#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xi2 s GLY 2 N 0.00 1.62 0.04 0.00 0.00 -1.26 -5.08 107.32 102.64 1xi2 s GLY 2 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.78 1xi2 s GLY 2 CO 0.00 -0.12 -0.07 0.54 0.00 0.00 0.00 173.10 173.46 1xi2 s LYS 3 N -5.48 0.50 -0.10 2.90 -0.14 -1.26 -5.07 119.74 111.10 1xi2 s LYS 3 Ca 0.71 -0.76 -0.00 0.00 -1.36 0.00 0.00 55.97 54.56 1xi2 s LYS 3 Cb -0.09 -0.19 -0.03 0.00 -1.68 0.00 0.00 37.83 35.84 1xi2 s LYS 3 CO 0.55 0.02 -0.08 0.15 -0.76 0.00 0.00 175.35 175.24 1xi2 s LYS 4 N -1.70 3.04 -0.03 1.68 1.02 -1.26 -1.18 119.74 121.30 1xi2 s LYS 4 Ca -0.10 -0.57 0.05 0.00 0.02 0.00 0.00 55.97 55.37 1xi2 s LYS 4 Cb -0.09 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.56 1xi2 s LYS 4 CO -0.00 0.50 -0.17 0.08 -0.92 0.00 0.00 175.35 174.84 1xi2 s VAL 5 N -0.37 1.41 -0.14 3.17 1.01 0.10 -0.50 120.40 125.08 1xi2 s VAL 5 Ca 0.05 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1xi2 s VAL 5 Cb -0.12 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 1xi2 s VAL 5 CO 0.02 0.40 -0.18 -0.22 0.00 0.00 0.00 175.10 175.13 1xi2 s LEU 6 N -0.08 2.38 -0.26 3.92 2.96 -0.26 -1.12 118.68 126.22 1xi2 s LEU 6 Ca -0.01 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 1xi2 s LEU 6 Cb -0.10 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.07 1xi2 s LEU 6 CO 0.01 0.12 0.00 -0.63 -1.32 0.00 0.00 176.35 174.53 1xi2 s ILE 7 N 0.62 3.50 -0.41 6.68 1.01 0.20 -0.46 121.20 132.33 1xi2 s ILE 7 Ca -0.10 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 1xi2 s ILE 7 Cb -0.16 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.60 1xi2 s ILE 7 CO 0.03 0.23 0.44 -0.69 0.00 0.00 0.00 174.94 174.95 1xi2 s VAL 8 N 1.45 5.08 -0.15 2.92 1.01 0.34 -0.61 120.40 130.44 1xi2 s VAL 8 Ca 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1xi2 s VAL 8 Cb -0.16 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1xi2 s VAL 8 CO -0.01 -0.39 -0.03 -0.47 0.00 0.00 0.00 175.10 174.20 1xi2 s TYR 9 N 2.18 3.03 -0.57 5.22 5.04 -0.28 -1.20 117.35 130.78 1xi2 s TYR 9 Ca 0.13 -0.25 0.05 0.00 -2.44 0.00 0.00 57.07 54.56 1xi2 s TYR 9 Cb -0.17 -1.94 0.20 0.00 0.35 0.00 0.00 41.96 40.40 1xi2 s TYR 9 CO 0.14 0.01 0.51 0.00 -1.34 0.00 0.00 175.55 174.87 1xi2 n ALA 10 N 3.40 3.26 -3.18 3.97 0.00 -0.43 -1.84 120.51 125.70 1xi2 n ALA 10 Ca -0.17 -4.03 -0.13 0.00 0.00 0.00 0.00 53.44 49.11 1xi2 n ALA 10 Cb 0.53 -0.89 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.24 -0.29 -0.19 0.00 5.04 -1.26 -4.36 115.29 112.99 1xi2 s HIS 11 Ca 0.32 0.68 0.20 0.00 -1.54 0.00 0.00 55.06 54.72 1xi2 s HIS 11 Cb 0.05 0.10 0.37 0.00 0.04 0.00 0.00 32.58 33.15 1xi2 s HIS 11 CO -0.13 -0.18 1.59 1.96 -2.34 0.00 0.00 174.74 175.64 1xi2 h GLN 12 N 5.46 0.00 -4.90 2.88 7.50 -1.99 -3.44 115.11 120.62 1xi2 h GLN 12 Ca -0.27 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.22 1xi2 h GLN 12 Cb 1.19 0.00 -0.28 0.00 0.05 0.00 0.00 27.48 28.43 1xi2 h GLN 12 CO 0.34 0.26 -0.69 -2.00 -1.50 0.00 0.00 178.83 175.23 1xi2 s GLU 13 N -3.20 3.11 0.43 1.46 2.56 -1.26 -4.99 118.70 116.81 1xi2 s GLU 13 Ca 0.04 -0.81 0.10 0.00 0.00 0.00 0.00 54.97 54.31 1xi2 s GLU 13 Cb 0.07 -3.13 0.96 0.00 2.00 0.00 0.00 34.13 34.03 1xi2 s GLU 13 CO 0.69 -0.34 2.04 -1.35 -0.56 0.00 0.00 175.26 175.73 1xi2 h PRO 14 N 8.12 0.44 -0.06 4.30 0.11 -1.98 -1.39 132.00 141.55 1xi2 h PRO 14 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1xi2 h PRO 14 Cb 1.13 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1xi2 h PRO 14 CO 0.59 0.29 0.00 1.63 -0.21 0.00 0.00 178.00 180.30 1xi2 n LYS 15 N -4.48 1.26 -1.35 1.05 5.02 -1.26 -4.42 118.16 113.98 1xi2 n LYS 15 Ca 0.05 -0.39 -0.29 0.00 -2.02 0.00 0.00 58.31 55.67 1xi2 n LYS 15 Cb 0.19 -1.34 0.16 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.60 3.03 0.20 4.39 1.04 -0.52 -4.84 113.70 115.39 1xi2 s SER 16 Ca 0.30 1.07 -0.08 0.00 0.48 0.00 0.00 55.95 57.72 1xi2 s SER 16 Cb 0.15 -1.69 0.12 0.00 0.10 0.00 0.00 66.02 64.70 1xi2 s SER 16 CO 0.24 -2.87 1.70 0.15 0.98 0.00 0.00 173.24 173.45 1xi2 h PHE 17 N -1.71 1.18 -0.75 5.02 3.57 -1.91 -1.05 116.94 121.28 1xi2 h PHE 17 Ca -0.53 -0.16 -0.04 0.00 3.53 0.00 0.00 57.97 60.78 1xi2 h PHE 17 Cb 1.33 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 1xi2 h PHE 17 CO 0.29 0.98 0.31 -0.91 -2.23 0.00 0.00 178.31 176.75 1xi2 h ASN 18 N 1.05 1.03 -0.99 0.41 2.35 -1.92 -1.15 115.58 116.35 1xi2 h ASN 18 Ca 0.21 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1xi2 h ASN 18 Cb 0.42 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.48 1xi2 h ASN 18 CO 0.01 0.91 0.65 1.23 -1.65 0.00 0.00 177.43 178.58 1xi2 h GLY 19 N 1.08 1.40 1.18 2.83 0.00 -1.60 -0.32 103.07 107.62 1xi2 h GLY 19 Ca 0.25 -0.53 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 1xi2 h GLY 19 CO -0.02 0.52 -0.14 1.76 0.00 0.00 0.00 176.54 178.66 1xi2 h SER 20 N 1.34 0.96 -0.32 0.19 0.02 -0.62 -0.32 113.55 114.80 1xi2 h SER 20 Ca 0.36 -0.32 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1xi2 h SER 20 Cb -0.15 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.12 1xi2 h SER 20 CO -0.08 1.09 -0.19 -0.07 -1.14 0.00 0.00 176.83 176.45 1xi2 h LEU 21 N 0.85 0.80 -0.34 5.07 3.38 -0.76 -0.07 115.31 124.24 1xi2 h LEU 21 Ca 0.13 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1xi2 h LEU 21 Cb 0.69 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1xi2 h LEU 21 CO 0.05 0.98 -0.06 0.50 0.09 0.00 0.00 178.44 180.00 1xi2 h LYS 22 N 0.70 0.64 -0.50 1.13 3.11 -0.85 -2.24 116.57 118.55 1xi2 h LYS 22 Ca 0.10 -0.23 -0.10 0.00 -2.81 0.00 0.00 60.65 57.61 1xi2 h LYS 22 Cb 0.70 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.87 1xi2 h LYS 22 CO 0.05 0.79 -0.07 -0.91 -2.81 0.00 0.00 179.45 176.51 1xi2 h ASN 23 N 0.43 0.89 -0.71 4.20 2.35 -0.87 -1.39 115.58 120.48 1xi2 h ASN 23 Ca 0.09 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.55 1xi2 h ASN 23 Cb 0.54 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 1xi2 h ASN 23 CO 0.03 0.99 0.35 0.58 -1.65 0.00 0.00 177.43 177.72 1xi2 h VAL 24 N 0.82 1.23 -0.32 2.81 2.07 -0.95 0.12 116.25 122.03 1xi2 h VAL 24 Ca 0.14 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1xi2 h VAL 24 Cb 0.58 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1xi2 h VAL 24 CO 0.04 0.28 -0.01 0.00 0.02 0.00 0.00 177.57 177.89 1xi2 h ALA 25 N 1.34 0.44 -0.37 1.67 0.00 -1.02 -0.42 119.26 120.90 1xi2 h ALA 25 Ca 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xi2 h ALA 25 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xi2 h ALA 25 CO -0.03 0.21 0.17 0.28 0.00 0.00 0.00 179.25 179.88 1xi2 h VAL 26 N 0.38 1.17 0.05 0.00 2.07 -0.86 -0.64 116.25 118.41 1xi2 h VAL 26 Ca 0.09 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1xi2 h VAL 26 Cb 0.47 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1xi2 h VAL 26 CO 0.02 0.18 -0.05 0.44 0.02 0.00 0.00 177.57 178.18 1xi2 h ASP 27 N 0.45 -0.14 -0.20 0.57 3.32 -0.61 0.02 116.42 119.83 1xi2 h ASP 27 Ca 0.13 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1xi2 h ASP 27 Cb 0.13 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1xi2 h ASP 27 CO -0.02 -0.08 -0.12 -0.08 -1.72 0.00 0.00 179.24 177.22 1xi2 h GLU 28 N -0.12 0.44 -0.38 3.56 4.57 -1.03 -0.88 114.58 120.74 1xi2 h GLU 28 Ca 0.01 -0.20 -0.09 0.00 -1.18 0.00 0.00 59.36 57.89 1xi2 h GLU 28 Cb 0.12 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1xi2 h GLU 28 CO -0.02 0.75 -0.14 -0.07 -1.18 0.00 0.00 179.01 178.35 1xi2 h LEU 29 N 0.13 0.68 -0.65 1.64 3.38 -1.12 -1.73 115.31 117.63 1xi2 h LEU 29 Ca 0.04 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1xi2 h LEU 29 Cb 0.63 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1xi2 h LEU 29 CO 0.03 0.84 -0.01 -1.28 0.09 0.00 0.00 178.44 178.11 1xi2 h SER 30 N 0.63 1.02 -0.22 -0.43 0.87 -0.93 -1.72 113.55 112.76 1xi2 h SER 30 Ca 0.11 -0.29 -0.04 0.00 -1.23 0.00 0.00 61.79 60.33 1xi2 h SER 30 Cb 0.59 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 1xi2 h SER 30 CO 0.04 1.07 0.01 -0.09 -0.53 0.00 0.00 176.83 177.34 1xi2 h ARG 31 N 0.95 0.49 0.00 2.24 2.43 -0.75 -1.42 114.38 118.32 1xi2 h ARG 31 Ca 0.17 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1xi2 h ARG 31 Cb 0.56 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1xi2 h ARG 31 CO 0.03 0.51 0.00 1.04 -1.51 0.00 0.00 179.97 180.04 1xi2 n GLN 32 N -4.30 0.19 -0.15 0.20 6.02 -0.69 -4.87 117.38 113.78 1xi2 n GLN 32 Ca 0.01 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 1xi2 n GLN 32 Cb 0.23 -1.84 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 0.17 0.82 3.80 1.08 0.00 -0.54 -5.07 105.19 105.45 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 -2.56 5.08 -0.04 0.00 2.01 -0.32 -4.51 115.64 115.29 1xi2 s THR 35 Ca 0.63 1.13 0.05 0.00 0.31 0.00 0.00 61.69 63.81 1xi2 s THR 35 Cb -0.16 -3.91 -0.00 0.00 0.01 0.00 0.00 72.50 68.43 1xi2 s THR 35 CO 0.42 0.19 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.67 1xi2 s VAL 36 N 1.42 1.46 -0.01 3.82 1.01 -1.26 0.03 120.40 126.87 1xi2 s VAL 36 Ca 0.29 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1xi2 s VAL 36 Cb -0.16 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 1xi2 s VAL 36 CO 0.11 0.42 -0.09 -0.89 0.00 0.00 0.00 175.10 174.66 1xi2 s THR 37 N -0.02 0.70 -0.08 3.92 2.01 -0.28 -4.98 115.64 116.92 1xi2 s THR 37 Ca -0.03 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 61.65 1xi2 s THR 37 Cb -0.11 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.80 1xi2 s THR 37 CO 0.02 0.20 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.27 1xi2 s VAL 38 N -0.11 1.70 -0.47 3.82 1.01 -1.26 -0.63 120.40 124.46 1xi2 s VAL 38 Ca 0.02 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1xi2 s VAL 38 Cb -0.05 -1.48 0.12 0.00 0.00 0.00 0.00 36.38 34.97 1xi2 s VAL 38 CO -0.00 0.48 0.35 -0.44 0.00 0.00 0.00 175.10 175.49 1xi2 s SER 39 N 0.32 5.73 -1.03 3.32 0.01 0.22 -4.96 113.70 117.31 1xi2 s SER 39 Ca -0.13 -1.88 -0.18 0.00 1.31 0.00 0.00 55.95 55.07 1xi2 s SER 39 Cb -0.16 -2.02 0.12 0.00 0.21 0.00 0.00 66.02 64.17 1xi2 s SER 39 CO 0.06 -0.70 1.28 -0.62 0.41 0.00 0.00 173.24 173.67 1xi2 s ASP 40 N 2.70 6.72 0.20 2.44 -1.08 -1.26 -1.12 116.67 125.26 1xi2 s ASP 40 Ca 0.05 -2.19 -0.14 0.00 -0.52 0.00 0.00 52.55 49.75 1xi2 s ASP 40 Cb -0.26 -2.44 0.19 0.00 -1.46 0.00 0.00 42.92 38.96 1xi2 s ASP 40 CO -0.00 -1.07 1.64 -0.07 0.52 0.00 0.00 175.17 176.19 1xi2 h LEU 41 N 10.75 -0.48 -0.73 -1.34 3.38 -1.74 -0.54 115.31 124.61 1xi2 h LEU 41 Ca 0.22 0.16 -0.09 0.00 0.09 0.00 0.00 57.88 58.26 1xi2 h LEU 41 Cb 0.98 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 1xi2 h LEU 41 CO 1.21 -0.17 -0.04 1.88 0.09 0.00 0.00 178.44 181.40 1xi2 h TYR 42 N 0.01 1.02 -0.10 1.13 0.05 -1.84 -1.32 116.97 115.92 1xi2 h TYR 42 Ca 0.27 -0.17 -0.07 0.00 0.05 0.00 0.00 58.73 58.80 1xi2 h TYR 42 Cb 0.41 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1xi2 h TYR 42 CO -0.45 0.93 -0.26 0.00 -1.05 0.00 0.00 178.16 177.33 1xi2 h ALA 43 N 1.09 1.37 -0.00 3.88 0.00 -1.70 -1.63 119.26 122.29 1xi2 h ALA 43 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xi2 h ALA 43 Cb 0.56 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xi2 h ALA 43 CO 0.03 0.44 -0.11 -1.33 0.00 0.00 0.00 179.25 178.28 1xi2 n MET 44 N -4.17 0.24 -3.67 0.00 2.81 -0.28 -4.91 117.12 107.15 1xi2 n MET 44 Ca -0.01 -0.05 -0.27 0.00 -1.81 0.00 0.00 57.70 55.55 1xi2 n MET 44 Cb 0.36 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.40 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 -1.33 -5.15 -4.62 7.83 3.02 -0.60 -4.82 115.26 109.59 1xi2 n ASN 45 Ca 0.10 -0.62 -0.50 0.00 -0.03 0.00 0.00 54.58 53.53 1xi2 n ASN 45 Cb 0.31 -4.11 -0.05 0.00 -0.61 0.00 0.00 39.78 35.31 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 -4.63 1.81 -2.39 3.10 7.35 -0.60 -4.90 117.46 117.20 1xi2 n PHE 46 Ca 0.01 0.49 -0.43 0.00 -0.76 0.00 0.00 57.45 56.77 1xi2 n PHE 46 Cb 0.54 -2.41 -0.02 0.00 0.35 0.00 0.00 39.48 37.94 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 0.65 4.16 0.15 -4.13 2.56 -1.26 -4.93 118.70 115.91 1xi2 s GLU 47 Ca 0.82 1.63 0.22 0.00 0.00 0.00 0.00 54.97 57.64 1xi2 s GLU 47 Cb -0.85 -3.81 -0.07 0.00 2.00 0.00 0.00 34.13 31.41 1xi2 s GLU 47 CO 0.43 -0.80 0.93 -2.30 -0.56 0.00 0.00 175.26 172.96 1xi2 n PRO 48 N 6.79 0.62 -2.50 4.30 -0.02 -1.26 -4.71 135.00 138.22 1xi2 n PRO 48 Ca 0.14 0.09 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 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 -3.31 4.51 -0.59 -0.52 0.52 -1.26 -4.35 118.95 113.95 1xi2 s ARG 49 Ca -0.02 1.70 -0.23 0.00 -0.52 0.00 0.00 55.73 56.66 1xi2 s ARG 49 Cb 0.10 -3.34 0.05 0.00 0.52 0.00 0.00 34.95 32.28 1xi2 s ARG 49 CO 0.81 -0.11 0.94 0.00 0.02 0.00 0.00 175.30 176.97 1xi2 s ALA 50 N 0.57 3.14 0.29 2.13 0.00 -1.26 -4.98 121.76 121.66 1xi2 s ALA 50 Ca 0.54 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1xi2 s ALA 50 Cb -0.28 -3.77 -0.04 0.00 0.00 0.00 0.00 23.12 19.02 1xi2 s ALA 50 CO 0.31 -2.52 0.14 0.95 0.00 0.00 0.00 175.76 174.64 1xi2 s THR 51 N 3.98 0.42 -1.30 0.00 -4.23 -1.26 -5.02 115.64 108.22 1xi2 s THR 51 Ca 0.27 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.88 1xi2 s THR 51 Cb -0.14 -2.55 0.15 0.00 1.34 0.00 0.00 72.50 71.30 1xi2 s THR 51 CO 0.16 0.00 1.25 -0.90 -0.54 0.00 0.00 174.62 174.59 1xi2 n ASP 52 N -0.77 0.00 0.00 3.99 5.68 -1.26 -1.34 116.55 122.85 1xi2 n ASP 52 Ca 0.00 0.24 0.11 0.00 -0.50 0.00 0.00 54.79 54.65 1xi2 n ASP 52 Cb 0.65 -0.35 0.50 0.00 -1.14 0.00 0.00 41.12 40.79 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 -1.35 0.06 0.00 0.11 5.02 -1.26 -2.69 118.16 118.05 1xi2 n LYS 53 Ca 0.04 0.10 0.14 0.00 -2.02 0.00 0.00 58.31 56.57 1xi2 n LYS 53 Cb 0.09 -1.50 0.60 0.00 -0.02 0.00 0.00 35.03 34.20 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 -1.46 0.11 -4.19 4.39 8.00 -0.45 -4.67 116.55 118.28 1xi2 n ASP 54 Ca 0.06 0.18 -0.31 0.00 0.71 0.00 0.00 54.79 55.44 1xi2 n ASP 54 Cb 0.25 -0.32 -0.17 0.00 -0.02 0.00 0.00 41.12 40.86 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 -2.87 1.93 -0.22 0.53 -1.09 -1.10 -0.94 121.20 117.44 1xi2 s ILE 55 Ca 0.18 -0.94 0.16 0.00 -2.23 0.00 0.00 60.65 57.82 1xi2 s ILE 55 Cb 0.19 -1.68 -0.23 0.00 -1.58 0.00 0.00 42.46 39.16 1xi2 s ILE 55 CO 0.53 0.53 0.44 0.41 -1.23 0.00 0.00 174.94 175.62 1xi2 n THR 56 N 3.63 0.00 -2.18 2.92 -1.04 0.32 -4.95 114.28 112.98 1xi2 n THR 56 Ca -0.20 -0.30 -0.07 0.00 -2.04 0.00 0.00 64.05 61.44 1xi2 n THR 56 Cb 0.53 0.37 0.04 0.00 -1.82 0.00 0.00 70.33 69.45 1xi2 n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xi2 n GLY 57 N 1.53 0.40 3.69 3.41 0.00 -1.25 -5.01 105.19 107.96 1xi2 n GLY 57 Ca -0.01 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1xi2 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xi2 s THR 58 N -0.97 2.98 0.51 2.61 2.01 -1.26 -4.96 115.64 116.56 1xi2 s THR 58 Ca 0.21 0.48 -0.20 0.00 0.31 0.00 0.00 61.69 62.49 1xi2 s THR 58 Cb -0.01 -3.31 -0.07 0.00 0.01 0.00 0.00 72.50 69.12 1xi2 s THR 58 CO 0.14 0.00 1.10 -0.76 -0.69 0.00 0.00 174.62 174.42 1xi2 s LEU 59 N 2.41 3.81 0.28 4.42 1.43 -1.26 -4.94 118.68 124.83 1xi2 s LEU 59 Ca 0.73 2.11 0.03 0.00 -1.03 0.00 0.00 54.13 55.97 1xi2 s LEU 59 Cb -0.40 -4.53 0.41 0.00 0.03 0.00 0.00 46.19 41.69 1xi2 s LEU 59 CO 0.32 -1.04 1.71 -1.28 0.23 0.00 0.00 176.35 176.29 1xi2 h SER 60 N 1.42 0.46 -2.42 2.29 0.87 -1.93 -3.38 113.55 110.86 1xi2 h SER 60 Ca -0.50 -0.16 -0.50 0.00 -1.23 0.00 0.00 61.79 59.40 1xi2 h SER 60 Cb 1.25 -0.13 -0.37 0.00 -0.44 0.00 0.00 62.40 62.72 1xi2 h SER 60 CO 0.58 0.73 -0.78 0.21 -0.53 0.00 0.00 176.83 177.04 1xi2 s ASN 61 N -6.82 2.49 0.00 6.23 3.84 -1.26 -5.00 114.94 114.41 1xi2 s ASN 61 Ca -0.07 -1.76 0.17 0.00 0.21 0.00 0.00 52.86 51.42 1xi2 s ASN 61 Cb 0.14 -0.07 0.95 0.00 -0.55 0.00 0.00 41.25 41.72 1xi2 s ASN 61 CO 0.79 -0.32 1.49 -0.81 -2.79 0.00 0.00 177.10 175.46 1xi2 n PRO 62 N 4.40 0.38 -0.08 0.43 -0.04 -1.26 -3.33 135.00 135.50 1xi2 n PRO 62 Ca 0.08 0.07 -0.22 0.00 -0.04 0.00 0.00 63.50 63.39 1xi2 n PRO 62 Cb 0.41 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.24 1xi2 n PRO 62 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1xi2 n GLU 63 N -1.16 0.66 -3.91 0.54 2.13 -1.26 -4.86 120.64 112.78 1xi2 n GLU 63 Ca 0.10 0.28 -0.30 0.00 0.66 0.00 0.00 57.16 57.90 1xi2 n GLU 63 Cb 0.10 -1.62 -0.16 0.00 0.27 0.00 0.00 31.44 30.04 1xi2 n GLU 63 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1xi2 s VAL 64 N -2.51 1.44 -0.21 6.31 1.01 -1.21 -5.11 120.40 120.13 1xi2 s VAL 64 Ca -0.30 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 60.15 1xi2 s VAL 64 Cb 0.09 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1xi2 s VAL 64 CO 0.64 -0.17 1.10 0.12 0.00 0.00 0.00 175.10 176.79 1xi2 s PHE 65 N 1.42 3.21 -0.27 5.22 5.36 -1.26 -4.75 117.98 126.91 1xi2 s PHE 65 Ca -0.04 1.34 0.03 0.00 -0.96 0.00 0.00 56.93 57.30 1xi2 s PHE 65 Cb -0.19 -3.33 0.07 0.00 -0.34 0.00 0.00 43.02 39.23 1xi2 s PHE 65 CO -0.07 -0.82 -0.08 1.21 -1.46 0.00 0.00 175.22 174.00 1xi2 s ASN 66 N 1.41 4.38 0.17 6.13 3.84 -1.26 -5.03 114.94 124.58 1xi2 s ASN 66 Ca 0.47 -1.46 -0.15 0.00 0.21 0.00 0.00 52.86 51.93 1xi2 s ASN 66 Cb -0.17 -1.48 0.13 0.00 -0.55 0.00 0.00 41.25 39.17 1xi2 s ASN 66 CO 0.09 -0.23 1.70 0.22 -2.79 0.00 0.00 177.10 176.09 1xi2 h TYR 67 N 7.79 0.02 -0.06 0.43 3.20 -1.97 -0.86 116.97 125.51 1xi2 h TYR 67 Ca -0.17 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.75 1xi2 h TYR 67 Cb 1.04 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 1xi2 h TYR 67 CO 0.59 -0.06 -0.03 0.78 -1.64 0.00 0.00 178.16 177.80 1xi2 h GLY 68 N 0.13 0.03 0.97 1.82 0.00 -1.99 -0.35 103.07 103.68 1xi2 h GLY 68 Ca 0.21 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 1xi2 h GLY 68 CO -0.33 -0.04 0.07 -2.08 0.00 0.00 0.00 176.54 174.16 1xi2 h VAL 69 N -0.03 1.05 -0.67 4.60 2.07 -1.93 -1.51 116.25 119.83 1xi2 h VAL 69 Ca 0.03 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.35 1xi2 h VAL 69 Cb 0.08 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1xi2 h VAL 69 CO -0.08 0.05 0.14 -0.33 0.02 0.00 0.00 177.57 177.37 1xi2 h GLU 70 N 0.12 1.08 -0.04 1.57 4.39 -1.05 -2.10 114.58 118.55 1xi2 h GLU 70 Ca 0.04 -0.26 -0.15 0.00 0.34 0.00 0.00 59.36 59.32 1xi2 h GLU 70 Cb 0.02 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1xi2 h GLU 70 CO -0.01 0.97 -0.67 1.79 -1.16 0.00 0.00 179.01 179.93 1xi2 h THR 71 N 1.02 1.43 -0.16 1.13 1.35 -0.98 0.26 112.91 116.95 1xi2 h THR 71 Ca 0.21 -2.16 -0.01 0.00 -0.55 0.00 0.00 66.41 63.90 1xi2 h THR 71 Cb 0.39 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 1xi2 h THR 71 CO 0.01 0.63 0.06 -0.74 -0.25 0.00 0.00 175.52 175.23 1xi2 h HIS 72 N 0.13 0.25 -0.44 4.73 -0.00 -1.09 0.38 115.15 119.11 1xi2 h HIS 72 Ca -0.01 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.29 1xi2 h HIS 72 Cb 1.20 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.51 1xi2 h HIS 72 CO 0.02 0.33 0.11 1.49 -0.00 0.00 0.00 177.93 179.89 1xi2 h GLU 73 N 0.10 0.70 -0.54 5.26 4.57 -1.32 -2.50 114.58 120.86 1xi2 h GLU 73 Ca 0.05 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 1xi2 h GLU 73 Cb 0.19 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 1xi2 h GLU 73 CO -0.00 0.70 0.24 0.00 -1.18 0.00 0.00 179.01 178.77 1xi2 h ALA 74 N 0.97 1.42 -0.23 2.92 0.00 -0.77 -0.55 119.26 123.01 1xi2 h ALA 74 Ca 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1xi2 h ALA 74 Cb 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1xi2 h ALA 74 CO 0.00 0.45 0.06 -0.92 0.00 0.00 0.00 179.25 178.84 1xi2 h TYR 75 N 0.76 0.39 -0.34 0.00 3.20 -0.67 0.41 116.97 120.72 1xi2 h TYR 75 Ca 0.19 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1xi2 h TYR 75 Cb 0.11 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1xi2 h TYR 75 CO 0.01 0.47 -0.03 0.87 -1.64 0.00 0.00 178.16 177.84 1xi2 h LYS 76 N 0.20 0.53 0.00 1.82 1.57 -1.00 -2.89 116.57 116.80 1xi2 h LYS 76 Ca 0.07 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1xi2 h LYS 76 Cb 0.27 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1xi2 h LYS 76 CO 0.00 0.58 -0.66 1.04 -0.57 0.00 0.00 179.45 179.84 1xi2 n GLN 77 N -4.26 0.26 -2.63 3.15 1.13 -0.26 -4.98 117.38 109.80 1xi2 n GLN 77 Ca 0.01 0.07 -0.07 0.00 -1.94 0.00 0.00 57.00 55.07 1xi2 n GLN 77 Cb 0.27 -1.65 0.04 0.00 0.11 0.00 0.00 30.24 29.00 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 -2.03 -2.73 -0.40 -1.09 1.74 0.12 -4.98 116.66 107.30 1xi2 n ARG 78 Ca 0.03 0.34 0.07 0.00 -0.77 0.00 0.00 57.85 57.52 1xi2 n ARG 78 Cb 0.43 -3.84 0.14 0.00 -1.02 0.00 0.00 32.46 28.17 1xi2 n ARG 78 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1xi2 n SER 79 N -1.60 1.79 -4.86 0.55 3.41 0.12 -5.03 113.62 108.00 1xi2 n SER 79 Ca -0.10 -3.18 -0.31 0.00 -0.26 0.00 0.00 58.87 55.03 1xi2 n SER 79 Cb 0.56 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 1xi2 n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xi2 s LEU 80 N -2.49 3.51 0.44 1.04 1.43 -1.24 -0.52 118.68 120.84 1xi2 s LEU 80 Ca 0.31 1.41 -0.26 0.00 -1.03 0.00 0.00 54.13 54.56 1xi2 s LEU 80 Cb 0.29 -4.38 -0.09 0.00 0.03 0.00 0.00 46.19 42.04 1xi2 s LEU 80 CO -0.02 -0.66 1.44 0.00 0.23 0.00 0.00 176.35 177.34 1xi2 s ALA 81 N -2.80 3.30 0.54 4.21 0.00 -0.12 -4.81 121.76 122.09 1xi2 s ALA 81 Ca 0.56 1.49 0.19 0.00 0.00 0.00 0.00 51.96 54.20 1xi2 s ALA 81 Cb -0.10 -3.60 1.40 0.00 0.00 0.00 0.00 23.12 20.82 1xi2 s ALA 81 CO 0.40 -1.18 2.17 0.66 0.00 0.00 0.00 175.76 177.82 1xi2 h SER 82 N 2.44 0.00 0.15 0.00 4.64 -1.94 -2.12 113.55 116.71 1xi2 h SER 82 Ca -0.51 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.75 1xi2 h SER 82 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 1xi2 h SER 82 CO 0.62 0.00 -0.21 -2.24 -0.87 0.00 0.00 176.83 174.12 1xi2 h ASP 83 N 0.00 0.12 -0.03 4.97 2.03 -1.99 0.85 116.42 122.36 1xi2 h ASP 83 Ca -0.00 -0.03 -0.04 0.00 -0.73 0.00 0.00 57.03 56.23 1xi2 h ASP 83 Cb 0.00 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 1xi2 h ASP 83 CO 0.00 0.35 -0.12 0.40 -1.03 0.00 0.00 179.24 178.83 1xi2 h ILE 84 N 0.12 1.47 -0.07 4.15 2.04 -1.75 -2.99 117.51 120.47 1xi2 h ILE 84 Ca 0.02 -1.57 -0.05 0.00 1.00 0.00 0.00 64.86 64.26 1xi2 h ILE 84 Cb 0.45 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1xi2 h ILE 84 CO 0.03 0.43 -0.19 0.71 0.00 0.00 0.00 178.15 179.13 1xi2 h THR 85 N -0.42 1.18 -0.86 -0.27 1.35 -1.34 -0.85 112.91 111.69 1xi2 h THR 85 Ca -0.01 -0.82 -0.03 0.00 -0.55 0.00 0.00 66.41 65.01 1xi2 h THR 85 Cb 0.76 1.34 -0.04 0.00 -1.73 0.00 0.00 68.15 68.48 1xi2 h THR 85 CO 0.03 0.24 0.41 0.44 -0.25 0.00 0.00 175.52 176.39 1xi2 h ASP 86 N 0.11 1.12 -0.03 5.36 3.32 -0.83 -1.30 116.42 124.17 1xi2 h ASP 86 Ca 0.02 -0.13 -0.19 0.00 0.02 0.00 0.00 57.03 56.75 1xi2 h ASP 86 Cb 0.41 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1xi2 h ASP 86 CO 0.03 0.94 -0.66 -0.33 -1.72 0.00 0.00 179.24 177.50 1xi2 h GLU 87 N 1.22 0.66 -0.43 3.56 4.39 -1.18 -3.07 114.58 119.72 1xi2 h GLU 87 Ca 0.30 -0.48 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 1xi2 h GLU 87 Cb 0.12 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1xi2 h GLU 87 CO -0.04 1.10 0.12 1.96 -1.16 0.00 0.00 179.01 180.99 1xi2 h GLN 88 N 0.47 0.64 -0.41 2.33 4.20 -0.82 -1.47 115.11 120.05 1xi2 h GLN 88 Ca -0.02 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1xi2 h GLN 88 Cb 1.25 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 1xi2 h GLN 88 CO 0.13 0.57 0.22 0.87 -0.67 0.00 0.00 178.83 179.95 1xi2 h LYS 89 N 0.63 0.58 -0.68 1.46 1.57 -1.18 0.16 116.57 119.10 1xi2 h LYS 89 Ca 0.15 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1xi2 h LYS 89 Cb 0.21 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1xi2 h LYS 89 CO -0.01 0.47 0.37 0.87 -0.57 0.00 0.00 179.45 180.58 1xi2 h LYS 90 N 0.53 0.95 -0.30 3.15 1.57 -1.33 -2.14 116.57 119.00 1xi2 h LYS 90 Ca 0.14 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1xi2 h LYS 90 Cb 0.06 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1xi2 h LYS 90 CO -0.02 0.72 -0.16 0.28 -0.57 0.00 0.00 179.45 179.70 1xi2 h VAL 91 N 0.94 1.29 -0.83 0.50 2.07 -0.97 -2.32 116.25 116.92 1xi2 h VAL 91 Ca 0.24 -1.27 0.07 0.00 0.82 0.00 0.00 66.70 66.56 1xi2 h VAL 91 Cb 0.05 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1xi2 h VAL 91 CO -0.04 0.41 0.54 -0.09 0.02 0.00 0.00 177.57 178.41 1xi2 h ARG 92 N 0.40 0.87 0.00 1.57 2.43 -0.49 -2.27 114.38 116.89 1xi2 h ARG 92 Ca 0.07 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1xi2 h ARG 92 Cb 0.69 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1xi2 h ARG 92 CO 0.05 0.58 -0.49 0.93 -1.51 0.00 0.00 179.97 179.52 1xi2 h GLU 93 N 0.90 0.00 -6.93 0.20 5.08 -1.33 -3.47 114.58 109.02 1xi2 h GLU 93 Ca 0.36 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.24 1xi2 h GLU 93 Cb 0.26 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.53 1xi2 h GLU 93 CO -0.13 0.00 0.43 0.00 -1.00 0.00 0.00 179.01 178.30 1xi2 s ALA 94 N -3.26 3.14 -0.14 3.43 0.00 -0.86 -4.71 121.76 119.37 1xi2 s ALA 94 Ca 0.04 0.75 0.17 0.00 0.00 0.00 0.00 51.96 52.92 1xi2 s ALA 94 Cb 0.08 -3.29 -0.24 0.00 0.00 0.00 0.00 23.12 19.68 1xi2 s ALA 94 CO 0.72 -0.23 0.32 -0.25 0.00 0.00 0.00 175.76 176.33 1xi2 n ASP 95 N 0.15 0.31 -3.82 0.00 8.00 0.34 -4.89 116.55 116.64 1xi2 n ASP 95 Ca 0.04 0.15 -0.14 0.00 0.71 0.00 0.00 54.79 55.54 1xi2 n ASP 95 Cb 0.49 0.71 -0.15 0.00 -0.02 0.00 0.00 41.12 42.14 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 -5.61 1.40 -0.20 0.64 2.96 -1.03 -1.13 118.68 115.70 1xi2 s LEU 96 Ca -0.08 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1xi2 s LEU 96 Cb 0.07 -0.08 0.02 0.00 0.50 0.00 0.00 46.19 46.70 1xi2 s LEU 96 CO 0.83 -0.08 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.95 1xi2 s VAL 97 N 0.70 2.37 -0.15 1.68 1.01 0.01 -1.10 120.40 124.91 1xi2 s VAL 97 Ca -0.06 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 1xi2 s VAL 97 Cb -0.09 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1xi2 s VAL 97 CO -0.02 0.42 0.03 -0.63 0.00 0.00 0.00 175.10 174.90 1xi2 s ILE 98 N 1.30 4.49 -0.25 2.22 1.01 0.39 -1.19 121.20 129.17 1xi2 s ILE 98 Ca 0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 1xi2 s ILE 98 Cb -0.14 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 1xi2 s ILE 98 CO -0.10 0.50 0.05 -0.36 0.00 0.00 0.00 174.94 175.03 1xi2 s PHE 99 N 0.07 3.07 -0.26 3.97 0.08 -0.12 -0.50 117.98 124.29 1xi2 s PHE 99 Ca 0.03 -0.68 -0.04 0.00 0.12 0.00 0.00 56.93 56.37 1xi2 s PHE 99 Cb -0.13 -2.21 0.01 0.00 -0.57 0.00 0.00 43.02 40.12 1xi2 s PHE 99 CO 0.01 -0.46 0.00 -1.14 -0.10 0.00 0.00 175.22 173.54 1xi2 s GLN 100 N 1.56 3.06 0.05 0.44 2.00 -0.34 -0.23 119.66 126.19 1xi2 s GLN 100 Ca 0.05 -0.85 -0.27 0.00 -2.00 0.00 0.00 55.36 52.30 1xi2 s GLN 100 Cb -0.15 -3.15 0.08 0.00 0.80 0.00 0.00 33.01 30.59 1xi2 s GLN 100 CO 0.02 -0.37 0.73 -0.59 -0.50 0.00 0.00 175.29 174.57 1xi2 s PHE 101 N 1.43 -0.50 0.11 1.67 -0.71 -0.78 -1.32 117.98 117.88 1xi2 s PHE 101 Ca 0.02 0.47 -0.22 0.00 -1.04 0.00 0.00 56.93 56.16 1xi2 s PHE 101 Cb -0.16 0.52 -0.07 0.00 -1.21 0.00 0.00 43.02 42.09 1xi2 s PHE 101 CO -0.01 -0.68 0.67 -1.25 -1.34 0.00 0.00 175.22 172.60 1xi2 s PRO 102 N -2.88 4.38 0.12 1.99 0.04 -1.26 -2.25 135.00 135.14 1xi2 s PRO 102 Ca -0.00 0.93 -0.31 0.00 0.04 0.00 0.00 61.00 61.66 1xi2 s PRO 102 Cb -0.01 -3.26 -0.09 0.00 0.04 0.00 0.00 34.50 31.19 1xi2 s PRO 102 CO -0.06 0.58 1.52 -1.17 0.04 0.00 0.00 177.00 177.91 1xi2 s LEU 103 N -1.03 4.37 -0.22 -3.56 2.96 0.32 -4.36 118.68 117.14 1xi2 s LEU 103 Ca 0.32 2.48 0.01 0.00 -0.22 0.00 0.00 54.13 56.72 1xi2 s LEU 103 Cb -0.21 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 42.95 1xi2 s LEU 103 CO 0.22 -0.78 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.08 1xi2 s TYR 104 N 1.45 2.58 -1.29 5.38 1.51 -0.16 -4.80 117.35 122.03 1xi2 s TYR 104 Ca 0.69 -1.80 -0.06 0.00 -1.01 0.00 0.00 57.07 54.89 1xi2 s TYR 104 Cb -0.40 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 39.77 1xi2 s TYR 104 CO 0.31 -0.78 0.63 0.91 -1.11 0.00 0.00 175.55 175.51 1xi2 n TRP 105 N 4.63 -1.84 -2.15 2.71 5.03 -1.26 -1.53 117.44 123.03 1xi2 n TRP 105 Ca -0.14 0.71 -0.18 0.00 3.03 0.00 0.00 57.50 60.92 1xi2 n TRP 105 Cb 0.45 -3.92 -0.03 0.00 -1.03 0.00 0.00 31.31 26.78 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 -4.25 -0.84 -2.43 -5.99 3.01 -1.26 -4.88 117.46 100.82 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 -3.46 0.00 0.00 -0.01 0.00 0.00 39.48 36.67 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 -1.69 0.00 -4.90 4.37 2.88 -0.58 -4.86 113.62 108.84 1xi2 n SER 107 Ca -0.21 -0.23 -0.29 0.00 -1.33 0.00 0.00 58.87 56.82 1xi2 n SER 107 Cb 0.64 0.00 -0.03 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 -2.65 5.03 0.62 2.46 -7.23 -1.26 -0.98 120.40 116.40 1xi2 s VAL 108 Ca 0.00 0.06 -0.19 0.00 -1.81 0.00 0.00 61.98 60.04 1xi2 s VAL 108 Cb 0.00 -3.72 -0.02 0.00 0.56 0.00 0.00 36.38 33.20 1xi2 s VAL 108 CO 0.00 -0.29 1.30 -2.65 -0.31 0.00 0.00 175.10 173.16 1xi2 n PRO 109 N -0.84 1.26 -0.24 4.82 -0.02 -1.26 -4.64 135.00 134.08 1xi2 n PRO 109 Ca -0.02 0.48 0.19 0.00 -2.02 0.00 0.00 63.50 62.14 1xi2 n PRO 109 Cb 0.54 -2.53 0.51 0.00 -0.02 0.00 0.00 33.50 31.99 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 0.77 2.20 -0.57 3.55 0.00 -1.96 0.05 119.26 123.30 1xi2 h ALA 110 Ca -0.51 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1xi2 h ALA 110 Cb 1.33 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1xi2 h ALA 110 CO 0.54 -0.49 0.19 0.97 0.00 0.00 0.00 179.25 180.45 1xi2 h ILE 111 N 0.41 1.22 0.03 0.00 6.09 -1.94 0.23 117.51 123.54 1xi2 h ILE 111 Ca 0.47 -0.74 -0.22 0.00 -1.37 0.00 0.00 64.86 63.00 1xi2 h ILE 111 Cb 1.17 0.58 -0.01 0.00 0.47 0.00 0.00 36.82 39.04 1xi2 h ILE 111 CO -0.18 0.28 -0.99 0.25 -3.07 0.00 0.00 178.15 174.45 1xi2 h LEU 112 N 0.83 0.32 -1.20 2.19 5.85 -1.39 -2.78 115.31 119.13 1xi2 h LEU 112 Ca 0.19 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1xi2 h LEU 112 Cb 0.23 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1xi2 h LEU 112 CO -0.01 1.13 0.16 0.50 -0.34 0.00 0.00 178.44 179.88 1xi2 h LYS 113 N 0.11 0.72 -0.37 1.25 1.63 -0.64 -1.58 116.57 117.69 1xi2 h LYS 113 Ca -0.07 -0.12 -0.08 0.00 -0.85 0.00 0.00 60.65 59.54 1xi2 h LYS 113 Cb 1.66 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 33.15 1xi2 h LYS 113 CO 0.16 0.62 -0.10 0.78 -3.45 0.00 0.00 179.45 177.46 1xi2 h GLY 114 N 0.88 0.69 0.95 5.01 0.00 -0.83 0.36 103.07 110.12 1xi2 h GLY 114 Ca 0.17 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1xi2 h GLY 114 CO -0.01 0.45 0.18 -0.25 0.00 0.00 0.00 176.54 176.91 1xi2 h TRP 115 N 0.59 0.51 -0.16 5.60 7.01 -1.04 -0.45 115.95 128.01 1xi2 h TRP 115 Ca 0.11 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1xi2 h TRP 115 Cb 0.51 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 1xi2 h TRP 115 CO 0.02 0.42 0.07 0.52 -2.79 0.00 0.00 178.44 176.69 1xi2 h MET 116 N 0.45 0.23 -0.57 2.65 2.86 -0.83 0.59 114.93 120.31 1xi2 h MET 116 Ca 0.12 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1xi2 h MET 116 Cb 0.10 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 1xi2 h MET 116 CO -0.02 0.28 0.34 -0.44 1.06 0.00 0.00 176.91 178.13 1xi2 h ASP 117 N 0.11 0.54 0.49 1.22 3.32 -0.75 -2.79 116.42 118.57 1xi2 h ASP 117 Ca 0.05 0.01 -0.29 0.00 0.02 0.00 0.00 57.03 56.82 1xi2 h ASP 117 Cb 0.14 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1xi2 h ASP 117 CO -0.01 0.38 -1.68 0.03 -1.72 0.00 0.00 179.24 176.24 1xi2 h ARG 118 N 0.66 0.04 0.21 3.56 3.08 -1.02 -3.40 114.38 117.51 1xi2 h ARG 118 Ca 0.23 -0.07 -0.34 0.00 0.07 0.00 0.00 59.98 59.87 1xi2 h ARG 118 Cb 0.04 0.03 0.02 0.00 0.08 0.00 0.00 29.97 30.14 1xi2 h ARG 118 CO -0.11 0.64 -1.58 0.28 -1.07 0.00 0.00 179.97 178.14 1xi2 h VAL 119 N 0.01 1.15 -0.62 2.04 2.07 -0.95 -3.39 116.25 116.57 1xi2 h VAL 119 Ca -0.28 -2.67 -0.71 0.00 0.82 0.00 0.00 66.70 63.86 1xi2 h VAL 119 Cb 2.00 2.91 -0.06 0.00 -1.52 0.00 0.00 31.29 34.62 1xi2 h VAL 119 CO 0.09 0.84 3.02 0.18 0.02 0.00 0.00 177.57 181.71 1xi2 n LEU 120 N -3.63 8.13 -4.91 2.57 4.77 -1.05 -4.80 117.00 118.07 1xi2 n LEU 120 Ca -0.19 -4.60 -0.27 0.00 -0.03 0.00 0.00 56.01 50.91 1xi2 n LEU 120 Cb 1.08 -1.48 0.05 0.00 -2.33 0.00 0.00 43.42 40.75 1xi2 n LEU 120 CO 0.56 1.93 0.61 0.00 -1.33 0.00 0.00 177.39 179.16 1xi2 s GLN 122 N -5.16 4.25 0.00 0.00 0.74 -1.26 -1.39 119.66 116.84 1xi2 s GLN 122 Ca 0.57 2.18 0.00 0.00 0.05 0.00 0.00 55.36 58.16 1xi2 s GLN 122 Cb -0.11 -2.98 0.00 0.00 1.10 0.00 0.00 33.01 31.02 1xi2 s GLN 122 CO 0.47 -0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.35 1xi2 n GLY 123 N 0.76 2.99 0.10 2.59 0.00 0.82 -4.46 105.19 108.00 1xi2 n GLY 123 Ca 0.01 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 0.08 -0.01 1.61 7.35 -0.86 -4.78 117.46 120.85 1xi2 n PHE 124 Ca 0.00 0.03 -0.00 0.00 -0.76 0.00 0.00 57.45 56.72 1xi2 n PHE 124 Cb 0.00 -0.63 -0.12 0.00 0.35 0.00 0.00 39.48 39.08 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 -4.35 2.01 -3.44 3.13 0.00 -0.49 -4.64 120.51 112.74 1xi2 n ALA 125 Ca -0.22 -0.74 -0.10 0.00 0.00 0.00 0.00 53.44 52.38 1xi2 n ALA 125 Cb 0.58 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.94 -0.22 0.19 0.00 -0.71 -1.25 -1.88 117.98 111.16 1xi2 s PHE 126 Ca -0.06 -0.11 0.00 0.00 -1.04 0.00 0.00 56.93 55.72 1xi2 s PHE 126 Cb 0.09 0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 42.35 1xi2 s PHE 126 CO 0.84 -0.97 0.06 -0.51 -1.34 0.00 0.00 175.22 173.30 1xi2 s ASP 127 N -2.86 0.81 -0.33 1.98 1.01 -0.39 -0.12 116.67 116.76 1xi2 s ASP 127 Ca 0.08 -1.27 0.02 0.00 0.71 0.00 0.00 52.55 52.09 1xi2 s ASP 127 Cb -0.02 0.22 0.10 0.00 1.01 0.00 0.00 42.92 44.23 1xi2 s ASP 127 CO -0.03 -0.69 0.08 -0.63 0.21 0.00 0.00 175.17 174.11 1xi2 s ILE 128 N -3.86 1.58 0.81 0.77 1.01 -1.26 -1.47 121.20 118.78 1xi2 s ILE 128 Ca 0.30 -1.92 -0.11 0.00 0.00 0.00 0.00 60.65 58.91 1xi2 s ILE 128 Cb 0.07 -2.18 0.08 0.00 0.01 0.00 0.00 42.46 40.44 1xi2 s ILE 128 CO 0.07 -0.65 1.10 -2.16 0.00 0.00 0.00 174.94 173.29 1xi2 s PRO 129 N 1.20 1.99 0.00 2.79 0.04 -1.26 -5.14 135.00 134.62 1xi2 s PRO 129 Ca 0.11 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1xi2 s PRO 129 Cb -0.18 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1xi2 s PRO 129 CO -0.16 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 175.59 1xi2 n GLY 130 N -1.95 0.22 3.26 0.56 0.00 -0.54 -5.10 105.19 101.65 1xi2 n GLY 130 Ca 0.07 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 1xi2 n GLY 130 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xi2 s PHE 131 N 0.00 1.37 0.00 1.61 -0.71 -1.23 -1.26 117.98 117.76 1xi2 s PHE 131 Ca 0.00 -1.47 0.00 0.00 -1.04 0.00 0.00 56.93 54.42 1xi2 s PHE 131 Cb 0.00 -0.57 0.00 0.00 -1.21 0.00 0.00 43.02 41.24 1xi2 s PHE 131 CO 0.00 -0.77 0.00 0.66 -1.34 0.00 0.00 175.22 173.77 1xi2 n TYR 132 N -0.43 0.00 0.17 3.49 4.01 0.16 -1.09 117.16 123.47 1xi2 n TYR 132 Ca 0.04 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.85 1xi2 n TYR 132 Cb 0.64 0.00 0.37 0.00 -0.31 0.00 0.00 39.34 40.04 1xi2 n TYR 132 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1xi2 n ASP 133 N 5.61 0.35 -0.97 7.72 8.00 -1.26 -0.57 116.55 135.43 1xi2 n ASP 133 Ca 0.00 0.64 0.08 0.00 0.71 0.00 0.00 54.79 56.22 1xi2 n ASP 133 Cb 0.00 -0.70 0.24 0.00 -0.02 0.00 0.00 41.12 40.65 1xi2 n ASP 133 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1xi2 n SER 134 N -1.95 3.75 -4.67 -2.24 7.64 -0.25 -4.96 113.62 110.93 1xi2 n SER 134 Ca -0.00 -2.51 -0.34 0.00 1.01 0.00 0.00 58.87 57.02 1xi2 n SER 134 Cb 0.06 -0.44 0.11 0.00 -1.01 0.00 0.00 64.21 62.94 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 0.25 -0.07 0.13 0.23 0.00 0.26 -3.47 105.19 102.53 1xi2 n GLY 135 Ca 0.19 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1xi2 n GLY 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xi2 n LEU 136 N -2.73 0.75 -1.94 0.99 4.77 -0.79 -2.70 117.00 115.35 1xi2 n LEU 136 Ca 0.14 0.65 -0.03 0.00 -0.03 0.00 0.00 56.01 56.74 1xi2 n LEU 136 Cb 0.50 -0.50 0.32 0.00 -2.33 0.00 0.00 43.42 41.42 1xi2 n LEU 136 CO 0.48 -0.46 0.97 0.18 -1.33 0.00 0.00 177.39 177.24 1xi2 n LEU 137 N -2.29 5.87 -4.74 2.23 4.77 0.31 -4.97 117.00 118.20 1xi2 n LEU 137 Ca 0.03 -3.03 -0.37 0.00 -0.03 0.00 0.00 56.01 52.61 1xi2 n LEU 137 Cb 0.30 -0.73 0.06 0.00 -2.33 0.00 0.00 43.42 40.72 1xi2 n LEU 137 CO 0.23 0.74 0.91 0.00 -1.33 0.00 0.00 177.39 177.94 1xi2 s GLN 138 N -2.83 2.71 0.00 3.23 -2.07 -1.10 -2.28 119.66 117.32 1xi2 s GLN 138 Ca 0.53 2.06 0.00 0.00 -1.82 0.00 0.00 55.36 56.13 1xi2 s GLN 138 Cb 0.42 -1.92 0.00 0.00 -1.09 0.00 0.00 33.01 30.41 1xi2 s GLN 138 CO 0.14 -1.48 0.00 0.41 -1.32 0.00 0.00 175.29 173.04 1xi2 n GLY 139 N 0.82 1.76 3.91 2.60 0.00 -1.26 -5.00 105.19 108.02 1xi2 n GLY 139 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.72 3.33 0.07 1.61 1.02 -0.96 -5.00 119.74 119.08 1xi2 s LYS 140 Ca 0.00 -0.64 0.05 0.00 0.02 0.00 0.00 55.97 55.40 1xi2 s LYS 140 Cb 0.00 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1xi2 s LYS 140 CO 0.00 0.52 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.38 1xi2 s LEU 141 N -3.14 3.21 0.04 3.17 1.43 -0.28 -1.32 118.68 121.79 1xi2 s LEU 141 Ca 0.34 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 1xi2 s LEU 141 Cb -0.11 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1xi2 s LEU 141 CO 0.27 0.21 -0.09 0.00 0.23 0.00 0.00 176.35 176.97 1xi2 s ALA 142 N -1.18 0.70 -0.11 4.21 0.00 -0.52 -0.81 121.76 124.05 1xi2 s ALA 142 Ca 0.21 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.37 1xi2 s ALA 142 Cb -0.11 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.04 1xi2 s ALA 142 CO 0.13 0.04 0.26 -1.17 0.00 0.00 0.00 175.76 175.03 1xi2 s LEU 143 N -1.41 0.42 -0.26 0.00 0.20 -0.33 -0.84 118.68 116.46 1xi2 s LEU 143 Ca -0.06 0.55 -0.13 0.00 0.69 0.00 0.00 54.13 55.18 1xi2 s LEU 143 Cb -0.09 0.80 -0.04 0.00 -0.43 0.00 0.00 46.19 46.43 1xi2 s LEU 143 CO 0.01 -0.16 0.28 -0.76 -0.29 0.00 0.00 176.35 175.43 1xi2 s LEU 144 N 1.17 4.05 -0.38 -0.68 1.43 -1.26 -0.95 118.68 122.06 1xi2 s LEU 144 Ca -0.08 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1xi2 s LEU 144 Cb -0.09 -2.28 0.09 0.00 0.03 0.00 0.00 46.19 43.93 1xi2 s LEU 144 CO -0.08 -0.10 0.16 -0.55 0.23 0.00 0.00 176.35 176.01 1xi2 s SER 145 N 1.57 5.26 0.08 2.29 0.15 0.68 -0.59 113.70 123.13 1xi2 s SER 145 Ca 0.11 -1.69 0.06 0.00 0.70 0.00 0.00 55.95 55.13 1xi2 s SER 145 Cb -0.16 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.28 1xi2 s SER 145 CO 0.10 -0.46 -0.11 -0.69 1.20 0.00 0.00 173.24 173.27 1xi2 s VAL 146 N 1.24 3.33 0.16 4.45 1.01 0.52 -1.87 120.40 129.24 1xi2 s VAL 146 Ca 0.03 -1.16 0.10 0.00 0.00 0.00 0.00 61.98 60.95 1xi2 s VAL 146 Cb -0.22 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1xi2 s VAL 146 CO -0.02 0.20 -0.24 0.42 0.00 0.00 0.00 175.10 175.47 1xi2 s THR 147 N -1.13 2.15 0.22 3.92 -4.23 -0.95 -0.22 115.64 115.40 1xi2 s THR 147 Ca 0.19 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 58.86 1xi2 s THR 147 Cb -0.11 -1.96 -0.05 0.00 1.34 0.00 0.00 72.50 71.72 1xi2 s THR 147 CO 0.11 -0.07 0.07 0.42 -0.54 0.00 0.00 174.62 174.61 1xi2 s THR 148 N -1.46 0.50 -0.15 3.99 -4.23 -1.05 -0.52 115.64 112.72 1xi2 s THR 148 Ca 0.16 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.61 1xi2 s THR 148 Cb -0.09 -2.44 -0.24 0.00 1.34 0.00 0.00 72.50 71.07 1xi2 s THR 148 CO 0.07 -0.16 0.23 0.61 -0.54 0.00 0.00 174.62 174.84 1xi2 n GLY 149 N -0.36 -0.54 3.80 3.99 0.00 -1.26 -2.27 105.19 108.54 1xi2 n GLY 149 Ca -0.02 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 -5.69 2.03 0.68 -0.02 0.00 -1.26 -4.37 107.32 98.69 1xi2 s GLY 150 Ca -0.25 0.35 -0.08 0.00 0.00 0.00 0.00 44.72 44.74 1xi2 s GLY 150 CO 0.72 0.67 1.01 -0.51 0.00 0.00 0.00 173.10 174.99 1xi2 s THR 151 N -2.56 2.85 0.22 0.90 -4.23 -1.26 -2.89 115.64 108.66 1xi2 s THR 151 Ca 0.63 -0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 61.00 1xi2 s THR 151 Cb -0.16 -3.21 0.17 0.00 1.34 0.00 0.00 72.50 70.64 1xi2 s THR 151 CO 0.41 -0.23 1.84 0.00 -0.54 0.00 0.00 174.62 176.10 1xi2 h ALA 152 N -0.52 1.00 -0.83 3.99 0.00 -1.93 -2.30 119.26 118.67 1xi2 h ALA 152 Ca -0.45 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.54 1xi2 h ALA 152 Cb 1.29 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1xi2 h ALA 152 CO 0.61 0.19 0.49 0.93 0.00 0.00 0.00 179.25 181.47 1xi2 h GLU 153 N 0.84 0.82 0.00 0.00 4.39 -2.00 -0.31 114.58 118.33 1xi2 h GLU 153 Ca 0.32 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.92 1xi2 h GLU 153 Cb 0.12 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1xi2 h GLU 153 CO -0.15 0.55 -0.24 0.52 -1.16 0.00 0.00 179.01 178.52 1xi2 h MET 154 N 0.85 0.00 -2.04 2.33 2.86 -1.80 -3.15 114.93 113.97 1xi2 h MET 154 Ca 0.38 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 57.35 1xi2 h MET 154 Cb 0.28 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 31.71 1xi2 h MET 154 CO -0.22 0.24 0.88 0.66 1.06 0.00 0.00 176.91 179.53 1xi2 n TYR 155 N -3.98 2.46 -4.41 -0.22 4.01 -0.13 -1.62 117.16 113.27 1xi2 n TYR 155 Ca -0.02 -2.22 -0.21 0.00 -0.16 0.00 0.00 57.90 55.30 1xi2 n TYR 155 Cb 0.32 -1.28 -0.10 0.00 -0.31 0.00 0.00 39.34 37.96 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 -3.87 1.51 0.20 -0.72 -4.23 -0.90 -1.83 115.64 105.79 1xi2 s THR 156 Ca 0.54 -2.10 -0.15 0.00 -1.18 0.00 0.00 61.69 58.80 1xi2 s THR 156 Cb 0.39 -2.46 0.19 0.00 1.34 0.00 0.00 72.50 71.97 1xi2 s THR 156 CO -0.32 -0.28 1.63 0.11 -0.54 0.00 0.00 174.62 175.22 1xi2 h LYS 157 N 2.30 -0.01 -0.02 3.99 1.57 -1.91 0.33 116.57 122.82 1xi2 h LYS 157 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1xi2 h LYS 157 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1xi2 h LYS 157 CO 0.67 -0.01 0.00 0.25 -0.57 0.00 0.00 179.45 179.79 1xi2 n THR 158 N -5.40 0.02 -1.76 -0.16 -2.24 -1.26 -4.56 114.28 98.92 1xi2 n THR 158 Ca 0.06 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.44 1xi2 n THR 158 Cb 0.30 -0.11 0.06 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.90 1.63 0.47 3.38 0.00 0.11 -4.96 107.32 106.06 1xi2 s GLY 159 Ca 0.41 -0.25 0.24 0.00 0.00 0.00 0.00 44.72 45.12 1xi2 s GLY 159 CO 0.33 0.12 1.95 -0.24 0.00 0.00 0.00 173.10 175.26 1xi2 h VAL 160 N -0.78 0.65 0.00 1.40 3.04 -1.80 -2.71 116.25 116.05 1xi2 h VAL 160 Ca -0.45 -0.84 0.00 0.00 -1.01 0.00 0.00 66.70 64.39 1xi2 h VAL 160 Cb 1.25 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 32.07 1xi2 h VAL 160 CO 0.62 0.19 -0.79 0.59 -1.01 0.00 0.00 177.57 177.17 1xi2 n ASN 161 N -3.60 0.66 0.00 3.17 5.03 -0.64 -5.08 115.26 114.80 1xi2 n ASN 161 Ca -0.01 -0.42 0.00 0.00 0.87 0.00 0.00 54.58 55.02 1xi2 n ASN 161 Cb 0.33 0.60 0.00 0.00 -1.02 0.00 0.00 39.78 39.69 1xi2 n ASN 161 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xi2 n GLY 162 N 1.46 -1.11 3.76 7.41 0.00 -1.02 -4.89 105.19 110.80 1xi2 n GLY 162 Ca 0.04 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.06 6.03 0.44 1.61 2.15 -1.06 -2.12 116.67 120.66 1xi2 s ASP 163 Ca 0.00 2.52 0.14 0.00 0.43 0.00 0.00 52.55 55.64 1xi2 s ASP 163 Cb 0.00 -2.62 1.03 0.00 -0.30 0.00 0.00 42.92 41.03 1xi2 s ASP 163 CO 0.00 -1.03 1.98 0.77 -0.17 0.00 0.00 175.17 176.72 1xi2 h SER 164 N 2.15 0.36 0.25 -0.34 4.64 -1.69 -0.92 113.55 118.00 1xi2 h SER 164 Ca -0.50 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 1xi2 h SER 164 Cb 1.26 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1xi2 h SER 164 CO 0.60 0.22 -0.08 0.03 -0.87 0.00 0.00 176.83 176.73 1xi2 h ARG 165 N 0.40 0.00 -0.27 4.77 3.08 -1.88 -2.92 114.38 117.56 1xi2 h ARG 165 Ca 0.27 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.34 1xi2 h ARG 165 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1xi2 h ARG 165 CO -0.07 0.08 0.13 1.88 -1.07 0.00 0.00 179.97 180.91 1xi2 h TYR 166 N 0.00 0.24 0.00 3.04 0.05 -1.32 -2.30 116.97 116.67 1xi2 h TYR 166 Ca -0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1xi2 h TYR 166 Cb 0.23 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1xi2 h TYR 166 CO 0.00 0.13 0.00 1.97 -1.05 0.00 0.00 178.16 179.21 1xi2 n PHE 167 N -4.98 0.00 0.21 4.88 1.16 -1.10 -2.88 117.46 114.74 1xi2 n PHE 167 Ca -0.01 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.68 1xi2 n PHE 167 Cb 0.07 -0.43 0.16 0.00 -1.61 0.00 0.00 39.48 37.67 1xi2 n PHE 167 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1xi2 h LEU 168 N 0.00 0.00 -0.39 5.98 3.38 -1.45 -3.38 115.31 119.45 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 0.34 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 1xi2 h LEU 168 CO 0.00 0.03 -0.29 -0.25 0.09 0.00 0.00 178.44 178.02 1xi2 h TRP 169 N 0.00 -0.78 -0.33 1.13 2.91 -1.52 0.23 115.95 117.59 1xi2 h TRP 169 Ca -0.00 0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.06 1xi2 h TRP 169 Cb 1.02 0.40 -0.02 0.00 -0.51 0.00 0.00 29.16 30.06 1xi2 h TRP 169 CO 0.00 -0.36 0.14 -1.35 -1.03 0.00 0.00 178.44 175.84 1xi2 h PRO 170 N -0.22 0.46 0.00 2.65 0.11 -1.83 -1.13 132.00 132.03 1xi2 h PRO 170 Ca 0.18 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1xi2 h PRO 170 Cb 0.51 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 1xi2 h PRO 170 CO -0.51 0.38 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.49 1xi2 h LEU 171 N 0.46 0.00 -0.09 2.35 3.38 -1.62 -2.10 115.31 117.69 1xi2 h LEU 171 Ca 0.12 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1xi2 h LEU 171 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1xi2 h LEU 171 CO -0.01 0.73 -0.06 1.56 0.09 0.00 0.00 178.44 180.75 1xi2 h GLN 172 N -1.00 0.20 0.00 1.13 4.20 -0.63 -1.28 115.11 117.73 1xi2 h GLN 172 Ca -0.02 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1xi2 h GLN 172 Cb 0.42 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1xi2 h GLN 172 CO -0.01 0.58 -0.42 1.25 -0.67 0.00 0.00 178.83 179.56 1xi2 h HIS 173 N -0.18 0.00 0.00 2.96 2.76 -1.39 0.15 115.15 119.45 1xi2 h HIS 173 Ca 0.02 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1xi2 h HIS 173 Cb 0.53 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.48 1xi2 h HIS 173 CO 0.07 0.21 -0.05 0.78 -1.30 0.00 0.00 177.93 177.65 1xi2 h GLY 174 N -1.00 0.00 0.00 5.26 0.00 -1.23 -2.39 103.07 103.71 1xi2 h GLY 174 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1xi2 h GLY 174 CO -0.02 0.00 -0.12 2.41 0.00 0.00 0.00 176.54 178.81 1xi2 n THR 175 N -3.82 0.44 0.23 4.70 -1.04 -0.80 -4.50 114.28 109.50 1xi2 n THR 175 Ca -0.03 0.22 -0.15 0.00 -2.04 0.00 0.00 64.05 62.06 1xi2 n THR 175 Cb 0.14 -1.40 -0.08 0.00 -1.82 0.00 0.00 70.33 67.16 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 -0.12 -0.48 -0.82 -4.42 3.38 -1.23 -2.12 115.31 109.50 1xi2 h LEU 176 Ca 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1xi2 h LEU 176 Cb 0.12 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1xi2 h LEU 176 CO 0.00 -0.25 0.45 -0.74 0.09 0.00 0.00 178.44 178.00 1xi2 h HIS 177 N -0.69 1.12 -0.84 1.13 2.76 -0.74 -1.72 115.15 116.17 1xi2 h HIS 177 Ca -0.06 -0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.22 1xi2 h HIS 177 Cb 0.50 -0.36 -0.06 0.00 1.55 0.00 0.00 27.41 29.04 1xi2 h HIS 177 CO -0.02 0.78 0.54 0.35 -1.30 0.00 0.00 177.93 178.28 1xi2 h PHE 178 N 1.13 0.74 -0.10 5.26 3.57 -1.31 0.85 116.94 127.09 1xi2 h PHE 178 Ca 0.29 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1xi2 h PHE 178 Cb 0.03 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.53 1xi2 h PHE 178 CO 0.00 0.30 0.00 0.00 -2.23 0.00 0.00 178.31 176.38 1xi2 n GLY 180 N 0.98 0.40 3.75 0.00 0.00 0.29 -0.53 105.19 110.08 1xi2 n GLY 180 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 2.37 -0.09 1.61 0.08 -0.73 -3.55 117.98 115.53 1xi2 s PHE 181 Ca 0.00 1.47 -0.13 0.00 0.12 0.00 0.00 56.93 58.40 1xi2 s PHE 181 Cb 0.00 -3.59 -0.05 0.00 -0.57 0.00 0.00 43.02 38.81 1xi2 s PHE 181 CO 0.00 -2.43 0.30 0.15 -0.10 0.00 0.00 175.22 173.14 1xi2 s LYS 182 N -3.14 3.92 -0.23 0.44 1.02 -0.43 -4.27 119.74 117.04 1xi2 s LYS 182 Ca 0.75 0.17 -0.07 0.00 0.02 0.00 0.00 55.97 56.83 1xi2 s LYS 182 Cb -0.34 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.65 1xi2 s LYS 182 CO 0.38 0.55 0.07 0.08 -0.92 0.00 0.00 175.35 175.51 1xi2 s VAL 183 N -0.50 4.45 0.57 3.17 1.01 -1.26 -1.44 120.40 126.40 1xi2 s VAL 183 Ca 0.19 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 1xi2 s VAL 183 Cb -0.14 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1xi2 s VAL 183 CO 0.08 0.37 0.95 -0.76 0.00 0.00 0.00 175.10 175.74 1xi2 s LEU 184 N 1.30 3.38 0.30 3.92 1.43 -0.02 -0.29 118.68 128.70 1xi2 s LEU 184 Ca 0.05 1.29 -0.29 0.00 -1.03 0.00 0.00 54.13 54.15 1xi2 s LEU 184 Cb -0.15 -4.30 -0.13 0.00 0.03 0.00 0.00 46.19 41.64 1xi2 s LEU 184 CO 0.04 -0.76 1.33 0.00 0.23 0.00 0.00 176.35 177.19 1xi2 n ALA 185 N -2.48 1.20 -1.60 4.21 0.00 -1.26 -4.66 120.51 115.91 1xi2 n ALA 185 Ca 0.04 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.52 1xi2 n ALA 185 Cb 0.54 -2.26 0.04 0.00 0.00 0.00 0.00 19.45 17.78 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 -1.22 2.85 -0.32 0.00 0.04 -1.26 -4.71 135.00 130.37 1xi2 s PRO 186 Ca 0.61 1.62 -0.06 0.00 0.04 0.00 0.00 61.00 63.21 1xi2 s PRO 186 Cb -0.60 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.03 1xi2 s PRO 186 CO 0.57 -1.25 0.08 -1.14 0.04 0.00 0.00 177.00 175.29 1xi2 s GLN 187 N -3.67 2.73 -0.27 4.56 2.00 0.24 -5.00 119.66 120.25 1xi2 s GLN 187 Ca 0.72 -1.10 -0.02 0.00 -2.00 0.00 0.00 55.36 52.96 1xi2 s GLN 187 Cb -0.25 -3.39 0.03 0.00 0.80 0.00 0.00 33.01 30.20 1xi2 s GLN 187 CO 0.37 -0.59 -0.03 0.42 -0.50 0.00 0.00 175.29 174.95 1xi2 s ILE 188 N 1.41 3.01 -0.54 -2.34 -1.09 -1.26 -0.35 121.20 120.04 1xi2 s ILE 188 Ca -0.01 -1.08 -0.17 0.00 -2.23 0.00 0.00 60.65 57.16 1xi2 s ILE 188 Cb -0.19 -2.59 0.10 0.00 -1.58 0.00 0.00 42.46 38.21 1xi2 s ILE 188 CO 0.02 0.11 0.56 -0.44 -1.23 0.00 0.00 174.94 173.96 1xi2 s SER 189 N 1.32 6.18 0.18 3.58 0.01 0.70 -5.00 113.70 120.68 1xi2 s SER 189 Ca -0.01 -1.50 -0.30 0.00 1.31 0.00 0.00 55.95 55.45 1xi2 s SER 189 Cb -0.17 -2.24 -0.08 0.00 0.21 0.00 0.00 66.02 63.74 1xi2 s SER 189 CO -0.03 -0.91 1.04 -0.36 0.41 0.00 0.00 173.24 173.40 1xi2 s PHE 190 N 2.07 3.70 -0.79 2.43 0.08 -1.26 -2.52 117.98 121.69 1xi2 s PHE 190 Ca 0.07 1.70 -0.21 0.00 0.12 0.00 0.00 56.93 58.62 1xi2 s PHE 190 Cb -0.26 -3.18 0.03 0.00 -0.57 0.00 0.00 43.02 39.04 1xi2 s PHE 190 CO 0.06 -0.25 0.46 0.00 -0.10 0.00 0.00 175.22 175.39 1xi2 n ALA 191 N 2.24 -2.13 0.24 5.36 0.00 -0.96 -4.86 120.51 120.40 1xi2 n ALA 191 Ca 0.02 -0.38 0.08 0.00 0.00 0.00 0.00 53.44 53.16 1xi2 n ALA 191 Cb 0.47 -1.56 0.58 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.71 0.00 -0.43 0.00 0.13 -1.79 -1.68 132.00 127.52 1xi2 h PRO 192 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 1xi2 h PRO 192 Cb 0.96 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.08 1xi2 h PRO 192 CO 0.34 0.19 -0.06 0.93 -0.23 0.00 0.00 178.00 179.17 1xi2 h GLU 193 N 0.00 0.74 0.03 0.86 5.08 -1.89 -3.01 114.58 116.39 1xi2 h GLU 193 Ca -0.00 -0.22 -0.26 0.00 -1.00 0.00 0.00 59.36 57.88 1xi2 h GLU 193 Cb 0.40 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1xi2 h GLU 193 CO 0.02 0.79 -1.33 0.82 -1.00 0.00 0.00 179.01 178.32 1xi2 h ILE 194 N 0.68 1.33 -4.21 3.13 1.08 -1.83 -3.47 117.51 114.22 1xi2 h ILE 194 Ca 0.13 -3.07 -0.53 0.00 -0.39 0.00 0.00 64.86 61.00 1xi2 h ILE 194 Cb 0.51 2.70 0.20 0.00 -3.07 0.00 0.00 36.82 37.15 1xi2 h ILE 194 CO 0.03 0.79 0.23 0.00 -0.69 0.00 0.00 178.15 178.50 1xi2 n ALA 195 N -2.48 -0.63 -1.94 1.87 0.00 -0.66 -5.02 120.51 111.65 1xi2 n ALA 195 Ca -0.09 -0.49 -0.26 0.00 0.00 0.00 0.00 53.44 52.61 1xi2 n ALA 195 Cb 1.00 -2.20 0.09 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.44 4.48 0.18 0.00 1.04 -1.26 -4.83 113.70 110.86 1xi2 s SER 196 Ca 0.69 0.32 -0.14 0.00 0.48 0.00 0.00 55.95 57.30 1xi2 s SER 196 Cb -0.25 -0.84 0.15 0.00 0.10 0.00 0.00 66.02 65.18 1xi2 s SER 196 CO 0.56 -1.82 1.75 -0.08 0.98 0.00 0.00 173.24 174.63 1xi2 h GLU 197 N -0.76 0.33 -0.39 4.02 4.57 -1.95 0.01 114.58 120.41 1xi2 h GLU 197 Ca -0.43 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 1xi2 h GLU 197 Cb 1.30 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 1xi2 h GLU 197 CO 0.54 0.22 0.20 0.93 -1.18 0.00 0.00 179.01 179.72 1xi2 h GLU 198 N 0.34 0.56 -0.70 1.92 3.07 -1.99 -1.29 114.58 116.49 1xi2 h GLU 198 Ca 0.22 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.97 1xi2 h GLU 198 Cb 0.23 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.00 1xi2 h GLU 198 CO -0.23 0.48 0.30 0.93 -1.40 0.00 0.00 179.01 179.09 1xi2 h GLU 199 N 0.49 1.02 -0.26 2.33 5.08 -1.80 -0.65 114.58 120.79 1xi2 h GLU 199 Ca 0.14 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1xi2 h GLU 199 Cb 0.10 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1xi2 h GLU 199 CO -0.02 0.82 -0.07 0.00 -1.00 0.00 0.00 179.01 178.73 1xi2 h ARG 200 N 1.01 0.52 -0.27 2.33 3.08 -0.73 -1.42 114.38 118.89 1xi2 h ARG 200 Ca 0.24 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1xi2 h ARG 200 Cb 0.16 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1xi2 h ARG 200 CO -0.02 0.74 0.01 0.87 -1.07 0.00 0.00 179.97 180.49 1xi2 h LYS 201 N 0.27 0.41 -0.42 0.04 1.57 -1.03 -2.08 116.57 115.32 1xi2 h LYS 201 Ca 0.07 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1xi2 h LYS 201 Cb 0.55 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1xi2 h LYS 201 CO 0.03 0.43 -0.01 0.78 -0.57 0.00 0.00 179.45 180.11 1xi2 h GLY 202 N 0.71 0.81 1.45 3.86 0.00 -0.80 -0.86 103.07 108.23 1xi2 h GLY 202 Ca 0.09 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 1xi2 h GLY 202 CO 0.01 0.55 -0.02 -0.33 0.00 0.00 0.00 176.54 176.75 1xi2 h MET 203 N 0.58 0.67 -0.17 4.80 2.86 -0.77 -0.04 114.93 122.86 1xi2 h MET 203 Ca 0.12 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1xi2 h MET 203 Cb 0.49 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 1xi2 h MET 203 CO 0.02 0.70 -0.11 0.28 1.06 0.00 0.00 176.91 178.86 1xi2 h VAL 204 N 0.63 1.32 -0.27 -2.22 2.07 -1.22 -2.68 116.25 113.88 1xi2 h VAL 204 Ca 0.13 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1xi2 h VAL 204 Cb 0.42 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1xi2 h VAL 204 CO 0.02 0.36 -0.02 0.00 0.02 0.00 0.00 177.57 177.95 1xi2 h ALA 205 N 0.66 1.46 -0.58 1.67 0.00 -0.92 -1.73 119.26 119.81 1xi2 h ALA 205 Ca 0.03 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1xi2 h ALA 205 Cb 0.62 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1xi2 h ALA 205 CO 0.03 0.39 0.05 0.00 0.00 0.00 0.00 179.25 179.72 1xi2 h ALA 206 N 1.58 0.99 -0.03 0.00 0.00 -0.90 0.18 119.26 121.09 1xi2 h ALA 206 Ca 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xi2 h ALA 206 Cb 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xi2 h ALA 206 CO 0.01 0.63 -0.00 2.35 0.00 0.00 0.00 179.25 182.24 1xi2 h TRP 207 N 0.90 0.06 -0.70 0.00 -0.00 -1.08 -0.04 115.95 115.09 1xi2 h TRP 207 Ca 0.18 -0.01 0.01 0.00 -0.00 0.00 0.00 58.89 59.07 1xi2 h TRP 207 Cb 0.45 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.16 29.56 1xi2 h TRP 207 CO 0.03 0.36 0.46 0.66 -0.00 0.00 0.00 178.44 179.95 1xi2 h SER 208 N -0.27 0.78 -0.62 2.65 4.64 -1.16 -0.88 113.55 118.69 1xi2 h SER 208 Ca 0.01 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1xi2 h SER 208 Cb 0.34 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1xi2 h SER 208 CO 0.00 0.56 0.33 -0.61 -0.87 0.00 0.00 176.83 176.24 1xi2 h GLN 209 N 0.93 0.87 -0.78 4.77 4.15 -0.52 -2.51 115.11 122.01 1xi2 h GLN 209 Ca 0.26 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 1xi2 h GLN 209 Cb -0.07 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.41 1xi2 h GLN 209 CO -0.07 0.66 0.34 -0.09 -1.93 0.00 0.00 178.83 177.74 1xi2 h ARG 210 N 0.84 1.14 0.00 1.69 2.43 -0.47 -2.51 114.38 117.51 1xi2 h ARG 210 Ca 0.22 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1xi2 h ARG 210 Cb 0.05 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1xi2 h ARG 210 CO -0.03 0.91 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.25 1xi2 h LEU 211 N 1.11 0.00 -1.59 3.80 3.38 -0.75 -1.98 115.31 119.29 1xi2 h LEU 211 Ca 0.26 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.34 1xi2 h LEU 211 Cb 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1xi2 h LEU 211 CO -0.03 0.02 0.44 1.56 0.09 0.00 0.00 178.44 180.52 1xi2 h GLN 212 N 0.00 0.44 0.00 1.13 4.20 -1.18 -2.67 115.11 117.04 1xi2 h GLN 212 Ca -0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1xi2 h GLN 212 Cb 0.04 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1xi2 h GLN 212 CO 0.00 0.29 -0.20 0.25 -0.67 0.00 0.00 178.83 178.50 1xi2 n THR 213 N -4.48 1.95 -0.03 -0.54 -2.24 -0.78 -4.79 114.28 103.38 1xi2 n THR 213 Ca 0.11 -2.57 0.07 0.00 -2.27 0.00 0.00 64.05 59.40 1xi2 n THR 213 Cb 0.41 -0.21 0.46 0.00 -2.10 0.00 0.00 70.33 68.88 1xi2 n THR 213 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1xi2 h ILE 214 N 0.56 1.02 0.00 2.28 -0.00 -1.13 -1.82 117.51 118.42 1xi2 h ILE 214 Ca -0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 64.86 64.69 1xi2 h ILE 214 Cb 1.02 0.48 0.00 0.00 -0.00 0.00 0.00 36.82 38.32 1xi2 h ILE 214 CO 0.00 0.09 0.00 0.79 -0.00 0.00 0.00 178.15 179.03 1xi2 n TRP 215 N -4.48 0.00 1.01 2.19 7.02 -1.26 -2.22 117.44 119.71 1xi2 n TRP 215 Ca 0.06 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.65 1xi2 n TRP 215 Cb 0.18 -0.42 0.01 0.00 -2.42 0.00 0.00 31.31 28.66 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 -1.42 1.12 -2.35 -0.99 5.02 -0.69 -4.98 118.16 113.87 1xi2 n LYS 216 Ca 0.06 -0.91 -0.33 0.00 -2.02 0.00 0.00 58.31 55.11 1xi2 n LYS 216 Cb 0.19 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.70 1xi2 n LYS 216 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xi2 s GLU 217 N -2.51 3.66 0.08 1.97 2.02 -0.94 -5.07 118.70 117.91 1xi2 s GLU 217 Ca 0.18 1.23 0.02 0.00 0.02 0.00 0.00 54.97 56.42 1xi2 s GLU 217 Cb 0.18 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.29 1xi2 s GLU 217 CO 0.59 -0.53 0.15 -1.21 0.02 0.00 0.00 175.26 174.28 1xi2 s GLU 218 N -3.67 3.15 0.77 1.61 0.41 -1.26 -5.10 118.70 114.61 1xi2 s GLU 218 Ca 0.64 -0.60 -0.12 0.00 -0.41 0.00 0.00 54.97 54.49 1xi2 s GLU 218 Cb -0.15 -2.86 0.06 0.00 -1.78 0.00 0.00 34.13 29.39 1xi2 s GLU 218 CO 0.28 0.57 1.10 -1.25 -0.49 0.00 0.00 175.26 175.47 1xi2 s PRO 219 N -2.57 2.28 0.53 0.39 0.04 -1.26 -4.64 135.00 129.78 1xi2 s PRO 219 Ca 0.32 0.54 -0.05 0.00 0.04 0.00 0.00 61.00 61.85 1xi2 s PRO 219 Cb -0.12 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1xi2 s PRO 219 CO 0.25 -1.46 0.82 0.96 0.04 0.00 0.00 177.00 177.62 1xi2 s ILE 220 N -3.25 4.11 -0.71 0.56 -0.00 0.60 -4.96 121.20 117.55 1xi2 s ILE 220 Ca 0.60 -0.02 -0.27 0.00 -0.00 0.00 0.00 60.65 60.96 1xi2 s ILE 220 Cb -0.13 -3.59 0.03 0.00 -0.00 0.00 0.00 42.46 38.78 1xi2 s ILE 220 CO 0.53 -0.56 1.23 -2.84 -0.00 0.00 0.00 174.94 173.30 1xi2 s PRO 221 N -4.84 3.23 -1.16 0.37 0.02 -1.26 -4.65 135.00 126.71 1xi2 s PRO 221 Ca 0.51 -0.24 -0.20 0.00 0.02 0.00 0.00 61.00 61.10 1xi2 s PRO 221 Cb -0.10 -4.16 -0.04 0.00 0.02 0.00 0.00 34.50 30.21 1xi2 s PRO 221 CO 0.44 -2.04 1.94 0.00 -0.33 0.00 0.00 177.00 177.01 1xi2 s THR 223 N 6.12 1.33 0.27 0.00 -4.23 -1.26 -4.94 115.64 112.92 1xi2 s THR 223 Ca 0.57 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1xi2 s THR 223 Cb 0.08 -2.79 0.12 0.00 1.34 0.00 0.00 72.50 71.25 1xi2 s THR 223 CO 0.07 0.00 1.78 0.00 -0.54 0.00 0.00 174.62 175.93 1xi2 h ALA 224 N 1.99 1.14 -0.68 3.99 0.00 -1.97 -2.61 119.26 121.12 1xi2 h ALA 224 Ca -0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1xi2 h ALA 224 Cb 1.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1xi2 h ALA 224 CO 0.72 0.56 0.38 1.25 0.00 0.00 0.00 179.25 182.15 1xi2 h HIS 225 N 0.74 0.93 -0.50 0.00 -0.00 -1.93 0.42 115.15 114.82 1xi2 h HIS 225 Ca 0.15 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.49 1xi2 h HIS 225 Cb 0.42 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 1xi2 h HIS 225 CO 0.02 0.66 0.29 2.35 -0.00 0.00 0.00 177.93 181.26 1xi2 h TRP 226 N 0.93 0.66 0.01 5.26 7.01 -1.72 0.57 115.95 128.67 1xi2 h TRP 226 Ca 0.24 -0.01 -0.24 0.00 2.11 0.00 0.00 58.89 60.99 1xi2 h TRP 226 Cb 0.04 -0.22 0.01 0.00 -2.10 0.00 0.00 29.16 26.89 1xi2 h TRP 226 CO -0.01 0.47 -0.99 0.45 -2.79 0.00 0.00 178.44 175.57 1xi2 h HIS 227 N 0.66 0.78 0.00 2.65 3.86 -1.10 -3.40 115.15 118.60 1xi2 h HIS 227 Ca 0.18 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1xi2 h HIS 227 Cb 0.01 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1xi2 h HIS 227 CO -0.02 1.26 -0.30 1.19 0.86 0.00 0.00 177.93 180.91 1xi2 n PHE 228 N -3.78 0.00 -4.34 2.45 3.72 0.15 -4.16 117.46 111.49 1xi2 n PHE 228 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1xi2 n PHE 228 Cb 0.86 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 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 1.44 1.21 3.49 1.37 0.00 0.20 -4.99 105.19 107.91 1xi2 n GLY 229 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1xi2 n GLY 229 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14