#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xi2 n GLY 2 N 0.00 -2.17 3.06 0.00 0.00 -1.26 -4.97 105.19 99.86 1xi2 n GLY 2 Ca 0.00 -1.20 -0.16 0.00 0.00 0.00 0.00 46.02 44.67 1xi2 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xi2 s LYS 3 N -2.54 0.62 -0.10 1.61 -0.14 -1.26 -5.06 119.74 112.87 1xi2 s LYS 3 Ca 0.00 -0.63 0.00 0.00 -1.36 0.00 0.00 55.97 53.98 1xi2 s LYS 3 Cb 0.00 -0.51 -0.02 0.00 -1.68 0.00 0.00 37.83 35.61 1xi2 s LYS 3 CO 0.00 0.12 -0.09 0.15 -0.76 0.00 0.00 175.35 174.77 1xi2 s LYS 4 N -1.13 3.09 -0.03 1.68 1.02 -1.26 -1.13 119.74 121.97 1xi2 s LYS 4 Ca -0.04 -0.61 0.04 0.00 0.02 0.00 0.00 55.97 55.39 1xi2 s LYS 4 Cb -0.08 -2.64 -0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1xi2 s LYS 4 CO 0.01 0.44 -0.16 0.08 -0.92 0.00 0.00 175.35 174.80 1xi2 s VAL 5 N -0.21 1.30 -0.13 3.17 1.01 0.71 -0.02 120.40 126.23 1xi2 s VAL 5 Ca 0.02 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1xi2 s VAL 5 Cb -0.13 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1xi2 s VAL 5 CO 0.03 0.38 -0.17 -0.22 0.00 0.00 0.00 175.10 175.11 1xi2 s LEU 6 N -0.04 2.43 -0.26 3.92 2.96 -0.14 -1.45 118.68 126.10 1xi2 s LEU 6 Ca -0.01 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.41 1xi2 s LEU 6 Cb -0.10 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.07 1xi2 s LEU 6 CO 0.01 0.14 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.55 1xi2 s ILE 7 N 0.48 3.46 -0.41 6.68 1.09 0.28 -0.66 121.20 132.11 1xi2 s ILE 7 Ca -0.12 -0.71 -0.16 0.00 -1.10 0.00 0.00 60.65 58.55 1xi2 s ILE 7 Cb -0.16 -2.71 0.02 0.00 -1.06 0.00 0.00 42.46 38.55 1xi2 s ILE 7 CO 0.05 0.23 0.39 -0.69 -0.10 0.00 0.00 174.94 174.82 1xi2 s VAL 8 N 1.44 5.15 -0.16 2.92 1.01 0.36 -0.56 120.40 130.55 1xi2 s VAL 8 Ca 0.03 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1xi2 s VAL 8 Cb -0.16 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1xi2 s VAL 8 CO -0.01 -0.37 -0.03 -0.47 0.00 0.00 0.00 175.10 174.22 1xi2 s TYR 9 N 1.99 3.04 -0.59 5.22 5.04 -0.40 -0.98 117.35 130.67 1xi2 s TYR 9 Ca 0.10 -0.30 0.06 0.00 -2.44 0.00 0.00 57.07 54.49 1xi2 s TYR 9 Cb -0.18 -1.97 0.21 0.00 0.35 0.00 0.00 41.96 40.37 1xi2 s TYR 9 CO 0.12 -0.05 0.55 0.00 -1.34 0.00 0.00 175.55 174.84 1xi2 n ALA 10 N 3.60 3.38 -3.14 3.97 0.00 -0.28 -1.91 120.51 126.13 1xi2 n ALA 10 Ca -0.17 -4.18 -0.13 0.00 0.00 0.00 0.00 53.44 48.96 1xi2 n ALA 10 Cb 0.52 -0.91 -0.11 0.00 0.00 0.00 0.00 19.45 18.95 1xi2 n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1xi2 s HIS 11 N -1.48 -0.28 -0.15 0.00 5.04 -1.26 -4.36 115.29 112.81 1xi2 s HIS 11 Ca 0.33 0.67 0.24 0.00 -1.54 0.00 0.00 55.06 54.75 1xi2 s HIS 11 Cb 0.06 0.09 0.61 0.00 0.04 0.00 0.00 32.58 33.39 1xi2 s HIS 11 CO -0.12 -0.14 1.70 1.96 -2.34 0.00 0.00 174.74 175.80 1xi2 h GLN 12 N 5.71 0.00 -4.96 2.88 7.50 -1.99 -3.44 115.11 120.81 1xi2 h GLN 12 Ca -0.26 0.00 -0.66 0.00 0.50 0.00 0.00 58.65 58.23 1xi2 h GLN 12 Cb 1.19 0.00 -0.30 0.00 0.05 0.00 0.00 27.48 28.43 1xi2 h GLN 12 CO 0.35 0.15 -0.74 -2.00 -1.50 0.00 0.00 178.83 175.09 1xi2 s GLU 13 N -3.34 3.15 0.42 1.46 2.56 -1.26 -5.00 118.70 116.69 1xi2 s GLU 13 Ca 0.04 -0.77 0.10 0.00 0.00 0.00 0.00 54.97 54.34 1xi2 s GLU 13 Cb 0.07 -2.98 0.94 0.00 2.00 0.00 0.00 34.13 34.16 1xi2 s GLU 13 CO 0.65 -0.28 2.01 -1.35 -0.56 0.00 0.00 175.26 175.73 1xi2 h PRO 14 N 8.08 0.48 -0.02 4.30 0.11 -1.98 -1.58 132.00 141.38 1xi2 h PRO 14 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1xi2 h PRO 14 Cb 1.14 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1xi2 h PRO 14 CO 0.60 0.32 0.00 1.63 -0.21 0.00 0.00 178.00 180.34 1xi2 n LYS 15 N -4.47 1.20 -1.16 1.05 5.02 -1.26 -4.35 118.16 114.19 1xi2 n LYS 15 Ca 0.07 -0.30 -0.29 0.00 -2.02 0.00 0.00 58.31 55.77 1xi2 n LYS 15 Cb 0.23 -1.44 0.17 0.00 -0.02 0.00 0.00 35.03 33.98 1xi2 n LYS 15 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xi2 s SER 16 N -1.86 2.82 0.20 4.39 1.04 -0.60 -4.82 113.70 114.88 1xi2 s SER 16 Ca 0.40 1.30 -0.08 0.00 0.48 0.00 0.00 55.95 58.04 1xi2 s SER 16 Cb 0.19 -1.97 0.14 0.00 0.10 0.00 0.00 66.02 64.48 1xi2 s SER 16 CO 0.32 -3.02 1.76 0.15 0.98 0.00 0.00 173.24 173.42 1xi2 h PHE 17 N -1.82 1.17 -0.76 5.02 3.57 -1.91 -0.89 116.94 121.32 1xi2 h PHE 17 Ca -0.53 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 60.85 1xi2 h PHE 17 Cb 1.32 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 1xi2 h PHE 17 CO 0.33 0.90 0.40 -0.91 -2.23 0.00 0.00 178.31 176.81 1xi2 h ASN 18 N 1.10 0.97 -0.83 0.41 2.35 -1.92 -0.75 115.58 116.91 1xi2 h ASN 18 Ca 0.25 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1xi2 h ASN 18 Cb 0.25 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1xi2 h ASN 18 CO -0.02 0.80 0.49 1.23 -1.65 0.00 0.00 177.43 178.29 1xi2 h GLY 19 N 1.06 1.20 1.24 2.83 0.00 -1.58 -0.40 103.07 107.42 1xi2 h GLY 19 Ca 0.27 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1xi2 h GLY 19 CO -0.04 0.49 0.01 1.76 0.00 0.00 0.00 176.54 178.76 1xi2 h SER 20 N 1.13 0.89 -0.40 0.19 0.02 -0.57 0.32 113.55 115.13 1xi2 h SER 20 Ca 0.30 -0.23 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1xi2 h SER 20 Cb -0.04 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1xi2 h SER 20 CO -0.06 0.95 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.37 1xi2 h LEU 21 N 0.85 0.87 -0.39 5.07 3.38 -0.63 -0.42 115.31 124.04 1xi2 h LEU 21 Ca 0.16 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1xi2 h LEU 21 Cb 0.49 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1xi2 h LEU 21 CO 0.02 1.01 -0.05 0.50 0.09 0.00 0.00 178.44 180.02 1xi2 h LYS 22 N 0.77 0.72 -0.38 1.13 3.11 -0.75 -2.26 116.57 118.91 1xi2 h LYS 22 Ca 0.12 -0.26 -0.08 0.00 -2.81 0.00 0.00 60.65 57.62 1xi2 h LYS 22 Cb 0.66 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.82 1xi2 h LYS 22 CO 0.05 0.84 -0.10 -0.91 -2.81 0.00 0.00 179.45 176.52 1xi2 h ASN 23 N 0.54 0.65 -0.38 4.20 2.35 -0.71 -1.17 115.58 121.06 1xi2 h ASN 23 Ca 0.10 -0.18 -0.10 0.00 -0.55 0.00 0.00 56.30 55.58 1xi2 h ASN 23 Cb 0.55 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1xi2 h ASN 23 CO 0.03 0.78 -0.12 0.58 -1.65 0.00 0.00 177.43 177.05 1xi2 h VAL 24 N 0.61 1.26 -0.35 2.81 2.07 -1.01 -0.09 116.25 121.56 1xi2 h VAL 24 Ca 0.11 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 1xi2 h VAL 24 Cb 0.53 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1xi2 h VAL 24 CO 0.03 0.42 0.05 0.00 0.02 0.00 0.00 177.57 178.08 1xi2 h ALA 25 N 1.11 0.46 -0.21 1.67 0.00 -1.00 -0.56 119.26 120.73 1xi2 h ALA 25 Ca 0.12 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xi2 h ALA 25 Cb 0.62 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xi2 h ALA 25 CO 0.04 0.18 0.12 0.28 0.00 0.00 0.00 179.25 179.87 1xi2 h VAL 26 N 0.42 1.10 0.15 0.00 2.07 -1.00 -0.93 116.25 118.05 1xi2 h VAL 26 Ca 0.10 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1xi2 h VAL 26 Cb 0.37 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1xi2 h VAL 26 CO 0.01 0.10 -0.13 0.44 0.02 0.00 0.00 177.57 178.01 1xi2 h ASP 27 N 0.25 -0.34 -0.26 0.57 3.32 -0.84 -0.11 116.42 119.01 1xi2 h ASP 27 Ca 0.08 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1xi2 h ASP 27 Cb 0.05 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1xi2 h ASP 27 CO -0.01 -0.20 0.01 -0.08 -1.72 0.00 0.00 179.24 177.24 1xi2 h GLU 28 N -0.29 0.45 -0.29 3.56 4.57 -1.07 -0.33 114.58 121.18 1xi2 h GLU 28 Ca -0.00 -0.14 -0.10 0.00 -1.18 0.00 0.00 59.36 57.94 1xi2 h GLU 28 Cb 0.27 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1xi2 h GLU 28 CO -0.02 0.61 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.10 1xi2 h LEU 29 N 0.24 0.57 -0.55 1.64 3.38 -1.18 -1.78 115.31 117.64 1xi2 h LEU 29 Ca 0.07 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1xi2 h LEU 29 Cb 0.40 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1xi2 h LEU 29 CO 0.01 0.81 -0.14 -1.28 0.09 0.00 0.00 178.44 177.93 1xi2 h SER 30 N 0.50 1.03 -0.44 -0.43 0.87 -0.91 -1.48 113.55 112.70 1xi2 h SER 30 Ca 0.07 -0.36 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 1xi2 h SER 30 Cb 0.69 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1xi2 h SER 30 CO 0.05 1.16 0.19 -0.09 -0.53 0.00 0.00 176.83 177.61 1xi2 h ARG 31 N 0.90 0.71 0.00 2.24 2.43 -0.71 -1.47 114.38 118.48 1xi2 h ARG 31 Ca 0.13 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1xi2 h ARG 31 Cb 0.71 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1xi2 h ARG 31 CO 0.05 0.59 0.00 1.04 -1.51 0.00 0.00 179.97 180.14 1xi2 n GLN 32 N -4.34 0.15 -0.20 0.20 6.02 -0.70 -4.86 117.38 113.64 1xi2 n GLN 32 Ca 0.04 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 1xi2 n GLN 32 Cb 0.16 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.65 1xi2 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xi2 n GLY 33 N 0.09 0.85 3.80 1.08 0.00 -0.55 -5.07 105.19 105.38 1xi2 n GLY 33 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1xi2 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xi2 s THR 35 N -2.55 5.02 -0.05 0.00 2.01 -0.29 -4.54 115.64 115.24 1xi2 s THR 35 Ca 0.63 1.17 0.04 0.00 0.31 0.00 0.00 61.69 63.84 1xi2 s THR 35 Cb -0.16 -3.94 -0.00 0.00 0.01 0.00 0.00 72.50 68.41 1xi2 s THR 35 CO 0.41 0.11 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.57 1xi2 s VAL 36 N 1.94 1.56 -0.01 3.82 1.01 -1.26 -0.21 120.40 127.26 1xi2 s VAL 36 Ca 0.28 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1xi2 s VAL 36 Cb -0.16 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1xi2 s VAL 36 CO 0.10 0.45 -0.10 -0.89 0.00 0.00 0.00 175.10 174.65 1xi2 s THR 37 N 0.09 0.82 -0.09 3.92 2.01 -0.53 -5.00 115.64 116.88 1xi2 s THR 37 Ca -0.06 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.53 1xi2 s THR 37 Cb -0.13 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.69 1xi2 s THR 37 CO 0.03 0.24 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.30 1xi2 s VAL 38 N -0.20 1.77 -0.53 3.82 1.01 -1.26 -0.56 120.40 124.45 1xi2 s VAL 38 Ca 0.03 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 1xi2 s VAL 38 Cb -0.04 -1.55 0.14 0.00 0.00 0.00 0.00 36.38 34.93 1xi2 s VAL 38 CO -0.00 0.50 0.41 -0.44 0.00 0.00 0.00 175.10 175.56 1xi2 s SER 39 N 0.39 5.79 -1.03 3.32 0.01 0.27 -4.96 113.70 117.49 1xi2 s SER 39 Ca -0.16 -2.10 -0.19 0.00 1.31 0.00 0.00 55.95 54.80 1xi2 s SER 39 Cb -0.17 -2.03 0.10 0.00 0.21 0.00 0.00 66.02 64.14 1xi2 s SER 39 CO 0.07 -0.65 1.33 -0.62 0.41 0.00 0.00 173.24 173.78 1xi2 s ASP 40 N 2.43 6.66 0.21 2.44 -1.08 -1.26 -1.27 116.67 124.81 1xi2 s ASP 40 Ca 0.08 -2.01 -0.10 0.00 -0.52 0.00 0.00 52.55 50.00 1xi2 s ASP 40 Cb -0.24 -2.47 0.30 0.00 -1.46 0.00 0.00 42.92 39.04 1xi2 s ASP 40 CO -0.02 -1.18 1.68 -0.07 0.52 0.00 0.00 175.17 176.10 1xi2 h LEU 41 N 11.33 -0.17 -0.62 -1.34 3.38 -1.76 -1.15 115.31 124.98 1xi2 h LEU 41 Ca 0.22 0.14 -0.11 0.00 0.09 0.00 0.00 57.88 58.21 1xi2 h LEU 41 Cb 0.99 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1xi2 h LEU 41 CO 1.27 -0.07 -0.15 1.88 0.09 0.00 0.00 178.44 181.46 1xi2 h TYR 42 N 0.17 1.04 -0.01 1.13 0.05 -1.85 -1.21 116.97 116.30 1xi2 h TYR 42 Ca 0.32 -0.22 -0.06 0.00 0.05 0.00 0.00 58.73 58.82 1xi2 h TYR 42 Cb 0.51 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1xi2 h TYR 42 CO -0.32 1.00 -0.29 0.00 -1.05 0.00 0.00 178.16 177.51 1xi2 h ALA 43 N 1.00 1.50 -0.00 3.88 0.00 -1.75 -1.72 119.26 122.17 1xi2 h ALA 43 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xi2 h ALA 43 Cb 0.69 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1xi2 h ALA 43 CO 0.05 0.37 -0.15 -1.33 0.00 0.00 0.00 179.25 178.20 1xi2 n MET 44 N -4.19 0.29 -3.80 0.00 2.81 -0.49 -4.91 117.12 106.84 1xi2 n MET 44 Ca -0.02 -0.09 -0.28 0.00 -1.81 0.00 0.00 57.70 55.50 1xi2 n MET 44 Cb 0.34 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.39 1xi2 n MET 44 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1xi2 n ASN 45 N -1.28 -5.28 -4.64 7.83 3.02 -0.65 -4.82 115.26 109.45 1xi2 n ASN 45 Ca 0.10 -0.69 -0.48 0.00 -0.03 0.00 0.00 54.58 53.47 1xi2 n ASN 45 Cb 0.31 -4.19 -0.05 0.00 -0.61 0.00 0.00 39.78 35.23 1xi2 n ASN 45 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1xi2 n PHE 46 N -4.76 2.00 -2.39 3.10 7.35 -0.54 -4.90 117.46 117.32 1xi2 n PHE 46 Ca 0.03 0.40 -0.43 0.00 -0.76 0.00 0.00 57.45 56.70 1xi2 n PHE 46 Cb 0.54 -2.47 -0.02 0.00 0.35 0.00 0.00 39.48 37.88 1xi2 n PHE 46 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1xi2 s GLU 47 N 0.78 4.22 0.12 -4.13 2.56 -1.26 -4.93 118.70 116.07 1xi2 s GLU 47 Ca 0.81 1.69 0.21 0.00 0.00 0.00 0.00 54.97 57.67 1xi2 s GLU 47 Cb -0.78 -3.79 -0.09 0.00 2.00 0.00 0.00 34.13 31.48 1xi2 s GLU 47 CO 0.41 -0.73 0.89 -2.30 -0.56 0.00 0.00 175.26 172.97 1xi2 n PRO 48 N 6.68 0.62 -2.40 4.30 -0.02 -1.26 -4.69 135.00 138.22 1xi2 n PRO 48 Ca 0.14 0.12 -0.41 0.00 -2.02 0.00 0.00 63.50 61.33 1xi2 n PRO 48 Cb 0.45 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 1xi2 n PRO 48 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1xi2 s ARG 49 N -3.22 4.50 -0.58 -0.52 0.52 -1.26 -4.35 118.95 114.04 1xi2 s ARG 49 Ca -0.02 1.84 -0.22 0.00 -0.52 0.00 0.00 55.73 56.80 1xi2 s ARG 49 Cb 0.10 -3.26 0.06 0.00 0.52 0.00 0.00 34.95 32.36 1xi2 s ARG 49 CO 0.81 -0.09 0.87 0.00 0.02 0.00 0.00 175.30 176.91 1xi2 s ALA 50 N 0.09 3.20 0.32 2.13 0.00 -1.26 -4.99 121.76 121.25 1xi2 s ALA 50 Ca 0.53 -1.57 0.03 0.00 0.00 0.00 0.00 51.96 50.96 1xi2 s ALA 50 Cb -0.32 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 1xi2 s ALA 50 CO 0.35 -2.42 0.14 0.95 0.00 0.00 0.00 175.76 174.78 1xi2 s THR 51 N 3.65 0.48 -1.53 0.00 -4.23 -1.26 -5.02 115.64 107.74 1xi2 s THR 51 Ca 0.24 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.89 1xi2 s THR 51 Cb -0.16 -2.52 0.26 0.00 1.34 0.00 0.00 72.50 71.43 1xi2 s THR 51 CO 0.14 0.00 1.34 -0.90 -0.54 0.00 0.00 174.62 174.66 1xi2 n ASP 52 N -0.95 0.00 0.00 3.99 5.68 -1.26 -1.72 116.55 122.30 1xi2 n ASP 52 Ca -0.01 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.41 1xi2 n ASP 52 Cb 0.65 -0.24 0.58 0.00 -1.14 0.00 0.00 41.12 40.97 1xi2 n ASP 52 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1xi2 n LYS 53 N -1.24 0.09 0.00 0.11 5.02 -1.26 -2.87 118.16 118.01 1xi2 n LYS 53 Ca 0.07 0.05 0.15 0.00 -2.02 0.00 0.00 58.31 56.56 1xi2 n LYS 53 Cb 0.10 -1.50 0.76 0.00 -0.02 0.00 0.00 35.03 34.37 1xi2 n LYS 53 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1xi2 n ASP 54 N -1.45 0.00 -4.28 4.39 8.00 -0.70 -4.68 116.55 117.83 1xi2 n ASP 54 Ca 0.08 -0.20 -0.32 0.00 0.71 0.00 0.00 54.79 55.06 1xi2 n ASP 54 Cb 0.28 -0.26 -0.16 0.00 -0.02 0.00 0.00 41.12 40.95 1xi2 n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xi2 s ILE 55 N -2.53 2.22 0.12 0.53 1.09 -1.14 -1.43 121.20 120.07 1xi2 s ILE 55 Ca 0.29 -0.99 0.02 0.00 -1.10 0.00 0.00 60.65 58.87 1xi2 s ILE 55 Cb 0.20 -1.83 -0.04 0.00 -1.06 0.00 0.00 42.46 39.73 1xi2 s ILE 55 CO 0.45 0.56 0.26 -0.89 -0.10 0.00 0.00 174.94 175.22 1xi2 s THR 56 N 0.02 5.34 0.00 2.92 2.01 0.13 -4.89 115.64 121.16 1xi2 s THR 56 Ca -0.08 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.33 1xi2 s THR 56 Cb -0.15 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.66 1xi2 s THR 56 CO 0.05 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 1xi2 n GLY 57 N -0.25 0.81 3.30 4.40 0.00 -1.26 -4.84 105.19 107.34 1xi2 n GLY 57 Ca -0.06 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1xi2 n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xi2 s THR 58 N 0.00 2.03 0.58 2.61 -4.23 -1.26 -5.13 115.64 110.25 1xi2 s THR 58 Ca 0.00 -1.09 -0.18 0.00 -1.18 0.00 0.00 61.69 59.24 1xi2 s THR 58 Cb 0.00 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.10 1xi2 s THR 58 CO 0.00 0.57 1.10 -0.76 -0.54 0.00 0.00 174.62 174.99 1xi2 s LEU 59 N -0.51 3.61 0.00 4.79 1.43 -1.26 -4.91 118.68 121.83 1xi2 s LEU 59 Ca 0.07 2.02 0.16 0.00 -1.03 0.00 0.00 54.13 55.35 1xi2 s LEU 59 Cb -0.11 -4.56 0.78 0.00 0.03 0.00 0.00 46.19 42.34 1xi2 s LEU 59 CO -0.00 -1.27 1.48 -1.54 0.23 0.00 0.00 176.35 175.25 1xi2 n SER 60 N -1.72 0.00 -2.76 2.29 3.41 -1.26 -4.13 113.62 109.45 1xi2 n SER 60 Ca 0.10 0.17 -0.03 0.00 -0.26 0.00 0.00 58.87 58.85 1xi2 n SER 60 Cb 0.52 -0.34 0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1xi2 n SER 60 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xi2 s ASN 61 N -2.68 -0.84 0.00 4.04 3.84 -1.26 -5.02 114.94 113.03 1xi2 s ASN 61 Ca 0.13 -0.90 0.05 0.00 0.21 0.00 0.00 52.86 52.35 1xi2 s ASN 61 Cb 0.11 1.09 0.29 0.00 -0.55 0.00 0.00 41.25 42.18 1xi2 s ASN 61 CO 0.26 -0.04 0.74 -0.81 -2.79 0.00 0.00 177.10 174.46 1xi2 n PRO 62 N 2.97 0.47 -0.08 0.43 -0.04 -1.26 -3.21 135.00 134.27 1xi2 n PRO 62 Ca 0.13 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.48 1xi2 n PRO 62 Cb 0.61 -1.16 -0.06 0.00 -0.04 0.00 0.00 33.50 32.85 1xi2 n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xi2 h GLU 63 N 0.00 0.00 -4.90 0.54 4.39 -1.95 -3.46 114.58 109.20 1xi2 h GLU 63 Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 1xi2 h GLU 63 Cb 0.00 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 28.30 1xi2 h GLU 63 CO 0.00 0.41 -0.85 0.08 -1.16 0.00 0.00 179.01 177.50 1xi2 s VAL 64 N -2.27 1.88 -0.34 3.13 1.01 -1.20 -5.11 120.40 117.51 1xi2 s VAL 64 Ca -0.20 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.70 1xi2 s VAL 64 Cb 0.03 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1xi2 s VAL 64 CO 0.37 0.48 0.75 0.12 0.00 0.00 0.00 175.10 176.81 1xi2 s PHE 65 N 1.36 3.16 -0.36 5.22 5.36 -1.26 -4.80 117.98 126.65 1xi2 s PHE 65 Ca 0.04 0.61 -0.00 0.00 -0.96 0.00 0.00 56.93 56.62 1xi2 s PHE 65 Cb -0.13 -3.26 0.09 0.00 -0.34 0.00 0.00 43.02 39.38 1xi2 s PHE 65 CO -0.12 -0.64 0.10 1.21 -1.46 0.00 0.00 175.22 174.32 1xi2 s ASN 66 N 1.74 5.00 0.21 6.13 3.84 -1.26 -5.00 114.94 125.60 1xi2 s ASN 66 Ca 0.30 -1.89 -0.09 0.00 0.21 0.00 0.00 52.86 51.38 1xi2 s ASN 66 Cb -0.14 -1.73 0.32 0.00 -0.55 0.00 0.00 41.25 39.15 1xi2 s ASN 66 CO 0.15 -0.42 1.70 0.22 -2.79 0.00 0.00 177.10 175.96 1xi2 h TYR 67 N 7.89 0.21 -0.09 0.43 3.20 -1.97 -0.19 116.97 126.45 1xi2 h TYR 67 Ca -0.12 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1xi2 h TYR 67 Cb 1.04 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 1xi2 h TYR 67 CO 0.54 -0.04 0.06 0.78 -1.64 0.00 0.00 178.16 177.86 1xi2 h GLY 68 N 0.26 0.13 0.83 1.82 0.00 -1.99 -0.69 103.07 103.43 1xi2 h GLY 68 Ca 0.33 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 1xi2 h GLY 68 CO -0.42 0.04 0.02 -2.08 0.00 0.00 0.00 176.54 174.10 1xi2 h VAL 69 N 0.12 1.24 -0.62 4.60 2.07 -1.91 -2.17 116.25 119.57 1xi2 h VAL 69 Ca 0.04 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.80 1xi2 h VAL 69 Cb -0.01 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1xi2 h VAL 69 CO -0.02 0.24 0.38 -0.33 0.02 0.00 0.00 177.57 177.86 1xi2 h GLU 70 N 0.11 0.73 -0.09 1.57 4.39 -0.95 -1.06 114.58 119.27 1xi2 h GLU 70 Ca 0.06 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.56 1xi2 h GLU 70 Cb 0.34 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1xi2 h GLU 70 CO 0.01 0.48 -0.62 1.79 -1.16 0.00 0.00 179.01 179.50 1xi2 h THR 71 N 0.75 1.37 -0.23 1.13 1.35 -1.12 0.64 112.91 116.80 1xi2 h THR 71 Ca 0.25 -1.98 -0.02 0.00 -0.55 0.00 0.00 66.41 64.11 1xi2 h THR 71 Cb 0.02 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 1xi2 h THR 71 CO -0.10 0.59 0.09 -0.74 -0.25 0.00 0.00 175.52 175.11 1xi2 h HIS 72 N 0.25 0.36 -0.52 4.73 -0.00 -1.08 0.50 115.15 119.39 1xi2 h HIS 72 Ca -0.01 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.30 1xi2 h HIS 72 Cb 1.15 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 28.43 1xi2 h HIS 72 CO 0.03 0.40 0.19 1.49 -0.00 0.00 0.00 177.93 180.04 1xi2 h GLU 73 N 0.22 0.79 -0.79 5.26 4.57 -1.12 -2.43 114.58 121.08 1xi2 h GLU 73 Ca 0.08 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1xi2 h GLU 73 Cb 0.20 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 1xi2 h GLU 73 CO -0.01 0.71 0.43 0.00 -1.18 0.00 0.00 179.01 178.96 1xi2 h ALA 74 N 1.04 1.26 -0.25 2.92 0.00 -0.61 -0.89 119.26 122.73 1xi2 h ALA 74 Ca 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xi2 h ALA 74 Cb 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xi2 h ALA 74 CO -0.01 0.60 0.10 -0.92 0.00 0.00 0.00 179.25 179.02 1xi2 h TYR 75 N 1.11 0.37 0.00 0.00 3.20 -0.63 0.41 116.97 121.43 1xi2 h TYR 75 Ca 0.28 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 1xi2 h TYR 75 Cb 0.04 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 1xi2 h TYR 75 CO 0.01 0.39 -0.13 0.87 -1.64 0.00 0.00 178.16 177.66 1xi2 h LYS 76 N 0.25 0.00 -0.54 1.82 1.57 -1.06 -2.69 116.57 115.92 1xi2 h LYS 76 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1xi2 h LYS 76 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1xi2 h LYS 76 CO -0.01 0.13 0.00 1.04 -0.57 0.00 0.00 179.45 180.04 1xi2 n GLN 77 N -3.44 2.84 -3.74 3.15 1.13 -0.37 -4.98 117.38 111.97 1xi2 n GLN 77 Ca -0.01 -2.38 -0.24 0.00 -1.94 0.00 0.00 57.00 52.43 1xi2 n GLN 77 Cb 0.30 -1.44 0.03 0.00 0.11 0.00 0.00 30.24 29.24 1xi2 n GLN 77 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1xi2 n ARG 78 N 1.06 -5.25 -0.65 -1.09 1.74 0.12 -4.91 116.66 107.67 1xi2 n ARG 78 Ca 0.18 0.63 0.06 0.00 -0.77 0.00 0.00 57.85 57.95 1xi2 n ARG 78 Cb 0.54 -5.31 0.17 0.00 -1.02 0.00 0.00 32.46 26.85 1xi2 n ARG 78 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1xi2 n SER 79 N -3.00 1.66 -4.88 0.55 7.64 0.12 -5.02 113.62 110.68 1xi2 n SER 79 Ca -0.20 -3.54 -0.30 0.00 1.01 0.00 0.00 58.87 55.84 1xi2 n SER 79 Cb 0.63 -0.48 -0.04 0.00 -1.01 0.00 0.00 64.21 63.31 1xi2 n SER 79 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xi2 s LEU 80 N -2.72 4.00 0.60 -3.43 1.43 -1.25 0.20 118.68 117.49 1xi2 s LEU 80 Ca 0.36 0.95 -0.20 0.00 -1.03 0.00 0.00 54.13 54.21 1xi2 s LEU 80 Cb 0.36 -3.78 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 1xi2 s LEU 80 CO -0.07 -0.25 1.28 0.00 0.23 0.00 0.00 176.35 177.55 1xi2 n ALA 81 N -0.88 1.23 0.11 4.21 0.00 -0.51 -4.74 120.51 119.93 1xi2 n ALA 81 Ca 0.01 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.55 1xi2 n ALA 81 Cb 0.54 -2.31 0.47 0.00 0.00 0.00 0.00 19.45 18.14 1xi2 n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xi2 h SER 82 N 0.94 0.26 -0.21 0.00 4.64 -1.95 -2.26 113.55 114.96 1xi2 h SER 82 Ca -0.51 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 60.74 1xi2 h SER 82 Cb 1.33 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1xi2 h SER 82 CO 0.55 0.27 -0.02 -2.24 -0.87 0.00 0.00 176.83 174.51 1xi2 h ASP 83 N 0.29 0.47 -0.03 4.97 2.03 -2.00 0.69 116.42 122.84 1xi2 h ASP 83 Ca 0.07 -0.09 -0.02 0.00 -0.73 0.00 0.00 57.03 56.26 1xi2 h ASP 83 Cb 0.11 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 1xi2 h ASP 83 CO -0.00 0.55 -0.08 0.40 -1.03 0.00 0.00 179.24 179.08 1xi2 h ILE 84 N 0.48 1.47 -0.08 4.15 1.08 -1.79 -3.02 117.51 119.80 1xi2 h ILE 84 Ca 0.10 -1.50 -0.05 0.00 -0.39 0.00 0.00 64.86 63.02 1xi2 h ILE 84 Cb 0.34 2.40 -0.01 0.00 -3.07 0.00 0.00 36.82 36.48 1xi2 h ILE 84 CO 0.01 0.40 -0.17 0.71 -0.69 0.00 0.00 178.15 178.41 1xi2 h THR 85 N -0.47 1.17 -0.68 -0.27 1.35 -1.25 -0.92 112.91 111.85 1xi2 h THR 85 Ca -0.00 -0.78 -0.02 0.00 -0.55 0.00 0.00 66.41 65.05 1xi2 h THR 85 Cb 0.70 1.30 -0.03 0.00 -1.73 0.00 0.00 68.15 68.39 1xi2 h THR 85 CO 0.02 0.23 0.33 0.44 -0.25 0.00 0.00 175.52 176.30 1xi2 h ASP 86 N 0.13 0.88 -0.29 5.36 3.32 -0.88 -1.28 116.42 123.65 1xi2 h ASP 86 Ca 0.02 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 56.81 1xi2 h ASP 86 Cb 0.39 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1xi2 h ASP 86 CO 0.03 0.76 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.63 1xi2 h GLU 87 N 0.94 0.82 -0.48 3.56 4.39 -1.23 -2.91 114.58 119.67 1xi2 h GLU 87 Ca 0.23 -0.40 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 1xi2 h GLU 87 Cb 0.10 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1xi2 h GLU 87 CO -0.03 1.04 0.13 1.96 -1.16 0.00 0.00 179.01 180.95 1xi2 h GLN 88 N 0.68 0.72 -0.57 2.33 4.20 -0.82 -1.25 115.11 120.41 1xi2 h GLN 88 Ca 0.07 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1xi2 h GLN 88 Cb 0.90 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 1xi2 h GLN 88 CO 0.08 0.64 0.18 -0.22 -0.67 0.00 0.00 178.83 178.84 1xi2 h LYS 89 N 0.70 0.89 -0.58 1.46 3.64 -1.13 0.16 116.57 121.71 1xi2 h LYS 89 Ca 0.16 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1xi2 h LYS 89 Cb 0.24 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1xi2 h LYS 89 CO -0.01 0.80 0.30 0.87 -2.27 0.00 0.00 179.45 179.14 1xi2 h LYS 90 N 0.80 0.83 -0.35 1.90 1.57 -1.23 -2.03 116.57 118.07 1xi2 h LYS 90 Ca 0.18 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1xi2 h LYS 90 Cb 0.28 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1xi2 h LYS 90 CO -0.01 0.66 -0.17 0.28 -0.57 0.00 0.00 179.45 179.65 1xi2 h VAL 91 N 0.79 1.29 -0.99 0.50 2.07 -0.96 -2.28 116.25 116.67 1xi2 h VAL 91 Ca 0.20 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.47 1xi2 h VAL 91 Cb 0.09 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1xi2 h VAL 91 CO -0.03 0.42 0.65 -0.09 0.02 0.00 0.00 177.57 178.54 1xi2 h ARG 92 N 0.51 1.22 0.00 1.57 2.43 -0.50 -2.36 114.38 117.25 1xi2 h ARG 92 Ca 0.08 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xi2 h ARG 92 Cb 0.71 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1xi2 h ARG 92 CO 0.05 0.81 -0.25 0.39 -1.51 0.00 0.00 179.97 179.46 1xi2 n GLU 93 N -4.45 0.24 -2.69 0.20 1.02 -0.78 -4.89 120.64 109.29 1xi2 n GLU 93 Ca 0.13 0.14 -0.38 0.00 -0.02 0.00 0.00 57.16 57.04 1xi2 n GLU 93 Cb 0.09 -1.73 -0.06 0.00 -0.02 0.00 0.00 31.44 29.73 1xi2 n GLU 93 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xi2 s ALA 94 N -3.11 3.22 -0.13 0.62 0.00 -0.86 -4.69 121.76 116.81 1xi2 s ALA 94 Ca 0.09 0.62 0.18 0.00 0.00 0.00 0.00 51.96 52.85 1xi2 s ALA 94 Cb 0.13 -3.22 -0.22 0.00 0.00 0.00 0.00 23.12 19.81 1xi2 s ALA 94 CO 0.64 0.06 0.49 -0.25 0.00 0.00 0.00 175.76 176.70 1xi2 n ASP 95 N 0.63 0.39 -3.79 0.00 8.00 0.97 -4.89 116.55 117.87 1xi2 n ASP 95 Ca 0.02 0.17 -0.13 0.00 0.71 0.00 0.00 54.79 55.56 1xi2 n ASP 95 Cb 0.49 0.81 -0.14 0.00 -0.02 0.00 0.00 41.12 42.26 1xi2 n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xi2 s LEU 96 N -5.44 1.13 -0.20 0.64 2.96 -0.93 -1.08 118.68 115.76 1xi2 s LEU 96 Ca -0.06 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 1xi2 s LEU 96 Cb 0.09 0.26 0.03 0.00 0.50 0.00 0.00 46.19 47.07 1xi2 s LEU 96 CO 0.84 -0.10 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.92 1xi2 s VAL 97 N 0.74 2.26 -0.17 1.68 1.01 0.07 -0.97 120.40 125.02 1xi2 s VAL 97 Ca -0.06 -1.05 -0.07 0.00 0.00 0.00 0.00 61.98 60.80 1xi2 s VAL 97 Cb -0.08 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1xi2 s VAL 97 CO -0.03 0.39 0.06 -0.63 0.00 0.00 0.00 175.10 174.89 1xi2 s ILE 98 N 1.27 4.78 -0.23 2.22 1.09 0.16 -1.31 121.20 129.19 1xi2 s ILE 98 Ca 0.02 -0.04 -0.07 0.00 -1.10 0.00 0.00 60.65 59.46 1xi2 s ILE 98 Cb -0.15 -3.14 -0.03 0.00 -1.06 0.00 0.00 42.46 38.08 1xi2 s ILE 98 CO -0.10 0.48 0.06 -0.36 -0.10 0.00 0.00 174.94 174.91 1xi2 s PHE 99 N 0.24 3.10 -0.25 3.97 0.08 -0.16 -0.49 117.98 124.46 1xi2 s PHE 99 Ca 0.04 -0.37 -0.02 0.00 0.12 0.00 0.00 56.93 56.70 1xi2 s PHE 99 Cb -0.12 -2.19 0.02 0.00 -0.57 0.00 0.00 43.02 40.16 1xi2 s PHE 99 CO 0.00 -0.27 -0.04 -1.14 -0.10 0.00 0.00 175.22 173.67 1xi2 s GLN 100 N 1.35 2.87 0.02 0.44 2.00 -0.15 -0.22 119.66 125.96 1xi2 s GLN 100 Ca 0.05 -0.96 -0.28 0.00 -2.00 0.00 0.00 55.36 52.17 1xi2 s GLN 100 Cb -0.15 -3.03 0.08 0.00 0.80 0.00 0.00 33.01 30.71 1xi2 s GLN 100 CO 0.03 -0.40 0.73 -0.59 -0.50 0.00 0.00 175.29 174.55 1xi2 s PHE 101 N 1.35 -0.53 0.19 1.67 -0.12 -0.79 -1.12 117.98 118.62 1xi2 s PHE 101 Ca 0.00 0.64 -0.23 0.00 -0.05 0.00 0.00 56.93 57.29 1xi2 s PHE 101 Cb -0.17 0.49 -0.08 0.00 -0.63 0.00 0.00 43.02 42.63 1xi2 s PHE 101 CO -0.04 -0.65 0.75 -1.25 -0.05 0.00 0.00 175.22 173.99 1xi2 s PRO 102 N -2.39 4.44 0.09 1.99 0.04 -1.26 -2.13 135.00 135.78 1xi2 s PRO 102 Ca -0.03 1.04 -0.31 0.00 0.04 0.00 0.00 61.00 61.74 1xi2 s PRO 102 Cb -0.01 -3.11 -0.08 0.00 0.04 0.00 0.00 34.50 31.35 1xi2 s PRO 102 CO -0.02 0.50 1.47 -1.17 0.04 0.00 0.00 177.00 177.82 1xi2 s LEU 103 N -1.47 4.36 -0.23 -3.56 2.96 0.83 -4.35 118.68 117.22 1xi2 s LEU 103 Ca 0.38 2.37 0.02 0.00 -0.22 0.00 0.00 54.13 56.68 1xi2 s LEU 103 Cb -0.20 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 42.96 1xi2 s LEU 103 CO 0.24 -0.74 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.12 1xi2 s TYR 104 N 1.64 2.77 -1.27 5.38 1.51 -0.07 -4.79 117.35 122.51 1xi2 s TYR 104 Ca 0.67 -1.93 -0.05 0.00 -1.01 0.00 0.00 57.07 54.75 1xi2 s TYR 104 Cb -0.38 -1.75 -0.01 0.00 -0.11 0.00 0.00 41.96 39.71 1xi2 s TYR 104 CO 0.30 -0.81 0.67 0.91 -1.11 0.00 0.00 175.55 175.51 1xi2 n TRP 105 N 4.58 -1.88 -1.98 2.71 5.03 -1.26 -1.56 117.44 123.08 1xi2 n TRP 105 Ca -0.14 0.73 -0.19 0.00 3.03 0.00 0.00 57.50 60.93 1xi2 n TRP 105 Cb 0.44 -4.00 -0.04 0.00 -1.03 0.00 0.00 31.31 26.68 1xi2 n TRP 105 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 1xi2 n PHE 106 N -4.22 -0.61 -2.53 -5.99 3.01 -1.26 -4.88 117.46 100.98 1xi2 n PHE 106 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.22 1xi2 n PHE 106 Cb 0.66 -3.47 0.00 0.00 -0.01 0.00 0.00 39.48 36.66 1xi2 n PHE 106 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1xi2 n SER 107 N -1.56 0.00 -4.90 4.37 2.88 -0.60 -4.85 113.62 108.96 1xi2 n SER 107 Ca -0.21 -0.29 -0.29 0.00 -1.33 0.00 0.00 58.87 56.75 1xi2 n SER 107 Cb 0.65 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.07 1xi2 n SER 107 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1xi2 s VAL 108 N -2.58 4.99 0.64 2.46 -7.23 -1.26 -0.89 120.40 116.52 1xi2 s VAL 108 Ca 0.00 0.19 -0.18 0.00 -1.81 0.00 0.00 61.98 60.17 1xi2 s VAL 108 Cb 0.00 -3.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.21 1xi2 s VAL 108 CO 0.00 -0.29 1.22 -2.65 -0.31 0.00 0.00 175.10 173.07 1xi2 n PRO 109 N -0.80 1.08 -0.27 4.82 -0.02 -1.26 -4.61 135.00 133.94 1xi2 n PRO 109 Ca -0.01 0.42 0.19 0.00 -2.02 0.00 0.00 63.50 62.08 1xi2 n PRO 109 Cb 0.54 -2.45 0.49 0.00 -0.02 0.00 0.00 33.50 32.06 1xi2 n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xi2 h ALA 110 N 0.54 2.16 -0.39 3.55 0.00 -1.96 -0.00 119.26 123.16 1xi2 h ALA 110 Ca -0.50 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1xi2 h ALA 110 Cb 1.35 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1xi2 h ALA 110 CO 0.53 -0.47 0.02 0.97 0.00 0.00 0.00 179.25 180.29 1xi2 h ILE 111 N 0.44 1.21 0.05 0.00 2.10 -1.94 0.39 117.51 119.76 1xi2 h ILE 111 Ca 0.50 -0.83 -0.23 0.00 1.08 0.00 0.00 64.86 65.37 1xi2 h ILE 111 Cb 1.19 0.90 -0.00 0.00 -1.09 0.00 0.00 36.82 37.81 1xi2 h ILE 111 CO -0.21 0.29 -1.04 0.25 -1.08 0.00 0.00 178.15 176.37 1xi2 h LEU 112 N 0.59 0.36 -1.05 2.19 5.85 -1.40 -2.60 115.31 119.25 1xi2 h LEU 112 Ca 0.12 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1xi2 h LEU 112 Cb 0.35 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1xi2 h LEU 112 CO 0.01 1.18 0.38 0.50 -0.34 0.00 0.00 178.44 180.17 1xi2 h LYS 113 N 0.11 1.05 -0.57 1.25 1.63 -0.61 -1.57 116.57 117.87 1xi2 h LYS 113 Ca -0.08 -0.13 -0.05 0.00 -0.85 0.00 0.00 60.65 59.54 1xi2 h LYS 113 Cb 1.72 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 33.12 1xi2 h LYS 113 CO 0.17 0.79 0.15 0.78 -3.45 0.00 0.00 179.45 177.89 1xi2 h GLY 114 N 1.09 0.93 0.96 5.01 0.00 -0.81 0.11 103.07 110.36 1xi2 h GLY 114 Ca 0.26 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1xi2 h GLY 114 CO -0.04 0.50 0.21 -0.25 0.00 0.00 0.00 176.54 176.96 1xi2 h TRP 115 N 0.84 0.53 -0.08 5.60 7.01 -0.97 -0.59 115.95 128.28 1xi2 h TRP 115 Ca 0.19 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 1xi2 h TRP 115 Cb 0.28 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.17 1xi2 h TRP 115 CO 0.02 0.41 0.03 0.52 -2.79 0.00 0.00 178.44 176.63 1xi2 h MET 116 N 0.49 0.13 -0.64 2.65 2.86 -0.67 0.12 114.93 119.86 1xi2 h MET 116 Ca 0.13 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.80 1xi2 h MET 116 Cb 0.06 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 1xi2 h MET 116 CO -0.02 0.27 0.36 -0.44 1.06 0.00 0.00 176.91 178.14 1xi2 h ASP 117 N -0.04 0.53 0.40 1.22 3.32 -0.66 -2.64 116.42 118.54 1xi2 h ASP 117 Ca 0.03 0.03 -0.31 0.00 0.02 0.00 0.00 57.03 56.79 1xi2 h ASP 117 Cb 0.20 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1xi2 h ASP 117 CO -0.00 0.35 -1.75 0.03 -1.72 0.00 0.00 179.24 176.15 1xi2 h ARG 118 N 0.67 0.10 0.21 3.56 3.08 -1.05 -3.40 114.38 117.54 1xi2 h ARG 118 Ca 0.28 -0.17 -0.33 0.00 0.07 0.00 0.00 59.98 59.84 1xi2 h ARG 118 Cb 0.16 0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.30 1xi2 h ARG 118 CO -0.17 0.77 -1.50 0.28 -1.07 0.00 0.00 179.97 178.28 1xi2 h VAL 119 N 0.03 1.24 -0.89 2.04 2.07 -0.83 -3.38 116.25 116.54 1xi2 h VAL 119 Ca -0.31 -2.74 -0.73 0.00 0.82 0.00 0.00 66.70 63.74 1xi2 h VAL 119 Cb 2.01 2.95 -0.09 0.00 -1.52 0.00 0.00 31.29 34.64 1xi2 h VAL 119 CO 0.09 0.84 2.72 0.18 0.02 0.00 0.00 177.57 181.41 1xi2 n LEU 120 N -3.63 8.03 -4.90 2.57 4.77 -1.00 -4.82 117.00 118.03 1xi2 n LEU 120 Ca -0.17 -4.73 -0.29 0.00 -0.03 0.00 0.00 56.01 50.80 1xi2 n LEU 120 Cb 1.08 -1.43 0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1xi2 n LEU 120 CO 0.57 1.96 0.64 0.00 -1.33 0.00 0.00 177.39 179.23 1xi2 s GLN 122 N -5.15 4.28 0.00 0.00 0.74 -1.26 -1.57 119.66 116.71 1xi2 s GLN 122 Ca 0.55 2.31 0.00 0.00 0.05 0.00 0.00 55.36 58.27 1xi2 s GLN 122 Cb -0.11 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 30.94 1xi2 s GLN 122 CO 0.49 -0.32 0.00 0.41 -0.55 0.00 0.00 175.29 175.32 1xi2 n GLY 123 N 1.13 2.94 0.11 2.59 0.00 0.14 -4.35 105.19 107.74 1xi2 n GLY 123 Ca 0.02 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 1xi2 n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xi2 n PHE 124 N 0.00 0.28 -0.04 1.61 7.35 -0.84 -4.76 117.46 121.05 1xi2 n PHE 124 Ca 0.00 0.12 0.03 0.00 -0.76 0.00 0.00 57.45 56.84 1xi2 n PHE 124 Cb 0.00 -0.81 -0.16 0.00 0.35 0.00 0.00 39.48 38.86 1xi2 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xi2 n ALA 125 N -4.12 2.28 -3.47 3.13 0.00 -0.61 -4.62 120.51 113.11 1xi2 n ALA 125 Ca -0.31 -0.83 -0.10 0.00 0.00 0.00 0.00 53.44 52.20 1xi2 n ALA 125 Cb 0.65 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 1xi2 n ALA 125 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1xi2 s PHE 126 N -3.08 -0.33 0.22 0.00 -0.71 -1.25 -2.59 117.98 110.24 1xi2 s PHE 126 Ca -0.09 0.02 -0.17 0.00 -1.04 0.00 0.00 56.93 55.65 1xi2 s PHE 126 Cb 0.11 0.54 0.02 0.00 -1.21 0.00 0.00 43.02 42.47 1xi2 s PHE 126 CO 0.86 -0.95 0.55 0.34 -1.34 0.00 0.00 175.22 174.67 1xi2 s ASP 127 N -2.83 -0.23 0.32 1.98 -1.08 -0.44 0.23 116.67 114.62 1xi2 s ASP 127 Ca 0.06 -0.57 0.10 0.00 -0.52 0.00 0.00 52.55 51.61 1xi2 s ASP 127 Cb -0.02 0.60 0.92 0.00 -1.46 0.00 0.00 42.92 42.96 1xi2 s ASP 127 CO -0.05 -1.11 1.69 -0.29 0.52 0.00 0.00 175.17 175.92 1xi2 h ILE 128 N 2.18 0.41 0.01 4.11 2.10 -2.02 -2.16 117.51 122.13 1xi2 h ILE 128 Ca -0.27 -0.14 -0.08 0.00 1.08 0.00 0.00 64.86 65.46 1xi2 h ILE 128 Cb 1.26 -0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 36.94 1xi2 h ILE 128 CO 0.35 0.07 -0.40 -0.65 -1.08 0.00 0.00 178.15 176.44 1xi2 h PRO 129 N 0.41 0.02 -5.35 2.19 0.11 -1.97 -3.43 132.00 123.98 1xi2 h PRO 129 Ca 0.66 -0.04 -0.65 0.00 0.11 0.00 0.00 66.00 66.07 1xi2 h PRO 129 Cb 1.36 0.02 -0.15 0.00 0.11 0.00 0.00 31.00 32.34 1xi2 h PRO 129 CO -0.56 1.02 0.78 0.20 -0.21 0.00 0.00 178.00 179.23 1xi2 s GLY 130 N -4.41 1.59 0.05 -0.55 0.00 -0.81 -4.85 107.32 98.34 1xi2 s GLY 130 Ca -0.21 -2.27 -0.14 0.00 0.00 0.00 0.00 44.72 42.10 1xi2 s GLY 130 CO 0.68 2.12 0.30 -0.11 0.00 0.00 0.00 173.10 176.09 1xi2 s PHE 131 N 3.60 -0.10 0.00 1.90 -0.12 -1.22 -1.33 117.98 120.72 1xi2 s PHE 131 Ca 0.29 -0.07 0.00 0.00 -0.05 0.00 0.00 56.93 57.10 1xi2 s PHE 131 Cb -0.10 0.10 0.00 0.00 -0.63 0.00 0.00 43.02 42.39 1xi2 s PHE 131 CO -0.00 -0.52 0.00 0.66 -0.05 0.00 0.00 175.22 175.31 1xi2 n TYR 132 N 0.48 0.00 -0.19 3.49 4.01 0.15 -1.75 117.16 123.35 1xi2 n TYR 132 Ca -0.18 0.00 0.26 0.00 -0.16 0.00 0.00 57.90 57.82 1xi2 n TYR 132 Cb 0.60 0.00 0.67 0.00 -0.31 0.00 0.00 39.34 40.29 1xi2 n TYR 132 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1xi2 h ASP 133 N 0.00 0.11 -0.51 7.72 5.19 -1.89 0.37 116.42 127.42 1xi2 h ASP 133 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1xi2 h ASP 133 Cb 0.00 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1xi2 h ASP 133 CO 0.00 0.04 0.00 -1.20 -3.12 0.00 0.00 179.24 174.96 1xi2 n SER 134 N -4.34 3.00 -4.43 6.45 7.64 -0.72 -4.90 113.62 116.31 1xi2 n SER 134 Ca 0.19 -1.97 -0.41 0.00 1.01 0.00 0.00 58.87 57.68 1xi2 n SER 134 Cb 0.88 -0.34 0.01 0.00 -1.01 0.00 0.00 64.21 63.75 1xi2 n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xi2 n GLY 135 N 1.40 -1.67 0.25 0.23 0.00 0.13 -3.41 105.19 102.13 1xi2 n GLY 135 Ca 0.19 0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.40 1xi2 n GLY 135 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xi2 h LEU 136 N 0.69 0.00 -3.67 0.99 3.38 -1.36 -2.00 115.31 113.34 1xi2 h LEU 136 Ca -0.40 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.43 1xi2 h LEU 136 Cb 1.41 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.08 1xi2 h LEU 136 CO 0.50 0.00 0.17 0.18 0.09 0.00 0.00 178.44 179.38 1xi2 n LEU 137 N -2.78 6.00 -4.74 1.67 4.77 0.36 -4.96 117.00 117.32 1xi2 n LEU 137 Ca -0.00 -3.09 -0.38 0.00 -0.03 0.00 0.00 56.01 52.50 1xi2 n LEU 137 Cb 0.18 -0.73 0.05 0.00 -2.33 0.00 0.00 43.42 40.59 1xi2 n LEU 137 CO 0.21 0.73 0.96 0.00 -1.33 0.00 0.00 177.39 177.96 1xi2 s GLN 138 N -2.90 2.97 0.00 3.23 -2.07 -0.75 -2.39 119.66 117.75 1xi2 s GLN 138 Ca 0.55 2.18 0.00 0.00 -1.82 0.00 0.00 55.36 56.27 1xi2 s GLN 138 Cb 0.43 -2.13 0.00 0.00 -1.09 0.00 0.00 33.01 30.22 1xi2 s GLN 138 CO 0.15 -1.31 0.00 0.41 -1.32 0.00 0.00 175.29 173.22 1xi2 n GLY 139 N 0.77 1.75 3.93 2.60 0.00 -1.26 -5.00 105.19 107.97 1xi2 n GLY 139 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1xi2 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xi2 s LYS 140 N -0.88 3.47 0.02 1.61 1.02 -1.01 -4.99 119.74 118.98 1xi2 s LYS 140 Ca 0.00 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.58 1xi2 s LYS 140 Cb 0.00 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 1xi2 s LYS 140 CO 0.00 0.53 0.02 -0.51 -0.92 0.00 0.00 175.35 174.47 1xi2 s LEU 141 N -2.86 3.59 0.04 3.17 1.43 -0.24 -0.99 118.68 122.82 1xi2 s LEU 141 Ca 0.36 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1xi2 s LEU 141 Cb -0.12 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 1xi2 s LEU 141 CO 0.28 0.26 -0.10 0.00 0.23 0.00 0.00 176.35 177.01 1xi2 s ALA 142 N -1.16 0.83 -0.12 4.21 0.00 -0.35 -0.75 121.76 124.43 1xi2 s ALA 142 Ca 0.22 -0.73 -0.06 0.00 0.00 0.00 0.00 51.96 51.39 1xi2 s ALA 142 Cb -0.12 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 22.98 1xi2 s ALA 142 CO 0.13 0.11 0.28 -1.17 0.00 0.00 0.00 175.76 175.11 1xi2 s LEU 143 N -1.21 0.15 -0.27 0.00 0.20 -0.43 -1.10 118.68 116.03 1xi2 s LEU 143 Ca -0.03 0.62 -0.14 0.00 0.69 0.00 0.00 54.13 55.26 1xi2 s LEU 143 Cb -0.08 0.85 -0.04 0.00 -0.43 0.00 0.00 46.19 46.49 1xi2 s LEU 143 CO 0.01 -0.19 0.35 -0.76 -0.29 0.00 0.00 176.35 175.47 1xi2 s LEU 144 N 1.57 4.04 -0.40 -0.68 1.43 -1.26 -0.99 118.68 122.38 1xi2 s LEU 144 Ca -0.07 0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.25 1xi2 s LEU 144 Cb -0.10 -2.39 0.10 0.00 0.03 0.00 0.00 46.19 43.83 1xi2 s LEU 144 CO -0.09 -0.16 0.20 -0.55 0.23 0.00 0.00 176.35 175.97 1xi2 s SER 145 N 1.63 5.30 0.07 2.29 0.15 0.69 -0.81 113.70 123.03 1xi2 s SER 145 Ca 0.14 -1.88 0.08 0.00 0.70 0.00 0.00 55.95 54.99 1xi2 s SER 145 Cb -0.16 -1.85 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 1xi2 s SER 145 CO 0.10 -0.53 -0.18 0.54 1.20 0.00 0.00 173.24 174.37 1xi2 s VAL 146 N 1.21 2.82 0.09 4.45 0.11 0.05 -1.89 120.40 127.23 1xi2 s VAL 146 Ca 0.06 -1.32 0.08 0.00 -2.93 0.00 0.00 61.98 57.87 1xi2 s VAL 146 Cb -0.23 -2.24 -0.04 0.00 -1.53 0.00 0.00 36.38 32.35 1xi2 s VAL 146 CO -0.03 0.23 -0.18 0.42 -3.33 0.00 0.00 175.10 172.21 1xi2 s THR 147 N -1.02 2.82 0.25 5.04 -4.23 -0.91 -1.05 115.64 116.53 1xi2 s THR 147 Ca 0.16 -1.38 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 1xi2 s THR 147 Cb -0.11 -2.25 -0.05 0.00 1.34 0.00 0.00 72.50 71.43 1xi2 s THR 147 CO 0.07 0.19 -0.04 0.42 -0.54 0.00 0.00 174.62 174.72 1xi2 s THR 148 N -1.06 1.38 -0.13 3.99 -4.23 -1.01 -0.12 115.64 114.46 1xi2 s THR 148 Ca 0.17 -2.09 -0.08 0.00 -1.18 0.00 0.00 61.69 58.51 1xi2 s THR 148 Cb -0.11 -2.35 -0.25 0.00 1.34 0.00 0.00 72.50 71.13 1xi2 s THR 148 CO 0.08 -0.35 0.34 0.61 -0.54 0.00 0.00 174.62 174.76 1xi2 n GLY 149 N -0.49 -0.58 3.82 3.99 0.00 -1.26 -1.96 105.19 108.71 1xi2 n GLY 149 Ca -0.06 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1xi2 n GLY 149 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xi2 s GLY 150 N -5.53 2.14 0.71 -0.02 0.00 -1.26 -4.36 107.32 99.00 1xi2 s GLY 150 Ca -0.23 0.33 -0.11 0.00 0.00 0.00 0.00 44.72 44.71 1xi2 s GLY 150 CO 0.75 0.64 1.09 -0.51 0.00 0.00 0.00 173.10 175.07 1xi2 s THR 151 N -2.47 3.57 0.30 0.90 -4.23 -1.26 -3.31 115.64 109.13 1xi2 s THR 151 Ca 0.62 0.51 -0.02 0.00 -1.18 0.00 0.00 61.69 61.62 1xi2 s THR 151 Cb -0.14 -3.48 0.27 0.00 1.34 0.00 0.00 72.50 70.49 1xi2 s THR 151 CO 0.33 -0.67 1.96 0.00 -0.54 0.00 0.00 174.62 175.70 1xi2 h ALA 152 N -0.67 1.42 -0.69 3.99 0.00 -1.94 -1.78 119.26 119.60 1xi2 h ALA 152 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xi2 h ALA 152 Cb 1.25 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1xi2 h ALA 152 CO 0.63 0.52 0.45 1.49 0.00 0.00 0.00 179.25 182.34 1xi2 h GLU 153 N 1.11 0.92 -0.04 0.00 4.57 -2.00 -1.09 114.58 118.06 1xi2 h GLU 153 Ca 0.32 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.34 1xi2 h GLU 153 Cb -0.07 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.30 1xi2 h GLU 153 CO -0.08 0.61 -0.46 0.52 -1.18 0.00 0.00 179.01 178.42 1xi2 h MET 154 N 0.94 0.08 -2.06 1.92 2.86 -1.71 -3.22 114.93 113.75 1xi2 h MET 154 Ca 0.25 -0.04 -0.56 0.00 -2.06 0.00 0.00 59.70 57.29 1xi2 h MET 154 Cb -0.10 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 31.38 1xi2 h MET 154 CO -0.05 0.53 0.67 0.66 1.06 0.00 0.00 176.91 179.77 1xi2 n TYR 155 N -3.99 1.88 -4.47 -0.22 4.01 -0.41 -1.56 117.16 112.40 1xi2 n TYR 155 Ca -0.02 -2.08 -0.25 0.00 -0.16 0.00 0.00 57.90 55.40 1xi2 n TYR 155 Cb 0.49 -1.39 -0.10 0.00 -0.31 0.00 0.00 39.34 38.03 1xi2 n TYR 155 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1xi2 s THR 156 N -2.54 2.48 0.27 -0.72 -4.23 -1.08 -3.04 115.64 106.78 1xi2 s THR 156 Ca 0.57 -2.25 -0.02 0.00 -1.18 0.00 0.00 61.69 58.81 1xi2 s THR 156 Cb 0.37 -2.52 0.29 0.00 1.34 0.00 0.00 72.50 71.98 1xi2 s THR 156 CO -0.24 -0.31 1.65 0.11 -0.54 0.00 0.00 174.62 175.30 1xi2 h LYS 157 N 2.10 0.19 -0.05 3.99 1.57 -1.91 0.18 116.57 122.64 1xi2 h LYS 157 Ca -0.41 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1xi2 h LYS 157 Cb 1.25 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1xi2 h LYS 157 CO 0.64 0.12 0.00 0.25 -0.57 0.00 0.00 179.45 179.90 1xi2 n THR 158 N -5.25 0.04 -1.44 -0.16 -2.24 -1.26 -4.52 114.28 99.44 1xi2 n THR 158 Ca 0.18 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 61.23 1xi2 n THR 158 Cb 0.58 1.13 0.13 0.00 -2.10 0.00 0.00 70.33 70.07 1xi2 n THR 158 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xi2 s GLY 159 N -1.96 1.59 0.46 3.38 0.00 0.61 -4.93 107.32 106.47 1xi2 s GLY 159 Ca 0.32 -0.36 0.14 0.00 0.00 0.00 0.00 44.72 44.82 1xi2 s GLY 159 CO 0.31 0.17 2.05 -0.39 0.00 0.00 0.00 173.10 175.24 1xi2 h VAL 160 N -1.45 1.08 -0.00 1.40 -1.51 -1.81 -2.62 116.25 111.33 1xi2 h VAL 160 Ca -0.50 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 1xi2 h VAL 160 Cb 1.31 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 1xi2 h VAL 160 CO 0.60 0.11 -0.59 0.59 -1.23 0.00 0.00 177.57 177.05 1xi2 n ASN 161 N -4.42 0.89 -0.08 4.19 3.02 -0.60 -5.07 115.26 113.20 1xi2 n ASN 161 Ca -0.02 -0.70 0.01 0.00 -0.03 0.00 0.00 54.58 53.84 1xi2 n ASN 161 Cb 0.17 0.46 -0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1xi2 n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xi2 n GLY 162 N 1.46 -1.84 3.77 7.41 0.00 -0.99 -4.85 105.19 110.15 1xi2 n GLY 162 Ca 0.07 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 1xi2 n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xi2 s ASP 163 N -4.53 6.14 0.49 1.61 2.15 -1.05 -2.62 116.67 118.86 1xi2 s ASP 163 Ca 0.00 2.66 0.16 0.00 0.43 0.00 0.00 52.55 55.80 1xi2 s ASP 163 Cb 0.00 -2.64 1.19 0.00 -0.30 0.00 0.00 42.92 41.17 1xi2 s ASP 163 CO 0.00 -0.97 2.07 0.77 -0.17 0.00 0.00 175.17 176.87 1xi2 h SER 164 N 2.45 0.14 0.10 -0.34 4.64 -1.87 0.50 113.55 119.17 1xi2 h SER 164 Ca -0.50 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1xi2 h SER 164 Cb 1.25 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1xi2 h SER 164 CO 0.62 0.10 -0.02 0.03 -0.87 0.00 0.00 176.83 176.68 1xi2 h ARG 165 N 0.16 0.00 -0.48 4.77 3.08 -1.90 -2.03 114.38 117.99 1xi2 h ARG 165 Ca 0.13 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1xi2 h ARG 165 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1xi2 h ARG 165 CO -0.02 0.02 0.18 1.88 -1.07 0.00 0.00 179.97 180.96 1xi2 h TYR 166 N 0.00 0.74 0.00 3.04 0.05 -1.07 -2.76 116.97 116.96 1xi2 h TYR 166 Ca -0.00 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1xi2 h TYR 166 Cb 0.07 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.60 1xi2 h TYR 166 CO 0.00 0.63 -0.12 0.27 -1.05 0.00 0.00 178.16 177.89 1xi2 h PHE 167 N 0.63 0.00 0.00 4.88 -5.15 -1.50 -3.22 116.94 112.58 1xi2 h PHE 167 Ca 0.16 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.86 1xi2 h PHE 167 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.37 1xi2 h PHE 167 CO 0.01 0.00 -0.31 -0.07 -2.00 0.00 0.00 178.31 175.94 1xi2 h LEU 168 N 0.00 0.00 -0.48 2.10 3.38 -1.19 -3.36 115.31 115.75 1xi2 h LEU 168 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1xi2 h LEU 168 Cb 0.77 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.42 1xi2 h LEU 168 CO 0.00 0.31 -0.41 -0.25 0.09 0.00 0.00 178.44 178.18 1xi2 h TRP 169 N 0.00 -1.18 -0.54 1.13 2.91 -1.53 0.41 115.95 117.16 1xi2 h TRP 169 Ca -0.00 0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.09 1xi2 h TRP 169 Cb 0.94 0.58 -0.03 0.00 -0.51 0.00 0.00 29.16 30.15 1xi2 h TRP 169 CO 0.00 -0.42 0.34 -1.35 -1.03 0.00 0.00 178.44 175.97 1xi2 h PRO 170 N -0.27 0.71 0.03 2.65 0.11 -1.83 -0.70 132.00 132.71 1xi2 h PRO 170 Ca 0.17 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1xi2 h PRO 170 Cb 0.57 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1xi2 h PRO 170 CO -0.62 0.49 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.58 1xi2 h LEU 171 N 0.73 -0.03 -0.11 2.35 3.38 -1.53 -1.66 115.31 118.44 1xi2 h LEU 171 Ca 0.19 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1xi2 h LEU 171 Cb -0.05 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1xi2 h LEU 171 CO -0.04 0.60 -0.14 1.56 0.09 0.00 0.00 178.44 180.52 1xi2 h GLN 172 N -1.00 0.29 0.00 1.13 4.20 -0.28 -1.28 115.11 118.17 1xi2 h GLN 172 Ca -0.00 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.48 1xi2 h GLN 172 Cb 0.31 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1xi2 h GLN 172 CO 0.01 0.72 -0.64 1.25 -0.67 0.00 0.00 178.83 179.49 1xi2 h HIS 173 N -0.13 0.00 0.00 2.96 2.76 -1.32 0.18 115.15 119.61 1xi2 h HIS 173 Ca 0.01 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1xi2 h HIS 173 Cb 0.68 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.64 1xi2 h HIS 173 CO 0.09 0.48 -0.07 0.78 -1.30 0.00 0.00 177.93 177.91 1xi2 h GLY 174 N -1.00 0.00 0.00 5.26 0.00 -1.13 -2.44 103.07 103.76 1xi2 h GLY 174 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1xi2 h GLY 174 CO -0.06 0.00 -0.14 2.41 0.00 0.00 0.00 176.54 178.75 1xi2 n THR 175 N -3.96 0.49 0.24 4.70 -1.04 -0.64 -4.53 114.28 109.54 1xi2 n THR 175 Ca -0.03 0.23 -0.15 0.00 -2.04 0.00 0.00 64.05 62.06 1xi2 n THR 175 Cb 0.16 -1.44 -0.08 0.00 -1.82 0.00 0.00 70.33 67.15 1xi2 n THR 175 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1xi2 h LEU 176 N -0.14 -0.49 -0.83 -4.42 3.38 -1.24 -2.39 115.31 109.18 1xi2 h LEU 176 Ca 0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1xi2 h LEU 176 Cb 0.14 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1xi2 h LEU 176 CO 0.00 -0.27 0.37 -0.74 0.09 0.00 0.00 178.44 177.89 1xi2 h HIS 177 N -0.68 1.22 -0.78 1.13 2.76 -0.69 -1.62 115.15 116.49 1xi2 h HIS 177 Ca -0.06 -0.07 0.13 0.00 -2.20 0.00 0.00 60.37 58.17 1xi2 h HIS 177 Cb 0.50 -0.37 -0.05 0.00 1.55 0.00 0.00 27.41 29.03 1xi2 h HIS 177 CO -0.02 0.90 0.51 0.35 -1.30 0.00 0.00 177.93 178.37 1xi2 h PHE 178 N 1.19 0.64 -0.10 5.26 3.57 -1.35 0.14 116.94 126.29 1xi2 h PHE 178 Ca 0.28 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1xi2 h PHE 178 Cb 0.16 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1xi2 h PHE 178 CO 0.02 0.27 0.00 0.00 -2.23 0.00 0.00 178.31 176.36 1xi2 n GLY 180 N 1.02 0.43 3.77 0.00 0.00 0.47 -0.49 105.19 110.39 1xi2 n GLY 180 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1xi2 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xi2 s PHE 181 N -2.14 2.80 -0.16 1.61 0.08 -0.68 -3.45 117.98 116.04 1xi2 s PHE 181 Ca 0.00 1.36 -0.19 0.00 0.12 0.00 0.00 56.93 58.22 1xi2 s PHE 181 Cb 0.00 -3.75 -0.04 0.00 -0.57 0.00 0.00 43.02 38.66 1xi2 s PHE 181 CO 0.00 -2.26 0.51 0.15 -0.10 0.00 0.00 175.22 173.52 1xi2 s LYS 182 N -2.13 4.26 -0.33 0.44 3.01 -0.16 -4.26 119.74 120.57 1xi2 s LYS 182 Ca 0.55 0.45 -0.15 0.00 -1.01 0.00 0.00 55.97 55.81 1xi2 s LYS 182 Cb -0.40 -3.51 -0.02 0.00 -1.01 0.00 0.00 37.83 32.89 1xi2 s LYS 182 CO 0.53 -0.03 0.37 0.08 0.51 0.00 0.00 175.35 176.81 1xi2 s VAL 183 N 1.23 5.16 0.56 3.17 1.01 -1.26 -1.21 120.40 129.06 1xi2 s VAL 183 Ca 0.25 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.25 1xi2 s VAL 183 Cb -0.15 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 1xi2 s VAL 183 CO 0.10 -0.05 1.01 -0.76 0.00 0.00 0.00 175.10 175.40 1xi2 s LEU 184 N 2.06 3.51 0.28 3.92 1.43 -0.26 -0.09 118.68 129.53 1xi2 s LEU 184 Ca 0.13 1.61 -0.29 0.00 -1.03 0.00 0.00 54.13 54.54 1xi2 s LEU 184 Cb -0.16 -4.51 -0.13 0.00 0.03 0.00 0.00 46.19 41.42 1xi2 s LEU 184 CO 0.12 -0.81 1.24 0.00 0.23 0.00 0.00 176.35 177.13 1xi2 n ALA 185 N -1.94 0.66 -1.59 4.21 0.00 -1.26 -4.65 120.51 115.94 1xi2 n ALA 185 Ca 0.07 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.56 1xi2 n ALA 185 Cb 0.54 -2.18 0.04 0.00 0.00 0.00 0.00 19.45 17.85 1xi2 n ALA 185 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xi2 s PRO 186 N -1.19 2.90 -0.32 0.00 0.04 -1.26 -4.73 135.00 130.43 1xi2 s PRO 186 Ca 0.62 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 63.12 1xi2 s PRO 186 Cb -0.65 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 31.95 1xi2 s PRO 186 CO 0.57 -1.20 0.12 -1.14 0.04 0.00 0.00 177.00 175.39 1xi2 s GLN 187 N -3.77 2.98 -0.24 4.56 2.00 0.01 -5.01 119.66 120.20 1xi2 s GLN 187 Ca 0.70 -0.95 -0.00 0.00 -2.00 0.00 0.00 55.36 53.12 1xi2 s GLN 187 Cb -0.23 -3.49 0.03 0.00 0.80 0.00 0.00 33.01 30.12 1xi2 s GLN 187 CO 0.37 -0.54 -0.09 0.42 -0.50 0.00 0.00 175.29 174.95 1xi2 s ILE 188 N 1.51 2.61 -0.61 -2.34 1.01 -1.26 -0.77 121.20 121.35 1xi2 s ILE 188 Ca 0.02 -1.12 -0.16 0.00 0.00 0.00 0.00 60.65 59.39 1xi2 s ILE 188 Cb -0.18 -2.33 0.15 0.00 0.01 0.00 0.00 42.46 40.11 1xi2 s ILE 188 CO 0.04 0.21 0.56 -0.44 0.00 0.00 0.00 174.94 175.31 1xi2 s SER 189 N 1.28 6.32 0.27 3.58 0.01 -0.22 -5.02 113.70 119.93 1xi2 s SER 189 Ca -0.01 -2.00 -0.29 0.00 1.31 0.00 0.00 55.95 54.96 1xi2 s SER 189 Cb -0.17 -2.21 -0.09 0.00 0.21 0.00 0.00 66.02 63.76 1xi2 s SER 189 CO -0.06 -0.79 1.18 -0.36 0.41 0.00 0.00 173.24 173.62 1xi2 s PHE 190 N 1.27 3.40 -0.39 2.43 0.08 -1.26 -2.40 117.98 121.11 1xi2 s PHE 190 Ca 0.06 1.56 -0.06 0.00 0.12 0.00 0.00 56.93 58.61 1xi2 s PHE 190 Cb -0.25 -3.43 0.01 0.00 -0.57 0.00 0.00 43.02 38.78 1xi2 s PHE 190 CO 0.00 -1.06 0.24 0.00 -0.10 0.00 0.00 175.22 174.31 1xi2 n ALA 191 N 1.37 -1.67 0.22 5.36 0.00 -0.83 -4.83 120.51 120.14 1xi2 n ALA 191 Ca 0.00 -0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.36 1xi2 n ALA 191 Cb 0.44 -0.59 0.51 0.00 0.00 0.00 0.00 19.45 19.81 1xi2 n ALA 191 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xi2 h PRO 192 N 0.68 0.00 -0.02 0.00 0.13 -1.77 -0.72 132.00 130.30 1xi2 h PRO 192 Ca -0.26 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.78 1xi2 h PRO 192 Cb 0.54 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1xi2 h PRO 192 CO 0.17 0.25 -0.38 0.93 -0.23 0.00 0.00 178.00 178.74 1xi2 h GLU 193 N 0.00 0.04 0.08 0.86 5.08 -1.88 -3.12 114.58 115.63 1xi2 h GLU 193 Ca -0.00 -0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.01 1xi2 h GLU 193 Cb 0.62 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1xi2 h GLU 193 CO 0.03 0.42 -1.83 0.82 -1.00 0.00 0.00 179.01 177.44 1xi2 h ILE 194 N 0.03 0.77 -3.88 3.13 1.08 -1.82 -3.48 117.51 113.34 1xi2 h ILE 194 Ca 0.00 -2.53 -0.50 0.00 -0.39 0.00 0.00 64.86 61.44 1xi2 h ILE 194 Cb 0.69 2.50 0.21 0.00 -3.07 0.00 0.00 36.82 37.15 1xi2 h ILE 194 CO 0.05 0.73 0.06 0.00 -0.69 0.00 0.00 178.15 178.30 1xi2 n ALA 195 N -2.79 -1.58 -1.97 1.87 0.00 -0.31 -5.04 120.51 110.69 1xi2 n ALA 195 Ca -0.24 -0.74 -0.23 0.00 0.00 0.00 0.00 53.44 52.23 1xi2 n ALA 195 Cb 1.05 -2.10 0.07 0.00 0.00 0.00 0.00 19.45 18.47 1xi2 n ALA 195 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xi2 s SER 196 N -2.50 4.88 0.16 0.00 1.04 -1.26 -4.86 113.70 111.16 1xi2 s SER 196 Ca 0.66 -0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.86 1xi2 s SER 196 Cb -0.23 -0.60 0.06 0.00 0.10 0.00 0.00 66.02 65.35 1xi2 s SER 196 CO 0.61 -1.46 1.80 -0.33 0.98 0.00 0.00 173.24 174.83 1xi2 h GLU 197 N -0.23 0.47 -0.94 4.02 4.39 -1.96 0.17 114.58 120.51 1xi2 h GLU 197 Ca -0.40 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.31 1xi2 h GLU 197 Cb 1.29 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.78 1xi2 h GLU 197 CO 0.49 0.31 0.61 0.93 -1.16 0.00 0.00 179.01 180.19 1xi2 h GLU 198 N 0.49 1.11 -0.13 2.33 3.07 -1.99 0.20 114.58 119.66 1xi2 h GLU 198 Ca 0.17 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.36 58.80 1xi2 h GLU 198 Cb 0.03 -0.25 0.01 0.00 -0.84 0.00 0.00 28.75 27.70 1xi2 h GLU 198 CO -0.09 0.73 -0.56 0.93 -1.40 0.00 0.00 179.01 178.63 1xi2 h GLU 199 N 1.14 0.60 -0.29 2.33 5.08 -1.79 -1.71 114.58 119.95 1xi2 h GLU 199 Ca 0.38 -0.48 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1xi2 h GLU 199 Cb 0.07 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1xi2 h GLU 199 CO -0.13 1.10 0.16 0.00 -1.00 0.00 0.00 179.01 179.14 1xi2 h ARG 200 N 0.24 0.41 -0.68 2.33 3.08 -0.21 0.01 114.38 119.56 1xi2 h ARG 200 Ca -0.03 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.99 1xi2 h ARG 200 Cb 1.19 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.12 1xi2 h ARG 200 CO 0.12 0.36 0.43 0.87 -1.07 0.00 0.00 179.97 180.67 1xi2 h LYS 201 N 0.35 0.82 -0.85 0.04 1.79 -0.65 -0.38 116.57 117.68 1xi2 h LYS 201 Ca 0.10 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1xi2 h LYS 201 Cb 0.07 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.49 1xi2 h LYS 201 CO -0.02 0.54 0.54 0.78 -1.08 0.00 0.00 179.45 180.22 1xi2 h GLY 202 N 0.84 1.21 0.83 3.86 0.00 -0.80 0.26 103.07 109.28 1xi2 h GLY 202 Ca 0.27 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1xi2 h GLY 202 CO -0.10 0.46 0.01 -0.33 0.00 0.00 0.00 176.54 176.59 1xi2 h MET 203 N 1.16 0.36 -0.48 4.80 2.86 0.15 0.23 114.93 124.02 1xi2 h MET 203 Ca 0.31 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.72 1xi2 h MET 203 Cb -0.10 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 1xi2 h MET 203 CO -0.06 0.54 -0.15 -0.39 1.06 0.00 0.00 176.91 177.91 1xi2 h VAL 204 N 0.13 1.27 -0.63 -2.22 -1.51 -0.80 -2.19 116.25 110.30 1xi2 h VAL 204 Ca 0.06 -1.30 -0.07 0.00 -1.23 0.00 0.00 66.70 64.16 1xi2 h VAL 204 Cb 0.37 1.11 -0.03 0.00 -2.13 0.00 0.00 31.29 30.61 1xi2 h VAL 204 CO 0.01 0.45 0.12 0.00 -1.23 0.00 0.00 177.57 176.92 1xi2 h ALA 205 N 0.88 1.02 -0.70 5.19 0.00 -0.40 -0.52 119.26 124.73 1xi2 h ALA 205 Ca 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1xi2 h ALA 205 Cb 0.72 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1xi2 h ALA 205 CO 0.05 0.63 0.31 0.00 0.00 0.00 0.00 179.25 180.24 1xi2 h ALA 206 N 1.17 1.22 0.02 0.00 0.00 -0.35 0.31 119.26 121.62 1xi2 h ALA 206 Ca 0.20 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xi2 h ALA 206 Cb 0.38 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xi2 h ALA 206 CO 0.01 0.58 -0.01 2.35 0.00 0.00 0.00 179.25 182.18 1xi2 h TRP 207 N 1.00 -0.02 -0.31 0.00 -0.00 -0.82 0.94 115.95 116.74 1xi2 h TRP 207 Ca 0.24 -0.00 0.01 0.00 -0.00 0.00 0.00 58.89 59.14 1xi2 h TRP 207 Cb 0.15 0.01 -0.02 0.00 -0.00 0.00 0.00 29.16 29.30 1xi2 h TRP 207 CO 0.01 0.26 0.19 0.66 -0.00 0.00 0.00 178.44 179.56 1xi2 h SER 208 N -0.31 0.31 -0.78 2.65 4.64 -0.76 -0.83 113.55 118.46 1xi2 h SER 208 Ca -0.00 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xi2 h SER 208 Cb 0.30 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.28 1xi2 h SER 208 CO 0.00 0.23 0.49 1.56 -0.87 0.00 0.00 176.83 178.24 1xi2 h GLN 209 N 0.38 1.05 -0.79 4.77 4.20 -0.33 -2.29 115.11 122.11 1xi2 h GLN 209 Ca 0.12 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1xi2 h GLN 209 Cb -0.02 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.50 1xi2 h GLN 209 CO -0.04 0.73 0.39 -0.09 -0.67 0.00 0.00 178.83 179.14 1xi2 h ARG 210 N 1.07 1.13 0.00 1.46 2.43 -0.33 -2.06 114.38 118.07 1xi2 h ARG 210 Ca 0.28 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1xi2 h ARG 210 Cb -0.07 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.28 1xi2 h ARG 210 CO -0.06 0.87 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.19 1xi2 h LEU 211 N 1.11 0.00 -1.65 3.80 3.38 -0.59 -1.99 115.31 119.37 1xi2 h LEU 211 Ca 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1xi2 h LEU 211 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1xi2 h LEU 211 CO -0.04 0.01 0.16 1.56 0.09 0.00 0.00 178.44 180.23 1xi2 h GLN 212 N 0.00 0.40 0.00 1.13 4.20 -1.10 -3.06 115.11 116.67 1xi2 h GLN 212 Ca -0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1xi2 h GLN 212 Cb 0.05 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1xi2 h GLN 212 CO 0.00 0.29 -0.45 0.25 -0.67 0.00 0.00 178.83 178.25 1xi2 n THR 213 N -4.46 1.90 0.17 -0.54 -2.24 -0.77 -4.81 114.28 103.52 1xi2 n THR 213 Ca 0.01 -2.78 0.06 0.00 -2.27 0.00 0.00 64.05 59.07 1xi2 n THR 213 Cb 0.09 -0.11 0.52 0.00 -2.10 0.00 0.00 70.33 68.74 1xi2 n THR 213 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1xi2 h ILE 214 N 1.50 1.08 0.00 2.28 3.07 -1.39 -2.26 117.51 121.78 1xi2 h ILE 214 Ca -0.02 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 66.12 1xi2 h ILE 214 Cb 1.09 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.61 1xi2 h ILE 214 CO 0.01 0.09 0.00 0.79 -1.05 0.00 0.00 178.15 177.99 1xi2 n TRP 215 N -4.45 0.00 0.67 0.16 7.02 -1.26 -2.51 117.44 117.07 1xi2 n TRP 215 Ca -0.01 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.58 1xi2 n TRP 215 Cb 0.14 -0.45 -0.05 0.00 -2.42 0.00 0.00 31.31 28.52 1xi2 n TRP 215 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1xi2 n LYS 216 N -1.45 0.22 -2.05 -0.99 4.01 -0.85 -4.97 118.16 112.07 1xi2 n LYS 216 Ca 0.06 -0.04 -0.36 0.00 -0.51 0.00 0.00 58.31 57.47 1xi2 n LYS 216 Cb 0.23 -1.54 0.03 0.00 -0.51 0.00 0.00 35.03 33.24 1xi2 n LYS 216 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1xi2 s GLU 217 N -3.16 3.02 -0.04 1.97 2.02 -1.04 -5.05 118.70 116.42 1xi2 s GLU 217 Ca 0.04 1.80 0.00 0.00 0.02 0.00 0.00 54.97 56.83 1xi2 s GLU 217 Cb 0.15 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.41 1xi2 s GLU 217 CO 0.84 -1.16 -0.01 -1.21 0.02 0.00 0.00 175.26 173.74 1xi2 s GLU 218 N -3.33 2.83 0.69 1.61 2.02 -1.26 -5.10 118.70 116.17 1xi2 s GLU 218 Ca 0.77 -0.54 -0.17 0.00 0.02 0.00 0.00 54.97 55.05 1xi2 s GLU 218 Cb -0.30 -2.69 0.02 0.00 0.10 0.00 0.00 34.13 31.26 1xi2 s GLU 218 CO 0.32 0.65 1.25 -2.14 0.02 0.00 0.00 175.26 175.37 1xi2 s PRO 219 N -1.23 2.33 0.57 0.39 0.02 -1.26 -4.70 135.00 131.12 1xi2 s PRO 219 Ca 0.16 1.92 -0.13 0.00 0.02 0.00 0.00 61.00 62.97 1xi2 s PRO 219 Cb -0.11 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.51 1xi2 s PRO 219 CO 0.06 -1.73 1.00 0.96 -0.33 0.00 0.00 177.00 176.96 1xi2 s ILE 220 N -1.69 4.64 -0.97 2.83 -4.36 0.87 -4.94 121.20 117.58 1xi2 s ILE 220 Ca 0.78 1.01 -0.24 0.00 -0.26 0.00 0.00 60.65 61.95 1xi2 s ILE 220 Cb -0.33 -3.80 0.05 0.00 1.25 0.00 0.00 42.46 39.62 1xi2 s ILE 220 CO 0.42 -0.93 1.42 -2.16 0.24 0.00 0.00 174.94 173.93 1xi2 s PRO 221 N -4.67 3.50 -1.12 0.37 0.04 -1.26 -4.65 135.00 127.22 1xi2 s PRO 221 Ca 0.56 -0.94 -0.23 0.00 0.04 0.00 0.00 61.00 60.43 1xi2 s PRO 221 Cb -0.10 -5.13 -0.12 0.00 0.04 0.00 0.00 34.50 29.18 1xi2 s PRO 221 CO 0.44 -2.21 1.95 0.00 0.04 0.00 0.00 177.00 177.22 1xi2 s THR 223 N 11.45 1.09 0.39 0.00 -4.23 -1.26 -4.97 115.64 118.11 1xi2 s THR 223 Ca 0.69 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 59.27 1xi2 s THR 223 Cb 0.00 -2.67 0.21 0.00 1.34 0.00 0.00 72.50 71.38 1xi2 s THR 223 CO 0.15 -0.07 1.97 0.00 -0.54 0.00 0.00 174.62 176.13 1xi2 h ALA 224 N 2.23 1.57 -0.05 3.99 0.00 -1.99 -2.56 119.26 122.45 1xi2 h ALA 224 Ca -0.40 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xi2 h ALA 224 Cb 1.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1xi2 h ALA 224 CO 0.67 0.32 0.03 1.25 0.00 0.00 0.00 179.25 181.52 1xi2 h HIS 225 N 0.42 0.07 -0.53 0.00 -0.00 -1.93 0.45 115.15 113.63 1xi2 h HIS 225 Ca 0.10 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.51 1xi2 h HIS 225 Cb 0.17 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.51 1xi2 h HIS 225 CO 0.01 0.15 0.27 2.35 -0.00 0.00 0.00 177.93 180.71 1xi2 h TRP 226 N -0.02 0.50 0.01 5.26 7.01 -1.69 0.97 115.95 127.99 1xi2 h TRP 226 Ca 0.02 0.02 -0.24 0.00 2.11 0.00 0.00 58.89 60.80 1xi2 h TRP 226 Cb 0.10 -0.15 0.01 0.00 -2.10 0.00 0.00 29.16 27.02 1xi2 h TRP 226 CO -0.04 0.24 -0.99 0.45 -2.79 0.00 0.00 178.44 175.32 1xi2 h HIS 227 N 0.53 0.70 0.00 2.65 3.86 -1.30 -3.42 115.15 118.17 1xi2 h HIS 227 Ca 0.23 -0.39 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1xi2 h HIS 227 Cb 0.13 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1xi2 h HIS 227 CO -0.10 1.22 -0.90 1.19 0.86 0.00 0.00 177.93 180.20 1xi2 n PHE 228 N -3.75 0.00 -0.01 2.45 3.72 0.16 -4.28 117.46 115.74 1xi2 n PHE 228 Ca -0.08 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.31 1xi2 n PHE 228 Cb 0.86 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.41 1xi2 n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xi2 n GLY 229 N 3.04 -2.85 0.10 1.37 0.00 0.33 -4.98 105.19 102.20 1xi2 n GLY 229 Ca 0.00 -0.94 0.01 0.00 0.00 0.00 0.00 46.02 45.09 1xi2 n GLY 229 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14