#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 1.21 0.40 2.12 -1.05 -1.26 -5.14 118.70 114.99 1q8m s GLU 17 Ca 0.00 -0.40 0.06 0.00 -0.15 0.00 0.00 54.97 54.48 1q8m s GLU 17 Cb 0.00 -1.10 -0.07 0.00 -0.44 0.00 0.00 34.13 32.52 1q8m s GLU 17 CO 0.00 0.15 0.02 -0.51 0.95 0.00 0.00 175.26 175.87 1q8m s LEU 18 N 0.15 2.64 0.19 1.83 1.43 -1.26 -5.17 118.68 118.50 1q8m s LEU 18 Ca -0.03 -1.41 0.07 0.00 -1.03 0.00 0.00 54.13 51.73 1q8m s LEU 18 Cb -0.10 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 1q8m s LEU 18 CO 0.01 -0.54 -0.14 -0.13 0.23 0.00 0.00 176.35 175.78 1q8m s ARG 19 N -3.77 1.26 -1.34 1.70 0.52 -1.26 -5.03 118.95 111.03 1q8m s ARG 19 Ca 0.32 -1.53 -0.12 0.00 -0.52 0.00 0.00 55.73 53.88 1q8m s ARG 19 Cb 0.09 -1.03 0.12 0.00 0.52 0.00 0.00 34.95 34.65 1q8m s ARG 19 CO 0.16 0.17 1.96 0.00 0.02 0.00 0.00 175.30 177.60 1q8m n ALA 20 N -0.25 5.22 1.41 2.13 0.00 -1.26 -4.72 120.51 123.05 1q8m n ALA 20 Ca -0.09 -4.14 0.14 0.00 0.00 0.00 0.00 53.44 49.35 1q8m n ALA 20 Cb 0.60 -3.21 0.47 0.00 0.00 0.00 0.00 19.45 17.31 1q8m n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q8m n ALA 21 N 5.00 2.71 -2.41 0.00 0.00 -1.26 -4.92 120.51 119.62 1q8m n ALA 21 Ca 0.44 -0.44 -0.31 0.00 0.00 0.00 0.00 53.44 53.12 1q8m n ALA 21 Cb 0.38 -1.14 -0.16 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.13 2.24 0.17 0.00 -4.23 -1.26 -5.12 115.64 105.31 1q8m s THR 22 Ca 0.34 -1.03 -0.08 0.00 -1.18 0.00 0.00 61.69 59.74 1q8m s THR 22 Cb 0.20 -1.80 -0.06 0.00 1.34 0.00 0.00 72.50 72.18 1q8m s THR 22 CO 0.38 0.58 0.46 -0.54 -0.54 0.00 0.00 174.62 174.96 1q8m s LYS 23 N -0.55 3.72 -0.26 3.99 1.02 -1.26 -5.07 119.74 121.34 1q8m s LYS 23 Ca 0.08 0.12 -0.04 0.00 0.02 0.00 0.00 55.97 56.15 1q8m s LYS 23 Cb -0.11 -2.78 0.10 0.00 -0.52 0.00 0.00 37.83 34.52 1q8m s LYS 23 CO 0.00 0.41 0.15 -1.17 -0.92 0.00 0.00 175.35 173.82 1q8m s LEU 24 N -2.62 0.37 0.32 3.17 0.20 -1.26 -5.14 118.68 113.71 1q8m s LEU 24 Ca 0.43 -1.02 -0.08 0.00 0.69 0.00 0.00 54.13 54.15 1q8m s LEU 24 Cb -0.12 -0.18 -0.06 0.00 -0.43 0.00 0.00 46.19 45.40 1q8m s LEU 24 CO 0.22 -0.41 0.64 0.42 -0.29 0.00 0.00 176.35 176.93 1q8m s THR 25 N 2.15 4.91 -0.43 3.68 -4.23 -1.26 -4.96 115.64 115.50 1q8m s THR 25 Ca 0.07 0.35 -0.09 0.00 -1.18 0.00 0.00 61.69 60.84 1q8m s THR 25 Cb -0.16 -3.71 0.09 0.00 1.34 0.00 0.00 72.50 70.06 1q8m s THR 25 CO -0.29 -0.35 0.29 -0.70 -0.54 0.00 0.00 174.62 173.02 1q8m s GLU 26 N -3.53 2.57 -0.58 3.99 -6.30 -1.26 -2.43 118.70 111.16 1q8m s GLU 26 Ca 0.47 -1.55 -0.26 0.00 -2.50 0.00 0.00 54.97 51.14 1q8m s GLU 26 Cb -0.11 -3.83 -0.08 0.00 0.00 0.00 0.00 34.13 30.11 1q8m s GLU 26 CO 0.29 -1.03 2.38 -1.21 0.02 0.00 0.00 175.26 175.71 1q8m s GLU 27 N 1.41 2.00 -0.26 4.30 0.41 -0.25 -4.46 118.70 121.85 1q8m s GLU 27 Ca 0.04 1.10 -0.28 0.00 -0.41 0.00 0.00 54.97 55.42 1q8m s GLU 27 Cb -0.24 -4.64 -0.04 0.00 -1.78 0.00 0.00 34.13 27.43 1q8m s GLU 27 CO 0.01 -3.57 2.09 0.21 -0.49 0.00 0.00 175.26 173.52 1q8m s LYS 28 N 8.36 3.18 -0.13 1.61 2.36 -1.26 -0.67 119.74 133.18 1q8m s LYS 28 Ca 0.94 1.83 0.02 0.00 -2.55 0.00 0.00 55.97 56.21 1q8m s LYS 28 Cb -0.15 -4.32 0.01 0.00 -1.05 0.00 0.00 37.83 32.32 1q8m s LYS 28 CO 0.21 -2.05 -0.18 -0.47 1.55 0.00 0.00 175.35 174.40 1q8m s TYR 29 N 7.94 2.35 -0.11 4.03 5.04 -0.46 -4.93 117.35 131.21 1q8m s TYR 29 Ca 0.94 -1.21 -0.04 0.00 -2.44 0.00 0.00 57.07 54.32 1q8m s TYR 29 Cb -0.30 -1.65 -0.04 0.00 0.35 0.00 0.00 41.96 40.33 1q8m s TYR 29 CO 0.34 -0.60 0.05 -1.21 -1.34 0.00 0.00 175.55 172.80 1q8m s GLU 30 N 1.04 3.26 0.06 4.97 2.02 -1.26 -0.47 118.70 128.32 1q8m s GLU 30 Ca -0.03 -0.31 -0.08 0.00 0.02 0.00 0.00 54.97 54.57 1q8m s GLU 30 Cb -0.15 -2.98 -0.00 0.00 0.10 0.00 0.00 34.13 31.10 1q8m s GLU 30 CO -0.05 0.67 0.17 -0.51 0.02 0.00 0.00 175.26 175.56 1q8m s LEU 31 N -0.76 1.51 0.10 1.80 1.43 -0.32 -4.96 118.68 117.48 1q8m s LEU 31 Ca 0.12 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.60 1q8m s LEU 31 Cb -0.12 0.90 -0.06 0.00 0.03 0.00 0.00 46.19 46.95 1q8m s LEU 31 CO 0.03 -0.63 0.39 -0.54 0.23 0.00 0.00 176.35 175.83 1q8m s LYS 32 N -3.20 3.69 0.24 1.70 -0.14 -1.26 -1.57 119.74 119.20 1q8m s LYS 32 Ca -0.00 0.06 -0.30 0.00 -1.36 0.00 0.00 55.97 54.36 1q8m s LYS 32 Cb 0.02 -2.93 -0.14 0.00 -1.68 0.00 0.00 37.83 33.10 1q8m s LYS 32 CO -0.07 0.52 1.21 -1.91 -0.76 0.00 0.00 175.35 174.33 1q8m n GLU 33 N 0.56 1.58 0.00 1.68 2.13 -0.72 -1.57 120.64 124.30 1q8m n GLU 33 Ca -0.06 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1q8m n GLU 33 Cb 0.52 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.15 1q8m n GLU 33 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1q8m n GLY 34 N 1.70 3.37 3.79 8.31 0.00 0.11 -4.89 105.19 117.57 1q8m n GLY 34 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1q8m n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q8m s GLN 35 N -0.75 -0.12 -0.15 1.61 -0.21 -0.61 -4.11 119.66 115.33 1q8m s GLN 35 Ca 0.00 -0.24 0.01 0.00 0.02 0.00 0.00 55.36 55.14 1q8m s GLN 35 Cb 0.00 -1.74 0.02 0.00 1.00 0.00 0.00 33.01 32.29 1q8m s GLN 35 CO 0.00 -2.95 -0.15 0.99 -2.12 0.00 0.00 175.29 171.06 1q8m s THR 36 N -3.50 1.65 -0.15 -0.19 2.01 -1.26 -0.04 115.64 114.16 1q8m s THR 36 Ca 0.72 -0.69 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 1q8m s THR 36 Cb -0.07 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.90 1q8m s THR 36 CO 0.54 0.47 1.14 -0.22 -0.69 0.00 0.00 174.62 175.86 1q8m s LEU 37 N 1.42 4.19 -0.25 4.42 1.98 -0.18 -4.89 118.68 125.37 1q8m s LEU 37 Ca 0.04 1.60 -0.01 0.00 -2.89 0.00 0.00 54.13 52.87 1q8m s LEU 37 Cb -0.13 -3.55 0.03 0.00 0.66 0.00 0.00 46.19 43.21 1q8m s LEU 37 CO -0.10 -0.64 -0.08 -0.62 -1.89 0.00 0.00 176.35 173.02 1q8m s ASP 38 N 1.49 4.25 0.00 3.68 2.15 -1.26 -1.48 116.67 125.50 1q8m s ASP 38 Ca 0.51 -0.94 0.07 0.00 0.43 0.00 0.00 52.55 52.61 1q8m s ASP 38 Cb -0.20 -1.63 -0.02 0.00 -0.30 0.00 0.00 42.92 40.77 1q8m s ASP 38 CO 0.14 -0.13 -0.21 -0.69 -0.17 0.00 0.00 175.17 174.12 1q8m s VAL 39 N 1.29 1.63 -0.21 1.11 1.01 0.80 -4.99 120.40 121.03 1q8m s VAL 39 Ca -0.01 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 1q8m s VAL 39 Cb -0.17 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1q8m s VAL 39 CO -0.05 0.39 -0.09 -0.54 0.00 0.00 0.00 175.10 174.81 1q8m s LYS 40 N -0.67 3.21 -0.37 2.72 -0.14 -1.26 0.06 119.74 123.29 1q8m s LYS 40 Ca 0.08 -0.72 -0.07 0.00 -1.36 0.00 0.00 55.97 53.90 1q8m s LYS 40 Cb -0.08 -2.89 0.06 0.00 -1.68 0.00 0.00 37.83 33.24 1q8m s LYS 40 CO -0.00 -0.22 0.17 0.00 -0.76 0.00 0.00 175.35 174.53 1q8m s ASP 42 N 1.70 6.64 0.31 0.00 -1.08 -1.26 -0.39 116.67 122.59 1q8m s ASP 42 Ca 0.01 -1.87 0.18 0.00 -0.52 0.00 0.00 52.55 50.36 1q8m s ASP 42 Cb -0.21 -2.54 0.13 0.00 -1.46 0.00 0.00 42.92 38.84 1q8m s ASP 42 CO 0.02 -1.33 1.41 0.10 0.52 0.00 0.00 175.17 175.89 1q8m h TYR 43 N 8.95 0.00 0.00 -5.34 -0.00 -1.74 -3.47 116.97 115.38 1q8m h TYR 43 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.00 1q8m h TYR 43 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.70 1q8m h TYR 43 CO 1.30 0.31 0.00 -2.37 -0.00 0.00 0.00 178.16 177.39 1q8m n THR 44 N -3.11 0.00 -1.95 -0.90 5.66 0.17 -4.86 114.28 109.28 1q8m n THR 44 Ca 0.01 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.59 1q8m n THR 44 Cb 0.66 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.41 1q8m n THR 44 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1q8m s LEU 45 N 0.00 4.37 0.55 1.09 1.43 -1.26 -4.63 118.68 120.23 1q8m s LEU 45 Ca 0.00 2.55 0.28 0.00 -1.03 0.00 0.00 54.13 55.93 1q8m s LEU 45 Cb 0.00 -3.58 1.46 0.00 0.03 0.00 0.00 46.19 44.10 1q8m s LEU 45 CO 0.00 -0.83 1.96 -0.08 0.23 0.00 0.00 176.35 177.64 1q8m h GLU 46 N 7.20 0.00 -0.24 1.70 4.22 -1.97 0.39 114.58 125.89 1q8m h GLU 46 Ca -0.43 0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.08 1q8m h GLU 46 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1q8m h GLU 46 CO 0.91 0.00 0.28 -0.22 -2.18 0.00 0.00 179.01 177.80 1q8m h LYS 47 N 0.00 0.00 -0.01 1.92 3.64 -1.96 -1.90 116.57 118.26 1q8m h LYS 47 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1q8m h LYS 47 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1q8m h LYS 47 CO -0.00 0.00 -0.40 1.19 -2.27 0.00 0.00 179.45 177.97 1q8m n PHE 48 N -3.71 0.00 -0.22 1.91 3.72 0.13 -4.68 117.46 114.60 1q8m n PHE 48 Ca 0.03 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.44 1q8m n PHE 48 Cb 0.41 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.04 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 2.91 0.54 -0.01 4.37 0.00 -1.38 -2.38 119.26 123.31 1q8m h ALA 49 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1q8m h ALA 49 Cb 0.56 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1q8m h ALA 49 CO 0.00 -0.42 -0.32 -1.13 0.00 0.00 0.00 179.25 177.38 1q8m n SER 50 N -5.37 1.41 -4.75 0.00 3.41 -1.26 -4.66 113.62 102.39 1q8m n SER 50 Ca 0.09 -1.14 -0.37 0.00 -0.26 0.00 0.00 58.87 57.19 1q8m n SER 50 Cb 0.36 0.25 0.04 0.00 -0.26 0.00 0.00 64.21 64.60 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 -2.47 5.19 0.46 4.04 0.01 -0.90 -0.17 113.70 119.86 1q8m s SER 51 Ca 0.23 2.56 -0.23 0.00 1.31 0.00 0.00 55.95 59.82 1q8m s SER 51 Cb 0.19 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.73 1q8m s SER 51 CO 0.53 -1.61 1.14 -1.58 0.41 0.00 0.00 173.24 172.13 1q8m s GLN 52 N -3.13 3.77 0.15 12.44 0.74 -1.26 -4.29 119.66 128.07 1q8m s GLN 52 Ca 0.75 1.70 0.01 0.00 0.05 0.00 0.00 55.36 57.87 1q8m s GLN 52 Cb -0.35 -2.37 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 1q8m s GLN 52 CO 0.39 -0.52 0.00 0.15 -0.55 0.00 0.00 175.29 174.76 1q8m s LYS 53 N -2.76 1.00 0.20 1.67 1.02 -1.26 -1.20 119.74 118.42 1q8m s LYS 53 Ca 0.64 -1.47 -0.18 0.00 0.02 0.00 0.00 55.97 54.98 1q8m s LYS 53 Cb -0.27 -0.12 0.03 0.00 -0.52 0.00 0.00 37.83 36.95 1q8m s LYS 53 CO 0.32 -0.14 0.54 0.00 -0.92 0.00 0.00 175.35 175.16 1q8m s ALA 54 N -3.75 -0.97 -0.20 5.17 0.00 -0.43 -0.71 121.76 120.88 1q8m s ALA 54 Ca 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 1q8m s ALA 54 Cb 0.06 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 24.05 1q8m s ALA 54 CO 0.01 -0.83 -0.09 -0.46 0.00 0.00 0.00 175.76 174.40 1q8m s TRP 55 N -3.88 2.90 0.10 0.00 -0.00 0.14 -1.30 118.94 116.91 1q8m s TRP 55 Ca 0.10 -1.05 0.06 0.00 -0.00 0.00 0.00 56.10 55.21 1q8m s TRP 55 Cb -0.01 -2.03 -0.03 0.00 -0.00 0.00 0.00 33.47 31.39 1q8m s TRP 55 CO -0.02 -0.56 -0.15 -0.65 -0.00 0.00 0.00 176.95 175.57 1q8m s GLN 56 N 1.30 0.98 -0.12 5.86 -0.21 -0.68 -0.09 119.66 126.70 1q8m s GLN 56 Ca 0.04 -1.14 -0.03 0.00 0.02 0.00 0.00 55.36 54.24 1q8m s GLN 56 Cb -0.14 -0.95 -0.03 0.00 1.00 0.00 0.00 33.01 32.89 1q8m s GLN 56 CO -0.04 0.20 0.00 -1.50 -2.12 0.00 0.00 175.29 171.83 1q8m s ILE 57 N -1.74 4.31 -0.04 1.08 2.07 -0.63 -1.67 121.20 124.58 1q8m s ILE 57 Ca 0.05 -0.23 -0.12 0.00 -1.41 0.00 0.00 60.65 58.94 1q8m s ILE 57 Cb -0.07 -2.85 -0.05 0.00 0.13 0.00 0.00 42.46 39.61 1q8m s ILE 57 CO 0.03 0.55 0.32 -0.63 -1.91 0.00 0.00 174.94 173.31 1q8m s ILE 58 N -0.35 5.18 0.41 2.00 -1.09 0.18 0.07 121.20 127.59 1q8m s ILE 58 Ca 0.07 0.64 0.08 0.00 -2.23 0.00 0.00 60.65 59.21 1q8m s ILE 58 Cb -0.12 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1q8m s ILE 58 CO 0.02 0.59 0.26 -0.13 -1.23 0.00 0.00 174.94 174.45 1q8m s ARG 59 N -1.04 2.37 0.37 2.79 1.81 -0.33 -4.52 118.95 120.40 1q8m s ARG 59 Ca 0.21 -1.69 -0.28 0.00 -1.72 0.00 0.00 55.73 52.24 1q8m s ARG 59 Cb -0.15 -2.16 -0.11 0.00 -0.45 0.00 0.00 34.95 32.07 1q8m s ARG 59 CO 0.10 -0.14 1.48 -0.40 -0.68 0.00 0.00 175.30 175.66 1q8m n ASP 60 N -1.37 3.73 0.00 0.23 5.75 -1.26 -2.79 116.55 120.84 1q8m n ASP 60 Ca 0.01 1.23 0.00 0.00 -0.01 0.00 0.00 54.79 56.01 1q8m n ASP 60 Cb 0.63 -1.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.11 1q8m n ASP 60 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q8m n GLY 61 N 0.51 0.80 2.33 6.12 0.00 -1.26 -4.10 105.19 109.59 1q8m n GLY 61 Ca 0.02 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.34 -1.39 -3.40 1.61 -0.58 -1.13 -4.97 120.64 108.44 1q8m n GLU 62 Ca 0.00 0.84 -0.44 0.00 -0.42 0.00 0.00 57.16 57.14 1q8m n GLU 62 Cb 0.00 -5.30 -0.07 0.00 -0.57 0.00 0.00 31.44 25.50 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 -4.86 2.90 0.49 3.49 -1.94 -1.12 -4.92 119.30 113.33 1q8m s MET 63 Ca 0.00 -1.52 -0.19 0.00 -1.71 0.00 0.00 55.69 52.27 1q8m s MET 63 Cb -0.00 -4.13 -0.08 0.00 2.01 0.00 0.00 34.83 32.63 1q8m s MET 63 CO 0.00 -1.13 1.01 -1.25 -0.01 0.00 0.00 175.02 173.63 1q8m s PRO 64 N 1.58 3.87 -0.28 2.03 0.04 -1.26 -1.19 135.00 139.78 1q8m s PRO 64 Ca 0.04 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1q8m s PRO 64 Cb -0.26 -2.12 0.05 0.00 0.04 0.00 0.00 34.50 32.22 1q8m s PRO 64 CO 0.04 -0.35 -0.05 0.21 0.04 0.00 0.00 177.00 176.89 1q8m s LYS 65 N -3.52 2.34 -0.07 4.56 2.20 0.11 -4.92 119.74 120.44 1q8m s LYS 65 Ca 0.64 -1.31 -0.30 0.00 -0.36 0.00 0.00 55.97 54.64 1q8m s LYS 65 Cb -0.13 -3.06 -0.06 0.00 -1.51 0.00 0.00 37.83 33.07 1q8m s LYS 65 CO 0.23 -0.60 1.74 0.99 -0.36 0.00 0.00 175.35 177.34 1q8m s THR 66 N 1.18 3.47 -0.14 3.43 2.01 -1.26 -1.61 115.64 122.72 1q8m s THR 66 Ca -0.07 0.55 0.15 0.00 0.31 0.00 0.00 61.69 62.63 1q8m s THR 66 Cb -0.20 -3.39 -0.24 0.00 0.01 0.00 0.00 72.50 68.68 1q8m s THR 66 CO -0.03 -0.08 0.31 0.18 -0.69 0.00 0.00 174.62 174.31 1q8m n LEU 67 N 7.65 0.54 -3.64 4.42 4.77 0.88 -4.98 117.00 126.64 1q8m n LEU 67 Ca 0.19 0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 56.23 1q8m n LEU 67 Cb 0.43 0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.72 1q8m n LEU 67 CO 0.64 0.48 0.50 0.00 -1.33 0.00 0.00 177.39 177.68 1q8m s ALA 68 N -2.54 -1.88 0.06 -1.18 0.00 -1.05 -4.88 121.76 110.29 1q8m s ALA 68 Ca -0.09 2.10 0.02 0.00 0.00 0.00 0.00 51.96 53.98 1q8m s ALA 68 Cb 0.07 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 1q8m s ALA 68 CO 0.82 -0.33 -0.07 0.00 0.00 0.00 0.00 175.76 176.18 1q8m n THR 70 N 0.96 0.00 -2.05 0.00 -2.24 0.12 -4.99 114.28 106.08 1q8m n THR 70 Ca -0.19 -0.64 -0.27 0.00 -2.27 0.00 0.00 64.05 60.67 1q8m n THR 70 Cb 0.57 -1.66 0.08 0.00 -2.10 0.00 0.00 70.33 67.22 1q8m n THR 70 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1q8m s GLU 71 N -4.82 2.06 -0.22 -0.78 0.41 -1.26 -4.71 118.70 109.38 1q8m s GLU 71 Ca 0.48 -0.09 -0.01 0.00 -0.41 0.00 0.00 54.97 54.94 1q8m s GLU 71 Cb -0.01 -2.06 0.06 0.00 -1.78 0.00 0.00 34.13 30.34 1q8m s GLU 71 CO 0.33 -1.43 0.01 0.50 -0.49 0.00 0.00 175.26 174.19 1q8m s ARG 72 N -5.41 0.98 1.08 1.61 3.52 -1.26 -2.68 118.95 116.79 1q8m s ARG 72 Ca 0.61 -0.67 -0.14 0.00 -0.13 0.00 0.00 55.73 55.41 1q8m s ARG 72 Cb -0.11 -2.27 0.23 0.00 -1.56 0.00 0.00 34.95 31.24 1q8m s ARG 72 CO 0.47 -0.65 1.08 -1.25 -0.81 0.00 0.00 175.30 174.14 1q8m s PRO 73 N 1.68 -0.21 -0.26 5.12 0.04 -1.26 -5.08 135.00 135.04 1q8m s PRO 73 Ca -0.02 0.43 -0.14 0.00 0.04 0.00 0.00 61.00 61.31 1q8m s PRO 73 Cb -0.18 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1q8m s PRO 73 CO -0.09 -3.14 0.34 0.45 0.04 0.00 0.00 177.00 174.60 1q8m s SER 74 N -3.39 6.24 0.03 6.66 0.15 0.76 -4.94 113.70 119.21 1q8m s SER 74 Ca 0.67 0.27 -0.12 0.00 0.70 0.00 0.00 55.95 57.47 1q8m s SER 74 Cb -0.18 -2.19 -0.06 0.00 -1.71 0.00 0.00 66.02 61.88 1q8m s SER 74 CO 0.58 -0.13 0.39 -0.54 1.20 0.00 0.00 173.24 174.75 1q8m s LYS 75 N 1.83 3.83 0.57 5.44 1.02 -1.26 -4.43 119.74 126.74 1q8m s LYS 75 Ca 0.14 0.29 -0.20 0.00 0.02 0.00 0.00 55.97 56.22 1q8m s LYS 75 Cb -0.15 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1q8m s LYS 75 CO 0.09 0.64 1.28 -1.71 -0.92 0.00 0.00 175.35 174.73 1q8m n ASN 76 N 1.45 2.23 -4.20 2.83 5.15 -1.26 -3.41 115.26 118.04 1q8m n ASN 76 Ca -0.12 0.92 -0.32 0.00 -0.60 0.00 0.00 54.58 54.47 1q8m n ASN 76 Cb 0.52 -1.54 -0.07 0.00 -0.53 0.00 0.00 39.78 38.17 1q8m n ASN 76 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1q8m n SER 77 N -1.13 -0.01 -3.55 1.20 3.41 -0.81 -4.90 113.62 107.83 1q8m n SER 77 Ca 0.12 -1.22 -0.28 0.00 -0.26 0.00 0.00 58.87 57.23 1q8m n SER 77 Cb 0.46 -1.94 -0.08 0.00 -0.26 0.00 0.00 64.21 62.38 1q8m n SER 77 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1q8m n HIS 78 N -4.60 3.55 -1.50 7.33 8.25 -1.22 -5.05 115.22 121.98 1q8m n HIS 78 Ca -0.30 -4.12 -0.54 0.00 -0.26 0.00 0.00 57.72 52.50 1q8m n HIS 78 Cb 0.68 -0.62 -0.06 0.00 1.12 0.00 0.00 29.99 31.11 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 1.10 0.31 -4.88 -0.41 -0.02 -1.26 -4.79 135.00 125.04 1q8m n PRO 79 Ca 0.28 0.11 -0.32 0.00 -2.02 0.00 0.00 63.50 61.54 1q8m n PRO 79 Cb 0.39 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.21 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 -0.23 2.33 -0.07 -1.45 1.01 0.98 -4.98 120.40 117.98 1q8m s VAL 80 Ca 0.81 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1q8m s VAL 80 Cb -1.09 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 33.37 1q8m s VAL 80 CO 0.55 0.54 -0.15 -1.58 0.00 0.00 0.00 175.10 174.46 1q8m s GLN 81 N 0.55 2.01 -0.14 2.72 0.74 -1.26 -0.19 119.66 124.09 1q8m s GLN 81 Ca -0.12 -0.52 -0.04 0.00 0.05 0.00 0.00 55.36 54.73 1q8m s GLN 81 Cb -0.17 -1.62 0.05 0.00 1.10 0.00 0.00 33.01 32.38 1q8m s GLN 81 CO 0.04 0.06 0.07 0.54 -0.55 0.00 0.00 175.29 175.45 1q8m s VAL 82 N 0.60 -0.01 0.00 1.34 0.11 -0.57 -5.02 120.40 116.85 1q8m s VAL 82 Ca -0.15 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 1q8m s VAL 82 Cb -0.16 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1q8m s VAL 82 CO 0.05 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.28 1q8m n GLY 83 N 5.25 3.02 0.84 6.54 0.00 -1.26 -1.15 105.19 118.44 1q8m n GLY 83 Ca -0.06 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.81 1q8m n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q8m n ARG 84 N 13.68 2.05 -3.82 1.61 1.74 -1.26 -4.87 116.66 125.79 1q8m n ARG 84 Ca 0.00 -1.64 -0.35 0.00 -0.77 0.00 0.00 57.85 55.09 1q8m n ARG 84 Cb 0.00 -1.36 -0.09 0.00 -1.02 0.00 0.00 32.46 29.99 1q8m n ARG 84 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1q8m s ILE 85 N -1.40 5.10 -0.17 0.55 1.01 -0.30 -1.28 121.20 124.71 1q8m s ILE 85 Ca 0.31 0.08 0.01 0.00 0.00 0.00 0.00 60.65 61.05 1q8m s ILE 85 Cb 0.16 -3.33 0.02 0.00 0.01 0.00 0.00 42.46 39.32 1q8m s ILE 85 CO 0.21 0.42 -0.18 -0.63 0.00 0.00 0.00 174.94 174.76 1q8m s ILE 86 N 0.61 1.88 -0.06 2.92 1.01 0.76 -1.51 121.20 126.81 1q8m s ILE 86 Ca 0.06 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1q8m s ILE 86 Cb -0.12 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 1q8m s ILE 86 CO 0.01 0.51 -0.16 -0.22 0.00 0.00 0.00 174.94 175.08 1q8m s LEU 87 N 1.36 2.64 -0.10 2.97 0.20 0.73 -0.50 118.68 125.98 1q8m s LEU 87 Ca 0.05 -0.25 -0.04 0.00 0.69 0.00 0.00 54.13 54.57 1q8m s LEU 87 Cb -0.13 -1.53 0.05 0.00 -0.43 0.00 0.00 46.19 44.15 1q8m s LEU 87 CO -0.12 0.31 0.22 -1.61 -0.29 0.00 0.00 176.35 174.86 1q8m s GLU 88 N -0.53 0.13 -0.36 1.98 2.02 -0.28 -0.01 118.70 121.64 1q8m s GLU 88 Ca 0.07 0.58 -0.16 0.00 0.02 0.00 0.00 54.97 55.49 1q8m s GLU 88 Cb -0.11 -0.13 -0.00 0.00 0.10 0.00 0.00 34.13 33.98 1q8m s GLU 88 CO 0.01 -0.23 0.40 0.34 0.02 0.00 0.00 175.26 175.80 1q8m s ASP 89 N 1.83 6.20 -1.03 -0.19 -1.08 -1.26 -0.24 116.67 120.92 1q8m s ASP 89 Ca -0.03 -0.30 -0.11 0.00 -0.52 0.00 0.00 52.55 51.59 1q8m s ASP 89 Cb -0.11 -2.21 0.26 0.00 -1.46 0.00 0.00 42.92 39.39 1q8m s ASP 89 CO -0.08 -0.42 1.01 -0.31 0.52 0.00 0.00 175.17 175.90 1q8m s TYR 90 N 2.11 4.11 0.20 -5.34 2.02 0.10 -1.92 117.35 118.61 1q8m s TYR 90 Ca 0.13 -2.47 -0.16 0.00 -0.37 0.00 0.00 57.07 54.20 1q8m s TYR 90 Cb -0.16 -3.84 0.18 0.00 -0.40 0.00 0.00 41.96 37.73 1q8m s TYR 90 CO 0.12 -0.97 1.62 0.45 -1.57 0.00 0.00 175.55 175.20 1q8m h HIS 91 N 7.02 -0.50 0.00 2.71 3.86 -1.91 0.20 115.15 126.53 1q8m h HIS 91 Ca 0.16 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1q8m h HIS 91 Cb 0.93 0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1q8m h HIS 91 CO 0.85 -0.30 0.22 -0.40 0.86 0.00 0.00 177.93 179.16 1q8m n ASP 92 N -5.42 0.36 -0.02 2.45 5.75 -1.26 -1.28 116.55 117.13 1q8m n ASP 92 Ca 0.06 0.59 0.01 0.00 -0.01 0.00 0.00 54.79 55.43 1q8m n ASP 92 Cb 0.33 -0.56 -0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1q8m n ASP 92 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1q8m n HIS 93 N -2.05 0.00 -2.55 2.11 8.25 0.57 -4.99 115.22 116.57 1q8m n HIS 93 Ca -0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.26 1q8m n HIS 93 Cb 0.25 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.36 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 0.65 -0.37 3.13 -1.41 0.00 -0.40 -4.74 105.19 102.04 1q8m n GLY 94 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1q8m n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q8m s LEU 95 N -5.45 2.14 -0.23 0.99 1.43 -1.15 0.43 118.68 116.84 1q8m s LEU 95 Ca 0.09 -0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1q8m s LEU 95 Cb -0.04 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.59 1q8m s LEU 95 CO 0.12 0.05 -0.06 -0.22 0.23 0.00 0.00 176.35 176.47 1q8m s LEU 96 N -0.98 2.92 -0.10 1.79 1.98 0.48 -0.72 118.68 124.05 1q8m s LEU 96 Ca 0.02 -0.56 -0.06 0.00 -2.89 0.00 0.00 54.13 50.64 1q8m s LEU 96 Cb -0.07 -1.70 -0.04 0.00 0.66 0.00 0.00 46.19 45.04 1q8m s LEU 96 CO 0.01 -0.05 0.14 -0.60 -1.89 0.00 0.00 176.35 173.95 1q8m s ARG 97 N 1.42 3.42 -0.01 1.98 3.52 0.67 0.77 118.95 130.72 1q8m s ARG 97 Ca 0.04 -0.17 0.03 0.00 -0.13 0.00 0.00 55.73 55.50 1q8m s ARG 97 Cb -0.15 -3.16 -0.00 0.00 -1.56 0.00 0.00 34.95 30.07 1q8m s ARG 97 CO -0.05 0.76 -0.10 0.08 -0.81 0.00 0.00 175.30 175.19 1q8m s VAL 98 N -1.06 0.79 -0.01 7.11 1.01 0.11 -1.13 120.40 127.21 1q8m s VAL 98 Ca 0.17 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1q8m s VAL 98 Cb -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1q8m s VAL 98 CO 0.06 0.23 -0.05 -0.13 0.00 0.00 0.00 175.10 175.21 1q8m s ARG 99 N -0.09 0.46 -0.28 2.72 0.52 0.35 -0.14 118.95 122.49 1q8m s ARG 99 Ca 0.01 -0.16 0.02 0.00 -0.52 0.00 0.00 55.73 55.08 1q8m s ARG 99 Cb -0.05 -0.46 0.08 0.00 0.52 0.00 0.00 34.95 35.03 1q8m s ARG 99 CO -0.00 0.07 -0.02 -1.64 0.02 0.00 0.00 175.30 173.74 1q8m s MET 100 N 0.07 1.56 0.48 3.54 -1.94 -0.55 -0.17 119.30 122.30 1q8m s MET 100 Ca -0.00 -1.28 -0.19 0.00 -1.71 0.00 0.00 55.69 52.51 1q8m s MET 100 Cb -0.04 -2.71 -0.09 0.00 2.01 0.00 0.00 34.83 33.99 1q8m s MET 100 CO -0.00 -0.73 0.98 0.08 -0.01 0.00 0.00 175.02 175.33 1q8m s VAL 101 N 1.25 4.37 -0.75 -6.03 1.01 -0.40 -1.01 120.40 118.85 1q8m s VAL 101 Ca -0.00 1.32 -0.02 0.00 0.00 0.00 0.00 61.98 63.28 1q8m s VAL 101 Cb -0.19 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1q8m s VAL 101 CO -0.09 -0.47 0.55 -3.20 0.00 0.00 0.00 175.10 171.89 1q8m n ASN 102 N -1.12 -4.42 -4.73 3.32 5.15 -1.06 -4.84 115.26 107.56 1q8m n ASN 102 Ca 0.07 -0.87 -0.37 0.00 -0.60 0.00 0.00 54.58 52.81 1q8m n ASN 102 Cb 0.54 -1.46 0.07 0.00 -0.53 0.00 0.00 39.78 38.40 1q8m n ASN 102 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1q8m s LEU 103 N -4.63 3.55 0.18 1.20 1.43 0.95 -4.60 118.68 116.76 1q8m s LEU 103 Ca 0.02 2.63 0.04 0.00 -1.03 0.00 0.00 54.13 55.79 1q8m s LEU 103 Cb -0.00 -4.62 -0.05 0.00 0.03 0.00 0.00 46.19 41.55 1q8m s LEU 103 CO 0.83 -2.05 -0.06 -1.10 0.23 0.00 0.00 176.35 174.19 1q8m s GLN 104 N -3.41 1.17 0.36 1.70 -0.21 -1.26 0.05 119.66 118.06 1q8m s GLN 104 Ca 0.83 -1.54 0.04 0.00 0.02 0.00 0.00 55.36 54.70 1q8m s GLN 104 Cb -0.38 -0.63 0.69 0.00 1.00 0.00 0.00 33.01 33.70 1q8m s GLN 104 CO 0.40 0.01 2.01 0.28 -2.12 0.00 0.00 175.29 175.87 1q8m h VAL 105 N 2.65 1.15 0.00 1.09 2.07 -1.93 -1.65 116.25 119.64 1q8m h VAL 105 Ca -0.37 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1q8m h VAL 105 Cb 1.20 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1q8m h VAL 105 CO 0.64 0.15 -0.05 -0.33 0.02 0.00 0.00 177.57 178.00 1q8m h GLU 106 N 0.75 0.00 0.00 1.57 3.07 -1.97 -2.17 114.58 115.83 1q8m h GLU 106 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1q8m h GLU 106 Cb -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1q8m h GLU 106 CO -0.04 0.05 0.00 -0.25 -1.40 0.00 0.00 179.01 177.37 1q8m n ASP 107 N -3.32 0.05 -4.77 1.42 8.00 -0.62 -4.76 116.55 112.55 1q8m n ASP 107 Ca -0.01 0.51 -0.40 0.00 0.71 0.00 0.00 54.79 55.60 1q8m n ASP 107 Cb 0.21 -0.53 -0.00 0.00 -0.02 0.00 0.00 41.12 40.78 1q8m n ASP 107 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1q8m s SER 108 N -3.10 6.30 0.00 -2.24 0.01 -0.82 -4.88 113.70 108.98 1q8m s SER 108 Ca 0.05 2.90 0.00 0.00 1.31 0.00 0.00 55.95 60.21 1q8m s SER 108 Cb 0.08 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1q8m s SER 108 CO 0.22 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1q8m n GLY 109 N 0.58 -1.93 3.58 3.44 0.00 -0.64 -4.97 105.19 105.25 1q8m n GLY 109 Ca 0.02 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 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 4.09 0.28 0.99 0.20 -1.26 -0.30 118.68 122.68 1q8m s LEU 110 Ca 0.00 -0.05 0.12 0.00 0.69 0.00 0.00 54.13 54.89 1q8m s LEU 110 Cb 0.00 -2.14 -0.05 0.00 -0.43 0.00 0.00 46.19 43.57 1q8m s LEU 110 CO 0.00 -0.08 -0.20 -0.31 -0.29 0.00 0.00 176.35 175.47 1q8m s TYR 111 N 1.77 2.29 -0.15 5.38 2.02 0.52 0.47 117.35 129.66 1q8m s TYR 111 Ca 0.07 -0.34 -0.29 0.00 -0.37 0.00 0.00 57.07 56.15 1q8m s TYR 111 Cb -0.16 -1.01 0.08 0.00 -0.40 0.00 0.00 41.96 40.47 1q8m s TYR 111 CO 0.11 0.71 0.76 1.14 -1.57 0.00 0.00 175.55 176.70 1q8m s GLN 112 N -3.51 0.89 0.34 -0.62 -2.07 -0.67 -0.77 119.66 113.26 1q8m s GLN 112 Ca 0.30 0.51 -0.14 0.00 -1.82 0.00 0.00 55.36 54.21 1q8m s GLN 112 Cb -0.05 0.43 -0.08 0.00 -1.09 0.00 0.00 33.01 32.22 1q8m s GLN 112 CO 0.15 -0.22 0.74 0.00 -1.32 0.00 0.00 175.29 174.65 1q8m s VAL 114 N -2.08 0.01 -0.20 0.00 0.11 -0.42 -4.43 120.40 113.39 1q8m s VAL 114 Ca 0.54 -0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.51 1q8m s VAL 114 Cb -0.10 -0.03 -0.01 0.00 -1.53 0.00 0.00 36.38 34.71 1q8m s VAL 114 CO 0.21 -0.03 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.26 1q8m s ILE 115 N -0.07 3.33 -0.29 7.04 1.01 -1.26 -1.31 121.20 129.65 1q8m s ILE 115 Ca -0.01 -0.52 -0.28 0.00 0.00 0.00 0.00 60.65 59.84 1q8m s ILE 115 Cb -0.01 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 1q8m s ILE 115 CO -0.00 0.44 1.84 -0.31 0.00 0.00 0.00 174.94 176.91 1q8m s TYR 116 N 1.27 1.75 0.15 3.97 4.12 -0.34 -4.95 117.35 123.32 1q8m s TYR 116 Ca 0.03 0.57 0.10 0.00 0.02 0.00 0.00 57.07 57.79 1q8m s TYR 116 Cb -0.14 -4.09 -0.04 0.00 -1.52 0.00 0.00 41.96 36.17 1q8m s TYR 116 CO -0.02 -3.19 -0.18 -0.65 0.02 0.00 0.00 175.55 171.52 1q8m s GLN 117 N 5.57 1.74 0.54 -0.62 -0.21 -1.26 -4.52 119.66 120.89 1q8m s GLN 117 Ca 0.82 -1.31 -0.20 0.00 0.02 0.00 0.00 55.36 54.69 1q8m s GLN 117 Cb -0.25 -2.03 -0.06 0.00 1.00 0.00 0.00 33.01 31.67 1q8m s GLN 117 CO 0.34 0.44 1.14 -1.25 -2.12 0.00 0.00 175.29 173.84 1q8m s PRO 118 N -2.45 3.36 0.28 2.91 0.04 -1.26 -4.98 135.00 132.90 1q8m s PRO 118 Ca 0.20 1.66 0.02 0.00 0.04 0.00 0.00 61.00 62.92 1q8m s PRO 118 Cb -0.09 -2.04 0.63 0.00 0.04 0.00 0.00 34.50 33.04 1q8m s PRO 118 CO 0.11 -0.85 1.76 -1.00 0.04 0.00 0.00 177.00 177.06 1q8m h PRO 119 N 1.26 0.65 0.00 0.56 0.13 -2.00 -3.02 132.00 129.58 1q8m h PRO 119 Ca -0.50 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1q8m h PRO 119 Cb 1.26 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1q8m h PRO 119 CO 0.57 0.43 -0.06 0.87 -0.23 0.00 0.00 178.00 179.58 1q8m h LYS 120 N 0.67 0.00 -6.48 0.86 1.57 -2.08 -3.45 116.57 107.66 1q8m h LYS 120 Ca 0.52 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.77 1q8m h LYS 120 Cb 0.78 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 1q8m h LYS 120 CO -0.38 0.06 0.09 -1.21 -0.57 0.00 0.00 179.45 177.44 1q8m s GLU 121 N -3.28 4.30 0.26 3.15 0.41 -1.14 -4.99 118.70 117.40 1q8m s GLU 121 Ca 0.05 0.89 -0.31 0.00 -0.41 0.00 0.00 54.97 55.20 1q8m s GLU 121 Cb 0.06 -3.04 -0.12 0.00 -1.78 0.00 0.00 34.13 29.26 1q8m s GLU 121 CO 0.66 0.49 1.64 -2.14 -0.49 0.00 0.00 175.26 175.41 1q8m s PRO 122 N -1.62 4.12 0.00 0.39 0.02 -1.26 -4.88 135.00 131.78 1q8m s PRO 122 Ca 0.38 2.58 -0.28 0.00 0.02 0.00 0.00 61.00 63.71 1q8m s PRO 122 Cb -0.19 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 1q8m s PRO 122 CO 0.22 -0.68 0.90 -1.01 -0.33 0.00 0.00 177.00 176.10 1q8m s HIS 123 N 0.47 3.67 0.01 6.54 3.76 -1.26 -5.03 115.29 123.44 1q8m s HIS 123 Ca 0.68 1.60 -0.19 0.00 -0.15 0.00 0.00 55.06 57.00 1q8m s HIS 123 Cb -0.48 -3.02 -0.06 0.00 1.11 0.00 0.00 32.58 30.13 1q8m s HIS 123 CO 0.42 0.06 0.54 1.41 -0.85 0.00 0.00 174.74 176.32 1q8m s MET 124 N 0.76 4.22 -0.04 1.40 1.75 -1.26 -5.07 119.30 121.06 1q8m s MET 124 Ca 0.47 0.66 0.06 0.00 -1.25 0.00 0.00 55.69 55.63 1q8m s MET 124 Cb -0.21 -3.30 -0.01 0.00 2.84 0.00 0.00 34.83 34.16 1q8m s MET 124 CO 0.26 0.50 -0.21 -0.51 -0.65 0.00 0.00 175.02 174.40 1q8m s LEU 125 N -0.58 2.01 0.39 4.11 1.43 -1.26 -4.75 118.68 120.02 1q8m s LEU 125 Ca 0.29 -0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 1q8m s LEU 125 Cb -0.18 -1.15 -0.09 0.00 0.03 0.00 0.00 46.19 44.79 1q8m s LEU 125 CO 0.17 0.22 0.84 -0.36 0.23 0.00 0.00 176.35 177.45 1q8m s PHE 126 N -0.21 3.36 0.62 0.29 0.08 -1.26 -5.03 117.98 115.83 1q8m s PHE 126 Ca 0.00 1.38 -0.18 0.00 0.12 0.00 0.00 56.93 58.24 1q8m s PHE 126 Cb -0.11 -2.67 -0.03 0.00 -0.57 0.00 0.00 43.02 39.64 1q8m s PHE 126 CO 0.02 -0.04 1.25 -0.51 -0.10 0.00 0.00 175.22 175.83 1q8m s ASP 127 N -2.38 4.93 0.52 1.36 1.01 -1.26 -4.85 116.67 115.99 1q8m s ASP 127 Ca 0.57 2.50 0.01 0.00 0.71 0.00 0.00 52.55 56.35 1q8m s ASP 127 Cb -0.10 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.25 1q8m s ASP 127 CO 0.18 -1.78 0.74 -0.13 0.21 0.00 0.00 175.17 174.39 1q8m s ARG 128 N -3.34 2.69 -0.08 8.23 0.52 -1.02 -4.68 118.95 121.27 1q8m s ARG 128 Ca 0.80 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 55.29 1q8m s ARG 128 Cb -0.34 -2.52 0.02 0.00 0.52 0.00 0.00 34.95 32.64 1q8m s ARG 128 CO 0.36 -0.58 -0.07 -1.50 0.02 0.00 0.00 175.30 173.53 1q8m s ILE 129 N -2.69 0.86 -0.73 1.52 2.07 0.05 -1.09 121.20 121.19 1q8m s ILE 129 Ca 0.55 -0.25 -0.18 0.00 -1.41 0.00 0.00 60.65 59.36 1q8m s ILE 129 Cb -0.10 -0.87 0.14 0.00 0.13 0.00 0.00 42.46 41.76 1q8m s ILE 129 CO 0.38 0.32 0.82 -0.60 -1.91 0.00 0.00 174.94 173.95 1q8m s ARG 130 N 1.28 3.31 0.12 3.50 3.52 0.16 -0.36 118.95 130.48 1q8m s ARG 130 Ca -0.04 -1.71 -0.31 0.00 -0.13 0.00 0.00 55.73 53.54 1q8m s ARG 130 Cb -0.14 -4.46 -0.07 0.00 -1.56 0.00 0.00 34.95 28.72 1q8m s ARG 130 CO -0.03 -1.53 1.28 -1.17 -0.81 0.00 0.00 175.30 173.04 1q8m s LEU 131 N 2.05 4.39 -0.25 -0.88 0.20 0.59 -1.35 118.68 123.43 1q8m s LEU 131 Ca 0.18 2.21 -0.01 0.00 0.69 0.00 0.00 54.13 57.20 1q8m s LEU 131 Cb -0.16 -3.59 0.08 0.00 -0.43 0.00 0.00 46.19 42.09 1q8m s LEU 131 CO -0.01 -0.53 0.04 -0.69 -0.29 0.00 0.00 176.35 174.87 1q8m s VAL 132 N 0.79 0.94 -0.24 1.68 1.01 0.38 -1.62 120.40 123.34 1q8m s VAL 132 Ca 0.60 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 1q8m s VAL 132 Cb -0.33 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1q8m s VAL 132 CO 0.32 -0.38 0.12 -0.69 0.00 0.00 0.00 175.10 174.47 1q8m s VAL 133 N 1.63 4.94 0.35 2.92 1.01 -1.26 -1.17 120.40 128.82 1q8m s VAL 133 Ca 0.03 0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.13 1q8m s VAL 133 Cb -0.18 -3.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 1q8m s VAL 133 CO -0.14 0.34 0.01 0.42 0.00 0.00 0.00 175.10 175.72 1q8m s THR 134 N 1.28 2.55 0.50 3.92 -4.23 -0.61 -4.55 115.64 114.50 1q8m s THR 134 Ca 0.06 -1.99 -0.21 0.00 -1.18 0.00 0.00 61.69 58.37 1q8m s THR 134 Cb -0.14 -2.80 -0.07 0.00 1.34 0.00 0.00 72.50 70.83 1q8m s THR 134 CO 0.05 -0.18 1.13 -0.76 -0.54 0.00 0.00 174.62 174.32 1q8m s LEU 135 N -3.71 3.88 0.00 4.79 1.43 -1.26 -1.76 118.68 122.05 1q8m s LEU 135 Ca 0.35 2.20 0.01 0.00 -1.03 0.00 0.00 54.13 55.66 1q8m s LEU 135 Cb 0.01 -4.43 0.07 0.00 0.03 0.00 0.00 46.19 41.87 1q8m s LEU 135 CO 0.19 -1.03 0.56 -0.62 0.23 0.00 0.00 176.35 175.69