#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q6k n GLN 2 N 0.00 1.31 -3.58 2.12 7.27 -1.26 -4.40 117.38 118.84 2q6k n GLN 2 Ca 0.00 0.47 -0.28 0.00 0.07 0.00 0.00 57.00 57.26 2q6k n GLN 2 Cb 0.00 -2.03 -0.11 0.00 2.41 0.00 0.00 30.24 30.51 2q6k n GLN 2 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 2q6k s HIS 3 N 0.04 1.82 -1.79 3.69 3.76 -0.29 -4.93 115.29 117.60 2q6k s HIS 3 Ca 0.76 -2.53 0.26 0.00 -0.15 0.00 0.00 55.06 53.39 2q6k s HIS 3 Cb -0.84 -1.53 1.44 0.00 1.11 0.00 0.00 32.58 32.76 2q6k s HIS 3 CO 0.50 -0.75 1.88 0.27 -0.85 0.00 0.00 174.74 175.78 2q6k n ASN 4 N 2.87 0.00 -4.42 1.40 0.23 -1.17 -4.41 115.26 109.76 2q6k n ASN 4 Ca 0.22 -0.53 -0.38 0.00 -0.53 0.00 0.00 54.58 53.35 2q6k n ASN 4 Cb 0.41 -0.11 -0.12 0.00 -2.08 0.00 0.00 39.78 37.89 2q6k n ASN 4 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2q6k s LEU 5 N -2.21 4.07 -0.25 -4.53 2.96 -1.12 0.65 118.68 118.25 2q6k s LEU 5 Ca 0.33 -0.57 -0.07 0.00 -0.22 0.00 0.00 54.13 53.60 2q6k s LEU 5 Cb 0.17 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 2q6k s LEU 5 CO 0.33 -0.20 0.07 -0.63 -1.32 0.00 0.00 176.35 174.60 2q6k s ILE 6 N 1.59 4.31 -0.22 6.68 1.01 0.47 -0.16 121.20 134.88 2q6k s ILE 6 Ca 0.04 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.43 2q6k s ILE 6 Cb -0.17 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 2q6k s ILE 6 CO 0.05 0.33 0.08 0.00 0.00 0.00 0.00 174.94 175.41 2q6k s ALA 7 N 1.61 3.35 -0.14 9.38 0.00 -0.06 -0.72 121.76 135.18 2q6k s ALA 7 Ca 0.06 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.12 2q6k s ALA 7 Cb -0.15 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 20.94 2q6k s ALA 7 CO 0.04 -0.13 -0.16 0.12 0.00 0.00 0.00 175.76 175.63 2q6k s PHE 8 N 0.95 2.22 0.01 0.00 5.36 -0.14 -0.33 117.98 126.04 2q6k s PHE 8 Ca 0.04 -1.20 0.06 0.00 -0.96 0.00 0.00 56.93 54.87 2q6k s PHE 8 Cb -0.14 -1.60 -0.02 0.00 -0.34 0.00 0.00 43.02 40.92 2q6k s PHE 8 CO 0.03 -0.63 -0.17 -1.17 -1.46 0.00 0.00 175.22 171.81 2q6k s LEU 9 N 1.29 2.09 0.00 6.12 0.20 -0.16 -0.01 118.68 128.21 2q6k s LEU 9 Ca 0.01 -0.39 -0.13 0.00 0.69 0.00 0.00 54.13 54.32 2q6k s LEU 9 Cb -0.14 -0.86 0.05 0.00 -0.43 0.00 0.00 46.19 44.82 2q6k s LEU 9 CO -0.08 0.17 0.73 -1.54 -0.29 0.00 0.00 176.35 175.34 2q6k n SER 10 N 2.33 -2.13 -0.95 3.68 3.41 -0.82 -1.34 113.62 117.80 2q6k n SER 10 Ca -0.16 -2.60 0.08 0.00 -0.26 0.00 0.00 58.87 55.92 2q6k n SER 10 Cb 0.54 3.59 0.24 0.00 -0.26 0.00 0.00 64.21 68.32 2q6k n SER 10 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2q6k n ASP 11 N -1.54 3.70 -0.16 4.04 5.75 -1.19 -3.26 116.55 123.89 2q6k n ASP 11 Ca -0.07 -2.48 0.14 0.00 -0.01 0.00 0.00 54.79 52.36 2q6k n ASP 11 Cb 0.58 -0.43 0.57 0.00 -1.03 0.00 0.00 41.12 40.81 2q6k n ASP 11 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2q6k n VAL 12 N 0.26 0.00 -0.28 2.12 0.24 -1.22 -4.59 118.33 114.87 2q6k n VAL 12 Ca 0.18 -0.09 0.04 0.00 -2.04 0.00 0.00 64.34 62.43 2q6k n VAL 12 Cb 0.71 0.04 -0.01 0.00 -1.47 0.00 0.00 33.84 33.10 2q6k n VAL 12 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2q6k n GLY 13 N 1.28 -2.21 0.43 7.63 0.00 0.73 -4.75 105.19 108.30 2q6k n GLY 13 Ca 0.15 -1.41 0.06 0.00 0.00 0.00 0.00 46.02 44.81 2q6k n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2q6k n SER 14 N -2.78 2.85 -0.33 1.61 3.41 -1.26 -4.44 113.62 112.67 2q6k n SER 14 Ca -0.01 -2.52 0.12 0.00 -0.26 0.00 0.00 58.87 56.20 2q6k n SER 14 Cb 0.13 -0.31 0.26 0.00 -0.26 0.00 0.00 64.21 64.03 2q6k n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2q6k n ALA 15 N -0.44 3.23 -3.12 7.33 0.00 -1.26 -4.91 120.51 121.34 2q6k n ALA 15 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2q6k n ALA 15 Cb 0.56 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2q6k n ALA 15 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2q6k n ASP 16 N -0.43 0.25 0.00 0.00 5.68 -1.26 -5.07 116.55 115.72 2q6k n ASP 16 Ca 0.11 -0.94 0.14 0.00 -0.50 0.00 0.00 54.79 53.60 2q6k n ASP 16 Cb 0.39 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 40.92 2q6k n ASP 16 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2q6k n GLU 17 N 0.00 0.00 -0.07 0.11 0.00 -1.26 -4.38 120.64 115.04 2q6k n GLU 17 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.08 2q6k n GLU 17 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 29.92 2q6k n GLU 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2q6k h ALA 18 N 3.00 -0.14 -0.23 -1.84 0.00 -1.91 0.53 119.26 118.66 2q6k h ALA 18 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2q6k h ALA 18 Cb 0.50 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2q6k h ALA 18 CO 0.00 -0.68 0.02 1.12 0.00 0.00 0.00 179.25 179.71 2q6k h HIS 19 N -0.25 0.34 -0.13 0.00 2.07 -1.78 -2.49 115.15 112.91 2q6k h HIS 19 Ca 0.15 -0.02 -0.18 0.00 -2.85 0.00 0.00 60.37 57.48 2q6k h HIS 19 Cb 0.49 -0.10 -0.00 0.00 2.57 0.00 0.00 27.41 30.36 2q6k h HIS 19 CO -0.44 0.33 -0.66 0.00 -3.07 0.00 0.00 177.93 174.10 2q6k h ALA 20 N 1.70 0.62 -0.69 6.11 0.00 -1.25 -2.86 119.26 122.89 2q6k h ALA 20 Ca 0.08 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2q6k h ALA 20 Cb 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2q6k h ALA 20 CO 0.00 0.72 0.41 -0.07 0.00 0.00 0.00 179.25 180.31 2q6k h LEU 21 N 0.36 0.82 -0.80 0.00 3.38 -0.55 0.77 115.31 119.29 2q6k h LEU 21 Ca -0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2q6k h LEU 21 Cb 1.22 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 2q6k h LEU 21 CO 0.12 0.64 0.47 0.00 0.09 0.00 0.00 178.44 179.75 2q6k h LYS 23 N 1.11 1.07 -0.42 0.00 1.57 -1.09 -1.19 116.57 117.62 2q6k h LYS 23 Ca 0.29 -0.30 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2q6k h LYS 23 Cb -0.01 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.12 2q6k h LYS 23 CO -0.05 1.01 0.07 0.78 -0.57 0.00 0.00 179.45 180.68 2q6k h GLY 24 N 0.98 0.49 0.96 3.86 0.00 -0.41 0.25 103.07 109.19 2q6k h GLY 24 Ca 0.19 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.52 2q6k h GLY 24 CO 0.02 -0.06 0.36 -2.08 0.00 0.00 0.00 176.54 174.78 2q6k h VAL 25 N 0.19 1.12 -0.28 4.60 2.07 -0.99 -1.60 116.25 121.36 2q6k h VAL 25 Ca 0.21 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 2q6k h VAL 25 Cb 0.27 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2q6k h VAL 25 CO -0.29 0.13 -0.07 0.24 0.02 0.00 0.00 177.57 177.61 2q6k h MET 26 N 0.72 0.54 -0.21 1.57 2.07 -0.56 -2.34 114.93 116.72 2q6k h MET 26 Ca 0.21 -0.21 -0.02 0.00 -2.07 0.00 0.00 59.70 57.61 2q6k h MET 26 Cb -0.05 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 29.63 2q6k h MET 26 CO -0.06 0.74 0.02 1.88 1.07 0.00 0.00 176.91 180.57 2q6k h TYR 27 N 0.30 0.29 -0.61 -0.22 0.05 -0.43 0.11 116.97 116.46 2q6k h TYR 27 Ca 0.07 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 2q6k h TYR 27 Cb 0.55 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 2q6k h TYR 27 CO 0.05 0.29 0.22 0.78 -1.05 0.00 0.00 178.16 178.45 2q6k h GLY 28 N 0.54 1.01 1.19 3.88 0.00 -0.94 -2.85 103.07 105.90 2q6k h GLY 28 Ca 0.07 -0.57 -0.33 0.00 0.00 0.00 0.00 47.33 46.50 2q6k h GLY 28 CO 0.00 0.54 -1.43 -2.08 0.00 0.00 0.00 176.54 173.57 2q6k h VAL 29 N 0.87 1.29 -2.57 4.60 2.07 -0.99 -3.40 116.25 118.11 2q6k h VAL 29 Ca 0.20 -2.68 -0.60 0.00 0.82 0.00 0.00 66.70 64.44 2q6k h VAL 29 Cb 0.25 3.06 -0.41 0.00 -1.52 0.00 0.00 31.29 32.67 2q6k h VAL 29 CO -0.01 0.80 -0.70 0.00 0.02 0.00 0.00 177.57 177.68 2q6k n ALA 30 N -2.72 3.43 0.29 1.67 0.00 0.35 -4.90 120.51 118.64 2q6k n ALA 30 Ca -0.17 -4.26 0.07 0.00 0.00 0.00 0.00 53.44 49.08 2q6k n ALA 30 Cb 1.08 -0.92 0.33 0.00 0.00 0.00 0.00 19.45 19.94 2q6k n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2q6k n PRO 31 N 1.69 0.07 0.00 0.00 -0.04 -1.08 -1.83 135.00 133.81 2q6k n PRO 31 Ca 0.25 0.42 0.13 0.00 -0.04 0.00 0.00 63.50 64.26 2q6k n PRO 31 Cb 0.41 -1.67 0.40 0.00 -0.04 0.00 0.00 33.50 32.60 2q6k n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2q6k n ALA 32 N -1.62 3.07 -2.24 0.55 0.00 -1.26 -4.96 120.51 114.05 2q6k n ALA 32 Ca 0.01 -0.37 -0.34 0.00 0.00 0.00 0.00 53.44 52.74 2q6k n ALA 32 Cb 0.12 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 2q6k n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2q6k s ALA 33 N -2.56 3.46 -0.18 0.00 0.00 -0.76 -4.90 121.76 116.81 2q6k s ALA 33 Ca 0.23 -0.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.06 2q6k s ALA 33 Cb 0.19 -2.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 2q6k s ALA 33 CO 0.53 0.40 0.14 0.99 0.00 0.00 0.00 175.76 177.82 2q6k s THR 34 N -1.71 5.42 -0.18 0.00 2.01 0.21 -5.00 115.64 116.39 2q6k s THR 34 Ca 0.46 0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.64 2q6k s THR 34 Cb -0.13 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 2q6k s THR 34 CO 0.19 0.47 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.92 2q6k s ILE 35 N 0.09 3.56 -0.06 1.82 1.01 -1.26 -0.40 121.20 125.96 2q6k s ILE 35 Ca 0.10 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.32 2q6k s ILE 35 Cb -0.11 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.79 2q6k s ILE 35 CO -0.01 0.46 -0.16 0.54 0.00 0.00 0.00 174.94 175.77 2q6k s VAL 36 N 0.85 1.42 0.30 2.92 0.11 0.10 -4.98 120.40 121.12 2q6k s VAL 36 Ca -0.01 -0.67 -0.28 0.00 -2.93 0.00 0.00 61.98 58.08 2q6k s VAL 36 Cb -0.15 -1.25 -0.09 0.00 -1.53 0.00 0.00 36.38 33.36 2q6k s VAL 36 CO 0.01 0.41 1.08 -1.81 -3.33 0.00 0.00 175.10 171.47 2q6k s ASP 37 N 0.34 7.17 -0.01 3.54 1.01 -1.26 -0.97 116.67 126.50 2q6k s ASP 37 Ca -0.11 2.21 -0.00 0.00 0.71 0.00 0.00 52.55 55.36 2q6k s ASP 37 Cb -0.14 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.17 2q6k s ASP 37 CO 0.04 -0.21 -0.00 0.40 0.21 0.00 0.00 175.17 175.61 2q6k h ILE 38 N 2.91 0.00 -2.15 0.77 2.04 -0.76 -3.44 117.51 116.88 2q6k h ILE 38 Ca -0.47 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.36 2q6k h ILE 38 Cb 1.21 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.12 2q6k h ILE 38 CO 0.66 0.00 0.39 0.28 0.00 0.00 0.00 178.15 179.48 2q6k s THR 39 N -1.05 0.00 -0.93 -0.27 -1.32 -1.23 -5.03 115.64 105.80 2q6k s THR 39 Ca -0.00 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.58 2q6k s THR 39 Cb 0.00 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.27 2q6k s THR 39 CO 0.00 0.00 1.21 1.41 -2.21 0.00 0.00 174.62 175.04 2q6k n HIS 40 N 0.25 0.41 -0.75 9.09 8.25 -1.26 -1.94 115.22 129.27 2q6k n HIS 40 Ca -0.13 -0.46 0.04 0.00 -0.26 0.00 0.00 57.72 56.91 2q6k n HIS 40 Cb 0.60 -0.03 0.35 0.00 1.12 0.00 0.00 29.99 32.04 2q6k n HIS 40 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2q6k n ASP 41 N 0.49 5.17 -4.69 0.41 8.00 -1.25 -0.20 116.55 124.48 2q6k n ASP 41 Ca 0.11 -2.91 -0.44 0.00 0.71 0.00 0.00 54.79 52.26 2q6k n ASP 41 Cb 0.41 -0.68 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 2q6k n ASP 41 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2q6k n VAL 42 N 0.42 1.07 -1.69 2.53 0.31 -1.20 -4.91 118.33 114.87 2q6k n VAL 42 Ca 0.28 -0.27 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 2q6k n VAL 42 Cb 1.16 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 2q6k n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2q6k n ALA 43 N 1.82 1.11 -1.65 3.52 0.00 -1.26 -4.51 120.51 119.54 2q6k n ALA 43 Ca 0.10 0.30 -0.47 0.00 0.00 0.00 0.00 53.44 53.37 2q6k n ALA 43 Cb 0.33 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.51 2q6k n ALA 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2q6k n PRO 44 N 0.27 1.89 -0.80 0.00 -0.04 -1.26 -1.29 135.00 133.77 2q6k n PRO 44 Ca 0.06 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 2q6k n PRO 44 Cb 0.38 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 2q6k n PRO 44 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2q6k n PHE 45 N 2.95 0.00 -2.81 0.54 3.72 -1.26 -4.91 117.46 115.68 2q6k n PHE 45 Ca 0.16 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.13 2q6k n PHE 45 Cb 0.27 -0.99 -0.00 0.00 -0.94 0.00 0.00 39.48 37.82 2q6k n PHE 45 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2q6k s ASP 46 N -2.28 6.96 0.25 4.37 -1.08 -0.41 -4.81 116.67 119.67 2q6k s ASP 46 Ca 0.00 -2.73 -0.04 0.00 -0.52 0.00 0.00 52.55 49.26 2q6k s ASP 46 Cb 0.00 -2.47 0.35 0.00 -1.46 0.00 0.00 42.92 39.35 2q6k s ASP 46 CO 0.00 -0.92 1.88 0.58 0.52 0.00 0.00 175.17 177.23 2q6k h VAL 47 N 5.07 1.10 -0.51 1.11 2.07 -1.88 -1.84 116.25 121.37 2q6k h VAL 47 Ca 0.35 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 2q6k h VAL 47 Cb 0.88 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2q6k h VAL 47 CO 1.32 0.21 0.14 -0.09 0.02 0.00 0.00 177.57 179.17 2q6k h ARG 48 N 1.13 0.80 -0.25 1.57 2.43 -1.93 0.10 114.38 118.23 2q6k h ARG 48 Ca 0.40 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2q6k h ARG 48 Cb 0.12 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2q6k h ARG 48 CO -0.16 0.75 0.15 1.49 -1.51 0.00 0.00 179.97 180.70 2q6k h GLU 49 N 0.70 0.35 -0.71 0.20 4.81 -1.87 -0.64 114.58 117.42 2q6k h GLU 49 Ca 0.16 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.42 2q6k h GLU 49 Cb 0.30 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 2q6k h GLU 49 CO -0.00 0.29 0.40 0.78 -0.73 0.00 0.00 179.01 179.74 2q6k h GLY 50 N 0.31 1.05 1.01 1.92 0.00 -1.11 -1.32 103.07 104.92 2q6k h GLY 50 Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2q6k h GLY 50 CO -0.02 0.15 0.43 0.00 0.00 0.00 0.00 176.54 177.11 2q6k h ALA 51 N 1.37 0.94 -0.68 3.60 0.00 -0.37 -2.13 119.26 121.99 2q6k h ALA 51 Ca 0.32 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2q6k h ALA 51 Cb 0.22 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2q6k h ALA 51 CO -0.20 0.42 0.23 -0.07 0.00 0.00 0.00 179.25 179.63 2q6k h LEU 52 N 1.00 0.97 -1.80 0.00 3.38 -0.63 -2.61 115.31 115.62 2q6k h LEU 52 Ca 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2q6k h LEU 52 Cb -0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 2q6k h LEU 52 CO -0.05 0.91 -0.15 -0.26 0.09 0.00 0.00 178.44 178.98 2q6k h PHE 53 N 0.99 0.00 0.00 1.13 0.04 -0.76 -2.60 116.94 115.74 2q6k h PHE 53 Ca 0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.99 2q6k h PHE 53 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 2q6k h PHE 53 CO 0.02 0.15 -0.43 1.28 -0.60 0.00 0.00 178.31 178.73 2q6k n LEU 54 N -3.97 0.70 -0.22 1.54 4.77 -0.85 -4.46 117.00 114.51 2q6k n LEU 54 Ca -0.02 0.32 0.02 0.00 -0.03 0.00 0.00 56.01 56.30 2q6k n LEU 54 Cb 0.24 -0.23 0.13 0.00 -2.33 0.00 0.00 43.42 41.23 2q6k n LEU 54 CO 0.33 -0.08 0.91 0.00 -1.33 0.00 0.00 177.39 177.22 2q6k h ALA 55 N 2.55 0.77 -0.36 -1.18 0.00 -1.23 -1.65 119.26 118.16 2q6k h ALA 55 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2q6k h ALA 55 Cb 0.72 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2q6k h ALA 55 CO 0.00 -0.33 0.00 -3.47 0.00 0.00 0.00 179.25 175.45 2q6k n ASP 56 N -5.17 2.90 -0.01 0.00 2.03 -1.26 -4.40 116.55 110.63 2q6k n ASP 56 Ca 0.11 -1.92 -0.12 0.00 0.52 0.00 0.00 54.79 53.37 2q6k n ASP 56 Cb 0.37 -0.24 -0.07 0.00 -0.72 0.00 0.00 41.12 40.46 2q6k n ASP 56 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2q6k h VAL 57 N 3.65 1.22 -0.68 5.18 2.07 -1.54 -2.69 116.25 123.46 2q6k h VAL 57 Ca 0.00 -0.68 0.12 0.00 0.82 0.00 0.00 66.70 66.96 2q6k h VAL 57 Cb 0.81 1.56 -0.09 0.00 -1.52 0.00 0.00 31.29 32.05 2q6k h VAL 57 CO 0.00 0.19 0.23 -0.65 0.02 0.00 0.00 177.57 177.36 2q6k h PRO 58 N -0.15 0.37 -0.60 1.57 0.11 -1.77 -1.35 132.00 130.19 2q6k h PRO 58 Ca 0.02 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 2q6k h PRO 58 Cb 0.29 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 2q6k h PRO 58 CO 0.00 0.25 0.06 1.25 -0.21 0.00 0.00 178.00 179.35 2q6k h HIS 59 N 0.38 1.10 0.00 0.65 -0.00 -1.85 -3.22 115.15 112.22 2q6k h HIS 59 Ca 0.36 -0.17 -0.03 0.00 -0.00 0.00 0.00 60.37 60.53 2q6k h HIS 59 Cb 0.52 -0.29 -0.00 0.00 -0.00 0.00 0.00 27.41 27.63 2q6k h HIS 59 CO -0.19 0.96 -0.16 0.77 -0.00 0.00 0.00 177.93 179.30 2q6k h SER 60 N 0.92 0.00 -2.98 3.26 0.02 -1.08 -3.45 113.55 110.23 2q6k h SER 60 Ca 0.18 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.50 2q6k h SER 60 Cb 0.48 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 2q6k h SER 60 CO 0.02 0.16 -0.53 -0.36 -1.14 0.00 0.00 176.83 174.98 2q6k s PHE 61 N -3.17 3.42 1.01 3.45 0.08 -0.55 -5.10 117.98 117.11 2q6k s PHE 61 Ca 0.06 0.19 -0.13 0.00 0.12 0.00 0.00 56.93 57.17 2q6k s PHE 61 Cb 0.06 -1.71 0.19 0.00 -0.57 0.00 0.00 43.02 40.99 2q6k s PHE 61 CO 0.69 0.57 1.10 -1.25 -0.10 0.00 0.00 175.22 176.23 2q6k s PRO 62 N -2.50 0.33 0.50 0.24 0.04 -1.26 -4.89 135.00 127.47 2q6k s PRO 62 Ca 0.33 0.41 0.24 0.00 0.04 0.00 0.00 61.00 62.02 2q6k s PRO 62 Cb -0.13 -1.74 1.32 0.00 0.04 0.00 0.00 34.50 34.00 2q6k s PRO 62 CO 0.26 -2.77 2.04 0.00 0.04 0.00 0.00 177.00 176.57 2q6k h ALA 63 N -1.92 1.35 -0.23 8.56 0.00 -1.92 -2.86 119.26 122.23 2q6k h ALA 63 Ca -0.54 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 2q6k h ALA 63 Cb 1.33 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 2q6k h ALA 63 CO 0.57 0.18 0.10 -2.39 0.00 0.00 0.00 179.25 177.72 2q6k n HIS 64 N -3.77 0.75 -3.59 0.00 1.44 -1.26 -3.27 115.22 105.52 2q6k n HIS 64 Ca -0.02 -0.59 -0.38 0.00 -2.01 0.00 0.00 57.72 54.73 2q6k n HIS 64 Cb 0.25 -0.35 -0.06 0.00 0.12 0.00 0.00 29.99 29.95 2q6k n HIS 64 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2q6k s THR 65 N -1.18 5.18 -0.27 0.61 2.01 -1.08 -2.80 115.64 118.11 2q6k s THR 65 Ca 0.16 0.66 -0.09 0.00 0.31 0.00 0.00 61.69 62.72 2q6k s THR 65 Cb 0.13 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 2q6k s THR 65 CO 0.04 0.56 0.13 -0.69 -0.69 0.00 0.00 174.62 173.97 2q6k s VAL 66 N -0.81 4.79 -0.50 3.82 1.01 0.78 -1.82 120.40 127.67 2q6k s VAL 66 Ca 0.21 -0.06 -0.23 0.00 0.00 0.00 0.00 61.98 61.90 2q6k s VAL 66 Cb -0.15 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 32.97 2q6k s VAL 66 CO 0.10 0.26 0.84 -0.63 0.00 0.00 0.00 175.10 175.67 2q6k s ILE 67 N 1.68 4.56 -0.35 2.22 1.01 0.92 -0.88 121.20 130.37 2q6k s ILE 67 Ca 0.06 0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.90 2q6k s ILE 67 Cb -0.16 -4.41 0.02 0.00 0.01 0.00 0.00 42.46 37.92 2q6k s ILE 67 CO 0.07 -0.89 0.17 0.00 0.00 0.00 0.00 174.94 174.29 2q6k s ALA 69 N 1.55 0.23 -0.06 0.00 0.00 -0.46 -0.99 121.76 122.02 2q6k s ALA 69 Ca 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 2q6k s ALA 69 Cb -0.18 -0.20 0.04 0.00 0.00 0.00 0.00 23.12 22.78 2q6k s ALA 69 CO 0.06 -0.03 0.12 1.52 0.00 0.00 0.00 175.76 177.43 2q6k s TYR 70 N 0.58 -0.11 -0.28 0.00 1.13 -0.45 -4.01 117.35 114.21 2q6k s TYR 70 Ca -0.06 0.43 -0.01 0.00 -1.41 0.00 0.00 57.07 56.02 2q6k s TYR 70 Cb -0.08 -0.19 0.09 0.00 -1.10 0.00 0.00 41.96 40.67 2q6k s TYR 70 CO -0.01 -0.18 0.07 0.08 -2.51 0.00 0.00 175.55 173.00 2q6k s VAL 71 N 1.51 0.86 -0.42 -3.49 1.01 -1.26 -3.18 120.40 115.43 2q6k s VAL 71 Ca -0.05 -1.20 0.11 0.00 0.00 0.00 0.00 61.98 60.84 2q6k s VAL 71 Cb -0.12 -1.54 0.35 0.00 0.00 0.00 0.00 36.38 35.07 2q6k s VAL 71 CO -0.05 -0.52 0.79 0.00 0.00 0.00 0.00 175.10 175.32 2q6k n TYR 72 N 4.88 1.13 0.26 5.22 -0.00 -1.26 -4.85 117.16 122.53 2q6k n TYR 72 Ca -0.04 -3.82 0.10 0.00 -0.00 0.00 0.00 57.90 54.14 2q6k n TYR 72 Cb 0.43 -0.43 0.49 0.00 -0.00 0.00 0.00 39.34 39.84 2q6k n TYR 72 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 2q6k n PRO 73 N 0.14 0.14 -0.19 2.98 -0.04 -1.26 -1.06 135.00 135.71 2q6k n PRO 73 Ca 0.26 0.53 0.06 0.00 -0.04 0.00 0.00 63.50 64.30 2q6k n PRO 73 Cb 0.60 -1.87 0.16 0.00 -0.04 0.00 0.00 33.50 32.36 2q6k n PRO 73 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2q6k n GLU 74 N -2.16 1.87 -1.60 0.54 4.71 -1.26 -4.96 120.64 117.78 2q6k n GLU 74 Ca 0.00 -1.33 -0.47 0.00 -0.01 0.00 0.00 57.16 55.36 2q6k n GLU 74 Cb 0.11 -1.30 -0.03 0.00 -1.01 0.00 0.00 31.44 29.22 2q6k n GLU 74 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 2q6k n THR 75 N 0.57 1.19 -1.05 2.62 5.66 -0.22 -2.10 114.28 120.96 2q6k n THR 75 Ca 0.12 -0.30 -0.02 0.00 -3.05 0.00 0.00 64.05 60.81 2q6k n THR 75 Cb 0.32 -1.02 -0.01 0.00 -1.55 0.00 0.00 70.33 68.07 2q6k n THR 75 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2q6k n GLY 76 N 1.83 0.53 0.00 1.09 0.00 -0.72 -4.74 105.19 103.18 2q6k n GLY 76 Ca 0.13 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2q6k n GLY 76 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2q6k n THR 77 N -2.87 0.00 0.60 2.61 -2.24 -0.89 -5.03 114.28 106.47 2q6k n THR 77 Ca -0.02 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 2q6k n THR 77 Cb 0.10 -0.15 0.43 0.00 -2.10 0.00 0.00 70.33 68.61 2q6k n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q6k n ALA 78 N -3.00 1.88 -2.48 6.98 0.00 -1.26 -4.68 120.51 117.95 2q6k n ALA 78 Ca 0.00 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 2q6k n ALA 78 Cb 0.00 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 2q6k n ALA 78 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2q6k s THR 79 N -3.09 4.15 0.67 0.00 -1.32 -1.26 -4.98 115.64 109.81 2q6k s THR 79 Ca 0.08 1.24 -0.11 0.00 -1.21 0.00 0.00 61.69 61.69 2q6k s THR 79 Cb 0.12 -4.34 -0.01 0.00 -1.51 0.00 0.00 72.50 66.76 2q6k s THR 79 CO 0.39 -0.71 1.06 -1.00 -2.21 0.00 0.00 174.62 172.16 2q6k s HIS 80 N 4.58 3.43 0.20 9.09 3.76 -1.26 -4.80 115.29 130.29 2q6k s HIS 80 Ca 0.54 1.18 -0.20 0.00 -0.15 0.00 0.00 55.06 56.42 2q6k s HIS 80 Cb -0.12 -2.90 -0.08 0.00 1.11 0.00 0.00 32.58 30.58 2q6k s HIS 80 CO 0.27 -0.98 0.72 0.99 -0.85 0.00 0.00 174.74 174.89 2q6k s THR 81 N -3.26 4.55 0.14 1.30 2.01 -1.26 -0.56 115.64 118.58 2q6k s THR 81 Ca 0.57 1.34 0.10 0.00 0.31 0.00 0.00 61.69 64.01 2q6k s THR 81 Cb -0.11 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 2q6k s THR 81 CO 0.53 0.29 -0.23 0.27 -0.69 0.00 0.00 174.62 174.78 2q6k s ILE 82 N -1.43 2.09 -0.07 1.82 -4.36 0.52 -0.59 121.20 119.18 2q6k s ILE 82 Ca 0.41 -1.80 0.04 0.00 -0.26 0.00 0.00 60.65 59.03 2q6k s ILE 82 Cb -0.18 -1.90 0.00 0.00 1.25 0.00 0.00 42.46 41.63 2q6k s ILE 82 CO 0.22 -0.06 -0.20 0.00 0.24 0.00 0.00 174.94 175.14 2q6k s ALA 83 N -1.39 1.79 -0.01 2.27 0.00 0.14 -1.96 121.76 122.61 2q6k s ALA 83 Ca 0.14 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.36 2q6k s ALA 83 Cb -0.09 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2q6k s ALA 83 CO 0.07 0.26 -0.11 0.08 0.00 0.00 0.00 175.76 176.06 2q6k s VAL 84 N 0.27 0.89 -0.21 0.00 1.01 0.45 -0.89 120.40 121.91 2q6k s VAL 84 Ca -0.12 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 2q6k s VAL 84 Cb -0.15 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2q6k s VAL 84 CO 0.05 0.25 0.09 -0.60 0.00 0.00 0.00 175.10 174.90 2q6k s ARG 85 N -0.19 3.93 0.68 2.72 3.52 -0.23 -0.32 118.95 129.05 2q6k s ARG 85 Ca 0.03 -0.35 0.03 0.00 -0.13 0.00 0.00 55.73 55.30 2q6k s ARG 85 Cb -0.05 -3.33 0.12 0.00 -1.56 0.00 0.00 34.95 30.13 2q6k s ARG 85 CO -0.00 0.11 0.93 0.54 -0.81 0.00 0.00 175.30 176.07 2q6k s ASN 86 N 0.84 4.57 0.52 -2.12 2.20 -0.45 -0.43 114.94 120.06 2q6k s ASN 86 Ca 0.05 -0.55 0.28 0.00 -0.94 0.00 0.00 52.86 51.69 2q6k s ASN 86 Cb -0.13 0.13 1.41 0.00 -2.00 0.00 0.00 41.25 40.66 2q6k s ASN 86 CO 0.02 -1.71 2.05 -0.33 -2.94 0.00 0.00 177.10 174.19 2q6k h GLU 87 N -0.30 0.00 0.00 3.55 5.08 -1.50 -1.53 114.58 119.87 2q6k h GLU 87 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2q6k h GLU 87 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2q6k h GLU 87 CO 0.40 0.12 0.00 -0.22 -1.00 0.00 0.00 179.01 178.31 2q6k h LYS 88 N 0.00 0.00 0.00 2.33 3.64 -1.90 -3.47 116.57 117.17 2q6k h LYS 88 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2q6k h LYS 88 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2q6k h LYS 88 CO 0.02 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.61 2q6k n GLY 89 N 0.94 0.54 3.82 5.01 0.00 -0.57 -4.76 105.19 110.16 2q6k n GLY 89 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2q6k n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2q6k s GLN 90 N -0.98 2.92 0.07 1.61 -0.21 -1.20 -4.79 119.66 117.08 2q6k s GLN 90 Ca 0.00 0.95 0.06 0.00 0.02 0.00 0.00 55.36 56.39 2q6k s GLN 90 Cb 0.00 -1.99 -0.04 0.00 1.00 0.00 0.00 33.01 31.98 2q6k s GLN 90 CO 0.00 -1.11 -0.08 -0.51 -2.12 0.00 0.00 175.29 171.47 2q6k s LEU 91 N -5.55 3.11 -0.01 2.90 1.43 -0.76 -1.35 118.68 118.44 2q6k s LEU 91 Ca 0.58 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2q6k s LEU 91 Cb -0.14 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2q6k s LEU 91 CO 0.55 0.21 -0.07 -0.76 0.23 0.00 0.00 176.35 176.52 2q6k s LEU 92 N -1.93 1.86 -0.05 1.79 1.02 0.57 -0.05 118.68 121.88 2q6k s LEU 92 Ca 0.20 -0.13 0.01 0.00 0.02 0.00 0.00 54.13 54.23 2q6k s LEU 92 Cb -0.11 -0.40 0.02 0.00 0.02 0.00 0.00 46.19 45.72 2q6k s LEU 92 CO 0.12 0.06 -0.06 -0.69 0.02 0.00 0.00 176.35 175.79 2q6k s VAL 93 N 0.08 0.66 0.05 -1.59 1.01 0.02 -0.41 120.40 120.22 2q6k s VAL 93 Ca -0.01 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 2q6k s VAL 93 Cb -0.06 -0.66 0.10 0.00 0.00 0.00 0.00 36.38 35.76 2q6k s VAL 93 CO -0.00 0.25 1.17 -0.83 0.00 0.00 0.00 175.10 175.69 2q6k s GLY 94 N 0.80 -0.31 0.44 4.51 0.00 -0.83 -1.36 107.32 110.57 2q6k s GLY 94 Ca -0.12 0.42 -0.25 0.00 0.00 0.00 0.00 44.72 44.77 2q6k s GLY 94 CO 0.01 0.50 1.34 2.56 0.00 0.00 0.00 173.10 177.51 2q6k s PRO 95 N -2.66 3.78 -1.42 2.90 0.04 -1.26 -0.36 135.00 136.03 2q6k s PRO 95 Ca 0.15 2.23 -0.11 0.00 0.04 0.00 0.00 61.00 63.31 2q6k s PRO 95 Cb 0.02 -2.65 0.07 0.00 0.04 0.00 0.00 34.50 31.98 2q6k s PRO 95 CO -0.01 -0.67 2.25 -1.71 0.04 0.00 0.00 177.00 176.89 2q6k n ASN 96 N -0.13 5.38 -0.09 6.66 5.15 0.28 -4.35 115.26 128.16 2q6k n ASN 96 Ca 0.05 -2.91 0.01 0.00 -0.60 0.00 0.00 54.58 51.13 2q6k n ASN 96 Cb 0.43 -1.56 0.02 0.00 -0.53 0.00 0.00 39.78 38.14 2q6k n ASN 96 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2q6k n ASN 97 N 4.60 0.89 0.00 1.20 0.23 -1.26 -4.63 115.26 116.28 2q6k n ASN 97 Ca 0.53 -1.73 0.00 0.00 -0.53 0.00 0.00 54.58 52.85 2q6k n ASN 97 Cb 0.34 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 2q6k n ASN 97 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2q6k n GLY 98 N -0.33 0.85 0.33 4.83 0.00 -1.23 -4.94 105.19 104.71 2q6k n GLY 98 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 2q6k n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2q6k h LEU 99 N 0.00 0.72 -0.69 0.99 5.85 -1.83 -1.63 115.31 118.72 2q6k h LEU 99 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2q6k h LEU 99 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2q6k h LEU 99 CO 0.00 0.34 0.00 0.18 -0.34 0.00 0.00 178.44 178.62 2q6k n LEU 100 N -4.75 1.05 -0.19 2.25 4.77 -1.26 -3.86 117.00 115.01 2q6k n LEU 100 Ca 0.18 -0.39 -0.06 0.00 -0.03 0.00 0.00 56.01 55.71 2q6k n LEU 100 Cb 0.41 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2q6k n LEU 100 CO 0.24 0.20 0.63 0.28 -1.33 0.00 0.00 177.39 177.40 2q6k h SER 101 N 1.53 -1.18 1.03 -1.43 0.02 -1.56 -0.69 113.55 111.28 2q6k h SER 101 Ca 0.00 0.22 -0.19 0.00 -0.84 0.00 0.00 61.79 60.98 2q6k h SER 101 Cb 0.33 0.57 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 2q6k h SER 101 CO 0.00 -0.31 -1.00 -0.26 -1.14 0.00 0.00 176.83 174.12 2q6k h PHE 102 N -0.18 0.00 -0.78 3.45 0.04 -1.80 -1.40 116.94 116.26 2q6k h PHE 102 Ca 0.22 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 2q6k h PHE 102 Cb 0.55 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.66 2q6k h PHE 102 CO -0.63 0.86 0.36 0.00 -0.60 0.00 0.00 178.31 178.30 2q6k h ALA 103 N 1.14 1.16 0.00 2.45 0.00 -1.67 -2.60 119.26 119.74 2q6k h ALA 103 Ca -0.05 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2q6k h ALA 103 Cb 1.70 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2q6k h ALA 103 CO 0.10 0.63 -0.63 -0.07 0.00 0.00 0.00 179.25 179.29 2q6k h LEU 104 N 1.12 0.00 -0.92 0.00 3.38 -0.90 -2.22 115.31 115.77 2q6k h LEU 104 Ca 0.27 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.27 2q6k h LEU 104 Cb 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2q6k h LEU 104 CO -0.03 0.63 0.60 0.44 0.09 0.00 0.00 178.44 180.17 2q6k h ASP 105 N 0.00 1.00 -0.38 -0.43 3.45 -0.98 -1.98 116.42 117.10 2q6k h ASP 105 Ca -0.01 -0.01 -0.14 0.00 0.43 0.00 0.00 57.03 57.31 2q6k h ASP 105 Cb 1.12 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.65 2q6k h ASP 105 CO 0.08 0.69 -0.30 0.00 -1.57 0.00 0.00 179.24 178.14 2q6k h ALA 106 N 1.38 0.55 -2.53 3.45 0.00 -1.16 -3.41 119.26 117.54 2q6k h ALA 106 Ca 0.37 -0.42 -0.43 0.00 0.00 0.00 0.00 54.91 54.43 2q6k h ALA 106 Cb -0.01 -0.12 -0.37 0.00 0.00 0.00 0.00 17.79 17.29 2q6k h ALA 106 CO -0.12 0.59 -0.71 0.45 0.00 0.00 0.00 179.25 179.46 2q6k s SER 107 N -6.69 2.58 0.70 0.00 0.15 -0.86 -5.00 113.70 104.57 2q6k s SER 107 Ca -0.12 -0.97 -0.17 0.00 0.70 0.00 0.00 55.95 55.40 2q6k s SER 107 Cb 0.11 0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.48 2q6k s SER 107 CO 0.86 -0.41 1.19 -2.65 1.20 0.00 0.00 173.24 173.43 2q6k n PRO 108 N 5.28 0.77 -1.79 5.44 -0.02 -0.76 -4.35 135.00 139.57 2q6k n PRO 108 Ca -0.04 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 2q6k n PRO 108 Cb 0.45 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 2q6k n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q6k s ALA 109 N -1.64 3.82 -0.22 3.55 0.00 -1.26 -1.60 121.76 124.41 2q6k s ALA 109 Ca 0.79 1.54 -0.02 0.00 0.00 0.00 0.00 51.96 54.27 2q6k s ALA 109 Cb -0.36 -3.66 -0.13 0.00 0.00 0.00 0.00 23.12 18.97 2q6k s ALA 109 CO 0.45 -0.92 -0.22 0.28 0.00 0.00 0.00 175.76 175.35 2q6k n VAL 110 N 3.15 1.24 -3.98 0.00 0.31 0.43 -4.88 118.33 114.59 2q6k n VAL 110 Ca 0.12 -0.44 -0.14 0.00 -0.01 0.00 0.00 64.34 63.87 2q6k n VAL 110 Cb 0.37 -1.40 -0.15 0.00 -0.91 0.00 0.00 33.84 31.75 2q6k n VAL 110 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2q6k s GLU 111 N -2.43 0.20 -0.02 5.55 2.12 -1.13 -5.01 118.70 117.98 2q6k s GLU 111 Ca -0.30 -0.05 0.01 0.00 0.36 0.00 0.00 54.97 54.99 2q6k s GLU 111 Cb 0.09 -0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.26 2q6k s GLU 111 CO 0.48 0.01 -0.02 0.00 -0.54 0.00 0.00 175.26 175.19 2q6k s HIS 113 N 0.70 1.16 0.19 0.00 3.76 -0.07 -0.98 115.29 120.06 2q6k s HIS 113 Ca -0.08 -0.43 -0.28 0.00 -0.15 0.00 0.00 55.06 54.12 2q6k s HIS 113 Cb -0.11 -0.67 -0.08 0.00 1.11 0.00 0.00 32.58 32.84 2q6k s HIS 113 CO -0.01 0.04 0.86 -1.21 -0.85 0.00 0.00 174.74 173.57 2q6k s GLU 114 N -1.57 4.71 -0.70 1.40 2.02 -0.21 -0.68 118.70 123.67 2q6k s GLU 114 Ca -0.02 1.33 -0.21 0.00 0.02 0.00 0.00 54.97 56.09 2q6k s GLU 114 Cb -0.09 -3.28 0.09 0.00 0.10 0.00 0.00 34.13 30.95 2q6k s GLU 114 CO 0.02 0.52 0.94 0.08 0.02 0.00 0.00 175.26 176.84 2q6k s VAL 115 N -1.07 4.51 0.00 2.63 1.01 0.25 -3.29 120.40 124.44 2q6k s VAL 115 Ca 0.39 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.63 2q6k s VAL 115 Cb -0.24 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.48 2q6k s VAL 115 CO 0.29 -1.39 0.00 0.18 0.00 0.00 0.00 175.10 174.18 2q6k n LEU 116 N 7.17 0.00 -4.69 3.92 4.77 0.21 -4.60 117.00 123.78 2q6k n LEU 116 Ca 0.00 -0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.35 2q6k n LEU 116 Cb 0.45 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2q6k n LEU 116 CO 0.60 0.00 0.93 -0.55 -1.33 0.00 0.00 177.39 177.04 2q6k s SER 117 N -1.22 7.06 0.59 -1.43 0.15 -0.19 -4.92 113.70 113.74 2q6k s SER 117 Ca 0.00 1.85 0.30 0.00 0.70 0.00 0.00 55.95 58.80 2q6k s SER 117 Cb 0.00 -2.56 1.84 0.00 -1.71 0.00 0.00 66.02 63.58 2q6k s SER 117 CO 0.00 -0.55 2.25 -0.65 1.20 0.00 0.00 173.24 175.49 2q6k h PRO 118 N 7.32 0.00 0.00 5.44 0.11 -1.95 -2.77 132.00 140.16 2q6k h PRO 118 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2q6k h PRO 118 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2q6k h PRO 118 CO 0.86 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 178.41 2q6k n ASP 119 N -3.79 0.68 -0.96 -2.05 8.00 -1.26 -1.76 116.55 115.41 2q6k n ASP 119 Ca -0.03 0.65 0.08 0.00 0.71 0.00 0.00 54.79 56.20 2q6k n ASP 119 Cb 0.09 -0.80 0.23 0.00 -0.02 0.00 0.00 41.12 40.63 2q6k n ASP 119 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2q6k n VAL 120 N -2.23 1.34 -4.23 2.53 0.24 -1.04 -4.99 118.33 109.94 2q6k n VAL 120 Ca 0.03 -1.17 -0.24 0.00 -2.04 0.00 0.00 64.34 60.92 2q6k n VAL 120 Cb 0.26 0.32 -0.07 0.00 -1.47 0.00 0.00 33.84 32.88 2q6k n VAL 120 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2q6k s MET 121 N -1.42 2.45 -0.39 7.34 -1.94 -0.72 -2.42 119.30 122.19 2q6k s MET 121 Ca 0.35 -1.25 -0.23 0.00 -1.71 0.00 0.00 55.69 52.86 2q6k s MET 121 Cb 0.21 -2.30 0.01 0.00 2.01 0.00 0.00 34.83 34.77 2q6k s MET 121 CO 0.19 0.40 0.78 1.21 -0.01 0.00 0.00 175.02 177.59 2q6k s ASN 122 N -3.45 6.50 -0.05 3.03 2.47 0.50 -5.01 114.94 118.92 2q6k s ASN 122 Ca 0.30 0.19 -0.09 0.00 0.42 0.00 0.00 52.86 53.68 2q6k s ASN 122 Cb -0.08 -2.39 -0.05 0.00 -1.45 0.00 0.00 41.25 37.29 2q6k s ASN 122 CO 0.20 -0.79 0.24 -1.10 -3.72 0.00 0.00 177.10 171.94 2q6k s GLN 123 N 3.14 3.60 0.33 0.43 -1.52 -1.26 -3.26 119.66 121.12 2q6k s GLN 123 Ca 0.30 0.02 -0.26 0.00 -1.95 0.00 0.00 55.36 53.47 2q6k s GLN 123 Cb -0.13 -3.16 -0.10 0.00 -0.22 0.00 0.00 33.01 29.40 2q6k s GLN 123 CO 0.19 0.72 0.99 -1.25 -0.25 0.00 0.00 175.29 175.68 2q6k s PRO 124 N -1.27 4.51 -0.14 2.91 0.04 -1.26 -5.11 135.00 134.68 2q6k s PRO 124 Ca 0.21 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.39 2q6k s PRO 124 Cb -0.14 -2.81 -0.01 0.00 0.04 0.00 0.00 34.50 31.58 2q6k s PRO 124 CO 0.10 0.19 1.15 0.08 0.04 0.00 0.00 177.00 178.56 2q6k s VAL 125 N -1.55 4.46 -0.11 -0.36 1.01 -1.20 -5.02 120.40 117.63 2q6k s VAL 125 Ca 0.51 1.76 -0.24 0.00 0.00 0.00 0.00 61.98 64.00 2q6k s VAL 125 Cb -0.21 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 2q6k s VAL 125 CO 0.27 -0.09 0.75 0.42 0.00 0.00 0.00 175.10 176.46 2q6k s THR 126 N 2.84 4.98 0.41 3.92 -4.23 -1.26 -4.97 115.64 117.33 2q6k s THR 126 Ca 0.51 1.52 0.17 0.00 -1.18 0.00 0.00 61.69 62.71 2q6k s THR 126 Cb -0.20 -4.08 0.38 0.00 1.34 0.00 0.00 72.50 69.93 2q6k s THR 126 CO 0.15 0.16 1.85 -0.65 -0.54 0.00 0.00 174.62 175.59 2q6k h PRO 127 N 7.03 0.41 -0.00 3.99 0.11 -1.96 -1.15 132.00 140.44 2q6k h PRO 127 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2q6k h PRO 127 Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2q6k h PRO 127 CO 0.78 0.27 -0.21 0.25 -0.21 0.00 0.00 178.00 178.89 2q6k n THR 128 N -4.52 0.00 -2.78 -1.15 -2.24 -1.26 -1.75 114.28 100.57 2q6k n THR 128 Ca 0.19 -0.07 -0.20 0.00 -2.27 0.00 0.00 64.05 61.71 2q6k n THR 128 Cb 0.68 0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.99 2q6k n THR 128 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2q6k n TRP 129 N -0.99 2.19 0.20 4.78 -0.00 -0.43 -4.81 117.44 118.37 2q6k n TRP 129 Ca 0.12 -3.36 0.14 0.00 -0.00 0.00 0.00 57.50 54.40 2q6k n TRP 129 Cb 0.31 -0.33 0.74 0.00 -0.00 0.00 0.00 31.31 32.04 2q6k n TRP 129 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 177.69 179.57 2q6k h TYR 130 N 2.88 0.00 -0.58 5.87 -1.99 -1.74 -1.88 116.97 119.53 2q6k h TYR 130 Ca 0.10 0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.94 2q6k h TYR 130 Cb 0.92 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.57 2q6k h TYR 130 CO 0.65 0.00 0.14 0.78 -0.00 0.00 0.00 178.16 179.73 2q6k h GLY 131 N 0.00 0.75 0.15 3.88 0.00 -1.93 0.08 103.07 106.01 2q6k h GLY 131 Ca 0.07 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 2q6k h GLY 131 CO -0.00 -0.09 -0.53 1.70 0.00 0.00 0.00 176.54 177.62 2q6k h LYS 132 N 0.28 0.07 0.00 4.80 3.64 -1.84 -0.13 116.57 123.38 2q6k h LYS 132 Ca 0.30 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2q6k h LYS 132 Cb 0.42 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2q6k h LYS 132 CO -0.37 1.05 -0.27 -0.44 -2.27 0.00 0.00 179.45 177.15 2q6k h ASP 133 N -0.84 0.00 0.00 4.20 3.45 -1.32 -2.65 116.42 119.26 2q6k h ASP 133 Ca -0.13 -0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.29 2q6k h ASP 133 Cb 1.23 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.00 2q6k h ASP 133 CO -0.02 0.02 -0.41 -0.38 -1.57 0.00 0.00 179.24 176.88 2q6k n ILE 134 N -2.61 0.76 0.29 0.35 5.41 -0.13 -0.37 119.36 123.05 2q6k n ILE 134 Ca 0.04 0.24 -0.14 0.00 1.00 0.00 0.00 62.75 63.89 2q6k n ILE 134 Cb 0.49 -1.56 -0.07 0.00 -0.71 0.00 0.00 39.64 37.78 2q6k n ILE 134 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2q6k h VAL 135 N -0.01 0.28 -0.16 1.39 2.07 -1.16 -0.39 116.25 118.27 2q6k h VAL 135 Ca -0.00 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2q6k h VAL 135 Cb 0.41 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2q6k h VAL 135 CO -0.00 0.04 0.08 0.00 0.02 0.00 0.00 177.57 177.70 2q6k h ALA 136 N -0.82 0.20 -0.29 1.67 0.00 -1.08 -1.25 119.26 117.69 2q6k h ALA 136 Ca -0.08 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2q6k h ALA 136 Cb 0.64 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2q6k h ALA 136 CO 0.13 -0.24 0.08 0.00 0.00 0.00 0.00 179.25 179.21 2q6k h ALA 137 N 0.95 0.31 -0.52 0.00 0.00 -1.52 -1.54 119.26 116.94 2q6k h ALA 137 Ca 0.05 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2q6k h ALA 137 Cb 0.11 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2q6k h ALA 137 CO -0.01 -0.33 0.02 0.00 0.00 0.00 0.00 179.25 178.94 2q6k h ALA 139 N 0.95 1.21 -0.43 0.00 0.00 -0.94 -0.80 119.26 119.25 2q6k h ALA 139 Ca 0.15 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2q6k h ALA 139 Cb 0.50 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2q6k h ALA 139 CO 0.02 0.07 -0.29 0.00 0.00 0.00 0.00 179.25 179.05 2q6k h ALA 140 N 1.48 0.67 -0.88 0.00 0.00 -0.84 -0.07 119.26 119.61 2q6k h ALA 140 Ca 0.41 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2q6k h ALA 140 Cb 0.42 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2q6k h ALA 140 CO -0.27 0.67 0.48 0.45 0.00 0.00 0.00 179.25 180.59 2q6k h HIS 141 N 0.80 1.21 -0.47 0.00 -0.00 -0.71 -0.20 115.15 115.78 2q6k h HIS 141 Ca 0.09 -0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.33 2q6k h HIS 141 Cb 0.87 -0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 2q6k h HIS 141 CO 0.05 0.84 -0.10 -0.07 -0.00 0.00 0.00 177.93 178.65 2q6k h LEU 142 N 1.23 0.91 -1.03 2.43 3.38 -0.99 -1.17 115.31 120.08 2q6k h LEU 142 Ca 0.31 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2q6k h LEU 142 Cb 0.03 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.46 2q6k h LEU 142 CO -0.05 1.06 0.64 0.00 0.09 0.00 0.00 178.44 180.18 2q6k h ALA 143 N 0.88 1.42 0.00 1.53 0.00 -0.66 -1.50 119.26 120.94 2q6k h ALA 143 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2q6k h ALA 143 Cb 0.65 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2q6k h ALA 143 CO 0.04 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.72 2q6k n ALA 144 N -2.37 1.80 0.00 0.00 0.00 -0.12 -1.14 120.51 118.68 2q6k n ALA 144 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2q6k n ALA 144 Cb 0.19 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.23 2q6k n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q6k n GLY 145 N 0.29 1.38 3.76 0.00 0.00 -0.56 -4.71 105.19 105.34 2q6k n GLY 145 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2q6k n GLY 145 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q6k s THR 146 N -2.00 2.08 0.21 2.61 2.01 -0.48 -3.72 115.64 116.36 2q6k s THR 146 Ca 0.00 0.07 -0.32 0.00 0.31 0.00 0.00 61.69 61.75 2q6k s THR 146 Cb 0.00 -3.04 -0.12 0.00 0.01 0.00 0.00 72.50 69.34 2q6k s THR 146 CO 0.00 0.01 1.69 -0.67 -0.69 0.00 0.00 174.62 174.96 2q6k n ASP 147 N 1.73 3.85 -0.30 3.53 -0.08 -1.26 -4.54 116.55 119.48 2q6k n ASP 147 Ca 0.06 1.07 0.10 0.00 -1.51 0.00 0.00 54.79 54.52 2q6k n ASP 147 Cb 0.38 -1.56 0.33 0.00 2.34 0.00 0.00 41.12 42.61 2q6k n ASP 147 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2q6k h LEU 148 N 6.41 0.75 -2.38 -2.67 5.85 -1.98 -1.03 115.31 120.26 2q6k h LEU 148 Ca -0.44 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 2q6k h LEU 148 Cb 1.21 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 2q6k h LEU 148 CO 0.93 0.38 -0.03 0.00 -0.34 0.00 0.00 178.44 179.38 2q6k h ALA 149 N 1.58 1.20 0.00 1.25 0.00 -1.90 -2.44 119.26 118.95 2q6k h ALA 149 Ca 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2q6k h ALA 149 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2q6k h ALA 149 CO -0.24 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.06 2q6k n ALA 150 N -2.19 2.04 0.21 0.00 0.00 -0.39 -3.58 120.51 116.59 2q6k n ALA 150 Ca -0.02 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.49 2q6k n ALA 150 Cb 0.15 -1.40 0.23 0.00 0.00 0.00 0.00 19.45 18.44 2q6k n ALA 150 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2q6k h VAL 151 N 0.00 0.21 0.00 0.00 -1.51 -1.56 -3.44 116.25 109.95 2q6k h VAL 151 Ca 0.00 -1.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.29 2q6k h VAL 151 Cb 0.46 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 2q6k h VAL 151 CO 0.00 0.11 0.00 0.61 -1.23 0.00 0.00 177.57 177.06 2q6k n GLY 152 N 0.91 -0.33 3.77 5.19 0.00 -1.21 -0.62 105.19 112.91 2q6k n GLY 152 Ca 0.03 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 2q6k n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2q6k s PRO 153 N -1.96 4.10 0.39 1.61 0.04 -1.23 -4.62 135.00 133.32 2q6k s PRO 153 Ca 0.00 1.67 -0.27 0.00 0.04 0.00 0.00 61.00 62.45 2q6k s PRO 153 Cb 0.00 -2.61 -0.09 0.00 0.04 0.00 0.00 34.50 31.84 2q6k s PRO 153 CO 0.00 -0.24 1.28 0.50 0.04 0.00 0.00 177.00 178.59 2q6k s ARG 154 N -2.39 4.08 0.20 4.56 3.52 -1.26 -1.04 118.95 126.61 2q6k s ARG 154 Ca 0.57 2.13 0.08 0.00 -0.13 0.00 0.00 55.73 58.38 2q6k s ARG 154 Cb -0.26 -2.83 -0.05 0.00 -1.56 0.00 0.00 34.95 30.25 2q6k s ARG 154 CO 0.33 -0.39 -0.15 0.96 -0.81 0.00 0.00 175.30 175.24 2q6k s ILE 155 N -1.25 1.75 0.36 4.11 -4.36 -0.15 -4.86 121.20 116.79 2q6k s ILE 155 Ca 0.55 -2.16 -0.26 0.00 -0.26 0.00 0.00 60.65 58.51 2q6k s ILE 155 Cb -0.37 -2.00 -0.09 0.00 1.25 0.00 0.00 42.46 41.24 2q6k s ILE 155 CO 0.48 -0.55 1.12 -0.62 0.24 0.00 0.00 174.94 175.61 2q6k s ASP 156 N -3.20 6.86 0.46 4.36 2.15 -1.26 -4.33 116.67 121.70 2q6k s ASP 156 Ca 0.21 2.24 0.25 0.00 0.43 0.00 0.00 52.55 55.68 2q6k s ASP 156 Cb -0.02 -2.61 1.27 0.00 -0.30 0.00 0.00 42.92 41.27 2q6k s ASP 156 CO 0.07 -0.43 1.82 -0.65 -0.17 0.00 0.00 175.17 175.81 2q6k h PRO 157 N 3.04 0.23 0.00 4.34 0.11 -1.94 0.82 132.00 138.59 2q6k h PRO 157 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2q6k h PRO 157 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2q6k h PRO 157 CO 0.64 0.15 0.00 1.57 -0.21 0.00 0.00 178.00 180.15 2q6k h LYS 158 N 0.23 0.00 -0.00 1.05 2.10 -2.01 -1.43 116.57 116.51 2q6k h LYS 158 Ca 0.53 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.18 2q6k h LYS 158 Cb 1.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.98 2q6k h LYS 158 CO -0.15 0.00 -0.05 1.04 -2.00 0.00 0.00 179.45 178.29 2q6k n GLN 159 N -2.34 0.42 -2.61 0.07 6.02 0.28 -4.68 117.38 114.53 2q6k n GLN 159 Ca 0.01 -0.05 -0.43 0.00 -0.01 0.00 0.00 57.00 56.51 2q6k n GLN 159 Cb 0.17 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.91 2q6k n GLN 159 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2q6k s ILE 160 N -2.62 4.51 0.24 5.09 1.01 -0.54 -5.00 121.20 123.88 2q6k s ILE 160 Ca 0.26 1.77 -0.31 0.00 0.00 0.00 0.00 60.65 62.36 2q6k s ILE 160 Cb 0.20 -4.34 -0.12 0.00 0.01 0.00 0.00 42.46 38.21 2q6k s ILE 160 CO 0.48 -0.37 1.64 0.52 0.00 0.00 0.00 174.94 177.21 2q6k n VAL 161 N 5.71 0.45 -5.11 2.92 0.31 -1.26 -5.01 118.33 116.34 2q6k n VAL 161 Ca 0.12 -0.11 -0.29 0.00 -0.01 0.00 0.00 64.34 64.05 2q6k n VAL 161 Cb 0.47 -1.91 -0.16 0.00 -0.91 0.00 0.00 33.84 31.33 2q6k n VAL 161 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2q6k s ARG 162 N 0.40 1.90 -0.00 5.55 1.81 -1.26 -3.54 118.95 123.81 2q6k s ARG 162 Ca 0.71 -0.80 -0.24 0.00 -1.72 0.00 0.00 55.73 53.67 2q6k s ARG 162 Cb -0.53 -1.79 -0.05 0.00 -0.45 0.00 0.00 34.95 32.13 2q6k s ARG 162 CO 0.40 0.46 0.73 -0.51 -0.68 0.00 0.00 175.30 175.70 2q6k s LEU 163 N -0.45 4.39 0.42 2.53 1.43 -1.26 -4.95 118.68 120.79 2q6k s LEU 163 Ca 0.06 1.33 -0.26 0.00 -1.03 0.00 0.00 54.13 54.24 2q6k s LEU 163 Cb -0.09 -3.16 -0.08 0.00 0.03 0.00 0.00 46.19 42.88 2q6k s LEU 163 CO -0.00 -0.04 1.34 -2.84 0.23 0.00 0.00 176.35 175.04 2q6k s PRO 164 N 0.30 3.85 -0.11 1.29 0.02 -1.26 -4.99 135.00 134.11 2q6k s PRO 164 Ca 0.38 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.63 2q6k s PRO 164 Cb -0.19 -2.70 0.03 0.00 0.02 0.00 0.00 34.50 31.65 2q6k s PRO 164 CO 0.21 -0.62 -0.07 -0.47 -0.33 0.00 0.00 177.00 175.72 2q6k s TYR 165 N -1.25 1.39 0.28 6.54 5.04 -1.26 -5.13 117.35 122.96 2q6k s TYR 165 Ca 0.59 -0.68 -0.29 0.00 -2.44 0.00 0.00 57.07 54.25 2q6k s TYR 165 Cb -0.40 -1.18 -0.10 0.00 0.35 0.00 0.00 41.96 40.63 2q6k s TYR 165 CO 0.51 -0.49 1.23 0.00 -1.34 0.00 0.00 175.55 175.46 2q6k s ALA 166 N 1.74 3.47 -0.00 3.97 0.00 -1.26 -5.04 121.76 124.64 2q6k s ALA 166 Ca 0.05 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2q6k s ALA 166 Cb -0.13 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2q6k s ALA 166 CO -0.08 -0.45 0.06 -1.12 0.00 0.00 0.00 175.76 174.18 2q6k s SER 167 N -0.41 5.54 0.42 0.00 0.01 -1.26 -4.93 113.70 113.07 2q6k s SER 167 Ca 0.49 0.11 -0.23 0.00 1.31 0.00 0.00 55.95 57.63 2q6k s SER 167 Cb -0.36 -1.56 -0.09 0.00 0.21 0.00 0.00 66.02 64.23 2q6k s SER 167 CO 0.45 0.28 1.06 0.00 0.41 0.00 0.00 173.24 175.44 2q6k s ALA 168 N -1.17 3.03 0.00 1.44 0.00 -1.26 -4.92 121.76 118.89 2q6k s ALA 168 Ca 0.22 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2q6k s ALA 168 Cb -0.12 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2q6k s ALA 168 CO 0.13 -0.29 0.25 -1.13 0.00 0.00 0.00 175.76 174.71 2q6k n SER 169 N -0.28 0.35 -4.32 0.00 3.41 -1.26 -4.99 113.62 106.52 2q6k n SER 169 Ca 0.06 -1.06 -0.34 0.00 -0.26 0.00 0.00 58.87 57.27 2q6k n SER 169 Cb 0.50 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.31 2q6k n SER 169 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2q6k s ILE 175 N -0.06 3.22 -0.25 -1.33 -1.09 0.04 -4.71 121.20 117.02 2q6k s ILE 175 Ca 0.00 -0.56 -0.07 0.00 -2.23 0.00 0.00 60.65 57.79 2q6k s ILE 175 Cb 0.00 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.43 2q6k s ILE 175 CO 0.00 0.46 0.06 -0.60 -1.23 0.00 0.00 174.94 173.63 2q6k s ARG 176 N 1.09 3.60 0.00 2.79 3.52 -1.26 -0.78 118.95 127.90 2q6k s ARG 176 Ca 0.01 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 2q6k s ARG 176 Cb -0.15 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 2q6k s ARG 176 CO -0.01 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 174.68 2q6k n GLY 177 N 4.91 5.91 3.43 8.12 0.00 0.37 -4.46 105.19 123.47 2q6k n GLY 177 Ca -0.16 -1.57 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 2q6k n GLY 177 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2q6k s GLU 178 N 1.16 1.25 -0.04 1.61 -1.05 -1.26 -0.97 118.70 119.41 2q6k s GLU 178 Ca 0.00 -0.97 -0.30 0.00 -0.15 0.00 0.00 54.97 53.55 2q6k s GLU 178 Cb 0.00 0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 34.10 2q6k s GLU 178 CO 0.00 -0.50 1.31 0.08 0.95 0.00 0.00 175.26 177.10 2q6k s VAL 179 N -3.90 4.00 -0.22 1.83 1.01 -0.22 -2.23 120.40 120.67 2q6k s VAL 179 Ca 0.12 1.34 -0.18 0.00 0.00 0.00 0.00 61.98 63.25 2q6k s VAL 179 Cb 0.01 -3.86 -0.18 0.00 0.00 0.00 0.00 36.38 32.35 2q6k s VAL 179 CO -0.03 -0.01 0.06 0.52 0.00 0.00 0.00 175.10 175.64 2q6k n VAL 180 N 4.71 1.55 -3.60 2.92 0.31 0.33 -0.60 118.33 123.94 2q6k n VAL 180 Ca 0.12 -0.17 -0.10 0.00 -0.01 0.00 0.00 64.34 64.18 2q6k n VAL 180 Cb 0.45 -1.97 -0.03 0.00 -0.91 0.00 0.00 33.84 31.38 2q6k n VAL 180 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2q6k s ARG 181 N -2.42 1.32 -0.15 5.55 1.70 -1.15 -4.74 118.95 119.07 2q6k s ARG 181 Ca -0.31 -0.69 0.00 0.00 -0.47 0.00 0.00 55.73 54.25 2q6k s ARG 181 Cb 0.08 0.55 -0.00 0.00 -0.57 0.00 0.00 34.95 35.01 2q6k s ARG 181 CO 0.57 -0.57 -0.14 0.42 -1.08 0.00 0.00 175.30 174.50 2q6k s ILE 182 N -3.82 2.78 -0.86 4.99 -1.09 -1.26 -1.21 121.20 120.74 2q6k s ILE 182 Ca 0.05 -0.74 -0.25 0.00 -2.23 0.00 0.00 60.65 57.48 2q6k s ILE 182 Cb -0.01 -2.17 0.01 0.00 -1.58 0.00 0.00 42.46 38.70 2q6k s ILE 182 CO -0.08 0.51 1.61 -0.62 -1.23 0.00 0.00 174.94 175.14 2q6k s ASP 183 N 0.74 5.86 0.57 3.58 -1.08 -0.32 -4.85 116.67 121.18 2q6k s ASP 183 Ca -0.06 -0.71 0.30 0.00 -0.52 0.00 0.00 52.55 51.56 2q6k s ASP 183 Cb -0.15 -2.56 1.74 0.00 -1.46 0.00 0.00 42.92 40.49 2q6k s ASP 183 CO 0.01 -2.05 2.20 0.08 0.52 0.00 0.00 175.17 175.93 2q6k h ARG 184 N 11.12 0.00 -0.62 4.34 -0.00 -1.94 0.86 114.38 128.15 2q6k h ARG 184 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.93 2q6k h ARG 184 Cb 1.04 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.98 2q6k h ARG 184 CO 1.30 0.04 0.26 0.00 -0.00 0.00 0.00 179.97 181.58 2q6k h ALA 185 N 1.96 1.30 0.00 0.08 0.00 -1.98 -3.34 119.26 117.29 2q6k h ALA 185 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2q6k h ALA 185 Cb 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2q6k h ALA 185 CO 0.01 0.53 -1.00 1.19 0.00 0.00 0.00 179.25 179.97 2q6k n PHE 186 N -4.33 0.00 -0.82 0.00 3.72 -0.67 -5.02 117.46 110.34 2q6k n PHE 186 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 2q6k n PHE 186 Cb 0.15 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 2q6k n PHE 186 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2q6k n GLY 187 N 2.38 0.57 3.77 1.37 0.00 0.29 -4.02 105.19 109.55 2q6k n GLY 187 Ca -0.00 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 2q6k n GLY 187 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2q6k s ASN 188 N -2.18 6.59 -0.21 1.61 0.01 -1.19 -2.92 114.94 116.66 2q6k s ASN 188 Ca 0.00 2.45 -0.06 0.00 -0.71 0.00 0.00 52.86 54.54 2q6k s ASN 188 Cb 0.00 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 2q6k s ASN 188 CO 0.00 -0.64 0.04 -0.69 -1.51 0.00 0.00 177.10 174.30 2q6k s VAL 189 N -1.32 4.35 -0.15 1.60 1.01 0.58 -1.17 120.40 125.31 2q6k s VAL 189 Ca 0.55 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 2q6k s VAL 189 Cb -0.34 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2q6k s VAL 189 CO 0.43 0.41 0.01 0.26 0.00 0.00 0.00 175.10 176.21 2q6k s TRP 190 N 0.94 3.13 0.53 5.22 0.51 -0.35 -0.68 118.94 128.25 2q6k s TRP 190 Ca 0.03 -0.06 0.07 0.00 -2.12 0.00 0.00 56.10 54.02 2q6k s TRP 190 Cb -0.14 -1.96 0.04 0.00 -0.81 0.00 0.00 33.47 30.60 2q6k s TRP 190 CO 0.02 0.15 0.50 0.95 -0.51 0.00 0.00 176.95 178.06 2q6k s THR 191 N 0.08 1.96 -2.02 2.01 -4.23 -0.51 -0.52 115.64 112.41 2q6k s THR 191 Ca 0.02 -1.33 0.18 0.00 -1.18 0.00 0.00 61.69 59.38 2q6k s THR 191 Cb -0.13 -2.30 0.50 0.00 1.34 0.00 0.00 72.50 71.92 2q6k s THR 191 CO 0.02 0.00 1.42 -0.46 -0.54 0.00 0.00 174.62 175.06 2q6k n ASN 192 N -1.85 3.04 -4.61 3.99 6.94 -0.95 -4.50 115.26 117.32 2q6k n ASN 192 Ca 0.04 -1.99 -0.43 0.00 -0.02 0.00 0.00 54.58 52.18 2q6k n ASN 192 Cb 0.63 -0.37 -0.02 0.00 -2.36 0.00 0.00 39.78 37.65 2q6k n ASN 192 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2q6k s ILE 193 N -1.25 4.37 0.71 1.53 1.01 -1.26 -4.19 121.20 122.12 2q6k s ILE 193 Ca 0.38 1.39 -0.11 0.00 0.00 0.00 0.00 60.65 62.31 2q6k s ILE 193 Cb 0.20 -4.50 0.01 0.00 0.01 0.00 0.00 42.46 38.18 2q6k s ILE 193 CO 0.26 -0.75 1.07 -2.84 0.00 0.00 0.00 174.94 172.68 2q6k s PRO 194 N 4.02 2.86 0.25 2.79 0.02 -1.26 -0.29 135.00 143.38 2q6k s PRO 194 Ca 0.45 0.75 -0.04 0.00 0.02 0.00 0.00 61.00 62.18 2q6k s PRO 194 Cb -0.10 -2.00 0.48 0.00 0.02 0.00 0.00 34.50 32.91 2q6k s PRO 194 CO 0.24 -1.10 1.71 1.15 -0.33 0.00 0.00 177.00 178.67 2q6k h THR 195 N -0.71 0.59 0.00 0.99 2.02 -1.63 -3.04 112.91 111.13 2q6k h THR 195 Ca -0.45 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 66.52 2q6k h THR 195 Cb 1.23 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2q6k h THR 195 CO 0.60 0.07 -0.38 1.12 0.37 0.00 0.00 175.52 177.30 2q6k h HIS 196 N 0.38 0.00 0.00 3.16 2.07 -1.93 -3.05 115.15 115.78 2q6k h HIS 196 Ca 0.43 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.93 2q6k h HIS 196 Cb 0.70 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.67 2q6k h HIS 196 CO -0.19 0.38 -0.09 -0.07 -3.07 0.00 0.00 177.93 174.89 2q6k h LEU 197 N 0.00 0.00 0.00 6.12 3.38 -1.93 -3.21 115.31 119.68 2q6k h LEU 197 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2q6k h LEU 197 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2q6k h LEU 197 CO 0.05 0.09 -1.26 2.30 0.09 0.00 0.00 178.44 179.71 2q6k n ILE 198 N -3.20 0.00 -1.81 1.22 -5.35 -1.21 -4.94 119.36 104.07 2q6k n ILE 198 Ca 0.01 -0.27 -0.20 0.00 -0.27 0.00 0.00 62.75 62.02 2q6k n ILE 198 Cb 0.39 0.46 -0.07 0.00 -1.74 0.00 0.00 39.64 38.69 2q6k n ILE 198 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2q6k s GLY 199 N -3.05 -0.36 0.47 3.28 0.00 -1.16 -5.15 107.32 101.35 2q6k s GLY 199 Ca -0.02 -1.28 -0.22 0.00 0.00 0.00 0.00 44.72 43.21 2q6k s GLY 199 CO 0.52 3.88 0.84 0.54 0.00 0.00 0.00 173.10 178.88 2q6k n ARG 207 N 8.72 0.99 -4.13 2.90 1.74 -1.26 -5.14 116.66 120.49 2q6k n ARG 207 Ca 0.43 0.36 -0.26 0.00 -0.77 0.00 0.00 57.85 57.61 2q6k n ARG 207 Cb 0.45 -1.91 -0.06 0.00 -1.02 0.00 0.00 32.46 29.92 2q6k n ARG 207 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2q6k s LEU 208 N -0.16 3.63 -0.22 0.55 1.43 -0.14 -4.90 118.68 118.88 2q6k s LEU 208 Ca 0.66 -0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 53.40 2q6k s LEU 208 Cb -0.53 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 2q6k s LEU 208 CO 0.55 0.08 0.32 -0.70 0.23 0.00 0.00 176.35 176.82 2q6k s GLU 209 N -3.04 4.12 -0.16 1.70 2.12 0.63 -1.11 118.70 122.96 2q6k s GLU 209 Ca 0.30 0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.67 2q6k s GLU 209 Cb -0.10 -3.55 0.01 0.00 0.26 0.00 0.00 34.13 30.75 2q6k s GLU 209 CO 0.22 -0.04 -0.20 0.54 -0.54 0.00 0.00 175.26 175.24 2q6k s VAL 210 N 1.32 2.15 -0.16 3.70 0.11 0.08 -0.95 120.40 126.65 2q6k s VAL 210 Ca 0.15 -0.93 -0.04 0.00 -2.93 0.00 0.00 61.98 58.23 2q6k s VAL 210 Cb -0.14 -1.88 -0.03 0.00 -1.53 0.00 0.00 36.38 32.80 2q6k s VAL 210 CO 0.07 0.54 -0.03 -0.75 -3.33 0.00 0.00 175.10 171.60 2q6k s LYS 211 N 1.03 3.69 0.00 1.54 2.20 0.49 -0.97 119.74 127.73 2q6k s LYS 211 Ca -0.01 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 2q6k s LYS 211 Cb -0.14 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 2q6k s LYS 211 CO -0.06 0.24 0.00 -0.89 -0.36 0.00 0.00 175.35 174.27 2q6k n ILE 212 N 3.55 0.00 -2.53 5.43 5.41 0.19 -1.35 119.36 130.06 2q6k n ILE 212 Ca -0.17 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.49 2q6k n ILE 212 Cb 0.52 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.50 2q6k n ILE 212 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2q6k n LEU 215 N 0.00 -4.12 -4.01 1.39 4.77 -1.26 -2.45 117.00 111.32 2q6k n LEU 215 Ca 0.00 -0.41 -0.29 0.00 -0.03 0.00 0.00 56.01 55.27 2q6k n LEU 215 Cb 0.00 -2.09 -0.01 0.00 -2.33 0.00 0.00 43.42 38.99 2q6k n LEU 215 CO 0.00 0.06 -0.10 -1.20 -1.33 0.00 0.00 177.39 174.82 2q6k n SER 216 N -2.51 -2.03 -3.58 -1.43 7.64 -1.26 -2.01 113.62 108.45 2q6k n SER 216 Ca -0.04 -0.96 -0.21 0.00 1.01 0.00 0.00 58.87 58.67 2q6k n SER 216 Cb 0.57 -3.17 0.05 0.00 -1.01 0.00 0.00 64.21 60.65 2q6k n SER 216 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2q6k n ASP 217 N -2.86 -2.53 -4.69 6.43 8.00 -1.23 -4.92 116.55 114.74 2q6k n ASP 217 Ca -0.13 -0.78 -0.42 0.00 0.71 0.00 0.00 54.79 54.16 2q6k n ASP 217 Cb 0.60 -4.37 -0.03 0.00 -0.02 0.00 0.00 41.12 37.30 2q6k n ASP 217 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2q6k s THR 218 N -3.55 3.22 -0.20 -3.53 2.01 -0.85 -4.82 115.64 107.92 2q6k s THR 218 Ca 0.11 0.64 -0.02 0.00 0.31 0.00 0.00 61.69 62.73 2q6k s THR 218 Cb -0.03 -3.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.07 2q6k s THR 218 CO 0.79 -0.00 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.94 2q6k s VAL 219 N 2.64 3.09 -0.03 3.82 1.01 -1.26 -0.63 120.40 129.03 2q6k s VAL 219 Ca 0.71 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 62.17 2q6k s VAL 219 Cb -0.37 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2q6k s VAL 219 CO 0.31 0.46 -0.24 -0.76 0.00 0.00 0.00 175.10 174.86 2q6k s LEU 220 N 1.30 2.16 -0.43 3.92 1.43 -0.14 -4.98 118.68 121.93 2q6k s LEU 220 Ca 0.04 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 2q6k s LEU 220 Cb -0.14 -1.38 0.04 0.00 0.03 0.00 0.00 46.19 44.74 2q6k s LEU 220 CO -0.04 0.31 0.34 -0.70 0.23 0.00 0.00 176.35 176.49 2q6k s GLU 221 N -0.57 2.97 -0.02 1.70 2.12 -1.26 -0.74 118.70 122.90 2q6k s GLU 221 Ca 0.08 -1.16 0.08 0.00 0.36 0.00 0.00 54.97 54.33 2q6k s GLU 221 Cb -0.11 -4.03 -0.02 0.00 0.26 0.00 0.00 34.13 30.23 2q6k s GLU 221 CO -0.00 -0.86 -0.26 -0.51 -0.54 0.00 0.00 175.26 173.09 2q6k s LEU 222 N 1.66 2.08 0.29 2.70 1.43 -0.26 -4.92 118.68 121.65 2q6k s LEU 222 Ca 0.05 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 2q6k s LEU 222 Cb -0.21 -1.35 -0.09 0.00 0.03 0.00 0.00 46.19 44.56 2q6k s LEU 222 CO 0.08 0.31 1.08 -2.16 0.23 0.00 0.00 176.35 175.90 2q6k s PRO 223 N -0.57 4.60 -0.23 1.29 0.04 -1.26 -0.96 135.00 137.90 2q6k s PRO 223 Ca 0.09 1.74 -0.23 0.00 0.04 0.00 0.00 61.00 62.64 2q6k s PRO 223 Cb -0.10 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 2q6k s PRO 223 CO -0.00 0.19 0.73 0.12 0.04 0.00 0.00 177.00 178.08 2q6k s PHE 224 N -1.23 3.32 0.27 0.56 5.36 -1.26 -1.19 117.98 123.82 2q6k s PHE 224 Ca 0.46 1.01 0.09 0.00 -0.96 0.00 0.00 56.93 57.53 2q6k s PHE 224 Cb -0.30 -2.94 -0.05 0.00 -0.34 0.00 0.00 43.02 39.39 2q6k s PHE 224 CO 0.39 -0.33 -0.14 0.00 -1.46 0.00 0.00 175.22 173.68 2q6k h LYS 226 N 2.29 0.05 -3.39 0.00 1.57 -1.97 -3.38 116.57 111.74 2q6k h LYS 226 Ca -0.40 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 2q6k h LYS 226 Cb 1.24 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.50 2q6k h LYS 226 CO 0.64 0.96 0.01 -0.08 -0.57 0.00 0.00 179.45 180.41 2q6k s THR 227 N -2.68 0.01 0.26 -0.16 -1.32 -1.26 -4.78 115.64 105.70 2q6k s THR 227 Ca -0.01 -1.12 -0.04 0.00 -1.21 0.00 0.00 61.69 59.32 2q6k s THR 227 Cb 0.09 -1.96 0.25 0.00 -1.51 0.00 0.00 72.50 69.38 2q6k s THR 227 CO 0.83 -0.04 1.88 -0.26 -2.21 0.00 0.00 174.62 174.82 2q6k h PHE 228 N 2.18 1.15 0.00 9.09 0.04 -1.97 -2.83 116.94 124.60 2q6k h PHE 228 Ca -0.25 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.55 2q6k h PHE 228 Cb 1.25 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 39.03 2q6k h PHE 228 CO 0.39 0.61 0.00 0.41 -0.60 0.00 0.00 178.31 179.12 2q6k n GLY 229 N -1.35 -0.76 0.06 -1.45 0.00 -1.26 -3.14 105.19 97.30 2q6k n GLY 229 Ca 0.14 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.17 2q6k n GLY 229 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2q6k n GLU 230 N -0.93 0.56 -4.53 1.61 1.02 -1.07 -4.77 120.64 112.53 2q6k n GLU 230 Ca 0.16 -0.13 -0.25 0.00 -0.02 0.00 0.00 57.16 56.91 2q6k n GLU 230 Cb 0.07 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.89 2q6k n GLU 230 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2q6k s VAL 231 N -2.53 2.10 0.76 2.62 -7.23 -1.19 -5.10 120.40 109.83 2q6k s VAL 231 Ca 0.28 -2.17 -0.11 0.00 -1.81 0.00 0.00 61.98 58.17 2q6k s VAL 231 Cb 0.20 -2.66 0.05 0.00 0.56 0.00 0.00 36.38 34.53 2q6k s VAL 231 CO 0.47 -0.19 1.10 -1.81 -0.31 0.00 0.00 175.10 174.37 2q6k s ASP 232 N -3.59 4.48 0.16 4.85 1.01 -1.26 -4.92 116.67 117.39 2q6k s ASP 232 Ca 0.32 1.90 -0.32 0.00 0.71 0.00 0.00 52.55 55.16 2q6k s ASP 232 Cb 0.04 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.32 2q6k s ASP 232 CO 0.16 -2.06 1.75 1.21 0.21 0.00 0.00 175.17 176.44 2q6k n GLU 233 N -3.35 2.66 0.00 8.23 2.13 -1.26 -1.80 120.64 127.25 2q6k n GLU 233 Ca 0.10 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.88 2q6k n GLU 233 Cb 0.53 -2.81 0.00 0.00 0.27 0.00 0.00 31.44 29.42 2q6k n GLU 233 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2q6k n GLY 234 N 3.99 1.50 3.80 8.31 0.00 0.13 -4.96 105.19 117.96 2q6k n GLY 234 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2q6k n GLY 234 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2q6k s GLN 235 N -0.63 4.38 0.46 1.61 -1.52 -0.74 -4.65 119.66 118.56 2q6k s GLN 235 Ca 0.00 1.10 -0.20 0.00 -1.95 0.00 0.00 55.36 54.31 2q6k s GLN 235 Cb 0.00 -2.69 -0.10 0.00 -0.22 0.00 0.00 33.01 30.00 2q6k s GLN 235 CO 0.00 0.26 0.97 -1.25 -0.25 0.00 0.00 175.29 175.01 2q6k s PRO 236 N -2.29 4.11 0.04 2.91 0.04 -1.26 -1.50 135.00 137.05 2q6k s PRO 236 Ca 0.50 1.09 -0.10 0.00 0.04 0.00 0.00 61.00 62.54 2q6k s PRO 236 Cb -0.16 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2q6k s PRO 236 CO 0.21 -0.14 0.20 -0.48 0.04 0.00 0.00 177.00 176.83 2q6k s LEU 237 N -3.47 1.33 -0.05 -3.56 2.34 -0.04 -4.58 118.68 110.65 2q6k s LEU 237 Ca 0.61 -0.38 -0.04 0.00 0.06 0.00 0.00 54.13 54.39 2q6k s LEU 237 Cb -0.10 1.00 -0.04 0.00 -0.56 0.00 0.00 46.19 46.49 2q6k s LEU 237 CO 0.19 -0.58 0.15 -0.76 -1.06 0.00 0.00 176.35 174.29 2q6k s LEU 238 N -2.16 4.27 0.20 1.48 1.43 -0.33 -2.26 118.68 121.30 2q6k s LEU 238 Ca -0.04 0.35 -0.18 0.00 -1.03 0.00 0.00 54.13 53.22 2q6k s LEU 238 Cb -0.00 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.90 2q6k s LEU 238 CO -0.05 0.32 0.55 -0.72 0.23 0.00 0.00 176.35 176.68 2q6k s TYR 239 N -1.19 -0.17 -0.22 0.29 -0.85 -0.62 -0.10 117.35 114.50 2q6k s TYR 239 Ca 0.22 -0.17 -0.17 0.00 -0.52 0.00 0.00 57.07 56.43 2q6k s TYR 239 Cb -0.12 0.44 -0.03 0.00 0.38 0.00 0.00 41.96 42.62 2q6k s TYR 239 CO 0.12 -0.94 0.46 -0.51 -1.52 0.00 0.00 175.55 173.16 2q6k s LEU 240 N -2.86 4.12 0.00 -3.49 1.43 -1.26 0.59 118.68 117.21 2q6k s LEU 240 Ca 0.08 0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 53.57 2q6k s LEU 240 Cb -0.01 -2.59 0.22 0.00 0.03 0.00 0.00 46.19 43.83 2q6k s LEU 240 CO -0.03 -0.16 1.09 -0.46 0.23 0.00 0.00 176.35 177.01 2q6k n ASN 241 N 4.87 -0.64 0.00 2.29 0.23 0.66 -4.84 115.26 117.84 2q6k n ASN 241 Ca -0.06 -1.30 0.00 0.00 -0.53 0.00 0.00 54.58 52.69 2q6k n ASN 241 Cb 0.51 -0.88 0.00 0.00 -2.08 0.00 0.00 39.78 37.32 2q6k n ASN 241 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2q6k n SER 242 N -4.06 0.00 -2.81 0.53 3.41 -1.26 -2.59 113.62 106.84 2q6k n SER 242 Ca 0.14 0.20 -0.04 0.00 -0.26 0.00 0.00 58.87 58.91 2q6k n SER 242 Cb 0.51 -0.20 0.01 0.00 -0.26 0.00 0.00 64.21 64.26 2q6k n SER 242 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2q6k s ARG 243 N -2.33 1.05 -0.28 4.33 6.06 -1.26 -5.05 118.95 121.46 2q6k s ARG 243 Ca 0.00 -1.03 0.00 0.00 -2.50 0.00 0.00 55.73 52.20 2q6k s ARG 243 Cb 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 34.95 34.94 2q6k s ARG 243 CO 0.00 -1.32 0.00 0.41 -2.50 0.00 0.00 175.30 171.89 2q6k n GLY 244 N 3.05 0.56 3.34 8.12 0.00 -1.07 -5.01 105.19 114.19 2q6k n GLY 244 Ca 0.18 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 2q6k n GLY 244 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2q6k s ARG 245 N -1.40 1.96 0.22 1.61 1.81 -1.26 -1.45 118.95 120.44 2q6k s ARG 245 Ca 0.00 -1.02 -0.30 0.00 -1.72 0.00 0.00 55.73 52.69 2q6k s ARG 245 Cb 0.00 -2.03 -0.10 0.00 -0.45 0.00 0.00 34.95 32.38 2q6k s ARG 245 CO 0.00 0.54 1.41 -1.17 -0.68 0.00 0.00 175.30 175.40 2q6k s LEU 246 N -0.97 4.39 0.12 2.53 2.96 0.60 -0.24 118.68 128.06 2q6k s LEU 246 Ca 0.11 2.57 0.04 0.00 -0.22 0.00 0.00 54.13 56.63 2q6k s LEU 246 Cb -0.10 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 2q6k s LEU 246 CO 0.01 -0.66 -0.09 0.00 -1.32 0.00 0.00 176.35 174.29 2q6k s ALA 247 N 0.19 1.21 -0.04 5.97 0.00 0.20 -1.42 121.76 127.86 2q6k s ALA 247 Ca 0.60 -1.35 0.05 0.00 0.00 0.00 0.00 51.96 51.26 2q6k s ALA 247 Cb -0.40 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 2q6k s ALA 247 CO 0.40 -0.11 -0.19 -0.51 0.00 0.00 0.00 175.76 175.35 2q6k s LEU 248 N -2.87 1.98 0.27 0.00 1.02 0.15 -1.59 118.68 117.64 2q6k s LEU 248 Ca 0.11 -0.39 -0.17 0.00 0.02 0.00 0.00 54.13 53.70 2q6k s LEU 248 Cb 0.01 -1.07 0.01 0.00 0.02 0.00 0.00 46.19 45.16 2q6k s LEU 248 CO -0.01 0.19 0.61 -0.83 0.02 0.00 0.00 176.35 176.34 2q6k s GLY 249 N -0.12 0.21 -0.08 -3.19 0.00 -0.96 -0.31 107.32 102.87 2q6k s GLY 249 Ca -0.01 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.14 2q6k s GLY 249 CO 0.02 -0.34 -0.08 1.08 0.00 0.00 0.00 173.10 173.78 2q6k s LEU 250 N -2.97 3.08 -0.29 0.66 1.43 -1.26 -0.86 118.68 118.47 2q6k s LEU 250 Ca 0.16 -0.08 -0.28 0.00 -1.03 0.00 0.00 54.13 52.90 2q6k s LEU 250 Cb -0.04 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 2q6k s LEU 250 CO 0.08 0.32 2.07 0.21 0.23 0.00 0.00 176.35 179.26 2q6k s ASN 251 N -0.56 5.52 -1.46 2.29 2.47 -0.56 -2.60 114.94 120.03 2q6k s ASN 251 Ca 0.08 1.56 -0.08 0.00 0.42 0.00 0.00 52.86 54.85 2q6k s ASN 251 Cb -0.12 -2.52 0.02 0.00 -1.45 0.00 0.00 41.25 37.19 2q6k s ASN 251 CO 0.02 -1.96 0.88 0.00 -3.72 0.00 0.00 177.10 172.31 2q6k n GLN 252 N 8.68 -6.14 -4.01 0.43 6.02 -1.26 0.19 117.38 121.30 2q6k n GLN 252 Ca 0.28 0.82 -0.14 0.00 -0.01 0.00 0.00 57.00 57.95 2q6k n GLN 252 Cb 0.47 -5.76 -0.02 0.00 1.02 0.00 0.00 30.24 25.95 2q6k n GLN 252 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2q6k n SER 253 N -2.74 -1.60 -4.33 1.08 2.88 -1.07 -4.72 113.62 103.12 2q6k n SER 253 Ca -0.04 -2.89 -0.38 0.00 -1.33 0.00 0.00 58.87 54.23 2q6k n SER 253 Cb 0.58 2.88 -0.12 0.00 -0.75 0.00 0.00 64.21 66.81 2q6k n SER 253 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2q6k s ASN 254 N -3.21 5.39 0.17 -3.46 3.84 -1.26 -4.23 114.94 112.18 2q6k s ASN 254 Ca 0.27 -0.94 -0.14 0.00 0.21 0.00 0.00 52.86 52.27 2q6k s ASN 254 Cb -0.02 -1.92 0.06 0.00 -0.55 0.00 0.00 41.25 38.82 2q6k s ASN 254 CO 0.20 -0.29 1.77 0.15 -2.79 0.00 0.00 177.10 176.14 2q6k h PHE 255 N 8.29 0.74 0.00 0.43 3.57 -1.70 -2.62 116.94 125.66 2q6k h PHE 255 Ca -0.27 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.21 2q6k h PHE 255 Cb 1.10 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2q6k h PHE 255 CO 0.60 0.55 0.00 0.44 -2.23 0.00 0.00 178.31 177.66 2q6k n ILE 256 N -4.62 0.33 0.25 1.41 -6.64 -1.15 -0.32 119.36 108.62 2q6k n ILE 256 Ca 0.03 0.08 0.12 0.00 -1.77 0.00 0.00 62.75 61.21 2q6k n ILE 256 Cb 0.09 -0.71 0.14 0.00 -1.44 0.00 0.00 39.64 37.71 2q6k n ILE 256 CO 0.00 0.00 0.00 -0.33 -1.77 0.00 0.00 176.55 174.45 2q6k h GLU 257 N 0.00 0.00 0.00 6.28 5.08 -1.80 -3.15 114.58 121.00 2q6k h GLU 257 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.94 2q6k h GLU 257 Cb 0.23 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.42 2q6k h GLU 257 CO 0.00 0.00 -2.43 1.63 -1.00 0.00 0.00 179.01 177.21 2q6k n LYS 258 N -2.81 0.61 -3.85 2.33 4.01 -0.58 -4.81 118.16 113.06 2q6k n LYS 258 Ca 0.03 0.24 -0.30 0.00 -0.51 0.00 0.00 58.31 57.77 2q6k n LYS 258 Cb 0.52 -1.52 -0.14 0.00 -0.51 0.00 0.00 35.03 33.38 2q6k n LYS 258 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 2q6k s TRP 259 N -2.51 2.70 -1.06 2.13 0.51 0.56 -5.06 118.94 116.22 2q6k s TRP 259 Ca -0.36 -2.87 -0.23 0.00 -2.12 0.00 0.00 56.10 50.52 2q6k s TRP 259 Cb 0.12 -2.44 -0.11 0.00 -0.81 0.00 0.00 33.47 30.22 2q6k s TRP 259 CO 0.54 -0.76 1.93 -2.30 -0.51 0.00 0.00 176.95 175.85 2q6k n PRO 260 N 3.31 1.53 -3.47 4.98 -0.02 -1.19 -4.21 135.00 135.93 2q6k n PRO 260 Ca 0.06 -2.28 -0.33 0.00 -2.02 0.00 0.00 63.50 58.93 2q6k n PRO 260 Cb 0.33 -3.51 -0.05 0.00 -0.02 0.00 0.00 33.50 30.25 2q6k n PRO 260 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2q6k s VAL 261 N 9.55 4.98 0.26 -1.45 1.01 -1.26 -5.01 120.40 128.47 2q6k s VAL 261 Ca 0.66 0.48 0.11 0.00 0.00 0.00 0.00 61.98 63.23 2q6k s VAL 261 Cb 0.03 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 2q6k s VAL 261 CO 0.14 0.08 -0.16 0.68 0.00 0.00 0.00 175.10 175.83 2q6k s VAL 262 N -1.64 2.68 0.20 2.92 -7.23 -1.26 -5.00 120.40 111.07 2q6k s VAL 262 Ca 0.42 -2.23 -0.32 0.00 -1.81 0.00 0.00 61.98 58.03 2q6k s VAL 262 Cb -0.13 -2.39 -0.14 0.00 0.56 0.00 0.00 36.38 34.28 2q6k s VAL 262 CO 0.21 -0.35 1.46 -2.65 -0.31 0.00 0.00 175.10 173.46 2q6k n PRO 263 N -0.53 2.02 0.00 4.82 -0.02 -1.26 -2.25 135.00 137.78 2q6k n PRO 263 Ca -0.06 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2q6k n PRO 263 Cb 0.59 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2q6k n PRO 263 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q6k n GLY 264 N 2.61 2.47 3.76 -1.23 0.00 0.23 -4.99 105.19 108.05 2q6k n GLY 264 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2q6k n GLY 264 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q6k s ASP 265 N -0.62 6.66 0.28 1.61 1.01 -0.96 -4.69 116.67 119.96 2q6k s ASP 265 Ca 0.00 2.75 -0.29 0.00 0.71 0.00 0.00 52.55 55.71 2q6k s ASP 265 Cb 0.00 -2.65 -0.09 0.00 1.01 0.00 0.00 42.92 41.19 2q6k s ASP 265 CO 0.00 -0.64 1.14 -0.44 0.21 0.00 0.00 175.17 175.44 2q6k s SER 266 N -0.18 7.18 -0.14 0.27 0.01 -1.26 -1.05 113.70 118.53 2q6k s SER 266 Ca 0.53 2.32 -0.00 0.00 1.31 0.00 0.00 55.95 60.11 2q6k s SER 266 Cb -0.42 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.22 2q6k s SER 266 CO 0.52 -0.22 -0.08 -0.63 0.41 0.00 0.00 173.24 173.24 2q6k s ILE 267 N -1.04 1.16 -0.15 1.44 -1.09 -0.14 -4.44 121.20 116.94 2q6k s ILE 267 Ca 0.46 -0.49 -0.02 0.00 -2.23 0.00 0.00 60.65 58.37 2q6k s ILE 267 Cb -0.33 -1.22 -0.02 0.00 -1.58 0.00 0.00 42.46 39.31 2q6k s ILE 267 CO 0.42 0.29 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.44 2q6k s THR 268 N 1.64 3.40 -0.12 2.92 2.01 -0.46 -0.48 115.64 124.55 2q6k s THR 268 Ca 0.03 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.53 2q6k s THR 268 Cb -0.14 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 69.91 2q6k s THR 268 CO -0.08 0.50 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.44 2q6k s VAL 269 N 0.45 2.16 0.05 3.82 1.01 0.04 -0.38 120.40 127.55 2q6k s VAL 269 Ca -0.07 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.86 2q6k s VAL 269 Cb -0.15 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 2q6k s VAL 269 CO 0.04 0.55 0.17 -0.94 0.00 0.00 0.00 175.10 174.92 2q6k s SER 270 N 0.57 0.09 0.00 3.32 1.04 -0.13 -0.78 113.70 117.82 2q6k s SER 270 Ca -0.13 -0.48 0.09 0.00 0.48 0.00 0.00 55.95 55.92 2q6k s SER 270 Cb -0.17 0.28 0.54 0.00 0.10 0.00 0.00 66.02 66.77 2q6k s SER 270 CO 0.04 -0.58 0.98 -2.65 0.98 0.00 0.00 173.24 172.01