#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q9k s VAL 5 N 0.00 4.62 0.37 0.58 1.01 -1.26 -4.66 120.40 121.06 2q9k s VAL 5 Ca 0.00 1.60 0.08 0.00 0.00 0.00 0.00 61.98 63.66 2q9k s VAL 5 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2q9k s VAL 5 CO 0.00 0.43 0.22 -1.61 0.00 0.00 0.00 175.10 174.14 2q9k s GLU 6 N -0.51 2.41 -0.02 2.72 0.41 0.11 -4.95 118.70 118.88 2q9k s GLU 6 Ca 0.36 -1.59 0.03 0.00 -0.41 0.00 0.00 54.97 53.36 2q9k s GLU 6 Cb -0.21 -2.21 0.04 0.00 -1.78 0.00 0.00 34.13 29.97 2q9k s GLU 6 CO 0.23 -0.01 0.92 0.72 -0.49 0.00 0.00 175.26 176.63 2q9k n HIS 7 N -1.28 0.00 -3.96 1.61 8.25 -1.26 -0.38 115.22 118.20 2q9k n HIS 7 Ca -0.01 -0.45 -0.09 0.00 -0.26 0.00 0.00 57.72 56.91 2q9k n HIS 7 Cb 0.62 -0.05 -0.05 0.00 1.12 0.00 0.00 29.99 31.62 2q9k n HIS 7 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2q9k s ARG 8 N -1.01 1.49 0.18 -0.41 1.70 -1.26 -4.73 118.95 114.91 2q9k s ARG 8 Ca 0.04 -1.19 -0.16 0.00 -0.47 0.00 0.00 55.73 53.95 2q9k s ARG 8 Cb 0.04 0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 34.81 2q9k s ARG 8 CO 0.00 -0.61 0.62 -0.51 -1.08 0.00 0.00 175.30 173.72 2q9k s LEU 9 N -2.99 4.33 0.83 -1.89 1.43 0.74 -4.87 118.68 116.25 2q9k s LEU 9 Ca 0.20 1.21 -0.12 0.00 -1.03 0.00 0.00 54.13 54.39 2q9k s LEU 9 Cb -0.00 -3.43 0.09 0.00 0.03 0.00 0.00 46.19 42.88 2q9k s LEU 9 CO 0.06 0.06 1.19 -0.94 0.23 0.00 0.00 176.35 176.96 2q9k s SER 10 N -1.73 4.35 0.22 2.29 1.04 -1.26 -4.80 113.70 113.82 2q9k s SER 10 Ca 0.41 0.75 -0.08 0.00 0.48 0.00 0.00 55.95 57.50 2q9k s SER 10 Cb -0.15 -1.20 0.19 0.00 0.10 0.00 0.00 66.02 64.95 2q9k s SER 10 CO 0.20 -2.00 1.85 -0.33 0.98 0.00 0.00 173.24 173.93 2q9k h GLU 11 N -1.12 1.19 -0.08 4.02 4.39 -2.02 -2.43 114.58 118.53 2q9k h GLU 11 Ca -0.46 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.00 2q9k h GLU 11 Cb 1.32 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2q9k h GLU 11 CO 0.64 0.87 -0.42 1.96 -1.16 0.00 0.00 179.01 180.89 2q9k h GLN 12 N 1.19 0.17 -1.43 2.33 1.08 -2.04 -1.62 115.11 114.78 2q9k h GLN 12 Ca 0.30 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 2q9k h GLN 12 Cb 0.03 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2q9k h GLN 12 CO -0.05 0.57 0.00 1.04 -0.95 0.00 0.00 178.83 179.44 2q9k n GLN 13 N -4.02 0.40 0.00 1.46 6.02 -0.92 -0.85 117.38 119.47 2q9k n GLN 13 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2q9k n GLN 13 Cb 0.48 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.45 2q9k n GLN 13 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2q9k n LYS 15 N 0.73 0.00 0.27 -1.09 4.81 -0.61 -1.43 118.16 120.84 2q9k n LYS 15 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.59 2q9k n LYS 15 Cb 0.19 0.00 0.74 0.00 0.02 0.00 0.00 35.03 35.98 2q9k n LYS 15 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2q9k h ALA 16 N 0.00 1.11 -0.36 3.14 0.00 -1.26 -2.61 119.26 119.27 2q9k h ALA 16 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2q9k h ALA 16 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2q9k h ALA 16 CO 0.00 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.64 2q9k n LEU 17 N -3.34 4.12 -0.20 0.00 4.77 -0.51 -4.29 117.00 117.54 2q9k n LEU 17 Ca -0.01 -2.80 0.05 0.00 -0.03 0.00 0.00 56.01 53.22 2q9k n LEU 17 Cb 0.27 -0.52 0.06 0.00 -2.33 0.00 0.00 43.42 40.90 2q9k n LEU 17 CO 0.28 0.69 0.43 0.35 -1.33 0.00 0.00 177.39 177.81 2q9k n THR 18 N -0.03 0.98 -2.34 -5.08 -2.24 -0.98 -1.45 114.28 103.14 2q9k n THR 18 Ca 0.21 -1.15 -0.11 0.00 -2.27 0.00 0.00 64.05 60.73 2q9k n THR 18 Cb 0.87 0.21 0.04 0.00 -2.10 0.00 0.00 70.33 69.36 2q9k n THR 18 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2q9k n ASP 19 N -0.71 3.21 -3.78 3.42 2.03 -1.24 -5.00 116.55 114.48 2q9k n ASP 19 Ca 0.07 -2.99 -0.34 0.00 0.52 0.00 0.00 54.79 52.05 2q9k n ASP 19 Cb 0.60 -0.40 0.03 0.00 -0.72 0.00 0.00 41.12 40.63 2q9k n ASP 19 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2q9k n LEU 20 N -0.63 -2.31 -4.81 -2.67 4.32 -1.26 -4.95 117.00 104.69 2q9k n LEU 20 Ca 0.26 -1.07 -0.30 0.00 -0.02 0.00 0.00 56.01 54.88 2q9k n LEU 20 Cb 0.89 -2.23 0.07 0.00 -1.62 0.00 0.00 43.42 40.53 2q9k n LEU 20 CO 0.22 0.53 0.71 -2.16 -1.22 0.00 0.00 177.39 175.47 2q9k s PRO 21 N -6.31 2.44 -0.28 3.23 0.04 -1.26 -4.91 135.00 127.96 2q9k s PRO 21 Ca 0.43 0.80 -0.25 0.00 0.04 0.00 0.00 61.00 62.02 2q9k s PRO 21 Cb -0.17 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2q9k s PRO 21 CO 0.88 -1.41 0.86 -1.17 0.04 0.00 0.00 177.00 176.21 2q9k s LEU 22 N -5.69 4.06 0.17 -3.56 2.96 -1.26 -4.11 118.68 111.25 2q9k s LEU 22 Ca 0.60 0.90 0.05 0.00 -0.22 0.00 0.00 54.13 55.45 2q9k s LEU 22 Cb -0.14 -3.21 -0.05 0.00 0.50 0.00 0.00 46.19 43.29 2q9k s LEU 22 CO 0.55 -0.62 -0.10 0.68 -1.32 0.00 0.00 176.35 175.54 2q9k s VAL 23 N 3.03 1.29 -0.22 1.68 -7.23 -0.57 -4.60 120.40 113.78 2q9k s VAL 23 Ca 0.36 -2.09 -0.04 0.00 -1.81 0.00 0.00 61.98 58.39 2q9k s VAL 23 Cb -0.14 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 2q9k s VAL 23 CO 0.11 -0.64 -0.03 -0.36 -0.31 0.00 0.00 175.10 173.86 2q9k s PHE 24 N -3.25 2.97 -0.16 2.82 0.08 -0.50 -0.91 117.98 119.03 2q9k s PHE 24 Ca 0.20 -0.90 -0.15 0.00 0.12 0.00 0.00 56.93 56.21 2q9k s PHE 24 Cb 0.02 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.31 2q9k s PHE 24 CO 0.03 -0.53 0.33 -1.17 -0.10 0.00 0.00 175.22 173.78 2q9k s LEU 25 N 1.49 4.24 -0.12 -0.37 2.96 0.11 -0.70 118.68 126.30 2q9k s LEU 25 Ca 0.06 0.56 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 2q9k s LEU 25 Cb -0.14 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.12 2q9k s LEU 25 CO -0.03 0.07 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.28 2q9k s ILE 26 N 0.56 1.59 0.25 6.68 1.01 0.63 -1.40 121.20 130.51 2q9k s ILE 26 Ca 0.18 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.15 2q9k s ILE 26 Cb -0.13 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 2q9k s ILE 26 CO 0.05 0.46 0.08 0.42 0.00 0.00 0.00 174.94 175.95 2q9k s THR 27 N 0.99 0.57 -0.09 2.92 -4.23 -0.57 -1.58 115.64 113.65 2q9k s THR 27 Ca -0.06 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.48 2q9k s THR 27 Cb -0.15 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 71.13 2q9k s THR 27 CO -0.02 -0.06 -0.17 -1.00 -0.54 0.00 0.00 174.62 172.82 2q9k s HIS 28 N -3.74 1.99 -0.31 3.99 3.76 -1.26 -1.12 115.29 118.60 2q9k s HIS 28 Ca 0.36 -0.82 -0.09 0.00 -0.15 0.00 0.00 55.06 54.37 2q9k s HIS 28 Cb 0.08 -1.39 0.00 0.00 1.11 0.00 0.00 32.58 32.38 2q9k s HIS 28 CO 0.12 -0.37 0.13 0.34 -0.85 0.00 0.00 174.74 174.11 2q9k s ASP 29 N 0.60 5.43 0.56 1.40 -1.08 -1.26 -4.84 116.67 117.48 2q9k s ASP 29 Ca -0.15 -0.63 0.33 0.00 -0.52 0.00 0.00 52.55 51.58 2q9k s ASP 29 Cb -0.16 -1.96 1.47 0.00 -1.46 0.00 0.00 42.92 40.81 2q9k s ASP 29 CO 0.05 -0.21 1.80 0.06 0.52 0.00 0.00 175.17 177.38 2q9k h GLN 30 N 8.32 0.00 -0.18 4.34 -0.00 -1.97 -1.51 115.11 124.11 2q9k h GLN 30 Ca -0.31 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.22 2q9k h GLN 30 Cb 1.14 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.60 2q9k h GLN 30 CO 0.62 0.00 -0.38 0.66 -0.00 0.00 0.00 178.83 179.73 2q9k h SER 31 N 0.00 0.41 -2.37 0.06 4.64 -1.97 -3.45 113.55 110.88 2q9k h SER 31 Ca 0.45 -0.17 -0.52 0.00 -0.47 0.00 0.00 61.79 61.08 2q9k h SER 31 Cb 1.97 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 63.90 2q9k h SER 31 CO -0.00 0.76 -0.53 -0.54 -0.87 0.00 0.00 176.83 175.64 2q9k s LYS 32 N -4.24 2.96 0.00 4.77 3.01 -0.57 -5.01 119.74 120.66 2q9k s LYS 32 Ca -0.06 -0.97 0.25 0.00 -1.01 0.00 0.00 55.97 54.18 2q9k s LYS 32 Cb 0.13 -2.62 0.95 0.00 -1.01 0.00 0.00 37.83 35.28 2q9k s LYS 32 CO 0.79 0.43 1.67 -1.13 0.51 0.00 0.00 175.35 177.63 2q9k n SER 33 N -0.91 1.53 -4.29 2.83 3.41 -1.26 -4.77 113.62 110.16 2q9k n SER 33 Ca -0.08 -1.57 -0.19 0.00 -0.26 0.00 0.00 58.87 56.76 2q9k n SER 33 Cb 0.57 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.36 2q9k n SER 33 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 2q9k s TRP 34 N -1.92 1.60 0.59 7.33 -2.14 -1.26 -5.14 118.94 118.01 2q9k s TRP 34 Ca 0.36 -0.53 -0.16 0.00 2.66 0.00 0.00 56.10 58.43 2q9k s TRP 34 Cb 0.20 -0.81 -0.04 0.00 -3.10 0.00 0.00 33.47 29.71 2q9k s TRP 34 CO 0.31 0.24 1.05 -1.25 -2.66 0.00 0.00 176.95 174.63 2q9k s PRO 35 N -2.86 3.41 0.02 3.25 0.04 -1.26 -4.60 135.00 133.00 2q9k s PRO 35 Ca 0.13 1.14 -0.20 0.00 0.04 0.00 0.00 61.00 62.11 2q9k s PRO 35 Cb -0.04 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 2q9k s PRO 35 CO 0.05 -0.73 0.60 0.42 0.04 0.00 0.00 177.00 177.37 2q9k s ILE 36 N -2.52 4.84 0.01 0.56 1.01 -0.27 -4.95 121.20 119.87 2q9k s ILE 36 Ca 0.62 1.27 0.05 0.00 0.00 0.00 0.00 60.65 62.60 2q9k s ILE 36 Cb -0.15 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 2q9k s ILE 36 CO 0.37 0.46 -0.17 0.42 0.00 0.00 0.00 174.94 176.02 2q9k s THR 37 N -0.48 1.34 0.01 2.92 -4.23 -1.26 -1.52 115.64 112.43 2q9k s THR 37 Ca 0.31 -0.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.96 2q9k s THR 37 Cb -0.19 -1.15 -0.01 0.00 1.34 0.00 0.00 72.50 72.50 2q9k s THR 37 CO 0.18 0.27 -0.04 -1.00 -0.54 0.00 0.00 174.62 173.49 2q9k s HIS 38 N -0.56 0.32 -0.11 3.99 3.76 -0.49 -4.99 115.29 117.21 2q9k s HIS 38 Ca 0.06 -0.27 -0.15 0.00 -0.15 0.00 0.00 55.06 54.55 2q9k s HIS 38 Cb -0.07 -0.21 -0.05 0.00 1.11 0.00 0.00 32.58 33.37 2q9k s HIS 38 CO 0.00 -0.07 0.37 0.00 -0.85 0.00 0.00 174.74 174.19 2q9k s ALA 39 N -0.71 3.59 0.06 -1.40 0.00 -1.26 0.10 121.76 122.13 2q9k s ALA 39 Ca -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2q9k s ALA 39 Cb -0.05 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 2q9k s ALA 39 CO -0.00 0.16 -0.05 0.96 0.00 0.00 0.00 175.76 176.84 2q9k s ILE 40 N 0.15 0.39 0.00 0.00 -4.36 -0.09 -4.95 121.20 112.34 2q9k s ILE 40 Ca 0.21 -1.75 0.00 0.00 -0.26 0.00 0.00 60.65 58.85 2q9k s ILE 40 Cb -0.14 -1.44 0.00 0.00 1.25 0.00 0.00 42.46 42.13 2q9k s ILE 40 CO 0.08 -0.89 0.00 -1.54 0.24 0.00 0.00 174.94 172.83 2q9k n SER 41 N 0.24 1.22 -4.09 4.36 3.41 -1.26 -1.51 113.62 115.98 2q9k n SER 41 Ca -0.15 -0.29 -0.42 0.00 -0.26 0.00 0.00 58.87 57.75 2q9k n SER 41 Cb 0.60 0.82 0.00 0.00 -0.26 0.00 0.00 64.21 65.37 2q9k n SER 41 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2q9k n TRP 42 N -0.94 4.00 -4.11 7.33 8.01 -1.26 -4.06 117.44 126.39 2q9k n TRP 42 Ca 0.00 -2.93 -0.14 0.00 -1.31 0.00 0.00 57.50 53.11 2q9k n TRP 42 Cb 0.00 -2.54 -0.13 0.00 -2.01 0.00 0.00 31.31 26.63 2q9k n TRP 42 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 2q9k s VAL 43 N 3.36 0.54 -0.16 -0.99 1.01 -1.26 -1.34 120.40 121.55 2q9k s VAL 43 Ca 0.49 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 2q9k s VAL 43 Cb 0.09 -0.55 0.06 0.00 0.00 0.00 0.00 36.38 35.99 2q9k s VAL 43 CO -0.02 -0.19 0.37 -0.47 0.00 0.00 0.00 175.10 174.80 2q9k s TYR 44 N -0.91 -0.57 -0.64 5.22 5.04 0.51 -4.50 117.35 121.50 2q9k s TYR 44 Ca -0.05 1.20 -0.24 0.00 -2.44 0.00 0.00 57.07 55.54 2q9k s TYR 44 Cb -0.07 0.21 0.05 0.00 0.35 0.00 0.00 41.96 42.50 2q9k s TYR 44 CO 0.00 -0.34 1.05 0.00 -1.34 0.00 0.00 175.55 174.92 2q9k s ALA 45 N 1.61 3.04 0.28 3.97 0.00 -0.52 -0.58 121.76 129.55 2q9k s ALA 45 Ca -0.08 -1.49 -0.01 0.00 0.00 0.00 0.00 51.96 50.39 2q9k s ALA 45 Cb -0.10 -3.93 0.40 0.00 0.00 0.00 0.00 23.12 19.49 2q9k s ALA 45 CO -0.12 -2.77 1.82 -0.22 0.00 0.00 0.00 175.76 174.47 2q9k h LYS 46 N 9.60 0.81 0.00 0.00 1.63 -1.61 -3.47 116.57 123.53 2q9k h LYS 46 Ca -0.28 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2q9k h LYS 46 Cb 1.07 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.58 2q9k h LYS 46 CO 1.18 0.75 0.02 -0.40 -3.45 0.00 0.00 179.45 177.54 2q9k n ASP 47 N -4.26 -0.10 0.22 4.20 5.68 -1.21 -4.99 116.55 116.09 2q9k n ASP 47 Ca 0.04 -1.06 0.15 0.00 -0.50 0.00 0.00 54.79 53.42 2q9k n ASP 47 Cb 0.24 0.16 0.70 0.00 -1.14 0.00 0.00 41.12 41.07 2q9k n ASP 47 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2q9k h GLU 48 N 0.00 0.00 0.00 0.11 4.11 -1.91 -2.93 114.58 113.96 2q9k h GLU 48 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2q9k h GLU 48 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2q9k h GLU 48 CO 0.02 0.00 -0.03 0.25 0.07 0.00 0.00 179.01 179.32 2q9k n THR 49 N -2.67 0.88 -3.98 -1.06 -2.24 -1.26 -0.19 114.28 103.76 2q9k n THR 49 Ca 0.00 -0.94 -0.23 0.00 -2.27 0.00 0.00 64.05 60.61 2q9k n THR 49 Cb 0.20 0.48 -0.17 0.00 -2.10 0.00 0.00 70.33 68.74 2q9k n THR 49 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2q9k s THR 50 N -1.05 0.60 -0.07 4.28 2.01 -1.11 -0.44 115.64 119.85 2q9k s THR 50 Ca 0.05 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.00 2q9k s THR 50 Cb 0.05 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 2q9k s THR 50 CO 0.01 0.27 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.45 2q9k s ILE 51 N 1.48 3.15 0.10 1.82 -1.09 -0.65 -1.45 121.20 124.55 2q9k s ILE 51 Ca -0.02 -0.67 0.10 0.00 -2.23 0.00 0.00 60.65 57.83 2q9k s ILE 51 Cb -0.13 -2.27 -0.04 0.00 -1.58 0.00 0.00 42.46 38.45 2q9k s ILE 51 CO -0.03 0.57 -0.25 -0.13 -1.23 0.00 0.00 174.94 173.87 2q9k s ARG 52 N -0.44 1.40 0.15 2.79 0.52 0.25 -0.90 118.95 122.72 2q9k s ARG 52 Ca 0.05 -1.21 -0.10 0.00 -0.52 0.00 0.00 55.73 53.95 2q9k s ARG 52 Cb -0.12 -1.74 -0.00 0.00 0.52 0.00 0.00 34.95 33.61 2q9k s ARG 52 CO 0.02 0.42 0.28 -0.59 0.02 0.00 0.00 175.30 175.45 2q9k s PHE 53 N -1.01 0.29 -0.03 -0.53 -0.12 -0.56 -0.36 117.98 115.65 2q9k s PHE 53 Ca 0.11 -0.66 0.05 0.00 -0.05 0.00 0.00 56.93 56.38 2q9k s PHE 53 Cb -0.10 -0.02 -0.01 0.00 -0.63 0.00 0.00 43.02 42.27 2q9k s PHE 53 CO 0.04 -0.69 -0.18 0.00 -0.05 0.00 0.00 175.22 174.35 2q9k s ALA 54 N -3.93 1.52 0.16 1.99 0.00 -0.45 -0.70 121.76 120.34 2q9k s ALA 54 Ca 0.13 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.41 2q9k s ALA 54 Cb 0.03 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 2q9k s ALA 54 CO -0.03 0.31 -0.09 0.96 0.00 0.00 0.00 175.76 176.91 2q9k s ILE 55 N -0.15 1.16 0.30 0.00 -4.36 0.14 -4.69 121.20 113.60 2q9k s ILE 55 Ca 0.00 -2.06 -0.29 0.00 -0.26 0.00 0.00 60.65 58.04 2q9k s ILE 55 Cb -0.10 -1.91 -0.10 0.00 1.25 0.00 0.00 42.46 41.59 2q9k s ILE 55 CO 0.01 -0.69 1.44 -1.61 0.24 0.00 0.00 174.94 174.33 2q9k s GLU 56 N -3.76 4.24 0.64 0.37 2.02 -1.26 0.71 118.70 121.65 2q9k s GLU 56 Ca 0.18 2.38 0.41 0.00 0.02 0.00 0.00 54.97 57.96 2q9k s GLU 56 Cb 0.03 -3.06 2.20 0.00 0.10 0.00 0.00 34.13 33.40 2q9k s GLU 56 CO 0.02 -0.42 2.30 0.00 0.02 0.00 0.00 175.26 177.18 2q9k h ALA 57 N 4.23 1.08 -0.10 5.21 0.00 -1.49 -1.92 119.26 126.29 2q9k h ALA 57 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2q9k h ALA 57 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2q9k h ALA 57 CO 0.72 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.58 2q9k n ASP 58 N -3.21 2.04 -4.75 0.00 5.75 -1.26 -4.88 116.55 110.24 2q9k n ASP 58 Ca -0.03 -1.70 -0.41 0.00 -0.01 0.00 0.00 54.79 52.64 2q9k n ASP 58 Cb 0.11 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 2q9k n ASP 58 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2q9k n SER 59 N 0.58 3.42 0.32 -1.12 2.88 -0.72 -4.88 113.62 114.09 2q9k n SER 59 Ca 0.17 1.20 0.20 0.00 -1.33 0.00 0.00 58.87 59.11 2q9k n SER 59 Cb 0.42 -1.58 1.05 0.00 -0.75 0.00 0.00 64.21 63.35 2q9k n SER 59 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2q9k h LEU 60 N 2.71 0.00 -2.25 2.46 3.38 -1.92 -2.37 115.31 117.32 2q9k h LEU 60 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2q9k h LEU 60 Cb 1.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 2q9k h LEU 60 CO 0.63 0.00 0.01 -0.07 0.09 0.00 0.00 178.44 179.10 2q9k h LEU 61 N 0.00 0.00 0.12 1.67 3.38 -1.94 -2.89 115.31 115.65 2q9k h LEU 61 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2q9k h LEU 61 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2q9k h LEU 61 CO -0.00 0.00 -0.11 0.58 0.09 0.00 0.00 178.44 179.00 2q9k h VAL 62 N 0.00 0.74 -0.45 1.22 2.07 -1.77 0.14 116.25 118.21 2q9k h VAL 62 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2q9k h VAL 62 Cb 0.02 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2q9k h VAL 62 CO -0.00 0.00 0.20 0.50 0.02 0.00 0.00 177.57 178.29 2q9k h LYS 63 N -0.25 0.65 -0.30 1.57 1.63 -1.74 -1.93 116.57 116.20 2q9k h LYS 63 Ca 0.00 -0.11 0.06 0.00 -0.85 0.00 0.00 60.65 59.76 2q9k h LYS 63 Cb 0.24 -0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.70 2q9k h LYS 63 CO -0.03 0.57 -0.06 1.15 -3.45 0.00 0.00 179.45 177.64 2q9k h THR 64 N 0.58 0.72 0.00 1.00 2.02 -1.26 -0.36 112.91 115.61 2q9k h THR 64 Ca 0.15 -0.01 -0.08 0.00 0.77 0.00 0.00 66.41 67.24 2q9k h THR 64 Cb 0.15 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2q9k h THR 64 CO -0.02 0.00 -0.39 -0.07 0.37 0.00 0.00 175.52 175.42 2q9k h LEU 65 N 0.02 0.00 -0.22 2.58 3.38 -0.66 0.31 115.31 120.73 2q9k h LEU 65 Ca 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2q9k h LEU 65 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2q9k h LEU 65 CO -0.30 0.39 -0.23 0.00 0.09 0.00 0.00 178.44 178.40 2q9k h ALA 66 N 1.61 0.32 -0.15 1.53 0.00 -0.72 -3.00 119.26 118.86 2q9k h ALA 66 Ca -0.00 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 2q9k h ALA 66 Cb 0.75 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2q9k h ALA 66 CO 0.05 0.27 -0.64 -0.44 0.00 0.00 0.00 179.25 178.50 2q9k h ASP 67 N 0.22 0.61 -2.41 0.00 3.32 -0.75 -3.40 116.42 114.01 2q9k h ASP 67 Ca 0.03 -0.36 -0.53 0.00 0.02 0.00 0.00 57.03 56.19 2q9k h ASP 67 Cb 0.78 -0.18 -0.37 0.00 0.22 0.00 0.00 39.33 39.78 2q9k h ASP 67 CO 0.06 1.09 -0.82 -2.28 -1.72 0.00 0.00 179.24 175.57 2q9k s HIS 68 N -3.84 0.48 -1.35 4.55 2.46 0.07 -5.05 115.29 112.62 2q9k s HIS 68 Ca -0.07 -1.47 -0.10 0.00 0.47 0.00 0.00 55.06 53.89 2q9k s HIS 68 Cb 0.11 -0.78 -0.07 0.00 -0.13 0.00 0.00 32.58 31.71 2q9k s HIS 68 CO 0.85 -0.86 2.58 -0.35 -2.47 0.00 0.00 174.74 174.48 2q9k n PRO 69 N 4.01 3.01 -3.88 2.88 -0.04 -1.13 -4.40 135.00 135.46 2q9k n PRO 69 Ca 0.13 -1.98 -0.11 0.00 -0.04 0.00 0.00 63.50 61.50 2q9k n PRO 69 Cb 0.40 -2.74 -0.12 0.00 -0.04 0.00 0.00 33.50 31.00 2q9k n PRO 69 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2q9k s VAL 70 N 2.79 0.05 0.15 0.52 1.01 -1.26 -2.39 120.40 121.27 2q9k s VAL 70 Ca 0.58 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 2q9k s VAL 70 Cb 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.29 2q9k s VAL 70 CO -0.05 -0.21 0.31 0.72 0.00 0.00 0.00 175.10 175.88 2q9k s PHE 71 N -0.65 0.25 -0.03 5.22 -0.12 -0.81 -4.73 117.98 117.12 2q9k s PHE 71 Ca -0.07 -0.62 0.04 0.00 -0.05 0.00 0.00 56.93 56.22 2q9k s PHE 71 Cb -0.04 0.02 -0.00 0.00 -0.63 0.00 0.00 43.02 42.36 2q9k s PHE 71 CO 0.00 -0.72 -0.14 0.99 -0.05 0.00 0.00 175.22 175.30 2q9k s THR 72 N -3.93 1.18 -0.09 -4.49 2.01 -0.62 -0.55 115.64 109.16 2q9k s THR 72 Ca 0.13 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.56 2q9k s THR 72 Cb 0.03 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.52 2q9k s THR 72 CO -0.03 0.34 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.28 2q9k s LEU 73 N -0.07 2.31 -0.19 4.42 1.02 0.23 -0.27 118.68 126.13 2q9k s LEU 73 Ca -0.00 -0.45 -0.09 0.00 0.02 0.00 0.00 54.13 53.60 2q9k s LEU 73 Cb -0.09 -1.47 -0.05 0.00 0.02 0.00 0.00 46.19 44.61 2q9k s LEU 73 CO 0.01 0.20 0.12 -0.63 0.02 0.00 0.00 176.35 176.07 2q9k s ILE 74 N 0.13 5.33 0.08 -0.59 1.01 0.12 -0.77 121.20 126.51 2q9k s ILE 74 Ca -0.10 0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 2q9k s ILE 74 Cb -0.16 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 38.89 2q9k s ILE 74 CO 0.06 0.45 0.18 0.72 0.00 0.00 0.00 174.94 176.35 2q9k s PHE 75 N 0.28 0.15 -0.12 3.97 -0.71 -0.07 -1.41 117.98 120.07 2q9k s PHE 75 Ca 0.08 -0.55 -0.14 0.00 -1.04 0.00 0.00 56.93 55.28 2q9k s PHE 75 Cb -0.11 -0.07 -0.05 0.00 -1.21 0.00 0.00 43.02 41.58 2q9k s PHE 75 CO -0.01 -0.51 0.34 -0.06 -1.34 0.00 0.00 175.22 173.63 2q9k s PHE 76 N -3.60 3.54 0.29 3.49 0.40 -1.26 -0.76 117.98 120.07 2q9k s PHE 76 Ca 0.03 0.73 -0.16 0.00 -0.60 0.00 0.00 56.93 56.93 2q9k s PHE 76 Cb 0.04 -2.34 0.02 0.00 0.51 0.00 0.00 43.02 41.24 2q9k s PHE 76 CO -0.10 0.35 0.63 0.00 0.70 0.00 0.00 175.22 176.80 2q9k s ALA 77 N 0.06 -0.65 0.00 5.36 0.00 -1.01 -4.87 121.76 120.65 2q9k s ALA 77 Ca 0.20 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2q9k s ALA 77 Cb -0.14 0.92 0.00 0.00 0.00 0.00 0.00 23.12 23.90 2q9k s ALA 77 CO 0.07 -0.95 0.00 -0.25 0.00 0.00 0.00 175.76 174.63 2q9k n ASP 78 N -0.67 0.00 -2.29 0.00 8.00 -1.26 -0.52 116.55 119.81 2q9k n ASP 78 Ca -0.04 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.18 2q9k n ASP 78 Cb 0.60 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.73 2q9k n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2q9k n GLN 79 N 14.00 3.33 -3.61 -1.24 6.02 -1.26 -4.97 117.38 129.64 2q9k n GLN 79 Ca 0.00 -4.06 -0.14 0.00 -0.01 0.00 0.00 57.00 52.79 2q9k n GLN 79 Cb 0.00 -2.27 -0.05 0.00 1.02 0.00 0.00 30.24 28.94 2q9k n GLN 79 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2q9k n SER 80 N -0.66 -0.61 -4.20 1.08 2.88 0.33 -0.25 113.62 112.19 2q9k n SER 80 Ca 0.47 -2.60 -0.31 0.00 -1.33 0.00 0.00 58.87 55.10 2q9k n SER 80 Cb 0.76 1.35 -0.17 0.00 -0.75 0.00 0.00 64.21 65.40 2q9k n SER 80 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2q9k s THR 81 N -2.96 1.98 0.25 2.46 -4.23 -1.26 -2.41 115.64 109.47 2q9k s THR 81 Ca 0.28 -0.97 0.11 0.00 -1.18 0.00 0.00 61.69 59.93 2q9k s THR 81 Cb 0.01 -1.72 -0.05 0.00 1.34 0.00 0.00 72.50 72.08 2q9k s THR 81 CO 0.20 0.54 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.33 2q9k s TYR 82 N 0.40 2.09 0.02 3.99 1.51 0.06 -1.07 117.35 124.35 2q9k s TYR 82 Ca -0.18 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 55.54 2q9k s TYR 82 Cb -0.18 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.71 2q9k s TYR 82 CO 0.08 0.58 -0.19 0.45 -1.11 0.00 0.00 175.55 175.36 2q9k s SER 83 N -3.38 3.67 0.11 2.29 0.15 0.11 -0.90 113.70 115.76 2q9k s SER 83 Ca 0.27 -0.41 0.07 0.00 0.70 0.00 0.00 55.95 56.58 2q9k s SER 83 Cb -0.04 -0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 63.65 2q9k s SER 83 CO 0.12 0.28 -0.19 -1.48 1.20 0.00 0.00 173.24 173.17 2q9k s LEU 84 N -1.18 2.33 -0.08 3.45 0.05 0.05 -0.49 118.68 122.81 2q9k s LEU 84 Ca 0.13 -0.71 0.05 0.00 0.05 0.00 0.00 54.13 53.65 2q9k s LEU 84 Cb -0.10 -0.77 -0.01 0.00 -2.05 0.00 0.00 46.19 43.26 2q9k s LEU 84 CO 0.03 -0.00 -0.24 0.42 -0.55 0.00 0.00 176.35 176.01 2q9k s THR 85 N -1.41 2.03 -0.03 5.48 -4.23 -0.48 -0.60 115.64 116.41 2q9k s THR 85 Ca 0.06 -1.03 0.07 0.00 -1.18 0.00 0.00 61.69 59.61 2q9k s THR 85 Cb -0.09 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.99 2q9k s THR 85 CO 0.04 0.56 -0.22 0.00 -0.54 0.00 0.00 174.62 174.46 2q9k s THR 87 N -0.67 1.59 -1.41 0.00 -4.23 -0.69 -1.92 115.64 108.32 2q9k s THR 87 Ca 0.11 -1.80 -0.07 0.00 -1.18 0.00 0.00 61.69 58.75 2q9k s THR 87 Cb -0.10 -2.39 0.01 0.00 1.34 0.00 0.00 72.50 71.36 2q9k s THR 87 CO -0.00 0.00 0.91 0.47 -0.54 0.00 0.00 174.62 175.45 2q9k n ASP 88 N -1.38 -6.18 -4.71 3.99 8.00 -1.15 -1.78 116.55 113.35 2q9k n ASP 88 Ca -0.10 -0.41 -0.42 0.00 0.71 0.00 0.00 54.79 54.57 2q9k n ASP 88 Cb 0.66 -4.89 -0.03 0.00 -0.02 0.00 0.00 41.12 36.84 2q9k n ASP 88 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2q9k s VAL 89 N -3.25 3.80 0.01 2.53 1.01 -1.00 -4.55 120.40 118.94 2q9k s VAL 89 Ca 0.45 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.71 2q9k s VAL 89 Cb -0.20 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2q9k s VAL 89 CO 0.56 0.09 -0.04 0.00 0.00 0.00 0.00 175.10 175.70 2q9k s ALA 90 N 1.25 0.28 0.49 5.51 0.00 -0.31 -4.81 121.76 124.18 2q9k s ALA 90 Ca 0.61 -0.29 -0.22 0.00 0.00 0.00 0.00 51.96 52.06 2q9k s ALA 90 Cb -0.32 -0.02 -0.07 0.00 0.00 0.00 0.00 23.12 22.72 2q9k s ALA 90 CO 0.29 0.02 1.17 0.00 0.00 0.00 0.00 175.76 177.24 2q9k s ALA 91 N -0.45 2.87 0.14 0.00 0.00 -1.26 -1.14 121.76 121.91 2q9k s ALA 91 Ca -0.03 0.93 -0.01 0.00 0.00 0.00 0.00 51.96 52.85 2q9k s ALA 91 Cb -0.04 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 2q9k s ALA 91 CO -0.00 -0.75 0.07 1.67 0.00 0.00 0.00 175.76 176.74 2q9k s TRP 92 N -1.60 0.87 0.09 0.00 1.48 -0.41 -4.91 118.94 114.46 2q9k s TRP 92 Ca 0.67 -1.23 0.07 0.00 -1.06 0.00 0.00 56.10 54.55 2q9k s TRP 92 Cb -0.28 -0.47 -0.03 0.00 -1.16 0.00 0.00 33.47 31.52 2q9k s TRP 92 CO 0.33 -0.53 -0.19 -1.21 -4.06 0.00 0.00 176.95 171.29 2q9k s GLU 93 N -4.05 1.04 0.12 3.25 2.02 -1.26 -4.15 118.70 115.67 2q9k s GLU 93 Ca 0.25 -1.07 0.04 0.00 0.02 0.00 0.00 54.97 54.20 2q9k s GLU 93 Cb 0.07 -1.21 -0.04 0.00 0.10 0.00 0.00 34.13 33.06 2q9k s GLU 93 CO 0.02 0.28 0.11 -0.08 0.02 0.00 0.00 175.26 175.61 2q9k s THR 94 N -1.16 4.54 -0.85 3.63 -1.32 -1.26 -5.01 115.64 114.20 2q9k s THR 94 Ca 0.04 -0.90 0.26 0.00 -1.21 0.00 0.00 61.69 59.87 2q9k s THR 94 Cb -0.10 -3.25 0.11 0.00 -1.51 0.00 0.00 72.50 67.75 2q9k s THR 94 CO 0.03 0.02 1.55 0.35 -2.21 0.00 0.00 174.62 174.35 2q9k n THR 95 N 0.07 0.19 -1.29 5.08 -2.24 -1.26 -4.94 114.28 109.89 2q9k n THR 95 Ca -0.08 -0.12 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 2q9k n THR 95 Cb 0.53 -0.14 0.11 0.00 -2.10 0.00 0.00 70.33 68.73 2q9k n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q9k n ALA 96 N -1.64 0.20 -1.96 6.98 0.00 -1.26 -4.95 120.51 117.87 2q9k n ALA 96 Ca 0.05 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 2q9k n ALA 96 Cb 0.38 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 2q9k n ALA 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2q9k s ARG 97 N -3.81 4.23 -0.16 0.00 6.06 -1.26 -4.98 118.95 119.03 2q9k s ARG 97 Ca 0.75 2.32 -0.24 0.00 -2.50 0.00 0.00 55.73 56.07 2q9k s ARG 97 Cb -0.32 -3.21 -0.02 0.00 0.06 0.00 0.00 34.95 31.46 2q9k s ARG 97 CO 0.48 -0.60 0.78 -0.51 -2.50 0.00 0.00 175.30 172.95 2q9k s LEU 98 N 1.28 4.19 0.07 -0.88 1.43 -1.26 -4.95 118.68 118.55 2q9k s LEU 98 Ca 0.70 1.12 0.28 0.00 -1.03 0.00 0.00 54.13 55.19 2q9k s LEU 98 Cb -0.43 -3.15 1.05 0.00 0.03 0.00 0.00 46.19 43.70 2q9k s LEU 98 CO 0.31 -0.33 1.84 -0.81 0.23 0.00 0.00 176.35 177.59 2q9k n PRO 99 N 4.97 0.09 -3.63 1.29 -0.04 -1.26 -4.89 135.00 131.53 2q9k n PRO 99 Ca 0.03 0.07 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 2q9k n PRO 99 Cb 0.49 -1.60 -0.07 0.00 -0.04 0.00 0.00 33.50 32.29 2q9k n PRO 99 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2q9k s LEU 100 N -3.49 0.09 -0.59 1.53 0.20 -1.26 -5.09 118.68 110.05 2q9k s LEU 100 Ca 0.13 0.32 -0.27 0.00 0.69 0.00 0.00 54.13 54.99 2q9k s LEU 100 Cb 0.17 1.94 0.00 0.00 -0.43 0.00 0.00 46.19 47.87 2q9k s LEU 100 CO 0.56 -0.58 1.54 -0.54 -0.29 0.00 0.00 176.35 177.04 2q9k s LYS 101 N -1.63 3.09 0.17 1.98 1.02 -1.26 -4.96 119.74 118.15 2q9k s LYS 101 Ca -0.10 0.43 0.10 0.00 0.02 0.00 0.00 55.97 56.41 2q9k s LYS 101 Cb -0.02 -4.21 -0.04 0.00 -0.52 0.00 0.00 37.83 33.04 2q9k s LYS 101 CO 0.04 -2.20 -0.21 0.14 -0.92 0.00 0.00 175.35 172.21 2q9k s VAL 102 N 6.90 2.02 -0.07 3.17 -7.23 -1.26 -1.40 120.40 122.53 2q9k s VAL 102 Ca 0.55 -1.90 -0.01 0.00 -1.81 0.00 0.00 61.98 58.81 2q9k s VAL 102 Cb -0.11 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 2q9k s VAL 102 CO 0.22 -0.19 0.00 0.00 -0.31 0.00 0.00 175.10 174.82 2q9k s ALA 103 N -1.74 3.28 -0.10 1.32 0.00 0.22 -4.61 121.76 120.13 2q9k s ALA 103 Ca 0.16 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.29 2q9k s ALA 103 Cb -0.07 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 2q9k s ALA 103 CO 0.07 0.60 -0.12 -0.51 0.00 0.00 0.00 175.76 175.81 2q9k s LEU 104 N -1.01 2.84 0.14 0.00 1.43 -1.26 -0.69 118.68 120.13 2q9k s LEU 104 Ca 0.14 -0.23 0.08 0.00 -1.03 0.00 0.00 54.13 53.09 2q9k s LEU 104 Cb -0.11 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2q9k s LEU 104 CO 0.04 0.24 -0.18 -0.31 0.23 0.00 0.00 176.35 176.38 2q9k s TYR 105 N -0.11 1.70 0.00 0.29 2.02 0.12 -1.29 117.35 120.09 2q9k s TYR 105 Ca -0.01 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 2q9k s TYR 105 Cb -0.14 -0.87 -0.00 0.00 -0.40 0.00 0.00 41.96 40.55 2q9k s TYR 105 CO 0.03 0.26 -0.00 -2.00 -1.57 0.00 0.00 175.55 172.27 2q9k s GLU 106 N -2.60 0.03 0.05 -0.62 2.12 -0.29 -1.50 118.70 115.88 2q9k s GLU 106 Ca 0.12 -0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.43 2q9k s GLU 106 Cb -0.06 -0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.27 2q9k s GLU 106 CO 0.05 0.01 -0.03 0.20 -0.54 0.00 0.00 175.26 174.95 2q9k s GLY 107 N -0.03 0.44 -0.19 -1.50 0.00 -0.08 -1.16 107.32 104.81 2q9k s GLY 107 Ca -0.00 -1.11 -0.09 0.00 0.00 0.00 0.00 44.72 43.52 2q9k s GLY 107 CO -0.00 -1.21 0.10 1.20 0.00 0.00 0.00 173.10 173.19 2q9k s GLN 108 N -3.50 4.05 0.18 2.90 -1.52 -0.73 -1.64 119.66 119.40 2q9k s GLN 108 Ca 0.03 -0.26 -0.30 0.00 -1.95 0.00 0.00 55.36 52.88 2q9k s GLN 108 Cb 0.05 -3.32 -0.09 0.00 -0.22 0.00 0.00 33.01 29.43 2q9k s GLN 108 CO -0.08 0.33 1.35 0.42 -0.25 0.00 0.00 175.29 177.06 2q9k s ILE 109 N 0.25 3.14 -0.16 1.08 1.01 0.41 -1.70 121.20 125.23 2q9k s ILE 109 Ca 0.07 0.91 0.02 0.00 0.00 0.00 0.00 60.65 61.65 2q9k s ILE 109 Cb -0.12 -3.58 -0.11 0.00 0.01 0.00 0.00 42.46 38.67 2q9k s ILE 109 CO -0.01 0.12 -0.12 0.29 0.00 0.00 0.00 174.94 175.22 2q9k n LYS 110 N 2.94 0.55 -3.79 2.79 4.76 0.56 -4.91 118.16 121.05 2q9k n LYS 110 Ca 0.08 0.08 -0.13 0.00 -2.87 0.00 0.00 58.31 55.47 2q9k n LYS 110 Cb 0.42 -1.32 -0.09 0.00 -1.84 0.00 0.00 35.03 32.20 2q9k n LYS 110 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2q9k s GLU 111 N -2.32 0.61 -0.07 1.97 -1.05 -1.21 -4.64 118.70 111.99 2q9k s GLU 111 Ca -0.20 -0.20 -0.00 0.00 -0.15 0.00 0.00 54.97 54.41 2q9k s GLU 111 Cb 0.05 0.27 0.02 0.00 -0.44 0.00 0.00 34.13 34.04 2q9k s GLU 111 CO 0.38 -0.16 -0.03 0.08 0.95 0.00 0.00 175.26 176.48 2q9k s VAL 112 N -1.25 0.59 -0.03 1.83 1.01 0.49 -1.39 120.40 121.66 2q9k s VAL 112 Ca -0.13 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 61.84 2q9k s VAL 112 Cb -0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 2q9k s VAL 112 CO 0.03 0.28 -0.18 -0.13 0.00 0.00 0.00 175.10 175.10 2q9k s ARG 113 N 1.57 1.60 -0.39 2.72 0.52 0.35 -0.71 118.95 124.60 2q9k s ARG 113 Ca -0.00 -0.63 -0.26 0.00 -0.52 0.00 0.00 55.73 54.31 2q9k s ARG 113 Cb -0.13 -1.47 0.02 0.00 0.52 0.00 0.00 34.95 33.88 2q9k s ARG 113 CO -0.04 0.33 0.96 0.34 0.02 0.00 0.00 175.30 176.91 2q9k s ASP 114 N -0.24 6.66 0.00 0.23 -1.08 -1.26 -0.71 116.67 120.27 2q9k s ASP 114 Ca 0.03 0.52 0.22 0.00 -0.52 0.00 0.00 52.55 52.79 2q9k s ASP 114 Cb -0.09 -2.48 0.28 0.00 -1.46 0.00 0.00 42.92 39.18 2q9k s ASP 114 CO 0.00 -0.94 1.27 2.30 0.52 0.00 0.00 175.17 178.33 2q9k n ILE 115 N 6.14 0.25 -2.46 4.11 -5.35 -0.24 -4.98 119.36 116.84 2q9k n ILE 115 Ca 0.08 -0.63 -0.36 0.00 -0.27 0.00 0.00 62.75 61.57 2q9k n ILE 115 Cb 0.48 1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 39.56 2q9k n ILE 115 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2q9k s LEU 116 N -1.62 4.04 0.73 7.28 2.96 -1.21 -5.00 118.68 125.87 2q9k s LEU 116 Ca 0.31 2.09 -0.13 0.00 -0.22 0.00 0.00 54.13 56.18 2q9k s LEU 116 Cb 0.20 -4.28 0.04 0.00 0.50 0.00 0.00 46.19 42.65 2q9k s LEU 116 CO 0.28 -0.67 1.13 0.72 -1.32 0.00 0.00 176.35 176.49 2q9k s PHE 117 N -1.69 2.39 0.32 5.38 -0.12 -1.26 -4.94 117.98 118.06 2q9k s PHE 117 Ca 0.61 1.59 -0.29 0.00 -0.05 0.00 0.00 56.93 58.79 2q9k s PHE 117 Cb -0.23 -3.21 -0.12 0.00 -0.63 0.00 0.00 43.02 38.84 2q9k s PHE 117 CO 0.28 -2.01 1.42 0.98 -0.05 0.00 0.00 175.22 175.84 2q9k n TYR 118 N -3.00 2.54 -0.85 3.49 9.36 -1.26 -3.62 117.16 123.82 2q9k n TYR 118 Ca 0.11 0.44 0.00 0.00 3.32 0.00 0.00 57.90 61.77 2q9k n TYR 118 Cb 0.52 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 2q9k n TYR 118 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2q9k n GLY 119 N 1.28 0.56 3.32 2.98 0.00 -1.26 -5.01 105.19 107.05 2q9k n GLY 119 Ca 0.06 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 2q9k n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q9k s ALA 120 N -2.00 1.78 0.03 4.61 0.00 -1.24 -5.16 121.76 119.78 2q9k s ALA 120 Ca 0.00 -1.71 -0.14 0.00 0.00 0.00 0.00 51.96 50.11 2q9k s ALA 120 Cb 0.00 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.49 2q9k s ALA 120 CO 0.00 -0.19 0.30 0.00 0.00 0.00 0.00 175.76 175.87 2q9k s ALA 121 N -3.36 -0.69 -0.46 0.00 0.00 -1.26 -4.93 121.76 111.06 2q9k s ALA 121 Ca 0.26 0.05 -0.23 0.00 0.00 0.00 0.00 51.96 52.04 2q9k s ALA 121 Cb 0.05 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.48 2q9k s ALA 121 CO 0.07 -0.39 0.79 0.08 0.00 0.00 0.00 175.76 176.31 2q9k s VAL 122 N -2.36 4.64 0.20 0.00 1.01 0.66 -4.92 120.40 119.62 2q9k s VAL 122 Ca -0.06 0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 2q9k s VAL 122 Cb -0.02 -4.33 -0.07 0.00 0.00 0.00 0.00 36.38 31.97 2q9k s VAL 122 CO -0.02 -0.75 1.50 0.77 0.00 0.00 0.00 175.10 176.60 2q9k h SER 123 N 9.00 0.48 -3.35 3.32 4.64 -1.97 -3.43 113.55 122.25 2q9k h SER 123 Ca -0.25 -0.28 -0.37 0.00 -0.47 0.00 0.00 61.79 60.42 2q9k h SER 123 Cb 1.09 -0.14 -0.38 0.00 -0.31 0.00 0.00 62.40 62.66 2q9k h SER 123 CO 0.97 0.98 -0.75 -1.81 -0.87 0.00 0.00 176.83 175.35 2q9k s ASP 124 N -6.93 1.00 0.71 4.97 1.01 -1.26 -5.12 116.67 111.06 2q9k s ASP 124 Ca -0.06 0.03 -0.11 0.00 0.71 0.00 0.00 52.55 53.12 2q9k s ASP 124 Cb 0.11 -0.20 0.02 0.00 1.01 0.00 0.00 42.92 43.86 2q9k s ASP 124 CO 0.83 -0.20 1.07 -0.13 0.21 0.00 0.00 175.17 176.95 2q9k s ARG 125 N 1.85 2.83 0.59 8.23 0.52 -1.26 -5.01 118.95 126.69 2q9k s ARG 125 Ca 0.01 0.69 -0.19 0.00 -0.52 0.00 0.00 55.73 55.72 2q9k s ARG 125 Cb -0.12 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 33.31 2q9k s ARG 125 CO -0.03 -1.10 1.25 -2.14 0.02 0.00 0.00 175.30 173.29 2q9k s PRO 126 N -5.19 2.95 -0.07 3.54 0.02 -1.26 -5.04 135.00 129.95 2q9k s PRO 126 Ca 0.58 1.95 0.05 0.00 0.02 0.00 0.00 61.00 63.60 2q9k s PRO 126 Cb -0.13 -1.99 -0.01 0.00 0.02 0.00 0.00 34.50 32.39 2q9k s PRO 126 CO 0.54 -1.25 -0.23 1.03 -0.33 0.00 0.00 177.00 176.75 2q9k s ARG 127 N -3.23 2.68 -0.04 5.54 0.52 -1.26 -4.94 118.95 118.21 2q9k s ARG 127 Ca 0.77 -0.87 0.07 0.00 -0.52 0.00 0.00 55.73 55.18 2q9k s ARG 127 Cb -0.34 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 32.89 2q9k s ARG 127 CO 0.37 0.36 -0.25 0.08 0.02 0.00 0.00 175.30 175.88 2q9k s VAL 128 N -0.10 2.10 0.22 3.52 1.01 -1.26 -5.15 120.40 120.73 2q9k s VAL 128 Ca -0.05 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 60.91 2q9k s VAL 128 Cb -0.14 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2q9k s VAL 128 CO 0.04 0.58 -0.07 -0.72 0.00 0.00 0.00 175.10 174.93 2q9k s TYR 129 N -0.40 1.62 -0.06 5.22 1.13 -1.26 -5.13 117.35 118.47 2q9k s TYR 129 Ca 0.03 -0.75 -0.23 0.00 -1.41 0.00 0.00 57.07 54.71 2q9k s TYR 129 Cb -0.12 -0.87 -0.04 0.00 -1.10 0.00 0.00 41.96 39.83 2q9k s TYR 129 CO 0.01 0.16 0.68 0.15 -2.51 0.00 0.00 175.55 174.04 2q9k s LYS 130 N -3.75 4.43 0.00 -3.49 -0.14 -1.26 -4.96 119.74 110.56 2q9k s LYS 130 Ca 0.25 0.85 0.23 0.00 -1.36 0.00 0.00 55.97 55.93 2q9k s LYS 130 Cb 0.03 -3.43 0.00 0.00 -1.68 0.00 0.00 37.83 32.75 2q9k s LYS 130 CO 0.07 0.11 1.10 0.25 -0.76 0.00 0.00 175.35 176.12 2q9k n THR 131 N 3.63 0.00 -3.71 2.17 -2.24 -1.26 -4.80 114.28 108.08 2q9k n THR 131 Ca -0.02 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.37 2q9k n THR 131 Cb 0.51 1.27 -0.12 0.00 -2.10 0.00 0.00 70.33 69.89 2q9k n THR 131 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2q9k s TYR 132 N -2.45 -0.49 -1.28 4.78 5.04 -1.26 -4.96 117.35 116.73 2q9k s TYR 132 Ca 0.19 1.07 -0.00 0.00 -2.44 0.00 0.00 57.07 55.88 2q9k s TYR 132 Cb 0.18 0.16 -0.00 0.00 0.35 0.00 0.00 41.96 42.65 2q9k s TYR 132 CO 0.56 -0.30 0.76 -0.25 -1.34 0.00 0.00 175.55 174.97 2q9k n ASP 133 N 4.34 -1.43 -0.10 4.32 9.92 -1.26 -4.79 116.55 127.55 2q9k n ASP 133 Ca -0.23 -0.78 -0.07 0.00 -0.53 0.00 0.00 54.79 53.17 2q9k n ASP 133 Cb 0.54 -4.26 0.00 0.00 -0.64 0.00 0.00 41.12 36.76 2q9k n ASP 133 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2q9k h GLU 134 N -1.86 0.34 -0.30 -1.24 4.81 -1.93 -0.19 114.58 114.21 2q9k h GLU 134 Ca -0.61 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.57 2q9k h GLU 134 Cb 1.35 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 2q9k h GLU 134 CO 0.55 0.23 0.07 0.00 -0.73 0.00 0.00 179.01 179.13 2q9k h ALA 135 N 1.17 0.39 -0.40 2.92 0.00 -1.98 -2.82 119.26 118.54 2q9k h ALA 135 Ca 0.14 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2q9k h ALA 135 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2q9k h ALA 135 CO -0.10 0.05 -0.28 0.00 0.00 0.00 0.00 179.25 178.93 2q9k h ALA 136 N 0.90 0.76 0.00 0.00 0.00 -1.88 -2.34 119.26 116.70 2q9k h ALA 136 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2q9k h ALA 136 Cb 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2q9k h ALA 136 CO 0.00 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.91 2q9k n ALA 137 N -2.51 1.58 0.00 0.00 0.00 -0.11 -0.89 120.51 118.59 2q9k n ALA 137 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2q9k n ALA 137 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2q9k n ALA 137 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2q9k n GLN 139 N 0.67 0.00 -0.22 0.00 7.27 -0.88 -1.47 117.38 122.75 2q9k n GLN 139 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 2q9k n GLN 139 Cb 0.10 0.00 0.04 0.00 2.41 0.00 0.00 30.24 32.78 2q9k n GLN 139 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2q9k h LEU 140 N 0.00 0.75 -0.69 1.69 5.85 -1.29 -0.77 115.31 120.85 2q9k h LEU 140 Ca 0.00 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.73 2q9k h LEU 140 Cb 0.00 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.77 2q9k h LEU 140 CO 0.00 0.61 0.34 0.44 -0.34 0.00 0.00 178.44 179.49 2q9k h ASP 141 N 0.82 0.45 -0.37 1.25 3.32 -1.52 -0.97 116.42 119.40 2q9k h ASP 141 Ca 0.22 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 2q9k h ASP 141 Cb 0.01 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2q9k h ASP 141 CO -0.04 0.27 -0.07 1.56 -1.72 0.00 0.00 179.24 179.24 2q9k h GLN 142 N 0.59 0.79 -0.47 3.56 1.08 -1.71 -0.33 115.11 118.63 2q9k h GLN 142 Ca 0.33 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2q9k h GLN 142 Cb 0.33 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 2q9k h GLN 142 CO -0.25 0.84 0.28 1.96 -0.95 0.00 0.00 178.83 180.71 2q9k h GLN 143 N 0.72 0.64 -0.57 1.46 4.20 -0.45 -0.10 115.11 121.02 2q9k h GLN 143 Ca 0.13 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 2q9k h GLN 143 Cb 0.54 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2q9k h GLN 143 CO 0.03 0.47 0.12 0.82 -0.67 0.00 0.00 178.83 179.60 2q9k h ILE 144 N 0.63 1.25 -0.65 2.54 1.08 -0.96 -2.30 117.51 119.10 2q9k h ILE 144 Ca 0.17 -0.93 0.03 0.00 -0.39 0.00 0.00 64.86 63.73 2q9k h ILE 144 Cb -0.01 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.46 2q9k h ILE 144 CO -0.03 0.34 0.40 -0.61 -0.69 0.00 0.00 178.15 177.56 2q9k h GLN 145 N 0.83 0.76 -0.95 2.37 5.75 -0.78 0.30 115.11 123.40 2q9k h GLN 145 Ca 0.18 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.63 2q9k h GLN 145 Cb 0.38 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.71 2q9k h GLN 145 CO 0.01 0.50 0.58 -0.44 -2.65 0.00 0.00 178.83 176.83 2q9k h ASP 146 N 0.78 1.13 -0.43 -0.69 3.32 -0.78 -0.43 116.42 119.33 2q9k h ASP 146 Ca 0.26 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 2q9k h ASP 146 Cb 0.02 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 2q9k h ASP 146 CO -0.10 0.86 -0.04 0.40 -1.72 0.00 0.00 179.24 178.64 2q9k h ILE 147 N 1.31 1.27 -0.45 0.35 2.04 -0.77 -2.40 117.51 118.86 2q9k h ILE 147 Ca 0.34 -1.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 2q9k h ILE 147 Cb -0.07 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2q9k h ILE 147 CO -0.07 0.37 0.00 -0.07 0.00 0.00 0.00 178.15 178.39 2q9k h LEU 148 N 0.61 0.70 0.00 1.44 3.38 -0.50 -2.77 115.31 118.16 2q9k h LEU 148 Ca 0.12 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2q9k h LEU 148 Cb 0.54 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2q9k h LEU 148 CO 0.03 0.77 -0.21 2.29 0.09 0.00 0.00 178.44 181.41 2q9k n LYS 149 N -4.23 0.24 0.00 1.13 2.85 -0.21 -4.95 118.16 112.99 2q9k n LYS 149 Ca 0.02 0.15 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 2q9k n LYS 149 Cb 0.29 -1.74 0.00 0.00 -0.65 0.00 0.00 35.03 32.93 2q9k n LYS 149 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76