#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1up8 s ILE 2 N 0.00 4.87 0.42 -0.61 1.01 -1.26 -5.02 121.20 120.62 1up8 s ILE 2 Ca 0.00 1.78 -0.24 0.00 0.00 0.00 0.00 60.65 62.18 1up8 s ILE 2 Cb 0.00 -4.20 -0.11 0.00 0.01 0.00 0.00 42.46 38.17 1up8 s ILE 2 CO 0.00 0.07 0.97 -2.65 0.00 0.00 0.00 174.94 173.33 1up8 n PRO 3 N 4.80 1.28 -3.78 2.79 -0.02 -1.26 -5.01 135.00 133.81 1up8 n PRO 3 Ca 0.05 0.46 -0.10 0.00 -2.02 0.00 0.00 63.50 61.89 1up8 n PRO 3 Cb 0.49 -1.99 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 1up8 n PRO 3 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1up8 s ALA 4 N -1.28 -0.70 0.38 3.55 0.00 -1.26 -5.17 121.76 117.28 1up8 s ALA 4 Ca 0.63 -0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.26 1up8 s ALA 4 Cb -0.56 0.83 0.04 0.00 0.00 0.00 0.00 23.12 23.42 1up8 s ALA 4 CO 0.57 -0.74 0.32 -0.40 0.00 0.00 0.00 175.76 175.51 1up8 n ASP 5 N -0.29 2.09 -4.15 0.00 3.85 -1.26 -5.16 116.55 111.63 1up8 n ASP 5 Ca -0.10 -2.26 -0.10 0.00 -0.71 0.00 0.00 54.79 51.62 1up8 n ASP 5 Cb 0.63 -0.07 -0.10 0.00 -1.35 0.00 0.00 41.12 40.23 1up8 n ASP 5 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1up8 s ASN 6 N -3.25 0.66 0.35 -1.12 4.22 -1.26 -5.15 114.94 109.39 1up8 s ASN 6 Ca 0.25 -1.10 -0.12 0.00 -2.14 0.00 0.00 52.86 49.74 1up8 s ASN 6 Cb -0.02 0.20 -0.08 0.00 1.28 0.00 0.00 41.25 42.63 1up8 s ASN 6 CO 0.16 -0.62 0.73 -0.76 -2.04 0.00 0.00 177.10 174.57 1up8 s LEU 7 N -3.03 3.97 0.35 3.54 1.43 -1.26 -5.11 118.68 118.57 1up8 s LEU 7 Ca 0.16 1.18 0.05 0.00 -1.03 0.00 0.00 54.13 54.49 1up8 s LEU 7 Cb 0.07 -4.01 -0.03 0.00 0.03 0.00 0.00 46.19 42.25 1up8 s LEU 7 CO -0.03 -0.28 0.19 0.00 0.23 0.00 0.00 176.35 176.46 1up8 s GLN 8 N -3.36 1.75 0.67 1.70 -2.07 -1.26 -5.14 119.66 111.95 1up8 s GLN 8 Ca 0.52 -2.03 -0.17 0.00 -1.82 0.00 0.00 55.36 51.86 1up8 s GLN 8 Cb -0.10 -0.13 -0.00 0.00 -1.09 0.00 0.00 33.01 31.69 1up8 s GLN 8 CO 0.24 -0.52 1.24 -1.13 -1.32 0.00 0.00 175.29 173.80 1up8 n SER 9 N -1.24 1.78 -0.27 12.60 3.41 -1.26 -4.82 113.62 123.83 1up8 n SER 9 Ca 0.01 0.79 0.06 0.00 -0.26 0.00 0.00 58.87 59.47 1up8 n SER 9 Cb 0.64 -1.53 0.20 0.00 -0.26 0.00 0.00 64.21 63.26 1up8 n SER 9 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1up8 h ARG 10 N 0.32 0.45 -0.57 4.33 9.65 -2.01 -1.72 114.38 124.84 1up8 h ARG 10 Ca -0.50 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.31 1up8 h ARG 10 Cb 1.34 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.79 1up8 h ARG 10 CO 0.52 0.30 0.19 0.00 2.80 0.00 0.00 179.97 183.77 1up8 h ALA 11 N 1.56 0.75 -0.39 2.80 0.00 -2.00 -1.62 119.26 120.36 1up8 h ALA 11 Ca 0.43 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 1up8 h ALA 11 Cb 0.66 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1up8 h ALA 11 CO -0.41 0.41 -0.19 0.87 0.00 0.00 0.00 179.25 179.93 1up8 h LYS 12 N 0.80 0.76 -0.68 0.00 1.79 -1.83 -1.93 116.57 115.49 1up8 h LYS 12 Ca 0.19 -0.29 -0.05 0.00 -2.18 0.00 0.00 60.65 58.32 1up8 h LYS 12 Cb 0.27 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.85 1up8 h LYS 12 CO -0.01 0.89 0.22 0.00 -1.08 0.00 0.00 179.45 179.48 1up8 h ALA 13 N 1.11 0.88 0.22 3.86 0.00 -0.92 0.02 119.26 124.43 1up8 h ALA 13 Ca 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1up8 h ALA 13 Cb 0.69 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1up8 h ALA 13 CO 0.05 0.55 -0.10 1.03 0.00 0.00 0.00 179.25 180.78 1up8 h SER 14 N 0.98 -0.25 -0.35 0.00 0.87 -1.23 -0.54 113.55 113.04 1up8 h SER 14 Ca 0.22 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.85 1up8 h SER 14 Cb 0.28 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.25 1up8 h SER 14 CO -0.01 -0.18 -0.03 0.15 -0.53 0.00 0.00 176.83 176.23 1up8 h PHE 15 N -0.29 -0.08 -0.51 2.24 3.57 -1.21 -2.00 116.94 118.65 1up8 h PHE 15 Ca -0.03 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1up8 h PHE 15 Cb 0.22 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1up8 h PHE 15 CO -0.06 -0.10 0.15 -0.44 -2.23 0.00 0.00 178.31 175.63 1up8 h ASP 16 N 0.06 0.70 -0.41 0.41 3.32 -0.89 -1.66 116.42 117.95 1up8 h ASP 16 Ca 0.17 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1up8 h ASP 16 Cb 0.24 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1up8 h ASP 16 CO -0.31 0.67 0.19 0.74 -1.72 0.00 0.00 179.24 178.80 1up8 h THR 17 N 0.74 1.18 -0.37 0.35 2.02 -0.70 -0.38 112.91 115.74 1up8 h THR 17 Ca 0.17 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1up8 h THR 17 Cb 0.23 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1up8 h THR 17 CO -0.01 0.20 0.11 0.03 0.37 0.00 0.00 175.52 176.22 1up8 h ARG 18 N 0.52 0.59 -0.70 6.66 3.08 -1.05 -2.31 114.38 121.17 1up8 h ARG 18 Ca 0.14 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1up8 h ARG 18 Cb 0.14 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1up8 h ARG 18 CO -0.02 0.60 0.34 0.28 -1.07 0.00 0.00 179.97 180.11 1up8 h VAL 19 N 0.46 1.23 -0.27 2.04 2.07 -1.25 -1.52 116.25 119.00 1up8 h VAL 19 Ca 0.12 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.04 1up8 h VAL 19 Cb 0.27 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1up8 h VAL 19 CO -0.00 0.26 0.18 0.00 0.02 0.00 0.00 177.57 178.03 1up8 h ALA 20 N 1.17 1.93 0.18 1.67 0.00 -0.86 0.21 119.26 123.57 1up8 h ALA 20 Ca 0.24 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.83 1up8 h ALA 20 Cb 0.10 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.84 1up8 h ALA 20 CO -0.03 0.03 -1.37 0.00 0.00 0.00 0.00 179.25 177.88 1up8 h ALA 21 N 1.84 -0.01 -0.89 0.00 0.00 -1.01 -1.90 119.26 117.30 1up8 h ALA 21 Ca 0.11 -0.89 0.01 0.00 0.00 0.00 0.00 54.91 54.14 1up8 h ALA 21 Cb 0.13 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1up8 h ALA 21 CO -0.02 0.87 0.58 0.00 0.00 0.00 0.00 179.25 180.67 1up8 h ALA 22 N 0.39 1.35 -0.50 0.00 0.00 -0.45 -2.45 119.26 117.61 1up8 h ALA 22 Ca -0.19 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1up8 h ALA 22 Cb 2.06 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1up8 h ALA 22 CO 0.23 0.60 -0.05 1.49 0.00 0.00 0.00 179.25 181.52 1up8 h GLU 23 N 1.21 0.92 -0.70 0.00 4.57 -0.51 -0.93 114.58 119.14 1up8 h GLU 23 Ca 0.33 -0.32 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1up8 h GLU 23 Cb -0.13 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.36 1up8 h GLU 23 CO -0.07 0.97 0.44 1.25 -1.18 0.00 0.00 179.01 180.42 1up8 h LEU 24 N 0.78 0.83 -0.27 1.64 6.46 -1.22 0.14 115.31 123.67 1up8 h LEU 24 Ca 0.14 -0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.80 1up8 h LEU 24 Cb 0.59 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1up8 h LEU 24 CO 0.04 0.63 -0.03 0.00 -0.62 0.00 0.00 178.44 178.46 1up8 h ALA 25 N 1.23 0.37 -0.80 1.25 0.00 -1.34 -2.92 119.26 117.06 1up8 h ALA 25 Ca 0.25 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1up8 h ALA 25 Cb -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1up8 h ALA 25 CO -0.05 0.14 0.52 1.25 0.00 0.00 0.00 179.25 181.11 1up8 h LEU 26 N 0.26 0.88 0.00 0.00 5.85 -0.94 -2.75 115.31 118.61 1up8 h LEU 26 Ca 0.07 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1up8 h LEU 26 Cb 0.48 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1up8 h LEU 26 CO 0.02 0.62 0.00 0.59 -0.34 0.00 0.00 178.44 179.33 1up8 n ASN 27 N -4.56 0.00 0.25 1.25 3.02 0.45 -2.13 115.26 113.54 1up8 n ASN 27 Ca 0.09 0.19 0.16 0.00 -0.03 0.00 0.00 54.58 55.00 1up8 n ASN 27 Cb 0.05 -0.34 0.68 0.00 -0.61 0.00 0.00 39.78 39.56 1up8 n ASN 27 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1up8 h ARG 28 N 0.00 0.00 0.00 3.52 3.08 -1.30 -3.50 114.38 116.19 1up8 h ARG 28 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 1up8 h ARG 28 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1up8 h ARG 28 CO 0.00 0.00 -0.12 0.41 -1.07 0.00 0.00 179.97 179.19 1up8 n GLY 29 N -0.06 -1.79 3.18 0.04 0.00 -0.90 -5.01 105.19 100.66 1up8 n GLY 29 Ca 0.01 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 1up8 n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1up8 s VAL 30 N -0.72 0.72 0.07 1.61 -7.23 -1.26 -4.98 120.40 108.60 1up8 s VAL 30 Ca 0.00 -1.95 0.06 0.00 -1.81 0.00 0.00 61.98 58.28 1up8 s VAL 30 Cb 0.00 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 1up8 s VAL 30 CO 0.00 -0.82 -0.17 0.68 -0.31 0.00 0.00 175.10 174.49 1up8 s VAL 31 N -3.61 1.33 0.78 1.32 -7.23 -1.08 -5.07 120.40 106.85 1up8 s VAL 31 Ca 0.14 -1.33 -0.11 0.00 -1.81 0.00 0.00 61.98 58.86 1up8 s VAL 31 Cb 0.05 -1.24 0.06 0.00 0.56 0.00 0.00 36.38 35.81 1up8 s VAL 31 CO -0.03 -0.12 1.09 -2.16 -0.31 0.00 0.00 175.10 173.57 1up8 s PRO 32 N -1.68 2.23 -0.16 4.82 0.04 -1.26 -4.58 135.00 134.42 1up8 s PRO 32 Ca 0.02 0.74 -0.00 0.00 0.04 0.00 0.00 61.00 61.79 1up8 s PRO 32 Cb -0.10 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 1up8 s PRO 32 CO 0.03 -1.54 -0.14 -1.12 0.04 0.00 0.00 177.00 174.27 1up8 s SER 33 N -3.84 3.81 -0.17 6.66 0.01 -1.26 -4.77 113.70 114.14 1up8 s SER 33 Ca 0.60 -0.43 -0.06 0.00 1.31 0.00 0.00 55.95 57.37 1up8 s SER 33 Cb -0.15 -1.59 -0.04 0.00 0.21 0.00 0.00 66.02 64.46 1up8 s SER 33 CO 0.55 0.09 0.03 -0.36 0.41 0.00 0.00 173.24 173.96 1up8 s PHE 34 N 0.77 3.17 0.48 2.43 0.40 -1.26 -5.09 117.98 118.89 1up8 s PHE 34 Ca -0.05 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 1up8 s PHE 34 Cb -0.15 -2.04 0.01 0.00 0.51 0.00 0.00 43.02 41.34 1up8 s PHE 34 CO 0.01 0.08 0.71 0.00 0.70 0.00 0.00 175.22 176.72 1up8 s ALA 35 N 0.39 3.75 -1.83 5.36 0.00 -1.26 -2.94 121.76 125.24 1up8 s ALA 35 Ca 0.01 -1.09 0.25 0.00 0.00 0.00 0.00 51.96 51.12 1up8 s ALA 35 Cb -0.13 -2.16 1.41 0.00 0.00 0.00 0.00 23.12 22.24 1up8 s ALA 35 CO 0.01 -0.49 1.84 0.27 0.00 0.00 0.00 175.76 177.39 1up8 n ASN 36 N -2.17 0.00 0.00 0.00 0.23 -1.26 -4.86 115.26 107.19 1up8 n ASN 36 Ca 0.03 -0.57 0.00 0.00 -0.53 0.00 0.00 54.58 53.51 1up8 n ASN 36 Cb 0.58 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 1up8 n ASN 36 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1up8 n GLY 37 N 0.62 1.33 0.27 4.83 0.00 -1.26 -4.95 105.19 106.04 1up8 n GLY 37 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 1up8 n GLY 37 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1up8 h GLU 38 N 3.11 0.66 -0.93 1.61 5.08 -1.98 -3.10 114.58 119.02 1up8 h GLU 38 Ca 0.00 -0.19 0.17 0.00 -1.00 0.00 0.00 59.36 58.34 1up8 h GLU 38 Cb 0.00 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.10 1up8 h GLU 38 CO 0.00 0.73 0.59 1.49 -1.00 0.00 0.00 179.01 180.83 1up8 h GLU 39 N 0.61 0.62 -0.01 2.33 4.81 -1.94 -0.36 114.58 120.65 1up8 h GLU 39 Ca 0.11 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1up8 h GLU 39 Cb 0.50 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1up8 h GLU 39 CO 0.03 0.41 -0.30 1.28 -0.73 0.00 0.00 179.01 179.70 1up8 n LEU 40 N -4.59 1.24 0.10 1.64 4.77 -1.25 -4.46 117.00 114.44 1up8 n LEU 40 Ca 0.19 -0.73 -0.11 0.00 -0.03 0.00 0.00 56.01 55.33 1up8 n LEU 40 Cb 0.55 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 1up8 n LEU 40 CO 0.28 0.25 0.43 0.25 -1.33 0.00 0.00 177.39 177.27 1up8 h LEU 41 N 1.15 -0.26 -9.44 2.23 5.85 -0.98 -3.45 115.31 110.41 1up8 h LEU 41 Ca 0.00 -0.26 -0.54 0.00 0.84 0.00 0.00 57.88 57.92 1up8 h LEU 41 Cb 0.39 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1up8 h LEU 41 CO 0.00 0.22 0.61 -0.31 -0.34 0.00 0.00 178.44 178.61 1up8 s TYR 42 N -3.84 3.35 0.14 1.25 4.12 -1.11 -5.01 117.35 116.26 1up8 s TYR 42 Ca -0.13 1.26 0.07 0.00 0.02 0.00 0.00 57.07 58.29 1up8 s TYR 42 Cb 0.01 -3.43 -0.04 0.00 -1.52 0.00 0.00 41.96 36.98 1up8 s TYR 42 CO 0.48 -1.35 -0.04 1.03 0.02 0.00 0.00 175.55 175.69 1up8 s ARG 43 N 1.39 2.28 0.09 -0.62 1.81 -1.26 -1.38 118.95 121.27 1up8 s ARG 43 Ca 0.58 -1.08 -0.34 0.00 -1.72 0.00 0.00 55.73 53.18 1up8 s ARG 43 Cb -0.28 -2.33 -0.13 0.00 -0.45 0.00 0.00 34.95 31.75 1up8 s ARG 43 CO 0.27 0.48 1.66 -1.71 -0.68 0.00 0.00 175.30 175.33 1up8 n ASN 44 N 0.23 3.20 0.02 0.23 2.85 -0.50 -4.49 115.26 116.80 1up8 n ASN 44 Ca -0.11 1.05 0.12 0.00 -0.11 0.00 0.00 54.58 55.53 1up8 n ASN 44 Cb 0.54 -1.41 0.53 0.00 1.24 0.00 0.00 39.78 40.67 1up8 n ASN 44 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1up8 n PRO 45 N 4.34 0.04 -1.94 1.20 -0.04 -1.26 -4.83 135.00 132.52 1up8 n PRO 45 Ca 0.19 0.09 -0.41 0.00 -0.04 0.00 0.00 63.50 63.33 1up8 n PRO 45 Cb 0.29 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.17 1up8 n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1up8 s ASP 46 N -3.26 6.56 0.66 3.54 1.01 -1.26 -5.02 116.67 118.90 1up8 s ASP 46 Ca 0.12 2.78 -0.13 0.00 0.71 0.00 0.00 52.55 56.03 1up8 s ASP 46 Cb 0.16 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.45 1up8 s ASP 46 CO 0.48 -0.76 1.07 -2.16 0.21 0.00 0.00 175.17 174.01 1up8 s PRO 47 N -0.66 2.98 -1.43 8.23 0.04 -1.26 -3.52 135.00 139.38 1up8 s PRO 47 Ca 0.59 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1up8 s PRO 47 Cb -0.44 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1up8 s PRO 47 CO 0.47 -1.08 0.00 -0.25 0.04 0.00 0.00 177.00 176.18 1up8 n ASP 48 N -2.70 -4.61 -4.21 6.66 9.92 -1.26 -5.01 116.55 115.35 1up8 n ASP 48 Ca 0.08 0.29 -0.23 0.00 -0.53 0.00 0.00 54.79 54.40 1up8 n ASP 48 Cb 0.53 -3.40 -0.14 0.00 -0.64 0.00 0.00 41.12 37.48 1up8 n ASP 48 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1up8 s ASN 49 N -2.78 2.13 -0.09 -2.24 3.84 -1.23 -5.07 114.94 109.50 1up8 s ASN 49 Ca 0.00 -0.51 0.13 0.00 0.21 0.00 0.00 52.86 52.69 1up8 s ASN 49 Cb 0.00 -0.15 0.22 0.00 -0.55 0.00 0.00 41.25 40.77 1up8 s ASN 49 CO 0.00 0.09 1.11 1.07 -2.79 0.00 0.00 177.10 176.59 1up8 n THR 50 N 1.79 1.30 -4.17 -5.21 5.66 -1.26 -4.96 114.28 107.42 1up8 n THR 50 Ca -0.18 -1.64 -0.31 0.00 -3.05 0.00 0.00 64.05 58.87 1up8 n THR 50 Cb 0.54 0.02 -0.08 0.00 -1.55 0.00 0.00 70.33 69.26 1up8 n THR 50 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1up8 s ASP 51 N -2.33 5.13 0.53 1.09 1.01 -1.26 -5.06 116.67 115.78 1up8 s ASP 51 Ca 0.23 -0.09 -0.21 0.00 0.71 0.00 0.00 52.55 53.19 1up8 s ASP 51 Cb 0.21 -1.29 -0.05 0.00 1.01 0.00 0.00 42.92 42.80 1up8 s ASP 51 CO 0.01 0.21 1.26 -2.84 0.21 0.00 0.00 175.17 174.02 1up8 s PRO 52 N -2.05 3.30 0.19 8.23 0.02 -1.26 -1.41 135.00 142.01 1up8 s PRO 52 Ca 0.24 1.99 0.15 0.00 0.02 0.00 0.00 61.00 63.39 1up8 s PRO 52 Cb -0.12 -2.22 -0.03 0.00 0.02 0.00 0.00 34.50 32.15 1up8 s PRO 52 CO 0.16 -0.99 1.23 0.66 -0.33 0.00 0.00 177.00 177.73 1up8 h SER 53 N 1.51 0.00 -1.54 2.53 4.64 -1.45 -3.40 113.55 115.83 1up8 h SER 53 Ca -0.50 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.41 1up8 h SER 53 Cb 1.28 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.24 1up8 h SER 53 CO 0.58 0.57 -0.41 0.49 -0.87 0.00 0.00 176.83 177.19 1up8 n PHE 54 N -3.13 -0.28 0.26 4.77 3.01 -1.26 -4.52 117.46 116.31 1up8 n PHE 54 Ca -0.02 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.59 1up8 n PHE 54 Cb 0.79 -3.53 0.68 0.00 -0.01 0.00 0.00 39.48 37.40 1up8 n PHE 54 CO 0.00 0.00 0.00 -0.84 1.01 0.00 0.00 176.76 176.93 1up8 h ILE 55 N 0.00 0.29 -0.41 4.37 3.07 -1.92 -2.04 117.51 120.88 1up8 h ILE 55 Ca -0.43 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.32 1up8 h ILE 55 Cb 1.33 1.51 0.00 0.00 -0.27 0.00 0.00 36.82 39.39 1up8 h ILE 55 CO 0.60 0.09 0.00 0.00 -1.05 0.00 0.00 178.15 177.79 1up8 n ALA 56 N -2.17 2.44 -2.78 0.16 0.00 -1.26 -4.95 120.51 111.95 1up8 n ALA 56 Ca -0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 53.44 52.24 1up8 n ALA 56 Cb 0.31 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 1up8 n ALA 56 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1up8 s SER 57 N -1.33 5.57 -0.04 0.00 0.01 -0.77 -2.51 113.70 114.63 1up8 s SER 57 Ca 0.37 -0.00 -0.30 0.00 1.31 0.00 0.00 55.95 57.34 1up8 s SER 57 Cb 0.21 -1.51 -0.07 0.00 0.21 0.00 0.00 66.02 64.86 1up8 s SER 57 CO 0.29 0.17 1.85 0.12 0.41 0.00 0.00 173.24 176.07 1up8 s PHE 58 N -1.41 1.59 -0.06 2.43 5.36 -0.08 -4.39 117.98 121.43 1up8 s PHE 58 Ca 0.30 -0.04 0.09 0.00 -0.96 0.00 0.00 56.93 56.31 1up8 s PHE 58 Cb -0.12 -4.08 0.13 0.00 -0.34 0.00 0.00 43.02 38.62 1up8 s PHE 58 CO 0.22 -4.58 1.03 0.25 -1.46 0.00 0.00 175.22 170.69 1up8 n THR 59 N 5.82 0.97 -1.69 0.12 -2.24 -1.26 -4.97 114.28 111.03 1up8 n THR 59 Ca 0.20 -1.14 -0.44 0.00 -2.27 0.00 0.00 64.05 60.40 1up8 n THR 59 Cb 0.42 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1up8 n THR 59 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1up8 n LYS 60 N -0.71 2.60 0.00 -0.78 4.81 -1.26 -1.52 118.16 121.30 1up8 n LYS 60 Ca 0.07 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.46 1up8 n LYS 60 Cb 0.62 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.88 1up8 n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1up8 n GLY 61 N 4.00 2.44 3.80 3.14 0.00 0.19 -4.93 105.19 113.82 1up8 n GLY 61 Ca 0.18 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1up8 n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up8 s LEU 62 N 0.00 3.96 0.15 0.99 1.43 -0.57 -1.24 118.68 123.40 1up8 s LEU 62 Ca 0.00 1.93 -0.31 0.00 -1.03 0.00 0.00 54.13 54.71 1up8 s LEU 62 Cb 0.00 -4.43 -0.10 0.00 0.03 0.00 0.00 46.19 41.69 1up8 s LEU 62 CO 0.00 -0.62 1.65 -2.84 0.23 0.00 0.00 176.35 174.77 1up8 s PRO 63 N -2.97 4.18 0.09 1.29 0.02 -1.26 -4.61 135.00 131.74 1up8 s PRO 63 Ca 0.63 2.44 0.05 0.00 0.02 0.00 0.00 61.00 64.14 1up8 s PRO 63 Cb -0.17 -3.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.03 1up8 s PRO 63 CO 0.21 -0.69 -0.04 -1.01 -0.33 0.00 0.00 177.00 175.14 1up8 s HIS 64 N 1.65 2.90 0.74 6.54 3.76 -1.26 -2.01 115.29 127.60 1up8 s HIS 64 Ca 0.73 -0.07 -0.13 0.00 -0.15 0.00 0.00 55.06 55.45 1up8 s HIS 64 Cb -0.45 -1.51 0.18 0.00 1.11 0.00 0.00 32.58 31.91 1up8 s HIS 64 CO 0.32 0.45 0.83 -0.40 -0.85 0.00 0.00 174.74 175.10 1up8 n ASP 65 N 0.71 -0.74 0.25 1.40 5.68 0.11 -4.85 116.55 119.12 1up8 n ASP 65 Ca -0.12 -1.16 0.17 0.00 -0.50 0.00 0.00 54.79 53.18 1up8 n ASP 65 Cb 0.52 -0.69 0.82 0.00 -1.14 0.00 0.00 41.12 40.64 1up8 n ASP 65 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1up8 h ASP 66 N -1.63 0.00 0.05 -1.12 3.32 -2.01 -0.62 116.42 114.41 1up8 h ASP 66 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1up8 h ASP 66 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1up8 h ASP 66 CO 0.20 0.00 -0.57 0.59 -1.72 0.00 0.00 179.24 177.74 1up8 n ASN 67 N -2.78 1.58 0.00 6.45 5.03 -1.26 -4.99 115.26 119.30 1up8 n ASN 67 Ca -0.01 -1.25 0.00 0.00 0.87 0.00 0.00 54.58 54.19 1up8 n ASN 67 Cb 0.16 0.54 0.00 0.00 -1.02 0.00 0.00 39.78 39.45 1up8 n ASN 67 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1up8 n GLY 68 N 1.43 0.73 3.83 7.41 0.00 -0.24 -4.87 105.19 113.48 1up8 n GLY 68 Ca 0.08 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1up8 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1up8 s ALA 69 N -2.00 3.60 0.53 4.61 0.00 -1.26 -4.82 121.76 122.41 1up8 s ALA 69 Ca 0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 51.96 51.65 1up8 s ALA 69 Cb 0.00 -2.54 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 1up8 s ALA 69 CO 0.00 0.44 1.33 0.96 0.00 0.00 0.00 175.76 178.49 1up8 s ILE 70 N -1.32 2.25 -0.00 0.00 -4.36 -1.26 0.05 121.20 116.55 1up8 s ILE 70 Ca 0.34 0.19 -0.19 0.00 -0.26 0.00 0.00 60.65 60.72 1up8 s ILE 70 Cb -0.16 -3.09 -0.29 0.00 1.25 0.00 0.00 42.46 40.16 1up8 s ILE 70 CO 0.19 -0.00 1.01 0.40 0.24 0.00 0.00 174.94 176.77 1up8 h ILE 71 N 1.53 1.41 -3.55 8.37 2.04 -1.73 -3.44 117.51 122.14 1up8 h ILE 71 Ca -0.51 -2.42 -0.61 0.00 1.00 0.00 0.00 64.86 62.32 1up8 h ILE 71 Cb 1.29 2.92 -0.39 0.00 -0.74 0.00 0.00 36.82 39.90 1up8 h ILE 71 CO 0.58 0.71 -0.77 -0.62 0.00 0.00 0.00 178.15 178.04 1up8 s ASP 72 N -7.09 3.99 0.52 1.72 -1.08 -1.26 -5.01 116.67 108.47 1up8 s ASP 72 Ca -0.12 -1.40 0.27 0.00 -0.52 0.00 0.00 52.55 50.79 1up8 s ASP 72 Cb 0.03 -1.17 1.41 0.00 -1.46 0.00 0.00 42.92 41.72 1up8 s ASP 72 CO 0.87 -0.29 1.94 1.55 0.52 0.00 0.00 175.17 179.75 1up8 h PRO 73 N 7.93 0.03 0.00 4.34 0.13 -1.90 0.85 132.00 143.39 1up8 h PRO 73 Ca -0.15 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 1up8 h PRO 73 Cb 1.06 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1up8 h PRO 73 CO 0.44 0.02 -0.05 -0.44 -0.23 0.00 0.00 178.00 177.74 1up8 h ASP 74 N 0.04 0.00 -0.28 1.44 3.32 -1.98 -1.53 116.42 117.41 1up8 h ASP 74 Ca 0.35 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.36 1up8 h ASP 74 Cb 1.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 1up8 h ASP 74 CO -0.02 0.05 0.04 0.44 -1.72 0.00 0.00 179.24 178.03 1up8 h ASP 75 N 0.00 0.46 -0.14 6.45 3.32 -1.26 -1.01 116.42 124.25 1up8 h ASP 75 Ca -0.00 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1up8 h ASP 75 Cb 0.14 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1up8 h ASP 75 CO 0.01 0.62 0.02 0.15 -1.72 0.00 0.00 179.24 178.32 1up8 h PHE 76 N 0.29 0.25 -0.48 4.55 3.57 -1.59 -2.82 116.94 120.71 1up8 h PHE 76 Ca 0.09 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1up8 h PHE 76 Cb 0.36 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1up8 h PHE 76 CO 0.03 0.41 0.32 -0.07 -2.23 0.00 0.00 178.31 176.76 1up8 h LEU 77 N 0.02 0.46 -0.75 0.59 3.38 -1.22 -0.61 115.31 117.18 1up8 h LEU 77 Ca 0.04 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1up8 h LEU 77 Cb 0.29 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1up8 h LEU 77 CO 0.00 0.32 -0.62 0.00 0.09 0.00 0.00 178.44 178.23 1up8 h ALA 78 N 1.72 0.96 -0.10 1.53 0.00 -1.22 -2.35 119.26 119.81 1up8 h ALA 78 Ca 0.19 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1up8 h ALA 78 Cb 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1up8 h ALA 78 CO -0.05 0.77 -0.12 0.35 0.00 0.00 0.00 179.25 180.20 1up8 h PHE 79 N 0.00 0.31 -0.35 0.00 3.57 -0.90 -1.24 116.94 118.33 1up8 h PHE 79 Ca -0.01 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.43 1up8 h PHE 79 Cb 1.10 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1up8 h PHE 79 CO 0.00 0.70 0.15 0.28 -2.23 0.00 0.00 178.31 177.21 1up8 h VAL 80 N -0.17 0.94 -0.67 1.41 2.07 -1.19 -0.67 116.25 117.98 1up8 h VAL 80 Ca 0.01 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.48 1up8 h VAL 80 Cb 0.66 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1up8 h VAL 80 CO 0.03 0.06 0.38 0.03 0.02 0.00 0.00 177.57 178.09 1up8 h ARG 81 N 0.32 0.69 -0.13 1.57 3.08 -1.33 -2.57 114.38 116.00 1up8 h ARG 81 Ca 0.15 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 1up8 h ARG 81 Cb 0.10 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1up8 h ARG 81 CO -0.13 0.45 -0.38 0.00 -1.07 0.00 0.00 179.97 178.84 1up8 h ALA 82 N 1.34 1.12 -0.19 0.04 0.00 -0.75 -2.34 119.26 118.48 1up8 h ALA 82 Ca 0.29 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1up8 h ALA 82 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1up8 h ALA 82 CO -0.17 0.57 0.12 0.82 0.00 0.00 0.00 179.25 180.59 1up8 h ILE 83 N 0.24 1.04 0.00 0.00 2.04 -0.84 -0.48 117.51 119.50 1up8 h ILE 83 Ca 0.02 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1up8 h ILE 83 Cb 0.78 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1up8 h ILE 83 CO 0.06 0.04 0.00 0.78 0.00 0.00 0.00 178.15 179.03 1up8 h ASN 84 N 0.24 0.00 0.03 1.72 2.35 -1.28 -3.32 115.58 115.33 1up8 h ASN 84 Ca 0.07 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.44 1up8 h ASN 84 Cb -0.02 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.30 1up8 h ASN 84 CO -0.02 0.00 -2.33 -0.24 -1.65 0.00 0.00 177.43 173.19 1up8 n SER 85 N -2.38 2.02 0.00 5.81 2.88 -0.90 -5.00 113.62 116.04 1up8 n SER 85 Ca 0.04 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1up8 n SER 85 Cb 0.37 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1up8 n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1up8 n GLY 86 N 2.10 1.95 3.69 0.46 0.00 -0.20 -5.00 105.19 108.19 1up8 n GLY 86 Ca -0.42 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1up8 n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1up8 s ASP 87 N -3.34 6.49 0.29 1.61 2.15 -1.26 -4.91 116.67 117.70 1up8 s ASP 87 Ca 0.00 2.65 -0.02 0.00 0.43 0.00 0.00 52.55 55.60 1up8 s ASP 87 Cb 0.00 -2.56 0.41 0.00 -0.30 0.00 0.00 42.92 40.47 1up8 s ASP 87 CO 0.00 -0.97 1.91 -0.33 -0.17 0.00 0.00 175.17 175.61 1up8 h GLU 88 N 8.80 1.03 -0.37 4.34 3.07 -1.97 -1.55 114.58 127.93 1up8 h GLU 88 Ca -0.45 -0.11 -0.17 0.00 -0.50 0.00 0.00 59.36 58.13 1up8 h GLU 88 Cb 1.21 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1up8 h GLU 88 CO 0.94 0.75 -0.42 -0.22 -1.40 0.00 0.00 179.01 178.66 1up8 h LYS 89 N 1.04 0.93 -0.84 2.33 1.63 -1.99 -1.51 116.57 118.16 1up8 h LYS 89 Ca 0.26 -0.51 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1up8 h LYS 89 Cb 0.02 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 1up8 h LYS 89 CO -0.04 1.16 0.53 1.49 -3.45 0.00 0.00 179.45 179.14 1up8 h GLU 90 N 0.75 1.12 -0.57 1.90 4.81 -1.81 -2.13 114.58 118.64 1up8 h GLU 90 Ca 0.05 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1up8 h GLU 90 Cb 1.02 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 1up8 h GLU 90 CO 0.10 0.76 -0.00 0.82 -0.73 0.00 0.00 179.01 179.96 1up8 h ILE 91 N 1.14 1.26 0.00 2.32 2.04 -1.09 -2.84 117.51 120.34 1up8 h ILE 91 Ca 0.30 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1up8 h ILE 91 Cb -0.09 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1up8 h ILE 91 CO -0.06 0.41 0.00 0.00 0.00 0.00 0.00 178.15 178.49 1up8 h ALA 92 N 0.97 1.00 -0.00 1.87 0.00 -0.93 -2.88 119.26 119.28 1up8 h ALA 92 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1up8 h ALA 92 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1up8 h ALA 92 CO 0.03 0.00 -0.19 -0.25 0.00 0.00 0.00 179.25 178.83 1up8 n ASP 93 N -2.70 0.32 -4.71 0.00 8.00 -0.83 -4.92 116.55 111.71 1up8 n ASP 93 Ca 0.01 -0.10 -0.31 0.00 0.71 0.00 0.00 54.79 55.11 1up8 n ASP 93 Cb 0.27 -0.12 0.13 0.00 -0.02 0.00 0.00 41.12 41.38 1up8 n ASP 93 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1up8 s LEU 94 N -2.82 2.71 -0.25 0.64 1.43 -1.09 -5.01 118.68 114.29 1up8 s LEU 94 Ca 0.18 1.86 -0.20 0.00 -1.03 0.00 0.00 54.13 54.95 1up8 s LEU 94 Cb 0.19 -4.36 -0.02 0.00 0.03 0.00 0.00 46.19 42.02 1up8 s LEU 94 CO 0.56 -2.61 0.60 -0.89 0.23 0.00 0.00 176.35 174.25 1up8 s THR 95 N -2.80 5.01 -0.11 5.49 2.01 -1.26 -5.06 115.64 118.91 1up8 s THR 95 Ca 0.64 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.72 1up8 s THR 95 Cb -0.19 -3.91 0.02 0.00 0.01 0.00 0.00 72.50 68.43 1up8 s THR 95 CO 0.57 0.06 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.23 1up8 s LEU 96 N 2.35 1.45 0.00 4.42 2.96 -1.26 -4.56 118.68 124.04 1up8 s LEU 96 Ca 0.25 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1up8 s LEU 96 Cb -0.16 -0.96 0.00 0.00 0.50 0.00 0.00 46.19 45.58 1up8 s LEU 96 CO 0.09 -0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.67 1up8 n GLY 97 N 4.63 -1.09 3.94 7.98 0.00 -0.37 -5.01 105.19 115.28 1up8 n GLY 97 Ca -0.16 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 1up8 n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1up8 s PRO 98 N -1.39 0.75 0.43 1.61 0.04 -1.26 -4.44 135.00 130.73 1up8 s PRO 98 Ca 0.00 -0.55 -0.23 0.00 0.04 0.00 0.00 61.00 60.26 1up8 s PRO 98 Cb 0.00 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.50 1up8 s PRO 98 CO 0.00 -2.30 0.70 0.00 0.04 0.00 0.00 177.00 175.44 1up8 n ALA 99 N -3.64 -0.96 -2.62 8.56 0.00 -1.26 -4.73 120.51 115.85 1up8 n ALA 99 Ca 0.16 0.18 -0.29 0.00 0.00 0.00 0.00 53.44 53.49 1up8 n ALA 99 Cb 0.60 -1.88 -0.09 0.00 0.00 0.00 0.00 19.45 18.08 1up8 n ALA 99 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1up8 s ARG 100 N -1.76 2.29 -0.03 0.00 0.52 -1.26 -1.26 118.95 117.45 1up8 s ARG 100 Ca 0.64 -1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 54.52 1up8 s ARG 100 Cb -0.59 -2.36 -0.03 0.00 0.52 0.00 0.00 34.95 32.50 1up8 s ARG 100 CO 0.57 0.49 1.13 0.34 0.02 0.00 0.00 175.30 177.85 1up8 s ASP 101 N -2.50 7.14 0.38 0.23 3.68 -0.26 -4.89 116.67 120.45 1up8 s ASP 101 Ca 0.24 1.77 0.08 0.00 2.13 0.00 0.00 52.55 56.77 1up8 s ASP 101 Cb -0.10 -2.56 0.74 0.00 -1.45 0.00 0.00 42.92 39.55 1up8 s ASP 101 CO 0.16 -0.48 1.92 -0.65 0.13 0.00 0.00 175.17 176.25 1up8 h PRO 102 N 7.16 0.36 0.19 4.34 0.11 -1.95 0.20 132.00 142.40 1up8 h PRO 102 Ca -0.36 -0.07 -0.33 0.00 0.11 0.00 0.00 66.00 65.35 1up8 h PRO 102 Cb 1.18 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.25 1up8 h PRO 102 CO 0.84 0.42 -1.58 1.05 -0.21 0.00 0.00 178.00 178.52 1up8 h GLU 103 N 0.35 0.40 0.00 1.05 4.11 -1.98 -3.36 114.58 115.14 1up8 h GLU 103 Ca 0.08 -0.68 -0.18 0.00 0.07 0.00 0.00 59.36 58.64 1up8 h GLU 103 Cb 0.30 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1up8 h GLU 103 CO 0.01 1.33 -1.37 1.79 0.07 0.00 0.00 179.01 180.83 1up8 h THR 104 N 0.02 0.61 -0.07 -1.06 1.35 -1.99 -3.48 112.91 108.29 1up8 h THR 104 Ca -0.31 -2.16 -0.03 0.00 -0.55 0.00 0.00 66.41 63.37 1up8 h THR 104 Cb 2.03 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 70.58 1up8 h THR 104 CO 0.18 0.35 -0.03 0.61 -0.25 0.00 0.00 175.52 176.38 1up8 n GLY 105 N 1.40 0.52 3.92 5.82 0.00 0.69 -5.04 105.19 112.51 1up8 n GLY 105 Ca -0.10 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 1up8 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up8 s LEU 106 N -0.32 4.33 0.45 0.99 1.43 -1.24 -4.74 118.68 119.57 1up8 s LEU 106 Ca 0.00 0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 53.16 1up8 s LEU 106 Cb 0.00 -3.02 -0.08 0.00 0.03 0.00 0.00 46.19 43.11 1up8 s LEU 106 CO 0.00 0.10 1.43 -2.65 0.23 0.00 0.00 176.35 175.46 1up8 n PRO 107 N -0.02 2.25 -3.30 1.29 -0.02 -1.26 -1.10 135.00 132.84 1up8 n PRO 107 Ca -0.05 0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 61.80 1up8 n PRO 107 Cb 0.52 -2.63 -0.08 0.00 -0.02 0.00 0.00 33.50 31.29 1up8 n PRO 107 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1up8 s ILE 108 N -1.19 5.06 0.53 4.25 1.01 -0.39 -4.82 121.20 125.65 1up8 s ILE 108 Ca 0.61 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.83 1up8 s ILE 108 Cb -0.45 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 37.94 1up8 s ILE 108 CO 0.58 -0.49 0.79 0.26 0.00 0.00 0.00 174.94 176.07 1up8 s TRP 109 N 2.19 3.17 0.08 3.97 0.52 -1.26 -4.75 118.94 122.86 1up8 s TRP 109 Ca 0.12 0.36 -0.03 0.00 0.02 0.00 0.00 56.10 56.57 1up8 s TRP 109 Cb -0.18 -2.57 -0.27 0.00 -1.15 0.00 0.00 33.47 29.30 1up8 s TRP 109 CO 0.13 -0.65 1.16 0.00 0.02 0.00 0.00 176.95 177.61 1up8 h ARG 110 N 0.09 0.26 -6.18 4.98 3.08 -1.97 -3.47 114.38 111.17 1up8 h ARG 110 Ca -0.45 -0.42 -0.57 0.00 0.07 0.00 0.00 59.98 58.60 1up8 h ARG 110 Cb 1.26 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 31.42 1up8 h ARG 110 CO 0.58 1.20 -0.03 -1.54 -1.07 0.00 0.00 179.97 179.11 1up8 s SER 111 N -7.11 7.03 0.40 7.04 1.04 -1.26 -4.96 113.70 115.88 1up8 s SER 111 Ca -0.04 1.23 0.17 0.00 0.48 0.00 0.00 55.95 57.78 1up8 s SER 111 Cb 0.07 -2.36 1.05 0.00 0.10 0.00 0.00 66.02 64.88 1up8 s SER 111 CO 0.88 0.21 1.82 0.44 0.98 0.00 0.00 173.24 177.57 1up8 h ASP 112 N 4.93 0.46 0.11 7.02 3.32 -1.97 -2.63 116.42 127.66 1up8 h ASP 112 Ca -0.48 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 1up8 h ASP 112 Cb 1.21 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1up8 h ASP 112 CO 0.66 0.16 -0.05 0.25 -1.72 0.00 0.00 179.24 178.53 1up8 h LEU 113 N 0.45 -0.13 -0.59 1.55 5.85 -1.99 -0.16 115.31 120.29 1up8 h LEU 113 Ca 0.52 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1up8 h LEU 113 Cb 1.24 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 1up8 h LEU 113 CO -0.23 0.17 0.39 0.00 -0.34 0.00 0.00 178.44 178.43 1up8 h ALA 114 N 0.42 0.75 -0.66 1.25 0.00 -1.92 -2.29 119.26 116.81 1up8 h ALA 114 Ca -0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1up8 h ALA 114 Cb 0.35 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1up8 h ALA 114 CO 0.02 0.19 0.19 -0.91 0.00 0.00 0.00 179.25 178.75 1up8 h ASN 115 N 0.80 0.97 -0.39 0.00 2.35 -1.47 -1.87 115.58 115.96 1up8 h ASN 115 Ca 0.22 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1up8 h ASN 115 Cb -0.08 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 1up8 h ASN 115 CO -0.05 0.93 0.19 0.77 -1.65 0.00 0.00 177.43 177.62 1up8 h SER 116 N 0.96 0.56 1.08 5.81 4.64 -0.82 -2.14 113.55 123.64 1up8 h SER 116 Ca 0.21 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1up8 h SER 116 Cb 0.31 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1up8 h SER 116 CO -0.00 0.50 0.00 0.18 -0.87 0.00 0.00 176.83 176.64 1up8 n LEU 117 N -4.38 0.41 -3.82 5.97 4.77 -0.88 -4.95 117.00 114.12 1up8 n LEU 117 Ca 0.03 0.55 -0.24 0.00 -0.03 0.00 0.00 56.01 56.33 1up8 n LEU 117 Cb 0.14 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1up8 n LEU 117 CO 0.37 -0.18 -0.11 -0.62 -1.33 0.00 0.00 177.39 175.52 1up8 n GLU 118 N -1.90 -4.37 -2.07 3.23 1.02 -0.73 -4.92 120.64 110.90 1up8 n GLU 118 Ca 0.05 0.54 -0.40 0.00 -0.02 0.00 0.00 57.16 57.33 1up8 n GLU 118 Cb 0.34 -4.98 -0.01 0.00 -0.02 0.00 0.00 31.44 26.77 1up8 n GLU 118 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1up8 s LEU 119 N -6.84 4.28 0.66 -4.62 1.43 -1.12 -5.04 118.68 107.43 1up8 s LEU 119 Ca 0.08 2.67 0.02 0.00 -1.03 0.00 0.00 54.13 55.87 1up8 s LEU 119 Cb -0.04 -3.83 0.11 0.00 0.03 0.00 0.00 46.19 42.46 1up8 s LEU 119 CO 0.84 -0.76 0.92 -1.61 0.23 0.00 0.00 176.35 175.97 1up8 s GLU 120 N -2.11 1.92 0.43 1.70 0.41 -1.26 -4.54 118.70 115.25 1up8 s GLU 120 Ca 0.54 -1.24 -0.13 0.00 -0.41 0.00 0.00 54.97 53.74 1up8 s GLU 120 Cb -0.39 -2.44 -0.07 0.00 -1.78 0.00 0.00 34.13 29.46 1up8 s GLU 120 CO 0.50 -1.22 0.83 0.14 -0.49 0.00 0.00 175.26 175.03 1up8 s VAL 121 N -2.97 4.70 0.22 2.63 -7.23 -1.26 -1.97 120.40 114.51 1up8 s VAL 121 Ca 0.64 0.83 0.09 0.00 -1.81 0.00 0.00 61.98 61.74 1up8 s VAL 121 Cb -0.06 -3.72 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 1up8 s VAL 121 CO 0.42 -0.55 -0.06 0.00 -0.31 0.00 0.00 175.10 174.61 1up8 s ARG 122 N -3.85 2.16 0.46 4.82 1.70 -0.73 -4.83 118.95 118.68 1up8 s ARG 122 Ca 0.54 -1.34 0.06 0.00 -0.47 0.00 0.00 55.73 54.52 1up8 s ARG 122 Cb -0.10 -2.16 -0.03 0.00 -0.57 0.00 0.00 34.95 32.10 1up8 s ARG 122 CO 0.30 0.40 0.22 0.20 -1.08 0.00 0.00 175.30 175.34 1up8 s GLY 123 N -3.19 2.43 0.35 3.88 0.00 -1.26 -4.86 107.32 104.67 1up8 s GLY 123 Ca 0.28 -1.69 -0.28 0.00 0.00 0.00 0.00 44.72 43.03 1up8 s GLY 123 CO 0.17 -1.95 1.42 -0.98 0.00 0.00 0.00 173.10 171.76 1up8 s TRP 124 N -2.67 2.78 -0.56 1.90 0.51 -1.26 -4.82 118.94 114.82 1up8 s TRP 124 Ca 0.35 1.25 -0.17 0.00 -2.12 0.00 0.00 56.10 55.41 1up8 s TRP 124 Cb 0.02 -3.88 0.12 0.00 -0.81 0.00 0.00 33.47 28.91 1up8 s TRP 124 CO 0.20 -2.54 0.59 -1.21 -0.51 0.00 0.00 176.95 173.48 1up8 s GLU 125 N -1.89 3.02 -1.12 4.98 2.02 -1.08 -4.55 118.70 120.07 1up8 s GLU 125 Ca 0.52 -1.51 -0.15 0.00 0.02 0.00 0.00 54.97 53.84 1up8 s GLU 125 Cb -0.44 -4.28 -0.03 0.00 0.10 0.00 0.00 34.13 29.49 1up8 s GLU 125 CO 0.58 -1.42 0.83 0.09 0.02 0.00 0.00 175.26 175.36 1up8 n ASN 126 N 5.76 -5.44 0.07 -0.19 4.13 -1.26 -4.88 115.26 113.45 1up8 n ASN 126 Ca -0.12 -0.91 0.07 0.00 1.68 0.00 0.00 54.58 55.30 1up8 n ASN 126 Cb 0.41 -3.97 0.34 0.00 -1.54 0.00 0.00 39.78 35.01 1up8 n ASN 126 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1up8 n SER 127 N -2.87 0.30 -0.08 6.41 3.41 -1.26 -2.55 113.62 116.98 1up8 n SER 127 Ca -0.10 0.61 0.09 0.00 -0.26 0.00 0.00 58.87 59.21 1up8 n SER 127 Cb 0.61 -0.66 0.13 0.00 -0.26 0.00 0.00 64.21 64.03 1up8 n SER 127 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1up8 n SER 128 N -1.86 2.28 0.33 4.04 7.64 -1.26 -4.72 113.62 120.06 1up8 n SER 128 Ca 0.01 -3.03 0.22 0.00 1.01 0.00 0.00 58.87 57.08 1up8 n SER 128 Cb 0.10 -0.41 1.17 0.00 -1.01 0.00 0.00 64.21 64.06 1up8 n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1up8 h ALA 129 N 0.00 1.01 0.00 -0.43 0.00 -1.86 -0.83 119.26 117.14 1up8 h ALA 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1up8 h ALA 129 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1up8 h ALA 129 CO 0.00 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1up8 n GLY 130 N -1.10 -0.98 0.04 0.00 0.00 -1.26 -2.38 105.19 99.51 1up8 n GLY 130 Ca -0.03 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.08 1up8 n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1up8 n LEU 131 N -1.59 0.61 -4.74 0.99 4.77 -0.32 -4.70 117.00 112.02 1up8 n LEU 131 Ca 0.03 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.74 1up8 n LEU 131 Cb 0.16 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1up8 n LEU 131 CO 0.13 0.01 0.91 -0.89 -1.33 0.00 0.00 177.39 176.23 1up8 s THR 132 N -3.11 3.39 0.87 -5.08 2.01 -1.00 -5.05 115.64 107.67 1up8 s THR 132 Ca 0.08 1.19 -0.10 0.00 0.31 0.00 0.00 61.69 63.17 1up8 s THR 132 Cb 0.15 -3.76 0.18 0.00 0.01 0.00 0.00 72.50 69.08 1up8 s THR 132 CO 0.72 0.20 1.20 -0.36 -0.69 0.00 0.00 174.62 175.69 1up8 s PHE 133 N -0.16 1.44 -0.03 4.92 0.40 -1.26 -4.65 117.98 118.64 1up8 s PHE 133 Ca 0.53 0.02 -0.17 0.00 -0.60 0.00 0.00 56.93 56.71 1up8 s PHE 133 Cb -0.34 -3.68 0.03 0.00 0.51 0.00 0.00 43.02 39.54 1up8 s PHE 133 CO 0.39 -2.34 0.36 0.34 0.70 0.00 0.00 175.22 174.67 1up8 s ASP 134 N -4.86 -0.27 0.01 1.36 -1.08 -1.26 -5.03 116.67 105.54 1up8 s ASP 134 Ca 0.72 0.25 0.20 0.00 -0.52 0.00 0.00 52.55 53.20 1up8 s ASP 134 Cb -0.04 0.40 0.85 0.00 -1.46 0.00 0.00 42.92 42.67 1up8 s ASP 134 CO 0.50 -0.43 1.64 0.18 0.52 0.00 0.00 175.17 177.58 1up8 n LEU 135 N 1.43 0.03 -3.75 -1.34 4.77 -1.26 -4.81 117.00 112.08 1up8 n LEU 135 Ca -0.20 0.51 -0.13 0.00 -0.03 0.00 0.00 56.01 56.16 1up8 n LEU 135 Cb 0.56 -0.50 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1up8 n LEU 135 CO 0.21 -0.17 0.04 -1.83 -1.33 0.00 0.00 177.39 174.31 1up8 s GLU 136 N -3.01 0.75 0.00 3.23 -1.05 -1.26 -5.02 118.70 112.35 1up8 s GLU 136 Ca 0.09 -0.32 0.00 0.00 -0.15 0.00 0.00 54.97 54.59 1up8 s GLU 136 Cb 0.13 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 1up8 s GLU 136 CO 0.37 -0.23 0.00 0.41 0.95 0.00 0.00 175.26 176.76 1up8 n GLY 137 N 0.92 -0.55 3.77 -3.83 0.00 -1.26 -4.90 105.19 99.34 1up8 n GLY 137 Ca -0.20 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 1up8 n GLY 137 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1up8 s PRO 138 N -1.40 4.23 0.55 1.61 0.02 -1.26 -4.95 135.00 133.80 1up8 s PRO 138 Ca 0.00 2.39 -0.22 0.00 0.02 0.00 0.00 61.00 63.20 1up8 s PRO 138 Cb 0.00 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.44 1up8 s PRO 138 CO 0.00 -0.38 1.35 -3.47 -0.33 0.00 0.00 177.00 174.16 1up8 n ASP 139 N 0.96 2.63 -0.14 2.53 2.03 -1.26 -4.88 116.55 118.43 1up8 n ASP 139 Ca 0.02 0.97 0.22 0.00 0.52 0.00 0.00 54.79 56.52 1up8 n ASP 139 Cb 0.40 -1.57 0.63 0.00 -0.72 0.00 0.00 41.12 39.86 1up8 n ASP 139 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1up8 h ALA 140 N 1.40 2.47 -0.01 -1.67 0.00 -1.90 -1.72 119.26 117.82 1up8 h ALA 140 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1up8 h ALA 140 Cb 1.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1up8 h ALA 140 CO 0.57 -0.69 -0.31 1.04 0.00 0.00 0.00 179.25 179.85 1up8 n GLN 141 N -4.39 1.24 0.11 0.00 6.02 -1.26 -4.31 117.38 114.78 1up8 n GLN 141 Ca 0.15 -0.92 0.13 0.00 -0.01 0.00 0.00 57.00 56.35 1up8 n GLN 141 Cb 0.72 -1.48 0.42 0.00 1.02 0.00 0.00 30.24 30.92 1up8 n GLN 141 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1up8 n SER 142 N -0.08 0.79 -4.52 1.08 3.41 -0.65 -4.79 113.62 108.86 1up8 n SER 142 Ca 0.12 0.58 -0.24 0.00 -0.26 0.00 0.00 58.87 59.07 1up8 n SER 142 Cb 0.43 -0.79 -0.11 0.00 -0.26 0.00 0.00 64.21 63.48 1up8 n SER 142 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1up8 s ILE 143 N -3.12 1.79 0.03 -1.33 -4.36 -1.26 -2.62 121.20 110.33 1up8 s ILE 143 Ca 0.10 -2.08 -0.00 0.00 -0.26 0.00 0.00 60.65 58.41 1up8 s ILE 143 Cb 0.12 -2.74 -0.03 0.00 1.25 0.00 0.00 42.46 41.07 1up8 s ILE 143 CO 0.58 -0.12 -0.03 0.00 0.24 0.00 0.00 174.94 175.60 1up8 s ALA 144 N -2.89 0.26 0.06 2.27 0.00 -1.26 -4.90 121.76 115.30 1up8 s ALA 144 Ca 0.33 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.53 1up8 s ALA 144 Cb 0.06 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1up8 s ALA 144 CO 0.16 -0.22 0.05 -1.64 0.00 0.00 0.00 175.76 174.10 1up8 s MET 145 N -2.24 2.82 0.86 0.00 -1.94 -1.26 -4.97 119.30 112.57 1up8 s MET 145 Ca -0.09 -0.68 -0.12 0.00 -1.71 0.00 0.00 55.69 53.09 1up8 s MET 145 Cb -0.04 -2.70 0.11 0.00 2.01 0.00 0.00 34.83 34.21 1up8 s MET 145 CO -0.04 0.58 1.11 -1.25 -0.01 0.00 0.00 175.02 175.41 1up8 s PRO 146 N -2.16 1.57 0.28 2.03 0.04 -1.26 -4.50 135.00 130.99 1up8 s PRO 146 Ca 0.26 0.57 -0.29 0.00 0.04 0.00 0.00 61.00 61.58 1up8 s PRO 146 Cb -0.12 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 1up8 s PRO 146 CO 0.18 -1.97 1.26 -2.30 0.04 0.00 0.00 177.00 174.22 1up8 n PRO 147 N -3.66 1.86 -1.83 0.56 -0.02 -1.15 -4.97 135.00 125.79 1up8 n PRO 147 Ca 0.07 0.66 -0.33 0.00 -2.02 0.00 0.00 63.50 61.88 1up8 n PRO 147 Cb 0.57 -2.22 0.04 0.00 -0.02 0.00 0.00 33.50 31.87 1up8 n PRO 147 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1up8 s ALA 148 N -0.65 2.54 0.50 3.55 0.00 -1.26 -4.91 121.76 121.52 1up8 s ALA 148 Ca 0.62 0.52 -0.22 0.00 0.00 0.00 0.00 51.96 52.87 1up8 s ALA 148 Cb -0.65 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.10 1up8 s ALA 148 CO 0.57 -1.16 1.15 -2.30 0.00 0.00 0.00 175.76 174.02 1up8 n PRO 149 N -2.30 1.46 -2.78 0.00 -0.02 -1.26 -4.68 135.00 125.42 1up8 n PRO 149 Ca 0.10 0.53 -0.24 0.00 -2.02 0.00 0.00 63.50 61.87 1up8 n PRO 149 Cb 0.52 -2.30 0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1up8 n PRO 149 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1up8 s VAL 150 N -1.32 4.01 0.34 -1.45 -7.23 -1.26 -4.98 120.40 108.50 1up8 s VAL 150 Ca 0.68 -0.28 0.20 0.00 -1.81 0.00 0.00 61.98 60.78 1up8 s VAL 150 Cb -0.47 -3.52 0.19 0.00 0.56 0.00 0.00 36.38 33.15 1up8 s VAL 150 CO 0.53 -0.43 1.91 -0.07 -0.31 0.00 0.00 175.10 176.73 1up8 h LEU 151 N 0.21 0.00 -1.01 1.32 3.38 -1.95 -2.62 115.31 114.65 1up8 h LEU 151 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1up8 h LEU 151 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1up8 h LEU 151 CO 0.59 0.25 0.00 0.35 0.09 0.00 0.00 178.44 179.72 1up8 n THR 152 N -3.78 0.18 -3.44 0.22 -2.24 -1.26 -4.74 114.28 99.23 1up8 n THR 152 Ca -0.01 -0.31 -0.33 0.00 -2.27 0.00 0.00 64.05 61.12 1up8 n THR 152 Cb 0.35 0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 68.85 1up8 n THR 152 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1up8 s SER 153 N -1.59 6.68 0.32 3.42 1.04 -0.99 -4.98 113.70 117.61 1up8 s SER 153 Ca 0.32 0.92 0.07 0.00 0.48 0.00 0.00 55.95 57.74 1up8 s SER 153 Cb 0.17 -2.23 0.75 0.00 0.10 0.00 0.00 66.02 64.82 1up8 s SER 153 CO 0.26 0.03 1.83 -0.65 0.98 0.00 0.00 173.24 175.68 1up8 h PRO 154 N 3.04 0.74 -0.39 4.02 0.11 -1.92 -2.04 132.00 135.57 1up8 h PRO 154 Ca -0.48 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.60 1up8 h PRO 154 Cb 1.18 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1up8 h PRO 154 CO 0.68 0.49 0.23 1.49 -0.21 0.00 0.00 178.00 180.68 1up8 h GLU 155 N 0.77 0.45 -0.23 1.05 4.81 -1.93 -2.20 114.58 117.29 1up8 h GLU 155 Ca 0.51 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.70 1up8 h GLU 155 Cb 0.78 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1up8 h GLU 155 CO -0.28 0.30 0.08 1.25 -0.73 0.00 0.00 179.01 179.63 1up8 h LEU 156 N 0.47 0.33 -0.84 1.64 7.12 -1.64 -1.25 115.31 121.13 1up8 h LEU 156 Ca 0.15 -0.19 0.10 0.00 0.13 0.00 0.00 57.88 58.07 1up8 h LEU 156 Cb -0.00 -0.09 -0.08 0.00 -0.53 0.00 0.00 40.66 39.97 1up8 h LEU 156 CO -0.07 0.44 0.48 0.58 -0.13 0.00 0.00 178.44 179.74 1up8 h VAL 157 N 0.21 0.89 -0.35 1.05 2.07 -1.25 -0.40 116.25 118.46 1up8 h VAL 157 Ca 0.08 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1up8 h VAL 157 Cb 0.22 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1up8 h VAL 157 CO -0.00 0.14 0.21 0.00 0.02 0.00 0.00 177.57 177.94 1up8 h ALA 158 N 1.47 0.45 0.10 1.67 0.00 -1.23 -0.89 119.26 120.84 1up8 h ALA 158 Ca 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1up8 h ALA 158 Cb 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1up8 h ALA 158 CO -0.26 -0.06 -0.05 0.93 0.00 0.00 0.00 179.25 179.81 1up8 h GLU 159 N 0.46 -0.13 -0.13 0.00 5.08 -0.23 -1.98 114.58 117.65 1up8 h GLU 159 Ca 0.13 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1up8 h GLU 159 Cb 0.00 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1up8 h GLU 159 CO -0.02 0.08 -0.38 0.97 -1.00 0.00 0.00 179.01 178.66 1up8 h ILE 160 N -0.34 1.30 -0.28 3.13 6.09 -1.14 -2.39 117.51 123.88 1up8 h ILE 160 Ca -0.01 -1.46 0.01 0.00 -1.37 0.00 0.00 64.86 62.03 1up8 h ILE 160 Cb 0.28 1.62 -0.02 0.00 0.47 0.00 0.00 36.82 39.18 1up8 h ILE 160 CO 0.02 0.44 0.16 0.00 -3.07 0.00 0.00 178.15 175.70 1up8 h ALA 161 N 1.37 0.34 -0.64 0.18 0.00 -1.02 -2.69 119.26 116.81 1up8 h ALA 161 Ca 0.02 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1up8 h ALA 161 Cb 0.78 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1up8 h ALA 161 CO 0.06 -0.22 0.33 1.49 0.00 0.00 0.00 179.25 180.91 1up8 h GLU 162 N 0.33 0.59 -0.57 0.00 4.81 -1.18 -2.12 114.58 116.43 1up8 h GLU 162 Ca 0.11 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1up8 h GLU 162 Cb 0.01 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1up8 h GLU 162 CO -0.06 0.39 0.07 -0.07 -0.73 0.00 0.00 179.01 178.61 1up8 h LEU 163 N 0.61 0.89 -0.42 1.64 3.38 -1.21 0.30 115.31 120.50 1up8 h LEU 163 Ca 0.30 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1up8 h LEU 163 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1up8 h LEU 163 CO -0.21 0.91 0.24 1.88 0.09 0.00 0.00 178.44 181.36 1up8 h TYR 164 N 0.88 0.56 -0.41 1.13 -1.99 -1.27 -0.32 116.97 115.55 1up8 h TYR 164 Ca 0.18 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.81 1up8 h TYR 164 Cb 0.42 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 1up8 h TYR 164 CO 0.03 0.41 -0.10 -0.07 -0.00 0.00 0.00 178.16 178.43 1up8 h LEU 165 N 0.55 0.70 -0.19 3.88 3.38 -0.80 0.61 115.31 123.44 1up8 h LEU 165 Ca 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1up8 h LEU 165 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1up8 h LEU 165 CO -0.03 0.83 0.09 0.24 0.09 0.00 0.00 178.44 179.67 1up8 h MET 166 N 0.65 0.27 -0.54 1.13 2.86 -0.82 -2.18 114.93 116.30 1up8 h MET 166 Ca 0.12 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1up8 h MET 166 Cb 0.55 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 1up8 h MET 166 CO 0.03 0.28 0.33 0.00 1.06 0.00 0.00 176.91 178.62 1up8 h ALA 167 N 0.97 0.69 0.00 6.32 0.00 -0.20 -1.72 119.26 125.32 1up8 h ALA 167 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1up8 h ALA 167 Cb 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1up8 h ALA 167 CO -0.01 0.05 0.00 -0.07 0.00 0.00 0.00 179.25 179.22 1up8 h LEU 168 N 0.66 0.00 -3.49 0.00 3.38 -0.92 -3.11 115.31 111.83 1up8 h LEU 168 Ca 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1up8 h LEU 168 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1up8 h LEU 168 CO -0.09 0.00 0.03 0.61 0.09 0.00 0.00 178.44 179.08 1up8 n GLY 169 N 0.32 3.46 0.28 0.83 0.00 -0.67 -4.72 105.19 104.68 1up8 n GLY 169 Ca 0.03 -0.98 0.17 0.00 0.00 0.00 0.00 46.02 45.23 1up8 n GLY 169 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1up8 h ARG 170 N 3.08 0.00 -0.19 1.61 3.08 -1.42 -1.81 114.38 118.73 1up8 h ARG 170 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1up8 h ARG 170 Cb 1.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.89 1up8 h ARG 170 CO 0.43 0.03 0.00 0.39 -1.07 0.00 0.00 179.97 179.75 1up8 n GLU 171 N -3.16 1.95 -2.46 0.04 4.71 -1.26 -1.16 120.64 119.30 1up8 n GLU 171 Ca -0.00 -1.42 -0.42 0.00 -0.01 0.00 0.00 57.16 55.31 1up8 n GLU 171 Cb 0.29 -1.44 -0.03 0.00 -1.01 0.00 0.00 31.44 29.25 1up8 n GLU 171 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1up8 s ILE 172 N -1.76 4.17 0.11 -3.67 1.01 -0.68 -4.90 121.20 115.48 1up8 s ILE 172 Ca 0.34 1.55 -0.30 0.00 0.00 0.00 0.00 60.65 62.24 1up8 s ILE 172 Cb 0.19 -3.99 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 1up8 s ILE 172 CO 0.28 0.10 0.99 -1.61 0.00 0.00 0.00 174.94 174.71 1up8 s GLU 173 N 1.21 4.66 0.20 2.79 2.02 -1.26 -2.43 118.70 125.88 1up8 s GLU 173 Ca 0.58 1.50 -0.11 0.00 0.02 0.00 0.00 54.97 56.95 1up8 s GLU 173 Cb -0.28 -3.37 0.25 0.00 0.10 0.00 0.00 34.13 30.83 1up8 s GLU 173 CO 0.28 0.15 1.70 0.74 0.02 0.00 0.00 175.26 178.15 1up8 h PHE 174 N 5.69 0.12 0.00 1.61 -1.00 -1.77 -1.43 116.94 120.15 1up8 h PHE 174 Ca -0.43 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.39 1up8 h PHE 174 Cb 1.21 0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.80 1up8 h PHE 174 CO 0.65 -0.06 0.00 -1.13 -1.61 0.00 0.00 178.31 176.16 1up8 n SER 175 N -5.16 0.00 -0.24 2.17 3.41 -1.26 -2.37 113.62 110.17 1up8 n SER 175 Ca 0.07 0.31 0.09 0.00 -0.26 0.00 0.00 58.87 59.09 1up8 n SER 175 Cb 0.30 -0.38 0.16 0.00 -0.26 0.00 0.00 64.21 64.03 1up8 n SER 175 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1up8 n GLU 176 N -1.38 1.49 -0.33 4.33 -0.58 -0.54 -4.75 120.64 118.88 1up8 n GLU 176 Ca 0.03 -2.71 -0.04 0.00 -0.42 0.00 0.00 57.16 54.03 1up8 n GLU 176 Cb 0.08 -1.56 0.09 0.00 -0.57 0.00 0.00 31.44 29.48 1up8 n GLU 176 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 1up8 h PHE 177 N 0.32 1.17 -0.37 -0.32 -1.00 -1.43 -2.58 116.94 112.72 1up8 h PHE 177 Ca 0.00 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1up8 h PHE 177 Cb 1.06 -0.38 0.00 0.00 3.61 0.00 0.00 35.95 40.23 1up8 h PHE 177 CO 0.16 0.78 0.00 -3.47 -1.61 0.00 0.00 178.31 174.17 1up8 n ASP 178 N -4.40 2.39 -4.84 2.17 -0.08 -1.26 -4.83 116.55 105.70 1up8 n ASP 178 Ca 0.09 -1.92 -0.35 0.00 -1.51 0.00 0.00 54.79 51.11 1up8 n ASP 178 Cb 0.06 -0.25 -0.06 0.00 2.34 0.00 0.00 41.12 43.22 1up8 n ASP 178 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1up8 s SER 179 N -1.22 6.85 0.37 1.67 0.01 -0.97 -4.98 113.70 115.42 1up8 s SER 179 Ca 0.32 1.13 0.17 0.00 1.31 0.00 0.00 55.95 58.89 1up8 s SER 179 Cb 0.17 -2.31 1.10 0.00 0.21 0.00 0.00 66.02 65.19 1up8 s SER 179 CO 0.24 0.07 1.71 -0.65 0.41 0.00 0.00 173.24 175.02 1up8 h PRO 180 N 3.43 0.36 0.00 12.44 0.11 -1.93 -1.81 132.00 144.60 1up8 h PRO 180 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1up8 h PRO 180 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1up8 h PRO 180 CO 0.66 0.24 0.00 1.57 -0.21 0.00 0.00 178.00 180.26 1up8 h LYS 181 N 0.37 0.00 -0.25 1.05 5.09 -1.94 -2.51 116.57 118.39 1up8 h LYS 181 Ca 0.68 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.42 1up8 h LYS 181 Cb 1.65 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.98 1up8 h LYS 181 CO -0.44 0.00 0.00 0.09 -2.09 0.00 0.00 179.45 177.01 1up8 n ASN 182 N -2.78 2.88 -0.31 7.07 3.02 -0.69 -4.73 115.26 119.71 1up8 n ASN 182 Ca 0.01 -1.84 0.05 0.00 -0.03 0.00 0.00 54.58 52.77 1up8 n ASN 182 Cb 0.26 -0.16 0.20 0.00 -0.61 0.00 0.00 39.78 39.48 1up8 n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1up8 h ALA 183 N 3.30 1.29 -0.00 5.41 0.00 -1.28 -1.59 119.26 126.39 1up8 h ALA 183 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1up8 h ALA 183 Cb 0.78 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1up8 h ALA 183 CO 0.00 0.05 0.00 1.49 0.00 0.00 0.00 179.25 180.79 1up8 h GLU 184 N 0.77 0.01 -0.10 0.00 4.57 -1.85 -1.30 114.58 116.68 1up8 h GLU 184 Ca 0.44 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.60 1up8 h GLU 184 Cb 0.50 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1up8 h GLU 184 CO -0.29 0.29 -0.02 -0.92 -1.18 0.00 0.00 179.01 176.89 1up8 h TYR 185 N -0.28 0.22 -0.92 0.92 3.20 -1.88 -1.85 116.97 116.37 1up8 h TYR 185 Ca 0.00 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.87 1up8 h TYR 185 Cb 0.29 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 1up8 h TYR 185 CO 0.02 0.50 0.60 0.82 -1.64 0.00 0.00 178.16 178.46 1up8 h ILE 186 N -0.13 1.13 -0.03 1.81 1.08 -1.35 0.39 117.51 120.41 1up8 h ILE 186 Ca 0.03 -0.39 -0.15 0.00 -0.39 0.00 0.00 64.86 63.95 1up8 h ILE 186 Cb 0.43 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.06 1up8 h ILE 186 CO 0.01 0.21 -0.67 -0.61 -0.69 0.00 0.00 178.15 176.40 1up8 h GLN 187 N 1.14 0.15 -0.11 2.37 5.75 -1.23 -1.60 115.11 121.57 1up8 h GLN 187 Ca 0.38 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 58.76 1up8 h GLN 187 Cb 0.04 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 1up8 h GLN 187 CO -0.13 0.76 0.05 0.35 -2.65 0.00 0.00 178.83 177.21 1up8 h PHE 188 N 0.10 0.15 -0.22 3.99 3.57 -0.44 -0.01 116.94 124.09 1up8 h PHE 188 Ca -0.01 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1up8 h PHE 188 Cb 1.19 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 1up8 h PHE 188 CO 0.02 0.22 -0.02 0.00 -2.23 0.00 0.00 178.31 176.29 1up8 h ALA 189 N 0.92 0.17 -0.52 2.41 0.00 -0.91 0.74 119.26 122.07 1up8 h ALA 189 Ca 0.04 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1up8 h ALA 189 Cb 0.12 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1up8 h ALA 189 CO -0.00 -0.45 0.16 0.82 0.00 0.00 0.00 179.25 179.77 1up8 h ILE 190 N 0.04 1.23 -0.50 0.00 2.04 -1.23 -2.09 117.51 117.02 1up8 h ILE 190 Ca 0.10 -0.80 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 1up8 h ILE 190 Cb 0.14 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1up8 h ILE 190 CO -0.19 0.29 0.01 0.44 0.00 0.00 0.00 178.15 178.70 1up8 h ASP 191 N 0.72 0.86 -0.08 1.72 3.32 -0.80 -1.90 116.42 120.26 1up8 h ASP 191 Ca 0.17 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1up8 h ASP 191 Cb 0.29 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1up8 h ASP 191 CO -0.00 0.95 0.05 1.56 -1.72 0.00 0.00 179.24 180.08 1up8 h GLN 192 N 0.74 0.11 -0.52 3.56 1.08 -0.73 -1.86 115.11 117.49 1up8 h GLN 192 Ca 0.14 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.26 1up8 h GLN 192 Cb 0.51 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1up8 h GLN 192 CO 0.02 0.08 0.05 -0.07 -0.95 0.00 0.00 178.83 177.96 1up8 h LEU 193 N 0.10 0.85 -0.32 1.46 3.38 -1.37 -2.44 115.31 116.97 1up8 h LEU 193 Ca 0.03 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1up8 h LEU 193 Cb -0.01 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1up8 h LEU 193 CO -0.01 0.92 0.00 0.59 0.09 0.00 0.00 178.44 180.04 1up8 n ASN 194 N -4.35 0.23 -0.19 -0.43 3.02 -0.72 -1.69 115.26 111.14 1up8 n ASN 194 Ca 0.01 0.57 0.15 0.00 -0.03 0.00 0.00 54.58 55.28 1up8 n ASN 194 Cb 0.29 -0.61 0.69 0.00 -0.61 0.00 0.00 39.78 39.53 1up8 n ASN 194 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1up8 n GLY 195 N -0.38 -0.68 3.76 7.41 0.00 -0.71 -4.49 105.19 110.10 1up8 n GLY 195 Ca 0.02 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 1up8 n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1up8 s LEU 196 N -2.18 4.06 0.26 0.99 1.43 -0.68 -5.02 118.68 117.54 1up8 s LEU 196 Ca 0.38 0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 53.72 1up8 s LEU 196 Cb 0.21 -2.00 0.55 0.00 0.03 0.00 0.00 46.19 44.98 1up8 s LEU 196 CO 0.40 0.31 1.67 -0.08 0.23 0.00 0.00 176.35 178.88 1up8 h GLU 197 N 5.70 0.25 -0.88 1.70 4.81 -1.89 -1.30 114.58 122.97 1up8 h GLU 197 Ca -0.47 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 58.84 1up8 h GLU 197 Cb 1.19 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.44 1up8 h GLU 197 CO 0.63 0.17 0.53 2.35 -0.73 0.00 0.00 179.01 181.96 1up8 h TRP 198 N 0.26 0.96 0.00 0.92 2.91 -1.85 -1.64 115.95 117.50 1up8 h TRP 198 Ca 0.46 0.03 -0.22 0.00 1.13 0.00 0.00 58.89 60.29 1up8 h TRP 198 Cb 0.84 -0.30 -0.04 0.00 -0.51 0.00 0.00 29.16 29.15 1up8 h TRP 198 CO -0.26 0.40 -1.29 0.74 -1.03 0.00 0.00 178.44 177.00 1up8 h PHE 199 N 0.88 0.00 -0.08 2.65 -1.00 -1.49 -3.38 116.94 114.52 1up8 h PHE 199 Ca 0.42 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.20 1up8 h PHE 199 Cb 0.37 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.93 1up8 h PHE 199 CO -0.04 0.88 0.00 0.27 -1.61 0.00 0.00 178.31 177.81 1up8 n ASN 200 N -3.14 2.57 -4.01 2.17 0.23 -0.58 -3.43 115.26 109.06 1up8 n ASN 200 Ca -0.08 -1.85 -0.17 0.00 -0.53 0.00 0.00 54.58 51.95 1up8 n ASN 200 Cb 0.95 -0.04 -0.14 0.00 -2.08 0.00 0.00 39.78 38.47 1up8 n ASN 200 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1up8 s THR 201 N -1.92 0.60 0.71 5.53 2.01 -0.64 -5.02 115.64 116.91 1up8 s THR 201 Ca 0.32 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.79 1up8 s THR 201 Cb 0.20 -0.52 0.02 0.00 0.01 0.00 0.00 72.50 72.21 1up8 s THR 201 CO 0.31 0.11 1.10 -2.16 -0.69 0.00 0.00 174.62 173.29 1up8 s PRO 202 N -0.34 2.79 0.96 4.92 0.04 -1.26 -4.75 135.00 137.35 1up8 s PRO 202 Ca 0.02 0.47 -0.11 0.00 0.04 0.00 0.00 61.00 61.42 1up8 s PRO 202 Cb -0.04 -2.01 0.16 0.00 0.04 0.00 0.00 34.50 32.65 1up8 s PRO 202 CO -0.00 -1.09 1.05 0.00 0.04 0.00 0.00 177.00 177.01 1up8 n ALA 203 N -3.04 -1.29 -2.48 8.56 0.00 -1.26 -5.05 120.51 115.95 1up8 n ALA 203 Ca 0.07 -0.66 -0.31 0.00 0.00 0.00 0.00 53.44 52.55 1up8 n ALA 203 Cb 0.57 -2.13 -0.12 0.00 0.00 0.00 0.00 19.45 17.77 1up8 n ALA 203 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1up8 s LYS 204 N -4.51 2.07 0.15 0.00 2.20 -1.26 -5.06 119.74 113.33 1up8 s LYS 204 Ca 0.66 -0.99 -0.34 0.00 -0.36 0.00 0.00 55.97 54.94 1up8 s LYS 204 Cb -0.23 -2.21 -0.15 0.00 -1.51 0.00 0.00 37.83 33.73 1up8 s LYS 204 CO 0.60 0.53 1.44 -0.11 -0.36 0.00 0.00 175.35 177.45 1up8 n LEU 205 N 1.37 2.51 0.00 5.43 7.94 -1.26 -1.41 117.00 131.58 1up8 n LEU 205 Ca -0.16 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 1up8 n LEU 205 Cb 0.52 -1.34 0.00 0.00 0.53 0.00 0.00 43.42 43.14 1up8 n LEU 205 CO 0.28 -0.65 0.00 0.61 -1.11 0.00 0.00 177.39 176.52 1up8 n GLY 206 N 2.82 1.15 3.75 -3.96 0.00 -1.26 -5.08 105.19 102.60 1up8 n GLY 206 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1up8 n GLY 206 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1up8 s ASP 207 N -2.02 4.81 0.21 1.61 1.01 -0.50 -4.94 116.67 116.85 1up8 s ASP 207 Ca 0.00 2.28 -0.32 0.00 0.71 0.00 0.00 52.55 55.22 1up8 s ASP 207 Cb 0.00 -2.58 -0.14 0.00 1.01 0.00 0.00 42.92 41.21 1up8 s ASP 207 CO 0.00 -1.85 1.38 -2.65 0.21 0.00 0.00 175.17 172.26 1up8 n PRO 208 N -2.19 1.85 -0.27 8.23 -0.02 -1.26 -4.83 135.00 136.51 1up8 n PRO 208 Ca 0.13 0.66 0.24 0.00 -2.02 0.00 0.00 63.50 62.50 1up8 n PRO 208 Cb 0.50 -2.30 0.57 0.00 -0.02 0.00 0.00 33.50 32.26 1up8 n PRO 208 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1up8 h PRO 209 N 4.27 0.28 -0.35 0.52 0.11 -1.99 -2.05 132.00 132.78 1up8 h PRO 209 Ca -0.45 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 1up8 h PRO 209 Cb 1.29 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1up8 h PRO 209 CO 0.76 0.18 -0.22 0.00 -0.21 0.00 0.00 178.00 178.52 1up8 h ALA 210 N 1.58 0.96 -0.31 -0.75 0.00 -2.00 -1.75 119.26 116.99 1up8 h ALA 210 Ca 0.51 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1up8 h ALA 210 Cb 1.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1up8 h ALA 210 CO -0.17 0.61 0.09 0.93 0.00 0.00 0.00 179.25 180.71 1up8 h GLU 211 N 0.60 0.48 -1.00 0.00 5.08 -1.75 -2.82 114.58 115.17 1up8 h GLU 211 Ca 0.09 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1up8 h GLU 211 Cb 0.70 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 1up8 h GLU 211 CO 0.05 0.53 0.65 0.82 -1.00 0.00 0.00 179.01 180.07 1up8 h ILE 212 N 0.34 1.17 -0.50 3.13 2.04 -1.21 -0.97 117.51 121.51 1up8 h ILE 212 Ca 0.10 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 1up8 h ILE 212 Cb 0.25 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 1up8 h ILE 212 CO -0.00 0.23 -0.09 -0.09 0.00 0.00 0.00 178.15 178.19 1up8 h ARG 213 N 1.26 0.90 -0.01 2.37 2.43 -1.26 -3.29 114.38 116.79 1up8 h ARG 213 Ca 0.40 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1up8 h ARG 213 Cb 0.01 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1up8 h ARG 213 CO -0.13 0.95 -0.64 2.89 -1.51 0.00 0.00 179.97 181.54 1up8 n ARG 214 N -4.16 0.85 -2.10 0.20 1.85 -1.03 -4.96 116.66 107.31 1up8 n ARG 214 Ca 0.02 -0.69 -0.41 0.00 -1.00 0.00 0.00 57.85 55.76 1up8 n ARG 214 Cb 0.38 -1.48 -0.02 0.00 -1.05 0.00 0.00 32.46 30.28 1up8 n ARG 214 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1up8 s ARG 215 N -2.64 4.33 0.20 2.89 3.52 -0.40 -5.02 118.95 121.83 1up8 s ARG 215 Ca 0.15 2.21 0.05 0.00 -0.13 0.00 0.00 55.73 58.01 1up8 s ARG 215 Cb 0.17 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.40 1up8 s ARG 215 CO 0.66 -0.31 0.23 1.03 -0.81 0.00 0.00 175.30 176.10 1up8 s ARG 216 N -0.63 3.12 0.00 5.12 0.52 -1.26 -5.04 118.95 120.78 1up8 s ARG 216 Ca 0.56 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.92 1up8 s ARG 216 Cb -0.40 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.34 1up8 s ARG 216 CO 0.44 0.46 0.00 0.41 0.02 0.00 0.00 175.30 176.63 1up8 n GLY 217 N -0.84 2.60 3.52 -3.53 0.00 -1.26 -4.29 105.19 101.40 1up8 n GLY 217 Ca -0.08 -1.93 -0.63 0.00 0.00 0.00 0.00 46.02 43.38 1up8 n GLY 217 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1up8 n GLU 218 N 0.00 0.00 -2.92 1.61 4.07 -1.22 -4.82 120.64 117.36 1up8 n GLU 218 Ca 0.00 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.70 1up8 n GLU 218 Cb 0.00 -1.43 -0.04 0.00 -0.06 0.00 0.00 31.44 29.90 1up8 n GLU 218 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1up8 s VAL 219 N 2.10 4.82 0.30 6.31 1.01 -1.26 -5.00 120.40 128.67 1up8 s VAL 219 Ca 0.97 1.71 0.02 0.00 0.00 0.00 0.00 61.98 64.68 1up8 s VAL 219 Cb -1.38 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 30.81 1up8 s VAL 219 CO 0.72 0.29 0.13 0.42 0.00 0.00 0.00 175.10 176.66 1up8 s THR 220 N 0.39 0.46 0.43 3.92 -4.23 -1.26 -4.94 115.64 110.41 1up8 s THR 220 Ca 0.42 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.05 1up8 s THR 220 Cb -0.20 -2.56 0.18 0.00 1.34 0.00 0.00 72.50 71.26 1up8 s THR 220 CO 0.23 0.00 1.97 1.62 -0.54 0.00 0.00 174.62 177.91 1up8 h VAL 221 N 2.24 1.14 0.00 2.29 3.04 -1.97 -0.14 116.25 122.85 1up8 h VAL 221 Ca -0.36 -0.64 -0.07 0.00 -1.01 0.00 0.00 66.70 64.63 1up8 h VAL 221 Cb 1.25 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 31.76 1up8 h VAL 221 CO 0.56 0.19 -0.32 1.23 -1.01 0.00 0.00 177.57 178.23 1up8 h GLY 222 N 0.59 0.00 -0.52 3.17 0.00 -1.98 -3.27 103.07 101.07 1up8 h GLY 222 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1up8 h GLY 222 CO 0.02 0.00 -0.21 1.16 0.00 0.00 0.00 176.54 177.51 1up8 n ASN 223 N -3.38 1.31 -4.68 0.19 0.23 -0.96 -4.93 115.26 103.05 1up8 n ASN 223 Ca 0.01 -1.16 -0.47 0.00 -0.53 0.00 0.00 54.58 52.43 1up8 n ASN 223 Cb 0.52 0.43 -0.04 0.00 -2.08 0.00 0.00 39.78 38.61 1up8 n ASN 223 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1up8 n LEU 224 N -0.17 3.42 -0.92 -4.53 7.94 -0.11 -1.86 117.00 120.78 1up8 n LEU 224 Ca 0.05 1.00 -0.12 0.00 -1.11 0.00 0.00 56.01 55.82 1up8 n LEU 224 Cb 0.23 -1.40 -0.05 0.00 0.53 0.00 0.00 43.42 42.73 1up8 n LEU 224 CO 0.13 -0.09 -0.11 0.49 -1.11 0.00 0.00 177.39 176.70 1up8 n PHE 225 N 5.88 0.00 -3.51 1.96 0.99 -1.26 -5.01 117.46 116.50 1up8 n PHE 225 Ca 0.21 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.47 1up8 n PHE 225 Cb 0.30 -2.37 -0.01 0.00 -1.00 0.00 0.00 39.48 36.40 1up8 n PHE 225 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1up8 s ARG 226 N -2.90 3.08 0.35 -1.08 0.52 -0.77 -5.01 118.95 113.13 1up8 s ARG 226 Ca 0.00 -1.04 -0.04 0.00 -0.52 0.00 0.00 55.73 54.13 1up8 s ARG 226 Cb 0.00 -2.78 0.08 0.00 0.52 0.00 0.00 34.95 32.76 1up8 s ARG 226 CO 0.00 0.07 0.47 0.41 0.02 0.00 0.00 175.30 176.28 1up8 n GLY 227 N -1.61 -0.39 0.00 -3.53 0.00 -1.26 -5.06 105.19 93.35 1up8 n GLY 227 Ca -0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1up8 n GLY 227 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1up8 n ILE 228 N -2.40 0.68 -2.08 -0.61 -5.35 -1.26 -4.72 119.36 103.62 1up8 n ILE 228 Ca 0.07 -0.78 -0.40 0.00 -0.27 0.00 0.00 62.75 61.36 1up8 n ILE 228 Cb 0.23 0.69 -0.01 0.00 -1.74 0.00 0.00 39.64 38.81 1up8 n ILE 228 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1up8 s LEU 229 N -0.68 4.28 0.06 7.28 1.43 -1.26 -4.88 118.68 124.90 1up8 s LEU 229 Ca 0.00 2.66 -0.32 0.00 -1.03 0.00 0.00 54.13 55.44 1up8 s LEU 229 Cb 0.00 -3.83 -0.11 0.00 0.03 0.00 0.00 46.19 42.28 1up8 s LEU 229 CO 0.00 -0.75 1.83 -0.81 0.23 0.00 0.00 176.35 176.85 1up8 n PRO 230 N 0.32 2.54 0.00 1.29 -0.04 -1.26 -1.77 135.00 136.08 1up8 n PRO 230 Ca 0.03 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 1up8 n PRO 230 Cb 0.43 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 1up8 n PRO 230 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1up8 n GLY 231 N 4.21 2.54 0.22 0.55 0.00 -1.26 -4.65 105.19 106.80 1up8 n GLY 231 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.32 1up8 n GLY 231 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1up8 h SER 232 N 0.29 0.00 -0.44 1.61 0.02 -1.56 -3.22 113.55 110.25 1up8 h SER 232 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1up8 h SER 232 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1up8 h SER 232 CO 0.00 0.19 0.00 -0.62 -1.14 0.00 0.00 176.83 175.26 1up8 n GLU 233 N -3.24 2.76 -4.76 3.45 1.02 -1.26 -4.84 120.64 113.77 1up8 n GLU 233 Ca 0.01 -2.19 -0.33 0.00 -0.02 0.00 0.00 57.16 54.63 1up8 n GLU 233 Cb 0.49 -1.35 -0.13 0.00 -0.02 0.00 0.00 31.44 30.43 1up8 n GLU 233 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1up8 s VAL 234 N -1.01 3.31 0.00 2.62 -7.23 -1.22 -4.94 120.40 111.93 1up8 s VAL 234 Ca 0.30 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.85 1up8 s VAL 234 Cb 0.16 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.76 1up8 s VAL 234 CO 0.21 0.58 0.00 0.61 -0.31 0.00 0.00 175.10 176.18 1up8 n GLY 235 N 2.55 -1.50 3.72 2.32 0.00 -1.26 -4.92 105.19 106.11 1up8 n GLY 235 Ca -0.18 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 1up8 n GLY 235 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1up8 s PRO 236 N 0.00 1.95 0.12 1.61 0.02 -1.26 -4.96 135.00 132.48 1up8 s PRO 236 Ca 0.00 1.64 -0.20 0.00 0.02 0.00 0.00 61.00 62.46 1up8 s PRO 236 Cb 0.00 -1.82 -0.06 0.00 0.02 0.00 0.00 34.50 32.64 1up8 s PRO 236 CO 0.00 -1.95 1.75 -0.92 -0.33 0.00 0.00 177.00 175.55 1up8 h TYR 237 N -0.68 0.11 -3.34 6.54 3.20 -1.91 -3.42 116.97 117.46 1up8 h TYR 237 Ca -0.46 0.01 -0.56 0.00 3.14 0.00 0.00 58.73 60.86 1up8 h TYR 237 Cb 1.28 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.48 1up8 h TYR 237 CO 0.49 0.05 0.04 -0.51 -1.64 0.00 0.00 178.16 176.60 1up8 s LEU 238 N -10.25 4.47 0.32 2.82 1.43 -1.26 -4.95 118.68 111.25 1up8 s LEU 238 Ca -0.13 1.30 -0.29 0.00 -1.03 0.00 0.00 54.13 53.98 1up8 s LEU 238 Cb 0.09 -3.03 -0.12 0.00 0.03 0.00 0.00 46.19 43.16 1up8 s LEU 238 CO 0.69 0.14 1.35 -0.24 0.23 0.00 0.00 176.35 178.51 1up8 n SER 239 N 2.38 2.92 -0.26 2.29 2.88 -1.26 -4.87 113.62 117.70 1up8 n SER 239 Ca -0.07 1.19 0.29 0.00 -1.33 0.00 0.00 58.87 58.95 1up8 n SER 239 Cb 0.50 -1.49 0.67 0.00 -0.75 0.00 0.00 64.21 63.14 1up8 n SER 239 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1up8 h GLN 240 N 3.06 0.11 0.00 -1.46 1.08 -1.91 -1.99 115.11 114.00 1up8 h GLN 240 Ca -0.46 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1up8 h GLN 240 Cb 1.27 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1up8 h GLN 240 CO 0.66 0.07 0.00 0.66 -0.95 0.00 0.00 178.83 179.28 1up8 n TYR 241 N -4.33 0.00 0.60 2.96 0.53 -1.26 -1.47 117.16 114.18 1up8 n TYR 241 Ca 0.22 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 57.17 1up8 n TYR 241 Cb 1.01 -0.30 0.04 0.00 -1.03 0.00 0.00 39.34 39.06 1up8 n TYR 241 CO 0.00 0.00 0.00 1.51 -1.02 0.00 0.00 176.86 177.35 1up8 n ILE 242 N -1.30 0.00 0.00 -0.72 3.06 -0.75 -4.61 119.36 115.04 1up8 n ILE 242 Ca 0.13 -0.45 0.00 0.00 -2.50 0.00 0.00 62.75 59.93 1up8 n ILE 242 Cb 0.24 1.25 0.00 0.00 0.54 0.00 0.00 39.64 41.67 1up8 n ILE 242 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 1up8 n ILE 243 N 0.47 0.00 -3.21 9.51 -5.35 -1.09 -4.83 119.36 114.86 1up8 n ILE 243 Ca 0.07 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.23 1up8 n ILE 243 Cb 0.33 -0.40 -0.06 0.00 -1.74 0.00 0.00 39.64 37.78 1up8 n ILE 243 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1up8 s VAL 244 N -1.58 4.78 0.00 7.28 -7.23 -0.54 -4.39 120.40 118.72 1up8 s VAL 244 Ca 0.00 0.74 0.00 0.00 -1.81 0.00 0.00 61.98 60.91 1up8 s VAL 244 Cb 0.00 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.31 1up8 s VAL 244 CO 0.00 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 1up8 n GLY 245 N -0.39 0.02 3.46 2.32 0.00 -0.20 -4.76 105.19 105.64 1up8 n GLY 245 Ca 0.02 -1.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.05 1up8 n GLY 245 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1up8 s SER 246 N -1.00 2.37 0.47 1.61 1.04 -0.66 -4.85 113.70 112.68 1up8 s SER 246 Ca 0.00 -1.48 -0.22 0.00 0.48 0.00 0.00 55.95 54.73 1up8 s SER 246 Cb 0.00 0.16 -0.10 0.00 0.10 0.00 0.00 66.02 66.18 1up8 s SER 246 CO 0.00 -0.74 0.86 1.17 0.98 0.00 0.00 173.24 175.51 1up8 n LYS 247 N -0.74 1.03 -4.22 4.02 4.81 -1.26 -3.90 118.16 117.90 1up8 n LYS 247 Ca -0.03 0.38 -0.23 0.00 -0.87 0.00 0.00 58.31 57.55 1up8 n LYS 247 Cb 0.66 -1.93 -0.07 0.00 0.02 0.00 0.00 35.03 33.71 1up8 n LYS 247 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1up8 s GLN 248 N -2.08 2.27 0.18 1.64 -1.52 -1.26 -4.43 119.66 114.46 1up8 s GLN 248 Ca 0.66 -1.56 -0.32 0.00 -1.95 0.00 0.00 55.36 52.19 1up8 s GLN 248 Cb -0.53 -2.11 -0.11 0.00 -0.22 0.00 0.00 33.01 30.05 1up8 s GLN 248 CO 0.55 0.19 1.66 0.42 -0.25 0.00 0.00 175.29 177.87 1up8 s ILE 249 N -2.42 2.36 0.00 1.08 -1.09 -1.26 -2.47 121.20 117.40 1up8 s ILE 249 Ca 0.35 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 1up8 s ILE 249 Cb -0.03 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1up8 s ILE 249 CO 0.21 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.54 1up8 n GLY 250 N 3.91 2.70 3.63 6.18 0.00 -1.26 -4.63 105.19 115.72 1up8 n GLY 250 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1up8 n GLY 250 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1up8 s SER 251 N -1.49 6.73 0.03 1.61 0.01 -1.03 -2.50 113.70 117.06 1up8 s SER 251 Ca 0.00 0.87 -0.27 0.00 1.31 0.00 0.00 55.95 57.86 1up8 s SER 251 Cb 0.00 -2.40 0.09 0.00 0.21 0.00 0.00 66.02 63.92 1up8 s SER 251 CO 0.00 -0.49 0.76 0.00 0.41 0.00 0.00 173.24 173.92 1up8 s ALA 252 N 2.77 -1.74 -0.26 1.44 0.00 -0.77 -4.89 121.76 118.30 1up8 s ALA 252 Ca 0.32 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 53.14 1up8 s ALA 252 Cb -0.15 0.42 -0.00 0.00 0.00 0.00 0.00 23.12 23.39 1up8 s ALA 252 CO 0.09 -0.63 0.04 0.99 0.00 0.00 0.00 175.76 176.24 1up8 s THR 253 N -2.87 3.82 -0.55 0.00 2.01 -1.26 -0.79 115.64 115.99 1up8 s THR 253 Ca 0.00 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.45 1up8 s THR 253 Cb -0.01 -2.88 0.14 0.00 0.01 0.00 0.00 72.50 69.77 1up8 s THR 253 CO -0.07 0.22 0.33 -0.69 -0.69 0.00 0.00 174.62 173.72 1up8 s VAL 254 N 1.51 3.11 0.00 3.82 1.01 -0.61 -5.02 120.40 124.22 1up8 s VAL 254 Ca 0.04 -3.05 0.00 0.00 0.00 0.00 0.00 61.98 58.97 1up8 s VAL 254 Cb -0.16 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1up8 s VAL 254 CO 0.01 -0.82 0.00 0.61 0.00 0.00 0.00 175.10 174.90 1up8 n GLY 255 N 3.40 3.26 0.31 4.51 0.00 -1.26 -2.39 105.19 113.02 1up8 n GLY 255 Ca 0.06 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1up8 n GLY 255 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1up8 n ASN 256 N 8.83 1.08 -4.63 1.61 0.23 -1.26 -4.91 115.26 116.22 1up8 n ASN 256 Ca 0.00 -1.10 -0.34 0.00 -0.53 0.00 0.00 54.58 52.61 1up8 n ASN 256 Cb 0.00 0.04 -0.10 0.00 -2.08 0.00 0.00 39.78 37.64 1up8 n ASN 256 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1up8 s LYS 257 N -2.27 3.90 -0.24 -3.83 2.20 -1.01 -5.10 119.74 113.40 1up8 s LYS 257 Ca 0.32 -0.36 -0.14 0.00 -0.36 0.00 0.00 55.97 55.42 1up8 s LYS 257 Cb 0.20 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 33.32 1up8 s LYS 257 CO 0.43 0.30 0.34 0.99 -0.36 0.00 0.00 175.35 177.05 1up8 s THR 258 N 0.29 5.22 0.01 3.43 2.01 -1.26 -1.57 115.64 123.77 1up8 s THR 258 Ca 0.03 0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1up8 s THR 258 Cb -0.12 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1up8 s THR 258 CO 0.01 0.23 0.09 -0.76 -0.69 0.00 0.00 174.62 173.50 1up8 s LEU 259 N 1.57 3.92 -0.13 4.42 1.43 0.02 -5.00 118.68 124.92 1up8 s LEU 259 Ca 0.15 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1up8 s LEU 259 Cb -0.15 -2.34 -0.00 0.00 0.03 0.00 0.00 46.19 43.73 1up8 s LEU 259 CO 0.08 0.25 -0.18 -0.69 0.23 0.00 0.00 176.35 176.05 1up8 s VAL 260 N -1.24 2.56 0.32 -1.59 1.01 -1.21 -1.85 120.40 118.39 1up8 s VAL 260 Ca 0.24 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 1up8 s VAL 260 Cb -0.12 -2.05 -0.12 0.00 0.00 0.00 0.00 36.38 34.10 1up8 s VAL 260 CO 0.16 0.53 1.55 -0.24 0.00 0.00 0.00 175.10 177.10 1up8 n SER 261 N 3.72 3.78 0.03 3.32 2.88 -1.04 -4.61 113.62 121.70 1up8 n SER 261 Ca -0.19 1.17 0.04 0.00 -1.33 0.00 0.00 58.87 58.56 1up8 n SER 261 Cb 0.52 -1.59 0.18 0.00 -0.75 0.00 0.00 64.21 62.57 1up8 n SER 261 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1up8 n PRO 262 N 1.60 0.03 -0.27 -1.46 -0.02 -1.26 -1.95 135.00 131.67 1up8 n PRO 262 Ca 0.06 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 62.08 1up8 n PRO 262 Cb 0.37 -1.58 0.17 0.00 -0.02 0.00 0.00 33.50 32.44 1up8 n PRO 262 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1up8 n ASN 263 N -1.65 2.33 -0.21 2.55 3.02 -1.26 -4.77 115.26 115.28 1up8 n ASN 263 Ca 0.01 -3.32 0.26 0.00 -0.03 0.00 0.00 54.58 51.50 1up8 n ASN 263 Cb 0.06 -0.47 0.66 0.00 -0.61 0.00 0.00 39.78 39.41 1up8 n ASN 263 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1up8 h ALA 264 N 0.45 2.64 0.00 5.41 0.00 -1.76 -1.39 119.26 124.62 1up8 h ALA 264 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1up8 h ALA 264 Cb 1.07 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1up8 h ALA 264 CO 0.04 -0.92 -0.07 0.00 0.00 0.00 0.00 179.25 178.30 1up8 h ALA 265 N 1.57 1.02 -0.10 0.00 0.00 -1.86 -2.87 119.26 117.02 1up8 h ALA 265 Ca 0.45 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.32 1up8 h ALA 265 Cb 1.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1up8 h ALA 265 CO -0.07 0.09 0.09 -0.44 0.00 0.00 0.00 179.25 178.92 1up8 h ASP 266 N 0.00 0.00 -0.74 0.00 5.19 -1.62 -1.32 116.42 117.93 1up8 h ASP 266 Ca -0.00 0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.50 1up8 h ASP 266 Cb 0.59 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.03 1up8 h ASP 266 CO 0.01 0.00 0.38 -0.08 -3.12 0.00 0.00 179.24 176.43 1up8 h GLU 267 N 0.00 0.63 -0.29 3.56 4.81 -1.62 -2.15 114.58 119.52 1up8 h GLU 267 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1up8 h GLU 267 Cb 0.23 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1up8 h GLU 267 CO -0.00 0.42 0.00 1.19 -0.73 0.00 0.00 179.01 179.89 1up8 n PHE 268 N -4.83 0.37 -1.08 0.92 3.01 -0.51 -1.03 117.46 114.31 1up8 n PHE 268 Ca 0.12 -0.19 0.06 0.00 1.01 0.00 0.00 57.45 58.45 1up8 n PHE 268 Cb 0.28 0.00 0.24 0.00 -0.01 0.00 0.00 39.48 39.98 1up8 n PHE 268 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1up8 n ASP 269 N 0.86 3.52 -0.44 4.37 2.03 -0.96 -4.34 116.55 121.59 1up8 n ASP 269 Ca 0.17 -3.16 -0.04 0.00 0.52 0.00 0.00 54.79 52.28 1up8 n ASP 269 Cb 0.45 -0.56 -0.01 0.00 -0.72 0.00 0.00 41.12 40.29 1up8 n ASP 269 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1up8 n GLY 270 N -0.70 0.30 3.47 0.27 0.00 -1.17 -4.88 105.19 102.48 1up8 n GLY 270 Ca 0.23 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 1up8 n GLY 270 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1up8 s GLU 271 N -3.82 3.33 -0.02 1.61 2.02 -0.85 -1.00 118.70 119.97 1up8 s GLU 271 Ca 0.00 -0.74 -0.28 0.00 0.02 0.00 0.00 54.97 53.97 1up8 s GLU 271 Cb 0.00 -3.69 -0.03 0.00 0.10 0.00 0.00 34.13 30.51 1up8 s GLU 271 CO 0.00 -0.47 0.91 0.42 0.02 0.00 0.00 175.26 176.15 1up8 s ILE 272 N 1.65 4.91 -0.09 -1.63 1.01 0.33 -1.66 121.20 125.72 1up8 s ILE 272 Ca 0.05 1.91 -0.29 0.00 0.00 0.00 0.00 60.65 62.32 1up8 s ILE 272 Cb -0.17 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 1up8 s ILE 272 CO 0.08 0.17 1.66 0.00 0.00 0.00 0.00 174.94 176.85 1up8 s ALA 273 N 1.01 3.52 -0.55 9.38 0.00 -1.26 -1.60 121.76 132.26 1up8 s ALA 273 Ca 0.48 0.83 0.04 0.00 0.00 0.00 0.00 51.96 53.31 1up8 s ALA 273 Cb -0.20 -3.77 0.14 0.00 0.00 0.00 0.00 23.12 19.28 1up8 s ALA 273 CO 0.25 -1.55 0.31 -0.47 0.00 0.00 0.00 175.76 174.30 1up8 s TYR 274 N 4.39 3.16 0.00 0.00 6.04 0.11 -4.86 117.35 126.19 1up8 s TYR 274 Ca 0.73 -3.15 0.00 0.00 0.04 0.00 0.00 57.07 54.69 1up8 s TYR 274 Cb -0.31 -2.72 0.00 0.00 -1.04 0.00 0.00 41.96 37.89 1up8 s TYR 274 CO 0.29 -0.70 0.00 0.41 -1.54 0.00 0.00 175.55 174.01 1up8 n GLY 275 N 2.90 3.98 1.04 8.97 0.00 -1.26 -1.36 105.19 119.47 1up8 n GLY 275 Ca 0.08 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1up8 n GLY 275 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1up8 n SER 276 N 7.47 3.14 -0.29 1.61 7.64 -1.26 -4.93 113.62 127.00 1up8 n SER 276 Ca 0.00 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 57.93 1up8 n SER 276 Cb 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1up8 n SER 276 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1up8 n ILE 277 N 1.30 0.00 -4.07 0.44 -5.35 -0.46 -5.11 119.36 106.11 1up8 n ILE 277 Ca 0.18 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.58 1up8 n ILE 277 Cb 0.57 -0.30 -0.10 0.00 -1.74 0.00 0.00 39.64 38.06 1up8 n ILE 277 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1up8 s THR 278 N 1.06 0.30 -0.11 7.28 -4.23 -1.26 -0.72 115.64 117.96 1up8 s THR 278 Ca 0.00 -1.50 -0.02 0.00 -1.18 0.00 0.00 61.69 58.99 1up8 s THR 278 Cb 0.00 -1.10 -0.03 0.00 1.34 0.00 0.00 72.50 72.71 1up8 s THR 278 CO 0.00 -0.77 -0.04 -0.63 -0.54 0.00 0.00 174.62 172.64 1up8 s ILE 279 N -2.91 3.92 -0.18 2.99 1.01 -0.63 -4.84 121.20 120.56 1up8 s ILE 279 Ca -0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 1up8 s ILE 279 Cb 0.01 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 1up8 s ILE 279 CO -0.05 0.55 0.16 -0.55 0.00 0.00 0.00 174.94 175.04 1up8 s SER 280 N -0.25 6.28 0.00 3.58 0.15 -1.26 -0.51 113.70 121.69 1up8 s SER 280 Ca 0.04 0.32 0.22 0.00 0.70 0.00 0.00 55.95 57.24 1up8 s SER 280 Cb -0.13 -2.10 1.29 0.00 -1.71 0.00 0.00 66.02 63.38 1up8 s SER 280 CO 0.02 0.21 1.69 0.00 1.20 0.00 0.00 173.24 176.36 1up8 n GLN 281 N 3.23 0.66 -2.74 5.44 1.13 -0.17 -4.85 117.38 120.08 1up8 n GLN 281 Ca -0.16 0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 54.49 1up8 n GLN 281 Cb 0.52 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.34 1up8 n GLN 281 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1up8 s ARG 282 N -2.04 4.48 0.14 -1.09 0.52 -1.26 -4.57 118.95 115.13 1up8 s ARG 282 Ca 0.32 1.35 -0.05 0.00 -0.52 0.00 0.00 55.73 56.83 1up8 s ARG 282 Cb 0.15 -3.50 -0.06 0.00 0.52 0.00 0.00 34.95 32.07 1up8 s ARG 282 CO 0.26 -0.16 0.37 0.54 0.02 0.00 0.00 175.30 176.33 1up8 s VAL 283 N 1.43 5.17 0.67 3.52 0.11 0.31 -4.66 120.40 126.95 1up8 s VAL 283 Ca 0.49 0.03 -0.17 0.00 -2.93 0.00 0.00 61.98 59.39 1up8 s VAL 283 Cb -0.19 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.03 1up8 s VAL 283 CO 0.23 0.05 1.27 -0.13 -3.33 0.00 0.00 175.10 173.18 1up8 s ARG 284 N -2.64 2.45 -0.41 1.54 1.81 -1.26 -1.59 118.95 118.86 1up8 s ARG 284 Ca 0.41 1.98 -0.08 0.00 -1.72 0.00 0.00 55.73 56.32 1up8 s ARG 284 Cb -0.12 -1.84 0.08 0.00 -0.45 0.00 0.00 34.95 32.62 1up8 s ARG 284 CO 0.25 -1.65 0.24 0.42 -0.68 0.00 0.00 175.30 173.87 1up8 s ILE 285 N -1.56 3.99 0.32 1.52 1.01 -1.26 -4.89 121.20 120.34 1up8 s ILE 285 Ca 0.80 -1.53 -0.28 0.00 0.00 0.00 0.00 60.65 59.65 1up8 s ILE 285 Cb -0.35 -3.49 -0.09 0.00 0.01 0.00 0.00 42.46 38.54 1up8 s ILE 285 CO 0.41 -0.53 1.10 0.00 0.00 0.00 0.00 174.94 175.92 1up8 s ALA 286 N 1.36 3.30 -0.38 9.38 0.00 -1.26 -0.12 121.76 134.04 1up8 s ALA 286 Ca 0.03 0.87 -0.41 0.00 0.00 0.00 0.00 51.96 52.45 1up8 s ALA 286 Cb -0.23 -3.32 -0.16 0.00 0.00 0.00 0.00 23.12 19.40 1up8 s ALA 286 CO 0.01 -0.23 1.89 2.41 0.00 0.00 0.00 175.76 179.84 1up8 n THR 287 N 0.75 0.16 -1.76 0.00 -1.04 -1.00 -4.77 114.28 106.62 1up8 n THR 287 Ca 0.01 -0.08 -0.41 0.00 -2.04 0.00 0.00 64.05 61.53 1up8 n THR 287 Cb 0.46 -1.02 -0.01 0.00 -1.82 0.00 0.00 70.33 67.94 1up8 n THR 287 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1up8 n PRO 288 N 6.16 2.60 -0.89 -2.82 -0.02 -1.26 -2.90 135.00 135.87 1up8 n PRO 288 Ca 0.36 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.76 1up8 n PRO 288 Cb 0.08 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 30.92 1up8 n PRO 288 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1up8 n GLY 289 N 0.96 1.03 3.53 -1.23 0.00 -1.26 -4.99 105.19 103.22 1up8 n GLY 289 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1up8 n GLY 289 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1up8 s ARG 290 N -0.09 3.43 0.46 1.61 3.52 -1.14 -5.03 118.95 121.70 1up8 s ARG 290 Ca 0.00 -0.34 0.07 0.00 -0.13 0.00 0.00 55.73 55.33 1up8 s ARG 290 Cb 0.00 -3.88 -0.01 0.00 -1.56 0.00 0.00 34.95 29.50 1up8 s ARG 290 CO 0.00 -0.78 0.34 -0.51 -0.81 0.00 0.00 175.30 173.54 1up8 s ASP 291 N 1.83 4.76 0.18 -2.12 1.01 -1.26 -4.91 116.67 116.16 1up8 s ASP 291 Ca 0.18 -0.99 0.03 0.00 0.71 0.00 0.00 52.55 52.48 1up8 s ASP 291 Cb -0.15 -0.23 -0.05 0.00 1.01 0.00 0.00 42.92 43.50 1up8 s ASP 291 CO 0.15 -0.77 -0.04 -0.36 0.21 0.00 0.00 175.17 174.36 1up8 s PHE 292 N -2.60 1.32 -1.28 4.23 0.40 0.43 -4.85 117.98 115.64 1up8 s PHE 292 Ca 0.42 -0.89 -0.07 0.00 -0.60 0.00 0.00 56.93 55.78 1up8 s PHE 292 Cb -0.01 -0.73 0.01 0.00 0.51 0.00 0.00 43.02 42.80 1up8 s PHE 292 CO 0.24 -0.05 1.11 -1.33 0.70 0.00 0.00 175.22 175.89 1up8 n MET 293 N -0.27 -7.47 0.00 0.44 2.81 -1.26 -1.75 117.12 109.62 1up8 n MET 293 Ca -0.08 0.80 0.11 0.00 -1.81 0.00 0.00 57.70 56.72 1up8 n MET 293 Cb 0.62 -5.74 0.03 0.00 -0.71 0.00 0.00 33.22 27.42 1up8 n MET 293 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1up8 n THR 294 N -4.77 0.00 -4.26 2.03 -2.24 -1.26 -4.75 114.28 99.02 1up8 n THR 294 Ca -0.03 -0.13 -0.34 0.00 -2.27 0.00 0.00 64.05 61.27 1up8 n THR 294 Cb 0.57 0.97 -0.11 0.00 -2.10 0.00 0.00 70.33 69.66 1up8 n THR 294 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1up8 s ASP 295 N -2.71 5.16 0.22 3.42 2.15 -1.26 -4.80 116.67 118.86 1up8 s ASP 295 Ca 0.15 -0.00 -0.07 0.00 0.43 0.00 0.00 52.55 53.06 1up8 s ASP 295 Cb 0.17 -1.78 0.32 0.00 -0.30 0.00 0.00 42.92 41.33 1up8 s ASP 295 CO 0.68 0.21 1.80 0.25 -0.17 0.00 0.00 175.17 177.94 1up8 h LEU 296 N 6.39 0.55 -0.59 -1.34 5.85 -1.95 -1.09 115.31 123.13 1up8 h LEU 296 Ca -0.37 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 1up8 h LEU 296 Cb 1.18 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1up8 h LEU 296 CO 0.64 0.33 0.23 0.11 -0.34 0.00 0.00 178.44 179.41 1up8 h LYS 297 N 0.69 0.88 -0.36 1.25 1.57 -1.96 -0.19 116.57 118.45 1up8 h LYS 297 Ca 0.34 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1up8 h LYS 297 Cb 0.30 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1up8 h LYS 297 CO -0.23 0.76 0.08 0.28 -0.57 0.00 0.00 179.45 179.77 1up8 h VAL 298 N 0.81 1.23 -0.03 0.50 2.07 -1.87 -1.38 116.25 117.58 1up8 h VAL 298 Ca 0.19 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.97 1up8 h VAL 298 Cb 0.21 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1up8 h VAL 298 CO -0.02 0.27 -0.19 0.15 0.02 0.00 0.00 177.57 177.80 1up8 h PHE 299 N 0.43 -0.51 -0.50 1.57 3.57 -1.02 -1.16 116.94 119.33 1up8 h PHE 299 Ca 0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1up8 h PHE 299 Cb 0.32 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1up8 h PHE 299 CO 0.02 -0.27 0.33 -0.07 -2.23 0.00 0.00 178.31 176.09 1up8 h LEU 300 N -0.30 0.58 -0.76 0.59 3.38 -0.96 -0.89 115.31 116.95 1up8 h LEU 300 Ca 0.07 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1up8 h LEU 300 Cb 0.39 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1up8 h LEU 300 CO -0.20 0.42 0.14 0.44 0.09 0.00 0.00 178.44 179.33 1up8 h ASP 301 N 0.68 1.03 -0.46 -0.43 3.32 -0.34 -1.54 116.42 118.69 1up8 h ASP 301 Ca 0.18 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1up8 h ASP 301 Cb -0.08 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.19 1up8 h ASP 301 CO -0.04 1.00 -0.01 0.58 -1.72 0.00 0.00 179.24 179.05 1up8 h VAL 302 N 1.02 1.26 0.00 -1.35 2.07 -0.29 -0.99 116.25 117.97 1up8 h VAL 302 Ca 0.21 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1up8 h VAL 302 Cb 0.39 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1up8 h VAL 302 CO 0.01 0.37 -0.03 1.56 0.02 0.00 0.00 177.57 179.49 1up8 h GLN 303 N 0.66 0.00 -0.69 1.57 1.08 -0.89 -1.15 115.11 115.69 1up8 h GLN 303 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1up8 h GLN 303 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 1up8 h GLN 303 CO 0.03 0.03 0.00 -0.25 -0.95 0.00 0.00 178.83 177.69 1up8 n ASP 304 N -3.89 4.02 0.00 1.46 8.00 -0.61 0.53 116.55 126.06 1up8 n ASP 304 Ca -0.03 -2.55 0.00 0.00 0.71 0.00 0.00 54.79 52.92 1up8 n ASP 304 Cb 0.12 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 1up8 n ASP 304 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1up8 n ALA 305 N 0.49 0.00 -1.68 2.24 0.00 -0.44 -4.01 120.51 117.11 1up8 n ALA 305 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 1up8 n ALA 305 Cb 0.83 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.25 1up8 n ALA 305 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1up8 n ALA 306 N 0.27 1.77 -2.81 0.00 0.00 -0.46 -1.77 120.51 117.52 1up8 n ALA 306 Ca 0.00 0.28 -0.43 0.00 0.00 0.00 0.00 53.44 53.29 1up8 n ALA 306 Cb 0.00 -2.60 -0.01 0.00 0.00 0.00 0.00 19.45 16.84 1up8 n ALA 306 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1up8 s ASP 307 N 3.39 6.83 -0.00 0.00 -1.08 -0.83 -4.65 116.67 120.33 1up8 s ASP 307 Ca 0.86 -2.43 0.06 0.00 -0.52 0.00 0.00 52.55 50.52 1up8 s ASP 307 Cb -0.51 -2.46 0.16 0.00 -1.46 0.00 0.00 42.92 38.65 1up8 s ASP 307 CO 0.41 -1.02 1.13 0.49 0.52 0.00 0.00 175.17 176.70 1up8 n PHE 308 N 6.91 0.25 -1.79 -5.34 3.01 -1.26 -4.86 117.46 114.38 1up8 n PHE 308 Ca 0.36 -0.12 -0.42 0.00 1.01 0.00 0.00 57.45 58.28 1up8 n PHE 308 Cb 0.46 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.91 1up8 n PHE 308 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1up8 s ARG 309 N -1.75 4.13 0.00 -1.08 0.52 -1.26 -2.69 118.95 116.82 1up8 s ARG 309 Ca 0.12 2.56 0.00 0.00 -0.52 0.00 0.00 55.73 57.89 1up8 s ARG 309 Cb 0.06 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.49 1up8 s ARG 309 CO 0.08 -0.63 0.00 0.41 0.02 0.00 0.00 175.30 175.18 1up8 n GLY 310 N 2.46 0.76 0.03 -3.53 0.00 -1.26 -4.99 105.19 98.66 1up8 n GLY 310 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1up8 n GLY 310 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1up8 n PHE 311 N -2.46 0.27 -1.90 1.61 7.35 -1.10 -4.94 117.46 116.29 1up8 n PHE 311 Ca 0.00 0.08 -0.37 0.00 -0.76 0.00 0.00 57.45 56.40 1up8 n PHE 311 Cb 0.00 -0.50 0.04 0.00 0.35 0.00 0.00 39.48 39.37 1up8 n PHE 311 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1up8 s GLU 312 N -3.06 3.03 0.11 -4.13 8.01 -1.26 -5.04 118.70 116.36 1up8 s GLU 312 Ca 0.10 2.01 0.03 0.00 0.01 0.00 0.00 54.97 57.12 1up8 s GLU 312 Cb 0.16 -2.08 -0.04 0.00 -4.31 0.00 0.00 34.13 27.86 1up8 s GLU 312 CO 0.66 -1.21 0.15 -1.54 0.01 0.00 0.00 175.26 173.33 1up8 s SER 313 N -1.30 5.78 0.15 -0.19 1.04 -1.26 -5.08 113.70 112.84 1up8 s SER 313 Ca 0.75 0.03 0.06 0.00 0.48 0.00 0.00 55.95 57.27 1up8 s SER 313 Cb -0.35 -1.61 -0.04 0.00 0.10 0.00 0.00 66.02 64.11 1up8 s SER 313 CO 0.40 0.12 -0.14 -0.31 0.98 0.00 0.00 173.24 174.29 1up8 s TYR 314 N -1.58 1.48 0.55 5.02 1.51 -1.26 -2.38 117.35 120.69 1up8 s TYR 314 Ca 0.32 -0.59 -0.05 0.00 -1.01 0.00 0.00 57.07 55.73 1up8 s TYR 314 Cb -0.11 -0.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.98 1up8 s TYR 314 CO 0.24 0.20 0.85 -1.21 -1.11 0.00 0.00 175.55 174.52 1up8 s GLU 315 N -3.11 3.15 0.44 -0.62 0.41 0.83 -4.80 118.70 114.99 1up8 s GLU 315 Ca 0.14 0.05 -0.25 0.00 -0.41 0.00 0.00 54.97 54.50 1up8 s GLU 315 Cb -0.03 -2.32 -0.08 0.00 -1.78 0.00 0.00 34.13 29.92 1up8 s GLU 315 CO 0.04 -0.51 1.33 -2.14 -0.49 0.00 0.00 175.26 173.50 1up8 s PRO 316 N -4.89 3.78 1.98 0.39 0.02 -1.26 -4.50 135.00 130.53 1up8 s PRO 316 Ca 0.51 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.75 1up8 s PRO 316 Cb -0.10 -2.65 0.00 0.00 0.02 0.00 0.00 34.50 31.77 1up8 s PRO 316 CO 0.45 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.86 1up8 n GLY 317 N 0.63 -0.02 3.53 0.52 0.00 -1.26 -4.93 105.19 103.66 1up8 n GLY 317 Ca 0.05 -1.35 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 1up8 n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1up8 s ALA 318 N -1.55 -1.84 0.05 4.61 0.00 -1.26 -4.42 121.76 117.35 1up8 s ALA 318 Ca 0.00 1.28 -0.07 0.00 0.00 0.00 0.00 51.96 53.17 1up8 s ALA 318 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1up8 s ALA 318 CO 0.00 -0.46 0.14 -0.98 0.00 0.00 0.00 175.76 174.46 1up8 s ARG 319 N -1.89 0.68 0.59 0.00 1.70 -0.62 -4.83 118.95 114.58 1up8 s ARG 319 Ca -0.02 -0.77 -0.19 0.00 -0.47 0.00 0.00 55.73 54.28 1up8 s ARG 319 Cb -0.01 0.27 -0.05 0.00 -0.57 0.00 0.00 34.95 34.59 1up8 s ARG 319 CO -0.01 -0.19 0.96 1.28 -1.08 0.00 0.00 175.30 176.27 1up8 n LEU 320 N 0.54 3.57 -4.63 -1.89 4.77 -1.26 -0.53 117.00 117.57 1up8 n LEU 320 Ca -0.18 0.82 -0.46 0.00 -0.03 0.00 0.00 56.01 56.16 1up8 n LEU 320 Cb 0.60 -1.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.26 1up8 n LEU 320 CO 0.23 -1.84 1.64 -0.38 -1.33 0.00 0.00 177.39 175.71 1up8 n ILE 321 N -1.62 0.51 -0.08 -0.08 5.41 -1.26 -4.84 119.36 117.39 1up8 n ILE 321 Ca 0.13 -0.21 -0.17 0.00 1.00 0.00 0.00 62.75 63.50 1up8 n ILE 321 Cb 0.47 -2.07 -0.06 0.00 -0.71 0.00 0.00 39.64 37.27 1up8 n ILE 321 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1up8 n ARG 322 N 7.51 0.39 -4.08 0.38 0.63 -1.26 -4.92 116.66 115.31 1up8 n ARG 322 Ca 0.27 0.17 -0.23 0.00 -0.92 0.00 0.00 57.85 57.14 1up8 n ARG 322 Cb 0.34 -1.17 -0.06 0.00 0.45 0.00 0.00 32.46 32.02 1up8 n ARG 322 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1up8 s THR 323 N -2.43 3.13 0.26 5.15 -4.23 -1.26 -2.14 115.64 114.12 1up8 s THR 323 Ca -0.25 -1.66 -0.03 0.00 -1.18 0.00 0.00 61.69 58.57 1up8 s THR 323 Cb 0.08 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 71.20 1up8 s THR 323 CO 0.32 -0.19 1.66 0.40 -0.54 0.00 0.00 174.62 176.27 1up8 h ILE 324 N 1.53 0.39 -0.72 2.99 2.04 -1.49 0.17 117.51 122.43 1up8 h ILE 324 Ca -0.44 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1up8 h ILE 324 Cb 1.25 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1up8 h ILE 324 CO 0.62 0.04 0.47 -0.09 0.00 0.00 0.00 178.15 179.19 1up8 h ARG 325 N 0.20 0.74 -0.69 2.37 2.43 -1.45 -2.00 114.38 115.98 1up8 h ARG 325 Ca 0.47 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.54 1up8 h ARG 325 Cb 0.86 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 1up8 h ARG 325 CO -0.61 0.49 0.23 -0.44 -1.51 0.00 0.00 179.97 178.12 1up8 h ASP 326 N 0.76 0.99 -0.76 -3.80 3.32 -1.24 -1.05 116.42 114.64 1up8 h ASP 326 Ca 0.31 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1up8 h ASP 326 Cb 0.24 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 1up8 h ASP 326 CO -0.10 0.91 0.44 0.25 -1.72 0.00 0.00 179.24 179.02 1up8 h LEU 327 N 1.02 0.93 -0.47 1.55 5.85 -1.25 -0.52 115.31 122.43 1up8 h LEU 327 Ca 0.23 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1up8 h LEU 327 Cb 0.27 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1up8 h LEU 327 CO -0.01 0.74 0.26 0.00 -0.34 0.00 0.00 178.44 179.09 1up8 h ALA 328 N 1.23 0.60 -0.70 1.25 0.00 -1.02 -2.29 119.26 118.34 1up8 h ALA 328 Ca 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1up8 h ALA 328 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1up8 h ALA 328 CO -0.05 -0.07 0.39 1.15 0.00 0.00 0.00 179.25 180.67 1up8 h THR 329 N 0.52 1.21 -0.57 0.00 2.02 -0.93 -2.15 112.91 113.00 1up8 h THR 329 Ca 0.20 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.88 1up8 h THR 329 Cb 0.07 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 1up8 h THR 329 CO -0.12 0.23 0.38 -0.25 0.37 0.00 0.00 175.52 176.13 1up8 h TRP 330 N 0.97 0.72 -0.08 3.16 7.01 -0.56 -2.76 115.95 124.41 1up8 h TRP 330 Ca 0.25 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.27 1up8 h TRP 330 Cb 0.01 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 26.83 1up8 h TRP 330 CO 0.01 0.45 0.00 1.33 -2.79 0.00 0.00 178.44 177.44 1up8 n VAL 331 N -4.69 0.09 0.05 2.65 0.24 -0.94 -3.18 118.33 112.55 1up8 n VAL 331 Ca 0.04 -0.25 -0.14 0.00 -2.04 0.00 0.00 64.34 61.94 1up8 n VAL 331 Cb 0.02 0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 32.66 1up8 n VAL 331 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1up8 h HIS 332 N 1.94 0.72 0.00 6.34 6.17 -1.09 -3.40 115.15 125.84 1up8 h HIS 332 Ca 0.00 -0.36 0.00 0.00 0.71 0.00 0.00 60.37 60.72 1up8 h HIS 332 Cb 0.42 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.25 1up8 h HIS 332 CO 0.04 1.17 0.00 1.19 0.71 0.00 0.00 177.93 181.04 1up8 n PHE 333 N -3.81 0.00 -1.70 5.26 3.01 -1.24 -5.08 117.46 113.90 1up8 n PHE 333 Ca -0.07 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.96 1up8 n PHE 333 Cb 0.79 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.25 1up8 n PHE 333 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1up8 n ASP 334 N -0.00 2.90 -4.52 4.37 5.75 -1.19 -4.88 116.55 118.97 1up8 n ASP 334 Ca 0.00 1.19 -0.43 0.00 -0.01 0.00 0.00 54.79 55.53 1up8 n ASP 334 Cb 0.04 -1.48 -0.01 0.00 -1.03 0.00 0.00 41.12 38.64 1up8 n ASP 334 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1up8 s ALA 335 N -0.73 3.51 0.00 2.12 0.00 -1.26 -4.94 121.76 120.46 1up8 s ALA 335 Ca 0.59 -3.00 0.00 0.00 0.00 0.00 0.00 51.96 49.55 1up8 s ALA 335 Cb -0.58 -4.39 0.00 0.00 0.00 0.00 0.00 23.12 18.15 1up8 s ALA 335 CO 0.58 -3.11 0.00 -0.11 0.00 0.00 0.00 175.76 173.12 1up8 n LEU 336 N 7.25 0.00 -0.96 0.00 7.94 -1.26 -2.24 117.00 127.74 1up8 n LEU 336 Ca 0.40 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 55.35 1up8 n LEU 336 Cb 0.46 0.00 0.19 0.00 0.53 0.00 0.00 43.42 44.60 1up8 n LEU 336 CO 0.68 0.00 0.61 0.00 -1.11 0.00 0.00 177.39 177.57 1up8 n TYR 337 N 0.00 0.79 -0.01 1.96 0.18 -1.26 -4.66 117.16 114.16 1up8 n TYR 337 Ca 0.00 -0.31 -0.09 0.00 1.88 0.00 0.00 57.90 59.38 1up8 n TYR 337 Cb 0.00 -0.15 -0.03 0.00 -0.38 0.00 0.00 39.34 38.78 1up8 n TYR 337 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1up8 h GLU 338 N 2.16 -0.23 -0.99 -3.48 4.81 -1.82 -0.54 114.58 114.49 1up8 h GLU 338 Ca 0.00 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1up8 h GLU 338 Cb 0.88 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.26 1up8 h GLU 338 CO 0.13 -0.15 0.65 0.00 -0.73 0.00 0.00 179.01 178.90 1up8 h ALA 339 N 0.79 1.35 0.14 2.92 0.00 -1.89 -1.58 119.26 120.98 1up8 h ALA 339 Ca 0.11 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.69 1up8 h ALA 339 Cb 0.40 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1up8 h ALA 339 CO -0.30 0.56 -1.27 1.88 0.00 0.00 0.00 179.25 180.13 1up8 h TYR 340 N 1.27 0.53 -0.84 0.00 -1.99 -1.75 -2.11 116.97 112.07 1up8 h TYR 340 Ca 0.39 -0.39 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1up8 h TYR 340 Cb -0.02 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 38.65 1up8 h TYR 340 CO -0.00 1.30 0.51 1.25 -0.00 0.00 0.00 178.16 181.22 1up8 h LEU 341 N 0.08 1.02 -0.70 3.88 5.85 -0.97 0.42 115.31 124.89 1up8 h LEU 341 Ca -0.15 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.39 1up8 h LEU 341 Cb 1.99 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.75 1up8 h LEU 341 CO 0.21 0.78 -0.29 0.78 -0.34 0.00 0.00 178.44 179.58 1up8 h ASN 342 N 1.16 0.71 -0.25 1.25 -0.26 -1.21 -0.93 115.58 116.04 1up8 h ASN 342 Ca 0.30 -0.27 -0.03 0.00 -0.56 0.00 0.00 56.30 55.74 1up8 h ASN 342 Cb -0.05 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 1up8 h ASN 342 CO -0.06 0.96 0.05 0.00 -1.06 0.00 0.00 177.43 177.33 1up8 h ALA 343 N 1.09 0.34 -0.74 -0.83 0.00 -1.23 -2.03 119.26 115.85 1up8 h ALA 343 Ca 0.07 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.95 1up8 h ALA 343 Cb 0.79 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 1up8 h ALA 343 CO 0.06 0.00 0.29 0.00 0.00 0.00 0.00 179.25 179.61 1up8 h LEU 345 N 0.44 0.79 -0.08 0.00 3.38 -0.97 -1.16 115.31 117.71 1up8 h LEU 345 Ca 0.41 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1up8 h LEU 345 Cb 0.61 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1up8 h LEU 345 CO -0.40 0.97 0.03 0.40 0.09 0.00 0.00 178.44 179.53 1up8 h ILE 346 N 0.69 1.16 -0.87 1.22 2.04 -0.74 -1.97 117.51 119.03 1up8 h ILE 346 Ca 0.10 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.55 1up8 h ILE 346 Cb 0.70 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 1up8 h ILE 346 CO 0.05 0.13 0.57 -0.07 0.00 0.00 0.00 178.15 178.83 1up8 h LEU 347 N -0.05 0.88 -0.23 1.44 3.38 -0.89 -1.54 115.31 118.31 1up8 h LEU 347 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1up8 h LEU 347 Cb 0.19 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1up8 h LEU 347 CO -0.00 0.58 -0.29 -0.07 0.09 0.00 0.00 178.44 178.75 1up8 h LEU 348 N 1.01 0.65 -0.60 1.67 3.38 -1.14 -1.80 115.31 118.48 1up8 h LEU 348 Ca 0.36 -0.50 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 1up8 h LEU 348 Cb 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1up8 h LEU 348 CO -0.13 1.02 -0.37 0.00 0.09 0.00 0.00 178.44 179.06 1up8 h ALA 349 N 0.65 0.78 0.00 1.53 0.00 -1.08 -2.43 119.26 118.71 1up8 h ALA 349 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1up8 h ALA 349 Cb 0.86 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1up8 h ALA 349 CO 0.07 0.65 0.00 0.09 0.00 0.00 0.00 179.25 180.06 1up8 n ASN 350 N -4.05 0.00 -2.61 0.00 4.13 -0.60 -4.68 115.26 107.44 1up8 n ASN 350 Ca -0.01 -1.12 -0.21 0.00 1.68 0.00 0.00 54.58 54.92 1up8 n ASN 350 Cb 0.51 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.76 1up8 n ASN 350 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1up8 n GLY 351 N 0.71 -0.47 3.71 7.41 0.00 -0.91 -4.97 105.19 110.67 1up8 n GLY 351 Ca 0.17 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1up8 n GLY 351 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1up8 s VAL 352 N -3.09 2.36 0.40 1.61 1.01 -0.69 -4.95 120.40 117.06 1up8 s VAL 352 Ca 0.15 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 62.06 1up8 s VAL 352 Cb -0.07 -3.13 -0.10 0.00 0.00 0.00 0.00 36.38 33.09 1up8 s VAL 352 CO 0.19 0.01 1.45 -2.84 0.00 0.00 0.00 175.10 173.91 1up8 s PRO 353 N 1.47 3.98 0.83 2.72 0.02 -1.26 -4.84 135.00 137.92 1up8 s PRO 353 Ca 0.74 2.48 -0.12 0.00 0.02 0.00 0.00 61.00 64.11 1up8 s PRO 353 Cb -0.47 -2.86 0.09 0.00 0.02 0.00 0.00 34.50 31.28 1up8 s PRO 353 CO 0.32 -0.60 1.18 -0.06 -0.33 0.00 0.00 177.00 177.52 1up8 s PHE 354 N -1.16 1.82 -0.35 6.54 2.99 -1.26 -1.30 117.98 125.26 1up8 s PHE 354 Ca 0.55 1.69 -0.44 0.00 0.00 0.00 0.00 56.93 58.74 1up8 s PHE 354 Cb -0.45 -3.42 -0.19 0.00 0.00 0.00 0.00 43.02 38.96 1up8 s PHE 354 CO 0.60 -2.76 1.56 -3.47 -0.00 0.00 0.00 175.22 171.15 1up8 n ASP 355 N -3.50 1.42 0.00 1.36 -0.08 0.71 -3.82 116.55 112.64 1up8 n ASP 355 Ca 0.13 1.15 0.10 0.00 -1.51 0.00 0.00 54.79 54.66 1up8 n ASP 355 Cb 0.51 -0.98 0.46 0.00 2.34 0.00 0.00 41.12 43.46 1up8 n ASP 355 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1up8 n PRO 356 N 4.01 0.05 -0.02 -0.67 -0.04 -1.26 -2.06 135.00 135.01 1up8 n PRO 356 Ca 0.28 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 1up8 n PRO 356 Cb 0.02 -1.50 0.63 0.00 -0.04 0.00 0.00 33.50 32.62 1up8 n PRO 356 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1up8 n ASN 357 N -1.47 0.58 -4.89 3.54 3.02 -1.26 -4.86 115.26 109.92 1up8 n ASN 357 Ca 0.06 -1.36 -0.29 0.00 -0.03 0.00 0.00 54.58 52.95 1up8 n ASN 357 Cb 0.23 -0.02 0.05 0.00 -0.61 0.00 0.00 39.78 39.44 1up8 n ASN 357 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1up8 s LEU 358 N -1.78 2.88 0.65 3.41 1.43 -0.88 -2.86 118.68 121.54 1up8 s LEU 358 Ca 0.37 0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 1up8 s LEU 358 Cb 0.18 -3.74 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 1up8 s LEU 358 CO 0.29 -1.40 1.04 -2.16 0.23 0.00 0.00 176.35 174.35 1up8 s PRO 359 N -5.34 3.33 -1.68 1.29 0.05 -1.26 -4.40 135.00 126.99 1up8 s PRO 359 Ca 0.58 0.84 0.00 0.00 0.05 0.00 0.00 61.00 62.47 1up8 s PRO 359 Cb -0.11 -2.04 0.00 0.00 0.05 0.00 0.00 34.50 32.40 1up8 s PRO 359 CO 0.50 -0.78 0.00 1.19 0.05 0.00 0.00 177.00 177.96 1up8 n PHE 360 N -2.90 -0.24 1.00 0.56 0.99 -1.26 -4.91 117.46 110.70 1up8 n PHE 360 Ca 0.07 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.64 1up8 n PHE 360 Cb 0.54 -3.05 0.40 0.00 -1.00 0.00 0.00 39.48 36.37 1up8 n PHE 360 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1up8 n GLN 361 N -2.54 0.00 -1.77 -1.08 1.13 -1.26 -4.69 117.38 107.17 1up8 n GLN 361 Ca -0.18 -0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.58 1up8 n GLN 361 Cb 0.58 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.50 1up8 n GLN 361 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1up8 s GLN 362 N -3.00 2.39 0.31 -1.09 -0.21 -1.26 -4.99 119.66 111.81 1up8 s GLN 362 Ca 0.12 0.45 -0.29 0.00 0.02 0.00 0.00 55.36 55.66 1up8 s GLN 362 Cb 0.18 -1.97 -0.13 0.00 1.00 0.00 0.00 33.01 32.09 1up8 s GLN 362 CO 0.63 -1.36 1.27 0.39 -2.12 0.00 0.00 175.29 174.11 1up8 n GLU 363 N -3.22 1.99 0.28 2.91 1.02 -1.26 -4.74 120.64 117.61 1up8 n GLU 363 Ca 0.07 0.70 0.13 0.00 -0.02 0.00 0.00 57.16 58.04 1up8 n GLU 363 Cb 0.58 -2.27 0.80 0.00 -0.02 0.00 0.00 31.44 30.53 1up8 n GLU 363 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1up8 h ASP 364 N 2.85 0.00 -0.36 1.62 3.32 -1.94 -0.59 116.42 121.32 1up8 h ASP 364 Ca -0.45 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.69 1up8 h ASP 364 Cb 1.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 1up8 h ASP 364 CO 0.65 0.07 0.25 0.07 -1.72 0.00 0.00 179.24 178.56 1up8 h LYS 365 N 0.00 0.09 0.00 3.56 2.10 -1.98 0.20 116.57 120.54 1up8 h LYS 365 Ca -0.00 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.55 1up8 h LYS 365 Cb 0.18 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 1up8 h LYS 365 CO 0.01 0.06 -0.50 -0.07 -2.00 0.00 0.00 179.45 176.95 1up8 h LEU 366 N 0.09 0.00 -0.49 7.07 3.38 -1.46 -3.42 115.31 120.49 1up8 h LEU 366 Ca 0.17 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1up8 h LEU 366 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1up8 h LEU 366 CO -0.02 1.19 -0.58 -0.90 0.09 0.00 0.00 178.44 178.22 1up8 n ASP 367 N -4.54 1.31 -2.24 -0.43 5.68 -1.10 -5.00 116.55 110.23 1up8 n ASP 367 Ca -0.19 -1.15 -0.15 0.00 -0.50 0.00 0.00 54.79 52.79 1up8 n ASP 367 Cb 0.56 0.72 -0.02 0.00 -1.14 0.00 0.00 41.12 41.24 1up8 n ASP 367 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1up8 n ASN 368 N -0.71 -4.54 -3.68 -1.12 3.02 0.68 -4.95 115.26 103.96 1up8 n ASN 368 Ca 0.05 0.17 -0.09 0.00 -0.03 0.00 0.00 54.58 54.68 1up8 n ASN 368 Cb 0.33 -3.88 -0.10 0.00 -0.61 0.00 0.00 39.78 35.52 1up8 n ASN 368 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1up8 s GLN 369 N -4.71 0.38 0.41 3.52 2.00 -1.26 -5.09 119.66 114.89 1up8 s GLN 369 Ca 0.00 0.92 0.08 0.00 -2.00 0.00 0.00 55.36 54.36 1up8 s GLN 369 Cb 0.00 0.15 0.01 0.00 0.80 0.00 0.00 33.01 33.96 1up8 s GLN 369 CO 0.00 -0.20 0.54 0.34 -0.50 0.00 0.00 175.29 175.47 1up8 s ASP 370 N 1.97 5.67 0.02 6.67 -1.08 -1.26 -4.77 116.67 123.88 1up8 s ASP 370 Ca -0.06 -0.40 0.06 0.00 -0.52 0.00 0.00 52.55 51.63 1up8 s ASP 370 Cb -0.10 -0.74 -0.02 0.00 -1.46 0.00 0.00 42.92 40.60 1up8 s ASP 370 CO -0.13 -0.70 -0.18 0.68 0.52 0.00 0.00 175.17 175.36 1up8 s VAL 371 N -2.33 1.45 0.00 1.11 -7.23 -1.26 -5.03 120.40 107.10 1up8 s VAL 371 Ca 0.53 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 1up8 s VAL 371 Cb -0.10 -1.25 0.00 0.00 0.56 0.00 0.00 36.38 35.60 1up8 s VAL 371 CO 0.32 0.23 0.00 0.33 -0.31 0.00 0.00 175.10 175.68 1up8 n PHE 372 N 2.16 0.00 -0.06 2.82 7.35 -1.26 -4.51 117.46 123.96 1up8 n PHE 372 Ca -0.16 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.45 1up8 n PHE 372 Cb 0.54 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.35 1up8 n PHE 372 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1up8 h VAL 373 N 0.00 0.40 -3.36 -2.13 2.07 -1.94 -2.73 116.25 108.55 1up8 h VAL 373 Ca 0.00 0.00 -0.65 0.00 0.82 0.00 0.00 66.70 66.87 1up8 h VAL 373 Cb 0.00 0.40 -0.22 0.00 -1.52 0.00 0.00 31.29 29.95 1up8 h VAL 373 CO 0.00 0.00 -0.69 0.20 0.02 0.00 0.00 177.57 177.10 1up8 s ASN 374 N -5.05 4.65 -0.66 0.57 0.01 -1.26 -3.66 114.94 109.53 1up8 s ASN 374 Ca -0.15 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 51.86 1up8 s ASN 374 Cb 0.12 -1.65 0.00 0.00 0.41 0.00 0.00 41.25 40.14 1up8 s ASN 374 CO 0.68 0.20 0.00 0.49 -1.51 0.00 0.00 177.10 176.97 1up8 n PHE 375 N 3.28 0.00 -3.08 2.20 0.99 -1.26 -4.81 117.46 114.79 1up8 n PHE 375 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.27 1up8 n PHE 375 Cb 0.53 -1.70 0.00 0.00 -1.00 0.00 0.00 39.48 37.31 1up8 n PHE 375 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1up8 n GLY 376 N -1.14 6.19 0.28 1.37 0.00 -1.16 -4.73 105.19 106.00 1up8 n GLY 376 Ca -0.06 -1.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.19 1up8 n GLY 376 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1up8 h SER 377 N 0.00 0.87 -0.37 1.61 4.64 -1.78 -2.40 113.55 116.12 1up8 h SER 377 Ca 0.00 -0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.10 1up8 h SER 377 Cb 0.00 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1up8 h SER 377 CO 0.00 0.77 -0.04 0.00 -0.87 0.00 0.00 176.83 176.69 1up8 h ALA 378 N 1.14 1.08 0.24 5.18 0.00 -1.82 -1.77 119.26 123.31 1up8 h ALA 378 Ca 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1up8 h ALA 378 Cb 0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1up8 h ALA 378 CO -0.03 0.58 -0.15 1.25 0.00 0.00 0.00 179.25 180.90 1up8 h HIS 379 N 0.71 -0.39 -0.19 0.00 6.17 -1.17 -2.07 115.15 118.22 1up8 h HIS 379 Ca 0.13 -0.00 -0.10 0.00 0.71 0.00 0.00 60.37 61.11 1up8 h HIS 379 Cb 0.50 0.14 -0.01 0.00 2.52 0.00 0.00 27.41 30.55 1up8 h HIS 379 CO 0.03 -0.24 -0.30 -0.24 0.71 0.00 0.00 177.93 177.89 1up8 h VAL 380 N -0.38 1.27 -0.23 5.26 3.04 -1.35 -1.21 116.25 122.65 1up8 h VAL 380 Ca -0.02 -1.32 -0.09 0.00 -1.01 0.00 0.00 66.70 64.26 1up8 h VAL 380 Cb 0.32 1.46 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 1up8 h VAL 380 CO 0.02 0.41 -0.24 -0.07 -1.01 0.00 0.00 177.57 176.68 1up8 h LEU 381 N 0.33 0.43 0.23 3.16 3.38 -1.22 -1.25 115.31 120.37 1up8 h LEU 381 Ca 0.04 -0.14 -0.32 0.00 0.09 0.00 0.00 57.88 57.55 1up8 h LEU 381 Cb 0.70 -0.12 0.03 0.00 0.09 0.00 0.00 40.66 41.37 1up8 h LEU 381 CO 0.05 0.68 -1.44 -1.28 0.09 0.00 0.00 178.44 176.54 1up8 h SER 382 N 0.38 0.76 -0.76 -0.43 0.87 -1.24 -3.33 113.55 109.80 1up8 h SER 382 Ca 0.06 -0.93 -0.01 0.00 -1.23 0.00 0.00 61.79 59.69 1up8 h SER 382 Cb 0.64 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.31 1up8 h SER 382 CO 0.05 1.69 0.45 0.25 -0.53 0.00 0.00 176.83 178.73 1up8 h LEU 383 N 0.07 0.92 -0.87 2.23 5.85 -1.01 -1.30 115.31 121.20 1up8 h LEU 383 Ca -0.26 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.29 1up8 h LEU 383 Cb 2.09 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.87 1up8 h LEU 383 CO 0.24 0.72 -0.26 1.62 -0.34 0.00 0.00 178.44 180.43 1up8 h VAL 384 N 1.04 1.27 0.15 1.05 3.04 -1.38 -3.02 116.25 118.39 1up8 h VAL 384 Ca 0.27 -1.31 -0.30 0.00 -1.01 0.00 0.00 66.70 64.36 1up8 h VAL 384 Cb -0.02 1.34 0.03 0.00 -2.01 0.00 0.00 31.29 30.63 1up8 h VAL 384 CO -0.05 0.42 -1.28 0.71 -1.01 0.00 0.00 177.57 176.36 1up8 h THR 385 N 0.47 1.32 0.00 3.17 1.35 -1.64 -3.38 112.91 114.20 1up8 h THR 385 Ca 0.07 -2.59 -0.00 0.00 -0.55 0.00 0.00 66.41 63.33 1up8 h THR 385 Cb 0.70 2.79 -0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1up8 h THR 385 CO 0.05 0.78 -0.00 1.05 -0.25 0.00 0.00 175.52 177.15 1up8 h GLU 386 N 0.22 0.00 0.00 4.72 4.11 -1.11 -2.94 114.58 119.58 1up8 h GLU 386 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 1up8 h GLU 386 Cb 1.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.21 1up8 h GLU 386 CO 0.24 0.00 0.00 -0.39 0.07 0.00 0.00 179.01 178.93 1up8 h VAL 387 N 0.00 0.00 -0.08 -1.06 -1.51 -1.72 -3.36 116.25 108.52 1up8 h VAL 387 Ca -0.00 -0.40 -0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1up8 h VAL 387 Cb 0.54 1.27 -0.00 0.00 -2.13 0.00 0.00 31.29 30.96 1up8 h VAL 387 CO 0.00 0.00 0.03 0.00 -1.23 0.00 0.00 177.57 176.37 1up8 h ALA 388 N 2.23 0.11 -0.01 5.19 0.00 -1.75 -1.57 119.26 123.46 1up8 h ALA 388 Ca 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1up8 h ALA 388 Cb 0.52 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1up8 h ALA 388 CO 0.00 -0.31 -0.66 1.79 0.00 0.00 0.00 179.25 180.07 1up8 h THR 389 N -0.02 1.46 -0.52 0.00 1.35 -1.82 -0.83 112.91 112.53 1up8 h THR 389 Ca 0.03 -2.23 -0.08 0.00 -0.55 0.00 0.00 66.41 63.58 1up8 h THR 389 Cb 0.16 2.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.76 1up8 h THR 389 CO -0.00 0.64 0.02 0.03 -0.25 0.00 0.00 175.52 175.95 1up8 h ARG 390 N 0.03 0.87 -0.27 4.72 -0.00 -1.71 -1.88 114.38 116.13 1up8 h ARG 390 Ca -0.01 -0.24 -0.16 0.00 -0.50 0.00 0.00 59.98 59.08 1up8 h ARG 390 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 31.03 1up8 h ARG 390 CO 0.09 0.86 -0.47 0.00 0.00 0.00 0.00 179.97 180.45 1up8 h ALA 391 N 1.20 0.67 -0.58 0.04 0.00 -0.94 -3.15 119.26 116.49 1up8 h ALA 391 Ca 0.16 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1up8 h ALA 391 Cb 0.46 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1up8 h ALA 391 CO 0.02 0.67 0.19 -0.07 0.00 0.00 0.00 179.25 180.07 1up8 h LEU 392 N 0.57 0.80 -0.50 0.00 3.38 -1.06 -2.20 115.31 116.30 1up8 h LEU 392 Ca 0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1up8 h LEU 392 Cb 1.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1up8 h LEU 392 CO 0.10 0.75 0.30 0.11 0.09 0.00 0.00 178.44 179.79 1up8 h LYS 393 N 0.85 0.67 -0.38 1.13 1.57 -1.31 -1.74 116.57 117.36 1up8 h LYS 393 Ca 0.19 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1up8 h LYS 393 Cb 0.23 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1up8 h LYS 393 CO -0.01 0.49 0.16 0.00 -0.57 0.00 0.00 179.45 179.53 1up8 h ALA 394 N 1.14 0.50 0.00 3.86 0.00 -1.46 -2.57 119.26 120.73 1up8 h ALA 394 Ca 0.18 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1up8 h ALA 394 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1up8 h ALA 394 CO -0.03 0.08 -0.43 -0.24 0.00 0.00 0.00 179.25 178.64 1up8 h VAL 395 N 0.47 1.18 -0.67 0.00 3.04 -1.35 -2.63 116.25 116.30 1up8 h VAL 395 Ca 0.13 -1.52 -0.06 0.00 -1.01 0.00 0.00 66.70 64.24 1up8 h VAL 395 Cb 0.17 1.85 -0.03 0.00 -2.01 0.00 0.00 31.29 31.27 1up8 h VAL 395 CO -0.01 0.42 0.19 0.03 -1.01 0.00 0.00 177.57 177.18 1up8 h ARG 396 N 0.00 1.05 -0.42 4.17 2.47 -1.14 0.17 114.38 120.68 1up8 h ARG 396 Ca -0.00 -0.24 0.05 0.00 -1.26 0.00 0.00 59.98 58.52 1up8 h ARG 396 Cb 0.81 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 28.94 1up8 h ARG 396 CO 0.06 0.93 0.17 -0.92 0.56 0.00 0.00 179.97 180.76 1up8 h TYR 397 N 0.98 0.30 -0.49 3.04 3.20 -1.12 -1.06 116.97 121.83 1up8 h TYR 397 Ca 0.21 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 1up8 h TYR 397 Cb 0.33 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1up8 h TYR 397 CO 0.02 0.13 0.09 1.96 -1.64 0.00 0.00 178.16 178.72 1up8 h GLN 398 N 0.35 0.80 0.66 1.82 1.08 -1.22 -1.15 115.11 117.46 1up8 h GLN 398 Ca 0.19 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1up8 h GLN 398 Cb 0.16 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1up8 h GLN 398 CO -0.18 0.80 -0.47 0.87 -0.95 0.00 0.00 178.83 178.91 1up8 h LYS 399 N 0.68 -1.04 0.02 1.46 1.57 -0.39 -0.97 116.57 117.90 1up8 h LYS 399 Ca 0.15 0.07 -0.39 0.00 -1.87 0.00 0.00 60.65 58.61 1up8 h LYS 399 Cb 0.38 0.24 -0.06 0.00 0.08 0.00 0.00 32.23 32.87 1up8 h LYS 399 CO 0.01 -0.69 -2.23 1.19 -0.57 0.00 0.00 179.45 177.16 1up8 n PHE 400 N -5.58 0.35 0.06 -1.35 3.01 -0.42 -1.60 117.46 111.92 1up8 n PHE 400 Ca -0.13 0.12 -0.07 0.00 1.01 0.00 0.00 57.45 58.37 1up8 n PHE 400 Cb 0.47 -1.04 -0.12 0.00 -0.01 0.00 0.00 39.48 38.78 1up8 n PHE 400 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1up8 h ASN 401 N -0.60 0.00 0.00 4.37 4.21 -1.37 -3.42 115.58 118.77 1up8 h ASN 401 Ca -0.57 0.00 0.00 0.00 1.21 0.00 0.00 56.30 56.94 1up8 h ASN 401 Cb 1.69 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.89 1up8 h ASN 401 CO -0.23 0.98 0.00 -0.38 -1.29 0.00 0.00 177.43 176.51 1up8 n ILE 402 N -3.33 0.00 -0.01 2.81 2.08 -0.63 -4.95 119.36 115.32 1up8 n ILE 402 Ca -0.01 0.41 -0.13 0.00 0.56 0.00 0.00 62.75 63.58 1up8 n ILE 402 Cb 0.94 -1.40 -0.14 0.00 -0.75 0.00 0.00 39.64 38.29 1up8 n ILE 402 CO 0.00 0.00 0.00 0.45 0.56 0.00 0.00 176.55 177.56 1up8 h HIS 403 N 0.00 0.17 -6.72 1.39 3.86 -1.34 -3.46 115.15 109.05 1up8 h HIS 403 Ca 0.00 -0.13 -0.44 0.00 -1.16 0.00 0.00 60.37 58.64 1up8 h HIS 403 Cb 0.00 -0.01 -0.10 0.00 1.06 0.00 0.00 27.41 28.36 1up8 h HIS 403 CO 0.00 1.27 -0.71 0.54 0.86 0.00 0.00 177.93 179.89 1up8 n ARG 404 N -3.21 -0.76 -2.65 2.45 1.74 -0.63 -4.90 116.66 108.70 1up8 n ARG 404 Ca -0.21 -0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.46 1up8 n ARG 404 Cb 1.05 -2.16 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 1up8 n ARG 404 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1up8 s ARG 405 N -6.39 4.69 0.52 5.56 3.52 -1.26 -0.90 118.95 124.69 1up8 s ARG 405 Ca 0.13 1.57 -0.23 0.00 -0.13 0.00 0.00 55.73 57.07 1up8 s ARG 405 Cb -0.07 -3.31 -0.06 0.00 -1.56 0.00 0.00 34.95 29.95 1up8 s ARG 405 CO 0.71 0.23 1.38 -0.48 -0.81 0.00 0.00 175.30 176.33 1up8 s LEU 406 N -0.44 3.92 0.60 -0.88 2.34 -1.04 -1.86 118.68 121.32 1up8 s LEU 406 Ca 0.46 2.81 -0.16 0.00 0.06 0.00 0.00 54.13 57.31 1up8 s LEU 406 Cb -0.26 -4.18 -0.03 0.00 -0.56 0.00 0.00 46.19 41.15 1up8 s LEU 406 CO 0.33 -1.48 1.08 -0.13 -1.06 0.00 0.00 176.35 175.09 1up8 s ARG 407 N -2.79 3.20 0.46 1.48 1.81 -1.26 -4.60 118.95 117.26 1up8 s ARG 407 Ca 0.69 1.30 0.25 0.00 -1.72 0.00 0.00 55.73 56.25 1up8 s ARG 407 Cb -0.41 -2.01 1.27 0.00 -0.45 0.00 0.00 34.95 33.34 1up8 s ARG 407 CO 0.50 -0.92 1.82 -1.35 -0.68 0.00 0.00 175.30 174.68 1up8 h PRO 408 N 0.46 0.23 -0.81 3.54 0.11 -1.80 -0.89 132.00 132.85 1up8 h PRO 408 Ca -0.47 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1up8 h PRO 408 Cb 1.23 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1up8 h PRO 408 CO 0.56 0.15 0.45 1.05 -0.21 0.00 0.00 178.00 180.00 1up8 h GLU 409 N 0.24 1.13 -0.36 1.05 4.11 -1.93 -1.12 114.58 117.70 1up8 h GLU 409 Ca 0.53 -0.13 -0.09 0.00 0.07 0.00 0.00 59.36 59.74 1up8 h GLU 409 Cb 1.62 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1up8 h GLU 409 CO -0.16 0.82 -0.14 0.00 0.07 0.00 0.00 179.01 179.61 1up8 h ALA 410 N 1.36 0.50 -0.90 1.06 0.00 -1.53 0.08 119.26 119.83 1up8 h ALA 410 Ca 0.29 -0.33 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1up8 h ALA 410 Cb 0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 1up8 h ALA 410 CO -0.05 0.40 0.54 1.15 0.00 0.00 0.00 179.25 181.29 1up8 h THR 411 N 0.52 0.92 -0.30 0.00 2.02 -1.28 -1.94 112.91 112.85 1up8 h THR 411 Ca 0.08 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1up8 h THR 411 Cb 0.67 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1up8 h THR 411 CO 0.05 0.16 0.10 1.23 0.37 0.00 0.00 175.52 177.42 1up8 h GLY 412 N 0.88 0.49 -0.20 2.16 0.00 -0.67 -1.57 103.07 104.15 1up8 h GLY 412 Ca 0.44 -0.29 0.18 0.00 0.00 0.00 0.00 47.33 47.66 1up8 h GLY 412 CO -0.25 0.27 0.20 -1.33 0.00 0.00 0.00 176.54 175.42 1up8 h GLY 413 N 0.32 1.14 1.12 4.60 0.00 -0.50 -0.53 103.07 109.22 1up8 h GLY 413 Ca 0.10 -0.04 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 1up8 h GLY 413 CO -0.00 -0.25 -0.31 1.41 0.00 0.00 0.00 176.54 177.38 1up8 h LEU 414 N 0.26 1.02 -0.33 3.11 3.38 -0.74 -1.57 115.31 120.42 1up8 h LEU 414 Ca 0.46 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1up8 h LEU 414 Cb 0.84 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1up8 h LEU 414 CO -0.56 1.23 0.16 0.40 0.09 0.00 0.00 178.44 179.77 1up8 h ILE 415 N 0.81 1.16 0.33 1.22 2.04 -0.82 -1.59 117.51 120.65 1up8 h ILE 415 Ca 0.08 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1up8 h ILE 415 Cb 0.90 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1up8 h ILE 415 CO 0.08 0.16 -0.16 -1.28 0.00 0.00 0.00 178.15 176.96 1up8 h SER 416 N 0.41 -0.37 -0.85 1.72 0.87 -0.91 -0.66 113.55 113.76 1up8 h SER 416 Ca 0.12 -0.04 0.12 0.00 -1.23 0.00 0.00 61.79 60.75 1up8 h SER 416 Cb 0.11 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.10 1up8 h SER 416 CO -0.02 -0.20 0.55 0.58 -0.53 0.00 0.00 176.83 177.22 1up8 h VAL 417 N -0.53 0.91 -0.06 2.23 2.07 -1.30 -1.72 116.25 117.85 1up8 h VAL 417 Ca -0.05 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1up8 h VAL 417 Cb 0.39 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1up8 h VAL 417 CO 0.07 0.14 -0.12 -1.13 0.02 0.00 0.00 177.57 176.55 1up8 h ASN 418 N 0.74 0.21 0.05 0.57 -0.73 -1.03 -2.50 115.58 112.89 1up8 h ASN 418 Ca 0.41 -0.56 -0.00 0.00 1.87 0.00 0.00 56.30 58.01 1up8 h ASN 418 Cb 0.55 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.08 1up8 h ASN 418 CO -0.17 0.73 -0.02 0.50 -0.37 0.00 0.00 177.43 178.10 1up8 h LYS 419 N -0.31 -0.06 -0.75 6.67 3.64 -0.94 -0.22 116.57 124.60 1up8 h LYS 419 Ca 0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1up8 h LYS 419 Cb 0.70 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.46 1up8 h LYS 419 CO 0.03 -0.01 0.39 0.82 -2.27 0.00 0.00 179.45 178.41 1up8 h ILE 420 N -0.10 0.87 -0.36 2.00 2.04 -1.40 -2.45 117.51 118.11 1up8 h ILE 420 Ca -0.01 -0.23 -0.14 0.00 1.00 0.00 0.00 64.86 65.48 1up8 h ILE 420 Cb 0.08 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1up8 h ILE 420 CO 0.01 0.12 -0.35 0.00 0.00 0.00 0.00 178.15 177.93 1up8 h ALA 421 N 1.43 0.70 -0.08 1.87 0.00 -1.29 -3.04 119.26 118.86 1up8 h ALA 421 Ca 0.36 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1up8 h ALA 421 Cb 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1up8 h ALA 421 CO -0.26 0.66 -0.17 0.00 0.00 0.00 0.00 179.25 179.49 1up8 h ALA 422 N 0.92 1.58 0.00 0.00 0.00 -0.56 -1.05 119.26 120.15 1up8 h ALA 422 Ca 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1up8 h ALA 422 Cb 0.91 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1up8 h ALA 422 CO 0.08 0.31 -0.17 1.96 0.00 0.00 0.00 179.25 181.43 1up8 h GLN 423 N 0.12 0.00 -0.36 0.00 4.20 -1.33 -0.74 115.11 117.00 1up8 h GLN 423 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1up8 h GLN 423 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1up8 h GLN 423 CO 0.02 0.17 0.00 1.63 -0.67 0.00 0.00 178.83 179.98 1up8 n LYS 424 N -4.10 1.81 -3.14 1.46 5.02 -0.67 -4.92 118.16 113.62 1up8 n LYS 424 Ca -0.02 -1.19 -0.18 0.00 -2.02 0.00 0.00 58.31 54.89 1up8 n LYS 424 Cb 0.25 -1.29 0.05 0.00 -0.02 0.00 0.00 35.03 34.02 1up8 n LYS 424 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1up8 n GLY 425 N 0.98 -0.24 3.22 0.72 0.00 -0.28 -5.03 105.19 104.55 1up8 n GLY 425 Ca 0.11 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1up8 n GLY 425 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1up8 s GLU 426 N -5.78 1.24 -0.36 1.61 2.12 -0.49 -4.99 118.70 112.04 1up8 s GLU 426 Ca 0.37 -0.88 -0.09 0.00 0.36 0.00 0.00 54.97 54.72 1up8 s GLU 426 Cb -0.16 -1.33 0.04 0.00 0.26 0.00 0.00 34.13 32.94 1up8 s GLU 426 CO 0.45 0.34 0.17 0.45 -0.54 0.00 0.00 175.26 176.13 1up8 s SER 427 N -1.16 5.57 -0.01 -1.70 0.15 -1.26 -2.22 113.70 113.06 1up8 s SER 427 Ca 0.06 -1.09 0.06 0.00 0.70 0.00 0.00 55.95 55.68 1up8 s SER 427 Cb -0.08 -1.96 -0.01 0.00 -1.71 0.00 0.00 66.02 62.25 1up8 s SER 427 CO 0.02 -0.37 -0.18 -0.63 1.20 0.00 0.00 173.24 173.27 1up8 s ILE 428 N 1.49 1.44 -1.02 6.45 -1.09 -1.26 -4.82 121.20 122.39 1up8 s ILE 428 Ca 0.01 -0.79 -0.15 0.00 -2.23 0.00 0.00 60.65 57.49 1up8 s ILE 428 Cb -0.20 -1.20 -0.00 0.00 -1.58 0.00 0.00 42.46 39.48 1up8 s ILE 428 CO 0.05 0.40 0.73 0.49 -1.23 0.00 0.00 174.94 175.38 1up8 n PHE 429 N 2.62 -2.05 0.32 3.97 0.99 -1.26 -4.26 117.46 117.79 1up8 n PHE 429 Ca -0.15 0.60 0.20 0.00 -0.00 0.00 0.00 57.45 58.10 1up8 n PHE 429 Cb 0.54 -3.33 1.11 0.00 -1.00 0.00 0.00 39.48 36.80 1up8 n PHE 429 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1up8 h PRO 430 N -1.27 0.00 -0.45 -1.08 0.13 -1.98 -2.49 132.00 124.87 1up8 h PRO 430 Ca -0.56 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.70 1up8 h PRO 430 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1up8 h PRO 430 CO 0.43 0.00 0.42 0.93 -0.23 0.00 0.00 178.00 179.55 1up8 h GLU 431 N 0.00 0.00 -0.39 0.86 3.07 -1.97 0.13 114.58 116.27 1up8 h GLU 431 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1up8 h GLU 431 Cb 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1up8 h GLU 431 CO -0.00 0.00 0.00 1.33 -1.40 0.00 0.00 179.01 178.94 1up8 n VAL 432 N -3.89 2.18 -0.33 3.13 0.24 -0.94 -4.02 118.33 114.69 1up8 n VAL 432 Ca 0.08 -1.58 0.10 0.00 -2.04 0.00 0.00 64.34 60.90 1up8 n VAL 432 Cb 0.61 -0.11 0.30 0.00 -1.47 0.00 0.00 33.84 33.16 1up8 n VAL 432 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1up8 h ASP 433 N 2.63 0.82 -0.26 -1.34 3.32 -1.12 -1.72 116.42 118.76 1up8 h ASP 433 Ca 0.00 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1up8 h ASP 433 Cb 1.48 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 1up8 h ASP 433 CO 0.26 0.41 -0.06 0.25 -1.72 0.00 0.00 179.24 178.38 1up8 h LEU 434 N 0.87 0.50 -0.63 1.55 5.85 -1.82 -0.82 115.31 120.81 1up8 h LEU 434 Ca 0.50 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1up8 h LEU 434 Cb 0.63 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1up8 h LEU 434 CO -0.27 0.75 0.34 0.00 -0.34 0.00 0.00 178.44 178.92 1up8 h ALA 435 N 0.77 0.81 -0.78 1.25 0.00 -1.81 -1.47 119.26 118.02 1up8 h ALA 435 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1up8 h ALA 435 Cb 0.52 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1up8 h ALA 435 CO 0.02 0.33 0.45 0.28 0.00 0.00 0.00 179.25 180.34 1up8 h VAL 436 N 0.86 1.22 -0.07 0.00 2.07 -1.19 -1.87 116.25 117.28 1up8 h VAL 436 Ca 0.22 -0.51 -0.18 0.00 0.82 0.00 0.00 66.70 67.05 1up8 h VAL 436 Cb 0.05 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1up8 h VAL 436 CO -0.03 0.24 -0.72 -0.08 0.02 0.00 0.00 177.57 176.99 1up8 h GLU 437 N 1.08 0.35 0.00 1.57 4.22 -0.79 -3.34 114.58 117.67 1up8 h GLU 437 Ca 0.28 -0.29 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1up8 h GLU 437 Cb -0.02 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1up8 h GLU 437 CO -0.05 0.93 -1.18 0.39 -2.18 0.00 0.00 179.01 176.93 1up8 n GLU 438 N -3.82 0.38 -0.70 1.92 1.02 -0.59 -4.35 120.64 114.50 1up8 n GLU 438 Ca -0.04 -0.02 -0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1up8 n GLU 438 Cb 0.70 -1.61 0.23 0.00 -0.02 0.00 0.00 31.44 30.74 1up8 n GLU 438 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1up8 n LEU 439 N -2.08 4.34 -0.17 -4.62 4.77 -0.72 -4.78 117.00 113.74 1up8 n LEU 439 Ca 0.01 -3.41 -0.07 0.00 -0.03 0.00 0.00 56.01 52.51 1up8 n LEU 439 Cb 0.47 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 1up8 n LEU 439 CO 0.41 0.97 0.62 1.23 -1.33 0.00 0.00 177.39 179.30 1up8 h GLY 440 N 1.44 -0.22 1.00 -0.72 0.00 -1.76 0.15 103.07 102.96 1up8 h GLY 440 Ca 0.16 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.94 1up8 h GLY 440 CO 0.39 -0.20 0.30 -0.55 0.00 0.00 0.00 176.54 176.48 1up8 h ASP 441 N -0.21 0.51 -0.19 0.19 3.32 -1.96 -0.97 116.42 117.12 1up8 h ASP 441 Ca 0.20 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1up8 h ASP 441 Cb 0.55 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1up8 h ASP 441 CO -0.62 0.37 0.09 0.40 -1.72 0.00 0.00 179.24 177.76 1up8 h ILE 442 N 0.61 1.14 -0.53 0.35 2.04 -1.86 -2.84 117.51 116.43 1up8 h ILE 442 Ca 0.16 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1up8 h ILE 442 Cb -0.07 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1up8 h ILE 442 CO -0.04 0.14 0.23 -0.07 0.00 0.00 0.00 178.15 178.41 1up8 h LEU 443 N 0.17 0.68 -1.19 1.44 3.38 -0.46 -1.51 115.31 117.82 1up8 h LEU 443 Ca 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1up8 h LEU 443 Cb 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1up8 h LEU 443 CO -0.01 0.60 0.42 -0.33 0.09 0.00 0.00 178.44 179.21 1up8 h GLU 444 N 0.75 0.98 -0.32 1.13 4.39 -1.10 -1.16 114.58 119.25 1up8 h GLU 444 Ca 0.18 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.66 1up8 h GLU 444 Cb 0.12 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1up8 h GLU 444 CO -0.02 0.70 -0.35 0.87 -1.16 0.00 0.00 179.01 179.05 1up8 h LYS 445 N 0.99 0.71 -0.57 2.33 1.57 -1.06 -2.79 116.57 117.74 1up8 h LYS 445 Ca 0.26 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1up8 h LYS 445 Cb -0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1up8 h LYS 445 CO -0.05 0.95 0.20 0.00 -0.57 0.00 0.00 179.45 179.98 1up8 h ALA 446 N 1.02 0.75 -0.60 3.86 0.00 -0.98 -1.95 119.26 121.35 1up8 h ALA 446 Ca 0.06 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1up8 h ALA 446 Cb 0.87 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1up8 h ALA 446 CO 0.08 0.39 0.39 1.49 0.00 0.00 0.00 179.25 181.60 1up8 h GLU 447 N 0.80 0.77 -0.26 0.00 4.22 -1.17 0.20 114.58 119.13 1up8 h GLU 447 Ca 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.57 1up8 h GLU 447 Cb 0.25 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1up8 h GLU 447 CO -0.01 0.51 0.11 0.82 -2.18 0.00 0.00 179.01 178.26 1up8 h ILE 448 N 0.79 1.16 -0.80 2.32 2.04 -1.43 -1.67 117.51 119.93 1up8 h ILE 448 Ca 0.23 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1up8 h ILE 448 Cb -0.06 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1up8 h ILE 448 CO -0.07 0.16 0.41 -1.28 0.00 0.00 0.00 178.15 177.38 1up8 h SER 449 N 0.27 1.02 0.01 1.72 0.87 -1.13 -2.17 113.55 114.14 1up8 h SER 449 Ca 0.09 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.42 1up8 h SER 449 Cb 0.15 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1up8 h SER 449 CO -0.01 0.85 -0.34 0.78 -0.53 0.00 0.00 176.83 177.58 1up8 h ASN 450 N 1.12 0.47 -0.14 6.23 2.35 -0.51 -2.64 115.58 122.46 1up8 h ASN 450 Ca 0.28 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1up8 h ASN 450 Cb 0.08 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1up8 h ASN 450 CO -0.04 0.79 0.06 -0.09 -1.65 0.00 0.00 177.43 176.50 1up8 h ARG 451 N 0.39 0.20 -0.73 0.81 2.43 -0.82 -1.14 114.38 115.53 1up8 h ARG 451 Ca 0.05 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.29 1up8 h ARG 451 Cb 0.79 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.25 1up8 h ARG 451 CO 0.06 0.28 0.48 0.87 -1.51 0.00 0.00 179.97 180.15 1up8 h LYS 452 N 0.08 0.56 -0.10 0.20 1.57 -1.31 -0.39 116.57 117.20 1up8 h LYS 452 Ca 0.05 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1up8 h LYS 452 Cb 0.15 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.34 1up8 h LYS 452 CO -0.00 0.37 -0.57 0.37 -0.57 0.00 0.00 179.45 179.04 1up8 h GLN 453 N 0.58 0.56 -0.37 3.15 5.75 -1.09 -2.33 115.11 121.35 1up8 h GLN 453 Ca 0.34 -0.47 -0.08 0.00 -0.15 0.00 0.00 58.65 58.29 1up8 h GLN 453 Cb 0.55 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 1up8 h GLN 453 CO -0.12 1.10 -0.12 -0.91 -2.65 0.00 0.00 178.83 176.13 1up8 h ASN 454 N 0.17 0.64 -0.30 -0.69 2.35 -0.94 -0.28 115.58 116.53 1up8 h ASN 454 Ca -0.04 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1up8 h ASN 454 Cb 1.22 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 1up8 h ASN 454 CO 0.12 0.79 0.17 0.40 -1.65 0.00 0.00 177.43 177.26 1up8 h ILE 455 N 0.59 1.12 -0.69 2.81 2.04 -1.07 -1.38 117.51 120.92 1up8 h ILE 455 Ca 0.10 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.72 1up8 h ILE 455 Cb 0.55 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1up8 h ILE 455 CO 0.03 0.12 0.46 0.00 0.00 0.00 0.00 178.15 178.76 1up8 h ALA 456 N 1.05 1.66 0.00 1.87 0.00 -0.97 -1.40 119.26 121.47 1up8 h ALA 456 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1up8 h ALA 456 Cb 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1up8 h ALA 456 CO -0.02 0.25 0.00 -0.25 0.00 0.00 0.00 179.25 179.23 1up8 n ASP 457 N -4.47 0.00 0.00 0.00 10.43 -0.15 -4.90 116.55 117.46 1up8 n ASP 457 Ca 0.09 -0.35 0.00 0.00 2.57 0.00 0.00 54.79 57.10 1up8 n ASP 457 Cb 0.17 -0.19 0.00 0.00 1.84 0.00 0.00 41.12 42.94 1up8 n ASP 457 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1up8 n GLY 458 N 0.91 1.07 3.56 0.44 0.00 -0.53 -5.06 105.19 105.59 1up8 n GLY 458 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1up8 n GLY 458 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1up8 s ASP 459 N -2.00 6.40 0.43 1.61 -1.08 -0.55 -4.96 116.67 116.52 1up8 s ASP 459 Ca 0.00 0.03 0.13 0.00 -0.52 0.00 0.00 52.55 52.19 1up8 s ASP 459 Cb 0.00 -2.33 0.94 0.00 -1.46 0.00 0.00 42.92 40.08 1up8 s ASP 459 CO 0.00 -0.65 1.97 1.55 0.52 0.00 0.00 175.17 178.56 1up8 h PRO 460 N 8.58 0.04 -1.69 4.34 0.13 -1.89 -3.35 132.00 138.15 1up8 h PRO 460 Ca -0.26 -0.01 -0.34 0.00 -0.87 0.00 0.00 66.00 64.52 1up8 h PRO 460 Cb 1.11 -0.01 -0.27 0.00 0.13 0.00 0.00 31.00 31.96 1up8 h PRO 460 CO 0.85 0.23 -0.69 0.34 -0.23 0.00 0.00 178.00 178.50 1up8 s ASP 461 N -6.98 0.21 0.32 1.44 3.68 -1.26 -5.04 116.67 109.04 1up8 s ASP 461 Ca -0.04 -1.98 -0.29 0.00 2.13 0.00 0.00 52.55 52.37 1up8 s ASP 461 Cb 0.16 0.81 -0.10 0.00 -1.45 0.00 0.00 42.92 42.33 1up8 s ASP 461 CO 0.71 -0.16 1.34 -2.84 0.13 0.00 0.00 175.17 174.35 1up8 s PRO 462 N 0.91 4.32 0.74 4.34 0.02 -1.26 -5.01 135.00 139.05 1up8 s PRO 462 Ca 0.25 2.26 -0.15 0.00 0.02 0.00 0.00 61.00 63.38 1up8 s PRO 462 Cb -0.05 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.42 1up8 s PRO 462 CO -0.08 -0.26 0.96 -0.25 -0.33 0.00 0.00 177.00 177.04 1up8 n ASP 463 N 0.98 0.39 -4.77 2.53 8.00 -1.26 -4.96 116.55 117.46 1up8 n ASP 463 Ca 0.01 0.64 -0.41 0.00 0.71 0.00 0.00 54.79 55.75 1up8 n ASP 463 Cb 0.41 -1.40 -0.02 0.00 -0.02 0.00 0.00 41.12 40.09 1up8 n ASP 463 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1up8 s PRO 464 N -3.41 4.28 -0.06 -0.24 0.02 -1.26 -4.96 135.00 129.37 1up8 s PRO 464 Ca 0.72 2.33 -0.02 0.00 0.02 0.00 0.00 61.00 64.05 1up8 s PRO 464 Cb -0.33 -3.04 0.04 0.00 0.02 0.00 0.00 34.50 31.18 1up8 s PRO 464 CO 0.51 -0.30 0.12 0.45 -0.33 0.00 0.00 177.00 177.45 1up8 s SER 465 N -0.33 0.44 -0.22 2.53 0.15 -1.26 -5.02 113.70 109.99 1up8 s SER 465 Ca 0.51 0.24 0.14 0.00 0.70 0.00 0.00 55.95 57.54 1up8 s SER 465 Cb -0.42 0.13 0.63 0.00 -1.71 0.00 0.00 66.02 64.65 1up8 s SER 465 CO 0.55 -0.20 1.56 0.49 1.20 0.00 0.00 173.24 176.85 1up8 n PHE 466 N 4.80 1.45 -1.58 3.44 3.01 -1.26 -3.94 117.46 123.39 1up8 n PHE 466 Ca -0.15 -0.95 -0.36 0.00 1.01 0.00 0.00 57.45 57.00 1up8 n PHE 466 Cb 0.50 -0.43 0.08 0.00 -0.01 0.00 0.00 39.48 39.62 1up8 n PHE 466 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1up8 s LEU 467 N -2.88 3.46 -0.24 4.37 1.43 -1.26 -4.55 118.68 119.00 1up8 s LEU 467 Ca 0.47 2.55 -0.29 0.00 -1.03 0.00 0.00 54.13 55.83 1up8 s LEU 467 Cb 0.38 -4.61 -0.02 0.00 0.03 0.00 0.00 46.19 41.98 1up8 s LEU 467 CO 0.10 -2.18 1.46 -0.22 0.23 0.00 0.00 176.35 175.75 1up8 s LEU 468 N -4.72 3.93 0.20 1.79 2.96 -1.26 -4.95 118.68 116.63 1up8 s LEU 468 Ca 0.80 1.48 -0.31 0.00 -0.22 0.00 0.00 54.13 55.89 1up8 s LEU 468 Cb -0.35 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.71 1up8 s LEU 468 CO 0.42 -1.14 1.45 -2.84 -1.32 0.00 0.00 176.35 172.93 1up8 s PRO 469 N 4.36 4.27 -0.04 0.98 0.02 -1.26 -4.88 135.00 138.45 1up8 s PRO 469 Ca 0.64 2.26 -0.10 0.00 0.02 0.00 0.00 61.00 63.82 1up8 s PRO 469 Cb -0.22 -3.15 -0.05 0.00 0.02 0.00 0.00 34.50 31.11 1up8 s PRO 469 CO 0.26 -0.46 0.29 -1.64 -0.33 0.00 0.00 177.00 175.12 1up8 s MET 470 N 0.26 3.67 0.46 5.54 -1.94 -0.72 -4.80 119.30 121.78 1up8 s MET 470 Ca 0.63 0.12 0.26 0.00 -1.71 0.00 0.00 55.69 54.98 1up8 s MET 470 Cb -0.41 -3.17 0.91 0.00 2.01 0.00 0.00 34.83 34.17 1up8 s MET 470 CO 0.38 0.71 1.82 0.00 -0.01 0.00 0.00 175.02 177.91 1up8 h ALA 471 N 4.62 0.99 -3.93 3.03 0.00 -1.79 0.12 119.26 122.30 1up8 h ALA 471 Ca -0.52 -0.14 -0.69 0.00 0.00 0.00 0.00 54.91 53.56 1up8 h ALA 471 Cb 1.22 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.74 1up8 h ALA 471 CO 0.61 0.19 -0.77 -0.06 0.00 0.00 0.00 179.25 179.22 1up8 s PHE 472 N -3.55 2.71 0.36 0.00 2.99 -1.26 -4.83 117.98 114.40 1up8 s PHE 472 Ca 0.02 -0.25 0.07 0.00 0.00 0.00 0.00 56.93 56.77 1up8 s PHE 472 Cb 0.09 -1.66 0.76 0.00 0.00 0.00 0.00 43.02 42.21 1up8 s PHE 472 CO 0.62 0.11 1.93 0.00 -0.00 0.00 0.00 175.22 177.89 1up8 h ALA 473 N 5.57 1.74 -0.01 5.36 0.00 -1.87 -2.23 119.26 127.82 1up8 h ALA 473 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1up8 h ALA 473 Cb 1.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1up8 h ALA 473 CO 0.51 0.11 -0.27 -0.85 0.00 0.00 0.00 179.25 178.74 1up8 n GLU 474 N -4.50 0.66 0.00 0.00 0.00 -1.26 -4.74 120.64 110.80 1up8 n GLU 474 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 57.16 56.92 1up8 n GLU 474 Cb 0.30 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.25 1up8 n GLU 474 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1up8 n GLY 475 N 1.36 1.75 3.79 -1.84 0.00 -0.84 -4.84 105.19 104.57 1up8 n GLY 475 Ca 0.11 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1up8 n GLY 475 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1up8 s SER 476 N -4.00 5.10 1.06 1.61 1.04 -1.26 -4.82 113.70 112.43 1up8 s SER 476 Ca 0.00 1.78 -0.14 0.00 0.48 0.00 0.00 55.95 58.07 1up8 s SER 476 Cb 0.00 -2.52 0.15 0.00 0.10 0.00 0.00 66.02 63.75 1up8 s SER 476 CO 0.00 -1.63 0.58 -2.65 0.98 0.00 0.00 173.24 170.52 1up8 n PRO 477 N -2.97 -1.34 -1.56 4.02 -0.02 -1.26 -4.88 135.00 126.98 1up8 n PRO 477 Ca 0.09 -0.36 -0.36 0.00 -2.02 0.00 0.00 63.50 60.85 1up8 n PRO 477 Cb 0.53 -1.99 -0.04 0.00 -0.02 0.00 0.00 33.50 31.99 1up8 n PRO 477 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1up8 n PHE 478 N -4.36 2.18 -3.47 6.00 3.01 -1.26 -4.83 117.46 114.73 1up8 n PHE 478 Ca 0.05 -2.73 -0.13 0.00 1.01 0.00 0.00 57.45 55.64 1up8 n PHE 478 Cb 0.56 -2.05 -0.03 0.00 -0.01 0.00 0.00 39.48 37.94 1up8 n PHE 478 CO 0.00 0.00 0.00 -3.38 1.01 0.00 0.00 176.76 174.39 1up8 s HIS 479 N 0.41 -0.54 1.01 1.38 -3.43 -1.26 -2.64 115.29 110.21 1up8 s HIS 479 Ca 0.63 0.55 -0.11 0.00 -0.80 0.00 0.00 55.06 55.32 1up8 s HIS 479 Cb 0.21 0.51 0.18 0.00 -1.43 0.00 0.00 32.58 32.05 1up8 s HIS 479 CO -0.08 -0.72 0.98 -2.30 -2.00 0.00 0.00 174.74 170.62 1up8 n PRO 480 N 0.05 -1.08 0.18 -0.38 -0.02 -1.26 -4.96 135.00 127.53 1up8 n PRO 480 Ca -0.16 -0.26 0.04 0.00 -2.02 0.00 0.00 63.50 61.10 1up8 n PRO 480 Cb 0.62 -2.23 0.31 0.00 -0.02 0.00 0.00 33.50 32.18 1up8 n PRO 480 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1up8 h SER 481 N -2.10 0.00 -3.48 2.55 0.87 -1.62 -3.45 113.55 106.31 1up8 h SER 481 Ca -0.49 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.49 1up8 h SER 481 Cb 1.29 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 62.86 1up8 h SER 481 CO 0.42 0.42 -0.77 -0.47 -0.53 0.00 0.00 176.83 175.90 1up8 s TYR 482 N -3.68 1.97 0.00 2.24 5.04 -1.26 -4.21 117.35 117.45 1up8 s TYR 482 Ca -0.01 -1.53 0.00 0.00 -2.44 0.00 0.00 57.07 53.09 1up8 s TYR 482 Cb 0.12 -1.48 0.00 0.00 0.35 0.00 0.00 41.96 40.95 1up8 s TYR 482 CO 0.70 -0.74 0.00 0.41 -1.34 0.00 0.00 175.55 174.58 1up8 n GLY 483 N 4.79 1.59 3.32 8.97 0.00 -1.26 -2.98 105.19 119.62 1up8 n GLY 483 Ca -0.10 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 1up8 n GLY 483 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1up8 s SER 484 N -1.00 3.47 0.17 1.61 0.15 -1.26 -4.86 113.70 111.97 1up8 s SER 484 Ca 0.00 -0.43 -0.14 0.00 0.70 0.00 0.00 55.95 56.08 1up8 s SER 484 Cb 0.00 -1.16 0.05 0.00 -1.71 0.00 0.00 66.02 63.20 1up8 s SER 484 CO 0.00 0.22 1.79 1.23 1.20 0.00 0.00 173.24 177.68 1up8 h GLY 485 N 6.26 0.77 0.95 9.45 0.00 -1.95 -1.95 103.07 116.60 1up8 h GLY 485 Ca -0.30 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.65 1up8 h GLY 485 CO 0.50 0.33 0.10 0.45 0.00 0.00 0.00 176.54 177.91 1up8 h HIS 486 N 0.70 0.75 -0.12 5.60 3.86 -1.97 -2.81 115.15 121.16 1up8 h HIS 486 Ca 0.19 -0.09 -0.18 0.00 -1.16 0.00 0.00 60.37 59.12 1up8 h HIS 486 Cb 0.02 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.28 1up8 h HIS 486 CO -0.02 0.70 -0.69 0.00 0.86 0.00 0.00 177.93 178.78 1up8 h ALA 487 N 0.96 0.58 -0.39 2.45 0.00 -1.91 -1.12 119.26 119.83 1up8 h ALA 487 Ca 0.14 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1up8 h ALA 487 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1up8 h ALA 487 CO 0.00 0.73 -0.00 -0.24 0.00 0.00 0.00 179.25 179.74 1up8 h VAL 488 N 0.35 1.26 -0.50 0.00 3.04 -1.38 -1.02 116.25 118.01 1up8 h VAL 488 Ca -0.02 -1.01 -0.06 0.00 -1.01 0.00 0.00 66.70 64.60 1up8 h VAL 488 Cb 1.26 1.14 -0.02 0.00 -2.01 0.00 0.00 31.29 31.66 1up8 h VAL 488 CO 0.12 0.34 0.09 0.58 -1.01 0.00 0.00 177.57 177.70 1up8 h VAL 489 N 0.52 1.25 -0.41 1.51 2.07 -1.47 -2.34 116.25 117.38 1up8 h VAL 489 Ca 0.11 -0.91 0.07 0.00 0.82 0.00 0.00 66.70 66.79 1up8 h VAL 489 Cb 0.48 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 1up8 h VAL 489 CO 0.02 0.33 0.05 0.00 0.02 0.00 0.00 177.57 177.98 1up8 h ALA 490 N 0.98 0.41 -0.56 1.67 0.00 -0.98 -1.09 119.26 119.70 1up8 h ALA 490 Ca 0.15 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1up8 h ALA 490 Cb 0.38 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1up8 h ALA 490 CO 0.01 -0.35 0.34 0.78 0.00 0.00 0.00 179.25 180.02 1up8 h GLY 491 N 0.16 0.81 0.65 0.00 0.00 -0.96 -1.28 103.07 102.45 1up8 h GLY 491 Ca 0.20 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1up8 h GLY 491 CO -0.29 0.33 -0.01 0.00 0.00 0.00 0.00 176.54 176.56 1up8 h ALA 492 N 1.17 -0.03 -0.02 3.60 0.00 -1.20 -2.82 119.26 119.95 1up8 h ALA 492 Ca 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1up8 h ALA 492 Cb -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1up8 h ALA 492 CO -0.04 -0.34 0.01 0.00 0.00 0.00 0.00 179.25 178.88 1up8 h VAL 494 N -0.14 0.38 -0.41 0.00 -1.51 -1.35 -2.32 116.25 110.91 1up8 h VAL 494 Ca 0.01 -0.51 -0.08 0.00 -1.23 0.00 0.00 66.70 64.89 1up8 h VAL 494 Cb 0.18 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 1up8 h VAL 494 CO -0.00 0.09 -0.06 0.74 -1.23 0.00 0.00 177.57 177.11 1up8 h THR 495 N 0.00 1.27 -0.65 7.19 2.02 -1.25 -2.15 112.91 119.34 1up8 h THR 495 Ca -0.00 -1.12 -0.07 0.00 0.77 0.00 0.00 66.41 65.99 1up8 h THR 495 Cb 0.36 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1up8 h THR 495 CO 0.01 0.38 0.13 0.40 0.37 0.00 0.00 175.52 176.82 1up8 h ILE 496 N 0.58 1.26 -0.27 3.11 1.08 -0.97 -2.70 117.51 119.61 1up8 h ILE 496 Ca 0.11 -0.98 -0.18 0.00 -0.39 0.00 0.00 64.86 63.42 1up8 h ILE 496 Cb 0.56 0.64 -0.00 0.00 -3.07 0.00 0.00 36.82 34.95 1up8 h ILE 496 CO 0.03 0.37 -0.53 -0.07 -0.69 0.00 0.00 178.15 177.26 1up8 h LEU 497 N 0.98 0.87 -0.89 1.44 3.38 -1.31 -1.02 115.31 118.76 1up8 h LEU 497 Ca 0.20 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 1up8 h LEU 497 Cb 0.40 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1up8 h LEU 497 CO 0.01 1.23 -0.13 0.11 0.09 0.00 0.00 178.44 179.75 1up8 h LYS 498 N 0.60 0.67 -0.16 1.13 1.57 -1.40 -1.98 116.57 117.01 1up8 h LYS 498 Ca 0.02 -0.22 -0.21 0.00 -1.87 0.00 0.00 60.65 58.36 1up8 h LYS 498 Cb 1.12 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.38 1up8 h LYS 498 CO 0.11 0.78 -0.75 0.00 -0.57 0.00 0.00 179.45 179.02 1up8 h ALA 499 N 1.25 0.37 0.04 3.86 0.00 -1.31 -3.36 119.26 120.10 1up8 h ALA 499 Ca 0.10 -0.59 -0.27 0.00 0.00 0.00 0.00 54.91 54.15 1up8 h ALA 499 Cb 0.57 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.36 1up8 h ALA 499 CO 0.04 0.69 -1.09 0.35 0.00 0.00 0.00 179.25 179.24 1up8 h PHE 500 N 0.52 0.94 -3.58 0.00 3.57 -1.10 -3.39 116.94 113.90 1up8 h PHE 500 Ca -0.04 -0.54 -0.48 0.00 3.53 0.00 0.00 57.97 60.44 1up8 h PHE 500 Cb 1.37 -0.09 0.05 0.00 2.79 0.00 0.00 35.95 40.06 1up8 h PHE 500 CO 0.08 1.38 0.14 -0.06 -2.23 0.00 0.00 178.31 177.62 1up8 s PHE 501 N -3.19 3.33 -1.07 0.41 0.40 -0.75 -0.21 117.98 116.90 1up8 s PHE 501 Ca -0.09 0.67 -0.22 0.00 -0.60 0.00 0.00 56.93 56.69 1up8 s PHE 501 Cb 0.07 -2.60 0.03 0.00 0.51 0.00 0.00 43.02 41.03 1up8 s PHE 501 CO 0.91 -0.65 1.64 0.34 0.70 0.00 0.00 175.22 178.16 1up8 s ASP 502 N -4.25 6.22 0.00 1.36 -1.08 -0.42 -3.63 116.67 114.87 1up8 s ASP 502 Ca 0.52 -1.55 0.15 0.00 -0.52 0.00 0.00 52.55 51.15 1up8 s ASP 502 Cb -0.10 -2.57 0.67 0.00 -1.46 0.00 0.00 42.92 39.45 1up8 s ASP 502 CO 0.45 -1.78 1.48 -1.54 0.52 0.00 0.00 175.17 174.30 1up8 n SER 503 N 10.11 0.00 0.01 -0.34 3.41 -1.26 -2.43 113.62 123.12 1up8 n SER 503 Ca 0.39 0.42 0.14 0.00 -0.26 0.00 0.00 58.87 59.56 1up8 n SER 503 Cb 0.49 -0.46 0.59 0.00 -0.26 0.00 0.00 64.21 64.57 1up8 n SER 503 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1up8 n GLY 504 N 0.05 -1.51 3.69 5.00 0.00 -1.26 -1.30 105.19 109.86 1up8 n GLY 504 Ca 0.04 -0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 1up8 n GLY 504 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1up8 n ILE 505 N -1.58 1.20 -3.45 -0.61 2.08 -1.02 -4.78 119.36 111.21 1up8 n ILE 505 Ca 0.07 -0.30 -0.37 0.00 0.56 0.00 0.00 62.75 62.71 1up8 n ILE 505 Cb 0.34 -1.55 -0.06 0.00 -0.75 0.00 0.00 39.64 37.62 1up8 n ILE 505 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1up8 s GLU 506 N -0.76 3.94 0.02 0.38 2.02 -1.26 -1.30 118.70 121.74 1up8 s GLU 506 Ca 0.65 0.43 -0.30 0.00 0.02 0.00 0.00 54.97 55.76 1up8 s GLU 506 Cb -0.61 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 30.47 1up8 s GLU 506 CO 0.52 0.60 1.11 0.42 0.02 0.00 0.00 175.26 177.94 1up8 s ILE 507 N -1.25 4.39 -0.00 -1.63 1.01 0.12 -4.90 121.20 118.93 1up8 s ILE 507 Ca 0.30 1.71 -0.13 0.00 0.00 0.00 0.00 60.65 62.53 1up8 s ILE 507 Cb -0.16 -4.10 -0.07 0.00 0.01 0.00 0.00 42.46 38.14 1up8 s ILE 507 CO 0.17 0.12 0.78 -0.78 0.00 0.00 0.00 174.94 175.22 1up8 h ASP 508 N 6.88 -0.40 -3.28 3.58 3.58 -1.97 -3.42 116.42 121.40 1up8 h ASP 508 Ca -0.40 0.01 -0.67 0.00 0.42 0.00 0.00 57.03 56.39 1up8 h ASP 508 Cb 1.21 0.10 -0.33 0.00 1.72 0.00 0.00 39.33 42.03 1up8 h ASP 508 CO 0.80 -0.16 -0.87 -1.58 -2.88 0.00 0.00 179.24 174.54 1up8 s GLN 509 N -3.32 3.00 -0.20 0.28 2.00 -1.26 -5.09 119.66 115.07 1up8 s GLN 509 Ca -0.07 -0.86 -0.12 0.00 -2.00 0.00 0.00 55.36 52.31 1up8 s GLN 509 Cb 0.01 -2.34 -0.05 0.00 0.80 0.00 0.00 33.01 31.43 1up8 s GLN 509 CO 0.20 0.09 0.24 0.08 -0.50 0.00 0.00 175.29 175.40 1up8 s VAL 510 N 0.57 5.32 0.38 1.34 1.01 -1.26 -5.07 120.40 122.68 1up8 s VAL 510 Ca -0.13 0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.32 1up8 s VAL 510 Cb -0.17 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1up8 s VAL 510 CO 0.04 0.35 0.17 -0.36 0.00 0.00 0.00 175.10 175.30 1up8 s PHE 511 N 0.84 2.64 0.16 5.22 0.40 -1.26 -1.17 117.98 124.80 1up8 s PHE 511 Ca 0.12 -0.50 -0.17 0.00 -0.60 0.00 0.00 56.93 55.79 1up8 s PHE 511 Cb -0.13 -1.82 0.03 0.00 0.51 0.00 0.00 43.02 41.61 1up8 s PHE 511 CO 0.04 0.24 0.46 -2.00 0.70 0.00 0.00 175.22 174.66 1up8 s GLU 512 N -3.88 1.23 0.13 0.44 2.12 -0.50 -4.77 118.70 113.48 1up8 s GLU 512 Ca 0.40 -0.79 -0.28 0.00 0.36 0.00 0.00 54.97 54.66 1up8 s GLU 512 Cb 0.01 0.50 -0.07 0.00 0.26 0.00 0.00 34.13 34.83 1up8 s GLU 512 CO 0.23 -0.51 0.88 0.08 -0.54 0.00 0.00 175.26 175.40 1up8 s VAL 513 N -3.84 4.43 0.47 3.70 1.01 -1.26 -0.83 120.40 124.08 1up8 s VAL 513 Ca 0.07 1.92 -0.24 0.00 0.00 0.00 0.00 61.98 63.72 1up8 s VAL 513 Cb 0.00 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 1up8 s VAL 513 CO -0.07 0.40 1.32 -0.62 0.00 0.00 0.00 175.10 176.13 1up8 s ASP 514 N -0.46 5.88 0.29 3.32 2.15 0.40 -4.78 116.67 123.47 1up8 s ASP 514 Ca 0.42 2.67 0.03 0.00 0.43 0.00 0.00 52.55 56.10 1up8 s ASP 514 Cb -0.23 -2.63 0.44 0.00 -0.30 0.00 0.00 42.92 40.19 1up8 s ASP 514 CO 0.28 -1.14 1.74 0.11 -0.17 0.00 0.00 175.17 175.99 1up8 h LYS 515 N 2.12 0.48 0.03 4.34 1.57 -1.93 -3.36 116.57 119.82 1up8 h LYS 515 Ca -0.50 -0.17 -0.36 0.00 -1.87 0.00 0.00 60.65 57.74 1up8 h LYS 515 Cb 1.27 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 1up8 h LYS 515 CO 0.60 0.68 -2.22 -0.25 -0.57 0.00 0.00 179.45 177.69 1up8 n ASP 516 N -4.14 1.32 -4.34 0.86 8.00 -1.26 -5.04 116.55 111.95 1up8 n ASP 516 Ca -0.00 0.07 -0.18 0.00 0.71 0.00 0.00 54.79 55.39 1up8 n ASP 516 Cb 0.39 -0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.29 1up8 n ASP 516 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1up8 s GLU 517 N -2.53 1.35 -1.38 -1.24 0.41 -1.26 -5.06 118.70 108.98 1up8 s GLU 517 Ca -0.21 -1.67 -0.15 0.00 -0.41 0.00 0.00 54.97 52.53 1up8 s GLU 517 Cb 0.08 -0.73 0.07 0.00 -1.78 0.00 0.00 34.13 31.77 1up8 s GLU 517 CO 0.73 -0.05 2.00 -3.47 -0.49 0.00 0.00 175.26 173.99 1up8 n ASP 518 N -0.43 4.39 -3.82 -0.19 2.03 -1.26 -4.15 116.55 113.12 1up8 n ASP 518 Ca -0.06 -2.90 -0.08 0.00 0.52 0.00 0.00 54.79 52.27 1up8 n ASP 518 Cb 0.63 -1.67 -0.03 0.00 -0.72 0.00 0.00 41.12 39.34 1up8 n ASP 518 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1up8 s LYS 519 N 3.17 1.65 0.31 -0.67 -2.85 -1.26 -4.90 119.74 115.19 1up8 s LYS 519 Ca 0.48 -0.96 -0.22 0.00 -1.00 0.00 0.00 55.97 54.26 1up8 s LYS 519 Cb 0.10 0.58 -0.09 0.00 -2.06 0.00 0.00 37.83 36.35 1up8 s LYS 519 CO -0.02 -0.74 0.86 -0.51 0.10 0.00 0.00 175.35 175.04 1up8 s LEU 520 N -2.91 4.26 0.10 2.77 1.43 -1.26 -0.45 118.68 122.61 1up8 s LEU 520 Ca 0.12 1.64 0.06 0.00 -1.03 0.00 0.00 54.13 54.91 1up8 s LEU 520 Cb -0.04 -3.97 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 1up8 s LEU 520 CO 0.04 -0.09 -0.15 0.54 0.23 0.00 0.00 176.35 176.92 1up8 s VAL 521 N -1.71 1.31 0.24 -1.59 0.11 -0.01 -4.76 120.40 113.99 1up8 s VAL 521 Ca 0.50 -1.53 -0.30 0.00 -2.93 0.00 0.00 61.98 57.72 1up8 s VAL 521 Cb -0.16 -1.36 -0.09 0.00 -1.53 0.00 0.00 36.38 33.25 1up8 s VAL 521 CO 0.21 -0.29 1.21 -0.54 -3.33 0.00 0.00 175.10 172.36 1up8 s LYS 522 N -2.19 4.49 0.48 1.54 1.02 -1.26 -1.41 119.74 122.41 1up8 s LYS 522 Ca 0.04 1.95 -0.12 0.00 0.02 0.00 0.00 55.97 57.86 1up8 s LYS 522 Cb -0.08 -3.19 -0.06 0.00 -0.52 0.00 0.00 37.83 33.98 1up8 s LYS 522 CO 0.03 -0.05 0.88 0.45 -0.92 0.00 0.00 175.35 175.74 1up8 s SER 523 N -0.22 6.48 0.00 2.83 0.15 -0.32 -4.86 113.70 117.76 1up8 s SER 523 Ca 0.50 1.29 0.23 0.00 0.70 0.00 0.00 55.95 58.68 1up8 s SER 523 Cb -0.34 -2.40 0.95 0.00 -1.71 0.00 0.00 66.02 62.53 1up8 s SER 523 CO 0.41 -0.55 1.67 -1.20 1.20 0.00 0.00 173.24 174.77 1up8 n SER 524 N -1.71 1.30 -4.69 5.45 7.64 -1.26 -4.93 113.62 115.43 1up8 n SER 524 Ca 0.04 -1.57 -0.45 0.00 1.01 0.00 0.00 58.87 57.91 1up8 n SER 524 Cb 0.54 -0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.65 1up8 n SER 524 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1up8 n PHE 525 N 0.05 2.42 -4.96 1.43 7.35 -1.26 -4.98 117.46 117.51 1up8 n PHE 525 Ca 0.17 0.23 -0.32 0.00 -0.76 0.00 0.00 57.45 56.76 1up8 n PHE 525 Cb 0.29 -2.57 -0.15 0.00 0.35 0.00 0.00 39.48 37.40 1up8 n PHE 525 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1up8 s LYS 526 N 0.75 2.87 0.00 -4.13 3.01 -1.26 -5.02 119.74 115.95 1up8 s LYS 526 Ca 0.76 -0.75 0.00 0.00 -1.01 0.00 0.00 55.97 54.97 1up8 s LYS 526 Cb -0.62 -2.42 0.00 0.00 -1.01 0.00 0.00 37.83 33.78 1up8 s LYS 526 CO 0.38 0.39 0.00 0.41 0.51 0.00 0.00 175.35 177.05 1up8 n GLY 527 N 2.97 0.78 3.29 -3.33 0.00 -1.26 -5.06 105.19 102.57 1up8 n GLY 527 Ca -0.18 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 1up8 n GLY 527 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1up8 s THR 528 N -1.14 2.28 0.05 2.61 2.01 -1.26 -5.11 115.64 115.07 1up8 s THR 528 Ca 0.00 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.05 1up8 s THR 528 Cb 0.00 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 1up8 s THR 528 CO 0.00 0.56 0.06 -0.76 -0.69 0.00 0.00 174.62 173.79 1up8 s LEU 529 N -0.05 3.73 0.29 4.42 1.43 -1.26 -5.02 118.68 122.22 1up8 s LEU 529 Ca -0.06 0.01 0.10 0.00 -1.03 0.00 0.00 54.13 53.15 1up8 s LEU 529 Cb -0.15 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.71 1up8 s LEU 529 CO 0.05 0.21 -0.06 0.42 0.23 0.00 0.00 176.35 177.20 1up8 s THR 530 N -1.28 2.96 0.21 5.49 -4.23 -1.26 0.11 115.64 117.64 1up8 s THR 530 Ca 0.26 -2.08 -0.09 0.00 -1.18 0.00 0.00 61.69 58.60 1up8 s THR 530 Cb -0.12 -2.66 0.15 0.00 1.34 0.00 0.00 72.50 71.21 1up8 s THR 530 CO 0.18 -0.34 1.78 0.58 -0.54 0.00 0.00 174.62 176.27 1up8 h VAL 531 N 1.99 0.87 -0.49 2.29 2.07 -1.21 -1.51 116.25 120.26 1up8 h VAL 531 Ca -0.43 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1up8 h VAL 531 Cb 1.25 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1up8 h VAL 531 CO 0.62 0.10 0.17 0.00 0.02 0.00 0.00 177.57 178.48 1up8 h ALA 532 N 1.39 0.64 -0.60 1.67 0.00 -1.48 -0.09 119.26 120.79 1up8 h ALA 532 Ca 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1up8 h ALA 532 Cb 0.30 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1up8 h ALA 532 CO -0.24 0.28 0.32 0.78 0.00 0.00 0.00 179.25 180.38 1up8 h GLY 533 N 0.65 0.90 1.98 0.00 0.00 -1.76 -1.38 103.07 103.47 1up8 h GLY 533 Ca 0.16 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 1up8 h GLY 533 CO -0.01 0.40 -0.59 0.83 0.00 0.00 0.00 176.54 177.17 1up8 h GLU 534 N 0.82 0.02 -0.48 4.80 4.39 -1.02 -1.39 114.58 121.72 1up8 h GLU 534 Ca 0.21 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.83 1up8 h GLU 534 Cb 0.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1up8 h GLU 534 CO -0.03 0.61 0.06 -0.07 -1.16 0.00 0.00 179.01 178.42 1up8 h LEU 535 N 0.02 0.78 -0.59 1.33 3.38 -0.83 -1.21 115.31 118.19 1up8 h LEU 535 Ca -0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1up8 h LEU 535 Cb 1.06 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1up8 h LEU 535 CO 0.08 0.85 0.36 0.78 0.09 0.00 0.00 178.44 180.60 1up8 h ASN 536 N 0.68 0.71 -0.71 -0.43 2.35 -1.16 -1.95 115.58 115.06 1up8 h ASN 536 Ca 0.14 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1up8 h ASN 536 Cb 0.42 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 1up8 h ASN 536 CO 0.01 0.56 0.47 0.50 -1.65 0.00 0.00 177.43 177.32 1up8 h LYS 537 N 0.80 0.92 -0.00 0.81 3.64 -1.17 -0.52 116.57 121.05 1up8 h LYS 537 Ca 0.21 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1up8 h LYS 537 Cb -0.02 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1up8 h LYS 537 CO -0.04 0.61 -0.06 1.25 -2.27 0.00 0.00 179.45 178.94 1up8 h LEU 538 N 0.94 -0.18 -0.51 5.20 5.85 -0.95 0.38 115.31 126.05 1up8 h LEU 538 Ca 0.27 0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.11 1up8 h LEU 538 Cb -0.08 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 1up8 h LEU 538 CO -0.07 -0.09 0.05 0.00 -0.34 0.00 0.00 178.44 177.99 1up8 h ALA 539 N 0.88 0.53 -0.11 1.25 0.00 -0.91 -0.89 119.26 120.01 1up8 h ALA 539 Ca 0.03 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1up8 h ALA 539 Cb 0.14 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1up8 h ALA 539 CO -0.07 -0.35 -0.10 -0.44 0.00 0.00 0.00 179.25 178.29 1up8 h ASP 540 N 0.17 0.15 0.10 0.00 3.32 -0.43 -2.22 116.42 117.52 1up8 h ASP 540 Ca 0.26 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1up8 h ASP 540 Cb 0.37 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1up8 h ASP 540 CO -0.38 0.28 -0.05 0.78 -1.72 0.00 0.00 179.24 178.15 1up8 h ASN 541 N 0.16 -0.12 -0.63 6.45 -0.26 0.11 -1.31 115.58 119.98 1up8 h ASN 541 Ca 0.04 -0.24 -0.01 0.00 -0.56 0.00 0.00 56.30 55.52 1up8 h ASN 541 Cb 0.28 0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.54 1up8 h ASN 541 CO 0.02 0.18 0.34 0.40 -1.06 0.00 0.00 177.43 177.31 1up8 h ILE 542 N -0.43 1.20 -0.21 2.81 1.08 -1.39 0.54 117.51 121.12 1up8 h ILE 542 Ca -0.01 -0.52 -0.04 0.00 -0.39 0.00 0.00 64.86 63.89 1up8 h ILE 542 Cb 0.36 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1up8 h ILE 542 CO 0.02 0.22 -0.04 0.00 -0.69 0.00 0.00 178.15 177.67 1up8 h ALA 543 N 1.16 0.29 0.00 1.87 0.00 -1.43 -2.93 119.26 118.22 1up8 h ALA 543 Ca 0.22 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1up8 h ALA 543 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1up8 h ALA 543 CO -0.03 0.05 -0.34 0.82 0.00 0.00 0.00 179.25 179.75 1up8 h ILE 544 N 0.13 0.80 -0.97 0.00 1.08 -1.21 -2.56 117.51 114.78 1up8 h ILE 544 Ca 0.05 -1.42 0.20 0.00 -0.39 0.00 0.00 64.86 63.30 1up8 h ILE 544 Cb 0.47 1.89 -0.11 0.00 -3.07 0.00 0.00 36.82 36.00 1up8 h ILE 544 CO 0.02 0.33 0.56 1.23 -0.69 0.00 0.00 178.15 179.59 1up8 h GLY 545 N 2.09 1.73 1.06 5.37 0.00 -0.70 0.15 103.07 112.77 1up8 h GLY 545 Ca -0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1up8 h GLY 545 CO 0.04 -0.12 0.19 3.21 0.00 0.00 0.00 176.54 179.86 1up8 h ARG 546 N 0.66 1.15 -0.75 4.80 2.47 -1.39 -1.79 114.38 119.53 1up8 h ARG 546 Ca 0.57 -0.27 -0.05 0.00 -1.26 0.00 0.00 59.98 58.98 1up8 h ARG 546 Cb 0.95 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 29.08 1up8 h ARG 546 CO -0.42 1.00 0.28 -0.91 0.56 0.00 0.00 179.97 180.49 1up8 h ASN 547 N 1.09 1.04 0.79 7.04 4.21 -1.26 -2.01 115.58 126.49 1up8 h ASN 547 Ca 0.23 -0.17 -0.04 0.00 1.21 0.00 0.00 56.30 57.53 1up8 h ASN 547 Cb 0.36 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.28 1up8 h ASN 547 CO -0.00 0.94 -0.20 0.24 -1.29 0.00 0.00 177.43 177.12 1up8 h MET 548 N 1.10 0.00 0.00 0.81 2.86 -0.57 -1.48 114.93 117.65 1up8 h MET 548 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1up8 h MET 548 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1up8 h MET 548 CO -0.02 0.20 -0.07 0.00 1.06 0.00 0.00 176.91 178.08 1up8 n ALA 549 N -2.23 2.36 -0.09 6.32 0.00 -0.71 -4.60 120.51 121.56 1up8 n ALA 549 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1up8 n ALA 549 Cb 0.38 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1up8 n ALA 549 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1up8 n GLY 550 N 1.32 0.95 0.09 0.00 0.00 -0.56 -2.41 105.19 104.58 1up8 n GLY 550 Ca 0.05 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1up8 n GLY 550 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1up8 n VAL 551 N -2.09 0.00 -4.06 1.61 0.24 -0.79 -4.19 118.33 109.06 1up8 n VAL 551 Ca 0.00 -0.21 -0.07 0.00 -2.04 0.00 0.00 64.34 62.02 1up8 n VAL 551 Cb 0.00 1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 33.32 1up8 n VAL 551 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1up8 s HIS 552 N -2.21 0.46 0.43 6.34 4.02 -1.24 -4.53 115.29 118.55 1up8 s HIS 552 Ca 0.07 -0.97 -0.01 0.00 1.02 0.00 0.00 55.06 55.17 1up8 s HIS 552 Cb 0.11 -0.34 -0.02 0.00 -1.02 0.00 0.00 32.58 31.31 1up8 s HIS 552 CO 0.53 -0.38 0.66 0.71 1.02 0.00 0.00 174.74 177.29 1up8 s TYR 553 N -3.68 3.37 0.16 1.40 1.51 -1.26 -4.32 117.35 114.53 1up8 s TYR 553 Ca 0.05 0.39 -0.24 0.00 -1.01 0.00 0.00 57.07 56.26 1up8 s TYR 553 Cb 0.06 -2.19 0.05 0.00 -0.11 0.00 0.00 41.96 39.77 1up8 s TYR 553 CO -0.09 -0.21 1.59 0.35 -1.11 0.00 0.00 175.55 176.08 1up8 h PHE 554 N 0.46 -0.95 -0.37 2.71 3.57 -1.99 -2.40 116.94 117.97 1up8 h PHE 554 Ca -0.47 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1up8 h PHE 554 Cb 1.23 0.48 -0.02 0.00 2.79 0.00 0.00 35.95 40.43 1up8 h PHE 554 CO 0.49 -0.39 0.21 0.66 -2.23 0.00 0.00 178.31 177.05 1up8 h SER 555 N -0.27 0.44 -0.96 0.41 4.64 -1.97 -0.26 113.55 115.58 1up8 h SER 555 Ca 0.17 -0.02 0.12 0.00 -0.47 0.00 0.00 61.79 61.59 1up8 h SER 555 Cb 0.55 -0.11 -0.09 0.00 -0.31 0.00 0.00 62.40 62.44 1up8 h SER 555 CO -0.54 0.35 0.59 0.44 -0.87 0.00 0.00 176.83 176.80 1up8 h ASP 556 N 0.51 0.84 0.01 4.97 3.32 -1.76 -2.41 116.42 121.90 1up8 h ASP 556 Ca 0.13 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1up8 h ASP 556 Cb 0.00 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1up8 h ASP 556 CO -0.02 0.44 -0.00 1.56 -1.72 0.00 0.00 179.24 179.49 1up8 h GLN 557 N 0.91 -0.01 -0.18 3.56 1.08 -1.01 -2.67 115.11 116.80 1up8 h GLN 557 Ca 0.48 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.72 1up8 h GLN 557 Cb 0.51 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.91 1up8 h GLN 557 CO -0.28 0.52 -0.05 0.35 -0.95 0.00 0.00 178.83 178.42 1up8 h PHE 558 N -1.00 -0.11 -0.38 2.96 3.57 -1.49 -1.24 116.94 119.25 1up8 h PHE 558 Ca -0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1up8 h PHE 558 Cb 0.53 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1up8 h PHE 558 CO 0.15 -0.09 0.20 0.93 -2.23 0.00 0.00 178.31 177.27 1up8 h GLU 559 N -0.01 0.52 -0.19 1.11 4.39 -1.56 -2.04 114.58 116.80 1up8 h GLU 559 Ca 0.09 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 1up8 h GLU 559 Cb 0.14 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1up8 h GLU 559 CO -0.19 0.39 -0.31 0.77 -1.16 0.00 0.00 179.01 178.51 1up8 h SER 560 N 0.53 0.40 -0.41 1.42 0.02 -1.01 -2.91 113.55 111.59 1up8 h SER 560 Ca 0.14 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 1up8 h SER 560 Cb 0.03 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1up8 h SER 560 CO -0.02 0.70 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.16 1up8 h LEU 561 N 0.34 0.88 -1.00 5.07 3.38 -0.52 -1.86 115.31 121.59 1up8 h LEU 561 Ca 0.04 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1up8 h LEU 561 Cb 0.72 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1up8 h LEU 561 CO 0.06 1.03 0.52 -0.07 0.09 0.00 0.00 178.44 180.06 1up8 h LEU 562 N 0.79 1.07 -0.32 1.67 3.38 -1.38 -2.21 115.31 118.31 1up8 h LEU 562 Ca 0.12 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1up8 h LEU 562 Cb 0.67 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1up8 h LEU 562 CO 0.05 0.83 -0.14 0.25 0.09 0.00 0.00 178.44 179.52 1up8 h LEU 563 N 1.23 0.68 -1.16 1.67 5.85 -1.29 -2.39 115.31 119.90 1up8 h LEU 563 Ca 0.32 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1up8 h LEU 563 Cb -0.03 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1up8 h LEU 563 CO -0.06 0.93 -0.02 1.23 -0.34 0.00 0.00 178.44 180.18 1up8 h GLY 564 N 0.43 0.60 0.93 3.75 0.00 -1.22 -2.35 103.07 105.21 1up8 h GLY 564 Ca 0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1up8 h GLY 564 CO 0.04 0.35 0.10 -2.09 0.00 0.00 0.00 176.54 174.94 1up8 h GLU 565 N 0.53 0.26 -0.84 4.80 4.81 -1.26 -2.04 114.58 120.84 1up8 h GLU 565 Ca 0.11 -0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.45 1up8 h GLU 565 Cb 0.37 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.61 1up8 h GLU 565 CO 0.01 0.27 0.43 1.96 -0.73 0.00 0.00 179.01 180.96 1up8 h GLN 566 N 0.19 0.60 -0.27 1.92 4.20 -1.24 -1.39 115.11 119.14 1up8 h GLN 566 Ca 0.07 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1up8 h GLN 566 Cb 0.09 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1up8 h GLN 566 CO -0.01 0.40 0.04 0.28 -0.67 0.00 0.00 178.83 178.87 1up8 h VAL 567 N 0.62 1.24 -0.42 -0.54 2.07 -1.15 -2.50 116.25 115.57 1up8 h VAL 567 Ca 0.45 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1up8 h VAL 567 Cb 0.63 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1up8 h VAL 567 CO -0.36 0.26 0.21 0.00 0.02 0.00 0.00 177.57 177.71 1up8 h ALA 568 N 0.86 0.53 -0.47 1.67 0.00 -1.07 -2.28 119.26 118.51 1up8 h ALA 568 Ca 0.08 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1up8 h ALA 568 Cb 0.35 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1up8 h ALA 568 CO 0.01 0.08 0.13 0.82 0.00 0.00 0.00 179.25 180.29 1up8 h ILE 569 N 0.54 0.80 -0.90 0.00 2.04 -1.22 -2.31 117.51 116.46 1up8 h ILE 569 Ca 0.14 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1up8 h ILE 569 Cb 0.09 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1up8 h ILE 569 CO -0.02 0.05 0.48 1.23 0.00 0.00 0.00 178.15 179.90 1up8 h GLY 570 N 0.29 1.35 1.04 5.37 0.00 -1.27 -1.61 103.07 108.24 1up8 h GLY 570 Ca 0.23 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1up8 h GLY 570 CO -0.26 0.59 0.28 -2.22 0.00 0.00 0.00 176.54 174.94 1up8 h ILE 571 N 1.26 1.26 -0.50 2.60 2.04 -1.08 -2.10 117.51 120.99 1up8 h ILE 571 Ca 0.32 -0.83 -0.10 0.00 1.00 0.00 0.00 64.86 65.24 1up8 h ILE 571 Cb 0.04 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1up8 h ILE 571 CO -0.05 0.33 -0.09 -0.07 0.00 0.00 0.00 178.15 178.27 1up8 h LEU 572 N 1.09 0.89 -0.28 1.44 3.38 -1.02 -2.08 115.31 118.73 1up8 h LEU 572 Ca 0.25 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1up8 h LEU 572 Cb 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1up8 h LEU 572 CO -0.02 1.01 0.08 -0.33 0.09 0.00 0.00 178.44 179.27 1up8 h GLU 573 N 0.81 0.45 -0.44 1.13 5.08 -1.15 -2.49 114.58 117.96 1up8 h GLU 573 Ca 0.14 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 1up8 h GLU 573 Cb 0.61 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1up8 h GLU 573 CO 0.04 0.51 -0.19 0.93 -1.00 0.00 0.00 179.01 179.30 1up8 h GLU 574 N 0.30 0.90 0.00 2.33 5.08 -1.31 -3.01 114.58 118.86 1up8 h GLU 574 Ca 0.09 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1up8 h GLU 574 Cb 0.26 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1up8 h GLU 574 CO -0.00 1.03 -0.11 1.96 -1.00 0.00 0.00 179.01 180.89 1up8 h GLN 575 N 0.73 0.00 0.00 2.33 4.20 -1.39 -2.97 115.11 118.01 1up8 h GLN 575 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1up8 h GLN 575 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1up8 h GLN 575 CO 0.06 0.11 0.02 0.66 -0.67 0.00 0.00 178.83 179.02 1up8 h SER 576 N 0.00 0.00 0.66 1.46 4.64 -1.30 -0.78 113.55 118.23 1up8 h SER 576 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1up8 h SER 576 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1up8 h SER 576 CO 0.01 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 1up8 n LEU 577 N -3.06 0.00 -0.12 5.97 4.77 -1.12 -3.70 117.00 119.73 1up8 n LEU 577 Ca -0.03 0.48 0.12 0.00 -0.03 0.00 0.00 56.01 56.55 1up8 n LEU 577 Cb 0.09 -0.48 0.26 0.00 -2.33 0.00 0.00 43.42 40.96 1up8 n LEU 577 CO 0.19 -0.15 0.48 0.35 -1.33 0.00 0.00 177.39 176.93 1up8 n THR 578 N -1.48 0.00 -4.20 -5.08 -2.24 -0.30 -4.96 114.28 96.03 1up8 n THR 578 Ca 0.05 -0.06 -0.31 0.00 -2.27 0.00 0.00 64.05 61.46 1up8 n THR 578 Cb 0.23 0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 68.80 1up8 n THR 578 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1up8 s TYR 579 N -2.78 3.00 -0.30 4.78 1.51 -1.24 -5.03 117.35 117.29 1up8 s TYR 579 Ca 0.16 -0.00 0.21 0.00 -1.01 0.00 0.00 57.07 56.43 1up8 s TYR 579 Cb 0.18 -1.58 0.14 0.00 -0.11 0.00 0.00 41.96 40.60 1up8 s TYR 579 CO 0.64 0.47 1.32 0.78 -1.11 0.00 0.00 175.55 177.64 1up8 h GLY 580 N 3.76 0.00 -1.55 0.71 0.00 -1.92 -3.48 103.07 100.59 1up8 h GLY 580 Ca -0.48 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.35 1up8 h GLY 580 CO 0.59 0.00 0.39 -0.54 0.00 0.00 0.00 176.54 176.97 1up8 s GLU 581 N -3.20 3.52 -0.42 4.80 8.01 -1.26 -5.03 118.70 125.12 1up8 s GLU 581 Ca 0.03 0.94 -0.17 0.00 0.01 0.00 0.00 54.97 55.78 1up8 s GLU 581 Cb 0.07 -2.07 0.02 0.00 -4.31 0.00 0.00 34.13 27.84 1up8 s GLU 581 CO 0.74 -0.63 0.44 1.21 0.01 0.00 0.00 175.26 177.03 1up8 s ASN 582 N -3.49 6.20 0.03 -0.19 2.47 -1.26 -5.02 114.94 113.68 1up8 s ASN 582 Ca 0.58 -0.67 -0.29 0.00 0.42 0.00 0.00 52.86 52.91 1up8 s ASN 582 Cb -0.12 -2.23 0.10 0.00 -1.45 0.00 0.00 41.25 37.56 1up8 s ASN 582 CO 0.44 -0.58 1.19 0.72 -3.72 0.00 0.00 177.10 175.15 1up8 s PHE 583 N 2.15 -0.07 0.12 0.43 -0.12 -1.26 -4.73 117.98 114.49 1up8 s PHE 583 Ca 0.12 -0.09 -0.15 0.00 -0.05 0.00 0.00 56.93 56.76 1up8 s PHE 583 Cb -0.17 0.57 0.03 0.00 -0.63 0.00 0.00 43.02 42.82 1up8 s PHE 583 CO 0.14 -0.43 0.38 -0.59 -0.05 0.00 0.00 175.22 174.66 1up8 s PHE 584 N -2.67 -0.17 -0.08 3.49 -0.12 -1.13 -5.01 117.98 112.29 1up8 s PHE 584 Ca 0.14 -0.15 -0.19 0.00 -0.05 0.00 0.00 56.93 56.67 1up8 s PHE 584 Cb 0.03 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 1up8 s PHE 584 CO -0.02 -0.68 0.52 -0.06 -0.05 0.00 0.00 175.22 174.93 1up8 s PHE 585 N -3.76 3.57 -0.28 3.49 0.40 -1.26 -4.03 117.98 116.10 1up8 s PHE 585 Ca 0.03 1.00 -0.14 0.00 -0.60 0.00 0.00 56.93 57.22 1up8 s PHE 585 Cb 0.02 -2.57 -0.04 0.00 0.51 0.00 0.00 43.02 40.94 1up8 s PHE 585 CO -0.12 0.23 0.32 1.21 0.70 0.00 0.00 175.22 177.56 1up8 s ASN 586 N 0.38 6.17 -0.23 1.36 3.04 -1.26 -0.11 114.94 124.30 1up8 s ASN 586 Ca 0.28 0.12 0.02 0.00 0.04 0.00 0.00 52.86 53.32 1up8 s ASN 586 Cb -0.16 -2.18 0.05 0.00 -1.54 0.00 0.00 41.25 37.42 1up8 s ASN 586 CO 0.13 -0.17 -0.10 -0.22 -3.04 0.00 0.00 177.10 173.69 1up8 s LEU 587 N 1.97 2.78 -0.34 3.21 2.96 -0.68 -4.29 118.68 124.30 1up8 s LEU 587 Ca 0.12 -1.13 -0.29 0.00 -0.22 0.00 0.00 54.13 52.62 1up8 s LEU 587 Cb -0.16 -1.37 0.00 0.00 0.50 0.00 0.00 46.19 45.16 1up8 s LEU 587 CO 0.10 -0.17 1.42 -2.16 -1.32 0.00 0.00 176.35 174.23 1up8 s PRO 588 N 1.27 3.71 0.82 0.98 0.04 -1.26 -2.21 135.00 138.36 1up8 s PRO 588 Ca -0.05 1.17 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 1up8 s PRO 588 Cb -0.18 -3.98 0.09 0.00 0.04 0.00 0.00 34.50 30.46 1up8 s PRO 588 CO -0.07 -1.38 1.14 0.15 0.04 0.00 0.00 177.00 176.88 1up8 s LYS 589 N 4.66 1.87 0.54 4.56 1.02 0.48 -4.94 119.74 127.94 1up8 s LYS 589 Ca 0.62 0.30 0.29 0.00 0.02 0.00 0.00 55.97 57.19 1up8 s LYS 589 Cb -0.17 -1.92 1.54 0.00 -0.52 0.00 0.00 37.83 36.76 1up8 s LYS 589 CO 0.29 -1.70 2.11 0.74 -0.92 0.00 0.00 175.35 175.87 1up8 h PHE 590 N -1.13 0.00 -0.14 3.18 0.05 -1.95 -2.65 116.94 114.30 1up8 h PHE 590 Ca -0.47 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.32 1up8 h PHE 590 Cb 1.31 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.26 1up8 h PHE 590 CO 0.36 0.09 0.00 -0.40 -0.18 0.00 0.00 178.31 178.18 1up8 n ASP 591 N -3.61 1.00 0.00 2.17 5.75 -1.26 -4.55 116.55 116.05 1up8 n ASP 591 Ca -0.02 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 1up8 n ASP 591 Cb 0.21 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1up8 n ASP 591 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1up8 n GLY 592 N 0.92 1.12 3.93 6.12 0.00 -1.00 -5.05 105.19 111.23 1up8 n GLY 592 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1up8 n GLY 592 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1up8 s THR 593 N -3.07 3.24 -0.09 2.61 -4.23 -1.26 -4.88 115.64 107.96 1up8 s THR 593 Ca 0.00 -1.19 0.04 0.00 -1.18 0.00 0.00 61.69 59.36 1up8 s THR 593 Cb 0.00 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1up8 s THR 593 CO 0.00 -0.07 -0.22 -0.89 -0.54 0.00 0.00 174.62 172.89 1up8 s THR 594 N -2.34 1.93 -0.07 3.99 2.01 -1.26 -0.38 115.64 119.51 1up8 s THR 594 Ca 0.48 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1up8 s THR 594 Cb -0.07 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1up8 s THR 594 CO 0.30 0.53 -0.08 -0.51 -0.69 0.00 0.00 174.62 174.17 1up8 s ILE 595 N 0.32 3.60 -0.22 1.82 2.07 -0.94 -4.98 121.20 122.88 1up8 s ILE 595 Ca -0.16 -0.52 -0.06 0.00 -1.41 0.00 0.00 60.65 58.50 1up8 s ILE 595 Cb -0.17 -2.47 -0.02 0.00 0.13 0.00 0.00 42.46 39.93 1up8 s ILE 595 CO 0.08 0.59 0.02 -1.10 -1.91 0.00 0.00 174.94 172.61 1up8 s GLN 596 N -0.74 3.60 0.00 3.50 -0.21 -1.26 -1.69 119.66 122.86 1up8 s GLN 596 Ca 0.11 -0.52 0.00 0.00 0.02 0.00 0.00 55.36 54.97 1up8 s GLN 596 Cb -0.11 -3.14 0.00 0.00 1.00 0.00 0.00 33.01 30.76 1up8 s GLN 596 CO 0.01 -0.07 0.50 -0.89 -2.12 0.00 0.00 175.29 172.72