#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i29 s PHE 3 N 0.00 2.53 -0.26 4.28 5.36 -1.26 -5.11 117.98 123.52 1i29 s PHE 3 Ca 0.00 -0.58 -0.01 0.00 -0.96 0.00 0.00 56.93 55.38 1i29 s PHE 3 Cb 0.00 -1.63 0.08 0.00 -0.34 0.00 0.00 43.02 41.13 1i29 s PHE 3 CO 0.00 -0.12 0.05 0.45 -1.46 0.00 0.00 175.22 174.13 1i29 s SER 4 N -0.24 3.61 0.50 6.13 0.15 -1.26 -4.99 113.70 117.59 1i29 s SER 4 Ca -0.01 -1.27 0.24 0.00 0.70 0.00 0.00 55.95 55.62 1i29 s SER 4 Cb -0.13 -0.83 1.31 0.00 -1.71 0.00 0.00 66.02 64.65 1i29 s SER 4 CO 0.03 -0.34 1.93 0.58 1.20 0.00 0.00 173.24 176.64 1i29 h VAL 5 N 6.53 0.69 0.00 4.45 2.07 -1.97 -0.86 116.25 127.17 1i29 h VAL 5 Ca -0.15 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1i29 h VAL 5 Cb 1.06 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1i29 h VAL 5 CO 0.41 0.03 -0.00 0.44 0.02 0.00 0.00 177.57 178.47 1i29 h ASP 6 N 0.14 -0.00 -0.78 0.57 3.32 -1.96 0.39 116.42 118.10 1i29 h ASP 6 Ca 0.35 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1i29 h ASP 6 Cb 1.18 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 1i29 h ASP 6 CO -0.05 0.22 0.38 0.11 -1.72 0.00 0.00 179.24 178.18 1i29 h LYS 7 N -0.22 1.12 0.31 3.56 6.56 -1.62 -2.85 116.57 123.43 1i29 h LYS 7 Ca -0.00 -0.16 -0.02 0.00 -1.06 0.00 0.00 60.65 59.42 1i29 h LYS 7 Cb 0.22 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 1i29 h LYS 7 CO 0.00 0.86 -0.15 0.28 -2.06 0.00 0.00 179.45 178.38 1i29 h VAL 8 N 1.12 0.58 0.00 0.50 2.07 -1.20 -3.10 116.25 116.21 1i29 h VAL 8 Ca 0.27 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1i29 h VAL 8 Cb 0.11 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1i29 h VAL 8 CO -0.04 0.12 0.24 0.03 0.02 0.00 0.00 177.57 177.95 1i29 h ARG 9 N -0.90 0.00 0.00 1.57 3.08 -0.96 0.14 114.38 117.32 1i29 h ARG 9 Ca -0.04 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1i29 h ARG 9 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1i29 h ARG 9 CO 0.07 0.00 -0.24 0.00 -1.07 0.00 0.00 179.97 178.73 1i29 h ALA 10 N 1.48 1.16 0.00 0.04 0.00 -1.42 -2.91 119.26 117.61 1i29 h ALA 10 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1i29 h ALA 10 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1i29 h ALA 10 CO 0.00 0.31 -0.43 -0.44 0.00 0.00 0.00 179.25 178.68 1i29 h ASP 11 N 0.00 0.00 -3.12 0.00 3.45 -0.82 -3.43 116.42 112.50 1i29 h ASP 11 Ca -0.00 -0.08 -0.76 0.00 0.43 0.00 0.00 57.03 56.62 1i29 h ASP 11 Cb 0.62 0.00 -0.24 0.00 -0.56 0.00 0.00 39.33 39.15 1i29 h ASP 11 CO 0.03 0.04 -0.24 -0.36 -1.57 0.00 0.00 179.24 177.14 1i29 s PHE 12 N -3.20 3.26 0.47 4.55 0.40 -1.10 -0.02 117.98 122.34 1i29 s PHE 12 Ca 0.06 -1.31 0.17 0.00 -0.60 0.00 0.00 56.93 55.25 1i29 s PHE 12 Cb 0.11 -3.75 1.16 0.00 0.51 0.00 0.00 43.02 41.05 1i29 s PHE 12 CO 0.70 -1.01 2.05 -1.00 0.70 0.00 0.00 175.22 176.65 1i29 h PRO 13 N 8.85 0.00 0.00 0.24 0.13 -1.83 -2.64 132.00 136.75 1i29 h PRO 13 Ca -0.29 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1i29 h PRO 13 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1i29 h PRO 13 CO 1.02 0.13 -0.13 0.28 -0.23 0.00 0.00 178.00 179.07 1i29 h VAL 14 N 0.00 0.79 0.00 1.56 2.07 -1.92 -2.86 116.25 115.89 1i29 h VAL 14 Ca -0.00 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1i29 h VAL 14 Cb 0.25 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1i29 h VAL 14 CO 0.02 0.13 -0.11 -0.07 0.02 0.00 0.00 177.57 177.56 1i29 h LEU 15 N 0.00 0.00 -3.21 2.57 3.38 -1.81 -2.89 115.31 113.35 1i29 h LEU 15 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1i29 h LEU 15 Cb 0.29 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.89 1i29 h LEU 15 CO 0.02 0.11 0.33 -1.54 0.09 0.00 0.00 178.44 177.44 1i29 n SER 16 N -3.26 3.73 -4.90 -0.43 3.41 -1.08 -4.63 113.62 106.46 1i29 n SER 16 Ca 0.00 -2.98 -0.21 0.00 -0.26 0.00 0.00 58.87 55.42 1i29 n SER 16 Cb 0.35 -0.71 0.06 0.00 -0.26 0.00 0.00 64.21 63.66 1i29 n SER 16 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1i29 s ARG 17 N -2.26 2.31 0.14 4.33 3.52 -1.09 -5.01 118.95 120.89 1i29 s ARG 17 Ca 0.39 -0.99 0.07 0.00 -0.13 0.00 0.00 55.73 55.07 1i29 s ARG 17 Cb 0.32 -2.48 -0.04 0.00 -1.56 0.00 0.00 34.95 31.19 1i29 s ARG 17 CO 0.09 -0.89 -0.16 -1.21 -0.81 0.00 0.00 175.30 172.31 1i29 s GLU 18 N -4.82 1.13 -0.03 5.12 2.02 -1.26 -2.39 118.70 118.47 1i29 s GLU 18 Ca 0.60 -1.29 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 1i29 s GLU 18 Cb -0.09 -1.12 0.03 0.00 0.10 0.00 0.00 34.13 33.06 1i29 s GLU 18 CO 0.40 0.23 0.05 0.08 0.02 0.00 0.00 175.26 176.03 1i29 s VAL 19 N -2.00 -0.07 -1.51 2.63 1.01 0.10 -4.79 120.40 115.78 1i29 s VAL 19 Ca 0.11 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1i29 s VAL 19 Cb -0.06 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.21 1i29 s VAL 19 CO 0.05 0.10 0.13 0.59 0.00 0.00 0.00 175.10 175.97 1i29 n ASN 20 N 4.36 -5.25 0.00 3.32 3.02 -1.26 -0.91 115.26 118.53 1i29 n ASN 20 Ca -0.24 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 1i29 n ASN 20 Cb 0.50 -4.37 0.00 0.00 -0.61 0.00 0.00 39.78 35.31 1i29 n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i29 n GLY 21 N -1.05 2.09 3.67 7.41 0.00 -1.26 -4.96 105.19 111.09 1i29 n GLY 21 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1i29 n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i29 s LEU 22 N 0.00 3.28 0.25 0.99 1.02 -0.09 -5.06 118.68 119.08 1i29 s LEU 22 Ca 0.00 -0.57 -0.31 0.00 0.02 0.00 0.00 54.13 53.27 1i29 s LEU 22 Cb 0.00 -1.82 -0.11 0.00 0.02 0.00 0.00 46.19 44.28 1i29 s LEU 22 CO 0.00 0.01 1.58 -2.84 0.02 0.00 0.00 176.35 175.12 1i29 s PRO 23 N -3.62 4.16 0.10 1.29 0.02 -1.26 0.01 135.00 135.70 1i29 s PRO 23 Ca 0.31 2.50 -0.31 0.00 0.02 0.00 0.00 61.00 63.52 1i29 s PRO 23 Cb -0.07 -3.07 -0.07 0.00 0.02 0.00 0.00 34.50 31.31 1i29 s PRO 23 CO 0.20 -0.61 1.38 -1.17 -0.33 0.00 0.00 177.00 176.47 1i29 s LEU 24 N 0.03 4.36 -0.67 -5.54 2.96 -1.00 -4.77 118.68 114.05 1i29 s LEU 24 Ca 0.65 2.27 0.01 0.00 -0.22 0.00 0.00 54.13 56.85 1i29 s LEU 24 Cb -0.46 -3.58 0.17 0.00 0.50 0.00 0.00 46.19 42.81 1i29 s LEU 24 CO 0.42 -0.65 0.47 0.00 -1.32 0.00 0.00 176.35 175.27 1i29 s ALA 25 N 1.27 3.70 -0.73 5.97 0.00 -0.17 -4.93 121.76 126.87 1i29 s ALA 25 Ca 0.64 -3.52 -0.26 0.00 0.00 0.00 0.00 51.96 48.82 1i29 s ALA 25 Cb -0.36 -2.44 -0.00 0.00 0.00 0.00 0.00 23.12 20.32 1i29 s ALA 25 CO 0.30 -2.09 1.68 -0.47 0.00 0.00 0.00 175.76 175.17 1i29 s TYR 26 N -0.71 1.93 -0.51 0.00 6.14 -1.26 -1.49 117.35 121.45 1i29 s TYR 26 Ca 0.21 0.38 0.03 0.00 0.64 0.00 0.00 57.07 58.33 1i29 s TYR 26 Cb -0.16 -4.29 0.42 0.00 0.42 0.00 0.00 41.96 38.36 1i29 s TYR 26 CO -0.07 -2.12 1.45 1.28 0.64 0.00 0.00 175.55 176.72 1i29 n LEU 27 N 11.66 5.76 -1.05 6.97 4.77 -0.60 -4.56 117.00 139.95 1i29 n LEU 27 Ca 0.20 -4.87 0.04 0.00 -0.03 0.00 0.00 56.01 51.34 1i29 n LEU 27 Cb 0.50 -0.62 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 1i29 n LEU 27 CO 0.69 2.00 0.18 -0.67 -1.33 0.00 0.00 177.39 178.25 1i29 n ASP 28 N -0.62 0.96 0.33 -1.43 4.64 -1.23 -0.74 116.55 118.47 1i29 n ASP 28 Ca 0.47 -2.36 0.21 0.00 -1.38 0.00 0.00 54.79 51.73 1i29 n ASP 28 Cb 0.67 -0.32 1.12 0.00 -1.04 0.00 0.00 41.12 41.55 1i29 n ASP 28 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 1i29 h SER 29 N 0.71 0.00 0.94 1.67 0.02 -1.80 -0.16 113.55 114.93 1i29 h SER 29 Ca -0.13 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1i29 h SER 29 Cb 1.59 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.13 1i29 h SER 29 CO 0.06 0.00 -0.09 0.00 -1.14 0.00 0.00 176.83 175.65 1i29 h ALA 30 N 1.85 1.03 0.10 3.77 0.00 -1.91 -2.48 119.26 121.61 1i29 h ALA 30 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.52 1i29 h ALA 30 Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1i29 h ALA 30 CO 0.00 0.12 -1.54 0.00 0.00 0.00 0.00 179.25 177.83 1i29 h ALA 31 N 1.91 0.34 -1.01 0.00 0.00 -1.42 -3.47 119.26 115.60 1i29 h ALA 31 Ca -0.00 -1.15 0.22 0.00 0.00 0.00 0.00 54.91 53.98 1i29 h ALA 31 Cb 0.59 0.30 -0.34 0.00 0.00 0.00 0.00 17.79 18.34 1i29 h ALA 31 CO 0.01 1.20 0.81 0.45 0.00 0.00 0.00 179.25 181.72 1i29 s SER 32 N -6.87 -0.01 0.50 0.00 0.15 -0.96 -4.93 113.70 101.58 1i29 s SER 32 Ca -0.09 0.01 -0.11 0.00 0.70 0.00 0.00 55.95 56.47 1i29 s SER 32 Cb 0.07 0.93 -0.05 0.00 -1.71 0.00 0.00 66.02 65.26 1i29 s SER 32 CO 0.84 -0.00 0.89 0.00 1.20 0.00 0.00 173.24 176.17 1i29 s ALA 33 N 0.93 3.24 0.76 5.45 0.00 -0.98 -4.16 121.76 127.00 1i29 s ALA 33 Ca -0.07 -0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 1i29 s ALA 33 Cb -0.02 -2.86 0.05 0.00 0.00 0.00 0.00 23.12 20.28 1i29 s ALA 33 CO -0.10 -0.32 1.12 -0.65 0.00 0.00 0.00 175.76 175.81 1i29 s GLN 34 N -4.47 2.40 0.02 0.00 -1.52 -1.26 -4.72 119.66 110.10 1i29 s GLN 34 Ca 0.53 0.41 0.06 0.00 -1.95 0.00 0.00 55.36 54.41 1i29 s GLN 34 Cb -0.10 -1.97 -0.03 0.00 -0.22 0.00 0.00 33.01 30.68 1i29 s GLN 34 CO 0.41 -1.35 -0.18 0.15 -0.25 0.00 0.00 175.29 174.07 1i29 s LYS 35 N -5.36 2.16 0.43 2.91 3.01 -1.26 -4.33 119.74 117.29 1i29 s LYS 35 Ca 0.60 -0.92 -0.15 0.00 -1.01 0.00 0.00 55.97 54.49 1i29 s LYS 35 Cb -0.12 -2.22 -0.08 0.00 -1.01 0.00 0.00 37.83 34.40 1i29 s LYS 35 CO 0.52 0.56 0.86 -1.25 0.51 0.00 0.00 175.35 176.55 1i29 s PRO 36 N -1.26 3.94 0.47 -1.68 0.04 -1.26 -4.57 135.00 130.68 1i29 s PRO 36 Ca 0.14 0.77 0.29 0.00 0.04 0.00 0.00 61.00 62.24 1i29 s PRO 36 Cb -0.10 -2.28 1.60 0.00 0.04 0.00 0.00 34.50 33.75 1i29 s PRO 36 CO 0.04 -0.08 1.89 0.66 0.04 0.00 0.00 177.00 179.55 1i29 h SER 37 N 1.41 0.00 -0.21 6.66 4.64 -0.83 -0.57 113.55 124.66 1i29 h SER 37 Ca -0.47 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.67 1i29 h SER 37 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1i29 h SER 37 CO 0.63 0.00 -0.53 1.56 -0.87 0.00 0.00 176.83 177.62 1i29 h GLN 38 N 0.00 0.80 -0.12 4.77 7.50 -1.92 -1.77 115.11 124.37 1i29 h GLN 38 Ca 0.00 -0.49 -0.20 0.00 0.50 0.00 0.00 58.65 58.46 1i29 h GLN 38 Cb 0.13 0.05 0.01 0.00 0.05 0.00 0.00 27.48 27.73 1i29 h GLN 38 CO 0.00 1.12 -0.69 0.28 -1.50 0.00 0.00 178.83 178.04 1i29 h VAL 39 N 0.61 1.31 -0.38 -0.54 2.07 -1.44 -2.15 116.25 115.74 1i29 h VAL 39 Ca 0.02 -1.94 -0.03 0.00 0.82 0.00 0.00 66.70 65.56 1i29 h VAL 39 Cb 1.12 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 1i29 h VAL 39 CO 0.11 0.60 0.11 0.40 0.02 0.00 0.00 177.57 178.81 1i29 h ILE 40 N 0.35 1.22 -0.03 4.57 2.04 -1.42 -3.01 117.51 121.24 1i29 h ILE 40 Ca -0.05 -0.73 -0.17 0.00 1.00 0.00 0.00 64.86 64.91 1i29 h ILE 40 Cb 1.33 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1i29 h ILE 40 CO 0.14 0.25 -0.74 0.44 0.00 0.00 0.00 178.15 178.25 1i29 h ASP 41 N 0.47 0.21 -1.00 1.72 3.45 -1.41 -2.47 116.42 117.39 1i29 h ASP 41 Ca 0.12 -0.15 0.14 0.00 0.43 0.00 0.00 57.03 57.57 1i29 h ASP 41 Cb 0.28 -0.06 -0.09 0.00 -0.56 0.00 0.00 39.33 38.89 1i29 h ASP 41 CO -0.00 0.88 0.63 0.00 -1.57 0.00 0.00 179.24 179.17 1i29 h ALA 42 N 1.12 1.55 0.01 3.45 0.00 -1.26 0.33 119.26 124.46 1i29 h ALA 42 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1i29 h ALA 42 Cb 1.30 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1i29 h ALA 42 CO 0.11 0.16 -0.05 1.49 0.00 0.00 0.00 179.25 180.96 1i29 h GLU 43 N 0.94 0.02 -0.48 0.00 4.81 -1.47 -3.20 114.58 115.20 1i29 h GLU 43 Ca 0.52 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.81 1i29 h GLU 43 Cb 0.59 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.90 1i29 h GLU 43 CO -0.29 0.95 0.01 0.00 -0.73 0.00 0.00 179.01 178.94 1i29 h ALA 44 N 0.08 0.46 -0.69 2.92 0.00 -0.93 -1.62 119.26 119.47 1i29 h ALA 44 Ca -0.01 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1i29 h ALA 44 Cb 0.97 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1i29 h ALA 44 CO 0.01 -0.38 0.40 0.93 0.00 0.00 0.00 179.25 180.21 1i29 h GLU 45 N 0.12 0.71 -0.51 0.00 4.39 -0.50 -1.68 114.58 117.12 1i29 h GLU 45 Ca 0.24 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.98 1i29 h GLU 45 Cb 0.36 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.79 1i29 h GLU 45 CO -0.40 0.47 0.15 0.35 -1.16 0.00 0.00 179.01 178.43 1i29 h PHE 46 N 0.74 0.27 -0.03 4.33 3.57 -1.30 0.17 116.94 124.68 1i29 h PHE 46 Ca 0.31 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.77 1i29 h PHE 46 Cb 0.17 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1i29 h PHE 46 CO -0.07 0.06 -0.27 1.88 -2.23 0.00 0.00 178.31 177.68 1i29 h TYR 47 N 0.32 0.05 0.15 0.41 0.05 -0.90 -1.44 116.97 115.61 1i29 h TYR 47 Ca 0.25 -0.01 -0.33 0.00 0.05 0.00 0.00 58.73 58.69 1i29 h TYR 47 Cb 0.30 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1i29 h TYR 47 CO -0.19 0.32 -1.64 0.00 -1.05 0.00 0.00 178.16 175.60 1i29 h ARG 48 N 0.05 0.32 0.00 4.88 3.08 -0.43 -3.40 114.38 118.88 1i29 h ARG 48 Ca 0.01 -0.55 -0.17 0.00 0.07 0.00 0.00 59.98 59.33 1i29 h ARG 48 Cb 0.50 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1i29 h ARG 48 CO 0.04 1.21 -1.66 0.72 -1.07 0.00 0.00 179.97 179.21 1i29 n HIS 49 N -3.52 0.00 -2.60 3.04 8.25 0.51 -4.87 115.22 116.04 1i29 n HIS 49 Ca -0.20 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.22 1i29 n HIS 49 Cb 1.06 -0.47 0.05 0.00 1.12 0.00 0.00 29.99 31.75 1i29 n HIS 49 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i29 n GLY 50 N 2.48 2.62 3.73 -1.41 0.00 -0.61 -5.07 105.19 106.93 1i29 n GLY 50 Ca -0.16 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 1i29 n GLY 50 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1i29 s TYR 51 N -3.21 3.81 0.11 1.61 5.04 -0.80 -4.74 117.35 119.17 1i29 s TYR 51 Ca 0.33 1.79 -0.26 0.00 -2.44 0.00 0.00 57.07 56.49 1i29 s TYR 51 Cb 0.35 -3.05 0.07 0.00 0.35 0.00 0.00 41.96 39.68 1i29 s TYR 51 CO -0.05 0.21 0.87 0.00 -1.34 0.00 0.00 175.55 175.24 1i29 s ALA 52 N 0.01 -1.66 0.23 3.97 0.00 -1.26 -4.93 121.76 118.11 1i29 s ALA 52 Ca 0.47 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 1i29 s ALA 52 Cb -0.23 0.61 -0.09 0.00 0.00 0.00 0.00 23.12 23.41 1i29 s ALA 52 CO 0.30 -0.89 1.08 0.00 0.00 0.00 0.00 175.76 176.25 1i29 s ALA 53 N -3.34 3.38 0.00 0.00 0.00 -1.26 -4.89 121.76 115.65 1i29 s ALA 53 Ca 0.08 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1i29 s ALA 53 Cb -0.02 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1i29 s ALA 53 CO -0.03 -0.14 0.00 1.33 0.00 0.00 0.00 175.76 176.92 1i29 n VAL 54 N 1.71 0.00 -1.85 0.00 0.24 -1.26 -4.48 118.33 112.69 1i29 n VAL 54 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.14 1i29 n VAL 54 Cb 0.46 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.78 1i29 n VAL 54 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1i29 n HIS 55 N 0.00 -0.35 -3.00 6.34 8.25 -1.26 -4.12 115.22 121.08 1i29 n HIS 55 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1i29 n HIS 55 Cb 0.00 -3.06 -0.00 0.00 1.12 0.00 0.00 29.99 28.04 1i29 n HIS 55 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1i29 n ARG 56 N -2.55 -1.65 -3.37 -0.41 0.00 -1.26 -5.00 116.66 102.42 1i29 n ARG 56 Ca -0.18 1.60 -0.20 0.00 -0.00 0.00 0.00 57.85 59.07 1i29 n ARG 56 Cb 0.59 -2.38 -0.00 0.00 -0.00 0.00 0.00 32.46 30.67 1i29 n ARG 56 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1i29 s GLY 57 N -0.92 2.05 0.15 2.89 0.00 -1.26 -4.99 107.32 105.24 1i29 s GLY 57 Ca -0.03 -1.79 -0.09 0.00 0.00 0.00 0.00 44.72 42.81 1i29 s GLY 57 CO 0.26 -1.68 1.44 -2.22 0.00 0.00 0.00 173.10 170.90 1i29 h ILE 58 N 0.73 1.29 -4.29 0.90 5.03 -1.96 -3.38 117.51 115.83 1i29 h ILE 58 Ca -0.38 -1.75 -0.49 0.00 -0.12 0.00 0.00 64.86 62.12 1i29 h ILE 58 Cb 1.28 1.67 0.11 0.00 -3.03 0.00 0.00 36.82 36.85 1i29 h ILE 58 CO 0.51 0.56 0.33 -1.38 -0.68 0.00 0.00 178.15 177.50 1i29 s HIS 59 N -4.09 2.80 0.04 1.37 0.00 -1.26 -4.89 115.29 109.26 1i29 s HIS 59 Ca -0.10 1.13 -0.25 0.00 -3.00 0.00 0.00 55.06 52.84 1i29 s HIS 59 Cb 0.11 -3.14 -0.14 0.00 -4.00 0.00 0.00 32.58 25.41 1i29 s HIS 59 CO 0.88 -1.82 1.37 1.15 -1.00 0.00 0.00 174.74 175.31 1i29 h THR 60 N -1.12 0.00 -0.94 -5.38 2.02 -1.99 -2.14 112.91 103.36 1i29 h THR 60 Ca -0.47 -0.01 0.18 0.00 0.77 0.00 0.00 66.41 66.88 1i29 h THR 60 Cb 1.27 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.58 1i29 h THR 60 CO 0.59 0.00 0.53 -0.07 0.37 0.00 0.00 175.52 176.95 1i29 h LEU 61 N -0.90 0.66 -0.32 2.58 4.07 -1.95 0.99 115.31 120.44 1i29 h LEU 61 Ca -0.09 0.10 0.01 0.00 0.08 0.00 0.00 57.88 57.97 1i29 h LEU 61 Cb 0.69 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.40 1i29 h LEU 61 CO 0.15 0.24 0.20 -1.28 -1.08 0.00 0.00 178.44 176.67 1i29 h SER 62 N 0.69 0.34 0.53 -0.43 0.87 -1.77 0.10 113.55 113.87 1i29 h SER 62 Ca 0.54 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.98 1i29 h SER 62 Cb 0.82 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 1i29 h SER 62 CO -0.39 0.25 -0.52 0.00 -0.53 0.00 0.00 176.83 175.64 1i29 h ALA 63 N 1.12 1.14 -0.13 6.23 0.00 -0.51 -2.03 119.26 125.09 1i29 h ALA 63 Ca 0.12 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 1i29 h ALA 63 Cb -0.03 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1i29 h ALA 63 CO -0.04 0.64 -0.66 1.96 0.00 0.00 0.00 179.25 181.16 1i29 h GLN 64 N 0.00 0.67 -0.63 0.00 4.20 -0.39 -2.60 115.11 116.35 1i29 h GLN 64 Ca -0.01 -0.55 -0.07 0.00 0.06 0.00 0.00 58.65 58.08 1i29 h GLN 64 Cb 0.92 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 1i29 h GLN 64 CO 0.07 1.17 0.10 0.00 -0.67 0.00 0.00 178.83 179.50 1i29 h ALA 65 N 0.51 0.84 -0.77 3.87 0.00 -0.75 -1.54 119.26 121.41 1i29 h ALA 65 Ca -0.05 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1i29 h ALA 65 Cb 1.30 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1i29 h ALA 65 CO 0.14 0.60 0.51 1.15 0.00 0.00 0.00 179.25 181.64 1i29 h THR 66 N 0.96 1.11 -0.05 0.00 2.02 -1.34 -1.06 112.91 114.55 1i29 h THR 66 Ca 0.19 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 1i29 h THR 66 Cb 0.43 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1i29 h THR 66 CO 0.01 0.17 -0.29 -0.08 0.37 0.00 0.00 175.52 175.70 1i29 h GLU 67 N 0.93 0.29 -0.84 6.66 4.81 -1.10 -2.96 114.58 122.36 1i29 h GLU 67 Ca 0.31 -0.24 0.11 0.00 -0.13 0.00 0.00 59.36 59.41 1i29 h GLU 67 Cb 0.07 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.43 1i29 h GLU 67 CO -0.09 0.89 0.48 0.87 -0.73 0.00 0.00 179.01 180.42 1i29 h LYS 68 N -0.24 0.75 -0.34 1.92 1.57 -0.93 -0.63 116.57 118.67 1i29 h LYS 68 Ca -0.02 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1i29 h LYS 68 Cb 0.95 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 1i29 h LYS 68 CO 0.06 0.49 0.17 1.98 -0.57 0.00 0.00 179.45 181.59 1i29 h MET 69 N 0.77 0.35 0.00 3.15 4.05 -1.21 -2.42 114.93 119.61 1i29 h MET 69 Ca 0.42 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.74 1i29 h MET 69 Cb 0.43 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1i29 h MET 69 CO -0.27 0.23 -0.38 0.93 0.23 0.00 0.00 176.91 177.65 1i29 h GLU 70 N 0.36 0.00 -0.28 0.39 4.39 -1.16 -2.69 114.58 115.59 1i29 h GLU 70 Ca 0.14 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 1i29 h GLU 70 Cb 0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1i29 h GLU 70 CO -0.09 0.38 -0.28 -0.91 -1.16 0.00 0.00 179.01 176.95 1i29 h ASN 71 N 0.00 0.58 -0.51 1.42 -0.26 -0.73 -1.16 115.58 114.93 1i29 h ASN 71 Ca -0.00 -0.21 -0.07 0.00 -0.56 0.00 0.00 56.30 55.45 1i29 h ASN 71 Cb 0.80 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.88 1i29 h ASN 71 CO 0.05 0.84 0.05 0.58 -1.06 0.00 0.00 177.43 177.89 1i29 h VAL 72 N 0.49 1.26 -0.56 2.81 2.07 -1.13 0.14 116.25 121.33 1i29 h VAL 72 Ca 0.06 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.61 1i29 h VAL 72 Cb 0.74 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1i29 h VAL 72 CO 0.06 0.35 0.34 -0.09 0.02 0.00 0.00 177.57 178.25 1i29 h ARG 73 N 0.73 0.66 -0.03 1.57 2.43 -1.16 -0.33 114.38 118.24 1i29 h ARG 73 Ca 0.15 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1i29 h ARG 73 Cb 0.44 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1i29 h ARG 73 CO 0.02 0.44 0.01 -0.22 -1.51 0.00 0.00 179.97 178.71 1i29 h LYS 74 N 0.68 0.05 -0.84 0.20 3.11 -0.89 -1.74 116.57 117.15 1i29 h LYS 74 Ca 0.22 -0.01 0.06 0.00 -2.81 0.00 0.00 60.65 58.11 1i29 h LYS 74 Cb -0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.17 1i29 h LYS 74 CO -0.09 0.22 0.55 -0.09 -2.81 0.00 0.00 179.45 177.23 1i29 h ARG 75 N -0.13 0.92 -0.08 1.90 2.43 -0.42 -0.94 114.38 118.08 1i29 h ARG 75 Ca 0.01 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 1i29 h ARG 75 Cb 0.19 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1i29 h ARG 75 CO -0.00 0.61 -0.48 0.00 -1.51 0.00 0.00 179.97 178.59 1i29 h ALA 76 N 1.54 1.05 -0.52 2.80 0.00 -0.85 -1.63 119.26 121.65 1i29 h ALA 76 Ca 0.35 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1i29 h ALA 76 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1i29 h ALA 76 CO -0.12 0.64 0.07 0.66 0.00 0.00 0.00 179.25 180.50 1i29 h SER 77 N 0.16 0.79 -0.17 0.00 4.64 -0.26 -2.56 113.55 116.14 1i29 h SER 77 Ca 0.01 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.12 1i29 h SER 77 Cb 0.91 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1i29 h SER 77 CO 0.07 0.81 -0.08 -0.07 -0.87 0.00 0.00 176.83 176.69 1i29 h LEU 78 N 0.79 0.37 -0.67 5.97 3.38 -0.99 0.70 115.31 124.85 1i29 h LEU 78 Ca 0.16 -0.40 0.14 0.00 0.09 0.00 0.00 57.88 57.87 1i29 h LEU 78 Cb 0.37 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 40.90 1i29 h LEU 78 CO 0.01 0.69 -0.11 0.15 0.09 0.00 0.00 178.44 179.27 1i29 h PHE 79 N 0.05 -0.25 -0.02 1.13 3.04 -0.90 0.37 116.94 120.36 1i29 h PHE 79 Ca 0.04 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1i29 h PHE 79 Cb 0.55 0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.27 1i29 h PHE 79 CO 0.06 -0.26 -0.00 0.44 -2.02 0.00 0.00 178.31 176.53 1i29 n ILE 80 N -5.40 0.00 -3.23 1.41 -5.35 -1.09 -4.63 119.36 101.07 1i29 n ILE 80 Ca 0.09 -0.30 -0.16 0.00 -0.27 0.00 0.00 62.75 62.12 1i29 n ILE 80 Cb 0.37 0.69 0.07 0.00 -1.74 0.00 0.00 39.64 39.02 1i29 n ILE 80 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1i29 n ASN 81 N 0.38 -3.74 -4.78 7.28 5.15 0.13 -1.20 115.26 118.47 1i29 n ASN 81 Ca 0.18 -0.45 -0.32 0.00 -0.60 0.00 0.00 54.58 53.39 1i29 n ASN 81 Cb 0.40 -4.05 0.06 0.00 -0.53 0.00 0.00 39.78 35.66 1i29 n ASN 81 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i29 s ALA 82 N -3.26 2.46 0.24 5.20 0.00 0.23 -4.11 121.76 122.52 1i29 s ALA 82 Ca 0.23 0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 1i29 s ALA 82 Cb -0.10 -3.26 0.26 0.00 0.00 0.00 0.00 23.12 20.02 1i29 s ALA 82 CO 0.57 -1.41 1.72 -0.09 0.00 0.00 0.00 175.76 176.54 1i29 h ARG 83 N -0.55 0.83 -3.37 0.00 2.43 -1.95 -3.44 114.38 108.33 1i29 h ARG 83 Ca -0.45 -0.25 -0.10 0.00 -0.81 0.00 0.00 59.98 58.37 1i29 h ARG 83 Cb 1.23 -0.08 -0.17 0.00 -0.42 0.00 0.00 29.97 30.52 1i29 h ARG 83 CO 0.54 0.86 -0.31 -1.54 -1.51 0.00 0.00 179.97 178.02 1i29 s SER 84 N -6.66 -0.07 0.54 -3.80 1.04 -1.26 -5.04 113.70 98.45 1i29 s SER 84 Ca -0.10 -0.22 0.29 0.00 0.48 0.00 0.00 55.95 56.40 1i29 s SER 84 Cb 0.14 0.33 1.53 0.00 0.10 0.00 0.00 66.02 68.12 1i29 s SER 84 CO 0.82 -0.57 2.10 0.00 0.98 0.00 0.00 173.24 176.57 1i29 h ALA 85 N 3.39 1.28 0.00 5.32 0.00 -1.88 -2.20 119.26 125.17 1i29 h ALA 85 Ca -0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1i29 h ALA 85 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1i29 h ALA 85 CO 0.46 0.12 0.00 0.39 0.00 0.00 0.00 179.25 180.22 1i29 n GLU 86 N -3.61 0.92 0.00 0.00 1.02 -1.26 -2.38 120.64 115.32 1i29 n GLU 86 Ca -0.02 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.22 1i29 n GLU 86 Cb 0.22 -1.04 0.07 0.00 -0.02 0.00 0.00 31.44 30.67 1i29 n GLU 86 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1i29 n GLU 87 N -0.45 1.66 -4.36 3.49 1.02 -0.83 -4.07 120.64 117.09 1i29 n GLU 87 Ca 0.00 -1.58 -0.34 0.00 -0.02 0.00 0.00 57.16 55.22 1i29 n GLU 87 Cb 0.02 -1.37 -0.13 0.00 -0.02 0.00 0.00 31.44 29.95 1i29 n GLU 87 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1i29 s LEU 88 N -1.65 3.12 -0.06 -4.62 1.02 -1.00 -0.96 118.68 114.53 1i29 s LEU 88 Ca 0.22 -0.20 0.01 0.00 0.02 0.00 0.00 54.13 54.18 1i29 s LEU 88 Cb 0.16 -1.75 -0.03 0.00 0.02 0.00 0.00 46.19 44.59 1i29 s LEU 88 CO 0.26 0.13 -0.09 -0.69 0.02 0.00 0.00 176.35 175.98 1i29 s VAL 89 N 0.58 3.55 0.02 -1.59 1.01 0.69 -4.80 120.40 119.87 1i29 s VAL 89 Ca -0.03 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 1i29 s VAL 89 Cb -0.15 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1i29 s VAL 89 CO 0.03 0.60 0.70 -0.36 0.00 0.00 0.00 175.10 176.06 1i29 s PHE 90 N -0.78 3.70 0.26 5.22 2.99 -1.26 -0.89 117.98 127.23 1i29 s PHE 90 Ca 0.12 1.36 0.02 0.00 0.00 0.00 0.00 56.93 58.43 1i29 s PHE 90 Cb -0.11 -2.75 -0.04 0.00 0.00 0.00 0.00 43.02 40.12 1i29 s PHE 90 CO 0.01 0.28 0.16 0.14 -0.00 0.00 0.00 175.22 175.81 1i29 s VAL 91 N -0.01 0.18 0.15 -0.44 -7.23 -0.88 -4.90 120.40 107.27 1i29 s VAL 91 Ca 0.36 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.42 1i29 s VAL 91 Cb -0.19 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1i29 s VAL 91 CO 0.20 0.00 1.52 -0.09 -0.31 0.00 0.00 175.10 176.43 1i29 h ARG 92 N 2.37 0.94 0.00 4.82 2.43 -1.84 1.00 114.38 124.10 1i29 h ARG 92 Ca -0.34 -0.42 0.15 0.00 -0.81 0.00 0.00 59.98 58.56 1i29 h ARG 92 Cb 1.25 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1i29 h ARG 92 CO 0.51 1.08 0.38 0.41 -1.51 0.00 0.00 179.97 180.84 1i29 n GLY 93 N -0.06 0.46 0.21 2.80 0.00 -1.26 -1.01 105.19 106.33 1i29 n GLY 93 Ca -0.01 -0.92 -0.01 0.00 0.00 0.00 0.00 46.02 45.07 1i29 n GLY 93 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i29 h THR 94 N 1.42 0.60 -0.24 2.61 2.02 -1.93 -0.69 112.91 116.70 1i29 h THR 94 Ca -0.09 -0.05 0.06 0.00 0.77 0.00 0.00 66.41 67.10 1i29 h THR 94 Cb 0.50 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 1i29 h THR 94 CO 0.13 0.03 -0.17 0.74 0.37 0.00 0.00 175.52 176.61 1i29 h THR 95 N 0.14 0.52 -0.74 3.16 2.02 -1.95 -0.76 112.91 115.29 1i29 h THR 95 Ca 0.27 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.40 1i29 h THR 95 Cb 0.41 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1i29 h THR 95 CO -0.43 0.00 0.28 -0.08 0.37 0.00 0.00 175.52 175.66 1i29 h GLU 96 N -0.17 1.12 -0.25 6.66 4.81 -1.80 -2.44 114.58 122.51 1i29 h GLU 96 Ca 0.13 -0.21 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1i29 h GLU 96 Cb 0.37 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 1i29 h GLU 96 CO -0.34 0.92 -0.05 0.78 -0.73 0.00 0.00 179.01 179.59 1i29 h GLY 97 N 1.12 0.19 1.45 1.92 0.00 -0.13 -0.26 103.07 107.36 1i29 h GLY 97 Ca 0.25 0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.60 1i29 h GLY 97 CO -0.02 -0.09 0.05 -2.22 0.00 0.00 0.00 176.54 174.26 1i29 h ILE 98 N 0.01 1.22 -0.34 2.60 2.04 -1.04 -2.39 117.51 119.60 1i29 h ILE 98 Ca 0.12 -0.83 -0.09 0.00 1.00 0.00 0.00 64.86 65.05 1i29 h ILE 98 Cb 0.18 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1i29 h ILE 98 CO -0.25 0.30 -0.17 0.78 0.00 0.00 0.00 178.15 178.80 1i29 h ASN 99 N 0.66 0.62 0.03 1.72 2.35 -0.90 0.17 115.58 120.24 1i29 h ASN 99 Ca 0.14 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1i29 h ASN 99 Cb 0.34 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1i29 h ASN 99 CO 0.01 0.80 -0.02 0.25 -1.65 0.00 0.00 177.43 176.82 1i29 h LEU 100 N 0.56 -0.04 0.09 1.61 6.46 -0.62 -1.96 115.31 121.41 1i29 h LEU 100 Ca 0.09 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1i29 h LEU 100 Cb 0.61 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 1i29 h LEU 100 CO 0.04 0.13 -0.04 0.58 -0.62 0.00 0.00 178.44 178.53 1i29 h VAL 101 N -0.21 0.96 -1.02 1.05 2.07 -1.24 0.20 116.25 118.05 1i29 h VAL 101 Ca -0.00 -0.17 0.27 0.00 0.82 0.00 0.00 66.70 67.62 1i29 h VAL 101 Cb 0.20 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 1i29 h VAL 101 CO 0.01 0.04 0.69 0.00 0.02 0.00 0.00 177.57 178.33 1i29 h ALA 102 N 0.72 2.47 0.00 1.67 0.00 -0.58 0.86 119.26 124.39 1i29 h ALA 102 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1i29 h ALA 102 Cb 0.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1i29 h ALA 102 CO 0.02 -0.82 -0.02 0.09 0.00 0.00 0.00 179.25 178.52 1i29 n ASN 103 N -4.48 0.07 -0.02 0.00 3.02 -0.75 -3.13 115.26 109.98 1i29 n ASN 103 Ca 0.23 0.24 -0.14 0.00 -0.03 0.00 0.00 54.58 54.88 1i29 n ASN 103 Cb 0.92 -0.51 -0.09 0.00 -0.61 0.00 0.00 39.78 39.49 1i29 n ASN 103 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1i29 h SER 104 N -0.04 -1.64 0.13 6.41 0.87 -0.65 -1.19 113.55 117.45 1i29 h SER 104 Ca 0.00 0.20 -0.19 0.00 -1.23 0.00 0.00 61.79 60.57 1i29 h SER 104 Cb 0.02 0.65 0.02 0.00 -0.44 0.00 0.00 62.40 62.64 1i29 h SER 104 CO 0.00 -0.47 -0.87 -0.25 -0.53 0.00 0.00 176.83 174.71 1i29 h TRP 105 N -0.55 0.50 0.15 2.24 7.01 -1.44 -3.37 115.95 120.49 1i29 h TRP 105 Ca 0.05 -0.36 0.01 0.00 2.11 0.00 0.00 58.89 60.69 1i29 h TRP 105 Cb 0.67 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.69 1i29 h TRP 105 CO -0.57 1.33 -0.18 0.78 -2.79 0.00 0.00 178.44 177.01 1i29 h GLY 106 N -0.35 -0.36 2.00 2.65 0.00 -0.81 -2.47 103.07 103.72 1i29 h GLY 106 Ca -0.16 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1i29 h GLY 106 CO 0.13 -0.17 0.00 3.43 0.00 0.00 0.00 176.54 179.92 1i29 h ASN 107 N -0.38 0.00 -0.11 0.19 2.35 -1.16 -1.86 115.58 114.61 1i29 h ASN 107 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1i29 h ASN 107 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1i29 h ASN 107 CO -0.07 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.17 1i29 n SER 108 N -2.44 2.42 0.00 5.81 3.41 -1.01 -4.68 113.62 117.14 1i29 n SER 108 Ca -0.02 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 1i29 n SER 108 Cb 0.05 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1i29 n SER 108 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1i29 n ASN 109 N -0.39 0.81 -4.31 4.04 3.02 -0.92 -5.01 115.26 112.51 1i29 n ASN 109 Ca 0.07 -0.03 -0.38 0.00 -0.03 0.00 0.00 54.58 54.21 1i29 n ASN 109 Cb 0.40 0.22 -0.12 0.00 -0.61 0.00 0.00 39.78 39.66 1i29 n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1i29 s VAL 110 N -0.38 3.94 0.31 2.41 1.01 -0.75 -4.99 120.40 121.95 1i29 s VAL 110 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.05 1i29 s VAL 110 Cb 0.00 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1i29 s VAL 110 CO 0.00 -0.11 0.46 -0.13 0.00 0.00 0.00 175.10 175.32 1i29 s ARG 111 N 1.45 3.34 0.31 2.72 1.81 -1.26 -4.84 118.95 122.47 1i29 s ARG 111 Ca 0.00 -0.70 -0.29 0.00 -1.72 0.00 0.00 55.73 53.02 1i29 s ARG 111 Cb -0.19 -2.79 -0.13 0.00 -0.45 0.00 0.00 34.95 31.40 1i29 s ARG 111 CO 0.03 0.21 1.35 0.00 -0.68 0.00 0.00 175.30 176.22 1i29 n ALA 112 N -1.61 1.38 0.00 2.13 0.00 -1.03 -1.82 120.51 119.55 1i29 n ALA 112 Ca -0.05 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1i29 n ALA 112 Cb 0.57 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1i29 n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i29 n GLY 113 N 1.27 0.07 3.97 0.00 0.00 -0.91 -4.94 105.19 104.66 1i29 n GLY 113 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1i29 n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i29 s ASP 114 N -2.02 5.52 0.08 1.61 1.01 -0.76 -4.83 116.67 117.28 1i29 s ASP 114 Ca 0.00 0.01 0.06 0.00 0.71 0.00 0.00 52.55 53.33 1i29 s ASP 114 Cb 0.00 -1.05 -0.03 0.00 1.01 0.00 0.00 42.92 42.84 1i29 s ASP 114 CO 0.00 -0.93 -0.15 0.54 0.21 0.00 0.00 175.17 174.84 1i29 s ASN 115 N -4.34 1.87 0.00 0.27 2.20 -0.20 0.90 114.94 115.64 1i29 s ASN 115 Ca 0.54 -0.65 0.08 0.00 -0.94 0.00 0.00 52.86 51.88 1i29 s ASN 115 Cb -0.10 -0.07 -0.02 0.00 -2.00 0.00 0.00 41.25 39.06 1i29 s ASN 115 CO 0.37 -0.06 -0.24 -0.63 -2.94 0.00 0.00 177.10 173.60 1i29 s ILE 116 N -1.35 1.94 -0.11 0.54 1.01 0.02 -1.59 121.20 121.66 1i29 s ILE 116 Ca 0.01 -1.14 0.01 0.00 0.00 0.00 0.00 60.65 59.52 1i29 s ILE 116 Cb -0.09 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 1i29 s ILE 116 CO 0.03 0.46 -0.13 -0.63 0.00 0.00 0.00 174.94 174.67 1i29 s ILE 117 N -0.65 3.09 0.18 2.92 1.01 -0.53 0.00 121.20 127.22 1i29 s ILE 117 Ca 0.10 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1i29 s ILE 117 Cb -0.09 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 1i29 s ILE 117 CO 0.00 0.54 -0.03 0.27 0.00 0.00 0.00 174.94 175.72 1i29 s ILE 118 N 0.09 0.92 0.61 2.92 -4.36 -0.07 -0.96 121.20 120.35 1i29 s ILE 118 Ca -0.06 -2.02 -0.02 0.00 -0.26 0.00 0.00 60.65 58.30 1i29 s ILE 118 Cb -0.15 -2.09 0.04 0.00 1.25 0.00 0.00 42.46 41.52 1i29 s ILE 118 CO 0.04 -0.52 0.86 -0.94 0.24 0.00 0.00 174.94 174.62 1i29 s SER 119 N -3.21 5.10 0.00 4.36 1.04 -1.26 -0.55 113.70 119.19 1i29 s SER 119 Ca 0.23 0.15 0.27 0.00 0.48 0.00 0.00 55.95 57.07 1i29 s SER 119 Cb 0.05 -0.94 0.80 0.00 0.10 0.00 0.00 66.02 66.02 1i29 s SER 119 CO 0.04 -1.31 1.60 1.67 0.98 0.00 0.00 173.24 176.21 1i29 n GLN 120 N -2.55 0.57 -0.30 4.02 7.27 -0.95 -3.62 117.38 121.81 1i29 n GLN 120 Ca 0.08 -0.30 0.11 0.00 0.07 0.00 0.00 57.00 56.96 1i29 n GLN 120 Cb 0.60 -1.49 0.27 0.00 2.41 0.00 0.00 30.24 32.03 1i29 n GLN 120 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1i29 n MET 121 N -0.95 2.65 -2.11 3.69 0.00 -1.26 -3.74 117.12 115.40 1i29 n MET 121 Ca 0.11 -2.48 -0.40 0.00 0.00 0.00 0.00 57.70 54.92 1i29 n MET 121 Cb 0.33 -1.52 -0.02 0.00 0.00 0.00 0.00 33.22 32.02 1i29 n MET 121 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1i29 s GLU 122 N -1.12 4.20 0.53 3.17 0.41 -1.24 -4.84 118.70 119.81 1i29 s GLU 122 Ca 0.43 2.16 -0.20 0.00 -0.41 0.00 0.00 54.97 56.96 1i29 s GLU 122 Cb 0.23 -2.93 -0.06 0.00 -1.78 0.00 0.00 34.13 29.59 1i29 s GLU 122 CO 0.31 -0.30 1.13 -1.58 -0.49 0.00 0.00 175.26 174.32 1i29 s HIS 123 N -1.20 2.70 0.59 1.61 5.65 -1.26 -4.79 115.29 118.59 1i29 s HIS 123 Ca 0.52 1.54 0.29 0.00 0.25 0.00 0.00 55.06 57.67 1i29 s HIS 123 Cb -0.38 -3.29 1.35 0.00 -1.18 0.00 0.00 32.58 29.08 1i29 s HIS 123 CO 0.50 -1.54 1.73 0.45 -0.65 0.00 0.00 174.74 175.23 1i29 h HIS 124 N 1.29 0.00 0.00 3.88 3.86 -1.39 0.27 115.15 123.06 1i29 h HIS 124 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1i29 h HIS 124 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 1i29 h HIS 124 CO 0.52 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.31 1i29 h ALA 125 N 1.20 1.00 -0.81 2.45 0.00 -1.90 -2.28 119.26 118.92 1i29 h ALA 125 Ca 0.33 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.66 1i29 h ALA 125 Cb 1.78 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 19.18 1i29 h ALA 125 CO -0.00 0.00 -0.39 -1.71 0.00 0.00 0.00 179.25 177.15 1i29 n ASN 126 N -2.98 5.64 0.05 0.00 5.15 0.94 -4.46 115.26 119.60 1i29 n ASN 126 Ca 0.01 -3.76 0.00 0.00 -0.60 0.00 0.00 54.58 50.23 1i29 n ASN 126 Cb 0.32 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 1i29 n ASN 126 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1i29 n ILE 127 N -0.76 0.00 -0.12 -1.44 5.41 -1.06 -4.77 119.36 116.62 1i29 n ILE 127 Ca 0.49 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 64.19 1i29 n ILE 127 Cb 0.89 -0.13 0.03 0.00 -0.71 0.00 0.00 39.64 39.72 1i29 n ILE 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1i29 h VAL 128 N 0.00 0.66 -0.83 1.39 2.07 -1.69 -0.36 116.25 117.50 1i29 h VAL 128 Ca 0.00 -0.02 0.17 0.00 0.82 0.00 0.00 66.70 67.66 1i29 h VAL 128 Cb 0.00 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 1i29 h VAL 128 CO 0.00 0.01 0.55 -0.65 0.02 0.00 0.00 177.57 177.50 1i29 h PRO 129 N 0.07 0.44 0.14 1.57 0.11 -1.79 -0.85 132.00 131.69 1i29 h PRO 129 Ca 0.20 -0.03 -0.31 0.00 0.11 0.00 0.00 66.00 65.98 1i29 h PRO 129 Cb 0.29 -0.10 0.03 0.00 0.11 0.00 0.00 31.00 31.33 1i29 h PRO 129 CO -0.36 0.29 -1.28 -1.49 -0.21 0.00 0.00 178.00 174.95 1i29 h TRP 130 N 0.45 1.02 -0.95 0.65 -0.00 -1.60 -2.60 115.95 112.92 1i29 h TRP 130 Ca 0.42 -0.66 0.01 0.00 -0.00 0.00 0.00 58.89 58.66 1i29 h TRP 130 Cb 0.95 -0.08 -0.05 0.00 -0.00 0.00 0.00 29.16 29.98 1i29 h TRP 130 CO -0.00 1.49 0.63 1.96 -0.00 0.00 0.00 178.44 182.52 1i29 h GLN 131 N 0.26 1.24 -0.15 0.49 4.20 -0.31 -1.19 115.11 119.66 1i29 h GLN 131 Ca -0.20 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1i29 h GLN 131 Cb 1.95 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 29.45 1i29 h GLN 131 CO 0.24 0.82 0.04 0.52 -0.67 0.00 0.00 178.83 179.79 1i29 h MET 132 N 1.28 0.23 -0.41 1.46 2.86 -1.21 -0.68 114.93 118.46 1i29 h MET 132 Ca 0.35 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 58.02 1i29 h MET 132 Cb -0.14 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.42 1i29 h MET 132 CO -0.08 0.36 -0.02 1.25 1.06 0.00 0.00 176.91 179.48 1i29 h LEU 133 N 0.05 -0.22 -1.23 1.22 5.85 -1.00 -0.95 115.31 119.04 1i29 h LEU 133 Ca 0.05 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1i29 h LEU 133 Cb 0.23 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1i29 h LEU 133 CO -0.00 -0.07 0.36 0.00 -0.34 0.00 0.00 178.44 178.38 1i29 h ALA 135 N 1.50 0.09 0.20 0.00 0.00 0.27 0.12 119.26 121.42 1i29 h ALA 135 Ca 0.23 0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.84 1i29 h ALA 135 Cb 0.02 0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1i29 h ALA 135 CO -0.04 -0.48 -1.67 0.07 0.00 0.00 0.00 179.25 177.13 1i29 h ARG 136 N 0.00 0.42 0.00 0.00 0.11 -1.25 -3.34 114.38 110.31 1i29 h ARG 136 Ca 0.06 -0.71 -0.03 0.00 0.10 0.00 0.00 59.98 59.40 1i29 h ARG 136 Cb 0.09 0.26 -0.00 0.00 1.11 0.00 0.00 29.97 31.43 1i29 h ARG 136 CO -0.13 1.33 -0.16 0.28 0.10 0.00 0.00 179.97 181.39 1i29 h VAL 137 N 0.11 0.31 -0.46 0.08 2.07 -0.99 -3.48 116.25 113.89 1i29 h VAL 137 Ca -0.31 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1i29 h VAL 137 Cb 2.11 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.83 1i29 h VAL 137 CO 0.20 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.56 1i29 n GLY 138 N 0.72 0.70 3.98 2.17 0.00 0.38 -2.48 105.19 110.66 1i29 n GLY 138 Ca 0.02 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 1i29 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i29 s ALA 139 N -2.46 4.28 -0.07 4.61 0.00 -1.03 -2.13 121.76 124.96 1i29 s ALA 139 Ca 0.00 -1.57 -0.09 0.00 0.00 0.00 0.00 51.96 50.30 1i29 s ALA 139 Cb 0.00 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 1i29 s ALA 139 CO 0.00 -0.12 0.23 -2.00 0.00 0.00 0.00 175.76 173.87 1i29 s GLU 140 N -4.21 3.59 -0.19 0.00 2.12 0.26 -4.74 118.70 115.52 1i29 s GLU 140 Ca 0.48 0.02 -0.05 0.00 0.36 0.00 0.00 54.97 55.78 1i29 s GLU 140 Cb -0.09 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 1i29 s GLU 140 CO 0.31 0.74 -0.01 -1.17 -0.54 0.00 0.00 175.26 174.59 1i29 s LEU 141 N -1.14 3.24 -0.02 2.70 2.96 -1.26 -0.80 118.68 124.37 1i29 s LEU 141 Ca 0.19 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 53.96 1i29 s LEU 141 Cb -0.13 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1i29 s LEU 141 CO 0.08 0.08 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.90 1i29 s ARG 142 N 0.90 2.34 -0.06 1.98 0.52 0.10 -4.94 118.95 119.78 1i29 s ARG 142 Ca 0.01 -0.80 0.05 0.00 -0.52 0.00 0.00 55.73 54.46 1i29 s ARG 142 Cb -0.14 -2.29 -0.02 0.00 0.52 0.00 0.00 34.95 33.02 1i29 s ARG 142 CO 0.02 0.59 -0.21 0.08 0.02 0.00 0.00 175.30 175.80 1i29 s VAL 143 N -0.77 2.44 -0.32 3.52 1.01 -1.26 -0.89 120.40 124.13 1i29 s VAL 143 Ca 0.12 -0.93 -0.27 0.00 0.00 0.00 0.00 61.98 60.90 1i29 s VAL 143 Cb -0.11 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.36 1i29 s VAL 143 CO 0.02 0.57 1.00 -0.63 0.00 0.00 0.00 175.10 176.05 1i29 s ILE 144 N -0.24 4.58 1.35 2.22 1.01 0.28 -4.92 121.20 125.49 1i29 s ILE 144 Ca -0.01 1.57 -0.19 0.00 0.00 0.00 0.00 60.65 62.03 1i29 s ILE 144 Cb -0.13 -4.35 0.35 0.00 0.01 0.00 0.00 42.46 38.34 1i29 s ILE 144 CO 0.03 -0.42 0.95 -2.16 0.00 0.00 0.00 174.94 173.34 1i29 s PRO 145 N 3.47 -2.35 0.22 2.79 0.04 -1.26 -2.25 135.00 135.66 1i29 s PRO 145 Ca 0.42 0.45 0.11 0.00 0.04 0.00 0.00 61.00 62.02 1i29 s PRO 145 Cb -0.13 -1.42 -0.05 0.00 0.04 0.00 0.00 34.50 32.95 1i29 s PRO 145 CO 0.15 -4.57 -0.22 -1.17 0.04 0.00 0.00 177.00 171.23 1i29 s LEU 146 N -7.71 2.50 0.19 -3.56 2.96 -1.26 -2.06 118.68 109.73 1i29 s LEU 146 Ca 0.69 -0.94 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 1i29 s LEU 146 Cb -0.19 -1.09 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 1i29 s LEU 146 CO 0.61 0.06 0.29 0.20 -1.32 0.00 0.00 176.35 176.20 1i29 s ASN 147 N -3.02 6.23 0.41 3.68 0.01 0.14 -4.74 114.94 117.65 1i29 s ASN 147 Ca 0.24 0.09 0.16 0.00 -0.71 0.00 0.00 52.86 52.64 1i29 s ASN 147 Cb -0.06 -1.83 1.04 0.00 0.41 0.00 0.00 41.25 40.80 1i29 s ASN 147 CO 0.11 0.01 1.87 -0.65 -1.51 0.00 0.00 177.10 176.93 1i29 h PRO 148 N 1.81 0.44 -0.50 -0.60 0.11 -2.01 -1.20 132.00 130.04 1i29 h PRO 148 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1i29 h PRO 148 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1i29 h PRO 148 CO 0.65 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.33 1i29 n ASP 149 N -4.52 0.50 -0.35 -2.05 5.75 -1.26 -4.64 116.55 109.98 1i29 n ASP 149 Ca 0.18 -1.93 -0.03 0.00 -0.01 0.00 0.00 54.79 53.00 1i29 n ASP 149 Cb 0.64 -0.25 -0.01 0.00 -1.03 0.00 0.00 41.12 40.47 1i29 n ASP 149 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i29 n GLY 150 N 0.23 0.34 3.42 6.12 0.00 -0.45 -1.11 105.19 113.74 1i29 n GLY 150 Ca 0.00 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 1i29 n GLY 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i29 s THR 151 N -2.16 2.33 0.41 2.61 -4.23 -1.24 -4.67 115.64 108.68 1i29 s THR 151 Ca 0.00 -1.98 -0.26 0.00 -1.18 0.00 0.00 61.69 58.27 1i29 s THR 151 Cb 0.00 -2.10 -0.09 0.00 1.34 0.00 0.00 72.50 71.66 1i29 s THR 151 CO 0.00 -0.08 1.29 -0.76 -0.54 0.00 0.00 174.62 174.53 1i29 s LEU 152 N -2.55 4.20 -1.23 4.79 1.02 -1.26 0.28 118.68 123.92 1i29 s LEU 152 Ca 0.19 2.62 -0.13 0.00 0.02 0.00 0.00 54.13 56.83 1i29 s LEU 152 Cb -0.08 -3.93 0.16 0.00 0.02 0.00 0.00 46.19 42.36 1i29 s LEU 152 CO 0.09 -0.85 1.53 1.67 0.02 0.00 0.00 176.35 178.81 1i29 n GLN 153 N 0.09 3.39 0.21 1.70 7.27 -0.88 -4.71 117.38 124.45 1i29 n GLN 153 Ca 0.04 -3.75 0.17 0.00 0.07 0.00 0.00 57.00 53.53 1i29 n GLN 153 Cb 0.44 -3.06 0.84 0.00 2.41 0.00 0.00 30.24 30.87 1i29 n GLN 153 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1i29 h LEU 154 N 9.63 0.00 -2.96 1.69 3.38 -1.91 -2.11 115.31 123.03 1i29 h LEU 154 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1i29 h LEU 154 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1i29 h LEU 154 CO 1.32 0.00 0.00 1.05 0.09 0.00 0.00 178.44 180.90 1i29 h GLU 155 N 0.00 0.00 -0.00 1.13 9.09 -2.00 -1.10 114.58 121.70 1i29 h GLU 155 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.49 1i29 h GLU 155 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 1i29 h GLU 155 CO -0.00 0.00 -0.14 0.25 0.05 0.00 0.00 179.01 179.17 1i29 n THR 156 N -3.13 0.00 -0.15 -1.06 -2.24 -0.79 -4.27 114.28 102.64 1i29 n THR 156 Ca -0.03 -0.02 -0.03 0.00 -2.27 0.00 0.00 64.05 61.71 1i29 n THR 156 Cb 0.07 -0.23 0.05 0.00 -2.10 0.00 0.00 70.33 68.12 1i29 n THR 156 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1i29 h LEU 157 N 0.15 -0.27 -1.79 3.22 4.07 -1.38 -2.38 115.31 116.93 1i29 h LEU 157 Ca 0.00 0.12 0.19 0.00 0.08 0.00 0.00 57.88 58.27 1i29 h LEU 157 Cb 0.44 0.23 -0.04 0.00 1.08 0.00 0.00 40.66 42.36 1i29 h LEU 157 CO 0.00 -0.09 0.52 -0.65 -1.08 0.00 0.00 178.44 177.14 1i29 h PRO 158 N 0.08 0.18 -0.54 1.13 0.11 -1.81 -0.29 132.00 130.86 1i29 h PRO 158 Ca 0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1i29 h PRO 158 Cb 0.36 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1i29 h PRO 158 CO -0.42 0.12 0.00 0.25 -0.21 0.00 0.00 178.00 177.74 1i29 n THR 159 N -4.40 0.79 -0.02 -1.15 -2.24 -0.90 -4.08 114.28 102.28 1i29 n THR 159 Ca 0.15 -0.73 -0.03 0.00 -2.27 0.00 0.00 64.05 61.18 1i29 n THR 159 Cb 0.69 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 69.21 1i29 n THR 159 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1i29 n LEU 160 N 1.01 2.42 -4.51 3.22 4.32 -0.21 -4.95 117.00 118.29 1i29 n LEU 160 Ca 0.18 -0.02 -0.42 0.00 -0.02 0.00 0.00 56.01 55.73 1i29 n LEU 160 Cb 0.48 -0.10 -0.04 0.00 -1.62 0.00 0.00 43.42 42.14 1i29 n LEU 160 CO 0.13 0.47 0.86 -0.36 -1.22 0.00 0.00 177.39 177.27 1i29 s PHE 161 N -2.08 2.64 0.00 -1.77 0.08 -0.67 -4.92 117.98 111.26 1i29 s PHE 161 Ca -0.05 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 56.84 1i29 s PHE 161 Cb 0.01 -4.29 0.00 0.00 -0.57 0.00 0.00 43.02 38.17 1i29 s PHE 161 CO 0.10 -1.61 0.00 -0.40 -0.10 0.00 0.00 175.22 173.21 1i29 n ASP 162 N 8.00 1.61 0.11 1.36 3.85 -1.26 -4.91 116.55 125.32 1i29 n ASP 162 Ca 0.01 0.00 -0.03 0.00 -0.71 0.00 0.00 54.79 54.05 1i29 n ASP 162 Cb 0.47 0.00 0.11 0.00 -1.35 0.00 0.00 41.12 40.35 1i29 n ASP 162 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1i29 h GLU 163 N 0.00 0.06 -0.74 0.11 3.07 -1.95 -3.23 114.58 111.91 1i29 h GLU 163 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1i29 h GLU 163 Cb 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1i29 h GLU 163 CO 0.00 0.73 0.00 1.63 -1.40 0.00 0.00 179.01 179.97 1i29 n LYS 164 N -3.74 3.03 -2.85 2.33 5.02 -1.26 -4.84 118.16 115.85 1i29 n LYS 164 Ca -0.01 -1.70 -0.43 0.00 -2.02 0.00 0.00 58.31 54.15 1i29 n LYS 164 Cb 0.68 -1.87 -0.04 0.00 -0.02 0.00 0.00 35.03 33.78 1i29 n LYS 164 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1i29 s THR 165 N -1.92 4.36 -0.02 -0.18 2.01 -1.22 -1.03 115.64 117.64 1i29 s THR 165 Ca 0.29 -0.04 -0.23 0.00 0.31 0.00 0.00 61.69 62.03 1i29 s THR 165 Cb 0.22 -4.61 -0.20 0.00 0.01 0.00 0.00 72.50 67.92 1i29 s THR 165 CO 0.10 -1.28 1.15 0.03 -0.69 0.00 0.00 174.62 173.93 1i29 h ARG 166 N 9.44 0.23 -3.63 4.92 2.47 -1.62 -3.36 114.38 122.82 1i29 h ARG 166 Ca -0.27 -0.19 -0.13 0.00 -1.26 0.00 0.00 59.98 58.12 1i29 h ARG 166 Cb 1.07 0.04 -0.19 0.00 -1.65 0.00 0.00 29.97 29.24 1i29 h ARG 166 CO 1.13 0.84 -0.49 -1.17 0.56 0.00 0.00 179.97 180.84 1i29 s LEU 167 N -8.74 1.63 -0.18 3.04 2.96 -1.25 -1.40 118.68 114.74 1i29 s LEU 167 Ca -0.15 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1i29 s LEU 167 Cb 0.02 0.68 0.03 0.00 0.50 0.00 0.00 46.19 47.42 1i29 s LEU 167 CO 0.75 -0.45 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.97 1i29 s LEU 168 N -1.76 2.17 -0.41 -0.68 1.98 0.89 -1.45 118.68 119.42 1i29 s LEU 168 Ca -0.10 -0.75 -0.06 0.00 -2.89 0.00 0.00 54.13 50.34 1i29 s LEU 168 Cb -0.04 -1.31 0.09 0.00 0.66 0.00 0.00 46.19 45.59 1i29 s LEU 168 CO -0.01 -0.08 0.21 0.00 -1.89 0.00 0.00 176.35 174.57 1i29 s ALA 169 N 1.37 3.18 0.25 5.97 0.00 -0.13 -0.88 121.76 131.51 1i29 s ALA 169 Ca 0.02 -2.32 0.11 0.00 0.00 0.00 0.00 51.96 49.77 1i29 s ALA 169 Cb -0.15 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.45 1i29 s ALA 169 CO -0.10 -1.70 -0.18 -1.50 0.00 0.00 0.00 175.76 172.28 1i29 s ILE 170 N 1.27 2.62 -0.11 0.00 1.10 -0.70 -3.99 121.20 121.39 1i29 s ILE 170 Ca 0.05 -2.18 -0.13 0.00 -0.51 0.00 0.00 60.65 57.88 1i29 s ILE 170 Cb -0.23 -2.34 -0.05 0.00 0.15 0.00 0.00 42.46 39.99 1i29 s ILE 170 CO -0.01 -0.29 0.29 0.28 -2.11 0.00 0.00 174.94 173.10 1i29 s THR 171 N -2.18 5.28 0.04 4.00 -1.32 -1.26 -1.07 115.64 119.12 1i29 s THR 171 Ca 0.27 0.56 -0.24 0.00 -1.21 0.00 0.00 61.69 61.07 1i29 s THR 171 Cb -0.06 -3.61 -0.17 0.00 -1.51 0.00 0.00 72.50 67.15 1i29 s THR 171 CO 0.14 0.48 1.52 -0.74 -2.21 0.00 0.00 174.62 173.80 1i29 h HIS 172 N 5.89 0.02 -3.50 9.09 2.76 -1.79 -3.40 115.15 124.21 1i29 h HIS 172 Ca -0.46 -0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.39 1i29 h HIS 172 Cb 1.19 -0.00 -0.34 0.00 1.55 0.00 0.00 27.41 29.80 1i29 h HIS 172 CO 0.66 0.24 -0.73 0.08 -1.30 0.00 0.00 177.93 176.88 1i29 s VAL 173 N -5.26 -0.01 0.56 5.26 1.01 -1.26 -1.90 120.40 118.81 1i29 s VAL 173 Ca -0.14 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.83 1i29 s VAL 173 Cb 0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.25 1i29 s VAL 173 CO 0.67 0.11 1.27 -0.55 0.00 0.00 0.00 175.10 176.59 1i29 s SER 174 N 1.12 5.28 0.00 3.32 0.15 0.61 -4.51 113.70 119.68 1i29 s SER 174 Ca -0.08 2.54 0.26 0.00 0.70 0.00 0.00 55.95 59.37 1i29 s SER 174 Cb -0.13 -2.62 0.68 0.00 -1.71 0.00 0.00 66.02 62.24 1i29 s SER 174 CO -0.03 -1.54 1.52 -0.46 1.20 0.00 0.00 173.24 173.93 1i29 n ASN 175 N -1.27 1.66 0.03 5.45 6.94 -1.26 -3.27 115.26 123.53 1i29 n ASN 175 Ca 0.12 -1.38 -0.01 0.00 -0.02 0.00 0.00 54.58 53.28 1i29 n ASN 175 Cb 0.48 0.11 -0.00 0.00 -2.36 0.00 0.00 39.78 38.00 1i29 n ASN 175 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1i29 n VAL 176 N 0.07 1.02 0.08 3.53 0.31 -1.26 -4.82 118.33 117.26 1i29 n VAL 176 Ca 0.15 0.29 -0.07 0.00 -0.01 0.00 0.00 64.34 64.70 1i29 n VAL 176 Cb 0.41 -1.63 0.05 0.00 -0.91 0.00 0.00 33.84 31.75 1i29 n VAL 176 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1i29 h LEU 177 N -0.09 0.30 0.00 7.52 3.38 -1.85 -3.32 115.31 121.25 1i29 h LEU 177 Ca -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1i29 h LEU 177 Cb 0.30 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1i29 h LEU 177 CO -0.01 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.07 1i29 n GLY 178 N 0.59 0.72 3.77 0.83 0.00 -1.20 -4.54 105.19 105.35 1i29 n GLY 178 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1i29 n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i29 s THR 179 N -2.39 2.74 -0.21 2.61 2.01 -1.26 -0.11 115.64 119.03 1i29 s THR 179 Ca 0.00 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.65 1i29 s THR 179 Cb 0.00 -3.38 0.02 0.00 0.01 0.00 0.00 72.50 69.16 1i29 s THR 179 CO 0.00 0.08 -0.15 -0.70 -0.69 0.00 0.00 174.62 173.16 1i29 s GLU 180 N -2.28 2.89 0.49 4.92 2.12 -1.26 -0.28 118.70 125.30 1i29 s GLU 180 Ca 0.57 -0.91 -0.17 0.00 0.36 0.00 0.00 54.97 54.83 1i29 s GLU 180 Cb -0.36 -2.73 -0.08 0.00 0.26 0.00 0.00 34.13 31.21 1i29 s GLU 180 CO 0.46 -0.29 0.96 -0.80 -0.54 0.00 0.00 175.26 175.05 1i29 s ASN 181 N 1.29 6.66 -1.09 -1.70 0.01 -0.80 -4.94 114.94 114.37 1i29 s ASN 181 Ca 0.02 1.55 -0.14 0.00 -0.71 0.00 0.00 52.86 53.59 1i29 s ASN 181 Cb -0.15 -2.50 -0.07 0.00 0.41 0.00 0.00 41.25 38.94 1i29 s ASN 181 CO -0.09 -0.54 2.20 -0.81 -1.51 0.00 0.00 177.10 176.34 1i29 n PRO 182 N -1.43 2.29 0.04 -0.60 -0.04 -1.26 -4.77 135.00 129.23 1i29 n PRO 182 Ca 0.06 -1.96 -0.16 0.00 -0.04 0.00 0.00 63.50 61.41 1i29 n PRO 182 Cb 0.54 -2.85 -0.10 0.00 -0.04 0.00 0.00 33.50 31.05 1i29 n PRO 182 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1i29 h LEU 183 N 10.40 -1.66 -0.33 1.53 4.07 -1.92 -2.39 115.31 125.02 1i29 h LEU 183 Ca 0.54 0.19 0.03 0.00 0.08 0.00 0.00 57.88 58.72 1i29 h LEU 183 Cb 0.46 0.64 -0.04 0.00 1.08 0.00 0.00 40.66 42.80 1i29 h LEU 183 CO 1.78 -0.51 -0.19 0.00 -1.08 0.00 0.00 178.44 178.43 1i29 n ALA 184 N -2.97 -0.21 -0.07 1.53 0.00 -1.26 0.07 120.51 117.60 1i29 n ALA 184 Ca -0.07 0.28 -0.07 0.00 0.00 0.00 0.00 53.44 53.58 1i29 n ALA 184 Cb 0.39 0.20 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 1i29 n ALA 184 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1i29 h GLU 185 N 0.00 -0.08 -0.33 0.00 4.39 -1.93 -1.83 114.58 114.79 1i29 h GLU 185 Ca 0.05 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.79 1i29 h GLU 185 Cb 0.13 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 1i29 h GLU 185 CO -0.31 -0.06 0.14 0.52 -1.16 0.00 0.00 179.01 178.14 1i29 h MET 186 N -0.09 0.28 -0.34 2.33 2.86 -0.64 -2.26 114.93 117.08 1i29 h MET 186 Ca 0.15 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.83 1i29 h MET 186 Cb 0.31 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 1i29 h MET 186 CO -0.34 0.19 0.00 0.82 1.06 0.00 0.00 176.91 178.65 1i29 h ILE 187 N 0.29 0.76 -0.09 -1.22 2.04 0.14 -0.30 117.51 119.13 1i29 h ILE 187 Ca 0.15 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 66.00 1i29 h ILE 187 Cb 0.10 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 1i29 h ILE 187 CO -0.13 0.02 -0.51 0.74 0.00 0.00 0.00 178.15 178.26 1i29 h THR 188 N 0.10 0.00 -0.94 -0.27 2.02 -0.85 -0.13 112.91 112.83 1i29 h THR 188 Ca 0.16 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.49 1i29 h THR 188 Cb 0.22 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.55 1i29 h THR 188 CO -0.27 0.00 0.60 0.25 0.37 0.00 0.00 175.52 176.47 1i29 h LEU 189 N -0.58 0.75 -0.92 2.58 5.85 -1.03 -0.78 115.31 121.19 1i29 h LEU 189 Ca 0.02 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 1i29 h LEU 189 Cb 0.65 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1i29 h LEU 189 CO -0.39 0.37 -0.49 0.00 -0.34 0.00 0.00 178.44 177.59 1i29 h ALA 190 N 1.59 1.09 -0.03 1.25 0.00 -0.11 -3.03 119.26 120.01 1i29 h ALA 190 Ca 0.48 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1i29 h ALA 190 Cb 0.69 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1i29 h ALA 190 CO -0.25 0.63 -0.82 0.45 0.00 0.00 0.00 179.25 179.27 1i29 h HIS 191 N 0.09 0.47 0.00 0.00 3.86 0.36 -1.23 115.15 118.71 1i29 h HIS 191 Ca 0.00 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1i29 h HIS 191 Cb 0.90 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.31 1i29 h HIS 191 CO 0.01 1.01 0.00 1.04 0.86 0.00 0.00 177.93 180.85 1i29 n GLN 192 N -3.77 0.06 -0.14 2.45 6.02 -0.69 -0.23 117.38 121.08 1i29 n GLN 192 Ca -0.05 0.46 0.07 0.00 -0.01 0.00 0.00 57.00 57.47 1i29 n GLN 192 Cb 0.76 -1.66 0.14 0.00 1.02 0.00 0.00 30.24 30.50 1i29 n GLN 192 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1i29 n HIS 193 N -1.78 0.37 -1.54 1.08 8.25 -1.15 -4.96 115.22 115.49 1i29 n HIS 193 Ca 0.01 -0.34 -0.09 0.00 -0.26 0.00 0.00 57.72 57.03 1i29 n HIS 193 Cb 0.08 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 1i29 n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i29 n GLY 194 N 0.71 0.73 3.91 -1.41 0.00 0.68 -4.85 105.19 104.96 1i29 n GLY 194 Ca 0.12 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 1i29 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i29 s ALA 195 N -2.37 3.94 0.28 4.61 0.00 -0.47 -4.91 121.76 122.84 1i29 s ALA 195 Ca 0.00 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 1i29 s ALA 195 Cb 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 1i29 s ALA 195 CO 0.00 0.77 0.48 0.15 0.00 0.00 0.00 175.76 177.17 1i29 s LYS 196 N -2.57 3.52 -0.07 0.00 3.01 -0.49 -3.95 119.74 119.19 1i29 s LYS 196 Ca 0.37 -0.31 0.03 0.00 -1.01 0.00 0.00 55.97 55.06 1i29 s LYS 196 Cb -0.13 -2.73 0.00 0.00 -1.01 0.00 0.00 37.83 33.96 1i29 s LYS 196 CO 0.27 0.26 -0.17 0.08 0.51 0.00 0.00 175.35 176.30 1i29 s VAL 197 N -2.10 1.49 -0.25 3.17 1.01 -1.26 -0.08 120.40 122.38 1i29 s VAL 197 Ca 0.40 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1i29 s VAL 197 Cb -0.10 -1.30 0.04 0.00 0.00 0.00 0.00 36.38 35.02 1i29 s VAL 197 CO 0.32 0.43 -0.09 -0.22 0.00 0.00 0.00 175.10 175.54 1i29 s LEU 198 N 0.36 3.21 -0.12 3.92 0.20 -0.06 -1.72 118.68 124.47 1i29 s LEU 198 Ca -0.12 -1.09 -0.13 0.00 0.69 0.00 0.00 54.13 53.48 1i29 s LEU 198 Cb -0.15 -1.60 -0.05 0.00 -0.43 0.00 0.00 46.19 43.97 1i29 s LEU 198 CO 0.05 -0.15 0.29 -0.69 -0.29 0.00 0.00 176.35 175.56 1i29 s VAL 199 N 1.23 5.28 -0.82 1.68 1.01 0.20 -1.72 120.40 127.25 1i29 s VAL 199 Ca -0.03 0.55 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 1i29 s VAL 199 Cb -0.18 -3.61 0.22 0.00 0.00 0.00 0.00 36.38 32.81 1i29 s VAL 199 CO -0.06 0.47 0.76 -0.62 0.00 0.00 0.00 175.10 175.65 1i29 s ASP 200 N -0.11 6.69 -0.74 3.32 3.68 -0.23 -2.25 116.67 127.04 1i29 s ASP 200 Ca 0.18 -2.72 -0.02 0.00 2.13 0.00 0.00 52.55 52.12 1i29 s ASP 200 Cb -0.14 -2.19 0.41 0.00 -1.45 0.00 0.00 42.92 39.55 1i29 s ASP 200 CO 0.06 -0.56 2.00 0.61 0.13 0.00 0.00 175.17 177.41 1i29 n GLY 201 N 3.92 5.74 0.21 2.66 0.00 -0.39 -2.21 105.19 115.12 1i29 n GLY 201 Ca 0.14 -2.40 0.08 0.00 0.00 0.00 0.00 46.02 43.84 1i29 n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i29 h ALA 202 N 2.44 1.07 0.00 4.61 0.00 -1.90 -2.95 119.26 122.54 1i29 h ALA 202 Ca 0.58 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1i29 h ALA 202 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1i29 h ALA 202 CO 1.50 0.34 -1.49 0.94 0.00 0.00 0.00 179.25 180.54 1i29 n GLN 203 N -3.52 0.49 -0.09 0.00 -0.06 -1.26 -4.62 117.38 108.32 1i29 n GLN 203 Ca -0.00 -0.10 -0.18 0.00 -2.00 0.00 0.00 57.00 54.72 1i29 n GLN 203 Cb 0.43 -1.48 -0.11 0.00 -4.06 0.00 0.00 30.24 25.02 1i29 n GLN 203 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1i29 h ALA 204 N 2.35 0.16 -1.44 1.69 0.00 -1.80 -3.40 119.26 116.82 1i29 h ALA 204 Ca 0.00 -0.91 0.44 0.00 0.00 0.00 0.00 54.91 54.45 1i29 h ALA 204 Cb 0.73 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1i29 h ALA 204 CO 0.00 0.45 1.00 1.33 0.00 0.00 0.00 179.25 182.02 1i29 n VAL 205 N -4.51 -0.09 -0.37 0.00 0.24 -1.12 -0.91 118.33 111.57 1i29 n VAL 205 Ca -0.23 1.35 0.09 0.00 -2.04 0.00 0.00 64.34 63.52 1i29 n VAL 205 Cb 0.57 -2.23 0.27 0.00 -1.47 0.00 0.00 33.84 30.98 1i29 n VAL 205 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 1i29 n MET 206 N -3.92 2.93 -0.00 7.34 0.00 -1.26 -4.41 117.12 117.81 1i29 n MET 206 Ca 0.36 -2.50 0.05 0.00 0.00 0.00 0.00 57.70 55.60 1i29 n MET 206 Cb 1.52 -1.52 -0.06 0.00 0.00 0.00 0.00 33.22 33.16 1i29 n MET 206 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1i29 n HIS 207 N 1.11 0.00 0.00 3.17 -0.00 -0.09 -4.94 115.22 114.46 1i29 n HIS 207 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.92 1i29 n HIS 207 Cb 0.61 -0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 1i29 n HIS 207 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1i29 n HIS 208 N -1.57 0.00 -1.48 4.41 1.44 -1.24 -4.12 115.22 112.66 1i29 n HIS 208 Ca -0.00 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.30 1i29 n HIS 208 Cb 0.20 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.33 1i29 n HIS 208 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 1i29 n PRO 209 N -0.05 0.65 -4.12 -1.40 -0.02 -1.26 -4.64 135.00 124.16 1i29 n PRO 209 Ca 0.00 0.24 -0.21 0.00 -2.02 0.00 0.00 63.50 61.51 1i29 n PRO 209 Cb 0.00 -1.63 -0.17 0.00 -0.02 0.00 0.00 33.50 31.69 1i29 n PRO 209 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1i29 s VAL 210 N -1.52 0.56 -0.40 -1.45 1.01 -1.26 -5.03 120.40 112.31 1i29 s VAL 210 Ca 0.65 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.55 1i29 s VAL 210 Cb -0.55 -0.60 0.11 0.00 0.00 0.00 0.00 36.38 35.34 1i29 s VAL 210 CO 0.57 0.24 0.13 -0.62 0.00 0.00 0.00 175.10 175.42 1i29 s ASP 211 N 1.07 4.55 0.66 3.32 3.68 -1.26 -4.19 116.67 124.51 1i29 s ASP 211 Ca -0.09 -2.45 0.43 0.00 2.13 0.00 0.00 52.55 52.57 1i29 s ASP 211 Cb -0.14 -1.59 2.34 0.00 -1.45 0.00 0.00 42.92 42.07 1i29 s ASP 211 CO -0.01 -0.33 2.35 -0.37 0.13 0.00 0.00 175.17 176.95 1i29 h VAL 212 N 6.18 0.06 0.02 1.11 -1.51 -1.38 -1.01 116.25 119.71 1i29 h VAL 212 Ca -0.06 -0.03 -0.03 0.00 -1.23 0.00 0.00 66.70 65.36 1i29 h VAL 212 Cb 0.97 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1i29 h VAL 212 CO 0.58 0.00 -0.14 1.56 -1.23 0.00 0.00 177.57 178.34 1i29 h GLN 213 N 0.00 0.06 -0.84 5.19 4.20 -1.79 -1.89 115.11 120.04 1i29 h GLN 213 Ca -0.00 -0.09 0.09 0.00 0.06 0.00 0.00 58.65 58.71 1i29 h GLN 213 Cb 0.02 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.76 1i29 h GLN 213 CO 0.00 0.97 0.49 0.00 -0.67 0.00 0.00 178.83 179.61 1i29 h ALA 214 N 0.10 1.19 -0.12 3.87 0.00 -1.66 -2.14 119.26 120.51 1i29 h ALA 214 Ca -0.02 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1i29 h ALA 214 Cb 1.03 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1i29 h ALA 214 CO 0.03 0.12 -0.70 -0.07 0.00 0.00 0.00 179.25 178.63 1i29 h LEU 215 N 0.82 0.60 -0.19 0.00 4.07 -1.30 -3.48 115.31 115.82 1i29 h LEU 215 Ca 0.40 -0.38 -0.26 0.00 0.08 0.00 0.00 57.88 57.73 1i29 h LEU 215 Cb 0.36 -0.18 0.06 0.00 1.08 0.00 0.00 40.66 41.98 1i29 h LEU 215 CO -0.24 1.12 -0.41 -0.67 -1.08 0.00 0.00 178.44 177.16 1i29 n ASP 216 N -3.89 -4.62 -4.84 -0.43 2.03 -0.71 -4.78 116.55 99.31 1i29 n ASP 216 Ca -0.05 -0.26 -0.32 0.00 0.52 0.00 0.00 54.79 54.68 1i29 n ASP 216 Cb 0.69 -3.35 -0.05 0.00 -0.72 0.00 0.00 41.12 37.69 1i29 n ASP 216 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1i29 h ASP 218 N 1.52 0.00 -3.74 0.00 3.32 -1.71 -3.45 116.42 112.36 1i29 h ASP 218 Ca -0.48 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.36 1i29 h ASP 218 Cb 1.18 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.46 1i29 h ASP 218 CO 0.62 0.28 -0.61 -0.36 -1.72 0.00 0.00 179.24 177.45 1i29 s PHE 219 N -3.15 -0.10 -0.09 4.55 0.40 -0.72 -2.61 117.98 116.26 1i29 s PHE 219 Ca -0.01 0.26 -0.06 0.00 -0.60 0.00 0.00 56.93 56.52 1i29 s PHE 219 Cb 0.09 0.02 0.03 0.00 0.51 0.00 0.00 43.02 43.67 1i29 s PHE 219 CO 0.80 -0.06 0.21 -0.47 0.70 0.00 0.00 175.22 176.40 1i29 s TYR 220 N 0.14 -0.25 0.02 0.36 5.04 -0.55 -0.63 117.35 121.47 1i29 s TYR 220 Ca -0.01 0.62 0.01 0.00 -2.44 0.00 0.00 57.07 55.25 1i29 s TYR 220 Cb -0.02 0.04 -0.01 0.00 0.35 0.00 0.00 41.96 42.32 1i29 s TYR 220 CO -0.00 -0.16 -0.03 0.14 -1.34 0.00 0.00 175.55 174.15 1i29 s VAL 221 N 0.69 0.19 0.09 3.14 -7.23 -0.95 -0.13 120.40 116.19 1i29 s VAL 221 Ca -0.05 -0.65 -0.18 0.00 -1.81 0.00 0.00 61.98 59.29 1i29 s VAL 221 Cb -0.06 -0.27 0.04 0.00 0.56 0.00 0.00 36.38 36.65 1i29 s VAL 221 CO -0.04 -0.30 0.43 0.72 -0.31 0.00 0.00 175.10 175.61 1i29 s PHE 222 N -0.96 -0.27 -0.08 2.82 -0.12 -1.08 -1.27 117.98 117.02 1i29 s PHE 222 Ca -0.09 0.10 -0.00 0.00 -0.05 0.00 0.00 56.93 56.89 1i29 s PHE 222 Cb -0.07 0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 42.57 1i29 s PHE 222 CO -0.00 -0.66 -0.05 -1.12 -0.05 0.00 0.00 175.22 173.34 1i29 s SER 223 N -2.42 4.83 0.24 1.98 0.01 -1.26 -1.82 113.70 115.25 1i29 s SER 223 Ca -0.01 0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.29 1i29 s SER 223 Cb 0.00 -1.27 0.27 0.00 0.21 0.00 0.00 66.02 65.23 1i29 s SER 223 CO -0.07 0.36 1.60 1.23 0.41 0.00 0.00 173.24 176.77 1i29 h GLY 224 N 5.26 0.46 2.00 3.44 0.00 -1.47 -3.15 103.07 109.60 1i29 h GLY 224 Ca -0.49 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.36 1i29 h GLY 224 CO 0.53 0.43 0.00 1.12 0.00 0.00 0.00 176.54 178.62 1i29 h HIS 225 N 0.34 0.00 -0.00 5.60 2.07 -1.62 -0.02 115.15 121.51 1i29 h HIS 225 Ca 0.02 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 1i29 h HIS 225 Cb 0.94 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.92 1i29 h HIS 225 CO 0.03 0.00 -0.63 1.63 -3.07 0.00 0.00 177.93 175.89 1i29 n LYS 226 N -3.03 0.42 -1.68 5.12 5.02 -1.19 -2.31 118.16 120.51 1i29 n LYS 226 Ca -0.02 -0.31 -0.35 0.00 -2.02 0.00 0.00 58.31 55.61 1i29 n LYS 226 Cb 0.12 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.69 1i29 n LYS 226 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1i29 n LEU 227 N -1.02 7.14 -1.73 -0.35 7.94 -0.10 -4.39 117.00 124.49 1i29 n LEU 227 Ca 0.07 -4.58 -0.18 0.00 -1.11 0.00 0.00 56.01 50.21 1i29 n LEU 227 Cb 0.37 -0.90 -0.06 0.00 0.53 0.00 0.00 43.42 43.36 1i29 n LEU 227 CO 0.35 1.69 -0.18 -1.22 -1.11 0.00 0.00 177.39 176.92 1i29 n TYR 228 N -0.74 -0.41 -4.08 1.96 4.01 -1.25 -4.80 117.16 111.86 1i29 n TYR 228 Ca 0.56 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 58.16 1i29 n TYR 228 Cb 0.56 -3.19 -0.02 0.00 -0.31 0.00 0.00 39.34 36.38 1i29 n TYR 228 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1i29 n GLY 229 N -0.47 3.46 3.76 2.72 0.00 -0.72 -4.39 105.19 109.55 1i29 n GLY 229 Ca -0.18 -2.27 -0.30 0.00 0.00 0.00 0.00 46.02 43.27 1i29 n GLY 229 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i29 s PRO 230 N -2.98 2.01 0.55 1.61 0.04 -1.26 -4.04 135.00 130.93 1i29 s PRO 230 Ca 0.06 0.98 -0.07 0.00 0.04 0.00 0.00 61.00 62.01 1i29 s PRO 230 Cb -0.01 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 1i29 s PRO 230 CO 0.04 -1.76 0.90 0.95 0.04 0.00 0.00 177.00 177.16 1i29 s THR 231 N -2.96 4.61 -0.36 1.26 -4.23 -1.26 -2.48 115.64 110.23 1i29 s THR 231 Ca 0.61 0.41 0.00 0.00 -1.18 0.00 0.00 61.69 61.53 1i29 s THR 231 Cb -0.17 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.88 1i29 s THR 231 CO 0.56 -0.89 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1i29 n GLY 232 N -2.50 0.64 3.03 3.99 0.00 -1.26 -4.86 105.19 104.24 1i29 n GLY 232 Ca 0.03 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 1i29 n GLY 232 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1i29 s ILE 233 N -2.09 -0.11 0.30 -0.61 1.10 -0.18 -4.50 121.20 115.10 1i29 s ILE 233 Ca 0.00 0.18 0.05 0.00 -0.51 0.00 0.00 60.65 60.37 1i29 s ILE 233 Cb 0.00 -0.38 -0.03 0.00 0.15 0.00 0.00 42.46 42.20 1i29 s ILE 233 CO 0.00 0.07 0.24 -0.83 -2.11 0.00 0.00 174.94 172.31 1i29 s GLY 234 N 1.48 2.10 -0.09 1.50 0.00 0.34 -1.35 107.32 111.30 1i29 s GLY 234 Ca -0.07 -1.97 0.01 0.00 0.00 0.00 0.00 44.72 42.68 1i29 s GLY 234 CO -0.08 -1.46 -0.09 -0.42 0.00 0.00 0.00 173.10 171.05 1i29 s ILE 235 N -3.64 1.01 -0.24 0.90 -1.09 -0.76 -2.07 121.20 115.32 1i29 s ILE 235 Ca 0.40 -0.34 -0.04 0.00 -2.23 0.00 0.00 60.65 58.44 1i29 s ILE 235 Cb 0.04 -0.99 -0.00 0.00 -1.58 0.00 0.00 42.46 39.92 1i29 s ILE 235 CO 0.23 0.35 -0.01 -0.22 -1.23 0.00 0.00 174.94 174.06 1i29 s LEU 236 N 1.24 3.14 -0.17 2.97 2.96 -0.07 -2.65 118.68 126.11 1i29 s LEU 236 Ca -0.04 -0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 53.32 1i29 s LEU 236 Cb -0.14 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1i29 s LEU 236 CO -0.03 -0.06 0.07 -0.47 -1.32 0.00 0.00 176.35 174.54 1i29 s TYR 237 N 1.48 3.30 -0.01 5.38 5.04 0.81 -0.22 117.35 133.12 1i29 s TYR 237 Ca 0.05 0.16 0.01 0.00 -2.44 0.00 0.00 57.07 54.85 1i29 s TYR 237 Cb -0.15 -2.05 0.00 0.00 0.35 0.00 0.00 41.96 40.11 1i29 s TYR 237 CO -0.02 0.26 -0.04 0.08 -1.34 0.00 0.00 175.55 174.49 1i29 s VAL 238 N 0.11 0.40 0.12 3.14 1.01 -0.13 -1.49 120.40 123.57 1i29 s VAL 238 Ca 0.06 -0.16 -0.32 0.00 0.00 0.00 0.00 61.98 61.55 1i29 s VAL 238 Cb -0.12 -0.37 -0.11 0.00 0.00 0.00 0.00 36.38 35.77 1i29 s VAL 238 CO 0.00 0.14 1.80 0.29 0.00 0.00 0.00 175.10 177.33 1i29 n LYS 239 N 3.30 2.66 -0.33 2.72 5.02 -1.07 -4.66 118.16 125.79 1i29 n LYS 239 Ca -0.17 0.97 0.16 0.00 -2.02 0.00 0.00 58.31 57.25 1i29 n LYS 239 Cb 0.56 -2.84 0.32 0.00 -0.02 0.00 0.00 35.03 33.06 1i29 n LYS 239 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1i29 h GLU 240 N 8.05 0.03 -0.87 1.97 4.81 -1.91 0.52 114.58 127.18 1i29 h GLU 240 Ca -0.46 -0.00 0.12 0.00 -0.13 0.00 0.00 59.36 58.88 1i29 h GLU 240 Cb 1.23 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.52 1i29 h GLU 240 CO 0.94 0.02 0.49 0.00 -0.73 0.00 0.00 179.01 179.73 1i29 h ALA 241 N 1.96 1.27 0.07 2.92 0.00 -2.01 -2.47 119.26 121.01 1i29 h ALA 241 Ca 0.62 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.45 1i29 h ALA 241 Cb 1.33 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1i29 h ALA 241 CO -0.87 0.06 -0.54 -0.07 0.00 0.00 0.00 179.25 177.84 1i29 h LEU 242 N 0.78 0.35 -0.59 0.00 3.38 -0.40 -3.36 115.31 115.45 1i29 h LEU 242 Ca 0.44 -0.91 0.10 0.00 0.09 0.00 0.00 57.88 57.59 1i29 h LEU 242 Cb 0.48 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 1i29 h LEU 242 CO -0.28 1.23 0.19 0.25 0.09 0.00 0.00 178.44 179.91 1i29 h LEU 243 N -0.48 0.15 -1.72 1.67 6.46 -0.91 -1.67 115.31 118.81 1i29 h LEU 243 Ca -0.09 0.09 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 1i29 h LEU 243 Cb 1.37 0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 41.36 1i29 h LEU 243 CO 0.10 0.09 0.31 1.56 -0.62 0.00 0.00 178.44 179.89 1i29 h GLN 244 N 0.35 0.34 0.00 1.25 1.08 -1.60 -2.08 115.11 114.44 1i29 h GLN 244 Ca 0.30 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.44 1i29 h GLN 244 Cb 0.40 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1i29 h GLN 244 CO -0.33 0.22 -0.43 0.93 -0.95 0.00 0.00 178.83 178.27 1i29 h GLU 245 N 0.35 0.00 -6.75 1.46 4.39 -1.46 -3.47 114.58 109.09 1i29 h GLU 245 Ca 0.20 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.38 1i29 h GLU 245 Cb 0.36 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1i29 h GLU 245 CO -0.05 0.16 0.61 -1.64 -1.16 0.00 0.00 179.01 176.93 1i29 s MET 246 N -3.15 4.43 0.38 2.33 -1.94 -0.79 -5.03 119.30 115.53 1i29 s MET 246 Ca 0.04 2.04 -0.15 0.00 -1.71 0.00 0.00 55.69 55.91 1i29 s MET 246 Cb 0.07 -3.17 -0.09 0.00 2.01 0.00 0.00 34.83 33.66 1i29 s MET 246 CO 0.72 -0.15 0.81 -1.25 -0.01 0.00 0.00 175.02 175.14 1i29 s PRO 247 N -0.76 3.98 0.71 2.03 0.04 -1.26 -5.03 135.00 134.71 1i29 s PRO 247 Ca 0.52 0.73 -0.16 0.00 0.04 0.00 0.00 61.00 62.13 1i29 s PRO 247 Cb -0.36 -2.35 0.02 0.00 0.04 0.00 0.00 34.50 31.85 1i29 s PRO 247 CO 0.42 0.03 1.23 -0.35 0.04 0.00 0.00 177.00 178.38 1i29 n PRO 248 N -0.76 0.74 -0.01 0.56 -0.04 -1.26 -4.69 135.00 129.54 1i29 n PRO 248 Ca 0.04 0.32 -0.02 0.00 -0.04 0.00 0.00 63.50 63.80 1i29 n PRO 248 Cb 0.54 -2.47 -0.01 0.00 -0.04 0.00 0.00 33.50 31.52 1i29 n PRO 248 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1i29 n TRP 249 N -2.44 0.00 -3.18 0.54 -0.00 -1.26 -4.87 117.44 106.23 1i29 n TRP 249 Ca 0.15 0.00 -0.36 0.00 -0.00 0.00 0.00 57.50 57.29 1i29 n TRP 249 Cb 0.49 -0.09 -0.06 0.00 -0.00 0.00 0.00 31.31 31.65 1i29 n TRP 249 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 1i29 s GLU 250 N -1.37 4.15 0.07 5.87 2.02 -1.26 -5.08 118.70 123.10 1i29 s GLU 250 Ca -0.05 0.74 0.09 0.00 0.02 0.00 0.00 54.97 55.77 1i29 s GLU 250 Cb 0.01 -2.85 -0.03 0.00 0.10 0.00 0.00 34.13 31.35 1i29 s GLU 250 CO 0.08 0.40 -0.25 0.20 0.02 0.00 0.00 175.26 175.70 1i29 s GLY 251 N -1.73 1.37 0.00 -1.39 0.00 -1.26 -4.78 107.32 99.53 1i29 s GLY 251 Ca 0.42 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1i29 s GLY 251 CO 0.20 -1.19 0.00 0.61 0.00 0.00 0.00 173.10 172.72 1i29 n GLY 252 N 1.56 -0.54 3.81 0.20 0.00 -1.26 -4.95 105.19 104.02 1i29 n GLY 252 Ca -0.17 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 1i29 n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i29 s GLY 253 N 0.00 1.59 0.00 -0.02 0.00 -1.26 -3.96 107.32 103.66 1i29 s GLY 253 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1i29 s GLY 253 CO 0.00 0.03 0.00 -1.26 0.00 0.00 0.00 173.10 171.87 1i29 n SER 254 N -3.61 0.00 -1.15 1.64 2.88 -1.26 -1.87 113.62 110.25 1i29 n SER 254 Ca 0.07 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.72 1i29 n SER 254 Cb 0.59 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.31 1i29 n SER 254 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1i29 n MET 255 N 0.00 2.48 -4.17 -1.46 3.85 -1.25 -4.81 117.12 111.76 1i29 n MET 255 Ca 0.00 -2.27 -0.24 0.00 -1.00 0.00 0.00 57.70 54.19 1i29 n MET 255 Cb 0.00 -1.51 -0.06 0.00 -1.05 0.00 0.00 33.22 30.60 1i29 n MET 255 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1i29 s ILE 256 N -1.35 4.05 -0.25 3.17 -5.25 -1.26 -2.32 121.20 118.00 1i29 s ILE 256 Ca 0.41 -1.43 -0.09 0.00 -0.99 0.00 0.00 60.65 58.55 1i29 s ILE 256 Cb 0.23 -3.11 -0.16 0.00 2.95 0.00 0.00 42.46 42.36 1i29 s ILE 256 CO 0.31 -0.23 -0.16 0.00 -1.79 0.00 0.00 174.94 173.08 1i29 n ALA 257 N -0.62 1.18 -3.49 2.27 0.00 0.16 -4.42 120.51 115.59 1i29 n ALA 257 Ca -0.08 -0.96 -0.15 0.00 0.00 0.00 0.00 53.44 52.25 1i29 n ALA 257 Cb 0.57 -0.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 1i29 n ALA 257 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1i29 s THR 258 N -2.50 0.00 -0.16 0.00 -4.23 -1.11 -5.00 115.64 102.64 1i29 s THR 258 Ca -0.34 -0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.14 1i29 s THR 258 Cb 0.11 -0.87 0.02 0.00 1.34 0.00 0.00 72.50 73.10 1i29 s THR 258 CO 0.57 -0.02 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.73 1i29 s VAL 259 N -0.15 2.04 -0.05 2.29 1.01 -1.26 -0.99 120.40 123.29 1i29 s VAL 259 Ca -0.04 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1i29 s VAL 259 Cb -0.03 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1i29 s VAL 259 CO 0.03 0.54 -0.05 -0.55 0.00 0.00 0.00 175.10 175.07 1i29 s SER 260 N 1.12 1.14 0.56 3.32 0.15 0.04 -4.99 113.70 115.04 1i29 s SER 260 Ca 0.01 -0.15 0.35 0.00 0.70 0.00 0.00 55.95 56.86 1i29 s SER 260 Cb -0.14 -0.50 1.52 0.00 -1.71 0.00 0.00 66.02 65.20 1i29 s SER 260 CO -0.09 -0.06 2.04 -0.07 1.20 0.00 0.00 173.24 176.26 1i29 h LEU 261 N 7.33 0.00 0.00 3.45 4.07 -2.00 0.63 115.31 128.79 1i29 h LEU 261 Ca -0.35 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.43 1i29 h LEU 261 Cb 1.15 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.86 1i29 h LEU 261 CO 0.45 0.02 -1.67 -1.54 -1.08 0.00 0.00 178.44 174.61 1i29 n SER 262 N -3.12 2.74 0.04 -0.43 3.41 -1.26 -4.60 113.62 110.39 1i29 n SER 262 Ca -0.00 -0.02 0.12 0.00 -0.26 0.00 0.00 58.87 58.71 1i29 n SER 262 Cb 0.27 0.49 0.21 0.00 -0.26 0.00 0.00 64.21 64.92 1i29 n SER 262 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i29 n GLU 263 N -2.49 0.18 0.00 4.33 -0.58 -1.22 -5.07 120.64 115.79 1i29 n GLU 263 Ca -0.17 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 1i29 n GLU 263 Cb 0.79 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 1i29 n GLU 263 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i29 n GLY 264 N 1.40 -2.36 3.23 0.62 0.00 0.21 -4.91 105.19 103.38 1i29 n GLY 264 Ca 0.04 -1.85 -0.27 0.00 0.00 0.00 0.00 46.02 43.94 1i29 n GLY 264 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i29 s THR 265 N -0.29 1.64 0.01 2.61 2.01 -1.26 -0.78 115.64 119.57 1i29 s THR 265 Ca 0.00 -0.94 0.06 0.00 0.31 0.00 0.00 61.69 61.12 1i29 s THR 265 Cb 0.00 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 1i29 s THR 265 CO 0.00 0.42 -0.16 0.42 -0.69 0.00 0.00 174.62 174.60 1i29 s THR 266 N -0.54 2.90 0.57 -0.82 -4.23 -0.16 -5.00 115.64 108.36 1i29 s THR 266 Ca 0.08 -1.01 -0.05 0.00 -1.18 0.00 0.00 61.69 59.52 1i29 s THR 266 Cb -0.08 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.57 1i29 s THR 266 CO -0.00 0.43 0.87 0.26 -0.54 0.00 0.00 174.62 175.64 1i29 s TRP 267 N -0.86 3.27 0.00 3.99 0.23 -1.26 0.36 118.94 124.66 1i29 s TRP 267 Ca 0.14 0.62 0.00 0.00 -2.03 0.00 0.00 56.10 54.82 1i29 s TRP 267 Cb -0.11 -2.67 0.00 0.00 0.03 0.00 0.00 33.47 30.72 1i29 s TRP 267 CO 0.04 -0.75 0.00 -2.37 0.96 0.00 0.00 176.95 174.83 1i29 n THR 268 N -2.52 0.00 -4.07 2.01 5.66 -0.98 -4.06 114.28 110.32 1i29 n THR 268 Ca 0.04 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.80 1i29 n THR 268 Cb 0.57 -1.42 -0.04 0.00 -1.55 0.00 0.00 70.33 67.88 1i29 n THR 268 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1i29 s LYS 269 N -2.18 3.02 0.62 1.09 -2.85 -1.26 -4.63 119.74 113.54 1i29 s LYS 269 Ca 0.00 -0.89 -0.18 0.00 -1.00 0.00 0.00 55.97 53.89 1i29 s LYS 269 Cb 0.00 -2.68 -0.03 0.00 -2.06 0.00 0.00 37.83 33.06 1i29 s LYS 269 CO 0.00 0.45 1.11 0.00 0.10 0.00 0.00 175.35 177.02 1i29 n ALA 270 N -0.76 0.63 0.14 0.59 0.00 -1.26 -2.51 120.51 117.34 1i29 n ALA 270 Ca -0.08 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.46 1i29 n ALA 270 Cb 0.56 -2.21 0.05 0.00 0.00 0.00 0.00 19.45 17.85 1i29 n ALA 270 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1i29 h PRO 271 N 0.54 0.00 -0.17 0.00 0.13 -1.87 -3.45 132.00 127.18 1i29 h PRO 271 Ca -0.50 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.68 1i29 h PRO 271 Cb 1.35 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1i29 h PRO 271 CO 0.52 0.11 0.60 -1.49 -0.23 0.00 0.00 178.00 177.51 1i29 h TRP 272 N 0.00 0.00 0.00 1.56 6.55 -1.89 0.43 115.95 122.60 1i29 h TRP 272 Ca -0.02 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 59.77 1i29 h TRP 272 Cb 1.13 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.42 1i29 h TRP 272 CO 0.00 0.00 -0.25 -0.09 -1.05 0.00 0.00 178.44 177.05 1i29 h ARG 273 N 0.00 0.00 -0.60 0.49 2.43 -1.75 -2.43 114.38 112.52 1i29 h ARG 273 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1i29 h ARG 273 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1i29 h ARG 273 CO -0.00 0.25 0.00 1.19 -1.51 0.00 0.00 179.97 179.90 1i29 n PHE 274 N -4.19 1.89 -3.65 2.20 3.72 0.15 -4.66 117.46 112.92 1i29 n PHE 274 Ca -0.02 -0.69 -0.28 0.00 -0.05 0.00 0.00 57.45 56.41 1i29 n PHE 274 Cb 0.31 -0.43 -0.11 0.00 -0.94 0.00 0.00 39.48 38.31 1i29 n PHE 274 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1i29 n GLU 275 N 0.80 1.05 -3.06 -1.08 1.02 -0.91 -4.87 120.64 113.57 1i29 n GLU 275 Ca 0.27 -3.86 -0.39 0.00 -0.02 0.00 0.00 57.16 53.16 1i29 n GLU 275 Cb 1.10 -1.99 -0.05 0.00 -0.02 0.00 0.00 31.44 30.48 1i29 n GLU 275 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i29 s ALA 276 N -0.74 3.42 0.00 0.62 0.00 -1.26 -4.31 121.76 119.49 1i29 s ALA 276 Ca 0.29 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1i29 s ALA 276 Cb -0.00 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1i29 s ALA 276 CO -0.18 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1i29 n GLY 277 N 2.27 -1.27 3.71 0.00 0.00 -0.78 -4.85 105.19 104.26 1i29 n GLY 277 Ca -0.05 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 1i29 n GLY 277 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i29 s THR 278 N -1.14 2.56 1.26 2.61 2.01 -1.26 -4.93 115.64 116.75 1i29 s THR 278 Ca 0.00 0.28 -0.21 0.00 0.31 0.00 0.00 61.69 62.07 1i29 s THR 278 Cb 0.00 -3.18 0.32 0.00 0.01 0.00 0.00 72.50 69.65 1i29 s THR 278 CO 0.00 0.01 0.94 -2.65 -0.69 0.00 0.00 174.62 172.23 1i29 n PRO 279 N 4.70 -3.77 -2.28 4.92 -0.02 -1.26 -4.92 135.00 132.36 1i29 n PRO 279 Ca 0.16 -1.53 -0.38 0.00 -2.02 0.00 0.00 63.50 59.73 1i29 n PRO 279 Cb 0.38 -1.65 0.02 0.00 -0.02 0.00 0.00 33.50 32.23 1i29 n PRO 279 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1i29 n ASN 280 N -5.16 6.92 -0.24 2.55 5.15 -1.26 -4.85 115.26 118.37 1i29 n ASN 280 Ca 0.14 -3.77 -0.00 0.00 -0.60 0.00 0.00 54.58 50.35 1i29 n ASN 280 Cb 0.56 -0.99 0.03 0.00 -0.53 0.00 0.00 39.78 38.85 1i29 n ASN 280 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1i29 n THR 281 N -0.36 -0.32 -0.08 -0.44 -1.04 -1.26 0.79 114.28 111.57 1i29 n THR 281 Ca 0.48 1.45 0.01 0.00 -2.04 0.00 0.00 64.05 63.95 1i29 n THR 281 Cb 0.30 -1.92 0.30 0.00 -1.82 0.00 0.00 70.33 67.20 1i29 n THR 281 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1i29 h GLY 282 N 0.00 0.75 1.33 3.41 0.00 -1.96 -0.69 103.07 105.90 1i29 h GLY 282 Ca 0.22 -0.35 -0.18 0.00 0.00 0.00 0.00 47.33 47.02 1i29 h GLY 282 CO -0.62 0.33 -0.60 -1.33 0.00 0.00 0.00 176.54 174.32 1i29 h GLY 283 N 0.82 0.76 0.88 4.60 0.00 0.04 -2.17 103.07 107.99 1i29 h GLY 283 Ca 0.17 -0.93 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 1i29 h GLY 283 CO -0.02 0.83 0.01 -2.22 0.00 0.00 0.00 176.54 175.14 1i29 h ILE 284 N 0.52 1.10 -0.43 2.60 2.04 -0.69 0.24 117.51 122.89 1i29 h ILE 284 Ca -0.00 -0.30 0.07 0.00 1.00 0.00 0.00 64.86 65.63 1i29 h ILE 284 Cb 1.18 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 38.48 1i29 h ILE 284 CO 0.12 0.08 0.05 0.40 0.00 0.00 0.00 178.15 178.80 1i29 h ILE 285 N -0.10 0.72 -0.49 -0.67 1.08 -1.13 -0.17 117.51 116.76 1i29 h ILE 285 Ca 0.01 -0.06 -0.03 0.00 -0.39 0.00 0.00 64.86 64.39 1i29 h ILE 285 Cb 0.13 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 1i29 h ILE 285 CO -0.00 0.03 0.18 1.23 -0.69 0.00 0.00 178.15 178.90 1i29 h GLY 286 N 0.16 0.75 1.17 5.37 0.00 -1.04 -2.20 103.07 107.29 1i29 h GLY 286 Ca 0.21 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 1i29 h GLY 286 CO -0.31 0.36 0.21 -2.00 0.00 0.00 0.00 176.54 174.79 1i29 h LEU 287 N 0.69 0.97 -0.44 3.11 5.85 0.11 -1.53 115.31 124.09 1i29 h LEU 287 Ca 0.17 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1i29 h LEU 287 Cb 0.17 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1i29 h LEU 287 CO -0.01 0.91 0.28 1.23 -0.34 0.00 0.00 178.44 180.51 1i29 h GLY 288 N 1.07 0.62 0.82 3.75 0.00 -0.54 0.88 103.07 109.67 1i29 h GLY 288 Ca 0.22 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.34 1i29 h GLY 288 CO -0.01 0.23 0.19 0.00 0.00 0.00 0.00 176.54 176.95 1i29 h ALA 289 N 1.15 0.46 0.12 3.60 0.00 -0.99 -0.36 119.26 123.24 1i29 h ALA 289 Ca 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1i29 h ALA 289 Cb -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1i29 h ALA 289 CO -0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 179.25 178.98 1i29 h ALA 290 N 1.20 -0.16 -0.54 0.00 0.00 -0.87 -0.23 119.26 118.64 1i29 h ALA 290 Ca 0.16 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1i29 h ALA 290 Cb 0.06 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 1i29 h ALA 290 CO -0.11 -0.59 0.03 -0.07 0.00 0.00 0.00 179.25 178.51 1i29 h LEU 291 N -0.17 -0.18 -0.75 0.00 3.38 -0.38 -0.68 115.31 116.53 1i29 h LEU 291 Ca -0.02 0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1i29 h LEU 291 Cb 0.13 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1i29 h LEU 291 CO 0.03 -0.06 0.03 -0.08 0.09 0.00 0.00 178.44 178.44 1i29 h GLU 292 N 0.15 0.98 -0.23 1.13 4.81 -0.85 -2.37 114.58 118.20 1i29 h GLU 292 Ca 0.28 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1i29 h GLU 292 Cb 0.43 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1i29 h GLU 292 CO -0.44 0.95 0.02 -0.92 -0.73 0.00 0.00 179.01 177.89 1i29 h TYR 293 N 0.90 0.41 -0.73 0.92 5.03 -0.04 -1.76 116.97 121.70 1i29 h TYR 293 Ca 0.17 -0.06 -0.04 0.00 2.58 0.00 0.00 58.73 61.38 1i29 h TYR 293 Cb 0.49 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.63 1i29 h TYR 293 CO 0.03 0.53 0.28 0.28 -1.32 0.00 0.00 178.16 177.97 1i29 h VAL 294 N 0.17 1.25 -0.19 1.81 2.07 -1.13 -2.21 116.25 118.02 1i29 h VAL 294 Ca 0.07 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 1i29 h VAL 294 Cb 0.35 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1i29 h VAL 294 CO 0.01 0.32 -0.15 0.28 0.02 0.00 0.00 177.57 178.05 1i29 h SER 295 N 1.06 0.29 -0.46 0.57 0.02 -1.29 -1.17 113.55 112.57 1i29 h SER 295 Ca 0.24 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1i29 h SER 295 Cb 0.21 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1i29 h SER 295 CO -0.02 0.47 0.19 0.00 -1.14 0.00 0.00 176.83 176.33 1i29 h ALA 296 N 1.57 1.39 0.00 3.77 0.00 -0.68 -2.19 119.26 123.12 1i29 h ALA 296 Ca 0.06 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1i29 h ALA 296 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1i29 h ALA 296 CO 0.03 0.46 -0.83 -0.07 0.00 0.00 0.00 179.25 178.83 1i29 h LEU 297 N 0.72 0.00 -1.80 0.00 3.38 -1.33 -3.50 115.31 112.78 1i29 h LEU 297 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1i29 h LEU 297 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1i29 h LEU 297 CO -0.02 0.47 0.00 0.61 0.09 0.00 0.00 178.44 179.59 1i29 n GLY 298 N 1.27 -2.67 0.49 0.83 0.00 -0.48 -4.41 105.19 100.22 1i29 n GLY 298 Ca -0.02 -0.62 0.30 0.00 0.00 0.00 0.00 46.02 45.67 1i29 n GLY 298 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1i29 h LEU 299 N 0.00 0.00 -0.29 0.99 -0.00 -1.85 0.12 115.31 114.28 1i29 h LEU 299 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.68 1i29 h LEU 299 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1i29 h LEU 299 CO 0.00 0.00 -0.79 0.78 -0.00 0.00 0.00 178.44 178.43 1i29 h ASN 300 N 0.00 0.62 -0.37 -0.43 2.35 -1.93 0.17 115.58 116.00 1i29 h ASN 300 Ca 0.44 -0.43 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 1i29 h ASN 300 Cb 2.01 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 40.19 1i29 h ASN 300 CO -0.00 1.19 -0.24 0.78 -1.65 0.00 0.00 177.43 177.50 1i29 h ASN 301 N 0.34 0.85 -0.33 5.81 2.35 -0.99 -2.07 115.58 121.54 1i29 h ASN 301 Ca -0.05 -0.43 -0.06 0.00 -0.55 0.00 0.00 56.30 55.21 1i29 h ASN 301 Cb 1.39 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 1i29 h ASN 301 CO 0.14 1.10 -0.03 0.40 -1.65 0.00 0.00 177.43 177.39 1i29 h ILE 302 N 0.61 1.27 -0.46 2.81 2.04 -1.40 -1.78 117.51 120.60 1i29 h ILE 302 Ca 0.07 -1.03 0.09 0.00 1.00 0.00 0.00 64.86 64.99 1i29 h ILE 302 Cb 0.81 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1i29 h ILE 302 CO 0.07 0.34 0.31 0.00 0.00 0.00 0.00 178.15 178.87 1i29 h ALA 303 N 0.83 2.15 0.05 1.87 0.00 -0.54 -1.16 119.26 122.46 1i29 h ALA 303 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1i29 h ALA 303 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1i29 h ALA 303 CO 0.02 -0.25 -0.02 1.49 0.00 0.00 0.00 179.25 180.49 1i29 h GLU 304 N 0.22 -0.06 -0.69 0.00 4.81 -1.03 -2.43 114.58 115.39 1i29 h GLU 304 Ca 0.21 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.54 1i29 h GLU 304 Cb 0.56 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 1i29 h GLU 304 CO -0.04 0.46 0.46 -0.92 -0.73 0.00 0.00 179.01 178.24 1i29 h TYR 305 N -0.96 0.59 0.06 0.92 3.20 -1.10 -1.29 116.97 118.38 1i29 h TYR 305 Ca -0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1i29 h TYR 305 Cb 0.54 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1i29 h TYR 305 CO 0.13 0.28 -0.03 0.93 -1.64 0.00 0.00 178.16 177.83 1i29 h GLU 306 N 0.55 -0.08 -0.24 1.82 5.08 -1.31 -1.89 114.58 118.51 1i29 h GLU 306 Ca 0.32 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.75 1i29 h GLU 306 Cb 0.51 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1i29 h GLU 306 CO -0.10 0.44 0.21 0.37 -1.00 0.00 0.00 179.01 178.93 1i29 h GLN 307 N -0.67 0.00 0.01 2.33 4.15 -1.03 0.79 115.11 120.70 1i29 h GLN 307 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1i29 h GLN 307 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1i29 h GLN 307 CO 0.01 0.00 -0.00 -0.97 -1.93 0.00 0.00 178.83 175.94 1i29 h ASN 308 N 0.00 -0.01 0.01 -0.69 -0.73 -1.20 -2.65 115.58 110.31 1i29 h ASN 308 Ca 0.12 -0.72 -0.00 0.00 1.87 0.00 0.00 56.30 57.56 1i29 h ASN 308 Cb 0.54 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.14 1i29 h ASN 308 CO -0.00 0.73 -0.00 0.25 -0.37 0.00 0.00 177.43 178.03 1i29 h LEU 309 N -0.76 0.00 -0.08 0.34 5.85 -0.38 -2.00 115.31 118.28 1i29 h LEU 309 Ca -0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1i29 h LEU 309 Cb 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1i29 h LEU 309 CO 0.00 0.00 -0.31 -0.03 -0.34 0.00 0.00 178.44 177.76 1i29 h MET 310 N 0.00 0.35 -0.94 1.25 4.05 -0.88 -1.22 114.93 117.54 1i29 h MET 310 Ca -0.00 -0.27 0.02 0.00 -0.28 0.00 0.00 59.70 59.16 1i29 h MET 310 Cb 0.01 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.81 1i29 h MET 310 CO 0.00 0.91 0.62 1.25 0.23 0.00 0.00 176.91 179.92 1i29 h HIS 311 N -0.13 1.17 0.53 1.39 -0.00 -1.01 0.05 115.15 117.15 1i29 h HIS 311 Ca -0.02 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.36 1i29 h HIS 311 Cb 0.96 -0.40 0.00 0.00 -0.00 0.00 0.00 27.41 27.97 1i29 h HIS 311 CO 0.12 0.72 -0.26 -0.92 -0.00 0.00 0.00 177.93 177.60 1i29 h TYR 312 N 1.25 -0.68 -0.38 5.26 3.20 -1.37 -2.32 116.97 121.93 1i29 h TYR 312 Ca 0.35 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.29 1i29 h TYR 312 Cb -0.11 0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.31 1i29 h TYR 312 CO -0.01 -0.42 -0.15 0.00 -1.64 0.00 0.00 178.16 175.95 1i29 h ALA 313 N -0.24 0.16 0.45 1.82 0.00 -0.73 -1.67 119.26 119.06 1i29 h ALA 313 Ca -0.07 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1i29 h ALA 313 Cb 0.55 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1i29 h ALA 313 CO 0.11 -0.51 -0.29 -0.07 0.00 0.00 0.00 179.25 178.49 1i29 h LEU 314 N -0.07 -0.74 -0.75 0.00 3.38 -0.88 -1.30 115.31 114.94 1i29 h LEU 314 Ca 0.19 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.33 1i29 h LEU 314 Cb 0.36 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 1i29 h LEU 314 CO -0.43 -0.46 0.33 0.77 0.09 0.00 0.00 178.44 178.74 1i29 h SER 315 N -0.72 0.36 -0.51 -0.43 4.64 -1.25 -0.95 113.55 114.69 1i29 h SER 315 Ca -0.05 0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1i29 h SER 315 Cb 0.59 0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 1i29 h SER 315 CO 0.04 0.16 0.28 1.56 -0.87 0.00 0.00 176.83 178.01 1i29 h GLN 316 N 0.51 0.75 0.00 4.77 1.08 -1.02 -2.04 115.11 119.16 1i29 h GLN 316 Ca 0.40 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 1i29 h GLN 316 Cb 0.56 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1i29 h GLN 316 CO -0.36 0.56 0.00 1.28 -0.95 0.00 0.00 178.83 179.36 1i29 n LEU 317 N -4.39 0.00 0.13 1.46 4.77 -0.37 -2.55 117.00 116.06 1i29 n LEU 317 Ca 0.05 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1i29 n LEU 317 Cb 0.11 -0.18 0.13 0.00 -2.33 0.00 0.00 43.42 41.15 1i29 n LEU 317 CO 0.37 -0.09 0.46 -0.33 -1.33 0.00 0.00 177.39 176.48 1i29 h GLU 318 N 0.00 0.00 0.00 3.23 5.08 -1.33 -2.95 114.58 118.61 1i29 h GLU 318 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i29 h GLU 318 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1i29 h GLU 318 CO 0.00 0.62 0.00 -1.13 -1.00 0.00 0.00 179.01 177.50 1i29 n SER 319 N -3.53 0.00 -4.59 1.42 3.41 -1.06 -4.63 113.62 104.64 1i29 n SER 319 Ca -0.00 -0.71 -0.39 0.00 -0.26 0.00 0.00 58.87 57.51 1i29 n SER 319 Cb 0.68 -0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.53 1i29 n SER 319 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1i29 s VAL 320 N -2.00 5.20 0.33 -3.33 1.01 -1.12 -5.02 120.40 115.46 1i29 s VAL 320 Ca 0.34 0.38 -0.28 0.00 0.00 0.00 0.00 61.98 62.43 1i29 s VAL 320 Cb 0.16 -3.69 -0.09 0.00 0.00 0.00 0.00 36.38 32.75 1i29 s VAL 320 CO 0.26 0.12 1.13 -2.16 0.00 0.00 0.00 175.10 174.45 1i29 s PRO 321 N 2.00 4.42 0.00 2.72 0.04 -1.26 -3.48 135.00 139.44 1i29 s PRO 321 Ca 0.13 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1i29 s PRO 321 Cb -0.16 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1i29 s PRO 321 CO 0.11 0.01 0.00 -0.25 0.04 0.00 0.00 177.00 176.91 1i29 n ASP 322 N 0.73 -1.05 -4.72 6.66 10.43 -1.26 -4.74 116.55 122.60 1i29 n ASP 322 Ca 0.01 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.95 1i29 n ASP 322 Cb 0.46 -1.25 -0.03 0.00 1.84 0.00 0.00 41.12 42.13 1i29 n ASP 322 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1i29 s LEU 323 N 0.00 4.39 -0.19 0.64 2.96 -1.23 -1.88 118.68 123.37 1i29 s LEU 323 Ca 0.00 2.25 0.01 0.00 -0.22 0.00 0.00 54.13 56.18 1i29 s LEU 323 Cb 0.00 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 43.12 1i29 s LEU 323 CO 0.00 -0.54 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.42 1i29 s THR 324 N 0.69 2.05 0.24 3.68 2.01 -0.85 -4.98 115.64 118.48 1i29 s THR 324 Ca 0.59 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1i29 s THR 324 Cb -0.34 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1i29 s THR 324 CO 0.33 0.43 0.43 -0.76 -0.69 0.00 0.00 174.62 174.35 1i29 s LEU 325 N 1.27 4.19 -0.06 4.42 1.43 -1.26 -1.95 118.68 126.71 1i29 s LEU 325 Ca 0.02 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 1i29 s LEU 325 Cb -0.14 -3.17 0.01 0.00 0.03 0.00 0.00 46.19 42.91 1i29 s LEU 325 CO -0.11 -0.11 -0.15 -0.31 0.23 0.00 0.00 176.35 175.89 1i29 s TYR 326 N -2.00 1.66 0.00 0.29 1.51 -0.52 -4.97 117.35 113.32 1i29 s TYR 326 Ca 0.38 -0.58 0.00 0.00 -1.01 0.00 0.00 57.07 55.87 1i29 s TYR 326 Cb -0.10 -1.16 0.00 0.00 -0.11 0.00 0.00 41.96 40.58 1i29 s TYR 326 CO 0.31 -0.25 0.00 0.41 -1.11 0.00 0.00 175.55 174.90 1i29 n GLY 327 N 3.54 1.02 3.77 0.71 0.00 -1.26 -4.36 105.19 108.61 1i29 n GLY 327 Ca -0.21 -2.21 -0.30 0.00 0.00 0.00 0.00 46.02 43.30 1i29 n GLY 327 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i29 s PRO 328 N -1.23 1.92 0.15 1.61 0.04 -0.27 -4.68 135.00 132.53 1i29 s PRO 328 Ca 0.00 0.85 -0.07 0.00 0.04 0.00 0.00 61.00 61.82 1i29 s PRO 328 Cb 0.00 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 1i29 s PRO 328 CO 0.00 -1.79 1.41 1.96 0.04 0.00 0.00 177.00 178.62 1i29 h GLN 329 N -1.22 0.66 -3.42 4.56 1.08 -1.97 -3.26 115.11 111.53 1i29 h GLN 329 Ca -0.47 -0.48 -0.75 0.00 -1.45 0.00 0.00 58.65 55.50 1i29 h GLN 329 Cb 1.26 0.08 -0.15 0.00 -0.05 0.00 0.00 27.48 28.62 1i29 h GLN 329 CO 0.56 1.10 2.11 0.09 -0.95 0.00 0.00 178.83 181.74 1i29 n ASN 330 N -3.93 5.34 -4.94 1.46 4.13 -1.26 -4.96 115.26 111.09 1i29 n ASN 330 Ca -0.05 -3.10 -0.24 0.00 1.68 0.00 0.00 54.58 52.86 1i29 n ASN 330 Cb 0.68 -1.47 -0.01 0.00 -1.54 0.00 0.00 39.78 37.43 1i29 n ASN 330 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i29 s ARG 331 N 0.33 3.49 -0.15 3.52 1.70 -1.23 -4.74 118.95 121.87 1i29 s ARG 331 Ca 0.41 -0.27 -0.01 0.00 -0.47 0.00 0.00 55.73 55.39 1i29 s ARG 331 Cb 0.11 -2.63 0.04 0.00 -0.57 0.00 0.00 34.95 31.89 1i29 s ARG 331 CO -0.01 0.11 -0.04 -1.17 -1.08 0.00 0.00 175.30 173.12 1i29 s LEU 332 N -4.34 1.40 0.00 -1.89 2.96 0.84 -4.92 118.68 112.73 1i29 s LEU 332 Ca 0.41 -0.57 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1i29 s LEU 332 Cb -0.10 -0.82 0.00 0.00 0.50 0.00 0.00 46.19 45.78 1i29 s LEU 332 CO 0.37 -0.19 0.00 0.61 -1.32 0.00 0.00 176.35 175.82 1i29 n GLY 333 N 4.93 1.19 3.43 7.98 0.00 -1.26 -4.56 105.19 116.90 1i29 n GLY 333 Ca -0.11 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 1i29 n GLY 333 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i29 s VAL 334 N -0.04 2.32 -0.18 1.61 -7.23 -1.26 -0.41 120.40 115.21 1i29 s VAL 334 Ca 0.00 -2.25 -0.01 0.00 -1.81 0.00 0.00 61.98 57.91 1i29 s VAL 334 Cb 0.00 -2.19 0.05 0.00 0.56 0.00 0.00 36.38 34.80 1i29 s VAL 334 CO 0.00 -0.33 -0.01 -0.63 -0.31 0.00 0.00 175.10 173.82 1i29 s ILE 335 N -2.28 0.81 -0.19 -0.62 1.01 0.47 -4.57 121.20 115.82 1i29 s ILE 335 Ca 0.26 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 1i29 s ILE 335 Cb -0.05 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 1i29 s ILE 335 CO 0.12 -0.04 0.22 0.00 0.00 0.00 0.00 174.94 175.25 1i29 s ALA 336 N 1.75 3.62 0.28 9.38 0.00 -1.25 -1.47 121.76 134.08 1i29 s ALA 336 Ca -0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 51.96 51.18 1i29 s ALA 336 Cb -0.16 -2.33 0.01 0.00 0.00 0.00 0.00 23.12 20.64 1i29 s ALA 336 CO -0.07 0.02 0.62 -0.59 0.00 0.00 0.00 175.76 175.74 1i29 s PHE 337 N 0.62 0.14 0.01 0.00 -0.12 -0.32 -1.44 117.98 116.86 1i29 s PHE 337 Ca 0.12 -0.57 -0.03 0.00 -0.05 0.00 0.00 56.93 56.40 1i29 s PHE 337 Cb -0.13 0.47 -0.01 0.00 -0.63 0.00 0.00 43.02 42.73 1i29 s PHE 337 CO 0.02 -1.18 0.05 -0.80 -0.05 0.00 0.00 175.22 173.27 1i29 s ASN 338 N -2.99 0.11 -0.29 1.98 0.01 -0.82 0.44 114.94 113.37 1i29 s ASN 338 Ca 0.17 -0.29 -0.09 0.00 -0.71 0.00 0.00 52.86 51.94 1i29 s ASN 338 Cb -0.03 0.15 -0.02 0.00 0.41 0.00 0.00 41.25 41.76 1i29 s ASN 338 CO 0.09 -0.29 0.13 -0.22 -1.51 0.00 0.00 177.10 175.30 1i29 s LEU 339 N -1.22 3.90 0.00 0.60 0.20 -1.26 -2.01 118.68 118.88 1i29 s LEU 339 Ca -0.13 -0.39 0.00 0.00 0.69 0.00 0.00 54.13 54.30 1i29 s LEU 339 Cb -0.08 -1.99 0.00 0.00 -0.43 0.00 0.00 46.19 43.70 1i29 s LEU 339 CO 0.00 -0.13 0.00 0.61 -0.29 0.00 0.00 176.35 176.54 1i29 n GLY 340 N 4.97 2.37 1.31 7.98 0.00 -0.79 -1.30 105.19 119.73 1i29 n GLY 340 Ca -0.15 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1i29 n GLY 340 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1i29 n LYS 341 N 14.00 3.11 -2.66 1.61 -0.00 -1.26 -4.97 118.16 127.99 1i29 n LYS 341 Ca 0.00 -2.66 -0.42 0.00 -0.00 0.00 0.00 58.31 55.23 1i29 n LYS 341 Cb 0.00 -1.65 -0.03 0.00 -0.00 0.00 0.00 35.03 33.35 1i29 n LYS 341 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1i29 s HIS 342 N -1.36 3.64 0.27 5.58 4.02 -0.42 -5.00 115.29 122.03 1i29 s HIS 342 Ca 0.46 1.64 -0.30 0.00 1.02 0.00 0.00 55.06 57.88 1i29 s HIS 342 Cb 0.26 -3.17 -0.13 0.00 -1.02 0.00 0.00 32.58 28.53 1i29 s HIS 342 CO 0.27 -0.22 1.40 0.72 1.02 0.00 0.00 174.74 177.93 1i29 n HIS 343 N 3.69 2.27 -0.04 1.40 8.25 -1.26 -4.43 115.22 125.10 1i29 n HIS 343 Ca 0.06 0.44 0.15 0.00 -0.26 0.00 0.00 57.72 58.11 1i29 n HIS 343 Cb 0.50 -2.47 0.58 0.00 1.12 0.00 0.00 29.99 29.72 1i29 n HIS 343 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i29 h ALA 344 N 3.89 2.20 -0.88 -1.41 0.00 -1.93 -0.92 119.26 120.21 1i29 h ALA 344 Ca -0.45 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.48 1i29 h ALA 344 Cb 1.27 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1i29 h ALA 344 CO 0.73 -0.34 0.58 -0.92 0.00 0.00 0.00 179.25 179.30 1i29 h TYR 345 N 0.23 1.05 0.17 0.00 3.20 -1.93 -0.20 116.97 119.50 1i29 h TYR 345 Ca 0.26 0.03 -0.29 0.00 3.14 0.00 0.00 58.73 61.86 1i29 h TYR 345 Cb 0.71 -0.35 0.03 0.00 1.54 0.00 0.00 36.73 38.66 1i29 h TYR 345 CO -0.00 0.61 -1.24 -0.44 -1.64 0.00 0.00 178.16 175.44 1i29 h ASP 346 N 1.08 0.79 -0.68 -2.11 3.32 -1.54 -1.80 116.42 115.49 1i29 h ASP 346 Ca 0.35 -0.88 0.03 0.00 0.02 0.00 0.00 57.03 56.56 1i29 h ASP 346 Cb 0.04 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 1i29 h ASP 346 CO -0.11 1.60 0.42 0.58 -1.72 0.00 0.00 179.24 180.01 1i29 h VAL 347 N 0.10 1.07 0.00 -1.35 2.07 -1.14 -0.61 116.25 116.40 1i29 h VAL 347 Ca -0.20 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 1i29 h VAL 347 Cb 1.95 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1i29 h VAL 347 CO 0.24 0.15 -0.51 1.23 0.02 0.00 0.00 177.57 178.69 1i29 h GLY 348 N 0.81 0.00 1.02 2.17 0.00 -1.09 -2.18 103.07 103.80 1i29 h GLY 348 Ca 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.51 1i29 h GLY 348 CO -0.12 0.00 -0.10 0.23 0.00 0.00 0.00 176.54 176.55 1i29 h SER 349 N 0.00 0.86 -0.19 0.19 0.87 -0.34 -0.87 113.55 114.07 1i29 h SER 349 Ca -0.01 -0.36 -0.15 0.00 -1.23 0.00 0.00 61.79 60.04 1i29 h SER 349 Cb 0.92 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1i29 h SER 349 CO 0.07 1.02 -0.43 -0.26 -0.53 0.00 0.00 176.83 176.70 1i29 h PHE 350 N 0.69 0.89 -0.30 2.24 -1.00 -1.06 -2.72 116.94 115.68 1i29 h PHE 350 Ca 0.11 -0.27 -0.07 0.00 2.81 0.00 0.00 57.97 60.55 1i29 h PHE 350 Cb 0.64 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 40.00 1i29 h PHE 350 CO 0.05 1.03 -0.11 -0.07 -1.61 0.00 0.00 178.31 177.60 1i29 h LEU 351 N 0.60 0.49 -0.61 1.54 3.38 -1.24 -2.43 115.31 117.03 1i29 h LEU 351 Ca 0.04 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1i29 h LEU 351 Cb 0.98 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1i29 h LEU 351 CO 0.09 0.64 -0.06 -0.78 0.09 0.00 0.00 178.44 178.41 1i29 h ASP 352 N 0.47 1.02 0.08 -0.43 3.58 -1.01 -0.31 116.42 119.82 1i29 h ASP 352 Ca 0.09 -0.32 -0.01 0.00 0.42 0.00 0.00 57.03 57.22 1i29 h ASP 352 Cb 0.48 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 1i29 h ASP 352 CO 0.03 1.10 -0.03 -1.13 -2.88 0.00 0.00 179.24 176.33 1i29 h ASN 353 N 0.92 0.00 -0.11 2.28 -1.24 -1.13 0.12 115.58 116.42 1i29 h ASN 353 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.16 1i29 h ASN 353 Cb 0.62 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.67 1i29 h ASN 353 CO 0.04 0.03 0.00 -1.22 -1.29 0.00 0.00 177.43 174.99 1i29 n TYR 354 N -3.92 0.13 -1.89 0.67 0.53 -0.88 -4.90 117.16 106.90 1i29 n TYR 354 Ca -0.03 -0.07 0.00 0.00 -1.02 0.00 0.00 57.90 56.79 1i29 n TYR 354 Cb 0.12 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.43 1i29 n TYR 354 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1i29 n GLY 355 N 1.10 0.50 3.18 2.72 0.00 0.41 -4.90 105.19 108.20 1i29 n GLY 355 Ca 0.17 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1i29 n GLY 355 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i29 s ILE 356 N -2.04 2.05 -0.21 -0.61 1.01 -0.18 -1.00 121.20 120.22 1i29 s ILE 356 Ca 0.00 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.50 1i29 s ILE 356 Cb 0.00 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1i29 s ILE 356 CO 0.00 0.55 0.43 0.00 0.00 0.00 0.00 174.94 175.92 1i29 s ALA 357 N 0.75 3.56 0.04 9.38 0.00 -0.56 -3.13 121.76 131.81 1i29 s ALA 357 Ca -0.09 -0.53 -0.12 0.00 0.00 0.00 0.00 51.96 51.23 1i29 s ALA 357 Cb -0.16 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.27 1i29 s ALA 357 CO -0.00 -0.40 0.25 0.08 0.00 0.00 0.00 175.76 175.69 1i29 s VAL 358 N 1.53 0.09 0.07 0.00 1.01 -1.26 -1.57 120.40 120.27 1i29 s VAL 358 Ca 0.20 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1i29 s VAL 358 Cb -0.15 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1i29 s VAL 358 CO 0.09 -0.43 0.30 -0.13 0.00 0.00 0.00 175.10 174.93 1i29 s ARG 359 N -2.54 3.58 -0.01 2.72 1.81 -1.18 -4.95 118.95 118.38 1i29 s ARG 359 Ca -0.05 -0.13 -0.00 0.00 -1.72 0.00 0.00 55.73 53.83 1i29 s ARG 359 Cb -0.01 -2.99 0.02 0.00 -0.45 0.00 0.00 34.95 31.51 1i29 s ARG 359 CO -0.03 0.58 0.03 0.95 -0.68 0.00 0.00 175.30 176.14 1i29 s THR 360 N -1.46 -0.03 -5.00 0.02 -4.23 -1.26 -1.19 115.64 102.49 1i29 s THR 360 Ca 0.34 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 1i29 s THR 360 Cb -0.13 -0.06 0.00 0.00 1.34 0.00 0.00 72.50 73.65 1i29 s THR 360 CO 0.21 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 1i29 n GLY 361 N 3.65 0.64 0.75 3.99 0.00 -1.06 -4.86 105.19 108.30 1i29 n GLY 361 Ca -0.20 -1.61 0.12 0.00 0.00 0.00 0.00 46.02 44.34 1i29 n GLY 361 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1i29 n HIS 362 N 9.00 0.00 -3.09 1.61 -0.00 -1.26 -1.77 115.22 119.71 1i29 n HIS 362 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.50 1i29 n HIS 362 Cb 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 1i29 n HIS 362 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1i29 n HIS 363 N 0.80 -1.81 -3.75 -1.40 -0.00 -1.26 -1.15 115.22 106.65 1i29 n HIS 363 Ca 0.14 0.43 -0.25 0.00 -0.00 0.00 0.00 57.72 58.05 1i29 n HIS 363 Cb 0.51 -3.67 0.04 0.00 -0.00 0.00 0.00 29.99 26.87 1i29 n HIS 363 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1i29 n ALA 365 N -4.54 0.43 -0.15 0.00 0.00 -0.30 -0.97 120.51 114.97 1i29 n ALA 365 Ca -0.11 -2.05 -0.06 0.00 0.00 0.00 0.00 53.44 51.23 1i29 n ALA 365 Cb 0.60 -1.07 0.03 0.00 0.00 0.00 0.00 19.45 19.01 1i29 n ALA 365 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1i29 h MET 366 N 2.88 0.51 -0.88 0.00 2.86 -1.91 -2.52 114.93 115.88 1i29 h MET 366 Ca -0.07 -0.03 0.20 0.00 -2.06 0.00 0.00 59.70 57.74 1i29 h MET 366 Cb 1.09 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.58 1i29 h MET 366 CO 0.22 0.34 0.59 -1.35 1.06 0.00 0.00 176.91 177.77 1i29 h PRO 367 N 0.53 0.34 -0.02 -0.22 0.11 -1.91 0.74 132.00 131.56 1i29 h PRO 367 Ca 0.20 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 66.08 1i29 h PRO 367 Cb 0.06 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 1i29 h PRO 367 CO -0.11 0.23 -0.86 1.25 -0.21 0.00 0.00 178.00 178.29 1i29 h LEU 368 N 0.35 0.48 -0.50 2.35 5.85 -1.54 -2.78 115.31 119.52 1i29 h LEU 368 Ca 0.45 -0.36 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 1i29 h LEU 368 Cb 1.20 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1i29 h LEU 368 CO -0.15 1.14 -0.14 0.24 -0.34 0.00 0.00 178.44 179.19 1i29 h MET 369 N 0.23 0.98 0.00 1.25 2.86 -0.66 -2.76 114.93 116.83 1i29 h MET 369 Ca -0.06 -0.38 -0.04 0.00 -2.06 0.00 0.00 59.70 57.16 1i29 h MET 369 Cb 1.48 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.08 1i29 h MET 369 CO 0.15 1.06 -0.19 0.00 1.06 0.00 0.00 176.91 178.98 1i29 h ALA 370 N 0.89 1.33 -0.35 6.32 0.00 -1.08 -1.69 119.26 124.69 1i29 h ALA 370 Ca 0.12 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1i29 h ALA 370 Cb 0.71 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1i29 h ALA 370 CO 0.05 0.24 -0.10 -0.92 0.00 0.00 0.00 179.25 178.52 1i29 h TYR 371 N 0.00 0.64 -0.45 0.00 3.20 -1.19 -2.73 116.97 116.45 1i29 h TYR 371 Ca -0.00 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1i29 h TYR 371 Cb 0.44 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1i29 h TYR 371 CO 0.00 0.68 0.00 0.66 -1.64 0.00 0.00 178.16 177.86 1i29 n TYR 372 N -4.20 0.59 -1.41 -3.82 4.02 -0.69 -4.93 117.16 106.73 1i29 n TYR 372 Ca 0.01 -0.29 -0.15 0.00 -0.01 0.00 0.00 57.90 57.46 1i29 n TYR 372 Cb 0.33 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.58 1i29 n TYR 372 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1i29 n ASN 373 N 1.08 -5.00 -4.81 7.72 4.13 -0.89 -4.95 115.26 112.54 1i29 n ASN 373 Ca 0.18 0.37 -0.36 0.00 1.68 0.00 0.00 54.58 56.45 1i29 n ASN 373 Cb 0.48 -4.15 -0.07 0.00 -1.54 0.00 0.00 39.78 34.50 1i29 n ASN 373 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1i29 s VAL 374 N -2.24 5.09 -0.67 2.41 1.01 -0.95 -5.00 120.40 120.06 1i29 s VAL 374 Ca 0.00 0.04 0.25 0.00 0.00 0.00 0.00 61.98 62.27 1i29 s VAL 374 Cb 0.00 -3.20 0.29 0.00 0.00 0.00 0.00 36.38 33.47 1i29 s VAL 374 CO 0.00 0.61 1.73 1.55 0.00 0.00 0.00 175.10 178.98 1i29 h PRO 375 N 5.01 0.00 0.00 2.72 0.13 -1.92 -3.37 132.00 134.56 1i29 h PRO 375 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1i29 h PRO 375 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1i29 h PRO 375 CO 0.57 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 1i29 n ALA 376 N -1.86 0.00 -2.52 -0.56 0.00 -1.26 -4.58 120.51 109.73 1i29 n ALA 376 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.34 1i29 n ALA 376 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 1i29 n ALA 376 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i29 s MET 377 N -2.00 1.66 0.22 0.00 0.23 -0.73 -4.70 119.30 113.99 1i29 s MET 377 Ca 0.00 -1.79 -0.02 0.00 -1.03 0.00 0.00 55.69 52.85 1i29 s MET 377 Cb 0.00 0.36 -0.05 0.00 -1.53 0.00 0.00 34.83 33.62 1i29 s MET 377 CO 0.00 -0.64 0.44 0.00 -2.03 0.00 0.00 175.02 172.79 1i29 s ARG 379 N -3.36 0.29 -0.03 0.00 3.52 -0.33 -1.17 118.95 117.87 1i29 s ARG 379 Ca 0.40 -0.22 -0.20 0.00 -0.13 0.00 0.00 55.73 55.58 1i29 s ARG 379 Cb -0.11 -0.77 -0.05 0.00 -1.56 0.00 0.00 34.95 32.46 1i29 s ARG 379 CO 0.29 -1.02 0.57 0.00 -0.81 0.00 0.00 175.30 174.33 1i29 s ALA 380 N 2.31 3.48 -0.06 6.12 0.00 -0.54 -3.10 121.76 129.97 1i29 s ALA 380 Ca 0.09 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1i29 s ALA 380 Cb -0.14 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 1i29 s ALA 380 CO -0.33 0.13 -0.08 -1.12 0.00 0.00 0.00 175.76 174.35 1i29 s SER 381 N 0.00 4.52 -0.22 0.00 0.01 0.09 -0.39 113.70 117.70 1i29 s SER 381 Ca 0.30 -0.07 -0.03 0.00 1.31 0.00 0.00 55.95 57.47 1i29 s SER 381 Cb -0.17 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 64.97 1i29 s SER 381 CO 0.16 0.35 -0.07 -0.76 0.41 0.00 0.00 173.24 173.33 1i29 s LEU 382 N -0.87 2.86 0.46 2.44 1.43 0.45 -4.39 118.68 121.06 1i29 s LEU 382 Ca 0.13 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 1i29 s LEU 382 Cb -0.11 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 1i29 s LEU 382 CO 0.02 -0.05 0.01 0.00 0.23 0.00 0.00 176.35 176.57 1i29 s ALA 383 N 1.42 3.63 0.42 4.21 0.00 -1.26 -4.69 121.76 125.48 1i29 s ALA 383 Ca 0.04 -1.40 0.15 0.00 0.00 0.00 0.00 51.96 50.75 1i29 s ALA 383 Cb -0.15 0.08 1.02 0.00 0.00 0.00 0.00 23.12 24.08 1i29 s ALA 383 CO -0.05 -0.08 1.92 0.00 0.00 0.00 0.00 175.76 177.55 1i29 h MET 384 N 1.56 0.44 -0.00 0.00 -0.00 -1.94 -1.16 114.93 113.82 1i29 h MET 384 Ca -0.44 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.23 1i29 h MET 384 Cb 1.28 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 32.78 1i29 h MET 384 CO 0.77 0.29 -0.01 2.48 -0.00 0.00 0.00 176.91 180.44 1i29 n TYR 385 N -4.49 0.00 -3.06 -0.10 0.18 -1.26 -4.85 117.16 103.58 1i29 n TYR 385 Ca 0.14 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.59 1i29 n TYR 385 Cb 0.52 -0.06 -0.06 0.00 -0.38 0.00 0.00 39.34 39.35 1i29 n TYR 385 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 1i29 s ASN 386 N -2.14 6.91 0.41 9.48 0.02 -0.44 -4.81 114.94 124.37 1i29 s ASN 386 Ca 0.41 1.42 0.07 0.00 -1.02 0.00 0.00 52.86 53.74 1i29 s ASN 386 Cb 0.21 -2.42 -0.07 0.00 0.02 0.00 0.00 41.25 38.99 1i29 s ASN 386 CO 0.39 -0.15 0.04 0.42 0.02 0.00 0.00 177.10 177.82 1i29 s THR 387 N -1.86 2.05 0.12 1.60 -4.23 -1.26 -4.90 115.64 107.17 1i29 s THR 387 Ca 0.52 -1.94 -0.18 0.00 -1.18 0.00 0.00 61.69 58.91 1i29 s THR 387 Cb -0.12 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 1i29 s THR 387 CO 0.18 0.00 1.73 0.45 -0.54 0.00 0.00 174.62 176.44 1i29 h HIS 388 N 1.70 0.41 -0.93 3.99 3.86 -1.98 -2.64 115.15 119.56 1i29 h HIS 388 Ca -0.44 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 58.92 1i29 h HIS 388 Cb 1.24 -0.13 -0.10 0.00 1.06 0.00 0.00 27.41 29.48 1i29 h HIS 388 CO 0.71 0.34 0.53 1.49 0.86 0.00 0.00 177.93 181.87 1i29 h GLU 389 N 0.37 0.72 -0.42 2.45 4.81 -1.99 0.24 114.58 120.76 1i29 h GLU 389 Ca 0.11 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1i29 h GLU 389 Cb 0.06 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1i29 h GLU 389 CO -0.02 0.48 0.09 0.93 -0.73 0.00 0.00 179.01 179.76 1i29 h GLU 390 N 0.75 0.62 -0.36 1.92 5.08 -1.89 -0.07 114.58 120.63 1i29 h GLU 390 Ca 0.51 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.73 1i29 h GLU 390 Cb 0.70 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1i29 h GLU 390 CO -0.35 0.58 0.13 0.28 -1.00 0.00 0.00 179.01 178.65 1i29 h VAL 391 N 0.61 1.20 -0.33 3.13 2.07 -0.36 -1.98 116.25 120.58 1i29 h VAL 391 Ca 0.14 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1i29 h VAL 391 Cb 0.26 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1i29 h VAL 391 CO -0.00 0.23 0.18 0.44 0.02 0.00 0.00 177.57 178.43 1i29 h ASP 392 N 0.44 0.42 -0.89 0.57 3.32 -0.69 -1.19 116.42 118.40 1i29 h ASP 392 Ca 0.12 -0.10 0.17 0.00 0.02 0.00 0.00 57.03 57.24 1i29 h ASP 392 Cb 0.23 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 39.56 1i29 h ASP 392 CO -0.01 0.40 0.46 -0.09 -1.72 0.00 0.00 179.24 178.28 1i29 h ARG 393 N 0.41 0.58 0.45 3.56 2.43 -0.77 0.27 114.38 121.30 1i29 h ARG 393 Ca 0.12 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1i29 h ARG 393 Cb 0.08 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1i29 h ARG 393 CO -0.02 0.38 -0.21 1.25 -1.51 0.00 0.00 179.97 179.86 1i29 h LEU 394 N 0.60 -0.51 -0.33 3.80 5.85 -0.79 -1.90 115.31 122.03 1i29 h LEU 394 Ca 0.51 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 59.21 1i29 h LEU 394 Cb 0.81 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.89 1i29 h LEU 394 CO -0.41 -0.15 -0.31 0.58 -0.34 0.00 0.00 178.44 177.81 1i29 h VAL 395 N -0.91 0.27 0.46 1.05 2.07 -0.27 0.36 116.25 119.27 1i29 h VAL 395 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1i29 h VAL 395 Cb 0.57 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1i29 h VAL 395 CO 0.10 0.00 -0.46 0.74 0.02 0.00 0.00 177.57 177.98 1i29 h THR 396 N -0.28 0.10 -0.21 2.57 2.02 -0.55 -1.35 112.91 115.21 1i29 h THR 396 Ca 0.15 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.40 1i29 h THR 396 Cb 0.53 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1i29 h THR 396 CO -0.48 0.00 0.21 1.23 0.37 0.00 0.00 175.52 176.85 1i29 h GLY 397 N -0.92 0.00 1.33 2.16 0.00 -1.07 0.24 103.07 104.80 1i29 h GLY 397 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.10 1i29 h GLY 397 CO -0.06 0.00 -0.61 -2.00 0.00 0.00 0.00 176.54 173.87 1i29 h LEU 398 N 0.00 0.78 -0.54 3.11 5.85 -0.04 -1.07 115.31 123.40 1i29 h LEU 398 Ca 0.10 -0.44 -0.16 0.00 0.84 0.00 0.00 57.88 58.22 1i29 h LEU 398 Cb 0.52 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1i29 h LEU 398 CO -0.00 1.20 -0.59 1.56 -0.34 0.00 0.00 178.44 180.27 1i29 h GLN 399 N 0.51 0.45 -0.07 1.25 4.20 0.01 -2.70 115.11 118.77 1i29 h GLN 399 Ca -0.00 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.40 1i29 h GLN 399 Cb 1.19 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 1i29 h GLN 399 CO 0.12 0.91 0.04 -0.09 -0.67 0.00 0.00 178.83 179.14 1i29 h ARG 400 N 0.34 0.10 -0.19 1.46 9.65 -0.87 -0.70 114.38 124.17 1i29 h ARG 400 Ca -0.00 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.92 1i29 h ARG 400 Cb 1.13 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.68 1i29 h ARG 400 CO 0.10 0.16 0.14 0.82 2.80 0.00 0.00 179.97 183.99 1i29 h ILE 401 N 0.03 0.88 -0.00 1.20 2.04 -1.11 0.00 117.51 120.54 1i29 h ILE 401 Ca 0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1i29 h ILE 401 Cb 0.08 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1i29 h ILE 401 CO -0.00 0.00 -0.01 -0.74 0.00 0.00 0.00 178.15 177.40 1i29 h HIS 402 N 0.00 0.01 0.00 1.37 2.76 -1.03 -2.12 115.15 116.14 1i29 h HIS 402 Ca 0.09 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 1i29 h HIS 402 Cb 0.37 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.32 1i29 h HIS 402 CO 0.00 0.68 -0.16 0.00 -1.30 0.00 0.00 177.93 177.15 1i29 h ARG 403 N -0.65 0.00 0.00 5.26 3.08 -0.49 0.31 114.38 121.88 1i29 h ARG 403 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i29 h ARG 403 Cb 0.68 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 1i29 h ARG 403 CO 0.00 0.16 -0.03 1.25 -1.07 0.00 0.00 179.97 180.28 1i29 h LEU 404 N 0.00 0.00 0.00 3.04 5.85 -1.05 -3.33 115.31 119.83 1i29 h LEU 404 Ca -0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1i29 h LEU 404 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1i29 h LEU 404 CO 0.02 0.53 0.00 0.18 -0.34 0.00 0.00 178.44 178.83 1i29 n LEU 405 N -4.77 0.00 0.00 2.25 4.77 -0.80 -5.10 117.00 113.36 1i29 n LEU 405 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1i29 n LEU 405 Cb 0.03 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1i29 n LEU 405 CO 0.02 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.63