#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qou s LEU 10 N 0.00 4.88 -1.18 -1.84 1.43 -1.26 -4.16 118.68 116.55 2qou s LEU 10 Ca 0.00 -0.69 -0.07 0.00 -1.03 0.00 0.00 54.13 52.34 2qou s LEU 10 Cb 0.00 -2.27 0.23 0.00 0.03 0.00 0.00 46.19 44.18 2qou s LEU 10 CO 0.00 -0.47 1.66 0.00 0.23 0.00 0.00 176.35 177.77 2qou n GLN 11 N 5.37 4.00 -2.04 1.70 6.02 0.17 -4.96 117.38 127.64 2qou n GLN 11 Ca -0.09 -4.03 -0.41 0.00 -0.01 0.00 0.00 57.00 52.46 2qou n GLN 11 Cb 0.48 -2.73 -0.03 0.00 1.02 0.00 0.00 30.24 28.98 2qou n GLN 11 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2qou s GLU 12 N -1.06 2.98 -0.03 -1.09 2.02 -1.26 -2.57 118.70 117.70 2qou s GLU 12 Ca 0.36 1.00 0.05 0.00 0.02 0.00 0.00 54.97 56.39 2qou s GLU 12 Cb 0.06 -4.29 -0.01 0.00 0.10 0.00 0.00 34.13 30.00 2qou s GLU 12 CO 0.05 -2.29 -0.18 0.21 0.02 0.00 0.00 175.26 173.06 2qou s LYS 13 N 6.33 1.68 -0.20 1.61 2.20 -0.95 -5.04 119.74 125.37 2qou s LYS 13 Ca 0.73 -0.66 -0.12 0.00 -0.36 0.00 0.00 55.97 55.56 2qou s LYS 13 Cb -0.17 -1.54 -0.05 0.00 -1.51 0.00 0.00 37.83 34.56 2qou s LYS 13 CO 0.27 0.34 0.20 -1.17 -0.36 0.00 0.00 175.35 174.63 2qou s LEU 14 N -0.23 4.20 0.00 5.43 1.98 -1.26 -0.76 118.68 128.04 2qou s LEU 14 Ca 0.02 0.30 0.00 0.00 -2.89 0.00 0.00 54.13 51.57 2qou s LEU 14 Cb -0.09 -2.20 0.00 0.00 0.66 0.00 0.00 46.19 44.56 2qou s LEU 14 CO 0.01 0.12 0.07 -0.38 -1.89 0.00 0.00 176.35 174.28 2qou n ILE 15 N 3.73 0.00 -3.51 6.68 5.41 0.43 -4.93 119.36 127.15 2qou n ILE 15 Ca -0.14 0.53 -0.11 0.00 1.00 0.00 0.00 62.75 64.03 2qou n ILE 15 Cb 0.52 -1.44 -0.02 0.00 -0.71 0.00 0.00 39.64 37.99 2qou n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qou s ALA 16 N -3.08 -1.56 -0.06 -1.39 0.00 -1.11 -5.03 121.76 109.53 2qou s ALA 16 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.38 2qou s ALA 16 Cb 0.00 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.96 2qou s ALA 16 CO 0.00 -0.81 -0.11 0.54 0.00 0.00 0.00 175.76 175.38 2qou s VAL 17 N -3.70 1.02 0.15 0.00 0.11 -1.26 -1.36 120.40 115.35 2qou s VAL 17 Ca 0.03 -0.42 0.06 0.00 -2.93 0.00 0.00 61.98 58.73 2qou s VAL 17 Cb -0.02 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 2qou s VAL 17 CO -0.09 0.33 0.02 0.20 -3.33 0.00 0.00 175.10 172.23 2qou s ASN 18 N 0.67 4.98 0.00 3.54 0.02 0.13 -4.95 114.94 119.33 2qou s ASN 18 Ca -0.13 -0.28 0.00 0.00 -1.02 0.00 0.00 52.86 51.42 2qou s ASN 18 Cb -0.15 -1.15 0.00 0.00 0.02 0.00 0.00 41.25 39.97 2qou s ASN 18 CO 0.03 0.11 0.14 -1.14 0.02 0.00 0.00 177.10 176.27 2qou n ARG 19 N 0.05 0.00 -1.07 -0.60 0.63 -1.26 -0.07 116.66 114.34 2qou n ARG 19 Ca -0.10 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 2qou n ARG 19 Cb 0.54 -0.83 0.00 0.00 0.45 0.00 0.00 32.46 32.62 2qou n ARG 19 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2qou n VAL 20 N -1.21 -2.32 -3.48 5.15 0.31 -1.26 -2.61 118.33 112.92 2qou n VAL 20 Ca 0.00 1.10 -0.15 0.00 -0.01 0.00 0.00 64.34 65.29 2qou n VAL 20 Cb 0.00 -1.76 -0.04 0.00 -0.91 0.00 0.00 33.84 31.13 2qou n VAL 20 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2qou s SER 21 N -4.34 -0.60 0.07 4.52 1.04 -1.26 -3.10 113.70 110.02 2qou s SER 21 Ca 0.00 0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.85 2qou s SER 21 Cb 0.00 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 2qou s SER 21 CO 0.00 -0.75 -0.06 -0.75 0.98 0.00 0.00 173.24 172.67 2qou s LYS 22 N -2.34 2.40 -0.16 4.02 2.20 -1.24 -4.88 119.74 119.74 2qou s LYS 22 Ca -0.05 -0.87 -0.01 0.00 -0.36 0.00 0.00 55.97 54.69 2qou s LYS 22 Cb -0.00 -2.45 -0.01 0.00 -1.51 0.00 0.00 37.83 33.86 2qou s LYS 22 CO -0.01 0.55 -0.12 -0.08 -0.36 0.00 0.00 175.35 175.33 2qou s THR 23 N -1.18 2.99 0.47 3.43 -1.32 -1.26 -1.10 115.64 117.67 2qou s THR 23 Ca 0.22 -0.66 0.02 0.00 -1.21 0.00 0.00 61.69 60.06 2qou s THR 23 Cb -0.11 -2.29 -0.02 0.00 -1.51 0.00 0.00 72.50 68.57 2qou s THR 23 CO 0.13 0.50 0.03 0.68 -2.21 0.00 0.00 174.62 173.75 2qou s VAL 24 N 0.82 1.14 0.61 5.08 -7.23 0.51 -4.96 120.40 116.37 2qou s VAL 24 Ca -0.04 -2.00 0.26 0.00 -1.81 0.00 0.00 61.98 58.39 2qou s VAL 24 Cb -0.15 -2.31 0.36 0.00 0.56 0.00 0.00 36.38 34.84 2qou s VAL 24 CO 0.01 0.00 1.54 0.07 -0.31 0.00 0.00 175.10 176.41 2qou h LYS 25 N 1.51 0.00 0.00 4.82 2.10 -1.99 -1.25 116.57 121.76 2qou h LYS 25 Ca -0.42 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2qou h LYS 25 Cb 1.30 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.63 2qou h LYS 25 CO 0.71 0.00 -0.10 0.78 -2.00 0.00 0.00 179.45 178.84 2qou h GLY 26 N 0.00 0.00 0.00 0.07 0.00 -2.01 -3.51 103.07 97.63 2qou h GLY 26 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2qou h GLY 26 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2qou n GLY 27 N 1.74 -0.85 0.23 4.60 0.00 -0.47 -5.16 105.19 105.28 2qou n GLY 27 Ca -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 2qou n GLY 27 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qou n ARG 28 N 0.00 -0.47 -3.65 1.61 1.85 -1.26 -0.36 116.66 114.38 2qou n ARG 28 Ca 0.00 -0.12 -0.06 0.00 -1.00 0.00 0.00 57.85 56.67 2qou n ARG 28 Cb 0.00 -0.09 -0.07 0.00 -1.05 0.00 0.00 32.46 31.25 2qou n ARG 28 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2qou s ILE 29 N -1.16 -0.78 -0.27 8.89 1.01 -0.26 -4.71 121.20 123.92 2qou s ILE 29 Ca 0.05 0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 2qou s ILE 29 Cb -0.00 -0.79 -0.06 0.00 0.01 0.00 0.00 42.46 41.61 2qou s ILE 29 CO 0.03 0.04 2.24 2.22 0.00 0.00 0.00 174.94 179.48 2qou n PHE 30 N 5.41 1.84 -4.35 3.97 1.16 -1.26 -3.63 117.46 120.60 2qou n PHE 30 Ca -0.10 -0.03 -0.18 0.00 -1.87 0.00 0.00 57.45 55.27 2qou n PHE 30 Cb 0.49 -2.68 -0.10 0.00 -1.61 0.00 0.00 39.48 35.58 2qou n PHE 30 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2qou s SER 31 N 8.49 2.35 -0.15 5.98 0.01 -1.18 -4.46 113.70 124.75 2qou s SER 31 Ca 1.03 -1.11 -0.10 0.00 1.31 0.00 0.00 55.95 57.08 2qou s SER 31 Cb -0.42 -0.10 0.05 0.00 0.21 0.00 0.00 66.02 65.76 2qou s SER 31 CO 0.37 -0.31 0.37 -0.36 0.41 0.00 0.00 173.24 173.71 2qou s PHE 32 N -3.13 -0.48 -0.13 2.43 0.08 0.10 -4.26 117.98 112.58 2qou s PHE 32 Ca 0.25 1.09 0.00 0.00 0.12 0.00 0.00 56.93 58.39 2qou s PHE 32 Cb 0.02 0.18 -0.01 0.00 -0.57 0.00 0.00 43.02 42.64 2qou s PHE 32 CO 0.08 -0.26 -0.14 0.95 -0.10 0.00 0.00 175.22 175.74 2qou s THR 33 N 0.87 2.92 -0.08 0.64 -4.23 0.91 -1.42 115.64 115.25 2qou s THR 33 Ca -0.05 -0.70 0.05 0.00 -1.18 0.00 0.00 61.69 59.80 2qou s THR 33 Cb -0.06 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.55 2qou s THR 33 CO -0.07 0.52 -0.24 0.00 -0.54 0.00 0.00 174.62 174.30 2qou s ALA 34 N 0.45 2.20 -0.33 3.99 0.00 0.13 -0.70 121.76 127.51 2qou s ALA 34 Ca -0.10 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.88 2qou s ALA 34 Cb -0.16 -0.76 0.09 0.00 0.00 0.00 0.00 23.12 22.29 2qou s ALA 34 CO 0.05 0.36 0.02 -1.17 0.00 0.00 0.00 175.76 175.03 2qou s LEU 35 N 0.04 4.51 -0.07 0.00 2.96 -0.47 -1.59 118.68 124.06 2qou s LEU 35 Ca -0.09 -1.99 0.05 0.00 -0.22 0.00 0.00 54.13 51.88 2qou s LEU 35 Cb -0.15 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 2qou s LEU 35 CO 0.06 -0.35 -0.24 0.42 -1.32 0.00 0.00 176.35 174.93 2qou s THR 36 N 0.95 1.97 -0.15 3.68 -4.23 -0.41 -0.43 115.64 117.02 2qou s THR 36 Ca 0.07 -1.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.55 2qou s THR 36 Cb -0.19 -1.68 -0.02 0.00 1.34 0.00 0.00 72.50 71.95 2qou s THR 36 CO -0.07 0.55 -0.07 0.68 -0.54 0.00 0.00 174.62 175.17 2qou s VAL 37 N 0.02 3.61 -0.11 2.29 -7.23 0.06 0.49 120.40 119.53 2qou s VAL 37 Ca -0.08 -0.46 -0.03 0.00 -1.81 0.00 0.00 61.98 59.60 2qou s VAL 37 Cb -0.15 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 2qou s VAL 37 CO 0.05 0.50 0.01 -0.69 -0.31 0.00 0.00 175.10 174.66 2qou s VAL 38 N 0.37 4.36 0.32 1.32 1.01 0.31 -2.25 120.40 125.85 2qou s VAL 38 Ca -0.06 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2qou s VAL 38 Cb -0.15 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 2qou s VAL 38 CO 0.04 0.57 0.17 -0.83 0.00 0.00 0.00 175.10 175.05 2qou s GLY 39 N -0.55 2.18 0.00 4.51 0.00 -1.06 0.49 107.32 112.89 2qou s GLY 39 Ca 0.09 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.10 2qou s GLY 39 CO 0.02 -1.62 0.47 2.09 0.00 0.00 0.00 173.10 174.06 2qou n ASP 40 N -1.06 0.84 -1.53 1.64 5.75 -0.38 0.43 116.55 122.25 2qou n ASP 40 Ca 0.01 -1.18 -0.20 0.00 -0.01 0.00 0.00 54.79 53.41 2qou n ASP 40 Cb 0.65 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.65 2qou n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qou n GLY 41 N -0.09 1.80 1.89 6.12 0.00 -0.71 -4.72 105.19 109.49 2qou n GLY 41 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2qou n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qou n ASN 42 N -1.18 -0.01 0.00 1.61 4.05 -1.21 -4.05 115.26 114.46 2qou n ASN 42 Ca -0.20 0.16 0.00 0.00 0.45 0.00 0.00 54.58 54.99 2qou n ASN 42 Cb 0.64 0.12 0.00 0.00 1.23 0.00 0.00 39.78 41.77 2qou n ASN 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2qou n GLY 43 N 1.73 0.06 3.67 8.20 0.00 -1.25 -4.67 105.19 112.94 2qou n GLY 43 Ca 0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2qou n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qou s ARG 44 N -1.00 4.32 -0.32 1.61 3.00 -1.25 -2.54 118.95 122.76 2qou s ARG 44 Ca 0.00 1.03 -0.01 0.00 0.00 0.00 0.00 55.73 56.75 2qou s ARG 44 Cb 0.00 -3.56 0.13 0.00 0.00 0.00 0.00 34.95 31.52 2qou s ARG 44 CO 0.00 -0.29 0.23 0.08 0.00 0.00 0.00 175.30 175.32 2qou s VAL 45 N 2.02 -0.14 -0.09 3.52 1.01 -1.21 -1.25 120.40 124.26 2qou s VAL 45 Ca 0.39 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2qou s VAL 45 Cb -0.17 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2qou s VAL 45 CO 0.13 -0.71 -0.08 -0.83 0.00 0.00 0.00 175.10 173.61 2qou s GLY 46 N 1.79 1.66 0.40 4.51 0.00 0.18 -3.75 107.32 112.10 2qou s GLY 46 Ca 0.13 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.96 2qou s GLY 46 CO -0.21 -0.54 0.55 1.97 0.00 0.00 0.00 173.10 174.87 2qou n PHE 47 N 2.57 -3.10 -3.58 1.90 -1.74 -1.26 0.11 117.46 112.36 2qou n PHE 47 Ca -0.18 -0.99 -0.13 0.00 -0.56 0.00 0.00 57.45 55.60 2qou n PHE 47 Cb 0.53 -0.40 -0.06 0.00 1.52 0.00 0.00 39.48 41.07 2qou n PHE 47 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 2qou s GLY 48 N -3.86 -0.35 -0.07 4.97 0.00 0.18 -3.82 107.32 104.36 2qou s GLY 48 Ca 0.37 1.95 -0.03 0.00 0.00 0.00 0.00 44.72 47.01 2qou s GLY 48 CO 0.24 1.20 0.13 -0.47 0.00 0.00 0.00 173.10 174.20 2qou s TYR 49 N -0.80 -0.13 0.17 1.90 5.04 -1.26 -1.28 117.35 121.00 2qou s TYR 49 Ca -0.03 0.50 -0.03 0.00 -2.44 0.00 0.00 57.07 55.07 2qou s TYR 49 Cb -0.01 -0.27 -0.03 0.00 0.35 0.00 0.00 41.96 42.00 2qou s TYR 49 CO 0.02 -0.23 0.16 0.20 -1.34 0.00 0.00 175.55 174.37 2qou s GLY 50 N 2.01 1.03 0.05 8.97 0.00 -0.62 -4.87 107.32 113.89 2qou s GLY 50 Ca 0.01 -1.41 -0.00 0.00 0.00 0.00 0.00 44.72 43.32 2qou s GLY 50 CO -0.05 -1.22 -0.04 -1.59 0.00 0.00 0.00 173.10 170.20 2qou s LYS 51 N -4.07 0.58 0.24 2.90 -2.85 -1.26 0.21 119.74 115.49 2qou s LYS 51 Ca 0.28 -1.12 -0.22 0.00 -1.00 0.00 0.00 55.97 53.92 2qou s LYS 51 Cb 0.06 0.13 0.05 0.00 -2.06 0.00 0.00 37.83 36.01 2qou s LYS 51 CO 0.06 -0.09 0.86 0.00 0.10 0.00 0.00 175.35 176.28 2qou s ALA 52 N -3.41 -1.35 -1.47 0.59 0.00 -0.51 -4.58 121.76 111.04 2qou s ALA 52 Ca 0.03 -0.22 0.29 0.00 0.00 0.00 0.00 51.96 52.07 2qou s ALA 52 Cb 0.04 0.73 1.31 0.00 0.00 0.00 0.00 23.12 25.20 2qou s ALA 52 CO -0.08 -1.04 1.92 -2.13 0.00 0.00 0.00 175.76 174.44 2qou n ARG 53 N -0.50 0.49 -4.62 0.00 0.63 -1.26 -0.72 116.66 110.68 2qou n ARG 53 Ca -0.05 -0.11 -0.25 0.00 -0.92 0.00 0.00 57.85 56.52 2qou n ARG 53 Cb 0.60 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.87 2qou n ARG 53 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2qou s GLU 54 N -2.59 1.35 0.19 -0.14 2.12 -1.26 -4.69 118.70 113.69 2qou s GLU 54 Ca 0.26 -0.93 -0.14 0.00 0.36 0.00 0.00 54.97 54.52 2qou s GLU 54 Cb 0.20 -1.46 0.19 0.00 0.26 0.00 0.00 34.13 33.32 2qou s GLU 54 CO 0.49 0.37 1.67 0.28 -0.54 0.00 0.00 175.26 177.53 2qou h VAL 55 N 4.36 0.57 0.31 3.70 2.07 -1.95 -3.14 116.25 122.17 2qou h VAL 55 Ca -0.42 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2qou h VAL 55 Cb 1.16 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2qou h VAL 55 CO 0.44 0.02 -0.15 1.55 0.02 0.00 0.00 177.57 179.45 2qou h PRO 56 N 0.08 -0.40 -0.57 1.57 0.13 -1.97 -3.34 132.00 127.50 2qou h PRO 56 Ca 0.26 0.03 0.10 0.00 -0.87 0.00 0.00 66.00 65.51 2qou h PRO 56 Cb 0.39 0.09 -0.10 0.00 0.13 0.00 0.00 31.00 31.52 2qou h PRO 56 CO -0.45 -0.14 -0.20 0.00 -0.23 0.00 0.00 178.00 176.97 2qou n ALA 57 N -2.68 -0.02 0.06 -0.56 0.00 -1.21 0.73 120.51 116.83 2qou n ALA 57 Ca -0.07 0.59 -0.11 0.00 0.00 0.00 0.00 53.44 53.85 2qou n ALA 57 Cb 0.22 -0.29 -0.04 0.00 0.00 0.00 0.00 19.45 19.34 2qou n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qou h ALA 58 N 0.88 -0.31 0.03 0.00 0.00 -1.69 0.13 119.26 118.30 2qou h ALA 58 Ca 0.22 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2qou h ALA 58 Cb 0.36 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2qou h ALA 58 CO -0.57 -0.74 -0.40 0.82 0.00 0.00 0.00 179.25 178.36 2qou h ILE 59 N -0.37 0.18 -0.40 0.00 2.04 0.19 1.03 117.51 120.18 2qou h ILE 59 Ca 0.06 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.99 2qou h ILE 59 Cb 0.45 0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 36.66 2qou h ILE 59 CO -0.21 0.00 0.04 -0.61 0.00 0.00 0.00 178.15 177.36 2qou h GLN 60 N -0.57 0.14 -0.03 2.37 5.75 -1.09 0.84 115.11 122.53 2qou h GLN 60 Ca 0.04 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.40 2qou h GLN 60 Cb 0.64 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 2qou h GLN 60 CO -0.29 0.10 -0.59 1.57 -2.65 0.00 0.00 178.83 176.96 2qou h LYS 61 N 0.15 0.10 -0.03 1.69 2.10 -0.58 -2.72 116.57 117.28 2qou h LYS 61 Ca 0.19 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.75 2qou h LYS 61 Cb 0.26 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 2qou h LYS 61 CO -0.29 0.66 -0.07 0.00 -2.00 0.00 0.00 179.45 177.76 2qou h ALA 62 N 1.32 0.05 -0.71 0.07 0.00 0.21 -3.06 119.26 117.14 2qou h ALA 62 Ca -0.01 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 54.69 2qou h ALA 62 Cb 1.07 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 2qou h ALA 62 CO 0.08 -0.11 0.34 0.52 0.00 0.00 0.00 179.25 180.09 2qou h MET 63 N -0.45 0.55 -0.75 0.00 2.86 0.66 0.10 114.93 117.91 2qou h MET 63 Ca 0.00 -0.03 0.12 0.00 -2.06 0.00 0.00 59.70 57.72 2qou h MET 63 Cb 0.66 -0.12 -0.08 0.00 0.06 0.00 0.00 31.60 32.11 2qou h MET 63 CO 0.01 0.36 0.36 1.49 1.06 0.00 0.00 176.91 180.20 2qou h GLU 64 N 0.57 0.56 0.00 1.72 4.81 -1.50 0.50 114.58 121.24 2qou h GLU 64 Ca 0.36 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 2qou h GLU 64 Cb 0.41 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2qou h GLU 64 CO -0.29 0.37 -0.09 0.87 -0.73 0.00 0.00 179.01 179.14 2qou h LYS 65 N 0.57 0.00 -0.03 1.92 1.79 -0.89 -2.78 116.57 117.15 2qou h LYS 65 Ca 0.39 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.86 2qou h LYS 65 Cb 0.49 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2qou h LYS 65 CO -0.32 0.09 0.00 0.00 -1.08 0.00 0.00 179.45 178.14 2qou h ALA 66 N 1.91 0.04 -0.96 3.86 0.00 0.70 -2.80 119.26 122.01 2qou h ALA 66 Ca -0.00 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 54.97 2qou h ALA 66 Cb 0.22 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 2qou h ALA 66 CO 0.01 -0.31 0.54 0.00 0.00 0.00 0.00 179.25 179.50 2qou h ARG 67 N -0.22 0.59 -6.82 0.00 3.08 -1.19 -3.40 114.38 106.42 2qou h ARG 67 Ca 0.01 -0.04 -0.48 0.00 0.07 0.00 0.00 59.98 59.54 2qou h ARG 67 Cb 0.30 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2qou h ARG 67 CO 0.00 0.39 0.30 1.03 -1.07 0.00 0.00 179.97 180.62 2qou s ARG 68 N -5.85 4.53 -0.81 0.04 1.81 -1.06 -4.31 118.95 113.30 2qou s ARG 68 Ca -0.11 1.25 -0.02 0.00 -1.72 0.00 0.00 55.73 55.12 2qou s ARG 68 Cb 0.25 -2.83 -0.03 0.00 -0.45 0.00 0.00 34.95 31.89 2qou s ARG 68 CO 0.79 0.31 0.74 -1.71 -0.68 0.00 0.00 175.30 174.76 2qou n ASN 69 N 0.63 -7.08 0.00 0.23 5.15 -1.26 -4.85 115.26 108.08 2qou n ASN 69 Ca 0.01 -0.30 0.00 0.00 -0.60 0.00 0.00 54.58 53.69 2qou n ASN 69 Cb 0.50 -5.04 0.00 0.00 -0.53 0.00 0.00 39.78 34.71 2qou n ASN 69 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2qou n MET 70 N -2.27 1.42 -1.59 1.20 2.81 -1.26 -4.39 117.12 113.04 2qou n MET 70 Ca -0.03 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.86 2qou n MET 70 Cb 0.54 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.06 2qou n MET 70 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 2qou n ILE 71 N 0.00 0.00 -3.13 2.02 3.06 -1.25 -4.68 119.36 115.38 2qou n ILE 71 Ca 0.00 -0.10 0.05 0.00 -2.50 0.00 0.00 62.75 60.20 2qou n ILE 71 Cb 0.00 0.12 0.00 0.00 0.54 0.00 0.00 39.64 40.30 2qou n ILE 71 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 2qou s ASN 72 N -1.31 -0.69 -0.16 9.51 3.04 -1.24 -3.33 114.94 120.77 2qou s ASN 72 Ca 0.03 0.05 -0.01 0.00 0.04 0.00 0.00 52.86 52.97 2qou s ASN 72 Cb -0.01 1.40 -0.01 0.00 -1.54 0.00 0.00 41.25 41.10 2qou s ASN 72 CO 0.01 -0.12 -0.11 -0.69 -3.04 0.00 0.00 177.10 173.14 2qou s VAL 73 N 2.87 3.05 0.04 -5.21 1.01 -1.05 -4.98 120.40 116.12 2qou s VAL 73 Ca 0.23 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 2qou s VAL 73 Cb -0.03 -2.31 -0.08 0.00 0.00 0.00 0.00 36.38 33.96 2qou s VAL 73 CO -0.23 0.50 1.70 0.00 0.00 0.00 0.00 175.10 177.07 2qou s ALA 74 N 0.72 3.66 -0.24 5.51 0.00 -1.26 -4.78 121.76 125.37 2qou s ALA 74 Ca -0.05 1.17 -0.00 0.00 0.00 0.00 0.00 51.96 53.07 2qou s ALA 74 Cb -0.15 -3.73 0.03 0.00 0.00 0.00 0.00 23.12 19.27 2qou s ALA 74 CO 0.02 -1.23 -0.09 -0.51 0.00 0.00 0.00 175.76 173.95 2qou s LEU 75 N 3.18 3.14 -0.16 0.00 1.43 -1.26 -4.53 118.68 120.48 2qou s LEU 75 Ca 0.76 -0.96 -0.29 0.00 -1.03 0.00 0.00 54.13 52.60 2qou s LEU 75 Cb -0.39 -1.62 -0.07 0.00 0.03 0.00 0.00 46.19 44.14 2qou s LEU 75 CO 0.33 -0.13 2.15 -3.20 0.23 0.00 0.00 176.35 175.73 2qou n ASN 76 N 4.61 3.42 0.00 2.29 5.15 -1.04 -4.38 115.26 125.31 2qou n ASN 76 Ca -0.16 0.41 0.00 0.00 -0.60 0.00 0.00 54.58 54.22 2qou n ASN 76 Cb 0.46 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.19 2qou n ASN 76 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2qou n ASN 77 N 10.44 0.00 -0.17 1.20 4.05 -1.26 -1.22 115.26 128.30 2qou n ASN 77 Ca 0.28 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.31 2qou n ASN 77 Cb 0.42 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.43 2qou n ASN 77 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2qou n GLY 78 N 0.00 -1.81 0.00 8.20 0.00 -1.26 -5.07 105.19 105.25 2qou n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qou n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qou n THR 79 N 0.00 0.00 -3.20 2.61 5.66 -0.36 -1.70 114.28 117.28 2qou n THR 79 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 2qou n THR 79 Cb 0.57 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.29 2qou n THR 79 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2qou s LEU 80 N 0.00 4.33 0.26 1.09 1.43 -1.26 -2.49 118.68 122.04 2qou s LEU 80 Ca 0.00 1.28 -0.03 0.00 -1.03 0.00 0.00 54.13 54.35 2qou s LEU 80 Cb 0.00 -3.48 0.39 0.00 0.03 0.00 0.00 46.19 43.12 2qou s LEU 80 CO 0.00 0.05 1.88 -0.61 0.23 0.00 0.00 176.35 177.90 2qou h GLN 81 N 3.42 1.14 -2.27 1.70 5.75 -1.88 -3.42 115.11 119.55 2qou h GLN 81 Ca -0.48 -0.07 0.12 0.00 -0.15 0.00 0.00 58.65 58.07 2qou h GLN 81 Cb 1.19 -0.26 -0.15 0.00 1.07 0.00 0.00 27.48 29.34 2qou h GLN 81 CO 0.65 0.76 0.50 -3.38 -2.65 0.00 0.00 178.83 174.71 2qou s HIS 82 N -6.05 -0.32 0.27 3.99 -3.43 -1.26 -4.97 115.29 103.52 2qou s HIS 82 Ca -0.13 0.17 -0.30 0.00 -0.80 0.00 0.00 55.06 54.01 2qou s HIS 82 Cb 0.20 0.55 -0.10 0.00 -1.43 0.00 0.00 32.58 31.79 2qou s HIS 82 CO 0.81 -0.57 1.42 -1.25 -2.00 0.00 0.00 174.74 173.15 2qou s PRO 83 N -3.12 4.27 0.41 -0.38 0.04 -1.26 -4.76 135.00 130.19 2qou s PRO 83 Ca 0.06 2.31 0.04 0.00 0.04 0.00 0.00 61.00 63.44 2qou s PRO 83 Cb -0.01 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.42 2qou s PRO 83 CO -0.08 -0.39 0.13 1.33 0.04 0.00 0.00 177.00 178.03 2qou n VAL 84 N 1.92 0.00 -3.51 -0.36 0.24 -0.61 -4.99 118.33 111.03 2qou n VAL 84 Ca 0.05 -2.33 -0.29 0.00 -2.04 0.00 0.00 64.34 59.73 2qou n VAL 84 Cb 0.40 0.80 -0.13 0.00 -1.47 0.00 0.00 33.84 33.44 2qou n VAL 84 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2qou s LYS 85 N -3.55 0.44 0.27 7.34 2.20 -1.26 -1.83 119.74 123.34 2qou s LYS 85 Ca 0.18 -1.04 -0.20 0.00 -0.36 0.00 0.00 55.97 54.55 2qou s LYS 85 Cb 0.01 -1.30 -0.09 0.00 -1.51 0.00 0.00 37.83 34.95 2qou s LYS 85 CO 0.13 -1.13 0.78 0.20 -0.36 0.00 0.00 175.35 174.96 2qou s GLY 86 N 1.45 2.59 -0.15 5.54 0.00 -1.21 -4.78 107.32 110.76 2qou s GLY 86 Ca 0.14 0.22 -0.19 0.00 0.00 0.00 0.00 44.72 44.90 2qou s GLY 86 CO -0.14 0.57 0.50 0.54 0.00 0.00 0.00 173.10 174.57 2qou s VAL 87 N -1.64 0.01 -0.18 1.40 0.11 -1.26 0.03 120.40 118.87 2qou s VAL 87 Ca 0.47 -0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 59.34 2qou s VAL 87 Cb -0.16 -0.73 0.05 0.00 -1.53 0.00 0.00 36.38 34.02 2qou s VAL 87 CO 0.20 -0.03 0.45 -2.28 -3.33 0.00 0.00 175.10 170.11 2qou s HIS 88 N -0.09 -0.59 0.00 1.54 2.46 -0.61 -4.82 115.29 113.18 2qou s HIS 88 Ca -0.03 1.32 0.00 0.00 0.47 0.00 0.00 55.06 56.82 2qou s HIS 88 Cb -0.03 0.26 0.00 0.00 -0.13 0.00 0.00 32.58 32.67 2qou s HIS 88 CO 0.02 -0.32 0.00 2.41 -2.47 0.00 0.00 174.74 174.39 2qou n THR 89 N 3.72 0.00 -1.00 0.89 -1.04 -1.26 -0.39 114.28 115.19 2qou n THR 89 Ca -0.19 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 61.91 2qou n THR 89 Cb 0.56 0.00 0.24 0.00 -1.82 0.00 0.00 70.33 69.31 2qou n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qou n GLY 90 N 0.00 4.19 3.48 3.41 0.00 -1.26 -4.96 105.19 110.05 2qou n GLY 90 Ca 0.00 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 2qou n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qou s SER 91 N -2.11 5.35 -0.16 1.61 0.15 0.48 -1.84 113.70 117.18 2qou s SER 91 Ca 0.40 -0.16 -0.06 0.00 0.70 0.00 0.00 55.95 56.83 2qou s SER 91 Cb 0.33 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.63 2qou s SER 91 CO 0.08 -0.04 0.04 -0.13 1.20 0.00 0.00 173.24 174.39 2qou s ARG 92 N 1.65 3.72 0.20 5.44 1.81 -0.39 -1.57 118.95 129.81 2qou s ARG 92 Ca 0.07 -0.36 0.06 0.00 -1.72 0.00 0.00 55.73 53.77 2qou s ARG 92 Cb -0.15 -3.10 -0.05 0.00 -0.45 0.00 0.00 34.95 31.20 2qou s ARG 92 CO 0.05 0.39 -0.09 0.08 -0.68 0.00 0.00 175.30 175.05 2qou s VAL 93 N 0.03 1.41 -0.27 3.52 1.01 0.10 0.10 120.40 126.31 2qou s VAL 93 Ca 0.05 -2.12 -0.00 0.00 0.00 0.00 0.00 61.98 59.91 2qou s VAL 93 Cb -0.12 -2.10 0.14 0.00 0.00 0.00 0.00 36.38 34.30 2qou s VAL 93 CO 0.01 -0.55 0.36 0.12 0.00 0.00 0.00 175.10 175.04 2qou s PHE 94 N -3.17 -0.76 -0.03 5.22 2.19 -1.25 -3.31 117.98 116.87 2qou s PHE 94 Ca 0.23 0.27 -0.15 0.00 0.33 0.00 0.00 56.93 57.62 2qou s PHE 94 Cb 0.02 -0.23 -0.05 0.00 -1.31 0.00 0.00 43.02 41.45 2qou s PHE 94 CO 0.06 -0.89 0.39 1.41 1.83 0.00 0.00 175.22 178.02 2qou s MET 95 N 2.48 3.95 -0.15 10.12 1.75 -0.76 -2.24 119.30 134.44 2qou s MET 95 Ca 0.10 0.36 -0.06 0.00 -1.25 0.00 0.00 55.69 54.85 2qou s MET 95 Cb -0.14 -3.25 0.07 0.00 2.84 0.00 0.00 34.83 34.35 2qou s MET 95 CO -0.27 0.62 0.32 -1.14 -0.65 0.00 0.00 175.02 173.89 2qou s GLN 96 N -0.81 0.21 0.19 4.11 0.74 -1.26 -1.57 119.66 121.26 2qou s GLN 96 Ca 0.23 0.84 -0.31 0.00 0.05 0.00 0.00 55.36 56.17 2qou s GLN 96 Cb -0.16 0.08 -0.10 0.00 1.10 0.00 0.00 33.01 33.94 2qou s GLN 96 CO 0.12 -0.27 1.50 -1.25 -0.55 0.00 0.00 175.29 174.84 2qou s PRO 97 N 2.43 4.25 0.45 1.67 0.04 -1.26 -1.05 135.00 141.52 2qou s PRO 97 Ca -0.00 2.30 0.06 0.00 0.04 0.00 0.00 61.00 63.41 2qou s PRO 97 Cb -0.12 -3.15 0.06 0.00 0.04 0.00 0.00 34.50 31.33 2qou s PRO 97 CO -0.10 -0.52 0.52 0.00 0.04 0.00 0.00 177.00 176.94 2qou n ALA 98 N 3.44 0.86 -1.75 8.56 0.00 -0.72 -4.79 120.51 126.11 2qou n ALA 98 Ca 0.11 -1.67 -0.30 0.00 0.00 0.00 0.00 53.44 51.58 2qou n ALA 98 Cb 0.40 0.54 0.05 0.00 0.00 0.00 0.00 19.45 20.44 2qou n ALA 98 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qou s SER 99 N -3.72 5.32 0.10 0.00 0.15 -1.26 -4.81 113.70 109.47 2qou s SER 99 Ca 0.40 1.29 -0.31 0.00 0.70 0.00 0.00 55.95 58.02 2qou s SER 99 Cb -0.03 -2.12 -0.09 0.00 -1.71 0.00 0.00 66.02 62.07 2qou s SER 99 CO 0.25 -1.44 1.73 -1.61 1.20 0.00 0.00 173.24 173.37 2qou s GLU 100 N -5.24 4.17 0.00 5.44 2.02 -1.26 -1.55 118.70 122.28 2qou s GLU 100 Ca 0.58 2.45 0.00 0.00 0.02 0.00 0.00 54.97 58.03 2qou s GLU 100 Cb -0.12 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.51 2qou s GLU 100 CO 0.53 -0.78 0.00 0.41 0.02 0.00 0.00 175.26 175.44 2qou n GLY 101 N 4.10 1.94 0.33 -1.39 0.00 -1.26 -4.89 105.19 104.03 2qou n GLY 101 Ca 0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.35 2qou n GLY 101 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qou h THR 102 N 0.00 0.67 0.00 2.61 2.02 -1.63 -3.48 112.91 113.10 2qou h THR 102 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2qou h THR 102 Cb 0.00 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2qou h THR 102 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2qou n GLY 103 N -1.51 -0.36 3.27 2.16 0.00 -1.25 -4.81 105.19 102.68 2qou n GLY 103 Ca 0.03 -1.81 -0.44 0.00 0.00 0.00 0.00 46.02 43.80 2qou n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qou s ILE 104 N -1.36 4.91 -0.46 -0.61 2.07 -0.51 -1.77 121.20 123.47 2qou s ILE 104 Ca 0.00 -1.96 -0.18 0.00 -1.41 0.00 0.00 60.65 57.11 2qou s ILE 104 Cb 0.00 -4.14 0.04 0.00 0.13 0.00 0.00 42.46 38.49 2qou s ILE 104 CO 0.00 -0.89 0.50 -0.63 -1.91 0.00 0.00 174.94 172.01 2qou s ILE 105 N 1.02 5.04 0.12 2.00 1.01 -0.70 -4.93 121.20 124.75 2qou s ILE 105 Ca 0.09 -0.49 -0.25 0.00 0.00 0.00 0.00 60.65 59.99 2qou s ILE 105 Cb -0.23 -4.14 0.07 0.00 0.01 0.00 0.00 42.46 38.17 2qou s ILE 105 CO -0.02 -0.57 0.79 0.00 0.00 0.00 0.00 174.94 175.14 2qou s ALA 106 N 2.23 -1.64 1.00 9.38 0.00 -1.26 -2.15 121.76 129.32 2qou s ALA 106 Ca 0.12 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2qou s ALA 106 Cb -0.19 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.60 2qou s ALA 106 CO 0.12 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.46 2qou n GLY 107 N -0.36 -2.47 0.00 0.00 0.00 -1.26 -4.45 105.19 96.64 2qou n GLY 107 Ca -0.10 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2qou n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qou n GLY 108 N 1.49 -0.88 0.42 -0.02 0.00 -1.26 -2.46 105.19 102.49 2qou n GLY 108 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 2qou n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qou h ALA 109 N -2.00 2.27 -2.05 4.61 0.00 -1.95 -2.53 119.26 117.61 2qou h ALA 109 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qou h ALA 109 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2qou h ALA 109 CO 0.00 -0.99 0.00 -1.33 0.00 0.00 0.00 179.25 176.93 2qou n MET 110 N -3.34 0.00 -0.01 0.00 2.00 -1.25 -3.61 117.12 110.91 2qou n MET 110 Ca 0.11 0.16 0.23 0.00 0.00 0.00 0.00 57.70 58.19 2qou n MET 110 Cb 0.91 -1.05 0.72 0.00 0.00 0.00 0.00 33.22 33.81 2qou n MET 110 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 2qou h ARG 111 N 0.00 0.00 -0.53 0.03 0.11 -1.22 -2.46 114.38 110.31 2qou h ARG 111 Ca 0.00 0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.18 2qou h ARG 111 Cb 0.00 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 30.97 2qou h ARG 111 CO 0.00 0.00 -0.29 0.00 0.10 0.00 0.00 179.97 179.78 2qou h ALA 112 N 1.54 0.02 -0.46 0.08 0.00 -1.52 -2.50 119.26 116.42 2qou h ALA 112 Ca 0.28 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2qou h ALA 112 Cb 1.29 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.76 2qou h ALA 112 CO -0.00 -0.63 0.00 1.33 0.00 0.00 0.00 179.25 179.94 2qou n VAL 113 N -5.43 0.00 -0.17 0.00 0.24 -0.93 -3.43 118.33 108.61 2qou n VAL 113 Ca 0.04 0.66 0.02 0.00 -2.04 0.00 0.00 64.34 63.01 2qou n VAL 113 Cb 0.34 -1.54 0.05 0.00 -1.47 0.00 0.00 33.84 31.22 2qou n VAL 113 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2qou n LEU 114 N -1.77 -0.22 0.07 1.34 4.77 -1.23 0.15 117.00 120.12 2qou n LEU 114 Ca 0.00 0.82 -0.12 0.00 -0.03 0.00 0.00 56.01 56.68 2qou n LEU 114 Cb 0.00 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 40.81 2qou n LEU 114 CO 0.00 -0.77 0.76 -0.08 -1.33 0.00 0.00 177.39 175.98 2qou h GLU 115 N 0.00 -0.27 0.00 3.23 4.22 -1.56 -0.03 114.58 120.17 2qou h GLU 115 Ca 0.21 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.66 2qou h GLU 115 Cb 0.32 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2qou h GLU 115 CO -0.48 -0.18 0.00 1.33 -2.18 0.00 0.00 179.01 177.50 2qou n VAL 116 N -5.28 0.00 1.00 0.32 0.24 0.40 -2.45 118.33 112.56 2qou n VAL 116 Ca -0.06 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.35 2qou n VAL 116 Cb 0.20 -0.56 -0.05 0.00 -1.47 0.00 0.00 33.84 31.97 2qou n VAL 116 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qou n ALA 117 N -0.94 4.07 0.00 2.33 0.00 0.23 -1.73 120.51 124.47 2qou n ALA 117 Ca 0.16 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2qou n ALA 117 Cb 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2qou n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qou n GLY 118 N 1.45 0.52 3.76 0.00 0.00 -1.03 -3.34 105.19 106.56 2qou n GLY 118 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2qou n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qou s VAL 119 N -2.00 4.25 0.00 1.61 1.01 -0.18 -4.77 120.40 120.32 2qou s VAL 119 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.89 2qou s VAL 119 Cb 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2qou s VAL 119 CO 0.00 0.50 0.00 1.41 0.00 0.00 0.00 175.10 177.01 2qou n HIS 120 N 1.66 0.00 -3.70 5.22 -0.00 -0.69 -3.89 115.22 113.81 2qou n HIS 120 Ca -0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.39 2qou n HIS 120 Cb 0.48 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.33 2qou n HIS 120 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2qou s ASN 121 N -1.87 3.85 -0.18 0.41 0.01 -1.25 -1.42 114.94 114.48 2qou s ASN 121 Ca 0.00 -1.88 -0.09 0.00 -0.71 0.00 0.00 52.86 50.18 2qou s ASN 121 Cb 0.00 -0.85 0.07 0.00 0.41 0.00 0.00 41.25 40.88 2qou s ASN 121 CO 0.00 -0.38 0.42 0.68 -1.51 0.00 0.00 177.10 176.32 2qou s VAL 122 N 1.32 -0.27 -1.13 1.60 -7.23 -0.73 -1.75 120.40 112.21 2qou s VAL 122 Ca 0.12 0.12 -0.05 0.00 -1.81 0.00 0.00 61.98 60.36 2qou s VAL 122 Cb -0.19 -0.64 0.27 0.00 0.56 0.00 0.00 36.38 36.38 2qou s VAL 122 CO -0.18 0.05 1.62 0.00 -0.31 0.00 0.00 175.10 176.28 2qou n LEU 123 N 4.72 6.59 -4.79 1.32 -0.00 -0.22 -1.73 117.00 122.89 2qou n LEU 123 Ca -0.17 -5.09 -0.36 0.00 -0.00 0.00 0.00 56.01 50.39 2qou n LEU 123 Cb 0.53 -1.31 -0.07 0.00 -0.00 0.00 0.00 43.42 42.56 2qou n LEU 123 CO 0.05 1.66 -0.21 0.00 -0.00 0.00 0.00 177.39 178.88 2qou s ALA 124 N -2.13 3.68 -0.08 1.47 0.00 -0.91 -4.30 121.76 119.48 2qou s ALA 124 Ca 0.34 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 2qou s ALA 124 Cb 0.07 -1.92 0.04 0.00 0.00 0.00 0.00 23.12 21.32 2qou s ALA 124 CO 0.07 0.47 0.10 -1.59 0.00 0.00 0.00 175.76 174.81 2qou s LYS 125 N -0.57 -0.01 0.37 0.00 0.00 -0.95 -4.01 119.74 114.56 2qou s LYS 125 Ca 0.12 0.33 0.02 0.00 0.00 0.00 0.00 55.97 56.44 2qou s LYS 125 Cb -0.12 -0.73 -0.02 0.00 0.00 0.00 0.00 37.83 36.96 2qou s LYS 125 CO 0.02 -0.41 0.55 0.00 0.00 0.00 0.00 175.35 175.52 2qou s ALA 126 N 2.20 3.86 0.06 0.59 0.00 -1.26 -3.88 121.76 123.33 2qou s ALA 126 Ca 0.04 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 50.88 2qou s ALA 126 Cb -0.13 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.01 2qou s ALA 126 CO -0.05 -0.12 0.08 2.48 0.00 0.00 0.00 175.76 178.15 2qou n TYR 127 N -1.81 -0.64 0.00 0.00 4.11 0.12 -4.97 117.16 113.97 2qou n TYR 127 Ca -0.02 -0.38 0.00 0.00 -0.00 0.00 0.00 57.90 57.49 2qou n TYR 127 Cb 0.57 0.09 0.00 0.00 -0.00 0.00 0.00 39.34 40.01 2qou n TYR 127 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2qou n GLY 128 N -0.10 1.32 3.54 -7.48 0.00 -1.26 -1.26 105.19 99.94 2qou n GLY 128 Ca 0.00 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 2qou n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qou s SER 129 N -4.00 5.15 0.00 1.61 0.15 -0.77 -4.97 113.70 110.87 2qou s SER 129 Ca 0.00 -0.06 0.25 0.00 0.70 0.00 0.00 55.95 56.83 2qou s SER 129 Cb 0.00 -1.87 0.63 0.00 -1.71 0.00 0.00 66.02 63.07 2qou s SER 129 CO 0.00 0.14 1.50 0.35 1.20 0.00 0.00 173.24 176.43 2qou n THR 130 N 3.75 0.12 -1.68 6.45 -2.24 -1.26 -4.62 114.28 114.79 2qou n THR 130 Ca -0.17 -0.42 -0.45 0.00 -2.27 0.00 0.00 64.05 60.74 2qou n THR 130 Cb 0.52 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.59 2qou n THR 130 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2qou n ASN 131 N 0.78 3.05 0.24 3.42 5.15 -1.26 -4.90 115.26 121.73 2qou n ASN 131 Ca 0.17 1.11 -0.09 0.00 -0.60 0.00 0.00 54.58 55.17 2qou n ASN 131 Cb 0.47 -1.44 -0.04 0.00 -0.53 0.00 0.00 39.78 38.23 2qou n ASN 131 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2qou h PRO 132 N 5.21 -0.58 -0.69 1.20 0.13 -2.00 -2.34 132.00 132.93 2qou h PRO 132 Ca -0.45 0.04 0.21 0.00 -0.87 0.00 0.00 66.00 64.93 2qou h PRO 132 Cb 1.26 0.13 -0.13 0.00 0.13 0.00 0.00 31.00 32.39 2qou h PRO 132 CO 0.83 -0.39 0.08 -0.89 -0.23 0.00 0.00 178.00 177.40 2qou n ILE 133 N -3.66 -0.29 0.03 -3.56 -0.00 -1.26 -1.85 119.36 108.76 2qou n ILE 133 Ca -0.07 1.50 -0.02 0.00 -0.00 0.00 0.00 62.75 64.16 2qou n ILE 133 Cb 0.24 -2.23 -0.01 0.00 -0.00 0.00 0.00 39.64 37.63 2qou n ILE 133 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 2qou h ASN 134 N 0.00 -0.11 -0.43 4.38 2.35 -1.92 -3.29 115.58 116.55 2qou h ASN 134 Ca 0.45 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.24 2qou h ASN 134 Cb 0.98 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 39.33 2qou h ASN 134 CO -0.63 0.18 -0.26 0.52 -1.65 0.00 0.00 177.43 175.60 2qou n VAL 135 N -3.82 -0.30 -0.34 2.81 0.31 -0.77 -0.79 118.33 115.43 2qou n VAL 135 Ca -0.02 1.68 -0.03 0.00 -0.01 0.00 0.00 64.34 65.97 2qou n VAL 135 Cb 0.05 -2.14 0.02 0.00 -0.91 0.00 0.00 33.84 30.87 2qou n VAL 135 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2qou h VAL 136 N 0.00 0.04 -0.50 2.52 3.04 -1.60 1.09 116.25 120.83 2qou h VAL 136 Ca 0.07 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.79 2qou h VAL 136 Cb 0.18 0.04 -0.03 0.00 -2.01 0.00 0.00 31.29 29.47 2qou h VAL 136 CO -0.41 0.00 0.33 -0.09 -1.01 0.00 0.00 177.57 176.40 2qou h ARG 137 N -0.04 0.54 -0.02 4.17 2.43 -1.03 -1.41 114.38 119.02 2qou h ARG 137 Ca 0.31 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2qou h ARG 137 Cb 0.58 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2qou h ARG 137 CO -0.92 0.36 -0.06 0.00 -1.51 0.00 0.00 179.97 177.84 2qou h ALA 138 N 1.71 0.04 -0.69 2.80 0.00 0.26 -2.68 119.26 120.69 2qou h ALA 138 Ca 0.20 -0.33 0.15 0.00 0.00 0.00 0.00 54.91 54.94 2qou h ALA 138 Cb 0.12 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.79 2qou h ALA 138 CO -0.05 -0.11 0.02 1.15 0.00 0.00 0.00 179.25 180.26 2qou h THR 139 N -0.49 0.42 -0.04 0.00 2.02 0.12 0.64 112.91 115.58 2qou h THR 139 Ca -0.00 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2qou h THR 139 Cb 0.67 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2qou h THR 139 CO 0.01 0.02 -0.08 0.40 0.37 0.00 0.00 175.52 176.25 2qou h ILE 140 N 0.13 0.78 -0.38 3.11 2.04 -1.28 -2.95 117.51 118.95 2qou h ILE 140 Ca 0.37 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.31 2qou h ILE 140 Cb 0.64 0.78 -0.09 0.00 -0.74 0.00 0.00 36.82 37.41 2qou h ILE 140 CO -0.59 0.00 -0.38 -0.78 0.00 0.00 0.00 178.15 176.40 2qou h ASP 141 N -0.12 -1.25 -0.97 1.72 1.82 -0.55 0.21 116.42 117.28 2qou h ASP 141 Ca 0.05 0.20 0.30 0.00 -0.39 0.00 0.00 57.03 57.19 2qou h ASP 141 Cb 0.18 0.56 -0.15 0.00 0.68 0.00 0.00 39.33 40.61 2qou h ASP 141 CO -0.11 -0.35 0.47 1.23 -1.61 0.00 0.00 179.24 178.86 2qou h GLY 142 N -0.30 1.87 1.00 -0.78 0.00 -1.16 0.51 103.07 104.22 2qou h GLY 142 Ca 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 2qou h GLY 142 CO -0.55 -0.47 0.35 1.41 0.00 0.00 0.00 176.54 177.28 2qou h LEU 143 N 0.28 0.84 -1.08 3.11 3.38 -0.91 -2.14 115.31 118.79 2qou h LEU 143 Ca 0.69 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.55 2qou h LEU 143 Cb 1.54 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2qou h LEU 143 CO -0.63 0.71 0.00 -0.62 0.09 0.00 0.00 178.44 177.98 2qou n GLU 144 N -4.51 0.12 -0.10 1.13 1.02 0.18 -2.69 120.64 115.79 2qou n GLU 144 Ca 0.05 0.59 -0.23 0.00 -0.02 0.00 0.00 57.16 57.55 2qou n GLU 144 Cb 0.10 -1.86 -0.12 0.00 -0.02 0.00 0.00 31.44 29.55 2qou n GLU 144 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qou n ASN 145 N -2.10 1.90 -4.51 1.62 3.02 -0.82 -4.84 115.26 109.53 2qou n ASN 145 Ca -0.01 0.38 -0.38 0.00 -0.03 0.00 0.00 54.58 54.55 2qou n ASN 145 Cb 0.05 -0.93 -0.13 0.00 -0.61 0.00 0.00 39.78 38.16 2qou n ASN 145 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 2qou n MET 146 N -4.30 0.25 -2.83 3.52 0.00 -1.09 -4.85 117.12 107.82 2qou n MET 146 Ca -0.35 -0.02 -0.41 0.00 0.00 0.00 0.00 57.70 56.91 2qou n MET 146 Cb 0.75 -1.97 -0.04 0.00 0.00 0.00 0.00 33.22 31.96 2qou n MET 146 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 2qou s ASN 147 N 9.15 7.24 1.05 3.17 -0.87 -1.26 -4.81 114.94 128.61 2qou s ASN 147 Ca 1.26 1.50 -0.14 0.00 -1.57 0.00 0.00 52.86 53.91 2qou s ASN 147 Cb -0.95 -2.51 0.14 0.00 -0.02 0.00 0.00 41.25 37.90 2qou s ASN 147 CO 0.43 -0.20 0.55 -1.54 -2.57 0.00 0.00 177.10 173.77 2qou n SER 148 N 3.80 -1.69 0.48 -1.22 3.41 -1.26 -4.81 113.62 112.34 2qou n SER 148 Ca 0.03 0.09 -0.19 0.00 -0.26 0.00 0.00 58.87 58.54 2qou n SER 148 Cb 0.51 -1.19 -0.09 0.00 -0.26 0.00 0.00 64.21 63.18 2qou n SER 148 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2qou h PRO 149 N -2.04 -1.19 -0.01 4.33 0.13 -1.96 -2.56 132.00 128.70 2qou h PRO 149 Ca -0.51 0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2qou h PRO 149 Cb 1.32 0.27 -0.00 0.00 0.13 0.00 0.00 31.00 32.72 2qou h PRO 149 CO 0.40 -0.79 0.12 1.05 -0.23 0.00 0.00 178.00 178.55 2qou h GLU 150 N -1.32 0.00 0.14 0.86 9.09 -2.00 -1.33 114.58 120.02 2qou h GLU 150 Ca -0.13 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.28 2qou h GLU 150 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.05 2qou h GLU 150 CO 0.21 0.00 -0.07 0.52 0.05 0.00 0.00 179.01 179.72 2qou h MET 151 N 0.00 -0.18 -1.00 1.06 2.86 -1.80 0.46 114.93 116.33 2qou h MET 151 Ca 0.00 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.73 2qou h MET 151 Cb 0.25 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.88 2qou h MET 151 CO -0.00 0.00 0.64 0.28 1.06 0.00 0.00 176.91 178.90 2qou h VAL 152 N -0.33 1.06 -0.35 -2.22 2.07 -1.11 0.32 116.25 115.70 2qou h VAL 152 Ca -0.02 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.11 2qou h VAL 152 Cb 0.26 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 2qou h VAL 152 CO 0.03 0.21 0.22 0.00 0.02 0.00 0.00 177.57 178.05 2qou h ALA 153 N 1.47 0.44 0.23 1.67 0.00 -1.27 -1.83 119.26 119.97 2qou h ALA 153 Ca 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 2qou h ALA 153 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qou h ALA 153 CO -0.19 -0.12 -0.11 0.00 0.00 0.00 0.00 179.25 178.83 2qou h ALA 154 N 1.14 -0.31 -0.68 0.00 0.00 0.47 -3.13 119.26 116.74 2qou h ALA 154 Ca 0.13 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.02 2qou h ALA 154 Cb -0.03 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.75 2qou h ALA 154 CO -0.04 -0.59 -0.35 -0.22 0.00 0.00 0.00 179.25 178.05 2qou h LYS 155 N -0.49 -0.12 0.00 0.00 3.64 -0.24 -3.42 116.57 115.94 2qou h LYS 155 Ca -0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2qou h LYS 155 Cb 0.37 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2qou h LYS 155 CO 0.05 -0.08 0.00 2.89 -2.27 0.00 0.00 179.45 180.04 2qou n ARG 156 N -5.44 3.05 0.00 1.90 1.85 -0.70 -4.88 116.66 112.44 2qou n ARG 156 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 2qou n ARG 156 Cb 0.37 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.78 2qou n ARG 156 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qou n GLY 157 N 5.00 0.29 3.79 2.89 0.00 -1.24 -4.87 105.19 111.05 2qou n GLY 157 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 2qou n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60