#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i30 n PHE 3 N 0.00 0.00 -0.01 1.61 1.16 -1.19 -2.81 117.46 116.22 1i30 n PHE 3 Ca 0.00 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.60 1i30 n PHE 3 Cb 0.00 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 37.91 1i30 n PHE 3 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1i30 n LEU 4 N -0.70 2.08 -4.71 5.98 4.77 -0.68 -4.57 117.00 119.17 1i30 n LEU 4 Ca 0.09 -1.78 -0.43 0.00 -0.03 0.00 0.00 56.01 53.87 1i30 n LEU 4 Cb 0.04 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1i30 n LEU 4 CO 0.07 0.51 1.33 -1.20 -1.33 0.00 0.00 177.39 176.77 1i30 n SER 5 N -0.08 3.86 0.00 -1.43 7.64 -1.01 -1.92 113.62 120.67 1i30 n SER 5 Ca 0.03 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1i30 n SER 5 Cb 0.26 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 61.90 1i30 n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i30 n GLY 6 N 3.66 0.75 3.68 0.23 0.00 -1.25 -4.99 105.19 107.27 1i30 n GLY 6 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1i30 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i30 s LYS 7 N -0.56 2.86 -0.24 1.61 -0.14 -0.81 -5.02 119.74 117.44 1i30 s LYS 7 Ca 0.00 -0.53 -0.03 0.00 -1.36 0.00 0.00 55.97 54.05 1i30 s LYS 7 Cb 0.00 -2.71 0.01 0.00 -1.68 0.00 0.00 37.83 33.45 1i30 s LYS 7 CO 0.00 0.66 -0.04 1.03 -0.76 0.00 0.00 175.35 176.24 1i30 s ARG 8 N -1.27 3.08 -0.09 1.68 0.52 -1.26 -1.19 118.95 120.42 1i30 s ARG 8 Ca 0.17 -0.82 0.03 0.00 -0.52 0.00 0.00 55.73 54.58 1i30 s ARG 8 Cb -0.11 -3.04 0.01 0.00 0.52 0.00 0.00 34.95 32.33 1i30 s ARG 8 CO 0.07 -0.33 -0.16 0.42 0.02 0.00 0.00 175.30 175.32 1i30 s ILE 9 N 1.41 1.46 -0.05 1.52 -1.09 -0.63 0.33 121.20 124.15 1i30 s ILE 9 Ca 0.03 -0.65 -0.17 0.00 -2.23 0.00 0.00 60.65 57.62 1i30 s ILE 9 Cb -0.16 -1.31 -0.05 0.00 -1.58 0.00 0.00 42.46 39.36 1i30 s ILE 9 CO -0.03 0.43 0.47 -0.22 -1.23 0.00 0.00 174.94 174.36 1i30 s LEU 10 N 0.68 4.39 -0.17 2.97 2.96 -0.96 -2.21 118.68 126.34 1i30 s LEU 10 Ca -0.13 0.95 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 1i30 s LEU 10 Cb -0.16 -2.70 0.03 0.00 0.50 0.00 0.00 46.19 43.86 1i30 s LEU 10 CO 0.04 0.15 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.40 1i30 s VAL 11 N -0.24 1.60 0.47 1.68 1.01 0.71 -0.17 120.40 125.46 1i30 s VAL 11 Ca 0.26 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.56 1i30 s VAL 11 Cb -0.16 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.68 1i30 s VAL 11 CO 0.13 0.37 0.59 0.42 0.00 0.00 0.00 175.10 176.61 1i30 s THR 12 N 1.46 2.67 0.00 3.92 -4.23 -1.01 -2.42 115.64 116.02 1i30 s THR 12 Ca 0.03 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1i30 s THR 12 Cb -0.14 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1i30 s THR 12 CO -0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1i30 n GLY 13 N -1.90 0.44 3.56 3.99 0.00 -1.26 -4.17 105.19 105.85 1i30 n GLY 13 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1i30 n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i30 s VAL 14 N -2.20 3.61 -0.69 1.61 1.01 -1.26 -4.67 120.40 117.81 1i30 s VAL 14 Ca 0.00 0.43 0.12 0.00 0.00 0.00 0.00 61.98 62.53 1i30 s VAL 14 Cb 0.00 -4.37 -0.11 0.00 0.00 0.00 0.00 36.38 31.91 1i30 s VAL 14 CO 0.00 -1.24 0.55 0.00 0.00 0.00 0.00 175.10 174.41 1i30 n ALA 15 N 10.65 3.45 -3.71 5.51 0.00 -1.26 -4.88 120.51 130.27 1i30 n ALA 15 Ca 0.13 -0.37 0.01 0.00 0.00 0.00 0.00 53.44 53.21 1i30 n ALA 15 Cb 0.50 -0.44 -0.00 0.00 0.00 0.00 0.00 19.45 19.51 1i30 n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1i30 s SER 16 N -2.03 -0.05 0.13 0.00 1.04 -1.26 -4.99 113.70 106.54 1i30 s SER 16 Ca 0.06 -0.20 0.17 0.00 0.48 0.00 0.00 55.95 56.46 1i30 s SER 16 Cb 0.09 0.20 0.76 0.00 0.10 0.00 0.00 66.02 67.17 1i30 s SER 16 CO 0.46 -0.38 1.54 0.29 0.98 0.00 0.00 173.24 176.13 1i30 n LYS 17 N -0.58 0.09 0.00 4.02 4.01 -1.26 -1.83 118.16 122.61 1i30 n LYS 17 Ca -0.06 0.37 0.10 0.00 -0.51 0.00 0.00 58.31 58.22 1i30 n LYS 17 Cb 0.62 -1.69 -0.10 0.00 -0.51 0.00 0.00 35.03 33.35 1i30 n LYS 17 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1i30 n LEU 18 N -1.86 0.68 -4.75 -0.35 4.77 -1.26 -4.75 117.00 109.48 1i30 n LEU 18 Ca 0.02 -0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 55.30 1i30 n LEU 18 Cb 0.17 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1i30 n LEU 18 CO 0.15 0.16 1.03 -1.20 -1.33 0.00 0.00 177.39 176.19 1i30 n SER 19 N -1.75 3.20 -0.12 -1.43 7.64 -0.76 -4.72 113.62 115.69 1i30 n SER 19 Ca 0.02 1.14 -0.06 0.00 1.01 0.00 0.00 58.87 60.99 1i30 n SER 19 Cb 0.40 -1.57 0.02 0.00 -1.01 0.00 0.00 64.21 62.05 1i30 n SER 19 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1i30 h ILE 20 N 2.39 0.87 -0.79 0.44 2.04 -1.90 -0.49 117.51 120.06 1i30 h ILE 20 Ca -0.50 -0.09 0.20 0.00 1.00 0.00 0.00 64.86 65.47 1i30 h ILE 20 Cb 1.27 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1i30 h ILE 20 CO 0.61 0.05 0.55 0.00 0.00 0.00 0.00 178.15 179.36 1i30 h ALA 21 N 1.26 2.48 -0.13 1.87 0.00 -1.88 0.24 119.26 123.10 1i30 h ALA 21 Ca 0.18 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1i30 h ALA 21 Cb 0.17 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1i30 h ALA 21 CO -0.19 -0.71 -0.11 -0.92 0.00 0.00 0.00 179.25 177.32 1i30 h TYR 22 N 0.18 0.35 -0.18 0.00 3.20 -1.37 -0.62 116.97 118.53 1i30 h TYR 22 Ca 0.39 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 1i30 h TYR 22 Cb 1.27 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 1i30 h TYR 22 CO -0.00 0.68 0.05 0.78 -1.64 0.00 0.00 178.16 178.03 1i30 h GLY 23 N -0.08 0.26 0.87 1.82 0.00 0.04 -1.18 103.07 104.79 1i30 h GLY 23 Ca 0.02 -0.11 -0.15 0.00 0.00 0.00 0.00 47.33 47.09 1i30 h GLY 23 CO 0.03 0.11 -0.56 -2.22 0.00 0.00 0.00 176.54 173.90 1i30 h ILE 24 N 0.24 1.38 -0.50 2.60 2.04 -0.77 -2.99 117.51 119.51 1i30 h ILE 24 Ca 0.06 -1.92 -0.01 0.00 1.00 0.00 0.00 64.86 63.99 1i30 h ILE 24 Cb 0.09 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1i30 h ILE 24 CO -0.00 0.57 0.26 0.00 0.00 0.00 0.00 178.15 178.98 1i30 h ALA 25 N 0.43 0.65 -0.38 1.87 0.00 -0.74 -0.87 119.26 120.21 1i30 h ALA 25 Ca -0.05 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.83 1i30 h ALA 25 Cb 1.22 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1i30 h ALA 25 CO 0.11 0.19 -0.13 1.96 0.00 0.00 0.00 179.25 181.38 1i30 h GLN 26 N 0.67 -0.05 -0.46 0.00 4.20 -1.26 -0.10 115.11 118.10 1i30 h GLN 26 Ca 0.17 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.78 1i30 h GLN 26 Cb 0.08 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1i30 h GLN 26 CO -0.03 -0.04 -0.16 0.00 -0.67 0.00 0.00 178.83 177.94 1i30 h ALA 27 N 1.28 0.84 -0.31 3.87 0.00 -1.33 -0.30 119.26 123.31 1i30 h ALA 27 Ca 0.19 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1i30 h ALA 27 Cb 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1i30 h ALA 27 CO -0.42 0.65 -0.39 0.52 0.00 0.00 0.00 179.25 179.61 1i30 h MET 28 N 0.79 0.75 0.04 0.00 2.86 -0.82 -1.89 114.93 116.65 1i30 h MET 28 Ca 0.12 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1i30 h MET 28 Cb 0.70 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1i30 h MET 28 CO 0.05 1.00 -0.02 1.25 1.06 0.00 0.00 176.91 180.26 1i30 h HIS 29 N 0.61 -0.04 -1.00 -0.22 6.17 -0.87 -0.63 115.15 119.17 1i30 h HIS 29 Ca 0.05 -0.00 0.22 0.00 0.71 0.00 0.00 60.37 61.35 1i30 h HIS 29 Cb 0.94 0.01 -0.12 0.00 2.52 0.00 0.00 27.41 30.76 1i30 h HIS 29 CO 0.05 0.11 0.59 -0.09 0.71 0.00 0.00 177.93 179.30 1i30 h ARG 30 N -0.19 0.63 -0.12 5.26 2.43 -0.91 0.69 114.38 122.19 1i30 h ARG 30 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1i30 h ARG 30 Cb 0.17 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1i30 h ARG 30 CO 0.01 0.42 0.00 0.39 -1.51 0.00 0.00 179.97 179.28 1i30 n GLU 31 N -4.84 1.30 -0.67 0.20 -0.58 -0.72 -4.57 120.64 110.76 1i30 n GLU 31 Ca 0.25 -0.46 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 1i30 n GLU 31 Cb 0.66 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 30.38 1i30 n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i30 n GLY 32 N 0.76 0.59 3.81 0.62 0.00 0.24 -1.50 105.19 109.71 1i30 n GLY 32 Ca 0.07 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1i30 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i30 s ALA 33 N -2.00 3.44 -0.15 4.61 0.00 -0.28 -3.75 121.76 123.63 1i30 s ALA 33 Ca 0.00 0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.85 1i30 s ALA 33 Cb 0.00 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1i30 s ALA 33 CO 0.00 0.33 0.98 -1.21 0.00 0.00 0.00 175.76 175.86 1i30 s GLU 34 N -1.79 4.36 0.32 0.00 2.02 -0.33 -4.46 118.70 118.82 1i30 s GLU 34 Ca 0.41 1.31 0.07 0.00 0.02 0.00 0.00 54.97 56.78 1i30 s GLU 34 Cb -0.18 -3.57 -0.03 0.00 0.10 0.00 0.00 34.13 30.46 1i30 s GLU 34 CO 0.21 -0.39 0.29 -0.51 0.02 0.00 0.00 175.26 174.89 1i30 s LEU 35 N 2.30 3.68 -0.10 1.80 1.43 -1.26 -1.60 118.68 124.92 1i30 s LEU 35 Ca 0.45 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.01 1i30 s LEU 35 Cb -0.17 -2.29 0.03 0.00 0.03 0.00 0.00 46.19 43.78 1i30 s LEU 35 CO 0.14 -0.30 0.33 0.00 0.23 0.00 0.00 176.35 176.75 1i30 s ALA 36 N -2.26 -0.83 0.20 4.21 0.00 -0.94 -4.70 121.76 117.46 1i30 s ALA 36 Ca 0.40 0.82 0.08 0.00 0.00 0.00 0.00 51.96 53.25 1i30 s ALA 36 Cb -0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1i30 s ALA 36 CO 0.27 -0.18 -0.15 -0.06 0.00 0.00 0.00 175.76 175.64 1i30 s PHE 37 N -0.15 1.72 0.29 0.00 0.40 0.10 -0.21 117.98 120.13 1i30 s PHE 37 Ca -0.03 -0.57 0.07 0.00 -0.60 0.00 0.00 56.93 55.80 1i30 s PHE 37 Cb -0.03 -0.80 -0.06 0.00 0.51 0.00 0.00 43.02 42.64 1i30 s PHE 37 CO 0.01 0.36 -0.05 0.95 0.70 0.00 0.00 175.22 177.20 1i30 s THR 38 N -2.95 1.65 -0.03 0.64 -4.23 -1.02 -0.69 115.64 109.01 1i30 s THR 38 Ca 0.22 -2.12 -0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1i30 s THR 38 Cb -0.01 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.34 1i30 s THR 38 CO 0.07 -0.27 0.08 -0.72 -0.54 0.00 0.00 174.62 173.24 1i30 s TYR 39 N -3.01 -0.08 0.16 3.99 1.13 -0.27 -4.49 117.35 114.79 1i30 s TYR 39 Ca 0.30 0.20 -0.15 0.00 -1.41 0.00 0.00 57.07 56.01 1i30 s TYR 39 Cb 0.04 0.03 0.05 0.00 -1.10 0.00 0.00 41.96 40.98 1i30 s TYR 39 CO 0.12 -0.05 1.81 0.37 -2.51 0.00 0.00 175.55 175.29 1i30 h GLN 40 N 5.97 0.51 -3.75 -3.49 4.15 -1.90 -1.16 115.11 115.45 1i30 h GLN 40 Ca -0.25 -0.03 -0.16 0.00 0.77 0.00 0.00 58.65 58.98 1i30 h GLN 40 Cb 1.20 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.71 1i30 h GLN 40 CO 0.46 0.34 -0.07 0.54 -1.93 0.00 0.00 178.83 178.17 1i30 s ASN 41 N -5.54 0.45 0.24 -0.69 2.20 -1.26 -4.25 114.94 106.09 1i30 s ASN 41 Ca -0.13 -1.26 -0.05 0.00 -0.94 0.00 0.00 52.86 50.48 1i30 s ASN 41 Cb 0.12 0.69 0.39 0.00 -2.00 0.00 0.00 41.25 40.45 1i30 s ASN 41 CO 0.73 -1.35 1.80 0.44 -2.94 0.00 0.00 177.10 175.78 1i30 h ASP 42 N 2.12 0.62 0.00 3.54 3.32 -2.01 -1.69 116.42 122.33 1i30 h ASP 42 Ca -0.28 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1i30 h ASP 42 Cb 1.24 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1i30 h ASP 42 CO 0.38 0.35 0.51 0.50 -1.72 0.00 0.00 179.24 179.26 1i30 h LYS 43 N 0.74 0.00 -0.00 3.56 3.64 -2.01 -0.07 116.57 122.43 1i30 h LYS 43 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1i30 h LYS 43 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1i30 h LYS 43 CO -0.26 0.00 -0.16 1.28 -2.27 0.00 0.00 179.45 178.04 1i30 n LEU 44 N -2.42 0.54 0.00 5.20 4.32 -0.64 -4.89 117.00 119.11 1i30 n LEU 44 Ca -0.01 -0.63 0.00 0.00 -0.02 0.00 0.00 56.01 55.35 1i30 n LEU 44 Cb 0.54 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 1i30 n LEU 44 CO 0.07 0.12 0.00 1.17 -1.22 0.00 0.00 177.39 177.53 1i30 n LYS 45 N -0.74 0.00 -0.06 3.23 4.81 -0.04 -1.13 118.16 124.23 1i30 n LYS 45 Ca 0.01 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.46 1i30 n LYS 45 Cb 0.09 -0.40 0.02 0.00 0.02 0.00 0.00 35.03 34.76 1i30 n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i30 n GLY 46 N 0.00 -0.30 0.27 3.14 0.00 -1.26 0.30 105.19 107.34 1i30 n GLY 46 Ca 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 1i30 n GLY 46 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1i30 h ARG 47 N 0.00 0.81 0.00 1.61 -0.00 -1.87 -1.36 114.38 113.57 1i30 h ARG 47 Ca 0.07 -0.05 -0.04 0.00 -0.00 0.00 0.00 59.98 59.96 1i30 h ARG 47 Cb 0.11 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.97 29.89 1i30 h ARG 47 CO -0.17 0.54 -0.19 0.28 -0.00 0.00 0.00 179.97 180.43 1i30 h VAL 48 N 0.84 0.40 0.00 0.08 2.07 0.61 -2.78 116.25 117.47 1i30 h VAL 48 Ca 0.29 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.53 1i30 h VAL 48 Cb 0.05 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1i30 h VAL 48 CO -0.12 0.19 -0.43 -0.33 0.02 0.00 0.00 177.57 176.90 1i30 h GLU 49 N 0.00 0.00 -0.04 1.57 5.08 -0.24 -2.59 114.58 118.36 1i30 h GLU 49 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1i30 h GLU 49 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1i30 h GLU 49 CO 0.02 0.43 -0.08 0.93 -1.00 0.00 0.00 179.01 179.31 1i30 h GLU 50 N 0.00 0.12 -0.85 2.33 5.08 -1.12 -2.68 114.58 117.46 1i30 h GLU 50 Ca -0.00 -0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1i30 h GLU 50 Cb 0.84 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.03 1i30 h GLU 50 CO 0.06 0.67 0.50 0.74 -1.00 0.00 0.00 179.01 179.98 1i30 h PHE 51 N -0.42 0.92 -0.73 4.33 0.05 -1.51 -1.62 116.94 117.97 1i30 h PHE 51 Ca -0.00 0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.78 1i30 h PHE 51 Cb 0.67 -0.29 -0.03 0.00 2.00 0.00 0.00 35.95 38.30 1i30 h PHE 51 CO 0.12 0.40 0.30 0.00 -0.18 0.00 0.00 178.31 178.95 1i30 h ALA 52 N 1.45 1.16 -0.73 2.45 0.00 -1.46 -2.39 119.26 119.75 1i30 h ALA 52 Ca 0.40 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1i30 h ALA 52 Cb 0.33 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1i30 h ALA 52 CO -0.23 0.61 0.29 0.00 0.00 0.00 0.00 179.25 179.92 1i30 h ALA 53 N 1.28 1.14 -0.80 0.00 0.00 -0.95 0.85 119.26 120.78 1i30 h ALA 53 Ca 0.25 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1i30 h ALA 53 Cb 0.18 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1i30 h ALA 53 CO -0.02 0.62 0.53 1.96 0.00 0.00 0.00 179.25 182.33 1i30 h GLN 54 N 1.05 1.04 -0.98 0.00 4.20 -0.95 -2.15 115.11 117.32 1i30 h GLN 54 Ca 0.24 -0.06 -0.24 0.00 0.06 0.00 0.00 58.65 58.65 1i30 h GLN 54 Cb 0.20 -0.23 -0.14 0.00 0.30 0.00 0.00 27.48 27.61 1i30 h GLN 54 CO -0.02 0.69 0.30 1.28 -0.67 0.00 0.00 178.83 180.41 1i30 n LEU 55 N -4.54 4.76 -1.72 1.46 4.77 -0.89 -4.84 117.00 116.01 1i30 n LEU 55 Ca 0.08 -2.49 -0.18 0.00 -0.03 0.00 0.00 56.01 53.39 1i30 n LEU 55 Cb 0.02 -0.67 -0.05 0.00 -2.33 0.00 0.00 43.42 40.40 1i30 n LEU 55 CO 0.36 0.75 -0.20 0.61 -1.33 0.00 0.00 177.39 177.57 1i30 n GLY 56 N -0.27 0.77 3.21 -0.72 0.00 -0.81 -4.59 105.19 102.78 1i30 n GLY 56 Ca 0.29 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1i30 n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i30 s SER 57 N -2.51 2.92 -0.23 1.61 0.15 0.29 -4.87 113.70 111.06 1i30 s SER 57 Ca 0.00 -0.51 0.10 0.00 0.70 0.00 0.00 55.95 56.24 1i30 s SER 57 Cb 0.00 -1.15 0.43 0.00 -1.71 0.00 0.00 66.02 63.59 1i30 s SER 57 CO 0.00 0.17 1.24 -0.90 1.20 0.00 0.00 173.24 174.95 1i30 n ASP 58 N 3.36 2.09 -4.20 5.45 5.75 -1.26 -2.43 116.55 125.30 1i30 n ASP 58 Ca -0.19 -3.89 -0.41 0.00 -0.01 0.00 0.00 54.79 50.30 1i30 n ASP 58 Cb 0.53 -0.52 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 1i30 n ASP 58 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1i30 s ILE 59 N -3.37 4.40 -0.26 2.12 1.01 -1.26 -5.03 121.20 118.81 1i30 s ILE 59 Ca 0.40 -2.44 0.01 0.00 0.00 0.00 0.00 60.65 58.62 1i30 s ILE 59 Cb 0.38 -3.83 0.07 0.00 0.01 0.00 0.00 42.46 39.09 1i30 s ILE 59 CO -0.05 -0.89 -0.04 -0.69 0.00 0.00 0.00 174.94 173.27 1i30 s VAL 60 N 0.47 1.68 0.01 2.92 1.01 -1.26 -0.72 120.40 124.51 1i30 s VAL 60 Ca 0.13 -1.43 0.06 0.00 0.00 0.00 0.00 61.98 60.74 1i30 s VAL 60 Cb -0.19 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1i30 s VAL 60 CO -0.04 -0.19 -0.16 -0.76 0.00 0.00 0.00 175.10 173.95 1i30 s LEU 61 N 1.30 2.67 0.25 3.92 1.43 0.13 -4.99 118.68 123.40 1i30 s LEU 61 Ca -0.03 -0.34 -0.28 0.00 -1.03 0.00 0.00 54.13 52.45 1i30 s LEU 61 Cb -0.19 -1.55 -0.09 0.00 0.03 0.00 0.00 46.19 44.39 1i30 s LEU 61 CO -0.08 0.28 0.90 -1.58 0.23 0.00 0.00 176.35 176.11 1i30 s GLN 62 N -1.23 4.70 -0.30 1.70 -0.44 -1.26 -1.11 119.66 121.72 1i30 s GLN 62 Ca 0.14 1.35 -0.13 0.00 -2.50 0.00 0.00 55.36 54.22 1i30 s GLN 62 Cb -0.11 -3.13 0.15 0.00 -1.64 0.00 0.00 33.01 28.28 1i30 s GLN 62 CO 0.04 0.46 0.83 0.00 0.50 0.00 0.00 175.29 177.12 1i30 s ASP 64 N 2.55 5.16 0.00 0.00 -1.08 -1.26 -3.99 116.67 118.05 1i30 s ASP 64 Ca -0.05 -0.43 0.16 0.00 -0.52 0.00 0.00 52.55 51.71 1i30 s ASP 64 Cb -0.08 -1.91 0.69 0.00 -1.46 0.00 0.00 42.92 40.15 1i30 s ASP 64 CO -0.18 -0.11 1.51 1.33 0.52 0.00 0.00 175.17 178.24 1i30 n VAL 65 N 4.91 0.89 0.59 1.11 0.24 -1.26 -2.45 118.33 122.35 1i30 n VAL 65 Ca -0.15 0.22 0.10 0.00 -2.04 0.00 0.00 64.34 62.47 1i30 n VAL 65 Cb 0.50 -0.95 0.41 0.00 -1.47 0.00 0.00 33.84 32.33 1i30 n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i30 n ALA 66 N -1.49 1.83 -3.98 2.33 0.00 -1.26 -4.66 120.51 113.28 1i30 n ALA 66 Ca 0.04 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1i30 n ALA 66 Cb 0.19 -1.32 -0.16 0.00 0.00 0.00 0.00 19.45 18.15 1i30 n ALA 66 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1i30 s GLU 67 N -3.06 2.62 0.17 0.00 0.41 -1.03 -5.02 118.70 112.79 1i30 s GLU 67 Ca 0.08 -0.69 -0.14 0.00 -0.41 0.00 0.00 54.97 53.81 1i30 s GLU 67 Cb 0.11 -2.29 0.07 0.00 -1.78 0.00 0.00 34.13 30.25 1i30 s GLU 67 CO 0.36 -0.18 1.82 -0.44 -0.49 0.00 0.00 175.26 176.33 1i30 h ASP 68 N 7.87 0.52 -0.98 -0.19 3.45 -1.85 -1.93 116.42 123.31 1i30 h ASP 68 Ca -0.40 -0.01 0.08 0.00 0.43 0.00 0.00 57.03 57.14 1i30 h ASP 68 Cb 1.15 -0.12 -0.07 0.00 -0.56 0.00 0.00 39.33 39.73 1i30 h ASP 68 CO 0.57 0.37 0.62 0.00 -1.57 0.00 0.00 179.24 179.23 1i30 h ALA 69 N 1.20 1.39 -0.53 3.45 0.00 -1.95 0.12 119.26 122.94 1i30 h ALA 69 Ca 0.19 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1i30 h ALA 69 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1i30 h ALA 69 CO -0.06 0.35 -0.04 1.03 0.00 0.00 0.00 179.25 180.53 1i30 h SER 70 N 1.09 0.91 -0.14 0.00 0.87 -1.68 -0.13 113.55 114.47 1i30 h SER 70 Ca 0.44 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1i30 h SER 70 Cb 0.26 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1i30 h SER 70 CO -0.20 0.99 -0.01 0.40 -0.53 0.00 0.00 176.83 177.49 1i30 h ILE 71 N 0.85 1.26 -0.69 2.23 2.04 -0.44 -1.79 117.51 120.97 1i30 h ILE 71 Ca 0.15 -0.85 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 1i30 h ILE 71 Cb 0.56 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 1i30 h ILE 71 CO 0.03 0.25 0.28 0.44 0.00 0.00 0.00 178.15 179.15 1i30 h ASP 72 N -0.03 0.96 -0.77 1.72 3.32 -0.70 -1.93 116.42 119.00 1i30 h ASP 72 Ca 0.04 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1i30 h ASP 72 Cb 0.38 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1i30 h ASP 72 CO 0.01 0.87 0.43 0.74 -1.72 0.00 0.00 179.24 179.56 1i30 h THR 73 N 0.99 1.23 -0.60 0.35 2.02 -0.95 -1.25 112.91 114.69 1i30 h THR 73 Ca 0.23 -0.55 -0.10 0.00 0.77 0.00 0.00 66.41 66.76 1i30 h THR 73 Cb 0.21 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1i30 h THR 73 CO -0.02 0.25 -0.01 -0.03 0.37 0.00 0.00 175.52 176.08 1i30 h MET 74 N 1.06 1.08 0.00 6.66 1.85 -1.05 -2.17 114.93 122.35 1i30 h MET 74 Ca 0.27 -0.35 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 1i30 h MET 74 Cb 0.02 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 31.95 1i30 h MET 74 CO -0.05 1.05 0.00 0.74 -0.40 0.00 0.00 176.91 178.26 1i30 h PHE 75 N 0.98 0.00 0.00 1.39 0.05 -1.01 -1.04 116.94 117.31 1i30 h PHE 75 Ca 0.17 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.96 1i30 h PHE 75 Cb 0.58 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.53 1i30 h PHE 75 CO 0.04 0.00 -0.00 0.00 -0.18 0.00 0.00 178.31 178.17 1i30 h ALA 76 N 2.25 -0.01 0.36 2.45 0.00 -0.63 -0.98 119.26 122.70 1i30 h ALA 76 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1i30 h ALA 76 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1i30 h ALA 76 CO 0.00 -0.14 -0.30 0.93 0.00 0.00 0.00 179.25 179.74 1i30 h GLU 77 N -0.73 -0.61 -1.14 0.00 4.39 -1.22 -1.63 114.58 113.65 1i30 h GLU 77 Ca -0.00 0.04 0.41 0.00 0.34 0.00 0.00 59.36 60.15 1i30 h GLU 77 Cb 0.71 0.14 -0.15 0.00 -0.10 0.00 0.00 28.75 29.35 1i30 h GLU 77 CO 0.00 -0.41 0.68 1.25 -1.16 0.00 0.00 179.01 179.37 1i30 h LEU 78 N -0.64 0.33 -2.17 1.33 5.85 -1.29 1.74 115.31 120.47 1i30 h LEU 78 Ca -0.05 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1i30 h LEU 78 Cb 0.54 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1i30 h LEU 78 CO -0.01 -0.27 -0.07 1.23 -0.34 0.00 0.00 178.44 178.98 1i30 h GLY 79 N 0.10 0.00 0.99 3.75 0.00 -0.18 0.30 103.07 108.03 1i30 h GLY 79 Ca 0.82 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 48.09 1i30 h GLY 79 CO -0.59 0.00 0.13 0.50 0.00 0.00 0.00 176.54 176.57 1i30 h LYS 80 N 0.00 0.87 0.00 4.80 1.57 0.29 -2.93 116.57 121.17 1i30 h LYS 80 Ca -0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1i30 h LYS 80 Cb 0.20 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1i30 h LYS 80 CO 0.01 0.82 -1.81 1.55 -0.57 0.00 0.00 179.45 179.45 1i30 n VAL 81 N -4.41 0.10 -3.42 0.50 3.14 -1.04 -4.70 118.33 108.51 1i30 n VAL 81 Ca 0.02 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.64 1i30 n VAL 81 Cb 0.23 -0.04 -0.09 0.00 -1.06 0.00 0.00 33.84 32.89 1i30 n VAL 81 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 1i30 n TRP 82 N -2.31 1.05 0.14 1.45 7.02 0.10 -4.94 117.44 119.94 1i30 n TRP 82 Ca -0.03 -3.76 0.19 0.00 -1.02 0.00 0.00 57.50 52.88 1i30 n TRP 82 Cb 0.56 -0.29 0.74 0.00 -2.42 0.00 0.00 31.31 29.91 1i30 n TRP 82 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1i30 h PRO 83 N 4.69 0.00 -4.03 -0.99 0.13 -1.73 -3.39 132.00 126.68 1i30 h PRO 83 Ca 0.16 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.17 1i30 h PRO 83 Cb 0.81 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.78 1i30 h PRO 83 CO 0.57 0.00 -0.59 0.15 -0.23 0.00 0.00 178.00 177.90 1i30 s LYS 84 N -4.50 0.62 0.34 0.86 -0.14 -1.26 -4.78 119.74 110.88 1i30 s LYS 84 Ca -0.04 -1.00 -0.13 0.00 -1.36 0.00 0.00 55.97 53.44 1i30 s LYS 84 Cb 0.14 0.23 0.05 0.00 -1.68 0.00 0.00 37.83 36.57 1i30 s LYS 84 CO 0.48 -0.14 0.70 1.97 -0.76 0.00 0.00 175.35 177.60 1i30 n PHE 85 N 0.38 -2.15 -1.49 3.18 -1.74 -0.83 -5.00 117.46 109.82 1i30 n PHE 85 Ca -0.16 -1.59 0.05 0.00 -0.56 0.00 0.00 57.45 55.19 1i30 n PHE 85 Cb 0.60 0.80 0.20 0.00 1.52 0.00 0.00 39.48 42.60 1i30 n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1i30 n ASP 86 N -1.45 1.96 0.00 5.98 8.00 0.15 -1.52 116.55 129.67 1i30 n ASP 86 Ca -0.07 -3.75 0.00 0.00 0.71 0.00 0.00 54.79 51.68 1i30 n ASP 86 Cb 0.51 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1i30 n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i30 n GLY 87 N -1.16 0.87 3.34 0.44 0.00 -1.24 -1.81 105.19 105.63 1i30 n GLY 87 Ca 0.21 -2.22 -0.10 0.00 0.00 0.00 0.00 46.02 43.91 1i30 n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1i30 s PHE 88 N -0.95 0.03 -0.27 1.61 -0.12 -1.20 -2.28 117.98 114.80 1i30 s PHE 88 Ca 0.00 -0.38 -0.06 0.00 -0.05 0.00 0.00 56.93 56.44 1i30 s PHE 88 Cb 0.00 0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.54 1i30 s PHE 88 CO 0.00 -0.72 0.05 0.08 -0.05 0.00 0.00 175.22 174.58 1i30 s VAL 89 N -3.87 3.84 -0.57 -2.49 1.01 0.76 -1.58 120.40 117.51 1i30 s VAL 89 Ca 0.08 -0.59 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 1i30 s VAL 89 Cb 0.02 -2.91 0.08 0.00 0.00 0.00 0.00 36.38 33.58 1i30 s VAL 89 CO -0.07 0.19 0.72 -2.28 0.00 0.00 0.00 175.10 173.66 1i30 s HIS 90 N 1.50 2.96 -0.56 5.22 2.46 0.44 -2.39 115.29 124.92 1i30 s HIS 90 Ca 0.04 -0.75 0.06 0.00 0.47 0.00 0.00 55.06 54.87 1i30 s HIS 90 Cb -0.16 -3.92 0.34 0.00 -0.13 0.00 0.00 32.58 28.71 1i30 s HIS 90 CO 0.01 -1.27 0.93 0.45 -2.47 0.00 0.00 174.74 172.39 1i30 n SER 91 N 6.51 4.16 -4.30 9.88 2.88 -1.26 -2.99 113.62 128.50 1i30 n SER 91 Ca -0.08 -3.63 -0.32 0.00 -1.33 0.00 0.00 58.87 53.52 1i30 n SER 91 Cb 0.44 -0.56 -0.16 0.00 -0.75 0.00 0.00 64.21 63.17 1i30 n SER 91 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1i30 s ILE 92 N -4.30 2.24 -0.18 2.46 1.01 -1.26 -4.18 121.20 116.99 1i30 s ILE 92 Ca 0.48 -1.00 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 1i30 s ILE 92 Cb 0.29 -1.83 0.05 0.00 0.01 0.00 0.00 42.46 40.98 1i30 s ILE 92 CO -0.13 0.57 0.48 -0.83 0.00 0.00 0.00 174.94 175.02 1i30 s GLY 93 N -0.20 -0.37 -0.20 6.18 0.00 -1.26 -4.66 107.32 106.81 1i30 s GLY 93 Ca -0.02 1.47 -0.30 0.00 0.00 0.00 0.00 44.72 45.87 1i30 s GLY 93 CO 0.03 1.37 1.10 -0.12 0.00 0.00 0.00 173.10 175.48 1i30 s PHE 94 N 0.60 -0.27 -0.11 1.90 5.36 -1.26 -4.99 117.98 119.21 1i30 s PHE 94 Ca -0.03 0.46 -0.26 0.00 -0.96 0.00 0.00 56.93 56.14 1i30 s PHE 94 Cb -0.05 0.46 0.06 0.00 -0.34 0.00 0.00 43.02 43.16 1i30 s PHE 94 CO -0.04 -0.25 0.63 0.00 -1.46 0.00 0.00 175.22 174.10 1i30 s ALA 95 N -1.09 -1.60 0.19 11.12 0.00 -1.26 -3.96 121.76 125.16 1i30 s ALA 95 Ca 0.01 1.37 -0.33 0.00 0.00 0.00 0.00 51.96 53.02 1i30 s ALA 95 Cb -0.01 -0.35 -0.14 0.00 0.00 0.00 0.00 23.12 22.63 1i30 s ALA 95 CO -0.01 -0.34 1.53 -2.30 0.00 0.00 0.00 175.76 174.64 1i30 n PRO 96 N 1.56 2.16 -0.29 0.00 -0.02 -1.26 -4.84 135.00 132.31 1i30 n PRO 96 Ca -0.18 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1i30 n PRO 96 Cb 0.56 -2.52 0.05 0.00 -0.02 0.00 0.00 33.50 31.58 1i30 n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i30 n GLY 97 N 2.98 -1.52 0.33 -1.23 0.00 -1.26 0.56 105.19 105.06 1i30 n GLY 97 Ca 0.15 0.85 0.22 0.00 0.00 0.00 0.00 46.02 47.24 1i30 n GLY 97 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1i30 h ASP 98 N 0.00 0.45 -0.10 1.61 2.03 -1.98 -2.36 116.42 116.08 1i30 h ASP 98 Ca 0.29 0.19 0.03 0.00 -0.73 0.00 0.00 57.03 56.81 1i30 h ASP 98 Cb 0.48 0.15 -0.00 0.00 -0.83 0.00 0.00 39.33 39.13 1i30 h ASP 98 CO -0.77 -0.13 0.07 1.56 -1.03 0.00 0.00 179.24 178.95 1i30 h GLN 99 N 0.32 0.00 -1.80 4.15 1.08 -0.16 -3.34 115.11 115.36 1i30 h GLN 99 Ca 0.71 0.00 -0.71 0.00 -1.45 0.00 0.00 58.65 57.20 1i30 h GLN 99 Cb 1.58 0.00 -0.26 0.00 -0.05 0.00 0.00 27.48 28.75 1i30 h GLN 99 CO -0.61 0.00 0.94 1.28 -0.95 0.00 0.00 178.83 179.49 1i30 n LEU 100 N -4.49 7.42 -3.63 1.46 4.77 -0.89 -4.46 117.00 117.18 1i30 n LEU 100 Ca -0.01 -4.60 -0.11 0.00 -0.03 0.00 0.00 56.01 51.26 1i30 n LEU 100 Cb 0.19 -1.07 -0.07 0.00 -2.33 0.00 0.00 43.42 40.14 1i30 n LEU 100 CO 0.34 1.69 0.66 -1.81 -1.33 0.00 0.00 177.39 176.95 1i30 s ASP 101 N -1.01 -0.52 0.00 -1.43 1.01 -1.24 -4.73 116.67 108.76 1i30 s ASP 101 Ca 0.55 0.95 0.00 0.00 0.71 0.00 0.00 52.55 54.75 1i30 s ASP 101 Cb 0.44 0.94 0.00 0.00 1.01 0.00 0.00 42.92 45.31 1i30 s ASP 101 CO -0.31 -0.21 0.00 0.61 0.21 0.00 0.00 175.17 175.47 1i30 n GLY 102 N 2.14 -1.43 3.60 0.21 0.00 -1.26 -4.79 105.19 103.66 1i30 n GLY 102 Ca -0.13 -1.54 -0.55 0.00 0.00 0.00 0.00 46.02 43.80 1i30 n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i30 n ASP 103 N -1.43 1.45 0.09 1.61 -0.08 -1.26 -4.46 116.55 112.47 1i30 n ASP 103 Ca 0.00 1.12 -0.12 0.00 -1.51 0.00 0.00 54.79 54.28 1i30 n ASP 103 Cb 0.00 -1.12 -0.06 0.00 2.34 0.00 0.00 41.12 42.28 1i30 n ASP 103 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1i30 h TYR 104 N 4.73 -0.29 0.00 -0.67 3.20 -1.94 -0.79 116.97 121.21 1i30 h TYR 104 Ca -0.48 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.39 1i30 h TYR 104 Cb 1.35 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.74 1i30 h TYR 104 CO 0.62 -0.17 -0.02 0.28 -1.64 0.00 0.00 178.16 177.23 1i30 h VAL 105 N -0.23 0.69 0.04 1.81 2.07 -1.95 -1.58 116.25 117.10 1i30 h VAL 105 Ca 0.02 -0.09 -0.27 0.00 0.82 0.00 0.00 66.70 67.18 1i30 h VAL 105 Cb 0.24 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1i30 h VAL 105 CO -0.06 0.02 -1.41 0.78 0.02 0.00 0.00 177.57 176.92 1i30 h ASN 106 N 0.00 0.13 0.12 0.57 2.35 -1.83 -3.38 115.58 113.54 1i30 h ASN 106 Ca -0.00 -0.18 -0.20 0.00 -0.55 0.00 0.00 56.30 55.37 1i30 h ASN 106 Cb 0.05 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 38.40 1i30 h ASN 106 CO 0.00 1.15 -0.84 0.00 -1.65 0.00 0.00 177.43 176.09 1i30 h ALA 107 N 0.83 -0.06 -2.37 -0.83 0.00 -0.63 -3.47 119.26 112.73 1i30 h ALA 107 Ca -0.18 -0.69 -0.58 0.00 0.00 0.00 0.00 54.91 53.47 1i30 h ALA 107 Cb 1.93 0.09 0.10 0.00 0.00 0.00 0.00 17.79 19.92 1i30 h ALA 107 CO 0.12 0.41 0.45 1.55 0.00 0.00 0.00 179.25 181.79 1i30 n VAL 108 N -4.10 1.77 -4.11 0.00 3.14 -0.64 -4.68 118.33 109.72 1i30 n VAL 108 Ca -0.13 -0.44 -0.11 0.00 -2.96 0.00 0.00 64.34 60.70 1i30 n VAL 108 Cb 0.82 -1.43 -0.11 0.00 -1.06 0.00 0.00 33.84 32.06 1i30 n VAL 108 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1i30 s THR 109 N -0.87 0.53 0.18 1.55 -4.23 -1.26 -5.00 115.64 106.54 1i30 s THR 109 Ca 0.59 -1.54 -0.19 0.00 -1.18 0.00 0.00 61.69 59.37 1i30 s THR 109 Cb -0.61 -1.17 0.12 0.00 1.34 0.00 0.00 72.50 72.17 1i30 s THR 109 CO 0.59 -0.69 1.62 -0.09 -0.54 0.00 0.00 174.62 175.52 1i30 h ARG 110 N 3.66 -0.12 -0.73 3.99 2.43 -1.98 0.53 114.38 122.15 1i30 h ARG 110 Ca -0.35 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1i30 h ARG 110 Cb 1.18 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 1i30 h ARG 110 CO 0.55 -0.08 0.47 0.93 -1.51 0.00 0.00 179.97 180.32 1i30 h GLU 111 N -0.13 0.98 -0.56 0.20 4.39 -1.98 0.24 114.58 117.71 1i30 h GLU 111 Ca 0.21 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1i30 h GLU 111 Cb 0.46 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1i30 h GLU 111 CO -0.52 0.67 0.35 0.78 -1.16 0.00 0.00 179.01 179.12 1i30 h GLY 112 N 1.00 0.81 0.85 -3.84 0.00 -1.46 -0.33 103.07 100.10 1i30 h GLY 112 Ca 0.27 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1i30 h GLY 112 CO -0.05 0.32 -0.07 -2.75 0.00 0.00 0.00 176.54 173.99 1i30 h PHE 113 N 0.76 -0.18 -0.10 5.60 3.04 0.43 -2.14 116.94 124.36 1i30 h PHE 113 Ca 0.20 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.19 1i30 h PHE 113 Cb -0.03 0.06 -0.06 0.00 2.56 0.00 0.00 35.95 38.48 1i30 h PHE 113 CO -0.03 0.02 -0.30 -0.22 -2.02 0.00 0.00 178.31 175.76 1i30 h LYS 114 N -0.34 -0.38 -0.04 1.11 3.11 -0.17 -1.69 116.57 118.18 1i30 h LYS 114 Ca -0.02 0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1i30 h LYS 114 Cb 0.27 0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.58 1i30 h LYS 114 CO 0.03 -0.25 0.02 0.82 -2.81 0.00 0.00 179.45 177.26 1i30 h ILE 115 N -0.39 1.09 -0.89 2.00 2.04 -1.10 -0.49 117.51 119.77 1i30 h ILE 115 Ca 0.09 -0.26 0.08 0.00 1.00 0.00 0.00 64.86 65.77 1i30 h ILE 115 Cb 0.53 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 1i30 h ILE 115 CO -0.32 0.07 0.58 0.00 0.00 0.00 0.00 178.15 178.48 1i30 h ALA 116 N 0.91 1.59 0.03 1.87 0.00 -1.24 0.80 119.26 123.22 1i30 h ALA 116 Ca 0.01 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1i30 h ALA 116 Cb 0.10 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1i30 h ALA 116 CO -0.00 0.25 -1.03 0.45 0.00 0.00 0.00 179.25 178.92 1i30 h HIS 117 N 0.94 0.74 0.28 0.00 3.86 -1.20 -1.91 115.15 117.87 1i30 h HIS 117 Ca 0.40 -0.42 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1i30 h HIS 117 Cb 0.33 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1i30 h HIS 117 CO -0.00 1.26 -0.14 0.22 0.86 0.00 0.00 177.93 180.13 1i30 h ASP 118 N 0.26 -0.32 -0.20 2.45 3.58 -0.49 -1.46 116.42 120.23 1i30 h ASP 118 Ca -0.11 -0.20 -0.11 0.00 0.42 0.00 0.00 57.03 57.04 1i30 h ASP 118 Cb 1.68 0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.81 1i30 h ASP 118 CO 0.19 0.06 -0.29 0.40 -2.88 0.00 0.00 179.24 176.71 1i30 h ILE 119 N -0.75 1.33 0.00 2.25 1.08 -0.98 -1.97 117.51 118.48 1i30 h ILE 119 Ca -0.04 -1.50 -0.11 0.00 -0.39 0.00 0.00 64.86 62.82 1i30 h ILE 119 Cb 0.50 1.82 -0.02 0.00 -3.07 0.00 0.00 36.82 36.05 1i30 h ILE 119 CO 0.06 0.46 -0.53 0.28 -0.69 0.00 0.00 178.15 177.74 1i30 h SER 120 N 0.23 0.00 0.00 1.72 0.02 -1.47 -3.37 113.55 110.68 1i30 h SER 120 Ca 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1i30 h SER 120 Cb 0.87 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 1i30 h SER 120 CO 0.07 0.53 -0.98 -0.24 -1.14 0.00 0.00 176.83 175.07 1i30 n SER 121 N -3.25 0.10 0.04 3.07 2.88 -0.78 -4.76 113.62 110.93 1i30 n SER 121 Ca 0.02 0.02 -0.03 0.00 -1.33 0.00 0.00 58.87 57.54 1i30 n SER 121 Cb 0.74 -0.04 0.22 0.00 -0.75 0.00 0.00 64.21 64.38 1i30 n SER 121 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1i30 h TYR 122 N -0.02 0.47 -0.14 0.66 3.20 -1.17 -2.76 116.97 117.21 1i30 h TYR 122 Ca -0.01 -0.10 0.04 0.00 3.14 0.00 0.00 58.73 61.79 1i30 h TYR 122 Cb 0.96 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1i30 h TYR 122 CO -0.00 0.66 0.13 0.66 -1.64 0.00 0.00 178.16 177.97 1i30 h SER 123 N 0.36 0.00 -0.06 -2.11 4.64 -1.52 -0.05 113.55 114.82 1i30 h SER 123 Ca 0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1i30 h SER 123 Cb 0.69 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1i30 h SER 123 CO 0.05 0.00 0.01 0.15 -0.87 0.00 0.00 176.83 176.17 1i30 h PHE 124 N 0.00 0.09 0.00 4.77 3.57 -1.77 -1.51 116.94 122.09 1i30 h PHE 124 Ca 0.07 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1i30 h PHE 124 Cb 0.32 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1i30 h PHE 124 CO 0.00 0.29 -0.20 -0.24 -2.23 0.00 0.00 178.31 175.93 1i30 h VAL 125 N -0.13 0.00 -0.25 1.41 3.04 -1.56 -2.75 116.25 116.02 1i30 h VAL 125 Ca 0.02 -0.86 -0.02 0.00 -1.01 0.00 0.00 66.70 64.83 1i30 h VAL 125 Cb 0.24 1.75 -0.01 0.00 -2.01 0.00 0.00 31.29 31.26 1i30 h VAL 125 CO 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 177.57 176.64 1i30 h ALA 126 N 2.14 0.33 -0.64 3.17 0.00 -0.91 -0.44 119.26 122.91 1i30 h ALA 126 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1i30 h ALA 126 Cb 0.93 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1i30 h ALA 126 CO 0.00 -0.05 0.33 0.52 0.00 0.00 0.00 179.25 180.05 1i30 h MET 127 N 0.24 0.91 -0.59 0.00 2.07 -1.22 -1.82 114.93 114.52 1i30 h MET 127 Ca 0.08 -0.12 -0.06 0.00 -2.07 0.00 0.00 59.70 57.54 1i30 h MET 127 Cb 0.22 -0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 29.76 1i30 h MET 127 CO -0.00 0.71 0.15 0.00 1.07 0.00 0.00 176.91 178.83 1i30 h ALA 128 N 1.16 1.14 -0.78 6.32 0.00 -1.30 -2.75 119.26 123.05 1i30 h ALA 128 Ca 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1i30 h ALA 128 Cb 0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1i30 h ALA 128 CO -0.03 0.58 0.45 -0.22 0.00 0.00 0.00 179.25 180.03 1i30 h LYS 129 N 0.89 1.07 0.00 0.00 3.64 -0.71 0.49 116.57 121.94 1i30 h LYS 129 Ca 0.19 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1i30 h LYS 129 Cb 0.32 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1i30 h LYS 129 CO -0.00 0.77 0.00 0.00 -2.27 0.00 0.00 179.45 177.95 1i30 h ALA 130 N 1.24 1.00 0.00 5.00 0.00 -1.07 -3.32 119.26 122.11 1i30 h ALA 130 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1i30 h ALA 130 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1i30 h ALA 130 CO -0.05 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.20 1i30 h ARG 132 N 0.00 0.36 0.00 0.00 2.43 -1.00 0.20 114.38 116.37 1i30 h ARG 132 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1i30 h ARG 132 Cb 0.15 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1i30 h ARG 132 CO 0.00 0.24 0.00 -1.13 -1.51 0.00 0.00 179.97 177.57 1i30 n SER 133 N -5.05 0.49 -0.35 -3.80 3.41 -1.26 -3.19 113.62 103.87 1i30 n SER 133 Ca 0.27 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.58 1i30 n SER 133 Cb 0.80 -0.70 0.26 0.00 -0.26 0.00 0.00 64.21 64.31 1i30 n SER 133 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1i30 n MET 134 N -1.99 1.01 -3.02 4.33 2.81 0.70 -4.94 117.12 116.02 1i30 n MET 134 Ca 0.05 -0.69 -0.38 0.00 -1.81 0.00 0.00 57.70 54.86 1i30 n MET 134 Cb 0.31 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.28 1i30 n MET 134 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1i30 s LEU 135 N -2.47 4.48 0.71 4.03 1.43 -1.17 -1.96 118.68 123.73 1i30 s LEU 135 Ca 0.23 1.56 -0.07 0.00 -1.03 0.00 0.00 54.13 54.82 1i30 s LEU 135 Cb 0.19 -3.45 0.06 0.00 0.03 0.00 0.00 46.19 43.02 1i30 s LEU 135 CO 0.53 0.12 1.03 0.20 0.23 0.00 0.00 176.35 178.47 1i30 s ASN 136 N -1.37 4.81 0.59 2.29 0.01 -0.58 -4.90 114.94 115.79 1i30 s ASN 136 Ca 0.39 0.52 -0.18 0.00 -0.71 0.00 0.00 52.86 52.89 1i30 s ASN 136 Cb -0.20 -1.16 -0.03 0.00 0.41 0.00 0.00 41.25 40.26 1i30 s ASN 136 CO 0.24 -1.62 1.13 -2.84 -1.51 0.00 0.00 177.10 172.50 1i30 s PRO 137 N -5.29 3.10 -0.06 -0.60 0.02 -1.26 -2.33 135.00 128.58 1i30 s PRO 137 Ca 0.60 1.57 0.00 0.00 0.02 0.00 0.00 61.00 63.19 1i30 s PRO 137 Cb -0.11 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1i30 s PRO 137 CO 0.45 -1.05 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 1i30 n GLY 138 N -0.01 0.48 3.82 0.52 0.00 0.99 -5.02 105.19 105.96 1i30 n GLY 138 Ca 0.11 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1i30 n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i30 s SER 139 N -2.31 4.58 -0.10 1.61 0.01 -0.92 -4.90 113.70 111.67 1i30 s SER 139 Ca 0.00 1.23 -0.07 0.00 1.31 0.00 0.00 55.95 58.42 1i30 s SER 139 Cb 0.00 -1.96 0.03 0.00 0.21 0.00 0.00 66.02 64.31 1i30 s SER 139 CO 0.00 -1.90 0.25 0.00 0.41 0.00 0.00 173.24 172.00 1i30 s ALA 140 N -3.22 -0.60 0.04 1.44 0.00 -0.75 -1.97 121.76 116.71 1i30 s ALA 140 Ca 0.61 0.81 0.04 0.00 0.00 0.00 0.00 51.96 53.41 1i30 s ALA 140 Cb -0.14 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1i30 s ALA 140 CO 0.54 -0.15 -0.04 -0.51 0.00 0.00 0.00 175.76 175.60 1i30 s LEU 141 N 0.52 3.31 -0.01 0.00 1.43 -0.13 -3.21 118.68 120.60 1i30 s LEU 141 Ca -0.03 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1i30 s LEU 141 Cb -0.05 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1i30 s LEU 141 CO -0.03 0.23 0.05 -0.22 0.23 0.00 0.00 176.35 176.61 1i30 s LEU 142 N -1.83 1.84 0.30 1.79 2.96 -0.61 -2.33 118.68 120.81 1i30 s LEU 142 Ca 0.21 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 1i30 s LEU 142 Cb -0.11 0.20 -0.04 0.00 0.50 0.00 0.00 46.19 46.73 1i30 s LEU 142 CO 0.12 -0.07 0.14 0.28 -1.32 0.00 0.00 176.35 175.49 1i30 s THR 143 N -0.24 0.46 -0.08 3.68 -1.32 -1.10 0.17 115.64 117.20 1i30 s THR 143 Ca -0.03 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.49 1i30 s THR 143 Cb -0.02 -2.54 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 1i30 s THR 143 CO 0.00 0.00 -0.21 -0.76 -2.21 0.00 0.00 174.62 171.44 1i30 s LEU 144 N -3.39 1.97 0.00 9.08 1.43 -1.16 -2.10 118.68 124.51 1i30 s LEU 144 Ca 0.35 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1i30 s LEU 144 Cb 0.06 -1.24 -0.00 0.00 0.03 0.00 0.00 46.19 45.04 1i30 s LEU 144 CO 0.16 0.13 0.03 -0.24 0.23 0.00 0.00 176.35 176.67 1i30 n SER 145 N 3.52 1.87 -3.80 2.29 2.88 0.34 -4.93 113.62 115.79 1i30 n SER 145 Ca -0.20 -1.93 -0.12 0.00 -1.33 0.00 0.00 58.87 55.29 1i30 n SER 145 Cb 0.53 0.29 -0.09 0.00 -0.75 0.00 0.00 64.21 64.18 1i30 n SER 145 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1i30 s TYR 146 N -1.97 -0.08 0.63 0.66 5.04 -1.26 -2.03 117.35 118.34 1i30 s TYR 146 Ca 0.04 0.08 0.22 0.00 -2.44 0.00 0.00 57.07 54.97 1i30 s TYR 146 Cb 0.00 0.04 1.06 0.00 0.35 0.00 0.00 41.96 43.41 1i30 s TYR 146 CO 0.03 -0.36 1.57 1.25 -1.34 0.00 0.00 175.55 176.70 1i30 h LEU 147 N 3.95 0.00 0.00 6.97 5.85 -1.90 -1.34 115.31 128.84 1i30 h LEU 147 Ca -0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1i30 h LEU 147 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1i30 h LEU 147 CO 0.41 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.12 1i30 n GLY 148 N -1.45 -0.48 0.09 3.75 0.00 -1.26 -1.54 105.19 104.30 1i30 n GLY 148 Ca 0.06 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1i30 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i30 h ALA 149 N 2.22 0.29 0.00 4.61 0.00 -1.39 -3.37 119.26 121.61 1i30 h ALA 149 Ca 0.00 -1.01 -0.29 0.00 0.00 0.00 0.00 54.91 53.61 1i30 h ALA 149 Cb 0.05 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1i30 h ALA 149 CO 0.00 1.16 -1.83 0.39 0.00 0.00 0.00 179.25 178.98 1i30 n GLU 150 N -3.41 0.64 -4.26 0.00 1.02 -0.59 -4.52 120.64 109.52 1i30 n GLU 150 Ca -0.09 0.21 -0.14 0.00 -0.02 0.00 0.00 57.16 57.12 1i30 n GLU 150 Cb 1.01 -1.73 -0.10 0.00 -0.02 0.00 0.00 31.44 30.59 1i30 n GLU 150 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1i30 s ARG 151 N -2.63 1.09 -0.42 3.49 1.81 -0.90 -5.11 118.95 116.27 1i30 s ARG 151 Ca -0.06 -1.47 -0.25 0.00 -1.72 0.00 0.00 55.73 52.23 1i30 s ARG 151 Cb 0.08 -0.62 0.02 0.00 -0.45 0.00 0.00 34.95 33.97 1i30 s ARG 151 CO 0.83 0.06 0.87 0.00 -0.68 0.00 0.00 175.30 176.37 1i30 s ALA 152 N -3.33 3.31 -0.13 2.13 0.00 -1.26 -4.39 121.76 118.09 1i30 s ALA 152 Ca 0.18 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 1i30 s ALA 152 Cb 0.03 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1i30 s ALA 152 CO 0.01 -1.84 -0.07 0.42 0.00 0.00 0.00 175.76 174.29 1i30 s ILE 153 N 3.49 3.66 0.24 0.00 1.01 -1.26 -5.08 121.20 123.26 1i30 s ILE 153 Ca 0.35 -0.46 -0.31 0.00 0.00 0.00 0.00 60.65 60.23 1i30 s ILE 153 Cb -0.11 -2.56 -0.14 0.00 0.01 0.00 0.00 42.46 39.65 1i30 s ILE 153 CO 0.22 0.53 1.25 -2.65 0.00 0.00 0.00 174.94 174.29 1i30 n PRO 154 N 3.17 1.67 0.00 2.79 -0.02 -1.26 -2.34 135.00 139.01 1i30 n PRO 154 Ca -0.18 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1i30 n PRO 154 Cb 0.53 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1i30 n PRO 154 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1i30 n ASN 155 N 1.78 0.00 0.28 2.55 3.02 -1.26 -4.68 115.26 116.96 1i30 n ASN 155 Ca 0.11 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.79 1i30 n ASN 155 Cb 0.30 -0.07 0.80 0.00 -0.61 0.00 0.00 39.78 40.20 1i30 n ASN 155 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1i30 h TYR 156 N 0.00 0.00 0.00 3.10 3.20 -1.75 -3.30 116.97 118.22 1i30 h TYR 156 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1i30 h TYR 156 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1i30 h TYR 156 CO 0.00 0.02 0.00 0.09 -1.64 0.00 0.00 178.16 176.63 1i30 n ASN 157 N -4.05 0.00 0.30 -2.11 3.02 -1.25 -1.92 115.26 109.24 1i30 n ASN 157 Ca -0.03 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.72 1i30 n ASN 157 Cb 0.11 0.00 0.91 0.00 -0.61 0.00 0.00 39.78 40.19 1i30 n ASN 157 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1i30 h VAL 158 N 0.00 0.00 0.00 2.41 3.04 -1.87 -1.50 116.25 118.33 1i30 h VAL 158 Ca 0.00 -0.29 -0.02 0.00 -1.01 0.00 0.00 66.70 65.38 1i30 h VAL 158 Cb 0.00 1.28 -0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1i30 h VAL 158 CO 0.00 0.00 -0.08 -0.03 -1.01 0.00 0.00 177.57 176.45 1i30 h MET 159 N 0.00 0.00 -0.45 4.17 -1.53 -1.75 -1.53 114.93 113.85 1i30 h MET 159 Ca 0.00 0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.12 1i30 h MET 159 Cb 0.29 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.33 1i30 h MET 159 CO 0.00 0.08 -0.28 0.78 0.14 0.00 0.00 176.91 177.63 1i30 h GLY 160 N 0.43 1.06 1.44 1.39 0.00 -1.35 -0.86 103.07 105.19 1i30 h GLY 160 Ca -0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.19 1i30 h GLY 160 CO 0.01 0.90 -0.44 1.41 0.00 0.00 0.00 176.54 178.43 1i30 h LEU 161 N 0.83 0.65 -0.87 3.11 4.07 -1.45 -1.70 115.31 119.95 1i30 h LEU 161 Ca 0.09 -0.30 -0.07 0.00 0.08 0.00 0.00 57.88 57.68 1i30 h LEU 161 Cb 0.87 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.40 1i30 h LEU 161 CO 0.08 1.00 0.05 0.00 -1.08 0.00 0.00 178.44 178.49 1i30 h ALA 162 N 1.03 1.06 -0.02 1.53 0.00 -1.13 -1.57 119.26 120.17 1i30 h ALA 162 Ca 0.03 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.50 1i30 h ALA 162 Cb 0.96 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1i30 h ALA 162 CO 0.09 0.60 -0.80 0.87 0.00 0.00 0.00 179.25 180.00 1i30 h LYS 163 N 0.84 0.23 -0.53 0.00 1.79 -1.01 -0.54 116.57 117.34 1i30 h LYS 163 Ca 0.17 -0.22 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1i30 h LYS 163 Cb 0.43 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.11 1i30 h LYS 163 CO 0.01 0.92 0.17 0.00 -1.08 0.00 0.00 179.45 179.47 1i30 h ALA 164 N 1.01 0.69 -0.20 3.86 0.00 -1.10 0.13 119.26 123.65 1i30 h ALA 164 Ca -0.04 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1i30 h ALA 164 Cb 1.40 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1i30 h ALA 164 CO 0.12 0.34 0.12 1.03 0.00 0.00 0.00 179.25 180.86 1i30 h SER 165 N 0.72 0.19 -0.80 0.00 0.87 -1.15 -1.65 113.55 111.73 1i30 h SER 165 Ca 0.17 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 1i30 h SER 165 Cb 0.27 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 1i30 h SER 165 CO -0.01 0.14 0.47 0.25 -0.53 0.00 0.00 176.83 177.16 1i30 h LEU 166 N 0.24 0.98 -0.87 2.23 5.85 -0.80 0.15 115.31 123.10 1i30 h LEU 166 Ca 0.08 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1i30 h LEU 166 Cb -0.01 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1i30 h LEU 166 CO -0.04 0.77 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.47 1i30 h GLU 167 N 1.12 0.80 -0.10 1.25 5.08 -0.32 -1.27 114.58 121.14 1i30 h GLU 167 Ca 0.29 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1i30 h GLU 167 Cb -0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1i30 h GLU 167 CO -0.05 0.83 -0.64 0.00 -1.00 0.00 0.00 179.01 178.15 1i30 h ALA 168 N 1.22 0.71 -0.99 3.43 0.00 -0.92 -2.77 119.26 119.95 1i30 h ALA 168 Ca 0.14 -0.56 0.06 0.00 0.00 0.00 0.00 54.91 54.55 1i30 h ALA 168 Cb 0.50 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1i30 h ALA 168 CO 0.03 0.73 0.64 -0.97 0.00 0.00 0.00 179.25 179.68 1i30 h ASN 169 N 0.28 1.04 -0.54 0.00 -0.00 -0.07 -1.22 115.58 115.06 1i30 h ASN 169 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 56.30 56.31 1i30 h ASN 169 Cb 1.18 -0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 39.24 1i30 h ASN 169 CO 0.11 0.68 0.34 0.58 -0.00 0.00 0.00 177.43 179.14 1i30 h VAL 170 N 1.19 1.09 -0.33 2.57 2.07 -0.97 0.14 116.25 122.00 1i30 h VAL 170 Ca 0.42 -0.23 -0.09 0.00 0.82 0.00 0.00 66.70 67.61 1i30 h VAL 170 Cb 0.12 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1i30 h VAL 170 CO -0.15 0.12 -0.15 0.03 0.02 0.00 0.00 177.57 177.44 1i30 h ARG 171 N 0.68 0.69 -0.44 1.57 3.08 -1.26 -0.52 114.38 118.18 1i30 h ARG 171 Ca 0.21 -0.30 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 1i30 h ARG 171 Cb -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1i30 h ARG 171 CO -0.08 0.89 -0.09 1.88 -1.07 0.00 0.00 179.97 181.50 1i30 h TYR 172 N 0.46 0.95 -0.46 3.04 0.05 -1.06 -0.29 116.97 119.66 1i30 h TYR 172 Ca 0.08 -0.20 -0.04 0.00 0.05 0.00 0.00 58.73 58.61 1i30 h TYR 172 Cb 0.68 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 1i30 h TYR 172 CO 0.06 0.94 0.12 0.52 -1.05 0.00 0.00 178.16 178.75 1i30 h MET 173 N 0.68 0.73 -0.81 4.88 2.86 -0.70 -1.75 114.93 120.82 1i30 h MET 173 Ca 0.11 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1i30 h MET 173 Cb 0.63 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.15 1i30 h MET 173 CO 0.04 0.72 0.36 0.00 1.06 0.00 0.00 176.91 179.09 1i30 h ALA 174 N 0.98 1.10 -0.19 6.32 0.00 -0.97 0.96 119.26 127.47 1i30 h ALA 174 Ca 0.15 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1i30 h ALA 174 Cb 0.30 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1i30 h ALA 174 CO -0.00 0.66 -0.41 -0.97 0.00 0.00 0.00 179.25 178.53 1i30 h ASN 175 N 1.17 0.47 0.39 0.00 -0.73 -0.80 -0.87 115.58 115.20 1i30 h ASN 175 Ca 0.28 -0.21 -0.32 0.00 1.87 0.00 0.00 56.30 57.92 1i30 h ASN 175 Cb 0.16 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.62 1i30 h ASN 175 CO -0.03 0.83 -1.55 0.00 -0.37 0.00 0.00 177.43 176.31 1i30 h ALA 176 N 1.19 0.19 -0.00 1.57 0.00 -1.11 -3.37 119.26 117.73 1i30 h ALA 176 Ca 0.03 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.87 1i30 h ALA 176 Cb 0.88 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1i30 h ALA 176 CO 0.07 1.06 -0.57 -1.33 0.00 0.00 0.00 179.25 178.48 1i30 n MET 177 N -3.52 0.11 -0.30 0.00 2.81 0.31 -4.24 117.12 112.30 1i30 n MET 177 Ca -0.18 -0.07 -0.04 0.00 -1.81 0.00 0.00 57.70 55.60 1i30 n MET 177 Cb 1.06 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 32.14 1i30 n MET 177 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1i30 h GLY 178 N 4.99 1.15 2.00 3.03 0.00 -1.03 -2.21 103.07 110.99 1i30 h GLY 178 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1i30 h GLY 178 CO 0.00 0.44 0.00 -2.55 0.00 0.00 0.00 176.54 174.43 1i30 h PRO 179 N 1.10 0.00 -0.49 4.80 0.11 -1.82 -1.41 132.00 134.29 1i30 h PRO 179 Ca 0.29 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.21 1i30 h PRO 179 Cb -0.08 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 30.91 1i30 h PRO 179 CO -0.06 0.00 0.11 -0.85 -0.21 0.00 0.00 178.00 176.99 1i30 n GLU 180 N -2.30 2.46 -2.56 1.05 0.28 -1.05 -4.93 120.64 113.59 1i30 n GLU 180 Ca -0.01 -3.06 -0.11 0.00 -0.16 0.00 0.00 57.16 53.82 1i30 n GLU 180 Cb 0.08 -1.94 0.01 0.00 1.43 0.00 0.00 31.44 31.02 1i30 n GLU 180 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1i30 n GLY 181 N -0.83 0.08 3.15 -1.84 0.00 -0.53 -4.68 105.19 100.55 1i30 n GLY 181 Ca 0.36 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1i30 n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i30 s VAL 182 N -2.79 1.70 0.12 1.61 1.01 -0.86 -0.01 120.40 121.19 1i30 s VAL 182 Ca 0.12 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1i30 s VAL 182 Cb -0.05 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1i30 s VAL 182 CO 0.15 0.48 0.04 -0.13 0.00 0.00 0.00 175.10 175.65 1i30 s ARG 183 N 0.36 2.64 -0.05 2.72 0.52 -0.83 -2.94 118.95 121.38 1i30 s ARG 183 Ca -0.15 -0.89 -0.02 0.00 -0.52 0.00 0.00 55.73 54.16 1i30 s ARG 183 Cb -0.16 -2.55 0.03 0.00 0.52 0.00 0.00 34.95 32.79 1i30 s ARG 183 CO 0.06 0.51 0.09 0.08 0.02 0.00 0.00 175.30 176.06 1i30 s VAL 184 N -1.52 -0.09 0.35 3.52 1.01 -1.26 -0.95 120.40 121.46 1i30 s VAL 184 Ca 0.28 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.54 1i30 s VAL 184 Cb -0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 1i30 s VAL 184 CO 0.20 0.10 0.38 0.20 0.00 0.00 0.00 175.10 175.99 1i30 s ASN 185 N 1.40 1.42 0.13 3.32 0.01 -0.98 0.65 114.94 120.88 1i30 s ASN 185 Ca -0.06 -1.67 0.01 0.00 -0.71 0.00 0.00 52.86 50.43 1i30 s ASN 185 Cb -0.12 0.62 -0.04 0.00 0.41 0.00 0.00 41.25 42.12 1i30 s ASN 185 CO -0.04 -1.20 -0.01 0.00 -1.51 0.00 0.00 177.10 174.34 1i30 s ALA 186 N -3.17 1.01 -0.11 0.60 0.00 0.10 -2.71 121.76 117.48 1i30 s ALA 186 Ca 0.36 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1i30 s ALA 186 Cb 0.01 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.63 1i30 s ALA 186 CO 0.25 -0.35 -0.15 0.42 0.00 0.00 0.00 175.76 175.93 1i30 s ILE 187 N -3.79 1.51 -0.53 0.00 1.01 -0.89 -1.27 121.20 117.24 1i30 s ILE 187 Ca 0.19 -0.65 -0.18 0.00 0.00 0.00 0.00 60.65 60.00 1i30 s ILE 187 Cb 0.07 -1.38 0.08 0.00 0.01 0.00 0.00 42.46 41.23 1i30 s ILE 187 CO -0.01 0.44 0.60 -0.55 0.00 0.00 0.00 174.94 175.43 1i30 s SER 188 N 1.00 6.20 0.37 3.58 0.15 0.05 -0.50 113.70 124.55 1i30 s SER 188 Ca -0.06 -1.20 -0.13 0.00 0.70 0.00 0.00 55.95 55.26 1i30 s SER 188 Cb -0.15 -2.27 -0.08 0.00 -1.71 0.00 0.00 66.02 61.81 1i30 s SER 188 CO -0.02 -0.91 0.78 0.00 1.20 0.00 0.00 173.24 174.29 1i30 s ALA 189 N 2.40 3.30 0.94 5.45 0.00 -0.86 -1.86 121.76 131.14 1i30 s ALA 189 Ca 0.11 -0.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.89 1i30 s ALA 189 Cb -0.22 -2.78 0.17 0.00 0.00 0.00 0.00 23.12 20.29 1i30 s ALA 189 CO 0.09 0.14 1.27 0.20 0.00 0.00 0.00 175.76 177.46 1i30 s GLY 190 N -2.69 1.71 0.29 0.00 0.00 -0.99 -4.54 107.32 101.11 1i30 s GLY 190 Ca 0.54 -1.02 -0.29 0.00 0.00 0.00 0.00 44.72 43.94 1i30 s GLY 190 CO 0.24 -0.32 1.42 2.56 0.00 0.00 0.00 173.10 177.00 1i30 s PRO 191 N -5.76 4.26 -0.02 2.90 0.04 -1.26 -4.89 135.00 130.26 1i30 s PRO 191 Ca 0.70 2.34 0.01 0.00 0.04 0.00 0.00 61.00 64.09 1i30 s PRO 191 Cb -0.06 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.42 1i30 s PRO 191 CO 0.52 -0.39 -0.03 0.42 0.04 0.00 0.00 177.00 177.56 1i30 s ILE 192 N -0.45 0.32 -0.49 0.56 1.01 -1.26 -4.47 121.20 116.43 1i30 s ILE 192 Ca 0.56 -0.07 -0.28 0.00 0.00 0.00 0.00 60.65 60.87 1i30 s ILE 192 Cb -0.42 -0.35 -0.00 0.00 0.01 0.00 0.00 42.46 41.70 1i30 s ILE 192 CO 0.49 0.15 1.57 0.00 0.00 0.00 0.00 174.94 177.15 1i30 s ARG 193 N 0.57 3.24 0.00 2.79 1.70 -1.26 -5.10 118.95 120.89 1i30 s ARG 193 Ca -0.06 0.78 0.00 0.00 -0.47 0.00 0.00 55.73 55.98 1i30 s ARG 193 Cb -0.09 -4.17 0.00 0.00 -0.57 0.00 0.00 34.95 30.12 1i30 s ARG 193 CO -0.01 -1.99 0.12 0.25 -1.08 0.00 0.00 175.30 172.60 1i30 n THR 194 N 7.08 0.00 0.00 4.99 -2.24 -1.26 -4.92 114.28 117.93 1i30 n THR 194 Ca 0.17 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1i30 n THR 194 Cb 0.49 1.39 0.00 0.00 -2.10 0.00 0.00 70.33 70.11 1i30 n THR 194 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1i30 n PHE 203 N -0.14 0.00 -0.49 4.78 -0.00 -1.26 -5.06 117.46 115.29 1i30 n PHE 203 Ca 0.00 0.00 0.43 0.00 -0.00 0.00 0.00 57.45 57.88 1i30 n PHE 203 Cb 0.10 0.00 0.77 0.00 -0.00 0.00 0.00 39.48 40.35 1i30 n PHE 203 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1i30 h ARG 204 N 0.00 0.00 0.06 -4.13 2.47 -2.05 1.20 114.38 111.94 1i30 h ARG 204 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1i30 h ARG 204 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1i30 h ARG 204 CO 0.00 0.00 -0.03 1.57 0.56 0.00 0.00 179.97 182.07 1i30 h LYS 205 N 0.00 -0.08 -0.96 0.04 -0.00 -2.05 -2.39 116.57 111.14 1i30 h LYS 205 Ca 0.73 0.01 0.11 0.00 -0.00 0.00 0.00 60.65 61.49 1i30 h LYS 205 Cb 3.00 0.02 -0.13 0.00 -0.00 0.00 0.00 32.23 35.12 1i30 h LYS 205 CO -0.01 0.25 -0.50 -0.12 -0.00 0.00 0.00 179.45 179.07 1i30 n MET 206 N -4.79 -0.36 -0.24 0.07 0.00 0.36 0.68 117.12 112.84 1i30 n MET 206 Ca -0.04 1.45 0.06 0.00 0.00 0.00 0.00 57.70 59.17 1i30 n MET 206 Cb 0.18 -2.14 0.31 0.00 0.00 0.00 0.00 33.22 31.56 1i30 n MET 206 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1i30 h LEU 207 N 0.00 0.76 0.65 -0.89 4.07 -0.04 0.63 115.31 120.49 1i30 h LEU 207 Ca 0.21 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.15 1i30 h LEU 207 Cb 0.45 -0.15 0.01 0.00 1.08 0.00 0.00 40.66 42.04 1i30 h LEU 207 CO -0.92 0.48 -0.31 0.00 -1.08 0.00 0.00 178.44 176.61 1i30 h ALA 208 N 1.57 -0.87 0.05 1.53 0.00 0.80 -2.61 119.26 119.72 1i30 h ALA 208 Ca 0.36 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1i30 h ALA 208 Cb 0.30 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1i30 h ALA 208 CO -0.13 -0.95 -0.32 1.25 0.00 0.00 0.00 179.25 179.09 1i30 h HIS 209 N -0.94 -0.93 -0.97 0.00 -0.00 -0.04 -2.48 115.15 109.80 1i30 h HIS 209 Ca -0.09 0.03 0.15 0.00 -0.00 0.00 0.00 60.37 60.46 1i30 h HIS 209 Cb 0.69 0.40 -0.16 0.00 -0.00 0.00 0.00 27.41 28.34 1i30 h HIS 209 CO -0.02 -0.35 -0.37 0.00 -0.00 0.00 0.00 177.93 177.19 1i30 h GLU 211 N 0.00 0.39 0.02 0.00 4.81 -1.04 0.31 114.58 119.07 1i30 h GLU 211 Ca 0.35 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 59.35 1i30 h GLU 211 Cb 0.59 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1i30 h GLU 211 CO -0.96 0.26 -0.95 0.00 -0.73 0.00 0.00 179.01 176.63 1i30 h ALA 212 N 1.62 0.45 0.00 2.92 0.00 -0.93 -3.22 119.26 120.10 1i30 h ALA 212 Ca 0.47 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1i30 h ALA 212 Cb 0.79 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1i30 h ALA 212 CO -0.47 1.01 -0.86 1.33 0.00 0.00 0.00 179.25 180.26 1i30 n VAL 213 N -3.56 0.29 -2.40 0.00 0.24 -0.81 -4.91 118.33 107.17 1i30 n VAL 213 Ca -0.03 -0.28 -0.41 0.00 -2.04 0.00 0.00 64.34 61.58 1i30 n VAL 213 Cb 0.86 0.01 -0.04 0.00 -1.47 0.00 0.00 33.84 33.21 1i30 n VAL 213 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1i30 s THR 214 N -3.20 3.47 0.20 3.34 2.01 0.10 -4.85 115.64 116.70 1i30 s THR 214 Ca 0.04 1.35 -0.14 0.00 0.31 0.00 0.00 61.69 63.26 1i30 s THR 214 Cb 0.14 -3.86 0.18 0.00 0.01 0.00 0.00 72.50 68.96 1i30 s THR 214 CO 0.77 0.27 1.65 -0.65 -0.69 0.00 0.00 174.62 175.97 1i30 h PRO 215 N 4.44 0.02 0.00 4.92 0.11 -1.74 0.94 132.00 140.70 1i30 h PRO 215 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1i30 h PRO 215 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1i30 h PRO 215 CO 0.70 0.02 0.00 0.44 -0.21 0.00 0.00 178.00 178.95 1i30 n ILE 216 N -5.36 0.00 -3.76 4.15 -5.35 -1.15 -4.90 119.36 103.00 1i30 n ILE 216 Ca 0.06 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.27 1i30 n ILE 216 Cb 0.29 -0.59 0.05 0.00 -1.74 0.00 0.00 39.64 37.66 1i30 n ILE 216 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1i30 n ARG 217 N -0.97 -6.58 -3.61 6.28 5.12 0.33 -4.97 116.66 112.25 1i30 n ARG 217 Ca 0.17 0.70 -0.07 0.00 -1.93 0.00 0.00 57.85 56.73 1i30 n ARG 217 Cb 0.08 -5.66 -0.05 0.00 -1.16 0.00 0.00 32.46 25.67 1i30 n ARG 217 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1i30 s ARG 218 N -6.42 0.35 0.58 5.56 1.70 -1.21 -4.85 118.95 114.66 1i30 s ARG 218 Ca 0.58 0.12 -0.15 0.00 -0.47 0.00 0.00 55.73 55.81 1i30 s ARG 218 Cb -0.28 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.23 1i30 s ARG 218 CO 0.78 -0.10 1.04 0.95 -1.08 0.00 0.00 175.30 176.89 1i30 s THR 219 N -0.92 4.03 0.79 4.99 -4.23 -1.26 -4.82 115.64 114.23 1i30 s THR 219 Ca 0.03 0.94 -0.12 0.00 -1.18 0.00 0.00 61.69 61.36 1i30 s THR 219 Cb -0.01 -3.48 0.07 0.00 1.34 0.00 0.00 72.50 70.42 1i30 s THR 219 CO -0.03 -0.59 1.16 0.68 -0.54 0.00 0.00 174.62 175.29 1i30 s VAL 220 N -2.56 2.17 0.28 2.29 -7.23 -1.26 -5.07 120.40 109.02 1i30 s VAL 220 Ca 0.62 0.03 0.07 0.00 -1.81 0.00 0.00 61.98 60.89 1i30 s VAL 220 Cb -0.14 -3.05 -0.06 0.00 0.56 0.00 0.00 36.38 33.69 1i30 s VAL 220 CO 0.37 -0.06 -0.06 0.42 -0.31 0.00 0.00 175.10 175.46 1i30 s THR 221 N -3.54 1.68 0.64 5.32 -4.23 -1.26 -4.77 115.64 109.49 1i30 s THR 221 Ca 0.61 -2.13 0.40 0.00 -1.18 0.00 0.00 61.69 59.39 1i30 s THR 221 Cb -0.11 -2.45 0.42 0.00 1.34 0.00 0.00 72.50 71.69 1i30 s THR 221 CO 0.49 -0.30 2.34 0.16 -0.54 0.00 0.00 174.62 176.77 1i30 h ILE 222 N 2.27 0.17 -0.02 2.99 3.07 -1.93 0.39 117.51 124.45 1i30 h ILE 222 Ca -0.40 0.00 -0.09 0.00 1.55 0.00 0.00 64.86 65.92 1i30 h ILE 222 Cb 1.23 1.00 0.01 0.00 -0.27 0.00 0.00 36.82 38.79 1i30 h ILE 222 CO 0.67 0.00 -0.35 -0.33 -1.05 0.00 0.00 178.15 177.09 1i30 h GLU 223 N 0.00 0.27 -0.61 0.16 3.07 -1.94 0.33 114.58 115.87 1i30 h GLU 223 Ca 0.00 -0.27 0.01 0.00 -0.50 0.00 0.00 59.36 58.60 1i30 h GLU 223 Cb 0.01 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 1i30 h GLU 223 CO -0.00 0.96 0.40 -0.44 -1.40 0.00 0.00 179.01 178.53 1i30 h ASP 224 N -0.31 0.70 -0.30 1.42 3.32 -1.16 -1.18 116.42 118.90 1i30 h ASP 224 Ca -0.04 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 56.85 1i30 h ASP 224 Cb 1.07 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1i30 h ASP 224 CO 0.07 0.51 -0.35 0.58 -1.72 0.00 0.00 179.24 178.33 1i30 h VAL 225 N 0.82 1.28 -0.45 -1.35 2.07 -0.36 -2.74 116.25 115.52 1i30 h VAL 225 Ca 0.22 -1.52 0.04 0.00 0.82 0.00 0.00 66.70 66.26 1i30 h VAL 225 Cb -0.09 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1i30 h VAL 225 CO -0.05 0.50 0.22 1.23 0.02 0.00 0.00 177.57 179.49 1i30 h GLY 226 N 0.88 0.61 1.01 2.17 0.00 0.11 0.87 103.07 108.73 1i30 h GLY 226 Ca 0.07 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1i30 h GLY 226 CO 0.08 0.10 0.18 3.43 0.00 0.00 0.00 176.54 180.34 1i30 h ASN 227 N 0.44 0.88 -0.61 0.19 2.35 -1.20 0.37 115.58 118.00 1i30 h ASN 227 Ca 0.19 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1i30 h ASN 227 Cb 0.10 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 1i30 h ASN 227 CO -0.14 0.86 0.26 0.28 -1.65 0.00 0.00 177.43 177.04 1i30 h SER 228 N 0.86 0.85 -0.24 5.81 0.02 -1.11 -1.16 113.55 118.58 1i30 h SER 228 Ca 0.19 -0.11 -0.19 0.00 -0.84 0.00 0.00 61.79 60.84 1i30 h SER 228 Cb 0.30 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1i30 h SER 228 CO -0.00 0.76 -0.59 0.00 -1.14 0.00 0.00 176.83 175.85 1i30 h ALA 229 N 1.36 0.39 -0.74 3.77 0.00 -0.41 -0.60 119.26 123.04 1i30 h ALA 229 Ca 0.22 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1i30 h ALA 229 Cb 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1i30 h ALA 229 CO -0.02 0.64 0.48 0.00 0.00 0.00 0.00 179.25 180.36 1i30 h ALA 230 N 0.63 0.94 -0.23 0.00 0.00 -0.02 -1.51 119.26 119.08 1i30 h ALA 230 Ca -0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1i30 h ALA 230 Cb 1.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1i30 h ALA 230 CO 0.13 0.33 -0.12 0.35 0.00 0.00 0.00 179.25 179.94 1i30 h PHE 231 N 0.98 0.55 0.00 0.00 3.57 -1.14 -2.88 116.94 118.03 1i30 h PHE 231 Ca 0.28 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1i30 h PHE 231 Cb -0.08 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.53 1i30 h PHE 231 CO -0.03 0.76 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.72 1i30 h LEU 232 N 0.19 0.00 -2.35 0.59 3.38 -0.79 -1.97 115.31 114.36 1i30 h LEU 232 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1i30 h LEU 232 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1i30 h LEU 232 CO 0.03 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1i30 s SER 234 N -1.46 5.20 0.00 0.00 1.04 -0.74 -4.73 113.70 113.01 1i30 s SER 234 Ca 0.39 -0.63 0.21 0.00 0.48 0.00 0.00 55.95 56.40 1i30 s SER 234 Cb 0.23 -0.70 1.07 0.00 0.10 0.00 0.00 66.02 66.71 1i30 s SER 234 CO 0.32 -0.58 1.67 0.47 0.98 0.00 0.00 173.24 176.10 1i30 n ASP 235 N -1.54 0.00 0.03 7.02 8.00 -1.26 -2.33 116.55 126.47 1i30 n ASP 235 Ca 0.02 -0.02 0.02 0.00 0.71 0.00 0.00 54.79 55.52 1i30 n ASP 235 Cb 0.61 -0.28 0.37 0.00 -0.02 0.00 0.00 41.12 41.80 1i30 n ASP 235 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1i30 h LEU 236 N 0.00 0.42 -3.91 0.64 3.38 -1.88 -2.06 115.31 111.90 1i30 h LEU 236 Ca 0.00 -0.05 -0.52 0.00 0.09 0.00 0.00 57.88 57.39 1i30 h LEU 236 Cb 0.20 -0.11 -0.29 0.00 0.09 0.00 0.00 40.66 40.55 1i30 h LEU 236 CO 0.00 0.43 0.67 -1.54 0.09 0.00 0.00 178.44 178.09 1i30 n SER 237 N -4.36 4.48 0.00 -0.43 3.41 -0.98 -4.66 113.62 111.08 1i30 n SER 237 Ca 0.01 -3.57 0.22 0.00 -0.26 0.00 0.00 58.87 55.27 1i30 n SER 237 Cb 0.18 -0.86 0.72 0.00 -0.26 0.00 0.00 64.21 63.99 1i30 n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i30 h ALA 238 N 1.22 2.43 -0.30 7.33 0.00 -1.53 -0.56 119.26 127.86 1i30 h ALA 238 Ca 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1i30 h ALA 238 Cb 2.40 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.24 1i30 h ALA 238 CO 1.15 -0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1i30 n GLY 239 N -1.61 0.69 3.18 0.00 0.00 -1.26 -4.83 105.19 101.36 1i30 n GLY 239 Ca 0.10 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 1i30 n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i30 s ILE 240 N -1.60 2.71 -0.06 -0.61 1.01 -0.22 -5.10 121.20 117.33 1i30 s ILE 240 Ca 0.30 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 1i30 s ILE 240 Cb 0.16 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 40.29 1i30 s ILE 240 CO 0.23 0.24 0.17 -0.55 0.00 0.00 0.00 174.94 175.03 1i30 s SER 241 N 1.31 -0.18 0.00 3.58 0.15 -1.26 -4.73 113.70 112.57 1i30 s SER 241 Ca 0.00 0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1i30 s SER 241 Cb -0.16 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1i30 s SER 241 CO -0.06 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1i30 n GLY 242 N 2.97 0.45 3.76 9.45 0.00 0.21 -4.94 105.19 117.09 1i30 n GLY 242 Ca -0.13 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 1i30 n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i30 s GLU 243 N -1.46 2.99 -0.45 1.61 2.56 -1.25 -4.60 118.70 118.10 1i30 s GLU 243 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 54.97 54.38 1i30 s GLU 243 Cb 0.00 -2.81 0.11 0.00 2.00 0.00 0.00 34.13 33.44 1i30 s GLU 243 CO 0.00 0.64 0.29 0.08 -0.56 0.00 0.00 175.26 175.71 1i30 s VAL 244 N -1.17 3.90 -0.07 3.70 1.01 -1.26 0.03 120.40 126.54 1i30 s VAL 244 Ca 0.22 -1.86 -0.23 0.00 0.00 0.00 0.00 61.98 60.11 1i30 s VAL 244 Cb -0.12 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1i30 s VAL 244 CO 0.13 -0.74 0.68 -0.69 0.00 0.00 0.00 175.10 174.49 1i30 s VAL 245 N 1.29 5.05 -0.29 2.92 1.01 -0.40 -4.84 120.40 125.14 1i30 s VAL 245 Ca 0.06 1.41 -0.24 0.00 0.00 0.00 0.00 61.98 63.22 1i30 s VAL 245 Cb -0.25 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 1i30 s VAL 245 CO -0.02 0.26 0.80 -1.00 0.00 0.00 0.00 175.10 175.14 1i30 s HIS 246 N 0.74 3.23 -0.64 5.22 3.76 -1.26 -0.77 115.29 125.57 1i30 s HIS 246 Ca 0.37 0.89 0.06 0.00 -0.15 0.00 0.00 55.06 56.23 1i30 s HIS 246 Cb -0.18 -3.18 0.24 0.00 1.11 0.00 0.00 32.58 30.57 1i30 s HIS 246 CO 0.18 -0.53 0.70 0.28 -0.85 0.00 0.00 174.74 174.52 1i30 n VAL 247 N 5.47 2.12 -2.09 -0.90 0.31 -0.78 -4.74 118.33 117.73 1i30 n VAL 247 Ca 0.04 -5.11 0.02 0.00 -0.01 0.00 0.00 64.34 59.28 1i30 n VAL 247 Cb 0.48 -2.11 0.02 0.00 -0.91 0.00 0.00 33.84 31.32 1i30 n VAL 247 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1i30 n ASP 248 N 1.07 0.44 -1.75 4.52 5.75 -1.26 -2.34 116.55 122.98 1i30 n ASP 248 Ca 0.28 -2.10 -0.17 0.00 -0.01 0.00 0.00 54.79 52.80 1i30 n ASP 248 Cb 0.40 -0.25 -0.02 0.00 -1.03 0.00 0.00 41.12 40.22 1i30 n ASP 248 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i30 n GLY 249 N 0.04 0.20 2.06 6.12 0.00 -1.26 -2.45 105.19 109.91 1i30 n GLY 249 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 1i30 n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i30 n GLY 250 N -0.99 0.48 0.28 -0.02 0.00 -1.26 -2.80 105.19 100.88 1i30 n GLY 250 Ca -0.19 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 1i30 n GLY 250 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1i30 h PHE 251 N 0.00 -0.68 0.00 1.61 3.57 -1.83 -2.81 116.94 116.80 1i30 h PHE 251 Ca -0.01 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1i30 h PHE 251 Cb 0.08 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1i30 h PHE 251 CO 0.04 -0.35 -0.01 0.66 -2.23 0.00 0.00 178.31 176.42 1i30 h SER 252 N -0.45 0.00 -0.26 0.41 4.64 -1.93 -2.30 113.55 113.66 1i30 h SER 252 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1i30 h SER 252 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1i30 h SER 252 CO -0.16 0.01 0.00 2.30 -0.87 0.00 0.00 176.83 178.11 1i30 n ILE 253 N -3.25 0.34 -3.65 0.95 -6.64 -1.06 -4.90 119.36 101.15 1i30 n ILE 253 Ca -0.02 -0.50 -0.21 0.00 -1.77 0.00 0.00 62.75 60.24 1i30 n ILE 253 Cb 0.13 0.58 -0.04 0.00 -1.44 0.00 0.00 39.64 38.88 1i30 n ILE 253 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1i30 s ALA 254 N -1.66 3.98 -0.29 -1.28 0.00 -0.87 -5.13 121.76 116.52 1i30 s ALA 254 Ca 0.34 -1.88 -0.15 0.00 0.00 0.00 0.00 51.96 50.27 1i30 s ALA 254 Cb 0.19 -0.96 0.12 0.00 0.00 0.00 0.00 23.12 22.46 1i30 s ALA 254 CO 0.27 -0.19 0.80 0.00 0.00 0.00 0.00 175.76 176.65 1i30 s ALA 255 N -2.47 -2.12 -1.17 0.00 0.00 -1.26 -4.96 121.76 109.77 1i30 s ALA 255 Ca 0.47 2.31 0.00 0.00 0.00 0.00 0.00 51.96 54.73 1i30 s ALA 255 Cb -0.03 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.45 1i30 s ALA 255 CO 0.27 -0.52 0.00 -1.33 0.00 0.00 0.00 175.76 174.18 1i30 n MET 256 N 4.39 -1.05 0.00 0.00 2.81 -1.26 -5.26 117.12 116.75 1i30 n MET 256 Ca -0.17 0.68 0.08 0.00 -1.81 0.00 0.00 57.70 56.48 1i30 n MET 256 Cb 0.56 -4.91 0.45 0.00 -0.71 0.00 0.00 33.22 28.61 1i30 n MET 256 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57