#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg0 s GLY 2 N 0.00 1.75 0.04 0.00 0.00 -1.26 -5.13 107.32 102.73 1sg0 s GLY 2 Ca 0.00 -1.84 0.02 0.00 0.00 0.00 0.00 44.72 42.90 1sg0 s GLY 2 CO 0.00 -1.30 -0.07 0.54 0.00 0.00 0.00 173.10 172.27 1sg0 s LYS 3 N -5.02 0.49 -0.07 2.90 -0.14 -1.26 -5.07 119.74 111.57 1sg0 s LYS 3 Ca 0.65 -0.75 0.02 0.00 -1.36 0.00 0.00 55.97 54.53 1sg0 s LYS 3 Cb -0.05 -0.20 -0.02 0.00 -1.68 0.00 0.00 37.83 35.88 1sg0 s LYS 3 CO 0.43 0.02 -0.12 0.15 -0.76 0.00 0.00 175.35 175.08 1sg0 s LYS 4 N -1.66 2.79 -0.03 1.68 1.02 -1.26 -1.13 119.74 121.14 1sg0 s LYS 4 Ca -0.10 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 55.28 1sg0 s LYS 4 Cb -0.09 -2.51 -0.00 0.00 -0.52 0.00 0.00 37.83 34.71 1sg0 s LYS 4 CO -0.00 0.54 -0.15 0.08 -0.92 0.00 0.00 175.35 174.89 1sg0 s VAL 5 N -0.49 1.25 -0.15 3.17 1.01 0.92 -0.46 120.40 125.65 1sg0 s VAL 5 Ca 0.07 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1sg0 s VAL 5 Cb -0.12 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 1sg0 s VAL 5 CO 0.02 0.36 -0.16 -0.22 0.00 0.00 0.00 175.10 175.11 1sg0 s LEU 6 N -0.02 2.48 -0.26 3.92 2.96 -0.27 -1.20 118.68 126.28 1sg0 s LEU 6 Ca -0.01 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.38 1sg0 s LEU 6 Cb -0.10 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 45.04 1sg0 s LEU 6 CO 0.01 0.10 0.03 -0.63 -1.32 0.00 0.00 176.35 174.54 1sg0 s ILE 7 N 0.73 3.69 -0.42 6.68 1.01 0.25 -0.55 121.20 132.59 1sg0 s ILE 7 Ca -0.07 -0.64 -0.17 0.00 0.00 0.00 0.00 60.65 59.77 1sg0 s ILE 7 Cb -0.16 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.51 1sg0 s ILE 7 CO 0.01 0.21 0.43 -0.69 0.00 0.00 0.00 174.94 174.90 1sg0 s VAL 8 N 1.48 5.10 -0.16 2.92 1.01 0.67 -0.68 120.40 130.74 1sg0 s VAL 8 Ca 0.03 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.58 1sg0 s VAL 8 Cb -0.16 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1sg0 s VAL 8 CO 0.00 -0.43 0.01 -0.47 0.00 0.00 0.00 175.10 174.21 1sg0 s TYR 9 N 2.11 3.13 -0.54 5.22 5.04 -0.15 -1.20 117.35 130.95 1sg0 s TYR 9 Ca 0.12 -0.10 0.06 0.00 -2.44 0.00 0.00 57.07 54.70 1sg0 s TYR 9 Cb -0.17 -1.99 0.21 0.00 0.35 0.00 0.00 41.96 40.36 1sg0 s TYR 9 CO 0.13 0.09 0.53 0.00 -1.34 0.00 0.00 175.55 174.96 1sg0 n ALA 10 N 3.40 3.23 -3.14 3.97 0.00 -0.41 -1.83 120.51 125.74 1sg0 n ALA 10 Ca -0.17 -3.99 -0.13 0.00 0.00 0.00 0.00 53.44 49.15 1sg0 n ALA 10 Cb 0.52 -0.88 -0.11 0.00 0.00 0.00 0.00 19.45 18.98 1sg0 n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1sg0 s HIS 11 N -1.31 -0.24 -0.24 0.00 5.04 -1.26 -4.36 115.29 112.91 1sg0 s HIS 11 Ca 0.33 0.59 0.23 0.00 -1.54 0.00 0.00 55.06 54.67 1sg0 s HIS 11 Cb 0.08 0.08 0.52 0.00 0.04 0.00 0.00 32.58 33.30 1sg0 s HIS 11 CO -0.12 -0.16 1.66 1.96 -2.34 0.00 0.00 174.74 175.75 1sg0 h GLN 12 N 5.55 0.00 -4.93 2.88 7.50 -1.99 -3.44 115.11 120.67 1sg0 h GLN 12 Ca -0.26 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.22 1sg0 h GLN 12 Cb 1.19 0.00 -0.32 0.00 0.05 0.00 0.00 27.48 28.41 1sg0 h GLN 12 CO 0.36 0.12 -0.75 -2.00 -1.50 0.00 0.00 178.83 175.05 1sg0 s GLU 13 N -3.29 2.93 0.48 1.46 2.56 -1.26 -5.00 118.70 116.59 1sg0 s GLU 13 Ca 0.05 -0.91 0.16 0.00 0.00 0.00 0.00 54.97 54.26 1sg0 s GLU 13 Cb 0.07 -2.95 1.16 0.00 2.00 0.00 0.00 34.13 34.40 1sg0 s GLU 13 CO 0.66 -0.35 2.05 -1.35 -0.56 0.00 0.00 175.26 175.71 1sg0 h PRO 14 N 8.02 0.21 -0.04 4.30 0.11 -1.98 -1.40 132.00 141.22 1sg0 h PRO 14 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1sg0 h PRO 14 Cb 1.12 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1sg0 h PRO 14 CO 0.58 0.14 0.00 1.63 -0.21 0.00 0.00 178.00 180.14 1sg0 n LYS 15 N -4.48 1.29 -1.34 1.05 5.02 -1.26 -4.34 118.16 114.10 1sg0 n LYS 15 Ca 0.04 -0.43 -0.29 0.00 -2.02 0.00 0.00 58.31 55.62 1sg0 n LYS 15 Cb 0.27 -1.40 0.17 0.00 -0.02 0.00 0.00 35.03 34.05 1sg0 n LYS 15 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1sg0 s SER 16 N -1.74 2.82 0.23 4.39 1.04 -0.53 -4.83 113.70 115.08 1sg0 s SER 16 Ca 0.35 1.00 -0.05 0.00 0.48 0.00 0.00 55.95 57.73 1sg0 s SER 16 Cb 0.17 -1.58 0.22 0.00 0.10 0.00 0.00 66.02 64.94 1sg0 s SER 16 CO 0.28 -2.98 1.74 0.15 0.98 0.00 0.00 173.24 173.41 1sg0 h PHE 17 N -1.79 1.04 -0.69 5.02 3.57 -1.91 -0.86 116.94 121.32 1sg0 h PHE 17 Ca -0.52 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 60.81 1sg0 h PHE 17 Cb 1.33 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1sg0 h PHE 17 CO 0.04 0.88 0.29 -0.91 -2.23 0.00 0.00 178.31 176.38 1sg0 h ASN 18 N 0.93 0.94 -0.70 0.41 2.35 -1.92 -0.93 115.58 116.66 1sg0 h ASN 18 Ca 0.19 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1sg0 h ASN 18 Cb 0.40 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1sg0 h ASN 18 CO 0.01 0.84 0.39 1.23 -1.65 0.00 0.00 177.43 178.26 1sg0 h GLY 19 N 0.97 1.06 1.24 2.83 0.00 -1.59 -0.58 103.07 107.01 1sg0 h GLY 19 Ca 0.23 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 1sg0 h GLY 19 CO -0.02 0.45 -0.28 1.76 0.00 0.00 0.00 176.54 178.44 1sg0 h SER 20 N 1.00 0.88 -0.23 0.19 0.02 -0.57 -1.01 113.55 113.83 1sg0 h SER 20 Ca 0.25 -0.35 -0.11 0.00 -0.84 0.00 0.00 61.79 60.74 1sg0 h SER 20 Cb 0.02 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1sg0 h SER 20 CO -0.04 1.11 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.45 1sg0 h LEU 21 N 0.72 0.70 -0.26 5.07 3.38 -0.72 -0.29 115.31 123.92 1sg0 h LEU 21 Ca 0.08 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1sg0 h LEU 21 Cb 0.84 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1sg0 h LEU 21 CO 0.07 0.92 -0.07 0.50 0.09 0.00 0.00 178.44 179.96 1sg0 h LYS 22 N 0.61 0.50 -0.62 1.13 3.11 -0.96 -2.29 116.57 118.05 1sg0 h LYS 22 Ca 0.09 -0.20 -0.08 0.00 -2.81 0.00 0.00 60.65 57.65 1sg0 h LYS 22 Cb 0.72 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.90 1sg0 h LYS 22 CO 0.06 0.72 0.07 -0.91 -2.81 0.00 0.00 179.45 176.58 1sg0 h ASN 23 N 0.25 0.99 -0.65 4.20 2.35 -1.02 -1.26 115.58 120.45 1sg0 h ASN 23 Ca 0.07 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.55 1sg0 h ASN 23 Cb 0.54 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 1sg0 h ASN 23 CO 0.03 1.00 0.32 0.58 -1.65 0.00 0.00 177.43 177.71 1sg0 h VAL 24 N 0.96 1.22 -0.35 2.81 2.07 -1.00 0.10 116.25 122.06 1sg0 h VAL 24 Ca 0.19 -0.62 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1sg0 h VAL 24 Cb 0.45 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1sg0 h VAL 24 CO 0.02 0.26 -0.11 0.00 0.02 0.00 0.00 177.57 177.75 1sg0 h ALA 25 N 1.40 0.49 -0.37 1.67 0.00 -0.96 -0.88 119.26 120.60 1sg0 h ALA 25 Ca 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1sg0 h ALA 25 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1sg0 h ALA 25 CO -0.03 0.36 0.15 0.28 0.00 0.00 0.00 179.25 180.01 1sg0 h VAL 26 N 0.49 1.19 0.05 0.00 2.07 -0.78 -0.85 116.25 118.43 1sg0 h VAL 26 Ca 0.09 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1sg0 h VAL 26 Cb 0.63 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1sg0 h VAL 26 CO 0.04 0.21 -0.03 0.44 0.02 0.00 0.00 177.57 178.26 1sg0 h ASP 27 N 0.46 -0.06 -0.17 0.57 3.32 -0.68 0.05 116.42 119.90 1sg0 h ASP 27 Ca 0.12 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1sg0 h ASP 27 Cb 0.19 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1sg0 h ASP 27 CO -0.01 -0.05 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.34 1sg0 h GLU 28 N -0.07 0.33 -0.28 3.56 4.57 -1.12 -0.30 114.58 121.27 1sg0 h GLU 28 Ca -0.01 -0.13 -0.09 0.00 -1.18 0.00 0.00 59.36 57.95 1sg0 h GLU 28 Cb 0.06 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1sg0 h GLU 28 CO 0.01 0.60 -0.22 -0.07 -1.18 0.00 0.00 179.01 178.15 1sg0 h LEU 29 N 0.03 0.52 -0.46 1.64 3.38 -1.17 -1.64 115.31 117.61 1sg0 h LEU 29 Ca 0.04 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1sg0 h LEU 29 Cb 0.48 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1sg0 h LEU 29 CO 0.02 0.74 -0.04 -1.28 0.09 0.00 0.00 178.44 177.97 1sg0 h SER 30 N 0.46 0.83 -0.62 -0.43 0.87 -0.91 -1.48 113.55 112.27 1sg0 h SER 30 Ca 0.07 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1sg0 h SER 30 Cb 0.64 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1sg0 h SER 30 CO 0.05 0.96 0.40 -0.09 -0.53 0.00 0.00 176.83 177.61 1sg0 h ARG 31 N 0.68 0.84 0.00 2.24 2.43 -0.68 -0.71 114.38 119.17 1sg0 h ARG 31 Ca 0.12 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1sg0 h ARG 31 Cb 0.56 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1sg0 h ARG 31 CO 0.03 0.57 0.00 1.04 -1.51 0.00 0.00 179.97 180.10 1sg0 n GLN 32 N -4.42 0.17 -0.21 0.20 6.02 -0.65 -4.86 117.38 113.63 1sg0 n GLN 32 Ca 0.06 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.48 1sg0 n GLN 32 Cb 0.06 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.47 1sg0 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sg0 n GLY 33 N -0.14 0.83 3.80 1.08 0.00 -0.27 -5.07 105.19 105.41 1sg0 n GLY 33 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1sg0 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sg0 s THR 35 N -2.52 5.07 -0.05 0.00 2.01 -0.29 -4.53 115.64 115.34 1sg0 s THR 35 Ca 0.63 1.12 0.04 0.00 0.31 0.00 0.00 61.69 63.80 1sg0 s THR 35 Cb -0.17 -3.91 -0.00 0.00 0.01 0.00 0.00 72.50 68.43 1sg0 s THR 35 CO 0.41 0.18 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.65 1sg0 s VAL 36 N 1.49 1.45 -0.01 3.82 1.01 -1.26 -0.05 120.40 126.84 1sg0 s VAL 36 Ca 0.28 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1sg0 s VAL 36 Cb -0.16 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1sg0 s VAL 36 CO 0.11 0.42 -0.10 -0.89 0.00 0.00 0.00 175.10 174.64 1sg0 s THR 37 N 0.09 0.82 -0.08 3.92 2.01 -0.34 -4.99 115.64 117.07 1sg0 s THR 37 Ca -0.05 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.56 1sg0 s THR 37 Cb -0.12 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.70 1sg0 s THR 37 CO 0.03 0.24 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.30 1sg0 s VAL 38 N -0.16 1.76 -0.47 3.82 1.01 -1.26 -0.58 120.40 124.51 1sg0 s VAL 38 Ca 0.03 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 1sg0 s VAL 38 Cb -0.05 -1.53 0.12 0.00 0.00 0.00 0.00 36.38 34.92 1sg0 s VAL 38 CO -0.00 0.49 0.35 -0.44 0.00 0.00 0.00 175.10 175.50 1sg0 s SER 39 N 0.33 5.73 -1.01 3.32 0.01 0.15 -4.96 113.70 117.27 1sg0 s SER 39 Ca -0.14 -1.89 -0.18 0.00 1.31 0.00 0.00 55.95 55.04 1sg0 s SER 39 Cb -0.16 -2.02 0.13 0.00 0.21 0.00 0.00 66.02 64.17 1sg0 s SER 39 CO 0.06 -0.70 1.26 -0.62 0.41 0.00 0.00 173.24 173.65 1sg0 s ASP 40 N 2.72 6.71 0.21 2.44 -1.08 -1.26 -0.97 116.67 125.43 1sg0 s ASP 40 Ca 0.05 -2.18 -0.11 0.00 -0.52 0.00 0.00 52.55 49.79 1sg0 s ASP 40 Cb -0.26 -2.43 0.28 0.00 -1.46 0.00 0.00 42.92 39.05 1sg0 s ASP 40 CO -0.00 -1.06 1.66 -0.07 0.52 0.00 0.00 175.17 176.22 1sg0 h LEU 41 N 10.66 -0.32 -0.66 -1.34 3.38 -1.74 -0.23 115.31 125.07 1sg0 h LEU 41 Ca 0.21 0.16 -0.11 0.00 0.09 0.00 0.00 57.88 58.23 1sg0 h LEU 41 Cb 0.98 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1sg0 h LEU 41 CO 1.19 -0.13 -0.11 1.88 0.09 0.00 0.00 178.44 181.37 1sg0 h TYR 42 N 0.10 1.04 0.00 1.13 0.05 -1.85 -0.91 116.97 116.53 1sg0 h TYR 42 Ca 0.31 -0.20 -0.07 0.00 0.05 0.00 0.00 58.73 58.81 1sg0 h TYR 42 Cb 0.50 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1sg0 h TYR 42 CO -0.38 0.98 -0.35 0.00 -1.05 0.00 0.00 178.16 177.36 1sg0 h ALA 43 N 1.03 1.39 -0.00 3.88 0.00 -1.68 -1.55 119.26 122.32 1sg0 h ALA 43 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1sg0 h ALA 43 Cb 0.64 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1sg0 h ALA 43 CO 0.04 0.44 -0.19 -1.33 0.00 0.00 0.00 179.25 178.22 1sg0 n MET 44 N -4.08 0.10 -3.80 0.00 2.81 -0.17 -4.91 117.12 107.07 1sg0 n MET 44 Ca -0.02 -0.03 -0.28 0.00 -1.81 0.00 0.00 57.70 55.56 1sg0 n MET 44 Cb 0.39 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.45 1sg0 n MET 44 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1sg0 n ASN 45 N -1.42 -5.33 -4.64 7.83 3.02 -0.46 -4.83 115.26 109.43 1sg0 n ASN 45 Ca 0.08 -0.69 -0.48 0.00 -0.03 0.00 0.00 54.58 53.46 1sg0 n ASN 45 Cb 0.33 -4.23 -0.05 0.00 -0.61 0.00 0.00 39.78 35.22 1sg0 n ASN 45 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1sg0 n PHE 46 N -4.77 2.00 -2.27 3.10 7.35 -0.54 -4.91 117.46 117.43 1sg0 n PHE 46 Ca 0.03 0.41 -0.43 0.00 -0.76 0.00 0.00 57.45 56.70 1sg0 n PHE 46 Cb 0.54 -2.46 -0.02 0.00 0.35 0.00 0.00 39.48 37.88 1sg0 n PHE 46 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1sg0 s GLU 47 N 0.66 4.16 0.11 -4.13 2.56 -1.26 -4.92 118.70 115.87 1sg0 s GLU 47 Ca 0.80 1.79 0.21 0.00 0.00 0.00 0.00 54.97 57.77 1sg0 s GLU 47 Cb -0.77 -3.86 -0.12 0.00 2.00 0.00 0.00 34.13 31.38 1sg0 s GLU 47 CO 0.42 -0.83 0.83 -2.30 -0.56 0.00 0.00 175.26 172.82 1sg0 n PRO 48 N 6.90 0.62 -2.44 4.30 -0.02 -1.26 -4.69 135.00 138.42 1sg0 n PRO 48 Ca 0.15 0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 1sg0 n PRO 48 Cb 0.44 -1.74 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1sg0 n PRO 48 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1sg0 s ARG 49 N -3.30 4.49 -0.62 -0.52 0.52 -1.26 -4.34 118.95 113.92 1sg0 s ARG 49 Ca -0.03 1.77 -0.23 0.00 -0.52 0.00 0.00 55.73 56.72 1sg0 s ARG 49 Cb 0.10 -3.31 0.06 0.00 0.52 0.00 0.00 34.95 32.32 1sg0 s ARG 49 CO 0.83 -0.14 0.95 0.00 0.02 0.00 0.00 175.30 176.96 1sg0 s ALA 50 N 0.51 3.13 0.33 2.13 0.00 -1.26 -4.98 121.76 121.61 1sg0 s ALA 50 Ca 0.55 -1.59 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1sg0 s ALA 50 Cb -0.30 -3.81 -0.04 0.00 0.00 0.00 0.00 23.12 18.98 1sg0 s ALA 50 CO 0.32 -2.62 0.15 0.95 0.00 0.00 0.00 175.76 174.56 1sg0 s THR 51 N 4.03 0.45 -1.32 0.00 -4.23 -1.26 -5.02 115.64 108.31 1sg0 s THR 51 Ca 0.25 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.90 1sg0 s THR 51 Cb -0.15 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.39 1sg0 s THR 51 CO 0.14 0.00 1.36 -0.90 -0.54 0.00 0.00 174.62 174.68 1sg0 n ASP 52 N -1.01 0.00 0.00 3.99 5.68 -1.26 -1.54 116.55 122.40 1sg0 n ASP 52 Ca -0.01 0.20 0.11 0.00 -0.50 0.00 0.00 54.79 54.60 1sg0 n ASP 52 Cb 0.65 -0.34 0.54 0.00 -1.14 0.00 0.00 41.12 40.83 1sg0 n ASP 52 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1sg0 n LYS 53 N -1.34 0.14 0.00 0.11 5.02 -1.26 -2.71 118.16 118.12 1sg0 n LYS 53 Ca 0.05 0.08 0.14 0.00 -2.02 0.00 0.00 58.31 56.57 1sg0 n LYS 53 Cb 0.12 -1.50 0.66 0.00 -0.02 0.00 0.00 35.03 34.29 1sg0 n LYS 53 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1sg0 n ASP 54 N -1.41 0.04 -4.16 4.39 8.00 -0.59 -4.65 116.55 118.15 1sg0 n ASP 54 Ca 0.08 0.17 -0.28 0.00 0.71 0.00 0.00 54.79 55.47 1sg0 n ASP 54 Cb 0.24 -0.37 -0.16 0.00 -0.02 0.00 0.00 41.12 40.80 1sg0 n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sg0 s ILE 55 N -2.81 1.67 -0.32 0.53 1.09 -1.10 -0.92 121.20 119.33 1sg0 s ILE 55 Ca 0.20 -0.82 0.12 0.00 -1.10 0.00 0.00 60.65 59.05 1sg0 s ILE 55 Cb 0.19 -1.44 -0.16 0.00 -1.06 0.00 0.00 42.46 40.00 1sg0 s ILE 55 CO 0.51 0.47 0.40 0.41 -0.10 0.00 0.00 174.94 176.63 1sg0 n THR 56 N 3.30 0.00 -2.13 2.92 -1.04 0.07 -4.94 114.28 112.47 1sg0 n THR 56 Ca -0.19 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.05 61.46 1sg0 n THR 56 Cb 0.53 0.66 0.06 0.00 -1.82 0.00 0.00 70.33 69.75 1sg0 n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sg0 n GLY 57 N 1.51 0.17 3.70 3.41 0.00 -1.25 -5.00 105.19 107.72 1sg0 n GLY 57 Ca 0.00 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 1sg0 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sg0 s THR 58 N -1.51 2.94 0.49 2.61 2.01 -1.26 -4.96 115.64 115.96 1sg0 s THR 58 Ca 0.30 0.47 -0.21 0.00 0.31 0.00 0.00 61.69 62.56 1sg0 s THR 58 Cb -0.01 -3.30 -0.07 0.00 0.01 0.00 0.00 72.50 69.12 1sg0 s THR 58 CO 0.20 0.01 1.13 -0.76 -0.69 0.00 0.00 174.62 174.51 1sg0 s LEU 59 N 2.31 3.89 0.25 4.42 1.43 -1.26 -4.94 118.68 124.78 1sg0 s LEU 59 Ca 0.73 2.20 -0.02 0.00 -1.03 0.00 0.00 54.13 56.01 1sg0 s LEU 59 Cb -0.41 -4.42 0.32 0.00 0.03 0.00 0.00 46.19 41.71 1sg0 s LEU 59 CO 0.32 -1.01 1.74 -1.28 0.23 0.00 0.00 176.35 176.35 1sg0 h SER 60 N 1.66 0.75 -2.51 2.29 0.87 -1.93 -3.38 113.55 111.29 1sg0 h SER 60 Ca -0.50 -0.20 -0.52 0.00 -1.23 0.00 0.00 61.79 59.34 1sg0 h SER 60 Cb 1.25 -0.20 -0.38 0.00 -0.44 0.00 0.00 62.40 62.63 1sg0 h SER 60 CO 0.59 0.85 -0.80 0.21 -0.53 0.00 0.00 176.83 177.14 1sg0 s ASN 61 N -6.67 2.77 0.00 6.23 3.84 -1.26 -5.00 114.94 114.85 1sg0 s ASN 61 Ca -0.09 -1.81 0.17 0.00 0.21 0.00 0.00 52.86 51.34 1sg0 s ASN 61 Cb 0.14 -0.19 0.89 0.00 -0.55 0.00 0.00 41.25 41.53 1sg0 s ASN 61 CO 0.81 -0.34 1.48 -0.81 -2.79 0.00 0.00 177.10 175.45 1sg0 n PRO 62 N 4.43 0.31 -0.05 0.43 -0.04 -1.26 -3.24 135.00 135.57 1sg0 n PRO 62 Ca 0.07 0.10 -0.22 0.00 -0.04 0.00 0.00 63.50 63.41 1sg0 n PRO 62 Cb 0.40 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.23 1sg0 n PRO 62 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1sg0 n GLU 63 N -1.22 0.68 -3.95 0.54 2.13 -1.26 -4.85 120.64 112.70 1sg0 n GLU 63 Ca 0.09 0.38 -0.29 0.00 0.66 0.00 0.00 57.16 58.00 1sg0 n GLU 63 Cb 0.12 -1.71 -0.16 0.00 0.27 0.00 0.00 31.44 29.95 1sg0 n GLU 63 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1sg0 s VAL 64 N -2.48 1.35 -0.22 6.31 1.01 -1.20 -5.11 120.40 120.05 1sg0 s VAL 64 Ca -0.26 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 60.74 1sg0 s VAL 64 Cb 0.07 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1sg0 s VAL 64 CO 0.68 0.21 0.85 0.12 0.00 0.00 0.00 175.10 176.97 1sg0 s PHE 65 N 1.54 3.34 -0.31 5.22 5.36 -1.26 -4.70 117.98 127.17 1sg0 s PHE 65 Ca 0.01 1.20 0.03 0.00 -0.96 0.00 0.00 56.93 57.21 1sg0 s PHE 65 Cb -0.15 -3.06 0.08 0.00 -0.34 0.00 0.00 43.02 39.55 1sg0 s PHE 65 CO -0.08 -0.37 -0.01 1.21 -1.46 0.00 0.00 175.22 174.50 1sg0 s ASN 66 N 1.28 4.62 0.19 6.13 3.84 -1.26 -5.02 114.94 124.72 1sg0 s ASN 66 Ca 0.37 -1.85 -0.14 0.00 0.21 0.00 0.00 52.86 51.44 1sg0 s ASN 66 Cb -0.16 -1.58 0.18 0.00 -0.55 0.00 0.00 41.25 39.14 1sg0 s ASN 66 CO 0.08 -0.31 1.67 0.22 -2.79 0.00 0.00 177.10 175.97 1sg0 h TYR 67 N 7.68 -0.13 -0.07 0.43 3.20 -1.97 -0.91 116.97 125.20 1sg0 h TYR 67 Ca -0.10 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.83 1sg0 h TYR 67 Cb 1.03 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.42 1sg0 h TYR 67 CO 0.52 -0.16 -0.04 0.78 -1.64 0.00 0.00 178.16 177.63 1sg0 h GLY 68 N 0.06 0.03 0.94 1.82 0.00 -1.99 -0.61 103.07 103.32 1sg0 h GLY 68 Ca 0.25 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 1sg0 h GLY 68 CO -0.46 -0.05 0.10 -2.08 0.00 0.00 0.00 176.54 174.05 1sg0 h VAL 69 N -0.04 1.11 -0.69 4.60 2.07 -1.91 -1.56 116.25 119.83 1sg0 h VAL 69 Ca 0.04 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1sg0 h VAL 69 Cb 0.10 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1sg0 h VAL 69 CO -0.09 0.10 0.15 -0.33 0.02 0.00 0.00 177.57 177.42 1sg0 h GLU 70 N 0.19 1.11 -0.09 1.57 4.39 -1.08 -1.74 114.58 118.93 1sg0 h GLU 70 Ca 0.06 -0.28 -0.14 0.00 0.34 0.00 0.00 59.36 59.35 1sg0 h GLU 70 Cb 0.08 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1sg0 h GLU 70 CO -0.01 0.99 -0.56 1.79 -1.16 0.00 0.00 179.01 180.06 1sg0 h THR 71 N 1.04 1.37 -0.24 1.13 1.35 -1.04 0.80 112.91 117.32 1sg0 h THR 71 Ca 0.21 -1.87 -0.03 0.00 -0.55 0.00 0.00 66.41 64.17 1sg0 h THR 71 Cb 0.40 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.72 1sg0 h THR 71 CO 0.01 0.56 0.03 -0.74 -0.25 0.00 0.00 175.52 175.12 1sg0 h HIS 72 N 0.20 0.43 -0.52 4.73 -0.00 -1.08 -0.21 115.15 118.70 1sg0 h HIS 72 Ca 0.00 -0.06 -0.05 0.00 -0.00 0.00 0.00 60.37 60.26 1sg0 h HIS 72 Cb 1.05 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.32 1sg0 h HIS 72 CO 0.02 0.53 0.12 1.49 -0.00 0.00 0.00 177.93 180.10 1sg0 h GLU 73 N 0.20 0.83 -0.48 5.26 4.57 -1.22 -2.52 114.58 121.22 1sg0 h GLU 73 Ca 0.07 -0.20 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 1sg0 h GLU 73 Cb 0.34 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1sg0 h GLU 73 CO 0.01 0.79 0.14 0.00 -1.18 0.00 0.00 179.01 178.77 1sg0 h ALA 74 N 1.00 1.35 -0.28 2.92 0.00 -0.69 -1.14 119.26 122.41 1sg0 h ALA 74 Ca 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1sg0 h ALA 74 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1sg0 h ALA 74 CO 0.00 0.47 0.08 -0.92 0.00 0.00 0.00 179.25 178.88 1sg0 h TYR 75 N 0.69 0.46 -0.29 0.00 3.20 -0.76 0.38 116.97 120.64 1sg0 h TYR 75 Ca 0.16 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.90 1sg0 h TYR 75 Cb 0.23 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1sg0 h TYR 75 CO 0.01 0.50 -0.14 0.87 -1.64 0.00 0.00 178.16 177.76 1sg0 h LYS 76 N 0.28 0.50 0.00 1.82 1.57 -1.10 -2.86 116.57 116.78 1sg0 h LYS 76 Ca 0.09 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1sg0 h LYS 76 Cb 0.27 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1sg0 h LYS 76 CO -0.00 0.63 -0.56 1.04 -0.57 0.00 0.00 179.45 180.00 1sg0 n GLN 77 N -4.19 0.23 -2.70 3.15 1.13 -0.46 -4.97 117.38 109.56 1sg0 n GLN 77 Ca 0.00 0.07 -0.08 0.00 -1.94 0.00 0.00 57.00 55.05 1sg0 n GLN 77 Cb 0.33 -1.65 0.04 0.00 0.11 0.00 0.00 30.24 29.08 1sg0 n GLN 77 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1sg0 n ARG 78 N -1.98 -3.11 -0.52 -1.09 1.74 0.10 -4.98 116.66 106.84 1sg0 n ARG 78 Ca 0.04 0.39 0.07 0.00 -0.77 0.00 0.00 57.85 57.57 1sg0 n ARG 78 Cb 0.42 -4.04 0.15 0.00 -1.02 0.00 0.00 32.46 27.97 1sg0 n ARG 78 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1sg0 n SER 79 N -1.78 1.70 -4.87 0.55 3.41 0.40 -5.03 113.62 108.01 1sg0 n SER 79 Ca -0.11 -3.25 -0.31 0.00 -0.26 0.00 0.00 58.87 54.93 1sg0 n SER 79 Cb 0.57 -0.44 -0.01 0.00 -0.26 0.00 0.00 64.21 64.07 1sg0 n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sg0 s LEU 80 N -2.48 3.44 0.43 1.04 1.43 -1.24 -0.75 118.68 120.56 1sg0 s LEU 80 Ca 0.32 1.39 -0.26 0.00 -1.03 0.00 0.00 54.13 54.56 1sg0 s LEU 80 Cb 0.31 -4.39 -0.09 0.00 0.03 0.00 0.00 46.19 42.06 1sg0 s LEU 80 CO -0.04 -0.72 1.43 0.00 0.23 0.00 0.00 176.35 177.25 1sg0 s ALA 81 N -2.91 3.30 0.46 4.21 0.00 -0.10 -4.79 121.76 121.94 1sg0 s ALA 81 Ca 0.55 1.48 0.14 0.00 0.00 0.00 0.00 51.96 54.13 1sg0 s ALA 81 Cb -0.11 -3.59 1.09 0.00 0.00 0.00 0.00 23.12 20.52 1sg0 s ALA 81 CO 0.44 -1.15 2.04 0.66 0.00 0.00 0.00 175.76 177.75 1sg0 h SER 82 N 2.47 0.26 -0.14 0.00 4.64 -1.94 -1.94 113.55 116.90 1sg0 h SER 82 Ca -0.51 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.78 1sg0 h SER 82 Cb 1.26 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1sg0 h SER 82 CO 0.62 0.17 0.01 -2.24 -0.87 0.00 0.00 176.83 174.52 1sg0 h ASP 83 N 0.30 0.32 -0.06 4.97 2.03 -2.00 0.35 116.42 122.33 1sg0 h ASP 83 Ca 0.18 -0.04 -0.05 0.00 -0.73 0.00 0.00 57.03 56.39 1sg0 h ASP 83 Cb 0.34 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.76 1sg0 h ASP 83 CO -0.04 0.37 -0.16 0.40 -1.03 0.00 0.00 179.24 178.79 1sg0 h ILE 84 N 0.34 1.43 -0.31 4.15 2.04 -1.72 -2.97 117.51 120.47 1sg0 h ILE 84 Ca 0.08 -1.52 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 1sg0 h ILE 84 Cb 0.22 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 1sg0 h ILE 84 CO 0.00 0.42 0.00 0.71 0.00 0.00 0.00 178.15 179.29 1sg0 h THR 85 N -0.30 1.18 -0.80 -0.27 1.35 -1.31 -0.80 112.91 111.96 1sg0 h THR 85 Ca -0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1sg0 h THR 85 Cb 0.76 0.95 -0.04 0.00 -1.73 0.00 0.00 68.15 68.09 1sg0 h THR 85 CO 0.03 0.24 0.51 0.44 -0.25 0.00 0.00 175.52 176.50 1sg0 h ASP 86 N 0.45 0.94 -0.23 5.36 3.32 -0.92 -0.76 116.42 124.59 1sg0 h ASP 86 Ca 0.10 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.94 1sg0 h ASP 86 Cb 0.29 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1sg0 h ASP 86 CO 0.01 0.70 -0.46 -0.33 -1.72 0.00 0.00 179.24 177.44 1sg0 h GLU 87 N 1.09 0.80 -0.49 3.56 4.39 -1.23 -2.96 114.58 119.75 1sg0 h GLU 87 Ca 0.29 -0.46 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 1sg0 h GLU 87 Cb -0.09 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1sg0 h GLU 87 CO -0.06 1.09 0.19 1.96 -1.16 0.00 0.00 179.01 181.03 1sg0 h GLN 88 N 0.63 0.70 -0.55 2.33 4.20 -0.64 -1.41 115.11 120.37 1sg0 h GLN 88 Ca 0.04 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1sg0 h GLN 88 Cb 1.04 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 1sg0 h GLN 88 CO 0.10 0.59 0.27 0.87 -0.67 0.00 0.00 178.83 179.99 1sg0 h LYS 89 N 0.70 0.80 -0.68 1.46 1.57 -1.03 0.15 116.57 119.54 1sg0 h LYS 89 Ca 0.17 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1sg0 h LYS 89 Cb 0.15 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1sg0 h LYS 89 CO -0.02 0.65 0.31 0.87 -0.57 0.00 0.00 179.45 180.69 1sg0 h LYS 90 N 0.75 0.99 -0.23 3.15 1.57 -1.23 -2.40 116.57 119.16 1sg0 h LYS 90 Ca 0.19 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1sg0 h LYS 90 Cb 0.12 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1sg0 h LYS 90 CO -0.02 0.80 -0.19 0.28 -0.57 0.00 0.00 179.45 179.75 1sg0 h VAL 91 N 0.95 1.32 -0.82 0.50 2.07 -0.98 -2.31 116.25 116.98 1sg0 h VAL 91 Ca 0.23 -1.32 0.10 0.00 0.82 0.00 0.00 66.70 66.53 1sg0 h VAL 91 Cb 0.15 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 1sg0 h VAL 91 CO -0.03 0.41 0.53 -0.09 0.02 0.00 0.00 177.57 178.42 1sg0 h ARG 92 N 0.24 0.72 0.00 1.57 2.43 -0.55 -2.16 114.38 116.62 1sg0 h ARG 92 Ca 0.04 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1sg0 h ARG 92 Cb 0.72 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1sg0 h ARG 92 CO 0.05 0.47 -0.68 0.93 -1.51 0.00 0.00 179.97 179.23 1sg0 h GLU 93 N 0.74 0.00 -6.93 0.20 5.08 -1.39 -3.47 114.58 108.81 1sg0 h GLU 93 Ca 0.38 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 58.25 1sg0 h GLU 93 Cb 0.49 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.77 1sg0 h GLU 93 CO -0.15 0.04 0.47 0.00 -1.00 0.00 0.00 179.01 178.37 1sg0 s ALA 94 N -3.26 3.17 -0.13 3.43 0.00 -0.81 -4.72 121.76 119.43 1sg0 s ALA 94 Ca 0.02 0.87 0.17 0.00 0.00 0.00 0.00 51.96 53.02 1sg0 s ALA 94 Cb 0.08 -3.34 -0.23 0.00 0.00 0.00 0.00 23.12 19.63 1sg0 s ALA 94 CO 0.75 -0.36 0.42 -0.25 0.00 0.00 0.00 175.76 176.32 1sg0 n ASP 95 N 0.21 0.38 -3.81 0.00 8.00 0.39 -4.88 116.55 116.84 1sg0 n ASP 95 Ca 0.04 0.18 -0.14 0.00 0.71 0.00 0.00 54.79 55.57 1sg0 n ASP 95 Cb 0.47 0.71 -0.15 0.00 -0.02 0.00 0.00 41.12 42.13 1sg0 n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sg0 s LEU 96 N -5.56 1.44 -0.19 0.64 2.96 -1.02 -1.03 118.68 115.92 1sg0 s LEU 96 Ca -0.07 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1sg0 s LEU 96 Cb 0.08 -0.02 0.02 0.00 0.50 0.00 0.00 46.19 46.77 1sg0 s LEU 96 CO 0.83 -0.08 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.91 1sg0 s VAL 97 N 0.63 2.11 -0.16 1.68 1.01 0.10 -1.12 120.40 124.66 1sg0 s VAL 97 Ca -0.05 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 1sg0 s VAL 97 Cb -0.08 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1sg0 s VAL 97 CO -0.02 0.49 0.01 -0.63 0.00 0.00 0.00 175.10 174.95 1sg0 s ILE 98 N 1.28 4.29 -0.24 2.22 1.01 0.29 -1.29 121.20 128.75 1sg0 s ILE 98 Ca 0.04 -0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.40 1sg0 s ILE 98 Cb -0.14 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 1sg0 s ILE 98 CO -0.12 0.49 0.06 -0.36 0.00 0.00 0.00 174.94 175.01 1sg0 s PHE 99 N 0.24 3.08 -0.26 3.97 0.08 -0.28 -0.24 117.98 124.58 1sg0 s PHE 99 Ca 0.00 -0.43 -0.03 0.00 0.12 0.00 0.00 56.93 56.59 1sg0 s PHE 99 Cb -0.13 -2.22 0.02 0.00 -0.57 0.00 0.00 43.02 40.11 1sg0 s PHE 99 CO 0.02 -0.35 -0.02 -1.14 -0.10 0.00 0.00 175.22 173.63 1sg0 s GLN 100 N 1.56 2.92 0.08 0.44 2.00 -0.34 -0.19 119.66 126.13 1sg0 s GLN 100 Ca 0.06 -0.93 -0.26 0.00 -2.00 0.00 0.00 55.36 52.23 1sg0 s GLN 100 Cb -0.15 -3.09 0.08 0.00 0.80 0.00 0.00 33.01 30.65 1sg0 s GLN 100 CO 0.03 -0.40 0.68 -0.59 -0.50 0.00 0.00 175.29 174.51 1sg0 s PHE 101 N 1.38 -0.52 0.11 1.67 -0.71 -0.84 -1.29 117.98 117.78 1sg0 s PHE 101 Ca 0.01 0.47 -0.22 0.00 -1.04 0.00 0.00 56.93 56.15 1sg0 s PHE 101 Cb -0.17 0.52 -0.07 0.00 -1.21 0.00 0.00 43.02 42.10 1sg0 s PHE 101 CO -0.03 -0.74 0.65 -1.25 -1.34 0.00 0.00 175.22 172.52 1sg0 s PRO 102 N -3.07 4.35 0.12 1.99 0.04 -1.26 -2.20 135.00 134.97 1sg0 s PRO 102 Ca -0.01 0.91 -0.31 0.00 0.04 0.00 0.00 61.00 61.63 1sg0 s PRO 102 Cb -0.01 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.20 1sg0 s PRO 102 CO -0.08 0.61 1.49 -1.17 0.04 0.00 0.00 177.00 177.90 1sg0 s LEU 103 N -1.12 4.37 -0.22 -3.56 2.96 0.26 -4.37 118.68 117.00 1sg0 s LEU 103 Ca 0.32 2.44 0.01 0.00 -0.22 0.00 0.00 54.13 56.68 1sg0 s LEU 103 Cb -0.21 -3.59 0.05 0.00 0.50 0.00 0.00 46.19 42.94 1sg0 s LEU 103 CO 0.22 -0.75 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.10 1sg0 s TYR 104 N 1.36 2.55 -1.27 5.38 1.51 -0.12 -4.80 117.35 121.96 1sg0 s TYR 104 Ca 0.68 -1.75 -0.07 0.00 -1.01 0.00 0.00 57.07 54.91 1sg0 s TYR 104 Cb -0.40 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.77 1sg0 s TYR 104 CO 0.31 -0.77 0.64 0.91 -1.11 0.00 0.00 175.55 175.52 1sg0 n TRP 105 N 4.64 -1.84 -2.05 2.71 5.03 -1.26 -1.42 117.44 123.25 1sg0 n TRP 105 Ca -0.14 0.68 -0.18 0.00 3.03 0.00 0.00 57.50 60.88 1sg0 n TRP 105 Cb 0.45 -3.84 -0.04 0.00 -1.03 0.00 0.00 31.31 26.85 1sg0 n TRP 105 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 1sg0 n PHE 106 N -4.25 -0.72 -2.50 -5.99 3.01 -1.26 -4.89 117.46 100.86 1sg0 n PHE 106 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.23 1sg0 n PHE 106 Cb 0.65 -3.44 0.00 0.00 -0.01 0.00 0.00 39.48 36.68 1sg0 n PHE 106 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sg0 n SER 107 N -1.60 0.00 -4.90 4.37 2.88 -0.51 -4.85 113.62 109.02 1sg0 n SER 107 Ca -0.20 -0.26 -0.29 0.00 -1.33 0.00 0.00 58.87 56.79 1sg0 n SER 107 Cb 0.64 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.07 1sg0 n SER 107 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1sg0 s VAL 108 N -2.57 5.00 0.63 2.46 -7.23 -1.26 -0.95 120.40 116.47 1sg0 s VAL 108 Ca 0.00 0.13 -0.19 0.00 -1.81 0.00 0.00 61.98 60.11 1sg0 s VAL 108 Cb 0.00 -3.73 -0.02 0.00 0.56 0.00 0.00 36.38 33.19 1sg0 s VAL 108 CO 0.00 -0.34 1.30 -2.84 -0.31 0.00 0.00 175.10 172.91 1sg0 s PRO 109 N -3.56 2.66 0.40 4.82 0.02 -1.26 -4.64 135.00 133.44 1sg0 s PRO 109 Ca 0.45 2.07 0.16 0.00 0.02 0.00 0.00 61.00 63.69 1sg0 s PRO 109 Cb -0.11 -1.90 1.03 0.00 0.02 0.00 0.00 34.50 33.54 1sg0 s PRO 109 CO 0.30 -1.52 1.84 0.00 -0.33 0.00 0.00 177.00 177.29 1sg0 h ALA 110 N 0.69 2.12 -0.39 -1.55 0.00 -1.96 0.03 119.26 118.19 1sg0 h ALA 110 Ca -0.51 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1sg0 h ALA 110 Cb 1.33 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1sg0 h ALA 110 CO 0.54 -0.42 0.05 0.97 0.00 0.00 0.00 179.25 180.39 1sg0 h ILE 111 N 0.47 1.20 0.05 0.00 2.10 -1.94 0.88 117.51 120.27 1sg0 h ILE 111 Ca 0.49 -0.74 -0.24 0.00 1.08 0.00 0.00 64.86 65.44 1sg0 h ILE 111 Cb 1.12 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 37.71 1sg0 h ILE 111 CO -0.21 0.26 -1.06 0.25 -1.08 0.00 0.00 178.15 176.32 1sg0 h LEU 112 N 0.57 0.48 -1.17 2.19 5.85 -1.39 -2.72 115.31 119.11 1sg0 h LEU 112 Ca 0.13 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1sg0 h LEU 112 Cb 0.29 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1sg0 h LEU 112 CO 0.00 1.27 0.35 0.50 -0.34 0.00 0.00 178.44 180.22 1sg0 h LYS 113 N 0.16 0.92 -0.48 1.25 1.63 -0.58 -1.58 116.57 117.89 1sg0 h LYS 113 Ca -0.10 -0.10 -0.06 0.00 -0.85 0.00 0.00 60.65 59.54 1sg0 h LYS 113 Cb 1.73 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 33.15 1sg0 h LYS 113 CO 0.18 0.69 0.06 0.78 -3.45 0.00 0.00 179.45 177.71 1sg0 h GLY 114 N 0.99 0.81 0.95 5.01 0.00 -0.72 0.52 103.07 110.62 1sg0 h GLY 114 Ca 0.23 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1sg0 h GLY 114 CO -0.04 0.46 0.16 -0.25 0.00 0.00 0.00 176.54 176.87 1sg0 h TRP 115 N 0.72 0.45 -0.06 5.60 7.01 -1.00 -0.92 115.95 127.74 1sg0 h TRP 115 Ca 0.15 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 1sg0 h TRP 115 Cb 0.35 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.26 1sg0 h TRP 115 CO 0.02 0.38 0.03 0.52 -2.79 0.00 0.00 178.44 176.60 1sg0 h MET 116 N 0.39 0.09 -0.72 2.65 2.86 -0.80 0.77 114.93 120.16 1sg0 h MET 116 Ca 0.11 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.80 1sg0 h MET 116 Cb 0.09 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.68 1sg0 h MET 116 CO -0.02 0.18 0.41 -0.44 1.06 0.00 0.00 176.91 178.10 1sg0 h ASP 117 N -0.02 0.62 0.33 1.22 3.32 -0.77 -2.87 116.42 118.25 1sg0 h ASP 117 Ca 0.02 0.03 -0.32 0.00 0.02 0.00 0.00 57.03 56.78 1sg0 h ASP 117 Cb 0.12 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 1sg0 h ASP 117 CO -0.00 0.40 -1.86 0.54 -1.72 0.00 0.00 179.24 176.59 1sg0 n ARG 118 N -4.75 0.68 0.13 3.56 1.74 -0.36 -4.49 116.66 113.17 1sg0 n ARG 118 Ca 0.10 0.27 -0.23 0.00 -0.77 0.00 0.00 57.85 57.21 1sg0 n ARG 118 Cb 0.18 -1.74 -0.15 0.00 -1.02 0.00 0.00 32.46 29.72 1sg0 n ARG 118 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1sg0 h VAL 119 N 0.02 1.30 -0.77 1.55 2.07 -0.91 -3.38 116.25 116.13 1sg0 h VAL 119 Ca -0.35 -2.76 -0.72 0.00 0.82 0.00 0.00 66.70 63.69 1sg0 h VAL 119 Cb 2.03 3.01 -0.07 0.00 -1.52 0.00 0.00 31.29 34.73 1sg0 h VAL 119 CO 0.08 0.83 2.88 0.18 0.02 0.00 0.00 177.57 181.55 1sg0 n LEU 120 N -3.67 8.28 -4.91 2.57 4.77 -1.08 -4.81 117.00 118.15 1sg0 n LEU 120 Ca -0.16 -4.71 -0.28 0.00 -0.03 0.00 0.00 56.01 50.83 1sg0 n LEU 120 Cb 1.09 -1.43 0.06 0.00 -2.33 0.00 0.00 43.42 40.81 1sg0 n LEU 120 CO 0.59 2.07 0.66 0.00 -1.33 0.00 0.00 177.39 179.37 1sg0 s GLN 122 N -5.26 3.96 0.00 0.00 0.74 -1.26 -1.42 119.66 116.41 1sg0 s GLN 122 Ca 0.58 2.08 0.00 0.00 0.05 0.00 0.00 55.36 58.07 1sg0 s GLN 122 Cb -0.11 -2.72 0.00 0.00 1.10 0.00 0.00 33.01 31.28 1sg0 s GLN 122 CO 0.47 -0.48 0.00 0.41 -0.55 0.00 0.00 175.29 175.15 1sg0 n GLY 123 N 0.66 2.98 0.09 2.59 0.00 0.84 -4.49 105.19 107.86 1sg0 n GLY 123 Ca 0.04 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 1sg0 n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sg0 n PHE 124 N 0.00 0.31 0.04 1.61 7.35 -0.91 -4.74 117.46 121.12 1sg0 n PHE 124 Ca 0.00 0.13 0.01 0.00 -0.76 0.00 0.00 57.45 56.84 1sg0 n PHE 124 Cb 0.00 -0.65 -0.07 0.00 0.35 0.00 0.00 39.48 39.11 1sg0 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1sg0 n ALA 125 N -4.16 2.00 -3.70 3.13 0.00 -0.51 -4.67 120.51 112.60 1sg0 n ALA 125 Ca -0.17 -0.51 -0.08 0.00 0.00 0.00 0.00 53.44 52.68 1sg0 n ALA 125 Cb 0.49 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 1sg0 n ALA 125 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1sg0 s PHE 126 N -2.97 -0.29 0.21 0.00 -0.71 -1.25 -1.78 117.98 111.18 1sg0 s PHE 126 Ca -0.03 -0.05 0.01 0.00 -1.04 0.00 0.00 56.93 55.82 1sg0 s PHE 126 Cb 0.09 0.65 -0.05 0.00 -1.21 0.00 0.00 43.02 42.50 1sg0 s PHE 126 CO 0.81 -1.03 0.08 -0.51 -1.34 0.00 0.00 175.22 173.23 1sg0 s ASP 127 N -2.85 0.91 -0.33 1.98 1.01 -0.11 -0.12 116.67 117.16 1sg0 s ASP 127 Ca 0.08 -1.32 0.02 0.00 0.71 0.00 0.00 52.55 52.04 1sg0 s ASP 127 Cb -0.04 0.21 0.10 0.00 1.01 0.00 0.00 42.92 44.20 1sg0 s ASP 127 CO -0.00 -0.71 0.08 -0.63 0.21 0.00 0.00 175.17 174.11 1sg0 s ILE 128 N -3.84 1.64 0.87 0.77 -1.09 -1.26 -1.50 121.20 116.79 1sg0 s ILE 128 Ca 0.34 -1.96 -0.12 0.00 -2.23 0.00 0.00 60.65 56.68 1sg0 s ILE 128 Cb 0.07 -2.22 0.11 0.00 -1.58 0.00 0.00 42.46 38.84 1sg0 s ILE 128 CO 0.10 -0.65 1.10 -2.16 -1.23 0.00 0.00 174.94 172.11 1sg0 s PRO 129 N 1.18 1.52 0.00 2.79 0.04 -1.26 -5.14 135.00 134.13 1sg0 s PRO 129 Ca 0.11 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1sg0 s PRO 129 Cb -0.19 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1sg0 s PRO 129 CO -0.15 -2.00 0.00 0.41 0.04 0.00 0.00 177.00 175.30 1sg0 n GLY 130 N -1.81 0.36 3.24 0.56 0.00 -0.56 -5.10 105.19 101.87 1sg0 n GLY 130 Ca 0.07 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 1sg0 n GLY 130 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sg0 s PHE 131 N 0.00 1.31 0.00 1.61 -0.71 -1.23 -0.93 117.98 118.02 1sg0 s PHE 131 Ca 0.00 -1.44 0.00 0.00 -1.04 0.00 0.00 56.93 54.45 1sg0 s PHE 131 Cb 0.00 -0.58 0.00 0.00 -1.21 0.00 0.00 43.02 41.23 1sg0 s PHE 131 CO 0.00 -0.72 0.00 0.66 -1.34 0.00 0.00 175.22 173.82 1sg0 n TYR 132 N -0.37 0.00 0.27 3.49 4.01 0.14 -1.26 117.16 123.43 1sg0 n TYR 132 Ca 0.03 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.92 1sg0 n TYR 132 Cb 0.65 0.00 0.76 0.00 -0.31 0.00 0.00 39.34 40.44 1sg0 n TYR 132 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1sg0 h ASP 133 N 0.06 0.00 -0.50 7.72 3.32 -1.88 0.28 116.42 125.41 1sg0 h ASP 133 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sg0 h ASP 133 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sg0 h ASP 133 CO 0.00 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.32 1sg0 n SER 134 N -2.63 4.11 -4.66 6.45 7.64 -0.39 -4.94 113.62 119.20 1sg0 n SER 134 Ca -0.02 -2.44 -0.34 0.00 1.01 0.00 0.00 58.87 57.09 1sg0 n SER 134 Cb 0.24 -0.48 0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1sg0 n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sg0 n GLY 135 N 0.66 -0.23 0.06 0.23 0.00 0.97 -3.56 105.19 103.31 1sg0 n GLY 135 Ca 0.21 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.86 1sg0 n GLY 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sg0 n LEU 136 N -2.85 0.36 -1.93 0.99 4.77 -0.73 -2.42 117.00 115.18 1sg0 n LEU 136 Ca 0.13 0.57 0.03 0.00 -0.03 0.00 0.00 56.01 56.71 1sg0 n LEU 136 Cb 0.50 -0.50 0.37 0.00 -2.33 0.00 0.00 43.42 41.47 1sg0 n LEU 136 CO 0.48 -0.31 0.92 0.18 -1.33 0.00 0.00 177.39 177.34 1sg0 n LEU 137 N -1.87 5.83 -4.76 2.23 4.77 0.25 -4.97 117.00 118.49 1sg0 n LEU 137 Ca 0.04 -2.99 -0.39 0.00 -0.03 0.00 0.00 56.01 52.65 1sg0 n LEU 137 Cb 0.26 -0.71 0.03 0.00 -2.33 0.00 0.00 43.42 40.67 1sg0 n LEU 137 CO 0.20 0.68 0.98 0.00 -1.33 0.00 0.00 177.39 177.93 1sg0 s GLN 138 N -2.81 3.32 0.00 3.23 -2.07 -1.02 -2.11 119.66 118.21 1sg0 s GLN 138 Ca 0.54 2.22 0.00 0.00 -1.82 0.00 0.00 55.36 56.30 1sg0 s GLN 138 Cb 0.42 -2.36 0.00 0.00 -1.09 0.00 0.00 33.01 29.98 1sg0 s GLN 138 CO 0.15 -1.04 0.00 0.41 -1.32 0.00 0.00 175.29 173.49 1sg0 n GLY 139 N 0.67 2.88 3.91 2.60 0.00 -1.26 -5.00 105.19 108.99 1sg0 n GLY 139 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1sg0 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sg0 s LYS 140 N -0.86 3.58 0.05 1.61 1.02 -0.90 -4.98 119.74 119.27 1sg0 s LYS 140 Ca 0.00 -0.18 0.03 0.00 0.02 0.00 0.00 55.97 55.84 1sg0 s LYS 140 Cb 0.00 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 1sg0 s LYS 140 CO 0.00 0.42 0.03 -0.51 -0.92 0.00 0.00 175.35 174.37 1sg0 s LEU 141 N -3.00 3.63 0.03 3.17 1.43 -0.19 -1.08 118.68 122.66 1sg0 s LEU 141 Ca 0.40 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1sg0 s LEU 141 Cb -0.12 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 1sg0 s LEU 141 CO 0.27 0.22 -0.08 0.00 0.23 0.00 0.00 176.35 176.98 1sg0 s ALA 142 N -1.26 0.67 -0.12 4.21 0.00 -0.52 -0.73 121.76 124.02 1sg0 s ALA 142 Ca 0.25 -0.63 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 1sg0 s ALA 142 Cb -0.12 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.00 1sg0 s ALA 142 CO 0.17 0.07 0.29 -1.17 0.00 0.00 0.00 175.76 175.11 1sg0 s LEU 143 N -1.08 0.34 -0.26 0.00 0.20 -0.41 -0.87 118.68 116.61 1sg0 s LEU 143 Ca -0.04 0.62 -0.13 0.00 0.69 0.00 0.00 54.13 55.27 1sg0 s LEU 143 Cb -0.07 0.91 -0.04 0.00 -0.43 0.00 0.00 46.19 46.55 1sg0 s LEU 143 CO 0.00 -0.17 0.27 -0.76 -0.29 0.00 0.00 176.35 175.40 1sg0 s LEU 144 N 1.17 4.06 -0.39 -0.68 1.43 -1.26 -1.13 118.68 121.89 1sg0 s LEU 144 Ca -0.08 0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 53.15 1sg0 s LEU 144 Cb -0.09 -2.26 0.09 0.00 0.03 0.00 0.00 46.19 43.96 1sg0 s LEU 144 CO -0.09 -0.07 0.19 -0.55 0.23 0.00 0.00 176.35 176.06 1sg0 s SER 145 N 1.47 5.31 0.05 2.29 0.15 0.73 -0.72 113.70 122.98 1sg0 s SER 145 Ca 0.11 -1.74 0.06 0.00 0.70 0.00 0.00 55.95 55.07 1sg0 s SER 145 Cb -0.15 -1.86 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 1sg0 s SER 145 CO 0.09 -0.49 -0.11 -0.69 1.20 0.00 0.00 173.24 173.23 1sg0 s VAL 146 N 1.25 3.30 0.12 4.45 1.01 0.41 -1.98 120.40 128.95 1sg0 s VAL 146 Ca 0.04 -1.07 0.10 0.00 0.00 0.00 0.00 61.98 61.05 1sg0 s VAL 146 Cb -0.22 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1sg0 s VAL 146 CO -0.02 0.28 -0.23 0.42 0.00 0.00 0.00 175.10 175.55 1sg0 s THR 147 N -1.05 2.50 0.24 3.92 -4.23 -0.93 -0.25 115.64 115.84 1sg0 s THR 147 Ca 0.18 -1.62 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 1sg0 s THR 147 Cb -0.11 -2.12 -0.05 0.00 1.34 0.00 0.00 72.50 71.56 1sg0 s THR 147 CO 0.09 0.11 0.04 0.42 -0.54 0.00 0.00 174.62 174.74 1sg0 s THR 148 N -1.08 0.81 -0.17 3.99 -4.23 -1.05 -0.58 115.64 113.35 1sg0 s THR 148 Ca 0.15 -2.01 -0.02 0.00 -1.18 0.00 0.00 61.69 58.64 1sg0 s THR 148 Cb -0.10 -2.45 -0.23 0.00 1.34 0.00 0.00 72.50 71.06 1sg0 s THR 148 CO 0.07 -0.21 0.15 0.61 -0.54 0.00 0.00 174.62 174.71 1sg0 n GLY 149 N -0.43 -0.52 3.80 3.99 0.00 -1.26 -2.15 105.19 108.63 1sg0 n GLY 149 Ca -0.03 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1sg0 n GLY 149 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sg0 s GLY 150 N -5.90 2.26 0.68 -0.02 0.00 -1.26 -4.41 107.32 98.66 1sg0 s GLY 150 Ca -0.26 0.48 -0.09 0.00 0.00 0.00 0.00 44.72 44.85 1sg0 s GLY 150 CO 0.71 0.80 1.03 -0.51 0.00 0.00 0.00 173.10 175.13 1sg0 s THR 151 N -2.28 3.25 0.25 0.90 -4.23 -1.26 -3.09 115.64 109.18 1sg0 s THR 151 Ca 0.65 0.17 -0.05 0.00 -1.18 0.00 0.00 61.69 61.29 1sg0 s THR 151 Cb -0.17 -3.36 0.25 0.00 1.34 0.00 0.00 72.50 70.56 1sg0 s THR 151 CO 0.32 -0.43 1.89 0.00 -0.54 0.00 0.00 174.62 175.85 1sg0 h ALA 152 N -0.52 1.28 -0.96 3.99 0.00 -1.93 -1.82 119.26 119.30 1sg0 h ALA 152 Ca -0.45 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.46 1sg0 h ALA 152 Cb 1.27 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1sg0 h ALA 152 CO 0.63 0.45 0.63 0.93 0.00 0.00 0.00 179.25 181.89 1sg0 h GLU 153 N 1.16 1.18 -0.09 0.00 4.39 -2.00 -1.31 114.58 117.91 1sg0 h GLU 153 Ca 0.39 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.93 1sg0 h GLU 153 Cb 0.07 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1sg0 h GLU 153 CO -0.14 0.78 -0.33 0.52 -1.16 0.00 0.00 179.01 178.68 1sg0 h MET 154 N 1.22 0.18 -2.18 2.33 2.86 -1.73 -3.21 114.93 114.40 1sg0 h MET 154 Ca 0.38 -0.07 -0.61 0.00 -2.06 0.00 0.00 59.70 57.34 1sg0 h MET 154 Cb -0.00 -0.01 -0.18 0.00 0.06 0.00 0.00 31.60 31.47 1sg0 h MET 154 CO -0.12 0.50 1.04 0.66 1.06 0.00 0.00 176.91 180.05 1sg0 n TYR 155 N -4.10 2.07 -4.34 -0.22 4.01 -0.49 -1.27 117.16 112.81 1sg0 n TYR 155 Ca -0.01 -2.25 -0.18 0.00 -0.16 0.00 0.00 57.90 55.30 1sg0 n TYR 155 Cb 0.41 -1.47 -0.10 0.00 -0.31 0.00 0.00 39.34 37.87 1sg0 n TYR 155 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1sg0 s THR 156 N -2.36 1.48 0.20 -0.72 -4.23 -0.90 -2.08 115.64 107.04 1sg0 s THR 156 Ca 0.56 -2.13 -0.17 0.00 -1.18 0.00 0.00 61.69 58.76 1sg0 s THR 156 Cb 0.32 -2.15 0.19 0.00 1.34 0.00 0.00 72.50 72.21 1sg0 s THR 156 CO -0.20 -0.51 1.59 0.11 -0.54 0.00 0.00 174.62 175.07 1sg0 h LYS 157 N 2.53 -0.09 -0.02 3.99 1.57 -1.91 0.40 116.57 123.03 1sg0 h LYS 157 Ca -0.38 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1sg0 h LYS 157 Cb 1.22 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1sg0 h LYS 157 CO 0.64 -0.06 0.00 0.25 -0.57 0.00 0.00 179.45 179.71 1sg0 n THR 158 N -5.45 0.02 -1.70 -0.16 -2.24 -1.26 -4.60 114.28 98.88 1sg0 n THR 158 Ca 0.06 -0.14 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 1sg0 n THR 158 Cb 0.36 0.01 0.06 0.00 -2.10 0.00 0.00 70.33 68.67 1sg0 n THR 158 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1sg0 s GLY 159 N -1.91 1.63 0.47 3.38 0.00 0.14 -4.96 107.32 106.07 1sg0 s GLY 159 Ca 0.40 -0.22 0.21 0.00 0.00 0.00 0.00 44.72 45.11 1sg0 s GLY 159 CO 0.33 0.16 1.98 -0.24 0.00 0.00 0.00 173.10 175.33 1sg0 h VAL 160 N -0.83 0.85 -0.00 1.40 3.04 -1.80 -2.81 116.25 116.11 1sg0 h VAL 160 Ca -0.46 -0.77 0.00 0.00 -1.01 0.00 0.00 66.70 64.47 1sg0 h VAL 160 Cb 1.25 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.98 1sg0 h VAL 160 CO 0.61 0.20 -0.80 0.59 -1.01 0.00 0.00 177.57 177.16 1sg0 n ASN 161 N -3.88 0.84 0.00 3.17 5.03 -0.39 -5.07 115.26 114.96 1sg0 n ASN 161 Ca -0.02 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.69 1sg0 n ASN 161 Cb 0.29 0.70 0.00 0.00 -1.02 0.00 0.00 39.78 39.75 1sg0 n ASN 161 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1sg0 n GLY 162 N 1.50 -1.39 3.76 7.41 0.00 -1.06 -4.88 105.19 110.52 1sg0 n GLY 162 Ca 0.05 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 1sg0 n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sg0 s ASP 163 N -3.98 5.81 0.43 1.61 2.15 -1.09 -2.11 116.67 119.49 1sg0 s ASP 163 Ca 0.00 2.73 0.14 0.00 0.43 0.00 0.00 52.55 55.85 1sg0 s ASP 163 Cb 0.00 -2.64 1.02 0.00 -0.30 0.00 0.00 42.92 41.01 1sg0 s ASP 163 CO 0.00 -1.20 1.98 0.77 -0.17 0.00 0.00 175.17 176.55 1sg0 h SER 164 N 2.09 0.38 0.31 -0.34 4.64 -1.76 -1.27 113.55 117.60 1sg0 h SER 164 Ca -0.50 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 1sg0 h SER 164 Cb 1.27 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1sg0 h SER 164 CO 0.60 0.23 -0.13 0.03 -0.87 0.00 0.00 176.83 176.69 1sg0 h ARG 165 N 0.42 0.00 -0.43 4.77 3.08 -1.88 -3.04 114.38 117.30 1sg0 h ARG 165 Ca 0.28 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.37 1sg0 h ARG 165 Cb 0.55 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 1sg0 h ARG 165 CO -0.08 0.13 0.19 1.88 -1.07 0.00 0.00 179.97 181.02 1sg0 h TYR 166 N 0.00 0.35 0.00 3.04 0.05 -1.37 -2.35 116.97 116.68 1sg0 h TYR 166 Ca -0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1sg0 h TYR 166 Cb 0.32 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1sg0 h TYR 166 CO 0.00 0.17 0.00 1.97 -1.05 0.00 0.00 178.16 179.25 1sg0 n PHE 167 N -4.94 0.00 0.41 4.88 1.16 -1.15 -3.02 117.46 114.80 1sg0 n PHE 167 Ca 0.03 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.73 1sg0 n PHE 167 Cb 0.13 -0.38 0.25 0.00 -1.61 0.00 0.00 39.48 37.86 1sg0 n PHE 167 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1sg0 h LEU 168 N 0.00 0.00 -0.28 5.98 3.38 -1.49 -3.39 115.31 119.52 1sg0 h LEU 168 Ca 0.00 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1sg0 h LEU 168 Cb 0.34 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 1sg0 h LEU 168 CO 0.00 0.01 -0.31 -0.25 0.09 0.00 0.00 178.44 177.99 1sg0 h TRP 169 N 0.00 -0.84 -0.71 1.13 2.91 -1.56 0.22 115.95 117.10 1sg0 h TRP 169 Ca 0.00 0.05 0.01 0.00 1.13 0.00 0.00 58.89 60.07 1sg0 h TRP 169 Cb 0.87 0.41 -0.04 0.00 -0.51 0.00 0.00 29.16 29.90 1sg0 h TRP 169 CO 0.00 -0.37 0.46 -1.35 -1.03 0.00 0.00 178.44 176.15 1sg0 h PRO 170 N -0.30 0.94 0.09 2.65 0.11 -1.84 -0.72 132.00 132.94 1sg0 h PRO 170 Ca 0.14 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 1sg0 h PRO 170 Cb 0.52 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1sg0 h PRO 170 CO -0.45 0.63 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.86 1sg0 h LEU 171 N 0.97 -0.10 -0.12 2.35 3.38 -1.68 -2.09 115.31 118.02 1sg0 h LEU 171 Ca 0.26 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1sg0 h LEU 171 Cb -0.10 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1sg0 h LEU 171 CO -0.06 0.55 -0.22 1.56 0.09 0.00 0.00 178.44 180.36 1sg0 h GLN 172 N -0.93 0.36 0.00 1.13 4.20 -0.62 -1.54 115.11 117.71 1sg0 h GLN 172 Ca -0.01 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 1sg0 h GLN 172 Cb 0.53 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1sg0 h GLN 172 CO 0.02 0.82 -0.51 1.25 -0.67 0.00 0.00 178.83 179.74 1sg0 h HIS 173 N -0.07 0.00 0.00 2.96 2.76 -1.31 0.10 115.15 119.59 1sg0 h HIS 173 Ca 0.01 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1sg0 h HIS 173 Cb 0.81 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.77 1sg0 h HIS 173 CO 0.10 0.21 -0.03 0.78 -1.30 0.00 0.00 177.93 177.69 1sg0 h GLY 174 N -1.00 0.00 0.00 5.26 0.00 -1.25 -2.61 103.07 103.47 1sg0 h GLY 174 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1sg0 h GLY 174 CO -0.03 0.00 -0.09 2.41 0.00 0.00 0.00 176.54 178.83 1sg0 n THR 175 N -3.98 0.31 0.17 4.70 -1.04 -0.81 -4.51 114.28 109.11 1sg0 n THR 175 Ca -0.03 0.22 -0.14 0.00 -2.04 0.00 0.00 64.05 62.06 1sg0 n THR 175 Cb 0.11 -1.35 -0.08 0.00 -1.82 0.00 0.00 70.33 67.19 1sg0 n THR 175 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1sg0 h LEU 176 N -0.09 -0.32 -0.80 -4.42 3.38 -1.28 -2.25 115.31 109.53 1sg0 h LEU 176 Ca 0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1sg0 h LEU 176 Cb 0.09 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1sg0 h LEU 176 CO 0.00 -0.14 0.37 -0.74 0.09 0.00 0.00 178.44 178.02 1sg0 h HIS 177 N -0.49 1.17 -0.76 1.13 2.76 -0.84 -1.75 115.15 116.37 1sg0 h HIS 177 Ca -0.04 -0.07 0.11 0.00 -2.20 0.00 0.00 60.37 58.17 1sg0 h HIS 177 Cb 0.36 -0.36 -0.05 0.00 1.55 0.00 0.00 27.41 28.91 1sg0 h HIS 177 CO -0.03 0.86 0.50 0.35 -1.30 0.00 0.00 177.93 178.31 1sg0 h PHE 178 N 1.14 0.68 -0.02 5.26 3.57 -1.33 0.51 116.94 126.76 1sg0 h PHE 178 Ca 0.27 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1sg0 h PHE 178 Cb 0.15 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1sg0 h PHE 178 CO 0.01 0.31 0.00 0.00 -2.23 0.00 0.00 178.31 176.41 1sg0 n GLY 180 N 1.05 0.25 3.75 0.00 0.00 0.17 -0.58 105.19 109.83 1sg0 n GLY 180 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1sg0 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sg0 s PHE 181 N -2.03 2.36 -0.16 1.61 0.08 -0.73 -3.45 117.98 115.66 1sg0 s PHE 181 Ca 0.00 1.42 -0.15 0.00 0.12 0.00 0.00 56.93 58.32 1sg0 s PHE 181 Cb 0.00 -3.70 -0.04 0.00 -0.57 0.00 0.00 43.02 38.71 1sg0 s PHE 181 CO 0.00 -2.63 0.36 0.15 -0.10 0.00 0.00 175.22 173.01 1sg0 s LYS 182 N -2.97 4.26 -0.30 0.44 1.02 -0.24 -4.35 119.74 117.60 1sg0 s LYS 182 Ca 0.72 0.21 -0.12 0.00 0.02 0.00 0.00 55.97 56.80 1sg0 s LYS 182 Cb -0.37 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.44 1sg0 s LYS 182 CO 0.43 0.15 0.23 0.08 -0.92 0.00 0.00 175.35 175.33 1sg0 s VAL 183 N 0.72 5.28 0.60 3.17 1.01 -1.26 -1.44 120.40 128.48 1sg0 s VAL 183 Ca 0.19 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 1sg0 s VAL 183 Cb -0.14 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1sg0 s VAL 183 CO 0.06 0.15 1.02 -0.76 0.00 0.00 0.00 175.10 175.58 1sg0 s LEU 184 N 1.80 3.32 0.30 3.92 1.43 -0.05 0.02 118.68 129.42 1sg0 s LEU 184 Ca 0.08 1.46 -0.29 0.00 -1.03 0.00 0.00 54.13 54.35 1sg0 s LEU 184 Cb -0.16 -4.48 -0.13 0.00 0.03 0.00 0.00 46.19 41.45 1sg0 s LEU 184 CO 0.11 -0.82 1.35 0.00 0.23 0.00 0.00 176.35 177.22 1sg0 n ALA 185 N -2.48 1.28 -1.55 4.21 0.00 -1.26 -4.66 120.51 116.06 1sg0 n ALA 185 Ca 0.06 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.55 1sg0 n ALA 185 Cb 0.54 -2.27 0.04 0.00 0.00 0.00 0.00 19.45 17.76 1sg0 n ALA 185 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sg0 s PRO 186 N -1.18 2.82 -0.37 0.00 0.04 -1.26 -4.72 135.00 130.33 1sg0 s PRO 186 Ca 0.61 1.52 -0.07 0.00 0.04 0.00 0.00 61.00 63.10 1sg0 s PRO 186 Cb -0.60 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.05 1sg0 s PRO 186 CO 0.56 -1.26 0.16 -1.14 0.04 0.00 0.00 177.00 175.36 1sg0 s GLN 187 N -3.86 2.58 -0.29 4.56 2.00 0.11 -5.00 119.66 119.75 1sg0 s GLN 187 Ca 0.70 -1.30 -0.05 0.00 -2.00 0.00 0.00 55.36 52.71 1sg0 s GLN 187 Cb -0.23 -3.56 0.02 0.00 0.80 0.00 0.00 33.01 30.04 1sg0 s GLN 187 CO 0.39 -0.77 0.03 0.42 -0.50 0.00 0.00 175.29 174.86 1sg0 s ILE 188 N 1.39 3.53 -0.63 -2.34 1.01 -1.26 -0.44 121.20 122.46 1sg0 s ILE 188 Ca 0.00 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.57 1sg0 s ILE 188 Cb -0.21 -2.86 0.14 0.00 0.01 0.00 0.00 42.46 39.54 1sg0 s ILE 188 CO 0.02 0.06 0.65 -0.44 0.00 0.00 0.00 174.94 175.23 1sg0 s SER 189 N 1.41 6.31 0.19 3.58 0.01 0.66 -5.00 113.70 120.85 1sg0 s SER 189 Ca 0.00 -1.84 -0.30 0.00 1.31 0.00 0.00 55.95 55.13 1sg0 s SER 189 Cb -0.18 -2.25 -0.08 0.00 0.21 0.00 0.00 66.02 63.72 1sg0 s SER 189 CO 0.00 -0.91 1.24 -0.36 0.41 0.00 0.00 173.24 173.62 1sg0 s PHE 190 N 1.78 3.36 -0.45 2.43 0.08 -1.26 -2.51 117.98 121.40 1sg0 s PHE 190 Ca 0.10 1.34 -0.06 0.00 0.12 0.00 0.00 56.93 58.43 1sg0 s PHE 190 Cb -0.23 -3.49 0.01 0.00 -0.57 0.00 0.00 43.02 38.73 1sg0 s PHE 190 CO 0.01 -1.46 0.29 0.00 -0.10 0.00 0.00 175.22 173.97 1sg0 n ALA 191 N 2.59 -1.82 0.23 5.36 0.00 -0.91 -4.84 120.51 121.13 1sg0 n ALA 191 Ca 0.05 -0.19 0.09 0.00 0.00 0.00 0.00 53.44 53.39 1sg0 n ALA 191 Cb 0.44 -0.63 0.57 0.00 0.00 0.00 0.00 19.45 19.83 1sg0 n ALA 191 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1sg0 h PRO 192 N 0.39 0.00 -0.09 0.00 0.13 -1.78 -1.98 132.00 128.68 1sg0 h PRO 192 Ca -0.32 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.72 1sg0 h PRO 192 Cb 0.66 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1sg0 h PRO 192 CO 0.20 0.21 -0.35 0.93 -0.23 0.00 0.00 178.00 178.75 1sg0 h GLU 193 N 0.00 0.18 0.00 0.86 5.08 -1.88 -2.89 114.58 115.92 1sg0 h GLU 193 Ca -0.00 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.08 1sg0 h GLU 193 Cb 0.47 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1sg0 h GLU 193 CO 0.03 0.51 -1.28 0.82 -1.00 0.00 0.00 179.01 178.09 1sg0 h ILE 194 N 0.15 0.93 -4.28 3.13 2.04 -1.81 -3.47 117.51 114.20 1sg0 h ILE 194 Ca 0.02 -2.57 -0.52 0.00 1.00 0.00 0.00 64.86 62.79 1sg0 h ILE 194 Cb 0.70 2.39 0.18 0.00 -0.74 0.00 0.00 36.82 39.36 1sg0 h ILE 194 CO 0.05 0.53 0.25 0.00 0.00 0.00 0.00 178.15 178.98 1sg0 s ALA 195 N -2.78 1.66 0.76 1.87 0.00 -0.78 -5.03 121.76 117.46 1sg0 s ALA 195 Ca -0.02 0.53 -0.07 0.00 0.00 0.00 0.00 51.96 52.40 1sg0 s ALA 195 Cb 0.09 -3.41 0.11 0.00 0.00 0.00 0.00 23.12 19.90 1sg0 s ALA 195 CO 0.81 -2.53 1.07 -1.54 0.00 0.00 0.00 175.76 173.57 1sg0 s SER 196 N -2.82 4.32 0.16 0.00 1.04 -1.26 -4.82 113.70 110.31 1sg0 s SER 196 Ca 0.66 0.18 -0.16 0.00 0.48 0.00 0.00 55.95 57.10 1sg0 s SER 196 Cb -0.22 -0.63 0.07 0.00 0.10 0.00 0.00 66.02 65.35 1sg0 s SER 196 CO 0.57 -1.91 1.74 -0.08 0.98 0.00 0.00 173.24 174.55 1sg0 h GLU 197 N -0.79 0.24 -0.43 4.02 4.57 -1.96 0.49 114.58 120.73 1sg0 h GLU 197 Ca -0.42 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.71 1sg0 h GLU 197 Cb 1.28 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 1sg0 h GLU 197 CO 0.50 0.16 0.16 0.93 -1.18 0.00 0.00 179.01 179.57 1sg0 h GLU 198 N 0.25 0.65 -0.86 1.92 3.07 -1.99 -1.85 114.58 115.78 1sg0 h GLU 198 Ca 0.17 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 1sg0 h GLU 198 Cb 0.16 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 27.93 1sg0 h GLU 198 CO -0.19 0.62 0.47 0.93 -1.40 0.00 0.00 179.01 179.44 1sg0 h GLU 199 N 0.55 1.20 -0.19 2.33 5.08 -1.81 0.82 114.58 122.56 1sg0 h GLU 199 Ca 0.14 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1sg0 h GLU 199 Cb 0.22 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1sg0 h GLU 199 CO -0.01 0.88 0.05 0.00 -1.00 0.00 0.00 179.01 178.93 1sg0 h ARG 200 N 1.20 0.30 -0.29 2.33 3.08 -0.70 -1.02 114.38 119.28 1sg0 h ARG 200 Ca 0.30 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 1sg0 h ARG 200 Cb 0.03 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1sg0 h ARG 200 CO -0.05 0.43 0.07 0.87 -1.07 0.00 0.00 179.97 180.22 1sg0 h LYS 201 N 0.12 0.41 -0.41 0.04 1.57 -1.04 -2.11 116.57 115.15 1sg0 h LYS 201 Ca 0.06 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1sg0 h LYS 201 Cb 0.26 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1sg0 h LYS 201 CO 0.00 0.39 0.10 0.78 -0.57 0.00 0.00 179.45 180.15 1sg0 h GLY 202 N 0.64 0.71 1.46 3.86 0.00 -0.31 -0.51 103.07 108.92 1sg0 h GLY 202 Ca 0.10 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 1sg0 h GLY 202 CO -0.00 0.42 -0.09 -0.33 0.00 0.00 0.00 176.54 176.53 1sg0 h MET 203 N 0.53 0.65 -0.20 4.80 2.86 -0.72 -0.28 114.93 122.57 1sg0 h MET 203 Ca 0.13 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1sg0 h MET 203 Cb 0.31 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1sg0 h MET 203 CO 0.00 0.73 -0.07 0.28 1.06 0.00 0.00 176.91 178.92 1sg0 h VAL 204 N 0.60 1.29 -0.40 -2.22 2.07 -1.20 -2.54 116.25 113.86 1sg0 h VAL 204 Ca 0.11 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1sg0 h VAL 204 Cb 0.51 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1sg0 h VAL 204 CO 0.03 0.33 0.05 0.00 0.02 0.00 0.00 177.57 178.00 1sg0 h ALA 205 N 0.72 1.36 -0.57 1.67 0.00 -0.88 -1.86 119.26 119.70 1sg0 h ALA 205 Ca 0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1sg0 h ALA 205 Cb 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1sg0 h ALA 205 CO 0.02 0.45 0.13 0.00 0.00 0.00 0.00 179.25 179.85 1sg0 h ALA 206 N 1.48 1.16 0.14 0.00 0.00 -0.92 0.17 119.26 121.29 1sg0 h ALA 206 Ca 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1sg0 h ALA 206 Cb 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sg0 h ALA 206 CO 0.00 0.57 -0.07 2.35 0.00 0.00 0.00 179.25 182.11 1sg0 h TRP 207 N 0.84 -0.17 -0.78 0.00 -0.00 -1.00 -0.37 115.95 114.47 1sg0 h TRP 207 Ca 0.18 -0.00 0.04 0.00 -0.00 0.00 0.00 58.89 59.10 1sg0 h TRP 207 Cb 0.32 0.06 -0.05 0.00 -0.00 0.00 0.00 29.16 29.49 1sg0 h TRP 207 CO 0.02 0.18 0.49 0.66 -0.00 0.00 0.00 178.44 179.79 1sg0 h SER 208 N -0.55 0.81 -0.57 2.65 4.64 -1.20 -1.21 113.55 118.12 1sg0 h SER 208 Ca -0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1sg0 h SER 208 Cb 0.43 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 1sg0 h SER 208 CO 0.03 0.55 0.30 -0.61 -0.87 0.00 0.00 176.83 176.23 1sg0 h GLN 209 N 0.95 0.80 -0.79 4.77 4.15 -0.58 -2.63 115.11 121.78 1sg0 h GLN 209 Ca 0.32 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.61 1sg0 h GLN 209 Cb 0.04 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.54 1sg0 h GLN 209 CO -0.12 0.63 0.38 -0.09 -1.93 0.00 0.00 178.83 177.70 1sg0 h ARG 210 N 0.77 1.14 0.00 1.69 2.43 -0.42 -2.51 114.38 117.48 1sg0 h ARG 210 Ca 0.20 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1sg0 h ARG 210 Cb 0.07 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1sg0 h ARG 210 CO -0.03 0.88 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.22 1sg0 h LEU 211 N 1.12 0.00 -1.49 3.80 3.38 -0.88 -2.01 115.31 119.23 1sg0 h LEU 211 Ca 0.27 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.32 1sg0 h LEU 211 Cb 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1sg0 h LEU 211 CO -0.03 0.02 0.44 1.56 0.09 0.00 0.00 178.44 180.51 1sg0 h GLN 212 N 0.00 0.59 -0.04 1.13 4.20 -1.23 -2.70 115.11 117.05 1sg0 h GLN 212 Ca -0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1sg0 h GLN 212 Cb 0.04 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1sg0 h GLN 212 CO 0.00 0.39 -0.10 0.25 -0.67 0.00 0.00 178.83 178.70 1sg0 n THR 213 N -4.48 2.03 0.04 -0.54 -2.24 -0.79 -4.77 114.28 103.52 1sg0 n THR 213 Ca 0.10 -2.45 0.11 0.00 -2.27 0.00 0.00 64.05 59.54 1sg0 n THR 213 Cb 0.28 -0.25 0.56 0.00 -2.10 0.00 0.00 70.33 68.82 1sg0 n THR 213 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1sg0 h ILE 214 N 0.43 0.94 0.00 2.28 6.09 -1.11 -1.39 117.51 124.75 1sg0 h ILE 214 Ca 0.01 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.41 1sg0 h ILE 214 Cb 1.08 0.66 0.00 0.00 0.47 0.00 0.00 36.82 39.02 1sg0 h ILE 214 CO 0.04 0.05 0.00 0.79 -3.07 0.00 0.00 178.15 175.96 1sg0 n TRP 215 N -4.47 0.00 0.95 2.19 7.02 -1.26 -2.42 117.44 119.44 1sg0 n TRP 215 Ca 0.05 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.63 1sg0 n TRP 215 Cb 0.28 -0.33 -0.01 0.00 -2.42 0.00 0.00 31.31 28.82 1sg0 n TRP 215 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1sg0 n LYS 216 N -1.33 1.25 -2.35 -0.99 5.02 -0.52 -4.99 118.16 114.24 1sg0 n LYS 216 Ca 0.09 -0.91 -0.33 0.00 -2.02 0.00 0.00 58.31 55.14 1sg0 n LYS 216 Cb 0.20 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 1sg0 n LYS 216 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1sg0 s GLU 217 N -2.40 3.66 0.06 1.97 2.02 -1.01 -5.07 118.70 117.93 1sg0 s GLU 217 Ca 0.17 1.23 0.01 0.00 0.02 0.00 0.00 54.97 56.41 1sg0 s GLU 217 Cb 0.17 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.28 1sg0 s GLU 217 CO 0.56 -0.53 0.12 -1.21 0.02 0.00 0.00 175.26 174.22 1sg0 s GLU 218 N -3.66 3.08 0.74 1.61 0.41 -1.26 -5.10 118.70 114.51 1sg0 s GLU 218 Ca 0.64 -0.58 -0.11 0.00 -0.41 0.00 0.00 54.97 54.51 1sg0 s GLU 218 Cb -0.15 -2.84 0.04 0.00 -1.78 0.00 0.00 34.13 29.39 1sg0 s GLU 218 CO 0.27 0.59 1.08 -1.25 -0.49 0.00 0.00 175.26 175.47 1sg0 s PRO 219 N -2.31 2.54 0.62 0.39 0.04 -1.26 -4.64 135.00 130.38 1sg0 s PRO 219 Ca 0.30 0.68 -0.10 0.00 0.04 0.00 0.00 61.00 61.93 1sg0 s PRO 219 Cb -0.12 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 1sg0 s PRO 219 CO 0.22 -1.31 1.00 0.96 0.04 0.00 0.00 177.00 177.91 1sg0 s ILE 220 N -3.17 4.23 -0.77 0.56 -4.36 0.10 -4.96 121.20 112.82 1sg0 s ILE 220 Ca 0.59 0.55 -0.24 0.00 -0.26 0.00 0.00 60.65 61.29 1sg0 s ILE 220 Cb -0.13 -3.70 0.06 0.00 1.25 0.00 0.00 42.46 39.94 1sg0 s ILE 220 CO 0.54 -0.86 1.19 -2.84 0.24 0.00 0.00 174.94 173.21 1sg0 s PRO 221 N -5.15 3.26 -1.09 0.37 0.02 -1.26 -4.67 135.00 126.48 1sg0 s PRO 221 Ca 0.55 -0.71 -0.21 0.00 0.02 0.00 0.00 61.00 60.65 1sg0 s PRO 221 Cb -0.11 -4.45 -0.07 0.00 0.02 0.00 0.00 34.50 29.89 1sg0 s PRO 221 CO 0.51 -2.01 1.94 0.00 -0.33 0.00 0.00 177.00 177.10 1sg0 s THR 223 N 6.86 1.20 0.27 0.00 -4.23 -1.26 -4.94 115.64 113.53 1sg0 s THR 223 Ca 0.60 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.08 1sg0 s THR 223 Cb 0.07 -2.78 0.20 0.00 1.34 0.00 0.00 72.50 71.33 1sg0 s THR 223 CO 0.09 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 176.05 1sg0 h ALA 224 N 2.08 1.26 -0.67 3.99 0.00 -1.97 -2.57 119.26 121.39 1sg0 h ALA 224 Ca -0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1sg0 h ALA 224 Cb 1.25 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1sg0 h ALA 224 CO 0.70 0.57 0.33 1.25 0.00 0.00 0.00 179.25 182.10 1sg0 h HIS 225 N 1.01 0.95 -0.60 0.00 -0.00 -1.93 0.40 115.15 114.98 1sg0 h HIS 225 Ca 0.25 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.57 1sg0 h HIS 225 Cb 0.10 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.18 1sg0 h HIS 225 CO 0.01 0.70 0.34 2.35 -0.00 0.00 0.00 177.93 181.33 1sg0 h TRP 226 N 0.92 0.81 0.01 5.26 7.01 -1.71 0.73 115.95 128.98 1sg0 h TRP 226 Ca 0.23 -0.01 -0.24 0.00 2.11 0.00 0.00 58.89 60.98 1sg0 h TRP 226 Cb 0.10 -0.26 0.01 0.00 -2.10 0.00 0.00 29.16 26.90 1sg0 h TRP 226 CO 0.00 0.57 -1.00 0.45 -2.79 0.00 0.00 178.44 175.67 1sg0 h HIS 227 N 0.81 0.74 0.00 2.65 3.86 -1.09 -3.40 115.15 118.73 1sg0 h HIS 227 Ca 0.21 -0.41 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1sg0 h HIS 227 Cb 0.02 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1sg0 h HIS 227 CO -0.01 1.24 0.00 1.19 0.86 0.00 0.00 177.93 181.21 1sg0 n PHE 228 N -3.76 0.00 0.00 2.45 3.72 0.14 -4.10 117.46 115.90 1sg0 n PHE 228 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1sg0 n PHE 228 Cb 0.87 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.41 1sg0 n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sg0 n GLY 229 N 0.91 2.76 3.51 1.37 0.00 0.25 -4.99 105.19 109.00 1sg0 n GLY 229 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1sg0 n GLY 229 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14