n TYR 138 Cb 0.52 -2.36 -0.11 0.00 -0.63 0.00 0.00 39.34 36.75 1upi n TYR 138 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1upi s ASN 139 N 2.31 2.41 0.60 2.98 2.47 -1.26 -4.99 114.94 119.46 1upi s ASN 139 Ca 0.95 -2.52 0.30 0.00 0.42 0.00 0.00 52.86 52.02 1upi s ASN 139 Cb -1.11 -0.42 1.78 0.00 -1.45 0.00 0.00 41.25 40.04 1upi s ASN 139 CO 0.62 -0.26 2.17 1.55 -3.72 0.00 0.00 177.10 177.46 1upi h PRO 140 N 6.51 0.00 0.00 0.43 0.13 -1.92 -0.70 132.00 136.45 1upi h PRO 140 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1upi h PRO 140 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1upi h PRO 140 CO 0.31 0.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.02 1upi n GLN 141 N -3.73 0.18 0.00 0.86 7.27 -1.26 -3.17 117.38 117.53 1upi n GLN 141 Ca -0.01 0.34 0.00 0.00 0.07 0.00 0.00 57.00 57.40 1upi n GLN 141 Cb 0.22 -1.80 0.00 0.00 2.41 0.00 0.00 30.24 31.07 1upi n GLN 141 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1upi n ARG 142 N -2.13 1.79 -4.07 3.69 1.74 -0.32 -5.04 116.66 112.31 1upi n ARG 142 Ca 0.03 -1.14 -0.36 0.00 -0.77 0.00 0.00 57.85 55.62 1upi n ARG 142 Cb 0.27 -0.91 -0.08 0.00 -1.02 0.00 0.00 32.46 30.72 1upi n ARG 142 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1upi s GLU 143 N -0.65 3.34 0.12 5.56 2.02 -0.86 -1.29 118.70 126.93 1upi s GLU 143 Ca 0.00 -0.26 0.04 0.00 0.02 0.00 0.00 54.97 54.77 1upi s GLU 143 Cb 0.00 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 1upi s GLU 143 CO 0.00 0.69 -0.10 -1.01 0.02 0.00 0.00 175.26 174.86 1upi s HIS 144 N -0.80 1.14 0.06 1.61 3.76 -0.29 -4.92 115.29 115.84 1upi s HIS 144 Ca 0.13 -0.75 0.08 0.00 -0.15 0.00 0.00 55.06 54.37 1upi s HIS 144 Cb -0.12 -0.60 -0.03 0.00 1.11 0.00 0.00 32.58 32.94 1upi s HIS 144 CO 0.03 0.02 -0.21 0.99 -0.85 0.00 0.00 174.74 174.71 1upi s THR 145 N -3.08 1.74 0.00 1.30 2.01 -1.26 -1.83 115.64 114.51 1upi s THR 145 Ca 0.12 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 60.79 1upi s THR 145 Cb 0.01 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 70.99 1upi s THR 145 CO -0.01 0.14 0.00 -0.38 -0.69 0.00 0.00 174.62 173.68 1upi n ILE 146 N 1.60 0.00 0.00 1.82 5.41 0.74 -4.24 119.36 124.68 1upi n ILE 146 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 1upi n ILE 146 Cb 0.53 -0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.46 1upi n ILE 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1upi n ALA 148 N -3.00 1.91 -1.21 -1.39 0.00 -1.26 -1.68 120.51 113.88 1upi n ALA 148 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1upi n ALA 148 Cb 0.00 0.19 0.21 0.00 0.00 0.00 0.00 19.45 19.86 1upi n ALA 148 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1upi n THR 149 N -1.80 3.06 -1.69 0.00 -2.24 -1.26 -4.67 114.28 105.69 1upi n THR 149 Ca 0.00 -1.95 -0.45 0.00 -2.27 0.00 0.00 64.05 59.38 1upi n THR 149 Cb 0.39 -0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 68.16 1upi n THR 149 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1upi n ASP 150 N -0.91 3.38 0.20 3.42 2.03 -1.26 -4.86 116.55 118.55 1upi n ASP 150 Ca 0.52 1.08 0.07 0.00 0.52 0.00 0.00 54.79 56.98 1upi n ASP 150 Cb 1.53 -1.48 0.34 0.00 -0.72 0.00 0.00 41.12 40.79 1upi n ASP 150 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1upi h PRO 151 N 6.05 0.00 -0.22 -0.67 0.13 -1.99 0.66 132.00 135.96 1upi h PRO 151 Ca -0.44 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 1upi h PRO 151 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1upi h PRO 151 CO 0.90 0.32 -0.10 1.15 -0.23 0.00 0.00 178.00 180.04 1upi h THR 152 N 0.00 1.30 -0.20 1.56 2.02 -2.01 -3.24 112.91 112.34 1upi h THR 152 Ca -0.00 -1.15 -0.11 0.00 0.77 0.00 0.00 66.41 65.92 1upi h THR 152 Cb 0.91 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1upi h THR 152 CO 0.04 0.35 -0.30 -0.07 0.37 0.00 0.00 175.52 175.91 1upi h LEU 153 N 0.17 0.62 -1.55 2.58 3.38 -1.83 -3.47 115.31 115.20 1upi h LEU 153 Ca 0.05 -0.52 -0.33 0.00 0.09 0.00 0.00 57.88 57.17 1upi h LEU 153 Cb 0.58 -0.18 0.16 0.00 0.09 0.00 0.00 40.66 41.32 1upi h LEU 153 CO 0.03 1.02 -0.74 0.00 0.09 0.00 0.00 178.44 178.83 1upi n ALA 154 N -2.49 -1.89 -1.81 1.53 0.00 0.21 -4.89 120.51 111.17 1upi n ALA 154 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 1upi n ALA 154 Cb 0.47 -2.80 -0.03 0.00 0.00 0.00 0.00 19.45 17.09 1upi n ALA 154 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1upi s VAL 155 N -3.35 3.16 -0.96 0.00 1.01 -1.26 -4.96 120.40 114.03 1upi s VAL 155 Ca 0.08 1.12 -0.18 0.00 0.00 0.00 0.00 61.98 63.00 1upi s VAL 155 Cb -0.03 -3.71 0.14 0.00 0.00 0.00 0.00 36.38 32.77 1upi s VAL 155 CO 0.72 0.25 1.16 -1.81 0.00 0.00 0.00 175.10 175.42 1upi s ASP 156 N -0.51 6.69 0.10 3.32 1.01 -1.26 -4.99 116.67 121.03 1upi s ASP 156 Ca 0.48 -2.18 -0.30 0.00 0.71 0.00 0.00 52.55 51.26 1upi s ASP 156 Cb -0.36 -2.40 -0.06 0.00 1.01 0.00 0.00 42.92 41.12 1upi s ASP 156 CO 0.45 -1.01 1.04 0.26 0.21 0.00 0.00 175.17 176.12 1upi s TRP 157 N 2.50 3.66 -1.23 4.23 0.52 -1.26 -4.98 118.94 122.38 1upi s TRP 157 Ca 0.34 1.64 -0.17 0.00 0.02 0.00 0.00 56.10 57.93 1upi s TRP 157 Cb -0.05 -3.19 0.10 0.00 -1.15 0.00 0.00 33.47 29.18 1upi s TRP 157 CO -0.08 -0.31 1.60 -1.25 0.02 0.00 0.00 176.95 176.93 1upi s PRO 158 N 0.25 3.96 0.31 4.98 0.04 -1.26 -5.01 135.00 138.27 1upi s PRO 158 Ca 0.50 -2.05 -0.27 0.00 0.04 0.00 0.00 61.00 59.23 1upi s PRO 158 Cb -0.26 -5.37 -0.14 0.00 0.04 0.00 0.00 34.50 28.77 1upi s PRO 158 CO 0.31 -2.11 0.87 1.28 0.04 0.00 0.00 177.00 177.39 1upi n LEU 159 N 7.66 1.15 -4.71 -3.56 4.77 -1.26 -4.91 117.00 116.15 1upi n LEU 159 Ca 0.43 1.12 -0.38 0.00 -0.03 0.00 0.00 56.01 57.15 1upi n LEU 159 Cb 0.46 -1.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.27 1upi n LEU 159 CO 0.71 -1.86 0.21 -0.69 -1.33 0.00 0.00 177.39 174.43 1upi s VAL 160 N -1.13 5.16 0.00 4.08 1.01 -1.26 -4.69 120.40 123.57 1upi s VAL 160 Ca 0.60 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1upi s VAL 160 Cb -0.71 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 31.83 1upi s VAL 160 CO 0.59 0.29 0.00 -0.90 0.00 0.00 0.00 175.10 175.08 1upi n ASP 161 N 3.88 0.00 -3.33 3.32 5.75 -1.26 0.71 116.55 125.62 1upi n ASP 161 Ca -0.06 0.00 -0.26 0.00 -0.01 0.00 0.00 54.79 54.46 1upi n ASP 161 Cb 0.51 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.51 1upi n ASP 161 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1upi n GLY 162 N 0.00 2.43 3.63 6.12 0.00 -1.26 -5.13 105.19 110.99 1upi n GLY 162 Ca 0.00 -1.43 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 1upi n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1upi s ALA 163 N -0.42 3.22 0.54 4.61 0.00 0.22 -5.06 121.76 124.87 1upi s ALA 163 Ca 0.34 -2.05 -0.20 0.00 0.00 0.00 0.00 51.96 50.05 1upi s ALA 163 Cb 0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 1upi s ALA 163 CO -0.17 0.01 1.19 0.00 0.00 0.00 0.00 175.76 176.80 1upi s ALA 164 N -2.57 2.71 0.64 0.00 0.00 -1.26 -4.10 121.76 117.18 1upi s ALA 164 Ca 0.35 0.98 -0.17 0.00 0.00 0.00 0.00 51.96 53.12 1upi s ALA 164 Cb 0.02 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1upi s ALA 164 CO 0.19 -0.96 1.18 -1.25 0.00 0.00 0.00 175.76 174.92 1upi s PRO 165 N -3.13 2.75 -0.23 0.00 0.04 -1.26 -4.96 135.00 128.22 1upi s PRO 165 Ca 0.72 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 63.32 1upi s PRO 165 Cb -0.29 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1upi s PRO 165 CO 0.33 -1.35 0.27 -1.12 0.04 0.00 0.00 177.00 175.17 1upi s SER 166 N -1.96 6.25 0.17 6.66 0.01 0.21 -4.94 113.70 120.10 1upi s SER 166 Ca 0.74 0.28 0.10 0.00 1.31 0.00 0.00 55.95 58.38 1upi s SER 166 Cb -0.27 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1upi s SER 166 CO 0.37 -0.01 -0.23 -0.76 0.41 0.00 0.00 173.24 173.03 1upi s LEU 167 N 1.22 2.40 1.01 2.44 1.02 -1.26 -1.02 118.68 124.49 1upi s LEU 167 Ca 0.12 -0.83 -0.13 0.00 0.02 0.00 0.00 54.13 53.32 1upi s LEU 167 Cb -0.14 -1.09 0.13 0.00 0.02 0.00 0.00 46.19 45.11 1upi s LEU 167 CO 0.06 0.10 0.67 -1.54 0.02 0.00 0.00 176.35 175.66 1upi n SER 168 N 0.46 -1.33 -0.34 2.29 3.41 -1.26 -4.75 113.62 112.10 1upi n SER 168 Ca -0.14 0.19 -0.04 0.00 -0.26 0.00 0.00 58.87 58.62 1upi n SER 168 Cb 0.55 -1.26 0.09 0.00 -0.26 0.00 0.00 64.21 63.34 1upi n SER 168 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1upi h ASP 169 N -1.96 1.13 -0.11 4.04 3.32 -2.00 -0.59 116.42 120.25 1upi h ASP 169 Ca -0.48 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.30 1upi h ASP 169 Cb 1.30 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 1upi h ASP 169 CO 0.40 0.90 -0.55 0.03 -1.72 0.00 0.00 179.24 178.30 1upi h ARG 170 N 1.27 0.70 -0.11 3.56 3.08 -1.97 -2.31 114.38 118.60 1upi h ARG 170 Ca 0.32 -0.44 -0.20 0.00 0.07 0.00 0.00 59.98 59.73 1upi h ARG 170 Cb 0.02 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1upi h ARG 170 CO -0.05 1.06 -0.75 -0.44 -1.07 0.00 0.00 179.97 178.72 1upi h ASP 171 N 0.54 0.66 0.64 7.04 3.32 -1.88 -2.66 116.42 124.07 1upi h ASP 171 Ca 0.01 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 1upi h ASP 171 Cb 1.12 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.47 1upi h ASP 171 CO 0.11 1.19 -0.03 0.00 -1.72 0.00 0.00 179.24 178.79 1upi h ALA 172 N 0.79 1.04 -0.34 3.45 0.00 -0.93 -2.95 119.26 120.33 1upi h ALA 172 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1upi h ALA 172 Cb 1.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1upi h ALA 172 CO 0.14 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1upi n ALA 173 N -2.12 2.70 -1.76 0.00 0.00 -0.88 -5.03 120.51 113.41 1upi n ALA 173 Ca -0.01 -1.77 -0.38 0.00 0.00 0.00 0.00 53.44 51.28 1upi n ALA 173 Cb 0.24 -0.64 0.01 0.00 0.00 0.00 0.00 19.45 19.05 1upi n ALA 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1upi s ALA 174 N -2.01 3.03 0.89 0.00 0.00 -1.02 -4.99 121.76 117.67 1upi s ALA 174 Ca 0.36 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 53.35 1upi s ALA 174 Cb 0.25 -3.47 0.12 0.00 0.00 0.00 0.00 23.12 20.03 1upi s ALA 174 CO 0.13 -0.91 1.09 -1.25 0.00 0.00 0.00 175.76 174.82 1upi s PRO 175 N -2.59 1.35 0.63 0.00 0.04 -1.26 -4.96 135.00 128.21 1upi s PRO 175 Ca 0.63 0.77 -0.12 0.00 0.04 0.00 0.00 61.00 62.32 1upi s PRO 175 Cb -0.35 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1upi s PRO 175 CO 0.43 -2.17 1.04 -1.54 0.04 0.00 0.00 177.00 174.81 1upi s SER 176 N -3.51 5.91 0.24 6.66 1.04 -1.26 -4.45 113.70 118.34 1upi s SER 176 Ca 0.63 1.57 -0.05 0.00 0.48 0.00 0.00 55.95 58.58 1upi s SER 176 Cb -0.17 -2.49 0.40 0.00 0.10 0.00 0.00 66.02 63.85 1upi s SER 176 CO 0.56 -1.08 1.79 0.15 0.98 0.00 0.00 173.24 175.64 1upi h PHE 177 N -0.19 0.75 -0.37 5.02 3.57 -1.95 -0.43 116.94 123.34 1upi h PHE 177 Ca -0.45 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 60.96 1upi h PHE 177 Cb 1.20 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1upi h PHE 177 CO 0.63 0.27 -0.25 0.93 -2.23 0.00 0.00 178.31 177.66 1upi h GLU 178 N 0.68 0.76 -0.41 1.11 4.39 -1.99 0.80 114.58 119.92 1upi h GLU 178 Ca 0.39 -0.32 0.04 0.00 0.34 0.00 0.00 59.36 59.82 1upi h GLU 178 Cb 0.42 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1upi h GLU 178 CO -0.28 0.93 0.16 -0.44 -1.16 0.00 0.00 179.01 178.22 1upi h ASP 179 N 0.65 0.20 -0.12 1.42 3.32 -1.67 -0.27 116.42 119.95 1upi h ASP 179 Ca 0.09 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1upi h ASP 179 Cb 0.77 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 1upi h ASP 179 CO 0.06 0.15 0.04 0.58 -1.72 0.00 0.00 179.24 178.35 1upi h VAL 180 N 0.34 1.17 -0.51 -1.35 2.07 -0.83 -1.15 116.25 115.98 1upi h VAL 180 Ca 0.18 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 67.27 1upi h VAL 180 Cb 0.15 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 1upi h VAL 180 CO -0.17 0.15 0.19 -0.09 0.02 0.00 0.00 177.57 177.67 1upi h ARG 181 N 0.01 0.37 0.00 1.57 2.43 -0.65 -1.81 114.38 116.30 1upi h ARG 181 Ca 0.04 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1upi h ARG 181 Cb 0.20 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1upi h ARG 181 CO -0.00 0.24 0.00 0.00 -1.51 0.00 0.00 179.97 178.70 1upi h ALA 182 N 1.33 1.00 -0.01 2.80 0.00 -0.79 -2.41 119.26 121.19 1upi h ALA 182 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1upi h ALA 182 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1upi h ALA 182 CO -0.24 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.44 1upi n SER 183 N -2.75 0.26 -1.43 0.00 7.64 -0.46 -4.90 113.62 111.98 1upi n SER 183 Ca 0.02 -1.20 -0.17 0.00 1.01 0.00 0.00 58.87 58.53 1upi n SER 183 Cb 0.33 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.46 1upi n SER 183 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1upi n GLY 184 N 0.98 1.28 0.11 0.23 0.00 -0.91 -4.89 105.19 101.98 1upi n GLY 184 Ca 0.20 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1upi n GLY 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1upi n LEU 185 N -2.03 0.81 -4.77 0.99 4.77 -1.16 -4.92 117.00 110.69 1upi n LEU 185 Ca -0.18 -0.18 -0.38 0.00 -0.03 0.00 0.00 56.01 55.25 1upi n LEU 185 Cb 0.58 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1upi n LEU 185 CO 0.25 0.17 0.73 -0.76 -1.33 0.00 0.00 177.39 176.46 1upi s LEU 186 N -2.81 4.29 0.70 2.23 1.43 -1.26 -4.85 118.68 118.40 1upi s LEU 186 Ca 0.15 2.05 -0.16 0.00 -1.03 0.00 0.00 54.13 55.15 1upi s LEU 186 Cb 0.18 -4.00 0.02 0.00 0.03 0.00 0.00 46.19 42.42 1upi s LEU 186 CO 0.65 -0.31 1.24 -2.84 0.23 0.00 0.00 176.35 175.32 1upi s PRO 187 N -2.12 2.30 -0.24 1.29 0.02 -1.26 -4.80 135.00 130.18 1upi s PRO 187 Ca 0.53 1.88 -0.10 0.00 0.02 0.00 0.00 61.00 63.32 1upi s PRO 187 Cb -0.24 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 1upi s PRO 187 CO 0.30 -1.74 0.16 1.03 -0.33 0.00 0.00 177.00 176.42 1upi s ARG 188 N -3.69 4.05 0.25 5.54 1.81 -1.26 -0.43 118.95 125.22 1upi s ARG 188 Ca 0.78 -0.28 -0.13 0.00 -1.72 0.00 0.00 55.73 54.38 1upi s ARG 188 Cb -0.32 -3.54 0.35 0.00 -0.45 0.00 0.00 34.95 30.99 1upi s ARG 188 CO 0.43 0.04 1.56 2.35 -0.68 0.00 0.00 175.30 179.00 1upi h TRP 189 N 7.59 -0.77 -0.38 -0.53 2.91 -1.36 0.11 115.95 123.52 1upi h TRP 189 Ca -0.38 0.09 0.05 0.00 1.13 0.00 0.00 58.89 59.79 1upi h TRP 189 Cb 1.17 0.49 -0.05 0.00 -0.51 0.00 0.00 29.16 30.26 1upi h TRP 189 CO 0.68 -0.41 0.09 1.49 -1.03 0.00 0.00 178.44 179.25 1upi h GLU 190 N -0.01 0.21 -0.05 2.65 4.81 -1.92 0.51 114.58 120.78 1upi h GLU 190 Ca 0.41 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.43 1upi h GLU 190 Cb 0.66 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1upi h GLU 190 CO -0.99 0.14 -0.78 0.37 -0.73 0.00 0.00 179.01 177.02 1upi h GLN 191 N 0.22 0.38 -0.45 1.92 -0.00 -1.71 -1.68 115.11 113.79 1upi h GLN 191 Ca 0.18 -0.34 -0.14 0.00 -0.00 0.00 0.00 58.65 58.35 1upi h GLN 191 Cb 0.20 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.74 1upi h GLN 191 CO -0.22 0.99 -0.25 1.79 0.00 0.00 0.00 178.83 181.14 1upi h THR 192 N 0.25 1.27 -0.58 2.39 1.35 -0.36 0.13 112.91 117.36 1upi h THR 192 Ca -0.04 -1.42 -0.03 0.00 -0.55 0.00 0.00 66.41 64.37 1upi h THR 192 Cb 1.38 1.19 -0.03 0.00 -1.73 0.00 0.00 68.15 68.96 1upi h THR 192 CO 0.13 0.48 0.27 1.56 -0.25 0.00 0.00 175.52 177.71 1upi h GLN 193 N 0.81 0.85 -0.45 4.72 1.08 -0.93 -1.38 115.11 119.81 1upi h GLN 193 Ca 0.10 -0.14 -0.11 0.00 -1.45 0.00 0.00 58.65 57.05 1upi h GLN 193 Cb 0.83 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 1upi h GLN 193 CO 0.07 0.71 -0.15 0.00 -0.95 0.00 0.00 178.83 178.51 1upi h ARG 194 N 0.80 0.86 -0.67 1.46 3.08 -1.00 -1.70 114.38 117.21 1upi h ARG 194 Ca 0.20 -0.32 -0.08 0.00 0.07 0.00 0.00 59.98 59.85 1upi h ARG 194 Cb 0.15 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1upi h ARG 194 CO -0.02 0.96 0.12 0.35 -1.07 0.00 0.00 179.97 180.30 1upi h PHE 195 N 0.77 1.17 -0.09 3.04 3.04 -0.49 -1.34 116.94 123.04 1upi h PHE 195 Ca 0.12 -0.16 -0.11 0.00 3.98 0.00 0.00 57.97 61.80 1upi h PHE 195 Cb 0.67 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 1upi h PHE 195 CO 0.04 0.98 -0.45 0.82 -2.02 0.00 0.00 178.31 177.68 1upi h ILE 196 N 1.02 1.32 -0.29 1.41 2.04 -1.17 -2.89 117.51 118.96 1upi h ILE 196 Ca 0.20 -1.60 -0.13 0.00 1.00 0.00 0.00 64.86 64.33 1upi h ILE 196 Cb 0.43 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1upi h ILE 196 CO 0.01 0.47 -0.36 1.23 0.00 0.00 0.00 178.15 179.50 1upi h GLY 197 N 1.28 0.72 2.00 5.37 0.00 -0.93 -2.01 103.07 109.50 1upi h GLY 197 Ca 0.01 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.57 1upi h GLY 197 CO 0.07 0.63 -0.32 1.05 0.00 0.00 0.00 176.54 177.98 1upi h GLU 198 N 0.56 0.00 -0.05 4.80 -0.00 -1.09 -2.63 114.58 116.17 1upi h GLU 198 Ca 0.05 0.00 -0.22 0.00 -0.00 0.00 0.00 59.36 59.20 1upi h GLU 198 Cb 0.88 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.63 1upi h GLU 198 CO 0.08 0.32 -0.86 0.52 -0.00 0.00 0.00 179.01 179.06 1upi h MET 199 N 0.00 0.50 0.00 1.06 2.86 -1.32 -3.44 114.93 114.59 1upi h MET 199 Ca -0.00 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1upi h MET 199 Cb 0.68 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1upi h MET 199 CO 0.04 1.11 0.00 0.54 1.06 0.00 0.00 176.91 179.66 1upi n ARG 200 N -3.82 0.00 0.00 1.72 3.00 -0.77 -4.81 116.66 111.97 1upi n ARG 200 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.78 1upi n ARG 200 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.24 1upi n ARG 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04