#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxi s ILE 2 N 0.00 3.46 -0.13 1.12 1.01 -1.19 -4.73 121.20 120.73 1xxi s ILE 2 Ca 0.00 0.48 -0.26 0.00 0.00 0.00 0.00 60.65 60.86 1xxi s ILE 2 Cb 0.00 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 1xxi s ILE 2 CO 0.00 -0.34 0.86 -0.13 0.00 0.00 0.00 174.94 175.33 1xxi s ARG 3 N 5.51 4.36 0.16 2.79 0.52 -1.26 -1.67 118.95 129.36 1xxi s ARG 3 Ca 0.81 1.11 -0.13 0.00 -0.52 0.00 0.00 55.73 57.00 1xxi s ARG 3 Cb -0.25 -3.54 0.01 0.00 0.52 0.00 0.00 34.95 31.69 1xxi s ARG 3 CO 0.33 -0.26 0.37 -0.48 0.02 0.00 0.00 175.30 175.29 1xxi s LEU 4 N 1.87 0.64 0.28 2.53 0.05 0.14 -4.98 118.68 119.21 1xxi s LEU 4 Ca 0.41 -0.65 -0.12 0.00 0.05 0.00 0.00 54.13 53.82 1xxi s LEU 4 Cb -0.17 1.57 -0.08 0.00 -2.05 0.00 0.00 46.19 45.46 1xxi s LEU 4 CO 0.15 -0.93 0.65 -0.31 -0.55 0.00 0.00 176.35 175.37 1xxi s TYR 5 N -3.91 3.40 0.51 3.48 2.02 -1.26 -1.41 117.35 120.18 1xxi s TYR 5 Ca 0.11 1.06 0.40 0.00 -0.37 0.00 0.00 57.07 58.27 1xxi s TYR 5 Cb 0.02 -2.41 1.58 0.00 -0.40 0.00 0.00 41.96 40.75 1xxi s TYR 5 CO -0.03 0.18 1.64 -1.35 -1.57 0.00 0.00 175.55 174.41 1xxi h PRO 6 N 2.39 0.04 -0.11 -1.71 0.11 -1.94 0.72 132.00 131.50 1xxi h PRO 6 Ca -0.47 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 1xxi h PRO 6 Cb 1.17 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1xxi h PRO 6 CO 0.67 0.03 -0.73 0.93 -0.21 0.00 0.00 178.00 178.69 1xxi h GLU 7 N 0.04 0.54 0.00 1.05 3.07 -1.96 -3.23 114.58 114.09 1xxi h GLU 7 Ca 0.82 -0.43 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 1xxi h GLU 7 Cb 3.01 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 31.00 1xxi h GLU 7 CO -0.16 1.05 0.00 1.96 -1.40 0.00 0.00 179.01 180.47 1xxi h GLN 8 N 0.37 0.00 0.01 2.33 4.20 0.09 -3.36 115.11 118.76 1xxi h GLN 8 Ca -0.03 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.69 1xxi h GLN 8 Cb 1.31 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 1xxi h GLN 8 CO 0.13 0.00 -0.11 1.25 -0.67 0.00 0.00 178.83 179.43 1xxi h LEU 9 N 0.00 -0.33 -1.66 1.46 5.85 -1.56 -2.98 115.31 116.09 1xxi h LEU 9 Ca 0.00 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.87 1xxi h LEU 9 Cb 0.49 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1xxi h LEU 9 CO 0.00 -0.17 0.40 -0.09 -0.34 0.00 0.00 178.44 178.24 1xxi h ARG 10 N -0.20 0.37 -0.10 1.25 9.65 -1.80 0.15 114.38 123.69 1xxi h ARG 10 Ca 0.04 -0.02 -0.15 0.00 -1.10 0.00 0.00 59.98 58.75 1xxi h ARG 10 Cb 0.25 -0.08 0.01 0.00 -1.39 0.00 0.00 29.97 28.75 1xxi h ARG 10 CO -0.11 0.24 -0.53 0.00 2.80 0.00 0.00 179.97 182.38 1xxi h ALA 11 N 1.70 0.20 -0.13 2.80 0.00 -1.78 -3.14 119.26 118.92 1xxi h ALA 11 Ca 0.27 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1xxi h ALA 11 Cb 0.57 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1xxi h ALA 11 CO -0.07 0.40 0.01 0.37 0.00 0.00 0.00 179.25 179.96 1xxi h GLN 12 N 0.14 0.22 -0.34 0.00 -0.00 -1.28 -2.63 115.11 111.22 1xxi h GLN 12 Ca -0.04 -0.06 0.10 0.00 -0.00 0.00 0.00 58.65 58.65 1xxi h GLN 12 Cb 1.17 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.61 1xxi h GLN 12 CO 0.11 0.43 0.45 1.25 0.00 0.00 0.00 178.83 181.07 1xxi h LEU 13 N -0.02 0.00 -0.28 -2.39 5.85 -0.79 0.21 115.31 117.89 1xxi h LEU 13 Ca 0.04 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.55 1xxi h LEU 13 Cb 0.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1xxi h LEU 13 CO 0.00 0.00 -0.81 0.78 -0.34 0.00 0.00 178.44 178.07 1xxi h ASN 14 N 0.00 0.57 0.06 1.25 4.21 -1.41 -3.29 115.58 116.97 1xxi h ASN 14 Ca 0.16 -0.40 -0.00 0.00 1.21 0.00 0.00 56.30 57.27 1xxi h ASN 14 Cb 1.07 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 38.09 1xxi h ASN 14 CO -0.00 1.17 -0.03 -0.33 -1.29 0.00 0.00 177.43 176.95 1xxi h GLU 15 N 0.30 -0.08 -1.08 0.81 5.08 -1.00 -3.47 114.58 115.15 1xxi h GLU 15 Ca -0.05 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.51 1xxi h GLU 15 Cb 1.42 0.02 -0.33 0.00 0.50 0.00 0.00 28.75 30.36 1xxi h GLU 15 CO 0.14 0.32 0.85 0.20 -1.00 0.00 0.00 179.01 179.52 1xxi s GLY 16 N -2.98 0.41 0.13 -3.84 0.00 -1.10 -5.13 107.32 94.80 1xxi s GLY 16 Ca -0.15 3.58 -0.31 0.00 0.00 0.00 0.00 44.72 47.85 1xxi s GLY 16 CO 0.64 2.10 1.31 -2.27 0.00 0.00 0.00 173.10 174.88 1xxi s LEU 17 N 0.22 4.39 0.00 0.66 2.96 -1.26 -4.64 118.68 121.01 1xxi s LEU 17 Ca 0.04 2.27 0.00 0.00 -0.22 0.00 0.00 54.13 56.22 1xxi s LEU 17 Cb -0.04 -3.59 0.08 0.00 0.50 0.00 0.00 46.19 43.13 1xxi s LEU 17 CO -0.15 -0.55 0.57 0.54 -1.32 0.00 0.00 176.35 175.44 1xxi n ARG 18 N 3.48 0.22 0.01 1.98 5.12 -1.26 -5.04 116.66 121.17 1xxi n ARG 18 Ca 0.09 -1.56 -0.13 0.00 -1.93 0.00 0.00 57.85 54.32 1xxi n ARG 18 Cb 0.44 -0.37 -0.10 0.00 -1.16 0.00 0.00 32.46 31.27 1xxi n ARG 18 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xxi h ALA 19 N -0.51 -0.07 -3.01 7.54 0.00 -1.93 -3.46 119.26 117.82 1xxi h ALA 19 Ca -0.19 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.30 1xxi h ALA 19 Cb 0.70 0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.30 1xxi h ALA 19 CO 0.20 -0.28 -0.69 0.00 0.00 0.00 0.00 179.25 178.48 1xxi s ALA 20 N -4.15 0.10 -0.15 0.00 0.00 -1.26 -2.79 121.76 113.51 1xxi s ALA 20 Ca -0.15 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1xxi s ALA 20 Cb 0.01 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.30 1xxi s ALA 20 CO 0.63 -0.15 -0.12 0.71 0.00 0.00 0.00 175.76 176.83 1xxi s TYR 21 N -1.38 2.09 -0.20 0.00 1.51 -0.79 -0.67 117.35 117.91 1xxi s TYR 21 Ca -0.15 -1.21 -0.07 0.00 -1.01 0.00 0.00 57.07 54.63 1xxi s TYR 21 Cb -0.09 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 1xxi s TYR 21 CO -0.01 -0.66 0.06 -0.51 -1.11 0.00 0.00 175.55 173.33 1xxi s LEU 22 N 1.51 3.72 -0.52 -1.29 1.43 -0.56 -1.35 118.68 121.62 1xxi s LEU 22 Ca 0.04 0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.09 1xxi s LEU 22 Cb -0.13 -1.95 0.13 0.00 0.03 0.00 0.00 46.19 44.27 1xxi s LEU 22 CO -0.10 0.13 0.36 -0.76 0.23 0.00 0.00 176.35 176.21 1xxi s LEU 23 N 0.64 5.54 -0.32 1.79 1.43 0.11 -1.35 118.68 126.52 1xxi s LEU 23 Ca 0.03 -2.24 -0.07 0.00 -1.03 0.00 0.00 54.13 50.82 1xxi s LEU 23 Cb -0.13 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1xxi s LEU 23 CO 0.02 -0.56 0.10 -0.76 0.23 0.00 0.00 176.35 175.38 1xxi s LEU 24 N 0.85 4.12 0.00 1.79 1.43 -1.04 -0.95 118.68 124.88 1xxi s LEU 24 Ca 0.10 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1xxi s LEU 24 Cb -0.23 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1xxi s LEU 24 CO -0.03 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 176.90 1xxi n GLY 25 N 4.86 -1.34 0.00 -3.19 0.00 0.75 -2.71 105.19 103.56 1xxi n GLY 25 Ca -0.13 -0.97 0.04 0.00 0.00 0.00 0.00 46.02 44.95 1xxi n GLY 25 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xxi n ASN 26 N 1.10 1.55 -4.63 1.61 6.94 -0.88 -2.85 115.26 118.10 1xxi n ASN 26 Ca 0.00 -0.39 -0.43 0.00 -0.02 0.00 0.00 54.58 53.74 1xxi n ASN 26 Cb 0.00 1.18 -0.02 0.00 -2.36 0.00 0.00 39.78 38.58 1xxi n ASN 26 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1xxi s ASP 27 N -2.34 6.69 0.21 0.53 2.15 -1.26 -4.90 116.67 117.75 1xxi s ASP 27 Ca 0.00 1.32 -0.10 0.00 0.43 0.00 0.00 52.55 54.20 1xxi s ASP 27 Cb 0.06 -2.54 0.22 0.00 -0.30 0.00 0.00 42.92 40.36 1xxi s ASP 27 CO 0.36 -1.05 1.82 -0.65 -0.17 0.00 0.00 175.17 175.48 1xxi h PRO 28 N 9.24 0.69 0.04 4.34 0.11 -1.96 -1.52 132.00 142.94 1xxi h PRO 28 Ca -0.27 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 1xxi h PRO 28 Cb 1.10 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1xxi h PRO 28 CO 1.02 0.46 -0.02 1.25 -0.21 0.00 0.00 178.00 180.50 1xxi h LEU 29 N 0.71 -0.04 -0.43 2.35 5.85 -1.97 -2.70 115.31 119.08 1xxi h LEU 29 Ca 0.29 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.69 1xxi h LEU 29 Cb 0.14 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1xxi h LEU 29 CO -0.16 0.37 0.07 -0.07 -0.34 0.00 0.00 178.44 178.31 1xxi h LEU 30 N -0.47 -0.02 -0.04 2.25 3.38 -1.93 -1.18 115.31 117.30 1xxi h LEU 30 Ca -0.01 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1xxi h LEU 30 Cb 0.43 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1xxi h LEU 30 CO 0.01 0.02 -0.19 -0.07 0.09 0.00 0.00 178.44 178.30 1xxi h LEU 31 N 0.20 -0.57 -0.47 1.67 3.38 -1.29 -2.14 115.31 116.08 1xxi h LEU 31 Ca 0.21 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.30 1xxi h LEU 31 Cb 0.27 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1xxi h LEU 31 CO -0.29 -0.25 0.26 1.56 0.09 0.00 0.00 178.44 179.81 1xxi h GLN 32 N -0.29 0.51 -0.62 1.13 1.08 -1.12 0.44 115.11 116.24 1xxi h GLN 32 Ca 0.07 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 1xxi h GLN 32 Cb 0.39 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 1xxi h GLN 32 CO -0.21 0.34 0.12 0.93 -0.95 0.00 0.00 178.83 179.06 1xxi h GLU 33 N 0.53 1.02 -0.33 1.46 5.08 -1.11 0.16 114.58 121.39 1xxi h GLU 33 Ca 0.20 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1xxi h GLU 33 Cb 0.05 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1xxi h GLU 33 CO -0.11 0.94 0.03 0.77 -1.00 0.00 0.00 179.01 179.64 1xxi h SER 34 N 0.93 0.55 -0.11 1.42 0.02 -1.12 0.59 113.55 115.82 1xxi h SER 34 Ca 0.19 -0.28 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1xxi h SER 34 Cb 0.40 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1xxi h SER 34 CO 0.01 0.70 -0.05 -0.61 -1.14 0.00 0.00 176.83 175.74 1xxi h GLN 35 N 0.39 -0.03 -0.85 3.45 4.15 -0.66 -0.86 115.11 120.69 1xxi h GLN 35 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1xxi h GLN 35 Cb 0.40 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.05 1xxi h GLN 35 CO 0.01 -0.02 0.55 -0.44 -1.93 0.00 0.00 178.83 176.99 1xxi h ASP 36 N -0.03 0.99 -0.72 -0.69 3.32 -0.50 -1.90 116.42 116.89 1xxi h ASP 36 Ca 0.06 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1xxi h ASP 36 Cb 0.12 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1xxi h ASP 36 CO -0.13 0.73 0.22 0.00 -1.72 0.00 0.00 179.24 178.34 1xxi h ALA 37 N 1.44 1.02 0.68 3.45 0.00 -0.21 0.59 119.26 126.21 1xxi h ALA 37 Ca 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1xxi h ALA 37 Cb -0.10 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.41 1xxi h ALA 37 CO -0.06 0.66 -0.33 0.28 0.00 0.00 0.00 179.25 179.80 1xxi h VAL 38 N 1.08 0.00 -0.78 0.00 2.07 -0.54 -2.99 116.25 115.10 1xxi h VAL 38 Ca 0.23 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1xxi h VAL 38 Cb 0.31 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.01 1xxi h VAL 38 CO -0.01 0.00 0.42 0.03 0.02 0.00 0.00 177.57 178.04 1xxi h ARG 39 N -1.17 0.69 -0.70 1.57 3.08 -1.38 -0.03 114.38 116.44 1xxi h ARG 39 Ca -0.09 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.01 1xxi h ARG 39 Cb 0.70 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 1xxi h ARG 39 CO 0.15 0.46 0.46 0.37 -1.07 0.00 0.00 179.97 180.34 1xxi h GLN 40 N 0.71 0.57 0.01 0.04 -0.00 -0.94 0.20 115.11 115.70 1xxi h GLN 40 Ca 0.38 -0.03 -0.19 0.00 -0.00 0.00 0.00 58.65 58.80 1xxi h GLN 40 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 27.48 27.70 1xxi h GLN 40 CO -0.26 0.37 -0.88 0.28 0.00 0.00 0.00 178.83 178.35 1xxi h VAL 41 N 0.58 1.56 0.13 2.39 2.07 -0.90 -3.23 116.25 118.86 1xxi h VAL 41 Ca 0.32 -2.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.01 1xxi h VAL 41 Cb 0.48 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1xxi h VAL 41 CO -0.11 0.81 -0.06 0.00 0.02 0.00 0.00 177.57 178.23 1xxi h ALA 42 N 1.05 -0.17 0.00 1.67 0.00 0.23 -3.13 119.26 118.91 1xxi h ALA 42 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xxi h ALA 42 Cb 1.53 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1xxi h ALA 42 CO 0.12 -0.24 0.22 0.00 0.00 0.00 0.00 179.25 179.35 1xxi h ALA 43 N -0.31 1.19 -0.02 0.00 0.00 -0.83 1.20 119.26 120.48 1xxi h ALA 43 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1xxi h ALA 43 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1xxi h ALA 43 CO 0.03 -0.19 -0.75 0.00 0.00 0.00 0.00 179.25 178.34 1xxi h ALA 44 N 1.49 0.69 0.17 0.00 0.00 -1.55 -3.35 119.26 116.70 1xxi h ALA 44 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1xxi h ALA 44 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xxi h ALA 44 CO 0.00 0.85 -0.08 1.96 0.00 0.00 0.00 179.25 181.98 1xxi h GLN 45 N 0.10 -0.21 0.00 0.00 1.08 0.15 -3.47 115.11 112.75 1xxi h GLN 45 Ca -0.02 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1xxi h GLN 45 Cb 1.32 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.80 1xxi h GLN 45 CO 0.11 -0.14 0.00 0.41 -0.95 0.00 0.00 178.83 178.26 1xxi n GLY 46 N 0.51 0.00 3.58 3.46 0.00 -1.09 -4.92 105.19 106.73 1xxi n GLY 46 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1xxi n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xxi s PHE 47 N 0.00 2.54 -0.06 1.61 0.40 0.75 -4.28 117.98 118.94 1xxi s PHE 47 Ca 0.00 -1.00 -0.17 0.00 -0.60 0.00 0.00 56.93 55.16 1xxi s PHE 47 Cb 0.00 -4.57 -0.12 0.00 0.51 0.00 0.00 43.02 38.84 1xxi s PHE 47 CO 0.00 -1.71 0.68 1.05 0.70 0.00 0.00 175.22 175.94 1xxi h GLU 48 N 8.50 -0.25 -6.84 0.44 4.11 -1.91 -3.39 114.58 115.25 1xxi h GLU 48 Ca 0.35 0.02 -0.50 0.00 0.07 0.00 0.00 59.36 59.30 1xxi h GLU 48 Cb 0.91 0.06 0.02 0.00 0.50 0.00 0.00 28.75 30.23 1xxi h GLU 48 CO 1.40 0.10 0.45 -1.21 0.07 0.00 0.00 179.01 179.82 1xxi s GLU 49 N -3.05 4.54 -0.01 1.06 0.41 -1.26 -5.03 118.70 115.36 1xxi s GLU 49 Ca -0.10 1.72 0.01 0.00 -0.41 0.00 0.00 54.97 56.20 1xxi s GLU 49 Cb 0.00 -3.05 0.00 0.00 -1.78 0.00 0.00 34.13 29.31 1xxi s GLU 49 CO 0.36 0.15 -0.05 -1.01 -0.49 0.00 0.00 175.26 174.22 1xxi s HIS 50 N -1.27 0.48 0.02 1.61 3.76 -1.26 -2.98 115.29 115.65 1xxi s HIS 50 Ca 0.47 -0.09 0.02 0.00 -0.15 0.00 0.00 55.06 55.31 1xxi s HIS 50 Cb -0.29 -0.35 -0.01 0.00 1.11 0.00 0.00 32.58 33.03 1xxi s HIS 50 CO 0.38 -0.04 -0.07 -1.01 -0.85 0.00 0.00 174.74 173.14 1xxi s HIS 51 N 0.11 0.63 0.02 1.40 3.76 -1.04 -5.02 115.29 115.16 1xxi s HIS 51 Ca -0.01 -0.27 0.02 0.00 -0.15 0.00 0.00 55.06 54.65 1xxi s HIS 51 Cb -0.05 -0.39 -0.02 0.00 1.11 0.00 0.00 32.58 33.24 1xxi s HIS 51 CO -0.00 -0.03 -0.06 0.99 -0.85 0.00 0.00 174.74 174.78 1xxi s THR 52 N -0.68 0.46 0.20 1.30 2.01 -1.26 0.50 115.64 118.18 1xxi s THR 52 Ca -0.03 -0.74 0.10 0.00 0.31 0.00 0.00 61.69 61.34 1xxi s THR 52 Cb -0.06 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 1xxi s THR 52 CO 0.00 -0.20 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.17 1xxi s PHE 53 N -0.89 2.05 -1.00 4.92 0.40 0.74 -4.91 117.98 119.29 1xxi s PHE 53 Ca -0.06 -0.42 -0.05 0.00 -0.60 0.00 0.00 56.93 55.81 1xxi s PHE 53 Cb -0.07 -0.99 0.26 0.00 0.51 0.00 0.00 43.02 42.73 1xxi s PHE 53 CO 0.00 0.46 1.01 -1.13 0.70 0.00 0.00 175.22 176.26 1xxi n SER 54 N 0.06 5.01 -3.02 1.36 3.41 -1.26 -3.63 113.62 115.54 1xxi n SER 54 Ca -0.11 -3.14 -0.33 0.00 -0.26 0.00 0.00 58.87 55.03 1xxi n SER 54 Cb 0.58 -1.20 -0.05 0.00 -0.26 0.00 0.00 64.21 63.28 1xxi n SER 54 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1xxi n ILE 55 N 2.26 4.23 0.00 -1.33 5.41 -1.23 -3.79 119.36 124.92 1xxi n ILE 55 Ca 0.24 -2.95 0.00 0.00 1.00 0.00 0.00 62.75 61.03 1xxi n ILE 55 Cb 0.37 -2.22 0.00 0.00 -0.71 0.00 0.00 39.64 37.09 1xxi n ILE 55 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1xxi n ASP 56 N 2.49 0.30 0.03 4.38 8.00 -1.26 -4.35 116.55 126.14 1xxi n ASP 56 Ca 0.64 0.00 0.04 0.00 0.71 0.00 0.00 54.79 56.18 1xxi n ASP 56 Cb 0.40 0.00 0.43 0.00 -0.02 0.00 0.00 41.12 41.93 1xxi n ASP 56 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1xxi h PRO 57 N 0.00 0.47 0.00 -0.24 0.11 -2.00 -3.45 132.00 126.89 1xxi h PRO 57 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1xxi h PRO 57 Cb 0.87 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1xxi h PRO 57 CO 0.00 0.34 0.00 0.09 -0.21 0.00 0.00 178.00 178.22 1xxi n ASN 58 N -4.46 -0.48 -4.65 -2.05 3.02 -1.26 -4.85 115.26 100.53 1xxi n ASN 58 Ca 0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.15 1xxi n ASN 58 Cb 0.09 -2.45 -0.03 0.00 -0.61 0.00 0.00 39.78 36.77 1xxi n ASN 58 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xxi s THR 59 N -1.14 3.17 -0.06 3.41 2.01 -1.26 -4.28 115.64 117.48 1xxi s THR 59 Ca 0.00 0.21 -0.05 0.00 0.31 0.00 0.00 61.69 62.16 1xxi s THR 59 Cb 0.00 -3.14 0.02 0.00 0.01 0.00 0.00 72.50 69.39 1xxi s THR 59 CO 0.00 -0.03 0.09 0.47 -0.69 0.00 0.00 174.62 174.46 1xxi n ASP 60 N 7.82 -2.13 0.23 3.53 9.92 -1.26 -4.76 116.55 129.91 1xxi n ASP 60 Ca 0.20 0.67 0.13 0.00 -0.53 0.00 0.00 54.79 55.25 1xxi n ASP 60 Cb 0.42 -2.94 0.36 0.00 -0.64 0.00 0.00 41.12 38.31 1xxi n ASP 60 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 1xxi h TRP 61 N 1.89 0.00 0.00 1.24 6.55 -2.01 -2.44 115.95 121.17 1xxi h TRP 61 Ca -0.21 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.63 1xxi h TRP 61 Cb 0.47 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.77 1xxi h TRP 61 CO 0.00 0.07 0.15 -0.97 -1.05 0.00 0.00 178.44 176.64 1xxi h ASN 62 N 0.00 0.00 0.37 -3.49 -1.24 -1.94 0.87 115.58 110.15 1xxi h ASN 62 Ca -0.00 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.69 1xxi h ASN 62 Cb 0.85 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.91 1xxi h ASN 62 CO 0.01 0.00 -1.52 0.00 -1.29 0.00 0.00 177.43 174.63 1xxi h ALA 63 N 1.66 0.10 -0.25 1.57 0.00 -1.73 -1.41 119.26 119.19 1xxi h ALA 63 Ca 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 54.91 53.85 1xxi h ALA 63 Cb 0.30 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xxi h ALA 63 CO 0.00 0.97 -0.01 0.82 0.00 0.00 0.00 179.25 181.02 1xxi h ILE 64 N 0.10 1.26 0.47 0.00 5.03 0.51 -0.91 117.51 123.97 1xxi h ILE 64 Ca -0.25 -0.94 -0.02 0.00 -0.12 0.00 0.00 64.86 63.52 1xxi h ILE 64 Cb 2.07 1.38 0.00 0.00 -3.03 0.00 0.00 36.82 37.25 1xxi h ILE 64 CO 0.20 0.30 -0.23 -0.26 -0.68 0.00 0.00 178.15 177.48 1xxi h PHE 65 N 0.22 -0.58 -1.60 1.37 -1.00 -0.97 0.13 116.94 114.51 1xxi h PHE 65 Ca 0.07 -0.01 0.51 0.00 2.81 0.00 0.00 57.97 61.35 1xxi h PHE 65 Cb 0.44 0.19 -0.12 0.00 3.61 0.00 0.00 35.95 40.08 1xxi h PHE 65 CO 0.04 -0.36 1.09 0.45 -1.61 0.00 0.00 178.31 177.91 1xxi n SER 66 N -3.91 0.13 0.21 2.17 2.88 -0.53 0.33 113.62 114.90 1xxi n SER 66 Ca -0.08 1.23 -0.09 0.00 -1.33 0.00 0.00 58.87 58.60 1xxi n SER 66 Cb 0.25 -0.61 -0.04 0.00 -0.75 0.00 0.00 64.21 63.06 1xxi n SER 66 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1xxi h LEU 67 N 0.00 -0.49 -1.84 2.46 5.85 -0.50 -2.88 115.31 117.91 1xxi h LEU 67 Ca 0.90 0.02 0.41 0.00 0.84 0.00 0.00 57.88 60.04 1xxi h LEU 67 Cb 3.18 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 44.27 1xxi h LEU 67 CO -0.29 -0.15 0.98 0.00 -0.34 0.00 0.00 178.44 178.64 1xxi h GLN 69 N 0.06 0.05 0.00 0.00 4.20 -1.29 -0.88 115.11 117.25 1xxi h GLN 69 Ca 0.70 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.37 1xxi h GLN 69 Cb 2.61 0.01 0.00 0.00 0.30 0.00 0.00 27.48 30.39 1xxi h GLN 69 CO -0.10 0.68 0.00 0.00 -0.67 0.00 0.00 178.83 178.74 1xxi n ALA 70 N -2.44 1.10 0.12 3.87 0.00 0.83 0.18 120.51 124.18 1xxi n ALA 70 Ca -0.09 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.57 1xxi n ALA 70 Cb 0.34 -1.20 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 1xxi n ALA 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1xxi n MET 71 N -1.94 0.57 -0.10 0.00 2.81 -0.35 -3.14 117.12 114.98 1xxi n MET 71 Ca -0.00 -0.16 0.03 0.00 -1.81 0.00 0.00 57.70 55.76 1xxi n MET 71 Cb 0.04 -1.53 0.08 0.00 -0.71 0.00 0.00 33.22 31.10 1xxi n MET 71 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1xxi n SER 72 N -2.18 2.50 -0.00 7.83 7.64 0.42 -4.57 113.62 125.26 1xxi n SER 72 Ca -0.03 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.80 1xxi n SER 72 Cb 0.54 -0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 63.60 1xxi n SER 72 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1xxi n LEU 73 N -0.04 0.02 -4.72 -3.43 4.77 0.48 -4.99 117.00 109.09 1xxi n LEU 73 Ca 0.06 -0.20 -0.39 0.00 -0.03 0.00 0.00 56.01 55.45 1xxi n LEU 73 Cb 0.36 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1xxi n LEU 73 CO 0.04 0.00 0.35 0.12 -1.33 0.00 0.00 177.39 176.57 1xxi s PHE 74 N -1.67 3.57 -0.25 -1.77 5.36 -1.19 -5.00 117.98 117.03 1xxi s PHE 74 Ca -0.00 1.17 0.18 0.00 -0.96 0.00 0.00 56.93 57.32 1xxi s PHE 74 Cb 0.01 -2.75 0.15 0.00 -0.34 0.00 0.00 43.02 40.09 1xxi s PHE 74 CO 0.03 0.11 1.50 0.00 -1.46 0.00 0.00 175.22 175.40 1xxi h ALA 75 N 6.72 0.78 -3.47 11.12 0.00 -1.93 -3.48 119.26 129.00 1xxi h ALA 75 Ca -0.41 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1xxi h ALA 75 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xxi h ALA 75 CO 0.75 0.43 0.00 -1.13 0.00 0.00 0.00 179.25 179.30 1xxi n SER 76 N -3.18 1.35 -4.55 0.00 3.41 -1.26 -5.03 113.62 104.36 1xxi n SER 76 Ca 0.03 -0.70 -0.27 0.00 -0.26 0.00 0.00 58.87 57.67 1xxi n SER 76 Cb 0.67 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.55 1xxi n SER 76 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xxi n ARG 77 N 0.00 0.71 -4.10 4.33 1.74 -1.26 -4.80 116.66 113.29 1xxi n ARG 77 Ca 0.00 -0.32 -0.22 0.00 -0.77 0.00 0.00 57.85 56.54 1xxi n ARG 77 Cb 0.00 -3.23 -0.05 0.00 -1.02 0.00 0.00 32.46 28.15 1xxi n ARG 77 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1xxi s GLN 78 N 8.51 2.60 -0.22 5.56 -0.21 -1.26 0.27 119.66 134.91 1xxi s GLN 78 Ca 1.01 -1.31 -0.09 0.00 0.02 0.00 0.00 55.36 55.00 1xxi s GLN 78 Cb -0.29 -2.36 0.09 0.00 1.00 0.00 0.00 33.01 31.46 1xxi s GLN 78 CO 0.23 0.27 0.48 -0.08 -2.12 0.00 0.00 175.29 174.07 1xxi s THR 79 N -2.28 -0.56 -0.04 -0.19 -1.32 -1.16 -0.78 115.64 109.32 1xxi s THR 79 Ca 0.35 0.11 -0.02 0.00 -1.21 0.00 0.00 61.69 60.92 1xxi s THR 79 Cb -0.06 -0.75 -0.04 0.00 -1.51 0.00 0.00 72.50 70.15 1xxi s THR 79 CO 0.23 0.05 0.06 -0.76 -2.21 0.00 0.00 174.62 171.99 1xxi s LEU 80 N 2.38 3.86 -0.29 9.08 1.43 0.27 -2.49 118.68 132.91 1xxi s LEU 80 Ca -0.05 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1xxi s LEU 80 Cb -0.11 -2.12 0.06 0.00 0.03 0.00 0.00 46.19 44.05 1xxi s LEU 80 CO -0.15 0.32 -0.03 -0.22 0.23 0.00 0.00 176.35 176.51 1xxi s LEU 81 N -1.41 3.84 -0.19 1.79 2.96 0.18 -0.52 118.68 125.32 1xxi s LEU 81 Ca 0.19 -1.38 -0.21 0.00 -0.22 0.00 0.00 54.13 52.50 1xxi s LEU 81 Cb -0.12 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 1xxi s LEU 81 CO 0.09 -0.25 0.66 -0.76 -1.32 0.00 0.00 176.35 174.77 1xxi s LEU 82 N 1.18 4.15 -0.43 -0.68 1.02 0.16 -0.18 118.68 123.89 1xxi s LEU 82 Ca -0.05 0.88 -0.16 0.00 0.02 0.00 0.00 54.13 54.82 1xxi s LEU 82 Cb -0.20 -2.93 0.03 0.00 0.02 0.00 0.00 46.19 43.11 1xxi s LEU 82 CO -0.03 -0.29 0.38 -0.76 0.02 0.00 0.00 176.35 175.67 1xxi s LEU 83 N 1.94 5.14 0.59 1.79 1.43 -1.24 -0.80 118.68 127.53 1xxi s LEU 83 Ca 0.30 -0.92 -0.18 0.00 -1.03 0.00 0.00 54.13 52.30 1xxi s LEU 83 Cb -0.16 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 1xxi s LEU 83 CO 0.11 -0.56 1.14 -0.76 0.23 0.00 0.00 176.35 176.51 1xxi s LEU 84 N 1.86 3.61 0.97 1.79 1.02 -0.11 -3.50 118.68 124.32 1xxi s LEU 84 Ca 0.07 2.16 -0.11 0.00 0.02 0.00 0.00 54.13 56.28 1xxi s LEU 84 Cb -0.20 -4.57 0.18 0.00 0.02 0.00 0.00 46.19 41.62 1xxi s LEU 84 CO 0.10 -1.44 1.13 -2.84 0.02 0.00 0.00 176.35 173.32 1xxi s PRO 85 N -3.57 0.59 0.17 1.29 0.02 -1.26 -4.81 135.00 127.43 1xxi s PRO 85 Ca 0.72 1.44 -0.13 0.00 0.02 0.00 0.00 61.00 63.04 1xxi s PRO 85 Cb -0.24 -1.69 0.07 0.00 0.02 0.00 0.00 34.50 32.66 1xxi s PRO 85 CO 0.33 -2.89 1.78 0.93 -0.33 0.00 0.00 177.00 176.82 1xxi h GLU 86 N -2.05 0.78 -0.00 5.54 5.08 -1.96 -2.99 114.58 118.97 1xxi h GLU 86 Ca -0.47 -0.09 -0.20 0.00 -1.00 0.00 0.00 59.36 57.60 1xxi h GLU 86 Cb 1.28 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1xxi h GLU 86 CO 0.43 0.60 -0.87 -0.91 -1.00 0.00 0.00 179.01 177.26 1xxi h ASN 87 N 0.75 0.31 -3.85 1.42 2.35 -2.03 -3.46 115.58 111.07 1xxi h ASN 87 Ca 0.20 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1xxi h ASN 87 Cb 0.06 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1xxi h ASN 87 CO -0.03 1.04 0.00 0.61 -1.65 0.00 0.00 177.43 177.40 1xxi n GLY 88 N 0.85 3.55 3.67 2.83 0.00 -1.13 -5.02 105.19 109.93 1xxi n GLY 88 Ca -0.04 -1.63 -0.50 0.00 0.00 0.00 0.00 46.02 43.85 1xxi n GLY 88 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xxi n PRO 89 N -1.96 1.81 -0.72 1.61 -0.02 -1.26 -4.48 135.00 129.97 1xxi n PRO 89 Ca 0.00 0.66 -0.04 0.00 -2.02 0.00 0.00 63.50 62.10 1xxi n PRO 89 Cb 0.00 -2.42 0.03 0.00 -0.02 0.00 0.00 33.50 31.09 1xxi n PRO 89 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1xxi n ASN 90 N 4.64 0.15 -0.18 2.55 0.23 -1.26 -4.85 115.26 116.55 1xxi n ASN 90 Ca 0.21 -1.16 -0.02 0.00 -0.53 0.00 0.00 54.58 53.08 1xxi n ASN 90 Cb 0.25 -0.14 0.08 0.00 -2.08 0.00 0.00 39.78 37.89 1xxi n ASN 90 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xxi h ALA 91 N -1.03 0.68 -0.20 -2.53 0.00 -2.02 -2.72 119.26 111.43 1xxi h ALA 91 Ca -0.06 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1xxi h ALA 91 Cb 0.21 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xxi h ALA 91 CO 0.06 -0.19 -0.12 0.00 0.00 0.00 0.00 179.25 179.00 1xxi h ALA 92 N 1.36 0.29 -0.75 0.00 0.00 -2.00 -3.26 119.26 114.89 1xxi h ALA 92 Ca 0.26 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1xxi h ALA 92 Cb 0.29 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 1xxi h ALA 92 CO -0.26 0.15 0.39 0.82 0.00 0.00 0.00 179.25 180.34 1xxi h ILE 93 N 0.13 0.84 -0.72 0.00 2.04 -1.88 -1.47 117.51 116.45 1xxi h ILE 93 Ca 0.04 -0.22 0.21 0.00 1.00 0.00 0.00 64.86 65.89 1xxi h ILE 93 Cb 0.63 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1xxi h ILE 93 CO 0.03 0.12 0.73 0.78 0.00 0.00 0.00 178.15 179.81 1xxi h ASN 94 N 0.64 0.00 0.07 1.72 2.35 -1.53 0.25 115.58 119.07 1xxi h ASN 94 Ca 0.38 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.94 1xxi h ASN 94 Cb 0.41 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1xxi h ASN 94 CO -0.28 0.00 -0.95 -0.33 -1.65 0.00 0.00 177.43 174.22 1xxi h GLU 95 N 0.00 0.15 -0.31 0.81 5.08 -1.42 -2.76 114.58 116.13 1xxi h GLU 95 Ca 0.34 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1xxi h GLU 95 Cb 1.81 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.13 1xxi h GLU 95 CO -0.00 1.12 0.05 1.96 -1.00 0.00 0.00 179.01 181.13 1xxi h GLN 96 N -0.62 0.45 -0.15 2.33 4.20 -0.83 0.30 115.11 120.79 1xxi h GLN 96 Ca -0.22 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.35 1xxi h GLN 96 Cb 1.47 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.17 1xxi h GLN 96 CO 0.01 0.44 -0.19 -0.07 -0.67 0.00 0.00 178.83 178.35 1xxi h LEU 97 N 0.44 0.43 -0.93 1.46 4.07 -0.76 -2.47 115.31 117.56 1xxi h LEU 97 Ca 0.10 -0.51 0.08 0.00 0.08 0.00 0.00 57.88 57.64 1xxi h LEU 97 Cb 0.22 -0.12 -0.07 0.00 1.08 0.00 0.00 40.66 41.77 1xxi h LEU 97 CO 0.00 0.85 0.58 0.25 -1.08 0.00 0.00 178.44 179.04 1xxi h LEU 98 N 0.01 0.88 -0.95 1.67 7.12 -0.93 0.27 115.31 123.38 1xxi h LEU 98 Ca 0.02 0.03 -0.06 0.00 0.13 0.00 0.00 57.88 58.00 1xxi h LEU 98 Cb 0.75 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.70 1xxi h LEU 98 CO 0.05 0.53 0.14 0.74 -0.13 0.00 0.00 178.44 179.76 1xxi h THR 99 N 1.00 1.24 -0.23 1.05 2.02 -0.40 -2.81 112.91 114.78 1xxi h THR 99 Ca 0.42 -0.86 -0.19 0.00 0.77 0.00 0.00 66.41 66.55 1xxi h THR 99 Cb 0.28 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1xxi h THR 99 CO -0.21 0.32 -0.62 -0.07 0.37 0.00 0.00 175.52 175.31 1xxi h LEU 100 N 0.86 0.90 -2.60 2.58 3.38 -0.48 -2.99 115.31 116.96 1xxi h LEU 100 Ca 0.19 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.65 1xxi h LEU 100 Cb 0.32 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xxi h LEU 100 CO -0.00 1.30 0.12 0.00 0.09 0.00 0.00 178.44 179.95 1xxi h THR 101 N 0.59 0.09 -0.53 0.22 1.03 -0.31 0.42 112.91 114.42 1xxi h THR 101 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 66.26 1xxi h THR 101 Cb 1.22 0.89 -0.08 0.00 -1.07 0.00 0.00 68.15 69.11 1xxi h THR 101 CO 0.13 0.00 0.17 0.61 -0.01 0.00 0.00 175.52 176.42 1xxi n GLY 102 N -1.17 3.02 0.25 2.99 0.00 -1.13 -3.52 105.19 105.63 1xxi n GLY 102 Ca -0.02 -0.71 0.03 0.00 0.00 0.00 0.00 46.02 45.31 1xxi n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xxi n LEU 103 N 0.05 1.79 -4.76 0.99 4.32 0.15 -5.04 117.00 114.50 1xxi n LEU 103 Ca 0.28 -1.33 -0.34 0.00 -0.02 0.00 0.00 56.01 54.60 1xxi n LEU 103 Cb 1.09 -0.04 0.04 0.00 -1.62 0.00 0.00 43.42 42.89 1xxi n LEU 103 CO 0.31 0.41 0.79 -0.76 -1.22 0.00 0.00 177.39 176.92 1xxi s LEU 104 N -0.64 3.52 -0.20 2.23 1.43 -1.23 -4.96 118.68 118.83 1xxi s LEU 104 Ca 0.08 2.21 -0.35 0.00 -1.03 0.00 0.00 54.13 55.04 1xxi s LEU 104 Cb 0.05 -4.58 0.14 0.00 0.03 0.00 0.00 46.19 41.83 1xxi s LEU 104 CO 0.07 -1.66 1.23 -1.38 0.23 0.00 0.00 176.35 174.84 1xxi s HIS 105 N -1.95 -0.12 0.60 0.29 -3.43 -1.26 -5.02 115.29 104.40 1xxi s HIS 105 Ca 0.72 0.07 0.29 0.00 -0.80 0.00 0.00 55.06 55.34 1xxi s HIS 105 Cb -0.25 0.51 1.48 0.00 -1.43 0.00 0.00 32.58 32.89 1xxi s HIS 105 CO 0.37 -0.19 1.89 -0.44 -2.00 0.00 0.00 174.74 174.37 1xxi h ASP 106 N 2.00 0.00 -2.42 7.38 3.32 -1.99 -3.23 116.42 121.49 1xxi h ASP 106 Ca -0.08 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.25 1xxi h ASP 106 Cb 1.16 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.38 1xxi h ASP 106 CO 0.22 0.00 0.27 0.47 -1.72 0.00 0.00 179.24 178.49 1xxi n ASP 107 N -3.61 5.77 0.00 6.45 8.00 -1.26 -4.89 116.55 127.01 1xxi n ASP 107 Ca 0.07 -3.57 0.00 0.00 0.71 0.00 0.00 54.79 52.00 1xxi n ASP 107 Cb 0.65 -0.96 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 1xxi n ASP 107 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1xxi n LEU 108 N 0.43 0.00 -4.69 0.64 0.00 -1.22 -4.60 117.00 107.56 1xxi n LEU 108 Ca 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.93 1xxi n LEU 108 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.73 1xxi n LEU 108 CO 0.51 0.00 0.80 -0.22 0.00 0.00 0.00 177.39 178.49 1xxi s LEU 109 N 0.00 4.25 -0.09 -1.96 0.20 0.04 -4.80 118.68 116.32 1xxi s LEU 109 Ca 0.00 1.55 -0.03 0.00 0.69 0.00 0.00 54.13 56.34 1xxi s LEU 109 Cb 0.00 -3.56 -0.04 0.00 -0.43 0.00 0.00 46.19 42.17 1xxi s LEU 109 CO 0.00 -0.46 0.05 -0.22 -0.29 0.00 0.00 176.35 175.43 1xxi s LEU 110 N 2.03 3.84 -0.05 -0.68 2.96 -1.12 0.94 118.68 126.60 1xxi s LEU 110 Ca 0.49 0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1xxi s LEU 110 Cb -0.19 -1.92 0.03 0.00 0.50 0.00 0.00 46.19 44.61 1xxi s LEU 110 CO 0.18 0.38 0.01 -0.63 -1.32 0.00 0.00 176.35 174.98 1xxi s ILE 111 N -0.95 0.22 0.02 6.68 1.01 0.32 -1.89 121.20 126.61 1xxi s ILE 111 Ca 0.14 0.18 0.06 0.00 0.00 0.00 0.00 60.65 61.03 1xxi s ILE 111 Cb -0.12 -0.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 1xxi s ILE 111 CO 0.04 0.21 -0.14 -0.69 0.00 0.00 0.00 174.94 174.35 1xxi s VAL 112 N 1.74 3.07 -0.13 2.92 1.01 -0.46 0.36 120.40 128.91 1xxi s VAL 112 Ca 0.01 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 60.87 1xxi s VAL 112 Cb -0.13 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 34.00 1xxi s VAL 112 CO -0.04 0.37 0.32 0.00 0.00 0.00 0.00 175.10 175.75 1xxi s ARG 113 N -1.38 0.32 0.00 2.72 1.70 0.02 0.09 118.95 122.42 1xxi s ARG 113 Ca 0.15 0.56 -0.04 0.00 -0.47 0.00 0.00 55.73 55.93 1xxi s ARG 113 Cb -0.11 0.03 0.01 0.00 -0.57 0.00 0.00 34.95 34.31 1xxi s ARG 113 CO 0.06 -0.11 0.17 0.41 -1.08 0.00 0.00 175.30 174.74 1xxi n GLY 114 N 3.69 0.76 2.45 3.88 0.00 -0.12 -0.93 105.19 114.91 1xxi n GLY 114 Ca -0.20 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 44.74 1xxi n GLY 114 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xxi n ASN 115 N -0.39 -0.38 -4.75 1.61 0.23 -1.13 0.27 115.26 110.71 1xxi n ASN 115 Ca 0.00 -1.22 -0.41 0.00 -0.53 0.00 0.00 54.58 52.42 1xxi n ASN 115 Cb 0.08 -0.66 -0.02 0.00 -2.08 0.00 0.00 39.78 37.10 1xxi n ASN 115 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1xxi s LYS 116 N -4.82 4.18 0.26 -3.83 -2.85 -1.26 -3.96 119.74 107.47 1xxi s LYS 116 Ca 0.48 2.47 -0.10 0.00 -1.00 0.00 0.00 55.97 57.82 1xxi s LYS 116 Cb -0.02 -3.05 -0.07 0.00 -2.06 0.00 0.00 37.83 32.63 1xxi s LYS 116 CO 0.35 -0.53 0.59 -0.51 0.10 0.00 0.00 175.35 175.35 1xxi s LEU 117 N -0.65 4.12 0.47 2.77 1.43 -1.26 -4.93 118.68 120.63 1xxi s LEU 117 Ca 0.60 0.97 -0.20 0.00 -1.03 0.00 0.00 54.13 54.48 1xxi s LEU 117 Cb -0.45 -3.75 -0.10 0.00 0.03 0.00 0.00 46.19 41.92 1xxi s LEU 117 CO 0.48 -0.12 0.98 -0.94 0.23 0.00 0.00 176.35 176.98 1xxi s SER 118 N -2.45 6.71 0.63 2.29 1.04 -1.26 -4.86 113.70 115.80 1xxi s SER 118 Ca 0.48 1.71 0.24 0.00 0.48 0.00 0.00 55.95 58.87 1xxi s SER 118 Cb -0.11 -2.54 1.20 0.00 0.10 0.00 0.00 66.02 64.67 1xxi s SER 118 CO 0.22 -0.52 1.66 0.07 0.98 0.00 0.00 173.24 175.64 1xxi h LYS 119 N 1.56 0.00 0.08 4.02 -0.00 -1.98 0.16 116.57 120.41 1xxi h LYS 119 Ca -0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.16 1xxi h LYS 119 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.42 1xxi h LYS 119 CO 0.61 0.00 -0.04 0.00 -0.00 0.00 0.00 179.45 180.02 1xxi h ALA 120 N 1.03 -0.10 0.00 0.07 0.00 -2.03 -3.24 119.26 114.99 1xxi h ALA 120 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xxi h ALA 120 Cb 1.42 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1xxi h ALA 120 CO -0.00 -0.10 0.32 1.96 0.00 0.00 0.00 179.25 181.43 1xxi h GLN 121 N -1.01 0.00 -0.00 0.00 4.20 -1.09 0.33 115.11 117.54 1xxi h GLN 121 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1xxi h GLN 121 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1xxi h GLN 121 CO 0.02 0.00 -0.14 0.39 -0.67 0.00 0.00 178.83 178.43 1xxi n GLU 122 N -2.61 0.60 0.03 1.46 1.02 -0.54 -3.59 120.64 117.01 1xxi n GLU 122 Ca -0.02 -0.22 0.01 0.00 -0.02 0.00 0.00 57.16 56.91 1xxi n GLU 122 Cb 0.36 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.20 1xxi n GLU 122 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xxi n ASN 123 N -1.01 0.76 -4.70 1.62 3.02 0.10 -4.55 115.26 110.51 1xxi n ASN 123 Ca 0.13 0.33 -0.65 0.00 -0.03 0.00 0.00 54.58 54.37 1xxi n ASN 123 Cb 0.29 0.32 -0.09 0.00 -0.61 0.00 0.00 39.78 39.69 1xxi n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xxi n ALA 124 N -2.40 -1.53 -0.09 5.41 0.00 -1.24 -4.51 120.51 116.16 1xxi n ALA 124 Ca -0.10 0.50 0.02 0.00 0.00 0.00 0.00 53.44 53.85 1xxi n ALA 124 Cb 0.83 -1.95 0.04 0.00 0.00 0.00 0.00 19.45 18.37 1xxi n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xxi n ALA 125 N 3.77 0.06 -0.01 0.00 0.00 -1.26 0.13 120.51 123.21 1xxi n ALA 125 Ca 0.28 0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.89 1xxi n ALA 125 Cb -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.23 1xxi n ALA 125 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1xxi h TRP 126 N 0.00 0.13 -0.18 0.00 5.08 -1.89 -1.95 115.95 117.15 1xxi h TRP 126 Ca 0.12 -0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.08 1xxi h TRP 126 Cb 0.19 -0.04 -0.01 0.00 -3.00 0.00 0.00 29.16 26.30 1xxi h TRP 126 CO -0.19 0.14 0.08 0.35 -1.28 0.00 0.00 178.44 177.54 1xxi h PHE 127 N 0.09 0.26 0.00 0.12 3.04 0.77 -2.73 116.94 118.48 1xxi h PHE 127 Ca 0.04 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1xxi h PHE 127 Cb 0.05 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.48 1xxi h PHE 127 CO -0.05 0.30 0.00 1.79 -2.02 0.00 0.00 178.31 178.33 1xxi h THR 128 N 0.15 0.00 -0.38 4.41 1.35 -1.46 -2.63 112.91 114.35 1xxi h THR 128 Ca 0.06 -0.33 -0.16 0.00 -0.55 0.00 0.00 66.41 65.43 1xxi h THR 128 Cb 0.14 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1xxi h THR 128 CO -0.01 0.00 -0.40 0.00 -0.25 0.00 0.00 175.52 174.87 1xxi h ALA 129 N 2.06 0.57 0.00 6.62 0.00 -1.03 -3.07 119.26 124.41 1xxi h ALA 129 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xxi h ALA 129 Cb 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xxi h ALA 129 CO 0.00 0.68 -0.39 -0.07 0.00 0.00 0.00 179.25 179.47 1xxi h LEU 130 N 0.76 0.00 0.00 0.00 3.38 -1.51 -3.40 115.31 114.55 1xxi h LEU 130 Ca 0.06 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1xxi h LEU 130 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1xxi h LEU 130 CO 0.10 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.69 1xxi n ALA 131 N -1.82 0.68 0.00 1.53 0.00 -1.01 -0.46 120.51 119.43 1xxi n ALA 131 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1xxi n ALA 131 Cb 0.44 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1xxi n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xxi n ASN 132 N -0.54 1.75 -0.03 0.00 5.15 -1.26 -1.93 115.26 118.40 1xxi n ASN 132 Ca 0.00 0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.80 1xxi n ASN 132 Cb 0.00 0.29 -0.14 0.00 -0.53 0.00 0.00 39.78 39.40 1xxi n ASN 132 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1xxi n ARG 133 N -0.70 0.71 -2.57 1.20 1.74 -0.01 -4.55 116.66 112.49 1xxi n ARG 133 Ca 0.00 0.23 -0.24 0.00 -0.77 0.00 0.00 57.85 57.07 1xxi n ARG 133 Cb 0.06 -1.67 0.11 0.00 -1.02 0.00 0.00 32.46 29.94 1xxi n ARG 133 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1xxi s SER 134 N -6.67 4.36 -0.04 0.55 1.04 0.39 -3.15 113.70 110.18 1xxi s SER 134 Ca -0.21 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 55.93 1xxi s SER 134 Cb 0.07 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1xxi s SER 134 CO 0.75 -1.85 -0.14 -0.69 0.98 0.00 0.00 173.24 172.29 1xxi s VAL 135 N -3.15 1.17 -0.19 5.02 1.01 0.16 -3.20 120.40 121.22 1xxi s VAL 135 Ca 0.66 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 1xxi s VAL 135 Cb -0.06 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1xxi s VAL 135 CO 0.44 0.35 -0.06 -1.58 0.00 0.00 0.00 175.10 174.26 1xxi s GLN 136 N 0.21 3.43 -0.29 2.72 0.74 -0.67 -1.50 119.66 124.31 1xxi s GLN 136 Ca -0.06 -0.62 -0.06 0.00 0.05 0.00 0.00 55.36 54.68 1xxi s GLN 136 Cb -0.11 -2.93 0.01 0.00 1.10 0.00 0.00 33.01 31.08 1xxi s GLN 136 CO 0.02 -0.04 0.06 0.08 -0.55 0.00 0.00 175.29 174.85 1xxi s VAL 137 N 1.08 3.81 -0.75 1.34 1.01 -0.46 -0.68 120.40 125.74 1xxi s VAL 137 Ca 0.01 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 61.00 1xxi s VAL 137 Cb -0.15 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.31 1xxi s VAL 137 CO -0.00 0.11 1.32 -0.89 0.00 0.00 0.00 175.10 175.64 1xxi s THR 138 N 1.48 3.71 -0.59 3.92 2.01 -0.50 -2.50 115.64 123.17 1xxi s THR 138 Ca 0.02 0.33 -0.17 0.00 0.31 0.00 0.00 61.69 62.19 1xxi s THR 138 Cb -0.17 -4.88 0.13 0.00 0.01 0.00 0.00 72.50 67.60 1xxi s THR 138 CO 0.01 -1.81 0.59 0.00 -0.69 0.00 0.00 174.62 172.72 1xxi s GLN 140 N 1.76 0.64 0.36 0.00 -1.52 -1.26 -2.07 119.66 117.57 1xxi s GLN 140 Ca 0.07 -0.40 -0.28 0.00 -1.95 0.00 0.00 55.36 52.81 1xxi s GLN 140 Cb -0.26 -0.59 -0.12 0.00 -0.22 0.00 0.00 33.01 31.82 1xxi s GLN 140 CO 0.02 0.15 1.35 2.41 -0.25 0.00 0.00 175.29 178.98 1xxi n THR 141 N 2.57 2.09 -1.92 -0.19 -1.04 -1.26 -4.82 114.28 109.71 1xxi n THR 141 Ca -0.15 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 60.94 1xxi n THR 141 Cb 0.57 -1.70 -0.02 0.00 -1.82 0.00 0.00 70.33 67.35 1xxi n THR 141 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1xxi s PRO 142 N -2.00 4.21 0.79 -2.82 0.02 -1.26 -5.05 135.00 128.88 1xxi s PRO 142 Ca 0.55 2.40 -0.11 0.00 0.02 0.00 0.00 61.00 63.86 1xxi s PRO 142 Cb -0.53 -3.11 0.07 0.00 0.02 0.00 0.00 34.50 30.95 1xxi s PRO 142 CO 0.62 -0.56 1.09 -1.21 -0.33 0.00 0.00 177.00 176.62 1xxi s GLU 143 N 0.27 2.12 0.44 5.54 8.01 -1.26 -4.49 118.70 129.33 1xxi s GLU 143 Ca 0.65 0.71 0.31 0.00 0.01 0.00 0.00 54.97 56.65 1xxi s GLU 143 Cb -0.44 -1.92 1.45 0.00 -4.31 0.00 0.00 34.13 28.91 1xxi s GLU 143 CO 0.39 -1.61 1.61 1.96 0.01 0.00 0.00 175.26 177.62 1xxi h GLN 144 N -1.09 0.06 0.11 1.61 4.20 -2.00 0.20 115.11 118.21 1xxi h GLN 144 Ca -0.47 -0.00 -0.27 0.00 0.06 0.00 0.00 58.65 57.97 1xxi h GLN 144 Cb 1.26 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.04 1xxi h GLN 144 CO 0.58 0.04 -1.19 0.00 -0.67 0.00 0.00 178.83 177.60 1xxi h ALA 145 N 1.58 0.13 -0.02 3.87 0.00 -1.97 -3.35 119.26 119.49 1xxi h ALA 145 Ca 0.84 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xxi h ALA 145 Cb 2.67 0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.49 1xxi h ALA 145 CO -0.41 0.87 -0.19 1.04 0.00 0.00 0.00 179.25 180.55 1xxi n GLN 146 N -3.64 1.78 -0.07 0.00 1.13 0.44 -4.15 117.38 112.87 1xxi n GLN 146 Ca -0.10 -1.44 -0.10 0.00 -1.94 0.00 0.00 57.00 53.43 1xxi n GLN 146 Cb 0.98 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.83 1xxi n GLN 146 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1xxi h LEU 147 N 3.51 0.31 -0.52 1.08 5.85 -0.91 0.57 115.31 125.20 1xxi h LEU 147 Ca 0.00 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1xxi h LEU 147 Cb 0.85 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1xxi h LEU 147 CO 0.00 0.30 0.14 -0.65 -0.34 0.00 0.00 178.44 177.89 1xxi h PRO 148 N 0.30 0.83 -0.90 5.25 0.11 -1.78 -1.66 132.00 134.14 1xxi h PRO 148 Ca 0.09 -0.19 0.03 0.00 0.11 0.00 0.00 66.00 66.04 1xxi h PRO 148 Cb 0.05 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 31.00 1xxi h PRO 148 CO -0.01 0.78 0.59 -0.09 -0.21 0.00 0.00 178.00 179.06 1xxi h ARG 149 N 0.72 1.11 -0.47 1.05 9.65 -1.58 0.48 114.38 125.35 1xxi h ARG 149 Ca 0.17 -0.07 -0.11 0.00 -1.10 0.00 0.00 59.98 58.87 1xxi h ARG 149 Cb 0.31 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1xxi h ARG 149 CO -0.00 0.74 -0.15 2.35 2.80 0.00 0.00 179.97 185.71 1xxi h TRP 150 N 1.15 1.05 -0.64 2.20 7.01 0.39 -1.07 115.95 126.05 1xxi h TRP 150 Ca 0.35 -0.24 -0.06 0.00 2.11 0.00 0.00 58.89 61.06 1xxi h TRP 150 Cb -0.02 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.76 1xxi h TRP 150 CO -0.00 1.03 0.17 0.28 -2.79 0.00 0.00 178.44 177.13 1xxi h VAL 151 N 0.77 1.24 -0.24 2.65 2.07 -0.47 -0.23 116.25 122.06 1xxi h VAL 151 Ca 0.11 -0.87 -0.13 0.00 0.82 0.00 0.00 66.70 66.63 1xxi h VAL 151 Cb 0.71 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1xxi h VAL 151 CO 0.05 0.33 -0.39 0.00 0.02 0.00 0.00 177.57 177.59 1xxi h ALA 152 N 1.24 0.88 -0.04 1.67 0.00 -0.70 0.06 119.26 122.38 1xxi h ALA 152 Ca 0.21 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1xxi h ALA 152 Cb 0.31 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xxi h ALA 152 CO -0.00 0.64 -0.04 0.00 0.00 0.00 0.00 179.25 179.84 1xxi h ALA 153 N 1.13 0.05 -0.65 0.00 0.00 -0.89 -1.20 119.26 117.70 1xxi h ALA 153 Ca 0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1xxi h ALA 153 Cb 0.88 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1xxi h ALA 153 CO 0.08 -0.15 0.25 -0.09 0.00 0.00 0.00 179.25 179.33 1xxi h ARG 154 N -0.39 0.96 -0.24 0.00 9.65 -1.01 -2.50 114.38 120.86 1xxi h ARG 154 Ca 0.00 -0.16 -0.16 0.00 -1.10 0.00 0.00 59.98 58.56 1xxi h ARG 154 Cb 0.57 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1xxi h ARG 154 CO 0.01 0.79 -0.48 0.00 2.80 0.00 0.00 179.97 183.10 1xxi h ALA 155 N 1.33 0.38 0.00 2.80 0.00 -1.01 -3.00 119.26 119.76 1xxi h ALA 155 Ca 0.22 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1xxi h ALA 155 Cb 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xxi h ALA 155 CO -0.02 0.54 -0.15 -0.22 0.00 0.00 0.00 179.25 179.40 1xxi h LYS 156 N 0.48 0.00 0.00 0.00 3.64 -0.84 -0.26 116.57 119.60 1xxi h LYS 156 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1xxi h LYS 156 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1xxi h LYS 156 CO 0.11 0.15 -0.01 -0.56 -2.27 0.00 0.00 179.45 176.87 1xxi h GLN 157 N 0.00 0.00 -0.45 1.90 3.07 -1.41 -2.46 115.11 115.77 1xxi h GLN 157 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1xxi h GLN 157 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.84 1xxi h GLN 157 CO 0.02 0.00 0.00 1.28 0.09 0.00 0.00 178.83 180.22 1xxi n LEU 158 N -2.39 2.12 -3.39 0.06 4.77 -0.17 -4.89 117.00 113.12 1xxi n LEU 158 Ca 0.05 -1.07 -0.17 0.00 -0.03 0.00 0.00 56.01 54.80 1xxi n LEU 158 Cb 0.45 -0.31 0.09 0.00 -2.33 0.00 0.00 43.42 41.31 1xxi n LEU 158 CO 0.31 0.45 0.09 -3.20 -1.33 0.00 0.00 177.39 173.71 1xxi n ASN 159 N 0.45 -3.05 -4.22 -1.43 5.15 -0.92 -5.02 115.26 106.22 1xxi n ASN 159 Ca 0.12 -0.64 -0.29 0.00 -0.60 0.00 0.00 54.58 53.16 1xxi n ASN 159 Cb 0.38 -5.14 -0.16 0.00 -0.53 0.00 0.00 39.78 34.33 1xxi n ASN 159 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1xxi s LEU 160 N -6.15 2.01 -1.14 1.20 1.02 -0.83 -4.90 118.68 109.90 1xxi s LEU 160 Ca 0.10 -0.44 -0.11 0.00 0.02 0.00 0.00 54.13 53.70 1xxi s LEU 160 Cb -0.01 -1.21 0.25 0.00 0.02 0.00 0.00 46.19 45.24 1xxi s LEU 160 CO 0.73 0.21 1.21 -1.61 0.02 0.00 0.00 176.35 176.92 1xxi s GLU 161 N -0.13 4.17 -0.55 1.70 2.02 -1.05 -4.19 118.70 120.67 1xxi s GLU 161 Ca -0.02 -3.02 -0.23 0.00 0.02 0.00 0.00 54.97 51.71 1xxi s GLU 161 Cb -0.12 -4.71 0.05 0.00 0.10 0.00 0.00 34.13 29.44 1xxi s GLU 161 CO 0.03 -1.40 0.89 -1.17 0.02 0.00 0.00 175.26 173.62 1xxi s LEU 162 N -0.38 4.28 0.72 1.80 0.20 -1.26 -1.64 118.68 122.39 1xxi s LEU 162 Ca 0.34 -0.49 -0.16 0.00 0.69 0.00 0.00 54.13 54.52 1xxi s LEU 162 Cb -0.08 -2.74 0.00 0.00 -0.43 0.00 0.00 46.19 42.95 1xxi s LEU 162 CO -0.06 -1.18 0.94 0.47 -0.29 0.00 0.00 176.35 176.23 1xxi n ASP 163 N 7.24 0.35 -0.15 3.68 9.92 -0.85 -4.71 116.55 132.03 1xxi n ASP 163 Ca -0.00 0.66 -0.09 0.00 -0.53 0.00 0.00 54.79 54.82 1xxi n ASP 163 Cb 0.47 -1.39 -0.00 0.00 -0.64 0.00 0.00 41.12 39.55 1xxi n ASP 163 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1xxi h ASP 164 N -0.27 0.67 -0.23 -2.24 3.32 -1.96 0.36 116.42 116.07 1xxi h ASP 164 Ca -0.47 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.30 1xxi h ASP 164 Cb 1.33 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1xxi h ASP 164 CO 0.46 0.74 -0.01 0.00 -1.72 0.00 0.00 179.24 178.71 1xxi h ALA 165 N 0.95 0.31 -0.29 3.45 0.00 -1.98 -1.32 119.26 120.39 1xxi h ALA 165 Ca 0.13 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1xxi h ALA 165 Cb 0.34 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1xxi h ALA 165 CO 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 179.25 179.26 1xxi h ALA 166 N 0.79 0.22 -0.77 0.00 0.00 -1.85 0.81 119.26 118.45 1xxi h ALA 166 Ca 0.06 0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.21 1xxi h ALA 166 Cb 0.43 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 1xxi h ALA 166 CO 0.01 -0.44 0.33 -0.97 0.00 0.00 0.00 179.25 178.19 1xxi h ASN 167 N 0.04 0.34 -0.55 0.00 -0.73 -0.06 0.18 115.58 114.80 1xxi h ASN 167 Ca 0.14 0.10 -0.09 0.00 1.87 0.00 0.00 56.30 58.32 1xxi h ASN 167 Cb 0.20 0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 1xxi h ASN 167 CO -0.27 0.13 -0.02 1.56 -0.37 0.00 0.00 177.43 178.47 1xxi h GLN 168 N 0.49 1.01 -0.02 6.67 4.20 0.09 -1.45 115.11 126.09 1xxi h GLN 168 Ca 0.42 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1xxi h GLN 168 Cb 0.63 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 1xxi h GLN 168 CO -0.39 1.00 0.00 0.28 -0.67 0.00 0.00 178.83 179.05 1xxi h VAL 169 N 0.92 0.99 -0.71 -0.54 2.07 0.15 0.20 116.25 119.34 1xxi h VAL 169 Ca 0.16 -0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.76 1xxi h VAL 169 Cb 0.56 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1xxi h VAL 169 CO 0.03 0.00 0.47 -0.07 0.02 0.00 0.00 177.57 178.02 1xxi h LEU 170 N 0.01 0.58 -0.21 2.57 3.38 -0.77 -1.90 115.31 118.96 1xxi h LEU 170 Ca 0.01 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 1xxi h LEU 170 Cb 0.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1xxi h LEU 170 CO -0.01 0.36 -0.49 0.00 0.09 0.00 0.00 178.44 178.38 1xxi h TYR 172 N 0.42 0.00 -3.07 0.00 0.05 -0.09 -3.08 116.97 111.20 1xxi h TYR 172 Ca -0.00 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 58.13 1xxi h TYR 172 Cb 1.10 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.75 1xxi h TYR 172 CO 0.09 0.05 -0.57 0.00 -1.05 0.00 0.00 178.16 176.68 1xxi n TYR 174 N 1.19 -1.17 -1.55 0.00 4.02 -1.26 -4.74 117.16 113.65 1xxi n TYR 174 Ca -0.13 0.04 -0.46 0.00 -0.01 0.00 0.00 57.90 57.33 1xxi n TYR 174 Cb 0.53 -3.73 -0.05 0.00 -0.02 0.00 0.00 39.34 36.07 1xxi n TYR 174 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1xxi n GLU 175 N -3.04 1.67 0.00 -0.72 2.13 -1.16 -1.92 120.64 117.59 1xxi n GLU 175 Ca -0.21 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.08 1xxi n GLU 175 Cb 0.67 -2.88 0.00 0.00 0.27 0.00 0.00 31.44 29.50 1xxi n GLU 175 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xxi n GLY 176 N 5.91 1.70 3.41 8.31 0.00 -1.26 -4.99 105.19 118.27 1xxi n GLY 176 Ca 0.33 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.91 1xxi n GLY 176 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xxi s ASN 177 N -1.82 7.06 0.55 1.61 3.84 -0.81 -4.86 114.94 120.51 1xxi s ASN 177 Ca 0.00 -3.01 0.27 0.00 0.21 0.00 0.00 52.86 50.32 1xxi s ASN 177 Cb 0.00 -2.32 1.45 0.00 -0.55 0.00 0.00 41.25 39.83 1xxi s ASN 177 CO 0.00 -0.63 1.98 -0.07 -2.79 0.00 0.00 177.10 175.59 1xxi h LEU 178 N 8.66 0.00 -0.87 3.21 3.38 -1.94 0.23 115.31 127.98 1xxi h LEU 178 Ca 0.23 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 1xxi h LEU 178 Cb 0.91 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1xxi h LEU 178 CO 1.10 0.00 -0.03 0.25 0.09 0.00 0.00 178.44 179.85 1xxi h LEU 179 N 0.00 0.79 -0.21 1.67 5.85 -1.97 -2.16 115.31 119.28 1xxi h LEU 179 Ca 0.24 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1xxi h LEU 179 Cb 1.03 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1xxi h LEU 179 CO -0.00 0.87 -0.06 0.00 -0.34 0.00 0.00 178.44 178.90 1xxi h ALA 180 N 1.22 0.28 0.00 1.25 0.00 -0.95 -2.10 119.26 118.96 1xxi h ALA 180 Ca 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xxi h ALA 180 Cb 0.49 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xxi h ALA 180 CO 0.02 0.08 -0.09 -0.07 0.00 0.00 0.00 179.25 179.19 1xxi h LEU 181 N 0.12 0.00 0.08 0.00 3.38 -1.26 0.21 115.31 117.84 1xxi h LEU 181 Ca 0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 1xxi h LEU 181 Cb 0.52 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.29 1xxi h LEU 181 CO 0.02 0.09 -0.78 0.00 0.09 0.00 0.00 178.44 177.86 1xxi h ALA 182 N 1.91 -0.01 0.36 1.53 0.00 -1.28 -1.92 119.26 119.85 1xxi h ALA 182 Ca -0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 1xxi h ALA 182 Cb 0.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xxi h ALA 182 CO 0.01 0.41 -0.17 1.96 0.00 0.00 0.00 179.25 181.46 1xxi h GLN 183 N -0.15 -0.47 -0.73 0.00 1.08 -0.98 -1.46 115.11 112.39 1xxi h GLN 183 Ca -0.12 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.26 1xxi h GLN 183 Cb 1.54 0.11 -0.10 0.00 -0.05 0.00 0.00 27.48 28.97 1xxi h GLN 183 CO 0.15 -0.31 0.24 0.00 -0.95 0.00 0.00 178.83 177.97 1xxi h ALA 184 N 0.14 0.99 -0.59 3.87 0.00 -0.68 0.80 119.26 123.78 1xxi h ALA 184 Ca -0.05 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1xxi h ALA 184 Cb 0.38 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1xxi h ALA 184 CO 0.08 -0.26 0.13 -0.07 0.00 0.00 0.00 179.25 179.13 1xxi h LEU 185 N 0.37 0.87 -0.40 0.00 3.38 -1.00 0.87 115.31 119.40 1xxi h LEU 185 Ca 0.40 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 58.03 1xxi h LEU 185 Cb 0.64 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1xxi h LEU 185 CO -0.44 0.85 -0.55 -0.33 0.09 0.00 0.00 178.44 178.07 1xxi h GLU 186 N 0.89 0.73 -0.08 1.13 5.08 0.41 -2.09 114.58 120.64 1xxi h GLU 186 Ca 0.19 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1xxi h GLU 186 Cb 0.34 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1xxi h GLU 186 CO 0.00 1.09 -0.01 0.00 -1.00 0.00 0.00 179.01 179.09 1xxi h ARG 187 N 0.56 0.14 -0.26 2.33 3.08 0.78 -2.73 114.38 118.28 1xxi h ARG 187 Ca 0.01 -0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.09 1xxi h ARG 187 Cb 1.13 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 1xxi h ARG 187 CO 0.11 0.44 0.40 -0.07 -1.07 0.00 0.00 179.97 179.78 1xxi h LEU 188 N -0.16 0.00 0.00 3.04 3.38 -0.77 0.52 115.31 121.31 1xxi h LEU 188 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1xxi h LEU 188 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1xxi h LEU 188 CO 0.01 0.00 -0.77 -1.28 0.09 0.00 0.00 178.44 176.49 1xxi h SER 189 N 0.00 0.00 0.23 -0.43 0.87 -1.07 -2.72 113.55 110.43 1xxi h SER 189 Ca 0.12 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.43 1xxi h SER 189 Cb 0.92 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.90 1xxi h SER 189 CO -0.00 0.64 -1.07 -0.07 -0.53 0.00 0.00 176.83 175.80 1xxi h LEU 190 N 0.00 0.70 0.26 2.23 3.38 0.17 -3.24 115.31 118.82 1xxi h LEU 190 Ca -0.03 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 1xxi h LEU 190 Cb 1.52 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1xxi h LEU 190 CO 0.08 1.41 -0.13 -0.07 0.09 0.00 0.00 178.44 179.82 1xxi h LEU 191 N 0.27 -0.31 -7.36 1.67 3.38 -1.46 -3.34 115.31 108.15 1xxi h LEU 191 Ca -0.12 0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.19 1xxi h LEU 191 Cb 1.73 0.08 -0.39 0.00 0.09 0.00 0.00 40.66 42.17 1xxi h LEU 191 CO 0.20 -0.22 -0.45 0.26 0.09 0.00 0.00 178.44 178.32 1xxi s TRP 192 N -6.14 3.44 0.57 1.13 0.51 -1.03 -4.88 118.94 112.55 1xxi s TRP 192 Ca -0.15 -3.05 0.28 0.00 -2.12 0.00 0.00 56.10 51.06 1xxi s TRP 192 Cb 0.05 -2.98 1.49 0.00 -0.81 0.00 0.00 33.47 31.22 1xxi s TRP 192 CO 0.64 -0.73 1.96 -1.35 -0.51 0.00 0.00 176.95 176.96 1xxi h PRO 193 N 6.35 0.00 -0.82 4.98 0.11 -1.69 -1.91 132.00 139.02 1xxi h PRO 193 Ca 0.02 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.28 1xxi h PRO 193 Cb 0.87 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.83 1xxi h PRO 193 CO 0.73 0.00 -0.30 0.22 -0.21 0.00 0.00 178.00 178.44 1xxi h ASP 194 N 0.00 -1.09 0.00 -2.05 1.82 -1.90 -3.46 116.42 109.75 1xxi h ASP 194 Ca 0.22 0.26 0.00 0.00 -0.39 0.00 0.00 57.03 57.12 1xxi h ASP 194 Cb 1.06 0.61 0.00 0.00 0.68 0.00 0.00 39.33 41.68 1xxi h ASP 194 CO -0.00 -0.29 0.00 0.61 -1.61 0.00 0.00 179.24 177.95 1xxi n GLY 195 N -1.49 1.84 3.56 -0.78 0.00 -0.72 -5.03 105.19 102.58 1xxi n GLY 195 Ca 0.09 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1xxi n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxi s LYS 196 N 0.00 2.75 -1.27 1.61 1.02 -1.26 -2.53 119.74 120.05 1xxi s LYS 196 Ca 0.00 -0.63 -0.16 0.00 0.02 0.00 0.00 55.97 55.19 1xxi s LYS 196 Cb 0.00 -5.16 0.10 0.00 -0.52 0.00 0.00 37.83 32.26 1xxi s LYS 196 CO 0.00 -3.28 1.64 1.28 -0.92 0.00 0.00 175.35 174.07 1xxi n LEU 197 N 13.12 5.06 -4.89 3.17 4.77 -0.65 -4.98 117.00 132.59 1xxi n LEU 197 Ca 0.40 -4.11 -0.29 0.00 -0.03 0.00 0.00 56.01 51.99 1xxi n LEU 197 Cb 0.47 -1.70 0.03 0.00 -2.33 0.00 0.00 43.42 39.89 1xxi n LEU 197 CO 0.63 0.36 0.64 -0.89 -1.33 0.00 0.00 177.39 176.79 1xxi s THR 198 N 3.31 3.98 0.17 -5.08 2.01 -1.26 -2.01 115.64 116.76 1xxi s THR 198 Ca 0.50 0.38 -0.14 0.00 0.31 0.00 0.00 61.69 62.74 1xxi s THR 198 Cb 0.02 -3.60 0.07 0.00 0.01 0.00 0.00 72.50 69.00 1xxi s THR 198 CO 0.05 -0.72 1.74 0.25 -0.69 0.00 0.00 174.62 175.25 1xxi h LEU 199 N -0.32 0.10 0.01 4.42 5.85 -1.94 -0.60 115.31 122.83 1xxi h LEU 199 Ca -0.45 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.35 1xxi h LEU 199 Cb 1.23 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 1xxi h LEU 199 CO 0.62 0.09 -0.15 -0.65 -0.34 0.00 0.00 178.44 178.01 1xxi h PRO 200 N 0.29 -0.25 0.46 5.25 0.11 -1.98 0.59 132.00 136.47 1xxi h PRO 200 Ca 0.22 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 1xxi h PRO 200 Cb 0.24 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 1xxi h PRO 200 CO -0.25 -0.17 -0.38 0.00 -0.21 0.00 0.00 178.00 177.00 1xxi h ARG 201 N -0.26 -0.80 -0.92 1.05 3.08 -1.87 -0.94 114.38 113.71 1xxi h ARG 201 Ca 0.05 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1xxi h ARG 201 Cb 0.32 0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 1xxi h ARG 201 CO -0.14 -0.54 0.56 0.28 -1.07 0.00 0.00 179.97 179.06 1xxi h VAL 202 N -0.83 1.25 -0.55 2.04 2.07 -0.90 -2.30 116.25 117.03 1xxi h VAL 202 Ca -0.04 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1xxi h VAL 202 Cb 0.72 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1xxi h VAL 202 CO -0.02 0.26 0.28 -0.08 0.02 0.00 0.00 177.57 178.04 1xxi h GLU 203 N 1.27 0.78 -0.18 1.57 4.81 0.45 -1.49 114.58 121.78 1xxi h GLU 203 Ca 0.33 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1xxi h GLU 203 Cb -0.07 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1xxi h GLU 203 CO -0.06 0.62 0.11 0.37 -0.73 0.00 0.00 179.01 179.32 1xxi h GLN 204 N 0.74 0.25 -0.02 1.92 4.15 -0.64 -1.68 115.11 119.82 1xxi h GLN 204 Ca 0.19 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.51 1xxi h GLN 204 Cb 0.08 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1xxi h GLN 204 CO -0.03 0.20 -0.35 0.00 -1.93 0.00 0.00 178.83 176.72 1xxi h ALA 205 N 1.03 1.38 -0.02 3.38 0.00 -1.25 -0.45 119.26 123.34 1xxi h ALA 205 Ca 0.07 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 1xxi h ALA 205 Cb 0.01 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xxi h ALA 205 CO -0.01 0.46 -0.62 0.28 0.00 0.00 0.00 179.25 179.35 1xxi h VAL 206 N 0.03 1.40 -0.13 0.00 2.07 -0.97 -2.20 116.25 116.46 1xxi h VAL 206 Ca 0.00 -2.05 -0.19 0.00 0.82 0.00 0.00 66.70 65.28 1xxi h VAL 206 Cb 0.64 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1xxi h VAL 206 CO 0.05 0.60 -0.71 0.78 0.02 0.00 0.00 177.57 178.31 1xxi h ASN 207 N -0.02 0.67 -0.50 0.57 2.35 -1.26 -3.20 115.58 114.18 1xxi h ASN 207 Ca -0.07 -0.42 -0.06 0.00 -0.55 0.00 0.00 56.30 55.19 1xxi h ASN 207 Cb 1.31 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.46 1xxi h ASN 207 CO 0.12 1.18 0.08 0.44 -1.65 0.00 0.00 177.43 177.61 1xxi h ASP 208 N 0.40 0.84 -0.61 5.81 3.32 -1.14 -2.99 116.42 122.05 1xxi h ASP 208 Ca -0.03 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 56.89 1xxi h ASP 208 Cb 1.30 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 1xxi h ASP 208 CO 0.13 0.85 0.40 0.00 -1.72 0.00 0.00 179.24 178.91 1xxi h ALA 209 N 1.25 1.75 -5.44 3.45 0.00 -1.39 -3.48 119.26 115.40 1xxi h ALA 209 Ca 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1xxi h ALA 209 Cb 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xxi h ALA 209 CO 0.01 0.17 -0.15 0.00 0.00 0.00 0.00 179.25 179.27 1xxi n ALA 210 N -2.47 -2.60 -3.35 0.00 0.00 -1.13 -5.08 120.51 105.88 1xxi n ALA 210 Ca 0.08 0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.56 1xxi n ALA 210 Cb 0.19 -1.86 -0.07 0.00 0.00 0.00 0.00 19.45 17.70 1xxi n ALA 210 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1xxi s HIS 211 N -2.92 -0.45 0.17 0.00 -3.43 -1.26 -4.99 115.29 102.41 1xxi s HIS 211 Ca 0.05 -0.57 -0.11 0.00 -0.80 0.00 0.00 55.06 53.63 1xxi s HIS 211 Cb -0.01 -0.36 -0.07 0.00 -1.43 0.00 0.00 32.58 30.71 1xxi s HIS 211 CO 0.76 -0.97 0.51 -0.06 -2.00 0.00 0.00 174.74 172.98 1xxi s PHE 212 N 1.69 3.52 0.49 0.38 0.40 -1.26 -4.91 117.98 118.29 1xxi s PHE 212 Ca 0.15 0.90 -0.20 0.00 -0.60 0.00 0.00 56.93 57.18 1xxi s PHE 212 Cb -0.14 -2.26 -0.08 0.00 0.51 0.00 0.00 43.02 41.04 1xxi s PHE 212 CO -0.11 0.38 1.05 0.99 0.70 0.00 0.00 175.22 178.23 1xxi s THR 213 N -1.62 3.73 0.65 0.64 2.01 -1.26 -4.90 115.64 114.89 1xxi s THR 213 Ca 0.41 1.07 0.40 0.00 0.31 0.00 0.00 61.69 63.88 1xxi s THR 213 Cb -0.13 -3.43 0.42 0.00 0.01 0.00 0.00 72.50 69.37 1xxi s THR 213 CO 0.20 -0.24 2.33 -0.65 -0.69 0.00 0.00 174.62 175.57 1xxi h PRO 214 N 1.49 0.00 -0.07 4.92 0.11 -1.99 -1.11 132.00 135.35 1xxi h PRO 214 Ca -0.49 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 1xxi h PRO 214 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1xxi h PRO 214 CO 0.59 0.00 -0.59 0.74 -0.21 0.00 0.00 178.00 178.52 1xxi h PHE 215 N 0.00 0.29 0.00 0.65 0.05 -1.98 -2.81 116.94 113.14 1xxi h PHE 215 Ca 0.00 -0.11 -0.02 0.00 3.82 0.00 0.00 57.97 61.67 1xxi h PHE 215 Cb 0.03 -0.05 -0.00 0.00 2.00 0.00 0.00 35.95 37.93 1xxi h PHE 215 CO 0.00 0.76 -0.08 0.45 -0.18 0.00 0.00 178.31 179.26 1xxi h HIS 216 N 0.17 0.00 -0.02 -0.55 3.86 -1.56 1.69 115.15 118.73 1xxi h HIS 216 Ca -0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1xxi h HIS 216 Cb 1.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 1xxi h HIS 216 CO 0.02 0.08 -0.07 2.35 0.86 0.00 0.00 177.93 181.17 1xxi h TRP 217 N 0.00 0.12 0.25 2.45 7.01 -1.55 -2.03 115.95 122.20 1xxi h TRP 217 Ca -0.00 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 60.94 1xxi h TRP 217 Cb 0.26 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.30 1xxi h TRP 217 CO 0.00 0.70 -0.12 0.28 -2.79 0.00 0.00 178.44 176.51 1xxi h VAL 218 N -0.50 0.79 -1.19 2.65 2.07 -1.19 0.69 116.25 119.57 1xxi h VAL 218 Ca -0.00 -0.67 0.34 0.00 0.82 0.00 0.00 66.70 67.18 1xxi h VAL 218 Cb 0.70 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 31.53 1xxi h VAL 218 CO 0.02 0.14 0.80 0.44 0.02 0.00 0.00 177.57 178.99 1xxi h ASP 219 N -0.71 0.23 0.29 0.57 5.19 0.24 1.10 116.42 123.33 1xxi h ASP 219 Ca -0.03 0.06 -0.34 0.00 -0.62 0.00 0.00 57.03 56.10 1xxi h ASP 219 Cb 0.48 0.03 0.01 0.00 0.18 0.00 0.00 39.33 40.04 1xxi h ASP 219 CO 0.06 0.00 -1.61 0.00 -3.12 0.00 0.00 179.24 174.57 1xxi h ALA 220 N 1.51 0.09 0.00 3.45 0.00 -1.15 -3.33 119.26 119.84 1xxi h ALA 220 Ca 0.64 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1xxi h ALA 220 Cb 2.08 0.33 0.00 0.00 0.00 0.00 0.00 17.79 20.19 1xxi h ALA 220 CO -0.20 0.96 0.00 1.28 0.00 0.00 0.00 179.25 181.29 1xxi n LEU 221 N -3.59 0.00 -1.40 0.00 4.77 0.37 -2.00 117.00 115.14 1xxi n LEU 221 Ca -0.20 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1xxi n LEU 221 Cb 1.08 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 1xxi n LEU 221 CO 0.54 -0.07 0.87 0.18 -1.33 0.00 0.00 177.39 177.58 1xxi n LEU 222 N -1.11 4.74 0.00 2.23 4.77 -0.28 -4.52 117.00 122.84 1xxi n LEU 222 Ca 0.07 -2.17 0.00 0.00 -0.03 0.00 0.00 56.01 53.88 1xxi n LEU 222 Cb 0.06 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1xxi n LEU 222 CO 0.07 0.88 0.00 0.23 -1.33 0.00 0.00 177.39 177.24 1xxi n MET 223 N 1.30 0.00 -2.51 3.23 2.81 -1.23 -4.09 117.12 116.63 1xxi n MET 223 Ca 0.00 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.56 1xxi n MET 223 Cb 0.49 -1.57 -0.04 0.00 -0.71 0.00 0.00 33.22 31.39 1xxi n MET 223 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1xxi s GLY 224 N -1.77 2.24 0.15 3.03 0.00 -0.85 -4.93 107.32 105.19 1xxi s GLY 224 Ca 0.00 0.34 -0.34 0.00 0.00 0.00 0.00 44.72 44.71 1xxi s GLY 224 CO 0.00 0.62 1.48 0.58 0.00 0.00 0.00 173.10 175.79 1xxi n LYS 225 N -1.26 1.82 -0.16 2.90 2.85 -1.26 -4.68 118.16 118.37 1xxi n LYS 225 Ca 0.07 0.66 0.21 0.00 -1.05 0.00 0.00 58.31 58.20 1xxi n LYS 225 Cb 0.54 -2.37 0.60 0.00 -0.65 0.00 0.00 35.03 33.14 1xxi n LYS 225 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1xxi h SER 226 N 5.32 0.23 -0.38 -5.58 4.64 -1.89 -3.07 113.55 112.81 1xxi h SER 226 Ca -0.46 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 60.93 1xxi h SER 226 Cb 1.28 -0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 63.27 1xxi h SER 226 CO 0.84 0.10 -0.55 0.11 -0.87 0.00 0.00 176.83 176.46 1xxi h LYS 227 N 0.23 -0.40 0.00 4.77 1.57 -1.98 0.47 116.57 121.23 1xxi h LYS 227 Ca 0.40 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.16 1xxi h LYS 227 Cb 1.20 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 1xxi h LYS 227 CO -0.09 -0.27 -0.21 0.07 -0.57 0.00 0.00 179.45 178.38 1xxi h ARG 228 N -0.42 0.00 -0.02 3.15 0.11 -1.93 0.51 114.38 115.79 1xxi h ARG 228 Ca 0.07 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.91 1xxi h ARG 228 Cb 0.60 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.69 1xxi h ARG 228 CO -0.58 0.21 -0.94 0.00 0.10 0.00 0.00 179.97 178.76 1xxi h ALA 229 N 1.79 0.32 -0.32 0.08 0.00 -1.20 0.17 119.26 120.10 1xxi h ALA 229 Ca -0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 54.91 54.09 1xxi h ALA 229 Cb 0.42 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1xxi h ALA 229 CO 0.03 0.77 -0.33 -0.07 0.00 0.00 0.00 179.25 179.65 1xxi h LEU 230 N 0.30 0.72 0.44 0.00 4.07 0.40 0.42 115.31 121.67 1xxi h LEU 230 Ca -0.09 -0.29 -0.02 0.00 0.08 0.00 0.00 57.88 57.56 1xxi h LEU 230 Cb 1.57 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 43.12 1xxi h LEU 230 CO 0.17 0.99 -0.21 -0.74 -1.08 0.00 0.00 178.44 177.57 1xxi h HIS 231 N 0.58 -0.54 -0.76 1.13 2.76 -0.77 -1.12 115.15 116.43 1xxi h HIS 231 Ca 0.06 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1xxi h HIS 231 Cb 0.84 0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.94 1xxi h HIS 231 CO 0.04 -0.25 0.48 0.82 -1.30 0.00 0.00 177.93 177.72 1xxi h ILE 232 N -0.77 1.20 -0.45 6.26 2.04 -0.53 -0.04 117.51 125.23 1xxi h ILE 232 Ca -0.06 -0.40 -0.09 0.00 1.00 0.00 0.00 64.86 65.31 1xxi h ILE 232 Cb 0.54 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1xxi h ILE 232 CO 0.10 0.20 -0.10 0.25 0.00 0.00 0.00 178.15 178.60 1xxi h LEU 233 N 1.03 0.79 -0.88 1.44 5.85 -0.02 0.18 115.31 123.71 1xxi h LEU 233 Ca 0.27 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1xxi h LEU 233 Cb -0.09 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.73 1xxi h LEU 233 CO -0.06 0.92 0.00 0.00 -0.34 0.00 0.00 178.44 178.96 1xxi n GLN 234 N -4.17 1.59 0.00 1.25 6.02 -0.44 -2.96 117.38 118.68 1xxi n GLN 234 Ca 0.01 -0.87 0.05 0.00 -0.01 0.00 0.00 57.00 56.19 1xxi n GLN 234 Cb 0.36 -1.45 0.01 0.00 1.02 0.00 0.00 30.24 30.18 1xxi n GLN 234 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1xxi n GLN 235 N 0.07 1.82 0.00 -1.09 1.13 -0.08 -4.25 117.38 114.97 1xxi n GLN 235 Ca 0.19 -0.71 0.12 0.00 -1.94 0.00 0.00 57.00 54.65 1xxi n GLN 235 Cb 0.31 -1.12 0.15 0.00 0.11 0.00 0.00 30.24 29.69 1xxi n GLN 235 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1xxi n LEU 236 N -0.11 1.59 -0.39 1.08 4.77 0.56 -3.58 117.00 120.93 1xxi n LEU 236 Ca 0.05 -0.54 0.11 0.00 -0.03 0.00 0.00 56.01 55.60 1xxi n LEU 236 Cb 0.24 -0.05 0.09 0.00 -2.33 0.00 0.00 43.42 41.37 1xxi n LEU 236 CO 0.13 0.30 0.37 -2.11 -1.33 0.00 0.00 177.39 174.74 1xxi n ARG 237 N -0.32 1.00 -0.16 3.23 1.85 -1.24 -3.15 116.66 117.87 1xxi n ARG 237 Ca 0.10 -0.78 0.11 0.00 -1.00 0.00 0.00 57.85 56.29 1xxi n ARG 237 Cb 0.42 -1.48 0.19 0.00 -1.05 0.00 0.00 32.46 30.53 1xxi n ARG 237 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1xxi n LEU 238 N -0.32 3.29 -0.18 2.89 4.77 -1.23 -3.85 117.00 122.37 1xxi n LEU 238 Ca 0.10 -1.45 0.03 0.00 -0.03 0.00 0.00 56.01 54.65 1xxi n LEU 238 Cb 0.43 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1xxi n LEU 238 CO 0.29 0.70 0.27 -0.62 -1.33 0.00 0.00 177.39 176.69 1xxi n GLU 239 N 1.36 0.89 -2.35 3.23 1.02 -1.26 -5.01 120.64 118.52 1xxi n GLU 239 Ca 0.17 -0.67 -0.05 0.00 -0.02 0.00 0.00 57.16 56.60 1xxi n GLU 239 Cb 0.57 -1.03 0.02 0.00 -0.02 0.00 0.00 31.44 30.98 1xxi n GLU 239 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xxi n GLY 240 N 0.47 0.23 3.62 0.62 0.00 -1.25 -5.04 105.19 103.85 1xxi n GLY 240 Ca 0.03 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1xxi n GLY 240 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xxi s SER 241 N -3.35 5.94 0.70 1.61 0.01 -1.19 -5.08 113.70 112.35 1xxi s SER 241 Ca 0.01 0.05 -0.16 0.00 1.31 0.00 0.00 55.95 57.16 1xxi s SER 241 Cb -0.00 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 64.17 1xxi s SER 241 CO 0.20 0.05 1.22 -1.61 0.41 0.00 0.00 173.24 173.50 1xxi s GLU 242 N 1.16 2.34 -0.02 12.44 2.02 -1.26 -4.81 118.70 130.57 1xxi s GLU 242 Ca 0.07 1.81 -0.26 0.00 0.02 0.00 0.00 54.97 56.61 1xxi s GLU 242 Cb -0.14 -1.85 -0.20 0.00 0.10 0.00 0.00 34.13 32.04 1xxi s GLU 242 CO 0.05 -1.69 1.26 -1.00 0.02 0.00 0.00 175.26 173.90 1xxi h PRO 243 N 0.01 -0.01 -0.90 0.39 0.13 -1.98 -3.25 132.00 126.40 1xxi h PRO 243 Ca -0.49 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 64.89 1xxi h PRO 243 Cb 1.30 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.29 1xxi h PRO 243 CO 0.51 0.48 0.31 0.28 -0.23 0.00 0.00 178.00 179.34 1xxi h VAL 244 N -0.49 0.33 0.00 1.56 2.07 -2.00 0.91 116.25 118.63 1xxi h VAL 244 Ca -0.00 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1xxi h VAL 244 Cb 0.49 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1xxi h VAL 244 CO 0.00 0.05 -0.04 -0.29 0.02 0.00 0.00 177.57 177.31 1xxi h ILE 245 N 0.25 0.11 0.10 4.57 2.10 -1.95 -2.76 117.51 119.92 1xxi h ILE 245 Ca 0.58 -0.54 -0.18 0.00 1.08 0.00 0.00 64.86 65.80 1xxi h ILE 245 Cb 1.19 1.48 0.02 0.00 -1.09 0.00 0.00 36.82 38.42 1xxi h ILE 245 CO -0.63 0.04 -0.77 -0.07 -1.08 0.00 0.00 178.15 175.63 1xxi h LEU 246 N 0.00 0.51 -1.51 2.19 3.38 0.80 -3.25 115.31 117.43 1xxi h LEU 246 Ca -0.00 -0.89 0.03 0.00 0.09 0.00 0.00 57.88 57.11 1xxi h LEU 246 Cb 0.48 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1xxi h LEU 246 CO 0.00 1.35 0.36 -0.07 0.09 0.00 0.00 178.44 180.17 1xxi h LEU 247 N -0.26 0.55 -0.28 1.67 3.38 -1.09 -0.88 115.31 118.41 1xxi h LEU 247 Ca -0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1xxi h LEU 247 Cb 1.55 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1xxi h LEU 247 CO 0.15 0.39 -0.03 0.54 0.09 0.00 0.00 178.44 179.58 1xxi n ARG 248 N -4.47 1.04 -0.07 1.13 1.74 -1.08 -0.88 116.66 114.08 1xxi n ARG 248 Ca 0.06 -0.28 -0.15 0.00 -0.77 0.00 0.00 57.85 56.72 1xxi n ARG 248 Cb 0.12 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 29.93 1xxi n ARG 248 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1xxi n THR 249 N -0.74 1.55 -0.00 0.55 -1.04 -0.44 -3.43 114.28 110.74 1xxi n THR 249 Ca 0.20 -0.71 -0.17 0.00 -2.04 0.00 0.00 64.05 61.32 1xxi n THR 249 Cb 0.21 -1.16 -0.10 0.00 -1.82 0.00 0.00 70.33 67.47 1xxi n THR 249 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1xxi h LEU 250 N 0.02 0.62 0.27 -4.42 5.85 -1.21 -3.11 115.31 113.33 1xxi h LEU 250 Ca -0.48 -0.72 0.00 0.00 0.84 0.00 0.00 57.88 57.52 1xxi h LEU 250 Cb 2.05 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.86 1xxi h LEU 250 CO 0.01 1.25 -0.31 -0.61 -0.34 0.00 0.00 178.44 178.45 1xxi h GLN 251 N 0.05 -0.60 -0.71 1.25 4.15 -1.18 0.30 115.11 118.36 1xxi h GLN 251 Ca -0.07 0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.52 1xxi h GLN 251 Cb 1.32 0.14 -0.09 0.00 0.21 0.00 0.00 27.48 29.06 1xxi h GLN 251 CO 0.13 -0.40 0.25 0.00 -1.93 0.00 0.00 178.83 176.88 1xxi h ARG 252 N -0.62 0.39 0.00 1.69 3.08 -1.64 0.13 114.38 117.41 1xxi h ARG 252 Ca -0.00 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 1xxi h ARG 252 Cb 0.59 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1xxi h ARG 252 CO -0.09 0.26 -0.67 0.93 -1.07 0.00 0.00 179.97 179.33 1xxi h GLU 253 N 0.40 0.00 -0.04 0.04 4.39 -1.42 -2.84 114.58 115.11 1xxi h GLU 253 Ca 0.38 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.05 1xxi h GLU 253 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1xxi h GLU 253 CO -0.40 0.67 -0.12 1.25 -1.16 0.00 0.00 179.01 179.26 1xxi h LEU 254 N 0.00 0.17 -1.39 1.33 5.85 0.11 -2.02 115.31 119.36 1xxi h LEU 254 Ca -0.01 -0.62 -0.04 0.00 0.84 0.00 0.00 57.88 58.05 1xxi h LEU 254 Cb 1.32 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1xxi h LEU 254 CO 0.09 0.76 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.81 1xxi h LEU 255 N -0.41 0.30 -0.79 2.25 3.38 -0.90 -1.71 115.31 117.43 1xxi h LEU 255 Ca -0.00 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1xxi h LEU 255 Cb 0.74 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1xxi h LEU 255 CO 0.02 0.41 0.21 0.25 0.09 0.00 0.00 178.44 179.43 1xxi h LEU 256 N 0.31 1.05 -0.75 1.67 5.85 -1.45 -1.92 115.31 120.07 1xxi h LEU 256 Ca 0.07 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 1xxi h LEU 256 Cb 0.32 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1xxi h LEU 256 CO 0.01 0.98 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.86 1xxi h LEU 257 N 1.07 0.77 -0.25 2.25 3.38 -0.59 -2.63 115.31 119.31 1xxi h LEU 257 Ca 0.23 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1xxi h LEU 257 Cb 0.31 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1xxi h LEU 257 CO -0.01 0.94 0.02 0.58 0.09 0.00 0.00 178.44 180.06 1xxi h VAL 258 N 0.68 0.84 -0.48 1.22 2.07 -0.61 0.13 116.25 120.11 1xxi h VAL 258 Ca 0.11 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.51 1xxi h VAL 258 Cb 0.66 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1xxi h VAL 258 CO 0.05 0.02 -0.02 0.78 0.02 0.00 0.00 177.57 178.41 1xxi h ASN 259 N 0.10 0.78 -0.02 0.57 2.35 -1.35 -2.47 115.58 115.54 1xxi h ASN 259 Ca 0.12 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1xxi h ASN 259 Cb 0.14 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1xxi h ASN 259 CO -0.19 0.86 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.34 1xxi h LEU 260 N 0.75 0.09 -2.38 1.61 3.38 -1.00 -2.88 115.31 114.87 1xxi h LEU 260 Ca 0.14 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1xxi h LEU 260 Cb 0.49 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1xxi h LEU 260 CO 0.02 0.64 -0.00 0.50 0.09 0.00 0.00 178.44 179.69 1xxi h LYS 261 N -0.46 0.00 0.00 1.13 1.63 -0.73 0.17 116.57 118.31 1xxi h LYS 261 Ca 0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1xxi h LYS 261 Cb 0.63 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1xxi h LYS 261 CO 0.01 0.00 -0.15 0.00 -3.45 0.00 0.00 179.45 175.86 1xxi h ARG 262 N 0.00 0.00 -2.55 1.90 3.08 -1.36 -3.33 114.38 112.12 1xxi h ARG 262 Ca -0.00 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.33 1xxi h ARG 262 Cb 0.01 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 29.72 1xxi h ARG 262 CO 0.00 0.15 0.24 1.04 -1.07 0.00 0.00 179.97 180.33 1xxi n GLN 263 N -3.25 3.83 -4.25 0.04 6.02 0.61 -4.87 117.38 115.52 1xxi n GLN 263 Ca 0.01 -4.63 -0.33 0.00 -0.01 0.00 0.00 57.00 52.03 1xxi n GLN 263 Cb 0.44 -2.40 -0.15 0.00 1.02 0.00 0.00 30.24 29.15 1xxi n GLN 263 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1xxi s SER 264 N -2.12 3.54 0.00 1.08 1.04 -1.25 -4.31 113.70 111.68 1xxi s SER 264 Ca 0.36 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1xxi s SER 264 Cb 0.11 -1.56 0.00 0.00 0.10 0.00 0.00 66.02 64.68 1xxi s SER 264 CO 0.03 0.03 0.00 0.00 0.98 0.00 0.00 173.24 174.28 1xxi n ALA 265 N 4.43 0.00 -0.03 5.32 0.00 -1.26 -4.81 120.51 124.16 1xxi n ALA 265 Ca -0.20 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.09 1xxi n ALA 265 Cb 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 1xxi n ALA 265 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1xxi n HIS 266 N -2.00 0.91 -3.65 0.00 -0.00 -1.26 -4.98 115.22 104.24 1xxi n HIS 266 Ca 0.00 0.24 -0.02 0.00 -0.00 0.00 0.00 57.72 57.94 1xxi n HIS 266 Cb 0.00 -1.14 -0.07 0.00 -0.00 0.00 0.00 29.99 28.79 1xxi n HIS 266 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1xxi s THR 267 N -2.56 0.00 0.25 3.57 2.01 -1.26 -5.13 115.64 112.52 1xxi s THR 267 Ca -0.17 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.52 1xxi s THR 267 Cb 0.07 -1.00 -0.12 0.00 0.01 0.00 0.00 72.50 71.46 1xxi s THR 267 CO 0.77 0.00 1.59 -2.65 -0.69 0.00 0.00 174.62 173.65 1xxi n PRO 268 N 2.18 2.56 -0.11 4.92 -0.02 -1.26 -4.67 135.00 138.60 1xxi n PRO 268 Ca -0.13 0.92 0.07 0.00 -2.02 0.00 0.00 63.50 62.34 1xxi n PRO 268 Cb 0.57 -2.69 0.14 0.00 -0.02 0.00 0.00 33.50 31.49 1xxi n PRO 268 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1xxi n LEU 269 N 2.70 0.03 0.00 2.45 7.94 -1.26 -2.38 117.00 126.47 1xxi n LEU 269 Ca 0.12 0.54 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 1xxi n LEU 269 Cb 0.35 -0.23 0.00 0.00 0.53 0.00 0.00 43.42 44.07 1xxi n LEU 269 CO 0.64 -0.57 0.44 0.54 -1.11 0.00 0.00 177.39 177.32 1xxi n ARG 270 N -4.01 0.00 0.27 1.96 1.74 -1.26 -2.60 116.66 112.76 1xxi n ARG 270 Ca 0.10 0.75 0.10 0.00 -0.77 0.00 0.00 57.85 58.03 1xxi n ARG 270 Cb 0.32 -1.37 0.71 0.00 -1.02 0.00 0.00 32.46 31.11 1xxi n ARG 270 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xxi h ALA 271 N -1.44 1.81 -0.57 7.54 0.00 -1.84 -2.86 119.26 121.90 1xxi h ALA 271 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1xxi h ALA 271 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1xxi h ALA 271 CO 0.00 0.02 0.25 1.25 0.00 0.00 0.00 179.25 180.78 1xxi h LEU 272 N 0.00 0.77 -0.88 0.00 5.85 -1.56 -1.87 115.31 117.62 1xxi h LEU 272 Ca -0.00 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1xxi h LEU 272 Cb 0.04 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1xxi h LEU 272 CO 0.00 0.71 0.58 -0.26 -0.34 0.00 0.00 178.44 179.13 1xxi h PHE 273 N 0.78 1.11 -0.09 1.25 0.05 -1.25 -1.43 116.94 117.35 1xxi h PHE 273 Ca 0.19 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 62.01 1xxi h PHE 273 Cb 0.16 -0.37 -0.00 0.00 2.00 0.00 0.00 35.95 37.73 1xxi h PHE 273 CO 0.00 0.70 0.05 -0.44 -0.18 0.00 0.00 178.31 178.44 1xxi h ASP 274 N 1.19 0.11 -0.94 2.17 5.19 -1.56 -1.94 116.42 120.64 1xxi h ASP 274 Ca 0.32 -0.06 0.16 0.00 -0.62 0.00 0.00 57.03 56.83 1xxi h ASP 274 Cb -0.14 -0.03 -0.08 0.00 0.18 0.00 0.00 39.33 39.26 1xxi h ASP 274 CO -0.07 0.14 0.60 0.11 -3.12 0.00 0.00 179.24 176.89 1xxi h LYS 275 N 0.08 0.69 -0.01 3.56 1.79 -0.64 0.22 116.57 122.27 1xxi h LYS 275 Ca 0.03 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1xxi h LYS 275 Cb 0.05 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1xxi h LYS 275 CO -0.01 0.46 -0.23 0.72 -1.08 0.00 0.00 179.45 179.31 1xxi n HIS 276 N -4.60 0.00 -2.27 -1.35 8.25 -0.60 -4.98 115.22 109.66 1xxi n HIS 276 Ca 0.19 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.53 1xxi n HIS 276 Cb 0.51 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.46 1xxi n HIS 276 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1xxi n ARG 277 N -0.75 -2.10 -0.01 -0.41 1.74 0.06 -4.79 116.66 110.40 1xxi n ARG 277 Ca 0.12 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 1xxi n ARG 277 Cb 0.33 -5.13 -0.02 0.00 -1.02 0.00 0.00 32.46 26.62 1xxi n ARG 277 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1xxi n VAL 278 N -3.10 0.09 -1.40 1.55 0.31 -1.25 -4.93 118.33 109.59 1xxi n VAL 278 Ca -0.14 -0.09 -0.12 0.00 -0.01 0.00 0.00 64.34 63.99 1xxi n VAL 278 Cb 0.57 -0.18 -0.10 0.00 -0.91 0.00 0.00 33.84 33.22 1xxi n VAL 278 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38 1xxi n TRP 279 N -1.83 0.53 0.06 3.52 -0.00 -1.26 -4.70 117.44 113.76 1xxi n TRP 279 Ca -0.02 -0.05 0.01 0.00 -0.00 0.00 0.00 57.50 57.44 1xxi n TRP 279 Cb 0.31 -1.60 -0.01 0.00 -0.00 0.00 0.00 31.31 30.00 1xxi n TRP 279 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1xxi n GLN 280 N 6.75 4.11 0.00 5.87 10.64 -1.26 -4.77 117.38 138.73 1xxi n GLN 280 Ca 0.37 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.53 1xxi n GLN 280 Cb 0.40 -0.76 0.00 0.00 -0.86 0.00 0.00 30.24 29.02 1xxi n GLN 280 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1xxi n ASN 281 N -1.23 0.22 0.09 2.61 5.15 -1.26 -4.97 115.26 115.86 1xxi n ASN 281 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1xxi n ASN 281 Cb 0.04 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 1xxi n ASN 281 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1xxi n ARG 282 N -0.45 0.01 -3.29 1.20 1.74 -1.26 -3.70 116.66 110.91 1xxi n ARG 282 Ca 0.00 0.25 -0.44 0.00 -0.77 0.00 0.00 57.85 56.88 1xxi n ARG 282 Cb 0.02 -1.99 -0.07 0.00 -1.02 0.00 0.00 32.46 29.40 1xxi n ARG 282 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xxi s ARG 283 N -2.38 3.03 0.00 5.56 3.52 -1.26 0.14 118.95 127.55 1xxi s ARG 283 Ca 0.00 -1.26 0.00 0.00 -0.13 0.00 0.00 55.73 54.34 1xxi s ARG 283 Cb 0.00 -4.16 0.00 0.00 -1.56 0.00 0.00 34.95 29.23 1xxi s ARG 283 CO 0.00 -1.17 0.00 0.41 -0.81 0.00 0.00 175.30 173.73 1xxi n GLY 284 N 5.21 1.68 0.11 8.12 0.00 -1.24 -4.96 105.19 114.11 1xxi n GLY 284 Ca -0.11 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 1xxi n GLY 284 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1xxi h MET 285 N 0.00 0.27 -0.64 1.61 1.85 -0.81 0.30 114.93 117.51 1xxi h MET 285 Ca 0.00 -0.24 -0.01 0.00 -0.61 0.00 0.00 59.70 58.84 1xxi h MET 285 Cb 0.00 0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.06 1xxi h MET 285 CO 0.00 0.91 0.35 0.52 -0.40 0.00 0.00 176.91 178.29 1xxi h MET 286 N -0.29 0.90 0.00 0.39 2.07 0.85 -1.28 114.93 117.56 1xxi h MET 286 Ca -0.03 -0.11 -0.11 0.00 -2.07 0.00 0.00 59.70 57.39 1xxi h MET 286 Cb 0.98 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 30.52 1xxi h MET 286 CO 0.06 0.68 -0.53 0.78 1.07 0.00 0.00 176.91 178.97 1xxi h GLY 287 N 0.87 0.00 1.48 8.32 0.00 -1.78 -0.70 103.07 111.26 1xxi h GLY 287 Ca 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.45 1xxi h GLY 287 CO -0.04 0.00 -0.25 -2.09 0.00 0.00 0.00 176.54 174.16 1xxi h GLU 288 N 0.00 0.60 0.18 4.80 4.81 -0.46 -0.68 114.58 123.82 1xxi h GLU 288 Ca -0.01 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 1xxi h GLU 288 Cb 1.12 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1xxi h GLU 288 CO 0.07 0.80 -0.09 0.00 -0.73 0.00 0.00 179.01 179.07 1xxi h ALA 289 N 1.20 -0.24 -0.80 2.92 0.00 -0.87 -2.88 119.26 118.59 1xxi h ALA 289 Ca 0.07 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.96 1xxi h ALA 289 Cb 0.71 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1xxi h ALA 289 CO 0.05 -0.48 0.53 -0.07 0.00 0.00 0.00 179.25 179.28 1xxi h LEU 290 N -0.55 0.49 -0.99 0.00 3.38 -0.89 -2.20 115.31 114.54 1xxi h LEU 290 Ca -0.02 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xxi h LEU 290 Cb 0.41 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1xxi h LEU 290 CO 0.04 0.25 -0.01 0.78 0.09 0.00 0.00 178.44 179.60 1xxi h ASN 291 N 0.52 0.00 -0.01 -0.43 2.35 -0.91 -3.27 115.58 113.84 1xxi h ASN 291 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 1xxi h ASN 291 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1xxi h ASN 291 CO -0.15 0.01 0.00 -1.14 -1.65 0.00 0.00 177.43 174.50 1xxi n ARG 292 N -3.10 0.19 -3.72 0.81 3.00 -0.87 -4.95 116.66 108.03 1xxi n ARG 292 Ca 0.02 -0.82 -0.37 0.00 -0.00 0.00 0.00 57.85 56.68 1xxi n ARG 292 Cb 0.38 -1.01 -0.11 0.00 0.00 0.00 0.00 32.46 31.72 1xxi n ARG 292 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1xxi s LEU 293 N -0.32 3.84 0.46 6.15 1.43 -0.94 -5.06 118.68 124.25 1xxi s LEU 293 Ca 0.01 -0.03 -0.20 0.00 -1.03 0.00 0.00 54.13 52.88 1xxi s LEU 293 Cb 0.01 -2.04 -0.10 0.00 0.03 0.00 0.00 46.19 44.09 1xxi s LEU 293 CO 0.01 0.01 0.97 -0.94 0.23 0.00 0.00 176.35 176.63 1xxi s SER 294 N 1.36 6.80 0.33 2.29 1.04 -1.26 -4.86 113.70 119.40 1xxi s SER 294 Ca 0.06 1.67 0.12 0.00 0.48 0.00 0.00 55.95 58.29 1xxi s SER 294 Cb -0.15 -2.53 1.04 0.00 0.10 0.00 0.00 66.02 64.48 1xxi s SER 294 CO 0.06 -0.46 1.64 1.56 0.98 0.00 0.00 173.24 177.02 1xxi h GLN 295 N 1.59 0.21 -0.11 4.02 7.50 -1.96 0.52 115.11 126.88 1xxi h GLN 295 Ca -0.48 -0.01 -0.21 0.00 0.50 0.00 0.00 58.65 58.45 1xxi h GLN 295 Cb 1.18 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.67 1xxi h GLN 295 CO 0.61 0.14 -0.77 1.79 -1.50 0.00 0.00 178.83 179.09 1xxi h THR 296 N 0.22 1.33 0.23 -0.54 1.35 -2.00 -3.05 112.91 110.44 1xxi h THR 296 Ca 0.71 -2.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1xxi h THR 296 Cb 1.64 2.08 -0.02 0.00 -1.73 0.00 0.00 68.15 70.12 1xxi h THR 296 CO -0.67 0.64 -0.21 1.56 -0.25 0.00 0.00 175.52 176.59 1xxi h GLN 297 N 0.40 -0.45 -1.05 4.72 4.20 -0.34 -1.15 115.11 121.43 1xxi h GLN 297 Ca -0.05 0.03 0.28 0.00 0.06 0.00 0.00 58.65 58.97 1xxi h GLN 297 Cb 1.38 0.10 -0.10 0.00 0.30 0.00 0.00 27.48 29.16 1xxi h GLN 297 CO 0.15 -0.30 0.67 1.25 -0.67 0.00 0.00 178.83 179.93 1xxi h LEU 298 N -0.47 0.46 0.31 1.46 5.85 -1.34 0.90 115.31 122.48 1xxi h LEU 298 Ca -0.00 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1xxi h LEU 298 Cb 0.43 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1xxi h LEU 298 CO -0.04 0.07 -0.15 -0.09 -0.34 0.00 0.00 178.44 177.89 1xxi h ARG 299 N 0.39 -0.40 -1.00 1.25 2.43 -1.12 -2.88 114.38 113.05 1xxi h ARG 299 Ca 0.62 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.99 1xxi h ARG 299 Cb 1.55 0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 31.09 1xxi h ARG 299 CO -0.33 -0.09 0.61 1.96 -1.51 0.00 0.00 179.97 180.61 1xxi h GLN 300 N -0.75 0.77 0.00 0.20 4.20 -0.10 1.20 115.11 120.64 1xxi h GLN 300 Ca -0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1xxi h GLN 300 Cb 0.50 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1xxi h GLN 300 CO 0.07 0.51 -0.08 0.00 -0.67 0.00 0.00 178.83 178.66 1xxi h ALA 301 N 1.63 1.27 0.00 3.87 0.00 -1.21 -1.60 119.26 123.23 1xxi h ALA 301 Ca 0.56 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 55.22 1xxi h ALA 301 Cb 0.82 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1xxi h ALA 301 CO -0.36 0.10 -0.85 0.28 0.00 0.00 0.00 179.25 178.41 1xxi h VAL 302 N 0.00 1.50 -0.07 0.00 2.07 0.17 -2.77 116.25 117.14 1xxi h VAL 302 Ca -0.00 -3.04 -0.05 0.00 0.82 0.00 0.00 66.70 64.43 1xxi h VAL 302 Cb 0.26 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1xxi h VAL 302 CO 0.01 0.84 -0.15 1.56 0.02 0.00 0.00 177.57 179.85 1xxi h GLN 303 N 0.00 0.23 0.05 1.57 1.08 -1.00 -2.32 115.11 114.73 1xxi h GLN 303 Ca -0.01 -0.15 0.02 0.00 -1.45 0.00 0.00 58.65 57.06 1xxi h GLN 303 Cb 1.63 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 29.05 1xxi h GLN 303 CO 0.11 0.74 -0.18 -0.07 -0.95 0.00 0.00 178.83 178.48 1xxi h LEU 304 N -0.25 -0.51 -1.32 1.46 3.38 -1.52 0.85 115.31 117.40 1xxi h LEU 304 Ca 0.00 0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.17 1xxi h LEU 304 Cb 0.73 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1xxi h LEU 304 CO 0.03 -0.25 0.56 0.25 0.09 0.00 0.00 178.44 179.12 1xxi h LEU 305 N -0.32 0.64 -0.02 1.67 6.46 -1.53 -0.67 115.31 121.53 1xxi h LEU 305 Ca 0.04 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1xxi h LEU 305 Cb 0.36 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1xxi h LEU 305 CO -0.13 0.34 -0.01 0.74 -0.62 0.00 0.00 178.44 178.76 1xxi h THR 306 N 0.68 1.33 0.25 1.05 2.02 -0.62 0.55 112.91 118.17 1xxi h THR 306 Ca 0.42 -0.99 0.01 0.00 0.77 0.00 0.00 66.41 66.63 1xxi h THR 306 Cb 0.67 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 1xxi h THR 306 CO -0.18 0.26 -0.40 0.03 0.37 0.00 0.00 175.52 175.60 1xxi h ARG 307 N -0.35 -0.69 -0.72 6.66 3.08 0.03 -0.07 114.38 122.31 1xxi h ARG 307 Ca 0.01 0.05 0.16 0.00 0.07 0.00 0.00 59.98 60.26 1xxi h ARG 307 Cb 0.43 0.16 -0.12 0.00 0.08 0.00 0.00 29.97 30.51 1xxi h ARG 307 CO 0.00 -0.46 0.01 1.15 -1.07 0.00 0.00 179.97 179.61 1xxi h THR 308 N -0.72 0.38 -0.01 2.04 2.02 -1.18 1.26 112.91 116.70 1xxi h THR 308 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1xxi h THR 308 Cb 0.69 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1xxi h THR 308 CO -0.16 0.02 0.01 -0.08 0.37 0.00 0.00 175.52 175.69 1xxi h GLU 309 N 0.11 0.00 0.08 6.66 4.57 0.45 0.82 114.58 127.28 1xxi h GLU 309 Ca 0.39 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 58.25 1xxi h GLU 309 Cb 0.68 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 1xxi h GLU 309 CO -0.63 0.00 -1.73 -0.07 -1.18 0.00 0.00 179.01 175.40 1xxi h LEU 310 N 0.00 0.28 -1.34 1.64 3.38 0.17 -3.26 115.31 116.18 1xxi h LEU 310 Ca 0.01 -0.80 0.13 0.00 0.09 0.00 0.00 57.88 57.31 1xxi h LEU 310 Cb 0.03 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1xxi h LEU 310 CO -0.00 1.73 0.56 0.74 0.09 0.00 0.00 178.44 181.56 1xxi h THR 311 N -0.31 0.85 0.00 0.22 2.02 0.16 1.09 112.91 116.95 1xxi h THR 311 Ca -0.40 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1xxi h THR 311 Cb 1.78 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1xxi h THR 311 CO -0.01 0.12 0.00 -0.11 0.37 0.00 0.00 175.52 175.89 1xxi n LEU 312 N -4.54 0.68 0.00 2.58 7.94 0.26 -3.25 117.00 120.66 1xxi n LEU 312 Ca 0.16 0.58 0.00 0.00 -1.11 0.00 0.00 56.01 55.64 1xxi n LEU 312 Cb 0.45 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 44.02 1xxi n LEU 312 CO 0.30 -0.21 0.23 0.29 -1.11 0.00 0.00 177.39 176.90 1xxi n LYS 313 N -2.15 -0.66 -0.11 1.96 5.02 0.18 -3.97 118.16 118.42 1xxi n LYS 313 Ca 0.05 -0.47 -0.23 0.00 -2.02 0.00 0.00 58.31 55.65 1xxi n LYS 313 Cb 0.39 -0.97 -0.08 0.00 -0.02 0.00 0.00 35.03 34.36 1xxi n LYS 313 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xxi n GLN 314 N -0.04 0.45 0.05 1.97 6.02 0.32 -4.49 117.38 121.67 1xxi n GLN 314 Ca 0.00 0.20 0.12 0.00 -0.01 0.00 0.00 57.00 57.31 1xxi n GLN 314 Cb 0.01 -1.26 0.24 0.00 1.02 0.00 0.00 30.24 30.24 1xxi n GLN 314 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1xxi n ASP 315 N -3.97 0.63 -3.80 1.08 8.00 -1.20 -5.01 116.55 112.29 1xxi n ASP 315 Ca -0.42 0.13 -0.34 0.00 0.71 0.00 0.00 54.79 54.86 1xxi n ASP 315 Cb 0.80 0.03 0.03 0.00 -0.02 0.00 0.00 41.12 41.96 1xxi n ASP 315 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1xxi n TYR 316 N -1.98 -1.77 0.00 1.24 4.02 -1.25 -4.57 117.16 112.84 1xxi n TYR 316 Ca 0.04 0.40 0.00 0.00 -0.01 0.00 0.00 57.90 58.33 1xxi n TYR 316 Cb 0.41 -3.32 0.00 0.00 -0.02 0.00 0.00 39.34 36.41 1xxi n TYR 316 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xxi n GLY 317 N -1.81 0.11 1.48 2.72 0.00 -1.26 -5.04 105.19 101.39 1xxi n GLY 317 Ca -0.12 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 45.89 1xxi n GLY 317 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xxi n GLN 318 N 0.00 3.48 -3.40 1.61 6.02 -1.26 -4.97 117.38 118.86 1xxi n GLN 318 Ca 0.00 -3.03 -0.17 0.00 -0.01 0.00 0.00 57.00 53.79 1xxi n GLN 318 Cb 0.00 -2.05 0.03 0.00 1.02 0.00 0.00 30.24 29.24 1xxi n GLN 318 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1xxi n SER 319 N -0.23 -6.34 -0.07 1.08 3.41 -1.26 -4.91 113.62 105.30 1xxi n SER 319 Ca 0.30 -0.66 0.09 0.00 -0.26 0.00 0.00 58.87 58.34 1xxi n SER 319 Cb 1.13 -4.21 0.46 0.00 -0.26 0.00 0.00 64.21 61.33 1xxi n SER 319 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1xxi h VAL 320 N -0.82 0.97 -0.97 -3.33 2.07 -1.95 -3.10 116.25 109.13 1xxi h VAL 320 Ca -0.46 -0.17 0.31 0.00 0.82 0.00 0.00 66.70 67.21 1xxi h VAL 320 Cb 1.25 0.43 -0.17 0.00 -1.52 0.00 0.00 31.29 31.28 1xxi h VAL 320 CO 0.41 0.09 0.32 -0.50 0.02 0.00 0.00 177.57 177.91 1xxi h TRP 321 N 0.50 0.48 -0.15 1.57 4.06 -1.99 0.32 115.95 120.73 1xxi h TRP 321 Ca 0.25 0.05 0.05 0.00 2.06 0.00 0.00 58.89 61.30 1xxi h TRP 321 Cb 0.33 -0.05 -0.06 0.00 -1.00 0.00 0.00 29.16 28.38 1xxi h TRP 321 CO -0.00 -0.35 -0.22 0.00 -3.56 0.00 0.00 178.44 174.31 1xxi h ALA 322 N 1.92 -0.17 -0.25 1.49 0.00 -1.91 -1.10 119.26 119.22 1xxi h ALA 322 Ca 0.68 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.64 1xxi h ALA 322 Cb 1.58 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1xxi h ALA 322 CO -0.76 -0.68 0.12 0.93 0.00 0.00 0.00 179.25 178.87 1xxi h GLU 323 N -0.27 0.34 -0.19 0.00 5.08 -0.58 -0.51 114.58 118.45 1xxi h GLU 323 Ca 0.11 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1xxi h GLU 323 Cb 0.43 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1xxi h GLU 323 CO -0.31 0.27 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.71 1xxi h LEU 324 N 0.35 0.31 0.03 1.33 3.38 -0.32 0.88 115.31 121.26 1xxi h LEU 324 Ca 0.09 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xxi h LEU 324 Cb 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xxi h LEU 324 CO -0.01 0.51 -0.01 -0.08 0.09 0.00 0.00 178.44 178.93 1xxi h GLU 325 N 0.29 -0.04 -0.28 1.13 4.81 -0.17 -1.34 114.58 118.99 1xxi h GLU 325 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1xxi h GLU 325 Cb 0.49 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1xxi h GLU 325 CO 0.03 0.40 0.11 0.78 -0.73 0.00 0.00 179.01 179.61 1xxi h GLY 326 N -0.49 0.41 0.88 1.92 0.00 -0.49 -2.36 103.07 102.94 1xxi h GLY 326 Ca -0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 1xxi h GLY 326 CO 0.01 0.17 -0.30 -2.00 0.00 0.00 0.00 176.54 174.42 1xxi h LEU 327 N 0.39 0.61 -2.35 3.11 6.46 0.89 -2.92 115.31 121.49 1xxi h LEU 327 Ca 0.10 -0.52 -0.01 0.00 -0.12 0.00 0.00 57.88 57.33 1xxi h LEU 327 Cb 0.08 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 39.83 1xxi h LEU 327 CO -0.01 1.01 -0.03 0.77 -0.62 0.00 0.00 178.44 179.56 1xxi h SER 328 N 0.23 0.00 1.35 1.25 4.64 -0.74 -1.72 113.55 118.54 1xxi h SER 328 Ca 0.02 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.21 1xxi h SER 328 Cb 0.88 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 1xxi h SER 328 CO 0.07 0.03 -0.66 -0.07 -0.87 0.00 0.00 176.83 175.33 1xxi h LEU 329 N 0.00 0.00 -0.49 5.97 3.38 -1.26 -3.30 115.31 119.61 1xxi h LEU 329 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1xxi h LEU 329 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1xxi h LEU 329 CO 0.00 0.62 -0.66 0.25 0.09 0.00 0.00 178.44 178.74 1xxi h LEU 330 N 0.00 0.00 0.00 1.67 7.12 -1.21 -3.13 115.31 119.76 1xxi h LEU 330 Ca -0.02 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.99 1xxi h LEU 330 Cb 1.48 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.61 1xxi h LEU 330 CO 0.08 0.66 0.00 0.18 -0.13 0.00 0.00 178.44 179.23 1xxi n LEU 331 N -3.55 0.00 0.00 2.25 4.77 -1.21 -3.68 117.00 115.58 1xxi n LEU 331 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1xxi n LEU 331 Cb 0.70 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 1xxi n LEU 331 CO 0.42 0.00 -0.24 0.00 -1.33 0.00 0.00 177.39 176.25 1xxi s HIS 333 N -1.28 2.18 0.14 0.00 3.76 -1.19 -5.05 115.29 113.86 1xxi s HIS 333 Ca 0.00 -0.40 -0.31 0.00 -0.15 0.00 0.00 55.06 54.20 1xxi s HIS 333 Cb 0.00 -1.24 -0.09 0.00 1.11 0.00 0.00 32.58 32.36 1xxi s HIS 333 CO 0.00 0.22 1.49 0.15 -0.85 0.00 0.00 174.74 175.75 1xxi s LYS 334 N -1.64 4.26 0.62 1.40 1.02 -1.26 -4.78 119.74 119.37 1xxi s LYS 334 Ca 0.11 2.24 0.02 0.00 0.02 0.00 0.00 55.97 58.36 1xxi s LYS 334 Cb -0.10 -3.19 0.08 0.00 -0.52 0.00 0.00 37.83 34.10 1xxi s LYS 334 CO 0.04 -0.54 0.87 -1.25 -0.92 0.00 0.00 175.35 173.55 1xxi s PRO 335 N 1.13 2.13 0.53 -1.68 0.04 -1.26 -5.14 135.00 130.76 1xxi s PRO 335 Ca 0.68 -1.06 0.02 0.00 0.04 0.00 0.00 61.00 60.68 1xxi s PRO 335 Cb -0.41 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 31.70 1xxi s PRO 335 CO 0.31 -1.04 0.14 -0.51 0.04 0.00 0.00 177.00 175.94 1xxi s LEU 336 N -4.90 2.37 -0.45 -3.56 1.43 -1.26 -5.05 118.68 107.26 1xxi s LEU 336 Ca 0.62 -1.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.17 1xxi s LEU 336 Cb -0.07 -0.86 0.42 0.00 0.03 0.00 0.00 46.19 45.71 1xxi s LEU 336 CO 0.41 -0.99 1.90 0.00 0.23 0.00 0.00 176.35 177.90 1xxi n ALA 337 N -1.47 5.43 0.36 4.21 0.00 -1.26 -5.15 120.51 122.63 1xxi n ALA 337 Ca -0.14 -2.51 0.04 0.00 0.00 0.00 0.00 53.44 50.83 1xxi n ALA 337 Cb 0.66 -1.50 0.04 0.00 0.00 0.00 0.00 19.45 18.65 1xxi n ALA 337 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25