#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bl9 n PRO 43 N 0.00 1.79 -3.83 3.23 -0.04 -1.26 -4.89 135.00 130.00 3bl9 n PRO 43 Ca 0.00 -0.81 -0.07 0.00 -0.04 0.00 0.00 63.50 62.58 3bl9 n PRO 43 Cb 0.00 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 3bl9 n PRO 43 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3bl9 s PHE 44 N -1.61 -0.03 -0.04 0.54 -0.12 -1.26 -5.08 117.98 110.38 3bl9 s PHE 44 Ca 0.15 -0.49 0.06 0.00 -0.05 0.00 0.00 56.93 56.60 3bl9 s PHE 44 Cb 0.09 0.75 -0.02 0.00 -0.63 0.00 0.00 43.02 43.22 3bl9 s PHE 44 CO 0.07 -1.29 -0.23 -1.54 -0.05 0.00 0.00 175.22 172.18 3bl9 s SER 45 N -3.03 3.30 -0.27 1.98 1.04 -1.26 -4.94 113.70 110.52 3bl9 s SER 45 Ca 0.14 -0.41 -0.00 0.00 0.48 0.00 0.00 55.95 56.15 3bl9 s SER 45 Cb -0.05 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.47 3bl9 s SER 45 CO 0.08 0.30 0.26 0.61 0.98 0.00 0.00 173.24 175.47 3bl9 n GLY 46 N 2.56 -0.65 3.61 7.32 0.00 -1.26 -0.41 105.19 116.36 3bl9 n GLY 46 Ca -0.17 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 3bl9 n GLY 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bl9 s PHE 47 N -2.98 1.78 -0.28 1.61 5.36 -1.26 -4.31 117.98 117.89 3bl9 s PHE 47 Ca 0.00 0.55 -0.08 0.00 -0.96 0.00 0.00 56.93 56.44 3bl9 s PHE 47 Cb -0.00 -4.08 -0.01 0.00 -0.34 0.00 0.00 43.02 38.59 3bl9 s PHE 47 CO 0.28 -3.18 0.10 0.50 -1.46 0.00 0.00 175.22 171.46 3bl9 s ARG 48 N 5.47 3.38 0.13 10.12 3.52 0.19 -4.92 118.95 136.83 3bl9 s ARG 48 Ca 0.81 -0.67 -0.31 0.00 -0.13 0.00 0.00 55.73 55.42 3bl9 s ARG 48 Cb -0.25 -3.43 -0.10 0.00 -1.56 0.00 0.00 34.95 29.61 3bl9 s ARG 48 CO 0.33 -0.34 1.84 -1.17 -0.81 0.00 0.00 175.30 175.15 3bl9 s LEU 49 N 1.58 4.40 -0.24 -0.88 2.96 -1.26 -0.05 118.68 125.19 3bl9 s LEU 49 Ca 0.05 2.77 -0.08 0.00 -0.22 0.00 0.00 54.13 56.65 3bl9 s LEU 49 Cb -0.16 -3.57 -0.17 0.00 0.50 0.00 0.00 46.19 42.79 3bl9 s LEU 49 CO 0.04 -1.01 -0.12 0.00 -1.32 0.00 0.00 176.35 173.94 3bl9 n GLN 50 N 5.66 0.64 -3.63 1.98 1.13 0.52 -4.86 117.38 118.81 3bl9 n GLN 50 Ca 0.18 0.26 -0.12 0.00 -1.94 0.00 0.00 57.00 55.38 3bl9 n GLN 50 Cb 0.38 -1.57 -0.07 0.00 0.11 0.00 0.00 30.24 29.09 3bl9 n GLN 50 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3bl9 s LYS 51 N -2.50 0.71 -0.52 -1.09 2.20 -0.81 -5.01 119.74 112.71 3bl9 s LYS 51 Ca -0.34 0.86 -0.29 0.00 -0.36 0.00 0.00 55.97 55.85 3bl9 s LYS 51 Cb 0.10 0.34 0.03 0.00 -1.51 0.00 0.00 37.83 36.79 3bl9 s LYS 51 CO 0.59 -0.09 1.18 0.08 -0.36 0.00 0.00 175.35 176.75 3bl9 s VAL 52 N 0.39 4.10 0.12 4.02 1.01 -1.26 -0.17 120.40 128.61 3bl9 s VAL 52 Ca 0.01 1.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.95 3bl9 s VAL 52 Cb -0.05 -4.64 -0.17 0.00 0.00 0.00 0.00 36.38 31.52 3bl9 s VAL 52 CO -0.03 -1.16 1.31 -0.07 0.00 0.00 0.00 175.10 175.15 3bl9 h LEU 53 N 11.63 0.78 -7.00 3.92 3.38 -0.95 -3.47 115.31 123.61 3bl9 h LEU 53 Ca -0.24 -0.56 0.01 0.00 0.09 0.00 0.00 57.88 57.19 3bl9 h LEU 53 Cb 1.06 -0.23 -0.22 0.00 0.09 0.00 0.00 40.66 41.36 3bl9 h LEU 53 CO 1.16 1.34 0.36 -0.60 0.09 0.00 0.00 178.44 180.79 3bl9 s ARG 54 N -3.56 0.78 -0.02 1.13 3.52 -1.13 -1.71 118.95 117.96 3bl9 s ARG 54 Ca -0.09 0.35 -0.07 0.00 -0.13 0.00 0.00 55.73 55.79 3bl9 s ARG 54 Cb 0.09 0.37 0.01 0.00 -1.56 0.00 0.00 34.95 33.85 3bl9 s ARG 54 CO 0.89 -0.21 0.16 -2.00 -0.81 0.00 0.00 175.30 173.33 3bl9 s GLU 55 N -0.77 0.39 -0.08 5.12 2.12 -1.26 -0.42 118.70 123.80 3bl9 s GLU 55 Ca -0.04 -0.15 -0.02 0.00 0.36 0.00 0.00 54.97 55.12 3bl9 s GLU 55 Cb -0.01 0.17 0.03 0.00 0.26 0.00 0.00 34.13 34.57 3bl9 s GLU 55 CO 0.03 -0.08 0.02 0.45 -0.54 0.00 0.00 175.26 175.14 3bl9 s SER 56 N -0.83 1.61 0.32 -1.70 0.15 -0.20 -5.01 113.70 108.04 3bl9 s SER 56 Ca -0.09 -0.12 0.11 0.00 0.70 0.00 0.00 55.95 56.55 3bl9 s SER 56 Cb -0.05 -0.39 0.52 0.00 -1.71 0.00 0.00 66.02 64.39 3bl9 s SER 56 CO 0.01 -0.22 1.71 0.00 1.20 0.00 0.00 173.24 175.95 3bl9 h ALA 57 N 8.35 1.17 -0.10 5.45 0.00 -1.97 0.91 119.26 133.06 3bl9 h ALA 57 Ca -0.18 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 3bl9 h ALA 57 Cb 1.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3bl9 h ALA 57 CO 0.24 0.62 -0.01 -0.09 0.00 0.00 0.00 179.25 180.02 3bl9 h ARG 58 N 0.02 0.19 0.00 0.00 2.43 -1.97 -3.25 114.38 111.80 3bl9 h ARG 58 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3bl9 h ARG 58 Cb 0.88 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3bl9 h ARG 58 CO 0.07 0.45 -0.42 -0.25 -1.51 0.00 0.00 179.97 178.31 3bl9 n ASP 59 N -4.80 0.53 -3.43 -3.80 9.92 -1.22 -4.98 116.55 108.77 3bl9 n ASP 59 Ca -0.06 0.10 -0.20 0.00 -0.53 0.00 0.00 54.79 54.10 3bl9 n ASP 59 Cb 0.21 -0.01 0.06 0.00 -0.64 0.00 0.00 41.12 40.75 3bl9 n ASP 59 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3bl9 n LYS 60 N -1.82 -3.16 -4.01 -1.24 4.01 0.27 -4.66 118.16 107.55 3bl9 n LYS 60 Ca 0.05 0.75 -0.10 0.00 -0.51 0.00 0.00 58.31 58.49 3bl9 n LYS 60 Cb 0.39 -5.40 -0.11 0.00 -0.51 0.00 0.00 35.03 29.39 3bl9 n LYS 60 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 3bl9 s ILE 61 N -3.44 0.27 -0.03 -0.18 2.07 -0.96 -1.67 121.20 117.26 3bl9 s ILE 61 Ca 0.32 -0.99 -0.03 0.00 -1.41 0.00 0.00 60.65 58.54 3bl9 s ILE 61 Cb -0.06 -0.41 0.01 0.00 0.13 0.00 0.00 42.46 42.13 3bl9 s ILE 61 CO 0.77 -0.47 0.09 -0.51 -1.91 0.00 0.00 174.94 172.92 3bl9 s ILE 62 N -1.47 0.00 -0.21 2.00 2.07 -0.52 -1.03 121.20 122.05 3bl9 s ILE 62 Ca -0.13 -0.01 -0.00 0.00 -1.41 0.00 0.00 60.65 59.09 3bl9 s ILE 62 Cb -0.10 -0.14 0.02 0.00 0.13 0.00 0.00 42.46 42.37 3bl9 s ILE 62 CO -0.01 -0.01 -0.13 -0.36 -1.91 0.00 0.00 174.94 172.53 3bl9 s PHE 63 N 0.02 2.92 -0.07 3.50 0.40 0.44 -1.27 117.98 123.92 3bl9 s PHE 63 Ca -0.00 -1.54 0.03 0.00 -0.60 0.00 0.00 56.93 54.82 3bl9 s PHE 63 Cb -0.01 -1.99 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 3bl9 s PHE 63 CO 0.00 -0.74 -0.15 -0.51 0.70 0.00 0.00 175.22 174.51 3bl9 s LEU 64 N 1.32 2.64 -0.29 -0.37 1.43 0.31 -0.25 118.68 123.48 3bl9 s LEU 64 Ca 0.03 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 3bl9 s LEU 64 Cb -0.15 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3bl9 s LEU 64 CO -0.08 0.29 0.24 -2.28 0.23 0.00 0.00 176.35 174.74 3bl9 s HIS 65 N -0.40 3.23 0.23 0.29 5.65 0.77 -0.92 115.29 124.13 3bl9 s HIS 65 Ca 0.04 0.13 0.10 0.00 0.25 0.00 0.00 55.06 55.58 3bl9 s HIS 65 Cb -0.12 -2.44 -0.05 0.00 -1.18 0.00 0.00 32.58 28.79 3bl9 s HIS 65 CO 0.02 -0.21 -0.18 0.20 -0.65 0.00 0.00 174.74 173.93 3bl9 s GLY 66 N 1.73 1.61 0.01 1.59 0.00 -0.61 -0.35 107.32 111.31 3bl9 s GLY 66 Ca 0.09 -1.71 -0.20 0.00 0.00 0.00 0.00 44.72 42.90 3bl9 s GLY 66 CO 0.11 -1.80 0.56 0.54 0.00 0.00 0.00 173.10 172.52 3bl9 s LYS 67 N -3.39 4.25 0.31 2.90 -0.14 0.93 -1.62 119.74 122.97 3bl9 s LYS 67 Ca 0.24 0.69 0.03 0.00 -1.36 0.00 0.00 55.97 55.57 3bl9 s LYS 67 Cb -0.04 -3.31 -0.06 0.00 -1.68 0.00 0.00 37.83 32.75 3bl9 s LYS 67 CO 0.10 0.47 0.07 0.14 -0.76 0.00 0.00 175.35 175.36 3bl9 s VAL 68 N -0.50 1.06 -1.57 3.17 -7.23 0.14 -0.64 120.40 114.84 3bl9 s VAL 68 Ca 0.29 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.28 3bl9 s VAL 68 Cb -0.18 -2.76 0.17 0.00 0.56 0.00 0.00 36.38 34.16 3bl9 s VAL 68 CO 0.17 0.00 0.59 0.59 -0.31 0.00 0.00 175.10 176.14 3bl9 n ASN 69 N -0.65 -2.47 -4.47 4.85 3.02 0.45 -2.24 115.26 113.75 3bl9 n ASN 69 Ca -0.02 -0.90 -0.42 0.00 -0.03 0.00 0.00 54.58 53.21 3bl9 n ASN 69 Cb 0.67 -2.09 -0.10 0.00 -0.61 0.00 0.00 39.78 37.64 3bl9 n ASN 69 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3bl9 s GLU 70 N -6.78 3.07 0.00 3.52 -1.05 -1.26 -5.04 118.70 111.16 3bl9 s GLU 70 Ca 0.68 -0.95 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 3bl9 s GLU 70 Cb -0.38 -3.92 0.00 0.00 -0.44 0.00 0.00 34.13 29.39 3bl9 s GLU 70 CO 0.83 -0.68 0.00 0.39 0.95 0.00 0.00 175.26 176.75 3bl9 n GLU 78 N 5.13 0.00 -3.60 -4.83 1.02 -0.95 -5.22 120.64 112.19 3bl9 n GLU 78 Ca -0.11 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.66 3bl9 n GLU 78 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.84 3bl9 n GLU 78 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3bl9 s ASP 79 N -0.41 6.66 0.03 1.62 1.01 -1.26 -0.68 116.67 123.63 3bl9 s ASP 79 Ca 0.00 0.80 0.01 0.00 0.71 0.00 0.00 52.55 54.07 3bl9 s ASP 79 Cb 0.00 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 3bl9 s ASP 79 CO 0.00 0.26 -0.05 0.00 0.21 0.00 0.00 175.17 175.59 3bl9 s ALA 80 N -1.23 0.35 -0.11 5.23 0.00 -0.64 -0.73 121.76 124.62 3bl9 s ALA 80 Ca 0.27 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 3bl9 s ALA 80 Cb -0.15 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 3bl9 s ALA 80 CO 0.15 -0.07 -0.06 0.08 0.00 0.00 0.00 175.76 175.85 3bl9 s VAL 81 N -1.29 3.72 -0.11 0.00 1.01 -0.23 -1.57 120.40 121.93 3bl9 s VAL 81 Ca -0.12 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3bl9 s VAL 81 Cb -0.09 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.72 3bl9 s VAL 81 CO -0.00 0.54 -0.18 -0.69 0.00 0.00 0.00 175.10 174.77 3bl9 s VAL 82 N -0.16 1.70 -0.15 2.92 1.01 -0.09 -0.62 120.40 125.00 3bl9 s VAL 82 Ca 0.02 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.23 3bl9 s VAL 82 Cb -0.13 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.73 3bl9 s VAL 82 CO 0.03 0.48 -0.16 -0.63 0.00 0.00 0.00 175.10 174.81 3bl9 s ILE 83 N 0.79 2.55 -0.12 2.22 1.01 0.82 -0.53 121.20 127.95 3bl9 s ILE 83 Ca -0.10 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.77 3bl9 s ILE 83 Cb -0.16 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.25 3bl9 s ILE 83 CO 0.01 0.52 -0.21 -0.76 0.00 0.00 0.00 174.94 174.50 3bl9 s LEU 84 N 0.82 2.24 -0.07 2.97 1.02 -0.40 -0.54 118.68 124.73 3bl9 s LEU 84 Ca -0.05 -0.53 0.02 0.00 0.02 0.00 0.00 54.13 53.59 3bl9 s LEU 84 Cb -0.15 -1.47 0.02 0.00 0.02 0.00 0.00 46.19 44.60 3bl9 s LEU 84 CO -0.01 0.13 -0.10 -0.70 0.02 0.00 0.00 176.35 175.69 3bl9 s GLU 85 N 0.54 1.53 0.56 1.70 2.12 0.12 -1.43 118.70 123.84 3bl9 s GLU 85 Ca -0.13 -0.34 -0.20 0.00 0.36 0.00 0.00 54.97 54.66 3bl9 s GLU 85 Cb -0.17 -1.32 -0.04 0.00 0.26 0.00 0.00 34.13 32.86 3bl9 s GLU 85 CO 0.04 -0.02 1.25 0.15 -0.54 0.00 0.00 175.26 176.14 3bl9 s LYS 86 N 0.81 3.14 0.33 4.30 -0.14 -0.67 -0.73 119.74 126.78 3bl9 s LYS 86 Ca -0.12 1.96 0.02 0.00 -1.36 0.00 0.00 55.97 56.47 3bl9 s LYS 86 Cb -0.15 -2.11 -0.03 0.00 -1.68 0.00 0.00 37.83 33.86 3bl9 s LYS 86 CO 0.02 -1.11 0.51 0.95 -0.76 0.00 0.00 175.35 174.96 3bl9 s THR 87 N -1.48 5.03 0.73 2.17 -4.23 -1.24 -4.80 115.64 111.82 3bl9 s THR 87 Ca 0.73 -0.60 -0.14 0.00 -1.18 0.00 0.00 61.69 60.50 3bl9 s THR 87 Cb -0.34 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 69.72 3bl9 s THR 87 CO 0.38 -0.48 1.17 -2.84 -0.54 0.00 0.00 174.62 172.31 3bl9 s PRO 88 N -4.26 2.25 0.48 3.99 0.02 -1.26 -4.98 135.00 131.25 3bl9 s PRO 88 Ca 0.39 1.60 -0.23 0.00 0.02 0.00 0.00 61.00 62.79 3bl9 s PRO 88 Cb -0.09 -1.86 -0.07 0.00 0.02 0.00 0.00 34.50 32.49 3bl9 s PRO 88 CO 0.34 -1.71 1.22 -0.06 -0.33 0.00 0.00 177.00 176.46 3bl9 s PHE 89 N -2.19 2.72 -0.65 6.54 0.40 -1.26 -5.00 117.98 118.53 3bl9 s PHE 89 Ca 0.71 1.49 -0.16 0.00 -0.60 0.00 0.00 56.93 58.37 3bl9 s PHE 89 Cb -0.25 -3.50 0.15 0.00 0.51 0.00 0.00 43.02 39.93 3bl9 s PHE 89 CO 0.46 -1.89 0.64 -0.65 0.70 0.00 0.00 175.22 174.48 3bl9 s GLN 90 N -2.74 3.20 0.07 0.44 -1.52 -1.26 -4.99 119.66 112.86 3bl9 s GLN 90 Ca 0.65 -1.86 -0.31 0.00 -1.95 0.00 0.00 55.36 51.90 3bl9 s GLN 90 Cb -0.32 -4.36 -0.18 0.00 -0.22 0.00 0.00 33.01 27.93 3bl9 s GLN 90 CO 0.38 -1.38 1.60 0.28 -0.25 0.00 0.00 175.29 175.92 3bl9 h VAL 91 N 5.58 0.42 -0.79 1.09 2.07 -1.99 0.56 116.25 123.18 3bl9 h VAL 91 Ca -0.16 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3bl9 h VAL 91 Cb 1.08 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3bl9 h VAL 91 CO 0.97 0.01 0.50 -0.33 0.02 0.00 0.00 177.57 178.74 3bl9 h GLU 92 N -0.81 1.06 -0.36 1.57 4.39 -1.99 -0.48 114.58 117.95 3bl9 h GLU 92 Ca -0.08 -0.08 -0.13 0.00 0.34 0.00 0.00 59.36 59.41 3bl9 h GLU 92 Cb 0.61 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3bl9 h GLU 92 CO 0.13 0.72 -0.30 1.96 -1.16 0.00 0.00 179.01 180.37 3bl9 h GLN 93 N 1.08 0.76 -0.24 2.33 4.20 -1.92 -1.00 115.11 120.32 3bl9 h GLN 93 Ca 0.29 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3bl9 h GLN 93 Cb -0.09 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3bl9 h GLN 93 CO -0.06 0.96 0.15 0.28 -0.67 0.00 0.00 178.83 179.49 3bl9 h VAL 94 N 0.65 1.08 -0.79 -0.54 2.07 -0.06 -1.12 116.25 117.54 3bl9 h VAL 94 Ca 0.08 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3bl9 h VAL 94 Cb 0.82 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3bl9 h VAL 94 CO 0.07 0.08 0.52 0.00 0.02 0.00 0.00 177.57 178.26 3bl9 h ALA 95 N 1.06 1.00 -0.69 1.67 0.00 -0.97 -0.02 119.26 121.31 3bl9 h ALA 95 Ca 0.09 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3bl9 h ALA 95 Cb -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.41 3bl9 h ALA 95 CO -0.02 0.41 0.38 0.37 0.00 0.00 0.00 179.25 180.39 3bl9 h GLN 96 N 1.07 0.66 -0.28 0.00 4.15 -0.96 -2.54 115.11 117.20 3bl9 h GLN 96 Ca 0.29 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 3bl9 h GLN 96 Cb -0.12 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.41 3bl9 h GLN 96 CO -0.07 0.43 0.12 1.25 -1.93 0.00 0.00 178.83 178.64 3bl9 h LEU 97 N 0.68 0.37 -1.70 -2.39 5.85 -0.24 -3.17 115.31 114.71 3bl9 h LEU 97 Ca 0.32 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3bl9 h LEU 97 Cb 0.24 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3bl9 h LEU 97 CO -0.21 0.41 0.09 -0.07 -0.34 0.00 0.00 178.44 178.32 3bl9 h LEU 98 N 0.30 0.25 -0.60 2.25 3.38 -0.73 -2.00 115.31 118.16 3bl9 h LEU 98 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3bl9 h LEU 98 Cb 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3bl9 h LEU 98 CO -0.01 0.23 0.00 1.07 0.09 0.00 0.00 178.44 179.82 3bl9 n THR 99 N -4.46 0.13 0.00 0.22 5.66 -0.99 -4.80 114.28 110.05 3bl9 n THR 99 Ca 0.00 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 3bl9 n THR 99 Cb 0.11 0.07 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 3bl9 n THR 99 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3bl9 n GLY 100 N 0.94 1.46 2.74 1.09 0.00 -0.75 -5.05 105.19 105.63 3bl9 n GLY 100 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3bl9 n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3bl9 n SER 101 N 0.00 3.73 -4.75 1.61 7.64 -1.25 -5.10 113.62 115.49 3bl9 n SER 101 Ca 0.00 -3.53 -0.38 0.00 1.01 0.00 0.00 58.87 55.97 3bl9 n SER 101 Cb 0.00 -0.58 0.03 0.00 -1.01 0.00 0.00 64.21 62.65 3bl9 n SER 101 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3bl9 s PRO 102 N -3.14 3.27 -0.49 1.43 0.04 -1.25 -4.92 135.00 129.94 3bl9 s PRO 102 Ca 0.46 2.11 -0.27 0.00 0.04 0.00 0.00 61.00 63.34 3bl9 s PRO 102 Cb 0.27 -2.28 0.03 0.00 0.04 0.00 0.00 34.50 32.57 3bl9 s PRO 102 CO -0.12 -1.05 1.04 -2.00 0.04 0.00 0.00 177.00 174.91 3bl9 s GLU 103 N -2.88 3.59 0.08 4.56 2.12 -1.26 -5.01 118.70 119.89 3bl9 s GLU 103 Ca 0.70 0.29 0.08 0.00 0.36 0.00 0.00 54.97 56.40 3bl9 s GLU 103 Cb -0.37 -3.94 -0.03 0.00 0.26 0.00 0.00 34.13 30.05 3bl9 s GLU 103 CO 0.44 -1.36 -0.22 -0.51 -0.54 0.00 0.00 175.26 173.08 3bl9 s LEU 104 N 4.17 2.24 -0.08 2.70 1.43 -1.26 -0.90 118.68 126.97 3bl9 s LEU 104 Ca 0.41 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3bl9 s LEU 104 Cb -0.09 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 45.15 3bl9 s LEU 104 CO 0.28 0.13 -0.13 -1.10 0.23 0.00 0.00 176.35 175.76 3bl9 s GLN 105 N -1.57 1.84 -0.21 1.70 -0.21 -0.25 -4.96 119.66 116.00 3bl9 s GLN 105 Ca 0.08 -0.44 -0.29 0.00 0.02 0.00 0.00 55.36 54.73 3bl9 s GLN 105 Cb -0.10 -1.57 0.00 0.00 1.00 0.00 0.00 33.01 32.34 3bl9 s GLN 105 CO 0.03 -0.03 1.14 -1.17 -2.12 0.00 0.00 175.29 173.14 3bl9 s LEU 106 N 0.88 4.11 -0.18 2.90 2.96 -1.26 -0.19 118.68 127.90 3bl9 s LEU 106 Ca -0.10 1.47 -0.18 0.00 -0.22 0.00 0.00 54.13 55.10 3bl9 s LEU 106 Cb -0.15 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.78 3bl9 s LEU 106 CO 0.01 -0.74 0.28 -0.61 -1.32 0.00 0.00 176.35 173.97 3bl9 h GLN 107 N 7.88 0.08 -2.98 1.98 5.75 -1.13 -3.48 115.11 123.20 3bl9 h GLN 107 Ca -0.22 -0.13 0.02 0.00 -0.15 0.00 0.00 58.65 58.17 3bl9 h GLN 107 Cb 1.08 0.05 -0.09 0.00 1.07 0.00 0.00 27.48 29.59 3bl9 h GLN 107 CO 0.98 1.06 0.23 -0.59 -2.65 0.00 0.00 178.83 177.86 3bl9 s PHE 108 N -2.41 -0.39 -0.13 3.99 -0.12 -1.07 -5.01 117.98 112.85 3bl9 s PHE 108 Ca -0.27 0.07 -0.13 0.00 -0.05 0.00 0.00 56.93 56.56 3bl9 s PHE 108 Cb 0.06 0.62 0.03 0.00 -0.63 0.00 0.00 43.02 43.10 3bl9 s PHE 108 CO 0.65 -1.00 0.36 0.45 -0.05 0.00 0.00 175.22 175.62 3bl9 s SER 109 N -2.82 -0.37 -0.29 1.98 0.15 -1.26 -0.54 113.70 110.56 3bl9 s SER 109 Ca 0.05 0.68 0.02 0.00 0.70 0.00 0.00 55.95 57.41 3bl9 s SER 109 Cb -0.03 0.71 0.18 0.00 -1.71 0.00 0.00 66.02 65.17 3bl9 s SER 109 CO -0.04 -0.16 0.52 0.54 1.20 0.00 0.00 173.24 175.30 3bl9 s ASN 110 N 0.06 -0.81 0.46 5.45 4.22 0.85 -5.00 114.94 120.17 3bl9 s ASN 110 Ca -0.01 0.22 0.00 0.00 -2.14 0.00 0.00 52.86 50.93 3bl9 s ASN 110 Cb -0.03 1.71 0.00 0.00 1.28 0.00 0.00 41.25 44.21 3bl9 s ASN 110 CO 0.01 -0.30 0.00 -0.67 -2.04 0.00 0.00 177.10 174.10 3bl9 n ASP 111 N 5.40 0.00 0.03 3.54 -0.08 -1.26 -1.58 116.55 122.60 3bl9 n ASP 111 Ca 0.01 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.42 3bl9 n ASP 111 Cb 0.52 0.00 0.53 0.00 2.34 0.00 0.00 41.12 44.50 3bl9 n ASP 111 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3bl9 n ILE 112 N 0.00 0.31 -3.96 5.18 -5.35 -1.26 -4.75 119.36 109.53 3bl9 n ILE 112 Ca 0.00 -0.01 -0.35 0.00 -0.27 0.00 0.00 62.75 62.13 3bl9 n ILE 112 Cb 0.00 -0.62 -0.09 0.00 -1.74 0.00 0.00 39.64 37.18 3bl9 n ILE 112 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3bl9 s TYR 113 N -3.04 3.27 0.01 4.28 1.51 -0.61 -5.11 117.35 117.67 3bl9 s TYR 113 Ca 0.12 0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 56.26 3bl9 s TYR 113 Cb 0.16 -2.09 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 3bl9 s TYR 113 CO 0.50 0.17 0.03 -1.54 -1.11 0.00 0.00 175.55 173.60 3bl9 s SER 114 N 0.37 0.14 -0.05 2.29 1.04 -1.26 -0.10 113.70 116.13 3bl9 s SER 114 Ca 0.04 -0.34 0.06 0.00 0.48 0.00 0.00 55.95 56.19 3bl9 s SER 114 Cb -0.12 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.12 3bl9 s SER 114 CO -0.00 -0.29 -0.25 -0.89 0.98 0.00 0.00 173.24 172.79 3bl9 s THR 115 N -1.27 1.99 0.24 2.02 2.01 0.30 -5.00 115.64 115.94 3bl9 s THR 115 Ca -0.14 -1.04 0.04 0.00 0.31 0.00 0.00 61.69 60.86 3bl9 s THR 115 Cb -0.08 -1.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.69 3bl9 s THR 115 CO -0.00 0.56 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.17 3bl9 s TYR 116 N -0.25 1.63 -0.24 4.92 1.51 -1.26 -0.53 117.35 123.14 3bl9 s TYR 116 Ca -0.01 -0.89 -0.10 0.00 -1.01 0.00 0.00 57.07 55.06 3bl9 s TYR 116 Cb -0.13 -0.95 -0.05 0.00 -0.11 0.00 0.00 41.96 40.73 3bl9 s TYR 116 CO 0.03 0.00 0.15 -1.01 -1.11 0.00 0.00 175.55 173.61 3bl9 s HIS 117 N -3.36 3.30 -0.13 2.71 3.76 0.73 -4.84 115.29 117.46 3bl9 s HIS 117 Ca 0.29 0.18 -0.02 0.00 -0.15 0.00 0.00 55.06 55.35 3bl9 s HIS 117 Cb 0.06 -2.25 -0.03 0.00 1.11 0.00 0.00 32.58 31.46 3bl9 s HIS 117 CO 0.09 0.05 -0.04 -1.17 -0.85 0.00 0.00 174.74 172.82 3bl9 s LEU 118 N 1.04 3.25 -0.49 0.89 2.96 -1.26 -1.09 118.68 123.98 3bl9 s LEU 118 Ca 0.07 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3bl9 s LEU 118 Cb -0.14 -1.76 0.13 0.00 0.50 0.00 0.00 46.19 44.92 3bl9 s LEU 118 CO 0.04 0.23 0.25 -0.36 -1.32 0.00 0.00 176.35 175.19 3bl9 s PHE 119 N -0.01 3.45 0.89 5.38 0.40 -0.08 -5.03 117.98 122.98 3bl9 s PHE 119 Ca 0.01 -2.88 -0.12 0.00 -0.60 0.00 0.00 56.93 53.34 3bl9 s PHE 119 Cb -0.13 -3.02 0.12 0.00 0.51 0.00 0.00 43.02 40.50 3bl9 s PHE 119 CO 0.03 -0.86 1.10 -2.14 0.70 0.00 0.00 175.22 174.05 3bl9 s PRO 120 N 0.29 1.32 0.68 0.24 0.02 -1.26 -4.31 135.00 131.98 3bl9 s PRO 120 Ca 0.14 0.64 -0.15 0.00 0.02 0.00 0.00 61.00 61.65 3bl9 s PRO 120 Cb -0.22 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.48 3bl9 s PRO 120 CO -0.03 -2.15 1.13 -1.25 -0.33 0.00 0.00 177.00 174.37 3bl9 s PRO 121 N -5.05 2.65 0.31 5.54 0.04 -1.26 -4.88 135.00 132.35 3bl9 s PRO 121 Ca 0.63 1.46 0.05 0.00 0.04 0.00 0.00 61.00 63.18 3bl9 s PRO 121 Cb -0.17 -1.93 0.83 0.00 0.04 0.00 0.00 34.50 33.28 3bl9 s PRO 121 CO 0.56 -1.38 1.59 -0.09 0.04 0.00 0.00 177.00 177.71 3bl9 h ARG 122 N -0.06 0.04 0.00 4.56 2.43 -2.00 0.28 114.38 119.63 3bl9 h ARG 122 Ca -0.47 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3bl9 h ARG 122 Cb 1.26 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3bl9 h ARG 122 CO 0.53 0.03 0.00 0.00 -1.51 0.00 0.00 179.97 179.02 3bl9 n GLN 123 N -5.40 0.11 -0.17 0.20 0.00 -1.26 -1.84 117.38 109.02 3bl9 n GLN 123 Ca 0.25 0.47 0.10 0.00 0.00 0.00 0.00 57.00 57.82 3bl9 n GLN 123 Cb 0.82 -1.77 0.18 0.00 0.00 0.00 0.00 30.24 29.47 3bl9 n GLN 123 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3bl9 n LEU 124 N -1.99 3.19 -0.89 2.61 4.77 0.09 -4.54 117.00 120.24 3bl9 n LEU 124 Ca 0.01 -1.53 0.08 0.00 -0.03 0.00 0.00 56.01 54.54 3bl9 n LEU 124 Cb 0.12 -0.22 0.21 0.00 -2.33 0.00 0.00 43.42 41.20 3bl9 n LEU 124 CO 0.12 0.70 0.68 0.59 -1.33 0.00 0.00 177.39 178.15 3bl9 n ASN 125 N 1.22 3.29 -4.60 -1.43 3.02 -0.77 -5.00 115.26 111.00 3bl9 n ASN 125 Ca 0.16 -2.01 -0.50 0.00 -0.03 0.00 0.00 54.58 52.21 3bl9 n ASN 125 Cb 0.53 -0.32 -0.05 0.00 -0.61 0.00 0.00 39.78 39.33 3bl9 n ASN 125 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3bl9 n ASP 126 N 0.89 1.71 -4.19 6.41 2.03 -1.26 -4.97 116.55 117.16 3bl9 n ASP 126 Ca 0.16 1.13 -0.34 0.00 0.52 0.00 0.00 54.79 56.26 3bl9 n ASP 126 Cb 0.50 -1.23 -0.15 0.00 -0.72 0.00 0.00 41.12 39.51 3bl9 n ASP 126 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3bl9 s VAL 127 N 0.23 2.52 -0.14 5.18 1.01 -1.26 -3.59 120.40 124.34 3bl9 s VAL 127 Ca 0.79 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 3bl9 s VAL 127 Cb -0.88 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 3bl9 s VAL 127 CO 0.48 0.50 1.42 -0.75 0.00 0.00 0.00 175.10 176.75 3bl9 s LYS 128 N 1.31 4.17 -0.17 2.72 2.20 0.09 -4.84 119.74 125.22 3bl9 s LYS 128 Ca 0.04 1.81 0.01 0.00 -0.36 0.00 0.00 55.97 57.47 3bl9 s LYS 128 Cb -0.14 -3.86 0.01 0.00 -1.51 0.00 0.00 37.83 32.33 3bl9 s LYS 128 CO -0.09 -0.82 -0.18 0.99 -0.36 0.00 0.00 175.35 174.89 3bl9 s THR 129 N 3.84 2.29 -0.07 3.43 2.01 -1.26 -0.70 115.64 125.18 3bl9 s THR 129 Ca 0.62 -0.88 0.05 0.00 0.31 0.00 0.00 61.69 61.79 3bl9 s THR 129 Cb -0.25 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 3bl9 s THR 129 CO 0.21 0.53 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.54 3bl9 s THR 130 N 1.08 2.12 -0.10 -0.82 2.01 0.30 -4.97 115.64 115.27 3bl9 s THR 130 Ca -0.00 -1.03 0.04 0.00 0.31 0.00 0.00 61.69 61.01 3bl9 s THR 130 Cb -0.14 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.58 3bl9 s THR 130 CO -0.07 0.57 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.50 3bl9 s VAL 131 N 0.01 2.05 -0.33 3.82 1.01 -1.26 -0.12 120.40 125.57 3bl9 s VAL 131 Ca -0.09 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 3bl9 s VAL 131 Cb -0.15 -1.77 0.05 0.00 0.00 0.00 0.00 36.38 34.51 3bl9 s VAL 131 CO 0.05 0.56 0.08 -0.69 0.00 0.00 0.00 175.10 175.10 3bl9 s VAL 132 N 0.35 3.45 -0.23 2.92 1.01 0.21 -4.99 120.40 123.13 3bl9 s VAL 132 Ca -0.19 -1.31 -0.14 0.00 0.00 0.00 0.00 61.98 60.35 3bl9 s VAL 132 Cb -0.18 -3.00 0.07 0.00 0.00 0.00 0.00 36.38 33.27 3bl9 s VAL 132 CO 0.09 -0.20 0.56 -0.47 0.00 0.00 0.00 175.10 175.08 3bl9 s TYR 133 N 1.33 -0.81 0.35 5.22 5.04 -1.26 -1.06 117.35 126.15 3bl9 s TYR 133 Ca -0.02 1.71 -0.27 0.00 -2.44 0.00 0.00 57.07 56.04 3bl9 s TYR 133 Cb -0.20 0.42 -0.09 0.00 0.35 0.00 0.00 41.96 42.44 3bl9 s TYR 133 CO 0.01 -0.42 1.19 -2.14 -1.34 0.00 0.00 175.55 172.85 3bl9 s PRO 134 N 1.31 4.28 -0.14 4.97 0.02 -1.26 -5.12 135.00 139.06 3bl9 s PRO 134 Ca -0.08 1.94 -0.16 0.00 0.02 0.00 0.00 61.00 62.71 3bl9 s PRO 134 Cb -0.06 -2.91 -0.04 0.00 0.02 0.00 0.00 34.50 31.51 3bl9 s PRO 134 CO -0.14 -0.15 0.40 0.00 -0.33 0.00 0.00 177.00 176.78 3bl9 s ALA 135 N -1.28 3.52 0.81 -1.55 0.00 0.09 -5.00 121.76 118.36 3bl9 s ALA 135 Ca 0.52 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 3bl9 s ALA 135 Cb -0.33 -2.54 0.11 0.00 0.00 0.00 0.00 23.12 20.36 3bl9 s ALA 135 CO 0.43 0.04 1.16 0.95 0.00 0.00 0.00 175.76 178.33 3bl9 s THR 136 N 0.57 2.09 0.37 0.00 -4.23 -1.26 -4.55 115.64 108.62 3bl9 s THR 136 Ca 0.22 -0.12 0.05 0.00 -1.18 0.00 0.00 61.69 60.65 3bl9 s THR 136 Cb -0.14 -2.97 0.23 0.00 1.34 0.00 0.00 72.50 70.96 3bl9 s THR 136 CO 0.07 0.00 1.99 -0.08 -0.54 0.00 0.00 174.62 176.06 3bl9 h GLU 137 N -1.04 0.63 -0.96 3.99 4.57 -1.99 -2.01 114.58 117.77 3bl9 h GLU 137 Ca -0.44 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 57.75 3bl9 h GLU 137 Cb 1.30 -0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 29.69 3bl9 h GLU 137 CO 0.55 0.48 0.61 0.87 -1.18 0.00 0.00 179.01 180.34 3bl9 h LYS 138 N 0.64 1.04 -0.26 1.92 1.57 -1.99 -1.19 116.57 118.29 3bl9 h LYS 138 Ca 0.16 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3bl9 h LYS 138 Cb 0.04 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3bl9 h LYS 138 CO -0.02 0.69 -0.01 0.45 -0.57 0.00 0.00 179.45 179.99 3bl9 h HIS 139 N 1.08 0.52 -0.67 -1.35 3.86 -1.74 -0.70 115.15 116.14 3bl9 h HIS 139 Ca 0.43 -0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.56 3bl9 h HIS 139 Cb 0.24 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.54 3bl9 h HIS 139 CO -0.01 0.63 0.44 -0.07 0.86 0.00 0.00 177.93 179.78 3bl9 h LEU 140 N 0.25 0.74 -0.43 2.43 3.38 -1.10 -2.50 115.31 118.08 3bl9 h LEU 140 Ca 0.07 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 3bl9 h LEU 140 Cb 0.43 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3bl9 h LEU 140 CO 0.02 0.53 -0.72 1.56 0.09 0.00 0.00 178.44 179.92 3bl9 h GLN 141 N 0.88 0.37 -0.78 1.13 1.08 -1.17 -3.10 115.11 113.52 3bl9 h GLN 141 Ca 0.25 -0.30 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 3bl9 h GLN 141 Cb -0.07 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 3bl9 h GLN 141 CO -0.07 0.94 0.43 -0.22 -0.95 0.00 0.00 178.83 178.96 3bl9 h LYS 142 N 0.25 1.10 0.00 1.46 3.64 -0.83 -2.91 116.57 119.28 3bl9 h LYS 142 Ca -0.03 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3bl9 h LYS 142 Cb 1.29 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3bl9 h LYS 142 CO 0.12 0.81 -0.46 0.66 -2.27 0.00 0.00 179.45 178.31 3bl9 n TYR 143 N -4.42 0.03 -1.85 1.91 4.02 -0.97 -4.87 117.16 111.01 3bl9 n TYR 143 Ca 0.07 0.01 -0.42 0.00 -0.01 0.00 0.00 57.90 57.55 3bl9 n TYR 143 Cb 0.10 -0.30 -0.03 0.00 -0.02 0.00 0.00 39.34 39.09 3bl9 n TYR 143 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3bl9 s LEU 144 N -3.07 4.37 0.32 7.72 2.96 -1.10 -4.16 118.68 125.72 3bl9 s LEU 144 Ca 0.11 2.77 -0.29 0.00 -0.22 0.00 0.00 54.13 56.50 3bl9 s LEU 144 Cb 0.17 -3.61 -0.12 0.00 0.50 0.00 0.00 46.19 43.13 3bl9 s LEU 144 CO 0.68 -0.87 1.36 -1.14 -1.32 0.00 0.00 176.35 175.06 3bl9 n ARG 145 N 3.45 2.19 -3.61 1.98 3.00 -0.69 -4.98 116.66 118.00 3bl9 n ARG 145 Ca 0.13 0.77 -0.16 0.00 -0.00 0.00 0.00 57.85 58.59 3bl9 n ARG 145 Cb 0.37 -2.40 -0.07 0.00 0.00 0.00 0.00 32.46 30.37 3bl9 n ARG 145 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 3bl9 s GLN 146 N -1.42 0.89 0.20 -0.14 2.00 -1.26 -5.07 119.66 114.85 3bl9 s GLN 146 Ca 0.59 0.36 -0.30 0.00 -2.00 0.00 0.00 55.36 54.01 3bl9 s GLN 146 Cb -0.58 0.42 -0.08 0.00 0.80 0.00 0.00 33.01 33.57 3bl9 s GLN 146 CO 0.58 -0.23 1.07 -0.51 -0.50 0.00 0.00 175.29 175.70 3bl9 s ASP 147 N -0.75 7.33 0.00 6.67 1.01 -1.26 -4.88 116.67 124.80 3bl9 s ASP 147 Ca -0.08 2.09 -0.01 0.00 0.71 0.00 0.00 52.55 55.26 3bl9 s ASP 147 Cb -0.02 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 3bl9 s ASP 147 CO 0.06 -0.14 0.14 -0.76 0.21 0.00 0.00 175.17 174.68 3bl9 s LEU 148 N -0.69 4.17 0.02 1.23 1.43 -1.26 0.30 118.68 123.89 3bl9 s LEU 148 Ca 0.47 0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.87 3bl9 s LEU 148 Cb -0.29 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.40 3bl9 s LEU 148 CO 0.36 0.25 -0.14 -0.13 0.23 0.00 0.00 176.35 176.92 3bl9 s ARG 149 N -1.94 0.99 0.42 1.70 1.81 0.42 -4.91 118.95 117.44 3bl9 s ARG 149 Ca 0.26 -0.68 -0.19 0.00 -1.72 0.00 0.00 55.73 53.40 3bl9 s ARG 149 Cb -0.12 -0.99 -0.10 0.00 -0.45 0.00 0.00 34.95 33.29 3bl9 s ARG 149 CO 0.18 0.25 0.91 -0.51 -0.68 0.00 0.00 175.30 175.45 3bl9 s LEU 150 N -0.90 3.92 -0.01 2.53 1.43 -1.26 -0.28 118.68 124.12 3bl9 s LEU 150 Ca 0.03 1.58 -0.04 0.00 -1.03 0.00 0.00 54.13 54.66 3bl9 s LEU 150 Cb -0.07 -4.43 -0.00 0.00 0.03 0.00 0.00 46.19 41.72 3bl9 s LEU 150 CO 0.01 -0.36 0.09 -0.51 0.23 0.00 0.00 176.35 175.80 3bl9 s ILE 151 N -2.20 0.06 -0.35 -0.59 1.10 0.33 -4.93 121.20 114.63 3bl9 s ILE 151 Ca 0.60 -0.52 -0.04 0.00 -0.51 0.00 0.00 60.65 60.18 3bl9 s ILE 151 Cb -0.09 -0.30 0.07 0.00 0.15 0.00 0.00 42.46 42.29 3bl9 s ILE 151 CO 0.17 -0.29 0.10 -0.13 -2.11 0.00 0.00 174.94 172.68 3bl9 s ARG 152 N -0.94 2.34 -0.42 3.50 0.52 -1.26 -1.80 118.95 120.89 3bl9 s ARG 152 Ca -0.10 -1.44 -0.19 0.00 -0.52 0.00 0.00 55.73 53.47 3bl9 s ARG 152 Cb -0.06 -3.41 0.02 0.00 0.52 0.00 0.00 34.95 32.02 3bl9 s ARG 152 CO 0.00 -0.80 0.57 -2.00 0.02 0.00 0.00 175.30 173.09 3bl9 s GLU 153 N 1.26 3.29 0.93 3.54 2.12 0.19 -4.91 118.70 125.11 3bl9 s GLU 153 Ca 0.00 -0.44 -0.12 0.00 0.36 0.00 0.00 54.97 54.78 3bl9 s GLU 153 Cb -0.21 -3.93 0.15 0.00 0.26 0.00 0.00 34.13 30.40 3bl9 s GLU 153 CO -0.01 -0.90 1.09 0.95 -0.54 0.00 0.00 175.26 175.85 3bl9 s THR 154 N 2.56 2.50 0.33 -1.70 -4.23 -1.26 -1.27 115.64 112.57 3bl9 s THR 154 Ca 0.19 0.16 0.03 0.00 -1.18 0.00 0.00 61.69 60.89 3bl9 s THR 154 Cb -0.15 -2.64 0.29 0.00 1.34 0.00 0.00 72.50 71.34 3bl9 s THR 154 CO 0.17 -0.21 1.93 1.23 -0.54 0.00 0.00 174.62 177.20 3bl9 h GLY 155 N -1.65 1.16 1.33 3.99 0.00 -1.69 -1.49 103.07 104.71 3bl9 h GLY 155 Ca -0.51 -0.36 -0.22 0.00 0.00 0.00 0.00 47.33 46.24 3bl9 h GLY 155 CO 0.55 0.27 -0.83 -0.55 0.00 0.00 0.00 176.54 175.97 3bl9 h ASP 156 N 0.90 0.78 -0.67 0.19 5.19 -1.88 -2.56 116.42 118.37 3bl9 h ASP 156 Ca 0.36 -0.54 0.09 0.00 -0.62 0.00 0.00 57.03 56.31 3bl9 h ASP 156 Cb 0.23 -0.23 -0.07 0.00 0.18 0.00 0.00 39.33 39.44 3bl9 h ASP 156 CO -0.13 1.33 0.31 0.44 -3.12 0.00 0.00 179.24 178.08 3bl9 h ASP 157 N 0.41 0.39 0.46 6.45 3.32 -1.81 -0.37 116.42 125.27 3bl9 h ASP 157 Ca -0.06 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3bl9 h ASP 157 Cb 1.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.01 3bl9 h ASP 157 CO 0.16 0.23 -0.22 0.22 -1.72 0.00 0.00 179.24 177.91 3bl9 h TYR 158 N 0.54 -0.57 -0.98 4.55 3.20 -1.16 0.29 116.97 122.85 3bl9 h TYR 158 Ca 0.33 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.21 3bl9 h TYR 158 Cb 0.36 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.77 3bl9 h TYR 158 CO -0.12 -0.30 0.64 0.00 -1.64 0.00 0.00 178.16 176.74 3bl9 h ARG 159 N -0.73 1.25 0.00 1.82 3.08 -1.33 0.20 114.38 118.67 3bl9 h ARG 159 Ca -0.06 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.81 3bl9 h ARG 159 Cb 0.53 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3bl9 h ARG 159 CO 0.10 0.82 -1.92 0.09 -1.07 0.00 0.00 179.97 177.99 3bl9 n ASN 160 N -4.41 0.18 0.02 7.04 3.02 -0.16 -4.40 115.26 116.55 3bl9 n ASN 160 Ca 0.12 0.07 -0.01 0.00 -0.03 0.00 0.00 54.58 54.73 3bl9 n ASN 160 Cb 0.05 1.42 -0.00 0.00 -0.61 0.00 0.00 39.78 40.63 3bl9 n ASN 160 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3bl9 n ILE 161 N -2.48 0.99 0.01 2.41 5.41 0.95 -4.73 119.36 121.92 3bl9 n ILE 161 Ca -0.11 0.28 -0.13 0.00 1.00 0.00 0.00 62.75 63.79 3bl9 n ILE 161 Cb 0.73 -1.63 -0.09 0.00 -0.71 0.00 0.00 39.64 37.94 3bl9 n ILE 161 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3bl9 h THR 162 N -0.09 1.25 0.04 1.39 2.02 -1.07 -2.66 112.91 113.80 3bl9 h THR 162 Ca -0.02 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 3bl9 h THR 162 Cb 0.33 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 3bl9 h THR 162 CO -0.01 0.25 -0.02 0.25 0.37 0.00 0.00 175.52 176.36 3bl9 h LEU 163 N -0.50 -0.05 -1.28 2.58 5.85 -0.85 0.16 115.31 121.23 3bl9 h LEU 163 Ca -0.01 -0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.89 3bl9 h LEU 163 Cb 0.45 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 3bl9 h LEU 163 CO 0.01 -0.03 0.60 -0.65 -0.34 0.00 0.00 178.44 178.04 3bl9 h PRO 164 N -0.07 0.59 -0.27 5.25 0.11 -1.77 0.27 132.00 136.11 3bl9 h PRO 164 Ca -0.01 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.90 3bl9 h PRO 164 Cb 0.06 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3bl9 h PRO 164 CO 0.01 0.39 -0.49 1.25 -0.21 0.00 0.00 178.00 178.95 3bl9 h HIS 165 N 0.60 1.02 0.28 0.65 2.76 -0.91 -1.86 115.15 117.69 3bl9 h HIS 165 Ca 0.51 -0.36 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 3bl9 h HIS 165 Cb 0.98 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.75 3bl9 h HIS 165 CO -0.00 1.17 -0.13 -0.07 -1.30 0.00 0.00 177.93 177.59 3bl9 h LEU 166 N 0.58 -0.32 -2.17 0.26 3.38 0.01 -2.96 115.31 114.08 3bl9 h LEU 166 Ca 0.02 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3bl9 h LEU 166 Cb 1.10 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3bl9 h LEU 166 CO 0.11 -0.21 0.21 -0.33 0.09 0.00 0.00 178.44 178.32 3bl9 h GLU 167 N -0.40 0.00 0.00 1.13 5.08 -0.44 -0.10 114.58 119.86 3bl9 h GLU 167 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3bl9 h GLU 167 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3bl9 h GLU 167 CO 0.06 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.73 3bl9 h SER 168 N 0.00 0.00 -3.10 1.42 4.64 -1.17 -3.46 113.55 111.88 3bl9 h SER 168 Ca 0.10 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.91 3bl9 h SER 168 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3bl9 h SER 168 CO -0.00 0.00 -0.16 -1.10 -0.87 0.00 0.00 176.83 174.70 3bl9 s GLN 169 N -3.30 3.59 -0.41 4.77 -0.21 -0.05 -5.08 119.66 118.98 3bl9 s GLN 169 Ca 0.06 -0.09 0.03 0.00 0.02 0.00 0.00 55.36 55.38 3bl9 s GLN 169 Cb 0.08 -2.66 0.11 0.00 1.00 0.00 0.00 33.01 31.55 3bl9 s GLN 169 CO 0.58 0.20 0.14 0.45 -2.12 0.00 0.00 175.29 174.54 3bl9 s SER 170 N -3.37 4.72 -0.11 5.90 0.15 -1.26 -5.03 113.70 114.69 3bl9 s SER 170 Ca 0.43 -2.40 -0.01 0.00 0.70 0.00 0.00 55.95 54.67 3bl9 s SER 170 Cb -0.10 -1.66 -0.02 0.00 -1.71 0.00 0.00 66.02 62.52 3bl9 s SER 170 CO 0.32 -0.36 -0.08 -0.76 1.20 0.00 0.00 173.24 173.56 3bl9 s LEU 171 N 0.57 3.02 -0.11 3.45 1.43 -1.26 -5.10 118.68 120.68 3bl9 s LEU 171 Ca 0.13 -0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 52.82 3bl9 s LEU 171 Cb -0.21 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3bl9 s LEU 171 CO -0.05 0.24 0.76 -0.55 0.23 0.00 0.00 176.35 176.97 3bl9 s SER 172 N -0.06 6.97 -0.27 2.29 0.15 -1.26 -4.93 113.70 116.59 3bl9 s SER 172 Ca -0.00 1.17 0.09 0.00 0.70 0.00 0.00 55.95 57.91 3bl9 s SER 172 Cb -0.14 -2.43 0.45 0.00 -1.71 0.00 0.00 66.02 62.20 3bl9 s SER 172 CO 0.03 -0.24 1.31 2.30 1.20 0.00 0.00 173.24 177.84 3bl9 n ILE 173 N 4.22 2.43 -0.26 6.45 -5.35 -1.26 -4.87 119.36 120.71 3bl9 n ILE 173 Ca 0.01 -3.34 0.10 0.00 -0.27 0.00 0.00 62.75 59.25 3bl9 n ILE 173 Cb 0.50 -0.51 0.36 0.00 -1.74 0.00 0.00 39.64 38.26 3bl9 n ILE 173 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3bl9 h GLN 174 N 1.31 0.71 -0.49 6.28 5.75 -1.99 0.12 115.11 126.80 3bl9 h GLN 174 Ca 0.17 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3bl9 h GLN 174 Cb 1.30 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.66 3bl9 h GLN 174 CO 0.34 0.47 0.29 0.11 -2.65 0.00 0.00 178.83 177.39 3bl9 h TRP 175 N 0.73 0.63 0.13 3.99 5.08 -1.99 0.65 115.95 125.16 3bl9 h TRP 175 Ca 0.42 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 60.39 3bl9 h TRP 175 Cb 0.61 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 26.56 3bl9 h TRP 175 CO -0.00 0.42 -0.06 0.28 -1.28 0.00 0.00 178.44 177.80 3bl9 h VAL 176 N 0.67 1.02 -0.25 0.12 2.07 -1.17 -2.70 116.25 116.01 3bl9 h VAL 176 Ca 0.18 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3bl9 h VAL 176 Cb -0.03 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3bl9 h VAL 176 CO -0.03 0.15 0.10 1.88 0.02 0.00 0.00 177.57 179.69 3bl9 h TYR 177 N -0.48 0.33 -0.62 1.57 0.99 -1.20 -1.83 116.97 115.73 3bl9 h TYR 177 Ca -0.02 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.66 3bl9 h TYR 177 Cb 0.38 -0.11 -0.03 0.00 1.00 0.00 0.00 36.73 37.98 3bl9 h TYR 177 CO 0.03 0.27 0.18 -0.91 -0.00 0.00 0.00 178.16 177.72 3bl9 h ASN 178 N 0.34 0.90 -0.13 3.88 2.35 -0.75 0.47 115.58 122.64 3bl9 h ASN 178 Ca 0.09 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 3bl9 h ASN 178 Cb 0.07 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 3bl9 h ASN 178 CO -0.01 0.85 0.00 0.40 -1.65 0.00 0.00 177.43 177.03 3bl9 h ILE 179 N 0.92 1.25 -0.30 2.81 2.04 -1.03 0.21 117.51 123.42 3bl9 h ILE 179 Ca 0.20 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 65.17 3bl9 h ILE 179 Cb 0.29 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 3bl9 h ILE 179 CO -0.00 0.24 -0.18 -0.07 0.00 0.00 0.00 178.15 178.13 3bl9 h LEU 180 N -0.03 0.54 -1.27 1.44 3.38 -1.08 -2.84 115.31 115.44 3bl9 h LEU 180 Ca 0.04 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3bl9 h LEU 180 Cb 0.36 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3bl9 h LEU 180 CO 0.01 0.73 0.00 0.47 0.09 0.00 0.00 178.44 179.74 3bl9 n ASP 181 N -4.16 1.96 -1.65 -0.43 10.43 0.13 -4.94 116.55 117.89 3bl9 n ASP 181 Ca 0.00 -1.67 -0.15 0.00 2.57 0.00 0.00 54.79 55.55 3bl9 n ASP 181 Cb 0.37 -0.03 -0.01 0.00 1.84 0.00 0.00 41.12 43.29 3bl9 n ASP 181 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3bl9 n LYS 182 N 0.53 -1.16 0.10 -1.24 4.76 -0.84 -4.92 118.16 115.39 3bl9 n LYS 182 Ca 0.17 0.71 0.12 0.00 -2.87 0.00 0.00 58.31 56.44 3bl9 n LYS 182 Cb 0.42 -5.01 0.02 0.00 -1.84 0.00 0.00 35.03 28.61 3bl9 n LYS 182 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3bl9 h LYS 183 N 0.00 0.00 -3.21 1.97 1.57 -0.87 -3.44 116.57 112.59 3bl9 h LYS 183 Ca -0.34 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.29 3bl9 h LYS 183 Cb 1.25 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.34 3bl9 h LYS 183 CO 0.41 0.00 -0.39 0.00 -0.57 0.00 0.00 179.45 178.89 3bl9 s ALA 184 N -3.34 -0.58 -1.20 3.86 0.00 -0.93 -4.94 121.76 114.62 3bl9 s ALA 184 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.29 3bl9 s ALA 184 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3bl9 s ALA 184 CO 0.78 -0.19 0.00 0.39 0.00 0.00 0.00 175.76 176.74 3bl9 n GLU 185 N 1.93 -1.52 -0.34 0.00 1.02 -1.26 -4.05 120.64 116.42 3bl9 n GLU 185 Ca -0.19 0.88 0.04 0.00 -0.02 0.00 0.00 57.16 57.87 3bl9 n GLU 185 Cb 0.57 -5.21 0.22 0.00 -0.02 0.00 0.00 31.44 27.00 3bl9 n GLU 185 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bl9 h ALA 186 N 0.00 1.48 0.00 0.62 0.00 -1.90 0.24 119.26 119.70 3bl9 h ALA 186 Ca -0.23 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3bl9 h ALA 186 Cb 1.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3bl9 h ALA 186 CO 0.34 0.35 -0.03 0.38 0.00 0.00 0.00 179.25 180.29 3bl9 h ASP 187 N 1.07 0.00 0.41 0.00 2.03 -1.97 -2.99 116.42 114.97 3bl9 h ASP 187 Ca 0.43 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.73 3bl9 h ASP 187 Cb 0.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.76 3bl9 h ASP 187 CO -0.18 0.03 -0.33 0.54 -1.03 0.00 0.00 179.24 178.27 3bl9 n ARG 188 N -3.35 0.41 -1.96 4.15 1.74 0.07 -4.92 116.66 112.80 3bl9 n ARG 188 Ca -0.02 -0.22 -0.42 0.00 -0.77 0.00 0.00 57.85 56.42 3bl9 n ARG 188 Cb 0.15 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.06 3bl9 n ARG 188 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3bl9 s ILE 189 N -2.74 2.68 -0.15 0.55 1.01 -1.13 -4.42 121.20 116.99 3bl9 s ILE 189 Ca 0.19 0.49 -0.07 0.00 0.00 0.00 0.00 60.65 61.26 3bl9 s ILE 189 Cb 0.19 -3.31 -0.24 0.00 0.01 0.00 0.00 42.46 39.10 3bl9 s ILE 189 CO 0.59 0.04 0.24 0.52 0.00 0.00 0.00 174.94 176.33 3bl9 n VAL 190 N 3.91 1.71 -3.73 2.92 0.31 -0.16 -4.98 118.33 118.31 3bl9 n VAL 190 Ca 0.13 -0.59 -0.14 0.00 -0.01 0.00 0.00 64.34 63.74 3bl9 n VAL 190 Cb 0.39 -1.71 -0.09 0.00 -0.91 0.00 0.00 33.84 31.52 3bl9 n VAL 190 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3bl9 s PHE 191 N -2.54 -0.34 -0.01 3.52 5.36 -1.09 -5.01 117.98 117.87 3bl9 s PHE 191 Ca -0.25 0.73 -0.00 0.00 -0.96 0.00 0.00 56.93 56.44 3bl9 s PHE 191 Cb 0.07 0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.91 3bl9 s PHE 191 CO 0.72 -0.31 0.02 -2.00 -1.46 0.00 0.00 175.22 172.19 3bl9 s GLU 192 N -0.53 -0.01 -0.37 10.12 2.12 -1.26 0.36 118.70 129.12 3bl9 s GLU 192 Ca -0.06 0.10 -0.09 0.00 0.36 0.00 0.00 54.97 55.28 3bl9 s GLU 192 Cb -0.04 -0.12 0.04 0.00 0.26 0.00 0.00 34.13 34.27 3bl9 s GLU 192 CO 0.03 -0.09 0.18 1.21 -0.54 0.00 0.00 175.26 176.05 3bl9 s ASN 193 N 0.55 5.60 0.00 -1.70 3.84 -0.23 -4.98 114.94 118.02 3bl9 s ASN 193 Ca -0.05 -1.10 0.17 0.00 0.21 0.00 0.00 52.86 52.09 3bl9 s ASN 193 Cb -0.07 -1.97 0.91 0.00 -0.55 0.00 0.00 41.25 39.57 3bl9 s ASN 193 CO -0.02 -0.39 1.60 -0.81 -2.79 0.00 0.00 177.10 174.70 3bl9 n PRO 194 N 4.93 1.16 -1.67 0.43 -0.04 -1.26 -0.23 135.00 138.31 3bl9 n PRO 194 Ca -0.12 -0.24 -0.48 0.00 -0.04 0.00 0.00 63.50 62.63 3bl9 n PRO 194 Cb 0.45 -1.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.59 3bl9 n PRO 194 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3bl9 n ASP 195 N -0.52 3.23 0.26 3.54 -0.08 -1.26 -4.85 116.55 116.87 3bl9 n ASP 195 Ca 0.13 1.02 0.11 0.00 -1.51 0.00 0.00 54.79 54.55 3bl9 n ASP 195 Cb 0.11 -1.38 0.73 0.00 2.34 0.00 0.00 41.12 42.91 3bl9 n ASP 195 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3bl9 h PRO 196 N 7.69 0.00 0.00 -0.67 0.11 -1.92 -0.44 132.00 136.76 3bl9 h PRO 196 Ca -0.47 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.36 3bl9 h PRO 196 Cb 1.27 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 3bl9 h PRO 196 CO 0.92 0.09 -1.51 0.45 -0.21 0.00 0.00 178.00 177.74 3bl9 n SER 197 N -3.91 1.88 -0.75 -2.05 2.88 -1.26 -2.84 113.62 107.56 3bl9 n SER 197 Ca -0.02 0.41 0.07 0.00 -1.33 0.00 0.00 58.87 58.00 3bl9 n SER 197 Cb 0.19 -0.94 0.21 0.00 -0.75 0.00 0.00 64.21 62.92 3bl9 n SER 197 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3bl9 n ASP 198 N -4.40 3.43 -4.95 -3.46 8.00 -1.24 -4.56 116.55 109.38 3bl9 n ASP 198 Ca -0.36 -2.60 -0.21 0.00 0.71 0.00 0.00 54.79 52.32 3bl9 n ASP 198 Cb 0.72 -0.41 0.01 0.00 -0.02 0.00 0.00 41.12 41.42 3bl9 n ASP 198 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bl9 s GLY 199 N -1.57 2.05 0.11 0.44 0.00 -0.18 -4.46 107.32 103.71 3bl9 s GLY 199 Ca 0.34 -1.77 -0.26 0.00 0.00 0.00 0.00 44.72 43.03 3bl9 s GLY 199 CO 0.11 -1.74 0.90 -0.11 0.00 0.00 0.00 173.10 172.26 3bl9 s PHE 200 N -2.60 -0.23 -0.13 1.90 -0.12 0.68 -1.48 117.98 115.99 3bl9 s PHE 200 Ca 0.49 -0.03 0.01 0.00 -0.05 0.00 0.00 56.93 57.35 3bl9 s PHE 200 Cb -0.05 0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 42.94 3bl9 s PHE 200 CO 0.30 -0.77 -0.15 0.08 -0.05 0.00 0.00 175.22 174.63 3bl9 s VAL 201 N -3.31 2.79 -0.21 -2.49 1.01 -0.35 -1.07 120.40 116.77 3bl9 s VAL 201 Ca 0.09 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 3bl9 s VAL 201 Cb -0.02 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3bl9 s VAL 201 CO -0.02 0.53 0.07 -0.22 0.00 0.00 0.00 175.10 175.46 3bl9 s LEU 202 N 0.48 3.73 -0.11 3.92 2.96 0.16 -0.98 118.68 128.84 3bl9 s LEU 202 Ca -0.11 -0.00 -0.12 0.00 -0.22 0.00 0.00 54.13 53.68 3bl9 s LEU 202 Cb -0.16 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.59 3bl9 s LEU 202 CO 0.05 0.10 0.33 -0.51 -1.32 0.00 0.00 176.35 175.00 3bl9 s ILE 203 N 0.81 0.01 0.31 6.68 2.07 -0.20 -0.99 121.20 129.89 3bl9 s ILE 203 Ca 0.04 -0.07 -0.29 0.00 -1.41 0.00 0.00 60.65 58.92 3bl9 s ILE 203 Cb -0.13 -0.49 -0.12 0.00 0.13 0.00 0.00 42.46 41.84 3bl9 s ILE 203 CO 0.02 -0.04 1.43 -2.65 -1.91 0.00 0.00 174.94 171.80 3bl9 n PRO 204 N 2.66 2.36 -2.36 3.50 -0.02 -1.26 -0.67 135.00 139.21 3bl9 n PRO 204 Ca -0.14 0.83 -0.34 0.00 -2.02 0.00 0.00 63.50 61.83 3bl9 n PRO 204 Cb 0.57 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 3bl9 n PRO 204 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3bl9 s ASP 205 N 0.07 6.07 0.38 2.55 -1.08 -0.24 -4.75 116.67 119.66 3bl9 s ASP 205 Ca 0.60 1.96 0.18 0.00 -0.52 0.00 0.00 52.55 54.76 3bl9 s ASP 205 Cb -0.55 -2.56 1.10 0.00 -1.46 0.00 0.00 42.92 39.46 3bl9 s ASP 205 CO 0.56 -0.97 1.72 0.25 0.52 0.00 0.00 175.17 177.25 3bl9 h LEU 206 N 1.21 0.48 -1.98 -1.34 5.85 -1.92 -0.50 115.31 117.11 3bl9 h LEU 206 Ca -0.49 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.39 3bl9 h LEU 206 Cb 1.23 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 3bl9 h LEU 206 CO 0.58 0.01 0.11 0.50 -0.34 0.00 0.00 178.44 179.30 3bl9 h LYS 207 N 0.38 0.03 -5.20 1.25 1.63 -1.92 -3.43 116.57 109.31 3bl9 h LYS 207 Ca 0.66 -0.00 -0.62 0.00 -0.85 0.00 0.00 60.65 59.84 3bl9 h LYS 207 Cb 1.64 -0.01 -0.14 0.00 -0.60 0.00 0.00 32.23 33.12 3bl9 h LYS 207 CO -0.40 0.02 -0.30 -0.46 -3.45 0.00 0.00 179.45 174.86 3bl9 s TRP 208 N -5.08 3.29 -1.68 1.91 -0.00 -0.20 -4.95 118.94 112.24 3bl9 s TRP 208 Ca -0.05 0.41 0.29 0.00 -0.00 0.00 0.00 56.10 56.75 3bl9 s TRP 208 Cb 0.18 -2.48 1.61 0.00 -0.00 0.00 0.00 33.47 32.77 3bl9 s TRP 208 CO 0.69 -0.10 2.06 0.27 -0.00 0.00 0.00 176.95 179.86 3bl9 n ASN 209 N 4.86 0.00 0.00 5.86 2.04 -1.26 -4.79 115.26 121.96 3bl9 n ASN 209 Ca -0.10 -0.48 0.00 0.00 -0.44 0.00 0.00 54.58 53.56 3bl9 n ASN 209 Cb 0.51 -0.16 0.00 0.00 -2.53 0.00 0.00 39.78 37.60 3bl9 n ASN 209 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3bl9 n GLN 210 N -1.16 -0.93 0.00 -3.83 6.02 -1.26 -4.88 117.38 111.34 3bl9 n GLN 210 Ca 0.18 0.23 0.13 0.00 -0.01 0.00 0.00 57.00 57.52 3bl9 n GLN 210 Cb 0.18 -3.99 0.35 0.00 1.02 0.00 0.00 30.24 27.80 3bl9 n GLN 210 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3bl9 n GLN 211 N -1.04 0.02 -3.50 -1.09 1.13 -1.26 -4.90 117.38 106.74 3bl9 n GLN 211 Ca 0.00 -0.01 -0.15 0.00 -1.94 0.00 0.00 57.00 54.90 3bl9 n GLN 211 Cb 0.23 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.04 3bl9 n GLN 211 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 3bl9 s GLN 212 N -2.99 1.12 0.09 -1.09 0.00 -1.26 -5.05 119.66 110.48 3bl9 s GLN 212 Ca 0.12 -0.13 0.27 0.00 -0.00 0.00 0.00 55.36 55.62 3bl9 s GLN 212 Cb 0.18 0.52 0.85 0.00 0.00 0.00 0.00 33.01 34.56 3bl9 s GLN 212 CO 0.65 -0.42 1.71 1.28 0.00 0.00 0.00 175.29 178.51 3bl9 n LEU 213 N 0.33 0.45 0.26 2.60 4.77 -1.26 -4.11 117.00 120.04 3bl9 n LEU 213 Ca -0.18 0.41 0.09 0.00 -0.03 0.00 0.00 56.01 56.30 3bl9 n LEU 213 Cb 0.61 -0.35 0.66 0.00 -2.33 0.00 0.00 43.42 42.00 3bl9 n LEU 213 CO 0.19 -0.05 1.02 0.44 -1.33 0.00 0.00 177.39 177.65 3bl9 h ASP 214 N 0.00 0.00 -0.06 -1.43 3.32 -1.98 -2.02 116.42 114.24 3bl9 h ASP 214 Ca 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3bl9 h ASP 214 Cb 0.62 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 3bl9 h ASP 214 CO 0.00 0.07 -0.53 -0.90 -1.72 0.00 0.00 179.24 176.16 3bl9 n ASP 215 N -4.25 1.98 -4.63 6.45 5.75 -1.26 -3.83 116.55 116.76 3bl9 n ASP 215 Ca -0.03 -3.88 -0.49 0.00 -0.01 0.00 0.00 54.79 50.39 3bl9 n ASP 215 Cb 0.15 -0.51 -0.05 0.00 -1.03 0.00 0.00 41.12 39.68 3bl9 n ASP 215 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3bl9 n LEU 216 N -1.07 2.42 -3.22 -2.12 0.00 -0.76 -4.81 117.00 107.43 3bl9 n LEU 216 Ca 0.21 1.10 -0.01 0.00 0.00 0.00 0.00 56.01 57.31 3bl9 n LEU 216 Cb 0.72 -1.32 -0.03 0.00 0.00 0.00 0.00 43.42 42.79 3bl9 n LEU 216 CO -0.00 -0.64 0.05 -0.47 0.00 0.00 0.00 177.39 176.33 3bl9 s TYR 217 N 0.70 -1.42 0.23 1.96 6.04 -1.25 -1.58 117.35 122.04 3bl9 s TYR 217 Ca 0.81 1.04 0.11 0.00 0.04 0.00 0.00 57.07 59.07 3bl9 s TYR 217 Cb -0.81 0.23 -0.05 0.00 -1.04 0.00 0.00 41.96 40.30 3bl9 s TYR 217 CO 0.42 -0.95 -0.14 -0.51 -1.54 0.00 0.00 175.55 172.84 3bl9 s LEU 218 N 2.72 2.79 0.00 6.97 1.02 -0.26 -1.08 118.68 130.84 3bl9 s LEU 218 Ca 0.13 -0.79 0.07 0.00 0.02 0.00 0.00 54.13 53.56 3bl9 s LEU 218 Cb -0.13 -1.39 -0.03 0.00 0.02 0.00 0.00 46.19 44.66 3bl9 s LEU 218 CO -0.24 0.07 -0.22 0.27 0.02 0.00 0.00 176.35 176.25 3bl9 s ILE 219 N -2.08 2.47 -0.27 -0.59 -4.36 0.16 -0.46 121.20 116.07 3bl9 s ILE 219 Ca 0.27 -1.10 -0.11 0.00 -0.26 0.00 0.00 60.65 59.45 3bl9 s ILE 219 Cb -0.07 -1.95 -0.05 0.00 1.25 0.00 0.00 42.46 41.64 3bl9 s ILE 219 CO 0.15 0.48 0.18 0.00 0.24 0.00 0.00 174.94 175.99 3bl9 s ALA 220 N -0.75 3.52 -0.22 2.27 0.00 -0.10 -1.03 121.76 125.44 3bl9 s ALA 220 Ca 0.12 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 3bl9 s ALA 220 Cb -0.10 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 3bl9 s ALA 220 CO 0.01 -0.50 0.00 0.42 0.00 0.00 0.00 175.76 175.70 3bl9 s ILE 221 N 1.66 3.82 0.48 0.00 1.01 -0.15 -1.06 121.20 126.96 3bl9 s ILE 221 Ca 0.07 -0.34 -0.22 0.00 0.00 0.00 0.00 60.65 60.16 3bl9 s ILE 221 Cb -0.16 -2.75 -0.07 0.00 0.01 0.00 0.00 42.46 39.49 3bl9 s ILE 221 CO 0.10 0.40 1.15 0.00 0.00 0.00 0.00 174.94 176.59 3bl9 h HIS 223 N 1.84 0.81 -3.14 0.00 3.86 -1.53 -3.45 115.15 113.54 3bl9 h HIS 223 Ca -0.49 -0.22 -0.54 0.00 -1.16 0.00 0.00 60.37 57.96 3bl9 h HIS 223 Cb 1.25 -0.18 0.08 0.00 1.06 0.00 0.00 27.41 29.62 3bl9 h HIS 223 CO 0.53 0.94 0.86 -2.13 0.86 0.00 0.00 177.93 178.99 3bl9 n ARG 224 N -4.06 2.63 -3.66 2.45 0.63 -1.13 -4.99 116.66 108.53 3bl9 n ARG 224 Ca -0.01 0.94 -0.29 0.00 -0.92 0.00 0.00 57.85 57.56 3bl9 n ARG 224 Cb 0.50 -2.71 -0.04 0.00 0.45 0.00 0.00 32.46 30.66 3bl9 n ARG 224 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3bl9 s ARG 225 N -0.33 3.57 0.00 -0.14 3.00 -1.26 -4.55 118.95 119.23 3bl9 s ARG 225 Ca 0.66 -0.20 0.00 0.00 0.00 0.00 0.00 55.73 56.18 3bl9 s ARG 225 Cb -0.52 -2.84 0.00 0.00 0.00 0.00 0.00 34.95 31.60 3bl9 s ARG 225 CO 0.47 0.42 0.00 0.41 0.00 0.00 0.00 175.30 176.60 3bl9 n GLY 226 N -0.31 0.66 3.48 -3.53 0.00 -1.26 -5.02 105.19 99.22 3bl9 n GLY 226 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3bl9 n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bl9 s ILE 227 N -2.21 4.57 0.05 -0.61 1.01 -1.26 -4.94 121.20 117.81 3bl9 s ILE 227 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.55 3bl9 s ILE 227 Cb 0.00 -4.46 -0.25 0.00 0.01 0.00 0.00 42.46 37.75 3bl9 s ILE 227 CO 0.00 -1.03 1.02 0.03 0.00 0.00 0.00 174.94 174.96 3bl9 h ARG 228 N 9.22 0.16 0.00 2.79 3.08 -1.94 0.13 114.38 127.81 3bl9 h ARG 228 Ca -0.27 -0.27 0.22 0.00 0.07 0.00 0.00 59.98 59.73 3bl9 h ARG 228 Cb 1.08 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.19 3bl9 h ARG 228 CO 1.05 1.04 0.68 -1.13 -1.07 0.00 0.00 179.97 180.54 3bl9 n SER 229 N -3.40 -1.44 -0.31 7.04 3.41 -1.26 -3.50 113.62 114.16 3bl9 n SER 229 Ca -0.10 -1.61 0.18 0.00 -0.26 0.00 0.00 58.87 57.08 3bl9 n SER 229 Cb 1.01 2.31 0.34 0.00 -0.26 0.00 0.00 64.21 67.60 3bl9 n SER 229 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bl9 n LEU 230 N 0.00 0.00 0.26 1.04 4.32 -1.26 -2.05 117.00 119.31 3bl9 n LEU 230 Ca 0.00 1.53 0.17 0.00 -0.02 0.00 0.00 56.01 57.69 3bl9 n LEU 230 Cb 0.55 -0.61 0.90 0.00 -1.62 0.00 0.00 43.42 42.64 3bl9 n LEU 230 CO 0.18 -1.59 1.14 0.03 -1.22 0.00 0.00 177.39 175.93 3bl9 h ARG 231 N 0.00 0.00 -0.01 3.23 2.47 -1.96 -1.02 114.38 117.09 3bl9 h ARG 231 Ca 0.61 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.33 3bl9 h ARG 231 Cb 1.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 3bl9 h ARG 231 CO -0.81 0.00 -0.25 -0.25 0.56 0.00 0.00 179.97 179.22 3bl9 n ASP 232 N -3.72 0.79 -4.72 7.04 8.00 -0.87 -4.51 116.55 118.56 3bl9 n ASP 232 Ca -0.01 -0.69 -0.42 0.00 0.71 0.00 0.00 54.79 54.39 3bl9 n ASP 232 Cb 0.21 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 3bl9 n ASP 232 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3bl9 s LEU 233 N -2.57 4.41 0.39 0.64 1.43 -0.39 -5.00 118.68 117.58 3bl9 s LEU 233 Ca 0.23 1.91 0.05 0.00 -1.03 0.00 0.00 54.13 55.29 3bl9 s LEU 233 Cb 0.19 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 3bl9 s LEU 233 CO 0.53 -0.32 0.17 0.42 0.23 0.00 0.00 176.35 177.38 3bl9 s THR 234 N 0.68 0.42 0.62 5.49 -4.23 -1.26 -4.63 115.64 112.73 3bl9 s THR 234 Ca 0.54 -2.00 0.41 0.00 -1.18 0.00 0.00 61.69 59.46 3bl9 s THR 234 Cb -0.27 -2.37 0.41 0.00 1.34 0.00 0.00 72.50 71.62 3bl9 s THR 234 CO 0.30 0.00 2.27 -0.65 -0.54 0.00 0.00 174.62 176.00 3bl9 h PRO 235 N 1.87 0.00 -0.56 3.99 0.11 -1.87 -0.91 132.00 134.63 3bl9 h PRO 235 Ca -0.32 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.93 3bl9 h PRO 235 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 3bl9 h PRO 235 CO 0.51 0.00 0.39 1.49 -0.21 0.00 0.00 178.00 180.18 3bl9 h GLU 236 N 0.00 0.09 -0.05 1.05 4.81 -1.97 -2.03 114.58 116.48 3bl9 h GLU 236 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3bl9 h GLU 236 Cb 0.11 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3bl9 h GLU 236 CO 0.00 0.06 0.00 0.72 -0.73 0.00 0.00 179.01 179.06 3bl9 n HIS 237 N -4.40 0.04 -0.19 0.92 8.25 -0.35 -4.44 115.22 115.05 3bl9 n HIS 237 Ca 0.10 -0.02 -0.04 0.00 -0.26 0.00 0.00 57.72 57.50 3bl9 n HIS 237 Cb 0.57 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.74 3bl9 n HIS 237 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3bl9 h LEU 238 N 3.49 0.46 -0.84 2.41 3.38 -1.46 -0.97 115.31 121.78 3bl9 h LEU 238 Ca 0.00 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3bl9 h LEU 238 Cb 0.74 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 3bl9 h LEU 238 CO 0.00 0.31 0.53 -0.65 0.09 0.00 0.00 178.44 178.72 3bl9 h PRO 239 N 0.59 0.97 -0.17 1.13 0.11 -1.80 0.45 132.00 133.28 3bl9 h PRO 239 Ca 0.24 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.30 3bl9 h PRO 239 Cb 0.11 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 3bl9 h PRO 239 CO -0.15 0.64 0.08 1.25 -0.21 0.00 0.00 178.00 179.62 3bl9 h LEU 240 N 1.00 0.12 -0.54 2.35 5.85 -1.69 0.43 115.31 122.82 3bl9 h LEU 240 Ca 0.35 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 59.02 3bl9 h LEU 240 Cb 0.09 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3bl9 h LEU 240 CO -0.14 0.10 0.11 -0.07 -0.34 0.00 0.00 178.44 178.09 3bl9 h LEU 241 N 0.18 0.85 -0.63 2.25 3.38 -0.90 0.06 115.31 120.49 3bl9 h LEU 241 Ca 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3bl9 h LEU 241 Cb 0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3bl9 h LEU 241 CO -0.05 0.88 0.30 0.03 0.09 0.00 0.00 178.44 179.69 3bl9 h ARG 242 N 0.78 0.92 -0.06 1.13 3.08 -0.82 -1.15 114.38 118.26 3bl9 h ARG 242 Ca 0.17 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 60.08 3bl9 h ARG 242 Cb 0.38 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3bl9 h ARG 242 CO 0.01 0.74 0.02 -0.91 -1.07 0.00 0.00 179.97 178.75 3bl9 h ASN 243 N 0.87 0.01 -0.17 7.04 2.35 -0.45 -0.81 115.58 124.43 3bl9 h ASN 243 Ca 0.22 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 56.02 3bl9 h ASN 243 Cb 0.13 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 3bl9 h ASN 243 CO -0.03 0.02 -0.10 0.40 -1.65 0.00 0.00 177.43 176.07 3bl9 h ILE 244 N 0.04 0.69 0.16 2.81 2.04 -0.82 -0.17 117.51 122.26 3bl9 h ILE 244 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3bl9 h ILE 244 Cb 0.02 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3bl9 h ILE 244 CO -0.03 0.00 -0.08 0.25 0.00 0.00 0.00 178.15 178.29 3bl9 h LEU 245 N -0.10 -0.18 0.10 1.44 5.85 -0.98 -1.11 115.31 120.34 3bl9 h LEU 245 Ca 0.10 -0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 3bl9 h LEU 245 Cb 0.24 0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.33 3bl9 h LEU 245 CO -0.23 -0.01 -0.56 0.45 -0.34 0.00 0.00 178.44 177.75 3bl9 h HIS 246 N -0.34 0.37 -0.25 1.25 3.86 -1.12 -2.37 115.15 116.56 3bl9 h HIS 246 Ca -0.02 -0.27 -0.12 0.00 -1.16 0.00 0.00 60.37 58.80 3bl9 h HIS 246 Cb 0.27 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 3bl9 h HIS 246 CO -0.03 1.21 -0.34 1.96 0.86 0.00 0.00 177.93 181.60 3bl9 h GLN 247 N -0.57 0.53 -0.24 2.45 4.20 -1.16 -1.17 115.11 119.15 3bl9 h GLN 247 Ca -0.10 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.34 3bl9 h GLN 247 Cb 1.44 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 3bl9 h GLN 247 CO 0.10 0.80 0.04 0.78 -0.67 0.00 0.00 178.83 179.89 3bl9 h GLY 248 N 1.05 0.43 1.10 3.46 0.00 -1.23 -0.27 103.07 107.61 3bl9 h GLY 248 Ca 0.05 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 46.96 3bl9 h GLY 248 CO 0.07 0.26 -0.26 1.46 0.00 0.00 0.00 176.54 178.07 3bl9 h GLN 249 N 0.21 0.97 -0.84 4.80 4.20 -1.37 -2.35 115.11 120.72 3bl9 h GLN 249 Ca 0.07 -0.44 -0.03 0.00 0.06 0.00 0.00 58.65 58.31 3bl9 h GLN 249 Cb 0.31 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 3bl9 h GLN 249 CO 0.00 1.11 0.39 1.49 -0.67 0.00 0.00 178.83 181.15 3bl9 h GLU 250 N 0.81 1.22 -0.77 1.46 4.57 -1.08 -0.74 114.58 120.05 3bl9 h GLU 250 Ca 0.09 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3bl9 h GLU 250 Cb 0.84 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 29.17 3bl9 h GLU 250 CO 0.07 0.95 0.49 0.00 -1.18 0.00 0.00 179.01 179.34 3bl9 h ALA 251 N 1.21 1.01 -0.36 2.92 0.00 -0.87 -0.48 119.26 122.70 3bl9 h ALA 251 Ca 0.29 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 3bl9 h ALA 251 Cb 0.14 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3bl9 h ALA 251 CO -0.03 0.30 -0.43 0.82 0.00 0.00 0.00 179.25 179.91 3bl9 h ILE 252 N 0.96 1.27 -0.32 0.00 2.04 -1.09 -1.41 117.51 118.97 3bl9 h ILE 252 Ca 0.31 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.56 3bl9 h ILE 252 Cb 0.00 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3bl9 h ILE 252 CO -0.11 0.53 0.21 0.25 0.00 0.00 0.00 178.15 179.04 3bl9 h LEU 253 N 0.73 0.37 -0.57 1.44 5.85 -0.74 -0.80 115.31 121.59 3bl9 h LEU 253 Ca 0.05 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 3bl9 h LEU 253 Cb 1.02 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 3bl9 h LEU 253 CO 0.10 0.27 -0.14 1.56 -0.34 0.00 0.00 178.44 179.90 3bl9 h GLN 254 N 0.44 1.00 0.06 1.25 1.08 -0.97 -0.35 115.11 117.61 3bl9 h GLN 254 Ca 0.12 -0.38 -0.10 0.00 -1.45 0.00 0.00 58.65 56.84 3bl9 h GLN 254 Cb -0.05 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 27.33 3bl9 h GLN 254 CO -0.03 1.06 -0.44 -0.09 -0.95 0.00 0.00 178.83 178.38 3bl9 h ARG 255 N 0.88 0.12 -0.00 1.46 9.65 -1.23 -3.39 114.38 121.87 3bl9 h ARG 255 Ca 0.13 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3bl9 h ARG 255 Cb 0.70 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 3bl9 h ARG 255 CO 0.05 1.10 -0.59 0.66 2.80 0.00 0.00 179.97 183.98 3bl9 n TYR 256 N -4.39 0.00 -1.89 2.20 4.02 -0.32 -4.99 117.16 111.79 3bl9 n TYR 256 Ca -0.14 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.60 3bl9 n TYR 256 Cb 0.64 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.92 3bl9 n TYR 256 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3bl9 n ARG 257 N -1.04 -1.12 -3.69 -0.72 5.12 -0.14 -4.99 116.66 110.07 3bl9 n ARG 257 Ca 0.04 0.87 -0.37 0.00 -1.93 0.00 0.00 57.85 56.45 3bl9 n ARG 257 Cb 0.25 -5.11 -0.11 0.00 -1.16 0.00 0.00 32.46 26.33 3bl9 n ARG 257 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 3bl9 s MET 258 N -4.06 3.87 0.64 5.56 1.75 -1.23 -4.97 119.30 120.86 3bl9 s MET 258 Ca 0.00 -0.37 -0.11 0.00 -1.25 0.00 0.00 55.69 53.96 3bl9 s MET 258 Cb 0.00 -3.49 -0.02 0.00 2.84 0.00 0.00 34.83 34.15 3bl9 s MET 258 CO 0.00 -0.11 1.04 0.15 -0.65 0.00 0.00 175.02 175.45 3bl9 s LYS 259 N 1.48 3.38 0.44 4.11 1.02 -1.26 -3.39 119.74 125.51 3bl9 s LYS 259 Ca 0.06 0.84 0.13 0.00 0.02 0.00 0.00 55.97 57.03 3bl9 s LYS 259 Cb -0.15 -2.05 0.98 0.00 -0.52 0.00 0.00 37.83 36.09 3bl9 s LYS 259 CO 0.07 -0.75 2.00 0.78 -0.92 0.00 0.00 175.35 176.52 3bl9 h GLY 260 N -0.40 0.07 1.21 -3.33 0.00 -1.95 0.19 103.07 98.86 3bl9 h GLY 260 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3bl9 h GLY 260 CO 0.60 0.03 0.00 2.09 0.00 0.00 0.00 176.54 179.26 3bl9 n ASP 261 N -4.34 0.00 -1.16 0.19 3.85 -1.26 -1.59 116.55 112.24 3bl9 n ASP 261 Ca -0.02 -0.47 0.12 0.00 -0.71 0.00 0.00 54.79 53.71 3bl9 n ASP 261 Cb 0.23 -0.11 0.21 0.00 -1.35 0.00 0.00 41.12 40.10 3bl9 n ASP 261 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 3bl9 n HIS 262 N -1.11 0.49 -4.91 2.11 8.25 0.05 -4.96 115.22 115.15 3bl9 n HIS 262 Ca 0.15 -0.25 -0.32 0.00 -0.26 0.00 0.00 57.72 57.05 3bl9 n HIS 262 Cb 0.12 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.09 3bl9 n HIS 262 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3bl9 s LEU 263 N -1.50 2.51 -0.29 2.41 1.43 -0.62 -0.38 118.68 122.24 3bl9 s LEU 263 Ca 0.38 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.07 3bl9 s LEU 263 Cb 0.23 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.98 3bl9 s LEU 263 CO 0.32 0.31 0.06 -0.60 0.23 0.00 0.00 176.35 176.66 3bl9 s ARG 264 N -0.97 2.98 -0.21 1.70 3.52 0.86 -4.73 118.95 122.10 3bl9 s ARG 264 Ca 0.12 -0.92 -0.01 0.00 -0.13 0.00 0.00 55.73 54.80 3bl9 s ARG 264 Cb -0.10 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 29.99 3bl9 s ARG 264 CO 0.02 -0.46 -0.12 0.08 -0.81 0.00 0.00 175.30 174.00 3bl9 s VAL 265 N 1.45 2.57 0.13 7.11 1.01 -1.26 -1.46 120.40 129.95 3bl9 s VAL 265 Ca 0.02 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.89 3bl9 s VAL 265 Cb -0.17 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 34.05 3bl9 s VAL 265 CO 0.01 0.38 0.46 -0.72 0.00 0.00 0.00 175.10 175.23 3bl9 s TYR 266 N 1.32 -0.31 0.23 5.22 -0.85 -0.24 -0.99 117.35 121.74 3bl9 s TYR 266 Ca 0.03 0.04 0.07 0.00 -0.52 0.00 0.00 57.07 56.68 3bl9 s TYR 266 Cb -0.15 0.35 -0.04 0.00 0.38 0.00 0.00 41.96 42.50 3bl9 s TYR 266 CO -0.08 -0.74 0.18 -0.51 -1.52 0.00 0.00 175.55 172.87 3bl9 s LEU 267 N -2.75 3.79 -0.02 -3.49 1.02 0.06 -0.42 118.68 116.87 3bl9 s LEU 267 Ca 0.02 -0.23 -0.13 0.00 0.02 0.00 0.00 54.13 53.81 3bl9 s LEU 267 Cb 0.01 -2.35 -0.05 0.00 0.02 0.00 0.00 46.19 43.82 3bl9 s LEU 267 CO -0.12 -0.01 0.35 -1.00 0.02 0.00 0.00 176.35 175.59 3bl9 s HIS 268 N -2.04 3.69 -0.06 0.29 3.76 -1.26 -0.95 115.29 118.72 3bl9 s HIS 268 Ca 0.32 0.88 -0.03 0.00 -0.15 0.00 0.00 55.06 56.08 3bl9 s HIS 268 Cb -0.08 -2.20 0.04 0.00 1.11 0.00 0.00 32.58 31.44 3bl9 s HIS 268 CO 0.24 0.66 0.10 -0.47 -0.85 0.00 0.00 174.74 174.43 3bl9 s TYR 269 N -1.08 -0.04 0.48 1.40 5.04 -0.04 -3.41 117.35 119.71 3bl9 s TYR 269 Ca 0.22 0.40 -0.21 0.00 -2.44 0.00 0.00 57.07 55.04 3bl9 s TYR 269 Cb -0.15 -0.38 -0.07 0.00 0.35 0.00 0.00 41.96 41.70 3bl9 s TYR 269 CO 0.11 -0.22 1.10 -0.51 -1.34 0.00 0.00 175.55 174.69 3bl9 s LEU 270 N 2.19 3.91 0.63 6.97 1.43 -1.26 -4.47 118.68 128.08 3bl9 s LEU 270 Ca 0.04 2.12 -0.13 0.00 -1.03 0.00 0.00 54.13 55.13 3bl9 s LEU 270 Cb -0.12 -4.42 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 3bl9 s LEU 270 CO -0.04 -0.90 1.04 -2.16 0.23 0.00 0.00 176.35 174.52 3bl9 s PRO 271 N -2.99 3.37 0.46 1.29 0.04 -1.22 -4.95 135.00 131.00 3bl9 s PRO 271 Ca 0.66 0.94 0.26 0.00 0.04 0.00 0.00 61.00 62.91 3bl9 s PRO 271 Cb -0.23 -2.05 0.67 0.00 0.04 0.00 0.00 34.50 32.94 3bl9 s PRO 271 CO 0.27 -0.76 1.73 0.77 0.04 0.00 0.00 177.00 179.05 3bl9 h SER 272 N -0.12 0.00 -4.22 6.66 0.02 -1.99 -3.44 113.55 110.46 3bl9 h SER 272 Ca -0.45 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.34 3bl9 h SER 272 Cb 1.20 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.50 3bl9 h SER 272 CO 0.59 0.00 -0.47 -0.72 -1.14 0.00 0.00 176.83 175.09 3bl9 s TYR 273 N -3.34 -0.14 -1.00 3.45 -0.85 -1.26 -5.09 117.35 109.12 3bl9 s TYR 273 Ca 0.05 0.32 -0.03 0.00 -0.52 0.00 0.00 57.07 56.90 3bl9 s TYR 273 Cb 0.07 0.04 0.25 0.00 0.38 0.00 0.00 41.96 42.70 3bl9 s TYR 273 CO 0.62 -0.18 2.10 0.66 -1.52 0.00 0.00 175.55 177.24 3bl9 n TYR 274 N 2.42 2.64 -3.71 -3.49 4.02 -1.26 -4.75 117.16 113.04 3bl9 n TYR 274 Ca -0.16 -2.51 -0.23 0.00 -0.01 0.00 0.00 57.90 55.00 3bl9 n TYR 274 Cb 0.58 -1.37 -0.18 0.00 -0.02 0.00 0.00 39.34 38.35 3bl9 n TYR 274 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3bl9 s HIS 275 N -3.25 0.41 -0.06 -0.72 2.46 -1.23 -4.32 115.29 108.58 3bl9 s HIS 275 Ca 0.47 -0.09 -0.40 0.00 0.47 0.00 0.00 55.06 55.52 3bl9 s HIS 275 Cb 0.26 -0.69 -0.19 0.00 -0.13 0.00 0.00 32.58 31.83 3bl9 s HIS 275 CO -0.19 -0.33 1.25 -0.11 -2.47 0.00 0.00 174.74 172.89 3bl9 n LEU 276 N 5.21 0.70 -3.76 8.88 7.94 0.45 -4.93 117.00 131.50 3bl9 n LEU 276 Ca -0.06 1.15 -0.11 0.00 -1.11 0.00 0.00 56.01 55.88 3bl9 n LEU 276 Cb 0.50 -1.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.38 3bl9 n LEU 276 CO 0.09 -1.47 0.03 -1.38 -1.11 0.00 0.00 177.39 173.55 3bl9 s HIS 277 N 0.71 -0.10 -0.05 1.96 -3.43 -1.26 -3.22 115.29 109.91 3bl9 s HIS 277 Ca 0.92 -0.06 0.04 0.00 -0.80 0.00 0.00 55.06 55.16 3bl9 s HIS 277 Cb -1.21 0.09 0.00 0.00 -1.43 0.00 0.00 32.58 30.03 3bl9 s HIS 277 CO 0.58 -0.51 -0.16 0.08 -2.00 0.00 0.00 174.74 172.73 3bl9 s VAL 278 N -2.63 1.34 -0.18 -5.38 1.01 -0.22 -4.67 120.40 109.67 3bl9 s VAL 278 Ca -0.04 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 3bl9 s VAL 278 Cb -0.01 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 3bl9 s VAL 278 CO -0.04 0.39 0.61 -1.00 0.00 0.00 0.00 175.10 175.07 3bl9 s HIS 279 N 0.17 3.40 -0.35 5.22 3.76 0.44 -0.92 115.29 127.01 3bl9 s HIS 279 Ca -0.06 0.93 -0.06 0.00 -0.15 0.00 0.00 55.06 55.72 3bl9 s HIS 279 Cb -0.12 -2.77 0.05 0.00 1.11 0.00 0.00 32.58 30.84 3bl9 s HIS 279 CO 0.03 -0.13 0.11 -0.06 -0.85 0.00 0.00 174.74 173.84 3bl9 s PHE 280 N 1.73 3.29 0.06 1.40 0.40 0.40 -1.07 117.98 124.19 3bl9 s PHE 280 Ca 0.29 -1.56 0.07 0.00 -0.60 0.00 0.00 56.93 55.13 3bl9 s PHE 280 Cb -0.16 -2.38 -0.03 0.00 0.51 0.00 0.00 43.02 40.96 3bl9 s PHE 280 CO 0.11 -0.77 -0.20 0.95 0.70 0.00 0.00 175.22 176.01 3bl9 s THR 281 N 1.37 1.64 0.24 0.64 -4.23 -0.54 -1.10 115.64 113.66 3bl9 s THR 281 Ca -0.01 -1.30 -0.31 0.00 -1.18 0.00 0.00 61.69 58.89 3bl9 s THR 281 Cb -0.20 -1.45 -0.13 0.00 1.34 0.00 0.00 72.50 72.06 3bl9 s THR 281 CO 0.02 0.10 1.57 0.00 -0.54 0.00 0.00 174.62 175.77 3bl9 n ALA 282 N 1.60 2.05 -0.14 3.99 0.00 -0.61 -0.10 120.51 127.30 3bl9 n ALA 282 Ca -0.18 0.40 0.07 0.00 0.00 0.00 0.00 53.44 53.73 3bl9 n ALA 282 Cb 0.53 -2.41 0.39 0.00 0.00 0.00 0.00 19.45 17.97 3bl9 n ALA 282 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3bl9 h LEU 283 N 5.25 0.57 -0.50 0.00 5.85 -1.00 -1.85 115.31 123.63 3bl9 h LEU 283 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3bl9 h LEU 283 Cb 1.24 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3bl9 h LEU 283 CO 0.83 0.37 0.00 0.61 -0.34 0.00 0.00 178.44 179.92 3bl9 n GLY 284 N -1.47 -1.17 3.65 3.75 0.00 -1.26 -4.69 105.19 104.00 3bl9 n GLY 284 Ca 0.09 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3bl9 n GLY 284 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bl9 s PHE 285 N -3.22 3.35 -1.20 1.61 5.99 -0.70 -4.98 117.98 118.82 3bl9 s PHE 285 Ca 0.05 0.74 -0.20 0.00 0.00 0.00 0.00 56.93 57.52 3bl9 s PHE 285 Cb 0.09 -2.68 -0.03 0.00 0.00 0.00 0.00 43.02 40.40 3bl9 s PHE 285 CO 0.34 -0.14 1.89 0.39 -0.00 0.00 0.00 175.22 177.70 3bl9 n GLU 286 N 4.96 2.30 -1.81 10.12 1.02 -1.26 -4.83 120.64 131.13 3bl9 n GLU 286 Ca -0.05 -2.70 -0.30 0.00 -0.02 0.00 0.00 57.16 54.09 3bl9 n GLU 286 Cb 0.50 -3.50 0.04 0.00 -0.02 0.00 0.00 31.44 28.46 3bl9 n GLU 286 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bl9 s ALA 287 N 7.00 2.86 0.16 0.62 0.00 -1.26 -4.95 121.76 126.19 3bl9 s ALA 287 Ca 0.60 -0.21 -0.32 0.00 0.00 0.00 0.00 51.96 52.02 3bl9 s ALA 287 Cb 0.04 -3.07 -0.12 0.00 0.00 0.00 0.00 23.12 19.98 3bl9 s ALA 287 CO 0.09 -1.08 1.72 -2.30 0.00 0.00 0.00 175.76 174.19 3bl9 n PRO 288 N -2.99 2.58 -2.47 0.00 -0.02 -1.26 -2.22 135.00 128.61 3bl9 n PRO 288 Ca 0.07 0.93 -0.21 0.00 -2.02 0.00 0.00 63.50 62.27 3bl9 n PRO 288 Cb 0.56 -2.77 -0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3bl9 n PRO 288 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bl9 n GLY 289 N 3.90 -0.49 0.36 -1.23 0.00 -1.26 -4.88 105.19 101.60 3bl9 n GLY 289 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3bl9 n GLY 289 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bl9 n SER 290 N -2.01 1.12 -4.78 1.61 3.41 -0.94 -3.23 113.62 108.79 3bl9 n SER 290 Ca -0.23 -1.47 -0.34 0.00 -0.26 0.00 0.00 58.87 56.58 3bl9 n SER 290 Cb 0.68 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.62 3bl9 n SER 290 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3bl9 s GLY 291 N -1.82 2.32 0.54 5.00 0.00 -1.26 -4.67 107.32 107.43 3bl9 s GLY 291 Ca 0.37 0.60 0.26 0.00 0.00 0.00 0.00 44.72 45.94 3bl9 s GLY 291 CO 0.30 0.94 2.01 -0.24 0.00 0.00 0.00 173.10 176.12 3bl9 h VAL 292 N 0.60 0.67 0.00 1.40 3.04 -1.91 -0.37 116.25 119.68 3bl9 h VAL 292 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3bl9 h VAL 292 Cb 1.24 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 3bl9 h VAL 292 CO 0.56 0.00 0.00 -1.84 -1.01 0.00 0.00 177.57 175.28 3bl9 n GLU 293 N -4.23 0.63 0.00 4.17 0.00 -1.26 -4.04 120.64 115.90 3bl9 n GLU 293 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.25 3bl9 n GLU 293 Cb 0.54 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.48 3bl9 n GLU 293 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3bl9 n ARG 294 N -1.14 1.08 -3.31 3.44 0.63 -0.40 -4.10 116.66 112.86 3bl9 n ARG 294 Ca 0.17 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.71 3bl9 n ARG 294 Cb 0.16 -0.74 -0.06 0.00 0.45 0.00 0.00 32.46 32.27 3bl9 n ARG 294 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3bl9 s ALA 295 N -1.48 3.59 -0.16 5.13 0.00 -0.29 -0.86 121.76 127.70 3bl9 s ALA 295 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 3bl9 s ALA 295 Cb 0.00 -2.61 0.04 0.00 0.00 0.00 0.00 23.12 20.55 3bl9 s ALA 295 CO 0.00 0.37 -0.06 -1.01 0.00 0.00 0.00 175.76 175.06 3bl9 s HIS 296 N -0.94 1.75 0.19 0.00 3.76 -0.13 -4.77 115.29 115.15 3bl9 s HIS 296 Ca 0.28 -1.10 -0.31 0.00 -0.15 0.00 0.00 55.06 53.78 3bl9 s HIS 296 Cb -0.19 -1.34 -0.10 0.00 1.11 0.00 0.00 32.58 32.07 3bl9 s HIS 296 CO 0.18 -0.62 1.51 -0.51 -0.85 0.00 0.00 174.74 174.45 3bl9 s LEU 297 N 1.62 4.37 0.23 0.89 1.43 -1.26 -0.76 118.68 125.20 3bl9 s LEU 297 Ca 0.01 2.62 -0.06 0.00 -1.03 0.00 0.00 54.13 55.67 3bl9 s LEU 297 Cb -0.15 -3.60 0.37 0.00 0.03 0.00 0.00 46.19 42.84 3bl9 s LEU 297 CO -0.08 -0.77 1.77 0.25 0.23 0.00 0.00 176.35 177.75 3bl9 h LEU 298 N 6.13 0.46 -1.28 1.79 5.85 -1.39 -0.64 115.31 126.23 3bl9 h LEU 298 Ca -0.44 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.40 3bl9 h LEU 298 Cb 1.21 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 3bl9 h LEU 298 CO 0.86 0.25 0.52 0.00 -0.34 0.00 0.00 178.44 179.73 3bl9 h ALA 299 N 1.46 1.59 0.00 1.25 0.00 -1.91 -1.33 119.26 120.33 3bl9 h ALA 299 Ca 0.37 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 55.03 3bl9 h ALA 299 Cb 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3bl9 h ALA 299 CO -0.29 0.31 -0.94 0.93 0.00 0.00 0.00 179.25 179.26 3bl9 h GLU 300 N 0.90 0.37 -0.39 0.00 5.08 -1.72 -1.84 114.58 116.98 3bl9 h GLU 300 Ca 0.33 -0.40 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3bl9 h GLU 300 Cb 0.16 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3bl9 h GLU 300 CO -0.11 1.08 0.21 0.28 -1.00 0.00 0.00 179.01 179.47 3bl9 h VAL 301 N 0.21 1.00 0.35 3.13 2.07 -0.61 0.15 116.25 122.54 3bl9 h VAL 301 Ca -0.07 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3bl9 h VAL 301 Cb 1.57 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3bl9 h VAL 301 CO 0.16 0.08 -0.23 0.40 0.02 0.00 0.00 177.57 177.99 3bl9 h ILE 302 N 0.42 0.51 -0.52 4.57 2.04 -1.24 -1.88 117.51 121.41 3bl9 h ILE 302 Ca 0.16 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 3bl9 h ILE 302 Cb 0.05 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3bl9 h ILE 302 CO -0.10 0.00 0.23 -0.33 0.00 0.00 0.00 178.15 177.95 3bl9 h GLU 303 N -0.57 0.73 -0.43 2.37 5.08 -1.20 -0.84 114.58 119.73 3bl9 h GLU 303 Ca -0.03 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3bl9 h GLU 303 Cb 0.48 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3bl9 h GLU 303 CO 0.02 0.58 0.22 -0.91 -1.00 0.00 0.00 179.01 177.92 3bl9 h ASN 304 N 0.73 0.54 -0.33 1.42 2.35 -0.55 -0.79 115.58 118.96 3bl9 h ASN 304 Ca 0.18 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 3bl9 h ASN 304 Cb 0.10 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3bl9 h ASN 304 CO -0.02 0.50 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.17 3bl9 h LEU 305 N 0.55 0.66 -0.75 1.61 3.38 -0.81 0.99 115.31 120.95 3bl9 h LEU 305 Ca 0.15 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3bl9 h LEU 305 Cb 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3bl9 h LEU 305 CO -0.02 0.74 -0.28 -0.33 0.09 0.00 0.00 178.44 178.64 3bl9 h GLU 306 N 0.65 0.64 0.09 1.13 5.08 -0.82 -3.12 114.58 118.23 3bl9 h GLU 306 Ca 0.13 -0.27 -0.26 0.00 -1.00 0.00 0.00 59.36 57.96 3bl9 h GLU 306 Cb 0.42 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3bl9 h GLU 306 CO 0.02 0.85 -1.21 0.00 -1.00 0.00 0.00 179.01 177.67 3bl9 s ASP 308 N -6.99 1.49 0.47 0.00 2.15 0.32 -5.05 116.67 109.05 3bl9 s ASP 308 Ca -0.03 -0.56 0.24 0.00 0.43 0.00 0.00 52.55 52.63 3bl9 s ASP 308 Cb 0.08 0.54 1.26 0.00 -0.30 0.00 0.00 42.92 44.50 3bl9 s ASP 308 CO 0.86 -0.37 1.85 -0.65 -0.17 0.00 0.00 175.17 176.70 3bl9 h PRO 309 N 8.26 0.22 -0.63 4.34 0.11 -1.78 -0.95 132.00 141.56 3bl9 h PRO 309 Ca -0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3bl9 h PRO 309 Cb 1.10 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3bl9 h PRO 309 CO 0.32 0.15 0.00 0.54 -0.21 0.00 0.00 178.00 178.80 3bl9 n ARG 310 N -4.42 2.47 -0.35 1.05 1.74 -1.26 -4.37 116.66 111.52 3bl9 n ARG 310 Ca 0.20 -2.28 -0.03 0.00 -0.77 0.00 0.00 57.85 54.98 3bl9 n ARG 310 Cb 0.86 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.83 3bl9 n ARG 310 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3bl9 h HIS 311 N 3.70 -1.13 -0.00 -1.55 2.76 -1.47 0.26 115.15 117.72 3bl9 h HIS 311 Ca 0.00 0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3bl9 h HIS 311 Cb 0.85 0.63 0.00 0.00 1.55 0.00 0.00 27.41 30.44 3bl9 h HIS 311 CO 0.43 -0.40 -0.10 0.66 -1.30 0.00 0.00 177.93 177.22 3bl9 n TYR 312 N -5.45 0.00 -0.01 5.26 4.02 -1.26 -1.27 117.16 118.44 3bl9 n TYR 312 Ca 0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.85 3bl9 n TYR 312 Cb 0.38 -0.38 -0.14 0.00 -0.02 0.00 0.00 39.34 39.19 3bl9 n TYR 312 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3bl9 n GLN 313 N -1.39 0.67 -0.03 -0.72 3.00 -0.43 -4.49 117.38 113.99 3bl9 n GLN 313 Ca 0.09 0.29 -0.18 0.00 -0.01 0.00 0.00 57.00 57.19 3bl9 n GLN 313 Cb 0.31 -1.77 -0.14 0.00 0.00 0.00 0.00 30.24 28.64 3bl9 n GLN 313 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 3bl9 n GLN 314 N -3.17 0.72 -2.60 -1.09 7.27 -0.05 -4.26 117.38 114.19 3bl9 n GLN 314 Ca -0.21 0.24 -0.32 0.00 0.07 0.00 0.00 57.00 56.78 3bl9 n GLN 314 Cb 1.05 -1.68 -0.05 0.00 2.41 0.00 0.00 30.24 31.97 3bl9 n GLN 314 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3bl9 s ARG 315 N -2.56 4.02 0.01 3.69 1.81 -0.40 -3.74 118.95 121.79 3bl9 s ARG 315 Ca -0.21 0.95 -0.30 0.00 -1.72 0.00 0.00 55.73 54.45 3bl9 s ARG 315 Cb 0.07 -2.19 -0.03 0.00 -0.45 0.00 0.00 34.95 32.35 3bl9 s ARG 315 CO 0.76 -0.15 0.97 0.99 -0.68 0.00 0.00 175.30 177.18 3bl9 s THR 316 N -2.43 4.84 -0.07 0.02 2.01 -1.26 -3.98 115.64 114.77 3bl9 s THR 316 Ca 0.59 2.05 -0.01 0.00 0.31 0.00 0.00 61.69 64.63 3bl9 s THR 316 Cb -0.10 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.07 3bl9 s THR 316 CO 0.25 0.18 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.57 3bl9 s LEU 317 N 0.92 3.43 -0.16 4.42 1.43 -0.40 -4.91 118.68 123.41 3bl9 s LEU 317 Ca 0.51 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.66 3bl9 s LEU 317 Cb -0.21 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3bl9 s LEU 317 CO 0.28 0.36 -0.06 -0.89 0.23 0.00 0.00 176.35 176.27 3bl9 s THR 318 N -0.88 3.55 0.17 5.49 2.01 -1.26 -0.64 115.64 124.08 3bl9 s THR 318 Ca 0.14 -0.47 -0.16 0.00 0.31 0.00 0.00 61.69 61.50 3bl9 s THR 318 Cb -0.11 -2.55 0.03 0.00 0.01 0.00 0.00 72.50 69.87 3bl9 s THR 318 CO 0.03 0.49 0.47 0.72 -0.69 0.00 0.00 174.62 175.63 3bl9 s PHE 319 N 0.60 -0.09 0.09 4.92 -0.12 -0.74 -4.60 117.98 118.04 3bl9 s PHE 319 Ca -0.04 -0.24 -0.13 0.00 -0.05 0.00 0.00 56.93 56.47 3bl9 s PHE 319 Cb -0.15 0.31 -0.06 0.00 -0.63 0.00 0.00 43.02 42.49 3bl9 s PHE 319 CO 0.03 -0.84 0.47 0.00 -0.05 0.00 0.00 175.22 174.82 3bl9 s ALA 320 N -3.86 3.66 0.08 1.99 0.00 -1.26 -0.51 121.76 121.86 3bl9 s ALA 320 Ca 0.08 -0.23 0.06 0.00 0.00 0.00 0.00 51.96 51.87 3bl9 s ALA 320 Cb 0.00 -2.41 -0.03 0.00 0.00 0.00 0.00 23.12 20.68 3bl9 s ALA 320 CO -0.05 0.50 -0.16 -0.51 0.00 0.00 0.00 175.76 175.54 3bl9 s LEU 321 N -1.74 2.29 0.40 0.00 1.43 0.62 -4.81 118.68 116.87 3bl9 s LEU 321 Ca 0.33 -0.65 -0.26 0.00 -1.03 0.00 0.00 54.13 52.53 3bl9 s LEU 321 Cb -0.15 -0.61 -0.09 0.00 0.03 0.00 0.00 46.19 45.37 3bl9 s LEU 321 CO 0.18 -0.05 1.21 -0.13 0.23 0.00 0.00 176.35 177.80 3bl9 s ARG 322 N -1.84 4.04 0.44 1.70 0.52 -1.26 -0.44 118.95 122.12 3bl9 s ARG 322 Ca 0.01 1.95 0.16 0.00 -0.52 0.00 0.00 55.73 57.33 3bl9 s ARG 322 Cb -0.10 -2.73 1.08 0.00 0.52 0.00 0.00 34.95 33.73 3bl9 s ARG 322 CO 0.03 -0.36 1.94 0.00 0.02 0.00 0.00 175.30 176.92 3bl9 h ALA 323 N 2.70 2.14 -0.27 2.13 0.00 -0.49 -1.03 119.26 124.43 3bl9 h ALA 323 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3bl9 h ALA 323 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3bl9 h ALA 323 CO 0.63 -0.32 0.00 -0.40 0.00 0.00 0.00 179.25 179.15 3bl9 n ASP 324 N -4.46 1.53 -4.66 0.00 5.75 -1.26 -4.86 116.55 108.58 3bl9 n ASP 324 Ca 0.13 -1.95 -0.42 0.00 -0.01 0.00 0.00 54.79 52.54 3bl9 n ASP 324 Cb 0.51 -0.18 -0.04 0.00 -1.03 0.00 0.00 41.12 40.38 3bl9 n ASP 324 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3bl9 s ASP 325 N -1.08 6.96 0.58 -1.12 -1.08 -0.39 -4.94 116.67 115.60 3bl9 s ASP 325 Ca 0.21 1.18 0.32 0.00 -0.52 0.00 0.00 52.55 53.75 3bl9 s ASP 325 Cb 0.11 -2.46 1.81 0.00 -1.46 0.00 0.00 42.92 40.92 3bl9 s ASP 325 CO 0.15 -0.45 2.21 1.55 0.52 0.00 0.00 175.17 179.15 3bl9 h PRO 326 N 7.40 0.00 -0.41 4.34 0.13 -1.89 -1.69 132.00 139.89 3bl9 h PRO 326 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 3bl9 h PRO 326 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3bl9 h PRO 326 CO 0.86 0.04 0.19 1.25 -0.23 0.00 0.00 178.00 180.10 3bl9 h LEU 327 N 0.00 0.51 -0.32 1.56 5.85 -1.94 -2.05 115.31 118.91 3bl9 h LEU 327 Ca -0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3bl9 h LEU 327 Cb 0.13 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3bl9 h LEU 327 CO 0.00 0.44 0.16 0.25 -0.34 0.00 0.00 178.44 178.96 3bl9 h LEU 328 N 0.57 0.41 -0.26 2.25 5.85 -1.62 -0.65 115.31 121.86 3bl9 h LEU 328 Ca 0.14 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3bl9 h LEU 328 Cb 0.08 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3bl9 h LEU 328 CO -0.02 0.41 0.14 0.50 -0.34 0.00 0.00 178.44 179.12 3bl9 h LYS 329 N 0.39 0.37 -0.74 1.25 3.64 -1.61 -0.89 116.57 118.97 3bl9 h LYS 329 Ca 0.11 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3bl9 h LYS 329 Cb 0.10 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 3bl9 h LYS 329 CO -0.02 0.34 0.44 -0.07 -2.27 0.00 0.00 179.45 177.88 3bl9 h LEU 330 N 0.30 0.69 -0.13 5.20 3.38 -1.09 -0.31 115.31 123.34 3bl9 h LEU 330 Ca 0.09 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3bl9 h LEU 330 Cb 0.09 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3bl9 h LEU 330 CO -0.01 0.45 -0.23 -0.07 0.09 0.00 0.00 178.44 178.67 3bl9 h LEU 331 N 0.83 0.44 -0.59 1.67 3.38 -1.02 -2.62 115.31 117.39 3bl9 h LEU 331 Ca 0.32 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.81 3bl9 h LEU 331 Cb 0.15 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3bl9 h LEU 331 CO -0.16 0.89 0.30 1.56 0.09 0.00 0.00 178.44 181.12 3bl9 h GLN 332 N -0.01 0.55 -0.69 1.13 4.20 -1.00 -2.21 115.11 117.08 3bl9 h GLN 332 Ca 0.01 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.75 3bl9 h GLN 332 Cb 0.81 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.41 3bl9 h GLN 332 CO 0.05 0.37 0.38 0.93 -0.67 0.00 0.00 178.83 179.89 3bl9 h GLU 333 N 0.57 0.68 -0.02 1.46 5.08 -1.07 -3.51 114.58 117.76 3bl9 h GLU 333 Ca 0.27 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3bl9 h GLU 333 Cb 0.19 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3bl9 h GLU 333 CO -0.19 0.45 0.00 0.00 -1.00 0.00 0.00 179.01 178.27