#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q85 s ASN 3 N 0.00 2.42 0.53 0.55 2.20 -1.26 -4.61 114.94 114.78 1q85 s ASN 3 Ca 0.00 1.05 0.27 0.00 -0.94 0.00 0.00 52.86 53.24 1q85 s ASN 3 Cb 0.00 -1.63 1.51 0.00 -2.00 0.00 0.00 41.25 39.13 1q85 s ASN 3 CO 0.00 -3.24 2.11 0.08 -2.94 0.00 0.00 177.10 173.11 1q85 h ARG 4 N -1.97 0.00 -0.21 3.55 0.11 0.11 -2.45 114.38 113.53 1q85 h ARG 4 Ca -0.53 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.36 1q85 h ARG 4 Cb 1.33 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.41 1q85 h ARG 4 CO 0.55 0.09 -0.61 0.00 0.10 0.00 0.00 179.97 180.10 1q85 h ARG 5 N 0.00 0.72 -0.08 0.08 3.08 -1.92 -0.99 114.38 115.26 1q85 h ARG 5 Ca -0.00 -0.49 -0.06 0.00 0.07 0.00 0.00 59.98 59.50 1q85 h ARG 5 Cb 0.25 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1q85 h ARG 5 CO 0.01 1.11 -0.17 0.93 -1.07 0.00 0.00 179.97 180.78 1q85 h GLU 6 N 0.53 0.26 -0.42 0.04 5.08 -1.84 -1.91 114.58 116.32 1q85 h GLU 6 Ca -0.01 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1q85 h GLU 6 Cb 1.20 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 1q85 h GLU 6 CO 0.12 0.77 0.19 0.28 -1.00 0.00 0.00 179.01 179.37 1q85 h VAL 7 N -0.22 0.93 -0.16 3.13 2.07 -1.49 -1.86 116.25 118.66 1q85 h VAL 7 Ca 0.00 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1q85 h VAL 7 Cb 0.77 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1q85 h VAL 7 CO 0.04 0.07 0.09 0.28 0.02 0.00 0.00 177.57 178.07 1q85 h SER 8 N 0.38 0.15 -0.93 0.57 0.02 -1.20 -2.15 113.55 110.39 1q85 h SER 8 Ca 0.19 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.35 1q85 h SER 8 Cb 0.13 -0.03 -0.11 0.00 0.14 0.00 0.00 62.40 62.53 1q85 h SER 8 CO -0.16 0.11 0.50 0.50 -1.14 0.00 0.00 176.83 176.64 1q85 h LYS 9 N 0.19 0.54 0.19 3.45 1.63 -0.72 -0.74 116.57 121.12 1q85 h LYS 9 Ca 0.06 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1q85 h LYS 9 Cb -0.00 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 1q85 h LYS 9 CO -0.03 0.36 -0.09 1.25 -3.45 0.00 0.00 179.45 177.49 1q85 h LEU 10 N 0.56 -0.22 -1.64 5.20 6.46 -0.76 -2.97 115.31 121.94 1q85 h LEU 10 Ca 0.57 -0.17 0.12 0.00 -0.12 0.00 0.00 57.88 58.27 1q85 h LEU 10 Cb 0.99 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.94 1q85 h LEU 10 CO -0.45 0.05 0.44 -0.07 -0.62 0.00 0.00 178.44 177.79 1q85 h LEU 11 N -0.50 0.35 0.00 2.25 3.38 -0.67 0.40 115.31 120.52 1q85 h LEU 11 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1q85 h LEU 11 Cb 0.38 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1q85 h LEU 11 CO 0.04 0.20 0.00 -0.24 0.09 0.00 0.00 178.44 178.53 1q85 n SER 12 N -4.47 0.00 -0.09 -0.43 2.88 -0.39 -3.29 113.62 107.84 1q85 n SER 12 Ca 0.11 0.19 -0.11 0.00 -1.33 0.00 0.00 58.87 57.74 1q85 n SER 12 Cb 0.45 -0.36 -0.11 0.00 -0.75 0.00 0.00 64.21 63.43 1q85 n SER 12 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1q85 n GLU 13 N -1.36 0.98 -3.57 -1.46 -0.58 0.14 -4.77 120.64 110.02 1q85 n GLU 13 Ca 0.07 0.05 -0.16 0.00 -0.42 0.00 0.00 57.16 56.71 1q85 n GLU 13 Cb 0.18 -1.40 -0.06 0.00 -0.57 0.00 0.00 31.44 29.59 1q85 n GLU 13 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1q85 s ARG 14 N -2.39 0.96 -0.08 3.49 1.70 -0.84 -4.43 118.95 117.36 1q85 s ARG 14 Ca -0.17 0.55 -0.30 0.00 -0.47 0.00 0.00 55.73 55.34 1q85 s ARG 14 Cb 0.06 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.85 1q85 s ARG 14 CO 0.55 -0.23 1.58 0.08 -1.08 0.00 0.00 175.30 176.20 1q85 s VAL 15 N -0.56 3.72 0.59 4.99 1.01 -0.10 -4.41 120.40 125.64 1q85 s VAL 15 Ca -0.06 0.86 -0.09 0.00 0.00 0.00 0.00 61.98 62.69 1q85 s VAL 15 Cb -0.02 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1q85 s VAL 15 CO 0.06 -0.09 0.96 -0.76 0.00 0.00 0.00 175.10 175.27 1q85 s LEU 16 N 4.01 3.30 -0.11 3.92 1.43 0.16 -4.81 118.68 126.58 1q85 s LEU 16 Ca 0.70 1.19 0.03 0.00 -1.03 0.00 0.00 54.13 55.01 1q85 s LEU 16 Cb -0.31 -4.16 -0.00 0.00 0.03 0.00 0.00 46.19 41.75 1q85 s LEU 16 CO 0.27 -0.86 -0.21 -0.22 0.23 0.00 0.00 176.35 175.56 1q85 s LEU 17 N -5.06 2.28 0.00 1.79 2.96 -1.26 -1.98 118.68 117.41 1q85 s LEU 17 Ca 0.53 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1q85 s LEU 17 Cb -0.11 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.11 1q85 s LEU 17 CO 0.50 0.16 0.00 -0.11 -1.32 0.00 0.00 176.35 175.59 1q85 n LEU 18 N 3.52 0.00 0.00 -0.68 0.00 -0.45 -0.09 117.00 119.31 1q85 n LEU 18 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 55.81 1q85 n LEU 18 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.95 1q85 n LEU 18 CO 0.29 -0.49 0.01 -0.90 0.00 0.00 0.00 177.39 176.30 1q85 n ASP 19 N -2.93 0.55 0.00 1.96 3.85 -1.05 -4.57 116.55 114.36 1q85 n ASP 19 Ca 0.00 -1.06 0.00 0.00 -0.71 0.00 0.00 54.79 53.02 1q85 n ASP 19 Cb 0.00 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.76 1q85 n ASP 19 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1q85 n GLY 20 N 4.75 3.92 3.86 6.12 0.00 -1.26 -3.88 105.19 118.71 1q85 n GLY 20 Ca 0.00 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 1q85 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q85 s ALA 21 N -2.08 3.10 -0.07 4.61 0.00 -1.17 -4.97 121.76 121.18 1q85 s ALA 21 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 51.99 1q85 s ALA 21 Cb 0.00 -3.07 -0.07 0.00 0.00 0.00 0.00 23.12 19.98 1q85 s ALA 21 CO 0.00 -0.50 -0.01 0.66 0.00 0.00 0.00 175.76 175.91 1q85 n TYR 22 N -2.28 0.00 -0.22 0.00 4.01 -1.26 -4.65 117.16 112.77 1q85 n TYR 22 Ca 0.06 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.82 1q85 n TYR 22 Cb 0.54 -0.31 0.11 0.00 -0.31 0.00 0.00 39.34 39.37 1q85 n TYR 22 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1q85 h GLY 23 N 1.02 0.70 1.05 2.72 0.00 -1.98 0.53 103.07 107.11 1q85 h GLY 23 Ca -0.17 0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 1q85 h GLY 23 CO -0.00 -0.22 0.14 -0.91 0.00 0.00 0.00 176.54 175.55 1q85 h THR 24 N 0.12 1.26 -0.70 4.70 1.35 -1.96 -2.63 112.91 115.05 1q85 h THR 24 Ca 0.34 -0.99 -0.07 0.00 -0.55 0.00 0.00 66.41 65.15 1q85 h THR 24 Cb 0.57 0.63 -0.03 0.00 -1.73 0.00 0.00 68.15 67.59 1q85 h THR 24 CO -0.56 0.37 0.16 -0.33 -0.25 0.00 0.00 175.52 174.92 1q85 h GLU 25 N 1.00 1.13 -3.55 4.72 4.39 -1.61 -3.34 114.58 117.31 1q85 h GLU 25 Ca 0.20 -0.28 -0.45 0.00 0.34 0.00 0.00 59.36 59.17 1q85 h GLU 25 Cb 0.40 -0.15 0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1q85 h GLU 25 CO 0.01 1.00 2.72 1.19 -1.16 0.00 0.00 179.01 182.77 1q85 n PHE 26 N -4.23 1.61 0.00 4.33 0.99 0.10 -4.48 117.46 115.78 1q85 n PHE 26 Ca 0.05 -2.09 0.00 0.00 -0.00 0.00 0.00 57.45 55.41 1q85 n PHE 26 Cb 0.27 -1.79 0.00 0.00 -1.00 0.00 0.00 39.48 36.96 1q85 n PHE 26 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1q85 n LYS 28 N 4.56 0.00 -0.67 -1.08 5.02 -1.26 -4.46 118.16 120.27 1q85 n LYS 28 Ca 0.49 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.87 1q85 n LYS 28 Cb 0.18 -3.02 0.37 0.00 -0.02 0.00 0.00 35.03 32.54 1q85 n LYS 28 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1q85 n TYR 29 N -1.83 1.61 -0.96 2.13 4.02 -1.26 -4.91 117.16 115.95 1q85 n TYR 29 Ca 0.00 -0.62 0.00 0.00 -0.01 0.00 0.00 57.90 57.27 1q85 n TYR 29 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.02 1q85 n TYR 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q85 n GLY 30 N 1.03 0.74 3.63 2.72 0.00 -1.26 -5.01 105.19 107.03 1q85 n GLY 30 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 1q85 n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1q85 s TYR 31 N -2.90 3.24 -0.05 1.61 1.51 -1.26 -4.94 117.35 114.55 1q85 s TYR 31 Ca 0.00 0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.15 1q85 s TYR 31 Cb 0.00 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1q85 s TYR 31 CO 0.00 0.17 0.09 -0.40 -1.11 0.00 0.00 175.55 174.30 1q85 n ASP 32 N 3.43 2.87 -4.54 2.29 5.68 -1.26 -4.71 116.55 120.32 1q85 n ASP 32 Ca -0.17 -0.20 -0.29 0.00 -0.50 0.00 0.00 54.79 53.63 1q85 n ASP 32 Cb 0.52 1.09 0.22 0.00 -1.14 0.00 0.00 41.12 41.82 1q85 n ASP 32 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1q85 n ASP 33 N -1.43 -0.99 -4.66 -1.12 5.68 -1.26 -4.81 116.55 107.96 1q85 n ASP 33 Ca -0.00 0.06 -0.59 0.00 -0.50 0.00 0.00 54.79 53.76 1q85 n ASP 33 Cb 0.07 -1.33 -0.08 0.00 -1.14 0.00 0.00 41.12 38.64 1q85 n ASP 33 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1q85 n LEU 34 N -4.58 1.47 -0.26 -2.12 7.99 -1.26 -4.79 117.00 113.45 1q85 n LEU 34 Ca 0.06 1.13 0.33 0.00 -0.01 0.00 0.00 56.01 57.52 1q85 n LEU 34 Cb 0.53 -1.04 0.74 0.00 -0.11 0.00 0.00 43.42 43.54 1q85 n LEU 34 CO 0.54 -0.95 1.30 1.55 -1.51 0.00 0.00 177.39 178.32 1q85 h PRO 35 N 5.26 0.00 0.00 3.23 0.13 -1.98 0.29 132.00 138.93 1q85 h PRO 35 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1q85 h PRO 35 Cb 1.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1q85 h PRO 35 CO 0.87 0.00 -0.25 0.93 -0.23 0.00 0.00 178.00 179.32 1q85 h GLU 36 N 0.00 0.00 0.00 0.86 3.07 -1.87 -2.49 114.58 114.15 1q85 h GLU 36 Ca 0.51 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.35 1q85 h GLU 36 Cb 2.05 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.95 1q85 h GLU 36 CO -0.01 0.25 -0.07 0.93 -1.40 0.00 0.00 179.01 178.72 1q85 h GLU 37 N 0.00 0.00 0.00 2.33 5.08 -0.74 -2.75 114.58 118.49 1q85 h GLU 37 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1q85 h GLU 37 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1q85 h GLU 37 CO 0.03 0.07 0.00 -0.07 -1.00 0.00 0.00 179.01 178.04 1q85 h LEU 38 N 0.00 0.00 -2.22 1.33 3.38 -1.54 -1.08 115.31 115.19 1q85 h LEU 38 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1q85 h LEU 38 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1q85 h LEU 38 CO 0.01 0.00 0.00 0.78 0.09 0.00 0.00 178.44 179.32 1q85 h ASN 39 N 0.00 0.00 0.00 -0.43 2.35 -1.65 0.19 115.58 116.04 1q85 h ASN 39 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1q85 h ASN 39 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1q85 h ASN 39 CO 0.00 0.00 -0.53 -0.38 -1.65 0.00 0.00 177.43 174.87 1q85 n ILE 40 N -2.86 1.19 -0.15 2.81 5.41 -0.57 -4.29 119.36 120.90 1q85 n ILE 40 Ca -0.02 0.25 0.03 0.00 1.00 0.00 0.00 62.75 64.01 1q85 n ILE 40 Cb 0.12 -1.95 0.31 0.00 -0.71 0.00 0.00 39.64 37.41 1q85 n ILE 40 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1q85 h LYS 41 N -0.53 0.82 -1.14 0.38 1.79 -1.28 -3.36 116.57 113.25 1q85 h LYS 41 Ca 0.00 -0.05 -0.41 0.00 -2.18 0.00 0.00 60.65 58.01 1q85 h LYS 41 Cb 0.53 -0.19 -0.28 0.00 -1.58 0.00 0.00 32.23 30.71 1q85 h LYS 41 CO 0.00 0.54 -0.85 0.00 -1.08 0.00 0.00 179.45 178.07 1q85 n ALA 42 N -2.44 0.78 0.33 3.86 0.00 0.61 -4.96 120.51 118.69 1q85 n ALA 42 Ca 0.07 -2.54 0.22 0.00 0.00 0.00 0.00 53.44 51.18 1q85 n ALA 42 Cb 0.07 -1.04 1.17 0.00 0.00 0.00 0.00 19.45 19.66 1q85 n ALA 42 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1q85 h PRO 43 N 3.81 0.00 -0.33 0.00 0.13 -1.51 -1.83 132.00 132.27 1q85 h PRO 43 Ca -0.02 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.95 1q85 h PRO 43 Cb 0.96 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1q85 h PRO 43 CO 0.39 0.00 -0.42 -0.44 -0.23 0.00 0.00 178.00 177.30 1q85 h ASP 44 N 0.00 0.91 0.21 1.44 3.32 -1.93 -1.93 116.42 118.44 1q85 h ASP 44 Ca -0.00 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1q85 h ASP 44 Cb 0.01 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1q85 h ASP 44 CO 0.00 1.20 -0.10 0.58 -1.72 0.00 0.00 179.24 179.21 1q85 h VAL 45 N 0.68 0.87 -1.00 -1.35 2.07 -1.68 -1.46 116.25 114.38 1q85 h VAL 45 Ca 0.05 -0.46 0.22 0.00 0.82 0.00 0.00 66.70 67.33 1q85 h VAL 45 Cb 1.00 1.14 -0.11 0.00 -1.52 0.00 0.00 31.29 31.81 1q85 h VAL 45 CO 0.10 0.10 0.62 0.58 0.02 0.00 0.00 177.57 178.99 1q85 h VAL 46 N -0.51 0.62 -0.34 2.57 2.07 -1.51 0.88 116.25 120.03 1q85 h VAL 46 Ca -0.03 -0.21 -0.15 0.00 0.82 0.00 0.00 66.70 67.13 1q85 h VAL 46 Cb 0.38 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1q85 h VAL 46 CO 0.05 0.11 -0.38 0.25 0.02 0.00 0.00 177.57 177.62 1q85 h LEU 47 N 0.62 0.86 0.25 2.57 5.85 -1.06 -2.05 115.31 122.35 1q85 h LEU 47 Ca 0.59 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1q85 h LEU 47 Cb 1.12 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1q85 h LEU 47 CO -0.38 1.14 -0.12 0.50 -0.34 0.00 0.00 178.44 179.24 1q85 h LYS 48 N 0.66 -0.32 -0.53 1.25 3.11 0.22 -1.34 116.57 119.63 1q85 h LYS 48 Ca 0.06 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.92 1q85 h LYS 48 Cb 0.95 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 32.22 1q85 h LYS 48 CO 0.09 -0.12 0.34 0.28 -2.81 0.00 0.00 179.45 177.23 1q85 h VAL 49 N -0.47 1.14 -0.64 2.00 2.07 -1.33 -0.98 116.25 118.05 1q85 h VAL 49 Ca -0.03 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.29 1q85 h VAL 49 Cb 0.35 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1q85 h VAL 49 CO 0.06 0.14 0.30 0.45 0.02 0.00 0.00 177.57 178.54 1q85 h HIS 50 N 0.71 0.54 -0.73 1.57 3.86 -1.28 -2.49 115.15 117.34 1q85 h HIS 50 Ca 0.19 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 1q85 h HIS 50 Cb -0.06 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 1q85 h HIS 50 CO -0.03 0.21 0.36 0.00 0.86 0.00 0.00 177.93 179.33 1q85 h ARG 51 N 0.54 1.04 -0.60 2.45 3.08 -0.51 -2.80 114.38 117.58 1q85 h ARG 51 Ca 0.31 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 60.26 1q85 h ARG 51 Cb 0.30 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 1q85 h ARG 51 CO -0.24 0.80 0.33 0.66 -1.07 0.00 0.00 179.97 180.45 1q85 h SER 52 N 1.01 0.49 -0.70 7.04 4.64 -0.75 0.68 113.55 125.97 1q85 h SER 52 Ca 0.25 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 1q85 h SER 52 Cb 0.10 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 1q85 h SER 52 CO -0.03 0.33 0.23 1.88 -0.87 0.00 0.00 176.83 178.36 1q85 h TYR 53 N 0.63 1.12 -0.20 4.77 0.99 -1.40 0.37 116.97 123.25 1q85 h TYR 53 Ca 0.26 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.88 1q85 h TYR 53 Cb 0.14 -0.33 -0.01 0.00 1.00 0.00 0.00 36.73 37.54 1q85 h TYR 53 CO -0.08 0.89 0.10 0.82 -0.00 0.00 0.00 178.16 179.89 1q85 h ILE 54 N 1.02 1.12 -0.31 -2.88 2.04 -1.12 -0.72 117.51 116.66 1q85 h ILE 54 Ca 0.23 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1q85 h ILE 54 Cb 0.29 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1q85 h ILE 54 CO -0.01 0.12 0.10 -0.08 0.00 0.00 0.00 178.15 178.28 1q85 h GLU 55 N 0.20 0.44 0.00 2.37 4.22 -0.67 -1.83 114.58 119.31 1q85 h GLU 55 Ca 0.07 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1q85 h GLU 55 Cb 0.09 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1q85 h GLU 55 CO -0.01 0.39 0.00 0.43 -2.18 0.00 0.00 179.01 177.64 1q85 n SER 56 N -4.39 0.00 0.00 1.04 7.64 0.10 -4.86 113.62 113.15 1q85 n SER 56 Ca 0.01 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1q85 n SER 56 Cb 0.15 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1q85 n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q85 n GLY 57 N 0.55 1.12 3.68 0.23 0.00 -0.69 -3.32 105.19 106.76 1q85 n GLY 57 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.66 1q85 n GLY 57 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q85 n SER 58 N 0.00 3.36 0.04 1.61 2.88 -0.35 -4.82 113.62 116.33 1q85 n SER 58 Ca 0.00 1.02 -0.02 0.00 -1.33 0.00 0.00 58.87 58.55 1q85 n SER 58 Cb 0.00 -1.42 -0.08 0.00 -0.75 0.00 0.00 64.21 61.96 1q85 n SER 58 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1q85 h ASP 59 N 7.62 0.00 -3.96 -3.46 3.32 -0.74 -3.43 116.42 115.77 1q85 h ASP 59 Ca -0.47 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.31 1q85 h ASP 59 Cb 1.26 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.53 1q85 h ASP 59 CO 0.92 0.67 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.69 1q85 s VAL 60 N -2.86 0.23 0.07 -1.35 1.01 -0.52 -2.76 120.40 114.22 1q85 s VAL 60 Ca -0.02 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1q85 s VAL 60 Cb 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 1q85 s VAL 60 CO 0.80 -0.01 -0.18 0.27 0.00 0.00 0.00 175.10 175.99 1q85 s ILE 61 N -0.24 1.44 0.00 2.22 -4.36 -1.06 -2.52 121.20 116.67 1q85 s ILE 61 Ca -0.01 -1.30 -0.02 0.00 -0.26 0.00 0.00 60.65 59.06 1q85 s ILE 61 Cb -0.02 -1.31 -0.04 0.00 1.25 0.00 0.00 42.46 42.34 1q85 s ILE 61 CO -0.00 -0.03 0.17 -0.76 0.24 0.00 0.00 174.94 174.56 1q85 s LEU 62 N -1.56 4.28 0.31 0.37 1.43 -1.26 -2.49 118.68 119.77 1q85 s LEU 62 Ca 0.04 0.30 -0.28 0.00 -1.03 0.00 0.00 54.13 53.15 1q85 s LEU 62 Cb -0.09 -2.59 -0.10 0.00 0.03 0.00 0.00 46.19 43.44 1q85 s LEU 62 CO 0.03 0.25 1.16 0.42 0.23 0.00 0.00 176.35 178.44 1q85 s THR 63 N -1.33 3.24 -0.85 5.49 -4.23 -0.53 -4.88 115.64 112.56 1q85 s THR 63 Ca 0.27 1.22 -0.15 0.00 -1.18 0.00 0.00 61.69 61.85 1q85 s THR 63 Cb -0.13 -3.76 -0.11 0.00 1.34 0.00 0.00 72.50 69.85 1q85 s THR 63 CO 0.19 0.26 2.00 -3.20 -0.54 0.00 0.00 174.62 173.34 1q85 n ASN 64 N 0.90 3.52 -0.49 3.99 4.05 -1.26 -4.16 115.26 121.81 1q85 n ASN 64 Ca 0.00 -2.53 0.00 0.00 0.45 0.00 0.00 54.58 52.50 1q85 n ASN 64 Cb 0.44 -1.12 0.01 0.00 1.23 0.00 0.00 39.78 40.34 1q85 n ASN 64 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1q85 n THR 65 N 5.24 0.07 -0.29 -0.44 -2.24 -1.26 -4.61 114.28 110.75 1q85 n THR 65 Ca 0.47 -0.10 0.08 0.00 -2.27 0.00 0.00 64.05 62.24 1q85 n THR 65 Cb 0.29 0.47 0.20 0.00 -2.10 0.00 0.00 70.33 69.20 1q85 n THR 65 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1q85 h PHE 66 N 0.01 -0.04 -0.52 4.78 3.04 -1.71 0.18 116.94 122.67 1q85 h PHE 66 Ca -0.00 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1q85 h PHE 66 Cb 1.39 0.15 0.00 0.00 2.56 0.00 0.00 35.95 40.05 1q85 h PHE 66 CO 0.10 -0.30 0.00 0.41 -2.02 0.00 0.00 178.31 176.50 1q85 n GLY 67 N -1.45 1.57 3.04 2.40 0.00 -1.26 -0.76 105.19 108.72 1q85 n GLY 67 Ca 0.17 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 1q85 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q85 n ALA 68 N 1.13 4.87 -2.46 4.61 0.00 0.62 -4.16 120.51 125.12 1q85 n ALA 68 Ca 0.19 -4.01 -0.10 0.00 0.00 0.00 0.00 53.44 49.52 1q85 n ALA 68 Cb 0.48 -3.38 -0.11 0.00 0.00 0.00 0.00 19.45 16.45 1q85 n ALA 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1q85 s THR 69 N 2.63 0.44 -0.83 0.00 -4.23 -1.26 -4.92 115.64 107.47 1q85 s THR 69 Ca 0.46 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1q85 s THR 69 Cb 0.09 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.80 1q85 s THR 69 CO -0.02 -0.72 0.00 -1.14 -0.54 0.00 0.00 174.62 172.20 1q85 n ARG 70 N 0.65 0.00 0.00 3.99 0.63 -1.26 -1.40 116.66 119.26 1q85 n ARG 70 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1q85 n ARG 70 Cb 0.58 -0.90 0.00 0.00 0.45 0.00 0.00 32.46 32.59 1q85 n ARG 70 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1q85 n LYS 72 N -0.04 0.00 0.22 -0.14 3.00 -1.26 -1.43 118.16 118.51 1q85 n LYS 72 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.39 1q85 n LYS 72 Cb 0.00 0.00 0.49 0.00 0.00 0.00 0.00 35.03 35.52 1q85 n LYS 72 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1q85 h LEU 73 N 0.00 0.00 -1.94 3.14 3.38 -1.39 -3.02 115.31 115.48 1q85 h LEU 73 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1q85 h LEU 73 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1q85 h LEU 73 CO 0.00 0.27 -0.09 -0.09 0.09 0.00 0.00 178.44 178.62 1q85 h ARG 74 N 0.00 0.00 -0.09 1.13 2.43 -1.48 -1.67 114.38 114.70 1q85 h ARG 74 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1q85 h ARG 74 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1q85 h ARG 74 CO 0.04 0.09 0.00 1.63 -1.51 0.00 0.00 179.97 180.21 1q85 n LYS 75 N -3.43 1.26 0.00 0.20 5.02 -1.14 -3.04 118.16 117.03 1q85 n LYS 75 Ca -0.01 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.88 1q85 n LYS 75 Cb 0.24 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1q85 n LYS 75 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1q85 n HIS 76 N -0.27 0.00 -3.05 2.13 8.25 -0.71 -5.03 115.22 116.55 1q85 n HIS 76 Ca 0.08 -0.02 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 1q85 n HIS 76 Cb 0.12 -0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.30 1q85 n HIS 76 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q85 n GLY 77 N -0.02 -0.24 0.09 -1.41 0.00 -0.95 -4.94 105.19 97.72 1q85 n GLY 77 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1q85 n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q85 n LEU 78 N -3.29 0.10 0.29 0.99 7.99 -0.73 -4.87 117.00 117.49 1q85 n LEU 78 Ca -0.20 -0.30 0.16 0.00 -0.01 0.00 0.00 56.01 55.66 1q85 n LEU 78 Cb 0.62 -0.00 0.92 0.00 -0.11 0.00 0.00 43.42 44.85 1q85 n LEU 78 CO 0.46 0.07 1.13 1.05 -1.51 0.00 0.00 177.39 178.59 1q85 h GLU 79 N 0.00 0.00 -0.00 3.23 4.11 -1.87 0.71 114.58 120.76 1q85 h GLU 79 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1q85 h GLU 79 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1q85 h GLU 79 CO 0.00 0.00 -0.01 -0.25 0.07 0.00 0.00 179.01 178.82 1q85 n ASP 80 N -3.82 0.26 -0.74 3.06 10.43 -1.26 -2.71 116.55 121.76 1q85 n ASP 80 Ca -0.03 -0.89 0.08 0.00 2.57 0.00 0.00 54.79 56.52 1q85 n ASP 80 Cb 0.10 -0.05 0.12 0.00 1.84 0.00 0.00 41.12 43.14 1q85 n ASP 80 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1q85 n LYS 81 N -0.88 1.82 -0.06 -1.24 4.76 0.24 -4.69 118.16 118.11 1q85 n LYS 81 Ca 0.21 -1.77 -0.09 0.00 -2.87 0.00 0.00 58.31 53.79 1q85 n LYS 81 Cb 0.18 -1.33 -0.07 0.00 -1.84 0.00 0.00 35.03 31.97 1q85 n LYS 81 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1q85 h LEU 82 N 3.03 -1.19 0.23 -0.35 5.85 -1.52 0.20 115.31 121.55 1q85 h LEU 82 Ca 0.00 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1q85 h LEU 82 Cb 0.73 0.48 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1q85 h LEU 82 CO 0.00 -0.28 -0.39 -0.78 -0.34 0.00 0.00 178.44 176.65 1q85 h ASP 83 N -0.30 -1.11 -0.81 1.25 1.82 -1.84 -0.75 116.42 114.68 1q85 h ASP 83 Ca 0.04 0.11 0.10 0.00 -0.39 0.00 0.00 57.03 56.89 1q85 h ASP 83 Cb 0.41 0.40 -0.07 0.00 0.68 0.00 0.00 39.33 40.74 1q85 h ASP 83 CO -0.36 -0.49 0.45 -0.65 -1.61 0.00 0.00 179.24 176.58 1q85 h PRO 84 N -0.69 0.73 0.50 0.28 0.11 -1.86 0.17 132.00 131.24 1q85 h PRO 84 Ca 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1q85 h PRO 84 Cb 0.68 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1q85 h PRO 84 CO -0.16 0.48 -0.37 0.82 -0.21 0.00 0.00 178.00 178.56 1q85 h ILE 85 N 0.75 0.25 -0.32 4.15 2.04 -0.54 -1.40 117.51 122.43 1q85 h ILE 85 Ca 0.39 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.24 1q85 h ILE 85 Cb 0.38 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1q85 h ILE 85 CO -0.26 0.00 0.13 0.58 0.00 0.00 0.00 178.15 178.61 1q85 h VAL 86 N -0.85 1.18 -0.27 1.67 2.07 -0.74 -2.20 116.25 117.10 1q85 h VAL 86 Ca -0.05 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1q85 h VAL 86 Cb 0.72 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1q85 h VAL 86 CO 0.01 0.19 0.15 0.03 0.02 0.00 0.00 177.57 177.97 1q85 h ARG 87 N 0.37 0.38 -0.59 1.57 3.08 -0.64 -2.43 114.38 116.12 1q85 h ARG 87 Ca 0.11 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1q85 h ARG 87 Cb 0.17 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1q85 h ARG 87 CO -0.01 0.34 0.32 -0.91 -1.07 0.00 0.00 179.97 178.64 1q85 h ASN 88 N 0.32 0.73 -0.42 7.04 -0.26 -1.27 -2.32 115.58 119.41 1q85 h ASN 88 Ca 0.09 -0.09 0.09 0.00 -0.56 0.00 0.00 56.30 55.83 1q85 h ASN 88 Cb 0.07 -0.19 -0.09 0.00 -1.06 0.00 0.00 38.32 37.05 1q85 h ASN 88 CO -0.01 0.61 -0.21 0.00 -1.06 0.00 0.00 177.43 176.76 1q85 h ALA 89 N 1.15 0.09 -0.05 -0.83 0.00 -1.08 0.49 119.26 119.03 1q85 h ALA 89 Ca 0.21 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1q85 h ALA 89 Cb 0.04 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1q85 h ALA 89 CO -0.03 -0.57 0.02 0.28 0.00 0.00 0.00 179.25 178.95 1q85 h VAL 90 N -0.13 1.10 -0.73 0.00 2.07 -1.31 -0.57 116.25 116.69 1q85 h VAL 90 Ca 0.20 -0.29 0.11 0.00 0.82 0.00 0.00 66.70 67.54 1q85 h VAL 90 Cb 0.44 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.35 1q85 h VAL 90 CO -0.50 0.08 0.35 0.03 0.02 0.00 0.00 177.57 177.55 1q85 h ARG 91 N -0.04 0.55 -0.34 1.57 3.08 -0.71 1.48 114.38 119.96 1q85 h ARG 91 Ca 0.02 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1q85 h ARG 91 Cb 0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1q85 h ARG 91 CO -0.00 0.36 0.07 0.82 -1.07 0.00 0.00 179.97 180.15 1q85 h ILE 92 N 0.56 1.23 -0.26 2.04 2.04 0.14 0.04 117.51 123.30 1q85 h ILE 92 Ca 0.37 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 1q85 h ILE 92 Cb 0.45 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1q85 h ILE 92 CO -0.31 0.27 0.06 0.00 0.00 0.00 0.00 178.15 178.17 1q85 h ALA 93 N 0.91 0.35 0.06 1.87 0.00 0.16 -1.09 119.26 121.53 1q85 h ALA 93 Ca 0.11 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1q85 h ALA 93 Cb 0.33 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1q85 h ALA 93 CO 0.00 0.01 -0.26 0.00 0.00 0.00 0.00 179.25 179.01 1q85 h ARG 94 N 0.26 -0.42 -0.88 0.00 2.47 0.22 0.78 114.38 116.81 1q85 h ARG 94 Ca 0.08 0.03 0.13 0.00 -1.26 0.00 0.00 59.98 58.96 1q85 h ARG 94 Cb 0.29 0.09 -0.09 0.00 -1.65 0.00 0.00 29.97 28.62 1q85 h ARG 94 CO 0.00 -0.28 0.49 -0.09 0.56 0.00 0.00 179.97 180.65 1q85 h ARG 95 N -0.43 0.72 0.02 0.04 2.43 -0.82 -1.77 114.38 114.56 1q85 h ARG 95 Ca 0.05 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 1q85 h ARG 95 Cb 0.49 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1q85 h ARG 95 CO -0.19 0.47 -0.93 0.00 -1.51 0.00 0.00 179.97 177.82 1q85 h ALA 96 N 1.53 0.47 -0.64 2.80 0.00 -0.42 -3.33 119.26 119.67 1q85 h ALA 96 Ca 0.46 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1q85 h ALA 96 Cb 0.56 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1q85 h ALA 96 CO -0.31 1.02 0.36 0.00 0.00 0.00 0.00 179.25 180.31 1q85 h ALA 97 N 0.99 1.42 -0.60 0.00 0.00 0.15 -3.45 119.26 117.77 1q85 h ALA 97 Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1q85 h ALA 97 Cb 1.59 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1q85 h ALA 97 CO 0.13 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1q85 n GLY 98 N -1.26 2.95 0.04 0.00 0.00 -1.14 -1.11 105.19 104.65 1q85 n GLY 98 Ca 0.06 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1q85 n GLY 98 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q85 n GLU 99 N 9.42 0.48 -0.71 1.61 1.02 -1.26 -4.97 120.64 126.24 1q85 n GLU 99 Ca 0.00 -0.06 -0.32 0.00 -0.02 0.00 0.00 57.16 56.76 1q85 n GLU 99 Cb 0.00 -1.60 0.16 0.00 -0.02 0.00 0.00 31.44 29.97 1q85 n GLU 99 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1q85 n LYS 100 N -2.19 -0.83 -2.83 3.49 4.01 -0.27 -4.96 118.16 114.58 1q85 n LYS 100 Ca -0.01 -0.20 -0.34 0.00 -0.51 0.00 0.00 58.31 57.26 1q85 n LYS 100 Cb 0.51 -1.99 -0.07 0.00 -0.51 0.00 0.00 35.03 32.97 1q85 n LYS 100 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1q85 s LEU 101 N -3.15 4.01 -0.12 -0.35 1.43 -1.11 -4.88 118.68 114.51 1q85 s LEU 101 Ca 0.60 1.70 -0.00 0.00 -1.03 0.00 0.00 54.13 55.40 1q85 s LEU 101 Cb -0.20 -4.43 0.02 0.00 0.03 0.00 0.00 46.19 41.61 1q85 s LEU 101 CO 0.65 -0.31 -0.09 -0.69 0.23 0.00 0.00 176.35 176.14 1q85 s VAL 102 N -2.08 1.15 -0.10 -1.59 1.01 -1.26 -2.57 120.40 114.96 1q85 s VAL 102 Ca 0.60 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1q85 s VAL 102 Cb -0.11 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1q85 s VAL 102 CO 0.15 0.38 -0.06 -0.36 0.00 0.00 0.00 175.10 175.21 1q85 s PHE 103 N 1.66 2.97 -0.16 5.22 0.40 -1.04 -0.24 117.98 126.79 1q85 s PHE 103 Ca 0.05 -0.13 -0.29 0.00 -0.60 0.00 0.00 56.93 55.95 1q85 s PHE 103 Cb -0.13 -1.81 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 1q85 s PHE 103 CO -0.09 0.17 1.37 0.20 0.70 0.00 0.00 175.22 177.57 1q85 s GLY 104 N -0.32 1.57 -0.29 4.36 0.00 0.77 -1.45 107.32 111.95 1q85 s GLY 104 Ca 0.05 0.53 -0.16 0.00 0.00 0.00 0.00 44.72 45.14 1q85 s GLY 104 CO 0.02 2.65 0.42 -0.35 0.00 0.00 0.00 173.10 175.84 1q85 s ASP 105 N 2.47 6.28 -0.09 1.64 2.15 -1.26 -1.08 116.67 126.79 1q85 s ASP 105 Ca 0.60 0.23 0.02 0.00 0.43 0.00 0.00 52.55 53.83 1q85 s ASP 105 Cb -0.24 -2.23 0.01 0.00 -0.30 0.00 0.00 42.92 40.16 1q85 s ASP 105 CO 0.19 -0.26 -0.16 -0.63 -0.17 0.00 0.00 175.17 174.15 1q85 s ILE 106 N 2.15 1.46 0.41 4.11 1.01 -0.33 -3.30 121.20 126.71 1q85 s ILE 106 Ca 0.16 -0.64 0.08 0.00 0.00 0.00 0.00 60.65 60.24 1q85 s ILE 106 Cb -0.16 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 1q85 s ILE 106 CO 0.10 0.43 0.34 -0.83 0.00 0.00 0.00 174.94 174.98 1q85 s GLY 107 N 0.76 2.17 1.05 6.18 0.00 0.06 -1.22 107.32 116.32 1q85 s GLY 107 Ca -0.12 -1.93 -0.12 0.00 0.00 0.00 0.00 44.72 42.56 1q85 s GLY 107 CO 0.02 -1.74 1.07 2.56 0.00 0.00 0.00 173.10 175.02 1q85 s PRO 108 N -4.08 -0.01 0.19 2.90 0.04 -1.25 -4.90 135.00 127.89 1q85 s PRO 108 Ca 0.46 0.97 0.17 0.00 0.04 0.00 0.00 61.00 62.64 1q85 s PRO 108 Cb -0.02 -1.65 -0.02 0.00 0.04 0.00 0.00 34.50 32.85 1q85 s PRO 108 CO 0.27 -3.15 1.16 1.79 0.04 0.00 0.00 177.00 177.11 1q85 h THR 109 N -2.21 0.62 0.00 1.26 1.35 -1.96 -3.48 112.91 108.48 1q85 h THR 109 Ca -0.55 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.32 1q85 h THR 109 Cb 1.31 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1q85 h THR 109 CO 0.50 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.73 1q85 n GLY 110 N 1.29 0.40 3.65 5.82 0.00 -1.26 -4.42 105.19 110.67 1q85 n GLY 110 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1q85 n GLY 110 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q85 s GLU 111 N -0.95 3.09 0.30 1.61 0.41 -1.26 -5.12 118.70 116.78 1q85 s GLU 111 Ca 0.00 -0.43 -0.12 0.00 -0.41 0.00 0.00 54.97 54.01 1q85 s GLU 111 Cb 0.00 -2.81 -0.08 0.00 -1.78 0.00 0.00 34.13 29.47 1q85 s GLU 111 CO 0.00 0.63 0.66 -0.51 -0.49 0.00 0.00 175.26 175.55 1q85 s LEU 112 N -0.67 4.06 0.87 1.80 1.43 -1.26 -5.03 118.68 119.87 1q85 s LEU 112 Ca 0.11 1.09 -0.11 0.00 -1.03 0.00 0.00 54.13 54.18 1q85 s LEU 112 Cb -0.12 -3.89 0.11 0.00 0.03 0.00 0.00 46.19 42.32 1q85 s LEU 112 CO 0.02 -0.19 1.09 -2.84 0.23 0.00 0.00 176.35 174.66 1q85 s PRO 113 N -3.12 1.50 0.25 1.29 0.02 -1.26 -3.61 135.00 130.06 1q85 s PRO 113 Ca 0.51 1.02 -0.28 0.00 0.02 0.00 0.00 61.00 62.27 1q85 s PRO 113 Cb -0.11 -1.82 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 1q85 s PRO 113 CO 0.22 -2.13 0.90 -0.47 -0.33 0.00 0.00 177.00 175.19 1q85 s TYR 114 N -2.87 3.88 -1.59 6.54 5.04 -0.29 0.34 117.35 128.40 1q85 s TYR 114 Ca 0.63 1.81 0.29 0.00 -2.44 0.00 0.00 57.07 57.36 1q85 s TYR 114 Cb -0.18 -2.91 1.26 0.00 0.35 0.00 0.00 41.96 40.47 1q85 s TYR 114 CO 0.57 0.40 1.88 -0.35 -1.34 0.00 0.00 175.55 176.71 1q85 n PRO 115 N 1.23 0.62 0.00 4.97 -0.04 -1.26 -4.49 135.00 136.03 1q85 n PRO 115 Ca -0.02 -0.19 0.03 0.00 -0.04 0.00 0.00 63.50 63.29 1q85 n PRO 115 Cb 0.48 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.63 1q85 n PRO 115 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1q85 n LEU 116 N -1.03 0.00 0.00 1.53 4.77 -0.13 -4.72 117.00 117.42 1q85 n LEU 116 Ca 0.14 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1q85 n LEU 116 Cb 0.27 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1q85 n LEU 116 CO 0.24 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1q85 n GLY 117 N -0.66 2.98 0.00 -0.72 0.00 0.15 -4.74 105.19 102.20 1q85 n GLY 117 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1q85 n GLY 117 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q85 n SER 118 N 0.00 0.48 -4.68 1.61 2.88 -1.25 -4.24 113.62 108.43 1q85 n SER 118 Ca 0.00 -1.18 -0.41 0.00 -1.33 0.00 0.00 58.87 55.95 1q85 n SER 118 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1q85 n SER 118 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1q85 s THR 119 N -0.18 4.94 0.44 2.46 2.01 -1.24 -4.75 115.64 119.32 1q85 s THR 119 Ca 0.00 1.50 -0.02 0.00 0.31 0.00 0.00 61.69 63.48 1q85 s THR 119 Cb 0.00 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 1q85 s THR 119 CO 0.00 0.09 0.68 -0.76 -0.69 0.00 0.00 174.62 173.94 1q85 s LEU 120 N 1.84 3.73 0.25 4.42 1.43 -1.26 -1.14 118.68 127.95 1q85 s LEU 120 Ca 0.36 0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 53.97 1q85 s LEU 120 Cb -0.17 -3.43 0.48 0.00 0.03 0.00 0.00 46.19 43.10 1q85 s LEU 120 CO 0.13 -0.56 1.73 0.15 0.23 0.00 0.00 176.35 178.03 1q85 h PHE 121 N 0.42 0.55 -0.16 0.29 3.57 -1.95 -2.18 116.94 117.48 1q85 h PHE 121 Ca -0.47 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.11 1q85 h PHE 121 Cb 1.23 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.78 1q85 h PHE 121 CO 0.51 0.07 -0.23 1.49 -2.23 0.00 0.00 178.31 177.91 1q85 h GLU 122 N 0.46 -0.27 -0.28 1.11 4.57 -1.98 -1.32 114.58 116.88 1q85 h GLU 122 Ca 0.43 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.68 1q85 h GLU 122 Cb 0.66 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.26 1q85 h GLU 122 CO -0.41 -0.18 -0.02 1.49 -1.18 0.00 0.00 179.01 178.71 1q85 h GLU 123 N -0.28 0.06 -1.00 1.92 4.81 -1.79 -0.92 114.58 117.38 1q85 h GLU 123 Ca 0.11 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.43 1q85 h GLU 123 Cb 0.45 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.74 1q85 h GLU 123 CO -0.32 0.04 0.64 0.74 -0.73 0.00 0.00 179.01 179.37 1q85 h PHE 124 N 0.06 1.16 0.69 0.92 0.05 -1.32 -1.89 116.94 116.61 1q85 h PHE 124 Ca 0.13 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.93 1q85 h PHE 124 Cb 0.18 -0.37 -0.01 0.00 2.00 0.00 0.00 35.95 37.75 1q85 h PHE 124 CO -0.23 0.53 -0.50 -0.92 -0.18 0.00 0.00 178.31 177.02 1q85 h TYR 125 N 1.07 -1.35 -0.12 -0.55 3.20 -0.01 -2.13 116.97 117.08 1q85 h TYR 125 Ca 0.46 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.31 1q85 h TYR 125 Cb 0.33 0.50 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 1q85 h TYR 125 CO -0.00 -0.71 -0.02 0.93 -1.64 0.00 0.00 178.16 176.71 1q85 h GLU 126 N -1.14 0.16 0.23 1.82 5.08 -1.27 -0.85 114.58 118.61 1q85 h GLU 126 Ca -0.09 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1q85 h GLU 126 Cb 0.94 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1q85 h GLU 126 CO 0.04 0.20 -0.11 -0.97 -1.00 0.00 0.00 179.01 177.18 1q85 h ASN 127 N 0.16 -0.26 -0.02 1.42 -1.24 -1.09 -2.69 115.58 111.86 1q85 h ASN 127 Ca 0.04 -0.02 -0.17 0.00 0.71 0.00 0.00 56.30 56.86 1q85 h ASN 127 Cb 0.15 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.27 1q85 h ASN 127 CO 0.00 -0.15 -0.57 -0.26 -1.29 0.00 0.00 177.43 175.17 1q85 h PHE 128 N -0.35 0.78 0.14 0.67 0.04 -1.13 -3.28 116.94 113.82 1q85 h PHE 128 Ca -0.03 -0.28 0.01 0.00 2.80 0.00 0.00 57.97 60.46 1q85 h PHE 128 Cb 0.27 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 1q85 h PHE 128 CO -0.05 1.04 -0.46 -0.09 -0.60 0.00 0.00 178.31 178.15 1q85 h ARG 129 N 0.47 -0.66 -0.81 1.51 2.43 -1.04 -1.26 114.38 115.02 1q85 h ARG 129 Ca 0.01 0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.39 1q85 h ARG 129 Cb 1.13 0.15 -0.15 0.00 -0.42 0.00 0.00 29.97 30.68 1q85 h ARG 129 CO 0.11 -0.44 -0.13 1.49 -1.51 0.00 0.00 179.97 179.50 1q85 h GLU 130 N -0.68 0.03 -0.55 0.20 4.81 -1.57 -0.58 114.58 116.23 1q85 h GLU 130 Ca -0.01 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1q85 h GLU 130 Cb 0.67 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1q85 h GLU 130 CO -0.23 0.02 -0.01 1.15 -0.73 0.00 0.00 179.01 179.21 1q85 h THR 131 N 0.03 1.26 -0.23 0.32 2.02 -1.51 -2.97 112.91 111.83 1q85 h THR 131 Ca 0.41 -1.12 -0.05 0.00 0.77 0.00 0.00 66.41 66.42 1q85 h THR 131 Cb 0.69 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1q85 h THR 131 CO -0.80 0.40 -0.06 0.58 0.37 0.00 0.00 175.52 176.02 1q85 h VAL 132 N 0.86 1.18 -0.71 3.16 2.07 0.04 -2.60 116.25 120.24 1q85 h VAL 132 Ca 0.16 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 1q85 h VAL 132 Cb 0.55 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1q85 h VAL 132 CO 0.03 0.24 0.28 -0.33 0.02 0.00 0.00 177.57 177.81 1q85 h GLU 133 N 0.35 1.06 -0.44 1.57 5.08 -1.11 -0.40 114.58 120.68 1q85 h GLU 133 Ca 0.07 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1q85 h GLU 133 Cb 0.33 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1q85 h GLU 133 CO 0.01 0.87 0.00 -0.89 -1.00 0.00 0.00 179.01 178.01 1q85 n ILE 134 N -4.36 0.02 0.00 3.13 5.41 -0.98 -0.30 119.36 122.28 1q85 n ILE 134 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1q85 n ILE 134 Cb 0.18 -0.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 1q85 n ILE 134 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1q85 n VAL 136 N 0.54 0.00 -0.34 1.39 0.31 -0.16 -1.09 118.33 118.98 1q85 n VAL 136 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 1q85 n VAL 136 Cb 0.03 0.00 0.24 0.00 -0.91 0.00 0.00 33.84 33.20 1q85 n VAL 136 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1q85 h GLU 137 N 0.00 0.82 0.00 5.55 5.08 -0.90 0.29 114.58 125.43 1q85 h GLU 137 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1q85 h GLU 137 Cb 0.00 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1q85 h GLU 137 CO 0.00 0.54 0.00 0.39 -1.00 0.00 0.00 179.01 178.94 1q85 n GLU 138 N -4.72 0.08 -1.22 2.33 -0.58 -0.25 -4.97 120.64 111.32 1q85 n GLU 138 Ca 0.18 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1q85 n GLU 138 Cb 0.40 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1q85 n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1q85 n GLY 139 N 1.31 -0.33 3.82 0.62 0.00 0.10 -4.92 105.19 105.79 1q85 n GLY 139 Ca 0.08 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1q85 n GLY 139 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q85 s VAL 140 N -1.36 4.88 -2.04 1.61 -7.23 -1.26 -4.98 120.40 110.01 1q85 s VAL 140 Ca 0.00 -0.47 0.18 0.00 -1.81 0.00 0.00 61.98 59.88 1q85 s VAL 140 Cb 0.00 -3.30 0.49 0.00 0.56 0.00 0.00 36.38 34.14 1q85 s VAL 140 CO 0.00 0.25 1.66 0.47 -0.31 0.00 0.00 175.10 177.17 1q85 n ASP 141 N 0.81 0.26 0.00 4.85 10.43 0.67 -4.54 116.55 129.03 1q85 n ASP 141 Ca -0.10 -1.49 0.00 0.00 2.57 0.00 0.00 54.79 55.77 1q85 n ASP 141 Cb 0.52 -0.02 0.00 0.00 1.84 0.00 0.00 41.12 43.46 1q85 n ASP 141 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1q85 n GLY 142 N 0.83 1.74 2.96 0.44 0.00 -1.23 -4.40 105.19 105.53 1q85 n GLY 142 Ca 0.14 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.88 1q85 n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q85 s ILE 143 N -2.00 0.63 -0.08 -0.61 1.01 0.42 -0.17 121.20 120.41 1q85 s ILE 143 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.43 1q85 s ILE 143 Cb 0.00 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.88 1q85 s ILE 143 CO 0.00 0.22 -0.20 -0.51 0.00 0.00 0.00 174.94 174.45 1q85 s ILE 144 N 0.40 1.72 -0.59 2.92 2.07 -0.24 -0.23 121.20 127.25 1q85 s ILE 144 Ca -0.06 -0.82 -0.13 0.00 -1.41 0.00 0.00 60.65 58.23 1q85 s ILE 144 Cb -0.10 -1.50 0.15 0.00 0.13 0.00 0.00 42.46 41.14 1q85 s ILE 144 CO 0.00 0.48 0.51 -0.36 -1.91 0.00 0.00 174.94 173.67 1q85 s PHE 145 N 0.41 3.42 0.36 3.50 0.40 -0.22 -1.19 117.98 124.66 1q85 s PHE 145 Ca -0.16 -1.68 -0.08 0.00 -0.60 0.00 0.00 56.93 54.40 1q85 s PHE 145 Cb -0.17 -3.69 -0.06 0.00 0.51 0.00 0.00 43.02 39.61 1q85 s PHE 145 CO 0.07 -1.00 0.69 -1.21 0.70 0.00 0.00 175.22 174.47 1q85 s GLU 146 N 1.13 3.72 -1.40 0.44 2.02 -0.35 -0.79 118.70 123.46 1q85 s GLU 146 Ca 0.08 0.29 -0.02 0.00 0.02 0.00 0.00 54.97 55.33 1q85 s GLU 146 Cb -0.24 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.50 1q85 s GLU 146 CO -0.01 0.05 0.39 2.41 0.02 0.00 0.00 175.26 178.12 1q85 n THR 147 N -1.19 -2.94 -3.44 3.63 -1.04 -1.26 -3.92 114.28 104.13 1q85 n THR 147 Ca 0.01 -0.53 -0.37 0.00 -2.04 0.00 0.00 64.05 61.12 1q85 n THR 147 Cb 0.54 -2.51 -0.06 0.00 -1.82 0.00 0.00 70.33 66.48 1q85 n THR 147 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1q85 s PHE 148 N -3.98 3.69 -0.28 -1.42 0.40 -1.21 -4.41 117.98 110.78 1q85 s PHE 148 Ca 0.04 1.02 0.08 0.00 -0.60 0.00 0.00 56.93 57.48 1q85 s PHE 148 Cb -0.02 -2.32 -0.10 0.00 0.51 0.00 0.00 43.02 41.09 1q85 s PHE 148 CO 0.91 0.56 0.30 -1.13 0.70 0.00 0.00 175.22 176.55 1q85 n SER 149 N 1.40 1.15 -4.15 1.36 3.41 -1.26 -0.44 113.62 115.09 1q85 n SER 149 Ca -0.10 -0.50 -0.26 0.00 -0.26 0.00 0.00 58.87 57.75 1q85 n SER 149 Cb 0.52 1.11 -0.16 0.00 -0.26 0.00 0.00 64.21 65.42 1q85 n SER 149 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1q85 s ASP 150 N -2.10 2.18 0.29 4.04 2.15 -1.26 -3.08 116.67 118.88 1q85 s ASP 150 Ca 0.01 -0.35 0.08 0.00 0.43 0.00 0.00 52.55 52.72 1q85 s ASP 150 Cb 0.06 -0.51 0.42 0.00 -0.30 0.00 0.00 42.92 42.59 1q85 s ASP 150 CO 0.33 0.17 1.66 0.16 -0.17 0.00 0.00 175.17 177.33 1q85 h ILE 151 N 5.09 1.35 -0.20 4.11 -0.00 -1.94 -1.72 117.51 124.20 1q85 h ILE 151 Ca -0.34 -1.72 -0.08 0.00 -0.00 0.00 0.00 64.86 62.72 1q85 h ILE 151 Cb 1.17 1.86 -0.00 0.00 -0.00 0.00 0.00 36.82 39.84 1q85 h ILE 151 CO 0.48 0.51 -0.17 0.25 -0.00 0.00 0.00 178.15 179.22 1q85 h LEU 152 N 0.13 0.50 -0.61 0.16 5.85 -1.94 -0.37 115.31 119.03 1q85 h LEU 152 Ca 0.00 -0.46 -0.09 0.00 0.84 0.00 0.00 57.88 58.17 1q85 h LEU 152 Cb 0.92 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1q85 h LEU 152 CO 0.07 0.85 0.01 -0.08 -0.34 0.00 0.00 178.44 178.95 1q85 h GLU 153 N 0.15 1.06 0.00 1.25 4.81 -1.97 -0.86 114.58 119.03 1q85 h GLU 153 Ca 0.04 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 58.87 1q85 h GLU 153 Cb 0.70 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1q85 h GLU 153 CO 0.04 1.04 -0.28 1.25 -0.73 0.00 0.00 179.01 180.33 1q85 h LEU 154 N 0.96 0.00 -0.04 1.64 5.85 -1.27 -1.51 115.31 120.94 1q85 h LEU 154 Ca 0.17 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1q85 h LEU 154 Cb 0.55 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1q85 h LEU 154 CO 0.03 0.28 -0.02 0.50 -0.34 0.00 0.00 178.44 178.89 1q85 h LYS 155 N 0.00 0.09 -0.72 1.25 3.64 -0.32 -1.80 116.57 118.71 1q85 h LYS 155 Ca -0.00 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1q85 h LYS 155 Cb 0.61 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 1q85 h LYS 155 CO 0.04 0.47 0.48 0.00 -2.27 0.00 0.00 179.45 178.16 1q85 h ALA 156 N 0.62 0.92 0.33 5.00 0.00 -0.95 -1.53 119.26 123.65 1q85 h ALA 156 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1q85 h ALA 156 Cb 0.44 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1q85 h ALA 156 CO 0.01 0.34 -0.33 0.00 0.00 0.00 0.00 179.25 179.27 1q85 h ALA 157 N 1.26 -0.70 -0.64 0.00 0.00 -1.17 -0.20 119.26 117.82 1q85 h ALA 157 Ca 0.26 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1q85 h ALA 157 Cb -0.11 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1q85 h ALA 157 CO -0.06 -0.93 0.14 -0.39 0.00 0.00 0.00 179.25 178.02 1q85 h VAL 158 N -0.68 1.25 -0.05 0.00 -1.51 -1.18 -1.23 116.25 112.84 1q85 h VAL 158 Ca -0.02 -0.94 -0.11 0.00 -1.23 0.00 0.00 66.70 64.40 1q85 h VAL 158 Cb 0.62 0.61 -0.01 0.00 -2.13 0.00 0.00 31.29 30.38 1q85 h VAL 158 CO -0.06 0.36 -0.45 0.25 -1.23 0.00 0.00 177.57 176.43 1q85 h LEU 159 N 0.97 0.13 -0.04 4.19 7.12 -1.18 -1.13 115.31 125.36 1q85 h LEU 159 Ca 0.20 -0.06 -0.03 0.00 0.13 0.00 0.00 57.88 58.12 1q85 h LEU 159 Cb 0.36 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.46 1q85 h LEU 159 CO 0.00 0.57 -0.09 0.00 -0.13 0.00 0.00 178.44 178.79 1q85 h ALA 160 N 1.44 0.07 -0.85 1.25 0.00 -0.67 -2.52 119.26 117.98 1q85 h ALA 160 Ca 0.01 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1q85 h ALA 160 Cb 0.84 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1q85 h ALA 160 CO 0.06 -0.07 0.56 0.00 0.00 0.00 0.00 179.25 179.80 1q85 h ALA 161 N 0.46 1.09 0.00 0.00 0.00 -1.12 -2.45 119.26 117.25 1q85 h ALA 161 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1q85 h ALA 161 Cb 0.68 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1q85 h ALA 161 CO 0.02 0.45 -0.34 -0.09 0.00 0.00 0.00 179.25 179.28 1q85 h ARG 162 N 1.12 0.00 0.00 0.00 9.65 -1.24 -2.39 114.38 121.52 1q85 h ARG 162 Ca 0.32 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.20 1q85 h ARG 162 Cb -0.08 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.50 1q85 h ARG 162 CO -0.08 0.34 0.00 -1.91 2.80 0.00 0.00 179.97 181.12 1q85 n GLU 163 N -3.63 0.21 -0.04 0.20 0.00 -0.94 -3.27 120.64 113.17 1q85 n GLU 163 Ca -0.01 0.23 -0.21 0.00 0.00 0.00 0.00 57.16 57.17 1q85 n GLU 163 Cb 0.46 -1.77 -0.13 0.00 0.00 0.00 0.00 31.44 30.00 1q85 n GLU 163 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1q85 h VAL 164 N 0.00 0.98 -2.73 6.31 2.07 -1.20 -3.48 116.25 118.20 1q85 h VAL 164 Ca 0.00 -2.30 -0.12 0.00 0.82 0.00 0.00 66.70 65.10 1q85 h VAL 164 Cb 0.63 2.54 -0.25 0.00 -1.52 0.00 0.00 31.29 32.69 1q85 h VAL 164 CO 0.00 0.58 -0.27 -0.55 0.02 0.00 0.00 177.57 177.35 1q85 s SER 165 N -6.90 -0.45 0.00 0.57 0.15 -0.98 -5.01 113.70 101.07 1q85 s SER 165 Ca -0.24 0.83 0.24 0.00 0.70 0.00 0.00 55.95 57.49 1q85 s SER 165 Cb 0.05 0.79 0.53 0.00 -1.71 0.00 0.00 66.02 65.67 1q85 s SER 165 CO 0.69 -0.16 1.45 0.54 1.20 0.00 0.00 173.24 176.96 1q85 n ARG 166 N 3.43 2.12 -0.00 5.44 1.74 -1.25 -4.06 116.66 124.07 1q85 n ARG 166 Ca -0.17 -1.65 0.08 0.00 -0.77 0.00 0.00 57.85 55.33 1q85 n ARG 166 Cb 0.56 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.43 1q85 n ARG 166 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1q85 n ASP 167 N 0.95 0.93 -4.73 0.55 8.00 -1.26 -4.92 116.55 116.08 1q85 n ASP 167 Ca 0.17 -0.53 -0.41 0.00 0.71 0.00 0.00 54.79 54.72 1q85 n ASP 167 Cb 0.50 1.30 -0.03 0.00 -0.02 0.00 0.00 41.12 42.87 1q85 n ASP 167 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1q85 s VAL 168 N -2.77 4.02 -0.34 2.53 0.11 -1.26 0.80 120.40 123.50 1q85 s VAL 168 Ca 0.01 1.58 -0.29 0.00 -2.93 0.00 0.00 61.98 60.36 1q85 s VAL 168 Cb 0.12 -4.01 0.00 0.00 -1.53 0.00 0.00 36.38 30.96 1q85 s VAL 168 CO 0.67 0.20 1.35 0.12 -3.33 0.00 0.00 175.10 174.11 1q85 s PHE 169 N 0.40 2.57 -0.19 1.54 5.36 -1.26 -4.70 117.98 121.69 1q85 s PHE 169 Ca 0.53 0.79 -0.07 0.00 -0.96 0.00 0.00 56.93 57.22 1q85 s PHE 169 Cb -0.29 -4.05 -0.04 0.00 -0.34 0.00 0.00 43.02 38.30 1q85 s PHE 169 CO 0.32 -1.84 0.07 -0.51 -1.46 0.00 0.00 175.22 171.79 1q85 s LEU 170 N 4.75 3.78 -0.15 6.12 1.43 -1.26 -0.43 118.68 132.93 1q85 s LEU 170 Ca 0.58 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.73 1q85 s LEU 170 Cb -0.16 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 1q85 s LEU 170 CO 0.27 0.15 -0.12 -0.63 0.23 0.00 0.00 176.35 176.24 1q85 s ILE 171 N 0.52 3.03 -0.16 -0.59 1.01 0.68 -0.85 121.20 124.84 1q85 s ILE 171 Ca 0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 1q85 s ILE 171 Cb -0.13 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 1q85 s ILE 171 CO 0.01 0.51 -0.10 0.00 0.00 0.00 0.00 174.94 175.36 1q85 s ALA 172 N 0.56 2.70 0.22 9.38 0.00 -0.05 -1.06 121.76 133.51 1q85 s ALA 172 Ca -0.08 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1q85 s ALA 172 Cb -0.16 -1.36 -0.00 0.00 0.00 0.00 0.00 23.12 21.60 1q85 s ALA 172 CO 0.03 0.06 0.00 0.72 0.00 0.00 0.00 175.76 176.58 1q85 n HIS 173 N 3.86 0.50 -3.72 0.00 8.25 0.03 -1.12 115.22 123.02 1q85 n HIS 173 Ca -0.18 -1.08 -0.12 0.00 -0.26 0.00 0.00 57.72 56.07 1q85 n HIS 173 Cb 0.52 -0.14 -0.11 0.00 1.12 0.00 0.00 29.99 31.38 1q85 n HIS 173 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1q85 s THR 175 N -1.80 -0.01 0.30 1.59 -1.32 0.42 -3.30 115.64 111.51 1q85 s THR 175 Ca 0.00 0.04 0.11 0.00 -1.21 0.00 0.00 61.69 60.63 1q85 s THR 175 Cb 0.00 -0.56 -0.05 0.00 -1.51 0.00 0.00 72.50 70.38 1q85 s THR 175 CO 0.00 0.02 -0.13 -0.36 -2.21 0.00 0.00 174.62 171.94 1q85 s PHE 176 N 0.67 2.40 0.39 9.09 0.40 -1.26 -4.37 117.98 125.29 1q85 s PHE 176 Ca -0.04 -0.37 -0.03 0.00 -0.60 0.00 0.00 56.93 55.90 1q85 s PHE 176 Cb -0.05 -1.16 0.08 0.00 0.51 0.00 0.00 43.02 42.40 1q85 s PHE 176 CO -0.05 0.65 0.53 -0.40 0.70 0.00 0.00 175.22 176.65 1q85 n ASP 177 N -0.73 0.42 0.29 1.36 5.68 -0.18 -4.62 116.55 118.77 1q85 n ASP 177 Ca -0.05 -1.42 0.19 0.00 -0.50 0.00 0.00 54.79 53.00 1q85 n ASP 177 Cb 0.61 -0.37 0.82 0.00 -1.14 0.00 0.00 41.12 41.04 1q85 n ASP 177 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1q85 h GLU 178 N 0.00 0.00 -0.00 0.11 9.09 -1.92 0.17 114.58 122.03 1q85 h GLU 178 Ca -0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.24 1q85 h GLU 178 Cb 0.57 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 1q85 h GLU 178 CO 0.16 0.00 -0.11 1.63 0.05 0.00 0.00 179.01 180.74 1q85 n LYS 179 N -3.03 0.24 -2.23 1.06 5.02 -1.26 -4.91 118.16 113.04 1q85 n LYS 179 Ca -0.00 -0.05 -0.01 0.00 -2.02 0.00 0.00 58.31 56.22 1q85 n LYS 179 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1q85 n LYS 179 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q85 n GLY 180 N 1.41 0.56 3.09 0.72 0.00 0.05 -5.06 105.19 105.96 1q85 n GLY 180 Ca 0.10 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 1q85 n GLY 180 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q85 s ARG 181 N -4.46 0.65 0.81 1.61 0.52 -1.26 -4.11 118.95 112.71 1q85 s ARG 181 Ca 0.01 -0.76 -0.11 0.00 -0.52 0.00 0.00 55.73 54.35 1q85 s ARG 181 Cb -0.00 -0.53 0.09 0.00 0.52 0.00 0.00 34.95 35.02 1q85 s ARG 181 CO 0.01 0.12 1.17 -1.54 0.02 0.00 0.00 175.30 175.07 1q85 s SER 182 N -1.43 4.44 0.46 0.23 1.04 -0.14 -1.01 113.70 117.29 1q85 s SER 182 Ca -0.05 0.68 0.21 0.00 0.48 0.00 0.00 55.95 57.27 1q85 s SER 182 Cb -0.09 -1.16 1.20 0.00 0.10 0.00 0.00 66.02 66.07 1q85 s SER 182 CO 0.01 -1.93 1.90 0.25 0.98 0.00 0.00 173.24 174.45 1q85 h LEU 183 N -1.03 0.26 -3.10 2.42 5.85 -1.78 -0.80 115.31 117.11 1q85 h LEU 183 Ca -0.46 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1q85 h LEU 183 Cb 1.32 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1q85 h LEU 183 CO 0.63 0.11 0.00 0.35 -0.34 0.00 0.00 178.44 179.19 1q85 n THR 184 N -4.43 1.76 -0.06 1.05 -2.24 -1.23 -4.96 114.28 104.17 1q85 n THR 184 Ca 0.16 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 1q85 n THR 184 Cb 0.70 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1q85 n THR 184 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q85 n GLY 185 N 1.14 0.56 3.71 3.38 0.00 -0.31 -3.83 105.19 109.84 1q85 n GLY 185 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1q85 n GLY 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q85 s THR 186 N -2.10 4.68 0.37 2.61 2.01 -0.55 -4.28 115.64 118.37 1q85 s THR 186 Ca 0.00 1.93 0.07 0.00 0.31 0.00 0.00 61.69 64.00 1q85 s THR 186 Cb 0.00 -4.23 -0.00 0.00 0.01 0.00 0.00 72.50 68.27 1q85 s THR 186 CO 0.00 0.14 0.49 1.51 -0.69 0.00 0.00 174.62 176.08 1q85 s ASP 187 N 1.03 5.81 0.20 3.53 -4.77 -1.26 -0.96 116.67 120.25 1q85 s ASP 187 Ca 0.53 -0.29 -0.18 0.00 -3.30 0.00 0.00 52.55 49.31 1q85 s ASP 187 Cb -0.23 -1.01 0.17 0.00 -1.09 0.00 0.00 42.92 40.77 1q85 s ASP 187 CO 0.28 -0.55 1.60 -0.65 0.70 0.00 0.00 175.17 176.56 1q85 h PRO 188 N 0.83 -0.10 -0.02 2.11 0.11 -1.90 -0.33 132.00 132.70 1q85 h PRO 188 Ca -0.44 0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.71 1q85 h PRO 188 Cb 1.26 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 1q85 h PRO 188 CO 0.50 -0.07 -0.19 0.00 -0.21 0.00 0.00 178.00 178.03 1q85 h ALA 189 N 1.26 -0.23 0.09 -0.75 0.00 -1.93 0.12 119.26 117.83 1q85 h ALA 189 Ca 0.26 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1q85 h ALA 189 Cb 0.52 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1q85 h ALA 189 CO -0.66 -0.68 -0.34 -0.97 0.00 0.00 0.00 179.25 176.59 1q85 h ASN 190 N -0.30 -1.01 -0.53 0.00 -0.73 -1.81 0.11 115.58 111.32 1q85 h ASN 190 Ca 0.06 0.12 0.10 0.00 1.87 0.00 0.00 56.30 58.45 1q85 h ASN 190 Cb 0.39 0.39 -0.11 0.00 0.27 0.00 0.00 38.32 39.26 1q85 h ASN 190 CO -0.20 -0.42 -0.33 0.15 -0.37 0.00 0.00 177.43 176.26 1q85 h PHE 191 N -0.55 -0.91 -0.05 0.67 3.57 -0.64 0.19 116.94 119.21 1q85 h PHE 191 Ca 0.04 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1q85 h PHE 191 Cb 0.60 0.48 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1q85 h PHE 191 CO -0.32 -0.38 0.01 0.00 -2.23 0.00 0.00 178.31 175.39 1q85 h ALA 192 N 0.92 0.05 -0.62 2.41 0.00 -0.24 -1.66 119.26 120.13 1q85 h ALA 192 Ca 0.21 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1q85 h ALA 192 Cb 0.54 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1q85 h ALA 192 CO -0.63 -0.47 0.18 0.82 0.00 0.00 0.00 179.25 179.15 1q85 h ILE 193 N 0.03 1.24 -0.04 0.00 2.04 -0.04 0.21 117.51 120.94 1q85 h ILE 193 Ca 0.02 -0.83 -0.23 0.00 1.00 0.00 0.00 64.86 64.82 1q85 h ILE 193 Cb 0.02 0.58 0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1q85 h ILE 193 CO -0.03 0.32 -0.90 0.74 0.00 0.00 0.00 178.15 178.28 1q85 h THR 194 N 0.91 1.34 0.00 -0.27 2.02 -0.55 -3.36 112.91 112.99 1q85 h THR 194 Ca 0.20 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 65.14 1q85 h THR 194 Cb 0.29 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1q85 h THR 194 CO -0.01 0.69 -1.84 0.49 0.37 0.00 0.00 175.52 175.22 1q85 n PHE 195 N -3.83 0.11 -0.32 3.16 3.01 -0.63 -4.44 117.46 114.51 1q85 n PHE 195 Ca -0.08 0.03 0.07 0.00 1.01 0.00 0.00 57.45 58.48 1q85 n PHE 195 Cb 0.81 -0.53 0.23 0.00 -0.01 0.00 0.00 39.48 39.98 1q85 n PHE 195 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1q85 h ASP 196 N 0.00 0.72 0.21 4.37 3.58 -0.72 -1.08 116.42 123.50 1q85 h ASP 196 Ca 0.00 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1q85 h ASP 196 Cb 0.98 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1q85 h ASP 196 CO 0.00 0.35 -0.02 -1.84 -2.88 0.00 0.00 179.24 174.85 1q85 n GLU 197 N -4.75 0.86 -1.95 0.28 0.28 -1.26 -4.85 120.64 109.25 1q85 n GLU 197 Ca 0.17 -0.15 -0.30 0.00 -0.16 0.00 0.00 57.16 56.72 1q85 n GLU 197 Cb 0.39 -1.50 0.03 0.00 1.43 0.00 0.00 31.44 31.79 1q85 n GLU 197 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1q85 s LEU 198 N -2.24 3.11 0.00 -1.84 1.02 -0.41 -4.86 118.68 113.46 1q85 s LEU 198 Ca 0.38 1.22 0.00 0.00 0.02 0.00 0.00 54.13 55.76 1q85 s LEU 198 Cb 0.21 -4.15 0.00 0.00 0.02 0.00 0.00 46.19 42.27 1q85 s LEU 198 CO 0.41 -1.07 1.05 -0.67 0.02 0.00 0.00 176.35 176.09 1q85 n ASP 199 N -2.82 2.88 -4.96 2.29 4.64 -1.26 -4.82 116.55 112.49 1q85 n ASP 199 Ca 0.06 -1.68 -0.22 0.00 -1.38 0.00 0.00 54.79 51.57 1q85 n ASP 199 Cb 0.56 -0.58 -0.02 0.00 -1.04 0.00 0.00 41.12 40.04 1q85 n ASP 199 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 1q85 s ILE 200 N 0.63 5.22 -0.13 5.18 -5.25 -1.26 -4.90 121.20 120.68 1q85 s ILE 200 Ca 0.00 -0.82 0.16 0.00 -0.99 0.00 0.00 60.65 59.00 1q85 s ILE 200 Cb 0.00 -3.85 -0.24 0.00 2.95 0.00 0.00 42.46 41.32 1q85 s ILE 200 CO 0.00 -0.38 0.34 0.47 -1.79 0.00 0.00 174.94 173.58 1q85 n ASP 201 N -1.46 0.38 -3.87 4.36 8.00 -0.03 -4.97 116.55 118.96 1q85 n ASP 201 Ca -0.08 0.18 -0.09 0.00 0.71 0.00 0.00 54.79 55.52 1q85 n ASP 201 Cb 0.57 0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 42.16 1q85 n ASP 201 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q85 s ALA 202 N -2.57 -0.18 0.13 2.24 0.00 -0.61 -2.88 121.76 117.89 1q85 s ALA 202 Ca -0.08 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.29 1q85 s ALA 202 Cb 0.07 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1q85 s ALA 202 CO 0.83 -0.50 -0.13 -0.51 0.00 0.00 0.00 175.76 175.45 1q85 s LEU 203 N -2.86 2.44 0.11 0.00 1.43 0.08 -0.87 118.68 119.00 1q85 s LEU 203 Ca 0.05 -0.86 -0.25 0.00 -1.03 0.00 0.00 54.13 52.04 1q85 s LEU 203 Cb 0.05 -0.52 0.09 0.00 0.03 0.00 0.00 46.19 45.84 1q85 s LEU 203 CO -0.11 -0.18 1.12 -0.83 0.23 0.00 0.00 176.35 176.58 1q85 s GLY 204 N -2.64 -0.05 -0.00 -3.19 0.00 -0.27 -1.12 107.32 100.05 1q85 s GLY 204 Ca 0.11 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.79 1q85 s GLY 204 CO 0.03 2.72 -0.08 -0.42 0.00 0.00 0.00 173.10 175.34 1q85 s ILE 205 N -2.28 0.66 0.06 0.90 1.01 -0.49 -4.24 121.20 116.82 1q85 s ILE 205 Ca 0.22 -0.40 -0.13 0.00 0.00 0.00 0.00 60.65 60.33 1q85 s ILE 205 Cb -0.01 -0.57 0.02 0.00 0.01 0.00 0.00 42.46 41.91 1q85 s ILE 205 CO 0.02 0.15 0.30 0.54 0.00 0.00 0.00 174.94 175.96 1q85 s ASN 206 N -0.28 -0.10 0.34 3.58 4.22 -1.26 -1.52 114.94 119.91 1q85 s ASN 206 Ca 0.03 -0.27 0.00 0.00 -2.14 0.00 0.00 52.86 50.48 1q85 s ASN 206 Cb -0.04 0.37 0.00 0.00 1.28 0.00 0.00 41.25 42.86 1q85 s ASN 206 CO -0.00 -0.66 0.00 0.00 -2.04 0.00 0.00 177.10 174.40 1q85 n SER 208 N -1.93 0.00 -3.91 0.00 7.64 -1.26 -4.62 113.62 109.53 1q85 n SER 208 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.71 1q85 n SER 208 Cb 0.18 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.29 1q85 n SER 208 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1q85 s LEU 209 N 0.00 1.59 0.50 -3.43 1.43 -1.26 -4.94 118.68 112.57 1q85 s LEU 209 Ca 0.00 -1.56 0.07 0.00 -1.03 0.00 0.00 54.13 51.61 1q85 s LEU 209 Cb 0.00 0.30 0.05 0.00 0.03 0.00 0.00 46.19 46.56 1q85 s LEU 209 CO 0.00 -0.91 0.69 -0.83 0.23 0.00 0.00 176.35 175.53 1q85 s GLY 210 N -3.33 1.85 0.27 -3.19 0.00 -1.26 0.64 107.32 102.31 1q85 s GLY 210 Ca 0.37 -1.78 -0.01 0.00 0.00 0.00 0.00 44.72 43.30 1q85 s GLY 210 CO 0.18 -1.48 1.64 -2.55 0.00 0.00 0.00 173.10 170.90 1q85 h PRO 211 N 0.35 0.16 -0.06 2.90 0.11 -1.89 0.29 132.00 133.85 1q85 h PRO 211 Ca -0.37 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.69 1q85 h PRO 211 Cb 1.28 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1q85 h PRO 211 CO 0.44 0.11 -0.13 1.49 -0.21 0.00 0.00 178.00 179.70 1q85 h GLU 212 N 0.17 0.19 -0.64 1.05 4.81 -1.95 -2.78 114.58 115.42 1q85 h GLU 212 Ca 0.50 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1q85 h GLU 212 Cb 0.97 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 1q85 h GLU 212 CO -0.67 0.72 0.36 0.93 -0.73 0.00 0.00 179.01 179.62 1q85 h GLU 213 N -0.31 0.90 -0.37 1.92 5.08 -1.80 -2.71 114.58 117.28 1q85 h GLU 213 Ca 0.00 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1q85 h GLU 213 Cb 0.72 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1q85 h GLU 213 CO 0.03 0.67 -0.00 0.82 -1.00 0.00 0.00 179.01 179.53 1q85 h ILE 214 N 0.88 1.21 -0.82 3.13 1.08 -1.03 -3.33 117.51 118.62 1q85 h ILE 214 Ca 0.23 -0.85 0.11 0.00 -0.39 0.00 0.00 64.86 63.96 1q85 h ILE 214 Cb 0.03 0.94 -0.12 0.00 -3.07 0.00 0.00 36.82 34.60 1q85 h ILE 214 CO -0.04 0.29 -0.36 -0.11 -0.69 0.00 0.00 178.15 177.24 1q85 n LEU 215 N -4.26 -0.62 -0.20 1.44 7.94 -1.02 -0.30 117.00 119.98 1q85 n LEU 215 Ca 0.02 1.44 -0.10 0.00 -1.11 0.00 0.00 56.01 56.26 1q85 n LEU 215 Cb 0.26 -0.29 0.02 0.00 0.53 0.00 0.00 43.42 43.94 1q85 n LEU 215 CO 0.40 -1.26 0.79 1.55 -1.11 0.00 0.00 177.39 177.75 1q85 h PRO 216 N 0.00 1.03 -0.65 1.96 0.13 -1.75 -1.65 132.00 131.07 1q85 h PRO 216 Ca 0.24 -0.35 -0.04 0.00 -0.87 0.00 0.00 66.00 64.98 1q85 h PRO 216 Cb 0.45 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.47 1q85 h PRO 216 CO -0.80 1.04 0.25 0.82 -0.23 0.00 0.00 178.00 179.07 1q85 h ILE 217 N 0.91 1.24 -0.10 -3.56 2.04 -1.21 -2.56 117.51 114.27 1q85 h ILE 217 Ca 0.15 -0.76 -0.11 0.00 1.00 0.00 0.00 64.86 65.14 1q85 h ILE 217 Cb 0.60 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1q85 h ILE 217 CO 0.04 0.30 -0.42 0.15 0.00 0.00 0.00 178.15 178.22 1q85 h PHE 218 N 0.92 0.26 -0.12 1.37 3.04 -0.55 -2.91 116.94 118.95 1q85 h PHE 218 Ca 0.21 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 62.09 1q85 h PHE 218 Cb 0.22 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 1q85 h PHE 218 CO 0.01 0.61 0.05 0.37 -2.02 0.00 0.00 178.31 177.33 1q85 h GLN 219 N 0.19 0.17 -0.37 1.11 4.15 -0.92 -2.24 115.11 117.20 1q85 h GLN 219 Ca 0.02 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.43 1q85 h GLN 219 Cb 0.82 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.45 1q85 h GLN 219 CO 0.06 0.26 0.19 1.49 -1.93 0.00 0.00 178.83 178.90 1q85 h GLU 220 N 0.04 0.37 -0.18 1.69 4.81 -1.40 -2.66 114.58 117.25 1q85 h GLU 220 Ca 0.04 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1q85 h GLU 220 Cb 0.15 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 1q85 h GLU 220 CO -0.00 0.24 -0.23 1.25 -0.73 0.00 0.00 179.01 179.54 1q85 h LEU 221 N 0.38 -0.73 -2.41 1.64 6.46 -1.38 -1.28 115.31 118.00 1q85 h LEU 221 Ca 0.16 0.13 0.02 0.00 -0.12 0.00 0.00 57.88 58.07 1q85 h LEU 221 Cb 0.07 0.33 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1q85 h LEU 221 CO -0.11 -0.27 0.10 0.77 -0.62 0.00 0.00 178.44 178.31 1q85 h SER 222 N -0.26 0.00 0.59 1.25 4.64 -1.13 -2.17 113.55 116.47 1q85 h SER 222 Ca 0.12 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.34 1q85 h SER 222 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1q85 h SER 222 CO -0.34 0.00 -0.48 1.56 -0.87 0.00 0.00 176.83 176.71 1q85 h GLN 223 N 0.00 0.00 -0.33 4.77 4.20 -0.90 -3.26 115.11 119.59 1q85 h GLN 223 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1q85 h GLN 223 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1q85 h GLN 223 CO -0.00 0.48 0.00 0.66 -0.67 0.00 0.00 178.83 179.30 1q85 n TYR 224 N -3.81 0.71 -3.98 2.96 4.01 -0.82 0.89 117.16 117.11 1q85 n TYR 224 Ca -0.01 -0.65 -0.10 0.00 -0.16 0.00 0.00 57.90 56.97 1q85 n TYR 224 Cb 0.52 -0.15 -0.12 0.00 -0.31 0.00 0.00 39.34 39.28 1q85 n TYR 224 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1q85 s THR 225 N -1.76 0.18 -0.11 -0.72 -1.32 -1.19 -4.45 115.64 106.26 1q85 s THR 225 Ca 0.32 -0.76 0.16 0.00 -1.21 0.00 0.00 61.69 60.21 1q85 s THR 225 Cb 0.22 -0.28 -0.24 0.00 -1.51 0.00 0.00 72.50 70.69 1q85 s THR 225 CO 0.14 -0.37 0.19 0.47 -2.21 0.00 0.00 174.62 172.84 1q85 n ASP 226 N 1.88 0.78 -3.98 8.08 10.43 -1.26 -4.80 116.55 127.68 1q85 n ASP 226 Ca -0.21 0.00 -0.28 0.00 2.57 0.00 0.00 54.79 56.87 1q85 n ASP 226 Cb 0.56 1.27 0.21 0.00 1.84 0.00 0.00 41.12 45.00 1q85 n ASP 226 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1q85 n LYS 227 N -2.45 -2.55 -2.23 -1.24 4.76 -1.26 -4.93 118.16 108.26 1q85 n LYS 227 Ca -0.19 -0.74 -0.36 0.00 -2.87 0.00 0.00 58.31 54.16 1q85 n LYS 227 Cb 0.84 -1.77 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 1q85 n LYS 227 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1q85 s PHE 228 N -2.20 2.71 0.09 2.13 0.40 -1.14 -4.83 117.98 115.14 1q85 s PHE 228 Ca 0.56 1.54 0.06 0.00 -0.60 0.00 0.00 56.93 58.48 1q85 s PHE 228 Cb -0.13 -3.34 -0.04 0.00 0.51 0.00 0.00 43.02 40.02 1q85 s PHE 228 CO 0.57 -1.62 -0.07 -0.51 0.70 0.00 0.00 175.22 174.29 1q85 s LEU 229 N -3.54 3.18 0.00 -0.37 1.43 -1.26 -0.74 118.68 117.38 1q85 s LEU 229 Ca 0.70 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 1q85 s LEU 229 Cb -0.26 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 1q85 s LEU 229 CO 0.30 0.19 -0.02 -0.69 0.23 0.00 0.00 176.35 176.36 1q85 s VAL 230 N -1.22 0.14 -0.06 -1.59 1.01 -0.28 -1.65 120.40 116.75 1q85 s VAL 230 Ca 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 1q85 s VAL 230 Cb -0.11 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.17 1q85 s VAL 230 CO 0.15 -0.01 0.12 0.54 0.00 0.00 0.00 175.10 175.90 1q85 s VAL 231 N -0.16 -0.06 -0.44 2.92 0.11 -0.92 -1.40 120.40 120.45 1q85 s VAL 231 Ca -0.01 0.20 0.03 0.00 -2.93 0.00 0.00 61.98 59.28 1q85 s VAL 231 Cb -0.01 -0.21 0.16 0.00 -1.53 0.00 0.00 36.38 34.79 1q85 s VAL 231 CO -0.00 0.08 0.33 -1.61 -3.33 0.00 0.00 175.10 170.57 1q85 s GLU 232 N 1.22 1.07 0.60 1.54 2.02 -0.58 -1.02 118.70 123.55 1q85 s GLU 232 Ca -0.08 -2.13 -0.16 0.00 0.02 0.00 0.00 54.97 52.62 1q85 s GLU 232 Cb -0.12 -1.73 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 1q85 s GLU 232 CO -0.05 -1.33 1.07 -2.14 0.02 0.00 0.00 175.26 172.83 1q85 s PRO 233 N 0.06 3.26 0.64 0.39 0.02 -1.23 -1.80 135.00 136.35 1q85 s PRO 233 Ca 0.28 1.26 -0.14 0.00 0.02 0.00 0.00 61.00 62.42 1q85 s PRO 233 Cb -0.04 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 1q85 s PRO 233 CO -0.14 -0.86 1.06 -0.80 -0.33 0.00 0.00 177.00 175.93 1q85 s ASN 234 N -2.67 5.53 0.00 2.53 0.02 0.21 -1.11 114.94 119.45 1q85 s ASN 234 Ca 0.65 1.76 -0.03 0.00 -1.02 0.00 0.00 52.86 54.22 1q85 s ASN 234 Cb -0.17 -2.52 -0.13 0.00 0.02 0.00 0.00 41.25 38.45 1q85 s ASN 234 CO 0.36 -1.34 2.46 0.00 0.02 0.00 0.00 177.10 178.60 1q85 n ALA 235 N -2.51 4.61 0.00 0.60 0.00 -1.23 -4.11 120.51 117.87 1q85 n ALA 235 Ca 0.08 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1q85 n ALA 235 Cb 0.53 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1q85 n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q85 n GLY 236 N 2.17 2.03 0.13 0.00 0.00 -1.26 -1.32 105.19 106.94 1q85 n GLY 236 Ca 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1q85 n GLY 236 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1q85 n THR 245 N 0.00 0.00 -3.83 2.61 -2.24 -1.26 -4.33 114.28 105.23 1q85 n THR 245 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1q85 n THR 245 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1q85 n THR 245 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1q85 s VAL 246 N -0.51 0.12 -0.50 2.28 -7.23 -1.26 -5.12 120.40 108.18 1q85 s VAL 246 Ca 0.00 -1.09 -0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1q85 s VAL 246 Cb 0.00 -1.38 0.13 0.00 0.56 0.00 0.00 36.38 35.70 1q85 s VAL 246 CO 0.00 -0.54 0.28 -0.31 -0.31 0.00 0.00 175.10 174.22 1q85 s TYR 247 N -3.86 3.48 0.28 2.82 2.02 -1.26 -4.99 117.35 115.83 1q85 s TYR 247 Ca 0.06 -2.73 0.27 0.00 -0.37 0.00 0.00 57.07 54.31 1q85 s TYR 247 Cb 0.04 -3.11 1.47 0.00 -0.40 0.00 0.00 41.96 39.96 1q85 s TYR 247 CO -0.10 -0.88 1.81 -1.00 -1.57 0.00 0.00 175.55 173.80 1q85 h PRO 248 N 7.36 0.00 -6.18 -1.71 0.13 -1.95 -3.44 132.00 126.21 1q85 h PRO 248 Ca -0.07 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.49 1q85 h PRO 248 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1q85 h PRO 248 CO 0.68 0.00 1.32 -1.17 -0.23 0.00 0.00 178.00 178.60 1q85 s LEU 249 N -5.12 3.64 0.53 1.56 2.96 -0.44 -4.96 118.68 116.86 1q85 s LEU 249 Ca -0.03 1.70 -0.14 0.00 -0.22 0.00 0.00 54.13 55.44 1q85 s LEU 249 Cb 0.08 -3.52 -0.07 0.00 0.50 0.00 0.00 46.19 43.18 1q85 s LEU 249 CO 0.25 -1.66 0.97 -0.54 -1.32 0.00 0.00 176.35 174.05 1q85 s LYS 250 N 5.62 3.84 0.45 1.98 1.02 -1.26 -4.86 119.74 126.52 1q85 s LYS 250 Ca 0.87 0.84 0.33 0.00 0.02 0.00 0.00 55.97 58.03 1q85 s LYS 250 Cb -0.29 -2.15 1.50 0.00 -0.52 0.00 0.00 37.83 36.38 1q85 s LYS 250 CO 0.34 -0.32 1.58 -1.35 -0.92 0.00 0.00 175.35 174.68 1q85 h PRO 251 N 0.62 0.01 0.06 -1.68 0.11 -1.92 -2.05 132.00 127.15 1q85 h PRO 251 Ca -0.46 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1q85 h PRO 251 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1q85 h PRO 251 CO 0.62 0.01 -0.03 0.45 -0.21 0.00 0.00 178.00 178.83 1q85 h HIS 252 N 0.01 -0.08 0.00 0.65 3.86 -1.95 -2.38 115.15 115.26 1q85 h HIS 252 Ca 0.88 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 60.09 1q85 h HIS 252 Cb 2.85 0.03 0.00 0.00 1.06 0.00 0.00 27.41 31.35 1q85 h HIS 252 CO -0.01 0.52 0.00 0.22 0.86 0.00 0.00 177.93 179.52 1q85 h ASP 253 N -0.87 0.00 0.04 2.45 -0.00 -1.78 -2.08 116.42 114.19 1q85 h ASP 253 Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.03 56.87 1q85 h ASP 253 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.95 1q85 h ASP 253 CO 0.01 0.00 -0.76 0.15 -0.00 0.00 0.00 179.24 178.64 1q85 h PHE 254 N 0.00 0.16 0.00 0.28 3.04 -1.47 -3.37 116.94 115.59 1q85 h PHE 254 Ca 0.00 -0.12 -0.05 0.00 3.98 0.00 0.00 57.97 61.78 1q85 h PHE 254 Cb 0.21 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 1q85 h PHE 254 CO 0.00 1.30 -0.22 0.00 -2.02 0.00 0.00 178.31 177.36 1q85 h ALA 255 N -0.14 1.58 0.00 2.41 0.00 -1.15 -2.36 119.26 119.60 1q85 h ALA 255 Ca -0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1q85 h ALA 255 Cb 1.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1q85 h ALA 255 CO -0.03 0.28 0.00 1.33 0.00 0.00 0.00 179.25 180.83 1q85 n VAL 256 N -4.21 1.26 0.23 0.00 0.24 -0.80 -1.80 118.33 113.25 1q85 n VAL 256 Ca -0.02 0.40 0.12 0.00 -2.04 0.00 0.00 64.34 62.79 1q85 n VAL 256 Cb 0.28 -1.30 0.06 0.00 -1.47 0.00 0.00 33.84 31.41 1q85 n VAL 256 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 1q85 h HIS 257 N 0.00 0.00 -0.17 6.34 -0.00 -1.61 -3.40 115.15 116.32 1q85 h HIS 257 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.41 1q85 h HIS 257 Cb 0.16 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 27.50 1q85 h HIS 257 CO 0.00 0.00 -0.53 0.82 -0.00 0.00 0.00 177.93 178.22 1q85 h ILE 258 N 0.00 0.02 -1.69 2.45 2.04 -1.49 -1.11 117.51 117.73 1q85 h ILE 258 Ca 0.00 0.00 0.50 0.00 1.00 0.00 0.00 64.86 66.36 1q85 h ILE 258 Cb 0.94 0.02 -0.09 0.00 -0.74 0.00 0.00 36.82 36.96 1q85 h ILE 258 CO 0.00 0.00 1.19 0.44 0.00 0.00 0.00 178.15 179.78 1q85 h ASP 259 N -0.55 0.06 0.41 1.72 5.19 -1.79 0.15 116.42 121.61 1q85 h ASP 259 Ca 0.05 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.47 1q85 h ASP 259 Cb 0.67 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.22 1q85 h ASP 259 CO -0.45 -0.05 -0.20 0.28 -3.12 0.00 0.00 179.24 175.70 1q85 h SER 260 N 0.02 -0.46 -0.74 6.45 0.02 -1.48 -2.66 113.55 114.70 1q85 h SER 260 Ca 0.85 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.69 1q85 h SER 260 Cb 3.24 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 65.87 1q85 h SER 260 CO -0.12 -0.09 0.49 1.88 -1.14 0.00 0.00 176.83 177.85 1q85 h TYR 261 N -0.90 0.93 -0.78 3.45 0.05 -0.71 -1.70 116.97 117.31 1q85 h TYR 261 Ca -0.06 0.02 0.12 0.00 0.05 0.00 0.00 58.73 58.86 1q85 h TYR 261 Cb 0.55 -0.31 -0.05 0.00 1.01 0.00 0.00 36.73 37.93 1q85 h TYR 261 CO 0.02 0.59 0.51 -0.92 -1.05 0.00 0.00 178.16 177.30 1q85 h TYR 262 N 1.00 0.68 -0.19 4.88 5.03 -1.25 -1.10 116.97 126.02 1q85 h TYR 262 Ca 0.27 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.58 1q85 h TYR 262 Cb -0.11 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 37.94 1q85 h TYR 262 CO -0.02 0.30 0.03 1.49 -1.32 0.00 0.00 178.16 178.63 1q85 h GLU 263 N 0.62 0.31 0.00 1.82 4.57 -0.95 -2.52 114.58 118.43 1q85 h GLU 263 Ca 0.37 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 1q85 h GLU 263 Cb 0.59 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1q85 h GLU 263 CO -0.14 0.48 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.05 1q85 h LEU 264 N 0.10 0.00 0.00 1.64 3.38 -0.91 -3.46 115.31 116.05 1q85 h LEU 264 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1q85 h LEU 264 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1q85 h LEU 264 CO 0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1q85 n GLY 265 N -0.93 1.69 3.76 0.83 0.00 -0.59 -4.96 105.19 105.00 1q85 n GLY 265 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1q85 n GLY 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q85 s VAL 266 N -2.00 2.18 -0.21 1.61 0.11 -0.89 -4.60 120.40 116.60 1q85 s VAL 266 Ca 0.00 0.15 0.05 0.00 -2.93 0.00 0.00 61.98 59.25 1q85 s VAL 266 Cb 0.00 -3.09 -0.16 0.00 -1.53 0.00 0.00 36.38 31.60 1q85 s VAL 266 CO 0.00 0.02 -0.14 0.59 -3.33 0.00 0.00 175.10 172.24 1q85 n ASN 267 N -0.30 1.95 -4.08 3.54 4.13 -0.66 -4.77 115.26 115.06 1q85 n ASN 267 Ca 0.06 -0.09 -0.29 0.00 1.68 0.00 0.00 54.58 55.94 1q85 n ASN 267 Cb 0.43 -0.07 -0.17 0.00 -1.54 0.00 0.00 39.78 38.43 1q85 n ASN 267 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1q85 s ILE 268 N -2.44 1.55 -0.02 2.41 1.01 -0.94 -0.66 121.20 122.11 1q85 s ILE 268 Ca -0.25 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 59.78 1q85 s ILE 268 Cb 0.07 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 1q85 s ILE 268 CO 0.55 0.45 -0.25 0.12 0.00 0.00 0.00 174.94 175.81 1q85 s PHE 269 N 0.83 2.27 0.00 3.97 2.19 -0.84 -2.17 117.98 124.23 1q85 s PHE 269 Ca -0.10 -0.44 0.00 0.00 0.33 0.00 0.00 56.93 56.72 1q85 s PHE 269 Cb -0.16 -1.46 0.00 0.00 -1.31 0.00 0.00 43.02 40.09 1q85 s PHE 269 CO 0.01 -0.05 0.00 0.41 1.83 0.00 0.00 175.22 177.42 1q85 n GLY 270 N 2.49 1.56 3.38 13.12 0.00 -0.19 -1.34 105.19 124.21 1q85 n GLY 270 Ca -0.16 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 1q85 n GLY 270 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q85 s GLY 271 N -1.48 1.75 0.00 -0.02 0.00 -1.25 -3.51 107.32 102.81 1q85 s GLY 271 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.85 1q85 s GLY 271 CO 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 173.10 171.35 1q85 n GLY 274 N 4.50 2.44 3.85 0.00 0.00 -1.26 -3.50 105.19 111.22 1q85 n GLY 274 Ca 0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 1q85 n GLY 274 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q85 s THR 275 N -2.18 4.58 0.39 2.61 -4.23 -0.70 -4.80 115.64 111.31 1q85 s THR 275 Ca 0.00 1.13 0.05 0.00 -1.18 0.00 0.00 61.69 61.68 1q85 s THR 275 Cb 0.00 -3.74 -0.02 0.00 1.34 0.00 0.00 72.50 70.08 1q85 s THR 275 CO 0.00 -0.74 0.18 0.42 -0.54 0.00 0.00 174.62 173.94 1q85 s THR 276 N -2.68 0.39 0.37 3.99 -4.23 -1.26 -3.07 115.64 109.15 1q85 s THR 276 Ca 0.58 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 1q85 s THR 276 Cb -0.10 -2.37 0.27 0.00 1.34 0.00 0.00 72.50 71.64 1q85 s THR 276 CO 0.34 0.00 2.02 -0.65 -0.54 0.00 0.00 174.62 175.79 1q85 h PRO 277 N 1.87 0.75 -0.14 3.99 0.11 -1.93 -1.70 132.00 134.94 1q85 h PRO 277 Ca -0.32 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.76 1q85 h PRO 277 Cb 1.26 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1q85 h PRO 277 CO 0.50 0.50 0.05 0.93 -0.21 0.00 0.00 178.00 179.76 1q85 h GLU 278 N 0.77 0.11 -0.85 1.05 3.07 -1.96 0.36 114.58 117.13 1q85 h GLU 278 Ca 0.23 -0.01 0.08 0.00 -0.50 0.00 0.00 59.36 59.16 1q85 h GLU 278 Cb -0.03 -0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 27.78 1q85 h GLU 278 CO -0.05 0.07 0.51 0.45 -1.40 0.00 0.00 179.01 178.59 1q85 h HIS 279 N 0.11 0.94 -0.31 4.33 3.86 -1.69 -1.61 115.15 120.78 1q85 h HIS 279 Ca 0.06 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1q85 h HIS 279 Cb 0.04 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 1q85 h HIS 279 CO -0.11 0.43 0.02 0.28 0.86 0.00 0.00 177.93 179.41 1q85 h VAL 280 N 0.89 1.25 -0.94 2.45 2.07 -0.51 -2.16 116.25 119.29 1q85 h VAL 280 Ca 0.39 -0.89 0.15 0.00 0.82 0.00 0.00 66.70 67.17 1q85 h VAL 280 Cb 0.28 1.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 1q85 h VAL 280 CO -0.21 0.29 0.60 0.11 0.02 0.00 0.00 177.57 178.38 1q85 h LYS 281 N 0.34 0.76 0.00 1.57 1.57 0.60 -0.12 116.57 121.29 1q85 h LYS 281 Ca 0.09 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1q85 h LYS 281 Cb 0.40 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1q85 h LYS 281 CO 0.01 0.50 -0.72 -0.07 -0.57 0.00 0.00 179.45 178.61 1q85 h LEU 282 N 0.79 0.00 -0.02 2.94 3.38 -1.17 -2.86 115.31 118.36 1q85 h LEU 282 Ca 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 1q85 h LEU 282 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1q85 h LEU 282 CO -0.25 0.72 0.01 -0.26 0.09 0.00 0.00 178.44 178.75 1q85 h PHE 283 N 0.00 0.03 -0.01 1.13 0.04 -0.37 0.21 116.94 117.97 1q85 h PHE 283 Ca -0.01 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1q85 h PHE 283 Cb 1.40 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.54 1q85 h PHE 283 CO 0.00 0.10 -0.11 -0.09 -0.60 0.00 0.00 178.31 177.62 1q85 h ARG 284 N -0.06 0.01 -0.03 1.51 9.65 -1.46 0.85 114.38 124.85 1q85 h ARG 284 Ca 0.01 -0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.75 1q85 h ARG 284 Cb 0.09 -0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.67 1q85 h ARG 284 CO -0.00 0.12 -0.52 -0.22 2.80 0.00 0.00 179.97 182.14 1q85 h LYS 285 N 0.01 0.41 0.02 0.20 3.64 -1.16 -1.16 116.57 118.53 1q85 h LYS 285 Ca 0.00 -0.40 -0.22 0.00 -1.27 0.00 0.00 60.65 58.76 1q85 h LYS 285 Cb 0.20 0.10 0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1q85 h LYS 285 CO 0.01 1.06 -0.87 0.28 -2.27 0.00 0.00 179.45 177.66 1q85 h VAL 286 N -0.09 1.35 0.07 2.00 2.07 -0.18 -3.38 116.25 118.10 1q85 h VAL 286 Ca -0.06 -2.21 -0.00 0.00 0.82 0.00 0.00 66.70 65.25 1q85 h VAL 286 Cb 1.21 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 1q85 h VAL 286 CO 0.10 0.66 -0.04 0.25 0.02 0.00 0.00 177.57 178.57 1q85 h LEU 287 N 0.13 -0.08 0.00 2.57 5.85 0.60 -3.49 115.31 120.89 1q85 h LEU 287 Ca -0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1q85 h LEU 287 Cb 1.56 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.61 1q85 h LEU 287 CO 0.17 0.01 0.00 0.61 -0.34 0.00 0.00 178.44 178.89 1q85 n GLY 288 N 0.93 1.45 3.32 3.75 0.00 -0.44 -4.51 105.19 109.69 1q85 n GLY 288 Ca -0.01 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 1q85 n GLY 288 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q85 s ASN 289 N -4.00 5.67 -0.01 1.61 -0.87 -1.26 -4.93 114.94 111.15 1q85 s ASN 289 Ca 0.00 -1.26 0.00 0.00 -1.57 0.00 0.00 52.86 50.03 1q85 s ASN 289 Cb 0.00 -2.00 0.01 0.00 -0.02 0.00 0.00 41.25 39.24 1q85 s ASN 289 CO 0.00 -0.46 0.00 -0.13 -2.57 0.00 0.00 177.10 173.94 1q85 s ARG 290 N 1.49 0.12 0.23 -0.60 0.52 -1.26 -5.06 118.95 114.38 1q85 s ARG 290 Ca 0.02 0.05 -0.30 0.00 -0.52 0.00 0.00 55.73 54.98 1q85 s ARG 290 Cb -0.21 -0.24 -0.09 0.00 0.52 0.00 0.00 34.95 34.93 1q85 s ARG 290 CO 0.04 -0.07 0.96 0.21 0.02 0.00 0.00 175.30 176.47 1q85 s LYS 291 N 0.54 4.82 0.25 3.54 2.20 -1.26 -0.92 119.74 128.91 1q85 s LYS 291 Ca -0.05 1.52 -0.31 0.00 -0.36 0.00 0.00 55.97 56.77 1q85 s LYS 291 Cb -0.07 -3.28 -0.13 0.00 -1.51 0.00 0.00 37.83 32.84 1q85 s LYS 291 CO -0.01 0.45 1.50 -2.30 -0.36 0.00 0.00 175.35 174.62 1q85 n PRO 292 N 1.61 2.30 -2.42 4.03 -0.02 -1.26 -4.83 135.00 134.40 1q85 n PRO 292 Ca -0.01 0.82 -0.43 0.00 -2.02 0.00 0.00 63.50 61.86 1q85 n PRO 292 Cb 0.47 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 1q85 n PRO 292 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1q85 s LEU 293 N 0.03 3.97 0.60 2.45 0.20 -1.26 -4.99 118.68 119.68 1q85 s LEU 293 Ca 0.68 1.36 -0.20 0.00 0.69 0.00 0.00 54.13 56.66 1q85 s LEU 293 Cb -0.59 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 41.60 1q85 s LEU 293 CO 0.47 -0.98 1.33 -1.10 -0.29 0.00 0.00 176.35 175.78 1q85 s GLN 294 N 3.96 2.83 -0.00 1.98 -1.52 -1.26 -4.55 119.66 121.10 1q85 s GLN 294 Ca 0.56 2.16 -0.18 0.00 -1.95 0.00 0.00 55.36 55.96 1q85 s GLN 294 Cb -0.18 -2.05 0.03 0.00 -0.22 0.00 0.00 33.01 30.59 1q85 s GLN 294 CO 0.20 -1.41 0.38 -0.98 -0.25 0.00 0.00 175.29 173.23 1q85 s ARG 295 N -3.15 0.79 0.00 2.91 1.70 -1.26 -5.00 118.95 114.94 1q85 s ARG 295 Ca 0.77 -0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.83 1q85 s ARG 295 Cb -0.39 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.34 1q85 s ARG 295 CO 0.44 -0.24 0.00 1.63 -1.08 0.00 0.00 175.30 176.05 1q85 n LYS 296 N 0.99 1.28 0.00 3.89 4.01 -1.26 -4.99 118.16 122.08 1q85 n LYS 296 Ca -0.20 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.60 1q85 n LYS 296 Cb 0.57 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.09 1q85 n LYS 296 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1q85 n LYS 297 N 0.00 0.00 -1.95 1.97 2.85 -1.26 -4.71 118.16 115.07 1q85 n LYS 297 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 1q85 n LYS 297 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1q85 n LYS 297 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1q85 s LYS 298 N -1.05 3.90 -0.18 -1.58 1.02 0.26 -4.97 119.74 117.14 1q85 s LYS 298 Ca 0.00 2.29 0.01 0.00 0.02 0.00 0.00 55.97 58.29 1q85 s LYS 298 Cb 0.00 -2.76 0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1q85 s LYS 298 CO 0.00 -0.59 -0.16 0.50 -0.92 0.00 0.00 175.35 174.18 1q85 s ARG 299 N -2.27 2.58 0.09 1.68 3.52 -1.26 -4.60 118.95 118.69 1q85 s ARG 299 Ca 0.57 -0.83 0.03 0.00 -0.13 0.00 0.00 55.73 55.38 1q85 s ARG 299 Cb -0.41 -2.47 -0.03 0.00 -1.56 0.00 0.00 34.95 30.47 1q85 s ARG 299 CO 0.53 -0.29 -0.10 0.96 -0.81 0.00 0.00 175.30 175.59 1q85 s ILE 300 N 1.33 0.90 -0.36 4.11 -4.36 -1.26 -5.12 121.20 116.44 1q85 s ILE 300 Ca 0.02 -1.59 -0.14 0.00 -0.26 0.00 0.00 60.65 58.68 1q85 s ILE 300 Cb -0.14 -1.30 -0.01 0.00 1.25 0.00 0.00 42.46 42.26 1q85 s ILE 300 CO -0.11 -0.55 0.30 0.12 0.24 0.00 0.00 174.94 174.94 1q85 s PHE 301 N -2.37 3.22 -0.05 1.37 2.19 -1.26 -5.05 117.98 116.04 1q85 s PHE 301 Ca 0.04 -0.26 -0.27 0.00 0.33 0.00 0.00 56.93 56.78 1q85 s PHE 301 Cb -0.03 -2.58 0.06 0.00 -1.31 0.00 0.00 43.02 39.15 1q85 s PHE 301 CO -0.00 -0.45 0.59 0.00 1.83 0.00 0.00 175.22 177.18 1q85 s ALA 302 N 1.82 -1.52 0.38 11.12 0.00 -1.26 -1.80 121.76 130.50 1q85 s ALA 302 Ca 0.08 1.09 0.08 0.00 0.00 0.00 0.00 51.96 53.20 1q85 s ALA 302 Cb -0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1q85 s ALA 302 CO 0.11 -0.34 0.20 0.14 0.00 0.00 0.00 175.76 175.87 1q85 s VAL 303 N -1.18 2.73 0.24 0.00 -7.23 -0.73 -4.94 120.40 109.29 1q85 s VAL 303 Ca -0.11 -1.63 -0.15 0.00 -1.81 0.00 0.00 61.98 58.28 1q85 s VAL 303 Cb -0.01 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 33.94 1q85 s VAL 303 CO 0.08 -0.09 0.52 -0.94 -0.31 0.00 0.00 175.10 174.36 1q85 s SER 304 N -3.92 -0.15 0.34 4.85 1.04 0.14 -0.64 113.70 115.37 1q85 s SER 304 Ca 0.41 -0.79 0.04 0.00 0.48 0.00 0.00 55.95 56.08 1q85 s SER 304 Cb -0.01 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 1q85 s SER 304 CO 0.24 -1.15 0.16 -0.94 0.98 0.00 0.00 173.24 172.52 1q85 s SER 305 N -2.97 2.02 0.24 7.02 1.04 0.82 -3.57 113.70 118.30 1q85 s SER 305 Ca 0.18 -1.62 -0.05 0.00 0.48 0.00 0.00 55.95 54.94 1q85 s SER 305 Cb -0.02 0.43 0.41 0.00 0.10 0.00 0.00 66.02 66.94 1q85 s SER 305 CO 0.06 -0.91 1.77 -0.65 0.98 0.00 0.00 173.24 174.49 1q85 h PRO 306 N 2.05 0.57 -0.00 4.02 0.11 -1.80 -3.15 132.00 133.80 1q85 h PRO 306 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1q85 h PRO 306 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1q85 h PRO 306 CO 0.52 0.38 -0.59 -1.13 -0.21 0.00 0.00 178.00 176.97 1q85 n SER 307 N -4.89 0.91 -4.11 -2.05 3.41 -1.25 -1.48 113.62 104.16 1q85 n SER 307 Ca 0.13 -0.95 -0.26 0.00 -0.26 0.00 0.00 58.87 57.53 1q85 n SER 307 Cb 0.34 0.86 -0.16 0.00 -0.26 0.00 0.00 64.21 64.99 1q85 n SER 307 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1q85 s LYS 308 N -2.23 1.75 -0.26 4.33 -0.14 -1.19 -4.83 119.74 117.18 1q85 s LYS 308 Ca 0.07 -0.56 -0.02 0.00 -1.36 0.00 0.00 55.97 54.11 1q85 s LYS 308 Cb 0.11 -1.50 0.03 0.00 -1.68 0.00 0.00 37.83 34.80 1q85 s LYS 308 CO 0.54 0.19 -0.04 -1.17 -0.76 0.00 0.00 175.35 174.10 1q85 s LEU 309 N 0.19 3.41 -0.37 3.17 2.96 -1.26 -0.13 118.68 126.64 1q85 s LEU 309 Ca -0.07 -1.00 -0.13 0.00 -0.22 0.00 0.00 54.13 52.72 1q85 s LEU 309 Cb -0.12 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.90 1q85 s LEU 309 CO 0.03 -0.17 0.25 -0.69 -1.32 0.00 0.00 176.35 174.45 1q85 s VAL 310 N 1.30 5.03 -0.08 1.68 1.01 0.18 -4.98 120.40 124.55 1q85 s VAL 310 Ca -0.02 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 1q85 s VAL 310 Cb -0.18 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1q85 s VAL 310 CO -0.03 -0.18 0.34 -0.89 0.00 0.00 0.00 175.10 174.34 1q85 s THR 311 N 1.65 5.20 -1.00 3.92 2.01 -1.26 -1.77 115.64 124.39 1q85 s THR 311 Ca 0.05 0.68 -0.07 0.00 0.31 0.00 0.00 61.69 62.65 1q85 s THR 311 Cb -0.18 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 1q85 s THR 311 CO 0.09 0.50 2.96 0.49 -0.69 0.00 0.00 174.62 177.98 1q85 n PHE 312 N 2.54 1.77 -0.50 4.92 3.72 -0.75 -4.12 117.46 125.04 1q85 n PHE 312 Ca -0.14 -2.49 0.06 0.00 -0.05 0.00 0.00 57.45 54.83 1q85 n PHE 312 Cb 0.53 -1.97 0.16 0.00 -0.94 0.00 0.00 39.48 37.25 1q85 n PHE 312 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1q85 n ASP 313 N 2.51 3.00 -3.43 4.37 3.85 -1.26 -4.97 116.55 120.62 1q85 n ASP 313 Ca 0.62 -2.44 -0.12 0.00 -0.71 0.00 0.00 54.79 52.14 1q85 n ASP 313 Cb 0.44 -0.31 -0.02 0.00 -1.35 0.00 0.00 41.12 39.88 1q85 n ASP 313 CO 0.00 0.00 0.00 -1.38 -1.01 0.00 0.00 177.20 174.81 1q85 s HIS 314 N -1.79 -0.54 0.08 2.11 -3.43 -1.26 -5.12 115.29 105.35 1q85 s HIS 314 Ca 0.26 0.38 -0.32 0.00 -0.80 0.00 0.00 55.06 54.58 1q85 s HIS 314 Cb 0.19 0.55 -0.11 0.00 -1.43 0.00 0.00 32.58 31.78 1q85 s HIS 314 CO 0.09 -0.82 1.83 0.34 -2.00 0.00 0.00 174.74 174.19 1q85 n PHE 315 N -0.28 2.52 -3.73 0.38 7.35 -1.26 -4.91 117.46 117.53 1q85 n PHE 315 Ca -0.17 -0.11 -0.36 0.00 -0.76 0.00 0.00 57.45 56.05 1q85 n PHE 315 Cb 0.64 -2.71 -0.10 0.00 0.35 0.00 0.00 39.48 37.66 1q85 n PHE 315 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1q85 s VAL 316 N 2.95 5.07 -0.26 -2.13 1.01 -0.87 -4.99 120.40 121.18 1q85 s VAL 316 Ca 0.84 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.72 1q85 s VAL 316 Cb -0.53 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1q85 s VAL 316 CO 0.40 0.35 0.53 -0.69 0.00 0.00 0.00 175.10 175.69 1q85 s VAL 317 N 1.15 5.06 -0.41 2.92 1.01 -1.26 -2.38 120.40 126.48 1q85 s VAL 317 Ca 0.06 0.92 -0.06 0.00 0.00 0.00 0.00 61.98 62.90 1q85 s VAL 317 Cb -0.14 -3.84 0.09 0.00 0.00 0.00 0.00 36.38 32.49 1q85 s VAL 317 CO 0.05 0.08 0.22 -0.63 0.00 0.00 0.00 175.10 174.81 1q85 s ILE 318 N 2.34 3.76 0.28 2.22 1.01 -0.76 -1.00 121.20 129.05 1q85 s ILE 318 Ca 0.22 -1.68 -0.30 0.00 0.00 0.00 0.00 60.65 58.89 1q85 s ILE 318 Cb -0.16 -3.40 -0.13 0.00 0.01 0.00 0.00 42.46 38.78 1q85 s ILE 318 CO 0.09 -0.56 1.32 0.61 0.00 0.00 0.00 174.94 176.40 1q85 n GLY 319 N 4.77 0.59 0.24 6.18 0.00 0.84 -4.16 105.19 113.65 1q85 n GLY 319 Ca -0.07 0.41 0.04 0.00 0.00 0.00 0.00 46.02 46.40 1q85 n GLY 319 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1q85 n GLU 320 N 1.35 1.72 0.18 1.61 0.28 -1.26 -0.40 120.64 124.12 1q85 n GLU 320 Ca 0.09 -0.67 0.10 0.00 -0.16 0.00 0.00 57.16 56.52 1q85 n GLU 320 Cb 0.33 -1.07 0.63 0.00 1.43 0.00 0.00 31.44 32.76 1q85 n GLU 320 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1q85 h ARG 321 N 1.16 0.04 -3.51 3.44 3.08 -1.91 -3.30 114.38 113.38 1q85 h ARG 321 Ca 0.00 -0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1q85 h ARG 321 Cb 0.32 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.37 1q85 h ARG 321 CO 0.00 0.03 3.18 -0.89 -1.07 0.00 0.00 179.97 181.22 1q85 n ILE 322 N -4.50 3.31 -3.78 2.04 5.41 -1.26 -4.76 119.36 115.82 1q85 n ILE 322 Ca 0.00 -2.23 -0.14 0.00 1.00 0.00 0.00 62.75 61.39 1q85 n ILE 322 Cb 0.21 -2.45 -0.15 0.00 -0.71 0.00 0.00 39.64 36.54 1q85 n ILE 322 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1q85 s ASN 323 N 3.08 -0.05 0.51 4.38 3.84 -1.25 -1.56 114.94 123.89 1q85 s ASN 323 Ca 0.55 0.18 0.29 0.00 0.21 0.00 0.00 52.86 54.10 1q85 s ASN 323 Cb 0.15 0.10 1.26 0.00 -0.55 0.00 0.00 41.25 42.21 1q85 s ASN 323 CO -0.04 -0.11 1.96 -0.65 -2.79 0.00 0.00 177.10 175.47 1q85 h PRO 324 N 6.92 0.00 -6.16 0.43 0.11 -1.86 -3.44 132.00 128.01 1q85 h PRO 324 Ca -0.39 0.00 -0.74 0.00 0.11 0.00 0.00 66.00 64.98 1q85 h PRO 324 Cb 1.15 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.29 1q85 h PRO 324 CO 0.45 0.11 0.73 0.00 -0.21 0.00 0.00 178.00 179.09 1q85 n ALA 325 N -2.17 -0.65 -0.96 -0.75 0.00 -1.26 -0.60 120.51 114.12 1q85 n ALA 325 Ca -0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1q85 n ALA 325 Cb 0.33 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1q85 n ALA 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q85 n GLY 326 N 3.65 0.14 2.50 0.00 0.00 -1.26 -4.89 105.19 105.32 1q85 n GLY 326 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 1q85 n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q85 n ARG 327 N -0.20 2.23 0.29 1.61 1.74 0.23 -4.89 116.66 117.67 1q85 n ARG 327 Ca 0.00 -4.32 0.16 0.00 -0.77 0.00 0.00 57.85 52.92 1q85 n ARG 327 Cb 0.34 -2.00 0.80 0.00 -1.02 0.00 0.00 32.46 30.58 1q85 n ARG 327 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1q85 h LYS 328 N 3.68 0.00 0.65 5.56 3.64 -1.90 0.26 116.57 128.45 1q85 h LYS 328 Ca 0.15 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1q85 h LYS 328 Cb 0.69 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1q85 h LYS 328 CO 0.73 0.00 -0.31 -0.22 -2.27 0.00 0.00 179.45 177.38 1q85 h LYS 329 N 0.00 -0.84 -0.30 1.90 1.63 -1.92 -1.75 116.57 115.29 1q85 h LYS 329 Ca 0.04 0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.85 1q85 h LYS 329 Cb 0.74 0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.54 1q85 h LYS 329 CO -0.00 -0.53 0.02 1.25 -3.45 0.00 0.00 179.45 176.73 1q85 h LEU 330 N -1.17 0.42 -0.62 5.20 5.85 -1.32 -2.83 115.31 120.83 1q85 h LEU 330 Ca -0.09 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1q85 h LEU 330 Cb 0.69 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1q85 h LEU 330 CO 0.15 0.47 0.41 -0.25 -0.34 0.00 0.00 178.44 178.88 1q85 h TRP 331 N 0.44 0.79 -0.94 1.25 -0.00 -0.53 -2.82 115.95 114.14 1q85 h TRP 331 Ca 0.10 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 59.00 1q85 h TRP 331 Cb 0.27 -0.27 -0.05 0.00 -0.00 0.00 0.00 29.16 29.12 1q85 h TRP 331 CO 0.01 0.50 0.56 0.00 -0.00 0.00 0.00 178.44 179.51 1q85 h ALA 332 N 1.22 1.21 0.00 2.65 0.00 -1.06 -1.74 119.26 121.55 1q85 h ALA 332 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1q85 h ALA 332 Cb -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.32 1q85 h ALA 332 CO -0.05 0.67 0.00 0.39 0.00 0.00 0.00 179.25 180.26 1q85 n GLU 333 N -4.35 0.35 0.00 0.00 -0.58 -1.07 -1.69 120.64 113.31 1q85 n GLU 333 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1q85 n GLU 333 Cb 0.07 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1q85 n GLU 333 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1q85 n GLN 335 N 0.80 0.00 0.08 3.49 1.13 -0.65 0.11 117.38 122.34 1q85 n GLN 335 Ca 0.00 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.84 1q85 n GLN 335 Cb 0.17 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.37 1q85 n GLN 335 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1q85 h LYS 336 N 0.00 0.39 0.00 -1.09 5.09 -1.61 -3.45 116.57 115.89 1q85 h LYS 336 Ca 0.00 -0.66 0.00 0.00 0.09 0.00 0.00 60.65 60.08 1q85 h LYS 336 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 32.23 32.58 1q85 h LYS 336 CO 0.00 1.32 0.00 0.41 -2.09 0.00 0.00 179.45 179.09 1q85 n GLY 337 N 1.69 1.59 3.70 0.07 0.00 0.31 -5.05 105.19 107.50 1q85 n GLY 337 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1q85 n GLY 337 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1q85 s ASN 338 N -1.59 6.81 -0.26 1.61 3.84 0.24 -4.90 114.94 120.70 1q85 s ASN 338 Ca 0.00 2.25 0.01 0.00 0.21 0.00 0.00 52.86 55.33 1q85 s ASN 338 Cb 0.00 -2.57 -0.17 0.00 -0.55 0.00 0.00 41.25 37.96 1q85 s ASN 338 CO 0.00 -0.71 -0.23 -0.62 -2.79 0.00 0.00 177.10 172.75 1q85 n GLU 339 N 4.75 0.64 -0.28 0.43 1.02 -1.26 -4.47 120.64 121.48 1q85 n GLU 339 Ca 0.13 0.15 0.06 0.00 -0.02 0.00 0.00 57.16 57.48 1q85 n GLU 339 Cb 0.43 -1.51 0.17 0.00 -0.02 0.00 0.00 31.44 30.50 1q85 n GLU 339 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1q85 h GLU 340 N -0.04 0.06 -0.20 3.49 3.07 -1.98 0.13 114.58 119.11 1q85 h GLU 340 Ca -0.58 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.30 1q85 h GLU 340 Cb 1.88 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.75 1q85 h GLU 340 CO -0.10 0.04 0.03 0.97 -1.40 0.00 0.00 179.01 178.55 1q85 h ILE 341 N 0.07 0.90 -0.85 3.13 2.10 -2.00 0.21 117.51 121.06 1q85 h ILE 341 Ca 0.44 -0.04 -0.03 0.00 1.08 0.00 0.00 64.86 66.32 1q85 h ILE 341 Cb 0.79 0.79 -0.04 0.00 -1.09 0.00 0.00 36.82 37.26 1q85 h ILE 341 CO -0.75 0.02 0.43 0.58 -1.08 0.00 0.00 178.15 177.35 1q85 h VAL 342 N 0.10 1.26 -0.44 2.19 2.07 -1.30 -0.84 116.25 119.29 1q85 h VAL 342 Ca 0.09 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1q85 h VAL 342 Cb 0.09 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1q85 h VAL 342 CO -0.13 0.30 0.20 0.40 0.02 0.00 0.00 177.57 178.37 1q85 h ILE 343 N 1.21 1.19 -0.19 4.57 2.04 -0.21 -0.44 117.51 125.67 1q85 h ILE 343 Ca 0.30 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1q85 h ILE 343 Cb 0.09 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1q85 h ILE 343 CO -0.04 0.20 0.12 0.50 0.00 0.00 0.00 178.15 178.94 1q85 h LYS 344 N 0.57 0.26 0.00 2.37 3.64 -0.19 -1.78 116.57 121.44 1q85 h LYS 344 Ca 0.15 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1q85 h LYS 344 Cb 0.13 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1q85 h LYS 344 CO -0.02 0.19 -0.13 0.93 -2.27 0.00 0.00 179.45 178.15 1q85 h GLU 345 N 0.25 0.00 -0.01 1.90 4.39 -0.95 -2.59 114.58 117.57 1q85 h GLU 345 Ca 0.07 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1q85 h GLU 345 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1q85 h GLU 345 CO -0.01 0.13 -0.02 0.00 -1.16 0.00 0.00 179.01 177.94 1q85 h ALA 346 N 1.87 0.01 -0.77 3.43 0.00 -0.47 -3.17 119.26 120.17 1q85 h ALA 346 Ca -0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1q85 h ALA 346 Cb 0.24 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1q85 h ALA 346 CO 0.02 -0.15 0.33 0.87 0.00 0.00 0.00 179.25 180.31 1q85 h LYS 347 N -0.60 1.13 -0.60 0.00 1.57 -1.20 -2.66 116.57 114.21 1q85 h LYS 347 Ca -0.00 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1q85 h LYS 347 Cb 0.66 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1q85 h LYS 347 CO 0.01 0.90 0.35 1.15 -0.57 0.00 0.00 179.45 181.29 1q85 h THR 348 N 1.11 1.18 -0.62 -0.16 2.02 -1.57 0.26 112.91 115.14 1q85 h THR 348 Ca 0.26 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 1q85 h THR 348 Cb 0.18 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1q85 h THR 348 CO -0.03 0.19 0.05 1.56 0.37 0.00 0.00 175.52 177.66 1q85 h GLN 349 N 0.81 1.06 -0.52 6.66 4.20 -1.50 -0.97 115.11 124.86 1q85 h GLN 349 Ca 0.21 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 1q85 h GLN 349 Cb 0.00 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1q85 h GLN 349 CO -0.04 1.01 0.06 0.28 -0.67 0.00 0.00 178.83 179.47 1q85 h VAL 350 N 0.96 1.26 0.00 -0.54 2.07 -1.12 0.81 116.25 119.69 1q85 h VAL 350 Ca 0.18 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1q85 h VAL 350 Cb 0.50 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1q85 h VAL 350 CO 0.02 0.36 -0.01 -0.33 0.02 0.00 0.00 177.57 177.63 1q85 h GLU 351 N 0.75 0.00 -0.01 1.57 5.08 -0.18 -1.73 114.58 120.07 1q85 h GLU 351 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1q85 h GLU 351 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1q85 h GLU 351 CO 0.02 0.01 -0.29 1.63 -1.00 0.00 0.00 179.01 179.37 1q85 n LYS 352 N -3.12 1.16 0.00 2.33 4.76 -0.39 -4.94 118.16 117.96 1q85 n LYS 352 Ca -0.01 -0.82 0.00 0.00 -2.87 0.00 0.00 58.31 54.61 1q85 n LYS 352 Cb 0.19 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 1q85 n LYS 352 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q85 n GLY 353 N 1.35 1.16 3.69 0.72 0.00 -0.65 -4.94 105.19 106.53 1q85 n GLY 353 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1q85 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q85 s ALA 354 N -2.00 3.60 -0.11 4.61 0.00 0.18 -4.70 121.76 123.34 1q85 s ALA 354 Ca 0.00 0.92 0.22 0.00 0.00 0.00 0.00 51.96 53.09 1q85 s ALA 354 Cb 0.00 -3.61 -0.21 0.00 0.00 0.00 0.00 23.12 19.30 1q85 s ALA 354 CO 0.00 -0.95 0.67 0.39 0.00 0.00 0.00 175.76 175.87 1q85 n GLU 355 N 5.44 0.64 -4.23 0.00 1.02 -0.17 -4.25 120.64 119.09 1q85 n GLU 355 Ca 0.13 -0.06 -0.17 0.00 -0.02 0.00 0.00 57.16 57.04 1q85 n GLU 355 Cb 0.43 -1.64 -0.13 0.00 -0.02 0.00 0.00 31.44 30.08 1q85 n GLU 355 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1q85 s VAL 356 N -3.39 0.79 -0.11 2.62 1.01 -0.87 -4.06 120.40 116.39 1q85 s VAL 356 Ca -0.05 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1q85 s VAL 356 Cb 0.12 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1q85 s VAL 356 CO 0.86 -0.08 -0.20 -0.76 0.00 0.00 0.00 175.10 174.92 1q85 s LEU 357 N -1.03 2.32 0.15 3.92 1.43 -0.98 -0.11 118.68 124.39 1q85 s LEU 357 Ca -0.02 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.43 1q85 s LEU 357 Cb -0.07 -1.48 -0.07 0.00 0.03 0.00 0.00 46.19 44.59 1q85 s LEU 357 CO 0.01 0.17 0.63 -0.62 0.23 0.00 0.00 176.35 176.76 1q85 s ASP 358 N 0.31 7.01 -0.06 2.29 2.15 0.46 -0.43 116.67 128.40 1q85 s ASP 358 Ca -0.15 1.28 -0.01 0.00 0.43 0.00 0.00 52.55 54.10 1q85 s ASP 358 Cb -0.17 -2.37 0.03 0.00 -0.30 0.00 0.00 42.92 40.11 1q85 s ASP 358 CO 0.08 0.14 0.01 -0.69 -0.17 0.00 0.00 175.17 174.53 1q85 s VAL 359 N -1.36 0.27 0.08 1.11 1.01 -0.62 -4.10 120.40 116.80 1q85 s VAL 359 Ca 0.37 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.53 1q85 s VAL 359 Cb -0.17 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1q85 s VAL 359 CO 0.20 0.22 -0.10 0.21 0.00 0.00 0.00 175.10 175.64 1q85 s ASN 360 N 1.77 1.36 -0.13 3.32 2.47 -0.60 0.11 114.94 123.23 1q85 s ASN 360 Ca 0.01 -0.75 0.17 0.00 0.42 0.00 0.00 52.86 52.72 1q85 s ASN 360 Cb -0.13 0.01 0.28 0.00 -1.45 0.00 0.00 41.25 39.97 1q85 s ASN 360 CO -0.04 -0.24 1.15 0.49 -3.72 0.00 0.00 177.10 174.74 1q85 n PHE 361 N 0.79 0.00 0.00 0.43 3.01 -1.26 -4.45 117.46 115.98 1q85 n PHE 361 Ca -0.18 -0.98 0.00 0.00 1.01 0.00 0.00 57.45 57.30 1q85 n PHE 361 Cb 0.57 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 1q85 n PHE 361 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1q85 n GLY 362 N -1.33 4.32 3.53 1.37 0.00 -1.26 -3.91 105.19 107.90 1q85 n GLY 362 Ca 0.15 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1q85 n GLY 362 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q85 s ILE 363 N 0.00 4.14 0.55 -0.61 1.01 -1.26 -4.84 121.20 120.19 1q85 s ILE 363 Ca 0.00 -1.06 0.33 0.00 0.00 0.00 0.00 60.65 59.92 1q85 s ILE 363 Cb 0.00 -5.00 0.49 0.00 0.01 0.00 0.00 42.46 37.96 1q85 s ILE 363 CO 0.00 -1.84 1.85 -0.33 0.00 0.00 0.00 174.94 174.62 1q85 h GLU 364 N 9.39 0.00 0.00 2.79 5.08 -1.95 0.17 114.58 130.06 1q85 h GLU 364 Ca 0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1q85 h GLU 364 Cb 1.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1q85 h GLU 364 CO 1.35 0.00 -0.03 0.77 -1.00 0.00 0.00 179.01 180.11 1q85 h SER 365 N 0.00 0.00 -0.10 1.42 0.02 -1.92 -2.01 113.55 110.96 1q85 h SER 365 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1q85 h SER 365 Cb 1.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.40 1q85 h SER 365 CO -0.00 0.03 0.00 0.00 -1.14 0.00 0.00 176.83 175.71 1q85 n GLN 366 N -3.23 2.08 -4.70 3.45 1.13 0.61 -4.93 117.38 111.79 1q85 n GLN 366 Ca -0.02 -1.58 -0.33 0.00 -1.94 0.00 0.00 57.00 53.13 1q85 n GLN 366 Cb 0.19 -1.47 -0.12 0.00 0.11 0.00 0.00 30.24 28.95 1q85 n GLN 366 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1q85 s ILE 367 N -1.89 3.41 -0.10 5.09 -1.09 -0.76 -4.77 121.20 121.09 1q85 s ILE 367 Ca 0.33 -0.65 -0.29 0.00 -2.23 0.00 0.00 60.65 57.81 1q85 s ILE 367 Cb 0.20 -2.39 -0.04 0.00 -1.58 0.00 0.00 42.46 38.65 1q85 s ILE 367 CO 0.31 0.55 1.54 -0.62 -1.23 0.00 0.00 174.94 175.50 1q85 s ASP 368 N -0.90 6.71 0.21 3.58 3.68 -1.26 -4.92 116.67 123.77 1q85 s ASP 368 Ca 0.13 2.02 -0.10 0.00 2.13 0.00 0.00 52.55 56.73 1q85 s ASP 368 Cb -0.11 -2.53 0.29 0.00 -1.45 0.00 0.00 42.92 39.12 1q85 s ASP 368 CO 0.02 -0.92 1.70 0.58 0.13 0.00 0.00 175.17 176.69 1q85 h VAL 369 N 5.61 0.63 0.00 1.11 2.07 -1.98 0.16 116.25 123.86 1q85 h VAL 369 Ca -0.35 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1q85 h VAL 369 Cb 1.15 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1q85 h VAL 369 CO 0.96 0.05 0.00 -2.11 0.02 0.00 0.00 177.57 176.49 1q85 n ARG 370 N -5.13 0.39 -0.12 1.57 1.85 -1.26 -1.72 116.66 112.24 1q85 n ARG 370 Ca 0.09 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.71 1q85 n ARG 370 Cb 0.32 -1.16 -0.08 0.00 -1.05 0.00 0.00 32.46 30.49 1q85 n ARG 370 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 1q85 n TYR 371 N -0.66 0.30 0.27 2.89 4.19 0.57 -3.79 117.16 120.93 1q85 n TYR 371 Ca 0.03 0.13 0.13 0.00 3.31 0.00 0.00 57.90 61.49 1q85 n TYR 371 Cb 0.01 -0.91 0.78 0.00 0.49 0.00 0.00 39.34 39.71 1q85 n TYR 371 CO 0.00 0.00 0.00 -0.39 0.91 0.00 0.00 176.86 177.38 1q85 h VAL 372 N -1.00 0.63 -0.45 2.97 -1.51 -1.33 -0.05 116.25 115.51 1q85 h VAL 372 Ca -0.45 -0.30 -0.09 0.00 -1.23 0.00 0.00 66.70 64.63 1q85 h VAL 372 Cb 1.35 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 31.68 1q85 h VAL 372 CO -0.27 0.07 -0.08 -0.33 -1.23 0.00 0.00 177.57 175.73 1q85 h GLU 373 N 0.00 0.85 0.06 5.19 5.08 -1.50 -0.07 114.58 124.19 1q85 h GLU 373 Ca -0.00 -0.31 -0.24 0.00 -1.00 0.00 0.00 59.36 57.81 1q85 h GLU 373 Cb 0.18 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1q85 h GLU 373 CO 0.01 0.94 -1.08 1.57 -1.00 0.00 0.00 179.01 179.45 1q85 h LYS 374 N 0.69 0.23 0.36 2.33 2.10 -1.41 -2.77 116.57 118.10 1q85 h LYS 374 Ca 0.12 -0.33 -0.02 0.00 -2.00 0.00 0.00 60.65 58.42 1q85 h LYS 374 Cb 0.61 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 1q85 h LYS 374 CO 0.04 1.11 -0.19 0.82 -2.00 0.00 0.00 179.45 179.23 1q85 h ILE 375 N 0.09 0.61 -0.46 0.07 1.08 -0.94 1.07 117.51 119.03 1q85 h ILE 375 Ca -0.09 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.50 1q85 h ILE 375 Cb 1.78 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 36.11 1q85 h ILE 375 CO 0.17 0.00 0.33 0.58 -0.69 0.00 0.00 178.15 178.54 1q85 h VAL 376 N -0.51 0.82 0.17 1.67 2.07 -1.06 -1.92 116.25 117.49 1q85 h VAL 376 Ca -0.05 -0.04 -0.33 0.00 0.82 0.00 0.00 66.70 67.11 1q85 h VAL 376 Cb 0.40 0.70 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1q85 h VAL 376 CO 0.07 0.02 -1.61 -0.61 0.02 0.00 0.00 177.57 175.46 1q85 h GLN 377 N 0.11 0.36 0.13 1.57 4.15 -1.00 -3.41 115.11 117.02 1q85 h GLN 377 Ca 0.22 -0.62 -0.01 0.00 0.77 0.00 0.00 58.65 59.02 1q85 h GLN 377 Cb 0.72 0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.64 1q85 h GLN 377 CO -0.02 1.26 -0.06 1.15 -1.93 0.00 0.00 178.83 179.22 1q85 h THR 378 N 0.10 0.94 -0.80 2.39 2.02 0.19 -3.38 112.91 114.36 1q85 h THR 378 Ca -0.29 -1.24 0.16 0.00 0.77 0.00 0.00 66.41 65.82 1q85 h THR 378 Cb 2.08 1.60 -0.15 0.00 -1.74 0.00 0.00 68.15 69.93 1q85 h THR 378 CO 0.19 0.25 -0.21 -0.07 0.37 0.00 0.00 175.52 176.05 1q85 h LEU 379 N -0.85 -0.79 -2.04 2.58 3.38 -1.60 0.10 115.31 116.08 1q85 h LEU 379 Ca -0.02 0.24 0.13 0.00 0.09 0.00 0.00 57.88 58.32 1q85 h LEU 379 Cb 0.54 0.51 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1q85 h LEU 379 CO 0.03 -0.27 0.36 -0.65 0.09 0.00 0.00 178.44 178.00 1q85 h PRO 380 N -0.01 0.00 0.04 1.13 0.11 -1.75 0.14 132.00 131.67 1q85 h PRO 380 Ca 0.38 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.27 1q85 h PRO 380 Cb 0.59 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 1q85 h PRO 380 CO -0.83 0.00 -1.14 1.88 -0.21 0.00 0.00 178.00 177.70 1q85 h TYR 381 N 0.00 0.16 -0.01 0.65 -1.99 -1.02 -2.67 116.97 112.09 1q85 h TYR 381 Ca 0.21 -0.11 -0.21 0.00 2.00 0.00 0.00 58.73 60.61 1q85 h TYR 381 Cb 0.92 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.64 1q85 h TYR 381 CO 0.00 1.45 -0.90 -0.39 -0.00 0.00 0.00 178.16 178.32 1q85 h VAL 382 N -0.73 1.43 0.00 -2.88 -1.51 -1.13 -3.28 116.25 108.15 1q85 h VAL 382 Ca -0.28 -2.46 0.00 0.00 -1.23 0.00 0.00 66.70 62.73 1q85 h VAL 382 Cb 1.43 2.39 0.00 0.00 -2.13 0.00 0.00 31.29 32.98 1q85 h VAL 382 CO -0.08 0.73 -1.32 -1.54 -1.23 0.00 0.00 177.57 174.13 1q85 n SER 383 N -3.73 0.50 0.00 4.19 3.41 0.48 -4.95 113.62 113.52 1q85 n SER 383 Ca -0.05 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1q85 n SER 383 Cb 0.81 1.11 0.00 0.00 -0.26 0.00 0.00 64.21 65.87 1q85 n SER 383 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1q85 n ASN 384 N -2.15 -1.05 -4.62 4.04 4.13 -1.01 -4.96 115.26 109.65 1q85 n ASN 384 Ca -0.00 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.00 1q85 n ASN 384 Cb 0.49 -1.54 -0.08 0.00 -1.54 0.00 0.00 39.78 37.10 1q85 n ASN 384 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1q85 s VAL 385 N -2.15 3.45 1.20 2.41 -7.23 -1.25 -4.11 120.40 112.71 1q85 s VAL 385 Ca 0.00 -1.63 -0.15 0.00 -1.81 0.00 0.00 61.98 58.40 1q85 s VAL 385 Cb 0.00 -2.75 0.29 0.00 0.56 0.00 0.00 36.38 34.48 1q85 s VAL 385 CO 0.00 -0.17 1.02 -2.84 -0.31 0.00 0.00 175.10 172.80 1q85 s PRO 386 N -3.06 -1.20 0.14 4.82 0.02 -1.26 -4.30 135.00 130.16 1q85 s PRO 386 Ca 0.27 0.62 0.08 0.00 0.02 0.00 0.00 61.00 61.99 1q85 s PRO 386 Cb -0.08 -1.54 -0.04 0.00 0.02 0.00 0.00 34.50 32.86 1q85 s PRO 386 CO 0.17 -3.85 -0.17 -0.51 -0.33 0.00 0.00 177.00 172.31 1q85 s LEU 387 N -7.25 2.41 -0.35 -5.54 1.43 -1.26 -2.31 118.68 105.80 1q85 s LEU 387 Ca 0.68 -0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1q85 s LEU 387 Cb -0.22 -0.75 0.08 0.00 0.03 0.00 0.00 46.19 45.33 1q85 s LEU 387 CO 0.63 -0.05 0.10 -0.55 0.23 0.00 0.00 176.35 176.70 1q85 s SER 388 N -2.49 5.07 -0.52 2.29 0.15 0.43 -2.36 113.70 116.27 1q85 s SER 388 Ca 0.12 -1.63 -0.28 0.00 0.70 0.00 0.00 55.95 54.86 1q85 s SER 388 Cb -0.06 -1.77 0.01 0.00 -1.71 0.00 0.00 66.02 62.49 1q85 s SER 388 CO 0.05 -0.39 1.44 -0.76 1.20 0.00 0.00 173.24 174.78 1q85 s LEU 389 N 1.20 3.45 -1.11 3.45 1.43 0.46 -1.59 118.68 125.97 1q85 s LEU 389 Ca 0.02 0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 1q85 s LEU 389 Cb -0.21 -3.18 0.23 0.00 0.03 0.00 0.00 46.19 43.05 1q85 s LEU 389 CO -0.03 -1.66 1.19 -0.62 0.23 0.00 0.00 176.35 175.47 1q85 s ASP 390 N 4.46 7.14 -0.05 2.29 -1.08 0.12 -0.37 116.67 129.17 1q85 s ASP 390 Ca 0.56 -3.20 0.01 0.00 -0.52 0.00 0.00 52.55 49.40 1q85 s ASP 390 Cb -0.12 -2.29 0.02 0.00 -1.46 0.00 0.00 42.92 39.07 1q85 s ASP 390 CO 0.27 -0.52 -0.06 -0.63 0.52 0.00 0.00 175.17 174.75 1q85 s ILE 391 N 0.10 0.71 -0.20 4.11 1.01 -1.26 -4.14 121.20 121.53 1q85 s ILE 391 Ca 0.34 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.62 1q85 s ILE 391 Cb -0.07 -0.70 -0.20 0.00 0.01 0.00 0.00 42.46 41.49 1q85 s ILE 391 CO -0.05 0.27 0.15 0.00 0.00 0.00 0.00 174.94 175.30 1q85 n GLN 392 N 4.05 0.63 -1.63 2.79 6.02 -1.26 -4.86 117.38 123.12 1q85 n GLN 392 Ca -0.23 0.42 -0.43 0.00 -0.01 0.00 0.00 57.00 56.75 1q85 n GLN 392 Cb 0.51 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 30.05 1q85 n GLN 392 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1q85 s ASN 393 N -6.98 5.75 0.45 1.08 3.04 -1.26 -4.84 114.94 112.17 1q85 s ASN 393 Ca -0.29 2.12 0.18 0.00 0.04 0.00 0.00 52.86 54.90 1q85 s ASN 393 Cb 0.08 -2.52 1.12 0.00 -1.54 0.00 0.00 41.25 38.39 1q85 s ASN 393 CO 0.63 -1.69 1.93 1.62 -3.04 0.00 0.00 177.10 176.54 1q85 h VAL 394 N 6.70 0.78 0.50 -5.21 3.04 -1.99 -1.36 116.25 118.70 1q85 h VAL 394 Ca -0.43 -0.11 -0.02 0.00 -1.01 0.00 0.00 66.70 65.12 1q85 h VAL 394 Cb 1.24 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1q85 h VAL 394 CO 0.96 0.06 -0.24 0.44 -1.01 0.00 0.00 177.57 177.78 1q85 h ASP 395 N 0.33 -0.57 0.11 3.17 3.32 -2.00 -2.43 116.42 118.36 1q85 h ASP 395 Ca 0.35 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 1q85 h ASP 395 Cb 0.90 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 1q85 h ASP 395 CO -0.10 -0.33 -0.03 0.25 -1.72 0.00 0.00 179.24 177.31 1q85 h LEU 396 N -0.77 0.00 -0.13 1.55 7.12 -1.80 -2.77 115.31 118.50 1q85 h LEU 396 Ca -0.07 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.92 1q85 h LEU 396 Cb 0.56 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.69 1q85 h LEU 396 CO 0.11 0.03 -0.02 0.74 -0.13 0.00 0.00 178.44 179.18 1q85 h THR 397 N 0.00 1.28 -0.76 1.05 2.02 -0.81 -2.18 112.91 113.50 1q85 h THR 397 Ca -0.00 -0.91 -0.05 0.00 0.77 0.00 0.00 66.41 66.22 1q85 h THR 397 Cb 0.10 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1q85 h THR 397 CO 0.00 0.26 0.29 -0.08 0.37 0.00 0.00 175.52 176.37 1q85 h GLU 398 N -0.05 1.15 -0.16 6.66 4.81 -1.18 -0.25 114.58 125.55 1q85 h GLU 398 Ca 0.03 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1q85 h GLU 398 Cb 0.42 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1q85 h GLU 398 CO 0.01 0.94 0.01 0.00 -0.73 0.00 0.00 179.01 179.24 1q85 h ARG 399 N 1.12 0.06 -0.52 1.92 2.47 -1.48 -1.20 114.38 116.76 1q85 h ARG 399 Ca 0.25 -0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.92 1q85 h ARG 399 Cb 0.24 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 1q85 h ARG 399 CO -0.02 0.04 0.12 0.00 0.56 0.00 0.00 179.97 180.67 1q85 h ALA 400 N 1.13 0.68 -0.72 0.04 0.00 -1.11 -2.77 119.26 116.50 1q85 h ALA 400 Ca 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1q85 h ALA 400 Cb 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1q85 h ALA 400 CO -0.12 0.39 0.36 -0.07 0.00 0.00 0.00 179.25 179.80 1q85 h LEU 401 N 0.72 0.94 -0.49 0.00 -0.00 -0.76 -2.30 115.31 113.41 1q85 h LEU 401 Ca 0.16 -0.13 -0.17 0.00 -0.00 0.00 0.00 57.88 57.75 1q85 h LEU 401 Cb 0.35 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 1q85 h LEU 401 CO 0.00 0.80 -0.73 0.08 -0.00 0.00 0.00 178.44 178.59 1q85 h ARG 402 N 1.01 0.19 -0.29 1.13 0.11 -1.19 -3.24 114.38 112.10 1q85 h ARG 402 Ca 0.25 -0.16 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1q85 h ARG 402 Cb 0.10 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.22 1q85 h ARG 402 CO -0.03 0.84 0.00 0.00 0.10 0.00 0.00 179.97 180.87 1q85 n ALA 403 N -2.46 2.47 -2.65 0.08 0.00 -1.05 -4.91 120.51 112.00 1q85 n ALA 403 Ca -0.03 -0.72 -0.42 0.00 0.00 0.00 0.00 53.44 52.28 1q85 n ALA 403 Cb 0.70 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.11 1q85 n ALA 403 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1q85 s TYR 404 N -1.63 3.33 -1.04 0.00 6.14 -0.87 -4.40 117.35 118.87 1q85 s TYR 404 Ca 0.34 1.15 -0.23 0.00 0.64 0.00 0.00 57.07 58.97 1q85 s TYR 404 Cb 0.19 -3.03 -0.01 0.00 0.42 0.00 0.00 41.96 39.52 1q85 s TYR 404 CO 0.27 -0.37 1.78 -1.25 0.64 0.00 0.00 175.55 176.62 1q85 s PRO 405 N 2.69 3.01 0.00 4.97 0.04 -1.26 -4.78 135.00 139.67 1q85 s PRO 405 Ca 0.35 -0.91 0.00 0.00 0.04 0.00 0.00 61.00 60.48 1q85 s PRO 405 Cb -0.15 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1q85 s PRO 405 CO 0.08 -3.03 0.00 0.41 0.04 0.00 0.00 177.00 174.50 1q85 n GLY 406 N 6.48 0.55 3.45 0.56 0.00 -1.26 -3.76 105.19 111.21 1q85 n GLY 406 Ca 0.40 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 1q85 n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q85 s ARG 407 N -0.66 2.97 0.56 1.61 3.52 -1.23 -4.87 118.95 120.84 1q85 s ARG 407 Ca 0.00 -1.06 0.03 0.00 -0.13 0.00 0.00 55.73 54.57 1q85 s ARG 407 Cb 0.00 -4.00 0.11 0.00 -1.56 0.00 0.00 34.95 29.50 1q85 s ARG 407 CO 0.00 -0.78 0.77 -1.13 -0.81 0.00 0.00 175.30 173.35 1q85 n SER 408 N 5.16 1.35 -4.13 -2.12 3.41 -1.26 0.29 113.62 116.32 1q85 n SER 408 Ca -0.11 -2.07 -0.33 0.00 -0.26 0.00 0.00 58.87 56.10 1q85 n SER 408 Cb 0.47 -0.47 -0.16 0.00 -0.26 0.00 0.00 64.21 63.78 1q85 n SER 408 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1q85 s LEU 409 N 0.00 2.12 -0.17 1.04 2.96 -1.00 0.37 118.68 124.01 1q85 s LEU 409 Ca 0.54 -0.64 -0.20 0.00 -0.22 0.00 0.00 54.13 53.60 1q85 s LEU 409 Cb -0.03 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 1q85 s LEU 409 CO 0.35 0.01 0.60 0.12 -1.32 0.00 0.00 176.35 176.11 1q85 s PHE 410 N 1.22 3.41 -0.11 5.38 5.36 0.21 -0.41 117.98 133.05 1q85 s PHE 410 Ca 0.03 0.93 -0.30 0.00 -0.96 0.00 0.00 56.93 56.64 1q85 s PHE 410 Cb -0.13 -2.75 -0.02 0.00 -0.34 0.00 0.00 43.02 39.78 1q85 s PHE 410 CO -0.11 -0.09 1.12 1.21 -1.46 0.00 0.00 175.22 175.88 1q85 s ASN 411 N 1.08 7.11 0.42 6.13 3.84 0.50 -0.89 114.94 133.12 1q85 s ASN 411 Ca 0.29 1.64 0.00 0.00 0.21 0.00 0.00 52.86 55.00 1q85 s ASN 411 Cb -0.16 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 37.99 1q85 s ASN 411 CO 0.11 -0.57 0.00 -1.54 -2.79 0.00 0.00 177.10 172.31 1q85 n SER 412 N 5.47 -8.08 -3.15 -4.21 3.41 -1.14 -4.53 113.62 101.39 1q85 n SER 412 Ca 0.11 1.25 0.04 0.00 -0.26 0.00 0.00 58.87 60.01 1q85 n SER 412 Cb 0.47 -4.75 -0.00 0.00 -0.26 0.00 0.00 64.21 59.66 1q85 n SER 412 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q85 s ALA 413 N -2.72 -2.60 1.00 7.33 0.00 -0.73 -4.88 121.76 119.16 1q85 s ALA 413 Ca 0.00 1.34 -0.11 0.00 0.00 0.00 0.00 51.96 53.18 1q85 s ALA 413 Cb 0.00 -2.47 0.19 0.00 0.00 0.00 0.00 23.12 20.85 1q85 s ALA 413 CO 0.00 -1.70 1.09 0.15 0.00 0.00 0.00 175.76 175.30 1q85 s LYS 414 N 2.86 0.34 -1.29 0.00 1.02 -1.26 -2.55 119.74 118.87 1q85 s LYS 414 Ca 0.14 1.14 -0.12 0.00 0.02 0.00 0.00 55.97 57.16 1q85 s LYS 414 Cb -0.11 -1.68 -0.06 0.00 -0.52 0.00 0.00 37.83 35.47 1q85 s LYS 414 CO -0.23 -2.96 2.42 0.28 -0.92 0.00 0.00 175.35 173.94 1q85 n VAL 415 N -4.42 3.28 -4.04 3.17 0.31 -1.22 -4.58 118.33 110.83 1q85 n VAL 415 Ca 0.07 -2.26 -0.32 0.00 -0.01 0.00 0.00 64.34 61.83 1q85 n VAL 415 Cb 0.53 -2.45 -0.15 0.00 -0.91 0.00 0.00 33.84 30.86 1q85 n VAL 415 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1q85 s ASP 416 N 3.14 4.31 0.12 4.52 2.15 -1.26 -4.80 116.67 124.86 1q85 s ASP 416 Ca 0.55 -1.36 -0.11 0.00 0.43 0.00 0.00 52.55 52.06 1q85 s ASP 416 Cb 0.15 -1.46 0.10 0.00 -0.30 0.00 0.00 42.92 41.41 1q85 s ASP 416 CO -0.03 -0.20 0.85 -0.62 -0.17 0.00 0.00 175.17 174.99 1q85 n GLU 417 N 4.49 -0.15 0.01 4.34 -0.58 -1.26 -0.79 120.64 126.70 1q85 n GLU 417 Ca -0.13 0.84 -0.13 0.00 -0.42 0.00 0.00 57.16 57.32 1q85 n GLU 417 Cb 0.42 -1.24 -0.09 0.00 -0.57 0.00 0.00 31.44 29.96 1q85 n GLU 417 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1q85 h GLU 418 N 0.00 -0.05 -0.67 3.49 5.08 -1.97 -2.78 114.58 117.68 1q85 h GLU 418 Ca 0.17 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1q85 h GLU 418 Cb 0.31 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 1q85 h GLU 418 CO -0.54 0.35 0.44 1.49 -1.00 0.00 0.00 179.01 179.75 1q85 h GLU 419 N -0.45 0.71 0.07 2.33 4.81 -1.42 -3.01 114.58 117.62 1q85 h GLU 419 Ca -0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1q85 h GLU 419 Cb 0.41 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1q85 h GLU 419 CO 0.01 0.47 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.66 1q85 h LEU 420 N 0.73 -0.08 -1.78 1.64 3.38 -0.96 -1.59 115.31 116.65 1q85 h LEU 420 Ca 0.28 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1q85 h LEU 420 Cb 0.19 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1q85 h LEU 420 CO -0.09 0.37 0.00 1.21 0.09 0.00 0.00 178.44 180.02 1q85 n GLU 421 N -4.92 0.00 0.00 1.13 2.13 -1.05 0.19 120.64 118.11 1q85 n GLU 421 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 1q85 n GLU 421 Cb 0.24 -1.22 0.00 0.00 0.27 0.00 0.00 31.44 30.73 1q85 n GLU 421 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1q85 n LYS 423 N 0.77 0.00 -0.10 5.31 4.81 -0.60 -1.43 118.16 126.91 1q85 n LYS 423 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1q85 n LYS 423 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1q85 n LYS 423 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1q85 h ILE 424 N 0.00 1.14 -0.71 3.15 2.04 0.17 -2.51 117.51 120.79 1q85 h ILE 424 Ca 0.00 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 1q85 h ILE 424 Cb 0.00 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1q85 h ILE 424 CO 0.00 0.15 0.25 0.78 0.00 0.00 0.00 178.15 179.32 1q85 h ASN 425 N 0.41 1.00 -0.73 1.72 2.35 -1.44 0.11 115.58 119.00 1q85 h ASN 425 Ca 0.12 -0.17 0.08 0.00 -0.55 0.00 0.00 56.30 55.77 1q85 h ASN 425 Cb 0.07 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.12 1q85 h ASN 425 CO -0.02 0.92 0.40 -0.07 -1.65 0.00 0.00 177.43 177.01 1q85 h LEU 426 N 1.05 0.58 -0.61 1.61 3.38 -1.73 -0.88 115.31 118.71 1q85 h LEU 426 Ca 0.24 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.11 1q85 h LEU 426 Cb 0.25 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1q85 h LEU 426 CO -0.01 0.35 -0.63 -0.07 0.09 0.00 0.00 178.44 178.17 1q85 h LEU 427 N 0.71 0.00 -1.39 1.67 3.38 -0.99 -2.07 115.31 116.62 1q85 h LEU 427 Ca 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1q85 h LEU 427 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1q85 h LEU 427 CO -0.22 0.63 -0.08 0.11 0.09 0.00 0.00 178.44 178.97 1q85 h LYS 428 N 0.00 0.00 0.05 1.13 1.57 0.53 0.64 116.57 120.49 1q85 h LYS 428 Ca -0.01 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 1q85 h LYS 428 Cb 1.20 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 1q85 h LYS 428 CO 0.08 0.08 -2.23 1.17 -0.57 0.00 0.00 179.45 177.98 1q85 n LYS 429 N -3.22 0.69 0.00 3.15 4.81 -0.64 -4.51 118.16 118.44 1q85 n LYS 429 Ca 0.00 0.22 0.09 0.00 -0.87 0.00 0.00 58.31 57.75 1q85 n LYS 429 Cb 0.34 -1.61 0.01 0.00 0.02 0.00 0.00 35.03 33.79 1q85 n LYS 429 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1q85 n TYR 430 N -3.46 0.00 -0.01 5.64 4.01 -0.79 -4.77 117.16 117.78 1q85 n TYR 430 Ca -0.40 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 1q85 n TYR 430 Cb 0.99 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 40.02 1q85 n TYR 430 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1q85 n GLY 431 N 1.22 -2.48 0.00 2.72 0.00 0.22 -4.87 105.19 102.01 1q85 n GLY 431 Ca 0.08 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1q85 n GLY 431 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q85 n GLY 432 N -2.12 1.93 3.63 -0.02 0.00 -1.25 -4.69 105.19 102.67 1q85 n GLY 432 Ca -0.00 -2.06 -0.24 0.00 0.00 0.00 0.00 46.02 43.72 1q85 n GLY 432 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q85 s THR 433 N -1.52 2.83 -0.05 2.61 -4.23 0.16 -4.93 115.64 110.52 1q85 s THR 433 Ca 0.00 -1.98 0.04 0.00 -1.18 0.00 0.00 61.69 58.58 1q85 s THR 433 Cb 0.00 -2.78 -0.00 0.00 1.34 0.00 0.00 72.50 71.06 1q85 s THR 433 CO 0.00 -0.26 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.43 1q85 s LEU 434 N -3.70 1.90 -0.34 4.79 2.96 0.25 0.68 118.68 125.22 1q85 s LEU 434 Ca 0.34 -0.35 -0.21 0.00 -0.22 0.00 0.00 54.13 53.68 1q85 s LEU 434 Cb -0.02 -0.96 0.00 0.00 0.50 0.00 0.00 46.19 45.71 1q85 s LEU 434 CO 0.19 0.14 0.69 -0.63 -1.32 0.00 0.00 176.35 175.43 1q85 s ILE 435 N 0.08 4.85 -0.48 6.68 -1.09 -0.07 -1.68 121.20 129.49 1q85 s ILE 435 Ca -0.05 0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 59.02 1q85 s ILE 435 Cb -0.12 -4.10 0.08 0.00 -1.58 0.00 0.00 42.46 36.74 1q85 s ILE 435 CO 0.02 -0.30 0.41 -0.69 -1.23 0.00 0.00 174.94 173.16 1q85 s VAL 436 N 2.82 5.22 -0.47 2.92 1.01 -0.49 -1.78 120.40 129.63 1q85 s VAL 436 Ca 0.27 -1.09 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 1q85 s VAL 436 Cb -0.14 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.11 1q85 s VAL 436 CO 0.14 -0.61 1.21 -0.22 0.00 0.00 0.00 175.10 175.62 1q85 s LEU 437 N 1.67 3.60 -0.62 3.92 2.96 -1.06 -2.05 118.68 127.10 1q85 s LEU 437 Ca 0.04 0.52 -0.26 0.00 -0.22 0.00 0.00 54.13 54.21 1q85 s LEU 437 Cb -0.25 -3.52 -0.08 0.00 0.50 0.00 0.00 46.19 42.85 1q85 s LEU 437 CO 0.06 -1.32 2.27 -0.76 -1.32 0.00 0.00 176.35 175.29 1q85 s LEU 438 N 4.74 3.23 0.00 -0.68 1.43 -0.86 -3.44 118.68 123.10 1q85 s LEU 438 Ca 0.51 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1q85 s LEU 438 Cb -0.09 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.61 1q85 s LEU 438 CO 0.32 -3.03 0.00 0.61 0.23 0.00 0.00 176.35 174.47 1q85 n GLY 440 N 6.22 -0.23 0.24 -3.19 0.00 -1.26 -4.74 105.19 102.23 1q85 n GLY 440 Ca 0.37 0.45 -0.03 0.00 0.00 0.00 0.00 46.02 46.81 1q85 n GLY 440 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q85 h LYS 441 N 0.00 -0.04 -5.15 1.61 1.79 -2.02 -3.42 116.57 109.34 1q85 h LYS 441 Ca 0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 1q85 h LYS 441 Cb 0.00 0.01 -0.17 0.00 -1.58 0.00 0.00 32.23 30.49 1q85 h LYS 441 CO 0.00 -0.03 -0.73 0.34 -1.08 0.00 0.00 179.45 177.95 1q85 s ASP 442 N -5.20 1.76 -0.59 0.86 2.15 -1.26 -5.11 116.67 109.28 1q85 s ASP 442 Ca -0.14 -0.88 -0.27 0.00 0.43 0.00 0.00 52.55 51.68 1q85 s ASP 442 Cb 0.17 -0.02 0.03 0.00 -0.30 0.00 0.00 42.92 42.80 1q85 s ASP 442 CO 0.72 -0.25 1.13 -0.69 -0.17 0.00 0.00 175.17 175.92 1q85 s VAL 443 N -2.67 4.09 0.23 1.11 1.01 -1.26 -5.01 120.40 117.91 1q85 s VAL 443 Ca 0.11 0.68 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 1q85 s VAL 443 Cb -0.02 -4.70 -0.09 0.00 0.00 0.00 0.00 36.38 31.57 1q85 s VAL 443 CO 0.01 -1.33 1.30 -2.84 0.00 0.00 0.00 175.10 172.24 1q85 s PRO 444 N 4.76 4.39 -0.28 2.72 0.02 -1.26 -4.94 135.00 140.42 1q85 s PRO 444 Ca 0.39 2.08 -0.11 0.00 0.02 0.00 0.00 61.00 63.38 1q85 s PRO 444 Cb -0.09 -3.16 -0.13 0.00 0.02 0.00 0.00 34.50 31.14 1q85 s PRO 444 CO 0.23 -0.21 -0.33 1.63 -0.33 0.00 0.00 177.00 177.99 1q85 n LYS 445 N 2.13 0.60 -0.87 5.54 4.01 -1.26 -4.89 118.16 123.43 1q85 n LYS 445 Ca 0.04 0.24 -0.32 0.00 -0.51 0.00 0.00 58.31 57.76 1q85 n LYS 445 Cb 0.43 -1.50 0.14 0.00 -0.51 0.00 0.00 35.03 33.59 1q85 n LYS 445 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1q85 n SER 446 N -4.07 0.11 -0.03 4.39 2.88 -1.26 -4.85 113.62 110.78 1q85 n SER 446 Ca -0.53 0.47 -0.14 0.00 -1.33 0.00 0.00 58.87 57.34 1q85 n SER 446 Cb 0.91 -1.43 -0.11 0.00 -0.75 0.00 0.00 64.21 62.82 1q85 n SER 446 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1q85 h PHE 447 N -1.44 0.11 -0.01 0.66 3.57 -1.95 -2.99 116.94 114.89 1q85 h PHE 447 Ca -0.44 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1q85 h PHE 447 Cb 1.29 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 1q85 h PHE 447 CO 0.46 0.79 0.04 0.93 -2.23 0.00 0.00 178.31 178.30 1q85 h GLU 448 N -0.59 0.00 0.15 1.11 3.07 -1.94 -0.33 114.58 116.04 1q85 h GLU 448 Ca -0.01 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.57 1q85 h GLU 448 Cb 0.81 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.75 1q85 h GLU 448 CO 0.02 0.00 -1.21 0.93 -1.40 0.00 0.00 179.01 177.35 1q85 h GLU 449 N 0.00 0.55 0.00 2.33 5.08 -1.92 -2.47 114.58 118.16 1q85 h GLU 449 Ca 0.01 -0.80 -0.08 0.00 -1.00 0.00 0.00 59.36 57.49 1q85 h GLU 449 Cb 0.08 0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1q85 h GLU 449 CO -0.00 1.36 -0.39 0.00 -1.00 0.00 0.00 179.01 178.98 1q85 h ARG 450 N 0.13 0.00 -0.57 2.33 3.08 -1.10 -2.33 114.38 115.92 1q85 h ARG 450 Ca -0.19 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.76 1q85 h ARG 450 Cb 1.91 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.94 1q85 h ARG 450 CO 0.23 0.39 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.28 1q85 h LYS 451 N 0.00 1.03 -0.18 0.04 3.64 -1.06 0.38 116.57 120.43 1q85 h LYS 451 Ca -0.00 -0.34 -0.14 0.00 -1.27 0.00 0.00 60.65 58.89 1q85 h LYS 451 Cb 0.73 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1q85 h LYS 451 CO 0.05 1.03 -0.50 1.05 -2.27 0.00 0.00 179.45 178.82 1q85 h GLU 452 N 0.92 0.48 0.00 1.90 4.11 -1.19 -2.11 114.58 118.68 1q85 h GLU 452 Ca 0.16 -0.28 -0.06 0.00 0.07 0.00 0.00 59.36 59.25 1q85 h GLU 452 Cb 0.59 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1q85 h GLU 452 CO 0.04 0.87 -0.29 1.88 0.07 0.00 0.00 179.01 181.57 1q85 h TYR 453 N 0.38 0.00 -0.19 2.06 0.99 -1.07 -1.19 116.97 117.95 1q85 h TYR 453 Ca 0.02 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.63 1q85 h TYR 453 Cb 1.01 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.74 1q85 h TYR 453 CO 0.04 0.29 -0.33 0.35 -0.00 0.00 0.00 178.16 178.51 1q85 h PHE 454 N 0.00 0.70 -0.45 4.88 3.57 -0.38 -2.19 116.94 123.07 1q85 h PHE 454 Ca -0.00 -0.25 -0.05 0.00 3.53 0.00 0.00 57.97 61.20 1q85 h PHE 454 Cb 0.60 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1q85 h PHE 454 CO 0.00 0.98 0.10 0.93 -2.23 0.00 0.00 178.31 178.09 1q85 h GLU 455 N 0.23 0.73 0.81 1.11 3.07 -1.04 -0.30 114.58 119.18 1q85 h GLU 455 Ca 0.01 -0.18 -0.04 0.00 -0.50 0.00 0.00 59.36 58.65 1q85 h GLU 455 Cb 0.92 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.74 1q85 h GLU 455 CO 0.08 0.74 -0.49 -0.22 -1.40 0.00 0.00 179.01 177.71 1q85 h LYS 456 N 0.60 -1.17 -0.81 2.33 3.64 -1.23 0.72 116.57 120.65 1q85 h LYS 456 Ca 0.14 0.08 0.13 0.00 -1.27 0.00 0.00 60.65 59.73 1q85 h LYS 456 Cb 0.34 0.27 -0.09 0.00 -0.41 0.00 0.00 32.23 32.34 1q85 h LYS 456 CO 0.00 -0.78 0.41 0.00 -2.27 0.00 0.00 179.45 176.82 1q85 h ALA 457 N -1.15 1.19 -0.53 5.00 0.00 -1.39 0.31 119.26 122.69 1q85 h ALA 457 Ca -0.11 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1q85 h ALA 457 Cb 0.97 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1q85 h ALA 457 CO 0.11 -0.07 0.31 1.25 0.00 0.00 0.00 179.25 180.85 1q85 h LEU 458 N 0.62 0.48 -0.32 0.00 6.46 -0.68 0.18 115.31 122.04 1q85 h LEU 458 Ca 0.43 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.22 1q85 h LEU 458 Cb 0.57 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 1q85 h LEU 458 CO -0.34 0.33 0.18 0.11 -0.62 0.00 0.00 178.44 178.11 1q85 h LYS 459 N 0.60 0.36 0.14 1.25 1.57 0.11 -1.62 116.57 118.99 1q85 h LYS 459 Ca 0.22 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1q85 h LYS 459 Cb 0.06 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1q85 h LYS 459 CO -0.12 0.24 -0.07 0.82 -0.57 0.00 0.00 179.45 179.75 1q85 h ILE 460 N 0.38 0.88 -0.27 1.86 2.04 -0.57 -2.14 117.51 119.68 1q85 h ILE 460 Ca 0.13 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 65.99 1q85 h ILE 460 Cb 0.01 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1q85 h ILE 460 CO -0.07 0.02 0.27 -0.07 0.00 0.00 0.00 178.15 178.30 1q85 h LEU 461 N -0.23 0.00 -0.03 1.44 4.07 -0.47 -0.77 115.31 119.33 1q85 h LEU 461 Ca -0.02 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.74 1q85 h LEU 461 Cb 0.18 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.93 1q85 h LEU 461 CO 0.03 0.00 -0.78 -0.33 -1.08 0.00 0.00 178.44 176.29 1q85 h GLU 462 N 0.00 0.58 0.00 1.13 4.39 -0.68 0.19 114.58 120.18 1q85 h GLU 462 Ca 0.13 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1q85 h GLU 462 Cb 0.66 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1q85 h GLU 462 CO -0.00 1.20 0.00 0.00 -1.16 0.00 0.00 179.01 179.05 1q85 h ARG 463 N 0.18 0.00 -0.05 2.33 3.08 -0.58 -1.19 114.38 118.15 1q85 h ARG 463 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1q85 h ARG 463 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.50 1q85 h ARG 463 CO 0.15 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.77 1q85 n HIS 464 N -2.94 0.11 -3.95 3.04 8.25 -1.00 -5.01 115.22 113.73 1q85 n HIS 464 Ca -0.02 -0.71 -0.31 0.00 -0.26 0.00 0.00 57.72 56.42 1q85 n HIS 464 Cb 0.13 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 1q85 n HIS 464 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1q85 n ASP 465 N -0.75 -1.92 0.00 0.41 4.64 -0.07 -4.80 116.55 114.07 1q85 n ASP 465 Ca 0.09 -0.95 0.00 0.00 -1.38 0.00 0.00 54.79 52.54 1q85 n ASP 465 Cb 0.46 -1.15 0.00 0.00 -1.04 0.00 0.00 41.12 39.38 1q85 n ASP 465 CO 0.00 0.00 0.00 0.33 -0.82 0.00 0.00 177.20 176.71 1q85 n PHE 466 N -3.88 0.00 -0.33 -0.67 -0.00 0.46 -4.82 117.46 108.23 1q85 n PHE 466 Ca -0.13 -0.15 0.25 0.00 -0.00 0.00 0.00 57.45 57.43 1q85 n PHE 466 Cb 0.44 -0.01 0.49 0.00 -0.00 0.00 0.00 39.48 40.39 1q85 n PHE 466 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1q85 h SER 467 N 0.00 0.38 -0.22 -2.13 0.02 -1.85 -0.32 113.55 109.42 1q85 h SER 467 Ca 0.00 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1q85 h SER 467 Cb 0.24 0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1q85 h SER 467 CO 0.00 -0.24 0.00 -0.90 -1.14 0.00 0.00 176.83 174.55 1q85 n ASP 468 N -5.15 1.33 -0.47 3.07 5.68 -1.26 -3.81 116.55 115.94 1q85 n ASP 468 Ca 0.33 -2.02 0.07 0.00 -0.50 0.00 0.00 54.79 52.66 1q85 n ASP 468 Cb 1.05 -0.19 0.16 0.00 -1.14 0.00 0.00 41.12 41.01 1q85 n ASP 468 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1q85 n ARG 469 N 0.17 1.29 -4.32 0.11 1.74 -0.13 -4.93 116.66 110.59 1q85 n ARG 469 Ca 0.08 -2.85 -0.17 0.00 -0.77 0.00 0.00 57.85 54.14 1q85 n ARG 469 Cb 0.22 -1.41 -0.10 0.00 -1.02 0.00 0.00 32.46 30.15 1q85 n ARG 469 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1q85 s VAL 470 N -2.73 1.51 -0.06 1.55 -7.23 -1.25 -0.58 120.40 111.61 1q85 s VAL 470 Ca 0.34 -2.15 -0.02 0.00 -1.81 0.00 0.00 61.98 58.34 1q85 s VAL 470 Cb 0.32 -2.04 0.04 0.00 0.56 0.00 0.00 36.38 35.26 1q85 s VAL 470 CO -0.04 -0.60 0.12 -0.51 -0.31 0.00 0.00 175.10 173.76 1q85 s ILE 471 N -3.11 -0.09 0.17 -0.62 2.07 -0.68 -4.56 121.20 114.38 1q85 s ILE 471 Ca 0.22 0.23 -0.20 0.00 -1.41 0.00 0.00 60.65 59.49 1q85 s ILE 471 Cb 0.01 -0.21 -0.08 0.00 0.13 0.00 0.00 42.46 42.31 1q85 s ILE 471 CO 0.05 0.09 0.67 -0.36 -1.91 0.00 0.00 174.94 173.49 1q85 s PHE 472 N 1.37 3.72 -0.31 3.50 0.40 -0.46 -1.40 117.98 124.80 1q85 s PHE 472 Ca -0.07 1.36 0.03 0.00 -0.60 0.00 0.00 56.93 57.65 1q85 s PHE 472 Cb -0.12 -2.58 0.08 0.00 0.51 0.00 0.00 43.02 40.91 1q85 s PHE 472 CO -0.05 0.44 -0.01 0.34 0.70 0.00 0.00 175.22 176.64 1q85 s ASP 473 N -1.45 4.66 0.00 1.36 3.68 -0.87 -1.48 116.67 122.57 1q85 s ASP 473 Ca 0.38 -1.86 0.00 0.00 2.13 0.00 0.00 52.55 53.20 1q85 s ASP 473 Cb -0.18 -1.61 0.01 0.00 -1.45 0.00 0.00 42.92 39.69 1q85 s ASP 473 CO 0.21 -0.31 0.79 -0.81 0.13 0.00 0.00 175.17 175.18 1q85 n PRO 474 N 4.33 0.00 -1.92 4.34 -0.04 -1.26 -2.03 135.00 138.42 1q85 n PRO 474 Ca -0.03 0.28 -0.02 0.00 -0.04 0.00 0.00 63.50 63.69 1q85 n PRO 474 Cb 0.42 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 1q85 n PRO 474 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q85 n GLY 475 N -1.27 -3.74 3.56 0.55 0.00 -1.26 -4.79 105.19 98.24 1q85 n GLY 475 Ca 0.00 0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 1q85 n GLY 475 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q85 s VAL 476 N -0.33 4.90 0.18 1.61 1.01 -1.26 -4.95 120.40 121.56 1q85 s VAL 476 Ca -0.09 0.46 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 1q85 s VAL 476 Cb 0.01 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 1q85 s VAL 476 CO 0.30 -0.35 0.62 -0.76 0.00 0.00 0.00 175.10 174.91 1q85 s LEU 477 N 2.68 4.34 0.03 3.92 1.43 -1.26 -4.54 118.68 125.28 1q85 s LEU 477 Ca 0.23 1.21 -0.34 0.00 -1.03 0.00 0.00 54.13 54.20 1q85 s LEU 477 Cb -0.15 -3.40 -0.13 0.00 0.03 0.00 0.00 46.19 42.54 1q85 s LEU 477 CO 0.15 0.07 1.70 -2.65 0.23 0.00 0.00 176.35 175.86 1q85 n PRO 478 N 0.75 2.08 -0.28 1.29 -0.02 -1.25 -4.42 135.00 133.15 1q85 n PRO 478 Ca -0.04 0.76 0.01 0.00 -2.02 0.00 0.00 63.50 62.20 1q85 n PRO 478 Cb 0.52 -2.55 0.14 0.00 -0.02 0.00 0.00 33.50 31.58 1q85 n PRO 478 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1q85 h LEU 479 N 7.33 0.70 -2.74 2.45 5.85 -0.57 -1.15 115.31 127.18 1q85 h LEU 479 Ca -0.47 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1q85 h LEU 479 Cb 1.27 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1q85 h LEU 479 CO 0.91 0.44 0.00 0.61 -0.34 0.00 0.00 178.44 180.06 1q85 n GLY 480 N -1.31 2.01 2.44 3.75 0.00 -1.26 -2.59 105.19 108.22 1q85 n GLY 480 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 1q85 n GLY 480 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q85 n ALA 481 N 1.22 1.60 -3.56 4.61 0.00 -0.46 -5.02 120.51 118.90 1q85 n ALA 481 Ca 0.00 -0.80 -0.21 0.00 0.00 0.00 0.00 53.44 52.43 1q85 n ALA 481 Cb 0.42 -0.78 0.01 0.00 0.00 0.00 0.00 19.45 19.11 1q85 n ALA 481 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1q85 n GLU 482 N -1.13 -1.33 0.05 0.00 1.02 -1.07 -4.79 120.64 113.40 1q85 n GLU 482 Ca -0.13 0.85 -0.12 0.00 -0.02 0.00 0.00 57.16 57.73 1q85 n GLU 482 Cb 0.79 -3.84 -0.14 0.00 -0.02 0.00 0.00 31.44 28.24 1q85 n GLU 482 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1q85 h GLY 483 N -0.67 0.15 -5.35 0.62 0.00 -1.59 -3.48 103.07 92.76 1q85 h GLY 483 Ca -0.47 -0.39 -0.25 0.00 0.00 0.00 0.00 47.33 46.22 1q85 h GLY 483 CO 0.39 0.34 -0.81 0.28 0.00 0.00 0.00 176.54 176.74 1q85 n LYS 484 N -3.35 -2.69 -0.07 4.80 4.01 -1.26 -4.59 118.16 115.02 1q85 n LYS 484 Ca -0.12 0.83 0.25 0.00 -0.51 0.00 0.00 58.31 58.76 1q85 n LYS 484 Cb 1.02 -5.65 0.72 0.00 -0.51 0.00 0.00 35.03 30.60 1q85 n LYS 484 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 1q85 h PRO 485 N -1.13 0.00 0.00 1.97 0.11 -1.95 -0.13 132.00 130.87 1q85 h PRO 485 Ca -0.58 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.49 1q85 h PRO 485 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1q85 h PRO 485 CO 0.43 0.00 -0.20 0.28 -0.21 0.00 0.00 178.00 178.29 1q85 h VAL 486 N 0.00 1.05 -0.25 3.15 2.07 -2.00 -1.71 116.25 118.55 1q85 h VAL 486 Ca 0.33 -0.72 -0.17 0.00 0.82 0.00 0.00 66.70 66.96 1q85 h VAL 486 Cb 1.53 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1q85 h VAL 486 CO -0.00 0.20 -0.54 -0.33 0.02 0.00 0.00 177.57 176.91 1q85 h GLU 487 N 0.00 0.75 -0.46 1.57 4.39 -1.34 -2.39 114.58 117.10 1q85 h GLU 487 Ca -0.00 -0.47 -0.08 0.00 0.34 0.00 0.00 59.36 59.15 1q85 h GLU 487 Cb 0.38 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1q85 h GLU 487 CO 0.03 1.10 -0.03 0.28 -1.16 0.00 0.00 179.01 179.22 1q85 h VAL 488 N 0.58 1.27 -0.87 3.13 2.07 -1.49 -2.25 116.25 118.68 1q85 h VAL 488 Ca 0.01 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.46 1q85 h VAL 488 Cb 1.12 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 1q85 h VAL 488 CO 0.11 0.38 0.56 -0.07 0.02 0.00 0.00 177.57 178.58 1q85 h LEU 489 N 0.67 0.94 -0.87 2.57 3.38 -1.24 -0.53 115.31 120.22 1q85 h LEU 489 Ca 0.12 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1q85 h LEU 489 Cb 0.55 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1q85 h LEU 489 CO 0.03 0.65 0.25 0.11 0.09 0.00 0.00 178.44 179.56 1q85 h LYS 490 N 1.10 1.08 -0.05 1.13 1.57 -1.23 -2.13 116.57 118.04 1q85 h LYS 490 Ca 0.34 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1q85 h LYS 490 Cb -0.01 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1q85 h LYS 490 CO -0.11 0.90 0.02 1.15 -0.57 0.00 0.00 179.45 180.84 1q85 h THR 491 N 1.04 1.17 -0.60 -0.16 2.02 -0.70 -1.71 112.91 113.98 1q85 h THR 491 Ca 0.23 -0.50 0.09 0.00 0.77 0.00 0.00 66.41 67.01 1q85 h THR 491 Cb 0.26 1.41 -0.07 0.00 -1.74 0.00 0.00 68.15 68.00 1q85 h THR 491 CO -0.01 0.14 0.23 0.40 0.37 0.00 0.00 175.52 176.64 1q85 h ILE 492 N -0.11 0.79 -0.18 3.11 2.04 -0.96 0.19 117.51 122.38 1q85 h ILE 492 Ca 0.02 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1q85 h ILE 492 Cb 0.21 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1q85 h ILE 492 CO -0.00 0.08 0.12 -0.08 0.00 0.00 0.00 178.15 178.26 1q85 h GLU 493 N 0.42 0.24 0.33 2.37 4.81 -1.25 0.60 114.58 122.10 1q85 h GLU 493 Ca 0.30 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1q85 h GLU 493 Cb 0.36 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1q85 h GLU 493 CO -0.29 0.18 -0.20 0.35 -0.73 0.00 0.00 179.01 178.32 1q85 h PHE 494 N 0.23 -0.52 -0.37 0.92 3.57 -0.44 -0.89 116.94 119.45 1q85 h PHE 494 Ca 0.07 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1q85 h PHE 494 Cb -0.01 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 1q85 h PHE 494 CO -0.06 -0.31 0.15 0.82 -2.23 0.00 0.00 178.31 176.68 1q85 h ILE 495 N -0.51 0.92 -0.75 1.41 2.04 -0.56 -1.89 117.51 118.18 1q85 h ILE 495 Ca -0.04 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.81 1q85 h ILE 495 Cb 0.42 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 1q85 h ILE 495 CO 0.04 0.06 0.40 0.28 0.00 0.00 0.00 178.15 178.93 1q85 h SER 496 N 0.32 0.55 0.22 1.72 0.02 -0.69 0.20 113.55 115.89 1q85 h SER 496 Ca 0.16 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1q85 h SER 496 Cb 0.12 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1q85 h SER 496 CO -0.15 0.32 0.00 0.77 -1.14 0.00 0.00 176.83 176.63 1q85 h SER 497 N 0.68 0.00 0.47 3.07 4.64 -0.36 -0.17 113.55 121.88 1q85 h SER 497 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1q85 h SER 497 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1q85 h SER 497 CO -0.25 0.00 -0.41 0.29 -0.87 0.00 0.00 176.83 175.58 1q85 n LYS 498 N -2.77 0.19 -0.36 4.77 4.76 0.70 -4.94 118.16 120.51 1q85 n LYS 498 Ca -0.02 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1q85 n LYS 498 Cb 0.11 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 1q85 n LYS 498 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q85 n GLY 499 N 1.46 0.80 3.77 0.72 0.00 -0.08 -5.08 105.19 106.78 1q85 n GLY 499 Ca 0.07 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1q85 n GLY 499 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q85 s PHE 500 N -2.00 3.27 0.61 1.61 0.40 -1.17 -5.05 117.98 115.65 1q85 s PHE 500 Ca 0.00 0.21 -0.15 0.00 -0.60 0.00 0.00 56.93 56.39 1q85 s PHE 500 Cb 0.00 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 1q85 s PHE 500 CO 0.00 0.54 1.05 -0.80 0.70 0.00 0.00 175.22 176.72 1q85 s ASN 501 N -1.64 5.76 0.17 1.36 0.01 -1.26 -4.16 114.94 115.17 1q85 s ASN 501 Ca 0.22 1.77 0.02 0.00 -0.71 0.00 0.00 52.86 54.16 1q85 s ASN 501 Cb -0.12 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 38.97 1q85 s ASN 501 CO 0.13 -1.18 0.00 0.42 -1.51 0.00 0.00 177.10 174.95 1q85 s THR 502 N -2.56 0.67 0.25 1.60 -4.23 -1.26 -1.35 115.64 108.76 1q85 s THR 502 Ca 0.62 -1.98 -0.19 0.00 -1.18 0.00 0.00 61.69 58.97 1q85 s THR 502 Cb -0.15 -2.10 0.02 0.00 1.34 0.00 0.00 72.50 71.61 1q85 s THR 502 CO 0.40 -0.49 0.63 0.28 -0.54 0.00 0.00 174.62 174.89 1q85 s THR 503 N -3.66 0.01 0.13 3.99 -1.32 -0.55 -1.79 115.64 112.44 1q85 s THR 503 Ca 0.23 -0.93 -0.17 0.00 -1.21 0.00 0.00 61.69 59.61 1q85 s THR 503 Cb 0.06 -1.85 0.04 0.00 -1.51 0.00 0.00 72.50 69.24 1q85 s THR 503 CO 0.04 -0.02 0.44 0.68 -2.21 0.00 0.00 174.62 173.54 1q85 s VAL 504 N -3.91 0.06 -1.14 5.08 -7.23 -1.23 -4.16 120.40 107.86 1q85 s VAL 504 Ca 0.12 -0.46 -0.07 0.00 -1.81 0.00 0.00 61.98 59.76 1q85 s VAL 504 Cb -0.04 -1.13 0.26 0.00 0.56 0.00 0.00 36.38 36.04 1q85 s VAL 504 CO 0.03 -0.25 1.52 0.61 -0.31 0.00 0.00 175.10 176.70 1q85 n GLY 505 N -0.21 4.81 0.01 2.32 0.00 -1.26 -0.48 105.19 110.37 1q85 n GLY 505 Ca -0.16 -2.47 -0.00 0.00 0.00 0.00 0.00 46.02 43.38 1q85 n GLY 505 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1q85 n LEU 506 N 2.43 -0.01 0.06 0.99 0.00 -1.02 -1.28 117.00 118.16 1q85 n LEU 506 Ca 0.30 0.55 0.18 0.00 0.00 0.00 0.00 56.01 57.04 1q85 n LEU 506 Cb 0.35 -0.27 0.42 0.00 0.00 0.00 0.00 43.42 43.93 1q85 n LEU 506 CO 0.70 -0.28 1.16 0.28 0.00 0.00 0.00 177.39 179.25 1q85 h SER 507 N 0.00 0.00 0.06 1.96 0.02 -1.92 -0.60 113.55 113.07 1q85 h SER 507 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1q85 h SER 507 Cb 0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1q85 h SER 507 CO -0.01 0.00 -0.21 -1.13 -1.14 0.00 0.00 176.83 174.34 1q85 h ASN 508 N 0.00 0.27 -0.87 3.07 -1.24 -1.51 -2.89 115.58 112.41 1q85 h ASN 508 Ca 0.25 -0.07 0.09 0.00 0.71 0.00 0.00 56.30 57.27 1q85 h ASN 508 Cb 2.07 -0.07 -0.07 0.00 0.73 0.00 0.00 38.32 40.97 1q85 h ASN 508 CO -0.00 0.50 0.52 0.25 -1.29 0.00 0.00 177.43 177.40 1q85 h LEU 509 N 0.25 0.76 -1.88 0.34 5.85 -1.27 -1.70 115.31 117.66 1q85 h LEU 509 Ca 0.04 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1q85 h LEU 509 Cb 0.52 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1q85 h LEU 509 CO 0.04 0.44 0.00 -1.54 -0.34 0.00 0.00 178.44 177.04 1q85 n SER 510 N -4.69 2.76 -4.68 1.25 3.41 -1.10 0.08 113.62 110.65 1q85 n SER 510 Ca 0.14 -2.07 -0.51 0.00 -0.26 0.00 0.00 58.87 56.17 1q85 n SER 510 Cb 0.27 -0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.81 1q85 n SER 510 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1q85 n PHE 511 N 0.85 2.19 0.00 7.33 -0.00 -0.64 -1.87 117.46 125.32 1q85 n PHE 511 Ca 0.16 0.22 0.00 0.00 -0.00 0.00 0.00 57.45 57.84 1q85 n PHE 511 Cb 0.46 -2.57 0.00 0.00 -0.00 0.00 0.00 39.48 37.37 1q85 n PHE 511 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1q85 n GLY 512 N 4.08 2.21 3.79 7.13 0.00 -1.26 -4.50 105.19 116.63 1q85 n GLY 512 Ca 0.23 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1q85 n GLY 512 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q85 s LEU 513 N 0.00 3.66 0.61 0.99 1.43 -0.78 -5.04 118.68 119.55 1q85 s LEU 513 Ca 0.00 1.99 -0.12 0.00 -1.03 0.00 0.00 54.13 54.98 1q85 s LEU 513 Cb 0.00 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 1q85 s LEU 513 CO 0.00 -1.15 1.03 -2.16 0.23 0.00 0.00 176.35 174.30 1q85 s PRO 514 N -3.58 3.63 -1.47 1.29 0.04 -1.26 -3.89 135.00 129.77 1q85 s PRO 514 Ca 0.68 0.78 -0.08 0.00 0.04 0.00 0.00 61.00 62.42 1q85 s PRO 514 Cb -0.19 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.32 1q85 s PRO 514 CO 0.29 -0.54 0.79 -0.25 0.04 0.00 0.00 177.00 177.33 1q85 n ASP 515 N -2.62 -2.87 0.26 6.66 8.00 -1.26 -4.83 116.55 119.88 1q85 n ASP 515 Ca 0.06 -0.85 0.10 0.00 0.71 0.00 0.00 54.79 54.81 1q85 n ASP 515 Cb 0.54 -3.68 0.71 0.00 -0.02 0.00 0.00 41.12 38.67 1q85 n ASP 515 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1q85 h ARG 516 N -1.92 0.00 -0.30 -1.24 0.11 -1.87 -2.17 114.38 106.99 1q85 h ARG 516 Ca -0.60 0.00 0.01 0.00 0.10 0.00 0.00 59.98 59.49 1q85 h ARG 516 Cb 1.37 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.44 1q85 h ARG 516 CO 0.65 0.00 0.20 1.03 0.10 0.00 0.00 179.97 181.95 1q85 h SER 517 N 0.00 0.32 0.93 0.08 0.87 -1.93 0.07 113.55 113.89 1q85 h SER 517 Ca 0.01 -0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.36 1q85 h SER 517 Cb 0.06 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 1q85 h SER 517 CO -0.00 0.23 -0.96 1.88 -0.53 0.00 0.00 176.83 177.45 1q85 h TYR 518 N 0.38 0.02 -0.02 2.24 -1.99 -1.76 -2.16 116.97 113.68 1q85 h TYR 518 Ca 0.11 -0.02 -0.25 0.00 2.00 0.00 0.00 58.73 60.57 1q85 h TYR 518 Cb -0.00 -0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.74 1q85 h TYR 518 CO -0.00 0.96 -0.99 1.88 -0.00 0.00 0.00 178.16 180.01 1q85 h TYR 519 N 0.01 0.97 -0.17 4.88 -1.99 -1.41 -2.02 116.97 117.24 1q85 h TYR 519 Ca -0.01 -0.51 -0.00 0.00 2.00 0.00 0.00 58.73 60.20 1q85 h TYR 519 Cb 1.69 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 40.29 1q85 h TYR 519 CO 0.00 1.35 0.10 -0.91 -0.00 0.00 0.00 178.16 178.70 1q85 h ASN 520 N 0.38 0.20 -0.13 3.88 -0.26 -1.04 -1.01 115.58 117.61 1q85 h ASN 520 Ca -0.11 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.58 1q85 h ASN 520 Cb 1.64 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 38.84 1q85 h ASN 520 CO 0.19 0.17 0.04 0.74 -1.06 0.00 0.00 177.43 177.52 1q85 h THR 521 N 0.20 1.17 -0.60 2.81 2.02 -1.42 0.36 112.91 117.46 1q85 h THR 521 Ca 0.06 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1q85 h THR 521 Cb 0.01 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1q85 h THR 521 CO -0.01 0.15 0.39 0.00 0.37 0.00 0.00 175.52 176.42 1q85 h ALA 522 N 0.87 0.76 -0.25 6.16 0.00 -1.31 -0.08 119.26 125.40 1q85 h ALA 522 Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1q85 h ALA 522 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1q85 h ALA 522 CO -0.00 0.20 0.05 0.35 0.00 0.00 0.00 179.25 179.85 1q85 h PHE 523 N 0.81 0.43 -0.60 0.00 3.57 -1.08 -1.55 116.94 118.51 1q85 h PHE 523 Ca 0.22 -0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.73 1q85 h PHE 523 Cb -0.08 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.48 1q85 h PHE 523 CO -0.03 0.50 0.29 1.25 -2.23 0.00 0.00 178.31 178.09 1q85 h LEU 524 N 0.23 0.38 0.43 0.59 5.85 -0.54 0.63 115.31 122.87 1q85 h LEU 524 Ca 0.08 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1q85 h LEU 524 Cb 0.30 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1q85 h LEU 524 CO 0.00 0.24 -0.21 0.58 -0.34 0.00 0.00 178.44 178.72 1q85 h VAL 525 N 0.52 0.58 -0.70 1.05 2.07 -0.84 -0.62 116.25 118.32 1q85 h VAL 525 Ca 0.28 -0.10 0.10 0.00 0.82 0.00 0.00 66.70 67.80 1q85 h VAL 525 Cb 0.25 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 1q85 h VAL 525 CO -0.22 0.02 0.33 -0.07 0.02 0.00 0.00 177.57 177.65 1q85 h LEU 526 N -0.63 0.41 -0.00 2.57 -0.00 -0.83 -2.36 115.31 114.47 1q85 h LEU 526 Ca -0.06 0.07 0.03 0.00 -0.00 0.00 0.00 57.88 57.92 1q85 h LEU 526 Cb 0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.09 1q85 h LEU 526 CO 0.10 0.23 -0.22 1.23 -0.00 0.00 0.00 178.44 179.78 1q85 h GLY 527 N 0.56 -0.31 1.14 0.83 0.00 0.66 -2.30 103.07 103.66 1q85 h GLY 527 Ca 0.35 0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.99 1q85 h GLY 527 CO -0.28 -0.19 0.43 -2.22 0.00 0.00 0.00 176.54 174.28 1q85 h ILE 528 N -0.35 1.03 0.00 2.60 2.04 -0.75 0.98 117.51 123.06 1q85 h ILE 528 Ca 0.06 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1q85 h ILE 528 Cb 0.42 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1q85 h ILE 528 CO -0.20 0.13 0.00 0.77 0.00 0.00 0.00 178.15 178.85 1q85 h SER 529 N 0.69 0.00 -0.05 1.72 4.64 -0.91 -1.40 113.55 118.24 1q85 h SER 529 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1q85 h SER 529 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1q85 h SER 529 CO -0.09 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.16 1q85 n LYS 530 N -2.47 2.32 0.00 4.77 4.01 0.29 -4.96 118.16 122.12 1q85 n LYS 530 Ca 0.01 -1.92 0.00 0.00 -0.51 0.00 0.00 58.31 55.89 1q85 n LYS 530 Cb 0.21 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.27 1q85 n LYS 530 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1q85 n GLY 531 N 1.35 0.75 3.71 0.72 0.00 -0.53 -3.37 105.19 107.82 1q85 n GLY 531 Ca 0.14 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.52 1q85 n GLY 531 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1q85 n LEU 532 N 0.00 1.58 0.13 0.99 7.94 -0.91 -4.77 117.00 121.96 1q85 n LEU 532 Ca 0.00 1.12 0.01 0.00 -1.11 0.00 0.00 56.01 56.02 1q85 n LEU 532 Cb 0.00 -0.97 0.08 0.00 0.53 0.00 0.00 43.42 43.06 1q85 n LEU 532 CO 0.00 -0.70 0.45 0.28 -1.11 0.00 0.00 177.39 176.31 1q85 h SER 533 N 6.03 0.00 -2.02 1.96 0.02 -1.89 -3.42 113.55 114.23 1q85 h SER 533 Ca -0.43 0.00 0.22 0.00 -0.84 0.00 0.00 61.79 60.74 1q85 h SER 533 Cb 1.36 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.85 1q85 h SER 533 CO 0.98 0.59 0.64 -1.54 -1.14 0.00 0.00 176.83 176.37 1q85 n SER 534 N -3.38 -1.22 -3.63 3.07 3.41 -0.74 -2.05 113.62 109.08 1q85 n SER 534 Ca 0.01 -1.47 -0.10 0.00 -0.26 0.00 0.00 58.87 57.05 1q85 n SER 534 Cb 0.71 1.95 -0.07 0.00 -0.26 0.00 0.00 64.21 66.54 1q85 n SER 534 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q85 s ALA 535 N -1.86 -1.94 -0.11 7.33 0.00 -1.00 -3.56 121.76 120.62 1q85 s ALA 535 Ca 0.23 1.86 -0.26 0.00 0.00 0.00 0.00 51.96 53.79 1q85 s ALA 535 Cb -0.01 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 1q85 s ALA 535 CO 0.02 -0.26 0.83 0.42 0.00 0.00 0.00 175.76 176.77 1q85 s ILE 536 N 0.11 4.92 -0.38 0.00 1.01 0.37 -1.83 121.20 125.39 1q85 s ILE 536 Ca 0.02 1.68 -0.06 0.00 0.00 0.00 0.00 60.65 62.28 1q85 s ILE 536 Cb -0.05 -4.15 0.07 0.00 0.01 0.00 0.00 42.46 38.34 1q85 s ILE 536 CO -0.04 0.10 0.17 0.21 0.00 0.00 0.00 174.94 175.38 1q85 s ASN 538 N 1.04 5.39 0.02 3.58 2.47 -1.26 -2.44 114.94 123.73 1q85 s ASN 538 Ca 0.41 -1.45 0.18 0.00 0.42 0.00 0.00 52.86 52.42 1q85 s ASN 538 Cb -0.18 -1.89 0.77 0.00 -1.45 0.00 0.00 41.25 38.50 1q85 s ASN 538 CO 0.17 -0.44 1.58 -0.81 -3.72 0.00 0.00 177.10 173.88 1q85 n PRO 539 N 4.80 0.01 0.00 0.43 -0.04 -1.26 -2.47 135.00 136.47 1q85 n PRO 539 Ca -0.10 0.20 0.14 0.00 -0.04 0.00 0.00 63.50 63.70 1q85 n PRO 539 Cb 0.43 -1.52 0.52 0.00 -0.04 0.00 0.00 33.50 32.88 1q85 n PRO 539 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1q85 n LEU 540 N -1.55 0.49 -4.54 1.53 4.32 -1.26 -4.62 117.00 111.38 1q85 n LEU 540 Ca 0.04 0.04 -0.41 0.00 -0.02 0.00 0.00 56.01 55.65 1q85 n LEU 540 Cb 0.21 -0.23 -0.03 0.00 -1.62 0.00 0.00 43.42 41.75 1q85 n LEU 540 CO 0.17 0.10 1.17 -0.62 -1.22 0.00 0.00 177.39 176.98 1q85 s ASP 541 N -2.64 6.24 0.19 -1.43 -1.08 -1.03 -4.88 116.67 112.03 1q85 s ASP 541 Ca 0.23 -0.76 -0.12 0.00 -0.52 0.00 0.00 52.55 51.39 1q85 s ASP 541 Cb 0.19 -2.54 0.17 0.00 -1.46 0.00 0.00 42.92 39.28 1q85 s ASP 541 CO 0.53 -1.70 1.80 -0.08 0.52 0.00 0.00 175.17 176.24 1q85 h GLU 542 N 9.89 0.59 -0.64 4.34 4.81 -1.89 -2.63 114.58 129.05 1q85 h GLU 542 Ca -0.18 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1q85 h GLU 542 Cb 1.04 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 1q85 h GLU 542 CO 1.29 0.39 0.42 1.15 -0.73 0.00 0.00 179.01 181.54 1q85 h THR 543 N 0.61 1.16 0.00 0.32 2.02 -1.98 0.82 112.91 115.86 1q85 h THR 543 Ca 0.25 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1q85 h THR 543 Cb 0.12 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1q85 h THR 543 CO -0.15 0.16 0.00 -0.11 0.37 0.00 0.00 175.52 175.79 1q85 n LEU 544 N -4.65 0.18 0.00 2.58 7.94 -0.99 -1.11 117.00 120.95 1q85 n LEU 544 Ca 0.05 -0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 1q85 n LEU 544 Cb 0.02 -0.09 0.00 0.00 0.53 0.00 0.00 43.42 43.88 1q85 n LEU 544 CO 0.35 0.05 0.00 0.29 -1.11 0.00 0.00 177.39 176.97 1q85 n LYS 546 N 0.36 0.00 0.02 1.96 5.02 0.28 -0.65 118.16 125.15 1q85 n LYS 546 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1q85 n LYS 546 Cb 0.05 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.33 1q85 n LYS 546 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1q85 h THR 547 N 0.00 1.22 -0.23 -0.18 2.02 -1.34 -0.93 112.91 113.46 1q85 h THR 547 Ca 0.00 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 1q85 h THR 547 Cb 0.00 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1q85 h THR 547 CO 0.00 0.31 0.09 0.25 0.37 0.00 0.00 175.52 176.54 1q85 h LEU 548 N 0.44 0.33 -0.47 2.58 5.85 -1.11 -0.06 115.31 122.88 1q85 h LEU 548 Ca 0.09 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1q85 h LEU 548 Cb 0.45 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1q85 h LEU 548 CO 0.02 0.42 0.22 -1.13 -0.34 0.00 0.00 178.44 177.63 1q85 h ASN 549 N 0.22 0.61 -0.93 1.25 -1.24 -1.74 -1.83 115.58 111.92 1q85 h ASN 549 Ca 0.08 -0.13 0.06 0.00 0.71 0.00 0.00 56.30 57.02 1q85 h ASN 549 Cb 0.19 -0.16 -0.06 0.00 0.73 0.00 0.00 38.32 39.02 1q85 h ASN 549 CO -0.01 0.57 0.59 0.00 -1.29 0.00 0.00 177.43 177.30 1q85 h ALA 550 N 1.07 1.29 -0.74 1.57 0.00 -0.96 -0.88 119.26 120.60 1q85 h ALA 550 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1q85 h ALA 550 Cb 0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1q85 h ALA 550 CO -0.02 0.36 0.34 1.15 0.00 0.00 0.00 179.25 181.09 1q85 h THR 551 N 1.08 1.24 -0.10 0.00 2.02 -0.46 -0.49 112.91 116.21 1q85 h THR 551 Ca 0.40 -0.70 -0.13 0.00 0.77 0.00 0.00 66.41 66.76 1q85 h THR 551 Cb 0.17 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1q85 h THR 551 CO -0.17 0.29 -0.50 -0.07 0.37 0.00 0.00 175.52 175.43 1q85 h LEU 552 N 1.04 0.30 -0.08 2.58 3.38 -0.51 -1.43 115.31 120.58 1q85 h LEU 552 Ca 0.25 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1q85 h LEU 552 Cb 0.14 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1q85 h LEU 552 CO -0.03 0.75 -0.08 0.58 0.09 0.00 0.00 178.44 179.76 1q85 h VAL 553 N 0.22 1.36 -0.85 1.22 2.07 -0.89 0.40 116.25 119.78 1q85 h VAL 553 Ca 0.01 -1.21 0.04 0.00 0.82 0.00 0.00 66.70 66.36 1q85 h VAL 553 Cb 0.97 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 1q85 h VAL 553 CO 0.08 0.34 0.54 0.40 0.02 0.00 0.00 177.57 178.95 1q85 h ILE 554 N -0.21 1.12 -0.22 4.57 2.04 -1.00 -0.05 117.51 123.75 1q85 h ILE 554 Ca 0.01 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1q85 h ILE 554 Cb 0.58 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1q85 h ILE 554 CO 0.02 0.19 0.00 0.18 0.00 0.00 0.00 178.15 178.54 1q85 n LEU 555 N -4.57 1.91 -3.97 1.44 4.77 -0.55 -4.91 117.00 111.12 1q85 n LEU 555 Ca 0.11 -0.96 -0.32 0.00 -0.03 0.00 0.00 56.01 54.80 1q85 n LEU 555 Cb 0.10 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 1q85 n LEU 555 CO 0.33 0.35 -0.22 -1.84 -1.33 0.00 0.00 177.39 174.68 1q85 n GLU 556 N 0.21 -1.78 -0.09 3.23 0.28 -0.03 -4.86 120.64 117.60 1q85 n GLU 556 Ca 0.09 0.30 0.05 0.00 -0.16 0.00 0.00 57.16 57.44 1q85 n GLU 556 Cb 0.38 -3.87 0.08 0.00 1.43 0.00 0.00 31.44 29.45 1q85 n GLU 556 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1q85 n LYS 557 N -4.51 1.59 0.00 3.44 5.02 0.14 -5.02 118.16 118.81 1q85 n LYS 557 Ca -0.22 -1.98 0.00 0.00 -2.02 0.00 0.00 58.31 54.09 1q85 n LYS 557 Cb 0.64 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 1q85 n LYS 557 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05