#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkx s PHE 3 N 0.00 3.33 0.60 4.78 0.08 0.36 -5.01 117.98 122.12 2qkx s PHE 3 Ca 0.00 0.68 -0.16 0.00 0.12 0.00 0.00 56.93 57.56 2qkx s PHE 3 Cb 0.00 -2.65 -0.03 0.00 -0.57 0.00 0.00 43.02 39.76 2qkx s PHE 3 CO 0.00 -0.15 1.08 -1.25 -0.10 0.00 0.00 175.22 174.80 2qkx s PRO 4 N 1.82 3.22 0.00 0.24 0.04 -1.26 -4.88 135.00 134.19 2qkx s PRO 4 Ca 0.22 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.56 2qkx s PRO 4 Cb -0.15 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2qkx s PRO 4 CO 0.09 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.64 2qkx n GLY 5 N -0.68 -0.15 3.37 0.56 0.00 -1.26 -4.14 105.19 102.89 2qkx n GLY 5 Ca 0.09 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2qkx n GLY 5 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qkx n ASP 6 N -1.43 5.03 -4.44 1.61 5.75 -1.26 -4.57 116.55 117.24 2qkx n ASP 6 Ca 0.00 -2.97 -0.33 0.00 -0.01 0.00 0.00 54.79 51.48 2qkx n ASP 6 Cb 0.00 -1.62 -0.13 0.00 -1.03 0.00 0.00 41.12 38.34 2qkx n ASP 6 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2qkx s THR 7 N 2.33 3.13 -0.14 2.12 2.01 -1.26 -3.06 115.64 120.77 2qkx s THR 7 Ca 0.46 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.82 2qkx s THR 7 Cb 0.02 -2.27 0.01 0.00 0.01 0.00 0.00 72.50 70.27 2qkx s THR 7 CO 0.02 0.56 -0.22 0.00 -0.69 0.00 0.00 174.62 174.29 2qkx s ALA 8 N -0.23 2.26 -0.19 7.40 0.00 -0.85 0.11 121.76 130.26 2qkx s ALA 8 Ca 0.01 -1.08 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 2qkx s ALA 8 Cb -0.13 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 2qkx s ALA 8 CO 0.03 0.00 0.01 0.08 0.00 0.00 0.00 175.76 175.88 2qkx s VAL 9 N 0.76 4.14 -0.28 0.00 1.01 -1.01 -1.30 120.40 123.72 2qkx s VAL 9 Ca -0.08 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 2qkx s VAL 9 Cb -0.16 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 2qkx s VAL 9 CO -0.01 0.44 0.27 -0.76 0.00 0.00 0.00 175.10 175.04 2qkx s LEU 10 N 0.78 4.09 -0.38 3.92 1.02 -0.06 -0.90 118.68 127.15 2qkx s LEU 10 Ca 0.01 0.06 -0.16 0.00 0.02 0.00 0.00 54.13 54.05 2qkx s LEU 10 Cb -0.14 -2.25 0.00 0.00 0.02 0.00 0.00 46.19 43.83 2qkx s LEU 10 CO 0.02 -0.13 0.41 -0.69 0.02 0.00 0.00 176.35 175.98 2qkx s VAL 11 N 1.89 5.12 -0.38 -1.59 1.01 0.18 -1.43 120.40 125.20 2qkx s VAL 11 Ca 0.10 -0.10 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 2qkx s VAL 11 Cb -0.16 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.30 2qkx s VAL 11 CO 0.11 -0.25 0.83 -0.76 0.00 0.00 0.00 175.10 175.03 2qkx s LEU 12 N 2.11 4.09 -0.18 3.92 1.43 -0.57 -0.94 118.68 128.53 2qkx s LEU 12 Ca 0.13 0.38 0.20 0.00 -1.03 0.00 0.00 54.13 53.81 2qkx s LEU 12 Cb -0.17 -3.10 0.47 0.00 0.03 0.00 0.00 46.19 43.42 2qkx s LEU 12 CO 0.13 -0.80 1.15 0.00 0.23 0.00 0.00 176.35 177.06 2qkx n ALA 13 N 6.58 3.02 0.68 4.21 0.00 -0.58 -0.90 120.51 133.53 2qkx n ALA 13 Ca 0.04 -2.85 0.11 0.00 0.00 0.00 0.00 53.44 50.74 2qkx n ALA 13 Cb 0.48 -0.69 0.12 0.00 0.00 0.00 0.00 19.45 19.37 2qkx n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qkx n ALA 14 N -0.34 2.44 -0.74 0.00 0.00 -1.11 -4.19 120.51 116.58 2qkx n ALA 14 Ca 0.14 -0.77 -0.29 0.00 0.00 0.00 0.00 53.44 52.52 2qkx n ALA 14 Cb 0.92 -0.74 0.22 0.00 0.00 0.00 0.00 19.45 19.85 2qkx n ALA 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qkx s GLY 15 N -1.65 1.57 0.24 0.00 0.00 -1.26 -3.43 107.32 102.80 2qkx s GLY 15 Ca 0.28 -0.07 0.17 0.00 0.00 0.00 0.00 44.72 45.10 2qkx s GLY 15 CO 0.27 0.57 1.30 -0.56 0.00 0.00 0.00 173.10 174.68 2qkx h PRO 16 N -2.31 0.00 -2.22 2.90 0.14 -2.02 -3.42 132.00 125.06 2qkx h PRO 16 Ca -0.57 0.00 -0.34 0.00 0.14 0.00 0.00 66.00 65.23 2qkx h PRO 16 Cb 1.32 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 32.43 2qkx h PRO 16 CO 0.51 0.35 -0.42 0.41 0.14 0.00 0.00 178.00 178.99 2qkx n GLY 17 N 1.24 -0.10 0.31 1.56 0.00 -1.26 -4.85 105.19 102.10 2qkx n GLY 17 Ca -0.00 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 45.89 2qkx n GLY 17 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qkx h THR 18 N 0.00 1.07 0.00 2.61 2.02 -1.92 -2.77 112.91 113.92 2qkx h THR 18 Ca -0.39 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.61 2qkx h THR 18 Cb 1.27 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2qkx h THR 18 CO 0.48 0.09 -0.08 0.54 0.37 0.00 0.00 175.52 176.92 2qkx n ARG 19 N -4.48 0.01 0.23 6.66 1.74 -1.26 -1.56 116.66 118.01 2qkx n ARG 19 Ca 0.04 0.01 0.08 0.00 -0.77 0.00 0.00 57.85 57.21 2qkx n ARG 19 Cb 0.10 -1.51 0.56 0.00 -1.02 0.00 0.00 32.46 30.59 2qkx n ARG 19 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 2qkx h MET 20 N 0.00 0.00 -6.31 5.56 2.86 -1.31 -3.40 114.93 112.33 2qkx h MET 20 Ca 0.00 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 57.23 2qkx h MET 20 Cb 0.51 0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.21 2qkx h MET 20 CO 0.00 0.21 -0.86 0.54 1.06 0.00 0.00 176.91 177.87 2qkx n ARG 21 N -3.84 -1.17 -3.75 1.72 1.74 -0.60 -4.68 116.66 106.08 2qkx n ARG 21 Ca -0.02 0.61 -0.13 0.00 -0.77 0.00 0.00 57.85 57.54 2qkx n ARG 21 Cb 0.31 -3.75 -0.09 0.00 -1.02 0.00 0.00 32.46 27.91 2qkx n ARG 21 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qkx s SER 22 N -3.31 -0.25 0.23 0.55 0.15 -1.26 -5.02 113.70 104.79 2qkx s SER 22 Ca 0.32 0.28 0.26 0.00 0.70 0.00 0.00 55.95 57.50 2qkx s SER 22 Cb -0.12 0.43 0.85 0.00 -1.71 0.00 0.00 66.02 65.47 2qkx s SER 22 CO 0.87 -0.36 1.76 0.47 1.20 0.00 0.00 173.24 177.18 2qkx n ASP 23 N 1.72 0.81 -4.67 5.45 8.00 -1.26 -4.77 116.55 121.82 2qkx n ASP 23 Ca -0.19 0.60 -0.38 0.00 0.71 0.00 0.00 54.79 55.53 2qkx n ASP 23 Cb 0.56 -0.81 -0.07 0.00 -0.02 0.00 0.00 41.12 40.78 2qkx n ASP 23 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qkx s THR 24 N -3.16 5.18 0.45 -3.53 2.01 -1.26 -5.03 115.64 110.30 2qkx s THR 24 Ca 0.09 0.77 -0.24 0.00 0.31 0.00 0.00 61.69 62.62 2qkx s THR 24 Cb 0.11 -3.76 -0.09 0.00 0.01 0.00 0.00 72.50 68.78 2qkx s THR 24 CO 0.55 0.24 1.18 -2.65 -0.69 0.00 0.00 174.62 173.25 2qkx n PRO 25 N 4.51 1.66 -0.17 4.92 -0.02 -1.26 -4.81 135.00 139.84 2qkx n PRO 25 Ca -0.07 0.60 -0.06 0.00 -2.02 0.00 0.00 63.50 61.94 2qkx n PRO 25 Cb 0.51 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2qkx n PRO 25 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2qkx h LYS 26 N 1.73 -0.18 0.00 -0.52 3.64 -1.89 -0.10 116.57 119.26 2qkx h LYS 26 Ca -0.47 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2qkx h LYS 26 Cb 1.31 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2qkx h LYS 26 CO 0.58 -0.12 0.00 1.33 -2.27 0.00 0.00 179.45 178.97 2qkx n VAL 27 N -5.42 1.00 1.23 2.00 0.24 -1.26 -0.39 118.33 115.72 2qkx n VAL 27 Ca 0.03 0.33 0.14 0.00 -2.04 0.00 0.00 64.34 62.79 2qkx n VAL 27 Cb 0.34 -1.22 0.51 0.00 -1.47 0.00 0.00 33.84 32.00 2qkx n VAL 27 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2qkx n LEU 28 N -1.98 0.46 -4.77 1.34 4.77 -0.05 -2.05 117.00 114.72 2qkx n LEU 28 Ca 0.02 0.06 -0.40 0.00 -0.03 0.00 0.00 56.01 55.66 2qkx n LEU 28 Cb 0.17 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 2qkx n LEU 28 CO 0.15 0.09 0.94 -1.00 -1.33 0.00 0.00 177.39 176.24 2qkx s HIS 29 N -2.68 2.94 0.15 -1.77 3.76 0.48 -4.66 115.29 113.51 2qkx s HIS 29 Ca 0.22 1.44 0.04 0.00 -0.15 0.00 0.00 55.06 56.61 2qkx s HIS 29 Cb 0.19 -3.62 -0.04 0.00 1.11 0.00 0.00 32.58 30.23 2qkx s HIS 29 CO 0.54 -1.86 0.21 -0.08 -0.85 0.00 0.00 174.74 172.69 2qkx s THR 30 N -1.25 4.92 -0.29 1.30 -1.32 -1.26 -1.40 115.64 116.33 2qkx s THR 30 Ca 0.54 -0.86 -0.01 0.00 -1.21 0.00 0.00 61.69 60.15 2qkx s THR 30 Cb -0.37 -3.52 0.19 0.00 -1.51 0.00 0.00 72.50 67.29 2qkx s THR 30 CO 0.48 -0.09 0.72 -0.22 -2.21 0.00 0.00 174.62 173.30 2qkx s LEU 31 N -3.14 -1.24 -1.50 9.08 2.96 0.11 -4.89 118.68 120.07 2qkx s LEU 31 Ca 0.33 0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 54.54 2qkx s LEU 31 Cb -0.11 1.87 0.02 0.00 0.50 0.00 0.00 46.19 48.48 2qkx s LEU 31 CO 0.26 -0.23 0.58 0.00 -1.32 0.00 0.00 176.35 175.64 2qkx n ALA 32 N 5.38 -0.99 -0.17 5.97 0.00 -1.26 -2.67 120.51 126.76 2qkx n ALA 32 Ca 0.03 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2qkx n ALA 32 Cb 0.54 -3.63 0.00 0.00 0.00 0.00 0.00 19.45 16.35 2qkx n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qkx n GLY 33 N -1.44 0.59 3.01 0.00 0.00 -1.26 -1.39 105.19 104.69 2qkx n GLY 33 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2qkx n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qkx s ARG 34 N -0.81 0.38 0.60 1.61 0.52 -1.09 -4.97 118.95 115.19 2qkx s ARG 34 Ca 0.00 -0.73 -0.15 0.00 -0.52 0.00 0.00 55.73 54.33 2qkx s ARG 34 Cb 0.00 0.09 -0.03 0.00 0.52 0.00 0.00 34.95 35.52 2qkx s ARG 34 CO 0.00 -0.05 1.06 -1.54 0.02 0.00 0.00 175.30 174.79 2qkx s SER 35 N -1.72 5.74 0.31 0.23 1.04 -1.26 0.08 113.70 118.11 2qkx s SER 35 Ca -0.11 1.80 0.06 0.00 0.48 0.00 0.00 55.95 58.17 2qkx s SER 35 Cb -0.07 -2.53 0.72 0.00 0.10 0.00 0.00 66.02 64.24 2qkx s SER 35 CO -0.02 -1.20 1.80 0.24 0.98 0.00 0.00 173.24 175.04 2qkx h MET 36 N 0.32 0.78 -0.52 4.02 0.00 -0.88 0.47 114.93 119.11 2qkx h MET 36 Ca -0.47 -0.05 -0.09 0.00 0.00 0.00 0.00 59.70 59.09 2qkx h MET 36 Cb 1.22 -0.18 -0.02 0.00 0.00 0.00 0.00 31.60 32.62 2qkx h MET 36 CO 0.57 0.51 -0.05 1.25 0.00 0.00 0.00 176.91 179.19 2qkx h LEU 37 N 0.80 0.91 -0.35 1.22 5.85 -1.51 -2.38 115.31 119.84 2qkx h LEU 37 Ca 0.55 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2qkx h LEU 37 Cb 0.80 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2qkx h LEU 37 CO -0.33 1.00 0.19 -1.28 -0.34 0.00 0.00 178.44 177.68 2qkx h SER 38 N 0.84 0.45 -0.20 1.25 0.87 -1.21 -0.20 113.55 115.35 2qkx h SER 38 Ca 0.15 -0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.66 2qkx h SER 38 Cb 0.57 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.37 2qkx h SER 38 CO 0.03 0.41 -0.13 0.45 -0.53 0.00 0.00 176.83 177.07 2qkx h HIS 39 N 0.45 -0.33 -0.53 2.24 3.86 -1.26 -0.85 115.15 118.73 2qkx h HIS 39 Ca 0.12 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 2qkx h HIS 39 Cb 0.07 0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 2qkx h HIS 39 CO -0.03 -0.20 -0.05 0.28 0.86 0.00 0.00 177.93 178.80 2qkx h VAL 40 N -0.13 1.26 -0.28 2.45 2.07 -1.27 -0.27 116.25 120.09 2qkx h VAL 40 Ca 0.11 -1.16 -0.18 0.00 0.82 0.00 0.00 66.70 66.29 2qkx h VAL 40 Cb 0.30 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2qkx h VAL 40 CO -0.28 0.41 -0.53 -0.07 0.02 0.00 0.00 177.57 177.13 2qkx h LEU 41 N 0.86 0.91 0.42 2.57 3.38 -0.88 -2.04 115.31 120.53 2qkx h LEU 41 Ca 0.15 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 2qkx h LEU 41 Cb 0.58 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2qkx h LEU 41 CO 0.03 1.26 -0.42 0.45 0.09 0.00 0.00 178.44 179.85 2qkx h HIS 42 N 0.63 -1.16 -0.75 1.13 3.86 -0.95 0.15 115.15 118.07 2qkx h HIS 42 Ca 0.02 0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.38 2qkx h HIS 42 Cb 1.12 0.45 -0.14 0.00 1.06 0.00 0.00 27.41 29.90 2qkx h HIS 42 CO 0.07 -0.56 -0.24 0.00 0.86 0.00 0.00 177.93 178.06 2qkx h ALA 43 N -1.06 0.36 0.46 2.45 0.00 -1.09 -2.23 119.26 118.15 2qkx h ALA 43 Ca -0.05 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2qkx h ALA 43 Cb 0.73 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2qkx h ALA 43 CO -0.05 -0.48 -0.22 0.82 0.00 0.00 0.00 179.25 179.32 2qkx h ILE 44 N -0.04 0.50 -1.08 0.00 2.04 -1.19 -3.07 117.51 114.68 2qkx h ILE 44 Ca 0.34 -0.32 0.34 0.00 1.00 0.00 0.00 64.86 66.22 2qkx h ILE 44 Cb 0.56 0.64 -0.13 0.00 -0.74 0.00 0.00 36.82 37.15 2qkx h ILE 44 CO -0.78 0.05 0.65 0.00 0.00 0.00 0.00 178.15 178.07 2qkx h ALA 45 N -0.39 2.19 -0.76 1.87 0.00 -0.26 -0.11 119.26 121.81 2qkx h ALA 45 Ca -0.06 0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.14 2qkx h ALA 45 Cb 0.56 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2qkx h ALA 45 CO 0.10 -0.77 0.50 1.57 0.00 0.00 0.00 179.25 180.65 2qkx h LYS 46 N 0.28 0.45 0.00 0.00 -0.00 -1.31 0.89 116.57 116.87 2qkx h LYS 46 Ca 0.73 -0.03 0.00 0.00 -0.00 0.00 0.00 60.65 61.36 2qkx h LYS 46 Cb 1.86 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 33.99 2qkx h LYS 46 CO -0.51 0.29 -0.23 -0.07 -0.00 0.00 0.00 179.45 178.94 2qkx h LEU 47 N 0.46 0.00 -2.49 7.07 3.38 -1.11 -3.46 115.31 119.16 2qkx h LEU 47 Ca 0.37 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.23 2qkx h LEU 47 Cb 0.79 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.61 2qkx h LEU 47 CO -0.13 0.01 -0.30 0.00 0.09 0.00 0.00 178.44 178.12 2qkx n ALA 48 N -2.02 -2.28 -1.12 1.53 0.00 0.30 -0.49 120.51 116.44 2qkx n ALA 48 Ca 0.04 0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 2qkx n ALA 48 Cb 0.50 -2.81 0.14 0.00 0.00 0.00 0.00 19.45 17.28 2qkx n ALA 48 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qkx s PRO 49 N -3.48 1.28 0.26 0.00 0.04 -1.26 -4.67 135.00 127.16 2qkx s PRO 49 Ca 0.16 0.97 0.04 0.00 0.04 0.00 0.00 61.00 62.21 2qkx s PRO 49 Cb -0.02 -1.80 0.33 0.00 0.04 0.00 0.00 34.50 33.05 2qkx s PRO 49 CO 0.63 -2.27 1.63 0.37 0.04 0.00 0.00 177.00 177.40 2qkx h GLN 50 N -1.57 0.31 -5.44 4.56 4.15 0.57 -3.45 115.11 114.24 2qkx h GLN 50 Ca -0.48 -0.17 -0.43 0.00 0.77 0.00 0.00 58.65 58.34 2qkx h GLN 50 Cb 1.27 0.01 -0.21 0.00 0.21 0.00 0.00 27.48 28.76 2qkx h GLN 50 CO 0.52 0.73 -0.78 1.03 -1.93 0.00 0.00 178.83 178.40 2qkx s ARG 51 N -4.03 0.87 -0.13 1.69 1.81 -1.07 -5.02 118.95 113.08 2qkx s ARG 51 Ca -0.05 -1.00 -0.04 0.00 -1.72 0.00 0.00 55.73 52.92 2qkx s ARG 51 Cb 0.13 -0.89 0.06 0.00 -0.45 0.00 0.00 34.95 33.79 2qkx s ARG 51 CO 0.79 0.20 0.13 -1.17 -0.68 0.00 0.00 175.30 174.57 2qkx s LEU 52 N -1.82 0.09 -0.17 2.53 0.20 -1.26 -2.39 118.68 115.87 2qkx s LEU 52 Ca -0.00 -0.12 0.01 0.00 0.69 0.00 0.00 54.13 54.70 2qkx s LEU 52 Cb -0.10 0.05 0.03 0.00 -0.43 0.00 0.00 46.19 45.74 2qkx s LEU 52 CO 0.03 -0.29 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.01 2qkx s ILE 53 N 2.23 1.70 -0.32 6.68 1.01 -0.08 -0.81 121.20 131.61 2qkx s ILE 53 Ca 0.04 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 2qkx s ILE 53 Cb -0.14 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 2qkx s ILE 53 CO -0.07 0.42 0.21 -0.69 0.00 0.00 0.00 174.94 174.81 2qkx s VAL 54 N 1.42 5.16 -0.44 2.92 1.01 0.41 0.49 120.40 131.38 2qkx s VAL 54 Ca 0.04 -0.16 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 2qkx s VAL 54 Cb -0.13 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2qkx s VAL 54 CO -0.11 0.07 0.85 -0.69 0.00 0.00 0.00 175.10 175.23 2qkx s VAL 55 N 1.71 4.58 0.07 2.92 1.01 -0.12 -1.46 120.40 129.11 2qkx s VAL 55 Ca 0.06 0.66 0.02 0.00 0.00 0.00 0.00 61.98 62.72 2qkx s VAL 55 Cb -0.17 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 2qkx s VAL 55 CO 0.10 -0.73 0.14 -0.76 0.00 0.00 0.00 175.10 173.85 2qkx s LEU 56 N 3.48 4.06 0.00 3.92 1.02 0.56 -1.53 118.68 130.20 2qkx s LEU 56 Ca 0.34 0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.60 2qkx s LEU 56 Cb -0.11 -2.70 0.00 0.00 0.02 0.00 0.00 46.19 43.40 2qkx s LEU 56 CO 0.23 0.17 0.00 0.61 0.02 0.00 0.00 176.35 177.38 2qkx n GLY 57 N 0.35 4.47 0.00 -3.19 0.00 -1.26 -1.08 105.19 104.48 2qkx n GLY 57 Ca -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2qkx n GLY 57 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2qkx n HIS 58 N 0.00 0.00 -1.23 1.61 -0.00 -1.22 -1.19 115.22 113.19 2qkx n HIS 58 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 2qkx n HIS 58 Cb 0.00 0.00 0.23 0.00 -0.00 0.00 0.00 29.99 30.22 2qkx n HIS 58 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2qkx n ASP 59 N -0.51 3.60 -0.31 4.39 8.00 -1.26 -4.78 116.55 125.68 2qkx n ASP 59 Ca 0.00 -3.50 0.13 0.00 0.71 0.00 0.00 54.79 52.13 2qkx n ASP 59 Cb 0.00 -0.71 0.31 0.00 -0.02 0.00 0.00 41.12 40.70 2qkx n ASP 59 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 2qkx h HIS 60 N 1.51 0.68 -0.73 1.24 2.07 -1.49 -0.84 115.15 117.58 2qkx h HIS 60 Ca 0.33 0.04 0.23 0.00 -2.85 0.00 0.00 60.37 58.12 2qkx h HIS 60 Cb 2.16 -0.16 -0.13 0.00 2.57 0.00 0.00 27.41 31.85 2qkx h HIS 60 CO 1.20 -0.03 0.11 1.04 -3.07 0.00 0.00 177.93 177.18 2qkx n GLN 61 N -5.03 -0.05 -0.09 5.12 1.13 -1.26 -0.65 117.38 116.55 2qkx n GLN 61 Ca 0.22 1.07 -0.08 0.00 -1.94 0.00 0.00 57.00 56.27 2qkx n GLN 61 Cb 0.65 -1.75 -0.15 0.00 0.11 0.00 0.00 30.24 29.10 2qkx n GLN 61 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2qkx n ARG 62 N -4.91 0.87 0.00 -1.09 1.74 -0.34 -4.46 116.66 108.48 2qkx n ARG 62 Ca 0.20 -0.03 -0.17 0.00 -0.77 0.00 0.00 57.85 57.08 2qkx n ARG 62 Cb 0.66 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.50 2qkx n ARG 62 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2qkx h ILE 63 N 0.00 1.44 -0.36 0.55 2.04 -1.27 -3.41 117.51 116.50 2qkx h ILE 63 Ca -0.47 -2.09 0.05 0.00 1.00 0.00 0.00 64.86 63.34 2qkx h ILE 63 Cb 2.06 2.64 -0.08 0.00 -0.74 0.00 0.00 36.82 40.70 2qkx h ILE 63 CO 0.03 0.60 -0.55 0.00 0.00 0.00 0.00 178.15 178.23 2qkx h ALA 64 N 0.30 -0.80 -1.31 1.87 0.00 -1.10 -0.42 119.26 117.80 2qkx h ALA 64 Ca -0.07 -0.01 0.47 0.00 0.00 0.00 0.00 54.91 55.29 2qkx h ALA 64 Cb 1.30 1.10 -0.15 0.00 0.00 0.00 0.00 17.79 20.05 2qkx h ALA 64 CO 0.11 -1.05 0.83 -2.30 0.00 0.00 0.00 179.25 176.84 2qkx n PRO 65 N -5.33 -0.04 0.09 0.00 -0.02 -1.26 -0.96 135.00 127.48 2qkx n PRO 65 Ca -0.04 1.27 -0.19 0.00 -2.02 0.00 0.00 63.50 62.52 2qkx n PRO 65 Cb 0.34 -2.46 -0.11 0.00 -0.02 0.00 0.00 33.50 31.25 2qkx n PRO 65 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2qkx h LEU 66 N 0.00 0.69 -0.63 2.45 3.38 -1.32 -0.76 115.31 119.12 2qkx h LEU 66 Ca 0.87 -0.64 0.10 0.00 0.09 0.00 0.00 57.88 58.30 2qkx h LEU 66 Cb 2.73 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 43.19 2qkx h LEU 66 CO -0.51 1.46 0.25 0.58 0.09 0.00 0.00 178.44 180.31 2qkx h VAL 67 N 0.21 0.78 -0.19 1.22 2.07 -0.94 0.39 116.25 119.79 2qkx h VAL 67 Ca -0.15 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.09 2qkx h VAL 67 Cb 1.85 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2qkx h VAL 67 CO 0.21 0.08 -0.45 1.23 0.02 0.00 0.00 177.57 178.67 2qkx h GLY 68 N 0.44 0.50 0.74 2.17 0.00 -1.39 0.60 103.07 106.12 2qkx h GLY 68 Ca 0.32 -0.51 0.03 0.00 0.00 0.00 0.00 47.33 47.17 2qkx h GLY 68 CO -0.31 0.46 0.04 0.83 0.00 0.00 0.00 176.54 177.57 2qkx h GLU 69 N 0.37 0.13 -0.52 4.80 5.08 -0.28 -2.76 114.58 121.40 2qkx h GLU 69 Ca 0.03 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2qkx h GLU 69 Cb 0.93 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 2qkx h GLU 69 CO 0.08 0.08 0.04 -0.07 -1.00 0.00 0.00 179.01 178.14 2qkx h LEU 70 N 0.13 0.86 -1.32 1.33 3.38 0.26 -3.05 115.31 116.89 2qkx h LEU 70 Ca 0.10 -0.29 0.24 0.00 0.09 0.00 0.00 57.88 58.03 2qkx h LEU 70 Cb 0.10 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.53 2qkx h LEU 70 CO -0.14 0.94 0.64 0.00 0.09 0.00 0.00 178.44 179.97 2qkx h ALA 71 N 0.96 2.12 0.31 1.53 0.00 0.32 -1.41 119.26 123.09 2qkx h ALA 71 Ca 0.15 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2qkx h ALA 71 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2qkx h ALA 71 CO 0.02 -0.51 -0.15 -0.44 0.00 0.00 0.00 179.25 178.17 2qkx h ASP 72 N 0.46 -0.35 -0.76 0.00 5.19 -1.39 -2.34 116.42 117.23 2qkx h ASP 72 Ca 0.57 -0.06 0.14 0.00 -0.62 0.00 0.00 57.03 57.06 2qkx h ASP 72 Cb 1.35 0.09 -0.14 0.00 0.18 0.00 0.00 39.33 40.81 2qkx h ASP 72 CO -0.30 0.11 -0.23 0.41 -3.12 0.00 0.00 179.24 176.12 2qkx n THR 73 N -5.05 -0.35 1.43 0.35 -1.04 -1.06 0.11 114.28 108.66 2qkx n THR 73 Ca -0.06 1.76 0.02 0.00 -2.04 0.00 0.00 64.05 63.73 2qkx n THR 73 Cb 0.20 -2.39 0.07 0.00 -1.82 0.00 0.00 70.33 66.39 2qkx n THR 73 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2qkx n LEU 74 N -5.20 0.92 -3.86 -4.42 4.77 -0.56 -4.94 117.00 103.72 2qkx n LEU 74 Ca 0.11 -0.46 -0.33 0.00 -0.03 0.00 0.00 56.01 55.30 2qkx n LEU 74 Cb 0.35 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 2qkx n LEU 74 CO -0.10 0.21 -0.18 0.61 -1.33 0.00 0.00 177.39 176.61 2qkx n GLY 75 N 0.68 -0.88 3.57 -0.72 0.00 0.12 -4.93 105.19 103.03 2qkx n GLY 75 Ca 0.05 0.38 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 2qkx n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qkx s ARG 76 N -6.05 0.63 -0.05 1.61 3.52 -0.89 -5.06 118.95 112.66 2qkx s ARG 76 Ca 0.25 0.10 -0.24 0.00 -0.13 0.00 0.00 55.73 55.72 2qkx s ARG 76 Cb -0.14 0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 33.51 2qkx s ARG 76 CO 0.80 -0.21 0.71 -0.08 -0.81 0.00 0.00 175.30 175.71 2qkx s THR 77 N -1.32 4.99 -0.16 4.11 -1.32 -1.26 -4.39 115.64 116.29 2qkx s THR 77 Ca -0.01 1.47 0.01 0.00 -1.21 0.00 0.00 61.69 61.95 2qkx s THR 77 Cb -0.00 -4.05 0.02 0.00 -1.51 0.00 0.00 72.50 66.96 2qkx s THR 77 CO 0.01 0.28 -0.18 -0.63 -2.21 0.00 0.00 174.62 171.89 2qkx s ILE 78 N 0.62 1.85 0.33 5.08 1.01 -1.26 -4.60 121.20 124.24 2qkx s ILE 78 Ca 0.38 -0.82 -0.19 0.00 0.00 0.00 0.00 60.65 60.02 2qkx s ILE 78 Cb -0.18 -1.69 -0.09 0.00 0.01 0.00 0.00 42.46 40.50 2qkx s ILE 78 CO 0.19 0.51 0.81 -1.81 0.00 0.00 0.00 174.94 174.64 2qkx s ASP 79 N 1.28 6.93 -0.20 3.58 1.01 0.01 -4.90 116.67 124.37 2qkx s ASP 79 Ca 0.03 1.47 0.01 0.00 0.71 0.00 0.00 52.55 54.77 2qkx s ASP 79 Cb -0.13 -2.45 0.04 0.00 1.01 0.00 0.00 42.92 41.39 2qkx s ASP 79 CO -0.10 -0.19 -0.11 -0.69 0.21 0.00 0.00 175.17 174.29 2qkx s VAL 80 N -1.92 1.68 -0.12 -1.27 1.01 -1.26 -0.44 120.40 118.07 2qkx s VAL 80 Ca 0.54 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 2qkx s VAL 80 Cb -0.12 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 2qkx s VAL 80 CO 0.17 0.18 0.10 0.00 0.00 0.00 0.00 175.10 175.55 2qkx s ALA 81 N 1.38 3.67 -0.24 5.51 0.00 -0.53 -4.96 121.76 126.58 2qkx s ALA 81 Ca -0.01 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 2qkx s ALA 81 Cb -0.16 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 2qkx s ALA 81 CO -0.08 0.53 0.09 -0.51 0.00 0.00 0.00 175.76 175.79 2qkx s LEU 82 N -0.75 3.63 -0.30 0.00 1.43 -1.26 -0.32 118.68 121.11 2qkx s LEU 82 Ca 0.13 -0.11 -0.18 0.00 -1.03 0.00 0.00 54.13 52.93 2qkx s LEU 82 Cb -0.12 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 2qkx s LEU 82 CO 0.03 0.00 0.54 -1.58 0.23 0.00 0.00 176.35 175.57 2qkx s GLN 83 N 1.41 3.89 -0.00 1.70 0.74 -0.24 -4.97 119.66 122.19 2qkx s GLN 83 Ca 0.06 0.16 -0.05 0.00 0.05 0.00 0.00 55.36 55.58 2qkx s GLN 83 Cb -0.15 -3.72 -0.03 0.00 1.10 0.00 0.00 33.01 30.22 2qkx s GLN 83 CO 0.05 -0.49 0.60 -0.44 -0.55 0.00 0.00 175.29 174.46 2qkx h ASP 84 N 8.20 -0.14 -3.17 6.67 3.32 -1.96 -3.41 116.42 125.93 2qkx h ASP 84 Ca -0.28 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.19 2qkx h ASP 84 Cb 1.13 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 2qkx h ASP 84 CO 0.75 -0.05 -0.24 -0.13 -1.72 0.00 0.00 179.24 177.86 2qkx s ARG 85 N -2.49 3.75 -1.39 3.56 0.52 -1.26 -4.87 118.95 116.77 2qkx s ARG 85 Ca -0.02 0.15 -0.13 0.00 -0.52 0.00 0.00 55.73 55.20 2qkx s ARG 85 Cb 0.00 -2.93 0.08 0.00 0.52 0.00 0.00 34.95 32.62 2qkx s ARG 85 CO 0.07 0.51 2.05 -0.35 0.02 0.00 0.00 175.30 177.61 2qkx n PRO 86 N 0.62 3.09 -0.88 3.54 -0.04 -1.26 -4.65 135.00 135.43 2qkx n PRO 86 Ca -0.06 -2.95 -0.17 0.00 -0.04 0.00 0.00 63.50 60.28 2qkx n PRO 86 Cb 0.52 -3.23 0.12 0.00 -0.04 0.00 0.00 33.50 30.88 2qkx n PRO 86 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2qkx n LEU 87 N 5.89 5.70 0.00 1.53 4.77 -1.26 -4.99 117.00 128.64 2qkx n LEU 87 Ca 0.48 -3.02 0.00 0.00 -0.03 0.00 0.00 56.01 53.44 2qkx n LEU 87 Cb 0.39 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2qkx n LEU 87 CO 0.85 0.91 0.00 0.61 -1.33 0.00 0.00 177.39 178.43 2qkx n GLY 88 N -0.65 2.56 0.36 -0.72 0.00 -1.26 -2.38 105.19 103.11 2qkx n GLY 88 Ca 0.42 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.66 2qkx n GLY 88 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qkx h THR 89 N 0.00 0.89 -0.32 2.61 1.35 -1.92 -1.80 112.91 113.72 2qkx h THR 89 Ca 0.00 -0.17 -0.06 0.00 -0.55 0.00 0.00 66.41 65.63 2qkx h THR 89 Cb 0.00 0.35 -0.01 0.00 -1.73 0.00 0.00 68.15 66.76 2qkx h THR 89 CO 0.00 0.09 -0.05 1.23 -0.25 0.00 0.00 175.52 176.54 2qkx h GLY 90 N 0.49 0.65 0.88 5.82 0.00 -1.58 -2.08 103.07 107.25 2qkx h GLY 90 Ca 0.32 -0.52 0.03 0.00 0.00 0.00 0.00 47.33 47.17 2qkx h GLY 90 CO -0.10 0.47 0.58 0.84 0.00 0.00 0.00 176.54 178.33 2qkx h HIS 91 N 0.38 1.09 -0.73 5.60 6.17 -1.58 0.19 115.15 126.27 2qkx h HIS 91 Ca 0.08 0.03 0.10 0.00 0.71 0.00 0.00 60.37 61.30 2qkx h HIS 91 Cb 0.53 -0.36 -0.08 0.00 2.52 0.00 0.00 27.41 30.02 2qkx h HIS 91 CO 0.05 0.63 0.36 0.00 0.71 0.00 0.00 177.93 179.67 2qkx h ALA 92 N 1.37 1.02 0.02 5.26 0.00 -0.95 0.30 119.26 126.29 2qkx h ALA 92 Ca 0.36 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 2qkx h ALA 92 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qkx h ALA 92 CO -0.12 -0.07 -0.01 0.28 0.00 0.00 0.00 179.25 179.33 2qkx h VAL 93 N 0.58 1.25 -1.05 0.00 2.07 -0.56 -0.45 116.25 118.09 2qkx h VAL 93 Ca 0.37 -0.87 0.28 0.00 0.82 0.00 0.00 66.70 67.29 2qkx h VAL 93 Cb 0.43 1.84 -0.10 0.00 -1.52 0.00 0.00 31.29 31.93 2qkx h VAL 93 CO -0.30 0.22 0.67 -0.07 0.02 0.00 0.00 177.57 178.11 2qkx h LEU 94 N -0.41 0.47 -0.11 2.57 3.38 -0.28 0.58 115.31 121.51 2qkx h LEU 94 Ca -0.00 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2qkx h LEU 94 Cb 0.39 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2qkx h LEU 94 CO 0.01 0.06 -0.01 0.00 0.09 0.00 0.00 178.44 178.59 2qkx h GLY 96 N -0.08 0.82 2.00 0.00 0.00 0.76 -1.97 103.07 104.60 2qkx h GLY 96 Ca 0.03 0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 2qkx h GLY 96 CO 0.01 -0.32 -0.30 1.41 0.00 0.00 0.00 176.54 177.34 2qkx h LEU 97 N 0.06 0.00 0.00 3.11 3.38 -1.20 -2.35 115.31 118.31 2qkx h LEU 97 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2qkx h LEU 97 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2qkx h LEU 97 CO -0.74 0.30 0.20 -0.24 0.09 0.00 0.00 178.44 178.05 2qkx n SER 98 N -4.15 0.00 -0.51 -0.43 2.88 -0.74 -1.16 113.62 109.51 2qkx n SER 98 Ca -0.02 0.27 0.07 0.00 -1.33 0.00 0.00 58.87 57.86 2qkx n SER 98 Cb 0.35 -0.27 0.05 0.00 -0.75 0.00 0.00 64.21 63.58 2qkx n SER 98 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qkx n ALA 99 N -1.26 2.56 -2.90 -1.46 0.00 -0.88 -4.96 120.51 111.61 2qkx n ALA 99 Ca 0.00 -0.59 -0.25 0.00 0.00 0.00 0.00 53.44 52.60 2qkx n ALA 99 Cb 0.20 -0.47 -0.04 0.00 0.00 0.00 0.00 19.45 19.15 2qkx n ALA 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qkx s LEU 100 N -1.26 4.14 0.59 0.00 1.02 -0.31 -5.10 118.68 117.76 2qkx s LEU 100 Ca 0.15 0.03 -0.19 0.00 0.02 0.00 0.00 54.13 54.14 2qkx s LEU 100 Cb 0.11 -2.71 -0.05 0.00 0.02 0.00 0.00 46.19 43.57 2qkx s LEU 100 CO 0.20 0.03 1.04 -2.65 0.02 0.00 0.00 176.35 174.99 2qkx n PRO 101 N -0.69 1.04 0.09 1.29 -0.02 -1.26 -4.85 135.00 130.60 2qkx n PRO 101 Ca -0.08 0.40 0.06 0.00 -2.02 0.00 0.00 63.50 61.86 2qkx n PRO 101 Cb 0.55 -2.24 0.31 0.00 -0.02 0.00 0.00 33.50 32.10 2qkx n PRO 101 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2qkx n ASP 102 N -0.80 0.30 -1.15 2.55 8.00 -1.26 -2.33 116.55 121.85 2qkx n ASP 102 Ca 0.13 0.62 0.04 0.00 0.71 0.00 0.00 54.79 56.30 2qkx n ASP 102 Cb 0.46 -0.65 0.10 0.00 -0.02 0.00 0.00 41.12 41.01 2qkx n ASP 102 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2qkx n ASP 103 N -1.90 1.38 -4.67 -2.24 5.68 -1.26 -5.05 116.55 108.50 2qkx n ASP 103 Ca -0.01 -2.85 -0.42 0.00 -0.50 0.00 0.00 54.79 51.01 2qkx n ASP 103 Cb 0.05 -0.40 -0.03 0.00 -1.14 0.00 0.00 41.12 39.60 2qkx n ASP 103 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qkx n TYR 104 N -0.24 2.53 0.31 2.11 9.36 -0.98 -4.88 117.16 125.38 2qkx n TYR 104 Ca 0.12 -0.33 0.12 0.00 3.32 0.00 0.00 57.90 61.13 2qkx n TYR 104 Cb 0.94 -2.79 0.16 0.00 -0.63 0.00 0.00 39.34 37.02 2qkx n TYR 104 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2qkx h ALA 105 N 10.18 0.78 -2.33 2.98 0.00 -1.94 -3.47 119.26 125.45 2qkx h ALA 105 Ca -0.49 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 53.93 2qkx h ALA 105 Cb 1.24 0.00 0.15 0.00 0.00 0.00 0.00 17.79 19.18 2qkx h ALA 105 CO 0.94 0.00 0.25 0.20 0.00 0.00 0.00 179.25 180.64 2qkx s GLY 106 N -4.06 1.62 0.66 0.00 0.00 -1.26 -4.76 107.32 99.51 2qkx s GLY 106 Ca 0.05 -0.02 -0.15 0.00 0.00 0.00 0.00 44.72 44.60 2qkx s GLY 106 CO 0.70 0.46 1.11 -1.31 0.00 0.00 0.00 173.10 174.06 2qkx s ASN 107 N -3.38 5.11 -0.12 1.64 0.01 -1.17 -4.23 114.94 112.80 2qkx s ASN 107 Ca 0.63 2.01 0.03 0.00 -0.71 0.00 0.00 52.86 54.83 2qkx s ASN 107 Cb -0.18 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.93 2qkx s ASN 107 CO 0.57 -1.63 -0.23 -0.69 -1.51 0.00 0.00 177.10 173.61 2qkx s VAL 108 N -2.32 2.09 -0.21 1.60 1.01 -0.81 -2.01 120.40 119.75 2qkx s VAL 108 Ca 0.67 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 2qkx s VAL 108 Cb -0.21 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2qkx s VAL 108 CO 0.41 0.55 -0.06 -0.69 0.00 0.00 0.00 175.10 175.32 2qkx s VAL 109 N 0.52 3.28 -0.25 2.92 1.01 -0.42 0.35 120.40 127.81 2qkx s VAL 109 Ca -0.14 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 2qkx s VAL 109 Cb -0.17 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2qkx s VAL 109 CO 0.05 0.44 0.07 -0.69 0.00 0.00 0.00 175.10 174.97 2qkx s VAL 110 N 1.39 4.30 0.35 2.92 1.01 -0.84 -0.88 120.40 128.65 2qkx s VAL 110 Ca 0.05 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.85 2qkx s VAL 110 Cb -0.14 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2qkx s VAL 110 CO -0.03 0.31 0.12 1.07 0.00 0.00 0.00 175.10 176.57 2qkx n THR 111 N 4.92 0.00 -4.41 3.92 5.66 -0.51 -0.25 114.28 123.61 2qkx n THR 111 Ca -0.16 -2.00 -0.25 0.00 -3.05 0.00 0.00 64.05 58.59 2qkx n THR 111 Cb 0.51 0.70 -0.09 0.00 -1.55 0.00 0.00 70.33 69.90 2qkx n THR 111 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2qkx s SER 112 N -3.11 4.04 0.04 1.09 0.15 -1.26 -1.51 113.70 113.13 2qkx s SER 112 Ca 0.17 -1.08 0.26 0.00 0.70 0.00 0.00 55.95 55.99 2qkx s SER 112 Cb 0.01 -0.47 0.61 0.00 -1.71 0.00 0.00 66.02 64.46 2qkx s SER 112 CO 0.12 -0.25 1.50 0.61 1.20 0.00 0.00 173.24 176.41 2qkx n GLY 113 N -0.92 -1.35 1.39 9.45 0.00 -0.08 -4.31 105.19 109.37 2qkx n GLY 113 Ca -0.04 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 2qkx n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qkx n ASP 114 N -1.68 3.22 -3.64 1.61 5.68 -1.26 -3.80 116.55 116.67 2qkx n ASP 114 Ca 0.05 -3.79 -0.27 0.00 -0.50 0.00 0.00 54.79 50.27 2qkx n ASP 114 Cb 0.37 -0.62 -0.10 0.00 -1.14 0.00 0.00 41.12 39.62 2qkx n ASP 114 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2qkx n THR 115 N -1.05 1.40 0.44 2.12 -2.24 -1.26 -1.67 114.28 112.03 2qkx n THR 115 Ca 0.37 -4.77 0.13 0.00 -2.27 0.00 0.00 64.05 57.51 2qkx n THR 115 Cb 1.00 -2.09 0.47 0.00 -2.10 0.00 0.00 70.33 67.62 2qkx n THR 115 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2qkx h PRO 116 N 4.93 0.00 0.00 -0.78 0.13 -1.83 -2.69 132.00 131.76 2qkx h PRO 116 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2qkx h PRO 116 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2qkx h PRO 116 CO 0.70 0.00 -0.43 1.28 -0.23 0.00 0.00 178.00 179.32 2qkx n LEU 117 N -2.37 0.66 -4.69 1.56 4.32 -1.26 -4.66 117.00 110.55 2qkx n LEU 117 Ca 0.03 0.30 -0.56 0.00 -0.02 0.00 0.00 56.01 55.75 2qkx n LEU 117 Cb 0.31 -0.24 -0.07 0.00 -1.62 0.00 0.00 43.42 41.80 2qkx n LEU 117 CO 0.24 -0.06 1.26 -0.11 -1.22 0.00 0.00 177.39 177.51 2qkx n LEU 118 N -2.04 2.31 -4.82 2.23 7.94 -0.18 -4.65 117.00 117.80 2qkx n LEU 118 Ca 0.04 1.08 -0.31 0.00 -1.11 0.00 0.00 56.01 55.71 2qkx n LEU 118 Cb 0.42 -1.16 -0.05 0.00 0.53 0.00 0.00 43.42 43.16 2qkx n LEU 118 CO 0.34 -0.51 -0.15 1.51 -1.11 0.00 0.00 177.39 177.47 2qkx s ASP 119 N 3.07 4.31 0.12 1.96 1.47 -1.26 -4.83 116.67 121.52 2qkx s ASP 119 Ca 0.96 -1.52 -0.19 0.00 1.18 0.00 0.00 52.55 52.98 2qkx s ASP 119 Cb -1.04 0.51 -0.06 0.00 -0.34 0.00 0.00 42.92 41.99 2qkx s ASP 119 CO 0.62 -0.96 1.77 0.00 0.68 0.00 0.00 175.17 177.29 2qkx h ALA 120 N 1.12 0.28 -0.05 2.11 0.00 -1.93 -3.00 119.26 117.79 2qkx h ALA 120 Ca -0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2qkx h ALA 120 Cb 1.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2qkx h ALA 120 CO 0.68 -0.24 0.00 -0.44 0.00 0.00 0.00 179.25 179.25 2qkx h ASP 121 N 0.29 0.08 -0.61 0.00 3.32 -1.99 -1.32 116.42 116.19 2qkx h ASP 121 Ca 0.08 -0.30 0.12 0.00 0.02 0.00 0.00 57.03 56.95 2qkx h ASP 121 Cb -0.02 -0.02 -0.12 0.00 0.22 0.00 0.00 39.33 39.39 2qkx h ASP 121 CO -0.02 0.37 -0.18 0.74 -1.72 0.00 0.00 179.24 178.43 2qkx h THR 122 N -0.20 0.34 0.78 0.35 2.02 -1.99 0.26 112.91 114.46 2qkx h THR 122 Ca 0.01 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 2qkx h THR 122 Cb 0.32 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2qkx h THR 122 CO 0.00 0.00 -0.37 -0.07 0.37 0.00 0.00 175.52 175.45 2qkx h LEU 123 N -0.03 -0.88 -0.80 2.58 3.38 -1.35 -2.00 115.31 116.21 2qkx h LEU 123 Ca 0.29 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.36 2qkx h LEU 123 Cb 0.47 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 41.34 2qkx h LEU 123 CO -0.64 -0.59 -0.54 0.00 0.09 0.00 0.00 178.44 176.75 2qkx h ALA 124 N -0.93 -0.51 -1.00 1.53 0.00 -0.84 0.12 119.26 117.62 2qkx h ALA 124 Ca -0.11 0.10 0.24 0.00 0.00 0.00 0.00 54.91 55.14 2qkx h ALA 124 Cb 0.81 1.23 -0.09 0.00 0.00 0.00 0.00 17.79 19.74 2qkx h ALA 124 CO 0.17 -0.94 0.64 -0.44 0.00 0.00 0.00 179.25 178.68 2qkx h ASP 125 N -0.13 0.53 0.16 0.00 3.32 -0.40 0.42 116.42 120.32 2qkx h ASP 125 Ca 0.16 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.30 2qkx h ASP 125 Cb 0.49 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 2qkx h ASP 125 CO -0.83 0.14 -0.20 0.25 -1.72 0.00 0.00 179.24 176.89 2qkx h LEU 126 N 0.49 -0.53 -0.64 1.55 5.85 -0.19 -0.13 115.31 121.70 2qkx h LEU 126 Ca 0.57 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 59.26 2qkx h LEU 126 Cb 1.28 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.48 2qkx h LEU 126 CO -0.31 -0.29 0.06 0.40 -0.34 0.00 0.00 178.44 177.96 2qkx h ILE 127 N -0.40 1.27 -0.38 4.05 2.04 -0.69 -0.43 117.51 122.96 2qkx h ILE 127 Ca 0.01 -1.10 0.07 0.00 1.00 0.00 0.00 64.86 64.84 2qkx h ILE 127 Cb 0.40 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 2qkx h ILE 127 CO -0.07 0.41 0.03 0.00 0.00 0.00 0.00 178.15 178.52 2qkx h ALA 128 N 1.02 0.38 0.10 1.87 0.00 -0.98 0.17 119.26 121.82 2qkx h ALA 128 Ca 0.19 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2qkx h ALA 128 Cb 0.50 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2qkx h ALA 128 CO 0.02 -0.37 -0.05 1.15 0.00 0.00 0.00 179.25 180.01 2qkx h THR 129 N 0.15 1.00 -0.12 0.00 2.02 -0.94 -1.72 112.91 113.29 2qkx h THR 129 Ca 0.19 -0.40 0.04 0.00 0.77 0.00 0.00 66.41 67.00 2qkx h THR 129 Cb 0.25 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 2qkx h THR 129 CO -0.28 0.10 -0.12 -0.74 0.37 0.00 0.00 175.52 174.85 2qkx h HIS 130 N -0.32 -0.29 -0.28 3.16 6.17 -0.52 0.50 115.15 123.56 2qkx h HIS 130 Ca -0.01 0.02 -0.12 0.00 0.71 0.00 0.00 60.37 60.97 2qkx h HIS 130 Cb 0.27 0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.33 2qkx h HIS 130 CO -0.01 -0.18 -0.32 0.00 0.71 0.00 0.00 177.93 178.14 2qkx h ARG 131 N -0.14 0.59 0.09 5.26 3.08 -0.77 0.15 114.38 122.65 2qkx h ARG 131 Ca 0.08 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 2qkx h ARG 131 Cb 0.26 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2qkx h ARG 131 CO -0.21 0.84 -0.04 0.00 -1.07 0.00 0.00 179.97 179.49 2qkx h ALA 132 N 1.15 -0.12 -0.04 0.04 0.00 -0.69 -2.37 119.26 117.22 2qkx h ALA 132 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2qkx h ALA 132 Cb 0.80 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2qkx h ALA 132 CO 0.07 -0.37 0.00 0.28 0.00 0.00 0.00 179.25 179.23 2qkx n VAL 133 N -4.96 0.05 -4.07 0.00 0.31 0.11 -4.93 118.33 104.85 2qkx n VAL 133 Ca -0.09 -0.09 -0.41 0.00 -0.01 0.00 0.00 64.34 63.74 2qkx n VAL 133 Cb 0.23 -0.11 -0.00 0.00 -0.91 0.00 0.00 33.84 33.04 2qkx n VAL 133 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2qkx n SER 134 N -0.50 -3.10 -4.87 4.52 7.64 -0.37 -4.90 113.62 112.04 2qkx n SER 134 Ca 0.15 -1.25 -0.31 0.00 1.01 0.00 0.00 58.87 58.48 2qkx n SER 134 Cb 0.14 -1.96 -0.04 0.00 -1.01 0.00 0.00 64.21 61.34 2qkx n SER 134 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qkx s ALA 135 N -3.71 3.34 0.05 -0.43 0.00 0.40 -4.85 121.76 116.56 2qkx s ALA 135 Ca 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 2qkx s ALA 135 Cb -0.19 -2.72 -0.27 0.00 0.00 0.00 0.00 23.12 19.93 2qkx s ALA 135 CO 0.96 0.05 1.03 0.00 0.00 0.00 0.00 175.76 177.80 2qkx h ALA 136 N 1.44 0.21 -3.08 0.00 0.00 -1.33 -3.39 119.26 113.11 2qkx h ALA 136 Ca -0.47 -1.00 -0.16 0.00 0.00 0.00 0.00 54.91 53.28 2qkx h ALA 136 Cb 1.18 0.11 -0.25 0.00 0.00 0.00 0.00 17.79 18.84 2qkx h ALA 136 CO 0.64 1.09 -0.45 0.54 0.00 0.00 0.00 179.25 181.07 2qkx s VAL 137 N -2.64 0.02 -0.08 0.00 0.11 -1.18 -1.52 120.40 115.10 2qkx s VAL 137 Ca -0.05 -0.13 0.04 0.00 -2.93 0.00 0.00 61.98 58.91 2qkx s VAL 137 Cb 0.07 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.57 2qkx s VAL 137 CO 0.86 -0.07 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.46 2qkx s THR 138 N -0.19 1.81 -0.01 5.04 2.01 0.85 -1.64 115.64 123.52 2qkx s THR 138 Ca -0.03 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.16 2qkx s THR 138 Cb -0.03 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 2qkx s THR 138 CO 0.01 0.51 -0.26 0.54 -0.69 0.00 0.00 174.62 174.73 2qkx s VAL 139 N 0.29 2.02 -0.09 3.82 0.11 -0.74 -0.58 120.40 125.23 2qkx s VAL 139 Ca -0.14 -1.11 -0.19 0.00 -2.93 0.00 0.00 61.98 57.61 2qkx s VAL 139 Cb -0.16 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 2qkx s VAL 139 CO 0.06 0.55 0.52 -0.76 -3.33 0.00 0.00 175.10 172.14 2qkx s LEU 140 N -0.66 4.30 0.49 2.54 1.43 -0.34 -0.57 118.68 125.88 2qkx s LEU 140 Ca 0.10 0.90 0.02 0.00 -1.03 0.00 0.00 54.13 54.13 2qkx s LEU 140 Cb -0.10 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 2qkx s LEU 140 CO -0.01 0.01 0.00 0.42 0.23 0.00 0.00 176.35 177.01 2qkx s THR 141 N 0.49 1.32 0.00 5.49 -4.23 -0.70 -0.29 115.64 117.72 2qkx s THR 141 Ca 0.28 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.51 2qkx s THR 141 Cb -0.16 -2.33 0.09 0.00 1.34 0.00 0.00 72.50 71.44 2qkx s THR 141 CO 0.12 0.00 0.75 0.28 -0.54 0.00 0.00 174.62 175.23 2qkx s THR 142 N -2.85 0.00 -0.20 3.99 -1.32 -0.86 0.58 115.64 114.98 2qkx s THR 142 Ca 0.12 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.52 2qkx s THR 142 Cb 0.03 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.98 2qkx s THR 142 CO 0.06 0.00 0.07 -0.89 -2.21 0.00 0.00 174.62 171.65 2qkx s THR 143 N -2.31 4.73 0.15 5.08 2.01 -1.26 -0.02 115.64 124.01 2qkx s THR 143 Ca -0.03 -0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.00 2qkx s THR 143 Cb -0.01 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2qkx s THR 143 CO -0.02 0.43 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.50 2qkx s LEU 144 N 0.64 3.04 0.11 4.42 1.43 -1.05 -4.85 118.68 122.42 2qkx s LEU 144 Ca 0.04 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.53 2qkx s LEU 144 Cb -0.13 -1.77 -0.10 0.00 0.03 0.00 0.00 46.19 44.22 2qkx s LEU 144 CO 0.02 0.13 1.39 0.44 0.23 0.00 0.00 176.35 178.55 2qkx h ASP 145 N 3.18 0.86 -3.67 2.29 3.32 -1.99 -3.41 116.42 117.01 2qkx h ASP 145 Ca -0.48 -0.53 -0.65 0.00 0.02 0.00 0.00 57.03 55.40 2qkx h ASP 145 Cb 1.19 -0.25 -0.39 0.00 0.22 0.00 0.00 39.33 40.10 2qkx h ASP 145 CO 0.54 1.22 -0.75 -0.62 -1.72 0.00 0.00 179.24 177.91 2qkx s ASP 146 N -6.78 4.54 -0.01 6.45 2.15 -1.26 -5.01 116.67 116.76 2qkx s ASP 146 Ca -0.12 -1.85 0.05 0.00 0.43 0.00 0.00 52.55 51.06 2qkx s ASP 146 Cb 0.09 -1.49 0.14 0.00 -0.30 0.00 0.00 42.92 41.36 2qkx s ASP 146 CO 0.86 -0.33 1.08 -0.81 -0.17 0.00 0.00 175.17 175.80 2qkx n PRO 147 N 4.39 1.41 -1.91 4.34 -0.04 -1.26 -4.95 135.00 136.97 2qkx n PRO 147 Ca -0.02 -0.57 -0.40 0.00 -0.04 0.00 0.00 63.50 62.47 2qkx n PRO 147 Cb 0.42 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 2qkx n PRO 147 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2qkx s PHE 148 N -1.75 2.68 0.00 0.54 5.36 -1.26 -3.24 117.98 120.31 2qkx s PHE 148 Ca 0.10 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 2qkx s PHE 148 Cb 0.06 -3.86 0.00 0.00 -0.34 0.00 0.00 43.02 38.88 2qkx s PHE 148 CO 0.07 -2.59 0.00 0.41 -1.46 0.00 0.00 175.22 171.65 2qkx n GLY 149 N 0.60 2.76 3.91 13.12 0.00 -1.26 -5.00 105.19 119.32 2qkx n GLY 149 Ca 0.03 -0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 2qkx n GLY 149 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qkx s TYR 150 N -1.63 3.14 0.00 1.61 2.02 -1.20 -4.58 117.35 116.71 2qkx s TYR 150 Ca 0.00 0.65 -0.07 0.00 -0.37 0.00 0.00 57.07 57.28 2qkx s TYR 150 Cb 0.00 -2.98 -0.05 0.00 -0.40 0.00 0.00 41.96 38.53 2qkx s TYR 150 CO 0.00 -1.12 0.27 0.20 -1.57 0.00 0.00 175.55 173.33 2qkx s GLY 151 N -4.40 2.25 -0.07 0.71 0.00 -1.26 -3.40 107.32 101.15 2qkx s GLY 151 Ca 0.57 -0.57 -0.13 0.00 0.00 0.00 0.00 44.72 44.59 2qkx s GLY 151 CO 0.46 -0.37 0.33 0.50 0.00 0.00 0.00 173.10 174.02 2qkx s ARG 152 N -1.69 3.92 -0.27 2.90 1.81 -0.18 -0.09 118.95 125.34 2qkx s ARG 152 Ca 0.27 0.23 -0.24 0.00 -1.72 0.00 0.00 55.73 54.27 2qkx s ARG 152 Cb -0.13 -3.27 -0.00 0.00 -0.45 0.00 0.00 34.95 31.09 2qkx s ARG 152 CO 0.15 0.57 0.80 0.42 -0.68 0.00 0.00 175.30 176.57 2qkx s ILE 153 N -0.61 4.82 -0.18 1.52 -1.09 -0.05 -1.97 121.20 123.65 2qkx s ILE 153 Ca 0.20 1.39 -0.14 0.00 -2.23 0.00 0.00 60.65 59.87 2qkx s ILE 153 Cb -0.15 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 2qkx s ILE 153 CO 0.09 -0.15 0.32 -0.76 -1.23 0.00 0.00 174.94 173.22 2qkx s LEU 154 N 2.89 4.20 -0.02 2.97 1.43 -0.82 -4.82 118.68 124.50 2qkx s LEU 154 Ca 0.33 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.94 2qkx s LEU 154 Cb -0.15 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.67 2qkx s LEU 154 CO 0.10 0.03 -0.06 -0.13 0.23 0.00 0.00 176.35 176.52 2qkx s ARG 155 N 0.80 0.69 1.02 1.70 0.52 -1.26 -1.06 118.95 121.36 2qkx s ARG 155 Ca 0.17 -0.18 -0.17 0.00 -0.52 0.00 0.00 55.73 55.03 2qkx s ARG 155 Cb -0.14 -0.68 0.25 0.00 0.52 0.00 0.00 34.95 34.91 2qkx s ARG 155 CO 0.05 0.05 0.96 0.25 0.02 0.00 0.00 175.30 176.63 2qkx n THR 156 N 3.43 0.00 -0.28 0.02 -2.24 -0.86 -4.87 114.28 109.48 2qkx n THR 156 Ca -0.19 -0.47 -0.03 0.00 -2.27 0.00 0.00 64.05 61.09 2qkx n THR 156 Cb 0.54 -1.25 0.08 0.00 -2.10 0.00 0.00 70.33 67.60 2qkx n THR 156 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2qkx h GLN 157 N 0.00 0.95 -1.27 -0.78 4.20 -2.02 -2.00 115.11 114.20 2qkx h GLN 157 Ca -0.35 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.30 2qkx h GLN 157 Cb 1.07 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2qkx h GLN 157 CO 0.23 0.63 0.00 -0.40 -0.67 0.00 0.00 178.83 178.63 2qkx n ASP 158 N -4.59 0.97 -1.18 1.46 5.68 -1.26 -4.80 116.55 112.83 2qkx n ASP 158 Ca 0.08 -0.80 -0.10 0.00 -0.50 0.00 0.00 54.79 53.48 2qkx n ASP 158 Cb 0.06 -0.20 -0.04 0.00 -1.14 0.00 0.00 41.12 39.80 2qkx n ASP 158 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2qkx n HIS 159 N 0.66 -0.41 -3.09 2.11 8.25 -0.75 -4.94 115.22 117.06 2qkx n HIS 159 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 2qkx n HIS 159 Cb 0.17 -2.23 -0.05 0.00 1.12 0.00 0.00 29.99 29.00 2qkx n HIS 159 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2qkx s GLU 160 N -2.75 4.40 0.39 -0.41 2.56 -1.25 -4.85 118.70 116.79 2qkx s GLU 160 Ca 0.00 0.79 -0.27 0.00 0.00 0.00 0.00 54.97 55.49 2qkx s GLU 160 Cb 0.00 -3.46 -0.10 0.00 2.00 0.00 0.00 34.13 32.57 2qkx s GLU 160 CO 0.00 0.04 1.40 0.08 -0.56 0.00 0.00 175.26 176.22 2qkx s VAL 161 N 0.93 2.30 -0.01 3.70 1.01 -1.26 -2.04 120.40 125.02 2qkx s VAL 161 Ca 0.35 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2qkx s VAL 161 Cb -0.17 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 2qkx s VAL 161 CO 0.16 0.06 -0.01 0.23 0.00 0.00 0.00 175.10 175.54 2qkx n MET 162 N 0.33 1.54 0.00 2.72 0.00 -0.22 -4.90 117.12 116.59 2qkx n MET 162 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.73 2qkx n MET 162 Cb 0.41 -1.03 0.00 0.00 0.00 0.00 0.00 33.22 32.60 2qkx n MET 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qkx n ALA 163 N -2.34 0.00 -3.78 3.04 0.00 -1.25 -4.14 120.51 112.04 2qkx n ALA 163 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 2qkx n ALA 163 Cb 0.53 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.82 2qkx n ALA 163 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qkx s ILE 164 N -2.00 1.66 -0.18 0.00 1.01 -1.26 -1.95 121.20 118.48 2qkx s ILE 164 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 2qkx s ILE 164 Cb 0.00 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 2qkx s ILE 164 CO 0.00 0.47 -0.08 0.54 0.00 0.00 0.00 174.94 175.88 2qkx s VAL 165 N 1.10 3.31 0.55 2.92 0.11 -0.83 -4.68 120.40 122.89 2qkx s VAL 165 Ca -0.03 -0.54 -0.16 0.00 -2.93 0.00 0.00 61.98 58.32 2qkx s VAL 165 Cb -0.14 -2.46 -0.06 0.00 -1.53 0.00 0.00 36.38 32.19 2qkx s VAL 165 CO -0.05 0.47 1.01 -1.61 -3.33 0.00 0.00 175.10 171.60 2qkx s GLU 166 N 0.91 3.71 0.17 1.54 0.41 -1.26 -1.01 118.70 123.16 2qkx s GLU 166 Ca -0.01 1.04 -0.25 0.00 -0.41 0.00 0.00 54.97 55.33 2qkx s GLU 166 Cb -0.15 -2.10 0.01 0.00 -1.78 0.00 0.00 34.13 30.12 2qkx s GLU 166 CO 0.00 -0.48 1.43 0.94 -0.49 0.00 0.00 175.26 176.67 2qkx n GLN 167 N -1.79 -0.36 -0.19 1.61 -0.06 -1.22 -0.65 117.38 114.72 2qkx n GLN 167 Ca 0.07 1.41 -0.01 0.00 -2.00 0.00 0.00 57.00 56.47 2qkx n GLN 167 Cb 0.54 -2.08 0.09 0.00 -4.06 0.00 0.00 30.24 24.73 2qkx n GLN 167 CO 0.00 0.00 0.00 1.79 -0.20 0.00 0.00 177.06 178.65 2qkx h THR 168 N 0.00 0.80 -0.00 1.69 1.35 -1.92 -3.14 112.91 111.70 2qkx h THR 168 Ca 0.19 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 2qkx h THR 168 Cb 0.43 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 2qkx h THR 168 CO -0.89 0.07 -0.31 0.47 -0.25 0.00 0.00 175.52 174.62 2qkx n ASP 169 N -4.99 0.31 -4.78 5.36 8.00 0.18 -4.95 116.55 115.68 2qkx n ASP 169 Ca 0.07 0.04 -0.36 0.00 0.71 0.00 0.00 54.79 55.25 2qkx n ASP 169 Cb 0.24 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.29 2qkx n ASP 169 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qkx s ALA 170 N -3.00 2.86 1.01 2.24 0.00 -0.66 -4.88 121.76 119.33 2qkx s ALA 170 Ca 0.12 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 52.76 2qkx s ALA 170 Cb 0.18 -3.34 0.20 0.00 0.00 0.00 0.00 23.12 20.16 2qkx s ALA 170 CO 0.63 -0.58 1.08 0.95 0.00 0.00 0.00 175.76 177.84 2qkx s THR 171 N -1.73 2.25 0.02 0.00 -4.23 -1.26 -4.90 115.64 105.79 2qkx s THR 171 Ca 0.67 0.08 0.26 0.00 -1.18 0.00 0.00 61.69 61.53 2qkx s THR 171 Cb -0.24 -2.37 0.28 0.00 1.34 0.00 0.00 72.50 71.51 2qkx s THR 171 CO 0.28 -0.11 1.82 -0.65 -0.54 0.00 0.00 174.62 175.42 2qkx h PRO 172 N -2.02 0.00 -0.17 3.99 0.11 -2.00 -2.85 132.00 129.05 2qkx h PRO 172 Ca -0.54 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.38 2qkx h PRO 172 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 2qkx h PRO 172 CO 0.52 0.15 -0.65 0.66 -0.21 0.00 0.00 178.00 178.46 2qkx h SER 173 N 0.00 0.74 0.72 -2.05 4.64 -2.02 -2.86 113.55 112.72 2qkx h SER 173 Ca -0.00 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2qkx h SER 173 Cb 0.76 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2qkx h SER 173 CO 0.02 1.20 0.00 1.56 -0.87 0.00 0.00 176.83 178.74 2qkx h GLN 174 N 0.47 0.00 0.00 4.77 4.20 -1.90 -2.60 115.11 120.05 2qkx h GLN 174 Ca -0.02 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 2qkx h GLN 174 Cb 1.24 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 2qkx h GLN 174 CO 0.13 0.00 -0.46 0.00 -0.67 0.00 0.00 178.83 177.83 2qkx h ARG 175 N 0.00 0.00 0.00 1.46 3.08 -1.27 -2.88 114.38 114.76 2qkx h ARG 175 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2qkx h ARG 175 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2qkx h ARG 175 CO 0.00 0.46 -0.14 0.93 -1.07 0.00 0.00 179.97 180.15 2qkx h GLU 176 N 0.00 0.00 -6.67 0.04 3.07 -1.51 -3.44 114.58 106.07 2qkx h GLU 176 Ca -0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 2qkx h GLU 176 Cb 1.19 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 29.20 2qkx h GLU 176 CO 0.06 0.14 0.62 -0.89 -1.40 0.00 0.00 179.01 177.54 2qkx n ILE 177 N -3.96 1.31 0.38 3.13 5.41 -1.09 -4.94 119.36 119.60 2qkx n ILE 177 Ca -0.02 -0.33 0.05 0.00 1.00 0.00 0.00 62.75 63.45 2qkx n ILE 177 Cb 0.23 -1.58 -0.06 0.00 -0.71 0.00 0.00 39.64 37.52 2qkx n ILE 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2qkx n ARG 178 N 1.55 3.14 -2.78 0.38 1.74 -1.26 -4.85 116.66 114.58 2qkx n ARG 178 Ca 0.09 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.73 2qkx n ARG 178 Cb 0.34 -1.01 -0.03 0.00 -1.02 0.00 0.00 32.46 30.73 2qkx n ARG 178 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2qkx s GLU 179 N -2.06 4.24 0.15 5.56 2.12 -1.26 -2.54 118.70 124.91 2qkx s GLU 179 Ca 0.02 1.15 0.09 0.00 0.36 0.00 0.00 54.97 56.60 2qkx s GLU 179 Cb 0.07 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 2qkx s GLU 179 CO 0.40 -0.52 -0.16 0.14 -0.54 0.00 0.00 175.26 174.58 2qkx s VAL 180 N 2.84 2.88 -0.04 3.70 -7.23 0.96 -0.87 120.40 122.65 2qkx s VAL 180 Ca 0.40 -1.64 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 2qkx s VAL 180 Cb -0.16 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 2qkx s VAL 180 CO 0.08 -0.01 1.55 0.21 -0.31 0.00 0.00 175.10 176.63 2qkx s ASN 181 N -2.47 6.73 0.30 4.85 2.47 0.87 -2.03 114.94 125.66 2qkx s ASN 181 Ca 0.21 2.18 0.25 0.00 0.42 0.00 0.00 52.86 55.92 2qkx s ASN 181 Cb -0.09 -2.54 0.68 0.00 -1.45 0.00 0.00 41.25 37.84 2qkx s ASN 181 CO 0.12 -0.86 1.73 0.00 -3.72 0.00 0.00 177.10 174.37 2qkx h ALA 182 N 8.85 1.00 -0.41 1.71 0.00 -0.98 -3.41 119.26 126.02 2qkx h ALA 182 Ca -0.38 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 2qkx h ALA 182 Cb 1.17 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2qkx h ALA 182 CO 0.94 0.00 -0.10 0.41 0.00 0.00 0.00 179.25 180.50 2qkx n GLY 183 N 1.15 0.54 3.19 0.00 0.00 -1.26 -4.93 105.19 103.88 2qkx n GLY 183 Ca 0.05 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 2qkx n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qkx s VAL 184 N -2.21 2.14 0.20 1.61 1.01 -1.26 -4.16 120.40 117.73 2qkx s VAL 184 Ca 0.00 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.08 2qkx s VAL 184 Cb 0.00 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 2qkx s VAL 184 CO 0.00 0.55 -0.09 -0.31 0.00 0.00 0.00 175.10 175.25 2qkx s TYR 185 N 0.71 1.56 -0.05 5.22 1.51 0.65 -1.19 117.35 125.76 2qkx s TYR 185 Ca -0.09 -0.72 0.02 0.00 -1.01 0.00 0.00 57.07 55.26 2qkx s TYR 185 Cb -0.16 -0.81 0.02 0.00 -0.11 0.00 0.00 41.96 40.90 2qkx s TYR 185 CO 0.01 0.18 -0.08 0.00 -1.11 0.00 0.00 175.55 174.55 2qkx s ALA 186 N -3.18 0.90 0.04 3.71 0.00 0.25 -1.99 121.76 121.48 2qkx s ALA 186 Ca 0.23 -0.19 0.09 0.00 0.00 0.00 0.00 51.96 52.08 2qkx s ALA 186 Cb 0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 2qkx s ALA 186 CO 0.06 0.05 -0.25 -0.06 0.00 0.00 0.00 175.76 175.55 2qkx s PHE 187 N 0.78 2.23 -0.13 0.00 0.08 0.16 -0.11 117.98 120.99 2qkx s PHE 187 Ca -0.13 -0.41 -0.29 0.00 0.12 0.00 0.00 56.93 56.22 2qkx s PHE 187 Cb -0.15 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.92 2qkx s PHE 187 CO 0.02 0.10 1.57 0.34 -0.10 0.00 0.00 175.22 177.14 2qkx s ASP 188 N -1.14 6.63 0.25 1.36 -1.08 -0.58 -1.93 116.67 120.18 2qkx s ASP 188 Ca 0.11 1.94 -0.03 0.00 -0.52 0.00 0.00 52.55 54.05 2qkx s ASP 188 Cb -0.10 -2.53 0.51 0.00 -1.46 0.00 0.00 42.92 39.34 2qkx s ASP 188 CO 0.02 -1.00 1.72 -0.29 0.52 0.00 0.00 175.17 176.14 2qkx h ILE 189 N 5.74 0.62 -0.50 4.11 6.09 -1.86 -0.85 117.51 130.86 2qkx h ILE 189 Ca -0.35 -0.15 -0.12 0.00 -1.37 0.00 0.00 64.86 62.87 2qkx h ILE 189 Cb 1.16 0.15 -0.01 0.00 0.47 0.00 0.00 36.82 38.58 2qkx h ILE 189 CO 0.97 0.08 -0.17 0.00 -3.07 0.00 0.00 178.15 175.96 2qkx h ALA 190 N 1.58 0.69 0.00 0.18 0.00 -1.91 -2.37 119.26 117.44 2qkx h ALA 190 Ca 0.44 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qkx h ALA 190 Cb 0.71 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2qkx h ALA 190 CO -0.43 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.47 2qkx h ALA 191 N 0.88 1.00 0.06 0.00 0.00 -1.69 -2.94 119.26 116.57 2qkx h ALA 191 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qkx h ALA 191 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2qkx h ALA 191 CO 0.06 0.00 -0.03 1.25 0.00 0.00 0.00 179.25 180.53 2qkx h LEU 192 N 0.00 -0.07 -0.64 0.00 5.85 -0.90 -3.25 115.31 116.31 2qkx h LEU 192 Ca 0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.81 2qkx h LEU 192 Cb 0.54 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.48 2qkx h LEU 192 CO 0.00 0.39 -0.48 0.03 -0.34 0.00 0.00 178.44 178.04 2qkx h ARG 193 N -0.96 -0.20 -0.62 1.25 3.08 -1.40 -0.41 114.38 115.12 2qkx h ARG 193 Ca -0.01 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.18 2qkx h ARG 193 Cb 0.06 0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.04 2qkx h ARG 193 CO 0.01 -0.14 -0.11 1.03 -1.07 0.00 0.00 179.97 179.69 2qkx h SER 194 N -0.21 -0.50 -0.23 7.04 0.87 -1.71 -2.47 113.55 116.34 2qkx h SER 194 Ca 0.17 0.18 -0.10 0.00 -1.23 0.00 0.00 61.79 60.80 2qkx h SER 194 Cb 0.55 0.36 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 2qkx h SER 194 CO -0.73 -0.18 -0.19 0.00 -0.53 0.00 0.00 176.83 175.20 2qkx h ALA 195 N 1.61 1.00 -0.50 6.23 0.00 -1.14 -2.89 119.26 123.56 2qkx h ALA 195 Ca 0.31 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2qkx h ALA 195 Cb 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2qkx h ALA 195 CO -0.61 0.59 -0.02 -0.07 0.00 0.00 0.00 179.25 179.14 2qkx h LEU 196 N 0.60 0.83 -1.48 0.00 3.38 -0.89 -2.70 115.31 115.05 2qkx h LEU 196 Ca 0.09 -0.22 0.16 0.00 0.09 0.00 0.00 57.88 58.01 2qkx h LEU 196 Cb 0.65 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2qkx h LEU 196 CO 0.05 0.90 0.55 0.77 0.09 0.00 0.00 178.44 180.80 2qkx h SER 197 N 0.79 0.47 -0.19 -0.43 4.64 -1.25 -2.36 113.55 115.22 2qkx h SER 197 Ca 0.15 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2qkx h SER 197 Cb 0.50 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2qkx h SER 197 CO 0.03 0.23 0.00 0.54 -0.87 0.00 0.00 176.83 176.75 2qkx n ARG 198 N -4.51 1.74 -2.42 4.77 1.74 -1.02 -4.93 116.66 112.03 2qkx n ARG 198 Ca 0.16 -1.12 -0.42 0.00 -0.77 0.00 0.00 57.85 55.70 2qkx n ARG 198 Cb 0.55 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 2qkx n ARG 198 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2qkx s LEU 199 N -1.50 4.40 0.04 0.55 2.01 -0.89 -5.05 118.68 118.24 2qkx s LEU 199 Ca 0.31 2.06 0.03 0.00 0.01 0.00 0.00 54.13 56.55 2qkx s LEU 199 Cb 0.17 -3.59 -0.04 0.00 0.01 0.00 0.00 46.19 42.74 2qkx s LEU 199 CO 0.25 -0.42 -0.01 -0.44 1.01 0.00 0.00 176.35 176.74 2qkx s SER 200 N 0.76 5.01 0.00 2.29 0.01 -1.26 -5.01 113.70 115.50 2qkx s SER 200 Ca 0.57 -0.11 0.05 0.00 1.31 0.00 0.00 55.95 57.77 2qkx s SER 200 Cb -0.30 -1.24 0.21 0.00 0.21 0.00 0.00 66.02 64.90 2qkx s SER 200 CO 0.31 0.23 1.15 -1.54 0.41 0.00 0.00 173.24 173.80 2qkx n SER 201 N 1.00 0.39 -4.56 2.44 3.41 -1.25 -4.62 113.62 110.44 2qkx n SER 201 Ca -0.13 -1.92 -0.29 0.00 -0.26 0.00 0.00 58.87 56.27 2qkx n SER 201 Cb 0.52 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.38 2qkx n SER 201 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2qkx s ASN 202 N -1.09 5.10 0.00 4.04 2.47 -1.26 -2.63 114.94 121.57 2qkx s ASN 202 Ca 0.09 -0.36 0.00 0.00 0.42 0.00 0.00 52.86 53.00 2qkx s ASN 202 Cb 0.04 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.29 2qkx s ASN 202 CO 0.06 -2.71 0.00 -3.20 -3.72 0.00 0.00 177.10 167.53 2qkx n ASN 203 N 13.95 -0.63 0.00 -4.21 2.85 -1.26 -5.00 115.26 120.96 2qkx n ASN 203 Ca 0.36 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 2qkx n ASN 203 Cb 0.48 0.54 0.00 0.00 1.24 0.00 0.00 39.78 42.04 2qkx n ASN 203 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2qkx n ALA 204 N 0.48 1.45 0.20 5.20 0.00 -1.26 -4.45 120.51 122.13 2qkx n ALA 204 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 2qkx n ALA 204 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 2qkx n ALA 204 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qkx n GLN 205 N -0.34 2.23 -3.50 0.00 6.02 -1.26 -4.97 117.38 115.56 2qkx n GLN 205 Ca 0.00 -1.24 -0.27 0.00 -0.01 0.00 0.00 57.00 55.48 2qkx n GLN 205 Cb 0.04 -1.70 0.01 0.00 1.02 0.00 0.00 30.24 29.61 2qkx n GLN 205 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2qkx n GLN 206 N 0.12 -1.49 -3.68 -1.09 3.00 -1.26 -4.97 117.38 108.02 2qkx n GLN 206 Ca 0.15 0.87 -0.09 0.00 -0.01 0.00 0.00 57.00 57.91 2qkx n GLN 206 Cb 0.74 -1.88 -0.03 0.00 0.00 0.00 0.00 30.24 29.07 2qkx n GLN 206 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2qkx s GLU 207 N -3.75 1.49 -0.58 -1.09 2.02 -1.08 -4.99 118.70 110.73 2qkx s GLU 207 Ca 0.12 -0.78 -0.16 0.00 0.02 0.00 0.00 54.97 54.17 2qkx s GLU 207 Cb -0.01 0.57 0.13 0.00 0.10 0.00 0.00 34.13 34.93 2qkx s GLU 207 CO 0.79 -0.66 0.56 -0.51 0.02 0.00 0.00 175.26 175.46 2qkx s LEU 208 N -2.85 6.11 0.10 1.80 1.02 -1.00 -3.74 118.68 120.12 2qkx s LEU 208 Ca 0.07 -1.83 -0.29 0.00 0.02 0.00 0.00 54.13 52.10 2qkx s LEU 208 Cb -0.03 -2.23 -0.06 0.00 0.02 0.00 0.00 46.19 43.90 2qkx s LEU 208 CO -0.03 -0.87 0.94 -0.31 0.02 0.00 0.00 176.35 176.10 2qkx s TYR 209 N 1.64 3.81 0.18 0.29 2.02 -1.26 -1.75 117.35 122.27 2qkx s TYR 209 Ca 0.06 1.76 0.13 0.00 -0.37 0.00 0.00 57.07 58.65 2qkx s TYR 209 Cb -0.27 -3.03 0.33 0.00 -0.40 0.00 0.00 41.96 38.60 2qkx s TYR 209 CO 0.02 0.22 1.58 1.25 -1.57 0.00 0.00 175.55 177.05 2qkx h LEU 210 N 5.57 0.00 -0.89 -1.29 5.85 -1.92 -3.06 115.31 119.57 2qkx h LEU 210 Ca -0.43 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 2qkx h LEU 210 Cb 1.21 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 2qkx h LEU 210 CO 0.72 0.60 0.39 0.71 -0.34 0.00 0.00 178.44 180.51 2qkx h THR 211 N 0.00 1.26 -0.59 1.05 1.35 -1.92 -2.59 112.91 111.46 2qkx h THR 211 Ca -0.01 -0.73 0.17 0.00 -0.55 0.00 0.00 66.41 65.30 2qkx h THR 211 Cb 1.17 0.21 -0.02 0.00 -1.73 0.00 0.00 68.15 67.78 2qkx h THR 211 CO 0.08 0.31 0.92 0.44 -0.25 0.00 0.00 175.52 177.02 2qkx h ASP 212 N 1.18 0.00 -0.61 5.36 3.32 -1.81 -1.76 116.42 122.10 2qkx h ASP 212 Ca 0.28 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 2qkx h ASP 212 Cb 0.13 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 2qkx h ASP 212 CO -0.03 0.00 0.26 0.58 -1.72 0.00 0.00 179.24 178.33 2qkx h VAL 213 N 0.00 1.22 -0.85 -1.35 2.07 -1.66 -2.80 116.25 112.87 2qkx h VAL 213 Ca 0.28 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 67.16 2qkx h VAL 213 Cb 2.12 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 2qkx h VAL 213 CO -0.00 0.27 0.55 0.40 0.02 0.00 0.00 177.57 178.81 2qkx h ILE 214 N 0.91 1.14 -0.11 4.57 5.03 -1.55 0.17 117.51 127.67 2qkx h ILE 214 Ca 0.22 -0.37 -0.22 0.00 -0.12 0.00 0.00 64.86 64.37 2qkx h ILE 214 Cb 0.16 -0.03 0.01 0.00 -3.03 0.00 0.00 36.82 33.93 2qkx h ILE 214 CO -0.02 0.20 -0.80 0.00 -0.68 0.00 0.00 178.15 176.84 2qkx h ALA 215 N 1.35 0.38 0.53 1.87 0.00 -1.68 -2.28 119.26 119.43 2qkx h ALA 215 Ca 0.34 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2qkx h ALA 215 Cb 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qkx h ALA 215 CO -0.11 0.71 -0.25 0.82 0.00 0.00 0.00 179.25 180.42 2qkx h ILE 216 N 0.44 0.48 -0.63 0.00 1.08 -1.21 -2.04 117.51 115.62 2qkx h ILE 216 Ca -0.06 -0.05 -0.04 0.00 -0.39 0.00 0.00 64.86 64.32 2qkx h ILE 216 Cb 1.42 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 35.64 2qkx h ILE 216 CO 0.16 0.01 0.21 -0.07 -0.69 0.00 0.00 178.15 177.77 2qkx h LEU 217 N -0.74 0.88 -0.40 1.44 3.38 -1.06 0.16 115.31 118.96 2qkx h LEU 217 Ca -0.07 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 57.84 2qkx h LEU 217 Cb 0.56 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 2qkx h LEU 217 CO 0.12 0.81 -0.17 -0.09 0.09 0.00 0.00 178.44 179.20 2qkx h ARG 218 N 0.92 -0.09 -0.38 1.13 2.43 -1.30 -1.42 114.38 115.66 2qkx h ARG 218 Ca 0.21 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 2qkx h ARG 218 Cb 0.24 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2qkx h ARG 218 CO -0.01 -0.06 0.06 0.77 -1.51 0.00 0.00 179.97 179.22 2qkx h SER 219 N -0.09 0.53 -0.94 -3.80 0.02 -0.49 -2.46 113.55 106.33 2qkx h SER 219 Ca 0.20 -0.09 0.09 0.00 -0.84 0.00 0.00 61.79 61.16 2qkx h SER 219 Cb 0.40 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.73 2qkx h SER 219 CO -0.46 0.56 0.60 0.44 -1.14 0.00 0.00 176.83 176.83 2qkx h ASP 220 N 0.56 0.88 0.00 3.07 5.19 0.30 -3.46 116.42 122.97 2qkx h ASP 220 Ca 0.13 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 2qkx h ASP 220 Cb 0.26 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.61 2qkx h ASP 220 CO 0.00 0.52 0.00 0.61 -3.12 0.00 0.00 179.24 177.25 2qkx n GLY 221 N -1.39 1.44 3.97 2.75 0.00 -0.80 -5.09 105.19 106.08 2qkx n GLY 221 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 2qkx n GLY 221 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qkx s GLN 222 N -0.23 2.75 -0.22 1.61 -0.21 -1.02 -5.05 119.66 117.30 2qkx s GLN 222 Ca 0.00 -0.79 -0.16 0.00 0.02 0.00 0.00 55.36 54.42 2qkx s GLN 222 Cb 0.00 -2.57 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 2qkx s GLN 222 CO 0.00 -0.48 0.43 0.95 -2.12 0.00 0.00 175.29 174.06 2qkx s THR 223 N -2.61 5.17 -0.34 -0.19 -4.23 -1.26 -4.57 115.64 107.61 2qkx s THR 223 Ca 0.54 0.75 0.03 0.00 -1.18 0.00 0.00 61.69 61.83 2qkx s THR 223 Cb -0.10 -3.75 0.10 0.00 1.34 0.00 0.00 72.50 70.08 2qkx s THR 223 CO 0.37 0.21 0.05 -0.69 -0.54 0.00 0.00 174.62 174.01 2qkx s VAL 224 N 1.58 2.34 -0.15 2.29 1.01 -1.26 -0.84 120.40 125.37 2qkx s VAL 224 Ca 0.19 -2.26 -0.03 0.00 0.00 0.00 0.00 61.98 59.88 2qkx s VAL 224 Cb -0.15 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 2qkx s VAL 224 CO 0.09 -0.55 -0.03 -2.28 0.00 0.00 0.00 175.10 172.32 2qkx s HIS 225 N 0.94 3.04 -0.14 5.22 5.04 -0.65 -4.65 115.29 124.08 2qkx s HIS 225 Ca 0.09 -0.23 -0.05 0.00 -1.54 0.00 0.00 55.06 53.33 2qkx s HIS 225 Cb -0.19 -1.94 -0.03 0.00 0.04 0.00 0.00 32.58 30.45 2qkx s HIS 225 CO -0.07 0.03 0.01 0.00 -2.34 0.00 0.00 174.74 172.37 2qkx s ALA 226 N 0.21 3.26 -0.32 1.58 0.00 -1.26 -1.79 121.76 123.44 2qkx s ALA 226 Ca -0.02 -0.78 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 2qkx s ALA 226 Cb -0.14 -1.67 0.03 0.00 0.00 0.00 0.00 23.12 21.34 2qkx s ALA 226 CO 0.03 0.33 0.10 0.45 0.00 0.00 0.00 175.76 176.66 2qkx s SER 227 N -0.06 5.24 -0.07 0.00 0.15 0.27 -4.93 113.70 114.30 2qkx s SER 227 Ca 0.04 -0.98 -0.30 0.00 0.70 0.00 0.00 55.95 55.42 2qkx s SER 227 Cb -0.13 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 2qkx s SER 227 CO 0.02 -0.28 1.30 -2.28 1.20 0.00 0.00 173.24 173.20 2qkx s HIS 228 N 1.44 2.94 -0.33 3.44 2.46 -1.26 -1.72 115.29 122.26 2qkx s HIS 228 Ca 0.00 0.99 -0.15 0.00 0.47 0.00 0.00 55.06 56.37 2qkx s HIS 228 Cb -0.19 -3.54 -0.01 0.00 -0.13 0.00 0.00 32.58 28.71 2qkx s HIS 228 CO 0.03 -1.87 0.36 0.08 -2.47 0.00 0.00 174.74 170.86 2qkx s VAL 229 N 2.68 5.17 0.09 0.89 1.01 0.19 -4.90 120.40 125.53 2qkx s VAL 229 Ca 0.59 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.50 2qkx s VAL 229 Cb -0.26 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 2qkx s VAL 229 CO 0.22 -0.07 1.41 0.44 0.00 0.00 0.00 175.10 177.10 2qkx h ASP 230 N 8.44 0.69 -1.39 3.32 3.32 -1.95 -3.36 116.42 125.49 2qkx h ASP 230 Ca -0.30 -0.47 -0.68 0.00 0.02 0.00 0.00 57.03 55.60 2qkx h ASP 230 Cb 1.15 -0.19 -0.12 0.00 0.22 0.00 0.00 39.33 40.38 2qkx h ASP 230 CO 0.69 1.02 1.70 -0.62 -1.72 0.00 0.00 179.24 180.30 2qkx s ASP 231 N -6.48 6.79 0.32 6.45 2.15 -1.26 -4.85 116.67 119.80 2qkx s ASP 231 Ca -0.13 -2.29 0.11 0.00 0.43 0.00 0.00 52.55 50.67 2qkx s ASP 231 Cb 0.08 -2.52 0.95 0.00 -0.30 0.00 0.00 42.92 41.14 2qkx s ASP 231 CO 0.82 -1.14 1.68 0.28 -0.17 0.00 0.00 175.17 176.64 2qkx h SER 232 N 8.14 0.49 -0.82 -0.34 0.02 -1.89 -2.18 113.55 116.97 2qkx h SER 232 Ca 0.33 0.17 0.14 0.00 -0.84 0.00 0.00 61.79 61.59 2qkx h SER 232 Cb 0.92 0.12 -0.14 0.00 0.14 0.00 0.00 62.40 63.44 2qkx h SER 232 CO 1.36 -0.05 -0.35 0.00 -1.14 0.00 0.00 176.83 176.66 2qkx h ALA 233 N 1.79 0.14 -0.21 3.77 0.00 -1.94 0.15 119.26 122.96 2qkx h ALA 233 Ca 0.67 0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.88 2qkx h ALA 233 Cb 1.42 0.88 -0.01 0.00 0.00 0.00 0.00 17.79 20.08 2qkx h ALA 233 CO -0.57 -0.61 0.45 -0.07 0.00 0.00 0.00 179.25 178.45 2qkx h LEU 234 N -0.06 0.00 -1.63 0.00 3.38 -1.65 -2.11 115.31 113.24 2qkx h LEU 234 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2qkx h LEU 234 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2qkx h LEU 234 CO -0.86 0.00 0.00 0.55 0.09 0.00 0.00 178.44 178.22 2qkx n VAL 235 N -3.21 0.37 -2.58 1.22 3.14 0.42 -1.01 118.33 116.67 2qkx n VAL 235 Ca 0.03 -0.58 -0.36 0.00 -2.96 0.00 0.00 64.34 60.47 2qkx n VAL 235 Cb 0.56 0.93 -0.04 0.00 -1.06 0.00 0.00 33.84 34.22 2qkx n VAL 235 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qkx s ALA 236 N -0.37 3.10 0.55 1.55 0.00 -0.56 -4.90 121.76 121.13 2qkx s ALA 236 Ca 0.00 0.67 0.06 0.00 0.00 0.00 0.00 51.96 52.69 2qkx s ALA 236 Cb 0.00 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 19.93 2qkx s ALA 236 CO 0.00 -0.15 0.76 0.20 0.00 0.00 0.00 175.76 176.57 2qkx s GLY 237 N -1.59 1.81 -0.21 0.00 0.00 -1.26 -4.39 107.32 101.68 2qkx s GLY 237 Ca 0.57 -1.83 -0.01 0.00 0.00 0.00 0.00 44.72 43.45 2qkx s GLY 237 CO 0.27 -1.46 -0.02 0.14 0.00 0.00 0.00 173.10 172.03 2qkx s VAL 238 N -2.66 1.07 -0.04 1.40 1.01 -0.67 -4.87 120.40 115.63 2qkx s VAL 238 Ca 0.60 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.75 2qkx s VAL 238 Cb -0.08 -1.43 -0.09 0.00 0.00 0.00 0.00 36.38 34.79 2qkx s VAL 238 CO 0.38 -0.13 0.07 0.59 0.00 0.00 0.00 175.10 176.01 2qkx n ASN 239 N 4.85 3.44 -4.25 3.32 3.02 -1.26 -4.93 115.26 119.45 2qkx n ASN 239 Ca -0.11 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.23 2qkx n ASN 239 Cb 0.46 0.88 -0.10 0.00 -0.61 0.00 0.00 39.78 40.41 2qkx n ASN 239 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qkx s ASN 240 N -3.44 2.16 0.55 6.41 2.20 -1.26 -2.78 114.94 118.78 2qkx s ASN 240 Ca -0.03 -1.50 0.33 0.00 -0.94 0.00 0.00 52.86 50.72 2qkx s ASN 240 Cb 0.03 0.22 1.36 0.00 -2.00 0.00 0.00 41.25 40.86 2qkx s ASN 240 CO 0.27 -0.77 1.99 0.03 -2.94 0.00 0.00 177.10 175.67 2qkx h ARG 241 N 2.07 0.00 0.01 3.55 3.08 -1.83 -1.81 114.38 119.45 2qkx h ARG 241 Ca -0.38 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 2qkx h ARG 241 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2qkx h ARG 241 CO 0.61 0.02 -0.01 0.28 -1.07 0.00 0.00 179.97 179.81 2qkx h VAL 242 N 0.00 1.12 -0.42 2.04 2.07 -1.96 -2.09 116.25 117.00 2qkx h VAL 242 Ca -0.00 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 2qkx h VAL 242 Cb 0.51 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2qkx h VAL 242 CO 0.00 0.10 -0.10 1.56 0.02 0.00 0.00 177.57 179.15 2qkx h GLN 243 N -0.19 0.75 -0.41 1.57 4.20 -1.85 -2.14 115.11 117.05 2qkx h GLN 243 Ca -0.00 -0.24 0.06 0.00 0.06 0.00 0.00 58.65 58.53 2qkx h GLN 243 Cb 0.18 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 2qkx h GLN 243 CO 0.00 0.83 0.09 1.25 -0.67 0.00 0.00 178.83 180.34 2qkx h LEU 244 N 0.68 0.03 -0.27 1.46 5.85 -1.21 -1.67 115.31 120.18 2qkx h LEU 244 Ca 0.12 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 2qkx h LEU 244 Cb 0.57 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2qkx h LEU 244 CO 0.04 0.05 -0.02 0.00 -0.34 0.00 0.00 178.44 178.16 2qkx h ALA 245 N 1.31 0.37 -0.68 1.25 0.00 -1.17 0.58 119.26 120.93 2qkx h ALA 245 Ca 0.20 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 55.00 2qkx h ALA 245 Cb 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2qkx h ALA 245 CO -0.25 0.13 0.46 0.93 0.00 0.00 0.00 179.25 180.52 2qkx h GLU 246 N 0.27 0.33 0.04 0.00 5.08 -1.20 -0.57 114.58 118.53 2qkx h GLU 246 Ca 0.07 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.12 2qkx h GLU 246 Cb 0.47 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2qkx h GLU 246 CO 0.02 0.22 -1.61 -0.07 -1.00 0.00 0.00 179.01 176.56 2qkx h LEU 247 N 0.34 0.14 -1.80 1.33 4.07 -0.89 -2.16 115.31 116.35 2qkx h LEU 247 Ca 0.33 -0.25 0.03 0.00 0.08 0.00 0.00 57.88 58.07 2qkx h LEU 247 Cb 0.80 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.47 2qkx h LEU 247 CO -0.09 1.22 0.20 0.00 -1.08 0.00 0.00 178.44 178.69 2qkx h ALA 248 N 0.76 1.96 0.04 1.53 0.00 -0.22 -1.00 119.26 122.32 2qkx h ALA 248 Ca -0.26 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2qkx h ALA 248 Cb 1.98 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.72 2qkx h ALA 248 CO 0.10 -0.00 -0.44 1.03 0.00 0.00 0.00 179.25 179.94 2qkx h SER 249 N 0.26 0.33 0.17 0.00 0.87 -1.05 -2.29 113.55 111.84 2qkx h SER 249 Ca 0.13 -0.85 -0.07 0.00 -1.23 0.00 0.00 61.79 59.76 2qkx h SER 249 Cb 0.18 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2qkx h SER 249 CO -0.02 1.14 -0.28 -0.08 -0.53 0.00 0.00 176.83 177.06 2qkx h GLU 250 N -0.45 0.18 -0.03 2.24 4.57 -1.05 -1.67 114.58 118.38 2qkx h GLU 250 Ca -0.07 -0.06 -0.26 0.00 -1.18 0.00 0.00 59.36 57.79 2qkx h GLU 250 Cb 1.24 -0.01 0.02 0.00 -0.16 0.00 0.00 28.75 29.84 2qkx h GLU 250 CO 0.09 0.45 -1.00 1.25 -1.18 0.00 0.00 179.01 178.62 2qkx h LEU 251 N 0.16 0.93 0.12 1.64 5.85 -1.24 -3.02 115.31 119.74 2qkx h LEU 251 Ca 0.02 -0.72 0.01 0.00 0.84 0.00 0.00 57.88 58.03 2qkx h LEU 251 Cb 0.59 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2qkx h LEU 251 CO 0.04 1.52 -0.14 -1.13 -0.34 0.00 0.00 178.44 178.40 2qkx h ASN 252 N 0.43 -0.36 -0.93 1.25 -1.24 -1.11 -0.03 115.58 113.58 2qkx h ASN 252 Ca -0.12 0.04 0.25 0.00 0.71 0.00 0.00 56.30 57.18 2qkx h ASN 252 Cb 1.65 0.13 -0.13 0.00 0.73 0.00 0.00 38.32 40.70 2qkx h ASN 252 CO 0.20 -0.20 0.41 -0.09 -1.29 0.00 0.00 177.43 176.46 2qkx h ARG 253 N -0.29 0.34 -0.00 6.67 2.43 -1.37 0.27 114.38 122.44 2qkx h ARG 253 Ca 0.01 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 58.98 2qkx h ARG 253 Cb 0.29 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2qkx h ARG 253 CO -0.05 0.23 -0.81 0.00 -1.51 0.00 0.00 179.97 177.82 2qkx h ARG 254 N 0.35 0.11 -0.08 0.20 3.08 -1.18 -1.38 114.38 115.48 2qkx h ARG 254 Ca 0.60 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.51 2qkx h ARG 254 Cb 1.22 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 2qkx h ARG 254 CO -0.57 0.86 -0.07 0.28 -1.07 0.00 0.00 179.97 179.40 2qkx h VAL 255 N 0.06 1.36 -0.65 2.04 2.07 0.13 -2.42 116.25 118.84 2qkx h VAL 255 Ca -0.02 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.34 2qkx h VAL 255 Cb 1.42 1.98 -0.05 0.00 -1.52 0.00 0.00 31.29 33.13 2qkx h VAL 255 CO 0.12 0.33 0.38 0.58 0.02 0.00 0.00 177.57 179.00 2qkx h VAL 256 N -0.23 1.02 -0.70 2.57 2.07 -0.88 -2.05 116.25 118.05 2qkx h VAL 256 Ca 0.01 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.29 2qkx h VAL 256 Cb 0.57 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2qkx h VAL 256 CO 0.02 0.13 0.46 0.00 0.02 0.00 0.00 177.57 178.20 2qkx h ALA 257 N 1.31 0.89 -0.66 1.67 0.00 -1.22 0.35 119.26 121.60 2qkx h ALA 257 Ca 0.28 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2qkx h ALA 257 Cb 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2qkx h ALA 257 CO -0.14 0.31 0.23 0.00 0.00 0.00 0.00 179.25 179.65 2qkx h ALA 258 N 1.25 0.86 -0.83 0.00 0.00 -1.03 0.59 119.26 120.10 2qkx h ALA 258 Ca 0.26 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2qkx h ALA 258 Cb -0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 2qkx h ALA 258 CO -0.05 0.51 0.38 0.45 0.00 0.00 0.00 179.25 180.53 2qkx h HIS 259 N 0.94 1.22 -0.56 0.00 3.86 -0.60 -2.57 115.15 117.44 2qkx h HIS 259 Ca 0.22 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2qkx h HIS 259 Cb 0.25 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 2qkx h HIS 259 CO 0.02 0.89 0.25 1.96 0.86 0.00 0.00 177.93 181.91 2qkx h GLN 260 N 1.20 0.82 0.00 2.45 4.20 0.91 -1.39 115.11 123.29 2qkx h GLN 260 Ca 0.28 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2qkx h GLN 260 Cb 0.15 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2qkx h GLN 260 CO -0.03 0.69 0.00 1.28 -0.67 0.00 0.00 178.83 180.10 2qkx n LEU 261 N -4.53 0.00 -0.63 1.46 4.77 0.08 -1.82 117.00 116.34 2qkx n LEU 261 Ca 0.03 0.47 0.09 0.00 -0.03 0.00 0.00 56.01 56.57 2qkx n LEU 261 Cb 0.14 -0.47 0.22 0.00 -2.33 0.00 0.00 43.42 40.98 2qkx n LEU 261 CO 0.38 -0.24 0.66 0.00 -1.33 0.00 0.00 177.39 176.86 2qkx n ALA 262 N -1.47 2.74 0.00 -1.18 0.00 -0.60 -4.97 120.51 115.03 2qkx n ALA 262 Ca 0.04 -2.34 0.00 0.00 0.00 0.00 0.00 53.44 51.14 2qkx n ALA 262 Cb 0.16 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2qkx n ALA 262 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qkx n GLY 263 N -0.75 0.99 3.62 0.00 0.00 -0.75 -4.56 105.19 103.74 2qkx n GLY 263 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2qkx n GLY 263 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qkx s VAL 264 N -2.00 5.27 -0.12 1.61 1.01 -0.78 0.10 120.40 125.49 2qkx s VAL 264 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 2qkx s VAL 264 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2qkx s VAL 264 CO 0.00 0.25 1.37 -0.89 0.00 0.00 0.00 175.10 175.83 2qkx s THR 265 N 1.59 4.07 -0.28 3.92 2.01 -0.11 -3.97 115.64 122.87 2qkx s THR 265 Ca 0.11 1.31 0.03 0.00 0.31 0.00 0.00 61.69 63.45 2qkx s THR 265 Cb -0.15 -3.85 0.08 0.00 0.01 0.00 0.00 72.50 68.59 2qkx s THR 265 CO 0.09 -0.10 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.19 2qkx s VAL 266 N 3.50 2.00 0.08 3.82 1.01 -1.26 -0.15 120.40 129.39 2qkx s VAL 266 Ca 0.60 -1.77 -0.21 0.00 0.00 0.00 0.00 61.98 60.60 2qkx s VAL 266 Cb -0.25 -2.28 -0.11 0.00 0.00 0.00 0.00 36.38 33.74 2qkx s VAL 266 CO 0.19 -0.26 1.62 0.58 0.00 0.00 0.00 175.10 177.23 2qkx h VAL 267 N 6.68 1.15 -3.06 2.92 2.07 -1.73 -3.36 116.25 120.91 2qkx h VAL 267 Ca -0.14 -0.44 -0.62 0.00 0.82 0.00 0.00 66.70 66.32 2qkx h VAL 267 Cb 1.04 1.19 -0.40 0.00 -1.52 0.00 0.00 31.29 31.60 2qkx h VAL 267 CO 0.47 0.14 -0.72 -0.62 0.02 0.00 0.00 177.57 176.86 2qkx s ASP 268 N -5.52 3.78 0.21 0.57 2.15 -1.26 -4.99 116.67 111.61 2qkx s ASP 268 Ca -0.14 -2.70 -0.09 0.00 0.43 0.00 0.00 52.55 50.05 2qkx s ASP 268 Cb 0.06 -1.15 0.29 0.00 -0.30 0.00 0.00 42.92 41.83 2qkx s ASP 268 CO 0.69 -0.26 1.74 -0.65 -0.17 0.00 0.00 175.17 176.53 2qkx h PRO 269 N 6.68 0.39 -0.15 4.34 0.11 -1.89 -1.13 132.00 140.35 2qkx h PRO 269 Ca -0.02 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.11 2qkx h PRO 269 Cb 0.92 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 2qkx h PRO 269 CO 0.52 0.26 0.21 0.00 -0.21 0.00 0.00 178.00 178.78 2qkx h ALA 270 N 1.43 1.68 0.00 -0.75 0.00 -1.97 -2.45 119.26 117.21 2qkx h ALA 270 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2qkx h ALA 270 Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2qkx h ALA 270 CO -0.32 -0.29 -0.04 0.25 0.00 0.00 0.00 179.25 178.85 2qkx n THR 271 N -3.61 1.71 -3.96 0.00 -2.24 -0.51 -4.92 114.28 100.75 2qkx n THR 271 Ca 0.01 -2.05 -0.35 0.00 -2.27 0.00 0.00 64.05 59.40 2qkx n THR 271 Cb 0.32 -0.16 -0.14 0.00 -2.10 0.00 0.00 70.33 68.25 2qkx n THR 271 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2qkx s THR 272 N -2.59 3.05 -0.23 4.28 2.01 -0.72 -1.85 115.64 119.59 2qkx s THR 272 Ca 0.28 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 2qkx s THR 272 Cb 0.25 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 70.37 2qkx s THR 272 CO 0.03 0.43 -0.03 0.26 -0.69 0.00 0.00 174.62 174.61 2qkx s TRP 273 N 1.43 3.00 -0.26 4.92 0.52 -0.15 -4.85 118.94 123.54 2qkx s TRP 273 Ca 0.05 -1.06 0.02 0.00 0.02 0.00 0.00 56.10 55.13 2qkx s TRP 273 Cb -0.14 -2.11 0.07 0.00 -1.15 0.00 0.00 33.47 30.13 2qkx s TRP 273 CO -0.05 -0.59 -0.04 0.42 0.02 0.00 0.00 176.95 176.70 2qkx s ILE 274 N 1.45 1.72 1.00 2.03 1.01 -1.26 0.25 121.20 127.41 2qkx s ILE 274 Ca 0.04 -1.46 -0.12 0.00 0.00 0.00 0.00 60.65 59.11 2qkx s ILE 274 Cb -0.15 -2.00 0.13 0.00 0.01 0.00 0.00 42.46 40.45 2qkx s ILE 274 CO -0.03 -0.18 0.76 0.47 0.00 0.00 0.00 174.94 175.96 2qkx n ASP 275 N 4.58 -1.11 0.18 3.58 9.92 -0.26 -4.90 116.55 128.54 2qkx n ASP 275 Ca -0.10 0.23 0.03 0.00 -0.53 0.00 0.00 54.79 54.42 2qkx n ASP 275 Cb 0.43 -1.29 0.39 0.00 -0.64 0.00 0.00 41.12 40.01 2qkx n ASP 275 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 2qkx h VAL 276 N -1.95 1.22 0.00 2.53 -1.51 -1.54 -3.00 116.25 112.00 2qkx h VAL 276 Ca -0.48 -1.07 0.00 0.00 -1.23 0.00 0.00 66.70 63.93 2qkx h VAL 276 Cb 1.29 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 32.00 2qkx h VAL 276 CO 0.40 0.31 -0.28 0.47 -1.23 0.00 0.00 177.57 177.24 2qkx n ASP 277 N -4.17 0.36 -4.73 4.19 8.00 -1.26 -4.94 116.55 113.99 2qkx n ASP 277 Ca -0.02 0.15 -0.42 0.00 0.71 0.00 0.00 54.79 55.22 2qkx n ASP 277 Cb 0.35 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 2qkx n ASP 277 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qkx s VAL 278 N -3.03 2.19 0.02 2.53 1.01 -1.14 -4.87 120.40 117.11 2qkx s VAL 278 Ca 0.12 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.26 2qkx s VAL 278 Cb 0.17 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2qkx s VAL 278 CO 0.63 0.02 0.05 0.42 0.00 0.00 0.00 175.10 176.22 2qkx s THR 279 N 0.56 4.49 -0.02 3.92 -4.23 -1.06 -5.02 115.64 114.28 2qkx s THR 279 Ca 0.68 -0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 60.61 2qkx s THR 279 Cb -0.47 -3.07 0.02 0.00 1.34 0.00 0.00 72.50 70.32 2qkx s THR 279 CO 0.40 0.29 0.04 -0.63 -0.54 0.00 0.00 174.62 174.18 2qkx s ILE 280 N -1.21 -0.05 0.58 2.99 1.01 -1.24 0.47 121.20 123.75 2qkx s ILE 280 Ca 0.24 0.17 -0.13 0.00 0.00 0.00 0.00 60.65 60.92 2qkx s ILE 280 Cb -0.12 -0.09 -0.05 0.00 0.01 0.00 0.00 42.46 42.21 2qkx s ILE 280 CO 0.15 0.07 1.01 -0.83 0.00 0.00 0.00 174.94 175.34 2qkx s GLY 281 N 0.85 1.81 0.40 6.18 0.00 0.82 -4.91 107.32 112.47 2qkx s GLY 281 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 44.72 44.41 2qkx s GLY 281 CO -0.03 0.27 0.78 -2.13 0.00 0.00 0.00 173.10 171.99 2qkx n ARG 282 N -2.30 0.92 -1.17 2.90 0.63 -1.26 -2.54 116.66 113.84 2qkx n ARG 282 Ca 0.06 0.33 -0.06 0.00 -0.92 0.00 0.00 57.85 57.26 2qkx n ARG 282 Cb 0.54 -1.73 -0.02 0.00 0.45 0.00 0.00 32.46 31.69 2qkx n ARG 282 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2qkx n ASP 283 N 0.96 -5.86 -4.77 6.15 8.00 0.29 -1.14 116.55 120.19 2qkx n ASP 283 Ca 0.11 0.14 -0.36 0.00 0.71 0.00 0.00 54.79 55.39 2qkx n ASP 283 Cb 0.38 -3.88 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 2qkx n ASP 283 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qkx s THR 284 N -1.49 2.99 -0.16 -3.53 2.01 -1.05 -3.88 115.64 110.52 2qkx s THR 284 Ca 0.00 0.69 -0.00 0.00 0.31 0.00 0.00 61.69 62.69 2qkx s THR 284 Cb 0.00 -3.33 -0.00 0.00 0.01 0.00 0.00 72.50 69.18 2qkx s THR 284 CO 0.00 -0.06 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.04 2qkx s VAL 285 N -1.59 2.71 -0.22 3.82 1.01 -0.53 -0.94 120.40 124.66 2qkx s VAL 285 Ca 0.68 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 2qkx s VAL 285 Cb -0.28 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 2qkx s VAL 285 CO 0.33 0.51 -0.01 -0.63 0.00 0.00 0.00 175.10 175.30 2qkx s ILE 286 N 0.93 3.73 0.66 2.22 1.01 0.79 -1.28 121.20 129.26 2qkx s ILE 286 Ca -0.03 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 2qkx s ILE 286 Cb -0.15 -2.70 0.04 0.00 0.01 0.00 0.00 42.46 39.66 2qkx s ILE 286 CO -0.02 0.41 0.96 -1.00 0.00 0.00 0.00 174.94 175.30 2qkx s HIS 287 N 1.33 3.02 1.02 3.97 3.76 0.56 -2.00 115.29 126.95 2qkx s HIS 287 Ca 0.04 0.48 -0.12 0.00 -0.15 0.00 0.00 55.06 55.32 2qkx s HIS 287 Cb -0.15 -3.02 0.21 0.00 1.11 0.00 0.00 32.58 30.73 2qkx s HIS 287 CO -0.00 -1.18 1.08 -2.14 -0.85 0.00 0.00 174.74 171.65 2qkx s PRO 288 N -5.13 0.18 -1.08 8.40 0.02 -1.26 -4.14 135.00 131.99 2qkx s PRO 288 Ca 0.58 1.02 -0.03 0.00 0.02 0.00 0.00 61.00 62.60 2qkx s PRO 288 Cb -0.11 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.75 2qkx s PRO 288 CO 0.44 -3.03 0.34 0.41 -0.33 0.00 0.00 177.00 174.83 2qkx n GLY 289 N 0.10 -0.15 3.32 0.52 0.00 -0.77 -2.56 105.19 105.65 2qkx n GLY 289 Ca 0.06 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2qkx n GLY 289 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qkx s THR 290 N -2.92 2.57 -0.17 2.61 2.01 -0.95 -2.48 115.64 116.30 2qkx s THR 290 Ca 0.17 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 2qkx s THR 290 Cb -0.07 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 2qkx s THR 290 CO 0.21 0.55 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.49 2qkx s GLN 291 N 0.06 3.34 -0.33 4.92 1.11 0.68 -0.98 119.66 128.45 2qkx s GLN 291 Ca -0.08 -0.68 -0.04 0.00 0.01 0.00 0.00 55.36 54.57 2qkx s GLN 291 Cb -0.15 -2.76 0.05 0.00 -1.01 0.00 0.00 33.01 29.14 2qkx s GLN 291 CO 0.05 0.02 0.08 -0.51 0.01 0.00 0.00 175.29 174.94 2qkx s LEU 292 N 0.86 4.28 0.16 2.90 1.43 0.14 -0.48 118.68 127.97 2qkx s LEU 292 Ca -0.03 -1.33 0.10 0.00 -1.03 0.00 0.00 54.13 51.84 2qkx s LEU 292 Cb -0.15 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2qkx s LEU 292 CO 0.00 -0.33 -0.19 -0.76 0.23 0.00 0.00 176.35 175.30 2qkx s LEU 293 N 1.30 2.64 0.00 1.79 1.43 0.27 -1.11 118.68 125.00 2qkx s LEU 293 Ca -0.02 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 2qkx s LEU 293 Cb -0.20 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.61 2qkx s LEU 293 CO 0.00 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.33 2qkx n GLY 294 N 0.43 2.03 0.83 -3.19 0.00 -1.26 -2.22 105.19 101.82 2qkx n GLY 294 Ca -0.14 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.59 2qkx n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qkx n ARG 295 N 13.08 2.10 -1.15 1.61 1.74 -1.26 -3.83 116.66 128.95 2qkx n ARG 295 Ca 0.00 -1.64 -0.45 0.00 -0.77 0.00 0.00 57.85 54.99 2qkx n ARG 295 Cb 0.00 -1.45 -0.06 0.00 -1.02 0.00 0.00 32.46 29.92 2qkx n ARG 295 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2qkx n THR 296 N 0.89 0.00 -5.10 0.55 -1.04 -1.16 -4.68 114.28 103.72 2qkx n THR 296 Ca 0.17 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.86 2qkx n THR 296 Cb 0.47 -0.22 -0.16 0.00 -1.82 0.00 0.00 70.33 68.60 2qkx n THR 296 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2qkx s GLN 297 N 1.32 3.09 -0.14 -2.82 -0.21 -0.49 -2.55 119.66 117.86 2qkx s GLN 297 Ca 0.69 -0.83 -0.01 0.00 0.02 0.00 0.00 55.36 55.23 2qkx s GLN 297 Cb -0.98 -2.38 -0.01 0.00 1.00 0.00 0.00 33.01 30.64 2qkx s GLN 297 CO 0.50 0.21 -0.11 0.42 -2.12 0.00 0.00 175.29 174.20 2qkx s ILE 298 N 0.29 3.18 0.00 1.08 -1.09 0.17 -1.12 121.20 123.71 2qkx s ILE 298 Ca -0.15 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 2qkx s ILE 298 Cb -0.17 -2.35 0.00 0.00 -1.58 0.00 0.00 42.46 38.36 2qkx s ILE 298 CO 0.08 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 174.91 2qkx n GLY 299 N 3.69 -2.38 3.91 6.18 0.00 -0.48 -0.13 105.19 115.98 2qkx n GLY 299 Ca -0.18 -1.43 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 2qkx n GLY 299 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qkx s GLY 300 N -2.12 1.57 -1.63 -0.02 0.00 -1.26 -1.85 107.32 102.01 2qkx s GLY 300 Ca 0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 44.72 44.00 2qkx s GLY 300 CO 0.00 -0.32 0.80 0.54 0.00 0.00 0.00 173.10 174.12 2qkx n ARG 301 N -2.50 -3.77 -2.94 2.90 1.74 -0.29 -0.90 116.66 110.90 2qkx n ARG 301 Ca 0.03 0.43 -0.19 0.00 -0.77 0.00 0.00 57.85 57.36 2qkx n ARG 301 Cb 0.56 -5.14 0.03 0.00 -1.02 0.00 0.00 32.46 26.90 2qkx n ARG 301 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qkx s VAL 303 N -2.54 0.60 -0.07 0.00 1.01 -0.47 -1.46 120.40 117.47 2qkx s VAL 303 Ca 0.58 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.50 2qkx s VAL 303 Cb -0.09 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 2qkx s VAL 303 CO 0.36 0.22 -0.21 -0.69 0.00 0.00 0.00 175.10 174.78 2qkx s VAL 304 N 1.87 1.81 0.00 2.92 1.01 -0.40 0.47 120.40 128.08 2qkx s VAL 304 Ca 0.04 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2qkx s VAL 304 Cb -0.13 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.70 2qkx s VAL 304 CO -0.06 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2qkx n GLY 305 N 3.27 0.64 3.82 4.51 0.00 0.26 -0.32 105.19 117.37 2qkx n GLY 305 Ca -0.19 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.46 2qkx n GLY 305 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qkx s PRO 306 N -1.28 0.07 -1.34 1.61 0.04 -1.26 -4.43 135.00 128.41 2qkx s PRO 306 Ca 0.00 -0.28 -0.18 0.00 0.04 0.00 0.00 61.00 60.58 2qkx s PRO 306 Cb 0.00 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.79 2qkx s PRO 306 CO 0.00 -2.82 0.44 -0.25 0.04 0.00 0.00 177.00 174.41 2qkx n ASP 307 N -4.08 -2.14 -4.24 6.66 8.00 -1.04 -1.67 116.55 118.04 2qkx n ASP 307 Ca 0.14 -1.23 -0.32 0.00 0.71 0.00 0.00 54.79 54.09 2qkx n ASP 307 Cb 0.59 -1.99 -0.17 0.00 -0.02 0.00 0.00 41.12 39.54 2qkx n ASP 307 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qkx s THR 308 N -3.85 2.17 -0.18 -3.53 2.01 -1.13 -3.32 115.64 107.81 2qkx s THR 308 Ca 0.27 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 61.30 2qkx s THR 308 Cb -0.14 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.56 2qkx s THR 308 CO 0.96 0.56 -0.20 -0.89 -0.69 0.00 0.00 174.62 174.36 2qkx s THR 309 N 0.26 2.08 -0.16 -0.82 2.01 -0.01 -0.23 115.64 118.78 2qkx s THR 309 Ca -0.16 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 60.91 2qkx s THR 309 Cb -0.17 -1.87 0.03 0.00 0.01 0.00 0.00 72.50 70.50 2qkx s THR 309 CO 0.08 0.54 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.68 2qkx s LEU 310 N 1.23 1.77 -0.20 4.42 1.43 0.36 -1.42 118.68 126.27 2qkx s LEU 310 Ca 0.03 -0.61 -0.06 0.00 -1.03 0.00 0.00 54.13 52.46 2qkx s LEU 310 Cb -0.13 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.96 2qkx s LEU 310 CO -0.11 -0.12 0.03 -0.89 0.23 0.00 0.00 176.35 175.50 2qkx s THR 311 N 1.52 4.28 -1.19 5.49 2.01 -0.71 -0.56 115.64 126.47 2qkx s THR 311 Ca 0.02 -0.20 -0.27 0.00 0.31 0.00 0.00 61.69 61.55 2qkx s THR 311 Cb -0.14 -2.95 0.02 0.00 0.01 0.00 0.00 72.50 69.44 2qkx s THR 311 CO -0.09 0.42 0.72 0.47 -0.69 0.00 0.00 174.62 175.45 2qkx n ASP 312 N 4.18 -4.57 -4.25 3.53 8.00 -0.94 -1.34 116.55 121.17 2qkx n ASP 312 Ca -0.17 -1.15 -0.33 0.00 0.71 0.00 0.00 54.79 53.85 2qkx n ASP 312 Cb 0.52 -2.56 -0.16 0.00 -0.02 0.00 0.00 41.12 38.90 2qkx n ASP 312 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qkx s VAL 313 N -3.52 2.53 -0.09 2.53 1.01 -1.26 -1.69 120.40 119.92 2qkx s VAL 313 Ca 0.47 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 61.39 2qkx s VAL 313 Cb -0.21 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 2qkx s VAL 313 CO 0.92 0.52 0.74 0.00 0.00 0.00 0.00 175.10 177.28 2qkx s ALA 314 N 0.80 3.36 -0.10 5.51 0.00 -0.69 -1.40 121.76 129.25 2qkx s ALA 314 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2qkx s ALA 314 Cb -0.15 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 19.95 2qkx s ALA 314 CO -0.00 -0.24 -0.09 0.08 0.00 0.00 0.00 175.76 175.51 2qkx s VAL 315 N 1.13 1.04 0.02 0.00 1.01 -0.28 0.24 120.40 123.56 2qkx s VAL 315 Ca 0.38 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 2qkx s VAL 315 Cb -0.18 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.17 2qkx s VAL 315 CO 0.18 0.36 0.01 0.61 0.00 0.00 0.00 175.10 176.26 2qkx n GLY 316 N 4.66 -2.72 3.77 4.51 0.00 0.36 -1.38 105.19 114.39 2qkx n GLY 316 Ca -0.15 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 2qkx n GLY 316 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qkx s ASP 317 N -1.64 7.43 -1.28 1.61 1.01 -1.26 -3.55 116.67 118.99 2qkx s ASP 317 Ca 0.01 1.76 0.00 0.00 0.71 0.00 0.00 52.55 55.03 2qkx s ASP 317 Cb -0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.38 2qkx s ASP 317 CO 0.01 0.11 0.00 0.61 0.21 0.00 0.00 175.17 176.11 2qkx n GLY 318 N 1.24 1.23 3.91 0.21 0.00 -0.08 -0.75 105.19 110.96 2qkx n GLY 318 Ca -0.02 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 2qkx n GLY 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qkx s ALA 319 N -2.46 3.41 -0.12 4.61 0.00 -1.26 -3.47 121.76 122.47 2qkx s ALA 319 Ca 0.00 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.38 2qkx s ALA 319 Cb 0.00 -2.55 0.02 0.00 0.00 0.00 0.00 23.12 20.59 2qkx s ALA 319 CO 0.00 -0.45 -0.16 0.45 0.00 0.00 0.00 175.76 175.60 2qkx s SER 320 N -4.16 2.62 -0.34 0.00 0.15 -0.28 -1.37 113.70 110.32 2qkx s SER 320 Ca 0.49 -0.47 -0.00 0.00 0.70 0.00 0.00 55.95 56.66 2qkx s SER 320 Cb -0.10 -1.18 0.11 0.00 -1.71 0.00 0.00 66.02 63.14 2qkx s SER 320 CO 0.44 0.01 0.13 -0.69 1.20 0.00 0.00 173.24 174.34 2qkx s VAL 321 N 1.06 0.89 -0.04 4.45 1.01 0.18 -1.24 120.40 126.70 2qkx s VAL 321 Ca -0.04 -1.61 0.07 0.00 0.00 0.00 0.00 61.98 60.40 2qkx s VAL 321 Cb -0.15 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 2qkx s VAL 321 CO -0.04 -0.74 -0.24 -0.69 0.00 0.00 0.00 175.10 173.39 2qkx s VAL 322 N 1.37 1.95 -1.44 2.92 1.01 -0.31 -0.57 120.40 125.33 2qkx s VAL 322 Ca 0.12 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2qkx s VAL 322 Cb -0.19 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.56 2qkx s VAL 322 CO -0.19 0.55 0.08 0.54 0.00 0.00 0.00 175.10 176.08 2qkx n ARG 323 N 2.75 -0.85 -4.58 2.72 1.74 -0.67 -3.76 116.66 114.01 2qkx n ARG 323 Ca -0.17 0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 56.69 2qkx n ARG 323 Cb 0.52 -3.27 -0.13 0.00 -1.02 0.00 0.00 32.46 28.55 2qkx n ARG 323 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2qkx s THR 324 N -4.23 2.35 -0.25 0.55 2.01 -1.21 -0.45 115.64 114.41 2qkx s THR 324 Ca 0.06 -1.54 -0.00 0.00 0.31 0.00 0.00 61.69 60.52 2qkx s THR 324 Cb -0.03 -2.00 0.07 0.00 0.01 0.00 0.00 72.50 70.55 2qkx s THR 324 CO 0.95 0.21 0.00 -2.28 -0.69 0.00 0.00 174.62 172.81 2qkx s HIS 325 N -0.97 2.08 0.05 4.92 2.46 -0.85 -0.82 115.29 122.16 2qkx s HIS 325 Ca 0.14 -1.66 -0.03 0.00 0.47 0.00 0.00 55.06 53.98 2qkx s HIS 325 Cb -0.10 -1.59 -0.03 0.00 -0.13 0.00 0.00 32.58 30.73 2qkx s HIS 325 CO 0.05 -0.77 0.03 0.20 -2.47 0.00 0.00 174.74 171.78 2qkx s GLY 326 N 1.50 0.32 0.09 1.59 0.00 -0.51 -1.89 107.32 108.42 2qkx s GLY 326 Ca -0.01 -0.91 -0.20 0.00 0.00 0.00 0.00 44.72 43.60 2qkx s GLY 326 CO -0.10 -1.04 0.49 -1.35 0.00 0.00 0.00 173.10 171.10 2qkx s SER 327 N -2.60 -0.39 -1.20 1.64 1.04 -0.26 -1.74 113.70 110.19 2qkx s SER 327 Ca 0.02 -0.01 -0.35 0.00 0.48 0.00 0.00 55.95 56.09 2qkx s SER 327 Cb 0.04 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.70 2qkx s SER 327 CO -0.08 -0.79 0.67 -1.20 0.98 0.00 0.00 173.24 172.82 2qkx n SER 328 N 0.10 -4.09 -3.94 7.02 7.64 -0.45 -2.74 113.62 117.16 2qkx n SER 328 Ca -0.17 -1.31 -0.09 0.00 1.01 0.00 0.00 58.87 58.31 2qkx n SER 328 Cb 0.62 -1.57 -0.07 0.00 -1.01 0.00 0.00 64.21 62.17 2qkx n SER 328 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2qkx s SER 329 N -3.52 0.11 0.07 6.43 0.01 -1.18 -0.28 113.70 115.35 2qkx s SER 329 Ca 0.49 -0.82 0.09 0.00 1.31 0.00 0.00 55.95 57.01 2qkx s SER 329 Cb -0.27 0.38 -0.03 0.00 0.21 0.00 0.00 66.02 66.30 2qkx s SER 329 CO 0.97 -0.80 -0.23 -0.94 0.41 0.00 0.00 173.24 172.65 2qkx s SER 330 N -2.93 2.83 -0.11 2.44 1.04 -0.46 -1.70 113.70 114.80 2qkx s SER 330 Ca 0.13 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.94 2qkx s SER 330 Cb 0.04 -0.21 0.02 0.00 0.10 0.00 0.00 66.02 65.97 2qkx s SER 330 CO -0.05 0.17 -0.13 -0.63 0.98 0.00 0.00 173.24 173.58 2qkx s ILE 331 N -0.93 1.36 0.90 -1.02 1.01 0.14 -1.47 121.20 121.19 2qkx s ILE 331 Ca 0.10 -0.54 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 2qkx s ILE 331 Cb -0.10 -1.28 0.13 0.00 0.01 0.00 0.00 42.46 41.23 2qkx s ILE 331 CO 0.03 0.42 1.11 -0.83 0.00 0.00 0.00 174.94 175.67 2qkx s GLY 332 N 1.24 1.59 0.16 6.18 0.00 0.14 -0.49 107.32 116.15 2qkx s GLY 332 Ca -0.02 -0.33 -0.32 0.00 0.00 0.00 0.00 44.72 44.04 2qkx s GLY 332 CO -0.05 0.19 1.00 1.22 0.00 0.00 0.00 173.10 175.46 2qkx n ASP 333 N -3.79 0.59 -0.95 1.64 9.92 -1.26 -2.40 116.55 120.29 2qkx n ASP 333 Ca 0.06 1.15 -0.12 0.00 -0.53 0.00 0.00 54.79 55.35 2qkx n ASP 333 Cb 0.57 -1.12 -0.05 0.00 -0.64 0.00 0.00 41.12 39.88 2qkx n ASP 333 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qkx n GLY 334 N 1.85 1.28 3.86 0.44 0.00 0.07 0.01 105.19 112.70 2qkx n GLY 334 Ca 0.16 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2qkx n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qkx s ALA 335 N -2.31 3.33 -0.24 4.61 0.00 -1.01 -3.59 121.76 122.55 2qkx s ALA 335 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 2qkx s ALA 335 Cb 0.00 -2.75 0.03 0.00 0.00 0.00 0.00 23.12 20.40 2qkx s ALA 335 CO 0.00 0.24 -0.09 0.00 0.00 0.00 0.00 175.76 175.91 2qkx s ALA 336 N -2.10 2.62 -0.04 0.00 0.00 0.14 -1.12 121.76 121.26 2qkx s ALA 336 Ca 0.53 -1.47 0.07 0.00 0.00 0.00 0.00 51.96 51.09 2qkx s ALA 336 Cb -0.10 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.41 2qkx s ALA 336 CO 0.21 -0.80 -0.25 0.08 0.00 0.00 0.00 175.76 175.01 2qkx s VAL 337 N 1.29 2.10 0.00 0.00 1.01 -0.38 -0.23 120.40 124.19 2qkx s VAL 337 Ca -0.00 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.91 2qkx s VAL 337 Cb -0.17 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.47 2qkx s VAL 337 CO -0.06 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2qkx n GLY 338 N 2.70 0.92 3.84 4.51 0.00 -0.33 -1.16 105.19 115.68 2qkx n GLY 338 Ca -0.17 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.48 2qkx n GLY 338 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qkx s PRO 339 N -1.55 4.02 -0.56 1.61 0.04 -1.25 -4.40 135.00 132.91 2qkx s PRO 339 Ca 0.00 0.86 -0.02 0.00 0.04 0.00 0.00 61.00 61.88 2qkx s PRO 339 Cb 0.00 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 2qkx s PRO 339 CO 0.00 -0.06 0.48 1.19 0.04 0.00 0.00 177.00 178.65 2qkx n PHE 340 N -0.98 -1.22 -4.77 0.56 3.72 0.40 -3.79 117.46 111.38 2qkx n PHE 340 Ca 0.05 0.45 -0.27 0.00 -0.05 0.00 0.00 57.45 57.64 2qkx n PHE 340 Cb 0.54 -3.41 -0.14 0.00 -0.94 0.00 0.00 39.48 35.52 2qkx n PHE 340 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2qkx s THR 341 N -3.20 1.79 -0.23 4.37 2.01 -1.19 0.45 115.64 119.65 2qkx s THR 341 Ca 0.17 -1.21 0.01 0.00 0.31 0.00 0.00 61.69 60.97 2qkx s THR 341 Cb -0.02 -1.54 0.06 0.00 0.01 0.00 0.00 72.50 71.01 2qkx s THR 341 CO 0.38 0.29 -0.06 -0.47 -0.69 0.00 0.00 174.62 174.07 2qkx s TYR 342 N -0.76 2.45 -0.43 4.92 5.04 -0.22 -2.00 117.35 126.34 2qkx s TYR 342 Ca 0.09 -1.78 -0.13 0.00 -2.44 0.00 0.00 57.07 52.81 2qkx s TYR 342 Cb -0.09 -1.60 0.06 0.00 0.35 0.00 0.00 41.96 40.68 2qkx s TYR 342 CO 0.01 -0.78 0.31 -0.51 -1.34 0.00 0.00 175.55 173.24 2qkx s LEU 343 N 1.38 5.24 0.57 6.97 1.43 -0.79 -0.56 118.68 132.92 2qkx s LEU 343 Ca -0.06 -1.25 -0.05 0.00 -1.03 0.00 0.00 54.13 51.74 2qkx s LEU 343 Cb -0.19 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.94 2qkx s LEU 343 CO -0.06 -0.54 0.88 -0.13 0.23 0.00 0.00 176.35 176.73 2qkx s ARG 344 N 1.57 2.95 0.49 1.70 0.52 0.66 -1.10 118.95 125.74 2qkx s ARG 344 Ca 0.03 -0.05 -0.22 0.00 -0.52 0.00 0.00 55.73 54.97 2qkx s ARG 344 Cb -0.22 -2.30 -0.08 0.00 0.52 0.00 0.00 34.95 32.86 2qkx s ARG 344 CO 0.06 -0.64 1.05 -2.30 0.02 0.00 0.00 175.30 173.49 2qkx n PRO 345 N -2.53 1.33 -0.01 3.54 -0.02 -1.11 -2.95 135.00 133.26 2qkx n PRO 345 Ca 0.04 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2qkx n PRO 345 Cb 0.57 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2qkx n PRO 345 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qkx n GLY 346 N 1.13 0.28 3.68 -1.23 0.00 0.62 -2.20 105.19 107.48 2qkx n GLY 346 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2qkx n GLY 346 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qkx s THR 347 N -2.03 4.34 -0.21 2.61 2.01 -1.15 -2.25 115.64 118.96 2qkx s THR 347 Ca 0.00 1.65 0.01 0.00 0.31 0.00 0.00 61.69 63.66 2qkx s THR 347 Cb 0.00 -4.06 0.05 0.00 0.01 0.00 0.00 72.50 68.50 2qkx s THR 347 CO 0.00 -0.04 -0.08 0.00 -0.69 0.00 0.00 174.62 173.81 2qkx s ALA 348 N 2.51 1.96 -0.26 7.40 0.00 0.95 -1.36 121.76 132.97 2qkx s ALA 348 Ca 0.54 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.22 2qkx s ALA 348 Cb -0.23 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.57 2qkx s ALA 348 CO 0.19 -0.95 -0.00 -1.17 0.00 0.00 0.00 175.76 173.82 2qkx s LEU 349 N 1.41 3.33 1.12 0.00 2.96 -0.54 0.45 118.68 127.42 2qkx s LEU 349 Ca -0.03 -0.65 -0.13 0.00 -0.22 0.00 0.00 54.13 53.11 2qkx s LEU 349 Cb -0.17 -1.77 0.26 0.00 0.50 0.00 0.00 46.19 45.01 2qkx s LEU 349 CO -0.07 -0.11 1.04 -0.83 -1.32 0.00 0.00 176.35 175.06 2qkx s GLY 350 N 1.44 1.55 0.20 7.98 0.00 0.12 0.28 107.32 118.90 2qkx s GLY 350 Ca 0.03 -0.14 -0.31 0.00 0.00 0.00 0.00 44.72 44.30 2qkx s GLY 350 CO -0.01 0.55 0.96 0.00 0.00 0.00 0.00 173.10 174.59 2qkx n ALA 351 N -4.76 -1.32 -1.68 3.20 0.00 -1.26 -1.64 120.51 113.06 2qkx n ALA 351 Ca 0.04 0.45 -0.17 0.00 0.00 0.00 0.00 53.44 53.76 2qkx n ALA 351 Cb 0.55 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 2qkx n ALA 351 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qkx n ASP 352 N 1.73 -4.48 -4.80 0.00 8.00 0.10 -1.64 116.55 115.45 2qkx n ASP 352 Ca 0.14 0.34 -0.33 0.00 0.71 0.00 0.00 54.79 55.66 2qkx n ASP 352 Cb 0.26 -3.99 0.01 0.00 -0.02 0.00 0.00 41.12 37.38 2qkx n ASP 352 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2qkx s GLY 353 N -2.33 2.09 -0.09 0.44 0.00 -0.65 -3.72 107.32 103.06 2qkx s GLY 353 Ca 0.00 0.36 0.03 0.00 0.00 0.00 0.00 44.72 45.12 2qkx s GLY 353 CO 0.00 0.68 -0.20 1.25 0.00 0.00 0.00 173.10 174.83 2qkx s LYS 354 N -4.15 2.56 -0.25 2.90 2.20 0.63 -0.68 119.74 122.94 2qkx s LYS 354 Ca 0.63 -0.71 0.02 0.00 -0.36 0.00 0.00 55.97 55.56 2qkx s LYS 354 Cb -0.16 -1.99 0.05 0.00 -1.51 0.00 0.00 37.83 34.23 2qkx s LYS 354 CO 0.38 0.11 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.86 2qkx s LEU 355 N 0.50 3.34 0.00 5.43 1.43 0.68 -0.53 118.68 129.53 2qkx s LEU 355 Ca -0.16 -1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 51.62 2qkx s LEU 355 Cb -0.17 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.53 2qkx s LEU 355 CO 0.06 -0.17 0.20 0.61 0.23 0.00 0.00 176.35 177.28 2qkx n GLY 356 N 4.46 0.12 3.73 -3.19 0.00 -0.08 -1.19 105.19 109.04 2qkx n GLY 356 Ca -0.15 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 2qkx n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qkx n ALA 357 N -3.04 1.60 -3.60 4.61 0.00 -1.21 -3.23 120.51 115.65 2qkx n ALA 357 Ca -0.03 0.23 -0.24 0.00 0.00 0.00 0.00 53.44 53.40 2qkx n ALA 357 Cb 0.11 -2.33 0.08 0.00 0.00 0.00 0.00 19.45 17.31 2qkx n ALA 357 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2qkx n PHE 358 N -0.37 -2.87 -4.96 0.00 3.72 0.17 -0.91 117.46 112.24 2qkx n PHE 358 Ca 0.07 1.02 -0.32 0.00 -0.05 0.00 0.00 57.45 58.16 2qkx n PHE 358 Cb 0.41 -5.04 -0.16 0.00 -0.94 0.00 0.00 39.48 33.75 2qkx n PHE 358 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2qkx s VAL 359 N -3.32 2.53 -0.15 -4.37 1.01 -1.20 -1.65 120.40 113.26 2qkx s VAL 359 Ca 0.57 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2qkx s VAL 359 Cb -0.25 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 2qkx s VAL 359 CO 0.73 0.54 -0.16 -0.70 0.00 0.00 0.00 175.10 175.51 2qkx s GLU 360 N 0.40 3.21 -0.13 2.72 2.12 -0.49 -1.06 118.70 125.47 2qkx s GLU 360 Ca -0.14 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.43 2qkx s GLU 360 Cb -0.17 -2.58 -0.01 0.00 0.26 0.00 0.00 34.13 31.63 2qkx s GLU 360 CO 0.07 0.05 -0.15 0.08 -0.54 0.00 0.00 175.26 174.77 2qkx s VAL 361 N 0.71 2.87 -0.13 3.70 1.01 0.27 -0.84 120.40 128.00 2qkx s VAL 361 Ca -0.07 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.20 2qkx s VAL 361 Cb -0.16 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.04 2qkx s VAL 361 CO 0.01 0.53 -0.16 -0.75 0.00 0.00 0.00 175.10 174.72 2qkx s LYS 362 N 0.42 2.44 -1.40 2.72 2.20 -0.20 -0.24 119.74 125.68 2qkx s LYS 362 Ca -0.11 -0.63 -0.03 0.00 -0.36 0.00 0.00 55.97 54.84 2qkx s LYS 362 Cb -0.16 -2.10 0.02 0.00 -1.51 0.00 0.00 37.83 34.09 2qkx s LYS 362 CO 0.05 -0.11 0.63 -1.71 -0.36 0.00 0.00 175.35 173.85 2qkx n ASN 363 N 4.37 -1.43 -4.15 1.43 5.15 -0.93 -0.78 115.26 118.91 2qkx n ASN 363 Ca -0.19 -0.90 -0.22 0.00 -0.60 0.00 0.00 54.58 52.67 2qkx n ASN 363 Cb 0.51 -3.54 -0.14 0.00 -0.53 0.00 0.00 39.78 36.07 2qkx n ASN 363 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2qkx s SER 364 N -4.16 1.81 -0.28 1.20 0.01 -0.95 -3.06 113.70 108.27 2qkx s SER 364 Ca 0.14 -0.41 -0.15 0.00 1.31 0.00 0.00 55.95 56.84 2qkx s SER 364 Cb -0.07 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 2qkx s SER 364 CO 0.85 0.10 0.36 -0.89 0.41 0.00 0.00 173.24 174.07 2qkx s THR 365 N -0.69 5.18 -0.30 1.44 2.01 -0.85 -0.03 115.64 122.39 2qkx s THR 365 Ca 0.04 0.45 -0.03 0.00 0.31 0.00 0.00 61.69 62.46 2qkx s THR 365 Cb -0.07 -3.71 0.04 0.00 0.01 0.00 0.00 72.50 68.77 2qkx s THR 365 CO 0.01 0.12 0.02 -0.63 -0.69 0.00 0.00 174.62 173.45 2qkx s ILE 366 N 2.05 3.19 0.89 1.82 1.01 0.17 -0.92 121.20 129.41 2qkx s ILE 366 Ca 0.14 -1.27 -0.10 0.00 0.00 0.00 0.00 60.65 59.42 2qkx s ILE 366 Cb -0.16 -2.80 0.13 0.00 0.01 0.00 0.00 42.46 39.64 2qkx s ILE 366 CO 0.10 -0.09 1.12 -0.83 0.00 0.00 0.00 174.94 175.25 2qkx s GLY 367 N 1.30 1.67 0.10 6.18 0.00 -0.73 0.16 107.32 116.00 2qkx s GLY 367 Ca -0.04 0.41 -0.35 0.00 0.00 0.00 0.00 44.72 44.75 2qkx s GLY 367 CO -0.00 0.83 0.97 2.41 0.00 0.00 0.00 173.10 177.31 2qkx n THR 368 N -4.06 0.75 -1.14 0.90 -1.04 -1.26 -2.01 114.28 106.42 2qkx n THR 368 Ca 0.10 -0.19 -0.05 0.00 -2.04 0.00 0.00 64.05 61.87 2qkx n THR 368 Cb 0.53 -0.26 -0.02 0.00 -1.82 0.00 0.00 70.33 68.75 2qkx n THR 368 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qkx n GLY 369 N 1.82 0.55 3.72 3.41 0.00 -0.65 0.20 105.19 114.23 2qkx n GLY 369 Ca 0.18 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2qkx n GLY 369 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qkx s THR 370 N -1.58 4.78 -0.13 2.61 2.01 -0.85 -4.15 115.64 118.33 2qkx s THR 370 Ca 0.00 1.85 -0.06 0.00 0.31 0.00 0.00 61.69 63.79 2qkx s THR 370 Cb 0.00 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 2qkx s THR 370 CO 0.00 0.26 0.10 -0.54 -0.69 0.00 0.00 174.62 173.75 2qkx s LYS 371 N 0.47 3.46 -0.43 4.92 1.02 -1.03 -0.27 119.74 127.89 2qkx s LYS 371 Ca 0.45 -0.23 0.02 0.00 0.02 0.00 0.00 55.97 56.23 2qkx s LYS 371 Cb -0.21 -3.12 0.12 0.00 -0.52 0.00 0.00 37.83 34.11 2qkx s LYS 371 CO 0.25 0.66 0.20 0.08 -0.92 0.00 0.00 175.35 175.63 2qkx s VAL 372 N -0.71 1.69 0.27 3.17 1.01 0.31 -1.54 120.40 124.59 2qkx s VAL 372 Ca 0.13 -2.53 0.01 0.00 0.00 0.00 0.00 61.98 59.59 2qkx s VAL 372 Cb -0.12 -2.20 0.06 0.00 0.00 0.00 0.00 36.38 34.12 2qkx s VAL 372 CO 0.03 -0.81 1.70 -0.65 0.00 0.00 0.00 175.10 175.36 2qkx h PRO 373 N 6.98 0.53 -1.11 2.72 0.11 -1.87 -0.19 132.00 139.17 2qkx h PRO 373 Ca -0.05 -0.21 0.29 0.00 0.11 0.00 0.00 66.00 66.14 2qkx h PRO 373 Cb 0.94 -0.03 -0.23 0.00 0.11 0.00 0.00 31.00 31.79 2qkx h PRO 373 CO 0.53 0.75 0.95 -3.38 -0.21 0.00 0.00 178.00 176.63 2qkx s HIS 374 N -4.49 -0.04 -1.17 0.65 -3.43 -1.26 -3.31 115.29 102.24 2qkx s HIS 374 Ca -0.07 0.04 -0.21 0.00 -0.80 0.00 0.00 55.06 54.02 2qkx s HIS 374 Cb 0.14 0.50 -0.00 0.00 -1.43 0.00 0.00 32.58 31.78 2qkx s HIS 374 CO 0.80 -0.05 0.75 1.28 -2.00 0.00 0.00 174.74 175.52 2qkx n LEU 375 N 0.19 -2.49 -3.74 5.38 4.77 -0.09 -4.89 117.00 116.12 2qkx n LEU 375 Ca 0.03 -1.05 -0.13 0.00 -0.03 0.00 0.00 56.01 54.83 2qkx n LEU 375 Cb 0.57 -2.29 -0.10 0.00 -2.33 0.00 0.00 43.42 39.27 2qkx n LEU 375 CO 0.08 0.51 0.05 -0.89 -1.33 0.00 0.00 177.39 175.81 2qkx s THR 376 N -3.52 0.00 -0.22 -5.08 2.01 -0.82 -4.97 115.64 103.04 2qkx s THR 376 Ca 0.44 -0.02 -0.09 0.00 0.31 0.00 0.00 61.69 62.33 2qkx s THR 376 Cb -0.17 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 2qkx s THR 376 CO 0.88 -0.01 0.10 -0.47 -0.69 0.00 0.00 174.62 174.43 2qkx s TYR 377 N 0.12 3.24 -0.28 4.92 5.04 -1.26 -1.40 117.35 127.74 2qkx s TYR 377 Ca -0.01 0.05 0.03 0.00 -2.44 0.00 0.00 57.07 54.70 2qkx s TYR 377 Cb -0.03 -2.19 0.07 0.00 0.35 0.00 0.00 41.96 40.17 2qkx s TYR 377 CO 0.01 0.02 -0.05 0.08 -1.34 0.00 0.00 175.55 174.27 2qkx s VAL 378 N 0.89 2.00 -0.06 3.14 1.01 -0.02 -4.99 120.40 122.36 2qkx s VAL 378 Ca 0.05 -1.72 0.05 0.00 0.00 0.00 0.00 61.98 60.36 2qkx s VAL 378 Cb -0.13 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 2qkx s VAL 378 CO 0.03 -0.22 -0.21 -0.83 0.00 0.00 0.00 175.10 173.87 2qkx s GLY 379 N 1.14 1.13 -1.45 4.51 0.00 -1.26 -1.03 107.32 110.35 2qkx s GLY 379 Ca -0.02 -0.84 -0.09 0.00 0.00 0.00 0.00 44.72 43.76 2qkx s GLY 379 CO -0.07 -0.39 0.92 1.22 0.00 0.00 0.00 173.10 174.78 2qkx n ASP 380 N 3.26 -3.81 -4.26 1.64 8.00 0.04 -4.96 116.55 116.45 2qkx n ASP 380 Ca -0.19 -0.77 -0.18 0.00 0.71 0.00 0.00 54.79 54.36 2qkx n ASP 380 Cb 0.52 -4.03 -0.11 0.00 -0.02 0.00 0.00 41.12 37.48 2qkx n ASP 380 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qkx s ALA 381 N -3.42 1.59 -0.17 2.24 0.00 -1.23 -4.99 121.76 115.79 2qkx s ALA 381 Ca 0.46 -1.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 2qkx s ALA 381 Cb -0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 2qkx s ALA 381 CO 0.82 0.09 -0.10 -0.51 0.00 0.00 0.00 175.76 176.06 2qkx s ASP 382 N -2.62 4.04 -0.08 0.00 1.01 -1.26 -2.00 116.67 115.75 2qkx s ASP 382 Ca 0.11 -0.38 0.04 0.00 0.71 0.00 0.00 52.55 53.03 2qkx s ASP 382 Cb -0.04 -1.65 -0.01 0.00 1.01 0.00 0.00 42.92 42.23 2qkx s ASP 382 CO 0.03 0.08 -0.20 -0.63 0.21 0.00 0.00 175.17 174.67 2qkx s ILE 383 N 0.84 2.49 1.18 0.77 1.01 -0.10 -5.00 121.20 122.38 2qkx s ILE 383 Ca -0.03 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.59 2qkx s ILE 383 Cb -0.15 -1.97 0.29 0.00 0.01 0.00 0.00 42.46 40.64 2qkx s ILE 383 CO 0.01 0.56 1.03 -0.83 0.00 0.00 0.00 174.94 175.70 2qkx s GLY 384 N -0.02 1.53 0.76 6.18 0.00 -1.26 -1.78 107.32 112.73 2qkx s GLY 384 Ca -0.06 -0.26 -0.12 0.00 0.00 0.00 0.00 44.72 44.28 2qkx s GLY 384 CO 0.05 0.49 1.12 -0.54 0.00 0.00 0.00 173.10 174.22 2qkx s GLU 385 N -4.57 2.16 -1.60 2.90 2.02 -1.26 -3.85 118.70 114.50 2qkx s GLU 385 Ca 0.68 1.38 -0.20 0.00 0.02 0.00 0.00 54.97 56.85 2qkx s GLU 385 Cb -0.23 -1.87 0.20 0.00 0.10 0.00 0.00 34.13 32.33 2qkx s GLU 385 CO 0.63 -1.74 0.51 0.66 0.02 0.00 0.00 175.26 175.34 2qkx n TYR 386 N -3.23 -1.14 -3.28 1.61 4.01 0.53 -4.86 117.16 110.80 2qkx n TYR 386 Ca 0.11 0.58 -0.16 0.00 -0.16 0.00 0.00 57.90 58.27 2qkx n TYR 386 Cb 0.52 -1.65 0.03 0.00 -0.31 0.00 0.00 39.34 37.93 2qkx n TYR 386 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2qkx n SER 387 N -2.15 1.77 -3.56 7.72 3.41 -1.25 -4.89 113.62 114.67 2qkx n SER 387 Ca 0.10 -2.19 -0.19 0.00 -0.26 0.00 0.00 58.87 56.32 2qkx n SER 387 Cb 0.42 -0.21 -0.14 0.00 -0.26 0.00 0.00 64.21 64.02 2qkx n SER 387 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2qkx s ASN 388 N -3.49 1.40 0.00 4.04 3.84 -1.26 -2.46 114.94 117.00 2qkx s ASN 388 Ca 0.36 -0.15 0.08 0.00 0.21 0.00 0.00 52.86 53.36 2qkx s ASN 388 Cb -0.03 0.23 0.06 0.00 -0.55 0.00 0.00 41.25 40.96 2qkx s ASN 388 CO 0.23 -0.31 0.74 -0.38 -2.79 0.00 0.00 177.10 174.60