#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q4c h LYS 3 N 0.00 -0.46 0.00 -1.46 2.10 -1.91 -3.00 116.57 111.84 1q4c h LYS 3 Ca 0.00 0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.65 1q4c h LYS 3 Cb 0.00 0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1q4c h LYS 3 CO 0.00 -0.31 -0.14 0.78 -2.00 0.00 0.00 179.45 177.78 1q4c h GLY 4 N -0.48 0.00 -0.11 0.07 0.00 -1.65 -3.11 103.07 97.79 1q4c h GLY 4 Ca -0.03 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.49 1q4c h GLY 4 CO -0.00 0.00 0.33 -2.09 0.00 0.00 0.00 176.54 174.78 1q4c h GLU 5 N 0.00 0.38 0.00 4.80 4.81 -1.67 -0.19 114.58 122.71 1q4c h GLU 5 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1q4c h GLU 5 Cb 0.25 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1q4c h GLU 5 CO 0.02 0.25 0.00 1.49 -0.73 0.00 0.00 179.01 180.04 1q4c h GLU 6 N 0.39 0.00 0.00 1.92 4.81 -1.57 -2.65 114.58 117.48 1q4c h GLU 6 Ca 0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 1q4c h GLU 6 Cb 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1q4c h GLU 6 CO -0.50 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.06 1q4c n LEU 7 N -2.50 0.46 -0.51 1.64 4.77 -0.08 -3.63 117.00 117.15 1q4c n LEU 7 Ca 0.01 0.57 0.08 0.00 -0.03 0.00 0.00 56.01 56.63 1q4c n LEU 7 Cb 0.22 -0.45 0.18 0.00 -2.33 0.00 0.00 43.42 41.04 1q4c n LEU 7 CO 0.20 -0.23 0.63 0.49 -1.33 0.00 0.00 177.39 177.16 1q4c n PHE 8 N -1.96 0.49 0.35 -1.77 3.01 -1.00 -4.67 117.46 111.92 1q4c n PHE 8 Ca 0.05 -0.82 0.14 0.00 1.01 0.00 0.00 57.45 57.83 1q4c n PHE 8 Cb 0.33 -0.20 0.52 0.00 -0.01 0.00 0.00 39.48 40.12 1q4c n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1q4c h THR 9 N 1.10 0.00 -2.90 4.37 1.35 -1.69 -3.38 112.91 111.76 1q4c h THR 9 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1q4c h THR 9 Cb 1.11 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1q4c h THR 9 CO 0.10 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1q4c n GLY 10 N 0.34 5.49 3.70 5.82 0.00 -1.26 -4.80 105.19 114.47 1q4c n GLY 10 Ca 0.02 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 1q4c n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q4c s VAL 11 N -0.53 4.60 -0.12 1.61 1.01 -1.26 -4.51 120.40 121.20 1q4c s VAL 11 Ca 0.00 1.87 0.02 0.00 0.00 0.00 0.00 61.98 63.88 1q4c s VAL 11 Cb 0.00 -4.20 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 1q4c s VAL 11 CO 0.00 0.08 -0.20 -0.69 0.00 0.00 0.00 175.10 174.29 1q4c s VAL 12 N 1.53 2.38 0.44 2.92 1.01 0.07 -4.95 120.40 123.80 1q4c s VAL 12 Ca 0.53 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 61.37 1q4c s VAL 12 Cb -0.22 -1.95 -0.08 0.00 0.00 0.00 0.00 36.38 34.13 1q4c s VAL 12 CO 0.24 0.55 1.16 -2.16 0.00 0.00 0.00 175.10 174.89 1q4c s PRO 13 N 0.43 3.86 -0.00 2.72 0.04 -1.26 -0.84 135.00 139.95 1q4c s PRO 13 Ca -0.14 1.78 0.06 0.00 0.04 0.00 0.00 61.00 62.73 1q4c s PRO 13 Cb -0.17 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 1q4c s PRO 13 CO 0.06 -0.47 -0.19 0.42 0.04 0.00 0.00 177.00 176.86 1q4c s ILE 14 N -1.52 1.51 -0.05 0.56 1.01 0.59 -1.27 121.20 122.04 1q4c s ILE 14 Ca 0.61 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 60.42 1q4c s ILE 14 Cb -0.29 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 40.91 1q4c s ILE 14 CO 0.35 0.37 -0.15 -0.76 0.00 0.00 0.00 174.94 174.75 1q4c s LEU 15 N -0.60 1.84 -0.08 2.97 1.43 -0.44 -1.71 118.68 122.10 1q4c s LEU 15 Ca 0.07 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1q4c s LEU 15 Cb -0.08 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.25 1q4c s LEU 15 CO -0.00 0.11 -0.17 -0.69 0.23 0.00 0.00 176.35 175.83 1q4c s VAL 16 N 0.23 1.48 -0.08 -1.59 1.01 -0.07 -1.16 120.40 120.22 1q4c s VAL 16 Ca -0.07 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1q4c s VAL 16 Cb -0.13 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.96 1q4c s VAL 16 CO 0.03 0.43 -0.04 -1.61 0.00 0.00 0.00 175.10 173.91 1q4c s GLU 17 N 0.52 1.02 -0.01 2.72 0.41 -0.48 0.24 118.70 123.12 1q4c s GLU 17 Ca -0.16 -0.10 0.04 0.00 -0.41 0.00 0.00 54.97 54.35 1q4c s GLU 17 Cb -0.16 -1.15 -0.01 0.00 -1.78 0.00 0.00 34.13 31.03 1q4c s GLU 17 CO 0.06 -0.21 -0.13 -1.17 -0.49 0.00 0.00 175.26 173.32 1q4c s LEU 18 N 1.50 2.03 -0.10 1.80 0.20 -0.34 -0.35 118.68 123.42 1q4c s LEU 18 Ca -0.01 -0.24 0.04 0.00 0.69 0.00 0.00 54.13 54.61 1q4c s LEU 18 Cb -0.13 -0.68 0.00 0.00 -0.43 0.00 0.00 46.19 44.95 1q4c s LEU 18 CO -0.04 0.16 -0.23 -1.81 -0.29 0.00 0.00 176.35 174.14 1q4c s ASP 19 N -0.32 3.00 0.12 3.68 1.01 -0.46 -1.64 116.67 122.06 1q4c s ASP 19 Ca 0.05 -0.54 0.03 0.00 0.71 0.00 0.00 52.55 52.79 1q4c s ASP 19 Cb -0.05 -1.37 -0.04 0.00 1.01 0.00 0.00 42.92 42.46 1q4c s ASP 19 CO -0.00 0.15 -0.07 -0.83 0.21 0.00 0.00 175.17 174.62 1q4c s GLY 20 N 0.37 0.89 -0.21 0.21 0.00 0.48 -0.93 107.32 108.13 1q4c s GLY 20 Ca -0.18 -1.41 -0.04 0.00 0.00 0.00 0.00 44.72 43.09 1q4c s GLY 20 CO 0.08 -1.50 0.25 -0.35 0.00 0.00 0.00 173.10 171.58 1q4c s ASP 21 N -3.09 1.16 -0.24 1.64 -1.08 -0.70 -1.20 116.67 113.16 1q4c s ASP 21 Ca 0.14 -0.14 0.02 0.00 -0.52 0.00 0.00 52.55 52.05 1q4c s ASP 21 Cb 0.04 0.53 0.05 0.00 -1.46 0.00 0.00 42.92 42.08 1q4c s ASP 21 CO -0.02 -0.32 -0.13 -0.69 0.52 0.00 0.00 175.17 174.52 1q4c s VAL 22 N 2.37 2.18 -1.34 1.11 1.01 -0.41 0.31 120.40 125.63 1q4c s VAL 22 Ca 0.08 -1.39 -0.08 0.00 0.00 0.00 0.00 61.98 60.59 1q4c s VAL 22 Cb -0.16 -2.17 0.05 0.00 0.00 0.00 0.00 36.38 34.11 1q4c s VAL 22 CO -0.13 0.16 0.51 0.59 0.00 0.00 0.00 175.10 176.23 1q4c n ASN 23 N 4.50 -4.30 0.00 3.32 4.13 -0.11 -0.76 115.26 122.04 1q4c n ASN 23 Ca -0.16 -0.35 0.00 0.00 1.68 0.00 0.00 54.58 55.75 1q4c n ASN 23 Cb 0.45 -3.53 0.00 0.00 -1.54 0.00 0.00 39.78 35.15 1q4c n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1q4c n GLY 24 N -1.25 1.31 3.53 7.41 0.00 -1.26 -5.00 105.19 109.93 1q4c n GLY 24 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1q4c n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1q4c s HIS 25 N -2.59 2.86 0.03 1.61 3.76 0.06 -5.02 115.29 116.00 1q4c s HIS 25 Ca 0.00 0.11 -0.16 0.00 -0.15 0.00 0.00 55.06 54.86 1q4c s HIS 25 Cb 0.00 -3.98 -0.06 0.00 1.11 0.00 0.00 32.58 29.65 1q4c s HIS 25 CO 0.00 -1.23 0.47 0.15 -0.85 0.00 0.00 174.74 173.28 1q4c s LYS 26 N 3.78 4.01 0.21 1.40 1.02 -1.26 -1.29 119.74 127.61 1q4c s LYS 26 Ca 0.32 0.52 -0.22 0.00 0.02 0.00 0.00 55.97 56.60 1q4c s LYS 26 Cb -0.12 -3.21 0.05 0.00 -0.52 0.00 0.00 37.83 34.03 1q4c s LYS 26 CO 0.21 0.66 0.67 -0.59 -0.92 0.00 0.00 175.35 175.39 1q4c s PHE 27 N -1.12 -0.36 0.03 3.18 -0.71 -0.34 -4.99 117.98 113.67 1q4c s PHE 27 Ca 0.26 0.03 0.01 0.00 -1.04 0.00 0.00 56.93 56.19 1q4c s PHE 27 Cb -0.17 0.63 -0.02 0.00 -1.21 0.00 0.00 43.02 42.25 1q4c s PHE 27 CO 0.16 -1.03 -0.06 -1.12 -1.34 0.00 0.00 175.22 171.83 1q4c s SER 28 N -2.83 0.58 -0.01 1.98 0.01 -1.26 -0.39 113.70 111.78 1q4c s SER 28 Ca 0.06 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 56.86 1q4c s SER 28 Cb -0.03 0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.25 1q4c s SER 28 CO -0.03 -0.21 -0.05 -0.69 0.41 0.00 0.00 173.24 172.67 1q4c s VAL 29 N -1.27 0.40 -0.08 3.43 1.01 -0.65 -1.54 120.40 121.70 1q4c s VAL 29 Ca -0.11 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1q4c s VAL 29 Cb -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.94 1q4c s VAL 29 CO -0.00 0.12 -0.21 -0.44 0.00 0.00 0.00 175.10 174.57 1q4c s SER 30 N -0.02 2.68 0.10 3.32 0.01 -0.61 -1.20 113.70 117.98 1q4c s SER 30 Ca 0.01 -0.47 0.07 0.00 1.31 0.00 0.00 55.95 56.87 1q4c s SER 30 Cb -0.03 -1.09 -0.03 0.00 0.21 0.00 0.00 66.02 65.07 1q4c s SER 30 CO -0.00 0.14 -0.17 -0.83 0.41 0.00 0.00 173.24 172.79 1q4c s GLY 31 N 0.30 1.11 0.01 3.44 0.00 0.14 -0.80 107.32 111.51 1q4c s GLY 31 Ca -0.14 -1.20 -0.01 0.00 0.00 0.00 0.00 44.72 43.38 1q4c s GLY 31 CO 0.06 -1.22 0.00 -0.54 0.00 0.00 0.00 173.10 171.40 1q4c s GLU 32 N -2.05 0.26 0.00 2.90 2.02 -0.55 -0.89 118.70 120.39 1q4c s GLU 32 Ca 0.05 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 54.61 1q4c s GLU 32 Cb -0.09 0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.24 1q4c s GLU 32 CO 0.04 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.68 1q4c n GLY 33 N 1.95 -0.65 3.26 -1.39 0.00 -0.69 -1.20 105.19 106.47 1q4c n GLY 33 Ca -0.21 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 1q4c n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q4c s GLU 34 N -0.42 0.82 0.06 1.61 -1.05 -0.53 -0.30 118.70 118.89 1q4c s GLU 34 Ca 0.00 -0.46 0.06 0.00 -0.15 0.00 0.00 54.97 54.42 1q4c s GLU 34 Cb 0.00 0.36 -0.03 0.00 -0.44 0.00 0.00 34.13 34.02 1q4c s GLU 34 CO 0.00 -0.27 -0.16 0.20 0.95 0.00 0.00 175.26 175.98 1q4c s GLY 35 N -2.01 0.92 -0.41 -3.83 0.00 -0.02 -1.64 107.32 100.33 1q4c s GLY 35 Ca -0.06 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.72 1q4c s GLY 35 CO -0.03 -0.94 0.26 -0.35 0.00 0.00 0.00 173.10 172.04 1q4c s ASP 36 N -1.38 2.99 0.62 1.64 -1.08 0.22 -0.75 116.67 118.93 1q4c s ASP 36 Ca 0.02 -2.59 0.35 0.00 -0.52 0.00 0.00 52.55 49.81 1q4c s ASP 36 Cb -0.09 -0.68 2.00 0.00 -1.46 0.00 0.00 42.92 42.69 1q4c s ASP 36 CO 0.02 -0.26 2.26 0.00 0.52 0.00 0.00 175.17 177.71 1q4c h ALA 37 N 6.57 1.39 -0.44 3.66 0.00 -1.74 -1.21 119.26 127.50 1q4c h ALA 37 Ca 0.08 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1q4c h ALA 37 Cb 0.93 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1q4c h ALA 37 CO 0.38 -0.06 0.30 1.15 0.00 0.00 0.00 179.25 181.01 1q4c h THR 38 N 0.00 0.89 -0.16 0.00 2.02 -1.87 -1.78 112.91 112.00 1q4c h THR 38 Ca 0.01 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1q4c h THR 38 Cb 0.11 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1q4c h THR 38 CO -0.00 0.04 0.00 -1.22 0.37 0.00 0.00 175.52 174.71 1q4c n TYR 39 N -4.46 0.22 -2.72 3.16 4.01 -0.51 -4.96 117.16 111.90 1q4c n TYR 39 Ca 0.07 -0.50 -0.20 0.00 -0.16 0.00 0.00 57.90 57.10 1q4c n TYR 39 Cb 0.35 -0.04 0.01 0.00 -0.31 0.00 0.00 39.34 39.35 1q4c n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1q4c n GLY 40 N -0.03 -0.51 3.65 2.72 0.00 -0.67 -4.71 105.19 105.65 1q4c n GLY 40 Ca 0.05 0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1q4c n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q4c s LYS 41 N -5.37 3.46 -0.03 1.61 2.20 -0.85 -0.80 119.74 119.96 1q4c s LYS 41 Ca 0.15 -0.38 0.03 0.00 -0.36 0.00 0.00 55.97 55.40 1q4c s LYS 41 Cb -0.07 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1q4c s LYS 41 CO 0.18 0.49 -0.11 -0.51 -0.36 0.00 0.00 175.35 175.04 1q4c s LEU 42 N -0.27 1.80 -0.08 5.43 1.43 0.03 -0.61 118.68 126.41 1q4c s LEU 42 Ca 0.07 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1q4c s LEU 42 Cb -0.12 -0.67 0.03 0.00 0.03 0.00 0.00 46.19 45.45 1q4c s LEU 42 CO 0.02 0.08 -0.03 0.42 0.23 0.00 0.00 176.35 177.08 1q4c s THR 43 N 0.19 0.60 0.05 5.49 -4.23 -0.65 -1.03 115.64 116.05 1q4c s THR 43 Ca -0.04 -0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.34 1q4c s THR 43 Cb -0.10 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.05 1q4c s THR 43 CO 0.01 0.29 0.20 -0.76 -0.54 0.00 0.00 174.62 173.82 1q4c s LEU 44 N 1.79 1.34 -0.09 4.79 1.02 -0.41 -1.45 118.68 125.67 1q4c s LEU 44 Ca 0.03 -0.42 0.02 0.00 0.02 0.00 0.00 54.13 53.78 1q4c s LEU 44 Cb -0.13 1.01 0.02 0.00 0.02 0.00 0.00 46.19 47.11 1q4c s LEU 44 CO -0.06 -0.60 -0.12 -0.75 0.02 0.00 0.00 176.35 174.84 1q4c s LYS 45 N -2.88 1.78 -0.04 1.70 2.20 -0.34 -0.44 119.74 121.72 1q4c s LYS 45 Ca -0.03 -0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.19 1q4c s LYS 45 Cb 0.00 -1.55 -0.03 0.00 -1.51 0.00 0.00 37.83 34.74 1q4c s LYS 45 CO -0.06 -0.06 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.75 1q4c s PHE 46 N 0.96 2.90 -0.06 4.03 0.08 0.30 -1.48 117.98 124.71 1q4c s PHE 46 Ca -0.09 -0.01 0.02 0.00 0.12 0.00 0.00 56.93 56.97 1q4c s PHE 46 Cb -0.15 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.65 1q4c s PHE 46 CO 0.00 0.34 -0.11 0.42 -0.10 0.00 0.00 175.22 175.76 1q4c s ILE 47 N -0.87 1.07 -0.32 0.64 1.01 0.02 -1.37 121.20 121.37 1q4c s ILE 47 Ca 0.14 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.07 1q4c s ILE 47 Cb -0.11 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1q4c s ILE 47 CO 0.03 0.34 1.06 0.00 0.00 0.00 0.00 174.94 176.38 1q4c n THR 49 N 5.89 0.00 0.87 0.00 -2.24 -0.59 -3.79 114.28 114.41 1q4c n THR 49 Ca 0.11 -0.08 0.10 0.00 -2.27 0.00 0.00 64.05 61.91 1q4c n THR 49 Cb 0.47 0.19 0.02 0.00 -2.10 0.00 0.00 70.33 68.91 1q4c n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1q4c n THR 50 N -0.93 0.00 0.00 4.28 -2.24 -1.25 -4.99 114.28 109.14 1q4c n THR 50 Ca 0.11 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1q4c n THR 50 Cb 0.33 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1q4c n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q4c n GLY 51 N 1.27 0.42 3.77 3.38 0.00 -1.25 -5.02 105.19 107.76 1q4c n GLY 51 Ca 0.09 -1.11 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 1q4c n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q4c s LYS 52 N 0.00 4.42 0.00 1.61 1.02 -1.26 -4.45 119.74 121.08 1q4c s LYS 52 Ca 0.00 0.95 -0.30 0.00 0.02 0.00 0.00 55.97 56.64 1q4c s LYS 52 Cb 0.00 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 1q4c s LYS 52 CO 0.00 0.45 1.26 -1.17 -0.92 0.00 0.00 175.35 174.97 1q4c s LEU 53 N -0.59 4.32 0.00 3.17 2.96 -1.26 -4.91 118.68 122.37 1q4c s LEU 53 Ca 0.34 1.98 0.25 0.00 -0.22 0.00 0.00 54.13 56.48 1q4c s LEU 53 Cb -0.21 -3.57 1.31 0.00 0.50 0.00 0.00 46.19 44.23 1q4c s LEU 53 CO 0.22 -0.59 1.83 -0.81 -1.32 0.00 0.00 176.35 175.68 1q4c n PRO 54 N 4.81 0.47 -4.31 0.98 -0.04 -1.26 -4.79 135.00 130.87 1q4c n PRO 54 Ca 0.11 0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.45 1q4c n PRO 54 Cb 0.45 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 1q4c n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1q4c s VAL 55 N -2.41 0.98 0.26 0.52 -7.23 -1.26 -4.66 120.40 106.60 1q4c s VAL 55 Ca 0.27 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.12 1q4c s VAL 55 Cb 0.17 -2.29 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 1q4c s VAL 55 CO 0.35 -0.36 1.22 -2.84 -0.31 0.00 0.00 175.10 173.16 1q4c s PRO 56 N -3.87 4.48 0.27 4.82 0.02 -1.26 -4.93 135.00 134.53 1q4c s PRO 56 Ca 0.27 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.29 1q4c s PRO 56 Cb 0.06 -3.16 0.60 0.00 0.02 0.00 0.00 34.50 32.01 1q4c s PRO 56 CO 0.08 -0.05 1.73 -1.49 -0.33 0.00 0.00 177.00 176.93 1q4c h TRP 57 N 4.24 0.67 -0.30 6.54 4.06 -1.96 -1.50 115.95 127.71 1q4c h TRP 57 Ca -0.47 0.04 0.09 0.00 2.06 0.00 0.00 58.89 60.61 1q4c h TRP 57 Cb 1.22 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 29.20 1q4c h TRP 57 CO 0.59 0.06 0.24 -1.35 -3.56 0.00 0.00 178.44 174.42 1q4c h PRO 58 N 0.50 0.00 0.00 0.49 0.11 -1.89 -1.64 132.00 129.57 1q4c h PRO 58 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1q4c h PRO 58 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1q4c h PRO 58 CO -0.44 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.60 1q4c n THR 59 N -4.22 0.93 0.80 -1.15 -2.24 -0.56 -2.66 114.28 105.18 1q4c n THR 59 Ca 0.04 0.25 0.08 0.00 -2.27 0.00 0.00 64.05 62.16 1q4c n THR 59 Cb 0.40 -1.10 -0.06 0.00 -2.10 0.00 0.00 70.33 67.47 1q4c n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1q4c n LEU 60 N -1.88 1.18 -0.10 3.22 4.77 -0.62 -4.65 117.00 118.92 1q4c n LEU 60 Ca 0.03 -0.60 -0.06 0.00 -0.03 0.00 0.00 56.01 55.34 1q4c n LEU 60 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1q4c n LEU 60 CO 0.16 0.25 0.78 0.58 -1.33 0.00 0.00 177.39 177.83 1q4c h VAL 61 N 0.78 0.59 -0.02 4.08 2.07 -1.51 -1.43 116.25 120.81 1q4c h VAL 61 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1q4c h VAL 61 Cb 0.48 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1q4c h VAL 61 CO 0.00 0.00 -0.14 0.71 0.02 0.00 0.00 177.57 178.16 1q4c h THR 62 N -0.05 1.11 -0.18 2.57 1.35 -1.82 -2.73 112.91 113.17 1q4c h THR 62 Ca 0.17 -0.52 -0.21 0.00 -0.55 0.00 0.00 66.41 65.30 1q4c h THR 62 Cb 0.31 1.26 0.01 0.00 -1.73 0.00 0.00 68.15 67.99 1q4c h THR 62 CO -0.38 0.15 -0.71 0.74 -0.25 0.00 0.00 175.52 175.07 1q4c h THR 63 N 0.02 1.28 0.00 6.82 2.02 -1.64 -3.47 112.91 117.94 1q4c h THR 63 Ca 0.00 -1.91 -0.64 0.00 0.77 0.00 0.00 66.41 64.64 1q4c h THR 63 Cb 0.27 1.93 0.04 0.00 -1.74 0.00 0.00 68.15 68.65 1q4c h THR 63 CO 0.02 0.61 2.35 0.49 0.37 0.00 0.00 175.52 179.36 1q4c n PHE 64 N -3.98 1.90 0.00 3.16 3.72 -0.62 -5.04 117.46 116.61 1q4c n PHE 64 Ca -0.07 -1.86 0.00 0.00 -0.05 0.00 0.00 57.45 55.47 1q4c n PHE 64 Cb 0.71 -1.73 0.00 0.00 -0.94 0.00 0.00 39.48 37.52 1q4c n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1q4c n VAL 68 N 5.87 0.00 0.37 -4.37 0.24 -1.26 -5.01 118.33 114.16 1q4c n VAL 68 Ca 0.49 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.83 1q4c n VAL 68 Cb 0.39 0.00 0.19 0.00 -1.47 0.00 0.00 33.84 32.95 1q4c n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q4c n GLN 69 N 0.00 0.13 0.08 7.34 6.02 -1.26 -1.52 117.38 128.17 1q4c n GLN 69 Ca 0.00 0.16 0.10 0.00 -0.01 0.00 0.00 57.00 57.26 1q4c n GLN 69 Cb 0.00 -1.50 0.42 0.00 1.02 0.00 0.00 30.24 30.18 1q4c n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1q4c n PHE 71 N -1.95 0.29 -2.11 0.00 3.72 -0.58 -4.72 117.46 112.12 1q4c n PHE 71 Ca 0.03 -0.15 -0.38 0.00 -0.05 0.00 0.00 57.45 56.90 1q4c n PHE 71 Cb 0.21 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 1q4c n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1q4c s SER 72 N -1.45 5.95 -0.31 4.37 0.01 -0.79 -4.09 113.70 117.40 1q4c s SER 72 Ca 0.31 2.47 -0.23 0.00 1.31 0.00 0.00 55.95 59.82 1q4c s SER 72 Cb 0.17 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.78 1q4c s SER 72 CO 0.25 -1.08 0.75 -0.60 0.41 0.00 0.00 173.24 172.97 1q4c s ARG 73 N -2.69 3.95 -0.27 12.44 3.52 -0.15 -4.78 118.95 130.97 1q4c s ARG 73 Ca 0.65 0.52 -0.11 0.00 -0.13 0.00 0.00 55.73 56.66 1q4c s ARG 73 Cb -0.33 -3.73 -0.05 0.00 -1.56 0.00 0.00 34.95 29.29 1q4c s ARG 73 CO 0.40 -0.65 0.17 0.71 -0.81 0.00 0.00 175.30 175.12 1q4c s TYR 74 N 2.87 3.23 0.63 5.12 1.51 -1.26 -0.69 117.35 128.77 1q4c s TYR 74 Ca 0.31 0.10 -0.18 0.00 -1.01 0.00 0.00 57.07 56.29 1q4c s TYR 74 Cb -0.14 -2.34 -0.03 0.00 -0.11 0.00 0.00 41.96 39.34 1q4c s TYR 74 CO 0.12 -0.12 1.03 -2.30 -1.11 0.00 0.00 175.55 173.17 1q4c n PRO 75 N 4.86 0.87 -0.28 -1.71 -0.02 -1.26 -4.71 135.00 132.75 1q4c n PRO 75 Ca -0.14 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.75 1q4c n PRO 75 Cb 0.52 -2.25 0.22 0.00 -0.02 0.00 0.00 33.50 31.97 1q4c n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1q4c h ASP 76 N 0.35 0.32 0.40 2.55 1.82 -2.01 0.21 116.42 120.07 1q4c h ASP 76 Ca -0.49 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.27 1q4c h ASP 76 Cb 1.36 0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.46 1q4c h ASP 76 CO 0.50 0.10 0.00 0.00 -1.61 0.00 0.00 179.24 178.23 1q4c n HIS 77 N -4.99 0.00 0.04 0.28 1.44 -1.26 -2.09 115.22 108.64 1q4c n HIS 77 Ca 0.17 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.93 1q4c n HIS 77 Cb 0.48 -0.48 0.12 0.00 0.12 0.00 0.00 29.99 30.22 1q4c n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1q4c n MET 78 N -1.48 2.10 -0.15 -1.40 2.81 0.70 -4.70 117.12 115.00 1q4c n MET 78 Ca 0.03 -1.77 0.18 0.00 -1.81 0.00 0.00 57.70 54.33 1q4c n MET 78 Cb 0.14 -1.26 0.57 0.00 -0.71 0.00 0.00 33.22 31.95 1q4c n MET 78 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1q4c h LYS 79 N 2.16 0.28 0.00 0.03 2.10 -1.00 -0.75 116.57 119.38 1q4c h LYS 79 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1q4c h LYS 79 Cb 0.65 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1q4c h LYS 79 CO 0.00 0.18 0.00 2.89 -2.00 0.00 0.00 179.45 180.52 1q4c n ARG 80 N -4.44 0.06 -0.20 0.07 1.85 -1.26 -2.43 116.66 110.31 1q4c n ARG 80 Ca 0.15 0.25 0.10 0.00 -1.00 0.00 0.00 57.85 57.35 1q4c n ARG 80 Cb 0.62 -1.50 0.21 0.00 -1.05 0.00 0.00 32.46 30.74 1q4c n ARG 80 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1q4c n HIS 81 N -1.42 0.54 -2.83 2.89 8.25 -0.29 -4.61 115.22 117.74 1q4c n HIS 81 Ca 0.04 -0.32 -0.43 0.00 -0.26 0.00 0.00 57.72 56.75 1q4c n HIS 81 Cb 0.13 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1q4c n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1q4c s ASP 82 N -1.25 6.87 0.16 0.41 -1.08 -1.02 -4.47 116.67 116.29 1q4c s ASP 82 Ca 0.36 -2.53 -0.16 0.00 -0.52 0.00 0.00 52.55 49.70 1q4c s ASP 82 Cb 0.20 -2.45 0.03 0.00 -1.46 0.00 0.00 42.92 39.24 1q4c s ASP 82 CO 0.28 -0.97 1.82 0.15 0.52 0.00 0.00 175.17 176.96 1q4c h PHE 83 N 7.86 0.56 -0.17 -5.34 3.04 -1.89 -2.97 116.94 118.03 1q4c h PHE 83 Ca 0.30 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.31 1q4c h PHE 83 Cb 0.92 -0.19 -0.06 0.00 2.56 0.00 0.00 35.95 39.18 1q4c h PHE 83 CO 1.20 0.35 -0.22 0.74 -2.02 0.00 0.00 178.31 178.36 1q4c h PHE 84 N 0.60 -0.58 -0.02 0.41 0.04 -1.88 -2.11 116.94 113.39 1q4c h PHE 84 Ca 0.16 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.83 1q4c h PHE 84 Cb -0.07 0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 1q4c h PHE 84 CO -0.04 -0.30 -0.61 0.87 -0.60 0.00 0.00 178.31 177.63 1q4c h LYS 85 N -0.26 0.08 0.00 1.51 1.57 -1.84 -3.13 116.57 114.50 1q4c h LYS 85 Ca 0.11 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1q4c h LYS 85 Cb 0.43 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1q4c h LYS 85 CO -0.32 0.66 -0.10 0.66 -0.57 0.00 0.00 179.45 179.78 1q4c h SER 86 N 0.06 0.00 0.70 0.86 4.64 -1.22 -1.72 113.55 116.86 1q4c h SER 86 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1q4c h SER 86 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1q4c h SER 86 CO 0.08 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.14 1q4c n ALA 87 N -2.35 2.43 -2.23 5.18 0.00 -0.95 -4.51 120.51 118.08 1q4c n ALA 87 Ca -0.02 -0.13 -0.29 0.00 0.00 0.00 0.00 53.44 52.99 1q4c n ALA 87 Cb 0.19 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 1q4c n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1q4c s MET 88 N -2.70 3.70 0.21 0.00 1.00 -0.65 -0.49 119.30 120.38 1q4c s MET 88 Ca 0.24 0.37 0.26 0.00 0.00 0.00 0.00 55.69 56.56 1q4c s MET 88 Cb 0.20 -2.40 0.82 0.00 0.00 0.00 0.00 34.83 33.45 1q4c s MET 88 CO 0.48 -0.07 1.77 -0.35 0.00 0.00 0.00 175.02 176.85 1q4c n PRO 89 N -1.55 0.26 -0.15 2.03 -0.04 -1.26 -3.63 135.00 130.66 1q4c n PRO 89 Ca 0.02 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.81 1q4c n PRO 89 Cb 0.54 -1.81 0.44 0.00 -0.04 0.00 0.00 33.50 32.63 1q4c n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1q4c h GLU 90 N 0.00 0.54 0.00 0.54 3.07 -1.91 -2.61 114.58 114.21 1q4c h GLU 90 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1q4c h GLU 90 Cb 0.72 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1q4c h GLU 90 CO 0.00 0.36 0.00 0.41 -1.40 0.00 0.00 179.01 178.38 1q4c n GLY 91 N -1.48 -2.24 3.16 -3.84 0.00 0.36 -4.59 105.19 96.55 1q4c n GLY 91 Ca 0.12 -1.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.22 1q4c n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1q4c s TYR 92 N -0.23 0.35 -0.20 1.61 -0.85 -0.39 -1.10 117.35 116.55 1q4c s TYR 92 Ca 0.00 -0.83 -0.10 0.00 -0.52 0.00 0.00 57.07 55.63 1q4c s TYR 92 Cb 0.00 -0.22 -0.05 0.00 0.38 0.00 0.00 41.96 42.07 1q4c s TYR 92 CO 0.00 -0.48 0.13 0.08 -1.52 0.00 0.00 175.55 173.76 1q4c s VAL 93 N -3.90 5.37 -0.17 -3.49 1.01 0.60 -1.12 120.40 118.70 1q4c s VAL 93 Ca 0.07 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 1q4c s VAL 93 Cb 0.06 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1q4c s VAL 93 CO -0.10 0.45 -0.15 -1.58 0.00 0.00 0.00 175.10 173.72 1q4c s GLN 94 N 0.32 3.16 0.01 2.72 0.74 0.26 -1.33 119.66 125.54 1q4c s GLN 94 Ca 0.08 -0.76 0.08 0.00 0.05 0.00 0.00 55.36 54.80 1q4c s GLN 94 Cb -0.11 -2.66 -0.02 0.00 1.10 0.00 0.00 33.01 31.32 1q4c s GLN 94 CO -0.02 -0.09 -0.23 -1.21 -0.55 0.00 0.00 175.29 173.19 1q4c s GLU 95 N 1.07 1.76 0.06 1.67 2.02 0.22 -0.83 118.70 124.67 1q4c s GLU 95 Ca -0.01 -0.91 -0.05 0.00 0.02 0.00 0.00 54.97 54.02 1q4c s GLU 95 Cb -0.14 -1.79 -0.02 0.00 0.10 0.00 0.00 34.13 32.28 1q4c s GLU 95 CO -0.05 0.48 0.09 1.03 0.02 0.00 0.00 175.26 176.83 1q4c s ARG 96 N -0.81 0.69 -0.08 1.61 0.52 -0.69 -0.84 118.95 119.36 1q4c s ARG 96 Ca 0.09 -0.98 0.01 0.00 -0.52 0.00 0.00 55.73 54.34 1q4c s ARG 96 Cb -0.09 0.27 0.02 0.00 0.52 0.00 0.00 34.95 35.66 1q4c s ARG 96 CO 0.00 -0.18 -0.09 0.99 0.02 0.00 0.00 175.30 176.04 1q4c s THR 97 N -3.49 0.98 -0.24 0.02 2.01 -0.52 -1.28 115.64 113.13 1q4c s THR 97 Ca 0.02 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 61.69 1q4c s THR 97 Cb 0.04 -0.95 0.04 0.00 0.01 0.00 0.00 72.50 71.64 1q4c s THR 97 CO -0.09 0.34 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.45 1q4c s ILE 98 N 1.11 2.46 -0.35 1.82 1.01 0.24 -1.37 121.20 126.12 1q4c s ILE 98 Ca -0.07 -1.25 -0.16 0.00 0.00 0.00 0.00 60.65 59.18 1q4c s ILE 98 Cb -0.14 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 1q4c s ILE 98 CO -0.01 0.17 0.38 -0.36 0.00 0.00 0.00 174.94 175.12 1q4c s PHE 99 N 1.23 3.20 -0.32 3.97 0.40 -0.03 -0.97 117.98 125.46 1q4c s PHE 99 Ca -0.02 -0.07 -0.23 0.00 -0.60 0.00 0.00 56.93 56.01 1q4c s PHE 99 Cb -0.17 -2.72 0.00 0.00 0.51 0.00 0.00 43.02 40.64 1q4c s PHE 99 CO -0.06 -0.48 0.76 -0.06 0.70 0.00 0.00 175.22 176.08 1q4c s PHE 100 N 2.05 3.18 0.12 0.36 0.40 -0.31 -1.24 117.98 122.55 1q4c s PHE 100 Ca 0.12 0.70 -0.35 0.00 -0.60 0.00 0.00 56.93 56.80 1q4c s PHE 100 Cb -0.17 -3.23 -0.16 0.00 0.51 0.00 0.00 43.02 39.98 1q4c s PHE 100 CO 0.12 -0.60 1.41 1.17 0.70 0.00 0.00 175.22 178.02 1q4c n LYS 101 N 6.21 1.52 -2.03 0.44 4.81 -0.41 -0.80 118.16 127.90 1q4c n LYS 101 Ca 0.03 0.55 -0.21 0.00 -0.87 0.00 0.00 58.31 57.81 1q4c n LYS 101 Cb 0.48 -2.23 -0.05 0.00 0.02 0.00 0.00 35.03 33.26 1q4c n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1q4c n ASP 102 N 2.78 -5.74 0.00 3.14 8.00 -1.26 -4.83 116.55 118.64 1q4c n ASP 102 Ca 0.17 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.91 1q4c n ASP 102 Cb 0.23 -4.90 0.00 0.00 -0.02 0.00 0.00 41.12 36.43 1q4c n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1q4c n ASP 103 N -1.71 0.00 -2.01 -2.24 -0.08 0.02 -4.93 116.55 105.60 1q4c n ASP 103 Ca -0.23 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.05 1q4c n ASP 103 Cb 0.69 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.15 1q4c n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q4c n GLY 104 N 0.00 -1.06 3.03 0.27 0.00 -1.13 -4.58 105.19 101.71 1q4c n GLY 104 Ca 0.00 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 1q4c n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q4c s ASN 105 N -1.00 0.59 -0.05 1.61 2.20 -0.69 -1.16 114.94 116.45 1q4c s ASN 105 Ca 0.00 -0.52 -0.01 0.00 -0.94 0.00 0.00 52.86 51.38 1q4c s ASN 105 Cb 0.00 0.06 -0.04 0.00 -2.00 0.00 0.00 41.25 39.28 1q4c s ASN 105 CO 0.00 -0.24 0.04 -0.31 -2.94 0.00 0.00 177.10 173.65 1q4c s TYR 106 N -1.40 3.23 -0.11 1.54 2.02 -0.15 -1.77 117.35 120.72 1q4c s TYR 106 Ca -0.12 0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.81 1q4c s TYR 106 Cb -0.10 -1.77 0.01 0.00 -0.40 0.00 0.00 41.96 39.71 1q4c s TYR 106 CO -0.00 0.52 -0.17 0.15 -1.57 0.00 0.00 175.55 174.48 1q4c s LYS 107 N -1.29 2.41 0.06 -0.62 1.02 0.89 -0.59 119.74 121.62 1q4c s LYS 107 Ca 0.18 -0.63 0.07 0.00 0.02 0.00 0.00 55.97 55.60 1q4c s LYS 107 Cb -0.12 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 1q4c s LYS 107 CO 0.07 -0.04 -0.19 0.95 -0.92 0.00 0.00 175.35 175.23 1q4c s THR 108 N 0.91 1.53 -0.07 2.17 -4.23 -0.40 -0.56 115.64 114.99 1q4c s THR 108 Ca -0.07 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 1q4c s THR 108 Cb -0.15 -1.36 0.02 0.00 1.34 0.00 0.00 72.50 72.35 1q4c s THR 108 CO -0.01 0.09 -0.05 -0.60 -0.54 0.00 0.00 174.62 173.51 1q4c s ARG 109 N -1.34 1.02 0.05 3.99 3.52 -0.58 -1.70 118.95 123.91 1q4c s ARG 109 Ca 0.06 -0.12 0.02 0.00 -0.13 0.00 0.00 55.73 55.56 1q4c s ARG 109 Cb -0.09 -1.09 -0.03 0.00 -1.56 0.00 0.00 34.95 32.18 1q4c s ARG 109 CO 0.02 -0.16 -0.08 0.00 -0.81 0.00 0.00 175.30 174.27 1q4c s ALA 110 N 1.32 0.67 -0.12 6.12 0.00 -0.01 -0.94 121.76 128.80 1q4c s ALA 110 Ca -0.04 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1q4c s ALA 110 Cb -0.14 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1q4c s ALA 110 CO -0.02 -0.06 -0.19 -1.21 0.00 0.00 0.00 175.76 174.27 1q4c s GLU 111 N -2.08 2.67 -0.19 0.00 2.02 -0.22 -0.57 118.70 120.33 1q4c s GLU 111 Ca -0.05 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1q4c s GLU 111 Cb -0.07 -2.19 0.02 0.00 0.10 0.00 0.00 34.13 31.99 1q4c s GLU 111 CO -0.01 -0.03 -0.16 0.08 0.02 0.00 0.00 175.26 175.16 1q4c s VAL 112 N 0.88 2.32 0.24 2.63 1.01 -0.28 -1.45 120.40 125.75 1q4c s VAL 112 Ca -0.07 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.79 1q4c s VAL 112 Cb -0.15 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.25 1q4c s VAL 112 CO -0.01 0.48 0.81 -1.59 0.00 0.00 0.00 175.10 174.79 1q4c s LYS 113 N 1.31 1.61 0.10 2.72 -2.85 -0.53 -1.26 119.74 120.84 1q4c s LYS 113 Ca 0.04 -0.91 -0.18 0.00 -1.00 0.00 0.00 55.97 53.92 1q4c s LYS 113 Cb -0.14 0.54 -0.07 0.00 -2.06 0.00 0.00 37.83 36.10 1q4c s LYS 113 CO -0.11 -0.74 0.58 -0.06 0.10 0.00 0.00 175.35 175.12 1q4c s PHE 114 N -3.56 3.76 -0.34 1.78 0.08 -0.99 -0.76 117.98 117.95 1q4c s PHE 114 Ca 0.12 1.24 0.02 0.00 0.12 0.00 0.00 56.93 58.43 1q4c s PHE 114 Cb -0.04 -2.48 0.10 0.00 -0.57 0.00 0.00 43.02 40.03 1q4c s PHE 114 CO 0.06 0.54 0.09 -1.21 -0.10 0.00 0.00 175.22 174.59 1q4c s GLU 115 N -1.34 1.18 5.65 0.44 0.41 0.16 -4.93 118.70 120.26 1q4c s GLU 115 Ca 0.32 -1.59 0.00 0.00 -0.41 0.00 0.00 54.97 53.29 1q4c s GLU 115 Cb -0.18 -2.68 0.00 0.00 -1.78 0.00 0.00 34.13 29.49 1q4c s GLU 115 CO 0.19 -0.98 0.00 0.41 -0.49 0.00 0.00 175.26 174.40 1q4c n GLY 116 N 4.41 1.70 0.44 -1.39 0.00 -1.26 -2.11 105.19 106.98 1q4c n GLY 116 Ca 0.02 -0.58 0.10 0.00 0.00 0.00 0.00 46.02 45.56 1q4c n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q4c n ASP 117 N 3.79 1.33 -4.67 1.61 8.00 -1.26 -4.89 116.55 120.46 1q4c n ASP 117 Ca 0.00 -1.65 -0.35 0.00 0.71 0.00 0.00 54.79 53.51 1q4c n ASP 117 Cb 0.00 -0.08 -0.09 0.00 -0.02 0.00 0.00 41.12 40.93 1q4c n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1q4c s THR 118 N -1.84 4.97 -0.26 -3.53 2.01 -0.90 -4.33 115.64 111.76 1q4c s THR 118 Ca 0.31 0.03 -0.23 0.00 0.31 0.00 0.00 61.69 62.11 1q4c s THR 118 Cb 0.17 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 1q4c s THR 118 CO 0.25 0.47 0.77 -0.22 -0.69 0.00 0.00 174.62 175.20 1q4c s LEU 119 N 0.23 4.08 -0.09 4.42 1.98 -0.40 -0.67 118.68 128.23 1q4c s LEU 119 Ca 0.05 0.86 0.01 0.00 -2.89 0.00 0.00 54.13 52.16 1q4c s LEU 119 Cb -0.12 -3.08 -0.02 0.00 0.66 0.00 0.00 46.19 43.63 1q4c s LEU 119 CO -0.00 -0.50 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.16 1q4c s VAL 120 N 2.79 3.31 -0.28 1.68 1.01 0.06 -1.33 120.40 127.63 1q4c s VAL 120 Ca 0.32 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1q4c s VAL 120 Cb -0.15 -2.36 0.07 0.00 0.00 0.00 0.00 36.38 33.94 1q4c s VAL 120 CO 0.09 0.56 -0.06 0.21 0.00 0.00 0.00 175.10 175.90 1q4c s ASN 121 N -0.24 4.52 -0.23 3.32 2.47 -0.31 -1.46 114.94 123.01 1q4c s ASN 121 Ca 0.02 -1.63 -0.08 0.00 0.42 0.00 0.00 52.86 51.58 1q4c s ASN 121 Cb -0.13 -1.55 -0.04 0.00 -1.45 0.00 0.00 41.25 38.08 1q4c s ASN 121 CO 0.03 -0.25 0.10 -0.13 -3.72 0.00 0.00 177.10 173.13 1q4c s ARG 122 N 1.06 3.86 0.02 0.43 0.52 -0.53 -1.38 118.95 122.93 1q4c s ARG 122 Ca -0.02 -0.38 0.06 0.00 -0.52 0.00 0.00 55.73 54.86 1q4c s ARG 122 Cb -0.20 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 31.87 1q4c s ARG 122 CO -0.06 -0.02 -0.17 0.42 0.02 0.00 0.00 175.30 175.49 1q4c s ILE 123 N 1.20 1.31 -0.12 1.52 1.01 0.52 -1.06 121.20 125.60 1q4c s ILE 123 Ca 0.05 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1q4c s ILE 123 Cb -0.14 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.19 1q4c s ILE 123 CO 0.04 0.19 -0.23 -1.61 0.00 0.00 0.00 174.94 173.34 1q4c s GLU 124 N -0.86 3.06 -0.05 2.79 2.02 -0.12 -1.35 118.70 124.18 1q4c s GLU 124 Ca 0.05 -0.86 0.04 0.00 0.02 0.00 0.00 54.97 54.22 1q4c s GLU 124 Cb -0.07 -2.36 -0.00 0.00 0.10 0.00 0.00 34.13 31.79 1q4c s GLU 124 CO 0.01 0.11 -0.17 -1.17 0.02 0.00 0.00 175.26 174.05 1q4c s LEU 125 N 0.51 1.90 -0.12 1.80 0.20 -0.11 -1.52 118.68 121.34 1q4c s LEU 125 Ca -0.14 -0.38 0.01 0.00 0.69 0.00 0.00 54.13 54.31 1q4c s LEU 125 Cb -0.17 -1.02 0.02 0.00 -0.43 0.00 0.00 46.19 44.59 1q4c s LEU 125 CO 0.05 0.14 -0.13 -0.75 -0.29 0.00 0.00 176.35 175.37 1q4c s LYS 126 N 0.17 2.07 -0.08 1.98 2.47 0.28 -1.72 119.74 124.90 1q4c s LYS 126 Ca -0.07 -0.49 0.04 0.00 -1.56 0.00 0.00 55.97 53.89 1q4c s LYS 126 Cb -0.13 -1.86 -0.01 0.00 -1.46 0.00 0.00 37.83 34.37 1q4c s LYS 126 CO 0.03 -0.15 -0.21 0.20 0.16 0.00 0.00 175.35 175.39 1q4c s GLY 127 N 1.25 1.38 0.10 5.54 0.00 0.15 -0.08 107.32 115.66 1q4c s GLY 127 Ca -0.02 -0.99 -0.01 0.00 0.00 0.00 0.00 44.72 43.71 1q4c s GLY 127 CO -0.05 -0.49 0.02 -0.26 0.00 0.00 0.00 173.10 172.31 1q4c s ILE 128 N -0.01 0.17 -1.62 0.90 -4.36 -0.73 -0.94 121.20 114.62 1q4c s ILE 128 Ca -0.07 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 1q4c s ILE 128 Cb -0.15 -1.83 0.00 0.00 1.25 0.00 0.00 42.46 41.73 1q4c s ILE 128 CO 0.05 -0.69 0.00 0.47 0.24 0.00 0.00 174.94 175.01 1q4c n ASP 129 N -0.01 -5.05 -4.81 4.36 8.00 -1.26 -1.70 116.55 116.09 1q4c n ASP 129 Ca -0.09 0.18 -0.35 0.00 0.71 0.00 0.00 54.79 55.24 1q4c n ASP 129 Cb 0.63 -4.10 -0.07 0.00 -0.02 0.00 0.00 41.12 37.56 1q4c n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1q4c s PHE 130 N -2.76 3.49 -0.05 1.24 0.40 -1.26 -2.85 117.98 116.19 1q4c s PHE 130 Ca 0.00 1.63 -0.26 0.00 -0.60 0.00 0.00 56.93 57.70 1q4c s PHE 130 Cb 0.00 -2.84 -0.03 0.00 0.51 0.00 0.00 43.02 40.66 1q4c s PHE 130 CO 0.00 0.07 0.81 0.15 0.70 0.00 0.00 175.22 176.95 1q4c s LYS 131 N -2.63 4.47 0.57 0.44 1.02 -1.26 -4.89 119.74 117.47 1q4c s LYS 131 Ca 0.55 1.08 0.27 0.00 0.02 0.00 0.00 55.97 57.89 1q4c s LYS 131 Cb -0.13 -3.46 1.65 0.00 -0.52 0.00 0.00 37.83 35.36 1q4c s LYS 131 CO 0.18 -0.02 2.18 1.49 -0.92 0.00 0.00 175.35 178.27 1q4c h GLU 132 N 6.83 0.00 -0.37 1.68 4.81 -1.96 -0.44 114.58 125.13 1q4c h GLU 132 Ca -0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1q4c h GLU 132 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1q4c h GLU 132 CO 0.76 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.64 1q4c n ASP 133 N -3.99 3.97 -3.22 1.04 5.75 -1.26 -3.80 116.55 115.04 1q4c n ASP 133 Ca -0.01 -2.68 -0.19 0.00 -0.01 0.00 0.00 54.79 51.90 1q4c n ASP 133 Cb 0.18 -0.49 0.13 0.00 -1.03 0.00 0.00 41.12 39.91 1q4c n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q4c n GLY 134 N 0.09 -1.40 0.24 6.12 0.00 -0.18 -4.74 105.19 105.34 1q4c n GLY 134 Ca 0.20 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.65 1q4c n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1q4c h ASN 135 N -1.14 0.00 0.00 1.61 2.35 -1.94 -0.68 115.58 115.78 1q4c h ASN 135 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1q4c h ASN 135 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1q4c h ASN 135 CO 0.19 0.15 -0.07 0.40 -1.65 0.00 0.00 177.43 176.45 1q4c h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.93 -1.48 117.51 121.94 1q4c h ILE 136 Ca -0.00 -0.24 -0.00 0.00 -0.12 0.00 0.00 64.86 64.49 1q4c h ILE 136 Cb 0.59 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.38 1q4c h ILE 136 CO 0.02 0.00 -0.02 -0.07 -0.68 0.00 0.00 178.15 177.40 1q4c h LEU 137 N -0.24 0.00 -0.33 1.44 3.38 -1.76 -1.18 115.31 116.62 1q4c h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1q4c h LEU 137 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1q4c h LEU 137 CO 0.00 0.02 -0.19 0.61 0.09 0.00 0.00 178.44 178.96 1q4c n GLY 138 N -0.44 -0.83 3.52 0.83 0.00 -0.26 -4.92 105.19 103.10 1q4c n GLY 138 Ca -0.01 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 1q4c n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q4c n HIS 139 N -0.87 -2.12 -0.33 1.61 8.25 -0.45 -4.92 115.22 116.39 1q4c n HIS 139 Ca 0.13 0.61 0.07 0.00 -0.26 0.00 0.00 57.72 58.27 1q4c n HIS 139 Cb 0.31 -3.73 0.19 0.00 1.12 0.00 0.00 29.99 27.89 1q4c n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1q4c n LYS 140 N -3.84 2.92 -3.71 -0.41 5.02 -0.57 -4.99 118.16 112.58 1q4c n LYS 140 Ca -0.09 -2.25 -0.37 0.00 -2.02 0.00 0.00 58.31 53.58 1q4c n LYS 140 Cb 0.60 -1.41 -0.07 0.00 -0.02 0.00 0.00 35.03 34.14 1q4c n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1q4c s LEU 141 N -1.31 4.35 0.59 -0.35 1.43 -1.25 -0.40 118.68 121.73 1q4c s LEU 141 Ca 0.29 0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 53.74 1q4c s LEU 141 Cb 0.17 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1q4c s LEU 141 CO 0.16 0.29 1.21 -1.61 0.23 0.00 0.00 176.35 176.64 1q4c s GLU 142 N -0.52 2.99 -1.26 1.70 2.02 0.30 -4.84 118.70 119.09 1q4c s GLU 142 Ca 0.16 1.84 -0.13 0.00 0.02 0.00 0.00 54.97 56.85 1q4c s GLU 142 Cb -0.13 -1.94 0.15 0.00 0.10 0.00 0.00 34.13 32.31 1q4c s GLU 142 CO 0.05 -1.20 1.66 0.98 0.02 0.00 0.00 175.26 176.77 1q4c n TYR 143 N -1.56 4.27 -3.59 1.61 9.36 -1.26 -4.78 117.16 121.20 1q4c n TYR 143 Ca 0.14 -3.10 -0.07 0.00 3.32 0.00 0.00 57.90 58.19 1q4c n TYR 143 Cb 0.49 -2.21 0.01 0.00 -0.63 0.00 0.00 39.34 37.00 1q4c n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1q4c n ASN 144 N 5.57 -1.41 -3.66 2.98 0.23 -1.26 -4.86 115.26 112.84 1q4c n ASN 144 Ca 0.40 -2.09 -0.10 0.00 -0.53 0.00 0.00 54.58 52.26 1q4c n ASN 144 Cb 0.41 2.38 -0.08 0.00 -2.08 0.00 0.00 39.78 40.41 1q4c n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1q4c s TYR 145 N -4.33 -0.81 0.65 -2.53 6.14 -1.26 -4.86 117.35 110.35 1q4c s TYR 145 Ca 0.12 1.74 -0.04 0.00 0.64 0.00 0.00 57.07 59.53 1q4c s TYR 145 Cb -0.03 0.41 0.05 0.00 0.42 0.00 0.00 41.96 42.81 1q4c s TYR 145 CO 0.09 -0.41 0.93 -0.80 0.64 0.00 0.00 175.55 176.00 1q4c s ASN 146 N 1.17 4.99 0.08 4.32 0.01 -1.26 -4.62 114.94 119.62 1q4c s ASN 146 Ca -0.07 0.30 -0.16 0.00 -0.71 0.00 0.00 52.86 52.23 1q4c s ASN 146 Cb -0.06 -1.04 -0.06 0.00 0.41 0.00 0.00 41.25 40.50 1q4c s ASN 146 CO -0.12 -1.43 0.50 -0.44 -1.51 0.00 0.00 177.10 174.11 1q4c s SER 147 N -4.48 6.88 0.12 -1.22 0.01 -1.26 -4.46 113.70 109.29 1q4c s SER 147 Ca 0.59 1.08 -0.05 0.00 1.31 0.00 0.00 55.95 58.88 1q4c s SER 147 Cb -0.11 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 1q4c s SER 147 CO 0.43 0.23 0.14 -1.00 0.41 0.00 0.00 173.24 173.44 1q4c s HIS 148 N -1.24 0.53 -0.11 2.43 3.76 -0.94 -4.99 115.29 114.74 1q4c s HIS 148 Ca 0.31 -0.94 -0.02 0.00 -0.15 0.00 0.00 55.06 54.26 1q4c s HIS 148 Cb -0.17 -0.25 -0.03 0.00 1.11 0.00 0.00 32.58 33.24 1q4c s HIS 148 CO 0.17 -0.57 -0.03 -0.80 -0.85 0.00 0.00 174.74 172.67 1q4c s ASN 149 N -2.97 4.95 -0.26 1.40 0.01 -1.26 -0.86 114.94 115.94 1q4c s ASN 149 Ca 0.16 0.01 -0.04 0.00 -0.71 0.00 0.00 52.86 52.28 1q4c s ASN 149 Cb 0.06 -1.51 0.02 0.00 0.41 0.00 0.00 41.25 40.22 1q4c s ASN 149 CO -0.03 0.30 -0.01 -0.69 -1.51 0.00 0.00 177.10 175.16 1q4c s VAL 150 N -0.40 3.29 -0.20 1.60 1.01 0.50 -4.62 120.40 121.59 1q4c s VAL 150 Ca 0.07 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 1q4c s VAL 150 Cb -0.12 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1q4c s VAL 150 CO 0.02 0.18 0.47 -0.31 0.00 0.00 0.00 175.10 175.46 1q4c s TYR 151 N 1.40 3.38 -0.08 5.22 2.02 -0.73 -0.29 117.35 128.27 1q4c s TYR 151 Ca 0.02 0.72 0.03 0.00 -0.37 0.00 0.00 57.07 57.46 1q4c s TYR 151 Cb -0.17 -2.61 -0.02 0.00 -0.40 0.00 0.00 41.96 38.77 1q4c s TYR 151 CO -0.02 -0.05 -0.16 0.42 -1.57 0.00 0.00 175.55 174.17 1q4c s ILE 152 N 1.46 2.85 0.06 2.71 1.01 -0.00 -1.21 121.20 128.07 1q4c s ILE 152 Ca 0.22 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1q4c s ILE 152 Cb -0.15 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 1q4c s ILE 152 CO 0.09 0.57 -0.07 -0.04 0.00 0.00 0.00 174.94 175.49 1q4c s MET 153 N -0.28 0.61 0.51 2.79 -1.94 -0.27 -2.18 119.30 118.54 1q4c s MET 153 Ca 0.01 -0.95 -0.19 0.00 -1.71 0.00 0.00 55.69 52.86 1q4c s MET 153 Cb -0.13 -0.22 -0.07 0.00 2.01 0.00 0.00 34.83 36.42 1q4c s MET 153 CO 0.03 0.02 1.03 0.00 -0.01 0.00 0.00 175.02 176.08 1q4c s ALA 154 N -2.18 2.87 -0.54 3.03 0.00 -1.23 -0.90 121.76 122.80 1q4c s ALA 154 Ca -0.03 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.47 1q4c s ALA 154 Cb -0.05 -3.22 0.21 0.00 0.00 0.00 0.00 23.12 20.06 1q4c s ALA 154 CO -0.02 -0.40 0.52 -3.47 0.00 0.00 0.00 175.76 172.39 1q4c n ASP 155 N -1.30 1.59 -0.28 0.00 -0.08 0.39 -4.60 116.55 112.27 1q4c n ASP 155 Ca 0.09 -2.92 0.16 0.00 -1.51 0.00 0.00 54.79 50.61 1q4c n ASP 155 Cb 0.53 -0.65 0.43 0.00 2.34 0.00 0.00 41.12 43.76 1q4c n ASP 155 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1q4c h LYS 156 N 4.83 0.55 -0.80 -0.67 1.57 -1.95 -1.10 116.57 119.00 1q4c h LYS 156 Ca 0.17 -0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.07 1q4c h LYS 156 Cb 0.80 -0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.89 1q4c h LYS 156 CO 0.59 0.36 0.36 1.96 -0.57 0.00 0.00 179.45 182.16 1q4c h GLN 157 N 0.57 0.49 -0.38 3.15 4.20 -1.93 -1.81 115.11 119.39 1q4c h GLN 157 Ca 0.50 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.18 1q4c h GLN 157 Cb 1.02 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1q4c h GLN 157 CO -0.24 0.32 0.00 1.63 -0.67 0.00 0.00 178.83 179.87 1q4c n LYS 158 N -4.96 2.92 -3.76 1.46 5.02 -0.55 -4.96 118.16 113.33 1q4c n LYS 158 Ca 0.16 -2.27 -0.27 0.00 -2.02 0.00 0.00 58.31 53.91 1q4c n LYS 158 Cb 0.45 -1.42 0.05 0.00 -0.02 0.00 0.00 35.03 34.09 1q4c n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1q4c n ASN 159 N 0.48 -5.23 0.00 4.39 5.15 -0.53 -4.71 115.26 114.81 1q4c n ASN 159 Ca 0.15 -0.68 0.00 0.00 -0.60 0.00 0.00 54.58 53.45 1q4c n ASN 159 Cb 0.54 -4.41 0.00 0.00 -0.53 0.00 0.00 39.78 35.38 1q4c n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1q4c n GLY 160 N -1.81 4.94 3.13 8.20 0.00 -0.83 -4.34 105.19 114.48 1q4c n GLY 160 Ca 0.00 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 1q4c n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1q4c s ILE 161 N 0.57 0.52 -0.05 -0.61 -4.36 -0.76 -0.46 121.20 116.05 1q4c s ILE 161 Ca 0.00 -1.79 0.07 0.00 -0.26 0.00 0.00 60.65 58.67 1q4c s ILE 161 Cb 0.00 -1.49 -0.01 0.00 1.25 0.00 0.00 42.46 42.21 1q4c s ILE 161 CO 0.00 -0.85 -0.25 -0.54 0.24 0.00 0.00 174.94 173.53 1q4c s LYS 162 N -3.58 2.39 -0.00 0.37 -0.14 -0.08 -1.71 119.74 116.99 1q4c s LYS 162 Ca 0.08 -0.91 0.03 0.00 -1.36 0.00 0.00 55.97 53.81 1q4c s LYS 162 Cb 0.04 -2.11 -0.01 0.00 -1.68 0.00 0.00 37.83 34.08 1q4c s LYS 162 CO -0.06 0.43 -0.09 0.08 -0.76 0.00 0.00 175.35 174.96 1q4c s VAL 163 N -0.30 0.70 -0.02 3.17 1.01 0.35 -1.12 120.40 124.20 1q4c s VAL 163 Ca 0.01 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 1q4c s VAL 163 Cb -0.12 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1q4c s VAL 163 CO 0.02 0.16 0.15 0.54 0.00 0.00 0.00 175.10 175.98 1q4c s ASN 164 N -0.30 -0.04 -0.01 3.32 4.22 -0.35 -0.81 114.94 120.98 1q4c s ASN 164 Ca 0.03 -0.04 -0.30 0.00 -2.14 0.00 0.00 52.86 50.41 1q4c s ASN 164 Cb -0.04 0.25 0.11 0.00 1.28 0.00 0.00 41.25 42.85 1q4c s ASN 164 CO -0.00 -0.28 1.11 0.72 -2.04 0.00 0.00 177.10 176.60 1q4c s PHE 165 N -0.95 -0.14 -0.14 1.54 -0.71 -1.02 -1.77 117.98 114.78 1q4c s PHE 165 Ca -0.10 -0.00 0.02 0.00 -1.04 0.00 0.00 56.93 55.80 1q4c s PHE 165 Cb -0.06 0.56 0.00 0.00 -1.21 0.00 0.00 43.02 42.32 1q4c s PHE 165 CO 0.01 -0.45 -0.19 0.15 -1.34 0.00 0.00 175.22 173.39 1q4c s LYS 166 N -2.78 3.10 -0.14 1.99 1.02 -1.26 -0.59 119.74 121.08 1q4c s LYS 166 Ca 0.11 -0.81 -0.07 0.00 0.02 0.00 0.00 55.97 55.21 1q4c s LYS 166 Cb 0.01 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1q4c s LYS 166 CO -0.03 0.01 0.12 0.42 -0.92 0.00 0.00 175.35 174.94 1q4c s ILE 167 N 0.78 5.29 -0.30 2.17 -1.09 -0.49 -4.87 121.20 122.68 1q4c s ILE 167 Ca -0.07 0.13 -0.03 0.00 -2.23 0.00 0.00 60.65 58.45 1q4c s ILE 167 Cb -0.16 -3.32 0.04 0.00 -1.58 0.00 0.00 42.46 37.44 1q4c s ILE 167 CO -0.00 0.57 0.02 -0.13 -1.23 0.00 0.00 174.94 174.17 1q4c s ARG 168 N -0.64 2.60 -0.05 2.79 0.52 -1.26 -0.86 118.95 122.05 1q4c s ARG 168 Ca 0.12 -1.16 -0.19 0.00 -0.52 0.00 0.00 55.73 53.98 1q4c s ARG 168 Cb -0.12 -3.24 -0.05 0.00 0.52 0.00 0.00 34.95 32.06 1q4c s ARG 168 CO 0.02 -0.58 0.52 -1.01 0.02 0.00 0.00 175.30 174.28 1q4c s HIS 169 N 1.32 3.62 -0.01 -0.53 3.76 0.04 -4.52 115.29 118.98 1q4c s HIS 169 Ca -0.03 1.05 -0.30 0.00 -0.15 0.00 0.00 55.06 55.63 1q4c s HIS 169 Cb -0.19 -2.54 -0.04 0.00 1.11 0.00 0.00 32.58 30.92 1q4c s HIS 169 CO -0.00 0.32 1.08 -0.80 -0.85 0.00 0.00 174.74 174.49 1q4c s ASN 170 N 0.02 7.22 0.17 1.40 0.01 -1.26 0.01 114.94 122.50 1q4c s ASN 170 Ca 0.28 1.77 -0.10 0.00 -0.71 0.00 0.00 52.86 54.10 1q4c s ASN 170 Cb -0.17 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 38.86 1q4c s ASN 170 CO 0.14 -0.40 0.50 -0.63 -1.51 0.00 0.00 177.10 175.19 1q4c s ILE 171 N 1.37 4.98 0.58 0.60 1.01 -0.21 -0.54 121.20 128.99 1q4c s ILE 171 Ca 0.54 0.50 0.28 0.00 0.00 0.00 0.00 60.65 61.96 1q4c s ILE 171 Cb -0.24 -3.65 0.36 0.00 0.01 0.00 0.00 42.46 38.94 1q4c s ILE 171 CO 0.26 0.09 2.08 -0.33 0.00 0.00 0.00 174.94 177.04 1q4c h GLU 172 N 3.06 0.00 -0.04 2.79 5.08 -1.04 -0.69 114.58 123.75 1q4c h GLU 172 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1q4c h GLU 172 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1q4c h GLU 172 CO 0.68 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.29 1q4c n ASP 173 N -3.90 0.49 0.00 1.42 5.68 -1.26 -4.88 116.55 114.10 1q4c n ASP 173 Ca 0.03 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.90 1q4c n ASP 173 Cb 0.36 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1q4c n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q4c n GLY 174 N 0.93 1.12 0.09 6.12 0.00 -0.26 -5.08 105.19 108.11 1q4c n GLY 174 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 1q4c n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q4c n SER 175 N 0.00 0.01 -4.04 1.61 2.88 -1.25 -4.81 113.62 108.02 1q4c n SER 175 Ca 0.00 -1.01 -0.16 0.00 -1.33 0.00 0.00 58.87 56.37 1q4c n SER 175 Cb 0.00 -0.02 -0.13 0.00 -0.75 0.00 0.00 64.21 63.31 1q4c n SER 175 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1q4c s VAL 176 N -0.91 0.65 -0.33 2.46 0.11 -1.26 -1.04 120.40 120.07 1q4c s VAL 176 Ca 0.02 -0.72 -0.05 0.00 -2.93 0.00 0.00 61.98 58.30 1q4c s VAL 176 Cb -0.00 -0.62 0.05 0.00 -1.53 0.00 0.00 36.38 34.28 1q4c s VAL 176 CO 0.01 -0.08 0.07 -1.58 -3.33 0.00 0.00 175.10 170.20 1q4c s GLN 177 N -0.88 2.51 0.27 1.54 2.00 0.10 -4.89 119.66 120.31 1q4c s GLN 177 Ca -0.02 -1.25 -0.29 0.00 -2.00 0.00 0.00 55.36 51.79 1q4c s GLN 177 Cb -0.06 -3.37 -0.09 0.00 0.80 0.00 0.00 33.01 30.28 1q4c s GLN 177 CO 0.00 -0.68 1.04 -1.17 -0.50 0.00 0.00 175.29 173.98 1q4c s LEU 178 N 1.33 4.58 -0.30 3.68 2.96 -1.26 -0.78 118.68 128.89 1q4c s LEU 178 Ca -0.02 2.14 -0.02 0.00 -0.22 0.00 0.00 54.13 56.01 1q4c s LEU 178 Cb -0.20 -3.64 0.10 0.00 0.50 0.00 0.00 46.19 42.95 1q4c s LEU 178 CO 0.01 -0.04 0.10 0.00 -1.32 0.00 0.00 176.35 175.11 1q4c s ALA 179 N -1.19 1.29 -0.09 5.97 0.00 -0.04 -1.29 121.76 126.41 1q4c s ALA 179 Ca 0.44 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.60 1q4c s ALA 179 Cb -0.29 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 1q4c s ALA 179 CO 0.37 -1.65 1.01 -0.51 0.00 0.00 0.00 175.76 174.98 1q4c s ASP 180 N 1.75 7.26 -0.18 0.00 1.11 -0.37 -1.40 116.67 124.85 1q4c s ASP 180 Ca 0.09 1.56 -0.05 0.00 0.18 0.00 0.00 52.55 54.33 1q4c s ASP 180 Cb -0.17 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.23 1q4c s ASP 180 CO -0.28 -0.42 0.01 -1.00 1.18 0.00 0.00 175.17 174.66 1q4c s HIS 181 N 1.84 3.11 -0.10 4.23 3.76 0.24 -0.85 115.29 127.53 1q4c s HIS 181 Ca 0.49 -0.20 0.03 0.00 -0.15 0.00 0.00 55.06 55.24 1q4c s HIS 181 Cb -0.19 -2.03 0.01 0.00 1.11 0.00 0.00 32.58 31.48 1q4c s HIS 181 CO 0.20 -0.01 -0.19 0.71 -0.85 0.00 0.00 174.74 174.59 1q4c s TYR 182 N 0.51 2.20 0.01 1.40 1.51 -0.47 -2.45 117.35 120.07 1q4c s TYR 182 Ca -0.00 -0.95 -0.00 0.00 -1.01 0.00 0.00 57.07 55.11 1q4c s TYR 182 Cb -0.14 -1.52 -0.01 0.00 -0.11 0.00 0.00 41.96 40.18 1q4c s TYR 182 CO 0.02 -0.42 -0.01 -1.14 -1.11 0.00 0.00 175.55 172.88 1q4c s GLN 183 N 0.60 0.24 0.00 -0.62 0.74 0.01 -1.44 119.66 119.20 1q4c s GLN 183 Ca -0.14 -0.44 0.01 0.00 0.05 0.00 0.00 55.36 54.84 1q4c s GLN 183 Cb -0.17 0.09 -0.01 0.00 1.10 0.00 0.00 33.01 34.03 1q4c s GLN 183 CO 0.04 -0.04 -0.05 -0.65 -0.55 0.00 0.00 175.29 174.05 1q4c s GLN 184 N -1.08 0.36 -0.05 1.67 -0.21 -0.02 -0.50 119.66 119.84 1q4c s GLN 184 Ca -0.12 -0.21 0.03 0.00 0.02 0.00 0.00 55.36 55.09 1q4c s GLN 184 Cb -0.07 -0.32 0.00 0.00 1.00 0.00 0.00 33.01 33.62 1q4c s GLN 184 CO -0.01 0.09 -0.13 -0.80 -2.12 0.00 0.00 175.29 172.32 1q4c s ASN 185 N -0.24 1.76 -0.01 5.90 -0.87 -0.69 -0.61 114.94 120.18 1q4c s ASN 185 Ca 0.00 -0.29 0.02 0.00 -1.57 0.00 0.00 52.86 51.03 1q4c s ASN 185 Cb -0.02 -0.59 -0.00 0.00 -0.02 0.00 0.00 41.25 40.61 1q4c s ASN 185 CO -0.00 0.09 -0.06 0.42 -2.57 0.00 0.00 177.10 174.98 1q4c s THR 186 N 0.29 0.48 0.58 1.60 -4.23 -0.44 -1.83 115.64 112.09 1q4c s THR 186 Ca -0.07 -0.24 -0.20 0.00 -1.18 0.00 0.00 61.69 60.00 1q4c s THR 186 Cb -0.12 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.26 1q4c s THR 186 CO 0.02 0.15 1.26 -2.16 -0.54 0.00 0.00 174.62 173.35 1q4c s PRO 187 N -0.02 3.02 -0.15 3.99 0.04 -1.26 -0.29 135.00 140.34 1q4c s PRO 187 Ca 0.01 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 62.89 1q4c s PRO 187 Cb -0.04 -2.05 -0.24 0.00 0.04 0.00 0.00 34.50 32.21 1q4c s PRO 187 CO -0.00 -1.20 0.34 0.82 0.04 0.00 0.00 177.00 177.00 1q4c h ILE 188 N 1.08 0.79 -4.04 0.56 2.04 -1.39 -3.44 117.51 113.11 1q4c h ILE 188 Ca -0.51 -2.29 -0.45 0.00 1.00 0.00 0.00 64.86 62.62 1q4c h ILE 188 Cb 1.30 2.44 0.15 0.00 -0.74 0.00 0.00 36.82 39.97 1q4c h ILE 188 CO 0.56 0.66 0.30 -0.83 0.00 0.00 0.00 178.15 178.84 1q4c s GLY 189 N -5.22 1.63 0.00 5.37 0.00 -1.26 -4.97 107.32 102.87 1q4c s GLY 189 Ca -0.24 -0.80 0.22 0.00 0.00 0.00 0.00 44.72 43.90 1q4c s GLY 189 CO 0.71 -0.12 1.02 1.34 0.00 0.00 0.00 173.10 176.05 1q4c n ASP 190 N -3.97 1.71 -4.43 1.64 -0.08 -1.26 -4.99 116.55 105.17 1q4c n ASP 190 Ca 0.10 -1.35 -0.29 0.00 -1.51 0.00 0.00 54.79 51.74 1q4c n ASP 190 Cb 0.59 0.64 0.24 0.00 2.34 0.00 0.00 41.12 44.93 1q4c n ASP 190 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q4c n GLY 191 N 1.44 -2.09 3.80 0.27 0.00 -1.26 -4.96 105.19 102.39 1q4c n GLY 191 Ca 0.08 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 1q4c n GLY 191 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q4c s PRO 192 N -4.19 3.75 0.21 1.61 0.04 -1.26 -5.07 135.00 130.09 1q4c s PRO 192 Ca 0.66 1.33 0.04 0.00 0.04 0.00 0.00 61.00 63.07 1q4c s PRO 192 Cb -0.23 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 1q4c s PRO 192 CO 0.65 -0.47 -0.04 0.14 0.04 0.00 0.00 177.00 177.32 1q4c s VAL 193 N -2.05 1.16 -0.30 -0.36 -7.23 -1.26 -4.77 120.40 105.60 1q4c s VAL 193 Ca 0.67 -2.06 -0.22 0.00 -1.81 0.00 0.00 61.98 58.56 1q4c s VAL 193 Cb -0.16 -2.20 -0.00 0.00 0.56 0.00 0.00 36.38 34.57 1q4c s VAL 193 CO 0.22 -0.45 0.72 -0.76 -0.31 0.00 0.00 175.10 174.52 1q4c s LEU 194 N -3.28 4.11 -0.25 1.32 1.43 -1.26 -5.03 118.68 115.71 1q4c s LEU 194 Ca 0.25 0.60 -0.17 0.00 -1.03 0.00 0.00 54.13 53.78 1q4c s LEU 194 Cb 0.04 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 1q4c s LEU 194 CO 0.07 -0.54 0.46 -0.76 0.23 0.00 0.00 176.35 175.80 1q4c s LEU 195 N 2.80 4.06 0.42 1.79 1.43 -1.26 -3.80 118.68 124.12 1q4c s LEU 195 Ca 0.29 0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.83 1q4c s LEU 195 Cb -0.15 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 1q4c s LEU 195 CO 0.12 -0.22 0.67 -2.16 0.23 0.00 0.00 176.35 174.98 1q4c s PRO 196 N 2.07 3.41 0.73 1.29 0.04 -1.26 -4.87 135.00 136.41 1q4c s PRO 196 Ca 0.19 -0.16 -0.12 0.00 0.04 0.00 0.00 61.00 60.96 1q4c s PRO 196 Cb -0.16 -2.53 0.03 0.00 0.04 0.00 0.00 34.50 31.89 1q4c s PRO 196 CO 0.09 -0.08 1.12 -0.51 0.04 0.00 0.00 177.00 177.66 1q4c s ASP 197 N -4.10 5.22 0.28 6.66 1.01 -1.26 -3.56 116.67 120.92 1q4c s ASP 197 Ca 0.44 1.05 -0.30 0.00 0.71 0.00 0.00 52.55 54.45 1q4c s ASP 197 Cb -0.10 -1.78 -0.12 0.00 1.01 0.00 0.00 42.92 41.93 1q4c s ASP 197 CO 0.40 -1.48 1.60 0.59 0.21 0.00 0.00 175.17 176.49 1q4c n ASN 198 N -3.08 3.78 -2.57 0.27 3.02 -1.26 -4.79 115.26 110.63 1q4c n ASN 198 Ca 0.07 1.14 -0.05 0.00 -0.03 0.00 0.00 54.58 55.71 1q4c n ASN 198 Cb 0.58 -1.58 0.02 0.00 -0.61 0.00 0.00 39.78 38.19 1q4c n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q4c n HIS 199 N 2.32 -1.68 -4.11 3.10 1.44 -0.93 -4.83 115.22 110.54 1q4c n HIS 199 Ca 0.10 -1.25 -0.10 0.00 -2.01 0.00 0.00 57.72 54.45 1q4c n HIS 199 Cb 0.36 0.62 -0.09 0.00 0.12 0.00 0.00 29.99 31.00 1q4c n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1q4c s TYR 200 N -3.36 0.80 -0.09 -1.40 1.13 -0.70 -0.82 117.35 112.91 1q4c s TYR 200 Ca 0.15 -1.12 0.02 0.00 -1.41 0.00 0.00 57.07 54.70 1q4c s TYR 200 Cb -0.03 -0.35 -0.02 0.00 -1.10 0.00 0.00 41.96 40.46 1q4c s TYR 200 CO 0.07 -0.64 -0.13 -0.51 -2.51 0.00 0.00 175.55 171.83 1q4c s LEU 201 N -3.06 2.79 -0.26 -3.49 1.43 0.60 -0.54 118.68 116.15 1q4c s LEU 201 Ca 0.27 -0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 53.05 1q4c s LEU 201 Cb 0.06 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1q4c s LEU 201 CO 0.05 0.27 0.15 -0.55 0.23 0.00 0.00 176.35 176.50 1q4c s SER 202 N -0.28 5.80 0.13 2.29 0.15 0.41 -0.37 113.70 121.82 1q4c s SER 202 Ca 0.02 -0.03 0.09 0.00 0.70 0.00 0.00 55.95 56.74 1q4c s SER 202 Cb -0.13 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 1q4c s SER 202 CO 0.03 -0.01 -0.22 0.00 1.20 0.00 0.00 173.24 174.24 1q4c s GLN 204 N -2.14 0.21 0.01 0.00 -2.07 -0.67 -2.21 119.66 112.79 1q4c s GLN 204 Ca 0.11 0.28 0.02 0.00 -1.82 0.00 0.00 55.36 53.94 1q4c s GLN 204 Cb -0.09 0.08 -0.01 0.00 -1.09 0.00 0.00 33.01 31.90 1q4c s GLN 204 CO 0.05 -0.04 -0.06 -1.12 -1.32 0.00 0.00 175.29 172.81 1q4c s SER 205 N 0.21 0.65 -0.11 12.60 0.01 -1.26 -1.70 113.70 124.11 1q4c s SER 205 Ca -0.01 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.09 1q4c s SER 205 Cb -0.02 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.17 1q4c s SER 205 CO -0.01 0.01 -0.17 0.00 0.41 0.00 0.00 173.24 173.49 1q4c s ALA 206 N -0.38 1.76 -0.09 1.44 0.00 0.30 -4.48 121.76 120.31 1q4c s ALA 206 Ca -0.01 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 1q4c s ALA 206 Cb -0.04 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1q4c s ALA 206 CO -0.00 -0.00 0.05 -0.51 0.00 0.00 0.00 175.76 175.29 1q4c s LEU 207 N 0.85 3.83 0.00 0.00 1.43 -1.26 -1.53 118.68 122.00 1q4c s LEU 207 Ca -0.09 0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1q4c s LEU 207 Cb -0.15 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1q4c s LEU 207 CO 0.00 0.38 0.51 -1.54 0.23 0.00 0.00 176.35 175.93 1q4c n SER 208 N 2.00 -1.43 -4.24 2.29 3.41 -0.16 -4.94 113.62 110.55 1q4c n SER 208 Ca -0.18 -2.92 -0.23 0.00 -0.26 0.00 0.00 58.87 55.28 1q4c n SER 208 Cb 0.54 2.65 -0.13 0.00 -0.26 0.00 0.00 64.21 67.01 1q4c n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1q4c s LYS 209 N -2.78 1.12 -0.37 4.33 -0.14 -1.26 -1.59 119.74 119.05 1q4c s LYS 209 Ca 0.29 -1.02 -0.23 0.00 -1.36 0.00 0.00 55.97 53.64 1q4c s LYS 209 Cb -0.01 -1.28 0.01 0.00 -1.68 0.00 0.00 37.83 34.87 1q4c s LYS 209 CO 0.21 0.31 0.80 0.34 -0.76 0.00 0.00 175.35 176.24 1q4c s ASP 210 N -1.60 6.57 0.60 2.83 -1.08 -1.26 -4.94 116.67 117.78 1q4c s ASP 210 Ca 0.05 0.38 0.30 0.00 -0.52 0.00 0.00 52.55 52.75 1q4c s ASP 210 Cb -0.09 -2.40 1.64 0.00 -1.46 0.00 0.00 42.92 40.60 1q4c s ASP 210 CO 0.03 -0.75 2.04 1.55 0.52 0.00 0.00 175.17 178.56 1q4c h PRO 211 N 8.48 0.00 -0.42 4.34 0.13 -2.04 -1.36 132.00 141.13 1q4c h PRO 211 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1q4c h PRO 211 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1q4c h PRO 211 CO 0.92 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.78 1q4c n ASN 212 N -3.64 3.51 -4.56 1.44 3.02 -1.26 -4.90 115.26 108.87 1q4c n ASN 212 Ca 0.03 -1.99 -0.40 0.00 -0.03 0.00 0.00 54.58 52.19 1q4c n ASN 212 Cb 0.41 -0.27 -0.10 0.00 -0.61 0.00 0.00 39.78 39.21 1q4c n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1q4c s GLU 213 N -1.43 3.74 0.11 3.52 2.56 -0.51 -4.94 118.70 121.74 1q4c s GLU 213 Ca 0.39 -0.36 0.23 0.00 0.00 0.00 0.00 54.97 55.23 1q4c s GLU 213 Cb 0.23 -3.74 0.13 0.00 2.00 0.00 0.00 34.13 32.75 1q4c s GLU 213 CO 0.32 -0.36 1.11 1.63 -0.56 0.00 0.00 175.26 177.40 1q4c n LYS 214 N 5.21 0.38 -2.27 4.30 4.76 -1.26 -4.88 118.16 124.41 1q4c n LYS 214 Ca -0.11 0.05 -0.32 0.00 -2.87 0.00 0.00 58.31 55.06 1q4c n LYS 214 Cb 0.50 -1.68 -0.02 0.00 -1.84 0.00 0.00 35.03 31.99 1q4c n LYS 214 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1q4c s ARG 215 N -3.24 3.81 0.04 1.97 0.52 -1.26 -4.98 118.95 115.80 1q4c s ARG 215 Ca 0.03 0.96 -0.30 0.00 -0.52 0.00 0.00 55.73 55.90 1q4c s ARG 215 Cb 0.13 -2.11 -0.07 0.00 0.52 0.00 0.00 34.95 33.42 1q4c s ARG 215 CO 0.77 -0.39 1.51 0.34 0.02 0.00 0.00 175.30 177.56 1q4c s ASP 216 N -3.19 6.73 0.34 0.23 2.15 -1.26 -4.95 116.67 116.73 1q4c s ASP 216 Ca 0.59 2.30 -0.12 0.00 0.43 0.00 0.00 52.55 55.74 1q4c s ASP 216 Cb -0.11 -2.56 0.03 0.00 -0.30 0.00 0.00 42.92 39.98 1q4c s ASP 216 CO 0.35 -0.79 0.65 -1.38 -0.17 0.00 0.00 175.17 173.83 1q4c s HIS 217 N 2.41 0.37 -0.14 -5.34 -3.43 -1.26 -1.29 115.29 106.62 1q4c s HIS 217 Ca 0.68 -0.85 -0.08 0.00 -0.80 0.00 0.00 55.06 54.01 1q4c s HIS 217 Cb -0.36 0.48 0.05 0.00 -1.43 0.00 0.00 32.58 31.32 1q4c s HIS 217 CO 0.29 -1.33 0.34 1.41 -2.00 0.00 0.00 174.74 173.45 1q4c s MET 218 N -2.97 0.31 -0.15 -0.38 1.75 -0.47 -4.98 119.30 112.41 1q4c s MET 218 Ca 0.20 0.67 -0.06 0.00 -1.25 0.00 0.00 55.69 55.25 1q4c s MET 218 Cb -0.03 -0.06 -0.04 0.00 2.84 0.00 0.00 34.83 37.54 1q4c s MET 218 CO 0.13 -0.16 0.05 0.08 -0.65 0.00 0.00 175.02 174.47 1q4c s VAL 219 N 1.32 4.67 -0.04 10.11 1.01 -0.62 -0.54 120.40 136.30 1q4c s VAL 219 Ca -0.09 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1q4c s VAL 219 Cb -0.09 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1q4c s VAL 219 CO -0.11 0.52 -0.10 -0.22 0.00 0.00 0.00 175.10 175.18 1q4c s LEU 220 N -0.08 1.69 -0.14 3.92 2.96 0.41 -0.98 118.68 126.46 1q4c s LEU 220 Ca 0.06 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1q4c s LEU 220 Cb -0.12 -0.68 0.02 0.00 0.50 0.00 0.00 46.19 45.91 1q4c s LEU 220 CO 0.01 0.05 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.70 1q4c s LEU 221 N 0.43 1.86 0.02 -0.68 2.96 -0.58 -1.29 118.68 121.39 1q4c s LEU 221 Ca -0.08 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.33 1q4c s LEU 221 Cb -0.12 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 1q4c s LEU 221 CO 0.02 0.01 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.29 1q4c s GLU 222 N 1.12 0.48 -0.05 1.98 2.12 -0.20 -0.54 118.70 123.61 1q4c s GLU 222 Ca -0.02 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 54.88 1q4c s GLU 222 Cb -0.14 -0.37 0.01 0.00 0.26 0.00 0.00 34.13 33.89 1q4c s GLU 222 CO -0.06 0.09 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.58 1q4c s PHE 223 N -0.70 1.27 -0.02 5.30 0.08 -0.69 -0.79 117.98 122.43 1q4c s PHE 223 Ca -0.03 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.61 1q4c s PHE 223 Cb -0.06 -0.93 0.02 0.00 -0.57 0.00 0.00 43.02 41.48 1q4c s PHE 223 CO 0.00 -0.21 0.00 0.08 -0.10 0.00 0.00 175.22 174.99 1q4c s VAL 224 N 0.52 0.12 -0.03 -0.44 1.01 0.02 -1.67 120.40 119.93 1q4c s VAL 224 Ca -0.10 0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1q4c s VAL 224 Cb -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1q4c s VAL 224 CO 0.02 0.11 -0.10 -0.89 0.00 0.00 0.00 175.10 174.24 1q4c s THR 225 N 0.76 0.89 0.42 3.92 2.01 -0.58 -0.98 115.64 122.08 1q4c s THR 225 Ca -0.07 -0.41 -0.22 0.00 0.31 0.00 0.00 61.69 61.29 1q4c s THR 225 Cb -0.10 -0.79 -0.10 0.00 0.01 0.00 0.00 72.50 71.52 1q4c s THR 225 CO -0.02 0.27 0.98 0.00 -0.69 0.00 0.00 174.62 175.17 1q4c s ALA 226 N 0.20 3.04 0.20 7.40 0.00 0.14 -0.45 121.76 132.30 1q4c s ALA 226 Ca -0.04 0.52 -0.07 0.00 0.00 0.00 0.00 51.96 52.37 1q4c s ALA 226 Cb -0.09 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.86 1q4c s ALA 226 CO 0.01 -0.01 0.40 0.00 0.00 0.00 0.00 175.76 176.15 1q4c n ALA 227 N -0.39 -0.88 -0.10 0.00 0.00 0.29 -4.59 120.51 114.83 1q4c n ALA 227 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1q4c n ALA 227 Cb 0.52 0.51 0.00 0.00 0.00 0.00 0.00 19.45 20.49 1q4c n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q4c n GLY 228 N -0.27 0.54 2.92 0.00 0.00 -1.26 -1.72 105.19 105.39 1q4c n GLY 228 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 1q4c n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q4c s ILE 229 N -2.21 0.46 -1.29 -0.61 1.01 -1.26 -4.86 121.20 112.44 1q4c s ILE 229 Ca 0.00 -0.16 0.10 0.00 0.00 0.00 0.00 60.65 60.59 1q4c s ILE 229 Cb 0.00 -0.45 0.08 0.00 0.01 0.00 0.00 42.46 42.10 1q4c s ILE 229 CO 0.00 0.17 0.83 0.35 0.00 0.00 0.00 174.94 176.29