#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qal s LEU 10 N 0.00 0.90 -0.18 -1.84 1.43 -1.26 -4.08 118.68 113.65 2qal s LEU 10 Ca 0.00 -0.85 -0.19 0.00 -1.03 0.00 0.00 54.13 52.06 2qal s LEU 10 Cb 0.00 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 2qal s LEU 10 CO 0.00 -0.34 0.53 -1.10 0.23 0.00 0.00 176.35 175.67 2qal s GLN 11 N 1.96 4.23 -0.33 1.70 -0.21 0.31 -4.93 119.66 122.39 2qal s GLN 11 Ca 0.02 0.46 -0.03 0.00 0.02 0.00 0.00 55.36 55.83 2qal s GLN 11 Cb -0.17 -3.54 0.06 0.00 1.00 0.00 0.00 33.01 30.37 2qal s GLN 11 CO -0.12 -0.09 0.06 -1.21 -2.12 0.00 0.00 175.29 171.81 2qal s GLU 12 N 1.44 2.37 -0.19 2.91 2.02 -1.26 -1.32 118.70 124.67 2qal s GLU 12 Ca 0.25 -1.37 -0.02 0.00 0.02 0.00 0.00 54.97 53.85 2qal s GLU 12 Cb -0.15 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.75 2qal s GLU 12 CO 0.10 -0.73 -0.09 0.21 0.02 0.00 0.00 175.26 174.77 2qal s LYS 13 N 1.25 3.32 -0.59 1.61 2.47 -0.93 -5.02 119.74 121.86 2qal s LYS 13 Ca -0.02 -0.67 -0.22 0.00 -1.56 0.00 0.00 55.97 53.50 2qal s LYS 13 Cb -0.20 -2.82 0.06 0.00 -1.46 0.00 0.00 37.83 33.41 2qal s LYS 13 CO -0.01 -0.07 0.86 -1.17 0.16 0.00 0.00 175.35 175.12 2qal s LEU 14 N 1.09 4.54 0.06 5.43 1.98 -1.26 -1.83 118.68 128.70 2qal s LEU 14 Ca 0.01 -0.86 -0.28 0.00 -2.89 0.00 0.00 54.13 50.11 2qal s LEU 14 Cb -0.15 -2.52 -0.14 0.00 0.66 0.00 0.00 46.19 44.05 2qal s LEU 14 CO -0.02 -1.24 1.43 0.40 -1.89 0.00 0.00 176.35 175.03 2qal h ILE 15 N 5.96 0.00 -1.39 6.68 2.04 -0.82 -3.48 117.51 126.50 2qal h ILE 15 Ca -0.28 0.00 0.28 0.00 1.00 0.00 0.00 64.86 65.86 2qal h ILE 15 Cb 1.08 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.98 2qal h ILE 15 CO 1.11 0.00 0.85 0.00 0.00 0.00 0.00 178.15 180.10 2qal s ALA 16 N -5.26 -2.13 0.04 1.87 0.00 -0.92 -4.98 121.76 110.38 2qal s ALA 16 Ca -0.14 1.50 0.04 0.00 0.00 0.00 0.00 51.96 53.37 2qal s ALA 16 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2qal s ALA 16 CO 0.46 -0.67 -0.13 0.54 0.00 0.00 0.00 175.76 175.97 2qal s VAL 17 N -2.35 0.98 0.28 0.00 0.11 -1.26 0.18 120.40 118.34 2qal s VAL 17 Ca 0.11 -0.96 0.09 0.00 -2.93 0.00 0.00 61.98 58.28 2qal s VAL 17 Cb 0.00 -0.90 -0.06 0.00 -1.53 0.00 0.00 36.38 33.89 2qal s VAL 17 CO -0.04 -0.05 -0.11 0.20 -3.33 0.00 0.00 175.10 171.77 2qal s ASN 18 N -1.14 3.15 -0.03 3.54 0.02 0.60 -4.97 114.94 116.12 2qal s ASN 18 Ca -0.00 -1.13 -0.01 0.00 -1.02 0.00 0.00 52.86 50.71 2qal s ASN 18 Cb -0.08 -0.24 -0.00 0.00 0.02 0.00 0.00 41.25 40.96 2qal s ASN 18 CO 0.01 -0.19 -0.01 -0.09 0.02 0.00 0.00 177.10 176.84 2qal h ARG 19 N 2.27 0.00 -1.72 -0.60 2.43 -1.87 -1.29 114.38 113.60 2qal h ARG 19 Ca -0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2qal h ARG 19 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2qal h ARG 19 CO 0.65 0.00 -0.43 0.28 -1.51 0.00 0.00 179.97 178.96 2qal n VAL 20 N -2.68 -2.20 -4.31 0.20 0.31 -1.26 -2.17 118.33 106.22 2qal n VAL 20 Ca -0.00 0.90 -0.16 0.00 -0.01 0.00 0.00 64.34 65.07 2qal n VAL 20 Cb 0.02 -1.34 -0.10 0.00 -0.91 0.00 0.00 33.84 31.51 2qal n VAL 20 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2qal s SER 21 N -3.36 1.13 -0.37 4.52 0.15 -1.26 -2.48 113.70 112.02 2qal s SER 21 Ca 0.00 -1.38 0.04 0.00 0.70 0.00 0.00 55.95 55.32 2qal s SER 21 Cb 0.00 0.17 0.16 0.00 -1.71 0.00 0.00 66.02 64.65 2qal s SER 21 CO 0.00 -0.73 0.45 -0.75 1.20 0.00 0.00 173.24 173.41 2qal s LYS 22 N -4.04 0.66 0.31 5.44 2.20 -0.92 -4.92 119.74 118.47 2qal s LYS 22 Ca 0.37 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 55.11 2qal s LYS 22 Cb 0.08 -0.45 -0.10 0.00 -1.51 0.00 0.00 37.83 35.84 2qal s LYS 22 CO 0.13 -1.18 1.25 -0.08 -0.36 0.00 0.00 175.35 175.11 2qal s THR 23 N 1.67 2.96 0.33 3.43 -1.32 -1.26 -1.86 115.64 119.60 2qal s THR 23 Ca 0.16 0.96 0.05 0.00 -1.21 0.00 0.00 61.69 61.65 2qal s THR 23 Cb -0.12 -3.61 -0.02 0.00 -1.51 0.00 0.00 72.50 67.24 2qal s THR 23 CO -0.08 0.22 0.33 0.68 -2.21 0.00 0.00 174.62 173.57 2qal s VAL 24 N -1.07 0.00 0.34 5.08 -7.23 0.05 -4.92 120.40 112.64 2qal s VAL 24 Ca 0.48 -1.90 0.13 0.00 -1.81 0.00 0.00 61.98 58.88 2qal s VAL 24 Cb -0.37 -2.54 0.33 0.00 0.56 0.00 0.00 36.38 34.35 2qal s VAL 24 CO 0.49 0.00 1.66 0.07 -0.31 0.00 0.00 175.10 177.01 2qal h LYS 25 N 2.13 0.30 -0.03 4.82 2.10 -2.00 0.21 116.57 124.10 2qal h LYS 25 Ca -0.26 -0.02 -0.20 0.00 -2.00 0.00 0.00 60.65 58.17 2qal h LYS 25 Cb 1.23 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2qal h LYS 25 CO 0.37 0.20 -0.85 0.78 -2.00 0.00 0.00 179.45 177.95 2qal h GLY 26 N 0.31 0.39 0.00 0.07 0.00 -1.99 -3.50 103.07 98.35 2qal h GLY 26 Ca 0.72 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2qal h GLY 26 CO -0.61 0.56 0.00 0.61 0.00 0.00 0.00 176.54 177.09 2qal n GLY 27 N 0.78 -0.46 3.70 4.60 0.00 0.73 -5.12 105.19 109.43 2qal n GLY 27 Ca -0.05 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.09 2qal n GLY 27 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qal s ARG 28 N -1.88 1.50 -0.29 1.61 1.70 -1.26 -0.77 118.95 119.55 2qal s ARG 28 Ca 0.00 1.49 -0.01 0.00 -0.47 0.00 0.00 55.73 56.74 2qal s ARG 28 Cb 0.00 -1.79 0.09 0.00 -0.57 0.00 0.00 34.95 32.69 2qal s ARG 28 CO 0.00 -2.26 0.09 0.42 -1.08 0.00 0.00 175.30 172.46 2qal s ILE 29 N -2.60 0.85 0.74 4.99 1.01 -0.77 -4.82 121.20 120.59 2qal s ILE 29 Ca 0.67 -1.29 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 2qal s ILE 29 Cb -0.22 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.67 2qal s ILE 29 CO 0.55 -0.61 0.97 2.22 0.00 0.00 0.00 174.94 178.07 2qal n PHE 30 N 4.87 0.63 -2.85 3.97 1.16 -1.26 -2.16 117.46 121.82 2qal n PHE 30 Ca -0.03 0.39 0.00 0.00 -1.87 0.00 0.00 57.45 55.94 2qal n PHE 30 Cb 0.43 -2.07 0.00 0.00 -1.61 0.00 0.00 39.48 36.23 2qal n PHE 30 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2qal n SER 31 N -1.83 0.00 -3.58 5.98 2.88 -1.04 -4.91 113.62 111.13 2qal n SER 31 Ca 0.13 -0.81 -0.13 0.00 -1.33 0.00 0.00 58.87 56.73 2qal n SER 31 Cb 0.50 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.91 2qal n SER 31 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2qal s PHE 32 N -7.64 -0.39 -0.14 0.66 0.08 -0.79 -4.37 117.98 105.39 2qal s PHE 32 Ca 0.00 0.38 -0.06 0.00 0.12 0.00 0.00 56.93 57.37 2qal s PHE 32 Cb 0.00 0.34 0.06 0.00 -0.57 0.00 0.00 43.02 42.85 2qal s PHE 32 CO 0.00 -0.66 0.31 0.95 -0.10 0.00 0.00 175.22 175.73 2qal s THR 33 N -2.68 -0.32 -0.08 0.64 -4.23 -0.49 -1.64 115.64 106.84 2qal s THR 33 Ca -0.04 0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.70 2qal s THR 33 Cb -0.00 -0.50 -0.02 0.00 1.34 0.00 0.00 72.50 73.32 2qal s THR 33 CO -0.04 0.08 -0.17 0.00 -0.54 0.00 0.00 174.62 173.96 2qal s ALA 34 N 2.04 2.52 -0.25 3.99 0.00 -0.35 -0.29 121.76 129.42 2qal s ALA 34 Ca -0.03 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 2qal s ALA 34 Cb -0.11 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 2qal s ALA 34 CO -0.10 0.40 0.02 -1.17 0.00 0.00 0.00 175.76 174.91 2qal s LEU 35 N -0.16 3.32 0.05 0.00 2.96 0.13 -2.65 118.68 122.33 2qal s LEU 35 Ca -0.01 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.42 2qal s LEU 35 Cb -0.14 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 2qal s LEU 35 CO 0.03 -0.08 -0.04 0.28 -1.32 0.00 0.00 176.35 175.23 2qal s THR 36 N 1.51 0.29 0.03 3.68 -1.32 -0.99 -0.05 115.64 118.79 2qal s THR 36 Ca 0.05 -1.64 0.05 0.00 -1.21 0.00 0.00 61.69 58.93 2qal s THR 36 Cb -0.15 -1.29 -0.02 0.00 -1.51 0.00 0.00 72.50 69.53 2qal s THR 36 CO -0.00 -0.86 -0.14 0.68 -2.21 0.00 0.00 174.62 172.09 2qal s VAL 37 N -3.32 1.09 -0.18 5.08 -7.23 -0.76 0.11 120.40 115.18 2qal s VAL 37 Ca 0.03 -0.89 0.01 0.00 -1.81 0.00 0.00 61.98 59.32 2qal s VAL 37 Cb 0.04 -0.97 0.02 0.00 0.56 0.00 0.00 36.38 36.03 2qal s VAL 37 CO -0.07 0.07 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.92 2qal s VAL 38 N -0.72 2.01 0.06 1.32 1.01 -0.88 -2.18 120.40 121.02 2qal s VAL 38 Ca 0.02 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.13 2qal s VAL 38 Cb -0.07 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2qal s VAL 38 CO 0.01 0.48 -0.22 -0.83 0.00 0.00 0.00 175.10 174.54 2qal s GLY 39 N 1.30 1.54 0.11 4.51 0.00 -0.44 -2.03 107.32 112.31 2qal s GLY 39 Ca 0.04 -1.28 0.06 0.00 0.00 0.00 0.00 44.72 43.54 2qal s GLY 39 CO -0.12 -1.19 1.25 1.29 0.00 0.00 0.00 173.10 174.33 2qal h ASP 40 N 4.41 0.03 0.00 1.64 2.03 -0.90 0.89 116.42 124.53 2qal h ASP 40 Ca -0.48 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 55.78 2qal h ASP 40 Cb 1.15 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 2qal h ASP 40 CO 0.45 1.03 0.00 0.61 -1.03 0.00 0.00 179.24 180.30 2qal n GLY 41 N 1.37 1.55 1.15 7.15 0.00 -0.98 -3.63 105.19 111.80 2qal n GLY 41 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2qal n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qal n ASN 42 N 0.00 0.21 -2.77 1.61 2.85 -1.24 -3.95 115.26 111.97 2qal n ASN 42 Ca 0.00 0.04 -0.02 0.00 -0.11 0.00 0.00 54.58 54.49 2qal n ASN 42 Cb 0.00 -0.05 0.07 0.00 1.24 0.00 0.00 39.78 41.03 2qal n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qal n GLY 43 N 3.23 1.77 3.16 8.20 0.00 -1.23 -4.37 105.19 115.94 2qal n GLY 43 Ca 0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 2qal n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qal s ARG 44 N -2.77 0.27 0.19 1.61 0.52 -1.23 -1.69 118.95 115.85 2qal s ARG 44 Ca 0.23 0.80 -0.00 0.00 -0.52 0.00 0.00 55.73 56.24 2qal s ARG 44 Cb 0.37 0.06 -0.04 0.00 0.52 0.00 0.00 34.95 35.85 2qal s ARG 44 CO -0.05 -0.22 0.10 0.14 0.02 0.00 0.00 175.30 175.29 2qal s VAL 45 N 1.99 0.18 -0.30 3.52 -7.23 -1.07 -0.69 120.40 116.80 2qal s VAL 45 Ca -0.04 -1.98 -0.17 0.00 -1.81 0.00 0.00 61.98 57.98 2qal s VAL 45 Cb -0.11 -2.39 0.17 0.00 0.56 0.00 0.00 36.38 34.61 2qal s VAL 45 CO -0.11 -0.14 1.21 -0.83 -0.31 0.00 0.00 175.10 174.91 2qal s GLY 46 N -3.16 -0.33 0.17 2.32 0.00 -0.86 -1.23 107.32 104.22 2qal s GLY 46 Ca 0.34 2.89 -0.30 0.00 0.00 0.00 0.00 44.72 47.65 2qal s GLY 46 CO 0.09 4.06 1.15 -0.11 0.00 0.00 0.00 173.10 178.29 2qal s PHE 47 N 2.99 3.51 -0.15 1.90 -0.71 -1.26 -2.08 117.98 122.18 2qal s PHE 47 Ca 0.04 1.50 0.00 0.00 -1.04 0.00 0.00 56.93 57.44 2qal s PHE 47 Cb -0.06 -3.35 0.02 0.00 -1.21 0.00 0.00 43.02 38.43 2qal s PHE 47 CO -0.12 -0.90 -0.14 0.20 -1.34 0.00 0.00 175.22 172.92 2qal s GLY 48 N 0.10 1.14 -0.18 1.99 0.00 0.31 -4.51 107.32 106.16 2qal s GLY 48 Ca 0.52 -0.92 -0.03 0.00 0.00 0.00 0.00 44.72 44.29 2qal s GLY 48 CO 0.35 0.52 -0.06 -0.47 0.00 0.00 0.00 173.10 173.44 2qal s TYR 49 N 1.48 2.95 0.01 1.90 5.04 -1.26 -2.35 117.35 125.11 2qal s TYR 49 Ca 0.05 -0.65 -0.08 0.00 -2.44 0.00 0.00 57.07 53.95 2qal s TYR 49 Cb -0.13 -2.00 0.00 0.00 0.35 0.00 0.00 41.96 40.18 2qal s TYR 49 CO -0.11 -0.30 0.14 0.20 -1.34 0.00 0.00 175.55 174.14 2qal s GLY 50 N 0.87 0.05 0.18 8.97 0.00 -1.08 -4.87 107.32 111.44 2qal s GLY 50 Ca -0.01 -0.17 0.09 0.00 0.00 0.00 0.00 44.72 44.63 2qal s GLY 50 CO 0.01 -0.31 -0.18 -1.59 0.00 0.00 0.00 173.10 171.03 2qal s LYS 51 N -1.58 1.32 -0.01 2.90 -2.85 -1.26 -1.21 119.74 117.05 2qal s LYS 51 Ca -0.13 -1.47 -0.29 0.00 -1.00 0.00 0.00 55.97 53.08 2qal s LYS 51 Cb -0.07 -1.34 0.10 0.00 -2.06 0.00 0.00 37.83 34.47 2qal s LYS 51 CO 0.01 0.26 0.89 0.00 0.10 0.00 0.00 175.35 176.62 2qal s ALA 52 N -2.23 -1.83 0.19 0.59 0.00 -0.65 -4.69 121.76 113.15 2qal s ALA 52 Ca 0.18 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 2qal s ALA 52 Cb -0.05 0.39 0.17 0.00 0.00 0.00 0.00 23.12 23.63 2qal s ALA 52 CO 0.07 -0.68 1.82 -0.09 0.00 0.00 0.00 175.76 176.88 2qal h ARG 53 N 2.01 0.66 -6.41 0.00 2.43 -1.91 -2.09 114.38 109.07 2qal h ARG 53 Ca -0.22 -0.04 -0.54 0.00 -0.81 0.00 0.00 59.98 58.37 2qal h ARG 53 Cb 1.24 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 2qal h ARG 53 CO 0.31 0.44 0.02 -1.21 -1.51 0.00 0.00 179.97 178.01 2qal s GLU 54 N -6.12 4.18 0.15 0.20 0.41 -1.26 -4.49 118.70 111.76 2qal s GLU 54 Ca -0.13 0.74 -0.17 0.00 -0.41 0.00 0.00 54.97 55.00 2qal s GLU 54 Cb 0.15 -3.00 0.03 0.00 -1.78 0.00 0.00 34.13 29.52 2qal s GLU 54 CO 0.75 0.49 1.74 0.28 -0.49 0.00 0.00 175.26 178.03 2qal h VAL 55 N 2.98 0.90 -0.17 2.63 2.07 -1.94 -2.87 116.25 119.84 2qal h VAL 55 Ca -0.48 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 2qal h VAL 55 Cb 1.20 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2qal h VAL 55 CO 0.65 0.04 -0.23 1.55 0.02 0.00 0.00 177.57 179.60 2qal h PRO 56 N 0.22 0.46 -0.89 1.57 0.13 -1.95 -3.26 132.00 128.28 2qal h PRO 56 Ca 0.14 -0.27 0.22 0.00 -0.87 0.00 0.00 66.00 65.23 2qal h PRO 56 Cb 0.12 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.15 2qal h PRO 56 CO -0.16 0.85 0.37 0.00 -0.23 0.00 0.00 178.00 178.84 2qal h ALA 57 N 0.60 1.41 -0.27 -0.56 0.00 -1.92 -0.19 119.26 118.34 2qal h ALA 57 Ca 0.02 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2qal h ALA 57 Cb 0.80 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2qal h ALA 57 CO 0.05 -0.37 0.17 0.00 0.00 0.00 0.00 179.25 179.11 2qal h ALA 58 N 1.72 0.34 0.39 0.00 0.00 -1.55 -2.30 119.26 117.86 2qal h ALA 58 Ca 0.56 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 2qal h ALA 58 Cb 1.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2qal h ALA 58 CO -0.55 -0.19 -0.20 0.82 0.00 0.00 0.00 179.25 179.14 2qal h ILE 59 N 0.36 0.60 -0.73 0.00 2.04 -1.14 0.10 117.51 118.74 2qal h ILE 59 Ca 0.10 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.09 2qal h ILE 59 Cb -0.03 0.60 -0.09 0.00 -0.74 0.00 0.00 36.82 36.55 2qal h ILE 59 CO -0.02 0.00 0.27 -0.61 0.00 0.00 0.00 178.15 177.79 2qal h GLN 60 N -0.54 0.40 0.00 2.37 5.75 -1.26 0.11 115.11 121.94 2qal h GLN 60 Ca -0.05 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.34 2qal h GLN 60 Cb 0.42 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 2qal h GLN 60 CO 0.08 0.27 -0.41 1.57 -2.65 0.00 0.00 178.83 177.69 2qal h LYS 61 N 0.41 0.00 0.00 1.69 2.10 -1.26 -3.00 116.57 116.51 2qal h LYS 61 Ca 0.40 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.03 2qal h LYS 61 Cb 0.59 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.92 2qal h LYS 61 CO -0.40 0.41 -0.05 0.00 -2.00 0.00 0.00 179.45 177.40 2qal h ALA 62 N 1.59 0.97 -0.10 0.07 0.00 0.14 -3.21 119.26 118.72 2qal h ALA 62 Ca -0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2qal h ALA 62 Cb 1.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2qal h ALA 62 CO 0.05 0.07 -0.24 0.52 0.00 0.00 0.00 179.25 179.65 2qal h MET 63 N 0.00 0.34 -0.50 0.00 2.86 -0.75 -2.79 114.93 114.10 2qal h MET 63 Ca -0.00 -0.23 0.10 0.00 -2.06 0.00 0.00 59.70 57.51 2qal h MET 63 Cb 0.91 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.52 2qal h MET 63 CO 0.01 0.84 -0.06 1.49 1.06 0.00 0.00 176.91 180.24 2qal h GLU 64 N -0.10 0.05 -0.75 1.72 4.57 -1.58 0.17 114.58 118.66 2qal h GLU 64 Ca -0.00 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 2qal h GLU 64 Cb 0.84 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.37 2qal h GLU 64 CO 0.05 0.03 0.49 0.87 -1.18 0.00 0.00 179.01 179.28 2qal h LYS 65 N 0.05 0.78 0.23 1.92 1.79 -1.58 0.37 116.57 120.14 2qal h LYS 65 Ca 0.25 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.66 2qal h LYS 65 Cb 0.38 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2qal h LYS 65 CO -0.47 0.52 -0.11 0.00 -1.08 0.00 0.00 179.45 178.31 2qal h ALA 66 N 1.59 -0.31 -0.19 3.86 0.00 -0.55 -3.29 119.26 120.37 2qal h ALA 66 Ca 0.32 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2qal h ALA 66 Cb 0.23 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2qal h ALA 66 CO -0.11 -0.41 -0.23 0.00 0.00 0.00 0.00 179.25 178.50 2qal h ARG 67 N -0.84 -0.25 -6.80 0.00 3.08 -0.55 -3.40 114.38 105.62 2qal h ARG 67 Ca -0.03 0.02 -0.51 0.00 0.07 0.00 0.00 59.98 59.52 2qal h ARG 67 Cb 0.51 0.06 0.03 0.00 0.08 0.00 0.00 29.97 30.65 2qal h ARG 67 CO 0.05 -0.16 0.52 1.03 -1.07 0.00 0.00 179.97 180.34 2qal s ARG 68 N -6.09 4.56 -0.39 0.04 1.81 0.10 -4.27 118.95 114.70 2qal s ARG 68 Ca -0.15 1.90 -0.14 0.00 -1.72 0.00 0.00 55.73 55.63 2qal s ARG 68 Cb 0.11 -3.17 0.02 0.00 -0.45 0.00 0.00 34.95 31.46 2qal s ARG 68 CO 0.68 0.09 0.51 0.09 -0.68 0.00 0.00 175.30 175.99 2qal n ASN 69 N 1.28 -7.65 0.00 0.23 4.13 -1.26 -4.75 115.26 107.24 2qal n ASN 69 Ca -0.00 0.59 0.00 0.00 1.68 0.00 0.00 54.58 56.85 2qal n ASN 69 Cb 0.44 -5.16 0.00 0.00 -1.54 0.00 0.00 39.78 33.52 2qal n ASN 69 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2qal n MET 70 N -0.22 0.00 -3.64 3.52 2.81 -1.26 -4.76 117.12 113.57 2qal n MET 70 Ca 0.10 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.97 2qal n MET 70 Cb 0.39 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.85 2qal n MET 70 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2qal s ILE 71 N 3.82 0.00 -0.30 2.02 2.07 -0.36 -4.82 121.20 123.63 2qal s ILE 71 Ca 0.00 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.19 2qal s ILE 71 Cb 0.00 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.62 2qal s ILE 71 CO 0.00 0.00 0.05 0.20 -1.91 0.00 0.00 174.94 173.28 2qal s ASN 72 N -0.78 4.99 -0.21 4.50 -0.87 -1.24 -2.61 114.94 118.72 2qal s ASN 72 Ca 0.08 -0.94 -0.06 0.00 -1.57 0.00 0.00 52.86 50.37 2qal s ASN 72 Cb -0.02 -1.81 -0.03 0.00 -0.02 0.00 0.00 41.25 39.37 2qal s ASN 72 CO -0.09 -0.23 0.04 -0.69 -2.57 0.00 0.00 177.10 173.56 2qal s VAL 73 N 1.40 4.29 -0.87 1.60 1.01 -0.68 -5.00 120.40 122.16 2qal s VAL 73 Ca -0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 2qal s VAL 73 Cb -0.18 -2.96 -0.11 0.00 0.00 0.00 0.00 36.38 33.13 2qal s VAL 73 CO 0.01 0.41 2.19 0.00 0.00 0.00 0.00 175.10 177.71 2qal s ALA 74 N 1.03 1.10 -0.36 5.51 0.00 -1.26 -4.63 121.76 123.15 2qal s ALA 74 Ca 0.03 -1.17 -0.19 0.00 0.00 0.00 0.00 51.96 50.63 2qal s ALA 74 Cb -0.14 -4.58 -0.00 0.00 0.00 0.00 0.00 23.12 18.40 2qal s ALA 74 CO 0.02 -5.52 0.55 -0.51 0.00 0.00 0.00 175.76 170.30 2qal s LEU 75 N 12.93 4.34 -0.51 0.00 1.43 -1.26 -4.45 118.68 131.17 2qal s LEU 75 Ca 0.82 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.63 2qal s LEU 75 Cb -0.10 -2.64 0.03 0.00 0.03 0.00 0.00 46.19 43.52 2qal s LEU 75 CO 0.05 -0.52 1.17 0.21 0.23 0.00 0.00 176.35 177.49 2qal s ASN 76 N 1.78 6.56 0.67 2.29 2.47 -1.19 -4.75 114.94 122.77 2qal s ASN 76 Ca 0.20 0.36 0.00 0.00 0.42 0.00 0.00 52.86 53.84 2qal s ASN 76 Cb -0.15 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 2qal s ASN 76 CO 0.14 -1.34 0.00 -3.20 -3.72 0.00 0.00 177.10 168.98 2qal n ASN 77 N 8.09 0.00 0.00 -4.21 2.85 -1.26 -2.14 115.26 118.59 2qal n ASN 77 Ca 0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 2qal n ASN 77 Cb 0.49 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.51 2qal n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qal n GLY 78 N 0.00 0.26 0.00 8.20 0.00 -1.26 -4.99 105.19 107.40 2qal n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qal n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qal n THR 79 N -0.01 0.00 -3.11 2.61 5.66 -0.91 0.44 114.28 118.96 2qal n THR 79 Ca 0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 2qal n THR 79 Cb 0.22 -0.09 -0.06 0.00 -1.55 0.00 0.00 70.33 68.85 2qal n THR 79 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2qal s LEU 80 N 0.00 4.03 0.49 1.09 1.43 -1.26 -3.16 118.68 121.30 2qal s LEU 80 Ca 0.00 1.25 0.15 0.00 -1.03 0.00 0.00 54.13 54.50 2qal s LEU 80 Cb 0.00 -4.07 1.16 0.00 0.03 0.00 0.00 46.19 43.32 2qal s LEU 80 CO 0.00 -0.23 2.09 -0.61 0.23 0.00 0.00 176.35 177.84 2qal h GLN 81 N 2.12 0.03 -1.64 1.70 5.75 -1.87 -3.43 115.11 117.77 2qal h GLN 81 Ca -0.48 -0.00 0.27 0.00 -0.15 0.00 0.00 58.65 58.29 2qal h GLN 81 Cb 1.18 -0.01 -0.14 0.00 1.07 0.00 0.00 27.48 29.58 2qal h GLN 81 CO 0.65 0.08 0.75 -3.38 -2.65 0.00 0.00 178.83 174.28 2qal s HIS 82 N -4.95 -0.10 0.09 3.99 -3.43 -1.26 -5.00 115.29 104.62 2qal s HIS 82 Ca -0.05 -0.02 -0.31 0.00 -0.80 0.00 0.00 55.06 53.88 2qal s HIS 82 Cb 0.17 0.55 -0.09 0.00 -1.43 0.00 0.00 32.58 31.78 2qal s HIS 82 CO 0.68 -0.35 1.69 -1.25 -2.00 0.00 0.00 174.74 173.51 2qal s PRO 83 N -2.59 4.18 0.55 -0.38 0.04 -1.26 -4.63 135.00 130.91 2qal s PRO 83 Ca 0.12 2.40 0.03 0.00 0.04 0.00 0.00 61.00 63.59 2qal s PRO 83 Cb 0.02 -3.57 0.03 0.00 0.04 0.00 0.00 34.50 31.02 2qal s PRO 83 CO -0.04 -0.75 0.24 0.14 0.04 0.00 0.00 177.00 176.64 2qal s VAL 84 N 2.57 1.30 -0.42 -0.36 -7.23 0.11 -4.97 120.40 111.39 2qal s VAL 84 Ca 0.75 -1.70 0.08 0.00 -1.81 0.00 0.00 61.98 59.30 2qal s VAL 84 Cb -0.42 -2.00 0.34 0.00 0.56 0.00 0.00 36.38 34.86 2qal s VAL 84 CO 0.33 0.00 1.00 1.17 -0.31 0.00 0.00 175.10 177.29 2qal n LYS 85 N -1.61 1.01 -0.52 4.82 4.81 -1.26 -1.83 118.16 123.59 2qal n LYS 85 Ca -0.10 -2.44 -0.29 0.00 -0.87 0.00 0.00 58.31 54.60 2qal n LYS 85 Cb 0.66 -1.22 0.24 0.00 0.02 0.00 0.00 35.03 34.73 2qal n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qal n GLY 86 N 0.28 -1.87 3.56 3.14 0.00 -0.88 -4.71 105.19 104.72 2qal n GLY 86 Ca 0.12 -1.08 -0.07 0.00 0.00 0.00 0.00 46.02 44.98 2qal n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qal s VAL 87 N -2.42 0.00 -0.29 1.61 0.11 -1.25 -1.10 120.40 117.07 2qal s VAL 87 Ca 0.67 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.51 2qal s VAL 87 Cb -0.24 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.74 2qal s VAL 87 CO 0.65 0.00 1.02 -2.28 -3.33 0.00 0.00 175.10 171.15 2qal s HIS 88 N -2.12 -0.51 0.00 1.54 2.46 -0.78 -4.79 115.29 111.08 2qal s HIS 88 Ca 0.04 1.13 0.00 0.00 0.47 0.00 0.00 55.06 56.70 2qal s HIS 88 Cb -0.01 0.37 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 2qal s HIS 88 CO -0.04 -0.25 0.00 2.41 -2.47 0.00 0.00 174.74 174.39 2qal n THR 89 N 2.86 0.00 -0.40 0.89 -1.04 -1.26 -1.67 114.28 113.66 2qal n THR 89 Ca -0.15 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.87 2qal n THR 89 Cb 0.57 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 69.34 2qal n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qal n GLY 90 N 0.00 2.77 3.24 3.41 0.00 -1.26 -4.82 105.19 108.53 2qal n GLY 90 Ca 0.00 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 2qal n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qal s SER 91 N -0.57 5.17 -0.18 1.61 0.15 -0.67 0.42 113.70 119.63 2qal s SER 91 Ca 0.39 -1.19 -0.10 0.00 0.70 0.00 0.00 55.95 55.75 2qal s SER 91 Cb 0.31 -1.82 -0.05 0.00 -1.71 0.00 0.00 66.02 62.75 2qal s SER 91 CO 0.11 -0.31 0.15 -0.13 1.20 0.00 0.00 173.24 174.26 2qal s ARG 92 N 1.35 4.04 -0.01 5.44 1.81 0.18 -1.87 118.95 129.87 2qal s ARG 92 Ca -0.03 -0.16 0.05 0.00 -1.72 0.00 0.00 55.73 53.87 2qal s ARG 92 Cb -0.20 -3.37 -0.01 0.00 -0.45 0.00 0.00 34.95 30.92 2qal s ARG 92 CO 0.01 0.40 -0.16 0.08 -0.68 0.00 0.00 175.30 174.95 2qal s VAL 93 N 0.06 1.26 -0.20 3.52 1.01 -0.26 -0.12 120.40 125.67 2qal s VAL 93 Ca 0.11 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2qal s VAL 93 Cb -0.11 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 35.26 2qal s VAL 93 CO 0.00 0.36 -0.10 0.12 0.00 0.00 0.00 175.10 175.47 2qal s PHE 94 N -0.33 2.47 -0.12 5.22 2.19 -1.13 -2.07 117.98 124.21 2qal s PHE 94 Ca 0.05 -1.64 -0.02 0.00 0.33 0.00 0.00 56.93 55.65 2qal s PHE 94 Cb -0.07 -1.66 -0.03 0.00 -1.31 0.00 0.00 43.02 39.96 2qal s PHE 94 CO -0.00 -0.75 -0.04 1.41 1.83 0.00 0.00 175.22 177.66 2qal s MET 95 N 1.38 3.35 -0.03 10.12 1.75 -0.76 -1.28 119.30 133.82 2qal s MET 95 Ca -0.02 -0.52 0.01 0.00 -1.25 0.00 0.00 55.69 53.91 2qal s MET 95 Cb -0.16 -2.81 0.02 0.00 2.84 0.00 0.00 34.83 34.72 2qal s MET 95 CO -0.08 0.41 -0.02 -1.14 -0.65 0.00 0.00 175.02 173.53 2qal s GLN 96 N -0.09 0.49 0.14 4.11 0.74 -1.26 0.08 119.66 123.86 2qal s GLN 96 Ca 0.02 -0.04 -0.31 0.00 0.05 0.00 0.00 55.36 55.08 2qal s GLN 96 Cb -0.13 -0.56 -0.09 0.00 1.10 0.00 0.00 33.01 33.32 2qal s GLN 96 CO 0.03 -0.06 1.54 -1.25 -0.55 0.00 0.00 175.29 174.99 2qal s PRO 97 N 0.72 4.24 0.44 1.67 0.04 -1.26 -1.91 135.00 138.94 2qal s PRO 97 Ca -0.08 2.28 0.08 0.00 0.04 0.00 0.00 61.00 63.32 2qal s PRO 97 Cb -0.11 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2qal s PRO 97 CO -0.01 -0.59 0.50 0.00 0.04 0.00 0.00 177.00 176.95 2qal s ALA 98 N 1.37 4.35 0.83 8.56 0.00 -0.75 -4.81 121.76 131.31 2qal s ALA 98 Ca 0.69 -1.78 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 2qal s ALA 98 Cb -0.41 -1.33 0.09 0.00 0.00 0.00 0.00 23.12 21.46 2qal s ALA 98 CO 0.31 -0.31 1.10 0.45 0.00 0.00 0.00 175.76 177.31 2qal s SER 99 N -4.29 4.21 -0.31 0.00 0.15 -1.26 -4.76 113.70 107.44 2qal s SER 99 Ca 0.52 1.30 -0.28 0.00 0.70 0.00 0.00 55.95 58.19 2qal s SER 99 Cb -0.07 -2.01 -0.02 0.00 -1.71 0.00 0.00 66.02 62.21 2qal s SER 99 CO 0.31 -2.15 1.86 -1.61 1.20 0.00 0.00 173.24 172.85 2qal s GLU 100 N -5.13 3.31 0.00 5.44 2.02 -1.26 -1.97 118.70 121.11 2qal s GLU 100 Ca 0.62 1.52 0.00 0.00 0.02 0.00 0.00 54.97 57.12 2qal s GLU 100 Cb -0.15 -4.22 0.00 0.00 0.10 0.00 0.00 34.13 29.86 2qal s GLU 100 CO 0.55 -1.89 0.00 0.41 0.02 0.00 0.00 175.26 174.35 2qal n GLY 101 N 5.47 1.23 0.28 -1.39 0.00 -1.26 -4.96 105.19 104.55 2qal n GLY 101 Ca 0.24 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.39 2qal n GLY 101 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qal h THR 102 N 0.00 0.62 0.00 2.61 2.02 -1.73 -3.49 112.91 112.94 2qal h THR 102 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2qal h THR 102 Cb 0.00 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 2qal h THR 102 CO 0.00 0.05 0.00 0.61 0.37 0.00 0.00 175.52 176.55 2qal n GLY 103 N -1.13 -2.22 3.57 2.16 0.00 -1.25 -4.79 105.19 101.53 2qal n GLY 103 Ca -0.03 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 2qal n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qal s ILE 104 N -2.59 4.28 -0.58 -0.61 2.07 -0.74 -2.84 121.20 120.19 2qal s ILE 104 Ca 0.00 0.81 -0.05 0.00 -1.41 0.00 0.00 60.65 60.01 2qal s ILE 104 Cb 0.00 -4.57 0.15 0.00 0.13 0.00 0.00 42.46 38.17 2qal s ILE 104 CO 0.00 -1.06 0.42 -0.63 -1.91 0.00 0.00 174.94 171.76 2qal s ILE 105 N 4.26 3.88 0.13 2.00 1.01 -0.35 -4.96 121.20 127.17 2qal s ILE 105 Ca 0.40 -2.59 -0.08 0.00 0.00 0.00 0.00 60.65 58.37 2qal s ILE 105 Cb -0.09 -3.54 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 2qal s ILE 105 CO 0.26 -0.84 0.23 0.00 0.00 0.00 0.00 174.94 174.59 2qal s ALA 106 N 0.37 -0.01 1.00 9.38 0.00 -1.26 -2.21 121.76 129.03 2qal s ALA 106 Ca 0.14 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2qal s ALA 106 Cb -0.20 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.64 2qal s ALA 106 CO -0.04 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2qal n GLY 107 N -0.15 -2.22 0.00 0.00 0.00 -1.26 -4.52 105.19 97.04 2qal n GLY 107 Ca -0.10 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2qal n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qal n GLY 108 N 1.74 -2.28 0.42 -0.02 0.00 -1.26 -2.80 105.19 100.98 2qal n GLY 108 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.25 2qal n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qal h ALA 109 N -2.00 2.43 0.19 4.61 0.00 -1.93 -2.59 119.26 119.97 2qal h ALA 109 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qal h ALA 109 Cb 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2qal h ALA 109 CO 0.00 -0.84 -0.45 0.52 0.00 0.00 0.00 179.25 178.48 2qal h MET 110 N 0.00 -0.68 -0.46 0.00 2.07 -1.91 -3.05 114.93 110.91 2qal h MET 110 Ca 0.29 0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 57.93 2qal h MET 110 Cb 1.34 0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 31.20 2qal h MET 110 CO -0.00 -0.45 0.18 0.07 1.07 0.00 0.00 176.91 177.77 2qal h ARG 111 N -0.70 0.69 -0.95 1.72 0.11 -1.29 -2.94 114.38 111.02 2qal h ARG 111 Ca -0.02 -0.13 0.32 0.00 0.10 0.00 0.00 59.98 60.25 2qal h ARG 111 Cb 0.67 -0.11 -0.17 0.00 1.11 0.00 0.00 29.97 31.47 2qal h ARG 111 CO -0.19 0.63 0.22 0.00 0.10 0.00 0.00 179.97 180.73 2qal n ALA 112 N -2.33 0.68 0.06 0.08 0.00 -1.16 0.08 120.51 117.93 2qal n ALA 112 Ca 0.01 0.99 -0.19 0.00 0.00 0.00 0.00 53.44 54.26 2qal n ALA 112 Cb 0.16 -0.83 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 2qal n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2qal h VAL 113 N 0.00 1.06 0.00 0.00 -1.51 -1.50 -3.30 116.25 111.00 2qal h VAL 113 Ca 0.67 -2.69 -0.06 0.00 -1.23 0.00 0.00 66.70 63.39 2qal h VAL 113 Cb 1.57 2.75 -0.01 0.00 -2.13 0.00 0.00 31.29 33.46 2qal h VAL 113 CO -0.82 0.82 -0.29 -0.07 -1.23 0.00 0.00 177.57 175.98 2qal h LEU 114 N 0.08 0.00 0.10 4.19 3.38 -0.49 -0.83 115.31 121.74 2qal h LEU 114 Ca -0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2qal h LEU 114 Cb 2.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.80 2qal h LEU 114 CO 0.16 0.29 -0.05 -0.08 0.09 0.00 0.00 178.44 178.85 2qal h GLU 115 N 0.00 -0.13 0.00 1.13 4.22 -0.48 -2.02 114.58 117.29 2qal h GLU 115 Ca -0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2qal h GLU 115 Cb 0.54 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2qal h GLU 115 CO 0.04 0.34 0.00 -0.39 -2.18 0.00 0.00 179.01 176.82 2qal h VAL 116 N -0.70 0.00 0.00 0.32 -1.51 -1.62 -2.94 116.25 109.80 2qal h VAL 116 Ca -0.01 -0.51 -0.07 0.00 -1.23 0.00 0.00 66.70 64.88 2qal h VAL 116 Cb 0.54 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 31.12 2qal h VAL 116 CO 0.02 0.00 -0.33 0.00 -1.23 0.00 0.00 177.57 176.04 2qal h ALA 117 N 2.15 1.02 0.00 5.19 0.00 -1.15 -2.60 119.26 123.87 2qal h ALA 117 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2qal h ALA 117 Cb 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2qal h ALA 117 CO 0.00 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.07 2qal n GLY 118 N 0.17 1.03 3.76 0.00 0.00 -1.11 -3.53 105.19 105.50 2qal n GLY 118 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2qal n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qal s VAL 119 N -2.00 3.39 0.00 1.61 1.01 -0.77 -4.75 120.40 118.89 2qal s VAL 119 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2qal s VAL 119 Cb 0.00 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2qal s VAL 119 CO 0.00 0.33 0.00 1.41 0.00 0.00 0.00 175.10 176.84 2qal n HIS 120 N 1.11 0.00 -3.59 5.22 -0.00 0.17 -4.41 115.22 113.72 2qal n HIS 120 Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.42 2qal n HIS 120 Cb 0.44 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.29 2qal n HIS 120 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2qal s ASN 121 N -1.94 3.54 -0.19 0.41 0.01 -1.21 -1.78 114.94 113.77 2qal s ASN 121 Ca 0.00 -1.78 -0.13 0.00 -0.71 0.00 0.00 52.86 50.24 2qal s ASN 121 Cb 0.00 -0.58 0.06 0.00 0.41 0.00 0.00 41.25 41.13 2qal s ASN 121 CO 0.00 -0.38 0.47 0.68 -1.51 0.00 0.00 177.10 176.36 2qal s VAL 122 N 1.49 -0.01 -0.83 1.60 -7.23 -1.13 -1.80 120.40 112.49 2qal s VAL 122 Ca 0.13 0.04 -0.04 0.00 -1.81 0.00 0.00 61.98 60.29 2qal s VAL 122 Cb -0.19 -0.68 0.21 0.00 0.56 0.00 0.00 36.38 36.28 2qal s VAL 122 CO -0.19 0.02 0.71 -1.48 -0.31 0.00 0.00 175.10 173.84 2qal s LEU 123 N 0.89 5.66 0.01 1.32 0.05 -0.80 -1.21 118.68 124.61 2qal s LEU 123 Ca -0.05 -3.34 0.01 0.00 0.05 0.00 0.00 54.13 50.79 2qal s LEU 123 Cb -0.06 -1.95 -0.04 0.00 -2.05 0.00 0.00 46.19 42.09 2qal s LEU 123 CO -0.07 -0.29 0.05 0.00 -0.55 0.00 0.00 176.35 175.49 2qal s ALA 124 N -0.80 3.48 -0.16 1.48 0.00 -0.94 -4.04 121.76 120.79 2qal s ALA 124 Ca 0.24 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 2qal s ALA 124 Cb -0.12 -1.48 0.04 0.00 0.00 0.00 0.00 23.12 21.56 2qal s ALA 124 CO -0.09 0.69 -0.05 0.21 0.00 0.00 0.00 175.76 176.51 2qal s LYS 125 N -1.78 1.40 0.10 0.00 2.47 -0.41 -4.34 119.74 117.18 2qal s LYS 125 Ca 0.23 -0.46 -0.05 0.00 -1.56 0.00 0.00 55.97 54.13 2qal s LYS 125 Cb -0.12 -1.92 -0.05 0.00 -1.46 0.00 0.00 37.83 34.28 2qal s LYS 125 CO 0.14 -0.41 0.34 0.00 0.16 0.00 0.00 175.35 175.58 2qal s ALA 126 N 1.66 3.82 0.12 3.13 0.00 -1.26 -2.84 121.76 126.39 2qal s ALA 126 Ca 0.01 -0.58 -0.14 0.00 0.00 0.00 0.00 51.96 51.25 2qal s ALA 126 Cb -0.15 -2.09 0.03 0.00 0.00 0.00 0.00 23.12 20.91 2qal s ALA 126 CO -0.08 0.68 0.36 1.52 0.00 0.00 0.00 175.76 178.24 2qal s TYR 127 N -1.55 -0.10 0.00 0.00 -0.00 0.83 -4.99 117.35 111.54 2qal s TYR 127 Ca 0.37 -0.24 0.00 0.00 -0.00 0.00 0.00 57.07 57.19 2qal s TYR 127 Cb -0.13 0.19 0.00 0.00 -0.00 0.00 0.00 41.96 42.02 2qal s TYR 127 CO 0.23 -0.68 0.00 0.41 -0.00 0.00 0.00 175.55 175.51 2qal n GLY 128 N -0.20 1.20 3.58 5.49 0.00 -1.26 -0.65 105.19 113.35 2qal n GLY 128 Ca -0.15 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 2qal n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qal s SER 129 N -4.00 6.27 0.00 1.61 0.15 0.17 -4.93 113.70 112.97 2qal s SER 129 Ca 0.00 0.08 0.30 0.00 0.70 0.00 0.00 55.95 57.03 2qal s SER 129 Cb 0.00 -2.23 1.41 0.00 -1.71 0.00 0.00 66.02 63.49 2qal s SER 129 CO 0.00 -0.32 1.97 0.35 1.20 0.00 0.00 173.24 176.43 2qal n THR 130 N 5.25 0.00 -1.65 6.45 -2.24 -1.26 -4.45 114.28 116.38 2qal n THR 130 Ca -0.07 -0.06 -0.51 0.00 -2.27 0.00 0.00 64.05 61.14 2qal n THR 130 Cb 0.50 -0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 2qal n THR 130 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2qal n ASN 131 N -0.91 2.48 0.28 3.42 5.15 -1.26 -4.79 115.26 119.64 2qal n ASN 131 Ca 0.17 1.08 -0.17 0.00 -0.60 0.00 0.00 54.58 55.05 2qal n ASN 131 Cb 0.24 -1.27 -0.09 0.00 -0.53 0.00 0.00 39.78 38.13 2qal n ASN 131 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2qal h PRO 132 N 6.28 -0.90 -1.19 1.20 0.13 -1.98 0.11 132.00 135.65 2qal h PRO 132 Ca -0.47 0.06 0.44 0.00 -0.87 0.00 0.00 66.00 65.16 2qal h PRO 132 Cb 1.30 0.21 -0.15 0.00 0.13 0.00 0.00 31.00 32.49 2qal h PRO 132 CO 0.87 -0.60 0.73 -0.89 -0.23 0.00 0.00 178.00 177.88 2qal n ILE 133 N -5.54 -0.31 -0.06 -3.56 5.41 -1.26 -0.21 119.36 113.84 2qal n ILE 133 Ca -0.11 1.82 -0.08 0.00 1.00 0.00 0.00 62.75 65.38 2qal n ILE 133 Cb 0.44 -2.98 -0.15 0.00 -0.71 0.00 0.00 39.64 36.24 2qal n ILE 133 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2qal n ASN 134 N -4.85 0.38 0.43 4.38 3.02 -1.03 -4.00 115.26 113.59 2qal n ASN 134 Ca 0.38 0.18 -0.17 0.00 -0.03 0.00 0.00 54.58 54.94 2qal n ASN 134 Cb 1.41 0.60 -0.08 0.00 -0.61 0.00 0.00 39.78 41.10 2qal n ASN 134 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2qal h VAL 135 N 0.00 0.00 -0.31 2.41 2.07 0.21 -2.10 116.25 118.53 2qal h VAL 135 Ca -0.40 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.06 2qal h VAL 135 Cb 2.05 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.74 2qal h VAL 135 CO 0.05 0.00 -0.29 1.62 0.02 0.00 0.00 177.57 178.96 2qal h VAL 136 N -1.24 0.29 -0.73 2.57 3.04 -1.55 0.55 116.25 119.18 2qal h VAL 136 Ca -0.11 0.00 0.17 0.00 -1.01 0.00 0.00 66.70 65.74 2qal h VAL 136 Cb 0.85 0.29 -0.04 0.00 -2.01 0.00 0.00 31.29 30.38 2qal h VAL 136 CO 0.19 0.00 0.50 -0.09 -1.01 0.00 0.00 177.57 177.16 2qal h ARG 137 N -0.27 0.27 0.00 4.17 2.43 -1.69 0.27 114.38 119.56 2qal h ARG 137 Ca 0.15 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.17 2qal h ARG 137 Cb 0.51 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2qal h ARG 137 CO -0.47 0.18 -0.53 0.00 -1.51 0.00 0.00 179.97 177.64 2qal h ALA 138 N 1.65 0.06 -0.14 2.80 0.00 -0.01 -2.79 119.26 120.84 2qal h ALA 138 Ca 0.36 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2qal h ALA 138 Cb 1.01 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2qal h ALA 138 CO -0.09 0.30 -0.05 1.15 0.00 0.00 0.00 179.25 180.56 2qal h THR 139 N -0.19 0.81 -0.43 0.00 2.02 0.18 -1.62 112.91 113.68 2qal h THR 139 Ca -0.07 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.19 2qal h THR 139 Cb 1.26 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 68.42 2qal h THR 139 CO 0.10 0.00 0.07 0.40 0.37 0.00 0.00 175.52 176.47 2qal h ILE 140 N -0.03 0.75 -0.43 3.11 2.04 -0.63 -0.33 117.51 121.99 2qal h ILE 140 Ca 0.07 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.92 2qal h ILE 140 Cb 0.14 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2qal h ILE 140 CO -0.16 0.04 0.29 -0.78 0.00 0.00 0.00 178.15 177.53 2qal h ASP 141 N 0.20 0.31 0.74 1.72 1.82 -1.14 -2.64 116.42 117.42 2qal h ASP 141 Ca 0.21 -0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.82 2qal h ASP 141 Cb 0.28 -0.07 0.01 0.00 0.68 0.00 0.00 39.33 40.22 2qal h ASP 141 CO -0.29 0.21 -0.35 1.23 -1.61 0.00 0.00 179.24 178.42 2qal h GLY 142 N 0.36 -1.03 0.38 -0.78 0.00 -0.11 -2.39 103.07 99.50 2qal h GLY 142 Ca 0.19 0.38 0.20 0.00 0.00 0.00 0.00 47.33 48.10 2qal h GLY 142 CO -0.04 -0.37 0.62 1.41 0.00 0.00 0.00 176.54 178.15 2qal h LEU 143 N -1.09 0.00 -0.42 3.11 3.38 -1.14 0.54 115.31 119.69 2qal h LEU 143 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2qal h LEU 143 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2qal h LEU 143 CO 0.17 0.00 0.00 -0.08 0.09 0.00 0.00 178.44 178.62 2qal h GLU 144 N 0.00 0.00 0.13 1.13 4.81 -1.10 -3.26 114.58 116.30 2qal h GLU 144 Ca 0.32 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.22 2qal h GLU 144 Cb 1.56 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.93 2qal h GLU 144 CO -0.00 0.00 -1.70 -0.91 -0.73 0.00 0.00 179.01 175.67 2qal h ASN 145 N 0.00 0.43 -2.31 1.04 2.35 0.28 -3.46 115.58 113.91 2qal h ASN 145 Ca 0.00 -0.69 -0.54 0.00 -0.55 0.00 0.00 56.30 54.52 2qal h ASN 145 Cb 0.67 -0.14 0.02 0.00 0.05 0.00 0.00 38.32 38.92 2qal h ASN 145 CO 0.00 1.59 1.27 0.00 -1.65 0.00 0.00 177.43 178.65 2qal s MET 146 N -2.59 4.00 -0.11 0.81 0.23 -1.19 -4.97 119.30 115.47 2qal s MET 146 Ca -0.13 2.55 -0.05 0.00 -1.03 0.00 0.00 55.69 57.03 2qal s MET 146 Cb 0.06 -4.20 -0.04 0.00 -1.53 0.00 0.00 34.83 29.13 2qal s MET 146 CO 0.84 -1.12 0.07 0.54 -2.03 0.00 0.00 175.02 173.32 2qal s ASN 147 N 5.00 5.83 0.66 -1.18 2.20 -1.26 -4.69 114.94 121.49 2qal s ASN 147 Ca 0.91 0.29 -0.16 0.00 -0.94 0.00 0.00 52.86 52.95 2qal s ASN 147 Cb -0.42 -1.81 0.00 0.00 -2.00 0.00 0.00 41.25 37.02 2qal s ASN 147 CO 0.41 0.37 1.17 -0.94 -2.94 0.00 0.00 177.10 175.17 2qal s SER 148 N -0.79 4.82 0.25 3.54 1.04 -1.26 -4.84 113.70 116.46 2qal s SER 148 Ca 0.13 2.23 -0.05 0.00 0.48 0.00 0.00 55.95 58.74 2qal s SER 148 Cb -0.12 -2.58 0.30 0.00 0.10 0.00 0.00 66.02 63.73 2qal s SER 148 CO 0.03 -1.84 1.90 1.55 0.98 0.00 0.00 173.24 175.87 2qal h PRO 149 N 0.18 1.21 -0.09 4.02 0.13 -1.98 -0.26 132.00 135.21 2qal h PRO 149 Ca -0.48 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.54 2qal h PRO 149 Cb 1.28 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 2qal h PRO 149 CO 0.53 0.80 -0.10 1.05 -0.23 0.00 0.00 178.00 180.04 2qal h GLU 150 N 1.25 0.13 -0.23 0.86 9.09 -2.00 -1.29 114.58 122.39 2qal h GLU 150 Ca 0.38 -0.02 -0.16 0.00 0.05 0.00 0.00 59.36 59.61 2qal h GLU 150 Cb -0.03 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.05 2qal h GLU 150 CO -0.12 0.24 -0.51 1.98 0.05 0.00 0.00 179.01 180.65 2qal h MET 151 N 0.13 0.65 -0.39 1.06 4.05 -1.44 -1.96 114.93 117.03 2qal h MET 151 Ca 0.03 -0.39 -0.05 0.00 -0.28 0.00 0.00 59.70 59.01 2qal h MET 151 Cb 0.27 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 2qal h MET 151 CO 0.02 1.01 0.04 0.28 0.23 0.00 0.00 176.91 178.49 2qal h VAL 152 N 0.51 1.20 -0.24 -5.77 2.07 -0.17 -2.02 116.25 111.83 2qal h VAL 152 Ca 0.02 -0.76 -0.15 0.00 0.82 0.00 0.00 66.70 66.63 2qal h VAL 152 Cb 1.07 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2qal h VAL 152 CO 0.10 0.27 -0.45 0.00 0.02 0.00 0.00 177.57 177.51 2qal h ALA 153 N 1.48 0.76 -0.88 1.67 0.00 -1.06 -2.80 119.26 118.43 2qal h ALA 153 Ca 0.13 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.61 2qal h ALA 153 Cb 0.30 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2qal h ALA 153 CO 0.01 0.66 0.58 0.00 0.00 0.00 0.00 179.25 180.49 2qal h ALA 154 N 1.01 1.46 0.33 0.00 0.00 -0.64 -3.04 119.26 118.38 2qal h ALA 154 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2qal h ALA 154 Cb 0.98 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2qal h ALA 154 CO 0.09 0.45 -0.16 0.87 0.00 0.00 0.00 179.25 180.50 2qal h LYS 155 N 1.09 -0.43 0.00 0.00 1.57 -1.20 -3.42 116.57 114.18 2qal h LYS 155 Ca 0.35 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2qal h LYS 155 Cb 0.03 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2qal h LYS 155 CO -0.11 -0.29 0.00 2.89 -0.57 0.00 0.00 179.45 181.38 2qal n ARG 156 N -3.20 1.80 0.00 3.15 0.00 -1.13 -4.71 116.66 112.56 2qal n ARG 156 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 2qal n ARG 156 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.64 2qal n ARG 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qal n GLY 157 N 5.00 0.24 3.78 2.89 0.00 -1.26 -4.86 105.19 110.98 2qal n GLY 157 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2qal n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60