#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8m s GLU 17 N 0.00 1.68 0.34 2.12 2.02 -1.26 -5.10 118.70 118.50 1q8m s GLU 17 Ca 0.00 -2.34 -0.26 0.00 0.02 0.00 0.00 54.97 52.40 1q8m s GLU 17 Cb 0.00 -2.94 -0.10 0.00 0.10 0.00 0.00 34.13 31.19 1q8m s GLU 17 CO 0.00 -1.12 0.97 -0.51 0.02 0.00 0.00 175.26 174.62 1q8m s LEU 18 N 0.04 4.30 0.27 1.80 1.43 -1.26 -5.07 118.68 120.19 1q8m s LEU 18 Ca 0.17 1.89 0.08 0.00 -1.03 0.00 0.00 54.13 55.24 1q8m s LEU 18 Cb -0.25 -4.05 -0.06 0.00 0.03 0.00 0.00 46.19 41.87 1q8m s LEU 18 CO -0.01 -0.16 -0.11 -0.13 0.23 0.00 0.00 176.35 176.18 1q8m s ARG 19 N -2.15 1.56 -0.24 1.70 0.52 -1.26 -5.12 118.95 113.97 1q8m s ARG 19 Ca 0.52 -1.76 -0.16 0.00 -0.52 0.00 0.00 55.73 53.80 1q8m s ARG 19 Cb -0.19 -1.33 -0.04 0.00 0.52 0.00 0.00 34.95 33.91 1q8m s ARG 19 CO 0.25 0.13 0.42 0.00 0.02 0.00 0.00 175.30 176.12 1q8m s ALA 20 N -2.86 3.57 -0.07 2.13 0.00 -1.26 -4.92 121.76 118.34 1q8m s ALA 20 Ca 0.28 -0.65 0.11 0.00 0.00 0.00 0.00 51.96 51.70 1q8m s ALA 20 Cb 0.01 -2.73 0.16 0.00 0.00 0.00 0.00 23.12 20.57 1q8m s ALA 20 CO 0.12 -0.55 1.07 0.00 0.00 0.00 0.00 175.76 176.40 1q8m n ALA 21 N 5.07 2.12 -3.11 0.00 0.00 -1.26 -5.06 120.51 118.27 1q8m n ALA 21 Ca -0.07 -1.91 -0.11 0.00 0.00 0.00 0.00 53.44 51.35 1q8m n ALA 21 Cb 0.51 -0.40 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 1q8m n ALA 21 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1q8m s THR 22 N -1.67 0.08 -0.05 0.00 -4.23 -1.26 -5.15 115.64 103.37 1q8m s THR 22 Ca 0.18 -0.69 0.02 0.00 -1.18 0.00 0.00 61.69 60.02 1q8m s THR 22 Cb 0.16 -0.45 0.02 0.00 1.34 0.00 0.00 72.50 73.56 1q8m s THR 22 CO 0.02 -0.38 -0.08 -0.54 -0.54 0.00 0.00 174.62 173.10 1q8m s LYS 23 N -1.40 1.13 -0.40 3.99 1.02 -1.26 -5.11 119.74 117.71 1q8m s LYS 23 Ca -0.15 -0.24 -0.19 0.00 0.02 0.00 0.00 55.97 55.41 1q8m s LYS 23 Cb -0.07 -1.03 0.01 0.00 -0.52 0.00 0.00 37.83 36.22 1q8m s LYS 23 CO 0.02 -0.01 0.54 -0.51 -0.92 0.00 0.00 175.35 174.48 1q8m s LEU 24 N 0.68 4.53 0.08 3.17 1.43 -1.26 -5.05 118.68 122.27 1q8m s LEU 24 Ca -0.11 -0.30 -0.27 0.00 -1.03 0.00 0.00 54.13 52.42 1q8m s LEU 24 Cb -0.14 -2.59 -0.06 0.00 0.03 0.00 0.00 46.19 43.43 1q8m s LEU 24 CO 0.01 -0.62 0.84 0.42 0.23 0.00 0.00 176.35 177.24 1q8m s THR 25 N 2.49 4.60 -0.30 5.49 -4.23 -1.26 -4.89 115.64 117.55 1q8m s THR 25 Ca 0.19 1.80 0.03 0.00 -1.18 0.00 0.00 61.69 62.53 1q8m s THR 25 Cb -0.15 -4.20 0.08 0.00 1.34 0.00 0.00 72.50 69.57 1q8m s THR 25 CO 0.16 0.37 -0.02 -0.70 -0.54 0.00 0.00 174.62 173.88 1q8m s GLU 26 N -0.16 1.73 -0.07 3.99 -6.30 -1.26 -2.03 118.70 114.59 1q8m s GLU 26 Ca 0.41 -1.54 -0.32 0.00 -2.50 0.00 0.00 54.97 51.02 1q8m s GLU 26 Cb -0.22 -2.95 -0.10 0.00 0.00 0.00 0.00 34.13 30.86 1q8m s GLU 26 CO 0.26 -0.77 1.97 0.39 0.02 0.00 0.00 175.26 177.13 1q8m n GLU 27 N 4.40 2.34 -2.70 4.30 -0.58 -0.56 -4.62 120.64 123.22 1q8m n GLU 27 Ca -0.05 0.83 -0.42 0.00 -0.42 0.00 0.00 57.16 57.10 1q8m n GLU 27 Cb 0.42 -2.82 -0.03 0.00 -0.57 0.00 0.00 31.44 28.45 1q8m n GLU 27 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1q8m s LYS 28 N 4.57 4.37 -0.18 3.49 2.36 -1.26 0.42 119.74 133.51 1q8m s LYS 28 Ca 0.93 1.35 0.00 0.00 -2.55 0.00 0.00 55.97 55.70 1q8m s LYS 28 Cb -0.58 -3.57 0.04 0.00 -1.05 0.00 0.00 37.83 32.67 1q8m s LYS 28 CO 0.47 -0.39 -0.09 -0.47 1.55 0.00 0.00 175.35 176.41 1q8m s TYR 29 N 2.32 2.13 -0.17 4.03 5.04 0.68 -4.91 117.35 126.46 1q8m s TYR 29 Ca 0.46 -1.37 -0.09 0.00 -2.44 0.00 0.00 57.07 53.64 1q8m s TYR 29 Cb -0.17 -1.52 -0.05 0.00 0.35 0.00 0.00 41.96 40.57 1q8m s TYR 29 CO 0.14 -0.69 0.13 -1.21 -1.34 0.00 0.00 175.55 172.58 1q8m s GLU 30 N 1.49 3.94 0.10 4.97 2.02 -1.26 -1.01 118.70 128.96 1q8m s GLU 30 Ca 0.00 -0.21 -0.01 0.00 0.02 0.00 0.00 54.97 54.78 1q8m s GLU 30 Cb -0.15 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.71 1q8m s GLU 30 CO -0.08 0.44 0.01 -0.51 0.02 0.00 0.00 175.26 175.14 1q8m s LEU 31 N -0.05 2.12 0.13 1.80 1.43 -0.75 -4.98 118.68 118.38 1q8m s LEU 31 Ca 0.10 -1.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.09 1q8m s LEU 31 Cb -0.11 0.21 -0.04 0.00 0.03 0.00 0.00 46.19 46.28 1q8m s LEU 31 CO -0.00 -0.65 0.28 -0.54 0.23 0.00 0.00 176.35 175.67 1q8m s LYS 32 N -3.98 3.46 0.38 1.70 -0.14 -1.26 -1.42 119.74 118.47 1q8m s LYS 32 Ca 0.17 -0.51 -0.26 0.00 -1.36 0.00 0.00 55.97 54.01 1q8m s LYS 32 Cb 0.07 -2.96 -0.11 0.00 -1.68 0.00 0.00 37.83 33.15 1q8m s LYS 32 CO -0.03 0.52 1.19 -0.85 -0.76 0.00 0.00 175.35 175.43 1q8m n GLU 33 N -0.34 1.81 0.00 1.68 0.28 0.21 -1.97 120.64 122.31 1q8m n GLU 33 Ca -0.06 0.64 0.00 0.00 -0.16 0.00 0.00 57.16 57.58 1q8m n GLU 33 Cb 0.53 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 31.17 1q8m n GLU 33 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1q8m n GLY 34 N 0.92 3.15 3.95 -1.84 0.00 0.63 -4.89 105.19 107.10 1q8m n GLY 34 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1q8m n GLY 34 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1q8m s GLN 35 N -0.41 1.31 -0.19 1.61 -2.07 -0.83 -4.17 119.66 114.91 1q8m s GLN 35 Ca 0.00 -0.54 -0.01 0.00 -1.82 0.00 0.00 55.36 52.99 1q8m s GLN 35 Cb 0.00 -2.05 0.00 0.00 -1.09 0.00 0.00 33.01 29.87 1q8m s GLN 35 CO 0.00 -1.87 -0.12 0.99 -1.32 0.00 0.00 175.29 172.97 1q8m s THR 36 N -3.54 2.80 -0.18 3.63 2.01 -1.26 -0.50 115.64 118.59 1q8m s THR 36 Ca 0.68 -0.70 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 1q8m s THR 36 Cb -0.06 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 1q8m s THR 36 CO 0.49 0.49 1.33 -0.22 -0.69 0.00 0.00 174.62 176.01 1q8m s LEU 37 N 1.20 4.13 -0.33 4.42 1.98 -0.20 -4.87 118.68 125.01 1q8m s LEU 37 Ca 0.02 1.66 0.01 0.00 -2.89 0.00 0.00 54.13 52.92 1q8m s LEU 37 Cb -0.14 -3.54 0.08 0.00 0.66 0.00 0.00 46.19 43.25 1q8m s LEU 37 CO -0.05 -0.86 0.04 -0.62 -1.89 0.00 0.00 176.35 172.97 1q8m s ASP 38 N 2.38 4.84 -0.07 3.68 -1.08 -1.26 -0.53 116.67 124.64 1q8m s ASP 38 Ca 0.58 -1.75 0.03 0.00 -0.52 0.00 0.00 52.55 50.88 1q8m s ASP 38 Cb -0.22 -1.68 -0.02 0.00 -1.46 0.00 0.00 42.92 39.54 1q8m s ASP 38 CO 0.18 -0.35 -0.13 -0.69 0.52 0.00 0.00 175.17 174.70 1q8m s VAL 39 N 1.08 3.11 -0.30 1.11 1.01 0.29 -4.98 120.40 121.72 1q8m s VAL 39 Ca 0.02 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1q8m s VAL 39 Cb -0.20 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 33.98 1q8m s VAL 39 CO -0.05 0.58 0.02 -0.54 0.00 0.00 0.00 175.10 175.11 1q8m s LYS 40 N -0.50 2.64 -0.46 2.72 1.02 -1.26 0.68 119.74 124.58 1q8m s LYS 40 Ca 0.07 -1.14 -0.19 0.00 0.02 0.00 0.00 55.97 54.74 1q8m s LYS 40 Cb -0.12 -3.23 0.04 0.00 -0.52 0.00 0.00 37.83 34.00 1q8m s LYS 40 CO 0.02 -0.56 0.55 0.00 -0.92 0.00 0.00 175.35 174.43 1q8m s ASP 42 N 2.24 6.17 0.00 0.00 2.15 -1.26 0.12 116.67 126.09 1q8m s ASP 42 Ca 0.15 -0.80 0.23 0.00 0.43 0.00 0.00 52.55 52.56 1q8m s ASP 42 Cb -0.18 -2.47 0.17 0.00 -0.30 0.00 0.00 42.92 40.15 1q8m s ASP 42 CO 0.14 -1.58 1.18 0.00 -0.17 0.00 0.00 175.17 174.74 1q8m n TYR 43 N 8.29 0.00 0.00 -5.34 4.11 -0.93 -4.93 117.16 118.36 1q8m n TYR 43 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.89 1q8m n TYR 43 Cb 0.47 -0.12 0.00 0.00 -0.00 0.00 0.00 39.34 39.68 1q8m n TYR 43 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 1q8m n THR 44 N -1.38 0.00 -1.43 -3.48 5.66 0.37 -4.75 114.28 109.27 1q8m n THR 44 Ca 0.05 0.00 -0.56 0.00 -3.05 0.00 0.00 64.05 60.50 1q8m n THR 44 Cb 0.34 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.04 1q8m n THR 44 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1q8m n LEU 45 N 0.00 0.93 0.12 1.09 4.77 -1.26 -4.74 117.00 117.91 1q8m n LEU 45 Ca 0.00 0.98 0.16 0.00 -0.03 0.00 0.00 56.01 57.12 1q8m n LEU 45 Cb 0.00 -0.73 0.71 0.00 -2.33 0.00 0.00 43.42 41.07 1q8m n LEU 45 CO 0.00 -0.76 1.14 -0.08 -1.33 0.00 0.00 177.39 176.37 1q8m h GLU 46 N 4.02 0.00 -1.12 3.23 4.81 -1.97 -2.32 114.58 121.23 1q8m h GLU 46 Ca -0.37 0.00 0.31 0.00 -0.13 0.00 0.00 59.36 59.17 1q8m h GLU 46 Cb 1.14 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.45 1q8m h GLU 46 CO 0.79 0.00 0.77 0.87 -0.73 0.00 0.00 179.01 180.71 1q8m h LYS 47 N 0.00 0.15 -0.01 1.92 1.57 -1.95 -1.51 116.57 116.75 1q8m h LYS 47 Ca 0.14 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1q8m h LYS 47 Cb 0.60 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1q8m h LYS 47 CO -0.00 0.10 -0.45 1.19 -0.57 0.00 0.00 179.45 179.71 1q8m n PHE 48 N -4.37 0.00 -0.20 -1.35 3.72 -0.87 -4.60 117.46 109.79 1q8m n PHE 48 Ca 0.25 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.53 1q8m n PHE 48 Cb 1.09 -0.09 -0.08 0.00 -0.94 0.00 0.00 39.48 39.46 1q8m n PHE 48 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1q8m h ALA 49 N 3.54 -0.64 0.00 4.37 0.00 -1.42 -0.47 119.26 124.64 1q8m h ALA 49 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1q8m h ALA 49 Cb 0.57 1.13 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1q8m h ALA 49 CO 0.00 -0.99 0.00 -1.13 0.00 0.00 0.00 179.25 177.13 1q8m n SER 50 N -5.37 0.27 -4.76 0.00 3.41 -1.26 -4.57 113.62 101.33 1q8m n SER 50 Ca -0.01 0.54 -0.39 0.00 -0.26 0.00 0.00 58.87 58.75 1q8m n SER 50 Cb 0.33 -0.61 0.01 0.00 -0.26 0.00 0.00 64.21 63.68 1q8m n SER 50 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1q8m s SER 51 N -3.50 5.96 0.29 4.04 0.01 -0.18 -0.37 113.70 119.94 1q8m s SER 51 Ca 0.10 2.64 -0.29 0.00 1.31 0.00 0.00 55.95 59.71 1q8m s SER 51 Cb 0.14 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.64 1q8m s SER 51 CO 0.45 -1.09 1.20 -1.58 0.41 0.00 0.00 173.24 172.62 1q8m s GLN 52 N -2.54 4.51 0.21 12.44 0.74 -1.26 -4.26 119.66 129.51 1q8m s GLN 52 Ca 0.63 1.98 0.02 0.00 0.05 0.00 0.00 55.36 58.04 1q8m s GLN 52 Cb -0.37 -3.15 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 1q8m s GLN 52 CO 0.46 0.01 0.02 0.15 -0.55 0.00 0.00 175.29 175.39 1q8m s LYS 53 N -1.42 1.25 0.21 1.67 1.02 -1.26 -0.65 119.74 120.56 1q8m s LYS 53 Ca 0.47 -1.63 -0.23 0.00 0.02 0.00 0.00 55.97 54.61 1q8m s LYS 53 Cb -0.35 -0.39 0.05 0.00 -0.52 0.00 0.00 37.83 36.61 1q8m s LYS 53 CO 0.45 -0.15 0.71 0.00 -0.92 0.00 0.00 175.35 175.44 1q8m s ALA 54 N -3.59 -1.44 -0.16 5.17 0.00 -0.10 -0.43 121.76 121.21 1q8m s ALA 54 Ca 0.28 0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 1q8m s ALA 54 Cb 0.06 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 1q8m s ALA 54 CO 0.08 -0.92 -0.08 -0.46 0.00 0.00 0.00 175.76 174.37 1q8m s TRP 55 N -3.75 2.91 0.09 0.00 -0.11 0.35 -0.39 118.94 118.04 1q8m s TRP 55 Ca 0.07 -0.59 0.03 0.00 1.22 0.00 0.00 56.10 56.82 1q8m s TRP 55 Cb -0.03 -1.93 -0.04 0.00 -1.50 0.00 0.00 33.47 29.97 1q8m s TRP 55 CO -0.02 -0.22 -0.08 -0.65 -4.62 0.00 0.00 176.95 171.36 1q8m s GLN 56 N 0.57 0.79 -0.14 5.86 -0.21 -0.18 -0.19 119.66 126.17 1q8m s GLN 56 Ca -0.06 -1.18 -0.02 0.00 0.02 0.00 0.00 55.36 54.13 1q8m s GLN 56 Cb -0.15 -0.35 -0.02 0.00 1.00 0.00 0.00 33.01 33.49 1q8m s GLN 56 CO 0.03 0.03 -0.08 -1.50 -2.12 0.00 0.00 175.29 171.65 1q8m s ILE 57 N -2.83 3.55 -0.15 1.08 2.07 -0.45 -1.17 121.20 123.30 1q8m s ILE 57 Ca 0.06 -0.49 -0.17 0.00 -1.41 0.00 0.00 60.65 58.64 1q8m s ILE 57 Cb -0.00 -2.52 -0.04 0.00 0.13 0.00 0.00 42.46 40.03 1q8m s ILE 57 CO -0.02 0.52 0.43 -0.63 -1.91 0.00 0.00 174.94 173.33 1q8m s ILE 58 N 0.23 5.21 0.52 2.00 -1.09 0.10 -0.84 121.20 127.33 1q8m s ILE 58 Ca -0.05 0.83 0.08 0.00 -2.23 0.00 0.00 60.65 59.29 1q8m s ILE 58 Cb -0.14 -3.77 0.05 0.00 -1.58 0.00 0.00 42.46 37.01 1q8m s ILE 58 CO 0.04 0.31 0.60 -0.13 -1.23 0.00 0.00 174.94 174.53 1q8m s ARG 59 N 0.80 2.42 0.43 2.79 1.81 -0.08 -4.54 118.95 122.58 1q8m s ARG 59 Ca 0.23 -1.64 -0.24 0.00 -1.72 0.00 0.00 55.73 52.35 1q8m s ARG 59 Cb -0.15 -2.50 -0.10 0.00 -0.45 0.00 0.00 34.95 31.75 1q8m s ARG 59 CO 0.08 -0.60 1.06 -0.25 -0.68 0.00 0.00 175.30 174.92 1q8m n ASP 60 N -1.96 1.51 -0.33 0.23 8.00 -1.26 -2.77 116.55 119.97 1q8m n ASP 60 Ca 0.09 1.04 -0.03 0.00 0.71 0.00 0.00 54.79 56.60 1q8m n ASP 60 Cb 0.62 -1.39 -0.00 0.00 -0.02 0.00 0.00 41.12 40.33 1q8m n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q8m n GLY 61 N 1.11 0.26 3.16 0.44 0.00 -1.26 -3.64 105.19 105.27 1q8m n GLY 61 Ca 0.09 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.11 1q8m n GLY 61 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q8m n GLU 62 N -1.35 -4.77 -3.45 1.61 -0.58 -1.18 -4.95 120.64 105.97 1q8m n GLU 62 Ca -0.03 0.80 -0.43 0.00 -0.42 0.00 0.00 57.16 57.07 1q8m n GLU 62 Cb 0.51 -5.64 -0.07 0.00 -0.57 0.00 0.00 31.44 25.67 1q8m n GLU 62 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1q8m s MET 63 N -5.84 2.74 0.44 3.49 -1.94 -1.12 -4.94 119.30 112.13 1q8m s MET 63 Ca 0.35 -1.66 -0.18 0.00 -1.71 0.00 0.00 55.69 52.50 1q8m s MET 63 Cb -0.17 -4.07 -0.09 0.00 2.01 0.00 0.00 34.83 32.52 1q8m s MET 63 CO 0.44 -1.19 0.92 -1.25 -0.01 0.00 0.00 175.02 173.93 1q8m s PRO 64 N 1.49 4.07 -0.23 2.03 0.04 -1.26 -0.90 135.00 140.24 1q8m s PRO 64 Ca 0.04 0.96 0.02 0.00 0.04 0.00 0.00 61.00 62.06 1q8m s PRO 64 Cb -0.27 -2.21 0.04 0.00 0.04 0.00 0.00 34.50 32.10 1q8m s PRO 64 CO 0.02 -0.09 -0.14 0.21 0.04 0.00 0.00 177.00 177.04 1q8m s LYS 65 N -3.51 2.49 -0.27 4.56 2.20 -0.02 -4.93 119.74 120.26 1q8m s LYS 65 Ca 0.59 -1.12 -0.29 0.00 -0.36 0.00 0.00 55.97 54.80 1q8m s LYS 65 Cb -0.10 -2.73 -0.02 0.00 -1.51 0.00 0.00 37.83 33.47 1q8m s LYS 65 CO 0.21 -0.43 1.59 0.99 -0.36 0.00 0.00 175.35 177.36 1q8m s THR 66 N 1.20 3.73 -0.16 3.43 2.01 -1.26 -1.34 115.64 123.24 1q8m s THR 66 Ca -0.03 0.80 0.18 0.00 0.31 0.00 0.00 61.69 62.95 1q8m s THR 66 Cb -0.17 -3.79 -0.08 0.00 0.01 0.00 0.00 72.50 68.47 1q8m s THR 66 CO -0.08 -0.38 0.95 -0.07 -0.69 0.00 0.00 174.62 174.35 1q8m h LEU 67 N 11.98 0.00 -7.00 4.42 3.38 -0.94 -3.48 115.31 123.67 1q8m h LEU 67 Ca -0.32 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.73 1q8m h LEU 67 Cb 1.14 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.63 1q8m h LEU 67 CO 1.02 0.42 0.54 0.00 0.09 0.00 0.00 178.44 180.51 1q8m s ALA 68 N -3.04 -2.01 0.03 1.53 0.00 -1.13 -4.96 121.76 112.19 1q8m s ALA 68 Ca -0.02 1.81 0.02 0.00 0.00 0.00 0.00 51.96 53.77 1q8m s ALA 68 Cb 0.09 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 1q8m s ALA 68 CO 0.80 -0.23 -0.06 0.00 0.00 0.00 0.00 175.76 176.27 1q8m s THR 70 N -1.33 1.85 0.80 0.00 -4.23 0.43 -4.98 115.64 108.18 1q8m s THR 70 Ca -0.11 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.30 1q8m s THR 70 Cb -0.10 -2.73 0.12 0.00 1.34 0.00 0.00 72.50 71.13 1q8m s THR 70 CO -0.00 0.00 1.13 -1.61 -0.54 0.00 0.00 174.62 173.60 1q8m s GLU 71 N -5.51 1.61 -0.18 3.99 2.02 -1.26 -4.65 118.70 114.73 1q8m s GLU 71 Ca 0.70 -0.37 0.01 0.00 0.02 0.00 0.00 54.97 55.33 1q8m s GLU 71 Cb -0.10 -2.06 0.03 0.00 0.10 0.00 0.00 34.13 32.11 1q8m s GLU 71 CO 0.54 -1.68 -0.12 0.50 0.02 0.00 0.00 175.26 174.51 1q8m s ARG 72 N -5.48 2.20 1.03 1.61 3.52 -1.26 -2.56 118.95 118.01 1q8m s ARG 72 Ca 0.66 -0.73 -0.15 0.00 -0.13 0.00 0.00 55.73 55.38 1q8m s ARG 72 Cb -0.08 -2.30 0.20 0.00 -1.56 0.00 0.00 34.95 31.22 1q8m s ARG 72 CO 0.48 -0.34 1.13 -1.25 -0.81 0.00 0.00 175.30 174.51 1q8m s PRO 73 N 1.42 0.16 -0.33 5.12 0.04 -1.26 -5.08 135.00 135.07 1q8m s PRO 73 Ca 0.02 0.20 -0.22 0.00 0.04 0.00 0.00 61.00 61.04 1q8m s PRO 73 Cb -0.15 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1q8m s PRO 73 CO -0.09 -2.85 0.71 0.45 0.04 0.00 0.00 177.00 175.26 1q8m s SER 74 N -3.86 6.54 -0.13 6.66 0.15 0.50 -4.94 113.70 118.61 1q8m s SER 74 Ca 0.67 0.41 -0.19 0.00 0.70 0.00 0.00 55.95 57.54 1q8m s SER 74 Cb -0.14 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 1q8m s SER 74 CO 0.56 -0.61 0.51 -0.54 1.20 0.00 0.00 173.24 174.35 1q8m s LYS 75 N 2.85 4.31 0.11 5.44 1.02 -1.26 -4.51 119.74 127.71 1q8m s LYS 75 Ca 0.29 0.48 -0.35 0.00 0.02 0.00 0.00 55.97 56.41 1q8m s LYS 75 Cb -0.14 -3.47 -0.18 0.00 -0.52 0.00 0.00 37.83 33.52 1q8m s LYS 75 CO 0.14 0.07 0.95 -1.71 -0.92 0.00 0.00 175.35 173.89 1q8m n ASN 76 N 3.96 0.09 -4.11 2.83 5.15 -1.26 -2.94 115.26 118.97 1q8m n ASN 76 Ca -0.06 1.15 -0.45 0.00 -0.60 0.00 0.00 54.58 54.62 1q8m n ASN 76 Cb 0.51 -1.02 0.01 0.00 -0.53 0.00 0.00 39.78 38.75 1q8m n ASN 76 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1q8m n SER 77 N 1.82 -3.46 -3.60 1.20 7.64 0.09 -4.91 113.62 112.40 1q8m n SER 77 Ca 0.18 -1.30 -0.29 0.00 1.01 0.00 0.00 58.87 58.47 1q8m n SER 77 Cb 0.18 -1.66 -0.08 0.00 -1.01 0.00 0.00 64.21 61.64 1q8m n SER 77 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1q8m n HIS 78 N -5.01 3.52 -0.71 1.43 8.25 -1.15 -4.99 115.22 116.55 1q8m n HIS 78 Ca -0.14 -4.09 -0.29 0.00 -0.26 0.00 0.00 57.72 52.95 1q8m n HIS 78 Cb 0.58 -0.65 -0.05 0.00 1.12 0.00 0.00 29.99 30.99 1q8m n HIS 78 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1q8m n PRO 79 N 1.18 0.00 -3.66 -0.41 -0.02 -1.26 -4.88 135.00 125.96 1q8m n PRO 79 Ca 0.27 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.36 1q8m n PRO 79 Cb 0.39 -0.66 -0.12 0.00 -0.02 0.00 0.00 33.50 33.09 1q8m n PRO 79 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1q8m s VAL 80 N 1.68 4.46 -0.12 -1.45 1.01 0.73 -4.94 120.40 121.78 1q8m s VAL 80 Ca 0.48 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1q8m s VAL 80 Cb -0.66 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 1q8m s VAL 80 CO 0.34 -0.00 -0.21 -1.10 0.00 0.00 0.00 175.10 174.13 1q8m s GLN 81 N 1.57 3.13 -0.15 2.72 -0.21 -1.26 -0.48 119.66 124.99 1q8m s GLN 81 Ca 0.03 -0.82 -0.05 0.00 0.02 0.00 0.00 55.36 54.54 1q8m s GLN 81 Cb -0.18 -2.42 0.07 0.00 1.00 0.00 0.00 33.01 31.49 1q8m s GLN 81 CO 0.06 0.15 0.30 0.54 -2.12 0.00 0.00 175.29 174.21 1q8m s VAL 82 N 0.45 -0.47 0.00 1.09 0.11 -0.84 -5.02 120.40 115.73 1q8m s VAL 82 Ca -0.14 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1q8m s VAL 82 Cb -0.17 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 1q8m s VAL 82 CO 0.06 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 1q8m n GLY 83 N 5.35 2.80 1.79 6.54 0.00 -1.26 -1.35 105.19 119.06 1q8m n GLY 83 Ca -0.07 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 1q8m n GLY 83 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1q8m n ARG 84 N 13.71 2.11 -4.03 1.61 1.85 -1.26 -4.91 116.66 125.74 1q8m n ARG 84 Ca 0.00 -3.12 -0.35 0.00 -1.00 0.00 0.00 57.85 53.38 1q8m n ARG 84 Cb 0.00 -2.03 -0.11 0.00 -1.05 0.00 0.00 32.46 29.27 1q8m n ARG 84 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1q8m s ILE 85 N -3.36 4.55 -0.10 8.89 1.01 -0.45 -0.56 121.20 131.18 1q8m s ILE 85 Ca 0.52 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 61.09 1q8m s ILE 85 Cb 0.45 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.87 1q8m s ILE 85 CO 0.06 0.44 -0.21 -0.63 0.00 0.00 0.00 174.94 174.59 1q8m s ILE 86 N 0.61 1.86 -0.10 2.92 1.01 0.32 -1.98 121.20 125.84 1q8m s ILE 86 Ca 0.02 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1q8m s ILE 86 Cb -0.13 -1.63 -0.00 0.00 0.01 0.00 0.00 42.46 40.71 1q8m s ILE 86 CO 0.02 0.52 -0.23 -0.76 0.00 0.00 0.00 174.94 174.48 1q8m s LEU 87 N 0.45 2.13 -0.15 2.97 1.02 0.37 -1.35 118.68 124.12 1q8m s LEU 87 Ca -0.17 -0.55 -0.03 0.00 0.02 0.00 0.00 54.13 53.40 1q8m s LEU 87 Cb -0.17 -1.42 0.05 0.00 0.02 0.00 0.00 46.19 44.66 1q8m s LEU 87 CO 0.07 0.16 0.06 -1.61 0.02 0.00 0.00 176.35 175.04 1q8m s GLU 88 N 0.37 0.31 -0.36 1.70 2.02 -0.55 -0.19 118.70 121.99 1q8m s GLU 88 Ca -0.18 -0.10 -0.19 0.00 0.02 0.00 0.00 54.97 54.52 1q8m s GLU 88 Cb -0.18 -1.62 0.00 0.00 0.10 0.00 0.00 34.13 32.44 1q8m s GLU 88 CO 0.08 -0.56 0.54 0.34 0.02 0.00 0.00 175.26 175.68 1q8m s ASP 89 N 2.03 6.33 -0.86 -0.19 -1.08 -1.26 -0.20 116.67 121.44 1q8m s ASP 89 Ca 0.02 -0.04 -0.13 0.00 -0.52 0.00 0.00 52.55 51.87 1q8m s ASP 89 Cb -0.15 -2.28 0.23 0.00 -1.46 0.00 0.00 42.92 39.25 1q8m s ASP 89 CO -0.07 -0.53 0.80 -0.31 0.52 0.00 0.00 175.17 175.58 1q8m s TYR 90 N 2.47 3.82 0.17 -5.34 2.02 -0.39 -0.73 117.35 119.37 1q8m s TYR 90 Ca 0.20 -2.11 -0.19 0.00 -0.37 0.00 0.00 57.07 54.60 1q8m s TYR 90 Cb -0.15 -3.80 0.08 0.00 -0.40 0.00 0.00 41.96 37.69 1q8m s TYR 90 CO 0.14 -0.98 1.64 0.45 -1.57 0.00 0.00 175.55 175.23 1q8m h HIS 91 N 7.61 -0.47 -0.85 2.71 3.86 -1.92 0.32 115.15 126.42 1q8m h HIS 91 Ca 0.11 0.04 0.14 0.00 -1.16 0.00 0.00 60.37 59.51 1q8m h HIS 91 Cb 1.02 0.26 -0.15 0.00 1.06 0.00 0.00 27.41 29.61 1q8m h HIS 91 CO 1.00 -0.27 -0.35 0.38 0.86 0.00 0.00 177.93 179.54 1q8m h ASP 92 N -0.13 -1.28 0.73 2.45 2.03 -1.95 0.19 116.42 118.46 1q8m h ASP 92 Ca 0.18 0.28 0.00 0.00 -0.73 0.00 0.00 57.03 56.76 1q8m h ASP 92 Cb 0.41 0.68 0.00 0.00 -0.83 0.00 0.00 39.33 39.58 1q8m h ASP 92 CO -0.45 -0.29 -0.49 1.41 -1.03 0.00 0.00 179.24 178.39 1q8m n HIS 93 N -5.47 0.26 -2.92 4.15 8.25 -0.90 -4.97 115.22 113.61 1q8m n HIS 93 Ca 0.08 0.08 -0.10 0.00 -0.26 0.00 0.00 57.72 57.52 1q8m n HIS 93 Cb 0.39 -0.47 0.04 0.00 1.12 0.00 0.00 29.99 31.07 1q8m n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q8m n GLY 94 N 1.43 0.26 3.21 -1.41 0.00 0.11 -4.79 105.19 103.99 1q8m n GLY 94 Ca 0.05 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 1q8m n GLY 94 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1q8m s LEU 95 N -3.81 1.02 -0.24 0.99 2.34 -1.10 -0.48 118.68 117.41 1q8m s LEU 95 Ca 0.22 0.00 -0.08 0.00 0.06 0.00 0.00 54.13 54.32 1q8m s LEU 95 Cb -0.10 1.13 -0.04 0.00 -0.56 0.00 0.00 46.19 46.63 1q8m s LEU 95 CO 0.32 -0.44 0.10 -0.22 -1.06 0.00 0.00 176.35 175.06 1q8m s LEU 96 N -1.38 3.69 -0.21 1.48 0.20 0.12 -1.26 118.68 121.32 1q8m s LEU 96 Ca -0.14 -0.08 -0.17 0.00 0.69 0.00 0.00 54.13 54.44 1q8m s LEU 96 Cb -0.06 -1.99 -0.04 0.00 -0.43 0.00 0.00 46.19 43.68 1q8m s LEU 96 CO 0.03 0.01 0.44 -0.60 -0.29 0.00 0.00 176.35 175.94 1q8m s ARG 97 N 1.36 4.16 -0.13 1.98 3.52 0.71 0.28 118.95 130.84 1q8m s ARG 97 Ca 0.06 0.25 0.01 0.00 -0.13 0.00 0.00 55.73 55.92 1q8m s ARG 97 Cb -0.15 -3.56 -0.01 0.00 -1.56 0.00 0.00 34.95 29.68 1q8m s ARG 97 CO 0.05 -0.11 -0.18 0.08 -0.81 0.00 0.00 175.30 174.33 1q8m s VAL 98 N 1.53 2.57 -0.03 7.11 1.01 0.21 -1.49 120.40 131.31 1q8m s VAL 98 Ca 0.20 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1q8m s VAL 98 Cb -0.15 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1q8m s VAL 98 CO 0.09 0.53 -0.13 -0.13 0.00 0.00 0.00 175.10 175.46 1q8m s ARG 99 N 0.49 1.36 -0.29 2.72 0.52 -0.46 0.10 118.95 123.40 1q8m s ARG 99 Ca -0.12 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 54.67 1q8m s ARG 99 Cb -0.16 -1.22 0.07 0.00 0.52 0.00 0.00 34.95 34.16 1q8m s ARG 99 CO 0.05 0.18 -0.05 -1.64 0.02 0.00 0.00 175.30 173.86 1q8m s MET 100 N 0.12 1.98 0.33 3.54 -1.94 0.32 -0.52 119.30 123.13 1q8m s MET 100 Ca -0.03 -1.54 -0.26 0.00 -1.71 0.00 0.00 55.69 52.15 1q8m s MET 100 Cb -0.10 -3.02 -0.10 0.00 2.01 0.00 0.00 34.83 33.62 1q8m s MET 100 CO 0.01 -0.71 0.97 0.08 -0.01 0.00 0.00 175.02 175.36 1q8m s VAL 101 N 1.04 4.10 -0.84 -6.03 1.01 0.27 -1.03 120.40 118.93 1q8m s VAL 101 Ca -0.02 1.73 -0.03 0.00 0.00 0.00 0.00 61.98 63.67 1q8m s VAL 101 Cb -0.20 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1q8m s VAL 101 CO -0.06 0.13 0.65 -3.20 0.00 0.00 0.00 175.10 172.62 1q8m n ASN 102 N 0.48 -5.77 -4.73 3.32 5.15 -1.20 -4.84 115.26 107.67 1q8m n ASN 102 Ca 0.02 -0.71 -0.41 0.00 -0.60 0.00 0.00 54.58 52.89 1q8m n ASN 102 Cb 0.50 -2.92 0.01 0.00 -0.53 0.00 0.00 39.78 36.84 1q8m n ASN 102 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1q8m n LEU 103 N -2.56 4.47 -4.36 1.20 4.77 0.34 -4.59 117.00 116.27 1q8m n LEU 103 Ca -0.20 1.14 -0.26 0.00 -0.03 0.00 0.00 56.01 56.66 1q8m n LEU 103 Cb 0.62 -1.55 -0.13 0.00 -2.33 0.00 0.00 43.42 40.04 1q8m n LEU 103 CO 0.61 -0.35 -0.54 -1.10 -1.33 0.00 0.00 177.39 174.68 1q8m s GLN 104 N -2.24 1.31 0.38 3.23 -0.21 -1.26 -0.27 119.66 120.60 1q8m s GLN 104 Ca 0.59 -1.32 0.16 0.00 0.02 0.00 0.00 55.36 54.82 1q8m s GLN 104 Cb -0.49 -1.67 1.04 0.00 1.00 0.00 0.00 33.01 32.89 1q8m s GLN 104 CO 0.59 0.39 1.76 0.28 -2.12 0.00 0.00 175.29 176.19 1q8m h VAL 105 N 3.80 0.54 0.00 1.09 2.07 -1.93 0.30 116.25 122.12 1q8m h VAL 105 Ca -0.48 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1q8m h VAL 105 Cb 1.18 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1q8m h VAL 105 CO 0.41 0.08 0.00 -0.62 0.02 0.00 0.00 177.57 177.47 1q8m n GLU 106 N -4.68 0.09 0.15 1.57 4.71 -1.26 -2.36 120.64 118.86 1q8m n GLU 106 Ca 0.25 0.15 0.13 0.00 -0.01 0.00 0.00 57.16 57.68 1q8m n GLU 106 Cb 0.83 -1.50 0.47 0.00 -1.01 0.00 0.00 31.44 30.23 1q8m n GLU 106 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1q8m h ASP 107 N 0.00 0.00 -2.96 1.62 3.32 -0.79 -3.44 116.42 114.17 1q8m h ASP 107 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1q8m h ASP 107 Cb 0.28 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.95 1q8m h ASP 107 CO 0.00 0.00 0.28 -1.20 -1.72 0.00 0.00 179.24 176.60 1q8m n SER 108 N -2.44 1.85 0.00 6.45 7.64 -1.00 -4.90 113.62 121.22 1q8m n SER 108 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1q8m n SER 108 Cb 0.32 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1q8m n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q8m n GLY 109 N 1.04 -2.30 3.62 0.23 0.00 -0.45 -4.99 105.19 102.33 1q8m n GLY 109 Ca 0.08 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 1q8m n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1q8m s LEU 110 N 0.00 4.06 0.34 0.99 0.20 -1.26 -0.45 118.68 122.56 1q8m s LEU 110 Ca 0.00 0.13 0.10 0.00 0.69 0.00 0.00 54.13 55.04 1q8m s LEU 110 Cb 0.00 -2.21 -0.06 0.00 -0.43 0.00 0.00 46.19 43.48 1q8m s LEU 110 CO 0.00 -0.05 -0.10 -0.31 -0.29 0.00 0.00 176.35 175.60 1q8m s TYR 111 N 1.61 2.38 -0.08 5.38 2.02 0.19 0.03 117.35 128.88 1q8m s TYR 111 Ca 0.10 -0.50 -0.31 0.00 -0.37 0.00 0.00 57.07 56.00 1q8m s TYR 111 Cb -0.15 -1.35 0.08 0.00 -0.40 0.00 0.00 41.96 40.14 1q8m s TYR 111 CO 0.09 0.58 0.75 1.14 -1.57 0.00 0.00 175.55 176.54 1q8m s GLN 112 N -3.61 0.96 0.40 -0.62 -2.07 -0.32 -0.59 119.66 113.81 1q8m s GLN 112 Ca 0.32 0.25 -0.04 0.00 -1.82 0.00 0.00 55.36 54.07 1q8m s GLN 112 Cb 0.02 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 32.35 1q8m s GLN 112 CO 0.16 -0.29 0.68 0.00 -1.32 0.00 0.00 175.29 174.51 1q8m s VAL 114 N -2.46 -0.01 -0.23 0.00 1.01 0.48 -4.52 120.40 114.67 1q8m s VAL 114 Ca 0.45 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.41 1q8m s VAL 114 Cb -0.10 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1q8m s VAL 114 CO 0.38 0.01 0.01 -0.63 0.00 0.00 0.00 175.10 174.87 1q8m s ILE 115 N 0.45 3.81 -0.04 2.22 1.01 -1.26 -0.93 121.20 126.46 1q8m s ILE 115 Ca -0.02 -0.34 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 1q8m s ILE 115 Cb -0.04 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.62 1q8m s ILE 115 CO -0.02 0.39 1.54 -0.31 0.00 0.00 0.00 174.94 176.53 1q8m s TYR 116 N 1.48 2.38 0.11 3.97 4.12 0.17 -4.98 117.35 124.61 1q8m s TYR 116 Ca 0.06 0.48 0.08 0.00 0.02 0.00 0.00 57.07 57.71 1q8m s TYR 116 Cb -0.15 -3.80 -0.04 0.00 -1.52 0.00 0.00 41.96 36.45 1q8m s TYR 116 CO 0.00 -3.21 -0.20 -0.65 0.02 0.00 0.00 175.55 171.50 1q8m s GLN 117 N 3.35 1.15 0.45 -0.62 -0.21 -1.26 -4.57 119.66 117.94 1q8m s GLN 117 Ca 0.69 -1.20 -0.24 0.00 0.02 0.00 0.00 55.36 54.62 1q8m s GLN 117 Cb -0.32 -1.38 -0.07 0.00 1.00 0.00 0.00 33.01 32.23 1q8m s GLN 117 CO 0.27 0.31 1.28 -1.25 -2.12 0.00 0.00 175.29 173.78 1q8m s PRO 118 N -2.04 3.73 0.58 2.91 0.04 -1.26 -4.93 135.00 134.02 1q8m s PRO 118 Ca 0.08 2.07 0.27 0.00 0.04 0.00 0.00 61.00 63.46 1q8m s PRO 118 Cb -0.09 -2.55 1.65 0.00 0.04 0.00 0.00 34.50 33.55 1q8m s PRO 118 CO 0.05 -0.66 2.16 -1.00 0.04 0.00 0.00 177.00 177.59 1q8m h PRO 119 N 2.23 0.00 0.00 0.56 0.13 -2.00 -3.04 132.00 129.89 1q8m h PRO 119 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1q8m h PRO 119 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1q8m h PRO 119 CO 0.61 0.00 -0.17 0.87 -0.23 0.00 0.00 178.00 179.08 1q8m h LYS 120 N 0.00 0.00 -6.21 0.86 1.57 -2.07 -3.47 116.57 107.25 1q8m h LYS 120 Ca 0.05 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.35 1q8m h LYS 120 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1q8m h LYS 120 CO -0.00 0.00 -0.44 -1.83 -0.57 0.00 0.00 179.45 176.60 1q8m s GLU 121 N -3.19 3.17 0.47 3.15 -1.05 -1.15 -5.07 118.70 115.02 1q8m s GLU 121 Ca 0.07 -0.94 -0.24 0.00 -0.15 0.00 0.00 54.97 53.71 1q8m s GLU 121 Cb 0.08 -2.74 -0.07 0.00 -0.44 0.00 0.00 34.13 30.96 1q8m s GLU 121 CO 0.67 0.33 1.30 -2.14 0.95 0.00 0.00 175.26 176.36 1q8m s PRO 122 N -3.97 3.59 -0.15 -4.83 0.02 -1.26 -4.91 135.00 123.49 1q8m s PRO 122 Ca 0.36 2.10 -0.12 0.00 0.02 0.00 0.00 61.00 63.37 1q8m s PRO 122 Cb -0.08 -2.47 -0.05 0.00 0.02 0.00 0.00 34.50 31.91 1q8m s PRO 122 CO 0.28 -0.79 0.23 -1.01 -0.33 0.00 0.00 177.00 175.38 1q8m s HIS 123 N -1.35 3.49 -0.25 6.54 3.76 -1.26 -5.02 115.29 121.20 1q8m s HIS 123 Ca 0.64 0.54 -0.19 0.00 -0.15 0.00 0.00 55.06 55.91 1q8m s HIS 123 Cb -0.37 -2.21 -0.02 0.00 1.11 0.00 0.00 32.58 31.09 1q8m s HIS 123 CO 0.45 0.38 0.56 -1.64 -0.85 0.00 0.00 174.74 173.65 1q8m s MET 124 N 0.03 4.10 -0.07 1.40 -1.94 -1.26 -5.06 119.30 116.50 1q8m s MET 124 Ca 0.14 0.43 0.01 0.00 -1.71 0.00 0.00 55.69 54.56 1q8m s MET 124 Cb -0.13 -3.64 -0.03 0.00 2.01 0.00 0.00 34.83 33.04 1q8m s MET 124 CO 0.03 -0.36 -0.09 -0.51 -0.01 0.00 0.00 175.02 174.08 1q8m s LEU 125 N 2.34 3.04 0.36 -0.03 1.43 -1.26 -4.78 118.68 119.78 1q8m s LEU 125 Ca 0.24 -0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 53.05 1q8m s LEU 125 Cb -0.16 -1.66 -0.10 0.00 0.03 0.00 0.00 46.19 44.31 1q8m s LEU 125 CO 0.09 0.34 0.86 -0.36 0.23 0.00 0.00 176.35 177.50 1q8m s PHE 126 N -0.66 3.41 0.50 0.29 0.08 -1.26 -5.04 117.98 115.29 1q8m s PHE 126 Ca 0.10 1.48 -0.19 0.00 0.12 0.00 0.00 56.93 58.44 1q8m s PHE 126 Cb -0.11 -2.73 -0.08 0.00 -0.57 0.00 0.00 43.02 39.52 1q8m s PHE 126 CO 0.01 0.03 1.03 -0.51 -0.10 0.00 0.00 175.22 175.69 1q8m s ASP 127 N -2.10 6.33 0.46 1.36 1.01 -1.26 -4.89 116.67 117.58 1q8m s ASP 127 Ca 0.56 1.87 -0.06 0.00 0.71 0.00 0.00 52.55 55.64 1q8m s ASP 127 Cb -0.11 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 1q8m s ASP 127 CO 0.16 -0.79 0.77 -0.13 0.21 0.00 0.00 175.17 175.39 1q8m s ARG 128 N -3.41 3.57 -0.15 8.23 0.52 -0.86 -4.73 118.95 122.12 1q8m s ARG 128 Ca 0.66 0.20 -0.02 0.00 -0.52 0.00 0.00 55.73 56.05 1q8m s ARG 128 Cb -0.15 -2.40 -0.02 0.00 0.52 0.00 0.00 34.95 32.90 1q8m s ARG 128 CO 0.22 -0.16 -0.09 0.42 0.02 0.00 0.00 175.30 175.72 1q8m s ILE 129 N -2.66 3.35 -0.65 1.52 1.01 0.24 -1.49 121.20 122.52 1q8m s ILE 129 Ca 0.47 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 60.45 1q8m s ILE 129 Cb -0.10 -2.44 0.17 0.00 0.01 0.00 0.00 42.46 40.09 1q8m s ILE 129 CO 0.43 0.50 0.57 -0.60 0.00 0.00 0.00 174.94 175.84 1q8m s ARG 130 N 0.49 3.09 -0.07 2.79 3.52 0.17 0.54 118.95 129.48 1q8m s ARG 130 Ca -0.07 -2.09 -0.29 0.00 -0.13 0.00 0.00 55.73 53.16 1q8m s ARG 130 Cb -0.15 -4.22 -0.02 0.00 -1.56 0.00 0.00 34.95 28.99 1q8m s ARG 130 CO 0.04 -1.27 0.95 -1.17 -0.81 0.00 0.00 175.30 173.03 1q8m s LEU 131 N 0.84 4.30 -0.29 -0.88 0.20 0.41 -0.23 118.68 123.02 1q8m s LEU 131 Ca 0.11 1.51 0.01 0.00 0.69 0.00 0.00 54.13 56.45 1q8m s LEU 131 Cb -0.21 -3.48 0.08 0.00 -0.43 0.00 0.00 46.19 42.16 1q8m s LEU 131 CO -0.03 -0.33 0.02 -0.69 -0.29 0.00 0.00 176.35 175.03 1q8m s VAL 132 N 1.50 1.60 -0.23 1.68 1.01 -0.18 -1.34 120.40 124.45 1q8m s VAL 132 Ca 0.48 -1.64 -0.15 0.00 0.00 0.00 0.00 61.98 60.67 1q8m s VAL 132 Cb -0.19 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1q8m s VAL 132 CO 0.21 -0.42 0.37 -0.69 0.00 0.00 0.00 175.10 174.57 1q8m s VAL 133 N 1.29 5.21 0.28 2.92 1.01 -1.26 -1.82 120.40 128.04 1q8m s VAL 133 Ca 0.04 0.61 0.11 0.00 0.00 0.00 0.00 61.98 62.74 1q8m s VAL 133 Cb -0.18 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1q8m s VAL 133 CO -0.12 0.23 -0.14 0.42 0.00 0.00 0.00 175.10 175.48 1q8m s THR 134 N 1.54 2.66 0.67 3.92 -4.23 -0.51 -4.59 115.64 115.10 1q8m s THR 134 Ca 0.17 -2.28 -0.11 0.00 -1.18 0.00 0.00 61.69 58.28 1q8m s THR 134 Cb -0.15 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 1q8m s THR 134 CO 0.08 -0.37 1.05 -0.76 -0.54 0.00 0.00 174.62 174.08 1q8m s LEU 135 N -3.56 3.20 0.00 4.79 1.43 -1.26 -0.62 118.68 122.66 1q8m s LEU 135 Ca 0.31 1.60 0.31 0.00 -1.03 0.00 0.00 54.13 55.32 1q8m s LEU 135 Cb -0.05 -4.49 1.87 0.00 0.03 0.00 0.00 46.19 43.55 1q8m s LEU 135 CO 0.16 -1.30 2.20 -0.62 0.23 0.00 0.00 176.35 177.02