#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxh s ARG 3 N 0.00 4.27 0.29 0.38 0.52 -1.26 -0.95 118.95 122.20 1xxh s ARG 3 Ca 0.00 1.03 -0.07 0.00 -0.52 0.00 0.00 55.73 56.18 1xxh s ARG 3 Cb 0.00 -3.60 -0.00 0.00 0.52 0.00 0.00 34.95 31.87 1xxh s ARG 3 CO 0.00 -0.40 0.45 -0.48 0.02 0.00 0.00 175.30 174.89 1xxh s LEU 4 N 2.40 0.71 0.17 2.53 0.05 0.14 -4.96 118.68 119.73 1xxh s LEU 4 Ca 0.38 -1.25 -0.01 0.00 0.05 0.00 0.00 54.13 53.30 1xxh s LEU 4 Cb -0.16 1.53 -0.04 0.00 -2.05 0.00 0.00 46.19 45.47 1xxh s LEU 4 CO 0.11 -1.21 0.36 -0.31 -0.55 0.00 0.00 176.35 174.75 1xxh s TYR 5 N -3.51 3.49 -0.05 3.48 2.02 -1.26 -1.06 117.35 120.46 1xxh s TYR 5 Ca 0.28 0.34 0.09 0.00 -0.37 0.00 0.00 57.07 57.42 1xxh s TYR 5 Cb 0.00 -1.85 0.52 0.00 -0.40 0.00 0.00 41.96 40.23 1xxh s TYR 5 CO 0.15 0.43 1.15 -2.30 -1.57 0.00 0.00 175.55 173.40 1xxh n PRO 6 N -0.41 0.07 0.14 -1.71 -0.02 -1.26 0.20 135.00 132.00 1xxh n PRO 6 Ca -0.05 0.50 0.07 0.00 -2.02 0.00 0.00 63.50 62.01 1xxh n PRO 6 Cb 0.53 -2.05 0.04 0.00 -0.02 0.00 0.00 33.50 32.01 1xxh n PRO 6 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xxh h GLU 7 N 0.00 0.00 -0.15 -0.52 5.08 -1.96 -3.32 114.58 113.71 1xxh h GLU 7 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xxh h GLU 7 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1xxh h GLU 7 CO 0.00 0.17 0.00 1.04 -1.00 0.00 0.00 179.01 179.22 1xxh n GLN 8 N -2.98 1.62 -0.08 2.33 6.02 0.13 -4.55 117.38 119.87 1xxh n GLN 8 Ca 0.00 -1.66 -0.12 0.00 -0.01 0.00 0.00 57.00 55.21 1xxh n GLN 8 Cb 0.64 -1.32 -0.05 0.00 1.02 0.00 0.00 30.24 30.53 1xxh n GLN 8 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1xxh h LEU 9 N 2.98 0.53 -2.13 1.08 5.85 -1.62 -2.84 115.31 119.16 1xxh h LEU 9 Ca 0.00 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1xxh h LEU 9 Cb 0.70 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 1xxh h LEU 9 CO 0.00 0.83 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.79 1xxh h ARG 10 N 0.23 0.00 0.14 1.25 9.65 -1.80 0.31 114.38 124.15 1xxh h ARG 10 Ca 0.05 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.64 1xxh h ARG 10 Cb 0.64 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.22 1xxh h ARG 10 CO 0.04 0.06 -1.34 0.00 2.80 0.00 0.00 179.97 181.52 1xxh h ALA 11 N 1.94 0.11 0.00 2.80 0.00 -1.83 -3.29 119.26 119.00 1xxh h ALA 11 Ca -0.00 -0.94 -0.19 0.00 0.00 0.00 0.00 54.91 53.79 1xxh h ALA 11 Cb 0.13 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1xxh h ALA 11 CO 0.01 0.98 -0.86 0.37 0.00 0.00 0.00 179.25 179.75 1xxh h GLN 12 N 0.08 0.06 0.00 0.00 -0.00 -1.19 -3.13 115.11 110.94 1xxh h GLN 12 Ca -0.18 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.40 1xxh h GLN 12 Cb 2.01 0.02 0.00 0.00 0.00 0.00 0.00 27.48 29.51 1xxh h GLN 12 CO 0.20 0.88 0.00 -0.11 0.00 0.00 0.00 178.83 179.80 1xxh n LEU 13 N -3.57 0.04 0.01 -2.39 7.94 0.05 -2.77 117.00 116.31 1xxh n LEU 13 Ca -0.02 0.51 -0.17 0.00 -1.11 0.00 0.00 56.01 55.23 1xxh n LEU 13 Cb 0.81 -0.50 -0.14 0.00 0.53 0.00 0.00 43.42 44.12 1xxh n LEU 13 CO 0.46 -0.25 -0.61 0.78 -1.11 0.00 0.00 177.39 176.66 1xxh h ASN 14 N 0.00 0.29 0.29 1.96 4.21 -1.61 -3.38 115.58 117.34 1xxh h ASN 14 Ca 0.00 -0.58 -0.01 0.00 1.21 0.00 0.00 56.30 56.91 1xxh h ASN 14 Cb 0.28 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 1xxh h ASN 14 CO 0.00 1.51 -0.14 -0.33 -1.29 0.00 0.00 177.43 177.19 1xxh h GLU 15 N 0.05 -0.37 0.00 0.81 5.08 -1.61 -3.46 114.58 115.08 1xxh h GLU 15 Ca -0.34 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1xxh h GLU 15 Cb 2.03 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.36 1xxh h GLU 15 CO 0.10 -0.15 0.00 0.41 -1.00 0.00 0.00 179.01 178.38 1xxh n GLY 16 N -0.85 0.65 3.57 -3.84 0.00 -1.20 -5.14 105.19 98.38 1xxh n GLY 16 Ca -0.10 0.63 -0.47 0.00 0.00 0.00 0.00 46.02 46.08 1xxh n GLY 16 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xxh n LEU 17 N 0.00 1.40 0.00 0.99 7.94 -1.26 -4.87 117.00 121.20 1xxh n LEU 17 Ca 0.00 1.16 -0.19 0.00 -1.11 0.00 0.00 56.01 55.87 1xxh n LEU 17 Cb 0.00 -1.22 0.04 0.00 0.53 0.00 0.00 43.42 42.77 1xxh n LEU 17 CO 0.00 -1.48 0.25 0.54 -1.11 0.00 0.00 177.39 175.59 1xxh n ARG 18 N 1.28 0.68 0.00 1.96 5.12 -1.26 -5.08 116.66 119.36 1xxh n ARG 18 Ca 0.13 -2.87 0.00 0.00 -1.93 0.00 0.00 57.85 53.18 1xxh n ARG 18 Cb 0.27 -0.05 0.00 0.00 -1.16 0.00 0.00 32.46 31.52 1xxh n ARG 18 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xxh n ALA 19 N -2.28 -0.32 -2.54 7.54 0.00 -1.12 -4.89 120.51 116.90 1xxh n ALA 19 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 1xxh n ALA 19 Cb 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.88 1xxh n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xxh s ALA 20 N -2.73 1.64 -0.06 0.00 0.00 -1.26 -2.68 121.76 116.68 1xxh s ALA 20 Ca 0.00 -1.27 0.06 0.00 0.00 0.00 0.00 51.96 50.75 1xxh s ALA 20 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1xxh s ALA 20 CO 0.00 0.22 -0.24 0.71 0.00 0.00 0.00 175.76 176.46 1xxh s TYR 21 N -1.67 2.47 -0.39 0.00 1.51 -0.18 -1.81 117.35 117.28 1xxh s TYR 21 Ca 0.08 -0.63 -0.03 0.00 -1.01 0.00 0.00 57.07 55.48 1xxh s TYR 21 Cb -0.08 -1.60 0.10 0.00 -0.11 0.00 0.00 41.96 40.27 1xxh s TYR 21 CO 0.04 -0.16 0.18 -0.51 -1.11 0.00 0.00 175.55 173.99 1xxh s LEU 22 N -0.25 5.06 -0.77 -1.29 1.43 -0.27 -0.97 118.68 121.62 1xxh s LEU 22 Ca -0.01 -1.91 -0.21 0.00 -1.03 0.00 0.00 54.13 50.98 1xxh s LEU 22 Cb -0.13 -1.82 0.10 0.00 0.03 0.00 0.00 46.19 44.37 1xxh s LEU 22 CO 0.03 -0.50 1.02 -0.76 0.23 0.00 0.00 176.35 176.36 1xxh s LEU 23 N 1.16 4.73 -0.28 1.79 1.43 0.14 -2.01 118.68 125.64 1xxh s LEU 23 Ca 0.06 -1.46 -0.06 0.00 -1.03 0.00 0.00 54.13 51.65 1xxh s LEU 23 Cb -0.22 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.61 1xxh s LEU 23 CO -0.04 -1.26 0.05 -0.76 0.23 0.00 0.00 176.35 174.57 1xxh s LEU 24 N 3.41 3.71 0.00 1.79 1.43 -1.10 -0.77 118.68 127.15 1xxh s LEU 24 Ca 0.26 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1xxh s LEU 24 Cb -0.12 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1xxh s LEU 24 CO 0.02 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.03 1xxh n GLY 25 N 4.83 -1.14 0.00 -3.19 0.00 0.14 -1.02 105.19 104.81 1xxh n GLY 25 Ca -0.15 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1xxh n GLY 25 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xxh n ASN 26 N 0.13 4.10 -4.57 1.61 2.85 0.34 -2.93 115.26 116.78 1xxh n ASN 26 Ca 0.00 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.07 1xxh n ASN 26 Cb 0.00 0.61 -0.03 0.00 1.24 0.00 0.00 39.78 41.60 1xxh n ASN 26 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1xxh s ASP 27 N -2.15 5.59 0.64 1.20 2.15 -1.09 -4.88 116.67 118.14 1xxh s ASP 27 Ca 0.00 0.72 0.24 0.00 0.43 0.00 0.00 52.55 53.94 1xxh s ASP 27 Cb 0.00 -2.53 1.25 0.00 -0.30 0.00 0.00 42.92 41.34 1xxh s ASP 27 CO 0.00 -2.05 1.71 -0.65 -0.17 0.00 0.00 175.17 174.00 1xxh h PRO 28 N 13.83 0.00 0.09 4.34 0.11 -1.95 -0.47 132.00 147.94 1xxh h PRO 28 Ca -0.29 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.47 1xxh h PRO 28 Cb 1.16 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1xxh h PRO 28 CO 1.14 0.00 -1.99 -0.11 -0.21 0.00 0.00 178.00 176.83 1xxh n LEU 29 N -3.05 2.56 0.26 2.35 7.94 -1.26 -3.22 117.00 122.58 1xxh n LEU 29 Ca 0.03 0.19 0.12 0.00 -1.11 0.00 0.00 56.01 55.24 1xxh n LEU 29 Cb 0.65 -1.06 0.71 0.00 0.53 0.00 0.00 43.42 44.25 1xxh n LEU 29 CO 0.15 0.78 0.98 -0.07 -1.11 0.00 0.00 177.39 178.13 1xxh h LEU 30 N -0.12 0.00 0.20 -1.96 3.38 -1.47 -1.39 115.31 113.95 1xxh h LEU 30 Ca -0.45 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.20 1xxh h LEU 30 Cb 1.90 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.67 1xxh h LEU 30 CO 0.00 0.11 -1.52 -0.07 0.09 0.00 0.00 178.44 177.06 1xxh h LEU 31 N 0.00 0.67 0.53 1.67 3.38 -1.49 -3.10 115.31 116.98 1xxh h LEU 31 Ca -0.00 -0.80 -0.03 0.00 0.09 0.00 0.00 57.88 57.15 1xxh h LEU 31 Cb 0.28 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1xxh h LEU 31 CO 0.01 1.64 -0.25 1.56 0.09 0.00 0.00 178.44 181.49 1xxh h GLN 32 N 0.12 -0.68 -0.60 1.13 1.08 -1.38 -1.80 115.11 112.97 1xxh h GLN 32 Ca -0.26 0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 56.94 1xxh h GLN 32 Cb 2.11 0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 29.66 1xxh h GLN 32 CO 0.23 -0.44 0.16 0.93 -0.95 0.00 0.00 178.83 178.75 1xxh h GLU 33 N -0.73 0.92 -0.10 1.46 5.08 -1.42 0.49 114.58 120.29 1xxh h GLU 33 Ca -0.07 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 57.94 1xxh h GLU 33 Cb 0.55 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1xxh h GLU 33 CO 0.12 0.82 -0.62 0.77 -1.00 0.00 0.00 179.01 179.10 1xxh h SER 34 N 0.89 0.39 -0.14 1.42 0.02 -1.57 -0.58 113.55 113.99 1xxh h SER 34 Ca 0.19 -0.22 -0.16 0.00 -0.84 0.00 0.00 61.79 60.76 1xxh h SER 34 Cb 0.30 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.73 1xxh h SER 34 CO -0.00 0.91 -0.53 -0.61 -1.14 0.00 0.00 176.83 175.46 1xxh h GLN 35 N 0.25 0.60 0.00 3.45 4.15 -1.04 -2.89 115.11 119.63 1xxh h GLN 35 Ca -0.01 -0.46 -0.06 0.00 0.77 0.00 0.00 58.65 58.89 1xxh h GLN 35 Cb 1.15 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 1xxh h GLN 35 CO 0.10 1.08 -0.30 -0.44 -1.93 0.00 0.00 178.83 177.35 1xxh h ASP 36 N 0.25 0.00 -0.68 -0.69 3.32 -0.90 -2.78 116.42 114.93 1xxh h ASP 36 Ca -0.03 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1xxh h ASP 36 Cb 1.16 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1xxh h ASP 36 CO 0.11 0.30 0.17 0.00 -1.72 0.00 0.00 179.24 178.10 1xxh h ALA 37 N 1.70 0.90 0.41 3.45 0.00 -0.99 -2.51 119.26 122.23 1xxh h ALA 37 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1xxh h ALA 37 Cb 0.80 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xxh h ALA 37 CO 0.04 0.61 -0.20 0.28 0.00 0.00 0.00 179.25 179.98 1xxh h VAL 38 N 1.02 0.23 0.00 0.00 2.07 -1.30 -3.14 116.25 115.13 1xxh h VAL 38 Ca 0.21 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1xxh h VAL 38 Cb 0.36 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1xxh h VAL 38 CO 0.00 0.05 0.03 0.54 0.02 0.00 0.00 177.57 178.21 1xxh n ARG 39 N -5.16 0.01 0.06 1.57 1.74 -1.07 -0.81 116.66 113.01 1xxh n ARG 39 Ca -0.08 0.49 -0.17 0.00 -0.77 0.00 0.00 57.85 57.32 1xxh n ARG 39 Cb 0.26 -1.58 -0.14 0.00 -1.02 0.00 0.00 32.46 29.98 1xxh n ARG 39 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1xxh h GLN 40 N 0.00 0.25 0.00 5.56 -0.00 -1.43 -2.26 115.11 117.23 1xxh h GLN 40 Ca 0.00 -0.43 -0.09 0.00 -0.00 0.00 0.00 58.65 58.13 1xxh h GLN 40 Cb 0.05 0.16 -0.01 0.00 0.00 0.00 0.00 27.48 27.68 1xxh h GLN 40 CO 0.00 1.11 -0.61 0.28 0.00 0.00 0.00 178.83 179.61 1xxh h VAL 41 N 0.07 0.55 0.04 2.39 2.07 -0.92 -3.23 116.25 117.21 1xxh h VAL 41 Ca -0.26 -1.83 -0.00 0.00 0.82 0.00 0.00 66.70 65.43 1xxh h VAL 41 Cb 2.02 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.98 1xxh h VAL 41 CO 0.16 0.32 -0.02 0.00 0.02 0.00 0.00 177.57 178.04 1xxh h ALA 42 N 1.63 -0.05 -0.46 1.67 0.00 -1.24 -3.25 119.26 117.55 1xxh h ALA 42 Ca -0.03 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.92 1xxh h ALA 42 Cb 1.31 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1xxh h ALA 42 CO 0.04 -0.05 0.59 0.00 0.00 0.00 0.00 179.25 179.83 1xxh h ALA 43 N -0.84 2.17 0.00 0.00 0.00 -1.55 1.49 119.26 120.53 1xxh h ALA 43 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xxh h ALA 43 Cb 0.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1xxh h ALA 43 CO 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 179.25 178.43 1xxh h ALA 44 N 1.26 1.00 0.00 0.00 0.00 -1.62 -3.33 119.26 116.58 1xxh h ALA 44 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1xxh h ALA 44 Cb 1.39 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1xxh h ALA 44 CO -0.00 0.00 -0.55 0.37 0.00 0.00 0.00 179.25 179.07 1xxh h GLN 45 N 0.00 0.00 0.00 0.00 -0.00 0.21 -3.49 115.11 111.83 1xxh h GLN 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1xxh h GLN 45 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.24 1xxh h GLN 45 CO 0.00 0.15 0.00 0.41 0.00 0.00 0.00 178.83 179.39 1xxh n GLY 46 N 1.61 0.00 3.50 2.39 0.00 -0.93 -5.07 105.19 106.69 1xxh n GLY 46 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1xxh n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xxh s PHE 47 N 0.00 3.17 0.02 1.61 0.40 -1.22 -3.97 117.98 118.00 1xxh s PHE 47 Ca 0.00 -1.80 -0.26 0.00 -0.60 0.00 0.00 56.93 54.27 1xxh s PHE 47 Cb 0.00 -4.47 -0.17 0.00 0.51 0.00 0.00 43.02 38.90 1xxh s PHE 47 CO 0.00 -1.57 1.31 1.05 0.70 0.00 0.00 175.22 176.71 1xxh h GLU 48 N 7.70 -0.52 -6.79 0.44 4.11 -1.88 -3.41 114.58 114.23 1xxh h GLU 48 Ca 0.32 0.04 -0.51 0.00 0.07 0.00 0.00 59.36 59.28 1xxh h GLU 48 Cb 0.90 0.12 0.03 0.00 0.50 0.00 0.00 28.75 30.30 1xxh h GLU 48 CO 1.30 -0.22 0.55 -1.21 0.07 0.00 0.00 179.01 179.50 1xxh s GLU 49 N -4.98 4.51 -0.03 1.06 0.41 -1.26 -5.03 118.70 113.38 1xxh s GLU 49 Ca -0.15 1.96 0.01 0.00 -0.41 0.00 0.00 54.97 56.38 1xxh s GLU 49 Cb 0.02 -3.16 0.02 0.00 -1.78 0.00 0.00 34.13 29.23 1xxh s GLU 49 CO 0.55 0.01 -0.04 -1.01 -0.49 0.00 0.00 175.26 174.28 1xxh s HIS 50 N -0.87 0.59 0.05 1.61 3.76 -1.26 -2.85 115.29 116.31 1xxh s HIS 50 Ca 0.48 -0.13 0.05 0.00 -0.15 0.00 0.00 55.06 55.31 1xxh s HIS 50 Cb -0.35 -0.53 -0.02 0.00 1.11 0.00 0.00 32.58 32.79 1xxh s HIS 50 CO 0.44 -0.13 -0.14 -1.01 -0.85 0.00 0.00 174.74 173.04 1xxh s HIS 51 N 0.71 1.25 0.04 1.40 3.76 -0.49 -5.01 115.29 116.96 1xxh s HIS 51 Ca -0.09 -0.39 0.02 0.00 -0.15 0.00 0.00 55.06 54.45 1xxh s HIS 51 Cb -0.12 -0.73 -0.02 0.00 1.11 0.00 0.00 32.58 32.82 1xxh s HIS 51 CO -0.00 0.05 -0.07 0.99 -0.85 0.00 0.00 174.74 174.85 1xxh s THR 52 N -1.00 0.48 0.17 1.30 2.01 -1.26 0.16 115.64 117.50 1xxh s THR 52 Ca 0.01 -1.06 0.07 0.00 0.31 0.00 0.00 61.69 61.01 1xxh s THR 52 Cb -0.09 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1xxh s THR 52 CO 0.02 -0.40 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.05 1xxh s PHE 53 N -1.41 1.56 -0.98 4.92 0.40 -0.18 -4.90 117.98 117.39 1xxh s PHE 53 Ca -0.11 -0.61 -0.05 0.00 -0.60 0.00 0.00 56.93 55.57 1xxh s PHE 53 Cb -0.10 -0.76 0.24 0.00 0.51 0.00 0.00 43.02 42.92 1xxh s PHE 53 CO 0.00 0.25 0.91 -1.54 0.70 0.00 0.00 175.22 175.54 1xxh s SER 54 N -3.07 6.56 0.00 1.36 1.04 -1.26 -3.64 113.70 114.69 1xxh s SER 54 Ca 0.18 -3.61 0.00 0.00 0.48 0.00 0.00 55.95 53.00 1xxh s SER 54 Cb -0.01 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 64.07 1xxh s SER 54 CO 0.05 -0.24 0.48 -0.38 0.98 0.00 0.00 173.24 174.13 1xxh n ILE 55 N 2.57 0.02 -0.06 -1.02 5.41 -1.21 -3.73 119.36 121.33 1xxh n ILE 55 Ca 0.22 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.84 1xxh n ILE 55 Cb 0.38 -0.48 -0.14 0.00 -0.71 0.00 0.00 39.64 38.68 1xxh n ILE 55 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1xxh n ASP 56 N 0.04 1.02 0.04 4.38 8.00 -1.26 -4.41 116.55 124.35 1xxh n ASP 56 Ca 0.00 0.13 -0.07 0.00 0.71 0.00 0.00 54.79 55.56 1xxh n ASP 56 Cb 0.24 0.08 0.09 0.00 -0.02 0.00 0.00 41.12 41.51 1xxh n ASP 56 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1xxh h PRO 57 N 0.01 0.43 0.00 -0.24 0.11 -1.99 -3.45 132.00 126.87 1xxh h PRO 57 Ca -0.45 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.39 1xxh h PRO 57 Cb 2.07 0.03 0.00 0.00 0.11 0.00 0.00 31.00 33.22 1xxh h PRO 57 CO 0.03 0.87 0.00 0.09 -0.21 0.00 0.00 178.00 178.78 1xxh n ASN 58 N -3.94 -0.06 -4.59 -2.05 3.02 -1.26 -4.88 115.26 101.50 1xxh n ASN 58 Ca -0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.10 1xxh n ASN 58 Cb 0.60 -1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.28 1xxh n ASN 58 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xxh s THR 59 N -2.25 3.32 0.00 3.41 2.01 -1.26 -4.33 115.64 116.55 1xxh s THR 59 Ca 0.00 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.32 1xxh s THR 59 Cb 0.00 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1xxh s THR 59 CO 0.00 -0.32 0.00 0.47 -0.69 0.00 0.00 174.62 174.08 1xxh n ASP 60 N 11.10 -1.84 0.20 3.53 9.92 -1.26 -4.78 116.55 133.42 1xxh n ASP 60 Ca 0.25 0.00 0.14 0.00 -0.53 0.00 0.00 54.79 54.65 1xxh n ASP 60 Cb 0.47 -0.92 0.45 0.00 -0.64 0.00 0.00 41.12 40.48 1xxh n ASP 60 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 1xxh h TRP 61 N 0.00 0.00 0.00 1.24 6.55 -2.01 -1.35 115.95 120.38 1xxh h TRP 61 Ca 0.00 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 1xxh h TRP 61 Cb 0.00 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.30 1xxh h TRP 61 CO 0.00 0.00 -0.03 -0.97 -1.05 0.00 0.00 178.44 176.39 1xxh h ASN 62 N 0.00 0.00 0.33 -3.49 -1.24 -1.95 -0.12 115.58 109.11 1xxh h ASN 62 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.71 1xxh h ASN 62 Cb 0.66 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.73 1xxh h ASN 62 CO 0.00 0.03 -1.28 0.00 -1.29 0.00 0.00 177.43 174.89 1xxh h ALA 63 N 1.97 0.02 0.09 1.57 0.00 -1.54 -1.41 119.26 119.95 1xxh h ALA 63 Ca -0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 1xxh h ALA 63 Cb 0.20 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xxh h ALA 63 CO 0.00 0.78 -0.04 0.82 0.00 0.00 0.00 179.25 180.82 1xxh h ILE 64 N 0.18 1.12 -0.31 0.00 5.03 -1.22 -0.92 117.51 121.40 1xxh h ILE 64 Ca -0.18 -0.79 0.02 0.00 -0.12 0.00 0.00 64.86 63.79 1xxh h ILE 64 Cb 1.97 1.62 -0.03 0.00 -3.03 0.00 0.00 36.82 37.36 1xxh h ILE 64 CO 0.23 0.19 0.14 -0.26 -0.68 0.00 0.00 178.15 177.78 1xxh h PHE 65 N -0.48 0.26 -0.99 1.37 -1.00 -1.19 0.29 116.94 115.20 1xxh h PHE 65 Ca -0.01 0.01 0.17 0.00 2.81 0.00 0.00 57.97 60.95 1xxh h PHE 65 Cb 0.40 -0.07 -0.09 0.00 3.61 0.00 0.00 35.95 39.80 1xxh h PHE 65 CO 0.04 0.14 0.62 1.03 -1.61 0.00 0.00 178.31 178.53 1xxh h SER 66 N 0.30 0.80 0.62 2.17 0.87 -1.19 -0.96 113.55 116.17 1xxh h SER 66 Ca 0.13 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1xxh h SER 66 Cb 0.06 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1xxh h SER 66 CO -0.10 0.34 -0.30 0.25 -0.53 0.00 0.00 176.83 176.49 1xxh h LEU 67 N 0.82 -0.71 -0.96 2.23 5.85 0.25 -2.80 115.31 119.99 1xxh h LEU 67 Ca 0.54 0.02 0.40 0.00 0.84 0.00 0.00 57.88 59.68 1xxh h LEU 67 Cb 0.77 0.18 -0.17 0.00 0.37 0.00 0.00 40.66 41.82 1xxh h LEU 67 CO -0.32 -0.32 0.52 0.00 -0.34 0.00 0.00 178.44 177.98 1xxh h GLN 69 N 0.00 0.49 -1.94 0.00 4.20 -1.17 -1.33 115.11 115.35 1xxh h GLN 69 Ca 0.81 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 59.32 1xxh h GLN 69 Cb 2.15 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.90 1xxh h GLN 69 CO -0.72 0.72 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 1xxh n ALA 70 N -2.39 1.56 0.00 3.87 0.00 0.48 0.11 120.51 124.14 1xxh n ALA 70 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1xxh n ALA 70 Cb 0.31 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1xxh n ALA 70 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xxh n SER 72 N 1.03 0.00 -0.43 0.00 3.41 -0.50 -3.59 113.62 113.53 1xxh n SER 72 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1xxh n SER 72 Cb 0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 1xxh n SER 72 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xxh n LEU 73 N -0.12 1.89 -4.71 1.04 4.77 0.30 -4.89 117.00 115.28 1xxh n LEU 73 Ca 0.00 -0.73 -0.40 0.00 -0.03 0.00 0.00 56.01 54.85 1xxh n LEU 73 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1xxh n LEU 73 CO 0.00 0.36 0.45 0.12 -1.33 0.00 0.00 177.39 176.99 1xxh s PHE 74 N -2.53 3.59 -0.23 -1.77 5.36 -1.24 -4.99 117.98 116.18 1xxh s PHE 74 Ca 0.17 1.32 0.17 0.00 -0.96 0.00 0.00 56.93 57.63 1xxh s PHE 74 Cb 0.18 -2.86 0.15 0.00 -0.34 0.00 0.00 43.02 40.14 1xxh s PHE 74 CO 0.61 0.07 1.49 0.00 -1.46 0.00 0.00 175.22 175.92 1xxh h ALA 75 N 6.78 0.76 -4.66 11.12 0.00 -1.92 -3.48 119.26 127.86 1xxh h ALA 75 Ca -0.41 -0.34 -0.44 0.00 0.00 0.00 0.00 54.91 53.72 1xxh h ALA 75 Cb 1.20 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1xxh h ALA 75 CO 0.75 0.46 -0.34 -1.13 0.00 0.00 0.00 179.25 178.99 1xxh n SER 76 N -3.20 2.12 -4.68 0.00 3.41 -1.26 -5.08 113.62 104.93 1xxh n SER 76 Ca 0.02 -2.59 -0.63 0.00 -0.26 0.00 0.00 58.87 55.41 1xxh n SER 76 Cb 0.68 0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 65.03 1xxh n SER 76 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xxh n ARG 77 N -0.79 0.28 -0.06 4.33 1.74 -1.25 -4.90 116.66 116.00 1xxh n ARG 77 Ca -0.10 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1xxh n ARG 77 Cb 0.45 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1xxh n ARG 77 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xxh n GLN 78 N 3.66 0.00 0.00 5.56 10.64 -1.26 -2.96 117.38 133.02 1xxh n GLN 78 Ca 0.27 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.44 1xxh n GLN 78 Cb 0.02 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.40 1xxh n GLN 78 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1xxh n THR 79 N 0.00 0.00 -4.02 -0.39 5.66 -1.13 -3.40 114.28 110.99 1xxh n THR 79 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 1xxh n THR 79 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 1xxh n THR 79 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1xxh s LEU 80 N 0.00 3.98 -0.23 1.09 -0.00 -1.01 -1.39 118.68 121.12 1xxh s LEU 80 Ca 0.00 0.02 0.02 0.00 -0.00 0.00 0.00 54.13 54.17 1xxh s LEU 80 Cb 0.00 -2.61 0.05 0.00 -0.00 0.00 0.00 46.19 43.64 1xxh s LEU 80 CO 0.00 0.11 -0.10 -0.22 -0.00 0.00 0.00 176.35 176.15 1xxh s LEU 81 N -2.82 2.80 -0.11 1.48 2.96 0.42 -1.23 118.68 122.18 1xxh s LEU 81 Ca 0.32 -1.16 -0.20 0.00 -0.22 0.00 0.00 54.13 52.86 1xxh s LEU 81 Cb -0.11 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 1xxh s LEU 81 CO 0.25 -0.18 0.58 -0.76 -1.32 0.00 0.00 176.35 174.91 1xxh s LEU 82 N 1.28 4.28 -0.44 -0.68 1.02 0.89 -1.01 118.68 124.02 1xxh s LEU 82 Ca -0.05 0.96 -0.09 0.00 0.02 0.00 0.00 54.13 54.97 1xxh s LEU 82 Cb -0.18 -2.87 0.10 0.00 0.02 0.00 0.00 46.19 43.26 1xxh s LEU 82 CO -0.07 -0.07 0.29 -0.76 0.02 0.00 0.00 176.35 175.76 1xxh s LEU 83 N 0.83 5.38 0.60 1.79 1.43 -1.24 -1.52 118.68 125.95 1xxh s LEU 83 Ca 0.31 -1.72 -0.18 0.00 -1.03 0.00 0.00 54.13 51.51 1xxh s LEU 83 Cb -0.16 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 1xxh s LEU 83 CO 0.13 -0.60 1.19 -0.76 0.23 0.00 0.00 176.35 176.54 1xxh s LEU 84 N 1.37 3.62 1.03 1.79 1.02 -0.84 -3.29 118.68 123.38 1xxh s LEU 84 Ca 0.04 2.33 -0.14 0.00 0.02 0.00 0.00 54.13 56.39 1xxh s LEU 84 Cb -0.24 -4.59 0.12 0.00 0.02 0.00 0.00 46.19 41.49 1xxh s LEU 84 CO 0.00 -1.61 0.54 -2.65 0.02 0.00 0.00 176.35 172.66 1xxh n PRO 85 N -1.71 -1.04 0.19 1.29 -0.02 -1.26 -4.84 135.00 127.60 1xxh n PRO 85 Ca 0.13 -0.27 0.06 0.00 -2.02 0.00 0.00 63.50 61.41 1xxh n PRO 85 Cb 0.50 -1.97 0.30 0.00 -0.02 0.00 0.00 33.50 32.32 1xxh n PRO 85 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xxh h GLU 86 N -1.95 0.00 -0.01 -0.52 5.08 -1.98 -2.17 114.58 113.03 1xxh h GLU 86 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1xxh h GLU 86 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1xxh h GLU 86 CO 0.39 0.36 -0.07 0.09 -1.00 0.00 0.00 179.01 178.78 1xxh n ASN 87 N -3.44 1.05 0.00 1.42 3.02 -1.26 -4.89 115.26 111.16 1xxh n ASN 87 Ca 0.00 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 1xxh n ASN 87 Cb 0.54 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 1xxh n ASN 87 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xxh n GLY 88 N 1.20 -0.45 3.61 7.41 0.00 -0.82 -4.85 105.19 111.30 1xxh n GLY 88 Ca 0.17 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 1xxh n GLY 88 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xxh s PRO 89 N -1.73 3.38 0.00 1.61 0.02 -1.26 -4.39 135.00 132.64 1xxh s PRO 89 Ca 0.00 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.83 1xxh s PRO 89 Cb 0.00 -4.24 0.00 0.00 0.02 0.00 0.00 34.50 30.28 1xxh s PRO 89 CO 0.00 -1.80 0.00 0.27 -0.33 0.00 0.00 177.00 175.14 1xxh n ASN 90 N 10.37 -0.31 -0.22 2.53 0.23 -1.26 -4.81 115.26 121.80 1xxh n ASN 90 Ca 0.25 -0.58 -0.07 0.00 -0.53 0.00 0.00 54.58 53.65 1xxh n ASN 90 Cb 0.45 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.22 1xxh n ASN 90 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xxh h ALA 91 N -2.00 0.94 -0.40 -2.53 0.00 -2.01 -3.04 119.26 110.22 1xxh h ALA 91 Ca 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1xxh h ALA 91 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1xxh h ALA 91 CO 0.00 0.65 -0.14 0.00 0.00 0.00 0.00 179.25 179.77 1xxh h ALA 92 N 1.09 0.55 -0.46 0.00 0.00 -2.01 -3.22 119.26 115.22 1xxh h ALA 92 Ca 0.19 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1xxh h ALA 92 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1xxh h ALA 92 CO 0.02 0.46 0.06 0.82 0.00 0.00 0.00 179.25 180.61 1xxh h ILE 93 N 0.61 1.22 0.00 0.00 2.04 -1.90 -2.44 117.51 117.04 1xxh h ILE 93 Ca 0.10 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1xxh h ILE 93 Cb 0.68 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1xxh h ILE 93 CO 0.05 0.30 0.02 0.59 0.00 0.00 0.00 178.15 179.11 1xxh n ASN 94 N -4.26 0.00 -0.06 1.72 3.02 -1.15 -0.91 115.26 113.62 1xxh n ASN 94 Ca 0.03 0.21 -0.09 0.00 -0.03 0.00 0.00 54.58 54.70 1xxh n ASN 94 Cb 0.25 -0.21 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 1xxh n ASN 94 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xxh n GLU 95 N -1.18 0.27 0.23 3.52 1.02 -0.94 -3.77 120.64 119.79 1xxh n GLU 95 Ca 0.00 0.07 0.07 0.00 -0.02 0.00 0.00 57.16 57.28 1xxh n GLU 95 Cb 0.02 -1.16 0.55 0.00 -0.02 0.00 0.00 31.44 30.84 1xxh n GLU 95 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1xxh h GLN 96 N -0.09 0.00 0.20 3.49 5.75 -1.05 -1.52 115.11 121.90 1xxh h GLN 96 Ca -0.26 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 57.89 1xxh h GLN 96 Cb 1.36 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.92 1xxh h GLN 96 CO -0.07 0.16 -1.70 -0.07 -2.65 0.00 0.00 178.83 174.50 1xxh h LEU 97 N 0.00 0.67 -0.70 -2.39 4.07 -1.26 -3.22 115.31 112.47 1xxh h LEU 97 Ca -0.00 -0.93 0.06 0.00 0.08 0.00 0.00 57.88 57.08 1xxh h LEU 97 Cb 0.30 -0.22 -0.05 0.00 1.08 0.00 0.00 40.66 41.76 1xxh h LEU 97 CO 0.02 1.77 0.41 0.25 -1.08 0.00 0.00 178.44 179.81 1xxh h LEU 98 N 0.12 0.62 -2.38 1.67 7.12 -1.58 0.36 115.31 121.25 1xxh h LEU 98 Ca -0.33 0.02 0.02 0.00 0.13 0.00 0.00 57.88 57.73 1xxh h LEU 98 Cb 2.12 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 42.14 1xxh h LEU 98 CO 0.20 0.40 0.07 0.74 -0.13 0.00 0.00 178.44 179.73 1xxh h THR 99 N 0.75 0.50 0.00 1.05 2.02 -1.38 -0.10 112.91 115.75 1xxh h THR 99 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1xxh h THR 99 Cb 0.16 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1xxh h THR 99 CO -0.17 0.00 -0.69 0.25 0.37 0.00 0.00 175.52 175.28 1xxh h LEU 100 N 0.00 0.00 -0.35 2.58 6.46 -0.35 -3.33 115.31 120.33 1xxh h LEU 100 Ca 0.03 -0.12 -0.14 0.00 -0.12 0.00 0.00 57.88 57.53 1xxh h LEU 100 Cb 0.18 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 1xxh h LEU 100 CO -0.00 0.06 -0.68 0.00 -0.62 0.00 0.00 178.44 177.20 1xxh h THR 101 N 0.00 1.31 -0.11 1.05 1.03 0.32 -2.81 112.91 113.70 1xxh h THR 101 Ca 0.00 -2.51 0.00 0.00 -0.01 0.00 0.00 66.41 63.89 1xxh h THR 101 Cb 0.85 2.42 0.00 0.00 -1.07 0.00 0.00 68.15 70.36 1xxh h THR 101 CO 0.00 0.67 0.00 0.61 -0.01 0.00 0.00 175.52 176.79 1xxh n GLY 102 N 0.87 -0.48 0.54 2.99 0.00 -1.17 -2.98 105.19 104.96 1xxh n GLY 102 Ca 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.95 1xxh n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xxh n LEU 103 N -0.20 3.07 -4.73 0.99 4.32 -1.06 -5.03 117.00 114.37 1xxh n LEU 103 Ca 0.05 -2.63 -0.41 0.00 -0.02 0.00 0.00 56.01 53.00 1xxh n LEU 103 Cb 0.10 -0.37 -0.04 0.00 -1.62 0.00 0.00 43.42 41.50 1xxh n LEU 103 CO 0.04 0.67 0.76 -0.76 -1.22 0.00 0.00 177.39 176.88 1xxh s LEU 104 N -2.11 4.46 -0.04 2.23 1.43 -1.16 -4.98 118.68 118.50 1xxh s LEU 104 Ca 0.29 1.95 -0.26 0.00 -1.03 0.00 0.00 54.13 55.08 1xxh s LEU 104 Cb 0.23 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.91 1xxh s LEU 104 CO 0.08 -0.23 0.57 -1.38 0.23 0.00 0.00 176.35 175.62 1xxh s HIS 105 N 0.21 -0.52 0.57 0.29 -3.43 -1.26 -5.03 115.29 106.12 1xxh s HIS 105 Ca 0.51 0.88 0.11 0.00 -0.80 0.00 0.00 55.06 55.76 1xxh s HIS 105 Cb -0.27 0.31 0.62 0.00 -1.43 0.00 0.00 32.58 31.81 1xxh s HIS 105 CO 0.32 -0.54 1.31 -0.44 -2.00 0.00 0.00 174.74 173.39 1xxh h ASP 106 N 3.31 0.00 -2.27 7.38 3.32 -1.99 -2.65 116.42 123.52 1xxh h ASP 106 Ca -0.28 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.08 1xxh h ASP 106 Cb 1.15 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.35 1xxh h ASP 106 CO 0.39 0.00 0.14 0.47 -1.72 0.00 0.00 179.24 178.52 1xxh n ASP 107 N -2.51 5.83 0.00 6.45 8.00 -1.26 -4.83 116.55 128.23 1xxh n ASP 107 Ca -0.01 -3.69 0.00 0.00 0.71 0.00 0.00 54.79 51.80 1xxh n ASP 107 Cb 0.70 -0.84 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1xxh n ASP 107 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1xxh n LEU 108 N -0.15 0.00 -4.59 0.64 7.94 -1.00 -4.62 117.00 115.22 1xxh n LEU 108 Ca 0.38 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.90 1xxh n LEU 108 Cb 0.33 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.17 1xxh n LEU 108 CO 0.42 0.00 -0.15 -0.22 -1.11 0.00 0.00 177.39 176.33 1xxh s LEU 109 N 0.00 4.03 0.11 -1.96 0.20 -1.22 -4.58 118.68 115.26 1xxh s LEU 109 Ca 0.00 0.01 -0.17 0.00 0.69 0.00 0.00 54.13 54.66 1xxh s LEU 109 Cb 0.00 -2.14 -0.07 0.00 -0.43 0.00 0.00 46.19 43.55 1xxh s LEU 109 CO 0.00 -0.06 0.57 -0.22 -0.29 0.00 0.00 176.35 176.34 1xxh s LEU 110 N 1.78 4.43 -0.20 -0.68 2.96 -1.09 -2.42 118.68 123.46 1xxh s LEU 110 Ca 0.08 1.18 -0.04 0.00 -0.22 0.00 0.00 54.13 55.13 1xxh s LEU 110 Cb -0.16 -3.10 0.07 0.00 0.50 0.00 0.00 46.19 43.50 1xxh s LEU 110 CO 0.11 0.18 0.08 -0.63 -1.32 0.00 0.00 176.35 174.77 1xxh s ILE 111 N -1.30 0.17 -0.12 6.68 1.01 -0.37 -1.01 121.20 126.28 1xxh s ILE 111 Ca 0.34 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 1xxh s ILE 111 Cb -0.17 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 1xxh s ILE 111 CO 0.19 -0.32 -0.10 -0.69 0.00 0.00 0.00 174.94 174.02 1xxh s VAL 112 N 2.01 3.40 0.01 2.92 1.01 -0.14 -0.08 120.40 129.53 1xxh s VAL 112 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1xxh s VAL 112 Cb -0.16 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1xxh s VAL 112 CO -0.12 0.53 -0.02 0.00 0.00 0.00 0.00 175.10 175.49 1xxh s ARG 113 N 0.05 0.20 0.00 2.72 1.70 -0.58 0.26 118.95 123.30 1xxh s ARG 113 Ca -0.03 -0.33 0.00 0.00 -0.47 0.00 0.00 55.73 54.90 1xxh s ARG 113 Cb -0.14 0.00 0.00 0.00 -0.57 0.00 0.00 34.95 34.24 1xxh s ARG 113 CO 0.04 -0.01 0.00 0.41 -1.08 0.00 0.00 175.30 174.66 1xxh n GLY 114 N 2.31 -1.63 3.77 3.88 0.00 0.05 -1.98 105.19 111.58 1xxh n GLY 114 Ca -0.18 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 1xxh n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxh s ASN 115 N -0.13 5.47 0.52 1.61 2.20 -1.15 -0.68 114.94 122.78 1xxh s ASN 115 Ca 0.00 2.23 -0.18 0.00 -0.94 0.00 0.00 52.86 53.97 1xxh s ASN 115 Cb 0.00 -2.58 -0.14 0.00 -2.00 0.00 0.00 41.25 36.53 1xxh s ASN 115 CO 0.00 -1.39 -0.03 2.29 -2.94 0.00 0.00 177.10 175.03 1xxh n LYS 116 N -1.52 0.08 -3.88 3.55 2.85 -1.25 -4.47 118.16 113.52 1xxh n LYS 116 Ca 0.12 0.03 -0.34 0.00 -1.05 0.00 0.00 58.31 57.07 1xxh n LYS 116 Cb 0.51 -1.11 -0.05 0.00 -0.65 0.00 0.00 35.03 33.73 1xxh n LYS 116 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1xxh s LEU 117 N 4.38 4.38 0.00 -5.58 1.43 -1.26 -4.93 118.68 117.10 1xxh s LEU 117 Ca 0.59 0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 53.90 1xxh s LEU 117 Cb -0.49 -2.49 0.28 0.00 0.03 0.00 0.00 46.19 43.53 1xxh s LEU 117 CO 0.64 0.30 1.15 -1.54 0.23 0.00 0.00 176.35 177.14 1xxh n SER 118 N 1.23 -1.48 0.25 2.29 3.41 -1.26 -4.85 113.62 113.20 1xxh n SER 118 Ca -0.13 -1.25 0.11 0.00 -0.26 0.00 0.00 58.87 57.33 1xxh n SER 118 Cb 0.53 -1.00 0.64 0.00 -0.26 0.00 0.00 64.21 64.11 1xxh n SER 118 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1xxh h LYS 119 N 0.00 0.00 0.18 4.33 -0.00 -1.99 -2.98 116.57 116.12 1xxh h LYS 119 Ca -0.41 0.00 -0.28 0.00 -0.00 0.00 0.00 60.65 59.96 1xxh h LYS 119 Cb 1.23 0.00 0.02 0.00 -0.00 0.00 0.00 32.23 33.48 1xxh h LYS 119 CO 0.28 0.17 -1.29 0.00 -0.00 0.00 0.00 179.45 178.61 1xxh h ALA 120 N 1.83 -0.03 0.00 0.07 0.00 -2.03 -3.31 119.26 115.80 1xxh h ALA 120 Ca -0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1xxh h ALA 120 Cb 0.43 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1xxh h ALA 120 CO 0.02 0.66 0.00 1.04 0.00 0.00 0.00 179.25 180.97 1xxh n GLN 121 N -3.88 0.04 -0.15 0.00 6.02 -1.17 -2.69 117.38 115.55 1xxh n GLN 121 Ca -0.19 0.31 0.11 0.00 -0.01 0.00 0.00 57.00 57.23 1xxh n GLN 121 Cb 0.97 -1.57 0.26 0.00 1.02 0.00 0.00 30.24 30.92 1xxh n GLN 121 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1xxh n GLU 122 N -1.64 2.24 -0.08 -1.09 1.02 -1.13 -4.02 120.64 115.93 1xxh n GLU 122 Ca 0.03 -1.87 -0.09 0.00 -0.02 0.00 0.00 57.16 55.21 1xxh n GLU 122 Cb 0.16 -1.47 -0.12 0.00 -0.02 0.00 0.00 31.44 29.99 1xxh n GLU 122 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xxh n ASN 123 N 1.09 1.37 -3.02 1.62 3.02 -1.10 -4.51 115.26 113.74 1xxh n ASN 123 Ca 0.18 -0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.31 1xxh n ASN 123 Cb 0.51 0.64 -0.05 0.00 -0.61 0.00 0.00 39.78 40.27 1xxh n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xxh n ALA 124 N -2.69 -2.56 -0.31 5.41 0.00 -1.24 -4.36 120.51 114.77 1xxh n ALA 124 Ca -0.28 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.55 1xxh n ALA 124 Cb 0.99 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 19.28 1xxh n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xxh n ALA 125 N 1.06 -0.12 -0.33 0.00 0.00 -1.26 -0.07 120.51 119.79 1xxh n ALA 125 Ca 0.14 0.78 0.14 0.00 0.00 0.00 0.00 53.44 54.49 1xxh n ALA 125 Cb 0.05 -0.34 0.36 0.00 0.00 0.00 0.00 19.45 19.52 1xxh n ALA 125 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1xxh h TRP 126 N 0.00 0.96 0.18 0.00 5.08 -1.87 -2.47 115.95 117.83 1xxh h TRP 126 Ca 0.27 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 60.26 1xxh h TRP 126 Cb 0.46 -0.29 0.00 0.00 -3.00 0.00 0.00 29.16 26.33 1xxh h TRP 126 CO -0.70 0.24 -0.09 0.35 -1.28 0.00 0.00 178.44 176.97 1xxh h PHE 127 N 0.71 -0.23 0.00 0.12 3.04 -0.78 -3.25 116.94 116.56 1xxh h PHE 127 Ca 0.54 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.49 1xxh h PHE 127 Cb 0.91 0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.50 1xxh h PHE 127 CO -0.00 -0.14 0.50 1.79 -2.02 0.00 0.00 178.31 178.43 1xxh h THR 128 N -0.44 0.00 0.20 4.41 1.35 -1.46 0.30 112.91 117.27 1xxh h THR 128 Ca -0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.83 1xxh h THR 128 Cb 0.19 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1xxh h THR 128 CO 0.04 0.00 -0.10 0.00 -0.25 0.00 0.00 175.52 175.22 1xxh h ALA 129 N 0.91 -0.27 0.00 6.62 0.00 -1.47 -2.71 119.26 122.34 1xxh h ALA 129 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xxh h ALA 129 Cb 1.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xxh h ALA 129 CO 0.00 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.09 1xxh n LEU 130 N -5.03 0.00 -2.47 0.00 4.77 0.07 -4.30 117.00 110.05 1xxh n LEU 130 Ca -0.09 0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1xxh n LEU 130 Cb 0.25 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1xxh n LEU 130 CO 0.30 -0.09 0.74 0.00 -1.33 0.00 0.00 177.39 177.01 1xxh n ALA 131 N -1.18 1.88 0.00 -1.18 0.00 -1.02 -2.00 120.51 117.02 1xxh n ALA 131 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1xxh n ALA 131 Cb 0.09 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.25 1xxh n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xxh n ASN 132 N 3.07 0.00 0.12 0.00 5.15 -1.26 -4.98 115.26 117.36 1xxh n ASN 132 Ca 0.07 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.82 1xxh n ASN 132 Cb 0.14 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.23 1xxh n ASN 132 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1xxh h ARG 133 N 0.00 0.48 0.00 1.20 3.08 -1.72 -3.48 114.38 113.95 1xxh h ARG 133 Ca 0.00 -0.82 -0.26 0.00 0.07 0.00 0.00 59.98 58.97 1xxh h ARG 133 Cb 0.00 0.31 0.07 0.00 0.08 0.00 0.00 29.97 30.43 1xxh h ARG 133 CO 0.00 1.39 0.14 -1.13 -1.07 0.00 0.00 179.97 179.30 1xxh n SER 134 N -3.66 0.47 -3.91 7.04 3.41 -0.85 -2.78 113.62 113.34 1xxh n SER 134 Ca -0.19 -1.49 -0.11 0.00 -0.26 0.00 0.00 58.87 56.82 1xxh n SER 134 Cb 1.09 -0.46 -0.11 0.00 -0.26 0.00 0.00 64.21 64.47 1xxh n SER 134 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xxh s VAL 135 N -2.08 0.07 -0.16 -3.33 1.01 -0.75 -3.46 120.40 111.69 1xxh s VAL 135 Ca 0.40 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1xxh s VAL 135 Cb -0.02 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.12 1xxh s VAL 135 CO 0.27 -0.30 -0.20 -1.58 0.00 0.00 0.00 175.10 173.29 1xxh s GLN 136 N -0.94 2.92 -0.26 2.72 0.74 -0.12 -1.12 119.66 123.60 1xxh s GLN 136 Ca -0.10 -0.81 -0.08 0.00 0.05 0.00 0.00 55.36 54.42 1xxh s GLN 136 Cb -0.06 -2.47 -0.03 0.00 1.10 0.00 0.00 33.01 31.55 1xxh s GLN 136 CO 0.00 -0.15 0.11 0.08 -0.55 0.00 0.00 175.29 174.78 1xxh s VAL 137 N 1.16 4.60 -0.65 1.34 1.01 -0.85 0.27 120.40 127.27 1xxh s VAL 137 Ca 0.01 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.63 1xxh s VAL 137 Cb -0.14 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 33.10 1xxh s VAL 137 CO -0.09 0.30 1.19 -0.89 0.00 0.00 0.00 175.10 175.61 1xxh s THR 138 N 1.65 3.94 -1.05 3.92 2.01 -0.22 -2.71 115.64 123.19 1xxh s THR 138 Ca 0.06 0.57 -0.03 0.00 0.31 0.00 0.00 61.69 62.60 1xxh s THR 138 Cb -0.15 -4.79 0.31 0.00 0.01 0.00 0.00 72.50 67.88 1xxh s THR 138 CO 0.06 -1.55 1.60 0.00 -0.69 0.00 0.00 174.62 174.04 1xxh s GLN 140 N -3.41 3.14 -0.01 0.00 -1.52 -1.26 -0.51 119.66 116.09 1xxh s GLN 140 Ca 0.34 -0.38 -0.30 0.00 -1.95 0.00 0.00 55.36 53.08 1xxh s GLN 140 Cb 0.11 -2.87 -0.07 0.00 -0.22 0.00 0.00 33.01 29.95 1xxh s GLN 140 CO 0.01 0.66 1.79 0.99 -0.25 0.00 0.00 175.29 178.48 1xxh s THR 141 N -0.75 3.30 0.30 -0.19 2.01 -1.26 -4.81 115.64 114.24 1xxh s THR 141 Ca 0.12 0.40 -0.28 0.00 0.31 0.00 0.00 61.69 62.24 1xxh s THR 141 Cb -0.12 -3.26 -0.14 0.00 0.01 0.00 0.00 72.50 69.00 1xxh s THR 141 CO 0.02 -0.03 1.08 -0.81 -0.69 0.00 0.00 174.62 174.19 1xxh n PRO 142 N 7.17 1.55 -0.08 4.92 -0.04 -1.26 -4.99 135.00 142.27 1xxh n PRO 142 Ca 0.18 0.54 -0.09 0.00 -0.04 0.00 0.00 63.50 64.10 1xxh n PRO 142 Cb 0.42 -1.97 0.09 0.00 -0.04 0.00 0.00 33.50 32.00 1xxh n PRO 142 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xxh n GLU 143 N 0.67 -2.77 -0.05 0.54 -0.58 -1.26 -4.46 120.64 112.72 1xxh n GLU 143 Ca 0.08 -0.44 -0.06 0.00 -0.42 0.00 0.00 57.16 56.33 1xxh n GLU 143 Cb 0.33 -0.56 0.14 0.00 -0.57 0.00 0.00 31.44 30.78 1xxh n GLU 143 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1xxh h GLN 144 N 0.00 0.67 -0.07 3.49 -0.00 -2.00 -0.82 115.11 116.38 1xxh h GLN 144 Ca -0.12 -0.25 -0.01 0.00 -0.00 0.00 0.00 58.65 58.27 1xxh h GLN 144 Cb 0.39 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.83 1xxh h GLN 144 CO 0.07 0.83 -0.00 0.00 0.00 0.00 0.00 178.83 179.73 1xxh h ALA 145 N 1.18 0.09 -0.00 3.38 0.00 -1.96 -3.24 119.26 118.70 1xxh h ALA 145 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xxh h ALA 145 Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xxh h ALA 145 CO 0.05 -0.23 -0.22 1.04 0.00 0.00 0.00 179.25 179.89 1xxh n GLN 146 N -4.86 0.34 -0.37 0.00 1.13 -1.21 -3.95 117.38 108.47 1xxh n GLN 146 Ca -0.07 -0.14 0.05 0.00 -1.94 0.00 0.00 57.00 54.90 1xxh n GLN 146 Cb 0.19 -1.50 0.21 0.00 0.11 0.00 0.00 30.24 29.25 1xxh n GLN 146 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1xxh h LEU 147 N 0.33 0.98 -0.54 1.08 5.85 -1.17 0.59 115.31 122.43 1xxh h LEU 147 Ca 0.00 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.60 1xxh h LEU 147 Cb 0.45 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1xxh h LEU 147 CO 0.00 0.57 -0.69 -0.65 -0.34 0.00 0.00 178.44 177.33 1xxh h PRO 148 N 1.08 0.00 -0.22 5.25 0.11 -1.76 -3.01 132.00 133.46 1xxh h PRO 148 Ca 0.47 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.46 1xxh h PRO 148 Cb 0.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 1xxh h PRO 148 CO -0.22 0.69 -0.33 -0.09 -0.21 0.00 0.00 178.00 177.84 1xxh h ARG 149 N 0.00 0.61 -0.81 1.05 9.65 -1.15 -2.31 114.38 121.42 1xxh h ARG 149 Ca -0.01 -0.36 -0.03 0.00 -1.10 0.00 0.00 59.98 58.48 1xxh h ARG 149 Cb 1.27 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.84 1xxh h ARG 149 CO 0.09 0.97 0.40 2.35 2.80 0.00 0.00 179.97 186.58 1xxh h TRP 150 N 0.30 1.15 -0.04 2.20 7.01 0.06 -1.58 115.95 125.05 1xxh h TRP 150 Ca 0.02 -0.05 -0.14 0.00 2.11 0.00 0.00 58.89 60.84 1xxh h TRP 150 Cb 0.91 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 1xxh h TRP 150 CO 0.08 0.83 -0.59 0.28 -2.79 0.00 0.00 178.44 176.25 1xxh h VAL 151 N 1.14 1.40 -0.36 2.65 2.07 -1.55 0.31 116.25 121.91 1xxh h VAL 151 Ca 0.28 -1.98 -0.05 0.00 0.82 0.00 0.00 66.70 65.76 1xxh h VAL 151 Cb 0.10 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1xxh h VAL 151 CO -0.04 0.58 0.01 0.00 0.02 0.00 0.00 177.57 178.14 1xxh h ALA 152 N 1.28 0.48 -0.12 1.67 0.00 -1.01 -1.37 119.26 120.20 1xxh h ALA 152 Ca -0.01 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1xxh h ALA 152 Cb 1.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1xxh h ALA 152 CO 0.09 0.24 -0.43 0.00 0.00 0.00 0.00 179.25 179.14 1xxh h ALA 153 N 0.87 0.21 0.00 0.00 0.00 -1.13 -2.29 119.26 116.93 1xxh h ALA 153 Ca 0.10 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1xxh h ALA 153 Cb 0.44 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xxh h ALA 153 CO 0.02 0.34 -0.10 -0.09 0.00 0.00 0.00 179.25 179.42 1xxh h ARG 154 N 0.10 0.00 0.12 0.00 9.65 -0.36 -2.72 114.38 121.16 1xxh h ARG 154 Ca -0.02 0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 58.50 1xxh h ARG 154 Cb 1.06 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.63 1xxh h ARG 154 CO 0.09 0.10 -1.93 0.00 2.80 0.00 0.00 179.97 181.03 1xxh h ALA 155 N 1.90 0.43 -0.58 2.80 0.00 -1.26 -3.31 119.26 119.24 1xxh h ALA 155 Ca -0.00 -1.36 0.00 0.00 0.00 0.00 0.00 54.91 53.55 1xxh h ALA 155 Cb 0.37 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1xxh h ALA 155 CO 0.01 1.30 0.38 -0.22 0.00 0.00 0.00 179.25 180.72 1xxh h LYS 156 N 0.07 0.77 0.00 0.00 3.11 -1.27 0.12 116.57 119.37 1xxh h LYS 156 Ca -0.40 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.39 1xxh h LYS 156 Cb 2.04 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 33.10 1xxh h LYS 156 CO 0.10 0.52 0.00 0.00 -2.81 0.00 0.00 179.45 177.26 1xxh n GLN 157 N -4.44 0.32 -1.20 1.90 10.64 -1.04 -2.21 117.38 121.35 1xxh n GLN 157 Ca 0.06 0.02 -0.18 0.00 -1.83 0.00 0.00 57.00 55.07 1xxh n GLN 157 Cb 0.05 -1.50 0.14 0.00 -0.86 0.00 0.00 30.24 28.07 1xxh n GLN 157 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1xxh n LEU 158 N -1.33 5.50 -3.88 2.61 -0.00 0.39 -4.96 117.00 115.34 1xxh n LEU 158 Ca 0.12 -4.02 -0.32 0.00 -0.00 0.00 0.00 56.01 51.80 1xxh n LEU 158 Cb 0.25 -0.70 0.01 0.00 -0.00 0.00 0.00 43.42 42.98 1xxh n LEU 158 CO 0.23 1.41 -0.14 -0.46 -0.00 0.00 0.00 177.39 178.42 1xxh n ASN 159 N -1.02 -3.13 -4.10 1.96 0.23 -0.94 -4.97 115.26 103.29 1xxh n ASN 159 Ca 0.46 -0.92 -0.16 0.00 -0.53 0.00 0.00 54.58 53.43 1xxh n ASN 159 Cb 1.08 -1.17 -0.12 0.00 -2.08 0.00 0.00 39.78 37.49 1xxh n ASN 159 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1xxh s LEU 160 N -6.26 2.21 -0.85 -4.53 1.02 -0.99 -4.83 118.68 104.45 1xxh s LEU 160 Ca 0.28 -0.49 -0.07 0.00 0.02 0.00 0.00 54.13 53.87 1xxh s LEU 160 Cb -0.16 -0.36 0.22 0.00 0.02 0.00 0.00 46.19 45.90 1xxh s LEU 160 CO 0.71 -0.09 0.76 -1.61 0.02 0.00 0.00 176.35 176.14 1xxh s GLU 161 N -1.35 3.39 -0.21 1.70 2.02 0.19 -4.27 118.70 120.17 1xxh s GLU 161 Ca -0.04 -2.83 -0.22 0.00 0.02 0.00 0.00 54.97 51.90 1xxh s GLU 161 Cb -0.09 -4.17 -0.02 0.00 0.10 0.00 0.00 34.13 29.96 1xxh s GLU 161 CO 0.01 -1.25 0.70 -0.51 0.02 0.00 0.00 175.26 174.23 1xxh s LEU 162 N -0.55 4.13 0.25 1.80 1.43 -1.26 -0.42 118.68 124.06 1xxh s LEU 162 Ca 0.23 0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 53.94 1xxh s LEU 162 Cb -0.12 -3.00 -0.09 0.00 0.03 0.00 0.00 46.19 43.01 1xxh s LEU 162 CO -0.08 -0.35 1.16 -1.81 0.23 0.00 0.00 176.35 175.50 1xxh s ASP 163 N 1.25 7.15 0.47 2.29 1.11 -0.96 -4.85 116.67 123.13 1xxh s ASP 163 Ca 0.31 2.31 0.30 0.00 0.18 0.00 0.00 52.55 55.65 1xxh s ASP 163 Cb -0.16 -2.62 1.39 0.00 1.07 0.00 0.00 42.92 42.60 1xxh s ASP 163 CO 0.10 -0.27 1.73 0.44 1.18 0.00 0.00 175.17 178.36 1xxh h ASP 164 N 4.23 0.21 0.44 0.27 3.32 -1.96 0.39 116.42 123.32 1xxh h ASP 164 Ca -0.46 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 1xxh h ASP 164 Cb 1.21 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1xxh h ASP 164 CO 0.69 -0.01 -0.21 0.00 -1.72 0.00 0.00 179.24 177.99 1xxh h ALA 165 N 1.49 -0.59 -0.59 3.45 0.00 -1.97 -3.05 119.26 118.00 1xxh h ALA 165 Ca 0.67 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.61 1xxh h ALA 165 Cb 2.21 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 20.21 1xxh h ALA 165 CO -0.20 -0.55 0.51 0.00 0.00 0.00 0.00 179.25 179.01 1xxh h ALA 166 N -1.13 2.42 0.40 0.00 0.00 -1.27 -2.48 119.26 117.21 1xxh h ALA 166 Ca -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1xxh h ALA 166 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xxh h ALA 166 CO 0.10 -0.81 -0.19 -0.97 0.00 0.00 0.00 179.25 177.37 1xxh h ASN 167 N 0.00 -0.46 -0.30 0.00 -0.73 -0.30 -2.68 115.58 111.12 1xxh h ASN 167 Ca 0.28 0.02 0.09 0.00 1.87 0.00 0.00 56.30 58.55 1xxh h ASN 167 Cb 1.30 0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.99 1xxh h ASN 167 CO -0.00 -0.30 0.26 1.56 -0.37 0.00 0.00 177.43 178.58 1xxh h GLN 168 N -0.60 0.00 -0.46 6.67 4.20 -1.37 0.13 115.11 123.68 1xxh h GLN 168 Ca -0.06 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.69 1xxh h GLN 168 Cb 0.41 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 1xxh h GLN 168 CO 0.09 0.00 0.25 0.28 -0.67 0.00 0.00 178.83 178.78 1xxh h VAL 169 N 0.00 1.00 0.00 -0.54 2.07 -1.33 0.24 116.25 117.69 1xxh h VAL 169 Ca 0.14 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1xxh h VAL 169 Cb 0.66 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1xxh h VAL 169 CO -0.00 0.09 0.00 -0.07 0.02 0.00 0.00 177.57 177.61 1xxh h LEU 170 N 0.49 0.00 0.02 2.57 3.38 -0.46 -3.11 115.31 118.20 1xxh h LEU 170 Ca 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1xxh h LEU 170 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xxh h LEU 170 CO -0.12 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.29 1xxh n TYR 172 N -4.56 0.39 -4.22 0.00 4.01 0.61 -3.33 117.16 110.06 1xxh n TYR 172 Ca -0.10 0.14 -0.30 0.00 -0.16 0.00 0.00 57.90 57.47 1xxh n TYR 172 Cb 0.51 -0.72 -0.09 0.00 -0.31 0.00 0.00 39.34 38.72 1xxh n TYR 172 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xxh n TYR 174 N 0.79 -2.16 -2.41 0.00 4.02 -1.26 -4.71 117.16 111.43 1xxh n TYR 174 Ca -0.13 0.88 -0.42 0.00 -0.01 0.00 0.00 57.90 58.22 1xxh n TYR 174 Cb 0.52 -3.85 -0.02 0.00 -0.02 0.00 0.00 39.34 35.97 1xxh n TYR 174 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1xxh s GLU 175 N -6.61 3.47 0.00 -0.72 2.12 -1.21 -3.13 118.70 112.61 1xxh s GLU 175 Ca 0.59 0.65 0.00 0.00 0.36 0.00 0.00 54.97 56.57 1xxh s GLU 175 Cb -0.30 -4.05 0.00 0.00 0.26 0.00 0.00 34.13 30.04 1xxh s GLU 175 CO 0.85 -1.71 0.00 0.41 -0.54 0.00 0.00 175.26 174.26 1xxh n GLY 176 N 5.13 2.33 3.40 -1.50 0.00 -1.26 -5.02 105.19 108.27 1xxh n GLY 176 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 1xxh n GLY 176 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xxh s ASN 177 N -0.80 6.85 0.60 1.61 3.84 -1.18 -4.86 114.94 121.00 1xxh s ASN 177 Ca 0.00 -2.63 0.35 0.00 0.21 0.00 0.00 52.86 50.79 1xxh s ASN 177 Cb 0.00 -2.32 1.94 0.00 -0.55 0.00 0.00 41.25 40.32 1xxh s ASN 177 CO 0.00 -0.75 2.24 -0.07 -2.79 0.00 0.00 177.10 175.73 1xxh h LEU 178 N 8.98 0.00 -0.75 3.21 3.38 -1.96 -1.85 115.31 126.33 1xxh h LEU 178 Ca 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 1xxh h LEU 178 Cb 0.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1xxh h LEU 178 CO 1.01 0.03 -0.04 0.25 0.09 0.00 0.00 178.44 179.78 1xxh h LEU 179 N 0.00 0.90 -0.00 1.67 5.85 -1.96 -1.95 115.31 119.81 1xxh h LEU 179 Ca -0.00 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 1xxh h LEU 179 Cb 0.11 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1xxh h LEU 179 CO 0.00 0.98 -0.16 0.00 -0.34 0.00 0.00 178.44 178.92 1xxh h ALA 180 N 1.11 0.03 -0.95 1.25 0.00 -1.73 -0.22 119.26 118.75 1xxh h ALA 180 Ca 0.15 -0.44 0.23 0.00 0.00 0.00 0.00 54.91 54.85 1xxh h ALA 180 Cb 0.55 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1xxh h ALA 180 CO 0.03 0.02 0.63 -0.07 0.00 0.00 0.00 179.25 179.86 1xxh h LEU 181 N -0.58 0.39 0.01 0.00 3.38 -1.41 1.25 115.31 118.34 1xxh h LEU 181 Ca -0.02 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xxh h LEU 181 Cb 0.92 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1xxh h LEU 181 CO 0.03 0.13 -0.00 0.00 0.09 0.00 0.00 178.44 178.69 1xxh h ALA 182 N 1.60 -0.01 -0.46 1.53 0.00 -1.34 -2.07 119.26 118.52 1xxh h ALA 182 Ca 0.50 -0.43 0.12 0.00 0.00 0.00 0.00 54.91 55.11 1xxh h ALA 182 Cb 1.32 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1xxh h ALA 182 CO -0.20 -0.05 0.33 1.96 0.00 0.00 0.00 179.25 181.29 1xxh h GLN 183 N -0.91 0.07 0.00 0.00 1.08 0.74 0.11 115.11 116.21 1xxh h GLN 183 Ca -0.00 -0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.93 1xxh h GLN 183 Cb 0.86 -0.02 0.02 0.00 -0.05 0.00 0.00 27.48 28.29 1xxh h GLN 183 CO 0.00 0.05 -1.03 0.00 -0.95 0.00 0.00 178.83 176.89 1xxh h ALA 184 N 1.77 0.12 0.00 3.87 0.00 0.14 -2.98 119.26 122.18 1xxh h ALA 184 Ca 0.22 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1xxh h ALA 184 Cb 0.77 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1xxh h ALA 184 CO -0.02 0.67 -0.07 -0.07 0.00 0.00 0.00 179.25 179.76 1xxh h LEU 185 N 0.37 0.00 0.00 0.00 3.38 -0.06 -1.31 115.31 117.69 1xxh h LEU 185 Ca -0.13 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1xxh h LEU 185 Cb 1.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 1xxh h LEU 185 CO 0.20 0.07 -1.41 -1.84 0.09 0.00 0.00 178.44 175.56 1xxh n GLU 186 N -3.41 0.63 0.08 1.13 0.28 -0.75 -3.55 120.64 115.05 1xxh n GLU 186 Ca -0.02 0.04 0.02 0.00 -0.16 0.00 0.00 57.16 57.05 1xxh n GLU 186 Cb 0.22 -1.73 -0.03 0.00 1.43 0.00 0.00 31.44 31.34 1xxh n GLU 186 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xxh h ARG 187 N 0.00 0.00 -0.00 3.44 3.08 -1.32 -3.19 114.38 116.39 1xxh h ARG 187 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1xxh h ARG 187 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1xxh h ARG 187 CO 0.01 0.35 -0.08 -0.11 -1.07 0.00 0.00 179.97 179.07 1xxh n LEU 188 N -3.01 0.12 0.00 3.04 7.94 -0.52 -2.47 117.00 122.10 1xxh n LEU 188 Ca -0.04 0.34 0.11 0.00 -1.11 0.00 0.00 56.01 55.31 1xxh n LEU 188 Cb 0.77 -0.39 0.09 0.00 0.53 0.00 0.00 43.42 44.42 1xxh n LEU 188 CO 0.42 0.03 0.23 -0.24 -1.11 0.00 0.00 177.39 176.71 1xxh n SER 189 N -1.40 0.71 -0.05 1.96 2.88 -1.21 -3.26 113.62 113.26 1xxh n SER 189 Ca 0.09 -0.56 -0.01 0.00 -1.33 0.00 0.00 58.87 57.06 1xxh n SER 189 Cb 0.31 0.58 -0.15 0.00 -0.75 0.00 0.00 64.21 64.20 1xxh n SER 189 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1xxh n LEU 190 N -1.52 0.10 0.08 2.46 4.77 -1.03 -4.04 117.00 117.83 1xxh n LEU 190 Ca 0.05 0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.86 1xxh n LEU 190 Cb 0.34 0.26 -0.15 0.00 -2.33 0.00 0.00 43.42 41.54 1xxh n LEU 190 CO 0.38 0.27 -0.42 -0.07 -1.33 0.00 0.00 177.39 176.23 1xxh h LEU 191 N 0.00 0.57 -7.01 2.23 -0.00 -1.65 -3.41 115.31 106.04 1xxh h LEU 191 Ca -0.30 -0.79 -0.62 0.00 -0.00 0.00 0.00 57.88 56.18 1xxh h LEU 191 Cb 1.71 -0.19 -0.42 0.00 -0.00 0.00 0.00 40.66 41.77 1xxh h LEU 191 CO 0.02 1.66 -0.61 0.26 -0.00 0.00 0.00 178.44 179.76 1xxh s TRP 192 N -2.60 3.33 -0.52 1.13 0.51 -1.20 -4.91 118.94 114.68 1xxh s TRP 192 Ca -0.12 -3.24 0.04 0.00 -2.12 0.00 0.00 56.10 50.65 1xxh s TRP 192 Cb 0.06 -2.53 0.21 0.00 -0.81 0.00 0.00 33.47 30.40 1xxh s TRP 192 CO 0.87 -0.57 0.98 -2.30 -0.51 0.00 0.00 176.95 175.41 1xxh n PRO 193 N 2.04 0.03 -0.11 4.98 -0.02 -1.26 -1.75 135.00 138.92 1xxh n PRO 193 Ca 0.21 0.40 -0.05 0.00 -2.02 0.00 0.00 63.50 62.04 1xxh n PRO 193 Cb 0.36 -1.76 0.01 0.00 -0.02 0.00 0.00 33.50 32.09 1xxh n PRO 193 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xxh h ASP 194 N 0.00 -0.34 0.00 2.55 3.32 -1.91 -3.46 116.42 116.58 1xxh h ASP 194 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1xxh h ASP 194 Cb 0.36 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1xxh h ASP 194 CO 0.00 -0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.01 1xxh n GLY 195 N -1.29 3.28 3.55 2.75 0.00 -0.72 -5.00 105.19 107.77 1xxh n GLY 195 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1xxh n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxh s LYS 196 N -0.57 3.25 -0.85 1.61 1.02 -1.26 0.54 119.74 123.48 1xxh s LYS 196 Ca 0.00 -0.40 -0.17 0.00 0.02 0.00 0.00 55.97 55.42 1xxh s LYS 196 Cb 0.00 -4.36 0.15 0.00 -0.52 0.00 0.00 37.83 33.10 1xxh s LYS 196 CO 0.00 -2.15 0.96 -0.51 -0.92 0.00 0.00 175.35 172.73 1xxh s LEU 197 N 5.57 5.62 0.46 3.17 1.43 0.43 -4.95 118.68 130.41 1xxh s LEU 197 Ca 0.36 -2.15 -0.10 0.00 -1.03 0.00 0.00 54.13 51.21 1xxh s LEU 197 Cb -0.07 -2.33 -0.06 0.00 0.03 0.00 0.00 46.19 43.77 1xxh s LEU 197 CO 0.11 -0.92 0.83 -0.89 0.23 0.00 0.00 176.35 175.70 1xxh s THR 198 N 1.91 4.78 0.29 5.49 2.01 -1.26 -2.27 115.64 126.59 1xxh s THR 198 Ca 0.25 0.62 0.03 0.00 0.31 0.00 0.00 61.69 62.90 1xxh s THR 198 Cb -0.09 -3.78 0.28 0.00 0.01 0.00 0.00 72.50 68.92 1xxh s THR 198 CO -0.07 -0.69 1.73 0.25 -0.69 0.00 0.00 174.62 175.15 1xxh h LEU 199 N 0.80 0.47 -1.34 4.42 5.85 -1.94 0.27 115.31 123.84 1xxh h LEU 199 Ca -0.47 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 1xxh h LEU 199 Cb 1.19 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1xxh h LEU 199 CO 0.63 0.10 -0.24 -0.65 -0.34 0.00 0.00 178.44 177.93 1xxh h PRO 200 N 0.52 0.13 0.00 5.25 0.11 -1.99 -1.68 132.00 134.34 1xxh h PRO 200 Ca 0.55 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.60 1xxh h PRO 200 Cb 0.96 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1xxh h PRO 200 CO -0.46 0.37 -0.11 0.00 -0.21 0.00 0.00 178.00 177.59 1xxh h ARG 201 N 0.12 0.00 0.19 1.05 3.08 -1.49 -3.23 114.38 114.11 1xxh h ARG 201 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1xxh h ARG 201 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1xxh h ARG 201 CO 0.04 0.78 -0.29 0.28 -1.07 0.00 0.00 179.97 179.70 1xxh h VAL 202 N -1.00 0.00 -0.47 2.04 2.07 -1.04 -2.26 116.25 115.59 1xxh h VAL 202 Ca -0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1xxh h VAL 202 Cb 0.81 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.48 1xxh h VAL 202 CO -0.02 0.00 -0.27 -0.08 0.02 0.00 0.00 177.57 177.22 1xxh h GLU 203 N -0.50 -0.17 -0.30 1.57 4.81 -1.50 0.19 114.58 118.67 1xxh h GLU 203 Ca -0.02 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1xxh h GLU 203 Cb 0.46 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.80 1xxh h GLU 203 CO -0.09 -0.11 -0.27 0.37 -0.73 0.00 0.00 179.01 178.18 1xxh h GLN 204 N -0.17 -0.23 -0.81 1.92 5.75 -1.56 0.41 115.11 120.42 1xxh h GLN 204 Ca 0.21 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 1xxh h GLN 204 Cb 0.51 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.07 1xxh h GLN 204 CO -0.57 -0.16 0.52 0.00 -2.65 0.00 0.00 178.83 175.98 1xxh h ALA 205 N 0.81 1.39 0.34 3.38 0.00 -0.73 0.15 119.26 124.61 1xxh h ALA 205 Ca 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xxh h ALA 205 Cb 0.49 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xxh h ALA 205 CO -0.44 0.55 -0.17 0.28 0.00 0.00 0.00 179.25 179.47 1xxh h VAL 206 N 1.11 0.68 -0.39 0.00 2.07 0.15 -1.44 116.25 118.42 1xxh h VAL 206 Ca 0.30 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 1xxh h VAL 206 Cb -0.10 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1xxh h VAL 206 CO -0.06 0.05 0.01 0.78 0.02 0.00 0.00 177.57 178.37 1xxh h ASN 207 N -0.60 0.59 0.71 0.57 2.35 -0.07 -2.84 115.58 116.28 1xxh h ASN 207 Ca -0.05 -0.12 -0.13 0.00 -0.55 0.00 0.00 56.30 55.46 1xxh h ASN 207 Cb 0.44 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1xxh h ASN 207 CO 0.08 0.65 -0.60 0.44 -1.65 0.00 0.00 177.43 176.35 1xxh h ASP 208 N 0.59 0.00 0.63 5.81 3.32 -0.63 -2.51 116.42 123.63 1xxh h ASP 208 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1xxh h ASP 208 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1xxh h ASP 208 CO 0.01 0.60 0.00 0.00 -1.72 0.00 0.00 179.24 178.13 1xxh n ALA 209 N -2.39 2.18 -0.56 3.45 0.00 -0.55 -4.95 120.51 117.69 1xxh n ALA 209 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xxh n ALA 209 Cb 0.62 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1xxh n ALA 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xxh n ALA 210 N -1.38 -0.96 -3.36 0.00 0.00 -0.95 -4.95 120.51 108.92 1xxh n ALA 210 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.37 1xxh n ALA 210 Cb 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.61 1xxh n ALA 210 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1xxh s HIS 211 N 0.00 -0.39 0.51 0.00 -3.43 -1.26 -5.10 115.29 105.62 1xxh s HIS 211 Ca 0.00 -0.64 -0.20 0.00 -0.80 0.00 0.00 55.06 53.42 1xxh s HIS 211 Cb 0.00 -0.39 -0.07 0.00 -1.43 0.00 0.00 32.58 30.69 1xxh s HIS 211 CO 0.00 -0.97 1.06 -0.06 -2.00 0.00 0.00 174.74 172.77 1xxh s PHE 212 N 1.64 2.94 0.08 0.38 0.40 -1.26 -4.94 117.98 117.22 1xxh s PHE 212 Ca 0.15 1.56 -0.15 0.00 -0.60 0.00 0.00 56.93 57.90 1xxh s PHE 212 Cb -0.15 -3.10 -0.06 0.00 0.51 0.00 0.00 43.02 40.22 1xxh s PHE 212 CO -0.09 -0.99 0.49 0.99 0.70 0.00 0.00 175.22 176.32 1xxh s THR 213 N -2.01 4.91 -1.65 0.64 2.01 -1.26 -4.92 115.64 113.36 1xxh s THR 213 Ca 0.68 0.85 0.00 0.00 0.31 0.00 0.00 61.69 63.53 1xxh s THR 213 Cb -0.18 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1xxh s THR 213 CO 0.23 0.41 0.45 -0.81 -0.69 0.00 0.00 174.62 174.21 1xxh n PRO 214 N 1.28 0.55 -0.12 4.92 -0.04 -1.26 -1.88 135.00 138.45 1xxh n PRO 214 Ca -0.09 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.17 1xxh n PRO 214 Cb 0.52 -1.10 -0.12 0.00 -0.04 0.00 0.00 33.50 32.76 1xxh n PRO 214 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xxh n PHE 215 N -0.25 0.09 -0.30 0.54 -0.00 -1.26 -4.17 117.46 112.12 1xxh n PHE 215 Ca 0.00 0.02 0.07 0.00 -0.00 0.00 0.00 57.45 57.54 1xxh n PHE 215 Cb 0.05 -1.01 0.22 0.00 -0.00 0.00 0.00 39.48 38.74 1xxh n PHE 215 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1xxh h HIS 216 N -0.18 0.83 -0.85 -5.13 3.86 -1.74 1.25 115.15 113.18 1xxh h HIS 216 Ca -0.59 0.03 0.18 0.00 -1.16 0.00 0.00 60.37 58.83 1xxh h HIS 216 Cb 1.85 -0.24 -0.06 0.00 1.06 0.00 0.00 27.41 30.02 1xxh h HIS 216 CO 0.01 0.24 0.56 2.35 0.86 0.00 0.00 177.93 181.95 1xxh h TRP 217 N 0.69 0.58 0.13 2.45 7.01 -1.74 0.66 115.95 125.72 1xxh h TRP 217 Ca 0.46 0.02 -0.19 0.00 2.11 0.00 0.00 58.89 61.29 1xxh h TRP 217 Cb 0.60 -0.18 0.02 0.00 -2.10 0.00 0.00 29.16 27.50 1xxh h TRP 217 CO -0.07 0.19 -0.86 0.28 -2.79 0.00 0.00 178.44 175.18 1xxh h VAL 218 N 0.46 1.47 -0.56 2.65 2.07 0.10 -2.31 116.25 120.13 1xxh h VAL 218 Ca 0.44 -2.52 0.10 0.00 0.82 0.00 0.00 66.70 65.54 1xxh h VAL 218 Cb 0.99 3.15 -0.08 0.00 -1.52 0.00 0.00 31.29 33.82 1xxh h VAL 218 CO -0.17 0.71 0.11 0.44 0.02 0.00 0.00 177.57 178.68 1xxh h ASP 219 N -0.39 -0.02 0.81 0.57 3.32 0.23 0.38 116.42 121.31 1xxh h ASP 219 Ca -0.16 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1xxh h ASP 219 Cb 1.63 0.15 0.01 0.00 0.22 0.00 0.00 39.33 41.34 1xxh h ASP 219 CO 0.13 0.00 -0.39 0.00 -1.72 0.00 0.00 179.24 177.27 1xxh h ALA 220 N 1.45 -1.21 0.00 3.45 0.00 0.12 -2.20 119.26 120.87 1xxh h ALA 220 Ca 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xxh h ALA 220 Cb 0.42 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xxh h ALA 220 CO -0.39 -1.13 0.00 1.28 0.00 0.00 0.00 179.25 179.01 1xxh n LEU 221 N -5.11 0.00 0.08 0.00 4.77 -0.81 -0.66 117.00 115.28 1xxh n LEU 221 Ca -0.13 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 55.97 1xxh n LEU 221 Cb 0.43 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.82 1xxh n LEU 221 CO 0.32 0.00 0.65 0.18 -1.33 0.00 0.00 177.39 177.21 1xxh n LEU 222 N -0.76 0.75 0.00 2.23 4.77 0.06 -4.91 117.00 119.14 1xxh n LEU 222 Ca 0.00 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1xxh n LEU 222 Cb 0.00 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1xxh n LEU 222 CO 0.00 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 1xxh n GLY 224 N 1.33 2.77 3.74 -0.72 0.00 0.17 -4.51 105.19 107.96 1xxh n GLY 224 Ca 0.05 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 1xxh n GLY 224 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xxh s LYS 225 N -1.90 4.22 0.43 1.61 2.47 -1.26 -4.87 119.74 120.43 1xxh s LYS 225 Ca 0.00 2.39 0.30 0.00 -1.56 0.00 0.00 55.97 57.10 1xxh s LYS 225 Cb 0.00 -3.09 1.46 0.00 -1.46 0.00 0.00 37.83 34.74 1xxh s LYS 225 CO 0.00 -0.51 1.90 0.66 0.16 0.00 0.00 175.35 177.56 1xxh h SER 226 N 5.24 0.00 0.83 1.43 4.64 -1.91 -3.18 113.55 120.60 1xxh h SER 226 Ca -0.46 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 1xxh h SER 226 Cb 1.22 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1xxh h SER 226 CO 0.80 0.00 -0.40 0.50 -0.87 0.00 0.00 176.83 176.86 1xxh h LYS 227 N 0.00 -1.07 -0.00 4.77 3.64 -1.97 0.54 116.57 122.48 1xxh h LYS 227 Ca 0.00 0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1xxh h LYS 227 Cb 0.18 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1xxh h LYS 227 CO 0.00 -0.71 -0.29 0.07 -2.27 0.00 0.00 179.45 176.24 1xxh h ARG 228 N -1.12 0.00 0.49 1.90 0.11 -1.97 -1.68 114.38 112.12 1xxh h ARG 228 Ca -0.11 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.95 1xxh h ARG 228 Cb 0.85 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.93 1xxh h ARG 228 CO 0.19 0.29 -0.28 0.00 0.10 0.00 0.00 179.97 180.27 1xxh h ALA 229 N 1.71 -0.72 0.00 0.08 0.00 -1.44 0.40 119.26 119.29 1xxh h ALA 229 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xxh h ALA 229 Cb 0.52 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xxh h ALA 229 CO 0.04 -0.91 0.00 1.28 0.00 0.00 0.00 179.25 179.65 1xxh n LEU 230 N -5.41 0.00 -0.05 0.00 4.32 0.18 -0.46 117.00 115.57 1xxh n LEU 230 Ca -0.12 0.43 -0.19 0.00 -0.02 0.00 0.00 56.01 56.11 1xxh n LEU 230 Cb 0.31 -0.43 -0.13 0.00 -1.62 0.00 0.00 43.42 41.56 1xxh n LEU 230 CO 0.35 -0.25 -0.09 -0.74 -1.22 0.00 0.00 177.39 175.43 1xxh h HIS 231 N 0.00 0.14 0.35 -1.77 2.76 -0.18 -3.12 115.15 113.32 1xxh h HIS 231 Ca 0.00 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.05 1xxh h HIS 231 Cb 0.17 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 1xxh h HIS 231 CO 0.00 1.30 -0.19 0.82 -1.30 0.00 0.00 177.93 178.56 1xxh h ILE 232 N -0.80 0.61 -0.33 6.26 2.04 0.69 0.81 117.51 126.79 1xxh h ILE 232 Ca -0.18 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.72 1xxh h ILE 232 Cb 1.31 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.93 1xxh h ILE 232 CO -0.04 0.00 -0.50 0.25 0.00 0.00 0.00 178.15 177.86 1xxh h LEU 233 N -0.50 -1.65 -0.69 1.44 5.85 -0.93 1.54 115.31 120.36 1xxh h LEU 233 Ca -0.04 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1xxh h LEU 233 Cb 0.40 0.67 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1xxh h LEU 233 CO 0.06 -0.37 0.00 0.00 -0.34 0.00 0.00 178.44 177.79 1xxh n GLN 234 N -5.09 0.12 -0.01 1.25 6.02 -1.18 -1.36 117.38 117.14 1xxh n GLN 234 Ca -0.03 0.46 -0.11 0.00 -0.01 0.00 0.00 57.00 57.30 1xxh n GLN 234 Cb 0.31 -1.79 -0.14 0.00 1.02 0.00 0.00 30.24 29.64 1xxh n GLN 234 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1xxh h GLN 235 N 0.00 0.05 0.00 -1.09 1.08 0.22 -3.25 115.11 112.12 1xxh h GLN 235 Ca 0.00 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1xxh h GLN 235 Cb 0.21 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1xxh h GLN 235 CO 0.00 0.64 0.00 1.28 -0.95 0.00 0.00 178.83 179.80 1xxh n LEU 236 N -3.14 0.00 -1.73 1.46 4.77 0.48 -2.17 117.00 116.67 1xxh n LEU 236 Ca -0.19 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.61 1xxh n LEU 236 Cb 1.05 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 42.27 1xxh n LEU 236 CO 0.45 0.00 0.79 -1.14 -1.33 0.00 0.00 177.39 176.16 1xxh n ARG 237 N -0.72 2.48 0.00 3.23 0.63 -1.14 -3.52 116.66 117.62 1xxh n ARG 237 Ca 0.07 -3.43 0.00 0.00 -0.92 0.00 0.00 57.85 53.57 1xxh n ARG 237 Cb 0.03 -2.07 0.00 0.00 0.45 0.00 0.00 32.46 30.88 1xxh n ARG 237 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1xxh n LEU 238 N -0.99 0.00 -0.21 6.15 4.77 -0.92 -4.79 117.00 121.00 1xxh n LEU 238 Ca 0.45 -0.17 0.05 0.00 -0.03 0.00 0.00 56.01 56.31 1xxh n LEU 238 Cb 1.01 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1xxh n LEU 238 CO 0.41 0.23 0.21 -0.62 -1.33 0.00 0.00 177.39 176.29 1xxh n GLU 239 N 0.00 2.12 -1.99 3.23 1.02 -1.25 -5.00 120.64 118.77 1xxh n GLU 239 Ca 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 57.16 56.56 1xxh n GLU 239 Cb 0.40 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1xxh n GLU 239 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xxh n GLY 240 N 0.86 0.65 3.64 0.62 0.00 -1.26 -5.05 105.19 104.65 1xxh n GLY 240 Ca 0.04 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1xxh n GLY 240 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xxh s SER 241 N -2.85 6.18 0.83 1.61 0.01 -1.23 -5.07 113.70 113.18 1xxh s SER 241 Ca 0.00 0.20 -0.12 0.00 1.31 0.00 0.00 55.95 57.34 1xxh s SER 241 Cb 0.00 -2.15 0.10 0.00 0.21 0.00 0.00 66.02 64.18 1xxh s SER 241 CO 0.00 -0.02 1.17 -1.61 0.41 0.00 0.00 173.24 173.19 1xxh s GLU 242 N 1.36 1.55 -0.08 12.44 2.02 -1.26 -4.87 118.70 129.86 1xxh s GLU 242 Ca 0.11 1.60 -0.27 0.00 0.02 0.00 0.00 54.97 56.44 1xxh s GLU 242 Cb -0.14 -1.78 -0.24 0.00 0.10 0.00 0.00 34.13 32.06 1xxh s GLU 242 CO 0.07 -2.24 0.97 -1.00 0.02 0.00 0.00 175.26 173.08 1xxh h PRO 243 N -1.20 0.07 -0.69 0.39 0.13 -1.98 -3.30 132.00 125.42 1xxh h PRO 243 Ca -0.45 -0.08 0.15 0.00 -0.87 0.00 0.00 66.00 64.75 1xxh h PRO 243 Cb 1.28 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.32 1xxh h PRO 243 CO 0.45 0.87 0.12 0.28 -0.23 0.00 0.00 178.00 179.49 1xxh h VAL 244 N -0.70 0.52 -0.88 1.56 2.07 -2.00 0.02 116.25 116.85 1xxh h VAL 244 Ca -0.01 -0.08 0.15 0.00 0.82 0.00 0.00 66.70 67.58 1xxh h VAL 244 Cb 0.91 0.28 -0.10 0.00 -1.52 0.00 0.00 31.29 30.86 1xxh h VAL 244 CO 0.02 0.04 0.47 -0.29 0.02 0.00 0.00 177.57 177.83 1xxh h ILE 245 N 0.22 0.73 0.08 4.57 2.10 -1.96 -1.77 117.51 121.49 1xxh h ILE 245 Ca 0.38 -0.22 -0.00 0.00 1.08 0.00 0.00 64.86 66.09 1xxh h ILE 245 Cb 0.63 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.38 1xxh h ILE 245 CO -0.51 0.12 -0.04 -0.07 -1.08 0.00 0.00 178.15 176.57 1xxh h LEU 246 N 0.65 -0.10 -0.79 2.19 3.38 -1.11 -3.10 115.31 116.45 1xxh h LEU 246 Ca 0.48 -0.35 0.13 0.00 0.09 0.00 0.00 57.88 58.23 1xxh h LEU 246 Cb 0.68 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.32 1xxh h LEU 246 CO -0.36 0.32 -0.27 0.18 0.09 0.00 0.00 178.44 178.40 1xxh n LEU 247 N -4.95 -0.43 0.14 1.67 4.77 -0.65 0.21 117.00 117.77 1xxh n LEU 247 Ca -0.08 1.37 0.02 0.00 -0.03 0.00 0.00 56.01 57.28 1xxh n LEU 247 Cb 0.23 -0.35 0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1xxh n LEU 247 CO 0.32 -1.26 0.48 0.03 -1.33 0.00 0.00 177.39 175.63 1xxh h ARG 248 N 0.00 0.00 -0.03 3.23 2.47 -1.60 -2.49 114.38 115.96 1xxh h ARG 248 Ca 0.31 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 59.06 1xxh h ARG 248 Cb 0.51 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.78 1xxh h ARG 248 CO -0.79 0.53 -0.23 1.15 0.56 0.00 0.00 179.97 181.18 1xxh h THR 249 N 0.00 0.46 -0.10 2.04 2.02 -0.15 0.17 112.91 117.34 1xxh h THR 249 Ca -0.01 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 1xxh h THR 249 Cb 1.34 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1xxh h THR 249 CO 0.07 0.00 -0.49 0.17 0.37 0.00 0.00 175.52 175.64 1xxh h LEU 250 N -0.35 0.28 -0.42 2.58 -0.00 -1.54 -2.95 115.31 112.91 1xxh h LEU 250 Ca 0.07 -0.13 0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1xxh h LEU 250 Cb 0.44 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.99 1xxh h LEU 250 CO -0.23 0.73 0.21 -0.61 -0.00 0.00 0.00 178.44 178.54 1xxh h GLN 251 N 0.21 0.42 0.24 0.17 4.15 -0.84 1.97 115.11 121.44 1xxh h GLN 251 Ca 0.01 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 1xxh h GLN 251 Cb 0.94 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.52 1xxh h GLN 251 CO 0.08 0.28 -0.20 0.00 -1.93 0.00 0.00 178.83 177.05 1xxh h ARG 252 N 0.43 -0.45 -0.52 1.69 2.47 -0.87 0.22 114.38 117.35 1xxh h ARG 252 Ca 0.18 0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 58.87 1xxh h ARG 252 Cb 0.07 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.47 1xxh h ARG 252 CO -0.12 -0.30 0.11 0.93 0.56 0.00 0.00 179.97 181.15 1xxh h GLU 253 N -0.46 0.85 0.21 0.04 4.39 -1.29 -2.10 114.58 116.21 1xxh h GLU 253 Ca -0.01 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 1xxh h GLU 253 Cb 0.42 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1xxh h GLU 253 CO -0.02 0.82 -0.10 1.25 -1.16 0.00 0.00 179.01 179.80 1xxh h LEU 254 N 0.73 -0.23 -1.71 1.33 5.85 0.34 -2.28 115.31 119.34 1xxh h LEU 254 Ca 0.16 0.01 0.44 0.00 0.84 0.00 0.00 57.88 59.33 1xxh h LEU 254 Cb 0.37 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.36 1xxh h LEU 254 CO 0.01 -0.17 1.01 -0.07 -0.34 0.00 0.00 178.44 178.88 1xxh h LEU 255 N -0.28 0.13 0.51 2.25 3.38 -0.65 0.35 115.31 121.01 1xxh h LEU 255 Ca -0.03 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1xxh h LEU 255 Cb 0.21 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1xxh h LEU 255 CO 0.05 -0.06 -0.44 0.25 0.09 0.00 0.00 178.44 178.32 1xxh h LEU 256 N 0.07 -1.18 -0.70 1.67 5.85 -0.84 -2.60 115.31 117.58 1xxh h LEU 256 Ca 0.78 0.09 0.13 0.00 0.84 0.00 0.00 57.88 59.71 1xxh h LEU 256 Cb 2.78 0.38 -0.09 0.00 0.37 0.00 0.00 40.66 44.10 1xxh h LEU 256 CO -0.19 -0.60 0.26 -0.07 -0.34 0.00 0.00 178.44 177.50 1xxh h LEU 257 N -0.93 0.24 -0.72 2.25 3.38 0.22 -1.36 115.31 118.39 1xxh h LEU 257 Ca -0.07 0.10 0.16 0.00 0.09 0.00 0.00 57.88 58.17 1xxh h LEU 257 Cb 0.78 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.50 1xxh h LEU 257 CO -0.01 0.11 0.03 0.58 0.09 0.00 0.00 178.44 179.23 1xxh h VAL 258 N 0.42 0.40 -0.18 1.22 2.07 -1.11 0.74 116.25 119.80 1xxh h VAL 258 Ca 0.38 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.74 1xxh h VAL 258 Cb 0.54 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1xxh h VAL 258 CO -0.38 0.02 -0.38 0.78 0.02 0.00 0.00 177.57 177.64 1xxh h ASN 259 N 0.13 0.42 0.00 0.57 2.35 -0.92 -2.85 115.58 115.28 1xxh h ASN 259 Ca 0.39 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1xxh h ASN 259 Cb 0.68 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1xxh h ASN 259 CO -0.61 0.76 0.00 0.18 -1.65 0.00 0.00 177.43 176.11 1xxh n LEU 260 N -4.05 0.30 -0.33 1.61 4.77 0.21 -2.92 117.00 116.60 1xxh n LEU 260 Ca -0.01 0.68 0.16 0.00 -0.03 0.00 0.00 56.01 56.81 1xxh n LEU 260 Cb 0.48 -0.31 0.32 0.00 -2.33 0.00 0.00 43.42 41.58 1xxh n LEU 260 CO 0.43 -0.31 0.85 0.50 -1.33 0.00 0.00 177.39 177.53 1xxh h LYS 261 N 0.00 0.03 0.00 3.23 1.63 -0.33 1.66 116.57 122.80 1xxh h LYS 261 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xxh h LYS 261 Cb 0.00 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1xxh h LYS 261 CO 0.00 0.02 0.05 0.00 -3.45 0.00 0.00 179.45 176.07 1xxh h ARG 262 N 0.03 0.00 -0.90 1.90 3.08 -1.56 -2.80 114.38 114.13 1xxh h ARG 262 Ca 0.62 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 60.10 1xxh h ARG 262 Cb 1.33 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.09 1xxh h ARG 262 CO -0.86 0.00 0.50 1.04 -1.07 0.00 0.00 179.97 179.58 1xxh n GLN 263 N -2.98 2.61 -3.27 0.04 6.02 0.57 -4.90 117.38 115.48 1xxh n GLN 263 Ca -0.03 -3.33 -0.39 0.00 -0.01 0.00 0.00 57.00 53.25 1xxh n GLN 263 Cb 0.11 -2.21 -0.06 0.00 1.02 0.00 0.00 30.24 29.10 1xxh n GLN 263 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1xxh s SER 264 N -2.01 6.64 0.00 1.08 1.04 -1.06 -2.81 113.70 116.57 1xxh s SER 264 Ca 0.59 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.78 1xxh s SER 264 Cb 0.48 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1xxh s SER 264 CO 0.03 -0.09 0.00 0.00 0.98 0.00 0.00 173.24 174.15 1xxh n ALA 265 N 4.22 0.00 -0.09 5.32 0.00 -1.26 -4.87 120.51 123.83 1xxh n ALA 265 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 1xxh n ALA 265 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 1xxh n ALA 265 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xxh h HIS 266 N 0.00 0.00 -2.55 0.00 -0.00 -1.87 -3.48 115.15 107.24 1xxh h HIS 266 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 1xxh h HIS 266 Cb 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 27.41 27.16 1xxh h HIS 266 CO 0.00 0.85 -0.21 0.99 -0.00 0.00 0.00 177.93 179.56 1xxh s THR 267 N -2.25 -0.01 0.08 2.45 2.01 -1.12 -5.13 115.64 111.67 1xxh s THR 267 Ca -0.21 0.05 -0.35 0.00 0.31 0.00 0.00 61.69 61.49 1xxh s THR 267 Cb 0.03 -0.67 -0.15 0.00 0.01 0.00 0.00 72.50 71.72 1xxh s THR 267 CO 0.44 0.02 1.54 -2.65 -0.69 0.00 0.00 174.62 173.28 1xxh n PRO 268 N 3.77 1.74 -0.21 4.92 -0.02 -1.26 -4.76 135.00 139.17 1xxh n PRO 268 Ca -0.19 0.63 0.18 0.00 -2.02 0.00 0.00 63.50 62.10 1xxh n PRO 268 Cb 0.56 -2.36 0.31 0.00 -0.02 0.00 0.00 33.50 31.99 1xxh n PRO 268 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1xxh n LEU 269 N 3.57 0.10 0.00 2.45 7.94 -1.26 -2.80 117.00 127.00 1xxh n LEU 269 Ca 0.19 0.64 0.00 0.00 -1.11 0.00 0.00 56.01 55.73 1xxh n LEU 269 Cb 0.24 -0.31 0.00 0.00 0.53 0.00 0.00 43.42 43.88 1xxh n LEU 269 CO 0.65 -0.70 0.22 0.54 -1.11 0.00 0.00 177.39 177.00 1xxh n ARG 270 N -3.60 0.00 -0.25 1.96 1.74 -1.26 -1.68 116.66 113.57 1xxh n ARG 270 Ca 0.18 0.07 0.29 0.00 -0.77 0.00 0.00 57.85 57.62 1xxh n ARG 270 Cb 0.71 -0.95 0.68 0.00 -1.02 0.00 0.00 32.46 31.88 1xxh n ARG 270 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xxh h ALA 271 N -2.02 2.78 0.11 7.54 0.00 -1.89 0.81 119.26 126.60 1xxh h ALA 271 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xxh h ALA 271 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xxh h ALA 271 CO 0.00 -1.09 -0.05 1.25 0.00 0.00 0.00 179.25 179.35 1xxh h LEU 272 N 0.10 -0.13 -0.91 0.00 5.85 -1.55 -2.31 115.31 116.36 1xxh h LEU 272 Ca 0.50 -0.05 0.25 0.00 0.84 0.00 0.00 57.88 59.43 1xxh h LEU 272 Cb 1.81 0.03 -0.14 0.00 0.37 0.00 0.00 40.66 42.73 1xxh h LEU 272 CO -0.07 -0.04 0.31 -0.26 -0.34 0.00 0.00 178.44 178.04 1xxh h PHE 273 N -0.21 0.47 -0.17 1.25 0.05 0.10 -1.16 116.94 117.26 1xxh h PHE 273 Ca -0.02 0.05 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 1xxh h PHE 273 Cb 0.17 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.05 1xxh h PHE 273 CO -0.05 -0.20 0.10 -0.44 -0.18 0.00 0.00 178.31 177.53 1xxh h ASP 274 N 0.23 0.21 -0.94 2.17 5.19 -1.50 -2.92 116.42 118.86 1xxh h ASP 274 Ca 0.59 -0.07 0.16 0.00 -0.62 0.00 0.00 57.03 57.09 1xxh h ASP 274 Cb 1.24 -0.05 -0.08 0.00 0.18 0.00 0.00 39.33 40.61 1xxh h ASP 274 CO -0.65 0.23 0.60 0.11 -3.12 0.00 0.00 179.24 176.41 1xxh h LYS 275 N 0.19 0.70 -0.00 3.56 1.79 -0.65 -0.66 116.57 121.50 1xxh h LYS 275 Ca 0.06 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1xxh h LYS 275 Cb 0.06 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1xxh h LYS 275 CO -0.01 0.47 -0.29 0.72 -1.08 0.00 0.00 179.45 179.25 1xxh n HIS 276 N -4.61 0.00 -2.33 -1.35 8.25 -1.04 -4.98 115.22 109.16 1xxh n HIS 276 Ca 0.19 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.52 1xxh n HIS 276 Cb 0.51 -0.19 -0.01 0.00 1.12 0.00 0.00 29.99 31.42 1xxh n HIS 276 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1xxh n ARG 277 N -0.99 -2.06 -0.01 -0.41 1.74 -0.26 -4.78 116.66 109.89 1xxh n ARG 277 Ca 0.10 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.86 1xxh n ARG 277 Cb 0.33 -5.25 -0.02 0.00 -1.02 0.00 0.00 32.46 26.50 1xxh n ARG 277 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1xxh n VAL 278 N -3.32 0.10 -1.38 1.55 0.31 -1.26 -4.93 118.33 109.40 1xxh n VAL 278 Ca -0.16 -0.10 -0.11 0.00 -0.01 0.00 0.00 64.34 63.96 1xxh n VAL 278 Cb 0.60 -0.23 -0.10 0.00 -0.91 0.00 0.00 33.84 33.20 1xxh n VAL 278 CO 0.00 0.00 0.00 -2.67 -1.32 0.00 0.00 176.83 172.84 1xxh n TRP 279 N -1.85 0.47 -0.06 3.52 2.14 -1.25 -4.65 117.44 115.75 1xxh n TRP 279 Ca -0.03 -0.05 0.00 0.00 2.07 0.00 0.00 57.50 59.50 1xxh n TRP 279 Cb 0.33 -1.48 0.00 0.00 -0.81 0.00 0.00 31.31 29.35 1xxh n TRP 279 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1xxh n GLN 280 N 6.54 0.18 0.00 -2.67 10.64 -1.26 -4.80 117.38 126.00 1xxh n GLN 280 Ca 0.36 -0.76 0.00 0.00 -1.83 0.00 0.00 57.00 54.77 1xxh n GLN 280 Cb 0.40 -0.97 0.00 0.00 -0.86 0.00 0.00 30.24 28.81 1xxh n GLN 280 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1xxh n ASN 281 N -0.14 0.00 0.05 2.61 5.15 -1.26 -4.95 115.26 116.72 1xxh n ASN 281 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1xxh n ASN 281 Cb 0.09 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.36 1xxh n ASN 281 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1xxh n ARG 282 N 0.00 0.01 -3.09 1.20 0.63 -1.26 -3.66 116.66 110.49 1xxh n ARG 282 Ca 0.00 0.20 -0.44 0.00 -0.92 0.00 0.00 57.85 56.69 1xxh n ARG 282 Cb 0.00 -2.04 -0.05 0.00 0.45 0.00 0.00 32.46 30.82 1xxh n ARG 282 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1xxh s ARG 283 N -2.42 3.12 0.00 -0.14 3.52 -1.26 -4.46 118.95 117.31 1xxh s ARG 283 Ca -0.00 -0.93 0.00 0.00 -0.13 0.00 0.00 55.73 54.67 1xxh s ARG 283 Cb 0.00 -4.14 0.00 0.00 -1.56 0.00 0.00 34.95 29.25 1xxh s ARG 283 CO 0.01 -1.37 0.00 0.41 -0.81 0.00 0.00 175.30 173.54 1xxh n GLY 284 N 5.20 -1.00 4.42 8.12 0.00 -1.24 -5.03 105.19 115.66 1xxh n GLY 284 Ca -0.06 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1xxh n GLY 284 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxh n GLY 287 N 0.00 1.46 0.09 -0.02 0.00 -1.26 -4.60 105.19 100.86 1xxh n GLY 287 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1xxh n GLY 287 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xxh h GLU 288 N 0.02 0.15 -0.23 1.61 4.81 -1.95 -1.64 114.58 117.35 1xxh h GLU 288 Ca 0.00 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1xxh h GLU 288 Cb 0.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1xxh h GLU 288 CO 0.00 0.69 -0.00 0.00 -0.73 0.00 0.00 179.01 178.97 1xxh h ALA 289 N 0.46 1.57 -0.22 2.92 0.00 -1.81 -1.46 119.26 120.72 1xxh h ALA 289 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1xxh h ALA 289 Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1xxh h ALA 289 CO 0.02 0.32 -0.39 -0.07 0.00 0.00 0.00 179.25 179.13 1xxh h LEU 290 N 0.34 0.54 -0.19 0.00 3.38 -1.87 -2.73 115.31 114.78 1xxh h LEU 290 Ca 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1xxh h LEU 290 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1xxh h LEU 290 CO 0.01 0.88 0.08 -1.13 0.09 0.00 0.00 178.44 178.37 1xxh h ASN 291 N 0.43 0.25 -0.48 -0.43 -0.73 -0.26 -3.30 115.58 111.05 1xxh h ASN 291 Ca 0.04 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.07 1xxh h ASN 291 Cb 0.87 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.40 1xxh h ASN 291 CO 0.07 0.33 0.00 -1.14 -0.37 0.00 0.00 177.43 176.32 1xxh n ARG 292 N -4.86 2.57 -3.87 6.67 3.00 -1.07 -4.85 116.66 114.25 1xxh n ARG 292 Ca -0.04 -2.39 -0.35 0.00 -0.00 0.00 0.00 57.85 55.06 1xxh n ARG 292 Cb 0.11 -1.53 -0.14 0.00 0.00 0.00 0.00 32.46 30.91 1xxh n ARG 292 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1xxh s LEU 293 N -1.35 3.14 0.38 6.15 1.43 -1.03 -5.02 118.68 122.37 1xxh s LEU 293 Ca 0.41 -0.47 -0.24 0.00 -1.03 0.00 0.00 54.13 52.80 1xxh s LEU 293 Cb 0.23 -1.77 -0.10 0.00 0.03 0.00 0.00 46.19 44.58 1xxh s LEU 293 CO 0.32 -0.06 0.95 -0.94 0.23 0.00 0.00 176.35 176.85 1xxh s SER 294 N 1.48 7.13 0.42 2.29 1.04 -1.26 -4.85 113.70 119.95 1xxh s SER 294 Ca 0.05 1.77 0.29 0.00 0.48 0.00 0.00 55.95 58.53 1xxh s SER 294 Cb -0.15 -2.56 1.45 0.00 0.10 0.00 0.00 66.02 64.86 1xxh s SER 294 CO -0.02 -0.22 1.57 0.00 0.98 0.00 0.00 173.24 175.56 1xxh n GLN 295 N -0.03 -0.04 0.08 4.02 3.00 -1.26 0.78 117.38 123.93 1xxh n GLN 295 Ca 0.04 1.30 -0.09 0.00 -0.01 0.00 0.00 57.00 58.25 1xxh n GLN 295 Cb 0.52 -2.49 -0.05 0.00 0.00 0.00 0.00 30.24 28.23 1xxh n GLN 295 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1xxh h THR 296 N 0.00 1.55 0.46 5.09 2.02 -2.00 -2.94 112.91 117.09 1xxh h THR 296 Ca 0.87 -2.87 -0.02 0.00 0.77 0.00 0.00 66.41 65.16 1xxh h THR 296 Cb 2.65 2.62 0.00 0.00 -1.74 0.00 0.00 68.15 71.68 1xxh h THR 296 CO -0.57 0.83 -0.22 1.56 0.37 0.00 0.00 175.52 177.49 1xxh h GLN 297 N 0.07 -0.60 -0.44 6.66 4.20 0.01 -2.98 115.11 122.02 1xxh h GLN 297 Ca -0.05 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1xxh h GLN 297 Cb 1.63 0.14 -0.09 0.00 0.30 0.00 0.00 27.48 29.45 1xxh h GLN 297 CO 0.14 -0.33 -0.49 -0.07 -0.67 0.00 0.00 178.83 177.41 1xxh h LEU 298 N -0.77 -1.64 -0.87 1.46 4.07 -1.53 -1.04 115.31 114.99 1xxh h LEU 298 Ca -0.06 0.24 0.14 0.00 0.08 0.00 0.00 57.88 58.27 1xxh h LEU 298 Cb 0.54 0.70 -0.14 0.00 1.08 0.00 0.00 40.66 42.84 1xxh h LEU 298 CO 0.10 -0.38 -0.33 -1.14 -1.08 0.00 0.00 178.44 175.62 1xxh n ARG 299 N -5.40 -0.19 -0.27 1.13 0.63 -1.11 0.73 116.66 112.18 1xxh n ARG 299 Ca -0.01 1.34 -0.06 0.00 -0.92 0.00 0.00 57.85 58.20 1xxh n ARG 299 Cb 0.35 -1.99 0.06 0.00 0.45 0.00 0.00 32.46 31.33 1xxh n ARG 299 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1xxh h GLN 300 N 0.00 1.07 -1.00 -0.14 4.20 -1.08 -1.16 115.11 117.00 1xxh h GLN 300 Ca 0.31 -0.15 0.18 0.00 0.06 0.00 0.00 58.65 59.06 1xxh h GLN 300 Cb 0.53 -0.20 -0.10 0.00 0.30 0.00 0.00 27.48 28.01 1xxh h GLN 300 CO -0.87 0.82 0.62 0.00 -0.67 0.00 0.00 178.83 178.73 1xxh h ALA 301 N 1.19 1.67 0.85 3.87 0.00 0.13 -0.50 119.26 126.46 1xxh h ALA 301 Ca 0.26 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1xxh h ALA 301 Cb 0.09 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xxh h ALA 301 CO -0.04 -0.02 -0.41 0.28 0.00 0.00 0.00 179.25 179.06 1xxh h VAL 302 N 0.79 0.12 -0.81 0.00 2.07 -0.24 -2.13 116.25 116.05 1xxh h VAL 302 Ca 0.57 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 68.08 1xxh h VAL 302 Cb 0.85 0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 30.65 1xxh h VAL 302 CO -0.36 0.00 -0.48 0.00 0.02 0.00 0.00 177.57 176.76 1xxh n GLN 303 N -5.56 -0.36 0.03 1.57 1.13 -0.32 -0.73 117.38 113.14 1xxh n GLN 303 Ca -0.15 1.35 -0.11 0.00 -1.94 0.00 0.00 57.00 56.15 1xxh n GLN 303 Cb 0.46 -1.99 -0.05 0.00 0.11 0.00 0.00 30.24 28.77 1xxh n GLN 303 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1xxh h LEU 304 N 0.00 -0.98 -1.24 1.08 3.38 -1.20 -0.42 115.31 115.93 1xxh h LEU 304 Ca 0.13 0.14 0.25 0.00 0.09 0.00 0.00 57.88 58.49 1xxh h LEU 304 Cb 0.33 0.41 -0.10 0.00 0.09 0.00 0.00 40.66 41.38 1xxh h LEU 304 CO -0.76 -0.37 0.64 0.25 0.09 0.00 0.00 178.44 178.29 1xxh h LEU 305 N -0.44 0.54 0.50 1.67 6.46 -0.41 0.31 115.31 123.94 1xxh h LEU 305 Ca 0.08 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 1xxh h LEU 305 Cb 0.55 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1xxh h LEU 305 CO -0.31 0.11 -0.24 0.74 -0.62 0.00 0.00 178.44 178.12 1xxh h THR 306 N 0.47 0.00 -0.06 1.05 2.02 0.69 -0.57 112.91 116.52 1xxh h THR 306 Ca 0.61 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.80 1xxh h THR 306 Cb 1.38 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1xxh h THR 306 CO -0.35 0.00 0.25 -0.09 0.37 0.00 0.00 175.52 175.69 1xxh h ARG 307 N -0.68 0.00 0.27 6.66 2.43 -0.12 -1.68 114.38 121.26 1xxh h ARG 307 Ca -0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1xxh h ARG 307 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1xxh h ARG 307 CO 0.11 0.00 -0.13 1.15 -1.51 0.00 0.00 179.97 179.59 1xxh h THR 308 N 0.00 0.06 -0.40 0.20 2.02 -0.08 -0.82 112.91 113.89 1xxh h THR 308 Ca 0.03 -0.76 0.04 0.00 0.77 0.00 0.00 66.41 66.49 1xxh h THR 308 Cb 0.52 0.11 -0.06 0.00 -1.74 0.00 0.00 68.15 66.98 1xxh h THR 308 CO -0.00 0.02 -0.39 -0.08 0.37 0.00 0.00 175.52 175.44 1xxh h GLU 309 N -1.09 -0.18 -0.09 6.66 4.57 -0.34 0.50 114.58 124.62 1xxh h GLU 309 Ca -0.04 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1xxh h GLU 309 Cb 0.31 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1xxh h GLU 309 CO 0.06 -0.12 -0.18 -0.07 -1.18 0.00 0.00 179.01 177.52 1xxh h LEU 310 N -0.19 -0.58 -1.42 1.64 3.38 -1.45 0.24 115.31 116.93 1xxh h LEU 310 Ca 0.07 0.07 0.49 0.00 0.09 0.00 0.00 57.88 58.60 1xxh h LEU 310 Cb 0.37 0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.21 1xxh h LEU 310 CO -0.48 -0.14 0.92 0.41 0.09 0.00 0.00 178.44 179.24 1xxh n THR 311 N -3.52 -0.24 0.09 0.22 -1.04 -0.31 0.21 114.28 109.67 1xxh n THR 311 Ca -0.02 1.81 -0.01 0.00 -2.04 0.00 0.00 64.05 63.79 1xxh n THR 311 Cb 0.12 -2.96 0.28 0.00 -1.82 0.00 0.00 70.33 65.95 1xxh n THR 311 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1xxh h LEU 312 N 0.00 0.29 -2.85 -4.42 5.85 0.34 -3.29 115.31 111.23 1xxh h LEU 312 Ca 0.89 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 59.49 1xxh h LEU 312 Cb 2.91 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 43.80 1xxh h LEU 312 CO -0.45 0.56 -0.43 0.29 -0.34 0.00 0.00 178.44 178.07 1xxh n LYS 313 N -4.14 0.98 -0.10 1.25 5.02 0.56 -3.40 118.16 118.33 1xxh n LYS 313 Ca -0.01 -2.50 -0.14 0.00 -2.02 0.00 0.00 58.31 53.64 1xxh n LYS 313 Cb 0.38 -1.14 -0.10 0.00 -0.02 0.00 0.00 35.03 34.16 1xxh n LYS 313 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xxh n GLN 314 N -0.78 0.54 -0.52 1.97 6.02 0.10 -4.56 117.38 120.15 1xxh n GLN 314 Ca 0.13 0.12 0.05 0.00 -0.01 0.00 0.00 57.00 57.28 1xxh n GLN 314 Cb 0.75 -1.41 0.08 0.00 1.02 0.00 0.00 30.24 30.68 1xxh n GLN 314 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1xxh n ASP 315 N -3.09 1.16 -0.17 1.08 8.00 -1.24 -5.07 116.55 117.22 1xxh n ASP 315 Ca -0.36 -2.62 0.00 0.00 0.71 0.00 0.00 54.79 52.52 1xxh n ASP 315 Cb 0.89 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1xxh n ASP 315 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xxh n TYR 316 N -0.55 0.00 0.00 1.24 0.18 -1.22 -4.13 117.16 112.68 1xxh n TYR 316 Ca 0.09 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.87 1xxh n TYR 316 Cb 0.75 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.71 1xxh n TYR 316 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1xxh n GLY 317 N 0.27 1.09 2.80 -7.48 0.00 -1.25 -5.03 105.19 95.59 1xxh n GLY 317 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1xxh n GLY 317 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xxh n GLN 318 N 0.00 2.96 -2.39 1.61 -0.06 -1.26 -4.94 117.38 113.30 1xxh n GLN 318 Ca 0.00 -3.80 -0.07 0.00 -2.00 0.00 0.00 57.00 51.13 1xxh n GLN 318 Cb 0.00 -2.27 0.00 0.00 -4.06 0.00 0.00 30.24 23.92 1xxh n GLN 318 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1xxh n SER 319 N -0.52 -1.21 -0.13 1.69 3.41 -1.26 -4.75 113.62 110.85 1xxh n SER 319 Ca 0.50 -0.17 0.07 0.00 -0.26 0.00 0.00 58.87 59.01 1xxh n SER 319 Cb 0.35 -0.38 0.40 0.00 -0.26 0.00 0.00 64.21 64.31 1xxh n SER 319 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1xxh h VAL 320 N 0.62 1.01 -0.85 -3.33 2.07 -1.94 -2.49 116.25 111.35 1xxh h VAL 320 Ca -0.15 -0.22 0.27 0.00 0.82 0.00 0.00 66.70 67.42 1xxh h VAL 320 Cb 0.34 0.31 -0.16 0.00 -1.52 0.00 0.00 31.29 30.26 1xxh h VAL 320 CO 0.08 0.12 0.14 0.79 0.02 0.00 0.00 177.57 178.72 1xxh n TRP 321 N -4.48 0.67 0.17 1.57 5.03 -1.26 0.11 117.44 119.25 1xxh n TRP 321 Ca 0.09 1.02 -0.11 0.00 3.03 0.00 0.00 57.50 61.53 1xxh n TRP 321 Cb 0.23 -1.22 -0.06 0.00 -1.03 0.00 0.00 31.31 29.23 1xxh n TRP 321 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1xxh h ALA 322 N 1.70 -0.98 -0.72 6.99 0.00 -1.78 -1.98 119.26 122.50 1xxh h ALA 322 Ca 0.58 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.44 1xxh h ALA 322 Cb 1.31 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 19.56 1xxh h ALA 322 CO -0.76 -1.01 -0.57 0.93 0.00 0.00 0.00 179.25 177.85 1xxh h GLU 323 N -0.60 -0.18 -0.94 0.00 4.39 0.59 -1.98 114.58 115.86 1xxh h GLU 323 Ca -0.04 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.77 1xxh h GLU 323 Cb 0.53 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.09 1xxh h GLU 323 CO -0.05 -0.12 -0.56 -0.07 -1.16 0.00 0.00 179.01 177.06 1xxh h LEU 324 N -0.18 -2.03 -0.80 1.33 3.38 -0.71 0.56 115.31 116.84 1xxh h LEU 324 Ca 0.12 0.32 0.19 0.00 0.09 0.00 0.00 57.88 58.59 1xxh h LEU 324 Cb 0.49 0.91 -0.12 0.00 0.09 0.00 0.00 40.66 42.03 1xxh h LEU 324 CO -0.77 -0.25 0.24 -0.08 0.09 0.00 0.00 178.44 177.66 1xxh h GLU 325 N -0.04 0.29 -0.71 1.13 4.81 -0.61 0.48 114.58 119.93 1xxh h GLU 325 Ca 0.18 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.46 1xxh h GLU 325 Cb 0.45 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.72 1xxh h GLU 325 CO -0.91 0.19 0.46 0.78 -0.73 0.00 0.00 179.01 178.80 1xxh h GLY 326 N 0.30 0.91 1.65 1.92 0.00 0.45 -1.57 103.07 106.73 1xxh h GLY 326 Ca 0.47 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 47.36 1xxh h GLY 326 CO -0.54 0.21 -0.62 1.41 0.00 0.00 0.00 176.54 177.00 1xxh h LEU 327 N 0.72 0.41 -1.97 3.11 -0.00 0.86 -2.88 115.31 115.55 1xxh h LEU 327 Ca 0.31 -0.24 -0.02 0.00 -0.00 0.00 0.00 57.88 57.93 1xxh h LEU 327 Cb 0.28 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1xxh h LEU 327 CO -0.10 0.93 -0.08 0.28 -0.00 0.00 0.00 178.44 179.47 1xxh h SER 328 N 0.26 0.00 0.18 -0.43 0.02 -0.15 -2.80 113.55 110.63 1xxh h SER 328 Ca -0.01 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 1xxh h SER 328 Cb 1.15 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.71 1xxh h SER 328 CO 0.10 0.08 -1.35 -0.07 -1.14 0.00 0.00 176.83 174.45 1xxh h LEU 329 N 0.00 0.58 0.00 5.07 3.38 -1.34 -3.29 115.31 119.71 1xxh h LEU 329 Ca -0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1xxh h LEU 329 Cb 0.15 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1xxh h LEU 329 CO 0.01 1.62 0.00 -0.11 0.09 0.00 0.00 178.44 180.05 1xxh n LEU 330 N -3.85 0.00 -0.67 1.67 -0.00 -1.06 -1.83 117.00 111.25 1xxh n LEU 330 Ca -0.20 0.36 0.12 0.00 -0.00 0.00 0.00 56.01 56.29 1xxh n LEU 330 Cb 0.97 -0.36 0.06 0.00 -0.00 0.00 0.00 43.42 44.09 1xxh n LEU 330 CO 0.51 -0.34 0.46 0.18 -0.00 0.00 0.00 177.39 178.19 1xxh n LEU 331 N -1.36 2.37 -0.05 -1.96 4.77 -1.19 -4.54 117.00 115.05 1xxh n LEU 331 Ca 0.01 -0.83 -0.07 0.00 -0.03 0.00 0.00 56.01 55.09 1xxh n LEU 331 Cb 0.02 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1xxh n LEU 331 CO 0.01 0.42 -0.80 0.00 -1.33 0.00 0.00 177.39 175.69 1xxh s HIS 333 N -2.18 2.86 0.99 0.00 3.76 -1.21 -5.09 115.29 114.42 1xxh s HIS 333 Ca -0.12 -0.09 -0.13 0.00 -0.15 0.00 0.00 55.06 54.56 1xxh s HIS 333 Cb 0.03 -1.48 0.10 0.00 1.11 0.00 0.00 32.58 32.35 1xxh s HIS 333 CO 0.21 0.46 0.60 1.63 -0.85 0.00 0.00 174.74 176.78 1xxh n LYS 334 N 0.61 -0.78 -3.50 1.40 5.02 -1.26 -4.76 118.16 114.89 1xxh n LYS 334 Ca -0.12 -0.18 -0.18 0.00 -2.02 0.00 0.00 58.31 55.81 1xxh n LYS 334 Cb 0.52 -2.00 -0.04 0.00 -0.02 0.00 0.00 35.03 33.49 1xxh n LYS 334 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1xxh n PRO 335 N -2.77 1.11 -4.40 1.97 -0.04 -1.26 -5.04 135.00 124.57 1xxh n PRO 335 Ca 0.07 -2.10 -0.20 0.00 -0.04 0.00 0.00 63.50 61.22 1xxh n PRO 335 Cb 0.55 0.74 -0.10 0.00 -0.04 0.00 0.00 33.50 34.64 1xxh n PRO 335 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xxh s LEU 336 N 0.00 2.52 -0.95 1.53 1.43 -1.26 -5.05 118.68 116.89 1xxh s LEU 336 Ca 0.04 -1.11 -0.08 0.00 -1.03 0.00 0.00 54.13 51.95 1xxh s LEU 336 Cb 0.00 -0.69 -0.14 0.00 0.03 0.00 0.00 46.19 45.39 1xxh s LEU 336 CO 0.03 -0.24 3.19 0.00 0.23 0.00 0.00 176.35 179.55 1xxh n ALA 337 N -0.50 7.05 -1.66 4.21 0.00 -1.26 -5.19 120.51 123.17 1xxh n ALA 337 Ca -0.06 -2.89 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1xxh n ALA 337 Cb 0.62 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 17.16 1xxh n ALA 337 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25