#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ml7 n THR 3 N -0.65 0.00 -4.28 0.00 -2.24 -1.26 -4.97 114.28 100.87 1ml7 n THR 3 Ca 0.03 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 1ml7 n THR 3 Cb 0.53 1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 1ml7 n THR 3 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ml7 s LYS 4 N -0.40 3.49 -0.87 -0.78 -0.14 -1.26 -5.03 119.74 114.74 1ml7 s LYS 4 Ca 0.00 -0.43 -0.16 0.00 -1.36 0.00 0.00 55.97 54.02 1ml7 s LYS 4 Cb 0.00 -2.95 0.18 0.00 -1.68 0.00 0.00 37.83 33.38 1ml7 s LYS 4 CO 0.00 0.43 0.93 1.21 -0.76 0.00 0.00 175.35 177.16 1ml7 s ASN 5 N -0.12 6.71 0.33 2.83 3.84 -1.26 -5.04 114.94 122.22 1ml7 s ASN 5 Ca 0.04 -2.41 -0.28 0.00 0.21 0.00 0.00 52.86 50.43 1ml7 s ASN 5 Cb -0.13 -2.29 -0.10 0.00 -0.55 0.00 0.00 41.25 38.18 1ml7 s ASN 5 CO 0.02 -0.79 1.23 0.00 -2.79 0.00 0.00 177.10 174.77 1ml7 s ALA 6 N 1.29 3.41 -0.20 1.71 0.00 -1.26 -5.00 121.76 121.71 1ml7 s ALA 6 Ca 0.25 1.12 -0.14 0.00 0.00 0.00 0.00 51.96 53.19 1ml7 s ALA 6 Cb -0.08 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1ml7 s ALA 6 CO -0.09 -0.51 0.30 0.42 0.00 0.00 0.00 175.76 175.88 1ml7 s ILE 7 N -1.19 5.27 0.61 0.00 -1.09 -1.26 -5.01 121.20 118.53 1ml7 s ILE 7 Ca 0.49 0.51 -0.17 0.00 -2.23 0.00 0.00 60.65 59.25 1ml7 s ILE 7 Cb -0.36 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 1ml7 s ILE 7 CO 0.48 0.31 1.13 0.00 -1.23 0.00 0.00 174.94 175.63 1ml7 s ALA 8 N 1.03 2.55 0.15 9.38 0.00 -1.26 -4.37 121.76 129.24 1ml7 s ALA 8 Ca 0.15 0.74 -0.34 0.00 0.00 0.00 0.00 51.96 52.50 1ml7 s ALA 8 Cb -0.14 -3.36 -0.14 0.00 0.00 0.00 0.00 23.12 19.48 1ml7 s ALA 8 CO 0.06 -1.08 1.52 0.94 0.00 0.00 0.00 175.76 177.19 1ml7 n GLN 9 N -1.87 1.93 -1.84 0.00 7.27 -0.11 -4.91 117.38 117.84 1ml7 n GLN 9 Ca 0.11 0.69 -0.42 0.00 0.07 0.00 0.00 57.00 57.46 1ml7 n GLN 9 Cb 0.51 -2.43 -0.02 0.00 2.41 0.00 0.00 30.24 30.70 1ml7 n GLN 9 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1ml7 s THR 10 N 0.79 2.29 -1.39 1.69 2.01 -1.26 -2.32 115.64 117.45 1ml7 s THR 10 Ca 0.80 0.23 0.00 0.00 0.31 0.00 0.00 61.69 63.02 1ml7 s THR 10 Cb -0.74 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 68.63 1ml7 s THR 10 CO 0.40 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 1ml7 n GLY 11 N 2.99 0.78 3.59 4.40 0.00 -1.26 -4.94 105.19 110.75 1ml7 n GLY 11 Ca 0.11 -0.33 -0.50 0.00 0.00 0.00 0.00 46.02 45.30 1ml7 n GLY 11 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ml7 n PHE 12 N -3.17 1.45 -3.38 1.61 7.35 -0.98 -4.91 117.46 115.42 1ml7 n PHE 12 Ca -0.15 0.64 -0.45 0.00 -0.76 0.00 0.00 57.45 56.73 1ml7 n PHE 12 Cb 0.53 -2.32 -0.04 0.00 0.35 0.00 0.00 39.48 38.00 1ml7 n PHE 12 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1ml7 s ASN 13 N 0.27 6.33 0.19 -2.13 3.84 -1.26 -4.95 114.94 117.23 1ml7 s ASN 13 Ca 0.79 -2.34 -0.10 0.00 0.21 0.00 0.00 52.86 51.41 1ml7 s ASN 13 Cb -0.89 -2.16 0.10 0.00 -0.55 0.00 0.00 41.25 37.75 1ml7 s ASN 13 CO 0.49 -0.66 1.74 0.07 -2.79 0.00 0.00 177.10 175.95 1ml7 h LYS 14 N 8.13 1.02 -0.01 0.43 2.10 -2.00 -2.55 116.57 123.70 1ml7 h LYS 14 Ca -0.07 -0.20 -0.08 0.00 -2.00 0.00 0.00 60.65 58.31 1ml7 h LYS 14 Cb 1.05 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 32.21 1ml7 h LYS 14 CO 0.85 0.86 -0.37 -0.44 -2.00 0.00 0.00 179.45 178.35 1ml7 h ASP 15 N 0.96 0.01 -0.17 7.07 5.19 -1.92 0.38 116.42 127.94 1ml7 h ASP 15 Ca 0.22 -0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.45 1ml7 h ASP 15 Cb 0.24 -0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.75 1ml7 h ASP 15 CO -0.01 0.39 -0.58 0.11 -3.12 0.00 0.00 179.24 176.02 1ml7 h LYS 16 N 0.01 0.70 0.04 3.56 1.57 -1.95 -3.20 116.57 117.30 1ml7 h LYS 16 Ca -0.00 -0.52 -0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1ml7 h LYS 16 Cb 0.67 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1ml7 h LYS 16 CO 0.05 1.14 -0.02 -0.92 -0.57 0.00 0.00 179.45 179.13 1ml7 h TYR 17 N 0.40 -0.05 -0.96 -1.35 3.20 -1.22 -3.31 116.97 113.69 1ml7 h TYR 17 Ca -0.02 -0.00 -0.69 0.00 3.14 0.00 0.00 58.73 61.16 1ml7 h TYR 17 Cb 1.21 0.02 -0.11 0.00 1.54 0.00 0.00 36.73 39.38 1ml7 h TYR 17 CO 0.09 0.38 2.30 1.19 -1.64 0.00 0.00 178.16 180.48 1ml7 n PHE 18 N -4.91 2.39 -0.32 -3.82 3.72 0.10 -4.61 117.46 110.01 1ml7 n PHE 18 Ca -0.08 -2.72 0.10 0.00 -0.05 0.00 0.00 57.45 54.70 1ml7 n PHE 18 Cb 0.23 -1.86 0.28 0.00 -0.94 0.00 0.00 39.48 37.19 1ml7 n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1ml7 n ASN 19 N 1.89 3.69 0.00 4.37 6.94 -1.11 -3.76 115.26 127.28 1ml7 n ASN 19 Ca 0.63 -2.01 0.00 0.00 -0.02 0.00 0.00 54.58 53.18 1ml7 n ASN 19 Cb 0.30 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 1ml7 n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ml7 n GLY 20 N 1.33 0.99 4.00 4.83 0.00 0.59 -4.96 105.19 111.97 1ml7 n GLY 20 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1ml7 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ml7 s ASP 21 N -2.94 4.49 -0.02 1.61 2.15 -1.25 -4.65 116.67 116.06 1ml7 s ASP 21 Ca 0.00 -0.49 -0.10 0.00 0.43 0.00 0.00 52.55 52.39 1ml7 s ASP 21 Cb 0.00 0.09 -0.05 0.00 -0.30 0.00 0.00 42.92 42.66 1ml7 s ASP 21 CO 0.00 -1.77 0.29 -0.69 -0.17 0.00 0.00 175.17 172.84 1ml7 s VAL 22 N -3.04 5.25 -0.11 1.11 1.01 -1.26 -2.84 120.40 120.51 1ml7 s VAL 22 Ca 0.66 0.42 0.03 0.00 0.00 0.00 0.00 61.98 63.09 1ml7 s VAL 22 Cb -0.05 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1ml7 s VAL 22 CO 0.43 0.49 -0.20 0.26 0.00 0.00 0.00 175.10 176.09 1ml7 s TRP 23 N -1.17 2.65 -0.15 5.22 0.52 0.84 -4.61 118.94 122.23 1ml7 s TRP 23 Ca 0.24 -0.84 -0.08 0.00 0.02 0.00 0.00 56.10 55.43 1ml7 s TRP 23 Cb -0.14 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.39 1ml7 s TRP 23 CO 0.12 -0.31 0.13 0.71 0.02 0.00 0.00 176.95 177.62 1ml7 s TYR 24 N 0.26 3.51 -0.15 -1.98 2.02 -0.04 -0.86 117.35 120.11 1ml7 s TYR 24 Ca -0.14 0.43 -0.29 0.00 -0.37 0.00 0.00 57.07 56.70 1ml7 s TYR 24 Cb -0.17 -2.02 -0.02 0.00 -0.40 0.00 0.00 41.96 39.36 1ml7 s TYR 24 CO 0.07 0.55 1.21 0.08 -1.57 0.00 0.00 175.55 175.90 1ml7 s VAL 25 N -0.49 4.34 -0.11 0.71 1.01 -0.44 -1.04 120.40 124.38 1ml7 s VAL 25 Ca 0.12 1.63 0.19 0.00 0.00 0.00 0.00 61.98 63.92 1ml7 s VAL 25 Cb -0.12 -4.05 -0.27 0.00 0.00 0.00 0.00 36.38 31.94 1ml7 s VAL 25 CO 0.02 -0.11 0.26 0.35 0.00 0.00 0.00 175.10 175.62 1ml7 n THR 26 N 5.16 0.65 -3.70 3.92 -2.24 0.10 -4.67 114.28 113.49 1ml7 n THR 26 Ca 0.13 -0.63 -0.14 0.00 -2.27 0.00 0.00 64.05 61.14 1ml7 n THR 26 Cb 0.45 -0.23 -0.09 0.00 -2.10 0.00 0.00 70.33 68.37 1ml7 n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ml7 s ASP 27 N -4.83 -0.39 0.06 3.42 1.11 -1.18 -1.04 116.67 113.83 1ml7 s ASP 27 Ca -0.08 0.54 -0.04 0.00 0.18 0.00 0.00 52.55 53.15 1ml7 s ASP 27 Cb 0.09 0.61 -0.02 0.00 1.07 0.00 0.00 42.92 44.67 1ml7 s ASP 27 CO 0.81 -0.35 0.05 -0.72 1.18 0.00 0.00 175.17 176.14 1ml7 s TYR 28 N -0.63 0.37 -0.17 4.23 1.13 -0.18 -0.69 117.35 121.40 1ml7 s TYR 28 Ca -0.07 -0.84 -0.03 0.00 -1.41 0.00 0.00 57.07 54.72 1ml7 s TYR 28 Cb -0.03 -0.26 0.06 0.00 -1.10 0.00 0.00 41.96 40.62 1ml7 s TYR 28 CO 0.04 -0.41 0.04 -1.17 -2.51 0.00 0.00 175.55 171.53 1ml7 s LEU 29 N -2.72 0.97 -0.33 -3.49 2.96 -0.17 -0.53 118.68 115.37 1ml7 s LEU 29 Ca 0.04 -0.69 -0.16 0.00 -0.22 0.00 0.00 54.13 53.10 1ml7 s LEU 29 Cb 0.05 -0.52 -0.02 0.00 0.50 0.00 0.00 46.19 46.21 1ml7 s LEU 29 CO -0.09 -0.30 0.40 1.51 -1.32 0.00 0.00 176.35 176.55 1ml7 s ASP 30 N 1.92 6.23 0.19 3.68 -4.77 -1.26 -0.62 116.67 122.04 1ml7 s ASP 30 Ca 0.00 -0.04 0.25 0.00 -3.30 0.00 0.00 52.55 49.46 1ml7 s ASP 30 Cb -0.16 -2.22 0.90 0.00 -1.09 0.00 0.00 42.92 40.34 1ml7 s ASP 30 CO -0.08 -0.34 1.76 0.18 0.70 0.00 0.00 175.17 177.40 1ml7 n LEU 31 N 5.46 0.65 -3.63 2.11 4.77 -0.20 -3.65 117.00 122.52 1ml7 n LEU 31 Ca -0.08 0.59 -0.27 0.00 -0.03 0.00 0.00 56.01 56.22 1ml7 n LEU 31 Cb 0.50 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1ml7 n LEU 31 CO 0.41 -0.26 -0.00 1.21 -1.33 0.00 0.00 177.39 177.41 1ml7 n GLU 32 N -2.14 2.06 -1.41 3.23 2.13 -1.26 -4.95 120.64 118.29 1ml7 n GLU 32 Ca 0.05 -4.48 -0.36 0.00 0.66 0.00 0.00 57.16 53.03 1ml7 n GLU 32 Cb 0.36 -2.21 0.08 0.00 0.27 0.00 0.00 31.44 29.93 1ml7 n GLU 32 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1ml7 n PRO 33 N 1.44 0.57 -1.00 5.31 -0.02 -1.24 -1.16 135.00 138.90 1ml7 n PRO 33 Ca 0.25 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1ml7 n PRO 33 Cb 0.39 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1ml7 n PRO 33 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ml7 n ASP 34 N -1.26 -1.23 -0.19 2.55 8.00 -1.26 -4.87 116.55 118.29 1ml7 n ASP 34 Ca 0.13 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.55 1ml7 n ASP 34 Cb 0.49 -0.23 0.02 0.00 -0.02 0.00 0.00 41.12 41.38 1ml7 n ASP 34 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1ml7 h ASP 35 N 0.00 0.74 -4.14 -2.24 3.32 -1.54 -3.47 116.42 109.10 1ml7 h ASP 35 Ca 0.00 -0.16 -0.35 0.00 0.02 0.00 0.00 57.03 56.54 1ml7 h ASP 35 Cb 0.00 -0.19 -0.17 0.00 0.22 0.00 0.00 39.33 39.19 1ml7 h ASP 35 CO 0.00 0.69 -0.74 0.68 -1.72 0.00 0.00 179.24 178.16 1ml7 s VAL 36 N -5.61 1.14 0.57 -1.35 -7.23 -1.26 -5.12 120.40 101.54 1ml7 s VAL 36 Ca -0.13 -1.79 -0.19 0.00 -1.81 0.00 0.00 61.98 58.06 1ml7 s VAL 36 Cb 0.12 -1.55 -0.05 0.00 0.56 0.00 0.00 36.38 35.46 1ml7 s VAL 36 CO 0.78 -0.56 1.17 -2.84 -0.31 0.00 0.00 175.10 173.34 1ml7 s PRO 37 N -3.02 3.18 0.26 4.82 0.02 -1.26 -4.97 135.00 134.03 1ml7 s PRO 37 Ca 0.10 1.71 -0.01 0.00 0.02 0.00 0.00 61.00 62.82 1ml7 s PRO 37 Cb -0.02 -1.97 0.32 0.00 0.02 0.00 0.00 34.50 32.85 1ml7 s PRO 37 CO 0.01 -1.02 1.71 1.57 -0.33 0.00 0.00 177.00 178.95 1ml7 h LYS 38 N 1.05 0.67 -5.02 5.54 2.10 -2.02 -3.40 116.57 115.49 1ml7 h LYS 38 Ca -0.50 -0.23 -0.64 0.00 -2.00 0.00 0.00 60.65 57.28 1ml7 h LYS 38 Cb 1.28 -0.05 -0.16 0.00 -0.90 0.00 0.00 32.23 32.40 1ml7 h LYS 38 CO 0.56 0.79 -0.36 1.03 -2.00 0.00 0.00 179.45 179.48 1ml7 s ARG 39 N -4.69 3.92 0.06 0.07 1.81 -1.26 -4.94 118.95 113.93 1ml7 s ARG 39 Ca -0.08 -0.17 -0.26 0.00 -1.72 0.00 0.00 55.73 53.49 1ml7 s ARG 39 Cb 0.14 -3.68 0.08 0.00 -0.45 0.00 0.00 34.95 31.04 1ml7 s ARG 39 CO 0.81 -0.28 0.69 -0.47 -0.68 0.00 0.00 175.30 175.38 1ml7 s TYR 40 N 1.93 -0.52 -0.03 -0.53 6.14 -1.26 -4.45 117.35 118.64 1ml7 s TYR 40 Ca 0.11 0.50 0.03 0.00 0.64 0.00 0.00 57.07 58.36 1ml7 s TYR 40 Cb -0.16 0.52 -0.00 0.00 0.42 0.00 0.00 41.96 42.74 1ml7 s TYR 40 CO 0.11 -0.71 -0.12 0.00 0.64 0.00 0.00 175.55 175.46 1ml7 s ALA 42 N 0.05 -0.87 0.16 0.00 0.00 -1.26 -1.07 121.76 118.77 1ml7 s ALA 42 Ca -0.02 0.36 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 1ml7 s ALA 42 Cb -0.09 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1ml7 s ALA 42 CO 0.01 -0.30 0.43 0.00 0.00 0.00 0.00 175.76 175.89 1ml7 s ALA 43 N -1.57 -0.77 0.10 0.00 0.00 -0.77 -1.33 121.76 117.42 1ml7 s ALA 43 Ca -0.12 -0.26 -0.08 0.00 0.00 0.00 0.00 51.96 51.51 1ml7 s ALA 43 Cb -0.04 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1ml7 s ALA 43 CO 0.03 -0.71 0.19 -0.48 0.00 0.00 0.00 175.76 174.79 1ml7 s LEU 44 N -2.86 1.42 0.12 0.00 0.05 -0.04 -1.03 118.68 116.34 1ml7 s LEU 44 Ca 0.08 -0.76 0.09 0.00 0.05 0.00 0.00 54.13 53.59 1ml7 s LEU 44 Cb 0.01 0.96 -0.04 0.00 -2.05 0.00 0.00 46.19 45.07 1ml7 s LEU 44 CO -0.06 -0.76 -0.18 0.00 -0.55 0.00 0.00 176.35 174.80 1ml7 s ALA 45 N -3.90 2.69 -0.03 1.48 0.00 0.16 -0.11 121.76 122.05 1ml7 s ALA 45 Ca 0.09 -1.35 -0.00 0.00 0.00 0.00 0.00 51.96 50.69 1ml7 s ALA 45 Cb 0.05 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.55 1ml7 s ALA 45 CO -0.08 0.59 0.03 0.00 0.00 0.00 0.00 175.76 176.31 1ml7 s ALA 46 N -1.15 0.14 0.07 0.00 0.00 -1.13 -1.08 121.76 118.60 1ml7 s ALA 46 Ca 0.18 0.27 -0.27 0.00 0.00 0.00 0.00 51.96 52.14 1ml7 s ALA 46 Cb -0.11 -0.35 0.09 0.00 0.00 0.00 0.00 23.12 22.76 1ml7 s ALA 46 CO 0.10 -0.20 1.16 0.20 0.00 0.00 0.00 175.76 177.02 1ml7 s GLY 47 N 1.34 -0.19 -0.18 0.00 0.00 -0.55 -0.30 107.32 107.43 1ml7 s GLY 47 Ca -0.06 0.19 -0.10 0.00 0.00 0.00 0.00 44.72 44.76 1ml7 s GLY 47 CO -0.03 1.77 0.15 -1.59 0.00 0.00 0.00 173.10 173.40 1ml7 s THR 48 N -2.46 5.41 -0.16 0.90 2.01 -1.25 -0.50 115.64 119.59 1ml7 s THR 48 Ca 0.19 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.42 1ml7 s THR 48 Cb 0.01 -3.48 0.03 0.00 0.01 0.00 0.00 72.50 69.07 1ml7 s THR 48 CO 0.00 0.46 -0.10 0.00 -0.69 0.00 0.00 174.62 174.30 1ml7 s ALA 49 N 0.14 1.74 -1.54 7.40 0.00 -0.02 -4.77 121.76 124.71 1ml7 s ALA 49 Ca 0.10 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 1ml7 s ALA 49 Cb -0.11 -1.13 0.07 0.00 0.00 0.00 0.00 23.12 21.95 1ml7 s ALA 49 CO -0.00 -0.62 0.58 0.45 0.00 0.00 0.00 175.76 176.17 1ml7 n SER 50 N 4.79 -1.73 0.00 0.00 2.88 -1.26 -1.35 113.62 116.95 1ml7 n SER 50 Ca -0.14 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.39 1ml7 n SER 50 Cb 0.48 -2.92 0.00 0.00 -0.75 0.00 0.00 64.21 61.02 1ml7 n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ml7 n GLY 51 N -1.76 1.29 3.58 0.46 0.00 -1.26 -5.02 105.19 102.49 1ml7 n GLY 51 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1ml7 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ml7 s LYS 52 N -0.47 3.59 -0.07 1.61 -0.14 -0.46 -5.08 119.74 118.72 1ml7 s LYS 52 Ca 0.00 -0.44 -0.30 0.00 -1.36 0.00 0.00 55.97 53.87 1ml7 s LYS 52 Cb 0.00 -2.97 -0.02 0.00 -1.68 0.00 0.00 37.83 33.16 1ml7 s LYS 52 CO 0.00 0.37 1.08 -1.17 -0.76 0.00 0.00 175.35 174.87 1ml7 s LEU 53 N 0.05 4.28 0.06 3.17 2.96 -1.26 -0.84 118.68 127.09 1ml7 s LEU 53 Ca 0.02 1.67 0.02 0.00 -0.22 0.00 0.00 54.13 55.62 1ml7 s LEU 53 Cb -0.13 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1ml7 s LEU 53 CO 0.02 -0.48 -0.07 -0.54 -1.32 0.00 0.00 176.35 173.96 1ml7 s LYS 54 N 1.94 0.65 0.04 1.98 -0.14 0.34 -0.80 119.74 123.76 1ml7 s LYS 54 Ca 0.52 -0.99 0.04 0.00 -1.36 0.00 0.00 55.97 54.17 1ml7 s LYS 54 Cb -0.21 -0.26 -0.02 0.00 -1.68 0.00 0.00 37.83 35.65 1ml7 s LYS 54 CO 0.21 0.02 -0.11 -1.21 -0.76 0.00 0.00 175.35 173.50 1ml7 s GLU 55 N -2.49 0.70 -0.06 1.68 2.02 -0.60 -1.49 118.70 118.46 1ml7 s GLU 55 Ca -0.01 -0.75 0.06 0.00 0.02 0.00 0.00 54.97 54.29 1ml7 s GLU 55 Cb -0.04 -0.62 -0.01 0.00 0.10 0.00 0.00 34.13 33.56 1ml7 s GLU 55 CO -0.02 0.14 -0.24 0.00 0.02 0.00 0.00 175.26 175.16 1ml7 s ALA 56 N -1.08 2.19 0.12 5.21 0.00 -0.24 -0.61 121.76 127.34 1ml7 s ALA 56 Ca -0.04 -1.04 0.10 0.00 0.00 0.00 0.00 51.96 50.98 1ml7 s ALA 56 Cb -0.09 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 1ml7 s ALA 56 CO 0.01 0.41 -0.23 -0.51 0.00 0.00 0.00 175.76 175.45 1ml7 s LEU 57 N -0.16 2.49 -0.04 0.00 1.43 0.38 -0.67 118.68 122.11 1ml7 s LEU 57 Ca -0.04 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1ml7 s LEU 57 Cb -0.14 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.72 1ml7 s LEU 57 CO 0.04 0.19 -0.06 -0.47 0.23 0.00 0.00 176.35 176.28 1ml7 s TYR 58 N -1.07 0.83 -0.02 0.29 5.04 -0.20 -1.50 117.35 120.72 1ml7 s TYR 58 Ca 0.16 -0.24 0.06 0.00 -2.44 0.00 0.00 57.07 54.61 1ml7 s TYR 58 Cb -0.10 -0.69 -0.01 0.00 0.35 0.00 0.00 41.96 41.51 1ml7 s TYR 58 CO 0.07 -0.18 -0.20 -1.01 -1.34 0.00 0.00 175.55 172.89 1ml7 s HIS 59 N 0.74 1.87 -0.12 4.97 3.76 -0.33 -1.84 115.29 124.34 1ml7 s HIS 59 Ca -0.11 -0.40 -0.05 0.00 -0.15 0.00 0.00 55.06 54.35 1ml7 s HIS 59 Cb -0.13 -1.21 0.05 0.00 1.11 0.00 0.00 32.58 32.40 1ml7 s HIS 59 CO 0.01 -0.07 0.26 -0.47 -0.85 0.00 0.00 174.74 173.61 1ml7 s TYR 60 N -0.36 -0.37 -0.40 1.40 5.04 -0.23 -1.88 117.35 120.53 1ml7 s TYR 60 Ca 0.05 0.87 -0.21 0.00 -2.44 0.00 0.00 57.07 55.34 1ml7 s TYR 60 Cb -0.09 0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.25 1ml7 s TYR 60 CO 0.00 -0.28 0.66 0.34 -1.34 0.00 0.00 175.55 174.93 1ml7 s ASP 61 N 1.72 6.38 0.00 4.32 -1.08 -0.22 -0.93 116.67 126.86 1ml7 s ASP 61 Ca -0.05 -0.09 0.18 0.00 -0.52 0.00 0.00 52.55 52.06 1ml7 s ASP 61 Cb -0.11 -2.33 0.86 0.00 -1.46 0.00 0.00 42.92 39.88 1ml7 s ASP 61 CO -0.09 -0.72 1.54 -0.81 0.52 0.00 0.00 175.17 175.61 1ml7 n PRO 62 N 6.25 0.19 -0.13 4.34 -0.04 -1.26 -0.49 135.00 143.86 1ml7 n PRO 62 Ca -0.01 0.14 -0.26 0.00 -0.04 0.00 0.00 63.50 63.33 1ml7 n PRO 62 Cb 0.48 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.35 1ml7 n PRO 62 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ml7 n LYS 63 N -1.34 0.54 0.14 0.54 4.76 -1.26 -4.62 118.16 116.93 1ml7 n LYS 63 Ca 0.07 0.23 0.12 0.00 -2.87 0.00 0.00 58.31 55.86 1ml7 n LYS 63 Cb 0.16 -1.41 0.11 0.00 -1.84 0.00 0.00 35.03 32.05 1ml7 n LYS 63 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1ml7 h THR 64 N -0.81 0.00 0.00 -0.18 1.35 -1.96 -3.47 112.91 107.84 1ml7 h THR 64 Ca -0.63 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 1ml7 h THR 64 Cb 1.59 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 1ml7 h THR 64 CO -0.36 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 174.91 1ml7 n GLN 65 N -2.74 -0.61 -1.67 4.72 1.13 0.36 -4.99 117.38 113.57 1ml7 n GLN 65 Ca 0.02 0.15 -0.45 0.00 -1.94 0.00 0.00 57.00 54.78 1ml7 n GLN 65 Cb 0.52 -3.64 -0.04 0.00 0.11 0.00 0.00 30.24 27.20 1ml7 n GLN 65 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1ml7 n ASP 66 N -0.31 3.04 -3.83 1.08 2.03 -1.25 -4.73 116.55 112.59 1ml7 n ASP 66 Ca 0.00 1.10 -0.13 0.00 0.52 0.00 0.00 54.79 56.29 1ml7 n ASP 66 Cb 0.15 -1.44 -0.14 0.00 -0.72 0.00 0.00 41.12 38.97 1ml7 n ASP 66 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1ml7 s THR 67 N 0.55 -0.02 -0.08 5.18 2.01 -1.26 -1.06 115.64 120.97 1ml7 s THR 67 Ca 0.74 0.07 -0.25 0.00 0.31 0.00 0.00 61.69 62.56 1ml7 s THR 67 Cb -0.66 -0.06 0.06 0.00 0.01 0.00 0.00 72.50 71.85 1ml7 s THR 67 CO 0.42 0.03 0.58 0.72 -0.69 0.00 0.00 174.62 175.68 1ml7 s PHE 68 N 0.35 -0.55 0.15 4.92 -0.71 -0.79 -5.01 117.98 116.34 1ml7 s PHE 68 Ca -0.03 1.04 0.07 0.00 -1.04 0.00 0.00 56.93 56.97 1ml7 s PHE 68 Cb -0.04 0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 42.03 1ml7 s PHE 68 CO -0.01 -0.50 -0.02 0.71 -1.34 0.00 0.00 175.22 174.06 1ml7 s TYR 69 N -0.91 2.83 0.04 3.49 1.51 -1.24 -1.18 117.35 121.90 1ml7 s TYR 69 Ca -0.09 -0.13 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1ml7 s TYR 69 Cb -0.02 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.40 1ml7 s TYR 69 CO 0.07 0.50 -0.05 -0.51 -1.11 0.00 0.00 175.55 174.45 1ml7 s ASP 70 N -2.76 0.58 -0.06 2.29 1.11 -0.56 -1.40 116.67 115.87 1ml7 s ASP 70 Ca 0.26 -0.66 0.05 0.00 0.18 0.00 0.00 52.55 52.39 1ml7 s ASP 70 Cb -0.10 0.10 -0.01 0.00 1.07 0.00 0.00 42.92 43.98 1ml7 s ASP 70 CO 0.18 -0.34 -0.21 -0.69 1.18 0.00 0.00 175.17 175.28 1ml7 s VAL 71 N -2.08 1.78 0.03 -1.27 1.01 -0.23 -0.47 120.40 119.16 1ml7 s VAL 71 Ca -0.07 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1ml7 s VAL 71 Cb -0.05 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1ml7 s VAL 71 CO -0.02 0.50 -0.11 -0.44 0.00 0.00 0.00 175.10 175.03 1ml7 s SER 72 N -0.02 1.30 -0.21 3.32 0.01 0.22 -1.12 113.70 117.20 1ml7 s SER 72 Ca -0.05 -0.38 -0.10 0.00 1.31 0.00 0.00 55.95 56.73 1ml7 s SER 72 Cb -0.13 -0.08 -0.05 0.00 0.21 0.00 0.00 66.02 65.97 1ml7 s SER 72 CO 0.03 0.01 0.14 -1.61 0.41 0.00 0.00 173.24 172.23 1ml7 s GLU 73 N -0.92 4.14 -0.17 12.44 2.02 -1.26 -1.55 118.70 133.40 1ml7 s GLU 73 Ca 0.00 -0.24 -0.10 0.00 0.02 0.00 0.00 54.97 54.65 1ml7 s GLU 73 Cb -0.07 -3.46 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 1ml7 s GLU 73 CO 0.01 0.21 0.15 -0.51 0.02 0.00 0.00 175.26 175.14 1ml7 s LEU 74 N 0.62 4.27 -0.06 1.80 1.02 0.02 -2.75 118.68 123.60 1ml7 s LEU 74 Ca 0.08 0.33 -0.03 0.00 0.02 0.00 0.00 54.13 54.52 1ml7 s LEU 74 Cb -0.12 -2.12 -0.04 0.00 0.02 0.00 0.00 46.19 43.94 1ml7 s LEU 74 CO 0.00 0.24 0.11 -1.10 0.02 0.00 0.00 176.35 175.62 1ml7 s GLN 75 N -0.03 3.26 -0.07 1.70 -1.52 0.19 -4.58 119.66 118.61 1ml7 s GLN 75 Ca 0.11 -0.32 -0.27 0.00 -1.95 0.00 0.00 55.36 52.94 1ml7 s GLN 75 Cb -0.12 -3.01 -0.03 0.00 -0.22 0.00 0.00 33.01 29.63 1ml7 s GLN 75 CO 0.00 0.71 0.85 0.08 -0.25 0.00 0.00 175.29 176.68 1ml7 s VAL 76 N -1.12 4.93 -0.21 1.09 1.01 -1.26 -1.06 120.40 123.78 1ml7 s VAL 76 Ca 0.20 1.75 -0.02 0.00 0.00 0.00 0.00 61.98 63.91 1ml7 s VAL 76 Cb -0.12 -4.18 -0.20 0.00 0.00 0.00 0.00 36.38 31.88 1ml7 s VAL 76 CO 0.10 0.15 -0.01 -0.62 0.00 0.00 0.00 175.10 174.71 1ml7 n GLU 77 N 4.26 0.69 -3.84 2.72 -0.58 0.08 -4.92 120.64 119.05 1ml7 n GLU 77 Ca 0.03 0.20 -0.05 0.00 -0.42 0.00 0.00 57.16 56.92 1ml7 n GLU 77 Cb 0.50 -1.59 0.01 0.00 -0.57 0.00 0.00 31.44 29.80 1ml7 n GLU 77 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1ml7 s SER 78 N -6.73 -0.04 0.10 1.62 1.04 -1.07 -5.02 113.70 103.60 1ml7 s SER 78 Ca -0.30 -0.73 -0.31 0.00 0.48 0.00 0.00 55.95 55.08 1ml7 s SER 78 Cb 0.08 0.60 -0.10 0.00 0.10 0.00 0.00 66.02 66.70 1ml7 s SER 78 CO 0.66 -1.16 1.77 -0.22 0.98 0.00 0.00 173.24 175.27 1ml7 s LEU 79 N -3.21 4.39 0.00 2.42 2.96 -1.26 -1.37 118.68 122.62 1ml7 s LEU 79 Ca 0.18 2.66 0.00 0.00 -0.22 0.00 0.00 54.13 56.75 1ml7 s LEU 79 Cb -0.03 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.09 1ml7 s LEU 79 CO 0.06 -0.97 0.00 0.61 -1.32 0.00 0.00 176.35 174.74 1ml7 n GLY 80 N 4.16 0.78 2.91 7.98 0.00 -1.26 -4.75 105.19 115.01 1ml7 n GLY 80 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1ml7 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ml7 s LYS 81 N -0.02 1.38 0.12 1.61 1.02 -0.47 -0.90 119.74 122.48 1ml7 s LYS 81 Ca 0.00 -0.23 0.05 0.00 0.02 0.00 0.00 55.97 55.81 1ml7 s LYS 81 Cb 0.00 -1.40 -0.04 0.00 -0.52 0.00 0.00 37.83 35.87 1ml7 s LYS 81 CO 0.00 -0.20 -0.12 0.71 -0.92 0.00 0.00 175.35 174.82 1ml7 s TYR 82 N 1.46 1.28 -0.13 3.18 2.02 0.02 -0.74 117.35 124.43 1ml7 s TYR 82 Ca -0.00 -0.62 0.03 0.00 -0.37 0.00 0.00 57.07 56.10 1ml7 s TYR 82 Cb -0.13 -0.67 0.01 0.00 -0.40 0.00 0.00 41.96 40.77 1ml7 s TYR 82 CO -0.05 0.09 -0.22 0.99 -1.57 0.00 0.00 175.55 174.80 1ml7 s THR 83 N -2.46 2.10 -0.15 -0.71 2.01 -0.22 -0.96 115.64 115.25 1ml7 s THR 83 Ca 0.09 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.14 1ml7 s THR 83 Cb -0.03 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 70.66 1ml7 s THR 83 CO 0.02 0.55 -0.20 0.00 -0.69 0.00 0.00 174.62 174.30 1ml7 s ALA 84 N 0.74 2.18 1.08 7.40 0.00 0.54 -0.63 121.76 133.06 1ml7 s ALA 84 Ca -0.09 -1.08 -0.16 0.00 0.00 0.00 0.00 51.96 50.63 1ml7 s ALA 84 Cb -0.16 -1.04 0.23 0.00 0.00 0.00 0.00 23.12 22.15 1ml7 s ALA 84 CO -0.00 -0.17 1.13 0.54 0.00 0.00 0.00 175.76 177.25 1ml7 s ASN 85 N 1.05 1.95 -0.02 0.00 2.20 -1.11 -0.81 114.94 118.20 1ml7 s ASN 85 Ca -0.02 0.80 -0.10 0.00 -0.94 0.00 0.00 52.86 52.61 1ml7 s ASN 85 Cb -0.14 -1.20 0.01 0.00 -2.00 0.00 0.00 41.25 37.92 1ml7 s ASN 85 CO -0.06 -3.51 0.21 0.72 -2.94 0.00 0.00 177.10 171.52 1ml7 s PHE 86 N -3.11 -0.09 -0.07 1.54 -0.12 -1.23 -4.15 117.98 110.75 1ml7 s PHE 86 Ca 0.69 0.14 0.05 0.00 -0.05 0.00 0.00 56.93 57.76 1ml7 s PHE 86 Cb -0.13 0.02 -0.00 0.00 -0.63 0.00 0.00 43.02 42.29 1ml7 s PHE 86 CO 0.56 -0.28 -0.22 -1.59 -0.05 0.00 0.00 175.22 173.64 1ml7 s LYS 87 N -1.05 2.48 0.10 1.99 -2.85 -0.27 -4.19 119.74 115.95 1ml7 s LYS 87 Ca -0.11 -0.78 -0.30 0.00 -1.00 0.00 0.00 55.97 53.77 1ml7 s LYS 87 Cb -0.06 -2.01 -0.06 0.00 -2.06 0.00 0.00 37.83 33.65 1ml7 s LYS 87 CO 0.02 0.24 1.08 0.21 0.10 0.00 0.00 175.35 177.00 1ml7 s LYS 88 N 0.15 4.56 0.11 1.78 2.20 -0.77 -1.06 119.74 126.70 1ml7 s LYS 88 Ca -0.10 1.63 0.02 0.00 -0.36 0.00 0.00 55.97 57.16 1ml7 s LYS 88 Cb -0.15 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1ml7 s LYS 88 CO 0.05 -0.02 -0.06 0.14 -0.36 0.00 0.00 175.35 175.11 1ml7 s VAL 89 N 0.40 0.73 1.07 4.02 -7.23 -0.49 -0.44 120.40 118.45 1ml7 s VAL 89 Ca 0.52 -1.95 -0.18 0.00 -1.81 0.00 0.00 61.98 58.56 1ml7 s VAL 89 Cb -0.27 -1.76 0.25 0.00 0.56 0.00 0.00 36.38 35.16 1ml7 s VAL 89 CO 0.31 -0.81 1.27 1.51 -0.31 0.00 0.00 175.10 177.07 1ml7 s ASP 90 N -3.07 2.17 0.47 4.85 1.47 -0.54 -3.61 116.67 118.41 1ml7 s ASP 90 Ca 0.14 0.31 0.32 0.00 1.18 0.00 0.00 52.55 54.50 1ml7 s ASP 90 Cb 0.05 -0.35 1.53 0.00 -0.34 0.00 0.00 42.92 43.81 1ml7 s ASP 90 CO -0.03 -3.32 1.97 0.07 0.68 0.00 0.00 175.17 174.53 1ml7 h LYS 91 N -2.05 0.00 -0.21 2.11 2.10 -1.96 -0.80 116.57 115.77 1ml7 h LYS 91 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1ml7 h LYS 91 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1ml7 h LYS 91 CO 0.33 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.87 1ml7 n ASN 92 N -2.73 2.79 0.00 7.07 5.03 -1.26 -4.80 115.26 121.36 1ml7 n ASN 92 Ca -0.00 -1.89 0.00 0.00 0.87 0.00 0.00 54.58 53.55 1ml7 n ASN 92 Cb 0.17 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 1ml7 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ml7 n GLY 93 N 1.36 0.75 3.72 7.41 0.00 -0.31 -4.99 105.19 113.14 1ml7 n GLY 93 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1ml7 n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ml7 s ASN 94 N -2.54 6.97 0.10 1.61 0.01 -1.26 -4.79 114.94 115.04 1ml7 s ASN 94 Ca 0.00 2.23 -0.30 0.00 -0.71 0.00 0.00 52.86 54.08 1ml7 s ASN 94 Cb 0.00 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 39.01 1ml7 s ASN 94 CO 0.00 -0.51 1.15 -0.69 -1.51 0.00 0.00 177.10 175.54 1ml7 s VAL 95 N 0.65 4.02 -0.16 1.60 1.01 -1.26 -1.47 120.40 124.79 1ml7 s VAL 95 Ca 0.59 1.54 0.05 0.00 0.00 0.00 0.00 61.98 64.16 1ml7 s VAL 95 Cb -0.34 -3.99 -0.13 0.00 0.00 0.00 0.00 36.38 31.93 1ml7 s VAL 95 CO 0.33 0.17 -0.08 0.29 0.00 0.00 0.00 175.10 175.81 1ml7 n LYS 96 N 3.35 0.92 -3.64 2.72 5.02 0.42 -4.92 118.16 122.02 1ml7 n LYS 96 Ca 0.06 0.06 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 1ml7 n LYS 96 Cb 0.47 -1.34 -0.17 0.00 -0.02 0.00 0.00 35.03 33.96 1ml7 n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ml7 s VAL 97 N -2.34 -0.11 0.72 -0.18 1.01 -0.85 -4.98 120.40 113.67 1ml7 s VAL 97 Ca -0.17 0.20 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 1ml7 s VAL 97 Cb 0.05 -0.32 0.03 0.00 0.00 0.00 0.00 36.38 36.14 1ml7 s VAL 97 CO 0.45 -0.00 1.11 0.00 0.00 0.00 0.00 175.10 176.66 1ml7 s ALA 98 N 2.17 2.33 0.29 5.51 0.00 -1.26 -1.85 121.76 128.95 1ml7 s ALA 98 Ca 0.04 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 1ml7 s ALA 98 Cb -0.14 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 1ml7 s ALA 98 CO -0.06 -1.57 1.16 0.28 0.00 0.00 0.00 175.76 175.58 1ml7 n VAL 99 N -2.98 1.81 -3.71 0.00 0.31 -1.26 -4.82 118.33 107.68 1ml7 n VAL 99 Ca 0.10 -0.45 -0.14 0.00 -0.01 0.00 0.00 64.34 63.84 1ml7 n VAL 99 Cb 0.52 -1.23 -0.08 0.00 -0.91 0.00 0.00 33.84 32.14 1ml7 n VAL 99 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1ml7 s THR 100 N -0.90 0.05 0.27 2.52 -1.32 -1.26 -5.08 115.64 109.92 1ml7 s THR 100 Ca 0.60 -0.41 -0.31 0.00 -1.21 0.00 0.00 61.69 60.36 1ml7 s THR 100 Cb -0.66 -0.74 -0.12 0.00 -1.51 0.00 0.00 72.50 69.47 1ml7 s THR 100 CO 0.59 -0.23 1.58 0.00 -2.21 0.00 0.00 174.62 174.36 1ml7 n ALA 101 N 1.07 2.30 0.00 11.08 0.00 -1.26 -1.59 120.51 132.11 1ml7 n ALA 101 Ca -0.21 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1ml7 n ALA 101 Cb 0.57 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1ml7 n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ml7 n GLY 102 N 2.50 1.37 3.30 0.00 0.00 -1.26 -4.94 105.19 106.15 1ml7 n GLY 102 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 1ml7 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ml7 s ASN 103 N -2.57 6.32 0.18 1.61 -0.87 -0.62 -3.70 114.94 115.29 1ml7 s ASN 103 Ca 0.00 -2.18 -0.17 0.00 -1.57 0.00 0.00 52.86 48.94 1ml7 s ASN 103 Cb 0.00 -2.18 0.03 0.00 -0.02 0.00 0.00 41.25 39.08 1ml7 s ASN 103 CO 0.00 -0.72 0.50 -0.72 -2.57 0.00 0.00 177.10 173.60 1ml7 s TYR 104 N 0.98 -0.14 0.04 2.20 1.13 -0.52 -3.54 117.35 117.49 1ml7 s TYR 104 Ca 0.09 -0.20 0.03 0.00 -1.41 0.00 0.00 57.07 55.59 1ml7 s TYR 104 Cb -0.22 0.37 -0.02 0.00 -1.10 0.00 0.00 41.96 40.99 1ml7 s TYR 104 CO -0.02 -0.88 -0.09 1.52 -2.51 0.00 0.00 175.55 173.57 1ml7 s TYR 105 N -3.86 0.78 0.36 -3.49 1.13 0.01 -0.49 117.35 111.79 1ml7 s TYR 105 Ca 0.08 -0.41 -0.08 0.00 -1.41 0.00 0.00 57.07 55.25 1ml7 s TYR 105 Cb -0.00 -0.47 -0.06 0.00 -1.10 0.00 0.00 41.96 40.33 1ml7 s TYR 105 CO -0.04 -0.04 0.68 0.95 -2.51 0.00 0.00 175.55 174.59 1ml7 s THR 106 N -1.11 4.90 -0.11 -3.49 -4.23 -0.42 -0.34 115.64 110.84 1ml7 s THR 106 Ca -0.06 0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.75 1ml7 s THR 106 Cb -0.08 -3.75 0.06 0.00 1.34 0.00 0.00 72.50 70.06 1ml7 s THR 106 CO 0.01 -0.47 0.19 0.12 -0.54 0.00 0.00 174.62 173.92 1ml7 s PHE 107 N -2.29 -0.24 -0.12 3.99 5.36 -0.13 -2.56 117.98 121.98 1ml7 s PHE 107 Ca 0.48 0.64 0.02 0.00 -0.96 0.00 0.00 56.93 57.11 1ml7 s PHE 107 Cb -0.10 -0.23 0.01 0.00 -0.34 0.00 0.00 43.02 42.36 1ml7 s PHE 107 CO 0.32 -0.33 -0.20 0.99 -1.46 0.00 0.00 175.22 174.54 1ml7 s THR 108 N 2.32 1.84 -0.53 0.12 2.01 -0.14 -0.80 115.64 120.46 1ml7 s THR 108 Ca 0.03 -0.85 -0.21 0.00 0.31 0.00 0.00 61.69 60.96 1ml7 s THR 108 Cb -0.12 -1.64 0.05 0.00 0.01 0.00 0.00 72.50 70.80 1ml7 s THR 108 CO -0.07 0.51 0.77 -0.69 -0.69 0.00 0.00 174.62 174.45 1ml7 s VAL 109 N 0.82 4.65 -0.03 3.82 1.01 -0.08 -1.29 120.40 129.30 1ml7 s VAL 109 Ca -0.08 -0.16 0.12 0.00 0.00 0.00 0.00 61.98 61.85 1ml7 s VAL 109 Cb -0.16 -4.42 -0.10 0.00 0.00 0.00 0.00 36.38 31.71 1ml7 s VAL 109 CO -0.00 -0.96 1.23 0.24 0.00 0.00 0.00 175.10 175.60 1ml7 h MET 110 N 9.15 0.00 -2.42 2.72 2.86 -1.16 -0.27 114.93 125.81 1ml7 h MET 110 Ca -0.27 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.28 1ml7 h MET 110 Cb 1.08 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.52 1ml7 h MET 110 CO 1.03 0.68 -0.07 -0.47 1.06 0.00 0.00 176.91 179.14 1ml7 s TYR 111 N -2.82 -0.58 -0.09 -0.22 5.04 -1.06 -3.12 117.35 114.50 1ml7 s TYR 111 Ca 0.01 1.36 -0.22 0.00 -2.44 0.00 0.00 57.07 55.79 1ml7 s TYR 111 Cb 0.09 0.21 0.05 0.00 0.35 0.00 0.00 41.96 42.66 1ml7 s TYR 111 CO 0.79 -0.32 0.52 0.00 -1.34 0.00 0.00 175.55 175.20 1ml7 s ALA 112 N 0.07 -1.33 0.00 3.97 0.00 -1.26 -0.99 121.76 122.22 1ml7 s ALA 112 Ca -0.02 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1ml7 s ALA 112 Cb -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1ml7 s ALA 112 CO 0.02 -0.30 0.00 -0.40 0.00 0.00 0.00 175.76 175.08 1ml7 n ASP 113 N 1.66 0.15 0.25 0.00 5.68 -0.21 -4.97 116.55 119.11 1ml7 n ASP 113 Ca -0.18 -0.51 0.13 0.00 -0.50 0.00 0.00 54.79 53.73 1ml7 n ASP 113 Cb 0.56 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.16 1ml7 n ASP 113 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ml7 h ASP 114 N 0.00 0.00 0.00 -1.12 3.32 -2.02 -3.31 116.42 113.29 1ml7 h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ml7 h ASP 114 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ml7 h ASP 114 CO 0.00 0.14 -0.78 -1.20 -1.72 0.00 0.00 179.24 175.68 1ml7 n SER 115 N -3.38 2.44 -3.80 6.45 7.64 -1.26 -4.86 113.62 116.85 1ml7 n SER 115 Ca -0.00 -0.25 -0.10 0.00 1.01 0.00 0.00 58.87 59.53 1ml7 n SER 115 Cb 0.33 1.11 -0.07 0.00 -1.01 0.00 0.00 64.21 64.58 1ml7 n SER 115 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ml7 s SER 116 N -2.04 0.02 0.11 6.43 1.04 -1.25 -1.28 113.70 116.73 1ml7 s SER 116 Ca -0.00 -0.49 -0.22 0.00 0.48 0.00 0.00 55.95 55.71 1ml7 s SER 116 Cb 0.03 0.36 0.06 0.00 0.10 0.00 0.00 66.02 66.56 1ml7 s SER 116 CO 0.17 -0.71 0.55 0.00 0.98 0.00 0.00 173.24 174.23 1ml7 s ALA 117 N -3.49 -1.42 -0.11 5.32 0.00 -0.77 -1.05 121.76 120.25 1ml7 s ALA 117 Ca 0.02 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.49 1ml7 s ALA 117 Cb 0.03 0.64 0.01 0.00 0.00 0.00 0.00 23.12 23.80 1ml7 s ALA 117 CO -0.09 -0.64 -0.18 -1.17 0.00 0.00 0.00 175.76 173.68 1ml7 s LEU 118 N -2.42 1.88 0.18 0.00 2.96 -0.16 -0.54 118.68 120.58 1ml7 s LEU 118 Ca -0.01 -0.49 0.08 0.00 -0.22 0.00 0.00 54.13 53.48 1ml7 s LEU 118 Cb -0.00 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 1ml7 s LEU 118 CO -0.08 0.05 -0.15 0.27 -1.32 0.00 0.00 176.35 175.12 1ml7 s ILE 119 N 0.84 1.69 0.03 6.68 -5.25 -0.25 -0.78 121.20 124.16 1ml7 s ILE 119 Ca -0.09 -2.07 0.07 0.00 -0.99 0.00 0.00 60.65 57.58 1ml7 s ILE 119 Cb -0.15 -1.92 -0.03 0.00 2.95 0.00 0.00 42.46 43.30 1ml7 s ILE 119 CO -0.00 -0.50 -0.20 -2.28 -1.79 0.00 0.00 174.94 170.16 1ml7 s HIS 120 N -2.64 2.50 -0.02 1.37 5.65 -0.41 -1.17 115.29 120.58 1ml7 s HIS 120 Ca 0.19 -0.30 -0.02 0.00 0.25 0.00 0.00 55.06 55.18 1ml7 s HIS 120 Cb -0.02 -1.46 0.00 0.00 -1.18 0.00 0.00 32.58 29.92 1ml7 s HIS 120 CO 0.06 0.20 0.04 -0.08 -0.65 0.00 0.00 174.74 174.32 1ml7 s THR 121 N -0.86 0.00 -0.30 0.89 -1.32 0.23 -0.97 115.64 113.30 1ml7 s THR 121 Ca 0.13 -0.02 -0.01 0.00 -1.21 0.00 0.00 61.69 60.59 1ml7 s THR 121 Cb -0.10 -0.08 0.06 0.00 -1.51 0.00 0.00 72.50 70.87 1ml7 s THR 121 CO 0.04 -0.01 0.00 0.00 -2.21 0.00 0.00 174.62 172.44 1ml7 s LEU 123 N 1.22 4.41 -0.14 0.00 2.96 -1.26 -1.30 118.68 124.57 1ml7 s LEU 123 Ca -0.04 1.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.20 1ml7 s LEU 123 Cb -0.20 -3.11 0.01 0.00 0.50 0.00 0.00 46.19 43.39 1ml7 s LEU 123 CO -0.02 0.01 -0.21 -1.00 -1.32 0.00 0.00 176.35 173.81 1ml7 s HIS 124 N 0.09 2.62 -0.25 5.38 3.76 0.36 -4.62 115.29 122.63 1ml7 s HIS 124 Ca 0.36 -1.35 -0.02 0.00 -0.15 0.00 0.00 55.06 53.90 1ml7 s HIS 124 Cb -0.19 -1.79 0.12 0.00 1.11 0.00 0.00 32.58 31.82 1ml7 s HIS 124 CO 0.20 -0.63 0.27 0.21 -0.85 0.00 0.00 174.74 173.95 1ml7 s LYS 125 N 0.89 0.27 3.79 1.40 2.20 -1.24 -1.44 119.74 125.59 1ml7 s LYS 125 Ca -0.06 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 1ml7 s LYS 125 Cb -0.15 -0.88 0.00 0.00 -1.51 0.00 0.00 37.83 35.29 1ml7 s LYS 125 CO -0.03 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 174.54 1ml7 n GLY 126 N 5.32 3.11 0.00 5.54 0.00 -1.24 -1.37 105.19 116.55 1ml7 n GLY 126 Ca -0.04 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1ml7 n GLY 126 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ml7 n ASN 127 N 3.87 0.00 -4.80 1.61 4.13 -1.26 -4.96 115.26 113.85 1ml7 n ASN 127 Ca 0.00 0.41 -0.32 0.00 1.68 0.00 0.00 54.58 56.34 1ml7 n ASN 127 Cb 0.00 -0.47 0.03 0.00 -1.54 0.00 0.00 39.78 37.81 1ml7 n ASN 127 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1ml7 s LYS 128 N -2.94 3.03 -0.34 3.52 1.02 -0.47 -5.01 119.74 118.54 1ml7 s LYS 128 Ca 0.15 1.19 -0.01 0.00 0.02 0.00 0.00 55.97 57.33 1ml7 s LYS 128 Cb 0.18 -1.99 0.08 0.00 -0.52 0.00 0.00 37.83 35.58 1ml7 s LYS 128 CO 0.49 -1.05 0.07 0.34 -0.92 0.00 0.00 175.35 174.29 1ml7 s ASP 129 N -2.99 4.95 0.10 2.83 2.15 -1.26 -4.67 116.67 117.78 1ml7 s ASP 129 Ca 0.63 -1.73 0.09 0.00 0.43 0.00 0.00 52.55 51.98 1ml7 s ASP 129 Cb -0.17 -1.72 -0.04 0.00 -0.30 0.00 0.00 42.92 40.69 1ml7 s ASP 129 CO 0.43 -0.38 -0.21 -0.76 -0.17 0.00 0.00 175.17 174.09 1ml7 s LEU 130 N 1.13 2.55 0.00 -1.34 1.43 -1.26 -4.60 118.68 116.59 1ml7 s LEU 130 Ca 0.02 -0.59 0.05 0.00 -1.03 0.00 0.00 54.13 52.59 1ml7 s LEU 130 Cb -0.21 -1.44 0.05 0.00 0.03 0.00 0.00 46.19 44.63 1ml7 s LEU 130 CO -0.04 0.19 0.45 0.61 0.23 0.00 0.00 176.35 177.80 1ml7 n GLY 131 N 0.99 2.48 3.76 -3.19 0.00 -1.26 -2.11 105.19 105.87 1ml7 n GLY 131 Ca -0.16 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.22 1ml7 n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ml7 s ASP 132 N -3.71 5.65 -0.07 1.61 1.11 -1.26 -4.62 116.67 115.38 1ml7 s ASP 132 Ca 0.34 2.72 0.02 0.00 0.18 0.00 0.00 52.55 55.81 1ml7 s ASP 132 Cb -0.03 -2.64 0.01 0.00 1.07 0.00 0.00 42.92 41.34 1ml7 s ASP 132 CO 0.22 -1.31 -0.11 -0.22 1.18 0.00 0.00 175.17 174.92 1ml7 s LEU 133 N -3.15 1.58 0.08 1.23 2.96 -0.72 -1.03 118.68 119.63 1ml7 s LEU 133 Ca 0.66 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 1ml7 s LEU 133 Cb -0.39 -0.79 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 1ml7 s LEU 133 CO 0.48 0.01 0.03 -0.31 -1.32 0.00 0.00 176.35 175.24 1ml7 s TYR 134 N 0.77 3.06 -0.03 5.38 2.02 0.21 -0.60 117.35 128.16 1ml7 s TYR 134 Ca -0.13 0.02 -0.02 0.00 -0.37 0.00 0.00 57.07 56.58 1ml7 s TYR 134 Cb -0.15 -1.58 0.02 0.00 -0.40 0.00 0.00 41.96 39.85 1ml7 s TYR 134 CO 0.02 0.49 0.07 0.00 -1.57 0.00 0.00 175.55 174.56 1ml7 s ALA 135 N -1.32 -0.10 -0.16 3.71 0.00 -0.31 -1.00 121.76 122.58 1ml7 s ALA 135 Ca 0.27 0.31 -0.19 0.00 0.00 0.00 0.00 51.96 52.34 1ml7 s ALA 135 Cb -0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1ml7 s ALA 135 CO 0.19 -0.08 0.55 0.08 0.00 0.00 0.00 175.76 176.51 1ml7 s VAL 136 N 0.57 5.10 0.12 0.00 1.01 0.13 -1.09 120.40 126.25 1ml7 s VAL 136 Ca -0.05 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.06 1ml7 s VAL 136 Cb -0.06 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1ml7 s VAL 136 CO -0.02 0.21 -0.04 -0.76 0.00 0.00 0.00 175.10 174.49 1ml7 s LEU 137 N 1.32 3.25 0.02 3.92 1.43 0.30 -0.72 118.68 128.20 1ml7 s LEU 137 Ca 0.27 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 1ml7 s LEU 137 Cb -0.16 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1ml7 s LEU 137 CO 0.11 0.15 0.09 0.21 0.23 0.00 0.00 176.35 177.14 1ml7 s ASN 138 N -2.48 0.14 0.50 2.29 3.84 -0.21 -1.84 114.94 117.18 1ml7 s ASN 138 Ca 0.25 -0.43 0.29 0.00 0.21 0.00 0.00 52.86 53.18 1ml7 s ASN 138 Cb -0.11 0.21 1.16 0.00 -0.55 0.00 0.00 41.25 41.96 1ml7 s ASN 138 CO 0.17 -0.44 1.92 0.03 -2.79 0.00 0.00 177.10 175.98 1ml7 h ARG 139 N 3.96 0.00 -4.94 0.43 2.47 -1.44 -0.08 114.38 114.78 1ml7 h ARG 139 Ca -0.32 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.74 1ml7 h ARG 139 Cb 1.19 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.26 1ml7 h ARG 139 CO 0.46 0.10 -0.66 1.21 0.56 0.00 0.00 179.97 181.65 1ml7 s ASN 140 N -5.94 4.86 0.65 7.04 3.84 -1.26 -4.81 114.94 119.32 1ml7 s ASN 140 Ca 0.01 -0.36 0.41 0.00 0.21 0.00 0.00 52.86 53.13 1ml7 s ASN 140 Cb 0.10 -1.85 2.29 0.00 -0.55 0.00 0.00 41.25 41.23 1ml7 s ASN 140 CO 0.59 -0.06 2.35 0.07 -2.79 0.00 0.00 177.10 177.25 1ml7 h LYS 141 N 8.20 0.00 -0.25 0.43 2.10 -1.93 -2.24 116.57 122.88 1ml7 h LYS 141 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1ml7 h LYS 141 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1ml7 h LYS 141 CO 0.59 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.79 1ml7 n ASP 142 N -3.25 3.02 -4.70 7.07 8.00 -1.26 -4.90 116.55 120.54 1ml7 n ASP 142 Ca -0.03 -1.89 -0.42 0.00 0.71 0.00 0.00 54.79 53.16 1ml7 n ASP 142 Cb 0.08 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 1ml7 n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ml7 s ALA 143 N -1.39 3.52 0.52 2.24 0.00 -0.84 -5.00 121.76 120.81 1ml7 s ALA 143 Ca 0.30 0.87 -0.22 0.00 0.00 0.00 0.00 51.96 52.91 1ml7 s ALA 143 Cb 0.18 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 1ml7 s ALA 143 CO 0.26 -0.71 1.28 0.00 0.00 0.00 0.00 175.76 176.59 1ml7 s ALA 144 N 1.78 2.83 0.15 0.00 0.00 -1.26 -4.94 121.76 120.32 1ml7 s ALA 144 Ca 0.61 1.17 -0.31 0.00 0.00 0.00 0.00 51.96 53.42 1ml7 s ALA 144 Cb -0.31 -3.49 -0.10 0.00 0.00 0.00 0.00 23.12 19.22 1ml7 s ALA 144 CO 0.27 -1.12 1.54 0.00 0.00 0.00 0.00 175.76 176.45 1ml7 s ALA 145 N -1.41 3.74 0.73 0.00 0.00 -1.26 -5.01 121.76 118.55 1ml7 s ALA 145 Ca 0.70 1.31 -0.04 0.00 0.00 0.00 0.00 51.96 53.93 1ml7 s ALA 145 Cb -0.35 -3.61 0.11 0.00 0.00 0.00 0.00 23.12 19.27 1ml7 s ALA 145 CO 0.42 -0.78 1.02 0.20 0.00 0.00 0.00 175.76 176.62 1ml7 s GLY 146 N 1.24 1.76 0.37 0.00 0.00 -1.26 -4.87 107.32 104.55 1ml7 s GLY 146 Ca 0.69 -1.44 0.08 0.00 0.00 0.00 0.00 44.72 44.06 1ml7 s GLY 146 CO 0.31 -0.91 1.89 -0.55 0.00 0.00 0.00 173.10 173.84 1ml7 h ASP 147 N -0.63 0.27 -0.06 1.64 5.19 -1.98 -0.24 116.42 120.62 1ml7 h ASP 147 Ca -0.40 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 55.94 1ml7 h ASP 147 Cb 1.28 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.71 1ml7 h ASP 147 CO 0.45 0.44 0.00 0.11 -3.12 0.00 0.00 179.24 177.12 1ml7 h LYS 148 N 0.27 0.10 -0.06 3.56 1.57 -1.99 0.11 116.57 120.14 1ml7 h LYS 148 Ca 0.05 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.63 1ml7 h LYS 148 Cb 0.41 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1ml7 h LYS 148 CO 0.02 0.38 -0.73 -0.24 -0.57 0.00 0.00 179.45 178.31 1ml7 h VAL 149 N -0.19 1.41 -0.44 0.50 3.04 -1.91 -2.10 116.25 116.55 1ml7 h VAL 149 Ca 0.02 -2.20 -0.07 0.00 -1.01 0.00 0.00 66.70 63.43 1ml7 h VAL 149 Cb 0.33 2.16 -0.02 0.00 -2.01 0.00 0.00 31.29 31.75 1ml7 h VAL 149 CO 0.00 0.65 -0.01 0.11 -1.01 0.00 0.00 177.57 177.31 1ml7 h LYS 150 N 0.21 0.72 -0.78 4.17 1.57 -0.98 -0.97 116.57 120.52 1ml7 h LYS 150 Ca -0.03 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 1ml7 h LYS 150 Cb 1.30 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1ml7 h LYS 150 CO 0.12 0.75 0.29 0.77 -0.57 0.00 0.00 179.45 180.80 1ml7 h SER 151 N 0.68 1.10 -0.61 0.86 0.02 -0.79 -1.71 113.55 113.10 1ml7 h SER 151 Ca 0.13 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1ml7 h SER 151 Cb 0.44 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1ml7 h SER 151 CO 0.02 0.99 0.30 0.00 -1.14 0.00 0.00 176.83 177.00 1ml7 h ALA 152 N 1.15 1.34 -0.22 3.77 0.00 -0.67 0.22 119.26 124.85 1ml7 h ALA 152 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ml7 h ALA 152 Cb 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ml7 h ALA 152 CO -0.02 0.52 0.14 0.28 0.00 0.00 0.00 179.25 180.17 1ml7 h VAL 153 N 0.90 1.05 -0.75 0.00 2.07 -0.73 -1.40 116.25 117.39 1ml7 h VAL 153 Ca 0.22 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 1ml7 h VAL 153 Cb 0.10 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1ml7 h VAL 153 CO -0.03 0.05 0.45 -1.28 0.02 0.00 0.00 177.57 176.79 1ml7 h SER 154 N 0.29 0.89 0.36 0.57 0.87 -0.45 -2.29 113.55 113.79 1ml7 h SER 154 Ca 0.08 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1ml7 h SER 154 Cb -0.03 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.70 1ml7 h SER 154 CO -0.02 0.69 -0.09 0.00 -0.53 0.00 0.00 176.83 176.89 1ml7 h ALA 155 N 1.24 1.25 0.00 6.23 0.00 -0.16 0.18 119.26 127.99 1ml7 h ALA 155 Ca 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ml7 h ALA 155 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ml7 h ALA 155 CO -0.05 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1ml7 n ALA 156 N -2.25 2.59 -3.44 0.00 0.00 -0.57 -4.89 120.51 111.95 1ml7 n ALA 156 Ca -0.02 -0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 1ml7 n ALA 156 Cb 0.21 -1.35 0.07 0.00 0.00 0.00 0.00 19.45 18.38 1ml7 n ALA 156 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ml7 n THR 157 N -0.85 -2.97 -4.43 0.00 -1.04 0.63 -5.03 114.28 100.57 1ml7 n THR 157 Ca 0.16 -0.06 -0.24 0.00 -2.04 0.00 0.00 64.05 61.87 1ml7 n THR 157 Cb 0.07 -3.83 -0.10 0.00 -1.82 0.00 0.00 70.33 64.66 1ml7 n THR 157 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1ml7 s LEU 158 N -6.47 2.66 -0.26 -4.42 1.43 -0.90 -5.04 118.68 105.68 1ml7 s LEU 158 Ca 0.45 -0.94 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1ml7 s LEU 158 Cb -0.20 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1ml7 s LEU 158 CO 0.64 0.05 0.03 -0.70 0.23 0.00 0.00 176.35 176.60 1ml7 s GLU 159 N -3.39 3.23 0.51 1.70 2.56 -1.26 -3.81 118.70 118.23 1ml7 s GLU 159 Ca 0.29 -0.75 0.19 0.00 0.00 0.00 0.00 54.97 54.70 1ml7 s GLU 159 Cb -0.06 -3.22 1.29 0.00 2.00 0.00 0.00 34.13 34.14 1ml7 s GLU 159 CO 0.15 -0.33 2.10 0.35 -0.56 0.00 0.00 175.26 176.97 1ml7 h PHE 160 N 8.17 0.00 0.00 5.30 3.57 -1.91 -1.41 116.94 130.67 1ml7 h PHE 160 Ca -0.35 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.15 1ml7 h PHE 160 Cb 1.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1ml7 h PHE 160 CO 0.61 0.08 0.07 0.66 -2.23 0.00 0.00 178.31 177.50 1ml7 h SER 161 N 0.00 0.00 1.61 0.41 4.64 -2.01 -0.59 113.55 117.60 1ml7 h SER 161 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1ml7 h SER 161 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1ml7 h SER 161 CO 0.01 0.00 -0.40 0.11 -0.87 0.00 0.00 176.83 175.68 1ml7 h LYS 162 N 0.00 0.00 -7.01 4.77 1.79 -1.67 -3.47 116.57 110.98 1ml7 h LYS 162 Ca 0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 1ml7 h LYS 162 Cb 0.14 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 30.86 1ml7 h LYS 162 CO 0.00 0.23 0.47 -0.06 -1.08 0.00 0.00 179.45 179.01 1ml7 s PHE 163 N -3.10 2.88 -0.18 -1.35 0.40 -0.23 -4.89 117.98 111.51 1ml7 s PHE 163 Ca 0.04 1.54 -0.11 0.00 -0.60 0.00 0.00 56.93 57.81 1ml7 s PHE 163 Cb 0.07 -3.35 -0.05 0.00 0.51 0.00 0.00 43.02 40.20 1ml7 s PHE 163 CO 0.72 -1.46 0.19 0.42 0.70 0.00 0.00 175.22 175.79 1ml7 s ILE 164 N -1.58 5.38 0.37 0.64 -1.09 0.31 -4.85 121.20 120.39 1ml7 s ILE 164 Ca 0.64 0.31 -0.22 0.00 -2.23 0.00 0.00 60.65 59.15 1ml7 s ILE 164 Cb -0.28 -3.52 -0.10 0.00 -1.58 0.00 0.00 42.46 36.98 1ml7 s ILE 164 CO 0.33 0.44 0.92 -0.55 -1.23 0.00 0.00 174.94 174.85 1ml7 s SER 165 N 0.24 7.08 0.00 3.58 0.15 -1.26 -1.01 113.70 122.48 1ml7 s SER 165 Ca 0.11 1.69 0.24 0.00 0.70 0.00 0.00 55.95 58.70 1ml7 s SER 165 Cb -0.12 -2.53 0.24 0.00 -1.71 0.00 0.00 66.02 61.90 1ml7 s SER 165 CO 0.01 -0.22 1.29 0.35 1.20 0.00 0.00 173.24 175.87 1ml7 n THR 166 N -0.10 0.01 0.26 6.45 -2.24 -0.20 -4.66 114.28 113.79 1ml7 n THR 166 Ca 0.04 -0.49 0.16 0.00 -2.27 0.00 0.00 64.05 61.49 1ml7 n THR 166 Cb 0.52 1.44 0.62 0.00 -2.10 0.00 0.00 70.33 70.81 1ml7 n THR 166 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1ml7 h LYS 167 N 4.57 0.00 -0.78 -0.78 2.10 -1.91 -2.95 116.57 116.82 1ml7 h LYS 167 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 1ml7 h LYS 167 Cb 0.97 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.23 1ml7 h LYS 167 CO 0.00 0.05 0.16 0.39 -2.00 0.00 0.00 179.45 178.05 1ml7 n GLU 168 N -3.16 3.36 -0.25 0.07 -0.58 -1.26 -4.43 120.64 114.40 1ml7 n GLU 168 Ca 0.01 -2.39 0.09 0.00 -0.42 0.00 0.00 57.16 54.44 1ml7 n GLU 168 Cb 0.34 -2.03 0.22 0.00 -0.57 0.00 0.00 31.44 29.40 1ml7 n GLU 168 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ml7 n ASN 169 N 0.09 3.34 -2.91 1.62 3.02 -1.11 -4.95 115.26 114.36 1ml7 n ASN 169 Ca 0.29 -1.97 -0.22 0.00 -0.03 0.00 0.00 54.58 52.66 1ml7 n ASN 169 Cb 1.12 -0.32 0.02 0.00 -0.61 0.00 0.00 39.78 39.98 1ml7 n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ml7 n ASN 170 N 1.09 -5.63 -4.74 6.41 4.13 -1.26 -4.90 115.26 110.36 1ml7 n ASN 170 Ca 0.17 -0.22 -0.41 0.00 1.68 0.00 0.00 54.58 55.81 1ml7 n ASN 170 Cb 0.52 -4.59 -0.03 0.00 -1.54 0.00 0.00 39.78 34.13 1ml7 n ASN 170 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ml7 s ALA 172 N -0.20 1.90 0.03 0.00 0.00 -1.26 -5.14 121.76 117.09 1ml7 s ALA 172 Ca 0.53 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.66 1ml7 s ALA 172 Cb -0.35 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1ml7 s ALA 172 CO 0.39 0.36 -0.22 0.71 0.00 0.00 0.00 175.76 177.01 1ml7 s TYR 173 N -0.10 2.46 -1.11 0.00 2.02 -1.26 -5.05 117.35 114.30 1ml7 s TYR 173 Ca -0.03 -0.33 -0.14 0.00 -0.37 0.00 0.00 57.07 56.21 1ml7 s TYR 173 Cb -0.13 -1.45 0.19 0.00 -0.40 0.00 0.00 41.96 40.17 1ml7 s TYR 173 CO 0.03 0.17 1.26 0.34 -1.57 0.00 0.00 175.55 175.78 1ml7 s ASP 174 N -1.21 7.04 0.42 2.29 -1.08 -1.26 -4.85 116.67 118.01 1ml7 s ASP 174 Ca 0.13 -2.96 0.15 0.00 -0.52 0.00 0.00 52.55 49.35 1ml7 s ASP 174 Cb -0.10 -2.34 0.90 0.00 -1.46 0.00 0.00 42.92 39.91 1ml7 s ASP 174 CO 0.03 -0.68 1.91 0.78 0.52 0.00 0.00 175.17 177.73 1ml7 h ASN 175 N 7.36 0.00 -0.59 -0.34 4.21 -2.00 -2.29 115.58 121.94 1ml7 h ASN 175 Ca 0.24 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.73 1ml7 h ASN 175 Cb 0.91 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.08 1ml7 h ASN 175 CO 1.13 0.27 0.26 0.44 -1.29 0.00 0.00 177.43 178.24 1ml7 h ASP 176 N 0.00 0.79 -0.67 5.81 3.32 -2.00 -1.73 116.42 121.93 1ml7 h ASP 176 Ca -0.00 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 1ml7 h ASP 176 Cb 0.50 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1ml7 h ASP 176 CO 0.04 0.72 0.22 0.28 -1.72 0.00 0.00 179.24 178.78 1ml7 h SER 177 N 0.80 0.98 -0.91 6.45 0.02 -1.77 -1.32 113.55 117.80 1ml7 h SER 177 Ca 0.20 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ml7 h SER 177 Cb 0.16 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 1ml7 h SER 177 CO -0.02 0.92 0.57 -0.07 -1.14 0.00 0.00 176.83 177.09 1ml7 h LEU 178 N 0.98 1.07 -0.40 5.07 3.38 -1.10 -0.55 115.31 123.76 1ml7 h LEU 178 Ca 0.22 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1ml7 h LEU 178 Cb 0.29 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1ml7 h LEU 178 CO -0.01 0.81 0.12 0.11 0.09 0.00 0.00 178.44 179.56 1ml7 h LYS 179 N 1.24 0.63 0.00 1.13 1.57 -1.09 -2.96 116.57 117.09 1ml7 h LYS 179 Ca 0.33 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 1ml7 h LYS 179 Cb -0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1ml7 h LYS 179 CO -0.07 0.63 -0.41 0.66 -0.57 0.00 0.00 179.45 179.70 1ml7 h SER 180 N 0.50 0.00 0.43 0.86 4.64 -0.93 -2.78 113.55 116.27 1ml7 h SER 180 Ca 0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1ml7 h SER 180 Cb 0.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1ml7 h SER 180 CO -0.00 0.41 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.25 1ml7 h LEU 181 N 0.00 0.00 -2.10 5.97 3.38 -0.93 -2.25 115.31 119.38 1ml7 h LEU 181 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1ml7 h LEU 181 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1ml7 h LEU 181 CO 0.05 0.04 0.32 -0.07 0.09 0.00 0.00 178.44 178.88 1ml7 h LEU 182 N 0.00 0.00 -0.66 1.67 3.38 -1.51 -1.60 115.31 116.58 1ml7 h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ml7 h LEU 182 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ml7 h LEU 182 CO 0.01 0.00 -0.18 0.35 0.09 0.00 0.00 178.44 178.71 1ml7 n THR 183 N -3.71 0.00 0.96 0.22 -2.24 -0.85 -4.70 114.28 103.96 1ml7 n THR 183 Ca 0.04 -0.17 0.12 0.00 -2.27 0.00 0.00 64.05 61.76 1ml7 n THR 183 Cb 0.47 0.45 0.10 0.00 -2.10 0.00 0.00 70.33 69.25 1ml7 n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79