#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbd s LEU 10 N 0.00 4.10 -0.34 -1.84 1.43 -1.26 -4.22 118.68 116.55 2qbd s LEU 10 Ca 0.00 0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 53.35 2qbd s LEU 10 Cb 0.00 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 2qbd s LEU 10 CO 0.00 -0.11 0.20 -1.10 0.23 0.00 0.00 176.35 175.57 2qbd s GLN 11 N 1.64 3.33 -0.13 1.70 -0.21 0.44 -4.98 119.66 121.44 2qbd s GLN 11 Ca 0.16 -0.74 -0.02 0.00 0.02 0.00 0.00 55.36 54.77 2qbd s GLN 11 Cb -0.15 -3.71 -0.03 0.00 1.00 0.00 0.00 33.01 30.13 2qbd s GLN 11 CO 0.08 -0.48 -0.05 -1.21 -2.12 0.00 0.00 175.29 171.51 2qbd s GLU 12 N 1.66 3.44 -0.03 2.91 2.02 -1.26 -1.99 118.70 125.44 2qbd s GLU 12 Ca 0.05 -0.54 -0.01 0.00 0.02 0.00 0.00 54.97 54.49 2qbd s GLU 12 Cb -0.18 -2.81 0.03 0.00 0.10 0.00 0.00 34.13 31.27 2qbd s GLU 12 CO 0.08 0.34 0.05 0.21 0.02 0.00 0.00 175.26 175.96 2qbd s LYS 13 N 0.08 -0.04 -0.72 1.61 2.47 -1.17 -5.04 119.74 116.93 2qbd s LYS 13 Ca -0.01 0.25 -0.20 0.00 -1.56 0.00 0.00 55.97 54.45 2qbd s LYS 13 Cb -0.14 -0.30 0.10 0.00 -1.46 0.00 0.00 37.83 36.04 2qbd s LYS 13 CO 0.03 -0.21 0.92 -1.17 0.16 0.00 0.00 175.35 175.08 2qbd s LEU 14 N 1.34 5.00 0.04 5.43 1.98 -1.26 -2.26 118.68 128.95 2qbd s LEU 14 Ca -0.06 -1.50 -0.17 0.00 -2.89 0.00 0.00 54.13 49.51 2qbd s LEU 14 Cb -0.13 -2.37 -0.08 0.00 0.66 0.00 0.00 46.19 44.28 2qbd s LEU 14 CO -0.03 -1.20 1.27 0.40 -1.89 0.00 0.00 176.35 174.90 2qbd h ILE 15 N 5.86 0.00 -2.49 6.68 2.04 -1.41 -3.48 117.51 124.73 2qbd h ILE 15 Ca -0.15 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.80 2qbd h ILE 15 Cb 1.06 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.01 2qbd h ILE 15 CO 1.12 0.00 0.42 0.00 0.00 0.00 0.00 178.15 179.68 2qbd s ALA 16 N -4.52 -1.72 -0.04 1.87 0.00 -1.08 -4.98 121.76 111.29 2qbd s ALA 16 Ca -0.08 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 2qbd s ALA 16 Cb 0.02 0.58 0.03 0.00 0.00 0.00 0.00 23.12 23.75 2qbd s ALA 16 CO 0.29 -0.77 0.08 0.54 0.00 0.00 0.00 175.76 175.90 2qbd s VAL 17 N -3.32 -0.05 0.32 0.00 0.11 -1.26 -0.02 120.40 116.17 2qbd s VAL 17 Ca 0.05 0.20 0.08 0.00 -2.93 0.00 0.00 61.98 59.38 2qbd s VAL 17 Cb -0.01 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 2qbd s VAL 17 CO -0.08 0.08 0.12 0.20 -3.33 0.00 0.00 175.10 172.10 2qbd s ASN 18 N 1.09 4.74 0.00 3.54 -0.87 0.05 -4.95 114.94 118.55 2qbd s ASN 18 Ca -0.09 -0.70 0.00 0.00 -1.57 0.00 0.00 52.86 50.50 2qbd s ASN 18 Cb -0.12 -0.81 0.00 0.00 -0.02 0.00 0.00 41.25 40.30 2qbd s ASN 18 CO -0.04 -0.22 0.00 -1.14 -2.57 0.00 0.00 177.10 173.12 2qbd n ARG 19 N -1.11 0.00 -0.47 -0.60 0.63 -1.26 -1.28 116.66 112.57 2qbd n ARG 19 Ca -0.04 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 2qbd n ARG 19 Cb 0.60 -0.92 0.00 0.00 0.45 0.00 0.00 32.46 32.59 2qbd n ARG 19 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2qbd n VAL 20 N -1.94 -1.54 -4.10 5.15 0.31 -1.26 -2.36 118.33 112.60 2qbd n VAL 20 Ca 0.00 0.57 -0.11 0.00 -0.01 0.00 0.00 64.34 64.80 2qbd n VAL 20 Cb 0.00 -0.85 -0.08 0.00 -0.91 0.00 0.00 33.84 32.00 2qbd n VAL 20 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2qbd s SER 21 N -3.11 0.05 -0.23 4.52 0.15 -1.26 -2.50 113.70 111.31 2qbd s SER 21 Ca 0.00 -1.17 -0.03 0.00 0.70 0.00 0.00 55.95 55.45 2qbd s SER 21 Cb 0.00 0.47 0.12 0.00 -1.71 0.00 0.00 66.02 64.89 2qbd s SER 21 CO 0.00 -0.97 0.30 -0.75 1.20 0.00 0.00 173.24 173.02 2qbd s LYS 22 N -4.09 0.27 0.23 5.44 2.20 -0.28 -4.94 119.74 118.58 2qbd s LYS 22 Ca 0.31 0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.91 2qbd s LYS 22 Cb 0.04 -0.84 -0.09 0.00 -1.51 0.00 0.00 37.83 35.43 2qbd s LYS 22 CO 0.10 -0.70 1.02 -0.08 -0.36 0.00 0.00 175.35 175.32 2qbd s THR 23 N 2.42 3.88 0.32 3.43 -1.32 -1.26 0.23 115.64 123.35 2qbd s THR 23 Ca 0.10 1.83 0.05 0.00 -1.21 0.00 0.00 61.69 62.45 2qbd s THR 23 Cb -0.15 -4.16 -0.03 0.00 -1.51 0.00 0.00 72.50 66.64 2qbd s THR 23 CO -0.16 0.41 0.23 0.68 -2.21 0.00 0.00 174.62 173.56 2qbd s VAL 24 N -0.95 0.12 0.31 5.08 -7.23 0.45 -4.91 120.40 113.27 2qbd s VAL 24 Ca 0.44 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 2qbd s VAL 24 Cb -0.28 -2.48 0.36 0.00 0.56 0.00 0.00 36.38 34.54 2qbd s VAL 24 CO 0.35 0.00 1.60 0.07 -0.31 0.00 0.00 175.10 176.82 2qbd h LYS 25 N 2.15 0.08 0.24 4.82 2.10 -2.02 -0.96 116.57 122.99 2qbd h LYS 25 Ca -0.29 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.35 2qbd h LYS 25 Cb 1.24 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2qbd h LYS 25 CO 0.43 0.06 -0.12 0.78 -2.00 0.00 0.00 179.45 178.60 2qbd h GLY 26 N 0.09 -0.34 0.00 0.07 0.00 -2.00 -3.49 103.07 97.39 2qbd h GLY 26 Ca 0.60 0.13 0.00 0.00 0.00 0.00 0.00 47.33 48.06 2qbd h GLY 26 CO -0.79 -0.12 0.00 0.61 0.00 0.00 0.00 176.54 176.23 2qbd n GLY 27 N -0.37 -0.73 3.87 4.60 0.00 -0.36 -5.14 105.19 107.05 2qbd n GLY 27 Ca -0.09 0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2qbd n GLY 27 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbd s ARG 28 N -0.08 3.35 -0.37 1.61 1.70 -1.26 0.17 118.95 124.07 2qbd s ARG 28 Ca 0.00 -0.31 -0.03 0.00 -0.47 0.00 0.00 55.73 54.92 2qbd s ARG 28 Cb 0.00 -3.07 0.08 0.00 -0.57 0.00 0.00 34.95 31.40 2qbd s ARG 28 CO 0.00 0.70 0.14 0.42 -1.08 0.00 0.00 175.30 175.47 2qbd s ILE 29 N -1.21 3.31 1.16 4.99 1.01 0.14 -4.90 121.20 125.69 2qbd s ILE 29 Ca 0.23 -1.72 -0.13 0.00 0.00 0.00 0.00 60.65 59.03 2qbd s ILE 29 Cb -0.12 -3.11 0.28 0.00 0.01 0.00 0.00 42.46 39.52 2qbd s ILE 29 CO 0.14 -0.46 1.03 0.72 0.00 0.00 0.00 174.94 176.37 2qbd s PHE 30 N 1.22 1.36 -0.02 3.97 -0.12 -1.26 -1.13 117.98 122.00 2qbd s PHE 30 Ca 0.03 1.19 -0.25 0.00 -0.05 0.00 0.00 56.93 57.84 2qbd s PHE 30 Cb -0.22 -3.11 0.08 0.00 -0.63 0.00 0.00 43.02 39.15 2qbd s PHE 30 CO -0.02 -3.86 1.14 0.45 -0.05 0.00 0.00 175.22 172.88 2qbd n SER 31 N -4.91 -1.07 -3.71 1.98 2.88 -1.04 -4.82 113.62 102.93 2qbd n SER 31 Ca 0.03 -1.22 -0.14 0.00 -1.33 0.00 0.00 58.87 56.21 2qbd n SER 31 Cb 0.54 1.65 -0.08 0.00 -0.75 0.00 0.00 64.21 65.57 2qbd n SER 31 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2qbd s PHE 32 N -2.14 -0.31 -0.04 0.66 0.08 -0.94 -4.15 117.98 111.14 2qbd s PHE 32 Ca 0.27 0.56 -0.01 0.00 0.12 0.00 0.00 56.93 57.87 2qbd s PHE 32 Cb -0.01 0.16 0.03 0.00 -0.57 0.00 0.00 43.02 42.64 2qbd s PHE 32 CO -0.01 -0.40 0.02 0.95 -0.10 0.00 0.00 175.22 175.68 2qbd s THR 33 N -1.06 0.12 -0.11 0.64 -4.23 -0.40 -1.97 115.64 108.63 2qbd s THR 33 Ca -0.11 0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 2qbd s THR 33 Cb -0.04 -0.27 -0.00 0.00 1.34 0.00 0.00 72.50 73.53 2qbd s THR 33 CO 0.05 0.17 -0.22 0.00 -0.54 0.00 0.00 174.62 174.08 2qbd s ALA 34 N 1.52 2.24 -0.23 3.99 0.00 -0.75 -0.77 121.76 127.77 2qbd s ALA 34 Ca -0.03 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.87 2qbd s ALA 34 Cb -0.13 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 2qbd s ALA 34 CO -0.03 0.25 0.11 -1.17 0.00 0.00 0.00 175.76 174.92 2qbd s LEU 35 N 0.40 3.85 0.19 0.00 2.96 0.96 -3.00 118.68 124.05 2qbd s LEU 35 Ca -0.16 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 2qbd s LEU 35 Cb -0.17 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 2qbd s LEU 35 CO 0.07 0.06 0.08 0.42 -1.32 0.00 0.00 176.35 175.66 2qbd s THR 36 N 1.09 0.28 0.16 3.68 -4.23 -0.36 -0.96 115.64 115.30 2qbd s THR 36 Ca 0.06 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 2qbd s THR 36 Cb -0.14 -2.37 -0.05 0.00 1.34 0.00 0.00 72.50 71.29 2qbd s THR 36 CO 0.04 -0.19 -0.03 0.68 -0.54 0.00 0.00 174.62 174.59 2qbd s VAL 37 N -3.95 0.80 -0.07 2.29 -7.23 -0.96 0.10 120.40 111.39 2qbd s VAL 37 Ca 0.33 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 2qbd s VAL 37 Cb 0.07 -2.03 0.04 0.00 0.56 0.00 0.00 36.38 35.02 2qbd s VAL 37 CO 0.09 -0.56 0.13 -0.69 -0.31 0.00 0.00 175.10 173.75 2qbd s VAL 38 N -3.57 -0.20 0.03 1.32 1.01 0.13 -3.06 120.40 116.06 2qbd s VAL 38 Ca 0.21 0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.63 2qbd s VAL 38 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 2qbd s VAL 38 CO 0.03 0.16 -0.19 -0.83 0.00 0.00 0.00 175.10 174.26 2qbd s GLY 39 N 2.19 1.01 0.00 4.51 0.00 -0.84 0.16 107.32 114.34 2qbd s GLY 39 Ca 0.03 -0.96 0.08 0.00 0.00 0.00 0.00 44.72 43.87 2qbd s GLY 39 CO -0.05 -0.89 1.24 2.09 0.00 0.00 0.00 173.10 175.49 2qbd n ASP 40 N 1.99 0.89 0.00 1.64 5.75 -0.30 -0.42 116.55 126.10 2qbd n ASP 40 Ca -0.17 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 2qbd n ASP 40 Cb 0.54 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 2qbd n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qbd n GLY 41 N 0.81 2.46 0.00 6.12 0.00 -0.59 -4.80 105.19 109.20 2qbd n GLY 41 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2qbd n GLY 41 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qbd n ASN 42 N 0.00 0.00 -0.42 1.61 2.85 -1.26 -3.97 115.26 114.07 2qbd n ASN 42 Ca 0.00 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.49 2qbd n ASN 42 Cb 0.00 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.04 2qbd n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qbd n GLY 43 N 3.22 1.20 3.13 8.20 0.00 -1.22 -4.04 105.19 115.67 2qbd n GLY 43 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2qbd n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbd s ARG 44 N -0.49 2.34 0.30 1.61 0.52 -1.25 0.10 118.95 122.07 2qbd s ARG 44 Ca 0.05 -0.65 0.06 0.00 -0.52 0.00 0.00 55.73 54.67 2qbd s ARG 44 Cb 0.05 -1.84 -0.06 0.00 0.52 0.00 0.00 34.95 33.62 2qbd s ARG 44 CO 0.01 0.12 -0.01 0.08 0.02 0.00 0.00 175.30 175.51 2qbd s VAL 45 N 0.46 1.48 -0.30 3.52 1.01 -0.88 -1.14 120.40 124.54 2qbd s VAL 45 Ca -0.16 -2.07 -0.15 0.00 0.00 0.00 0.00 61.98 59.60 2qbd s VAL 45 Cb -0.17 -2.59 0.18 0.00 0.00 0.00 0.00 36.38 33.81 2qbd s VAL 45 CO 0.06 -0.19 1.15 -0.83 0.00 0.00 0.00 175.10 175.29 2qbd s GLY 46 N -3.46 -0.53 0.39 4.51 0.00 0.12 0.27 107.32 108.62 2qbd s GLY 46 Ca 0.32 2.65 -0.18 0.00 0.00 0.00 0.00 44.72 47.51 2qbd s GLY 46 CO 0.13 4.06 0.85 -0.11 0.00 0.00 0.00 173.10 178.04 2qbd s PHE 47 N 2.98 3.35 0.01 1.90 -0.71 -1.26 0.20 117.98 124.45 2qbd s PHE 47 Ca 0.13 1.41 0.03 0.00 -1.04 0.00 0.00 56.93 57.46 2qbd s PHE 47 Cb -0.04 -2.70 -0.01 0.00 -1.21 0.00 0.00 43.02 39.06 2qbd s PHE 47 CO -0.16 -0.04 -0.09 0.20 -1.34 0.00 0.00 175.22 173.79 2qbd s GLY 48 N -2.31 0.49 -0.10 1.99 0.00 0.29 -4.28 107.32 103.38 2qbd s GLY 48 Ca 0.58 -0.53 -0.01 0.00 0.00 0.00 0.00 44.72 44.77 2qbd s GLY 48 CO 0.17 -0.50 -0.04 -0.47 0.00 0.00 0.00 173.10 172.26 2qbd s TYR 49 N -0.58 1.18 0.03 1.90 5.04 -1.25 -1.23 117.35 122.44 2qbd s TYR 49 Ca -0.00 -0.56 -0.00 0.00 -2.44 0.00 0.00 57.07 54.07 2qbd s TYR 49 Cb -0.05 -1.07 -0.03 0.00 0.35 0.00 0.00 41.96 41.16 2qbd s TYR 49 CO 0.00 -0.46 -0.03 0.20 -1.34 0.00 0.00 175.55 173.92 2qbd s GLY 50 N 1.81 0.36 0.05 8.97 0.00 -1.16 -4.82 107.32 112.53 2qbd s GLY 50 Ca 0.04 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 43.96 2qbd s GLY 50 CO -0.07 -0.93 -0.12 -1.59 0.00 0.00 0.00 173.10 170.39 2qbd s LYS 51 N -2.39 0.75 0.15 2.90 -2.85 -1.26 -1.81 119.74 115.23 2qbd s LYS 51 Ca -0.07 -0.84 -0.21 0.00 -1.00 0.00 0.00 55.97 53.86 2qbd s LYS 51 Cb -0.03 -0.70 0.06 0.00 -2.06 0.00 0.00 37.83 35.09 2qbd s LYS 51 CO -0.04 0.16 0.53 0.00 0.10 0.00 0.00 175.35 176.10 2qbd s ALA 52 N -1.17 -1.36 0.08 0.59 0.00 -0.83 -4.73 121.76 114.34 2qbd s ALA 52 Ca -0.03 0.29 0.30 0.00 0.00 0.00 0.00 51.96 52.52 2qbd s ALA 52 Cb -0.09 0.82 1.59 0.00 0.00 0.00 0.00 23.12 25.44 2qbd s ALA 52 CO 0.02 -0.73 1.92 -0.09 0.00 0.00 0.00 175.76 176.88 2qbd h ARG 53 N 2.13 0.00 -6.50 0.00 2.43 -1.91 -2.50 114.38 108.03 2qbd h ARG 53 Ca -0.34 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.15 2qbd h ARG 53 Cb 1.29 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.63 2qbd h ARG 53 CO 0.41 0.00 -0.78 -1.21 -1.51 0.00 0.00 179.97 176.88 2qbd s GLU 54 N -3.73 2.19 0.18 0.20 2.02 -1.26 -4.72 118.70 113.57 2qbd s GLU 54 Ca -0.02 -0.92 -0.13 0.00 0.02 0.00 0.00 54.97 53.91 2qbd s GLU 54 Cb 0.09 -2.27 0.11 0.00 0.10 0.00 0.00 34.13 32.17 2qbd s GLU 54 CO 0.30 0.55 1.80 0.28 0.02 0.00 0.00 175.26 178.22 2qbd h VAL 55 N 3.90 1.00 0.11 2.63 2.07 -1.94 -2.74 116.25 121.27 2qbd h VAL 55 Ca -0.48 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 2qbd h VAL 55 Cb 1.16 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2qbd h VAL 55 CO 0.49 0.10 -0.05 1.55 0.02 0.00 0.00 177.57 179.68 2qbd h PRO 56 N 0.54 -0.14 -0.96 1.57 0.13 -1.96 -3.21 132.00 127.97 2qbd h PRO 56 Ca 0.21 0.01 0.27 0.00 -0.87 0.00 0.00 66.00 65.62 2qbd h PRO 56 Cb 0.08 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 31.10 2qbd h PRO 56 CO -0.12 0.31 0.47 0.00 -0.23 0.00 0.00 178.00 178.43 2qbd h ALA 57 N 0.08 1.69 -0.23 -0.56 0.00 -1.93 0.88 119.26 119.19 2qbd h ALA 57 Ca -0.02 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2qbd h ALA 57 Cb 0.52 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2qbd h ALA 57 CO 0.03 -0.45 0.11 0.00 0.00 0.00 0.00 179.25 178.94 2qbd h ALA 58 N 1.79 0.29 0.12 0.00 0.00 -1.54 -2.40 119.26 117.51 2qbd h ALA 58 Ca 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2qbd h ALA 58 Cb 1.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2qbd h ALA 58 CO -0.58 -0.15 -0.10 0.82 0.00 0.00 0.00 179.25 179.24 2qbd h ILE 59 N 0.24 0.78 -0.68 0.00 2.04 -0.86 0.63 117.51 119.66 2qbd h ILE 59 Ca 0.08 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.03 2qbd h ILE 59 Cb 0.11 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 2qbd h ILE 59 CO -0.01 0.00 0.33 -0.61 0.00 0.00 0.00 178.15 177.86 2qbd h GLN 60 N -0.23 0.56 0.00 2.37 5.75 -1.27 0.30 115.11 122.58 2qbd h GLN 60 Ca 0.00 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 2qbd h GLN 60 Cb 0.21 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 2qbd h GLN 60 CO -0.02 0.37 -0.31 1.57 -2.65 0.00 0.00 178.83 177.79 2qbd h LYS 61 N 0.57 0.00 -0.13 1.69 2.10 -1.26 -2.76 116.57 116.79 2qbd h LYS 61 Ca 0.33 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.77 2qbd h LYS 61 Cb 0.34 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.67 2qbd h LYS 61 CO -0.26 0.31 -0.77 0.00 -2.00 0.00 0.00 179.45 176.73 2qbd h ALA 62 N 1.69 0.40 -0.39 0.07 0.00 0.54 -2.79 119.26 118.78 2qbd h ALA 62 Ca -0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 54.91 54.18 2qbd h ALA 62 Cb 1.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2qbd h ALA 62 CO 0.04 0.71 -0.23 0.52 0.00 0.00 0.00 179.25 180.29 2qbd h MET 63 N 0.45 0.78 0.03 0.00 2.86 -0.94 -2.11 114.93 116.00 2qbd h MET 63 Ca -0.05 -0.32 0.03 0.00 -2.06 0.00 0.00 59.70 57.30 2qbd h MET 63 Cb 1.38 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.97 2qbd h MET 63 CO 0.15 0.93 -0.22 1.49 1.06 0.00 0.00 176.91 180.32 2qbd h GLU 64 N 0.68 -0.35 -0.89 1.72 4.57 -1.43 -1.32 114.58 117.56 2qbd h GLU 64 Ca 0.09 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.35 2qbd h GLU 64 Cb 0.74 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.35 2qbd h GLU 64 CO 0.06 -0.23 0.57 0.87 -1.18 0.00 0.00 179.01 179.09 2qbd h LYS 65 N -0.36 1.02 -0.12 1.92 1.57 -1.36 -2.18 116.57 117.05 2qbd h LYS 65 Ca 0.05 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2qbd h LYS 65 Cb 0.43 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2qbd h LYS 65 CO -0.18 0.68 -0.04 0.00 -0.57 0.00 0.00 179.45 179.33 2qbd h ALA 66 N 1.40 0.06 -0.61 3.86 0.00 -0.68 -2.17 119.26 121.12 2qbd h ALA 66 Ca 0.38 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.39 2qbd h ALA 66 Cb 0.11 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2qbd h ALA 66 CO -0.15 -0.50 0.33 0.00 0.00 0.00 0.00 179.25 178.93 2qbd h ARG 67 N -0.02 0.61 -6.25 0.00 3.08 -0.89 -3.40 114.38 107.51 2qbd h ARG 67 Ca 0.06 -0.04 -0.56 0.00 0.07 0.00 0.00 59.98 59.52 2qbd h ARG 67 Cb 0.12 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2qbd h ARG 67 CO -0.14 0.40 1.20 1.03 -1.07 0.00 0.00 179.97 181.39 2qbd s ARG 68 N -6.11 3.83 -0.11 0.04 1.81 -0.82 -4.27 118.95 113.33 2qbd s ARG 68 Ca -0.13 2.01 -0.07 0.00 -1.72 0.00 0.00 55.73 55.81 2qbd s ARG 68 Cb 0.15 -4.11 0.03 0.00 -0.45 0.00 0.00 34.95 30.57 2qbd s ARG 68 CO 0.75 -1.28 0.15 0.09 -0.68 0.00 0.00 175.30 174.33 2qbd n ASN 69 N 8.56 -2.14 -0.71 0.23 4.13 -1.26 -4.89 115.26 119.18 2qbd n ASN 69 Ca 0.20 1.08 0.00 0.00 1.68 0.00 0.00 54.58 57.54 2qbd n ASN 69 Cb 0.44 -4.15 0.00 0.00 -1.54 0.00 0.00 39.78 34.53 2qbd n ASN 69 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2qbd n MET 70 N 1.28 3.15 -4.50 3.52 2.81 -1.26 -4.85 117.12 117.27 2qbd n MET 70 Ca -0.25 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.41 2qbd n MET 70 Cb 0.39 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.76 2qbd n MET 70 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 2qbd s ILE 71 N 0.49 1.33 -0.63 2.02 2.07 0.14 -4.97 121.20 121.65 2qbd s ILE 71 Ca 0.00 -1.03 -0.05 0.00 -1.41 0.00 0.00 60.65 58.16 2qbd s ILE 71 Cb 0.00 -1.17 0.16 0.00 0.13 0.00 0.00 42.46 41.58 2qbd s ILE 71 CO 0.00 0.12 0.46 0.20 -1.91 0.00 0.00 174.94 173.81 2qbd s ASN 72 N -1.06 5.47 0.34 4.50 -0.87 -1.26 -2.08 114.94 119.98 2qbd s ASN 72 Ca 0.04 -2.72 -0.25 0.00 -1.57 0.00 0.00 52.86 48.36 2qbd s ASN 72 Cb -0.08 -1.91 -0.10 0.00 -0.02 0.00 0.00 41.25 39.14 2qbd s ASN 72 CO 0.01 -0.43 0.94 -0.69 -2.57 0.00 0.00 177.10 174.36 2qbd s VAL 73 N 0.14 4.25 -0.03 1.60 1.01 0.11 -4.93 120.40 122.55 2qbd s VAL 73 Ca 0.16 1.75 -0.01 0.00 0.00 0.00 0.00 61.98 63.88 2qbd s VAL 73 Cb -0.19 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2qbd s VAL 73 CO -0.04 0.06 2.33 0.00 0.00 0.00 0.00 175.10 177.46 2qbd n ALA 74 N 0.36 4.58 -1.41 5.51 0.00 -1.26 -4.74 120.51 123.55 2qbd n ALA 74 Ca 0.03 -0.52 -0.51 0.00 0.00 0.00 0.00 53.44 52.44 2qbd n ALA 74 Cb 0.51 -1.30 -0.09 0.00 0.00 0.00 0.00 19.45 18.56 2qbd n ALA 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qbd n LEU 75 N 1.61 1.54 -4.61 0.00 0.00 -1.26 -4.66 117.00 109.62 2qbd n LEU 75 Ca 0.11 0.38 -0.43 0.00 0.00 0.00 0.00 56.01 56.07 2qbd n LEU 75 Cb 0.59 -1.15 -0.02 0.00 0.00 0.00 0.00 43.42 42.84 2qbd n LEU 75 CO 0.05 -0.81 1.05 0.21 0.00 0.00 0.00 177.39 177.90 2qbd s ASN 76 N 7.58 6.64 1.50 1.96 2.47 -1.01 -4.78 114.94 129.29 2qbd s ASN 76 Ca 1.15 0.61 0.00 0.00 0.42 0.00 0.00 52.86 55.04 2qbd s ASN 76 Cb -1.02 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 36.23 2qbd s ASN 76 CO 0.52 -1.22 0.00 -3.20 -3.72 0.00 0.00 177.10 169.48 2qbd n ASN 77 N 7.82 0.00 0.00 -4.21 2.85 -1.26 -1.52 115.26 118.94 2qbd n ASN 77 Ca 0.13 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 2qbd n ASN 77 Cb 0.49 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.51 2qbd n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qbd n GLY 78 N 0.00 -0.52 2.73 8.20 0.00 -1.26 -4.94 105.19 109.40 2qbd n GLY 78 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2qbd n GLY 78 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qbd n THR 79 N -0.15 0.00 -1.77 2.61 5.66 -0.58 0.27 114.28 120.33 2qbd n THR 79 Ca 0.00 -1.81 -0.30 0.00 -3.05 0.00 0.00 64.05 58.88 2qbd n THR 79 Cb 0.05 0.39 0.06 0.00 -1.55 0.00 0.00 70.33 69.28 2qbd n THR 79 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2qbd s LEU 80 N 0.00 2.82 0.08 1.09 1.43 -1.26 -2.41 118.68 120.42 2qbd s LEU 80 Ca 0.02 1.21 -0.14 0.00 -1.03 0.00 0.00 54.13 54.19 2qbd s LEU 80 Cb 0.00 -3.95 -0.23 0.00 0.03 0.00 0.00 46.19 42.04 2qbd s LEU 80 CO 0.01 -1.54 1.19 -0.61 0.23 0.00 0.00 176.35 175.64 2qbd h GLN 81 N -0.79 0.70 -2.80 1.70 5.75 -1.87 -3.43 115.11 114.37 2qbd h GLN 81 Ca -0.46 -0.75 0.04 0.00 -0.15 0.00 0.00 58.65 57.33 2qbd h GLN 81 Cb 1.26 0.21 -0.11 0.00 1.07 0.00 0.00 27.48 29.91 2qbd h GLN 81 CO 0.62 1.33 0.29 -3.38 -2.65 0.00 0.00 178.83 175.04 2qbd s HIS 82 N -3.32 -0.42 -0.38 3.99 -3.43 -1.26 -4.97 115.29 105.51 2qbd s HIS 82 Ca -0.10 0.18 -0.27 0.00 -0.80 0.00 0.00 55.06 54.07 2qbd s HIS 82 Cb 0.07 0.58 -0.04 0.00 -1.43 0.00 0.00 32.58 31.76 2qbd s HIS 82 CO 0.92 -0.84 2.13 -1.25 -2.00 0.00 0.00 174.74 173.70 2qbd s PRO 83 N -3.61 2.81 0.46 -0.38 0.04 -1.26 -4.62 135.00 128.45 2qbd s PRO 83 Ca 0.04 1.52 0.08 0.00 0.04 0.00 0.00 61.00 62.68 2qbd s PRO 83 Cb -0.02 -4.40 0.03 0.00 0.04 0.00 0.00 34.50 30.15 2qbd s PRO 83 CO -0.08 -2.47 0.59 0.14 0.04 0.00 0.00 177.00 175.22 2qbd s VAL 84 N 9.22 2.69 -0.39 -0.36 -7.23 -0.42 -4.93 120.40 118.98 2qbd s VAL 84 Ca 0.90 -1.07 0.03 0.00 -1.81 0.00 0.00 61.98 60.04 2qbd s VAL 84 Cb -0.23 -2.76 0.16 0.00 0.56 0.00 0.00 36.38 34.11 2qbd s VAL 84 CO 0.30 0.00 0.35 -0.75 -0.31 0.00 0.00 175.10 174.69 2qbd s LYS 85 N -4.40 0.75 0.89 4.82 2.20 -1.26 -0.79 119.74 121.96 2qbd s LYS 85 Ca 0.55 -1.46 -0.13 0.00 -0.36 0.00 0.00 55.97 54.57 2qbd s LYS 85 Cb -0.08 -1.07 0.13 0.00 -1.51 0.00 0.00 37.83 35.31 2qbd s LYS 85 CO 0.33 -1.28 1.18 0.20 -0.36 0.00 0.00 175.35 175.42 2qbd s GLY 86 N 0.78 1.61 -0.21 5.54 0.00 0.06 -4.86 107.32 110.24 2qbd s GLY 86 Ca 0.24 -0.69 -0.31 0.00 0.00 0.00 0.00 44.72 43.97 2qbd s GLY 86 CO -0.08 -0.11 1.18 0.54 0.00 0.00 0.00 173.10 174.63 2qbd s VAL 87 N -3.47 0.00 -0.28 1.40 0.11 -1.25 -1.10 120.40 115.81 2qbd s VAL 87 Ca 0.65 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.50 2qbd s VAL 87 Cb -0.12 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.85 2qbd s VAL 87 CO 0.52 0.00 0.91 -2.28 -3.33 0.00 0.00 175.10 170.92 2qbd s HIS 88 N -1.37 -0.66 0.00 1.54 2.46 -0.70 -4.75 115.29 111.81 2qbd s HIS 88 Ca 0.05 1.41 0.00 0.00 0.47 0.00 0.00 55.06 56.99 2qbd s HIS 88 Cb -0.01 0.40 0.00 0.00 -0.13 0.00 0.00 32.58 32.84 2qbd s HIS 88 CO -0.04 -0.32 0.00 2.41 -2.47 0.00 0.00 174.74 174.32 2qbd n THR 89 N 3.30 0.00 -1.00 0.89 -1.04 -1.26 -1.59 114.28 113.57 2qbd n THR 89 Ca -0.17 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.92 2qbd n THR 89 Cb 0.57 0.00 0.28 0.00 -1.82 0.00 0.00 70.33 69.36 2qbd n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qbd n GLY 90 N 0.00 3.90 3.30 3.41 0.00 -1.26 -4.92 105.19 109.62 2qbd n GLY 90 Ca 0.00 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 2qbd n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qbd s SER 91 N -1.75 5.20 -0.26 1.61 0.15 -0.62 -0.45 113.70 117.57 2qbd s SER 91 Ca 0.45 -0.95 -0.08 0.00 0.70 0.00 0.00 55.95 56.07 2qbd s SER 91 Cb 0.36 -1.87 -0.03 0.00 -1.71 0.00 0.00 66.02 62.78 2qbd s SER 91 CO 0.10 -0.26 0.09 -0.13 1.20 0.00 0.00 173.24 174.24 2qbd s ARG 92 N 1.44 3.62 -0.07 5.44 0.52 -0.87 -1.73 118.95 127.30 2qbd s ARG 92 Ca 0.00 -0.51 0.05 0.00 -0.52 0.00 0.00 55.73 54.76 2qbd s ARG 92 Cb -0.18 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 31.88 2qbd s ARG 92 CO 0.02 -0.23 -0.25 0.08 0.02 0.00 0.00 175.30 174.95 2qbd s VAL 93 N 1.63 2.05 -0.22 3.52 1.01 -0.26 -1.72 120.40 126.41 2qbd s VAL 93 Ca 0.06 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 2qbd s VAL 93 Cb -0.16 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.50 2qbd s VAL 93 CO 0.05 0.57 -0.11 0.12 0.00 0.00 0.00 175.10 175.73 2qbd s PHE 94 N -0.02 2.97 0.10 5.22 2.19 -0.69 -0.76 117.98 127.00 2qbd s PHE 94 Ca -0.08 -1.54 0.04 0.00 0.33 0.00 0.00 56.93 55.68 2qbd s PHE 94 Cb -0.15 -2.01 -0.04 0.00 -1.31 0.00 0.00 43.02 39.51 2qbd s PHE 94 CO 0.05 -0.74 0.05 1.41 1.83 0.00 0.00 175.22 177.83 2qbd s MET 95 N 1.32 2.72 -0.19 10.12 1.75 0.03 -1.48 119.30 133.57 2qbd s MET 95 Ca 0.02 -0.80 -0.12 0.00 -1.25 0.00 0.00 55.69 53.55 2qbd s MET 95 Cb -0.15 -2.62 0.06 0.00 2.84 0.00 0.00 34.83 34.96 2qbd s MET 95 CO -0.07 0.54 0.46 -1.14 -0.65 0.00 0.00 175.02 174.16 2qbd s GLN 96 N -2.48 0.47 0.20 4.11 0.74 -1.26 -1.29 119.66 120.14 2qbd s GLN 96 Ca 0.28 0.82 -0.31 0.00 0.05 0.00 0.00 55.36 56.20 2qbd s GLN 96 Cb -0.12 0.06 -0.10 0.00 1.10 0.00 0.00 33.01 33.95 2qbd s GLN 96 CO 0.20 -0.14 1.50 -1.25 -0.55 0.00 0.00 175.29 175.06 2qbd s PRO 97 N 1.20 4.24 0.56 1.67 0.04 -1.26 -2.35 135.00 139.10 2qbd s PRO 97 Ca -0.08 2.32 0.06 0.00 0.04 0.00 0.00 61.00 63.34 2qbd s PRO 97 Cb -0.07 -3.14 0.06 0.00 0.04 0.00 0.00 34.50 31.39 2qbd s PRO 97 CO -0.11 -0.52 0.50 0.00 0.04 0.00 0.00 177.00 176.92 2qbd s ALA 98 N 0.65 4.54 0.78 8.56 0.00 -1.13 -4.85 121.76 130.30 2qbd s ALA 98 Ca 0.65 -1.42 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 2qbd s ALA 98 Cb -0.42 -0.89 0.10 0.00 0.00 0.00 0.00 23.12 21.90 2qbd s ALA 98 CO 0.36 -0.57 1.10 0.45 0.00 0.00 0.00 175.76 177.11 2qbd s SER 99 N -4.39 4.39 0.42 0.00 0.15 -1.26 -4.83 113.70 108.17 2qbd s SER 99 Ca 0.40 0.40 -0.26 0.00 0.70 0.00 0.00 55.95 57.19 2qbd s SER 99 Cb -0.03 -0.88 -0.08 0.00 -1.71 0.00 0.00 66.02 63.32 2qbd s SER 99 CO 0.25 -1.90 1.30 -1.61 1.20 0.00 0.00 173.24 172.48 2qbd s GLU 100 N -5.42 3.92 0.00 5.44 2.02 -1.26 -2.33 118.70 121.07 2qbd s GLU 100 Ca 0.64 2.13 0.00 0.00 0.02 0.00 0.00 54.97 57.76 2qbd s GLU 100 Cb -0.09 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.43 2qbd s GLU 100 CO 0.47 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.63 2qbd n GLY 101 N 0.65 2.46 0.37 -1.39 0.00 -1.26 -4.79 105.19 101.23 2qbd n GLY 101 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.25 2qbd n GLY 101 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qbd h THR 102 N 0.00 0.26 0.00 2.61 2.02 -1.82 -3.47 112.91 112.50 2qbd h THR 102 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2qbd h THR 102 Cb 0.00 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2qbd h THR 102 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 2qbd n GLY 103 N -1.39 -1.29 3.27 2.16 0.00 -1.26 -4.76 105.19 101.92 2qbd n GLY 103 Ca 0.04 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 2qbd n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qbd s ILE 104 N -1.04 4.41 -0.55 -0.61 2.07 -0.90 -1.47 121.20 123.11 2qbd s ILE 104 Ca 0.00 -1.45 -0.14 0.00 -1.41 0.00 0.00 60.65 57.65 2qbd s ILE 104 Cb 0.00 -3.74 0.14 0.00 0.13 0.00 0.00 42.46 38.98 2qbd s ILE 104 CO 0.00 -0.60 0.49 -0.63 -1.91 0.00 0.00 174.94 172.29 2qbd s ILE 105 N 1.45 5.03 0.20 2.00 1.01 0.12 -4.93 121.20 126.08 2qbd s ILE 105 Ca 0.04 -1.65 -0.13 0.00 0.00 0.00 0.00 60.65 58.91 2qbd s ILE 105 Cb -0.24 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.00 2qbd s ILE 105 CO 0.02 -0.86 0.42 0.00 0.00 0.00 0.00 174.94 174.52 2qbd s ALA 106 N 1.42 -0.35 1.00 9.38 0.00 -1.26 -1.85 121.76 130.09 2qbd s ALA 106 Ca 0.05 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2qbd s ALA 106 Cb -0.28 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.78 2qbd s ALA 106 CO 0.01 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.41 2qbd n GLY 107 N -0.31 -1.44 0.00 0.00 0.00 -1.26 -4.61 105.19 97.56 2qbd n GLY 107 Ca -0.06 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2qbd n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbd n GLY 108 N 3.46 -1.69 0.41 -0.02 0.00 -1.26 -2.30 105.19 103.79 2qbd n GLY 108 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.24 2qbd n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbd h ALA 109 N -2.20 2.28 -0.34 4.61 0.00 -1.93 -1.28 119.26 120.38 2qbd h ALA 109 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2qbd h ALA 109 Cb 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2qbd h ALA 109 CO 0.00 -0.85 -0.02 0.52 0.00 0.00 0.00 179.25 178.90 2qbd h MET 110 N 0.00 0.07 0.04 0.00 2.07 -1.90 -3.05 114.93 112.15 2qbd h MET 110 Ca 0.25 -0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.88 2qbd h MET 110 Cb 1.40 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 31.12 2qbd h MET 110 CO -0.00 0.05 -0.02 0.07 1.07 0.00 0.00 176.91 178.08 2qbd h ARG 111 N 0.07 -0.05 -0.88 1.72 0.11 -0.81 -3.25 114.38 111.29 2qbd h ARG 111 Ca 0.17 0.00 0.32 0.00 0.10 0.00 0.00 59.98 60.57 2qbd h ARG 111 Cb 0.24 0.01 -0.16 0.00 1.11 0.00 0.00 29.97 31.17 2qbd h ARG 111 CO -0.30 0.61 0.30 0.00 0.10 0.00 0.00 179.97 180.68 2qbd n ALA 112 N -2.58 0.73 -0.03 0.08 0.00 -1.16 -0.11 120.51 117.43 2qbd n ALA 112 Ca -0.08 0.92 -0.15 0.00 0.00 0.00 0.00 53.44 54.13 2qbd n ALA 112 Cb 0.33 -0.82 -0.10 0.00 0.00 0.00 0.00 19.45 18.87 2qbd n ALA 112 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2qbd h VAL 113 N 0.00 1.45 -0.54 0.00 -1.51 -1.65 -3.27 116.25 110.73 2qbd h VAL 113 Ca 0.66 -1.75 -0.06 0.00 -1.23 0.00 0.00 66.70 64.32 2qbd h VAL 113 Cb 1.64 2.42 -0.02 0.00 -2.13 0.00 0.00 31.29 33.19 2qbd h VAL 113 CO -0.74 0.50 0.11 -0.07 -1.23 0.00 0.00 177.57 176.14 2qbd h LEU 114 N -0.24 0.84 -0.45 4.19 3.38 -0.56 -1.40 115.31 121.07 2qbd h LEU 114 Ca -0.02 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 57.79 2qbd h LEU 114 Cb 0.96 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.40 2qbd h LEU 114 CO 0.06 0.87 -0.15 -0.08 0.09 0.00 0.00 178.44 179.23 2qbd h GLU 115 N 0.78 -0.05 0.00 1.13 4.81 -0.61 -0.42 114.58 120.21 2qbd h GLU 115 Ca 0.17 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2qbd h GLU 115 Cb 0.37 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2qbd h GLU 115 CO 0.01 -0.03 -0.16 -0.39 -0.73 0.00 0.00 179.01 177.70 2qbd h VAL 116 N -0.05 0.30 0.00 0.32 -1.51 -1.59 -3.13 116.25 110.59 2qbd h VAL 116 Ca 0.22 -1.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 2qbd h VAL 116 Cb 0.38 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 2qbd h VAL 116 CO -0.49 0.16 0.00 0.00 -1.23 0.00 0.00 177.57 176.01 2qbd h ALA 117 N 1.84 1.00 0.00 5.19 0.00 0.07 -1.55 119.26 125.80 2qbd h ALA 117 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qbd h ALA 117 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2qbd h ALA 117 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2qbd n GLY 118 N -0.26 1.14 3.71 0.00 0.00 -0.92 -3.41 105.19 105.46 2qbd n GLY 118 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2qbd n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbd s VAL 119 N -2.11 3.48 -0.07 1.61 1.01 -0.88 -4.76 120.40 118.68 2qbd s VAL 119 Ca 0.00 1.03 0.03 0.00 0.00 0.00 0.00 61.98 63.04 2qbd s VAL 119 Cb 0.00 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 2qbd s VAL 119 CO 0.00 0.06 -0.03 1.41 0.00 0.00 0.00 175.10 176.55 2qbd n HIS 120 N 4.23 0.00 -3.86 5.22 -0.00 0.14 -4.21 115.22 116.74 2qbd n HIS 120 Ca 0.11 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.54 2qbd n HIS 120 Cb 0.43 -0.32 -0.15 0.00 -0.00 0.00 0.00 29.99 29.95 2qbd n HIS 120 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 2qbd s ASN 121 N -4.32 3.95 -0.13 0.41 0.01 -1.17 -2.11 114.94 111.58 2qbd s ASN 121 Ca -0.07 -1.45 -0.23 0.00 -0.71 0.00 0.00 52.86 50.39 2qbd s ASN 121 Cb 0.02 -1.08 0.06 0.00 0.41 0.00 0.00 41.25 40.66 2qbd s ASN 121 CO 0.23 -0.33 0.58 0.68 -1.51 0.00 0.00 177.10 176.75 2qbd s VAL 122 N 1.44 0.01 -0.46 1.60 -7.23 -0.54 -2.85 120.40 112.36 2qbd s VAL 122 Ca 0.03 -0.07 0.03 0.00 -1.81 0.00 0.00 61.98 60.16 2qbd s VAL 122 Cb -0.18 -0.86 0.13 0.00 0.56 0.00 0.00 36.38 36.03 2qbd s VAL 122 CO -0.13 -0.04 0.22 -1.48 -0.31 0.00 0.00 175.10 173.36 2qbd s LEU 123 N -0.44 3.80 0.26 1.32 0.05 -0.99 0.11 118.68 122.78 2qbd s LEU 123 Ca -0.06 -2.71 0.10 0.00 0.05 0.00 0.00 54.13 51.51 2qbd s LEU 123 Cb -0.03 -1.42 -0.04 0.00 -2.05 0.00 0.00 46.19 42.64 2qbd s LEU 123 CO 0.04 -0.27 -0.03 0.00 -0.55 0.00 0.00 176.35 175.55 2qbd s ALA 124 N 0.16 3.11 -0.03 1.48 0.00 -0.77 -4.03 121.76 121.67 2qbd s ALA 124 Ca 0.16 -1.66 0.04 0.00 0.00 0.00 0.00 51.96 50.50 2qbd s ALA 124 Cb -0.24 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.14 2qbd s ALA 124 CO -0.02 0.28 -0.16 0.21 0.00 0.00 0.00 175.76 176.07 2qbd s LYS 125 N -3.60 1.51 -0.24 0.00 2.47 -0.55 -4.44 119.74 114.89 2qbd s LYS 125 Ca 0.31 -0.55 -0.02 0.00 -1.56 0.00 0.00 55.97 54.15 2qbd s LYS 125 Cb -0.06 -1.36 0.02 0.00 -1.46 0.00 0.00 37.83 34.96 2qbd s LYS 125 CO 0.19 0.25 -0.06 0.00 0.16 0.00 0.00 175.35 175.89 2qbd s ALA 126 N -0.06 2.70 0.03 3.13 0.00 -1.26 -1.70 121.76 124.59 2qbd s ALA 126 Ca -0.01 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.58 2qbd s ALA 126 Cb -0.09 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 2qbd s ALA 126 CO 0.01 -0.70 -0.06 1.52 0.00 0.00 0.00 175.76 176.53 2qbd s TYR 127 N 1.36 0.48 0.00 0.00 -0.00 -0.70 -4.92 117.35 113.57 2qbd s TYR 127 Ca 0.02 -0.45 0.00 0.00 -0.00 0.00 0.00 57.07 56.64 2qbd s TYR 127 Cb -0.16 -0.30 0.00 0.00 -0.00 0.00 0.00 41.96 41.50 2qbd s TYR 127 CO -0.05 -0.11 0.00 0.41 -0.00 0.00 0.00 175.55 175.80 2qbd n GLY 128 N 1.72 2.22 2.87 5.49 0.00 -1.26 -2.05 105.19 114.19 2qbd n GLY 128 Ca -0.22 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 2qbd n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qbd s SER 129 N -4.00 3.60 0.00 1.61 0.15 0.41 -4.88 113.70 110.58 2qbd s SER 129 Ca 0.00 -1.11 0.12 0.00 0.70 0.00 0.00 55.95 55.65 2qbd s SER 129 Cb 0.00 -1.00 0.71 0.00 -1.71 0.00 0.00 66.02 64.02 2qbd s SER 129 CO 0.00 -0.27 1.25 0.35 1.20 0.00 0.00 173.24 175.78 2qbd n THR 130 N 4.78 0.00 -1.68 6.45 -2.24 -1.26 -4.44 114.28 115.89 2qbd n THR 130 Ca -0.10 0.00 -0.49 0.00 -2.27 0.00 0.00 64.05 61.19 2qbd n THR 130 Cb 0.45 -0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 68.24 2qbd n THR 130 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2qbd n ASN 131 N -0.76 3.25 -0.02 3.42 5.15 -1.26 -4.85 115.26 120.19 2qbd n ASN 131 Ca 0.09 1.01 -0.09 0.00 -0.60 0.00 0.00 54.58 54.99 2qbd n ASN 131 Cb 0.04 -1.36 -0.02 0.00 -0.53 0.00 0.00 39.78 37.91 2qbd n ASN 131 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2qbd h PRO 132 N 8.30 -0.13 -0.75 1.20 0.13 -1.99 0.90 132.00 139.66 2qbd h PRO 132 Ca -0.48 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 64.83 2qbd h PRO 132 Cb 1.27 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.32 2qbd h PRO 132 CO 0.93 -0.09 0.14 0.82 -0.23 0.00 0.00 178.00 179.57 2qbd h ILE 133 N -0.14 0.45 0.00 -3.56 2.04 -1.98 -1.42 117.51 112.90 2qbd h ILE 133 Ca 0.11 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.78 2qbd h ILE 133 Cb 0.29 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2qbd h ILE 133 CO -0.26 0.04 -0.94 0.78 0.00 0.00 0.00 178.15 177.77 2qbd h ASN 134 N 0.21 0.00 0.08 1.72 2.35 -1.85 -3.27 115.58 114.83 2qbd h ASN 134 Ca 0.43 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.17 2qbd h ASN 134 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 2qbd h ASN 134 CO -0.57 0.42 -0.04 0.58 -1.65 0.00 0.00 177.43 176.18 2qbd h VAL 135 N 0.00 1.07 -0.09 2.81 2.07 0.19 -1.40 116.25 120.90 2qbd h VAL 135 Ca -0.07 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 66.92 2qbd h VAL 135 Cb 1.39 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2qbd h VAL 135 CO 0.04 0.13 0.01 1.62 0.02 0.00 0.00 177.57 179.40 2qbd h VAL 136 N -0.35 0.96 -0.19 2.57 3.04 -1.47 0.47 116.25 121.27 2qbd h VAL 136 Ca -0.01 -0.02 -0.00 0.00 -1.01 0.00 0.00 66.70 65.66 2qbd h VAL 136 Cb 0.30 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 30.47 2qbd h VAL 136 CO 0.02 0.01 0.11 -0.09 -1.01 0.00 0.00 177.57 176.61 2qbd h ARG 137 N 0.05 0.26 -0.02 4.17 2.43 -1.60 -0.24 114.38 119.43 2qbd h ARG 137 Ca 0.04 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 2qbd h ARG 137 Cb 0.04 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2qbd h ARG 137 CO -0.06 0.19 -0.39 0.00 -1.51 0.00 0.00 179.97 178.20 2qbd h ALA 138 N 1.86 0.08 -0.33 2.80 0.00 -0.52 -2.53 119.26 120.61 2qbd h ALA 138 Ca 0.07 -0.49 0.07 0.00 0.00 0.00 0.00 54.91 54.55 2qbd h ALA 138 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2qbd h ALA 138 CO -0.01 0.20 -0.07 1.15 0.00 0.00 0.00 179.25 180.52 2qbd h THR 139 N -0.27 0.68 -0.03 0.00 2.02 0.62 -1.47 112.91 114.46 2qbd h THR 139 Ca -0.04 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.15 2qbd h THR 139 Cb 1.09 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 2qbd h THR 139 CO 0.08 0.00 -0.07 0.40 0.37 0.00 0.00 175.52 176.30 2qbd h ILE 140 N 0.01 0.81 -0.98 3.11 2.04 -1.12 -1.95 117.51 119.42 2qbd h ILE 140 Ca 0.16 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.23 2qbd h ILE 140 Cb 0.24 0.81 -0.09 0.00 -0.74 0.00 0.00 36.82 37.03 2qbd h ILE 140 CO -0.33 0.00 0.62 -0.78 0.00 0.00 0.00 178.15 177.66 2qbd h ASP 141 N -0.11 0.62 0.43 1.72 1.82 -0.95 -0.49 116.42 119.47 2qbd h ASP 141 Ca 0.04 0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.74 2qbd h ASP 141 Cb 0.16 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.15 2qbd h ASP 141 CO -0.10 0.21 -0.21 1.23 -1.61 0.00 0.00 179.24 178.77 2qbd h GLY 142 N 0.60 -0.61 0.21 -0.78 0.00 -0.55 -2.63 103.07 99.31 2qbd h GLY 142 Ca 0.55 0.23 0.20 0.00 0.00 0.00 0.00 47.33 48.31 2qbd h GLY 142 CO -0.31 -0.22 0.61 1.41 0.00 0.00 0.00 176.54 178.03 2qbd h LEU 143 N -0.79 0.60 -1.34 3.11 3.38 -0.74 0.14 115.31 119.68 2qbd h LEU 143 Ca -0.06 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2qbd h LEU 143 Cb 0.54 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2qbd h LEU 143 CO 0.10 0.23 -0.19 -0.08 0.09 0.00 0.00 178.44 178.58 2qbd h GLU 144 N 0.59 0.20 -0.09 1.13 4.81 -0.91 -3.17 114.58 117.14 2qbd h GLU 144 Ca 0.53 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.67 2qbd h GLU 144 Cb 1.04 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 2qbd h GLU 144 CO -0.28 0.40 -0.06 -0.91 -0.73 0.00 0.00 179.01 177.44 2qbd h ASN 145 N 0.19 0.21 -2.20 1.04 2.35 -0.60 -3.45 115.58 113.13 2qbd h ASN 145 Ca 0.04 -0.43 -0.62 0.00 -0.55 0.00 0.00 56.30 54.73 2qbd h ASN 145 Cb 0.46 -0.06 0.08 0.00 0.05 0.00 0.00 38.32 38.85 2qbd h ASN 145 CO 0.03 0.60 0.45 1.15 -1.65 0.00 0.00 177.43 178.00 2qbd n MET 146 N -4.72 1.54 -4.98 0.81 0.00 -1.17 -4.98 117.12 103.61 2qbd n MET 146 Ca -0.07 0.55 -0.27 0.00 0.00 0.00 0.00 57.70 57.91 2qbd n MET 146 Cb 0.28 -2.14 -0.16 0.00 0.00 0.00 0.00 33.22 31.21 2qbd n MET 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2qbd s ASN 147 N 0.21 2.41 0.87 3.17 2.20 -1.26 -4.62 114.94 117.92 2qbd s ASN 147 Ca 0.73 -0.38 -0.12 0.00 -0.94 0.00 0.00 52.86 52.15 2qbd s ASN 147 Cb -0.78 -0.43 0.10 0.00 -2.00 0.00 0.00 41.25 38.14 2qbd s ASN 147 CO 0.50 0.22 1.01 -1.54 -2.94 0.00 0.00 177.10 174.35 2qbd n SER 148 N 2.79 0.11 -0.03 3.54 3.41 -1.26 -4.72 113.62 117.46 2qbd n SER 148 Ca -0.16 0.48 0.03 0.00 -0.26 0.00 0.00 58.87 58.96 2qbd n SER 148 Cb 0.53 -1.43 0.40 0.00 -0.26 0.00 0.00 64.21 63.45 2qbd n SER 148 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2qbd h PRO 149 N -1.39 0.60 -0.57 4.33 0.13 -1.97 -0.96 132.00 132.17 2qbd h PRO 149 Ca -0.44 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 2qbd h PRO 149 Cb 1.29 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2qbd h PRO 149 CO 0.42 0.40 0.00 1.05 -0.23 0.00 0.00 178.00 179.64 2qbd h GLU 150 N 0.62 1.01 -0.70 0.86 9.09 -1.98 -0.87 114.58 122.60 2qbd h GLU 150 Ca 0.17 -0.32 -0.06 0.00 0.05 0.00 0.00 59.36 59.20 2qbd h GLU 150 Cb -0.07 -0.09 -0.03 0.00 -1.65 0.00 0.00 28.75 26.91 2qbd h GLU 150 CO -0.04 1.00 0.19 1.98 0.05 0.00 0.00 179.01 182.20 2qbd h MET 151 N 0.90 1.10 -0.20 1.06 4.05 -1.65 0.32 114.93 120.51 2qbd h MET 151 Ca 0.16 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 2qbd h MET 151 Cb 0.54 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 2qbd h MET 151 CO 0.03 0.95 0.09 0.28 0.23 0.00 0.00 176.91 178.50 2qbd h VAL 152 N 1.05 1.13 -0.03 -5.77 2.07 -0.87 -2.17 116.25 111.66 2qbd h VAL 152 Ca 0.22 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 2qbd h VAL 152 Cb 0.33 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2qbd h VAL 152 CO -0.00 0.13 -0.30 0.00 0.02 0.00 0.00 177.57 177.42 2qbd h ALA 153 N 0.96 1.45 0.25 1.67 0.00 -0.82 -3.00 119.26 119.77 2qbd h ALA 153 Ca 0.07 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2qbd h ALA 153 Cb 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2qbd h ALA 153 CO -0.01 0.41 -0.39 0.00 0.00 0.00 0.00 179.25 179.26 2qbd h ALA 154 N 1.65 -0.77 -0.27 0.00 0.00 0.26 -2.92 119.26 117.22 2qbd h ALA 154 Ca 0.01 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2qbd h ALA 154 Cb 0.56 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 2qbd h ALA 154 CO 0.04 -0.98 -0.45 0.87 0.00 0.00 0.00 179.25 178.73 2qbd h LYS 155 N -0.71 -0.35 0.00 0.00 1.57 -1.33 -3.43 116.57 112.32 2qbd h LYS 155 Ca -0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2qbd h LYS 155 Cb 0.68 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2qbd h LYS 155 CO -0.15 -0.23 0.00 2.89 -0.57 0.00 0.00 179.45 181.39 2qbd n ARG 156 N -4.86 3.10 0.00 3.15 1.85 -1.10 -4.81 116.66 113.99 2qbd n ARG 156 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 2qbd n ARG 156 Cb 0.28 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.69 2qbd n ARG 156 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qbd n GLY 157 N 5.00 0.99 3.95 2.89 0.00 -1.22 -4.91 105.19 111.89 2qbd n GLY 157 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.40 2qbd n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60