#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkc s SER 20 N 0.00 3.91 0.54 4.31 0.15 -1.26 -4.80 113.70 116.54 1qkc s SER 20 Ca 0.00 -0.32 0.36 0.00 0.70 0.00 0.00 55.95 56.68 1qkc s SER 20 Cb 0.00 -1.40 1.54 0.00 -1.71 0.00 0.00 66.02 64.45 1qkc s SER 20 CO 0.00 0.21 1.82 0.00 1.20 0.00 0.00 173.24 176.47 1qkc h ALA 21 N 6.38 3.07 -0.57 5.45 0.00 -1.92 0.29 119.26 131.97 1qkc h ALA 21 Ca -0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1qkc h ALA 21 Cb 1.20 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1qkc h ALA 21 CO 0.53 -1.39 0.00 0.91 0.00 0.00 0.00 179.25 179.30 1qkc n TRP 22 N -4.20 1.18 -3.90 0.00 8.01 -1.26 -4.63 117.44 112.64 1qkc n TRP 22 Ca 0.24 -0.49 0.00 0.00 -1.31 0.00 0.00 57.50 55.94 1qkc n TRP 22 Cb 1.19 -0.17 0.00 0.00 -2.01 0.00 0.00 31.31 30.32 1qkc n TRP 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qkc n GLY 23 N 1.11 4.20 0.00 6.99 0.00 0.10 -4.86 105.19 112.73 1qkc n GLY 23 Ca 0.22 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1qkc n GLY 23 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qkc n PRO 24 N 0.00 2.84 0.00 1.61 -0.02 -1.26 -4.75 135.00 133.41 1qkc n PRO 24 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1qkc n PRO 24 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1qkc n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qkc n ALA 25 N -3.00 0.15 -0.07 3.55 0.00 -1.26 -4.63 120.51 115.25 1qkc n ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qkc n ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1qkc n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qkc n ALA 26 N 0.00 0.00 -2.31 0.00 0.00 -1.26 -4.67 120.51 112.27 1qkc n ALA 26 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1qkc n ALA 26 Cb 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.55 1qkc n ALA 26 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1qkc s THR 27 N 0.00 2.64 -1.81 0.00 -4.23 -1.26 -4.95 115.64 106.03 1qkc s THR 27 Ca 0.00 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1qkc s THR 27 Cb 0.00 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.83 1qkc s THR 27 CO 0.00 -0.02 0.33 2.30 -0.54 0.00 0.00 174.62 176.69 1qkc n ILE 28 N -1.44 0.00 -3.71 2.99 -6.64 -1.26 -4.24 119.36 105.06 1qkc n ILE 28 Ca 0.02 0.00 -0.37 0.00 -1.77 0.00 0.00 62.75 60.63 1qkc n ILE 28 Cb 0.62 -0.29 -0.10 0.00 -1.44 0.00 0.00 39.64 38.43 1qkc n ILE 28 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1qkc s ALA 29 N -1.81 3.41 -0.19 -1.28 0.00 -1.26 -4.73 121.76 115.91 1qkc s ALA 29 Ca 0.00 -2.90 -0.19 0.00 0.00 0.00 0.00 51.96 48.87 1qkc s ALA 29 Cb 0.00 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 1qkc s ALA 29 CO 0.00 -1.97 0.53 0.00 0.00 0.00 0.00 175.76 174.32 1qkc s ALA 30 N 0.57 3.53 -0.00 0.00 0.00 -1.26 -4.88 121.76 119.72 1qkc s ALA 30 Ca 0.12 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.78 1qkc s ALA 30 Cb -0.22 -2.82 -0.25 0.00 0.00 0.00 0.00 23.12 19.84 1qkc s ALA 30 CO -0.04 -0.39 0.83 0.00 0.00 0.00 0.00 175.76 176.16 1qkc h ARG 31 N 7.35 0.11 -5.30 0.00 3.08 -1.95 -3.45 114.38 114.22 1qkc h ARG 31 Ca -0.34 -0.19 -0.63 0.00 0.07 0.00 0.00 59.98 58.89 1qkc h ARG 31 Cb 1.16 0.07 -0.20 0.00 0.08 0.00 0.00 29.97 31.07 1qkc h ARG 31 CO 0.75 0.87 -0.64 -0.65 -1.07 0.00 0.00 179.97 179.23 1qkc s GLN 32 N -2.62 3.75 -0.04 0.04 -1.52 -1.26 0.92 119.66 118.92 1qkc s GLN 32 Ca -0.07 -0.48 -0.05 0.00 -1.95 0.00 0.00 55.36 52.82 1qkc s GLN 32 Cb 0.08 -2.99 0.01 0.00 -0.22 0.00 0.00 33.01 29.89 1qkc s GLN 32 CO 0.83 0.25 0.14 0.45 -0.25 0.00 0.00 175.29 176.71 1qkc s SER 33 N 0.35 -0.11 -0.01 5.90 0.15 -1.08 -4.17 113.70 114.75 1qkc s SER 33 Ca -0.02 0.18 0.15 0.00 0.70 0.00 0.00 55.95 56.95 1qkc s SER 33 Cb -0.14 0.27 -0.18 0.00 -1.71 0.00 0.00 66.02 64.26 1qkc s SER 33 CO 0.02 -0.11 0.53 0.00 1.20 0.00 0.00 173.24 174.88 1qkc n ALA 34 N 2.70 3.47 0.66 5.45 0.00 -1.26 -3.14 120.51 128.38 1qkc n ALA 34 Ca -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1qkc n ALA 34 Cb 0.58 -0.53 0.02 0.00 0.00 0.00 0.00 19.45 19.52 1qkc n ALA 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1qkc n THR 35 N -1.57 0.00 -0.02 0.00 -1.04 -1.26 -1.03 114.28 109.36 1qkc n THR 35 Ca 0.01 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.00 1qkc n THR 35 Cb 0.28 -0.36 -0.02 0.00 -1.82 0.00 0.00 70.33 68.41 1qkc n THR 35 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qkc n GLY 36 N -0.18 -0.09 0.00 3.41 0.00 -1.26 -4.82 105.19 102.25 1qkc n GLY 36 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1qkc n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qkc n THR 37 N -2.44 0.20 -0.83 2.61 -2.24 -1.20 -4.97 114.28 105.42 1qkc n THR 37 Ca -0.06 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1qkc n THR 37 Cb 0.58 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 1qkc n THR 37 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qkc n LYS 38 N -0.10 -0.14 -4.52 -0.78 4.76 -0.19 -4.94 118.16 112.24 1qkc n LYS 38 Ca 0.00 0.04 -0.22 0.00 -2.87 0.00 0.00 58.31 55.26 1qkc n LYS 38 Cb 0.22 -3.42 -0.14 0.00 -1.84 0.00 0.00 35.03 29.85 1qkc n LYS 38 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1qkc s THR 39 N -2.55 1.15 -0.08 -0.18 -4.23 -1.25 -4.99 115.64 103.51 1qkc s THR 39 Ca 0.00 -0.81 -0.32 0.00 -1.18 0.00 0.00 61.69 59.38 1qkc s THR 39 Cb 0.00 -1.00 -0.09 0.00 1.34 0.00 0.00 72.50 72.75 1qkc s THR 39 CO 0.00 0.17 2.00 -0.67 -0.54 0.00 0.00 174.62 175.58 1qkc n ASP 40 N 2.32 3.63 -3.70 3.99 -0.08 -1.26 -4.46 116.55 116.98 1qkc n ASP 40 Ca -0.16 0.78 -0.14 0.00 -1.51 0.00 0.00 54.79 53.75 1qkc n ASP 40 Cb 0.55 -1.46 -0.08 0.00 2.34 0.00 0.00 41.12 42.47 1qkc n ASP 40 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1qkc s THR 41 N 5.18 0.04 0.35 5.18 2.01 -1.19 -4.99 115.64 122.23 1qkc s THR 41 Ca 0.94 -0.35 -0.28 0.00 0.31 0.00 0.00 61.69 62.30 1qkc s THR 41 Cb -0.54 -0.71 -0.11 0.00 0.01 0.00 0.00 72.50 71.14 1qkc s THR 41 CO 0.45 -0.19 1.46 -2.65 -0.69 0.00 0.00 174.62 173.00 1qkc n PRO 42 N 1.19 2.55 0.31 4.92 -0.02 -1.26 -2.62 135.00 140.06 1qkc n PRO 42 Ca -0.21 0.90 0.17 0.00 -2.02 0.00 0.00 63.50 62.34 1qkc n PRO 42 Cb 0.56 -2.60 0.99 0.00 -0.02 0.00 0.00 33.50 32.43 1qkc n PRO 42 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1qkc h ILE 43 N 2.92 0.38 -0.03 4.25 3.07 0.23 0.14 117.51 128.48 1qkc h ILE 43 Ca -0.49 -0.03 -0.17 0.00 1.55 0.00 0.00 64.86 65.72 1qkc h ILE 43 Cb 1.25 1.02 -0.01 0.00 -0.27 0.00 0.00 36.82 38.81 1qkc h ILE 43 CO 0.66 0.01 -0.76 0.06 -1.05 0.00 0.00 178.15 177.07 1qkc h GLN 44 N 0.00 0.20 -0.01 0.16 -0.00 -1.88 -2.30 115.11 111.28 1qkc h GLN 44 Ca -0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 58.65 58.47 1qkc h GLN 44 Cb 0.02 0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.54 1qkc h GLN 44 CO 0.00 0.87 0.00 1.63 -0.00 0.00 0.00 178.83 181.33 1qkc n LYS 45 N -3.74 1.09 -3.60 0.06 5.02 0.46 -4.68 118.16 112.77 1qkc n LYS 45 Ca -0.03 -0.14 -0.38 0.00 -2.02 0.00 0.00 58.31 55.74 1qkc n LYS 45 Cb 0.73 -1.37 -0.11 0.00 -0.02 0.00 0.00 35.03 34.26 1qkc n LYS 45 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qkc s VAL 46 N -1.98 5.17 -2.00 -0.18 1.01 -0.87 -4.91 120.40 116.65 1qkc s VAL 46 Ca 0.35 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1qkc s VAL 46 Cb 0.16 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 33.04 1qkc s VAL 46 CO 0.27 0.20 0.40 -0.81 0.00 0.00 0.00 175.10 175.16 1qkc n PRO 47 N 5.05 0.38 -4.19 2.72 -0.04 -1.26 -4.81 135.00 132.85 1qkc n PRO 47 Ca -0.14 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.21 1qkc n PRO 47 Cb 0.51 -1.01 -0.10 0.00 -0.04 0.00 0.00 33.50 32.86 1qkc n PRO 47 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1qkc s GLN 48 N -2.00 0.96 -0.69 0.54 0.74 -1.26 -4.43 119.66 113.52 1qkc s GLN 48 Ca 0.00 -1.44 -0.26 0.00 0.05 0.00 0.00 55.36 53.72 1qkc s GLN 48 Cb 0.00 -0.14 -0.03 0.00 1.10 0.00 0.00 33.01 33.95 1qkc s GLN 48 CO 0.00 -0.12 1.87 -1.12 -0.55 0.00 0.00 175.29 175.38 1qkc s SER 49 N -3.10 5.26 -0.01 6.67 0.01 -1.26 -4.98 113.70 116.29 1qkc s SER 49 Ca 0.19 0.06 0.06 0.00 1.31 0.00 0.00 55.95 57.57 1qkc s SER 49 Cb 0.06 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 1qkc s SER 49 CO 0.00 -2.46 -0.19 -0.63 0.41 0.00 0.00 173.24 170.38 1qkc s ILE 50 N 9.24 2.68 -0.01 1.44 1.09 -1.26 -1.90 121.20 132.48 1qkc s ILE 50 Ca 0.67 -0.98 0.06 0.00 -1.10 0.00 0.00 60.65 59.30 1qkc s ILE 50 Cb -0.11 -2.04 -0.01 0.00 -1.06 0.00 0.00 42.46 39.23 1qkc s ILE 50 CO 0.15 0.51 -0.19 -0.44 -0.10 0.00 0.00 174.94 174.87 1qkc s SER 51 N -0.91 2.19 -0.08 3.58 0.01 -1.04 -5.04 113.70 112.41 1qkc s SER 51 Ca 0.12 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.05 1qkc s SER 51 Cb -0.10 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.90 1qkc s SER 51 CO 0.01 0.23 -0.09 -0.69 0.41 0.00 0.00 173.24 173.12 1qkc s VAL 52 N -0.43 0.97 -0.28 3.43 1.01 -1.26 -2.31 120.40 121.52 1qkc s VAL 52 Ca 0.07 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.62 1qkc s VAL 52 Cb -0.07 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1qkc s VAL 52 CO -0.01 0.34 0.17 -0.69 0.00 0.00 0.00 175.10 174.91 1qkc s VAL 53 N 1.15 5.05 0.78 2.92 1.01 -0.69 -4.82 120.40 125.81 1qkc s VAL 53 Ca -0.06 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1qkc s VAL 53 Cb -0.14 -3.43 0.06 0.00 0.00 0.00 0.00 36.38 32.87 1qkc s VAL 53 CO -0.02 0.23 1.10 0.42 0.00 0.00 0.00 175.10 176.83 1qkc s THR 54 N 1.72 3.12 0.29 3.92 -4.23 -1.26 -1.23 115.64 117.97 1qkc s THR 54 Ca 0.07 0.37 0.16 0.00 -1.18 0.00 0.00 61.69 61.10 1qkc s THR 54 Cb -0.16 -3.16 0.10 0.00 1.34 0.00 0.00 72.50 70.62 1qkc s THR 54 CO 0.09 -0.48 1.78 0.00 -0.54 0.00 0.00 174.62 175.47 1qkc h ALA 55 N -1.01 1.16 0.44 3.99 0.00 -1.83 -2.44 119.26 119.57 1qkc h ALA 55 Ca -0.47 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 1qkc h ALA 55 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1qkc h ALA 55 CO 0.60 0.50 -0.21 1.49 0.00 0.00 0.00 179.25 181.63 1qkc h GLU 56 N 0.00 -0.57 -0.93 0.00 4.81 -1.92 0.34 114.58 116.31 1qkc h GLU 56 Ca -0.00 0.04 0.19 0.00 -0.13 0.00 0.00 59.36 59.45 1qkc h GLU 56 Cb 0.79 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 30.22 1qkc h GLU 56 CO 0.05 -0.26 0.60 1.49 -0.73 0.00 0.00 179.01 180.16 1qkc h GLU 57 N -0.93 0.53 -0.09 1.92 4.81 -1.89 -1.59 114.58 117.34 1qkc h GLU 57 Ca -0.06 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1qkc h GLU 57 Cb 0.57 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1qkc h GLU 57 CO 0.10 0.35 -0.21 0.52 -0.73 0.00 0.00 179.01 179.04 1qkc h MET 58 N 0.54 0.30 -0.67 1.92 2.86 -1.33 -2.93 114.93 115.62 1qkc h MET 58 Ca 0.49 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1qkc h MET 58 Cb 1.03 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1qkc h MET 58 CO -0.23 0.81 0.00 0.00 1.06 0.00 0.00 176.91 178.55 1qkc n ALA 59 N -2.46 1.77 -0.03 6.32 0.00 0.10 -0.89 120.51 125.32 1qkc n ALA 59 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 1qkc n ALA 59 Cb 0.42 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.84 1qkc n ALA 59 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1qkc n LEU 60 N 0.35 1.13 -0.02 0.00 7.94 -1.10 -4.70 117.00 120.61 1qkc n LEU 60 Ca 0.00 -0.01 0.05 0.00 -1.11 0.00 0.00 56.01 54.93 1qkc n LEU 60 Cb 0.14 -0.01 -0.05 0.00 0.53 0.00 0.00 43.42 44.03 1qkc n LEU 60 CO 0.00 0.31 -0.00 1.41 -1.11 0.00 0.00 177.39 177.99 1qkc n HIS 61 N -2.37 0.00 -3.62 1.96 8.25 -0.80 -4.94 115.22 113.70 1qkc n HIS 61 Ca -0.09 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.12 1qkc n HIS 61 Cb 0.65 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.80 1qkc n HIS 61 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1qkc n GLN 62 N -1.15 -2.59 -1.09 -0.41 1.13 -0.07 -4.89 117.38 108.31 1qkc n GLN 62 Ca 0.02 0.58 -0.34 0.00 -1.94 0.00 0.00 57.00 55.32 1qkc n GLN 62 Cb 0.16 -4.79 0.10 0.00 0.11 0.00 0.00 30.24 25.82 1qkc n GLN 62 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 1qkc n PRO 63 N -4.03 0.11 -0.05 -1.09 -0.02 -1.25 -4.91 135.00 123.76 1qkc n PRO 63 Ca -0.16 0.09 -0.14 0.00 -2.02 0.00 0.00 63.50 61.28 1qkc n PRO 63 Cb 0.63 -2.04 -0.14 0.00 -0.02 0.00 0.00 33.50 31.93 1qkc n PRO 63 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1qkc n LYS 64 N -1.82 0.68 -4.14 -0.52 4.81 -1.26 -4.87 118.16 111.04 1qkc n LYS 64 Ca 0.10 0.21 -0.09 0.00 -0.87 0.00 0.00 58.31 57.65 1qkc n LYS 64 Cb 0.51 -1.68 -0.10 0.00 0.02 0.00 0.00 35.03 33.78 1qkc n LYS 64 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1qkc s SER 65 N -6.28 0.65 0.55 3.14 1.04 -1.26 -4.65 113.70 106.89 1qkc s SER 65 Ca -0.15 -1.09 0.25 0.00 0.48 0.00 0.00 55.95 55.44 1qkc s SER 65 Cb 0.07 0.20 1.46 0.00 0.10 0.00 0.00 66.02 67.85 1qkc s SER 65 CO 0.78 -0.61 2.06 0.58 0.98 0.00 0.00 173.24 177.03 1qkc h VAL 66 N 2.97 0.69 0.00 5.02 2.07 -1.93 -1.25 116.25 123.81 1qkc h VAL 66 Ca -0.35 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1qkc h VAL 66 Cb 1.17 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1qkc h VAL 66 CO 0.63 0.00 0.00 1.17 0.02 0.00 0.00 177.57 179.39 1qkc n LYS 67 N -4.20 0.00 -0.37 1.57 4.81 -1.26 -2.46 118.16 116.25 1qkc n LYS 67 Ca 0.04 0.44 0.36 0.00 -0.87 0.00 0.00 58.31 58.28 1qkc n LYS 67 Cb 0.41 -1.42 0.73 0.00 0.02 0.00 0.00 35.03 34.77 1qkc n LYS 67 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1qkc h GLU 68 N 0.00 0.04 0.00 1.64 5.08 -1.79 0.44 114.58 119.99 1qkc h GLU 68 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qkc h GLU 68 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1qkc h GLU 68 CO 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 178.04 1qkc n ALA 69 N -2.75 1.72 -3.82 3.43 0.00 -0.52 -3.80 120.51 114.78 1qkc n ALA 69 Ca 0.28 -0.05 -0.28 0.00 0.00 0.00 0.00 53.44 53.39 1qkc n ALA 69 Cb 1.29 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 19.49 1qkc n ALA 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qkc s LEU 70 N -2.17 4.05 0.00 0.00 1.43 0.15 -4.76 118.68 117.38 1qkc s LEU 70 Ca 0.11 -3.47 0.00 0.00 -1.03 0.00 0.00 54.13 49.74 1qkc s LEU 70 Cb 0.05 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.86 1qkc s LEU 70 CO 0.10 -0.14 0.00 -1.20 0.23 0.00 0.00 176.35 175.34 1qkc n SER 71 N 2.46 2.72 -1.72 2.29 7.64 -1.25 -4.63 113.62 121.12 1qkc n SER 71 Ca 0.17 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 60.02 1qkc n SER 71 Cb 0.36 0.52 0.29 0.00 -1.01 0.00 0.00 64.21 64.36 1qkc n SER 71 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1qkc n TYR 72 N -0.86 2.06 -3.89 1.43 4.01 -1.26 -4.74 117.16 113.90 1qkc n TYR 72 Ca 0.00 -1.21 -0.35 0.00 -0.16 0.00 0.00 57.90 56.18 1qkc n TYR 72 Cb 0.03 -0.61 -0.14 0.00 -0.31 0.00 0.00 39.34 38.31 1qkc n TYR 72 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1qkc s THR 73 N -3.01 3.16 0.35 -0.72 -4.23 -1.26 -4.60 115.64 105.33 1qkc s THR 73 Ca 0.52 -1.08 -0.28 0.00 -1.18 0.00 0.00 61.69 59.66 1qkc s THR 73 Cb 0.42 -2.69 -0.12 0.00 1.34 0.00 0.00 72.50 71.46 1qkc s THR 73 CO 0.11 0.06 1.45 -0.81 -0.54 0.00 0.00 174.62 174.89 1qkc n PRO 74 N 4.70 2.52 -0.59 3.99 -0.04 -1.26 -3.06 135.00 141.26 1qkc n PRO 74 Ca -0.15 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 1qkc n PRO 74 Cb 0.46 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1qkc n PRO 74 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qkc n GLY 75 N 0.82 0.70 2.89 0.55 0.00 -1.26 -4.97 105.19 103.91 1qkc n GLY 75 Ca 0.03 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 1qkc n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qkc s VAL 76 N -2.00 0.40 0.32 1.61 1.01 -1.17 -1.07 120.40 119.49 1qkc s VAL 76 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1qkc s VAL 76 Cb 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 1qkc s VAL 76 CO 0.00 0.17 0.41 -0.55 0.00 0.00 0.00 175.10 175.14 1qkc s SER 77 N 0.67 5.91 0.00 3.32 0.15 -0.98 -4.93 113.70 117.84 1qkc s SER 77 Ca -0.08 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1qkc s SER 77 Cb -0.11 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 1qkc s SER 77 CO -0.00 -0.34 0.00 1.33 1.20 0.00 0.00 173.24 175.42 1qkc n VAL 78 N -1.54 0.00 -0.68 4.45 0.24 -1.26 -3.81 118.33 115.73 1qkc n VAL 78 Ca -0.02 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.36 1qkc n VAL 78 Cb 0.58 1.06 0.37 0.00 -1.47 0.00 0.00 33.84 34.38 1qkc n VAL 78 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qkc n GLY 79 N 0.00 2.78 0.00 7.63 0.00 -1.26 -4.42 105.19 109.92 1qkc n GLY 79 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1qkc n GLY 79 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qkc n THR 80 N 0.87 0.00 -2.05 2.61 -1.04 -1.26 -1.15 114.28 112.25 1qkc n THR 80 Ca 0.26 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.25 1qkc n THR 80 Cb 1.02 -0.66 -0.02 0.00 -1.82 0.00 0.00 70.33 68.85 1qkc n THR 80 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1qkc n ARG 81 N -0.67 0.00 0.00 -2.82 3.00 -1.26 -4.99 116.66 109.92 1qkc n ARG 81 Ca 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 57.85 57.19 1qkc n ARG 81 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 32.46 32.53 1qkc n ARG 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1qkc n GLY 82 N 0.05 2.37 0.00 5.14 0.00 -0.30 -1.73 105.19 110.72 1qkc n GLY 82 Ca -0.07 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.74 1qkc n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qkc n ALA 83 N 7.63 2.07 -1.77 4.61 0.00 -0.99 -4.78 120.51 127.28 1qkc n ALA 83 Ca 0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 53.44 52.96 1qkc n ALA 83 Cb 0.00 -1.29 -0.06 0.00 0.00 0.00 0.00 19.45 18.10 1qkc n ALA 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qkc s SER 84 N -2.25 7.37 -0.02 0.00 0.15 -0.71 -4.93 113.70 113.32 1qkc s SER 84 Ca 0.23 1.96 0.03 0.00 0.70 0.00 0.00 55.95 58.86 1qkc s SER 84 Cb 0.12 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.88 1qkc s SER 84 CO 0.23 -0.05 1.03 0.59 1.20 0.00 0.00 173.24 176.24 1qkc n ASN 85 N 0.88 2.07 -0.34 5.45 3.02 -1.26 -4.76 115.26 120.32 1qkc n ASN 85 Ca 0.01 -2.13 0.20 0.00 -0.03 0.00 0.00 54.58 52.62 1qkc n ASN 85 Cb 0.48 -0.06 0.43 0.00 -0.61 0.00 0.00 39.78 40.02 1qkc n ASN 85 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1qkc h THR 86 N 0.06 0.50 -3.97 3.41 2.02 -1.83 -3.41 112.91 109.69 1qkc h THR 86 Ca 0.00 -0.17 -0.35 0.00 0.77 0.00 0.00 66.41 66.66 1qkc h THR 86 Cb 0.57 -0.04 -0.23 0.00 -1.74 0.00 0.00 68.15 66.71 1qkc h THR 86 CO 0.00 0.09 -0.76 -0.31 0.37 0.00 0.00 175.52 174.91 1qkc s TYR 87 N -5.68 0.91 -0.90 3.16 2.02 -1.26 -4.95 117.35 110.65 1qkc s TYR 87 Ca -0.10 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.15 1qkc s TYR 87 Cb 0.27 -0.53 0.14 0.00 -0.40 0.00 0.00 41.96 41.43 1qkc s TYR 87 CO 0.80 -0.01 2.46 -0.25 -1.57 0.00 0.00 175.55 176.97 1qkc n ASP 88 N 1.67 7.29 -4.66 2.29 8.00 -1.26 -4.89 116.55 124.98 1qkc n ASP 88 Ca -0.20 -3.28 -0.42 0.00 0.71 0.00 0.00 54.79 51.59 1qkc n ASP 88 Cb 0.55 -1.26 -0.03 0.00 -0.02 0.00 0.00 41.12 40.35 1qkc n ASP 88 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1qkc s HIS 89 N -1.96 3.39 0.21 1.24 5.65 -1.26 -4.84 115.29 117.72 1qkc s HIS 89 Ca 0.54 1.33 0.11 0.00 0.25 0.00 0.00 55.06 57.30 1qkc s HIS 89 Cb 0.29 -3.12 -0.04 0.00 -1.18 0.00 0.00 32.58 28.53 1qkc s HIS 89 CO -0.18 -0.34 -0.19 -0.51 -0.65 0.00 0.00 174.74 172.88 1qkc s LEU 90 N 2.57 2.63 -0.42 8.88 1.43 -1.26 -4.82 118.68 127.69 1qkc s LEU 90 Ca 0.40 -0.83 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1qkc s LEU 90 Cb -0.16 -1.29 0.11 0.00 0.03 0.00 0.00 46.19 44.88 1qkc s LEU 90 CO 0.10 0.09 0.18 -0.63 0.23 0.00 0.00 176.35 176.32 1qkc s ILE 91 N -1.89 2.87 -0.25 -0.59 1.01 -1.25 -4.71 121.20 116.39 1qkc s ILE 91 Ca 0.24 -2.41 -0.19 0.00 0.00 0.00 0.00 60.65 58.29 1qkc s ILE 91 Cb -0.07 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 1qkc s ILE 91 CO 0.13 -0.69 0.54 -0.63 0.00 0.00 0.00 174.94 174.29 1qkc s ILE 92 N 0.75 5.06 -1.79 2.92 1.01 -0.79 -2.33 121.20 126.03 1qkc s ILE 92 Ca 0.11 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1qkc s ILE 92 Cb -0.21 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1qkc s ILE 92 CO -0.05 0.09 0.00 -1.14 0.00 0.00 0.00 174.94 173.84 1qkc n ARG 93 N 5.46 -1.66 -0.96 2.79 3.00 -0.24 -1.85 116.66 123.21 1qkc n ARG 93 Ca -0.03 1.01 0.00 0.00 -0.00 0.00 0.00 57.85 58.83 1qkc n ARG 93 Cb 0.50 -5.67 0.00 0.00 0.00 0.00 0.00 32.46 27.29 1qkc n ARG 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1qkc n GLY 94 N -1.01 0.53 3.39 5.14 0.00 -1.26 -4.93 105.19 107.04 1qkc n GLY 94 Ca -0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 1qkc n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qkc s PHE 95 N -2.33 1.96 0.21 1.61 0.08 -0.77 -5.01 117.98 113.72 1qkc s PHE 95 Ca 0.00 -0.46 -0.23 0.00 0.12 0.00 0.00 56.93 56.37 1qkc s PHE 95 Cb 0.00 -0.90 0.05 0.00 -0.57 0.00 0.00 43.02 41.59 1qkc s PHE 95 CO 0.00 0.48 0.70 0.00 -0.10 0.00 0.00 175.22 176.29 1qkc s ALA 96 N -2.53 -1.44 0.80 5.36 0.00 -1.26 -1.89 121.76 120.80 1qkc s ALA 96 Ca 0.23 0.13 -0.14 0.00 0.00 0.00 0.00 51.96 52.18 1qkc s ALA 96 Cb -0.04 0.83 0.04 0.00 0.00 0.00 0.00 23.12 23.95 1qkc s ALA 96 CO 0.10 -0.91 0.91 0.00 0.00 0.00 0.00 175.76 175.86 1qkc n ALA 97 N -0.42 -0.77 -1.77 0.00 0.00 -1.26 -4.87 120.51 111.42 1qkc n ALA 97 Ca -0.10 -0.34 -0.38 0.00 0.00 0.00 0.00 53.44 52.62 1qkc n ALA 97 Cb 0.62 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.94 1qkc n ALA 97 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1qkc s GLU 98 N -3.68 4.38 -0.89 0.00 0.41 -1.26 -3.97 118.70 113.70 1qkc s GLU 98 Ca 0.69 1.62 -0.05 0.00 -0.41 0.00 0.00 54.97 56.83 1qkc s GLU 98 Cb -0.30 -2.83 0.01 0.00 -1.78 0.00 0.00 34.13 29.23 1qkc s GLU 98 CO 0.55 0.03 0.61 0.41 -0.49 0.00 0.00 175.26 176.37 1qkc n GLY 99 N 0.73 -0.00 2.33 -1.39 0.00 -1.26 -3.55 105.19 102.05 1qkc n GLY 99 Ca 0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1qkc n GLY 99 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qkc n GLN 100 N -3.11 -2.10 -2.75 1.61 1.13 -1.25 -4.89 117.38 106.02 1qkc n GLN 100 Ca -0.02 0.56 -0.24 0.00 -1.94 0.00 0.00 57.00 55.36 1qkc n GLN 100 Cb 0.55 -5.07 0.02 0.00 0.11 0.00 0.00 30.24 25.85 1qkc n GLN 100 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1qkc s SER 101 N -2.01 5.69 0.44 1.08 1.04 -1.23 -5.04 113.70 113.67 1qkc s SER 101 Ca 0.00 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.84 1qkc s SER 101 Cb 0.00 -1.53 0.00 0.00 0.10 0.00 0.00 66.02 64.59 1qkc s SER 101 CO 0.00 -0.87 0.00 0.00 0.98 0.00 0.00 173.24 173.35 1qkc n GLN 102 N -2.28 0.69 -2.70 4.02 6.02 -1.26 -4.32 117.38 117.55 1qkc n GLN 102 Ca 0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.96 1qkc n GLN 102 Cb 0.58 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.93 1qkc n GLN 102 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1qkc n ASN 103 N -1.51 -1.89 -4.56 1.08 5.15 -1.26 -4.69 115.26 107.57 1qkc n ASN 103 Ca 0.00 -2.79 -0.34 0.00 -0.60 0.00 0.00 54.58 50.86 1qkc n ASN 103 Cb 0.00 1.51 -0.12 0.00 -0.53 0.00 0.00 39.78 40.65 1qkc n ASN 103 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1qkc s ASN 104 N -0.83 4.56 0.08 1.20 0.01 -1.26 -3.21 114.94 115.49 1qkc s ASN 104 Ca 0.23 -0.06 0.09 0.00 -0.71 0.00 0.00 52.86 52.41 1qkc s ASN 104 Cb 0.28 -1.20 -0.03 0.00 0.41 0.00 0.00 41.25 40.71 1qkc s ASN 104 CO -0.13 0.34 -0.24 -0.31 -1.51 0.00 0.00 177.10 175.25 1qkc s TYR 105 N -0.67 2.39 -0.27 2.20 1.51 0.27 -1.55 117.35 121.23 1qkc s TYR 105 Ca 0.10 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 55.79 1qkc s TYR 105 Cb -0.11 -1.36 0.08 0.00 -0.11 0.00 0.00 41.96 40.46 1qkc s TYR 105 CO 0.02 0.24 0.07 -1.17 -1.11 0.00 0.00 175.55 173.59 1qkc s LEU 106 N -1.61 1.82 -0.74 -1.29 2.96 -0.45 -0.32 118.68 119.05 1qkc s LEU 106 Ca 0.14 -1.32 -0.04 0.00 -0.22 0.00 0.00 54.13 52.69 1qkc s LEU 106 Cb -0.10 -0.77 -0.05 0.00 0.50 0.00 0.00 46.19 45.77 1qkc s LEU 106 CO 0.05 -0.37 0.65 0.59 -1.32 0.00 0.00 176.35 175.95 1qkc n ASN 107 N 4.92 -5.33 -0.42 3.68 4.13 -0.43 -3.32 115.26 118.49 1qkc n ASN 107 Ca -0.05 -0.49 -0.05 0.00 1.68 0.00 0.00 54.58 55.67 1qkc n ASN 107 Cb 0.44 -3.86 -0.02 0.00 -1.54 0.00 0.00 39.78 34.80 1qkc n ASN 107 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qkc n GLY 108 N -1.32 0.51 3.10 7.41 0.00 -1.26 -4.92 105.19 108.71 1qkc n GLY 108 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 1qkc n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qkc s LEU 109 N -1.24 2.05 0.10 0.99 1.43 -1.21 -4.94 118.68 115.85 1qkc s LEU 109 Ca 0.00 -0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 1qkc s LEU 109 Cb 0.00 -0.66 -0.07 0.00 0.03 0.00 0.00 46.19 45.49 1qkc s LEU 109 CO 0.00 0.14 0.59 -0.75 0.23 0.00 0.00 176.35 176.56 1qkc s LYS 110 N -0.43 4.21 -1.29 1.70 2.20 -1.26 -1.34 119.74 123.52 1qkc s LYS 110 Ca 0.04 0.75 -0.10 0.00 -0.36 0.00 0.00 55.97 56.31 1qkc s LYS 110 Cb -0.05 -3.19 0.15 0.00 -1.51 0.00 0.00 37.83 33.23 1qkc s LYS 110 CO -0.00 0.61 1.88 1.28 -0.36 0.00 0.00 175.35 178.75 1qkc n LEU 111 N 1.56 6.56 -4.69 5.43 4.77 -0.60 -4.92 117.00 125.12 1qkc n LEU 111 Ca -0.09 -4.58 -0.42 0.00 -0.03 0.00 0.00 56.01 50.89 1qkc n LEU 111 Cb 0.51 -1.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.06 1qkc n LEU 111 CO 0.42 1.30 1.15 -1.58 -1.33 0.00 0.00 177.39 177.34 1qkc s GLN 112 N 0.77 4.27 0.00 3.23 2.00 -1.26 -4.69 119.66 123.97 1qkc s GLN 112 Ca 0.41 2.02 0.00 0.00 -2.00 0.00 0.00 55.36 55.78 1qkc s GLN 112 Cb 0.09 -3.58 0.00 0.00 0.80 0.00 0.00 33.01 30.33 1qkc s GLN 112 CO -0.00 -0.60 0.00 0.41 -0.50 0.00 0.00 175.29 174.60 1qkc n GLY 113 N 3.69 5.70 3.65 2.59 0.00 -1.26 -4.91 105.19 114.66 1qkc n GLY 113 Ca 0.13 -2.00 -0.03 0.00 0.00 0.00 0.00 46.02 44.13 1qkc n GLY 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qkc s ASN 114 N -0.02 -0.12 0.82 1.61 3.84 0.03 -4.97 114.94 116.13 1qkc s ASN 114 Ca 0.00 0.22 0.00 0.00 0.21 0.00 0.00 52.86 53.29 1qkc s ASN 114 Cb 0.00 0.40 0.00 0.00 -0.55 0.00 0.00 41.25 41.10 1qkc s ASN 114 CO 0.00 -0.04 0.00 0.33 -2.79 0.00 0.00 177.10 174.60 1qkc n PHE 115 N 2.00 0.00 0.44 0.43 7.35 -1.26 -0.91 117.46 125.51 1qkc n PHE 115 Ca -0.12 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.57 1qkc n PHE 115 Cb 0.57 0.07 0.00 0.00 0.35 0.00 0.00 39.48 40.47 1qkc n PHE 115 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1qkc n TYR 116 N 4.49 0.00 -3.64 -5.13 4.01 -1.26 -4.34 117.16 111.30 1qkc n TYR 116 Ca 0.00 -0.01 -0.33 0.00 -0.16 0.00 0.00 57.90 57.40 1qkc n TYR 116 Cb 0.00 -0.05 -0.08 0.00 -0.31 0.00 0.00 39.34 38.91 1qkc n TYR 116 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1qkc n ASN 117 N 0.29 3.99 -4.17 7.72 5.15 -0.08 -4.86 115.26 123.31 1qkc n ASN 117 Ca 0.00 -3.21 -0.27 0.00 -0.60 0.00 0.00 54.58 50.50 1qkc n ASN 117 Cb 0.11 -0.94 -0.16 0.00 -0.53 0.00 0.00 39.78 38.26 1qkc n ASN 117 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1qkc s ASP 118 N -0.90 2.33 0.38 1.20 1.01 -1.26 -0.79 116.67 118.64 1qkc s ASP 118 Ca 0.29 -0.38 0.03 0.00 0.71 0.00 0.00 52.55 53.20 1qkc s ASP 118 Cb -0.03 -0.58 -0.01 0.00 1.01 0.00 0.00 42.92 43.32 1qkc s ASP 118 CO -0.11 0.18 0.56 0.00 0.21 0.00 0.00 175.17 176.01 1qkc s ALA 119 N -0.08 3.94 0.01 5.23 0.00 -1.26 -5.03 121.76 124.56 1qkc s ALA 119 Ca -0.02 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 1qkc s ALA 119 Cb -0.11 -1.93 -0.00 0.00 0.00 0.00 0.00 23.12 21.07 1qkc s ALA 119 CO 0.02 -0.16 0.12 0.14 0.00 0.00 0.00 175.76 175.87 1qkc s VAL 120 N -2.34 0.09 -0.05 0.00 -7.23 -1.26 -4.82 120.40 104.78 1qkc s VAL 120 Ca 0.45 -0.73 0.04 0.00 -1.81 0.00 0.00 61.98 59.94 1qkc s VAL 120 Cb -0.10 -0.43 -0.02 0.00 0.56 0.00 0.00 36.38 36.39 1qkc s VAL 120 CO 0.34 -0.40 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.93 1qkc s ILE 121 N -1.44 2.80 0.34 -0.62 -1.09 -1.26 -5.07 121.20 114.86 1qkc s ILE 121 Ca -0.15 -0.81 -0.28 0.00 -2.23 0.00 0.00 60.65 57.18 1qkc s ILE 121 Cb -0.08 -2.08 -0.10 0.00 -1.58 0.00 0.00 42.46 38.62 1qkc s ILE 121 CO 0.01 0.58 1.26 -0.62 -1.23 0.00 0.00 174.94 174.95 1qkc s ASP 122 N -0.54 6.78 0.56 3.58 -1.08 -1.26 -4.49 116.67 120.23 1qkc s ASP 122 Ca 0.07 2.60 0.24 0.00 -0.52 0.00 0.00 52.55 54.94 1qkc s ASP 122 Cb -0.11 -2.64 1.53 0.00 -1.46 0.00 0.00 42.92 40.24 1qkc s ASP 122 CO 0.01 -0.52 2.14 -0.65 0.52 0.00 0.00 175.17 176.67 1qkc h PRO 123 N 3.32 0.00 0.00 4.34 0.11 -1.89 -1.47 132.00 136.41 1qkc h PRO 123 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qkc h PRO 123 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1qkc h PRO 123 CO 0.65 0.00 0.00 0.98 -0.21 0.00 0.00 178.00 179.42 1qkc n TYR 124 N -4.14 0.00 0.35 0.65 9.36 -1.26 -1.21 117.16 120.91 1qkc n TYR 124 Ca 0.00 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.28 1qkc n TYR 124 Cb 0.24 -0.30 0.07 0.00 -0.63 0.00 0.00 39.34 38.72 1qkc n TYR 124 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 1qkc n MET 125 N -1.30 1.07 -3.67 2.98 0.00 -0.55 -4.91 117.12 110.74 1qkc n MET 125 Ca 0.08 -1.37 -0.34 0.00 0.00 0.00 0.00 57.70 56.07 1qkc n MET 125 Cb 0.14 -1.23 -0.05 0.00 0.00 0.00 0.00 33.22 32.07 1qkc n MET 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1qkc s LEU 126 N -0.97 4.34 -0.10 4.03 1.43 -0.35 -1.74 118.68 125.32 1qkc s LEU 126 Ca 0.16 0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 53.83 1qkc s LEU 126 Cb 0.10 -2.91 -0.27 0.00 0.03 0.00 0.00 46.19 43.13 1qkc s LEU 126 CO 0.15 0.18 0.44 -0.08 0.23 0.00 0.00 176.35 177.28 1qkc h GLU 127 N 3.67 0.30 -2.27 1.70 4.57 0.44 -3.44 114.58 119.54 1qkc h GLU 127 Ca -0.49 -0.51 -0.00 0.00 -1.18 0.00 0.00 59.36 57.19 1qkc h GLU 127 Cb 1.19 0.19 -0.17 0.00 -0.16 0.00 0.00 28.75 29.80 1qkc h GLU 127 CO 0.67 1.24 0.30 -0.98 -1.18 0.00 0.00 179.01 179.06 1qkc s ARG 128 N -2.56 1.02 -0.16 1.92 1.70 -1.24 -2.60 118.95 117.03 1qkc s ARG 128 Ca -0.21 -0.06 0.00 0.00 -0.47 0.00 0.00 55.73 54.99 1qkc s ARG 128 Cb 0.06 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.92 1qkc s ARG 128 CO 0.79 -0.38 -0.16 0.00 -1.08 0.00 0.00 175.30 174.47 1qkc s ALA 129 N -2.24 2.46 0.07 7.88 0.00 -0.36 -1.87 121.76 127.70 1qkc s ALA 129 Ca -0.04 -1.07 0.07 0.00 0.00 0.00 0.00 51.96 50.92 1qkc s ALA 129 Cb -0.01 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 1qkc s ALA 129 CO -0.01 -0.07 -0.14 -1.21 0.00 0.00 0.00 175.76 174.32 1qkc s GLU 130 N 0.88 2.08 -0.08 0.00 2.02 0.13 -1.70 118.70 122.03 1qkc s GLU 130 Ca -0.04 -1.01 0.01 0.00 0.02 0.00 0.00 54.97 53.95 1qkc s GLU 130 Cb -0.15 -2.24 0.02 0.00 0.10 0.00 0.00 34.13 31.85 1qkc s GLU 130 CO -0.02 0.52 -0.09 0.42 0.02 0.00 0.00 175.26 176.12 1qkc s ILE 131 N -1.07 0.97 -0.27 -1.63 1.01 -0.98 -0.63 121.20 118.60 1qkc s ILE 131 Ca 0.18 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.45 1qkc s ILE 131 Cb -0.11 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.42 1qkc s ILE 131 CO 0.09 0.34 0.03 -0.32 0.00 0.00 0.00 174.94 175.07 1qkc s MET 132 N 1.14 3.07 0.07 2.79 1.75 -0.54 -2.51 119.30 125.07 1qkc s MET 132 Ca -0.06 -0.85 -0.20 0.00 -1.25 0.00 0.00 55.69 53.32 1qkc s MET 132 Cb -0.14 -3.22 -0.07 0.00 2.84 0.00 0.00 34.83 34.24 1qkc s MET 132 CO -0.02 -0.40 0.60 1.03 -0.65 0.00 0.00 175.02 175.59 1qkc s ARG 133 N 1.45 4.26 0.00 4.11 0.52 -0.80 -1.59 118.95 126.91 1qkc s ARG 133 Ca 0.02 0.79 0.00 0.00 -0.52 0.00 0.00 55.73 56.02 1qkc s ARG 133 Cb -0.17 -3.26 0.00 0.00 0.52 0.00 0.00 34.95 32.05 1qkc s ARG 133 CO -0.00 0.59 0.00 0.41 0.02 0.00 0.00 175.30 176.32 1qkc n GLY 134 N 1.82 0.65 3.71 -3.53 0.00 -1.26 -4.32 105.19 102.27 1qkc n GLY 134 Ca -0.09 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 1qkc n GLY 134 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qkc n PRO 135 N 0.59 2.32 0.00 1.61 -0.02 -1.26 -2.03 135.00 136.21 1qkc n PRO 135 Ca 0.00 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1qkc n PRO 135 Cb 0.00 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 1qkc n PRO 135 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1qkc n VAL 136 N 1.54 0.12 0.26 -1.45 0.24 -1.26 -4.73 118.33 113.05 1qkc n VAL 136 Ca 0.08 -0.40 0.15 0.00 -2.04 0.00 0.00 64.34 62.13 1qkc n VAL 136 Cb 0.35 1.20 0.87 0.00 -1.47 0.00 0.00 33.84 34.79 1qkc n VAL 136 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1qkc h SER 137 N 0.00 0.00 -0.42 -1.34 0.02 -1.71 -2.09 113.55 108.01 1qkc h SER 137 Ca 0.00 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.07 1qkc h SER 137 Cb 0.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1qkc h SER 137 CO 0.00 0.00 0.47 1.62 -1.14 0.00 0.00 176.83 177.78 1qkc h VAL 138 N 0.00 0.35 0.00 2.27 3.04 -1.85 -2.37 116.25 117.70 1qkc h VAL 138 Ca 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 1qkc h VAL 138 Cb 0.15 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 30.06 1qkc h VAL 138 CO -0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.74 1qkc n LEU 139 N -3.67 0.16 0.00 3.16 4.77 -0.83 -4.14 117.00 116.45 1qkc n LEU 139 Ca 0.08 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1qkc n LEU 139 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1qkc n LEU 139 CO 0.27 0.04 -0.10 -1.22 -1.33 0.00 0.00 177.39 175.05 1qkc n TYR 140 N -0.31 0.00 0.00 -1.77 4.01 -0.94 -5.04 117.16 113.10 1qkc n TYR 140 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1qkc n TYR 140 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1qkc n TYR 140 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qkc n GLY 141 N 1.08 -1.21 3.66 2.72 0.00 -0.92 -4.94 105.19 105.59 1qkc n GLY 141 Ca 0.00 -1.94 -0.46 0.00 0.00 0.00 0.00 46.02 43.62 1qkc n GLY 141 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qkc n LYS 142 N 0.00 2.09 -3.55 1.61 2.85 -1.26 -4.12 118.16 115.79 1qkc n LYS 142 Ca 0.00 0.75 -0.17 0.00 -1.05 0.00 0.00 58.31 57.85 1qkc n LYS 142 Cb 0.00 -2.51 -0.06 0.00 -0.65 0.00 0.00 35.03 31.81 1qkc n LYS 142 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1qkc s SER 143 N 0.85 -0.66 0.43 -5.58 0.15 0.95 -4.97 113.70 104.88 1qkc s SER 143 Ca 0.79 0.85 -0.24 0.00 0.70 0.00 0.00 55.95 58.05 1qkc s SER 143 Cb -0.69 0.72 -0.10 0.00 -1.71 0.00 0.00 66.02 64.24 1qkc s SER 143 CO 0.39 -0.51 1.10 -0.24 1.20 0.00 0.00 173.24 175.18 1qkc n SER 144 N 1.29 1.70 -4.66 5.45 2.88 -1.26 -3.96 113.62 115.05 1qkc n SER 144 Ca -0.17 1.05 -0.46 0.00 -1.33 0.00 0.00 58.87 57.96 1qkc n SER 144 Cb 0.57 -1.41 -0.03 0.00 -0.75 0.00 0.00 64.21 62.58 1qkc n SER 144 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1qkc n PRO 145 N 0.03 1.98 -3.21 -1.46 -0.02 -1.26 -3.82 135.00 127.24 1qkc n PRO 145 Ca 0.09 0.71 -0.07 0.00 -2.02 0.00 0.00 63.50 62.20 1qkc n PRO 145 Cb 0.40 -2.40 0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1qkc n PRO 145 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qkc n GLY 146 N 2.63 -0.27 0.00 -1.23 0.00 -1.20 -4.73 105.19 100.40 1qkc n GLY 146 Ca 0.14 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1qkc n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qkc n GLY 147 N 0.96 1.54 3.10 -0.02 0.00 -0.86 -4.07 105.19 105.84 1qkc n GLY 147 Ca -0.01 0.35 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 1qkc n GLY 147 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qkc s LEU 148 N 0.00 1.42 -0.07 0.99 0.20 -0.62 -4.67 118.68 115.92 1qkc s LEU 148 Ca 0.00 0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.89 1qkc s LEU 148 Cb 0.00 0.69 0.00 0.00 -0.43 0.00 0.00 46.19 46.45 1qkc s LEU 148 CO 0.00 -0.26 -0.20 -0.22 -0.29 0.00 0.00 176.35 175.38 1qkc s LEU 149 N -0.81 1.95 -0.08 -0.68 2.96 -1.20 -1.47 118.68 119.35 1qkc s LEU 149 Ca -0.09 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 1qkc s LEU 149 Cb -0.05 -1.17 0.02 0.00 0.50 0.00 0.00 46.19 45.49 1qkc s LEU 149 CO 0.01 0.14 -0.06 0.21 -1.32 0.00 0.00 176.35 175.34 1qkc s ASN 150 N 0.26 1.63 0.05 3.68 2.47 0.19 0.94 114.94 124.16 1qkc s ASN 150 Ca -0.12 -0.20 -0.00 0.00 0.42 0.00 0.00 52.86 52.95 1qkc s ASN 150 Cb -0.15 -0.64 -0.04 0.00 -1.45 0.00 0.00 41.25 38.97 1qkc s ASN 150 CO 0.05 -0.09 0.20 -0.04 -3.72 0.00 0.00 177.10 173.51 1qkc s MET 151 N 1.35 3.43 -0.24 0.43 -1.94 0.57 0.21 119.30 123.10 1qkc s MET 151 Ca -0.03 -0.43 -0.02 0.00 -1.71 0.00 0.00 55.69 53.50 1qkc s MET 151 Cb -0.14 -3.04 0.02 0.00 2.01 0.00 0.00 34.83 33.69 1qkc s MET 151 CO -0.03 0.62 -0.07 0.08 -0.01 0.00 0.00 175.02 175.61 1qkc s VAL 152 N -1.49 2.87 0.85 -6.03 1.01 -0.78 -1.32 120.40 115.53 1qkc s VAL 152 Ca 0.34 -0.98 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 1qkc s VAL 152 Cb -0.13 -2.44 0.04 0.00 0.00 0.00 0.00 36.38 33.85 1qkc s VAL 152 CO 0.27 0.23 0.72 -1.20 0.00 0.00 0.00 175.10 175.12 1qkc n SER 153 N 4.68 -0.81 -4.80 3.32 7.64 -1.26 0.95 113.62 123.33 1qkc n SER 153 Ca -0.17 0.47 -0.36 0.00 1.01 0.00 0.00 58.87 59.83 1qkc n SER 153 Cb 0.47 -1.32 -0.06 0.00 -1.01 0.00 0.00 64.21 62.29 1qkc n SER 153 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1qkc s LYS 154 N -3.65 4.40 0.42 1.43 1.02 -0.71 -4.06 119.74 118.59 1qkc s LYS 154 Ca 0.64 1.14 0.07 0.00 0.02 0.00 0.00 55.97 57.83 1qkc s LYS 154 Cb -0.27 -2.66 -0.07 0.00 -0.52 0.00 0.00 37.83 34.31 1qkc s LYS 154 CO 0.60 0.23 0.03 1.03 -0.92 0.00 0.00 175.35 176.32 1qkc s ARG 155 N -2.34 2.00 0.38 1.68 0.52 -1.26 -4.94 118.95 114.99 1qkc s ARG 155 Ca 0.51 -2.11 -0.28 0.00 -0.52 0.00 0.00 55.73 53.34 1qkc s ARG 155 Cb -0.16 -1.66 -0.11 0.00 0.52 0.00 0.00 34.95 33.54 1qkc s ARG 155 CO 0.20 -0.09 1.42 -2.30 0.02 0.00 0.00 175.30 174.56 1qkc n PRO 156 N -1.02 2.45 -3.17 3.54 -0.02 -1.26 -4.93 135.00 130.59 1qkc n PRO 156 Ca -0.06 0.86 -0.26 0.00 -2.02 0.00 0.00 63.50 62.03 1qkc n PRO 156 Cb 0.67 -2.56 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1qkc n PRO 156 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1qkc s THR 157 N -1.12 5.04 0.09 3.45 -4.23 -1.26 -5.01 115.64 112.60 1qkc s THR 157 Ca 0.55 -0.20 -0.18 0.00 -1.18 0.00 0.00 61.69 60.68 1qkc s THR 157 Cb -0.50 -3.84 -0.07 0.00 1.34 0.00 0.00 72.50 69.43 1qkc s THR 157 CO 0.63 -0.60 1.56 0.71 -0.54 0.00 0.00 174.62 176.38 1qkc h THR 158 N 0.71 1.23 -2.15 3.99 1.35 -1.96 -3.44 112.91 112.64 1qkc h THR 158 Ca -0.49 -0.80 -0.52 0.00 -0.55 0.00 0.00 66.41 64.05 1qkc h THR 158 Cb 1.21 1.24 -0.06 0.00 -1.73 0.00 0.00 68.15 68.81 1qkc h THR 158 CO 0.62 0.26 -0.55 -1.61 -0.25 0.00 0.00 175.52 173.99 1qkc s GLU 159 N -5.15 2.71 0.72 4.72 2.02 -1.26 -4.93 118.70 117.53 1qkc s GLU 159 Ca -0.14 -1.20 -0.16 0.00 0.02 0.00 0.00 54.97 53.49 1qkc s GLU 159 Cb 0.08 -2.43 -0.03 0.00 0.10 0.00 0.00 34.13 31.85 1qkc s GLU 159 CO 0.74 0.34 0.62 -2.30 0.02 0.00 0.00 175.26 174.69 1qkc n PRO 160 N -1.12 0.34 -3.73 0.39 -0.02 -1.26 -4.77 135.00 124.83 1qkc n PRO 160 Ca -0.07 0.16 -0.21 0.00 -2.02 0.00 0.00 63.50 61.36 1qkc n PRO 160 Cb 0.59 -1.91 -0.18 0.00 -0.02 0.00 0.00 33.50 31.98 1qkc n PRO 160 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1qkc s LEU 161 N -0.84 0.42 -0.37 2.45 2.96 0.15 -4.93 118.68 118.52 1qkc s LEU 161 Ca 0.67 0.00 0.02 0.00 -0.22 0.00 0.00 54.13 54.61 1qkc s LEU 161 Cb -0.35 -0.27 0.11 0.00 0.50 0.00 0.00 46.19 46.18 1qkc s LEU 161 CO 0.56 -0.21 0.11 -0.54 -1.32 0.00 0.00 176.35 174.95 1qkc s LYS 162 N 1.98 1.29 -0.04 1.98 -0.14 -1.26 -2.00 119.74 121.56 1qkc s LYS 162 Ca 0.04 -1.75 0.06 0.00 -1.36 0.00 0.00 55.97 52.95 1qkc s LYS 162 Cb -0.12 -2.76 -0.01 0.00 -1.68 0.00 0.00 37.83 33.26 1qkc s LYS 162 CO -0.04 -1.00 -0.21 -2.00 -0.76 0.00 0.00 175.35 171.34 1qkc s GLU 163 N 0.89 2.03 -0.07 1.68 2.12 -1.04 -0.17 118.70 124.15 1qkc s GLU 163 Ca 0.12 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.70 1qkc s GLU 163 Cb -0.20 -1.81 0.02 0.00 0.26 0.00 0.00 34.13 32.40 1qkc s GLU 163 CO -0.11 0.37 -0.06 0.08 -0.54 0.00 0.00 175.26 174.99 1qkc s VAL 164 N -0.22 0.76 -0.01 3.70 1.01 -0.76 -1.91 120.40 122.97 1qkc s VAL 164 Ca 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.84 1qkc s VAL 164 Cb -0.11 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 1qkc s VAL 164 CO 0.02 0.29 -0.21 -1.58 0.00 0.00 0.00 175.10 173.62 1qkc s GLN 165 N 1.13 1.65 -0.12 2.72 0.74 0.24 0.62 119.66 126.64 1qkc s GLN 165 Ca -0.07 -0.77 0.01 0.00 0.05 0.00 0.00 55.36 54.58 1qkc s GLN 165 Cb -0.14 -1.61 0.02 0.00 1.10 0.00 0.00 33.01 32.38 1qkc s GLN 165 CO -0.01 0.44 -0.12 -0.06 -0.55 0.00 0.00 175.29 174.99 1qkc s PHE 166 N -0.52 1.78 0.32 1.67 0.08 0.39 -1.03 117.98 120.67 1qkc s PHE 166 Ca 0.08 -0.89 0.08 0.00 0.12 0.00 0.00 56.93 56.32 1qkc s PHE 166 Cb -0.08 -1.36 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 1qkc s PHE 166 CO -0.00 -0.52 0.20 0.15 -0.10 0.00 0.00 175.22 174.94 1qkc s LYS 167 N 1.34 2.59 -0.30 0.44 1.02 0.33 -0.83 119.74 124.33 1qkc s LYS 167 Ca -0.00 -1.36 -0.18 0.00 0.02 0.00 0.00 55.97 54.44 1qkc s LYS 167 Cb -0.14 -2.35 0.19 0.00 -0.52 0.00 0.00 37.83 35.01 1qkc s LYS 167 CO -0.06 0.17 1.23 0.00 -0.92 0.00 0.00 175.35 175.77 1qkc s ALA 168 N -2.33 -3.24 0.26 5.17 0.00 -0.84 -3.51 121.76 117.28 1qkc s ALA 168 Ca 0.38 1.79 -0.04 0.00 0.00 0.00 0.00 51.96 54.08 1qkc s ALA 168 Cb -0.05 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 20.81 1qkc s ALA 168 CO 0.24 -1.02 0.42 0.41 0.00 0.00 0.00 175.76 175.82 1qkc n GLY 169 N 4.71 2.03 3.58 0.00 0.00 -0.14 0.15 105.19 115.52 1qkc n GLY 169 Ca -0.07 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 1qkc n GLY 169 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qkc n THR 170 N -0.41 0.63 -3.07 2.61 -1.04 -0.26 -2.10 114.28 110.65 1qkc n THR 170 Ca -0.02 -0.14 -0.19 0.00 -2.04 0.00 0.00 64.05 61.66 1qkc n THR 170 Cb 0.42 -0.91 0.04 0.00 -1.82 0.00 0.00 70.33 68.07 1qkc n THR 170 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1qkc n ASP 171 N -2.80 -5.46 -3.52 8.00 9.92 -1.26 -3.10 116.55 118.34 1qkc n ASP 171 Ca 0.11 -0.31 -0.26 0.00 -0.53 0.00 0.00 54.79 53.80 1qkc n ASP 171 Cb 0.52 -4.21 0.00 0.00 -0.64 0.00 0.00 41.12 36.79 1qkc n ASP 171 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1qkc n SER 172 N -1.93 -4.08 -4.70 -2.24 7.64 -1.20 -0.62 113.62 106.48 1qkc n SER 172 Ca -0.06 -0.51 -0.42 0.00 1.01 0.00 0.00 58.87 58.89 1qkc n SER 172 Cb 0.58 -3.34 -0.03 0.00 -1.01 0.00 0.00 64.21 60.41 1qkc n SER 172 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1qkc s LEU 173 N -6.73 4.34 -0.18 -3.43 2.96 -0.89 -4.17 118.68 110.58 1qkc s LEU 173 Ca 0.48 1.96 -0.04 0.00 -0.22 0.00 0.00 54.13 56.31 1qkc s LEU 173 Cb -0.25 -3.57 0.09 0.00 0.50 0.00 0.00 46.19 42.96 1qkc s LEU 173 CO 0.59 -0.52 0.22 -0.36 -1.32 0.00 0.00 176.35 174.96 1qkc s PHE 174 N 1.49 -0.29 -0.04 5.38 0.08 0.44 -0.97 117.98 124.08 1qkc s PHE 174 Ca 0.58 0.36 0.06 0.00 0.12 0.00 0.00 56.93 58.05 1qkc s PHE 174 Cb -0.28 -0.31 -0.01 0.00 -0.57 0.00 0.00 43.02 41.85 1qkc s PHE 174 CO 0.27 -0.55 -0.21 -1.14 -0.10 0.00 0.00 175.22 173.49 1qkc s GLN 175 N 2.34 1.99 -0.15 0.44 0.74 -1.23 -1.49 119.66 122.30 1qkc s GLN 175 Ca 0.06 -0.76 -0.03 0.00 0.05 0.00 0.00 55.36 54.69 1qkc s GLN 175 Cb -0.15 -1.78 0.05 0.00 1.10 0.00 0.00 33.01 32.23 1qkc s GLN 175 CO -0.11 0.37 0.04 -0.08 -0.55 0.00 0.00 175.29 174.96 1qkc s THR 176 N -0.23 0.34 0.26 -0.34 -1.32 0.14 0.12 115.64 114.61 1qkc s THR 176 Ca 0.01 -0.25 -0.02 0.00 -1.21 0.00 0.00 61.69 60.22 1qkc s THR 176 Cb -0.11 -0.77 -0.02 0.00 -1.51 0.00 0.00 72.50 70.09 1qkc s THR 176 CO 0.01 -0.07 0.29 -0.83 -2.21 0.00 0.00 174.62 171.82 1qkc s GLY 177 N 1.96 1.43 0.25 6.08 0.00 -0.20 -1.77 107.32 115.06 1qkc s GLY 177 Ca 0.02 -1.57 0.01 0.00 0.00 0.00 0.00 44.72 43.18 1qkc s GLY 177 CO -0.07 -1.18 0.15 -0.11 0.00 0.00 0.00 173.10 171.89 1qkc s PHE 178 N -3.79 1.40 -0.33 1.90 -0.71 -0.09 0.79 117.98 117.14 1qkc s PHE 178 Ca 0.34 -1.39 0.05 0.00 -1.04 0.00 0.00 56.93 54.90 1qkc s PHE 178 Cb 0.03 -0.70 0.18 0.00 -1.21 0.00 0.00 43.02 41.33 1qkc s PHE 178 CO 0.16 -0.60 0.54 0.34 -1.34 0.00 0.00 175.22 174.32 1qkc s ASP 179 N -3.26 -0.91 0.17 1.98 2.15 -0.80 -1.70 116.67 114.30 1qkc s ASP 179 Ca 0.38 -0.39 0.08 0.00 0.43 0.00 0.00 52.55 53.05 1qkc s ASP 179 Cb 0.06 1.68 -0.04 0.00 -0.30 0.00 0.00 42.92 44.32 1qkc s ASP 179 CO 0.16 -0.27 -0.03 -0.36 -0.17 0.00 0.00 175.17 174.50 1qkc s PHE 180 N 2.35 2.79 -0.28 -5.34 0.08 -0.89 -2.48 117.98 114.19 1qkc s PHE 180 Ca 0.12 -0.16 -0.18 0.00 0.12 0.00 0.00 56.93 56.84 1qkc s PHE 180 Cb -0.09 -1.35 0.12 0.00 -0.57 0.00 0.00 43.02 41.12 1qkc s PHE 180 CO -0.19 0.52 0.88 0.45 -0.10 0.00 0.00 175.22 176.77 1qkc s SER 181 N -2.90 -0.65 0.39 1.36 0.15 -0.85 -1.09 113.70 110.11 1qkc s SER 181 Ca 0.27 1.08 -0.13 0.00 0.70 0.00 0.00 55.95 57.87 1qkc s SER 181 Cb -0.09 1.24 0.05 0.00 -1.71 0.00 0.00 66.02 65.51 1qkc s SER 181 CO 0.18 -0.17 0.74 -0.67 1.20 0.00 0.00 173.24 174.51 1qkc n ASP 182 N 3.68 -2.13 -4.35 5.45 -0.08 -1.24 0.33 116.55 118.20 1qkc n ASP 182 Ca -0.18 -2.63 -0.30 0.00 -1.51 0.00 0.00 54.79 50.17 1qkc n ASP 182 Cb 0.58 3.60 -0.14 0.00 2.34 0.00 0.00 41.12 47.49 1qkc n ASP 182 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1qkc s SER 183 N -3.07 3.20 -0.01 1.67 0.01 -1.26 -1.24 113.70 113.01 1qkc s SER 183 Ca 0.18 -0.61 -0.23 0.00 1.31 0.00 0.00 55.95 56.60 1qkc s SER 183 Cb -0.04 -0.28 -0.19 0.00 0.21 0.00 0.00 66.02 65.71 1qkc s SER 183 CO 0.13 0.25 1.20 -0.07 0.41 0.00 0.00 173.24 175.16 1qkc h LEU 184 N 4.64 0.28-10.65 2.44 3.38 0.55 -3.47 115.31 112.48 1qkc h LEU 184 Ca -0.47 -0.61 -0.49 0.00 0.09 0.00 0.00 57.88 56.40 1qkc h LEU 184 Cb 1.15 -0.08 0.03 0.00 0.09 0.00 0.00 40.66 41.85 1qkc h LEU 184 CO 0.43 0.84 -0.08 1.51 0.09 0.00 0.00 178.44 181.23 1qkc s ASP 185 N -6.18 5.02 0.08 -0.43 -4.77 -1.25 -5.02 116.67 104.12 1qkc s ASP 185 Ca -0.15 -0.80 0.25 0.00 -3.30 0.00 0.00 52.55 48.55 1qkc s ASP 185 Cb 0.03 0.26 0.50 0.00 -1.09 0.00 0.00 42.92 42.62 1qkc s ASP 185 CO 0.74 -1.40 1.43 0.47 0.70 0.00 0.00 175.17 177.11 1qkc n ASP 186 N -2.31 0.60 0.03 2.11 8.00 -1.26 -3.76 116.55 119.95 1qkc n ASP 186 Ca 0.16 0.09 0.11 0.00 0.71 0.00 0.00 54.79 55.85 1qkc n ASP 186 Cb 0.61 0.06 -0.00 0.00 -0.02 0.00 0.00 41.12 41.77 1qkc n ASP 186 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1qkc n ASP 187 N -1.91 0.59 0.00 -2.24 8.00 -1.26 -4.99 116.55 114.75 1qkc n ASP 187 Ca 0.04 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1qkc n ASP 187 Cb 0.40 0.89 0.00 0.00 -0.02 0.00 0.00 41.12 42.39 1qkc n ASP 187 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qkc n GLY 188 N 1.36 0.56 0.17 0.44 0.00 -1.25 -4.93 105.19 101.55 1qkc n GLY 188 Ca 0.01 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.33 1qkc n GLY 188 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1qkc h VAL 189 N 0.00 0.00 -3.22 1.61 3.04 -1.88 -3.41 116.25 112.39 1qkc h VAL 189 Ca 0.00 -0.72 -0.54 0.00 -1.01 0.00 0.00 66.70 64.43 1qkc h VAL 189 Cb 0.43 1.71 -0.40 0.00 -2.01 0.00 0.00 31.29 31.02 1qkc h VAL 189 CO 0.00 0.00 -0.76 -0.31 -1.01 0.00 0.00 177.57 175.49 1qkc s TYR 190 N -3.20 1.25 0.30 3.17 2.02 -1.26 -1.61 117.35 118.01 1qkc s TYR 190 Ca 0.08 -1.17 0.02 0.00 -0.37 0.00 0.00 57.07 55.63 1qkc s TYR 190 Cb 0.08 -1.25 -0.05 0.00 -0.40 0.00 0.00 41.96 40.35 1qkc s TYR 190 CO 0.62 -0.72 0.11 -1.54 -1.57 0.00 0.00 175.55 172.45 1qkc s SER 191 N 1.78 1.64 0.00 2.29 1.04 -1.14 0.12 113.70 119.43 1qkc s SER 191 Ca 0.03 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.01 1qkc s SER 191 Cb -0.17 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1qkc s SER 191 CO -0.15 -0.76 0.00 0.00 0.98 0.00 0.00 173.24 173.31 1qkc n TYR 192 N -0.58 -0.63 -3.60 5.02 4.11 -0.37 -2.08 117.16 119.04 1qkc n TYR 192 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.80 1qkc n TYR 192 Cb 0.66 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.94 1qkc n TYR 192 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 1qkc s ARG 193 N -1.51 0.52 -0.28 -3.48 3.52 -0.67 -3.60 118.95 113.45 1qkc s ARG 193 Ca 0.00 0.21 -0.01 0.00 -0.13 0.00 0.00 55.73 55.80 1qkc s ARG 193 Cb 0.00 0.24 0.13 0.00 -1.56 0.00 0.00 34.95 33.76 1qkc s ARG 193 CO 0.00 -0.14 0.27 -1.17 -0.81 0.00 0.00 175.30 173.45 1qkc s LEU 194 N -0.83 -0.16 -0.11 -0.88 2.96 -0.25 -0.77 118.68 118.64 1qkc s LEU 194 Ca 0.00 -0.70 -0.04 0.00 -0.22 0.00 0.00 54.13 53.16 1qkc s LEU 194 Cb -0.01 0.43 -0.04 0.00 0.50 0.00 0.00 46.19 47.07 1qkc s LEU 194 CO -0.01 -0.38 0.06 -0.89 -1.32 0.00 0.00 176.35 173.80 1qkc s THR 195 N 2.34 4.79 0.13 3.68 2.01 -1.03 -2.10 115.64 125.45 1qkc s THR 195 Ca 0.09 -0.06 -0.24 0.00 0.31 0.00 0.00 61.69 61.79 1qkc s THR 195 Cb -0.14 -3.06 0.07 0.00 0.01 0.00 0.00 72.50 69.37 1qkc s THR 195 CO -0.30 0.59 0.61 -0.83 -0.69 0.00 0.00 174.62 174.00 1qkc s GLY 196 N -0.75 -0.61 0.11 4.40 0.00 -0.69 0.11 107.32 109.90 1qkc s GLY 196 Ca 0.12 0.60 -0.19 0.00 0.00 0.00 0.00 44.72 45.25 1qkc s GLY 196 CO 0.03 0.27 0.48 0.48 0.00 0.00 0.00 173.10 174.35 1qkc s LEU 197 N -2.53 0.04 -0.16 0.66 0.05 0.10 -0.92 118.68 115.92 1qkc s LEU 197 Ca -0.01 -0.10 -0.01 0.00 0.05 0.00 0.00 54.13 54.06 1qkc s LEU 197 Cb -0.01 2.10 0.05 0.00 -2.05 0.00 0.00 46.19 46.27 1qkc s LEU 197 CO -0.10 -0.84 -0.02 0.00 -0.55 0.00 0.00 176.35 174.84 1qkc s ALA 198 N -3.38 1.24 -0.03 1.48 0.00 -0.73 -1.77 121.76 118.57 1qkc s ALA 198 Ca -0.00 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1qkc s ALA 198 Cb 0.00 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 22.04 1qkc s ALA 198 CO -0.09 -0.85 -0.08 0.50 0.00 0.00 0.00 175.76 175.23 1qkc s ARG 199 N 1.74 0.91 0.00 0.00 3.52 -0.69 -0.69 118.95 123.74 1qkc s ARG 199 Ca 0.01 -0.27 -0.03 0.00 -0.13 0.00 0.00 55.73 55.31 1qkc s ARG 199 Cb -0.15 -0.85 -0.01 0.00 -1.56 0.00 0.00 34.95 32.38 1qkc s ARG 199 CO -0.07 0.09 0.05 0.45 -0.81 0.00 0.00 175.30 175.00 1qkc s SER 200 N 0.27 0.09 0.08 -2.12 0.15 -0.56 -0.98 113.70 110.62 1qkc s SER 200 Ca -0.04 -0.22 -0.27 0.00 0.70 0.00 0.00 55.95 56.12 1qkc s SER 200 Cb -0.09 0.14 0.09 0.00 -1.71 0.00 0.00 66.02 64.45 1qkc s SER 200 CO 0.00 -0.23 1.12 0.00 1.20 0.00 0.00 173.24 175.33 1qkc s ALA 201 N -0.98 -1.93 -0.08 5.45 0.00 -0.98 -0.42 121.76 122.83 1qkc s ALA 201 Ca -0.11 0.28 -0.10 0.00 0.00 0.00 0.00 51.96 52.03 1qkc s ALA 201 Cb -0.06 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.57 1qkc s ALA 201 CO 0.00 -1.06 0.25 -0.80 0.00 0.00 0.00 175.76 174.15 1qkc s ASN 202 N -3.08 6.55 1.34 0.00 0.02 0.21 -1.67 114.94 118.31 1qkc s ASN 202 Ca 0.15 0.65 -0.21 0.00 -1.02 0.00 0.00 52.86 52.43 1qkc s ASN 202 Cb 0.01 -2.14 0.34 0.00 0.02 0.00 0.00 41.25 39.47 1qkc s ASN 202 CO 0.00 0.36 0.99 0.00 0.02 0.00 0.00 177.10 178.47 1qkc s ALA 203 N -0.95 -0.32 0.10 0.60 0.00 0.23 -4.84 121.76 116.58 1qkc s ALA 203 Ca 0.18 -0.82 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 1qkc s ALA 203 Cb -0.14 -2.94 -0.17 0.00 0.00 0.00 0.00 23.12 19.87 1qkc s ALA 203 CO 0.07 -4.26 1.25 0.37 0.00 0.00 0.00 175.76 173.20 1qkc h GLN 204 N -3.13 0.62 -6.87 0.00 4.15 -1.91 -3.44 115.11 104.52 1qkc h GLN 204 Ca -0.45 -0.63 -0.49 0.00 0.77 0.00 0.00 58.65 57.85 1qkc h GLN 204 Cb 1.33 0.17 0.01 0.00 0.21 0.00 0.00 27.48 29.20 1qkc h GLN 204 CO 0.31 1.24 0.41 -0.65 -1.93 0.00 0.00 178.83 178.22 1qkc s GLN 205 N -3.37 4.47 0.32 1.69 -1.52 -1.26 -4.58 119.66 115.41 1qkc s GLN 205 Ca -0.08 1.58 -0.29 0.00 -1.95 0.00 0.00 55.36 54.61 1qkc s GLN 205 Cb 0.08 -2.89 -0.11 0.00 -0.22 0.00 0.00 33.01 29.87 1qkc s GLN 205 CO 0.90 0.12 1.41 0.15 -0.25 0.00 0.00 175.29 177.63 1qkc s LYS 206 N -1.92 4.24 0.00 2.91 -0.14 -0.77 -2.95 119.74 121.11 1qkc s LYS 206 Ca 0.50 2.37 0.00 0.00 -1.36 0.00 0.00 55.97 57.48 1qkc s LYS 206 Cb -0.25 -3.05 0.00 0.00 -1.68 0.00 0.00 37.83 32.85 1qkc s LYS 206 CO 0.32 -0.38 0.00 0.41 -0.76 0.00 0.00 175.35 174.94 1qkc n GLY 207 N 1.13 2.58 3.85 -3.33 0.00 -1.26 -4.72 105.19 103.44 1qkc n GLY 207 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1qkc n GLY 207 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qkc s SER 208 N -2.30 6.72 0.19 1.61 0.01 -1.15 -5.02 113.70 113.75 1qkc s SER 208 Ca 0.00 0.86 0.08 0.00 1.31 0.00 0.00 55.95 58.20 1qkc s SER 208 Cb 0.00 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.98 1qkc s SER 208 CO 0.00 0.31 -0.16 -1.61 0.41 0.00 0.00 173.24 172.19 1qkc s GLU 209 N -1.23 1.32 -0.05 12.44 2.02 -1.26 0.73 118.70 132.67 1qkc s GLU 209 Ca 0.24 -1.53 0.04 0.00 0.02 0.00 0.00 54.97 53.73 1qkc s GLU 209 Cb -0.15 -1.21 0.00 0.00 0.10 0.00 0.00 34.13 32.87 1qkc s GLU 209 CO 0.13 0.22 -0.16 -1.21 0.02 0.00 0.00 175.26 174.25 1qkc s GLU 210 N -3.36 1.86 -0.16 1.61 2.02 -0.67 -0.57 118.70 119.43 1qkc s GLU 210 Ca 0.20 -0.57 -0.06 0.00 0.02 0.00 0.00 54.97 54.56 1qkc s GLU 210 Cb -0.03 -1.56 0.07 0.00 0.10 0.00 0.00 34.13 32.71 1qkc s GLU 210 CO 0.07 0.17 0.34 -0.65 0.02 0.00 0.00 175.26 175.22 1qkc s GLN 211 N 0.24 0.26 -0.01 1.61 -0.21 0.11 -2.32 119.66 119.34 1qkc s GLN 211 Ca -0.08 0.82 0.02 0.00 0.02 0.00 0.00 55.36 56.14 1qkc s GLN 211 Cb -0.13 0.07 -0.00 0.00 1.00 0.00 0.00 33.01 33.94 1qkc s GLN 211 CO 0.03 -0.23 -0.07 0.50 -2.12 0.00 0.00 175.29 173.40 1qkc s ARG 212 N 2.09 0.63 -0.15 2.91 3.52 -0.16 -3.82 118.95 123.97 1qkc s ARG 212 Ca -0.04 -0.26 -0.02 0.00 -0.13 0.00 0.00 55.73 55.28 1qkc s ARG 212 Cb -0.11 -0.61 0.05 0.00 -1.56 0.00 0.00 34.95 32.71 1qkc s ARG 212 CO -0.11 0.15 0.01 0.71 -0.81 0.00 0.00 175.30 175.25 1qkc s TYR 213 N -0.11 1.03 0.01 5.12 2.02 -0.19 -1.71 117.35 123.53 1qkc s TYR 213 Ca 0.02 -0.67 0.02 0.00 -0.37 0.00 0.00 57.07 56.07 1qkc s TYR 213 Cb -0.04 -1.00 -0.01 0.00 -0.40 0.00 0.00 41.96 40.51 1qkc s TYR 213 CO -0.00 -0.52 -0.06 0.00 -1.57 0.00 0.00 175.55 173.40 1qkc s ALA 214 N 1.86 0.44 -0.09 3.71 0.00 -0.73 -0.11 121.76 126.84 1qkc s ALA 214 Ca 0.01 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.49 1qkc s ALA 214 Cb -0.15 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 22.98 1qkc s ALA 214 CO -0.07 0.04 0.22 -1.50 0.00 0.00 0.00 175.76 174.45 1qkc s ILE 215 N -0.65 -0.03 -0.46 0.00 2.07 -0.72 0.00 121.20 121.41 1qkc s ILE 215 Ca -0.04 0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.34 1qkc s ILE 215 Cb -0.05 -0.34 0.12 0.00 0.13 0.00 0.00 42.46 42.32 1qkc s ILE 215 CO 0.00 0.05 0.22 0.00 -1.91 0.00 0.00 174.94 173.30 1qkc s ALA 216 N 1.00 3.20 -0.10 1.50 0.00 0.31 -1.06 121.76 126.62 1qkc s ALA 216 Ca -0.07 -2.89 -0.30 0.00 0.00 0.00 0.00 51.96 48.70 1qkc s ALA 216 Cb -0.09 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.77 1qkc s ALA 216 CO -0.06 -1.89 1.04 -2.14 0.00 0.00 0.00 175.76 172.71 1qkc s PRO 217 N 0.42 4.41 0.07 0.00 0.02 -1.14 -2.46 135.00 136.31 1qkc s PRO 217 Ca 0.13 1.43 0.05 0.00 0.02 0.00 0.00 61.00 62.63 1qkc s PRO 217 Cb -0.22 -3.55 -0.03 0.00 0.02 0.00 0.00 34.50 30.72 1qkc s PRO 217 CO -0.04 -0.35 -0.14 0.00 -0.33 0.00 0.00 177.00 176.14 1qkc s ALA 218 N 2.09 1.16 -0.24 -1.55 0.00 0.05 -1.35 121.76 121.92 1qkc s ALA 218 Ca 0.49 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 51.40 1qkc s ALA 218 Cb -0.19 -0.11 0.11 0.00 0.00 0.00 0.00 23.12 22.93 1qkc s ALA 218 CO 0.18 0.17 0.53 0.12 0.00 0.00 0.00 175.76 176.76 1qkc s PHE 219 N -1.21 -1.04 -0.24 0.00 5.36 -0.17 -1.67 117.98 119.01 1qkc s PHE 219 Ca -0.02 1.89 -0.03 0.00 -0.96 0.00 0.00 56.93 57.81 1qkc s PHE 219 Cb -0.10 0.53 0.01 0.00 -0.34 0.00 0.00 43.02 43.13 1qkc s PHE 219 CO 0.02 -0.56 -0.04 0.99 -1.46 0.00 0.00 175.22 174.17 1qkc s THR 220 N 2.67 3.19 -0.29 0.12 2.01 -0.88 0.92 115.64 123.39 1qkc s THR 220 Ca -0.04 -0.79 -0.12 0.00 0.31 0.00 0.00 61.69 61.05 1qkc s THR 220 Cb -0.12 -2.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1qkc s THR 220 CO -0.16 0.27 0.25 0.86 -0.69 0.00 0.00 174.62 175.15 1qkc s TRP 221 N 1.40 3.23 -0.75 4.92 -0.00 -0.55 -2.88 118.94 124.31 1qkc s TRP 221 Ca 0.03 0.12 0.03 0.00 -0.00 0.00 0.00 56.10 56.28 1qkc s TRP 221 Cb -0.16 -2.46 0.20 0.00 -0.00 0.00 0.00 33.47 31.06 1qkc s TRP 221 CO -0.03 -0.23 0.65 0.54 -0.00 0.00 0.00 176.95 177.88 1qkc n ARG 222 N 5.15 2.25 0.00 5.86 1.74 -0.64 -1.55 116.66 129.47 1qkc n ARG 222 Ca -0.12 -4.53 0.00 0.00 -0.77 0.00 0.00 57.85 52.42 1qkc n ARG 222 Cb 0.51 -2.32 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 1qkc n ARG 222 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1qkc n PRO 223 N 1.78 0.00 0.00 5.56 -0.04 -1.26 -4.51 135.00 136.53 1qkc n PRO 223 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1qkc n PRO 223 Cb 0.37 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1qkc n PRO 223 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1qkc n ASP 224 N -0.74 0.00 -0.61 3.54 5.68 -1.26 -5.01 116.55 118.15 1qkc n ASP 224 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1qkc n ASP 224 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1qkc n ASP 224 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1qkc n ASP 225 N 0.00 0.08 0.00 -1.12 5.68 -1.26 -4.78 116.55 115.15 1qkc n ASP 225 Ca 0.00 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 1qkc n ASP 225 Cb 0.00 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 1qkc n ASP 225 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1qkc n LYS 226 N 0.05 0.13 -4.77 0.11 5.02 -1.26 -5.00 118.16 112.43 1qkc n LYS 226 Ca 0.00 -0.05 -0.25 0.00 -2.02 0.00 0.00 58.31 55.99 1qkc n LYS 226 Cb 0.72 -0.44 -0.16 0.00 -0.02 0.00 0.00 35.03 35.13 1qkc n LYS 226 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1qkc s THR 227 N -0.03 1.33 -0.10 -0.18 2.01 -1.26 0.12 115.64 117.53 1qkc s THR 227 Ca 0.00 -0.67 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 1qkc s THR 227 Cb 0.00 -1.14 0.05 0.00 0.01 0.00 0.00 72.50 71.42 1qkc s THR 227 CO 0.00 0.39 0.20 0.21 -0.69 0.00 0.00 174.62 174.72 1qkc s ASN 228 N -0.01 0.62 -0.36 3.53 3.84 0.37 -4.11 114.94 118.83 1qkc s ASN 228 Ca -0.02 0.42 0.01 0.00 0.21 0.00 0.00 52.86 53.48 1qkc s ASN 228 Cb -0.10 0.42 0.11 0.00 -0.55 0.00 0.00 41.25 41.13 1qkc s ASN 228 CO 0.01 -0.24 0.13 0.12 -2.79 0.00 0.00 177.10 174.33 1qkc s PHE 229 N 2.34 2.30 -0.20 0.43 5.36 -0.60 -0.33 117.98 127.28 1qkc s PHE 229 Ca 0.03 -2.26 -0.15 0.00 -0.96 0.00 0.00 56.93 53.59 1qkc s PHE 229 Cb -0.12 -2.08 -0.04 0.00 -0.34 0.00 0.00 43.02 40.44 1qkc s PHE 229 CO -0.07 -0.86 0.34 0.99 -1.46 0.00 0.00 175.22 174.16 1qkc s THR 230 N 1.05 5.24 -0.26 0.12 2.01 0.61 -1.49 115.64 122.93 1qkc s THR 230 Ca 0.12 0.60 -0.13 0.00 0.31 0.00 0.00 61.69 62.59 1qkc s THR 230 Cb -0.20 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1qkc s THR 230 CO -0.14 0.29 0.28 0.12 -0.69 0.00 0.00 174.62 174.49 1qkc s PHE 231 N 1.11 3.27 -0.21 4.92 5.36 0.26 0.24 117.98 132.93 1qkc s PHE 231 Ca 0.17 0.32 0.01 0.00 -0.96 0.00 0.00 56.93 56.47 1qkc s PHE 231 Cb -0.14 -2.45 0.03 0.00 -0.34 0.00 0.00 43.02 40.11 1qkc s PHE 231 CO 0.07 -0.12 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.03 1qkc s LEU 232 N 1.69 2.63 0.18 6.12 1.43 0.27 -1.00 118.68 130.00 1qkc s LEU 232 Ca 0.12 -0.88 0.08 0.00 -1.03 0.00 0.00 54.13 52.42 1qkc s LEU 232 Cb -0.15 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 1qkc s LEU 232 CO 0.09 -0.07 -0.16 -0.94 0.23 0.00 0.00 176.35 175.50 1qkc s SER 233 N 1.24 2.58 -0.19 2.29 1.04 -0.46 -1.90 113.70 118.30 1qkc s SER 233 Ca 0.00 -0.92 -0.05 0.00 0.48 0.00 0.00 55.95 55.47 1qkc s SER 233 Cb -0.15 -0.14 0.10 0.00 0.10 0.00 0.00 66.02 65.92 1qkc s SER 233 CO -0.10 -0.09 0.34 -0.47 0.98 0.00 0.00 173.24 173.90 1qkc s TYR 234 N -2.41 -0.65 -0.24 5.02 5.04 -0.93 -2.87 117.35 120.31 1qkc s TYR 234 Ca 0.18 1.02 0.00 0.00 -2.44 0.00 0.00 57.07 55.83 1qkc s TYR 234 Cb -0.04 0.05 0.04 0.00 0.35 0.00 0.00 41.96 42.36 1qkc s TYR 234 CO 0.06 -0.53 -0.10 -0.06 -1.34 0.00 0.00 175.55 173.58 1qkc s PHE 235 N 2.51 3.08 0.03 4.97 0.08 -0.22 -2.23 117.98 126.20 1qkc s PHE 235 Ca 0.04 -1.81 0.05 0.00 0.12 0.00 0.00 56.93 55.33 1qkc s PHE 235 Cb -0.13 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.30 1qkc s PHE 235 CO -0.12 -0.79 -0.16 -1.14 -0.10 0.00 0.00 175.22 172.90 1qkc s GLN 236 N 1.25 1.12 -0.02 0.44 0.74 0.10 -1.75 119.66 121.53 1qkc s GLN 236 Ca -0.02 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 54.64 1qkc s GLN 236 Cb -0.17 -1.14 0.02 0.00 1.10 0.00 0.00 33.01 32.82 1qkc s GLN 236 CO -0.06 0.29 0.00 1.21 -0.55 0.00 0.00 175.29 176.18 1qkc s ASN 237 N -0.96 0.32 -0.28 6.67 2.47 0.85 0.27 114.94 124.28 1qkc s ASN 237 Ca 0.04 -0.02 -0.01 0.00 0.42 0.00 0.00 52.86 53.29 1qkc s ASN 237 Cb -0.08 -0.16 0.09 0.00 -1.45 0.00 0.00 41.25 39.66 1qkc s ASN 237 CO 0.01 -0.08 0.07 -1.61 -3.72 0.00 0.00 177.10 171.77 1qkc s GLU 238 N 0.81 0.81 0.10 0.43 2.02 -0.18 -1.02 118.70 121.67 1qkc s GLU 238 Ca -0.08 -0.95 -0.26 0.00 0.02 0.00 0.00 54.97 53.71 1qkc s GLU 238 Cb -0.11 -2.10 -0.12 0.00 0.10 0.00 0.00 34.13 31.89 1qkc s GLU 238 CO -0.02 -0.87 1.68 -1.00 0.02 0.00 0.00 175.26 175.07 1qkc h PRO 239 N 8.10 -0.30 -4.59 0.39 0.13 -1.83 -2.00 132.00 131.90 1qkc h PRO 239 Ca -0.14 0.02 -0.60 0.00 -0.87 0.00 0.00 66.00 64.41 1qkc h PRO 239 Cb 1.04 0.07 -0.36 0.00 0.13 0.00 0.00 31.00 31.88 1qkc h PRO 239 CO 0.44 -0.20 -0.82 -1.21 -0.23 0.00 0.00 178.00 175.98 1qkc s GLU 240 N -6.13 2.12 0.00 0.86 0.41 -1.19 -3.70 118.70 111.08 1qkc s GLU 240 Ca -0.15 -0.64 0.29 0.00 -0.41 0.00 0.00 54.97 54.06 1qkc s GLU 240 Cb 0.07 -2.18 1.23 0.00 -1.78 0.00 0.00 34.13 31.46 1qkc s GLU 240 CO 0.65 -0.31 1.87 0.25 -0.49 0.00 0.00 175.26 177.23 1qkc n THR 241 N 4.76 0.00 -1.00 3.63 -2.24 0.61 0.05 114.28 120.08 1qkc n THR 241 Ca -0.16 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1qkc n THR 241 Cb 0.49 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1qkc n THR 241 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qkc n GLY 242 N 1.31 -1.78 3.76 3.38 0.00 0.26 -4.37 105.19 107.75 1qkc n GLY 242 Ca 0.13 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.89 1qkc n GLY 242 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qkc s TYR 243 N 0.00 2.51 -0.33 1.61 5.04 -1.26 -4.87 117.35 120.05 1qkc s TYR 243 Ca 0.00 1.50 0.12 0.00 -2.44 0.00 0.00 57.07 56.25 1qkc s TYR 243 Cb 0.00 -3.50 0.39 0.00 0.35 0.00 0.00 41.96 39.20 1qkc s TYR 243 CO 0.00 -2.12 1.49 0.98 -1.34 0.00 0.00 175.55 174.57 1qkc n TYR 244 N -1.21 -2.03 -3.92 4.97 9.36 -1.26 -4.64 117.16 118.43 1qkc n TYR 244 Ca 0.11 -1.67 -0.23 0.00 3.32 0.00 0.00 57.90 59.44 1qkc n TYR 244 Cb 0.49 1.53 -0.05 0.00 -0.63 0.00 0.00 39.34 40.68 1qkc n TYR 244 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1qkc s GLY 245 N -1.09 2.07 0.06 2.98 0.00 -1.26 -4.97 107.32 105.11 1qkc s GLY 245 Ca 0.10 -1.89 0.02 0.00 0.00 0.00 0.00 44.72 42.94 1qkc s GLY 245 CO -0.12 -1.76 0.12 -0.98 0.00 0.00 0.00 173.10 170.36 1qkc s TRP 246 N -2.46 3.31 -0.02 1.90 0.51 -1.26 -4.93 118.94 115.98 1qkc s TRP 246 Ca 0.42 0.15 0.02 0.00 -2.12 0.00 0.00 56.10 54.57 1qkc s TRP 246 Cb -0.02 -1.68 0.01 0.00 -0.81 0.00 0.00 33.47 30.97 1qkc s TRP 246 CO 0.25 0.55 -0.06 -0.51 -0.51 0.00 0.00 176.95 176.66 1qkc s LEU 247 N -2.35 1.70 0.62 2.99 1.43 -1.16 -3.74 118.68 118.18 1qkc s LEU 247 Ca 0.30 -0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 53.09 1qkc s LEU 247 Cb -0.12 -0.42 -0.05 0.00 0.03 0.00 0.00 46.19 45.63 1qkc s LEU 247 CO 0.23 0.02 0.77 -0.81 0.23 0.00 0.00 176.35 176.80 1qkc n PRO 248 N 3.43 0.65 0.25 1.29 -0.04 -1.26 -0.41 135.00 138.91 1qkc n PRO 248 Ca -0.19 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 1qkc n PRO 248 Cb 0.54 -1.99 0.68 0.00 -0.04 0.00 0.00 33.50 32.69 1qkc n PRO 248 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1qkc h LYS 249 N 0.20 0.00 -6.08 0.54 2.10 -1.26 -3.33 116.57 108.74 1qkc h LYS 249 Ca -0.47 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 57.68 1qkc h LYS 249 Cb 1.37 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.63 1qkc h LYS 249 CO 0.48 0.14 1.19 -1.21 -2.00 0.00 0.00 179.45 178.05 1qkc s GLU 250 N -4.25 3.09 0.00 0.07 8.01 -1.26 -0.65 118.70 123.70 1qkc s GLU 250 Ca -0.03 -0.37 0.00 0.00 0.01 0.00 0.00 54.97 54.58 1qkc s GLU 250 Cb 0.14 -4.77 0.00 0.00 -4.31 0.00 0.00 34.13 25.19 1qkc s GLU 250 CO 0.61 -2.52 0.00 0.41 0.01 0.00 0.00 175.26 173.77 1qkc n GLY 251 N 6.21 0.69 0.70 -1.39 0.00 0.13 -4.76 105.19 106.77 1qkc n GLY 251 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1qkc n GLY 251 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qkc n THR 252 N 0.00 0.00 -0.01 2.61 -2.24 -0.91 0.30 114.28 114.04 1qkc n THR 252 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 1qkc n THR 252 Cb 0.00 -0.17 -0.11 0.00 -2.10 0.00 0.00 70.33 67.95 1qkc n THR 252 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1qkc h VAL 253 N 0.00 1.45 -3.41 2.28 2.07 -1.57 -3.46 116.25 113.62 1qkc h VAL 253 Ca 0.00 -2.02 -0.66 0.00 0.82 0.00 0.00 66.70 64.84 1qkc h VAL 253 Cb 0.00 2.61 -0.14 0.00 -1.52 0.00 0.00 31.29 32.25 1qkc h VAL 253 CO 0.00 0.58 -0.67 -1.61 0.02 0.00 0.00 177.57 175.89 1qkc s GLU 254 N -3.22 2.60 0.50 1.57 2.02 0.17 -5.01 118.70 117.34 1qkc s GLU 254 Ca -0.14 -0.76 -0.21 0.00 0.02 0.00 0.00 54.97 53.88 1qkc s GLU 254 Cb 0.03 -2.56 -0.06 0.00 0.10 0.00 0.00 34.13 31.63 1qkc s GLU 254 CO 0.80 0.57 1.18 -2.14 0.02 0.00 0.00 175.26 175.69 1qkc s PRO 255 N -1.93 3.52 0.89 0.39 0.02 -1.26 0.20 135.00 136.84 1qkc s PRO 255 Ca 0.22 1.78 -0.12 0.00 0.02 0.00 0.00 61.00 62.90 1qkc s PRO 255 Cb -0.11 -2.24 0.13 0.00 0.02 0.00 0.00 34.50 32.29 1qkc s PRO 255 CO 0.14 -0.75 1.10 -0.51 -0.33 0.00 0.00 177.00 176.65 1qkc s LEU 256 N -3.38 2.21 0.25 -5.54 1.43 -0.75 -4.50 118.68 108.40 1qkc s LEU 256 Ca 0.68 1.36 -0.13 0.00 -1.03 0.00 0.00 54.13 55.01 1qkc s LEU 256 Cb -0.28 -3.78 0.33 0.00 0.03 0.00 0.00 46.19 42.49 1qkc s LEU 256 CO 0.33 -2.56 1.57 -0.65 0.23 0.00 0.00 176.35 175.28 1qkc h PRO 257 N -1.49 -0.02 -1.88 1.29 0.11 -1.86 0.16 132.00 128.32 1qkc h PRO 257 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1qkc h PRO 257 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1qkc h PRO 257 CO 0.57 -0.01 0.00 0.27 -0.21 0.00 0.00 178.00 178.62 1qkc n ASN 258 N -5.54 4.88 0.00 -2.05 6.94 -1.26 -4.82 115.26 113.42 1qkc n ASN 258 Ca 0.12 -2.31 0.00 0.00 -0.02 0.00 0.00 54.58 52.37 1qkc n ASN 258 Cb 0.43 -1.01 0.00 0.00 -2.36 0.00 0.00 39.78 36.84 1qkc n ASN 258 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qkc n GLY 259 N 1.39 0.00 3.91 4.83 0.00 0.56 -4.91 105.19 110.97 1qkc n GLY 259 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1qkc n GLY 259 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qkc s LYS 260 N -0.39 3.52 0.21 1.61 1.02 -1.26 -4.66 119.74 119.78 1qkc s LYS 260 Ca 0.00 -0.26 0.08 0.00 0.02 0.00 0.00 55.97 55.81 1qkc s LYS 260 Cb 0.00 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 1qkc s LYS 260 CO 0.00 0.57 0.04 1.03 -0.92 0.00 0.00 175.35 176.08 1qkc s ARG 261 N -2.41 2.51 0.31 1.68 0.52 -1.26 -1.81 118.95 118.49 1qkc s ARG 261 Ca 0.35 -1.14 -0.29 0.00 -0.52 0.00 0.00 55.73 54.13 1qkc s ARG 261 Cb -0.13 -2.38 -0.10 0.00 0.52 0.00 0.00 34.95 32.87 1qkc s ARG 261 CO 0.24 0.43 1.34 -0.51 0.02 0.00 0.00 175.30 176.82 1qkc s LEU 262 N -3.26 4.42 0.87 2.53 1.43 0.15 -4.78 118.68 120.02 1qkc s LEU 262 Ca 0.30 2.68 -0.12 0.00 -1.03 0.00 0.00 54.13 55.96 1qkc s LEU 262 Cb -0.08 -3.64 0.11 0.00 0.03 0.00 0.00 46.19 42.61 1qkc s LEU 262 CO 0.20 -0.58 1.14 -0.81 0.23 0.00 0.00 176.35 176.54 1qkc n PRO 263 N 1.19 -0.15 0.12 1.29 -0.04 -1.26 -4.83 135.00 131.32 1qkc n PRO 263 Ca 0.02 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 1qkc n PRO 263 Cb 0.41 -2.38 0.48 0.00 -0.04 0.00 0.00 33.50 31.97 1qkc n PRO 263 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1qkc n THR 264 N -3.78 0.83 -0.35 0.52 -2.24 -1.26 -1.89 114.28 106.12 1qkc n THR 264 Ca 0.13 0.22 0.08 0.00 -2.27 0.00 0.00 64.05 62.21 1qkc n THR 264 Cb 0.51 -1.14 0.24 0.00 -2.10 0.00 0.00 70.33 67.84 1qkc n THR 264 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1qkc n ASP 265 N -2.19 3.54 -4.76 3.42 5.75 -1.26 -4.78 116.55 116.27 1qkc n ASP 265 Ca 0.02 -2.13 -0.41 0.00 -0.01 0.00 0.00 54.79 52.26 1qkc n ASP 265 Cb 0.23 -0.38 -0.01 0.00 -1.03 0.00 0.00 41.12 39.93 1qkc n ASP 265 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1qkc s PHE 266 N -1.24 2.76 -0.12 2.11 5.36 -0.79 -1.85 117.98 124.20 1qkc s PHE 266 Ca 0.36 0.94 0.02 0.00 -0.96 0.00 0.00 56.93 57.29 1qkc s PHE 266 Cb 0.20 -4.01 0.01 0.00 -0.34 0.00 0.00 43.02 38.89 1qkc s PHE 266 CO 0.22 -3.23 -0.19 1.21 -1.46 0.00 0.00 175.22 171.77 1qkc s ASN 267 N 0.26 2.77 0.00 6.13 3.84 -1.26 -4.72 114.94 121.96 1qkc s ASN 267 Ca 0.59 -0.51 0.20 0.00 0.21 0.00 0.00 52.86 53.34 1qkc s ASN 267 Cb -0.46 -1.26 0.54 0.00 -0.55 0.00 0.00 41.25 39.51 1qkc s ASN 267 CO 0.52 0.05 1.45 -1.84 -2.79 0.00 0.00 177.10 174.48 1qkc n GLU 268 N 4.13 2.72 -3.38 0.43 -0.00 -1.26 -4.66 120.64 118.63 1qkc n GLU 268 Ca -0.19 -2.47 -0.19 0.00 -0.00 0.00 0.00 57.16 54.31 1qkc n GLU 268 Cb 0.51 -1.49 -0.01 0.00 -0.00 0.00 0.00 31.44 30.46 1qkc n GLU 268 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1qkc s GLY 269 N -1.04 1.89 0.78 -1.84 0.00 -1.25 -4.74 107.32 101.12 1qkc s GLY 269 Ca 0.41 -1.68 -0.15 0.00 0.00 0.00 0.00 44.72 43.31 1qkc s GLY 269 CO 0.29 -1.53 0.96 0.00 0.00 0.00 0.00 173.10 172.81 1qkc n ALA 270 N -1.65 -0.55 -0.08 3.20 0.00 -1.26 -4.48 120.51 115.69 1qkc n ALA 270 Ca 0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 53.44 53.14 1qkc n ALA 270 Cb 0.60 -2.11 0.18 0.00 0.00 0.00 0.00 19.45 18.12 1qkc n ALA 270 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1qkc h LYS 271 N -0.68 0.72 -0.91 0.00 3.64 -1.12 -2.38 116.57 115.85 1qkc h LYS 271 Ca -0.46 -0.19 -0.20 0.00 -1.27 0.00 0.00 60.65 58.52 1qkc h LYS 271 Cb 1.32 -0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 32.93 1qkc h LYS 271 CO 0.45 0.75 0.25 0.27 -2.27 0.00 0.00 179.45 178.90 1qkc n ASN 272 N -4.22 3.62 -4.73 4.20 6.94 -1.26 -4.93 115.26 114.88 1qkc n ASN 272 Ca 0.02 -2.83 -0.42 0.00 -0.02 0.00 0.00 54.58 51.34 1qkc n ASN 272 Cb 0.30 -0.67 -0.03 0.00 -2.36 0.00 0.00 39.78 37.02 1qkc n ASN 272 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1qkc s ASN 273 N -0.42 6.71 0.01 0.53 -0.87 -0.90 -4.89 114.94 115.10 1qkc s ASN 273 Ca 0.34 2.55 0.01 0.00 -1.57 0.00 0.00 52.86 54.19 1qkc s ASN 273 Cb 0.28 -2.61 -0.01 0.00 -0.02 0.00 0.00 41.25 38.89 1qkc s ASN 273 CO 0.08 -0.69 -0.03 0.28 -2.57 0.00 0.00 177.10 174.16 1qkc s THR 274 N 0.49 0.20 -0.06 1.60 -1.32 0.10 -4.99 115.64 111.67 1qkc s THR 274 Ca 0.62 -0.43 -0.02 0.00 -1.21 0.00 0.00 61.69 60.65 1qkc s THR 274 Cb -0.41 -0.24 0.04 0.00 -1.51 0.00 0.00 72.50 70.38 1qkc s THR 274 CO 0.37 -0.15 0.11 -0.47 -2.21 0.00 0.00 174.62 172.27 1qkc s TYR 275 N -0.59 -0.10 0.02 9.09 6.14 -1.26 -0.52 117.35 130.12 1qkc s TYR 275 Ca -0.05 0.40 -0.04 0.00 0.64 0.00 0.00 57.07 58.02 1qkc s TYR 275 Cb -0.04 -0.17 -0.01 0.00 0.42 0.00 0.00 41.96 42.16 1qkc s TYR 275 CO -0.00 -0.16 0.06 -1.54 0.64 0.00 0.00 175.55 174.54 1qkc s SER 276 N 1.36 0.16 -0.11 4.32 1.04 0.15 -0.29 113.70 120.33 1qkc s SER 276 Ca -0.07 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 55.86 1qkc s SER 276 Cb -0.12 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.20 1qkc s SER 276 CO -0.05 -0.38 0.28 -0.60 0.98 0.00 0.00 173.24 173.47 1qkc s ARG 277 N -1.76 0.30 -0.06 4.02 3.52 -0.75 -0.82 118.95 123.40 1qkc s ARG 277 Ca -0.12 0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.96 1qkc s ARG 277 Cb -0.07 0.07 0.01 0.00 -1.56 0.00 0.00 34.95 33.40 1qkc s ARG 277 CO -0.01 -0.08 -0.13 1.21 -0.81 0.00 0.00 175.30 175.48 1qkc s ASN 278 N 0.54 1.77 -0.02 -2.12 3.84 0.40 -1.01 114.94 118.34 1qkc s ASN 278 Ca -0.03 -0.29 0.04 0.00 0.21 0.00 0.00 52.86 52.79 1qkc s ASN 278 Cb -0.05 -0.73 -0.01 0.00 -0.55 0.00 0.00 41.25 39.92 1qkc s ASN 278 CO -0.03 0.06 -0.15 -1.61 -2.79 0.00 0.00 177.10 172.57 1qkc s GLU 279 N 0.50 1.41 -0.15 0.43 2.02 0.14 0.01 118.70 123.06 1qkc s GLU 279 Ca -0.11 -0.55 -0.06 0.00 0.02 0.00 0.00 54.97 54.27 1qkc s GLU 279 Cb -0.14 -1.31 0.07 0.00 0.10 0.00 0.00 34.13 32.85 1qkc s GLU 279 CO 0.03 0.28 0.32 0.15 0.02 0.00 0.00 175.26 176.06 1qkc s LYS 280 N -0.17 0.22 -0.11 1.61 1.02 -0.95 -0.72 119.74 120.64 1qkc s LYS 280 Ca 0.02 0.84 -0.08 0.00 0.02 0.00 0.00 55.97 56.76 1qkc s LYS 280 Cb -0.08 0.08 0.04 0.00 -0.52 0.00 0.00 37.83 37.35 1qkc s LYS 280 CO 0.00 -0.26 0.27 0.00 -0.92 0.00 0.00 175.35 174.44 1qkc s MET 281 N 2.39 0.28 0.00 1.68 0.23 -0.95 -0.72 119.30 122.22 1qkc s MET 281 Ca -0.01 0.47 0.04 0.00 -1.03 0.00 0.00 55.69 55.16 1qkc s MET 281 Cb -0.12 0.04 -0.01 0.00 -1.53 0.00 0.00 34.83 33.21 1qkc s MET 281 CO -0.10 -0.10 -0.11 0.14 -2.03 0.00 0.00 175.02 172.82 1qkc s VAL 282 N 0.67 0.88 0.00 5.16 -7.23 -0.22 -2.19 120.40 117.48 1qkc s VAL 282 Ca -0.04 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 1qkc s VAL 282 Cb -0.06 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.12 1qkc s VAL 282 CO -0.04 0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 1qkc n GLY 283 N 2.60 0.93 3.49 2.32 0.00 -0.80 -0.13 105.19 113.60 1qkc n GLY 283 Ca -0.15 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 1qkc n GLY 283 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qkc s TYR 284 N -3.56 -0.44 -0.06 1.61 -0.85 0.97 -0.56 117.35 114.46 1qkc s TYR 284 Ca 0.00 0.40 0.06 0.00 -0.52 0.00 0.00 57.07 57.00 1qkc s TYR 284 Cb 0.00 0.52 -0.01 0.00 0.38 0.00 0.00 41.96 42.85 1qkc s TYR 284 CO 0.00 -0.62 -0.23 0.45 -1.52 0.00 0.00 175.55 173.62 1qkc s SER 285 N -2.27 2.90 -0.13 -0.18 0.15 0.14 -1.02 113.70 113.29 1qkc s SER 285 Ca 0.01 -0.49 -0.08 0.00 0.70 0.00 0.00 55.95 56.09 1qkc s SER 285 Cb -0.01 -0.85 0.05 0.00 -1.71 0.00 0.00 66.02 63.50 1qkc s SER 285 CO -0.07 0.22 0.32 0.12 1.20 0.00 0.00 173.24 175.03 1qkc s PHE 286 N -0.08 -0.42 0.14 3.44 5.36 -0.50 -0.28 117.98 125.64 1qkc s PHE 286 Ca -0.05 0.97 0.07 0.00 -0.96 0.00 0.00 56.93 56.96 1qkc s PHE 286 Cb -0.14 0.14 -0.04 0.00 -0.34 0.00 0.00 43.02 42.64 1qkc s PHE 286 CO 0.04 -0.25 -0.17 0.16 -1.46 0.00 0.00 175.22 173.54 1qkc s ASP 287 N 0.97 2.39 -0.18 6.13 1.47 0.55 0.04 116.67 128.05 1qkc s ASP 287 Ca -0.07 -0.83 -0.11 0.00 1.18 0.00 0.00 52.55 52.72 1qkc s ASP 287 Cb -0.07 -0.12 0.06 0.00 -0.34 0.00 0.00 42.92 42.44 1qkc s ASP 287 CO -0.07 -0.07 0.44 -2.28 0.68 0.00 0.00 175.17 173.86 1qkc s HIS 288 N -2.02 -0.60 -0.24 2.11 2.46 0.91 -0.48 115.29 117.44 1qkc s HIS 288 Ca 0.12 1.32 -0.06 0.00 0.47 0.00 0.00 55.06 56.90 1qkc s HIS 288 Cb -0.06 0.26 -0.02 0.00 -0.13 0.00 0.00 32.58 32.63 1qkc s HIS 288 CO 0.05 -0.33 0.04 -2.00 -2.47 0.00 0.00 174.74 170.03 1qkc s GLU 289 N 1.11 3.58 -0.12 2.88 2.12 0.32 0.89 118.70 129.48 1qkc s GLU 289 Ca -0.07 -0.52 -0.15 0.00 0.36 0.00 0.00 54.97 54.59 1qkc s GLU 289 Cb -0.07 -3.23 -0.26 0.00 0.26 0.00 0.00 34.13 30.83 1qkc s GLU 289 CO -0.10 -0.18 0.49 0.74 -0.54 0.00 0.00 175.26 175.67 1qkc h PHE 290 N 8.18 0.40 0.00 5.30 0.04 -1.58 -3.45 116.94 125.82 1qkc h PHE 290 Ca -0.39 -0.29 0.00 0.00 2.80 0.00 0.00 57.97 60.09 1qkc h PHE 290 Cb 1.17 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1qkc h PHE 290 CO 0.65 1.58 0.00 0.27 -0.60 0.00 0.00 178.31 180.21 1qkc n ASN 291 N -3.91 2.42 -0.04 2.17 0.23 -1.19 -5.04 115.26 109.90 1qkc n ASN 291 Ca -0.27 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 53.90 1qkc n ASN 291 Cb 0.90 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.76 1qkc n ASN 291 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1qkc n ASP 292 N 0.00 0.72 0.00 0.53 8.00 -1.26 -4.46 116.55 120.07 1qkc n ASP 292 Ca 0.00 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.97 1qkc n ASP 292 Cb 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1qkc n ASP 292 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1qkc n THR 293 N -1.38 0.00 -5.20 -3.53 5.66 -1.26 -4.74 114.28 103.83 1qkc n THR 293 Ca 0.06 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.74 1qkc n THR 293 Cb 0.34 0.18 -0.17 0.00 -1.55 0.00 0.00 70.33 69.13 1qkc n THR 293 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1qkc s PHE 294 N -1.62 2.51 -0.01 1.09 0.08 -1.26 0.59 117.98 119.36 1qkc s PHE 294 Ca 0.00 -1.01 0.01 0.00 0.12 0.00 0.00 56.93 56.05 1qkc s PHE 294 Cb 0.00 -1.68 0.01 0.00 -0.57 0.00 0.00 43.02 40.78 1qkc s PHE 294 CO 0.00 -0.40 -0.03 0.95 -0.10 0.00 0.00 175.22 175.64 1qkc s THR 295 N 0.32 0.30 0.00 0.64 -4.23 -1.11 -1.57 115.64 109.98 1qkc s THR 295 Ca -0.18 -0.10 0.08 0.00 -1.18 0.00 0.00 61.69 60.31 1qkc s THR 295 Cb -0.18 -0.29 -0.02 0.00 1.34 0.00 0.00 72.50 73.35 1qkc s THR 295 CO 0.08 0.11 -0.25 0.54 -0.54 0.00 0.00 174.62 174.57 1qkc s VAL 296 N 0.27 1.97 0.01 2.29 0.11 0.26 -1.57 120.40 123.73 1qkc s VAL 296 Ca -0.03 -1.14 0.01 0.00 -2.93 0.00 0.00 61.98 57.89 1qkc s VAL 296 Cb -0.06 -1.65 -0.01 0.00 -1.53 0.00 0.00 36.38 33.14 1qkc s VAL 296 CO -0.00 0.48 -0.04 0.00 -3.33 0.00 0.00 175.10 172.21 1qkc s ARG 297 N -0.78 0.31 -0.03 1.54 1.70 -0.53 -0.06 118.95 121.11 1qkc s ARG 297 Ca 0.10 -0.27 0.00 0.00 -0.47 0.00 0.00 55.73 55.09 1qkc s ARG 297 Cb -0.10 -0.22 0.03 0.00 -0.57 0.00 0.00 34.95 34.10 1qkc s ARG 297 CO -0.00 0.05 0.01 -1.14 -1.08 0.00 0.00 175.30 173.14 1qkc s GLN 298 N -0.46 0.20 -0.08 3.89 0.74 0.11 -0.70 119.66 123.35 1qkc s GLN 298 Ca -0.02 0.11 0.02 0.00 0.05 0.00 0.00 55.36 55.52 1qkc s GLN 298 Cb -0.04 -0.41 -0.02 0.00 1.10 0.00 0.00 33.01 33.64 1qkc s GLN 298 CO -0.00 -0.15 -0.12 -0.80 -0.55 0.00 0.00 175.29 173.67 1qkc s ASN 299 N 1.05 4.17 -0.13 6.67 0.01 0.13 -1.41 114.94 125.42 1qkc s ASN 299 Ca -0.09 -0.20 -0.11 0.00 -0.71 0.00 0.00 52.86 51.75 1qkc s ASN 299 Cb -0.13 -1.15 0.04 0.00 0.41 0.00 0.00 41.25 40.41 1qkc s ASN 299 CO -0.02 0.29 0.34 -0.22 -1.51 0.00 0.00 177.10 175.98 1qkc s LEU 300 N -0.41 0.59 -0.15 0.60 0.20 -0.19 -0.09 118.68 119.24 1qkc s LEU 300 Ca 0.05 0.70 -0.12 0.00 0.69 0.00 0.00 54.13 55.45 1qkc s LEU 300 Cb -0.12 1.16 0.04 0.00 -0.43 0.00 0.00 46.19 46.84 1qkc s LEU 300 CO 0.02 -0.13 0.39 -0.60 -0.29 0.00 0.00 176.35 175.74 1qkc s ARG 301 N 0.39 0.43 0.07 1.98 3.52 0.09 -0.02 118.95 125.41 1qkc s ARG 301 Ca -0.02 0.61 0.09 0.00 -0.13 0.00 0.00 55.73 56.28 1qkc s ARG 301 Cb -0.04 0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.46 1qkc s ARG 301 CO -0.02 -0.09 -0.24 0.12 -0.81 0.00 0.00 175.30 174.27 1qkc s PHE 302 N 0.57 2.40 -0.05 5.12 5.36 0.82 -0.08 117.98 132.13 1qkc s PHE 302 Ca -0.03 -0.35 -0.27 0.00 -0.96 0.00 0.00 56.93 55.32 1qkc s PHE 302 Cb -0.05 -1.38 0.06 0.00 -0.34 0.00 0.00 43.02 41.31 1qkc s PHE 302 CO -0.03 0.23 0.59 0.00 -1.46 0.00 0.00 175.22 174.54 1qkc s ALA 303 N -0.92 -1.52 -0.07 11.12 0.00 0.63 -1.05 121.76 129.95 1qkc s ALA 303 Ca 0.14 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.19 1qkc s ALA 303 Cb -0.10 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1qkc s ALA 303 CO 0.04 -0.34 -0.06 -2.00 0.00 0.00 0.00 175.76 173.41 1qkc s GLU 304 N -1.18 1.08 0.05 0.00 2.12 0.11 -0.05 118.70 120.82 1qkc s GLU 304 Ca -0.11 -0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.11 1qkc s GLU 304 Cb -0.01 -1.10 -0.02 0.00 0.26 0.00 0.00 34.13 33.25 1qkc s GLU 304 CO 0.08 -0.13 -0.13 -0.80 -0.54 0.00 0.00 175.26 173.74 1qkc s ASN 305 N 1.20 1.47 0.07 -1.70 0.01 0.25 -2.23 114.94 114.01 1qkc s ASN 305 Ca -0.06 -0.49 0.02 0.00 -0.71 0.00 0.00 52.86 51.62 1qkc s ASN 305 Cb -0.14 -0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.42 1qkc s ASN 305 CO -0.02 -0.03 -0.07 -0.54 -1.51 0.00 0.00 177.10 174.93 1qkc s LYS 306 N -1.30 0.70 -0.16 -0.60 1.02 0.10 -0.58 119.74 118.92 1qkc s LYS 306 Ca -0.01 -1.07 -0.16 0.00 0.02 0.00 0.00 55.97 54.75 1qkc s LYS 306 Cb -0.08 -0.25 0.04 0.00 -0.52 0.00 0.00 37.83 37.02 1qkc s LYS 306 CO 0.01 0.02 0.44 -0.08 -0.92 0.00 0.00 175.35 174.82 1qkc s THR 307 N -2.58 0.00 0.05 2.17 -1.32 -1.23 0.15 115.64 112.89 1qkc s THR 307 Ca 0.02 -0.03 0.01 0.00 -1.21 0.00 0.00 61.69 60.48 1qkc s THR 307 Cb -0.02 -0.63 -0.03 0.00 -1.51 0.00 0.00 72.50 70.31 1qkc s THR 307 CO -0.02 -0.01 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.38 1qkc s SER 308 N 0.12 0.66 -0.01 8.08 1.04 -0.00 -0.22 113.70 123.36 1qkc s SER 308 Ca -0.01 -0.71 -0.29 0.00 0.48 0.00 0.00 55.95 55.42 1qkc s SER 308 Cb -0.03 0.10 0.08 0.00 0.10 0.00 0.00 66.02 66.27 1qkc s SER 308 CO 0.01 -0.36 0.72 0.00 0.98 0.00 0.00 173.24 174.59 1qkc s GLN 309 N -2.42 1.03 -0.30 4.02 -2.07 0.04 -0.67 119.66 119.29 1qkc s GLN 309 Ca -0.04 0.03 -0.00 0.00 -1.82 0.00 0.00 55.36 53.52 1qkc s GLN 309 Cb -0.04 0.48 0.10 0.00 -1.09 0.00 0.00 33.01 32.46 1qkc s GLN 309 CO -0.03 -0.37 0.08 -0.80 -1.32 0.00 0.00 175.29 172.85 1qkc s ASN 310 N -1.65 4.04 0.02 12.60 0.02 0.32 0.06 114.94 130.34 1qkc s ASN 310 Ca -0.06 -1.62 0.01 0.00 -1.02 0.00 0.00 52.86 50.17 1qkc s ASN 310 Cb -0.00 -0.94 -0.01 0.00 0.02 0.00 0.00 41.25 40.31 1qkc s ASN 310 CO 0.02 -0.40 -0.04 -0.44 0.02 0.00 0.00 177.10 176.26 1qkc s SER 311 N 1.55 0.47 -0.33 -1.22 0.01 0.25 0.01 113.70 114.44 1qkc s SER 311 Ca 0.09 -0.31 -0.03 0.00 1.31 0.00 0.00 55.95 57.00 1qkc s SER 311 Cb -0.17 0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.13 1qkc s SER 311 CO -0.22 -0.12 0.07 -0.69 0.41 0.00 0.00 173.24 172.70 1qkc s VAL 312 N -0.79 3.28 0.32 3.43 1.01 -1.26 0.33 120.40 126.72 1qkc s VAL 312 Ca -0.06 -1.43 0.03 0.00 0.00 0.00 0.00 61.98 60.52 1qkc s VAL 312 Cb -0.06 -2.95 0.06 0.00 0.00 0.00 0.00 36.38 33.43 1qkc s VAL 312 CO -0.00 -0.24 0.44 0.00 0.00 0.00 0.00 175.10 175.30 1qkc n TYR 313 N 4.67 -2.81 -4.43 5.22 4.11 -0.78 -3.84 117.16 119.31 1qkc n TYR 313 Ca -0.11 -1.02 -0.26 0.00 -0.00 0.00 0.00 57.90 56.52 1qkc n TYR 313 Cb 0.43 -0.31 -0.11 0.00 -0.00 0.00 0.00 39.34 39.36 1qkc n TYR 313 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1qkc s GLY 314 N -3.47 1.77 0.12 -7.48 0.00 -1.25 -3.20 107.32 93.81 1qkc s GLY 314 Ca 0.32 -1.71 0.10 0.00 0.00 0.00 0.00 44.72 43.43 1qkc s GLY 314 CO 0.20 -1.76 -0.26 -0.47 0.00 0.00 0.00 173.10 170.82 1qkc s TYR 315 N -1.95 2.20 0.10 1.90 5.04 -0.43 -4.46 117.35 119.75 1qkc s TYR 315 Ca 0.24 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 1qkc s TYR 315 Cb -0.07 -1.19 0.00 0.00 0.35 0.00 0.00 41.96 41.05 1qkc s TYR 315 CO 0.12 0.31 0.00 0.41 -1.34 0.00 0.00 175.55 175.05 1qkc n GLY 316 N 0.95 0.00 3.81 8.97 0.00 -1.26 -3.22 105.19 114.44 1qkc n GLY 316 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1qkc n GLY 316 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qkc s VAL 317 N -0.41 3.97 0.57 1.61 -7.23 -1.26 -1.92 120.40 115.73 1qkc s VAL 317 Ca 0.00 0.84 0.29 0.00 -1.81 0.00 0.00 61.98 61.30 1qkc s VAL 317 Cb 0.00 -3.44 0.41 0.00 0.56 0.00 0.00 36.38 33.92 1qkc s VAL 317 CO 0.00 -0.64 1.90 0.00 -0.31 0.00 0.00 175.10 176.05 1qkc n SER 319 N -3.95 0.39 -4.75 0.00 3.41 0.11 -4.77 113.62 104.05 1qkc n SER 319 Ca 0.12 -1.61 -0.39 0.00 -0.26 0.00 0.00 58.87 56.72 1qkc n SER 319 Cb 0.76 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.62 1qkc n SER 319 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qkc s ASP 320 N -1.43 7.03 0.36 4.04 -1.08 0.27 -4.95 116.67 120.90 1qkc s ASP 320 Ca 0.23 1.23 0.17 0.00 -0.52 0.00 0.00 52.55 53.66 1qkc s ASP 320 Cb 0.11 -2.39 1.15 0.00 -1.46 0.00 0.00 42.92 40.32 1qkc s ASP 320 CO 0.18 0.06 1.66 1.55 0.52 0.00 0.00 175.17 179.14 1qkc h PRO 321 N 5.76 0.27 -0.73 4.34 0.13 -1.88 -0.46 132.00 139.43 1qkc h PRO 321 Ca -0.44 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.76 1qkc h PRO 321 Cb 1.20 -0.06 -0.07 0.00 0.13 0.00 0.00 31.00 32.20 1qkc h PRO 321 CO 0.71 0.18 0.38 0.00 -0.23 0.00 0.00 178.00 179.03 1qkc h ALA 322 N 1.82 1.02 -0.01 -0.56 0.00 -1.92 -0.23 119.26 119.38 1qkc h ALA 322 Ca 0.74 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.70 1qkc h ALA 322 Cb 1.80 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1qkc h ALA 322 CO -0.58 -0.02 0.00 0.09 0.00 0.00 0.00 179.25 178.74 1qkc n ASN 323 N -4.84 0.90 -0.30 0.00 3.02 -0.18 -4.35 115.26 109.50 1qkc n ASN 323 Ca 0.11 -2.01 0.12 0.00 -0.03 0.00 0.00 54.58 52.77 1qkc n ASN 323 Cb 0.27 -0.42 0.28 0.00 -0.61 0.00 0.00 39.78 39.30 1qkc n ASN 323 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qkc h ALA 324 N 2.19 1.36 -0.56 5.41 0.00 -1.09 0.69 119.26 127.25 1qkc h ALA 324 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1qkc h ALA 324 Cb 0.44 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1qkc h ALA 324 CO 0.01 -0.32 0.10 0.66 0.00 0.00 0.00 179.25 179.70 1qkc n TYR 325 N -5.04 1.94 -2.99 0.00 4.01 -1.26 -4.92 117.16 108.90 1qkc n TYR 325 Ca 0.21 -0.80 -0.41 0.00 -0.16 0.00 0.00 57.90 56.73 1qkc n TYR 325 Cb 0.61 -0.53 -0.05 0.00 -0.31 0.00 0.00 39.34 39.06 1qkc n TYR 325 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1qkc s SER 326 N -0.72 6.83 -0.02 7.72 0.15 0.23 -4.96 113.70 122.93 1qkc s SER 326 Ca 0.47 1.02 -0.20 0.00 0.70 0.00 0.00 55.95 57.94 1qkc s SER 326 Cb 0.37 -2.41 -0.11 0.00 -1.71 0.00 0.00 66.02 62.16 1qkc s SER 326 CO 0.13 -0.35 0.83 0.11 1.20 0.00 0.00 173.24 175.16 1qkc h LYS 327 N 7.41 -0.66 -1.34 5.44 1.57 -1.91 -0.86 116.57 126.23 1qkc h LYS 327 Ca -0.30 0.04 0.43 0.00 -1.87 0.00 0.00 60.65 58.96 1qkc h LYS 327 Cb 1.13 0.15 -0.12 0.00 0.08 0.00 0.00 32.23 33.47 1qkc h LYS 327 CO 0.81 -0.42 0.87 1.96 -0.57 0.00 0.00 179.45 182.10 1qkc h GLN 328 N -1.16 0.09 0.16 3.15 4.20 -1.95 0.16 115.11 119.75 1qkc h GLN 328 Ca -0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1qkc h GLN 328 Cb 0.54 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1qkc h GLN 328 CO 0.11 0.06 -0.07 0.00 -0.67 0.00 0.00 178.83 178.26 1qkc n ALA 330 N -2.45 7.36 -1.98 0.00 0.00 0.57 -2.81 120.51 121.19 1qkc n ALA 330 Ca -0.09 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.15 1qkc n ALA 330 Cb 0.26 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 16.53 1qkc n ALA 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qkc n ALA 331 N 3.37 1.89 -2.52 0.00 0.00 -1.19 -4.92 120.51 117.15 1qkc n ALA 331 Ca 0.72 -0.16 -0.25 0.00 0.00 0.00 0.00 53.44 53.76 1qkc n ALA 331 Cb 0.36 -0.07 -0.13 0.00 0.00 0.00 0.00 19.45 19.61 1qkc n ALA 331 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qkc s LEU 332 N 0.00 2.31 -0.26 0.00 1.43 -1.12 -5.07 118.68 115.96 1qkc s LEU 332 Ca 0.00 -0.70 -0.39 0.00 -1.03 0.00 0.00 54.13 52.01 1qkc s LEU 332 Cb 0.00 -0.93 -0.15 0.00 0.03 0.00 0.00 46.19 45.14 1qkc s LEU 332 CO 0.00 0.07 1.81 0.00 0.23 0.00 0.00 176.35 178.47 1qkc n ALA 333 N 1.04 0.10 0.14 4.21 0.00 -1.26 -4.69 120.51 120.05 1qkc n ALA 333 Ca -0.19 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1qkc n ALA 333 Cb 0.54 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1qkc n ALA 333 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1qkc n PRO 334 N 5.86 0.01 -1.70 0.00 -0.02 -1.26 0.35 135.00 138.25 1qkc n PRO 334 Ca 0.27 0.41 -0.13 0.00 -2.02 0.00 0.00 63.50 62.04 1qkc n PRO 334 Cb 0.16 -1.44 0.07 0.00 -0.02 0.00 0.00 33.50 32.28 1qkc n PRO 334 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qkc n ALA 335 N -0.96 4.33 0.00 3.55 0.00 -1.26 -4.46 120.51 121.70 1qkc n ALA 335 Ca 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 53.44 49.93 1qkc n ALA 335 Cb 0.52 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1qkc n ALA 335 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qkc n ASP 336 N -0.76 0.97 0.23 0.00 9.92 1.10 -4.79 116.55 123.22 1qkc n ASP 336 Ca 0.32 -0.17 0.09 0.00 -0.53 0.00 0.00 54.79 54.51 1qkc n ASP 336 Cb 0.89 0.53 0.54 0.00 -0.64 0.00 0.00 41.12 42.44 1qkc n ASP 336 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1qkc h LYS 337 N 0.00 0.00 -0.13 -1.24 1.57 -1.77 -3.01 116.57 111.99 1qkc h LYS 337 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qkc h LYS 337 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1qkc h LYS 337 CO 0.00 0.23 0.00 0.41 -0.57 0.00 0.00 179.45 179.52 1qkc n GLY 338 N -0.38 -0.41 0.04 3.86 0.00 -1.26 0.04 105.19 107.07 1qkc n GLY 338 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1qkc n GLY 338 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1qkc n HIS 339 N -0.14 0.00 -4.54 1.61 1.44 -1.14 -4.40 115.22 108.05 1qkc n HIS 339 Ca 0.04 -0.14 -0.30 0.00 -2.01 0.00 0.00 57.72 55.31 1qkc n HIS 339 Cb 0.10 -0.02 -0.12 0.00 0.12 0.00 0.00 29.99 30.07 1qkc n HIS 339 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1qkc s TYR 340 N -0.30 2.51 -0.10 -1.40 2.02 -1.22 -2.07 117.35 116.80 1qkc s TYR 340 Ca 0.01 -0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 56.41 1qkc s TYR 340 Cb 0.01 -1.40 -0.03 0.00 -0.40 0.00 0.00 41.96 40.13 1qkc s TYR 340 CO 0.00 0.29 -0.02 -1.17 -1.57 0.00 0.00 175.55 173.09 1qkc s LEU 341 N -1.70 3.44 0.07 -1.29 2.96 0.13 -0.35 118.68 121.95 1qkc s LEU 341 Ca 0.15 0.06 -0.09 0.00 -0.22 0.00 0.00 54.13 54.04 1qkc s LEU 341 Cb -0.10 -1.79 -0.06 0.00 0.50 0.00 0.00 46.19 44.74 1qkc s LEU 341 CO 0.07 0.33 0.37 0.00 -1.32 0.00 0.00 176.35 175.80 1qkc s ALA 342 N -0.60 3.75 0.09 5.97 0.00 -0.81 -0.89 121.76 129.28 1qkc s ALA 342 Ca 0.10 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1qkc s ALA 342 Cb -0.12 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 1qkc s ALA 342 CO 0.02 0.59 -0.06 1.03 0.00 0.00 0.00 175.76 177.35 1qkc s ARG 343 N -1.97 0.80 0.27 0.00 0.52 -1.26 -1.32 118.95 115.98 1qkc s ARG 343 Ca 0.33 -1.32 0.02 0.00 -0.52 0.00 0.00 55.73 54.25 1qkc s ARG 343 Cb -0.14 -0.12 -0.04 0.00 0.52 0.00 0.00 34.95 35.17 1qkc s ARG 343 CO 0.18 -0.04 0.16 0.15 0.02 0.00 0.00 175.30 175.78 1qkc s LYS 344 N -3.85 1.48 0.32 3.54 1.02 -1.20 -3.93 119.74 117.12 1qkc s LYS 344 Ca 0.11 -1.82 0.01 0.00 0.02 0.00 0.00 55.97 54.29 1qkc s LYS 344 Cb 0.06 0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.43 1qkc s LYS 344 CO -0.06 -0.45 0.38 1.52 -0.92 0.00 0.00 175.35 175.82 1qkc s TYR 345 N -3.77 1.30 -0.27 3.18 -0.85 -1.24 -1.87 117.35 113.83 1qkc s TYR 345 Ca 0.38 -1.42 -0.25 0.00 -0.52 0.00 0.00 57.07 55.26 1qkc s TYR 345 Cb 0.05 -0.34 0.09 0.00 0.38 0.00 0.00 41.96 42.14 1qkc s TYR 345 CO 0.17 -1.00 0.81 0.54 -1.52 0.00 0.00 175.55 174.55 1qkc s VAL 346 N -3.31 0.00 -0.15 -3.49 0.11 0.15 -0.10 120.40 113.60 1qkc s VAL 346 Ca 0.35 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.41 1qkc s VAL 346 Cb 0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1qkc s VAL 346 CO 0.22 0.00 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.12 1qkc s VAL 347 N 0.32 2.39 0.14 2.04 1.01 0.90 -0.58 120.40 126.62 1qkc s VAL 347 Ca 0.01 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.17 1qkc s VAL 347 Cb -0.05 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1qkc s VAL 347 CO -0.01 0.53 -0.11 -0.62 0.00 0.00 0.00 175.10 174.89 1qkc s ASP 348 N 0.88 1.77 -0.29 3.32 2.15 0.11 0.10 116.67 124.71 1qkc s ASP 348 Ca -0.05 -0.96 -0.04 0.00 0.43 0.00 0.00 52.55 51.93 1qkc s ASP 348 Cb -0.15 -0.01 0.19 0.00 -0.30 0.00 0.00 42.92 42.64 1qkc s ASP 348 CO -0.02 -0.30 0.85 -0.62 -0.17 0.00 0.00 175.17 174.90 1qkc s ASP 349 N -2.99 -0.95 0.48 -0.34 -1.08 -1.10 -0.78 116.67 109.91 1qkc s ASP 349 Ca 0.14 0.17 0.02 0.00 -0.52 0.00 0.00 52.55 52.37 1qkc s ASP 349 Cb 0.01 1.63 0.02 0.00 -1.46 0.00 0.00 42.92 43.12 1qkc s ASP 349 CO 0.01 -0.17 0.17 -0.62 0.52 0.00 0.00 175.17 175.08 1qkc n GLU 350 N 5.28 0.83 -3.55 4.34 1.02 0.69 -2.74 120.64 126.50 1qkc n GLU 350 Ca 0.06 -3.23 0.02 0.00 -0.02 0.00 0.00 57.16 53.99 1qkc n GLU 350 Cb 0.56 0.63 -0.06 0.00 -0.02 0.00 0.00 31.44 32.55 1qkc n GLU 350 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1qkc s LYS 351 N -3.84 0.07 0.03 3.49 2.20 -0.97 -3.50 119.74 117.23 1qkc s LYS 351 Ca 0.13 0.12 -0.01 0.00 -0.36 0.00 0.00 55.97 55.86 1qkc s LYS 351 Cb -0.01 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 1qkc s LYS 351 CO 0.08 -0.02 -0.02 -0.48 -0.36 0.00 0.00 175.35 174.56 1qkc s LEU 352 N 1.29 2.29 0.11 5.43 0.05 0.26 -0.61 118.68 127.51 1qkc s LEU 352 Ca -0.06 -0.70 0.09 0.00 0.05 0.00 0.00 54.13 53.51 1qkc s LEU 352 Cb -0.02 0.19 -0.04 0.00 -2.05 0.00 0.00 46.19 44.27 1qkc s LEU 352 CO -0.11 -0.44 -0.18 0.00 -0.55 0.00 0.00 176.35 175.06 1qkc s GLN 353 N -2.54 1.78 -0.21 1.48 0.00 -0.58 -0.59 119.66 119.00 1qkc s GLN 353 Ca -0.06 -1.18 -0.04 0.00 -0.00 0.00 0.00 55.36 54.08 1qkc s GLN 353 Cb -0.02 -2.11 0.11 0.00 0.00 0.00 0.00 33.01 30.99 1qkc s GLN 353 CO -0.05 0.48 0.29 1.21 0.00 0.00 0.00 175.29 177.22 1qkc s ASN 354 N -2.12 0.82 -0.07 12.60 3.04 0.93 -1.75 114.94 128.40 1qkc s ASN 354 Ca 0.18 0.05 0.02 0.00 0.04 0.00 0.00 52.86 53.14 1qkc s ASN 354 Cb -0.11 0.70 -0.02 0.00 -1.54 0.00 0.00 41.25 40.29 1qkc s ASN 354 CO 0.10 -0.31 -0.13 0.12 -3.04 0.00 0.00 177.10 173.85 1qkc s PHE 355 N 2.42 2.77 -0.01 0.43 5.36 -1.00 -0.27 117.98 127.68 1qkc s PHE 355 Ca 0.08 -0.23 -0.05 0.00 -0.96 0.00 0.00 56.93 55.77 1qkc s PHE 355 Cb -0.15 -1.70 0.00 0.00 -0.34 0.00 0.00 43.02 40.83 1qkc s PHE 355 CO -0.13 0.12 0.10 -1.12 -1.46 0.00 0.00 175.22 172.74 1qkc s SER 356 N -0.49 0.00 -0.17 6.13 0.01 0.88 -2.20 113.70 117.87 1qkc s SER 356 Ca 0.07 -0.09 -0.11 0.00 1.31 0.00 0.00 55.95 57.13 1qkc s SER 356 Cb -0.12 0.20 0.05 0.00 0.21 0.00 0.00 66.02 66.37 1qkc s SER 356 CO 0.02 -0.24 0.41 0.68 0.41 0.00 0.00 173.24 174.52 1qkc s VAL 357 N -0.86 -0.02 -0.04 3.43 -7.23 -0.14 -0.73 120.40 114.81 1qkc s VAL 357 Ca -0.09 0.07 0.04 0.00 -1.81 0.00 0.00 61.98 60.18 1qkc s VAL 357 Cb -0.05 -0.61 -0.00 0.00 0.56 0.00 0.00 36.38 36.28 1qkc s VAL 357 CO 0.01 0.03 -0.16 -0.62 -0.31 0.00 0.00 175.10 174.05 1qkc s ASP 358 N 1.10 2.02 -0.02 4.85 2.15 0.87 -0.69 116.67 126.94 1qkc s ASP 358 Ca -0.07 -0.33 0.01 0.00 0.43 0.00 0.00 52.55 52.59 1qkc s ASP 358 Cb -0.07 -0.60 0.01 0.00 -0.30 0.00 0.00 42.92 41.96 1qkc s ASP 358 CO -0.09 0.13 -0.04 -0.89 -0.17 0.00 0.00 175.17 174.11 1qkc s THR 359 N 0.12 0.44 -0.11 1.71 2.01 -0.59 0.17 115.64 119.38 1qkc s THR 359 Ca -0.05 -0.14 -0.14 0.00 0.31 0.00 0.00 61.69 61.66 1qkc s THR 359 Cb -0.12 -0.43 0.04 0.00 0.01 0.00 0.00 72.50 72.00 1qkc s THR 359 CO 0.02 0.17 0.38 0.00 -0.69 0.00 0.00 174.62 174.50 1qkc s GLN 360 N 0.45 0.52 -0.16 4.92 -2.07 0.13 -1.51 119.66 121.94 1qkc s GLN 360 Ca -0.05 0.36 -0.03 0.00 -1.82 0.00 0.00 55.36 53.82 1qkc s GLN 360 Cb -0.09 0.25 -0.02 0.00 -1.09 0.00 0.00 33.01 32.06 1qkc s GLN 360 CO -0.00 -0.09 -0.06 -1.17 -1.32 0.00 0.00 175.29 172.65 1qkc s LEU 361 N -0.20 3.11 -0.21 2.60 2.96 0.13 -1.45 118.68 125.62 1qkc s LEU 361 Ca -0.04 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 1qkc s LEU 361 Cb -0.03 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1qkc s LEU 361 CO 0.02 0.15 0.03 -1.58 -1.32 0.00 0.00 176.35 173.65 1qkc s GLN 362 N 0.48 3.70 -0.25 1.98 0.74 -0.61 -2.03 119.66 123.67 1qkc s GLN 362 Ca -0.05 -0.47 -0.02 0.00 0.05 0.00 0.00 55.36 54.87 1qkc s GLN 362 Cb -0.15 -3.17 0.02 0.00 1.10 0.00 0.00 33.01 30.82 1qkc s GLN 362 CO 0.03 0.02 -0.05 -1.12 -0.55 0.00 0.00 175.29 173.62 1qkc s SER 363 N 1.02 4.34 -0.35 6.67 0.01 0.53 -2.74 113.70 123.18 1qkc s SER 363 Ca 0.03 -0.84 -0.10 0.00 1.31 0.00 0.00 55.95 56.36 1qkc s SER 363 Cb -0.14 -1.68 0.02 0.00 0.21 0.00 0.00 66.02 64.43 1qkc s SER 363 CO 0.02 -0.12 0.17 -0.54 0.41 0.00 0.00 173.24 173.18 1qkc s LYS 364 N 1.34 2.93 0.30 12.44 -0.14 0.20 -0.92 119.74 135.89 1qkc s LYS 364 Ca 0.01 -1.00 -0.18 0.00 -1.36 0.00 0.00 55.97 53.44 1qkc s LYS 364 Cb -0.16 -3.62 0.02 0.00 -1.68 0.00 0.00 37.83 32.39 1qkc s LYS 364 CO -0.04 -0.61 0.69 -0.59 -0.76 0.00 0.00 175.35 174.04 1qkc s PHE 365 N 1.54 0.00 0.09 3.18 -0.12 -0.92 -4.27 117.98 117.49 1qkc s PHE 365 Ca 0.02 -0.49 0.01 0.00 -0.05 0.00 0.00 56.93 56.42 1qkc s PHE 365 Cb -0.19 0.64 -0.00 0.00 -0.63 0.00 0.00 43.02 42.84 1qkc s PHE 365 CO 0.06 -1.28 0.04 0.00 -0.05 0.00 0.00 175.22 173.98 1qkc n ALA 366 N -0.47 0.13 -2.93 1.99 0.00 -1.26 0.11 120.51 118.09 1qkc n ALA 366 Ca -0.04 -0.48 0.02 0.00 0.00 0.00 0.00 53.44 52.93 1qkc n ALA 366 Cb 0.60 0.33 0.00 0.00 0.00 0.00 0.00 19.45 20.37 1qkc n ALA 366 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1qkc s THR 367 N -1.91 -0.45 -0.30 0.00 -4.23 -0.94 -4.94 115.64 102.88 1qkc s THR 367 Ca 0.05 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.40 1qkc s THR 367 Cb 0.00 -0.05 0.02 0.00 1.34 0.00 0.00 72.50 73.82 1qkc s THR 367 CO 0.04 0.00 0.34 0.61 -0.54 0.00 0.00 174.62 175.06 1qkc n GLY 368 N 4.05 -1.11 4.46 3.99 0.00 -1.26 -2.64 105.19 112.67 1qkc n GLY 368 Ca 0.07 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1qkc n GLY 368 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qkc n ASP 369 N 0.37 0.00 -4.36 1.61 8.00 -1.26 -4.88 116.55 116.03 1qkc n ASP 369 Ca -0.00 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.05 1qkc n ASP 369 Cb 0.45 -1.05 -0.04 0.00 -0.02 0.00 0.00 41.12 40.46 1qkc n ASP 369 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qkc s ILE 370 N -1.49 5.07 0.05 0.53 1.01 -1.08 -4.43 121.20 120.85 1qkc s ILE 370 Ca 0.00 -1.47 -0.30 0.00 0.00 0.00 0.00 60.65 58.87 1qkc s ILE 370 Cb 0.00 -4.48 -0.05 0.00 0.01 0.00 0.00 42.46 37.94 1qkc s ILE 370 CO 0.00 -1.08 1.15 -1.81 0.00 0.00 0.00 174.94 173.20 1qkc s ASP 371 N 3.33 7.14 0.06 3.58 1.01 -0.57 -2.21 116.67 129.02 1qkc s ASP 371 Ca 0.13 1.94 0.07 0.00 0.71 0.00 0.00 52.55 55.40 1qkc s ASP 371 Cb -0.21 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.11 1qkc s ASP 371 CO 0.01 -0.42 -0.16 -1.00 0.21 0.00 0.00 175.17 173.81 1qkc s HIS 372 N 1.04 2.61 -0.38 4.23 3.76 0.30 -0.16 115.29 126.69 1qkc s HIS 372 Ca 0.57 -0.22 0.02 0.00 -0.15 0.00 0.00 55.06 55.28 1qkc s HIS 372 Cb -0.28 -1.45 0.15 0.00 1.11 0.00 0.00 32.58 32.12 1qkc s HIS 372 CO 0.29 0.31 0.28 0.99 -0.85 0.00 0.00 174.74 175.76 1qkc s THR 373 N -1.01 0.22 -0.21 1.30 2.01 -1.08 -2.17 115.64 114.69 1qkc s THR 373 Ca 0.16 -2.15 -0.13 0.00 0.31 0.00 0.00 61.69 59.88 1qkc s THR 373 Cb -0.11 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1qkc s THR 373 CO 0.08 -1.10 0.29 -0.22 -0.69 0.00 0.00 174.62 172.97 1qkc s LEU 374 N 0.59 4.15 -0.15 4.42 2.96 -0.10 0.14 118.68 130.69 1qkc s LEU 374 Ca 0.25 0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 54.48 1qkc s LEU 374 Cb -0.10 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 1qkc s LEU 374 CO -0.09 -0.00 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.65 1qkc s LEU 375 N 1.14 3.08 -0.05 -0.68 2.96 0.90 -0.35 118.68 125.68 1qkc s LEU 375 Ca 0.14 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1qkc s LEU 375 Cb -0.14 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.84 1qkc s LEU 375 CO 0.06 0.16 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.32 1qkc s THR 376 N 0.41 0.51 0.01 3.68 2.01 -0.86 -0.35 115.64 121.04 1qkc s THR 376 Ca -0.06 -0.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.59 1qkc s THR 376 Cb -0.15 -0.56 0.10 0.00 0.01 0.00 0.00 72.50 71.90 1qkc s THR 376 CO 0.04 0.23 0.82 -0.83 -0.69 0.00 0.00 174.62 174.19 1qkc s GLY 377 N 1.12 -0.48 -0.12 4.40 0.00 -0.60 -0.69 107.32 110.96 1qkc s GLY 377 Ca -0.08 1.06 0.01 0.00 0.00 0.00 0.00 44.72 45.71 1qkc s GLY 377 CO -0.01 0.44 -0.16 -1.34 0.00 0.00 0.00 173.10 172.03 1qkc s VAL 378 N -2.84 2.80 -0.13 1.40 -7.23 -0.57 -0.98 120.40 112.85 1qkc s VAL 378 Ca 0.02 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 1qkc s VAL 378 Cb -0.01 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 1qkc s VAL 378 CO -0.07 0.54 -0.17 -0.62 -0.31 0.00 0.00 175.10 174.47 1qkc s ASP 379 N 0.25 3.63 0.04 4.85 2.15 0.72 -1.55 116.67 126.77 1qkc s ASP 379 Ca -0.11 -0.44 0.02 0.00 0.43 0.00 0.00 52.55 52.45 1qkc s ASP 379 Cb -0.16 -1.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.90 1qkc s ASP 379 CO 0.06 0.13 -0.07 0.12 -0.17 0.00 0.00 175.17 175.24 1qkc s PHE 380 N 0.53 0.61 0.04 -5.34 5.36 0.13 0.80 117.98 120.12 1qkc s PHE 380 Ca -0.11 -0.50 -0.27 0.00 -0.96 0.00 0.00 56.93 55.09 1qkc s PHE 380 Cb -0.16 -0.37 0.09 0.00 -0.34 0.00 0.00 43.02 42.24 1qkc s PHE 380 CO 0.04 -0.10 0.78 0.00 -1.46 0.00 0.00 175.22 174.49 1qkc s MET 381 N -1.56 0.98 -0.07 10.12 0.23 0.85 -0.97 119.30 128.88 1qkc s MET 381 Ca -0.11 -0.32 -0.14 0.00 -1.03 0.00 0.00 55.69 54.09 1qkc s MET 381 Cb -0.10 0.45 0.03 0.00 -1.53 0.00 0.00 34.83 33.68 1qkc s MET 381 CO 0.00 -0.42 0.34 -0.98 -2.03 0.00 0.00 175.02 171.94 1qkc s ARG 382 N -3.17 0.58 -0.01 3.16 1.70 -0.94 -0.64 118.95 119.63 1qkc s ARG 382 Ca 0.03 0.11 -0.01 0.00 -0.47 0.00 0.00 55.73 55.39 1qkc s ARG 382 Cb -0.01 0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.64 1qkc s ARG 382 CO -0.09 -0.13 0.03 1.41 -1.08 0.00 0.00 175.30 175.44 1qkc s MET 383 N -0.70 0.03 -0.04 3.89 1.75 0.60 -2.37 119.30 122.46 1qkc s MET 383 Ca -0.08 0.06 0.00 0.00 -1.25 0.00 0.00 55.69 54.42 1qkc s MET 383 Cb -0.04 -0.00 0.02 0.00 2.84 0.00 0.00 34.83 37.65 1qkc s MET 383 CO 0.03 -0.02 -0.02 0.50 -0.65 0.00 0.00 175.02 174.86 1qkc s ARG 384 N 0.10 0.54 -0.08 4.11 3.52 -0.71 0.10 118.95 126.53 1qkc s ARG 384 Ca -0.01 0.01 0.02 0.00 -0.13 0.00 0.00 55.73 55.62 1qkc s ARG 384 Cb -0.01 -0.67 0.01 0.00 -1.56 0.00 0.00 34.95 32.72 1qkc s ARG 384 CO -0.00 -0.13 -0.14 1.21 -0.81 0.00 0.00 175.30 175.43 1qkc s ASN 385 N 1.07 2.05 -0.26 -2.12 2.47 0.03 -1.53 114.94 116.64 1qkc s ASN 385 Ca -0.09 -0.35 -0.02 0.00 0.42 0.00 0.00 52.86 52.82 1qkc s ASN 385 Cb -0.14 -0.93 0.03 0.00 -1.45 0.00 0.00 41.25 38.76 1qkc s ASN 385 CO -0.01 0.03 -0.04 -0.62 -3.72 0.00 0.00 177.10 172.74 1qkc s ASP 386 N 0.76 4.43 -0.09 -4.21 -1.08 0.22 -1.81 116.67 114.89 1qkc s ASP 386 Ca -0.12 -0.88 -0.02 0.00 -0.52 0.00 0.00 52.55 51.01 1qkc s ASP 386 Cb -0.16 -1.69 -0.03 0.00 -1.46 0.00 0.00 42.92 39.58 1qkc s ASP 386 CO 0.03 -0.14 -0.02 -0.63 0.52 0.00 0.00 175.17 174.93 1qkc s ILE 387 N 1.34 4.15 -0.33 4.11 1.01 -0.38 -2.29 121.20 128.80 1qkc s ILE 387 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1qkc s ILE 387 Cb -0.17 -2.74 0.14 0.00 0.01 0.00 0.00 42.46 39.70 1qkc s ILE 387 CO -0.04 0.59 0.29 0.21 0.00 0.00 0.00 174.94 175.99 1qkc s ASN 388 N -0.71 1.98 0.46 3.58 3.04 -1.11 -2.12 114.94 120.06 1qkc s ASN 388 Ca 0.11 -1.44 0.02 0.00 0.04 0.00 0.00 52.86 51.60 1qkc s ASN 388 Cb -0.12 0.24 -0.02 0.00 -1.54 0.00 0.00 41.25 39.81 1qkc s ASN 388 CO 0.02 -0.33 0.05 0.00 -3.04 0.00 0.00 177.10 173.80 1qkc s ALA 389 N 1.70 3.59 -0.09 1.71 0.00 0.13 -2.72 121.76 126.09 1qkc s ALA 389 Ca 0.14 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 1qkc s ALA 389 Cb -0.17 0.32 0.04 0.00 0.00 0.00 0.00 23.12 23.32 1qkc s ALA 389 CO -0.15 -0.15 0.21 -0.46 0.00 0.00 0.00 175.76 175.21 1qkc s TRP 390 N -3.01 -0.27 -0.06 0.00 -0.11 0.29 -0.95 118.94 114.83 1qkc s TRP 390 Ca 0.14 0.66 0.05 0.00 1.22 0.00 0.00 56.10 58.18 1qkc s TRP 390 Cb 0.02 0.02 -0.01 0.00 -1.50 0.00 0.00 33.47 32.00 1qkc s TRP 390 CO 0.08 -0.19 -0.23 -0.06 -4.62 0.00 0.00 176.95 171.94 1qkc s PHE 391 N 0.97 2.50 -0.06 5.86 0.40 -1.13 -0.07 117.98 126.45 1qkc s PHE 391 Ca -0.07 -0.62 -0.20 0.00 -0.60 0.00 0.00 56.93 55.44 1qkc s PHE 391 Cb -0.09 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.78 1qkc s PHE 391 CO -0.06 -0.15 0.58 0.20 0.70 0.00 0.00 175.22 176.49 1qkc s GLY 392 N -0.23 2.54 0.00 4.36 0.00 0.85 -3.12 107.32 111.72 1qkc s GLY 392 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.69 1qkc s GLY 392 CO 0.03 0.86 0.00 -1.72 0.00 0.00 0.00 173.10 172.27 1qkc n TYR 393 N 3.33 0.00 -1.59 1.90 4.01 0.13 -3.59 117.16 121.35 1qkc n TYR 393 Ca -0.06 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.28 1qkc n TYR 393 Cb 0.51 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.57 1qkc n TYR 393 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1qkc n ASP 394 N 0.00 0.82 0.00 7.72 8.00 -1.26 -1.36 116.55 130.47 1qkc n ASP 394 Ca 0.00 0.94 0.00 0.00 0.71 0.00 0.00 54.79 56.44 1qkc n ASP 394 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.76 1qkc n ASP 394 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1qkc n ASP 395 N 0.21 -3.68 0.32 -2.24 8.00 -1.26 -4.72 116.55 113.17 1qkc n ASP 395 Ca 0.11 0.00 0.20 0.00 0.71 0.00 0.00 54.79 55.81 1qkc n ASP 395 Cb 0.42 -2.38 1.05 0.00 -0.02 0.00 0.00 41.12 40.18 1qkc n ASP 395 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1qkc h SER 396 N 0.00 0.00 -3.76 -2.24 4.64 -1.43 -3.43 113.55 107.34 1qkc h SER 396 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1qkc h SER 396 Cb 0.61 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.44 1qkc h SER 396 CO 0.00 0.01 -0.47 0.54 -0.87 0.00 0.00 176.83 176.04 1qkc s VAL 397 N -4.15 -0.01 -0.15 0.95 0.11 -1.25 -4.96 120.40 110.95 1qkc s VAL 397 Ca -0.04 0.02 -0.40 0.00 -2.93 0.00 0.00 61.98 58.63 1qkc s VAL 397 Cb 0.13 -0.31 -0.18 0.00 -1.53 0.00 0.00 36.38 34.49 1qkc s VAL 397 CO 0.47 0.01 1.45 -0.81 -3.33 0.00 0.00 175.10 172.89 1qkc n PRO 398 N 3.11 0.70 -0.71 1.54 -0.04 -1.26 -4.32 135.00 134.03 1qkc n PRO 398 Ca -0.14 0.26 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 1qkc n PRO 398 Cb 0.58 -1.86 0.16 0.00 -0.04 0.00 0.00 33.50 32.34 1qkc n PRO 398 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1qkc n LEU 399 N 3.45 -2.08 -4.08 1.53 4.77 -1.26 -4.76 117.00 114.56 1qkc n LEU 399 Ca 0.23 -0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.90 1qkc n LEU 399 Cb 0.10 -0.97 -0.17 0.00 -2.33 0.00 0.00 43.42 40.06 1qkc n LEU 399 CO 0.73 -3.17 -0.49 -0.76 -1.33 0.00 0.00 177.39 172.36 1qkc s LEU 400 N -0.76 1.77 -0.53 2.23 1.43 -0.07 -4.96 118.68 117.79 1qkc s LEU 400 Ca 0.55 -0.37 -0.27 0.00 -1.03 0.00 0.00 54.13 53.01 1qkc s LEU 400 Cb -0.12 -0.98 0.03 0.00 0.03 0.00 0.00 46.19 45.15 1qkc s LEU 400 CO 0.66 0.07 1.10 0.21 0.23 0.00 0.00 176.35 178.63 1qkc s ASN 401 N 0.56 6.49 0.12 2.29 3.84 -1.26 0.20 114.94 127.17 1qkc s ASN 401 Ca -0.15 0.13 0.27 0.00 0.21 0.00 0.00 52.86 53.32 1qkc s ASN 401 Cb -0.16 -2.52 1.00 0.00 -0.55 0.00 0.00 41.25 39.02 1qkc s ASN 401 CO 0.05 -1.32 1.84 0.18 -2.79 0.00 0.00 177.10 175.06 1qkc n LEU 402 N 7.95 0.45 -0.23 3.21 4.77 -0.88 -3.80 117.00 128.48 1qkc n LEU 402 Ca 0.08 0.54 0.09 0.00 -0.03 0.00 0.00 56.01 56.69 1qkc n LEU 402 Cb 0.49 -0.40 0.36 0.00 -2.33 0.00 0.00 43.42 41.54 1qkc n LEU 402 CO 0.69 -0.10 1.22 0.22 -1.33 0.00 0.00 177.39 178.09 1qkc h TYR 403 N 0.00 0.80 -0.30 -1.77 3.20 -1.87 -3.13 116.97 113.91 1qkc h TYR 403 Ca 0.00 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.96 1qkc h TYR 403 Cb 0.63 -0.26 -0.07 0.00 1.54 0.00 0.00 36.73 38.57 1qkc h TYR 403 CO 0.00 0.36 -0.20 -0.97 -1.64 0.00 0.00 178.16 175.71 1qkc h ASN 404 N 0.74 -0.67 -1.25 -2.11 -1.24 -1.93 -3.40 115.58 105.72 1qkc h ASN 404 Ca 0.38 0.14 -0.55 0.00 0.71 0.00 0.00 56.30 56.98 1qkc h ASN 404 Cb 0.49 0.34 -0.02 0.00 0.73 0.00 0.00 38.32 39.86 1qkc h ASN 404 CO -0.15 -0.24 1.57 -2.65 -1.29 0.00 0.00 177.43 174.67 1qkc n PRO 405 N -5.36 1.02 0.00 6.67 -0.02 -1.19 -4.81 135.00 131.31 1qkc n PRO 405 Ca 0.00 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1qkc n PRO 405 Cb 0.27 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 30.94 1qkc n PRO 405 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1qkc n SER 406 N 12.65 0.00 -0.01 2.55 3.41 -1.26 -4.70 113.62 126.27 1qkc n SER 406 Ca 0.42 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 59.13 1qkc n SER 406 Cb 0.35 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.15 1qkc n SER 406 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1qkc n SER 407 N 0.00 0.40 0.11 4.04 2.88 -1.26 -3.50 113.62 116.30 1qkc n SER 407 Ca 0.00 -0.30 0.01 0.00 -1.33 0.00 0.00 58.87 57.25 1qkc n SER 407 Cb 0.00 1.67 -0.01 0.00 -0.75 0.00 0.00 64.21 65.12 1qkc n SER 407 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1qkc h HIS 408 N 0.00 0.00 0.00 0.66 -0.00 -1.90 -3.14 115.15 110.77 1qkc h HIS 408 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1qkc h HIS 408 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.23 1qkc h HIS 408 CO 0.00 0.56 -0.49 0.72 -0.00 0.00 0.00 177.93 178.72 1qkc n HIS 409 N -3.16 0.47 0.00 5.26 -0.00 -1.26 -3.84 115.22 112.69 1qkc n HIS 409 Ca -0.01 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 1qkc n HIS 409 Cb 0.77 -0.61 0.00 0.00 -0.00 0.00 0.00 29.99 30.15 1qkc n HIS 409 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1qkc n HIS 410 N -1.98 0.00 0.00 4.41 8.25 -1.17 -3.53 115.22 121.19 1qkc n HIS 410 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1qkc n HIS 410 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1qkc n HIS 410 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1qkc n HIS 411 N -0.55 0.00 -0.36 4.41 8.25 -1.19 -4.20 115.22 121.58 1qkc n HIS 411 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 1qkc n HIS 411 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1qkc n HIS 411 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1qkc n HIS 412 N -0.34 0.00 0.00 4.41 8.25 -1.25 -4.61 115.22 121.67 1qkc n HIS 412 Ca 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.00 1qkc n HIS 412 Cb 0.00 -0.67 0.00 0.00 1.12 0.00 0.00 29.99 30.44 1qkc n HIS 412 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1qkc n HIS 413 N 7.23 0.00 -3.83 4.41 -0.00 -1.25 -4.62 115.22 117.16 1qkc n HIS 413 Ca 0.28 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.77 1qkc n HIS 413 Cb 0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.21 1qkc n HIS 413 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1qkc s GLY 414 N -1.10 2.26 1.15 -1.41 0.00 -1.24 -3.06 107.32 103.91 1qkc s GLY 414 Ca 0.00 -1.86 -0.18 0.00 0.00 0.00 0.00 44.72 42.68 1qkc s GLY 414 CO 0.00 -1.82 0.27 -1.14 0.00 0.00 0.00 173.10 170.41 1qkc n SER 415 N -1.47 -2.49 -4.41 1.64 3.41 -1.23 -4.85 113.62 104.22 1qkc n SER 415 Ca 0.01 -0.23 -0.30 0.00 -0.26 0.00 0.00 58.87 58.08 1qkc n SER 415 Cb 0.63 -0.99 -0.13 0.00 -0.26 0.00 0.00 64.21 63.46 1qkc n SER 415 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1qkc s SER 416 N -2.03 3.54 0.01 4.04 0.15 -1.26 -4.95 113.70 113.20 1qkc s SER 416 Ca 0.57 -0.50 -0.34 0.00 0.70 0.00 0.00 55.95 56.37 1qkc s SER 416 Cb -0.14 -0.47 -0.13 0.00 -1.71 0.00 0.00 66.02 63.58 1qkc s SER 416 CO 0.62 0.25 1.75 0.55 1.20 0.00 0.00 173.24 177.61 1qkc n VAL 417 N 1.60 0.35 0.00 4.45 3.14 -1.26 -4.91 118.33 121.70 1qkc n VAL 417 Ca -0.17 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 1qkc n VAL 417 Cb 0.52 -1.72 0.00 0.00 -1.06 0.00 0.00 33.84 31.59 1qkc n VAL 417 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1qkc n ASN 418 N 5.32 0.00 -4.96 6.55 3.02 -1.26 -4.99 115.26 118.93 1qkc n ASN 418 Ca 0.20 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.54 1qkc n ASN 418 Cb 0.29 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.47 1qkc n ASN 418 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1qkc s THR 419 N 0.00 2.22 0.00 3.41 -4.23 -1.26 -4.45 115.64 111.33 1qkc s THR 419 Ca 0.00 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1qkc s THR 419 Cb 0.00 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1qkc s THR 419 CO 0.00 0.00 0.00 0.47 -0.54 0.00 0.00 174.62 174.55 1qkc n ASP 420 N -1.92 -1.31 -3.70 3.99 9.92 -1.26 -0.68 116.55 121.59 1qkc n ASP 420 Ca 0.07 -0.14 -0.08 0.00 -0.53 0.00 0.00 54.79 54.11 1qkc n ASP 420 Cb 0.62 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.08 1qkc n ASP 420 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1qkc s PHE 421 N -0.80 -0.29 0.00 1.24 5.36 -1.26 -4.55 117.98 117.68 1qkc s PHE 421 Ca 0.00 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 55.92 1qkc s PHE 421 Cb 0.00 0.65 0.00 0.00 -0.34 0.00 0.00 43.02 43.33 1qkc s PHE 421 CO 0.00 -1.03 0.23 -3.47 -1.46 0.00 0.00 175.22 169.49 1qkc n ASP 422 N -0.42 0.00 0.00 6.13 2.03 -1.26 -4.89 116.55 118.13 1qkc n ASP 422 Ca -0.08 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1qkc n ASP 422 Cb 0.61 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 1qkc n ASP 422 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1qkc n PHE 423 N -1.33 0.00 -0.01 -0.67 3.72 -1.26 -4.49 117.46 113.43 1qkc n PHE 423 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 1qkc n PHE 423 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1qkc n PHE 423 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1qkc h ASN 424 N 0.00 -0.38 -0.41 4.37 2.35 -2.05 -3.28 115.58 116.18 1qkc h ASN 424 Ca 0.00 0.08 -0.70 0.00 -0.55 0.00 0.00 56.30 55.13 1qkc h ASN 424 Cb 0.00 0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.50 1qkc h ASN 424 CO 0.00 -0.16 2.70 0.00 -1.65 0.00 0.00 177.43 178.32 1qkc n ALA 425 N -2.51 4.61 -2.25 -0.83 0.00 -1.26 -4.92 120.51 113.35 1qkc n ALA 425 Ca -0.03 -3.87 -0.36 0.00 0.00 0.00 0.00 53.44 49.19 1qkc n ALA 425 Cb 0.19 -3.57 -0.04 0.00 0.00 0.00 0.00 19.45 16.03 1qkc n ALA 425 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qkc s LYS 426 N 3.68 2.91 0.23 0.00 1.02 -1.24 -4.97 119.74 121.37 1qkc s LYS 426 Ca 0.50 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 56.00 1qkc s LYS 426 Cb 0.09 -4.76 -0.09 0.00 -0.52 0.00 0.00 37.83 32.56 1qkc s LYS 426 CO -0.01 -2.71 1.12 0.34 -0.92 0.00 0.00 175.35 173.17 1qkc s ASP 427 N 6.58 7.24 0.21 2.83 2.15 -1.26 -4.93 116.67 129.49 1qkc s ASP 427 Ca 0.57 2.20 0.19 0.00 0.43 0.00 0.00 52.55 55.95 1qkc s ASP 427 Cb -0.07 -2.62 0.89 0.00 -0.30 0.00 0.00 42.92 40.82 1qkc s ASP 427 CO 0.07 -0.21 1.59 -2.65 -0.17 0.00 0.00 175.17 173.80 1qkc n PRO 428 N 1.83 0.13 0.02 4.34 -0.02 -1.26 -1.86 135.00 138.18 1qkc n PRO 428 Ca 0.01 0.47 -0.01 0.00 -2.02 0.00 0.00 63.50 61.95 1qkc n PRO 428 Cb 0.45 -1.81 -0.01 0.00 -0.02 0.00 0.00 33.50 32.12 1qkc n PRO 428 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qkc h ALA 429 N 2.20 -0.27 0.00 3.55 0.00 -2.01 -3.38 119.26 119.34 1qkc h ALA 429 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1qkc h ALA 429 Cb 0.21 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1qkc h ALA 429 CO 0.00 -0.27 -0.39 -2.95 0.00 0.00 0.00 179.25 175.64 1qkc h ASN 430 N -0.26 0.00 -3.42 0.00 -1.07 -1.84 -3.48 115.58 105.50 1qkc h ASN 430 Ca -0.01 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.13 1qkc h ASN 430 Cb 0.06 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.25 1qkc h ASN 430 CO 0.01 0.39 -0.22 -1.54 0.07 0.00 0.00 177.43 176.14 1qkc n SER 431 N -3.55 0.02 -3.11 6.14 3.41 -0.78 0.20 113.62 115.95 1qkc n SER 431 Ca -0.00 -2.04 -0.06 0.00 -0.26 0.00 0.00 58.87 56.51 1qkc n SER 431 Cb 0.52 0.72 0.02 0.00 -0.26 0.00 0.00 64.21 65.20 1qkc n SER 431 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1qkc s GLY 432 N -2.12 0.26 0.12 5.00 0.00 -1.18 -4.38 107.32 105.02 1qkc s GLY 432 Ca 0.17 -0.57 0.02 0.00 0.00 0.00 0.00 44.72 44.33 1qkc s GLY 432 CO 0.12 1.09 0.26 2.56 0.00 0.00 0.00 173.10 177.13 1qkc s PRO 433 N -2.18 3.42 -0.15 2.90 0.04 -1.26 -2.83 135.00 134.94 1qkc s PRO 433 Ca 0.19 -0.56 -0.01 0.00 0.04 0.00 0.00 61.00 60.66 1qkc s PRO 433 Cb -0.04 -2.98 0.04 0.00 0.04 0.00 0.00 34.50 31.56 1qkc s PRO 433 CO 0.09 0.55 -0.05 -0.47 0.04 0.00 0.00 177.00 177.15 1qkc s TYR 434 N -1.67 1.52 -0.22 0.56 5.04 -0.13 -4.93 117.35 117.52 1qkc s TYR 434 Ca 0.34 -0.91 -0.05 0.00 -2.44 0.00 0.00 57.07 54.01 1qkc s TYR 434 Cb -0.12 -1.24 0.08 0.00 0.35 0.00 0.00 41.96 41.04 1qkc s TYR 434 CO 0.28 -0.57 0.11 1.03 -1.34 0.00 0.00 175.55 175.06 1qkc s ARG 435 N 1.69 0.12 0.18 4.97 0.52 -1.26 0.22 118.95 125.39 1qkc s ARG 435 Ca 0.02 -0.23 0.07 0.00 -0.52 0.00 0.00 55.73 55.07 1qkc s ARG 435 Cb -0.14 -1.55 -0.04 0.00 0.52 0.00 0.00 34.95 33.73 1qkc s ARG 435 CO -0.08 -0.80 -0.14 0.42 0.02 0.00 0.00 175.30 174.72 1qkc s ILE 436 N 2.14 1.59 -0.34 1.52 -1.09 -0.90 0.69 121.20 124.81 1qkc s ILE 436 Ca 0.05 -2.10 -0.01 0.00 -2.23 0.00 0.00 60.65 56.36 1qkc s ILE 436 Cb -0.16 -1.93 0.12 0.00 -1.58 0.00 0.00 42.46 38.91 1qkc s ILE 436 CO -0.20 -0.58 0.17 -0.22 -1.23 0.00 0.00 174.94 172.88 1qkc s LEU 437 N -3.13 1.35 0.02 2.97 2.96 0.02 -1.24 118.68 121.62 1qkc s LEU 437 Ca 0.19 -1.89 -0.21 0.00 -0.22 0.00 0.00 54.13 52.00 1qkc s LEU 437 Cb -0.01 -0.57 -0.06 0.00 0.50 0.00 0.00 46.19 46.05 1qkc s LEU 437 CO 0.05 -0.36 0.62 0.20 -1.32 0.00 0.00 176.35 175.54 1qkc s ASN 438 N 1.36 7.03 0.08 3.68 -0.87 -0.75 -1.64 114.94 123.83 1qkc s ASN 438 Ca 0.14 1.23 0.09 0.00 -1.57 0.00 0.00 52.86 52.74 1qkc s ASN 438 Cb -0.20 -2.38 -0.03 0.00 -0.02 0.00 0.00 41.25 38.61 1qkc s ASN 438 CO -0.15 0.11 -0.24 -0.54 -2.57 0.00 0.00 177.10 173.71 1qkc s LYS 439 N -0.31 1.46 0.00 -0.60 1.02 0.16 -0.79 119.74 120.68 1qkc s LYS 439 Ca 0.32 -1.14 -0.01 0.00 0.02 0.00 0.00 55.97 55.16 1qkc s LYS 439 Cb -0.19 -1.73 -0.01 0.00 -0.52 0.00 0.00 37.83 35.39 1qkc s LYS 439 CO 0.18 0.43 0.02 -0.65 -0.92 0.00 0.00 175.35 174.41 1qkc s GLN 440 N -1.56 0.19 -0.20 1.68 -0.21 0.29 -2.34 119.66 117.51 1qkc s GLN 440 Ca 0.10 -0.26 -0.13 0.00 0.02 0.00 0.00 55.36 55.09 1qkc s GLN 440 Cb -0.10 0.07 0.06 0.00 1.00 0.00 0.00 33.01 34.05 1qkc s GLN 440 CO 0.03 -0.03 0.50 0.21 -2.12 0.00 0.00 175.29 173.88 1qkc s LYS 441 N -0.72 0.52 -0.03 2.91 2.20 -0.02 -0.29 119.74 124.31 1qkc s LYS 441 Ca -0.08 0.87 -0.09 0.00 -0.36 0.00 0.00 55.97 56.31 1qkc s LYS 441 Cb -0.05 0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.38 1qkc s LYS 441 CO -0.00 -0.13 0.20 -1.14 -0.36 0.00 0.00 175.35 173.92 1qkc s GLN 442 N 1.15 0.45 -0.12 4.03 0.74 0.19 0.18 119.66 126.29 1qkc s GLN 442 Ca -0.07 -0.12 -0.06 0.00 0.05 0.00 0.00 55.36 55.15 1qkc s GLN 442 Cb -0.06 0.20 0.05 0.00 1.10 0.00 0.00 33.01 34.29 1qkc s GLN 442 CO -0.11 -0.10 0.27 0.95 -0.55 0.00 0.00 175.29 175.75 1qkc s THR 443 N -0.89 -0.04 0.05 -0.34 -4.23 -0.73 -0.10 115.64 109.36 1qkc s THR 443 Ca -0.10 0.13 -0.09 0.00 -1.18 0.00 0.00 61.69 60.45 1qkc s THR 443 Cb -0.05 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.37 1qkc s THR 443 CO 0.02 0.05 0.20 -0.83 -0.54 0.00 0.00 174.62 173.52 1qkc s GLY 444 N 1.23 0.04 0.05 3.99 0.00 0.24 -0.83 107.32 112.04 1qkc s GLY 444 Ca -0.09 -0.32 0.07 0.00 0.00 0.00 0.00 44.72 44.38 1qkc s GLY 444 CO -0.09 -0.50 -0.20 -1.34 0.00 0.00 0.00 173.10 170.97 1qkc s VAL 445 N -2.75 1.63 0.10 1.40 -7.23 -0.63 -0.20 120.40 112.72 1qkc s VAL 445 Ca -0.04 -1.24 -0.09 0.00 -1.81 0.00 0.00 61.98 58.81 1qkc s VAL 445 Cb -0.00 -1.43 -0.00 0.00 0.56 0.00 0.00 36.38 35.50 1qkc s VAL 445 CO -0.05 0.15 0.20 -0.72 -0.31 0.00 0.00 175.10 174.37 1qkc s TYR 446 N -0.86 0.21 -0.03 2.82 1.13 -0.15 -0.55 117.35 119.92 1qkc s TYR 446 Ca 0.07 -0.63 -0.08 0.00 -1.41 0.00 0.00 57.07 55.02 1qkc s TYR 446 Cb -0.09 -0.07 0.01 0.00 -1.10 0.00 0.00 41.96 40.72 1qkc s TYR 446 CO 0.02 -0.57 0.18 0.08 -2.51 0.00 0.00 175.55 172.75 1qkc s VAL 447 N -3.88 0.05 -0.18 -3.49 1.01 0.18 -1.56 120.40 112.53 1qkc s VAL 447 Ca 0.07 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 1qkc s VAL 447 Cb 0.05 -0.41 0.08 0.00 0.00 0.00 0.00 36.38 36.10 1qkc s VAL 447 CO -0.09 -0.23 0.76 -1.58 0.00 0.00 0.00 175.10 173.96 1qkc s GLN 448 N -0.86 0.86 -0.06 2.72 0.74 0.53 -0.02 119.66 123.58 1qkc s GLN 448 Ca -0.09 0.61 0.02 0.00 0.05 0.00 0.00 55.36 55.95 1qkc s GLN 448 Cb -0.05 0.41 0.01 0.00 1.10 0.00 0.00 33.01 34.48 1qkc s GLN 448 CO 0.01 -0.19 -0.12 0.34 -0.55 0.00 0.00 175.29 174.79 1qkc s ASP 449 N -0.35 1.72 -0.96 6.67 2.15 0.98 0.31 116.67 127.19 1qkc s ASP 449 Ca -0.04 -0.29 -0.02 0.00 0.43 0.00 0.00 52.55 52.63 1qkc s ASP 449 Cb -0.03 -0.74 0.27 0.00 -0.30 0.00 0.00 42.92 42.13 1qkc s ASP 449 CO 0.04 0.05 1.14 0.00 -0.17 0.00 0.00 175.17 176.22 1qkc n GLN 450 N 3.70 3.57 -2.57 4.34 6.02 0.38 -2.39 117.38 130.43 1qkc n GLN 450 Ca -0.22 -4.55 -0.42 0.00 -0.01 0.00 0.00 57.00 51.80 1qkc n GLN 450 Cb 0.52 -2.45 -0.02 0.00 1.02 0.00 0.00 30.24 29.31 1qkc n GLN 450 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qkc s ALA 451 N -2.21 2.95 -0.31 -1.58 0.00 -1.17 -2.63 121.76 116.82 1qkc s ALA 451 Ca 0.32 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 51.24 1qkc s ALA 451 Cb 0.02 -4.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.03 1qkc s ALA 451 CO 0.01 -2.78 0.27 -1.14 0.00 0.00 0.00 175.76 172.12 1qkc s GLN 452 N 5.11 3.76 -0.73 0.00 0.74 0.77 -2.32 119.66 127.00 1qkc s GLN 452 Ca 0.42 -0.35 0.03 0.00 0.05 0.00 0.00 55.36 55.51 1qkc s GLN 452 Cb -0.08 -3.73 0.33 0.00 1.10 0.00 0.00 33.01 30.64 1qkc s GLN 452 CO 0.24 -0.34 1.21 1.87 -0.55 0.00 0.00 175.29 177.72 1qkc n TRP 453 N 5.19 3.63 -2.28 1.67 -0.00 -0.05 -1.51 117.44 124.09 1qkc n TRP 453 Ca -0.12 -3.55 0.00 0.00 -0.00 0.00 0.00 57.50 53.84 1qkc n TRP 453 Cb 0.51 -0.72 0.00 0.00 -0.00 0.00 0.00 31.31 31.10 1qkc n TRP 453 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1qkc n ASP 454 N -0.11 -8.27 0.00 5.87 9.92 -1.26 -3.84 116.55 118.86 1qkc n ASP 454 Ca 0.36 1.72 0.00 0.00 -0.53 0.00 0.00 54.79 56.33 1qkc n ASP 454 Cb 0.35 -4.74 0.00 0.00 -0.64 0.00 0.00 41.12 36.09 1qkc n ASP 454 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1qkc n LYS 455 N 1.89 -1.69 -3.54 -1.24 4.01 -1.26 -4.78 118.16 111.54 1qkc n LYS 455 Ca 0.00 0.26 -0.28 0.00 -0.51 0.00 0.00 58.31 57.79 1qkc n LYS 455 Cb 0.00 -3.93 -0.11 0.00 -0.51 0.00 0.00 35.03 30.48 1qkc n LYS 455 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1qkc s VAL 456 N -0.63 0.96 -0.14 -0.18 1.01 -1.25 -2.13 120.40 118.04 1qkc s VAL 456 Ca 0.00 -2.83 -0.21 0.00 0.00 0.00 0.00 61.98 58.94 1qkc s VAL 456 Cb 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1qkc s VAL 456 CO 0.00 -1.11 0.61 -0.22 0.00 0.00 0.00 175.10 174.37 1qkc s LEU 457 N -0.06 4.23 -0.11 3.92 0.20 -0.81 -0.87 118.68 125.17 1qkc s LEU 457 Ca 0.27 0.93 -0.00 0.00 0.69 0.00 0.00 54.13 56.02 1qkc s LEU 457 Cb -0.05 -2.89 0.02 0.00 -0.43 0.00 0.00 46.19 42.84 1qkc s LEU 457 CO -0.14 -0.15 -0.08 0.54 -0.29 0.00 0.00 176.35 176.23 1qkc s VAL 458 N 1.25 1.03 -0.09 1.68 0.11 -0.98 -0.75 120.40 122.65 1qkc s VAL 458 Ca 0.30 -0.29 -0.04 0.00 -2.93 0.00 0.00 61.98 59.02 1qkc s VAL 458 Cb -0.16 -1.05 -0.04 0.00 -1.53 0.00 0.00 36.38 33.61 1qkc s VAL 458 CO 0.12 0.37 0.07 -0.89 -3.33 0.00 0.00 175.10 171.44 1qkc s THR 459 N 1.68 4.85 -0.03 5.04 2.01 0.92 -3.05 115.64 127.05 1qkc s THR 459 Ca 0.04 -0.08 -0.22 0.00 0.31 0.00 0.00 61.69 61.74 1qkc s THR 459 Cb -0.13 -3.09 0.05 0.00 0.01 0.00 0.00 72.50 69.34 1qkc s THR 459 CO -0.08 0.59 0.48 -0.22 -0.69 0.00 0.00 174.62 174.70 1qkc s LEU 460 N -1.03 0.15 0.00 4.42 2.96 -1.00 -0.33 118.68 123.84 1qkc s LEU 460 Ca 0.15 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 1qkc s LEU 460 Cb -0.12 1.86 0.00 0.00 0.50 0.00 0.00 46.19 48.43 1qkc s LEU 460 CO 0.04 -0.52 0.00 0.61 -1.32 0.00 0.00 176.35 175.16 1qkc n GLY 461 N 1.13 -0.03 3.83 7.98 0.00 -0.63 -0.01 105.19 117.46 1qkc n GLY 461 Ca -0.20 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 1qkc n GLY 461 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qkc s GLY 462 N 0.00 0.16 -0.17 -0.02 0.00 0.97 0.22 107.32 108.48 1qkc s GLY 462 Ca 0.00 -0.55 -0.20 0.00 0.00 0.00 0.00 44.72 43.97 1qkc s GLY 462 CO 0.00 -0.21 0.54 -1.60 0.00 0.00 0.00 173.10 171.83 1qkc s ARG 463 N -3.04 0.68 0.07 2.90 3.52 0.66 -0.64 118.95 123.10 1qkc s ARG 463 Ca 0.13 0.63 0.03 0.00 -0.13 0.00 0.00 55.73 56.40 1qkc s ARG 463 Cb -0.05 0.33 -0.04 0.00 -1.56 0.00 0.00 34.95 33.63 1qkc s ARG 463 CO 0.09 -0.11 0.04 -0.47 -0.81 0.00 0.00 175.30 174.04 1qkc s TYR 464 N 0.00 3.10 0.01 5.12 5.04 0.29 0.21 117.35 131.13 1qkc s TYR 464 Ca -0.02 0.04 0.01 0.00 -2.44 0.00 0.00 57.07 54.66 1qkc s TYR 464 Cb -0.04 -1.60 -0.01 0.00 0.35 0.00 0.00 41.96 40.66 1qkc s TYR 464 CO 0.02 0.50 -0.04 -0.51 -1.34 0.00 0.00 175.55 174.17 1qkc s ASP 465 N -2.22 0.50 -0.48 4.32 1.01 0.61 -1.60 116.67 118.81 1qkc s ASP 465 Ca 0.26 -0.22 0.03 0.00 0.71 0.00 0.00 52.55 53.33 1qkc s ASP 465 Cb -0.12 -0.01 0.13 0.00 1.01 0.00 0.00 42.92 43.93 1qkc s ASP 465 CO 0.19 -0.05 0.24 0.26 0.21 0.00 0.00 175.17 176.02 1qkc s TRP 466 N -0.53 2.75 -0.29 4.23 0.51 -0.01 -0.85 118.94 124.75 1qkc s TRP 466 Ca -0.03 -2.87 -0.05 0.00 -2.12 0.00 0.00 56.10 51.02 1qkc s TRP 466 Cb -0.04 -2.47 0.02 0.00 -0.81 0.00 0.00 33.47 30.16 1qkc s TRP 466 CO -0.00 -0.77 0.04 0.00 -0.51 0.00 0.00 176.95 175.71 1qkc s ALA 467 N 0.03 2.95 -0.02 0.98 0.00 0.69 -1.77 121.76 124.62 1qkc s ALA 467 Ca 0.17 -1.50 0.08 0.00 0.00 0.00 0.00 51.96 50.71 1qkc s ALA 467 Cb -0.25 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 1qkc s ALA 467 CO -0.01 -0.95 -0.25 -0.51 0.00 0.00 0.00 175.76 174.05 1qkc s ASP 468 N 1.43 3.17 0.25 0.00 1.01 0.13 0.18 116.67 122.84 1qkc s ASP 468 Ca 0.01 -0.44 0.05 0.00 0.71 0.00 0.00 52.55 52.88 1qkc s ASP 468 Cb -0.17 -0.40 -0.05 0.00 1.01 0.00 0.00 42.92 43.30 1qkc s ASP 468 CO 0.00 0.32 -0.03 0.00 0.21 0.00 0.00 175.17 175.67 1qkc s GLN 469 N -0.66 1.43 -0.30 8.23 -2.07 0.35 -0.84 119.66 125.80 1qkc s GLN 469 Ca 0.10 -1.72 -0.11 0.00 -1.82 0.00 0.00 55.36 51.82 1qkc s GLN 469 Cb -0.10 -0.89 0.17 0.00 -1.09 0.00 0.00 33.01 31.10 1qkc s GLN 469 CO -0.01 -0.02 0.85 -2.00 -1.32 0.00 0.00 175.29 172.79 1qkc s GLU 470 N -3.79 0.38 -0.09 9.60 2.12 -0.99 -0.86 118.70 125.07 1qkc s GLU 470 Ca 0.28 0.84 0.04 0.00 0.36 0.00 0.00 54.97 56.49 1qkc s GLU 470 Cb 0.05 0.49 -0.01 0.00 0.26 0.00 0.00 34.13 34.92 1qkc s GLU 470 CO 0.10 -0.26 -0.22 0.45 -0.54 0.00 0.00 175.26 174.79 1qkc s SER 471 N 2.74 3.29 -0.24 -1.70 0.15 0.80 -0.66 113.70 118.07 1qkc s SER 471 Ca 0.02 -0.49 -0.05 0.00 0.70 0.00 0.00 55.95 56.13 1qkc s SER 471 Cb -0.10 -1.29 -0.01 0.00 -1.71 0.00 0.00 66.02 62.91 1qkc s SER 471 CO -0.17 0.19 0.01 -0.22 1.20 0.00 0.00 173.24 174.25 1qkc s LEU 472 N 0.18 3.24 -0.45 3.45 2.96 -0.65 -1.00 118.68 126.40 1qkc s LEU 472 Ca -0.13 -0.39 -0.23 0.00 -0.22 0.00 0.00 54.13 53.16 1qkc s LEU 472 Cb -0.16 -1.82 0.03 0.00 0.50 0.00 0.00 46.19 44.73 1qkc s LEU 472 CO 0.07 -0.06 0.81 0.21 -1.32 0.00 0.00 176.35 176.06 1qkc s ASN 473 N 1.52 6.43 0.02 3.68 3.84 -0.54 -0.80 114.94 129.09 1qkc s ASN 473 Ca 0.05 -0.07 -0.08 0.00 0.21 0.00 0.00 52.86 52.97 1qkc s ASN 473 Cb -0.15 -2.40 -0.04 0.00 -0.55 0.00 0.00 41.25 38.11 1qkc s ASN 473 CO -0.00 -0.94 1.12 0.03 -2.79 0.00 0.00 177.10 174.52 1qkc h ARG 474 N 8.99 -0.26 -0.06 0.43 3.08 -0.04 0.33 114.38 126.86 1qkc h ARG 474 Ca -0.25 0.02 0.02 0.00 0.07 0.00 0.00 59.98 59.85 1qkc h ARG 474 Cb 1.08 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.14 1qkc h ARG 474 CO 0.97 -0.17 -0.51 0.28 -1.07 0.00 0.00 179.97 179.47 1qkc h VAL 475 N -0.27 0.00 0.00 2.04 2.07 -1.94 0.26 116.25 118.41 1qkc h VAL 475 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1qkc h VAL 475 Cb 0.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1qkc h VAL 475 CO 0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1qkc n ALA 476 N -2.96 1.48 -3.65 1.67 0.00 -1.24 -4.88 120.51 110.93 1qkc n ALA 476 Ca -0.06 -0.04 -0.27 0.00 0.00 0.00 0.00 53.44 53.07 1qkc n ALA 476 Cb 0.37 -1.15 0.03 0.00 0.00 0.00 0.00 19.45 18.69 1qkc n ALA 476 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qkc n GLY 477 N -0.52 -1.09 3.42 0.00 0.00 0.11 -4.99 105.19 102.12 1qkc n GLY 477 Ca 0.03 0.48 -0.21 0.00 0.00 0.00 0.00 46.02 46.32 1qkc n GLY 477 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qkc s THR 478 N -3.30 0.74 -0.30 2.61 2.01 -0.72 -4.95 115.64 111.72 1qkc s THR 478 Ca 0.31 -2.00 0.05 0.00 0.31 0.00 0.00 61.69 60.36 1qkc s THR 478 Cb -0.12 -2.58 0.18 0.00 0.01 0.00 0.00 72.50 69.99 1qkc s THR 478 CO 0.86 0.00 0.53 -0.89 -0.69 0.00 0.00 174.62 174.43 1qkc s THR 479 N -3.42 -0.86 0.02 -0.82 2.01 -1.25 -1.46 115.64 109.86 1qkc s THR 479 Ca 0.33 -0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.14 1qkc s THR 479 Cb 0.06 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 1qkc s THR 479 CO 0.15 -0.11 0.26 -1.81 -0.69 0.00 0.00 174.62 172.42 1qkc s ASP 480 N 2.61 6.47 -0.07 3.53 1.01 -0.17 -4.92 116.67 125.13 1qkc s ASP 480 Ca 0.11 0.52 -0.24 0.00 0.71 0.00 0.00 52.55 53.64 1qkc s ASP 480 Cb -0.10 -2.07 0.05 0.00 1.01 0.00 0.00 42.92 41.81 1qkc s ASP 480 CO -0.25 0.23 0.55 -1.59 0.21 0.00 0.00 175.17 174.32 1qkc s LYS 481 N -1.90 0.87 -0.13 8.23 -2.85 -1.26 -0.14 119.74 122.56 1qkc s LYS 481 Ca 0.29 0.22 -0.07 0.00 -1.00 0.00 0.00 55.97 55.41 1qkc s LYS 481 Cb -0.13 0.41 0.05 0.00 -2.06 0.00 0.00 37.83 36.10 1qkc s LYS 481 CO 0.18 -0.24 0.31 0.50 0.10 0.00 0.00 175.35 176.20 1qkc s ARG 482 N -0.96 0.28 -0.52 1.78 3.52 -0.04 -4.86 118.95 118.16 1qkc s ARG 482 Ca -0.10 0.61 -0.11 0.00 -0.13 0.00 0.00 55.73 56.00 1qkc s ARG 482 Cb -0.02 -0.07 0.13 0.00 -1.56 0.00 0.00 34.95 33.43 1qkc s ARG 482 CO 0.07 -0.15 0.42 -0.51 -0.81 0.00 0.00 175.30 174.31 1qkc s ASP 483 N 1.23 5.90 0.32 -2.12 1.01 -1.26 -0.49 116.67 121.25 1qkc s ASP 483 Ca -0.09 -1.94 -0.18 0.00 0.71 0.00 0.00 52.55 51.05 1qkc s ASP 483 Cb -0.09 -2.08 -0.09 0.00 1.01 0.00 0.00 42.92 41.66 1qkc s ASP 483 CO -0.09 -0.73 0.80 -1.81 0.21 0.00 0.00 175.17 173.54 1qkc s ASP 484 N 2.90 6.93 -0.17 0.27 1.01 0.48 -4.91 116.67 123.18 1qkc s ASP 484 Ca 0.06 1.45 -0.04 0.00 0.71 0.00 0.00 52.55 54.72 1qkc s ASP 484 Cb -0.27 -2.44 0.06 0.00 1.01 0.00 0.00 42.92 41.29 1qkc s ASP 484 CO -0.00 -0.16 0.08 -0.54 0.21 0.00 0.00 175.17 174.75 1qkc s LYS 485 N -2.68 0.20 0.19 8.23 1.02 -1.26 -0.22 119.74 125.22 1qkc s LYS 485 Ca 0.53 -0.15 0.05 0.00 0.02 0.00 0.00 55.97 56.42 1qkc s LYS 485 Cb -0.12 -1.87 -0.05 0.00 -0.52 0.00 0.00 37.83 35.27 1qkc s LYS 485 CO 0.18 -0.65 -0.09 -1.14 -0.92 0.00 0.00 175.35 172.72 1qkc s GLN 486 N 2.07 1.23 0.01 1.68 2.00 -0.03 -4.94 119.66 121.68 1qkc s GLN 486 Ca 0.01 -1.56 0.03 0.00 -2.00 0.00 0.00 55.36 51.84 1qkc s GLN 486 Cb -0.16 -0.81 -0.01 0.00 0.80 0.00 0.00 33.01 32.82 1qkc s GLN 486 CO -0.09 0.08 -0.08 0.12 -0.50 0.00 0.00 175.29 174.82 1qkc s PHE 487 N -3.21 0.72 -0.01 1.67 5.36 -1.26 0.23 117.98 121.48 1qkc s PHE 487 Ca 0.21 -0.23 -0.06 0.00 -0.96 0.00 0.00 56.93 55.89 1qkc s PHE 487 Cb 0.02 -0.45 0.00 0.00 -0.34 0.00 0.00 43.02 42.25 1qkc s PHE 487 CO 0.05 -0.02 0.13 0.99 -1.46 0.00 0.00 175.22 174.91 1qkc s THR 488 N -0.52 0.07 0.08 0.12 2.01 0.13 -4.98 115.64 112.55 1qkc s THR 488 Ca -0.00 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.35 1qkc s THR 488 Cb -0.05 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 1qkc s THR 488 CO 0.00 -0.32 0.15 -1.66 -0.69 0.00 0.00 174.62 172.10 1qkc s TRP 489 N -1.11 0.21 -0.05 4.92 1.48 -1.26 0.24 118.94 123.37 1qkc s TRP 489 Ca -0.12 -0.66 -0.04 0.00 -1.06 0.00 0.00 56.10 54.22 1qkc s TRP 489 Cb -0.07 -0.12 0.02 0.00 -1.16 0.00 0.00 33.47 32.14 1qkc s TRP 489 CO 0.01 -0.51 0.14 0.50 -4.06 0.00 0.00 176.95 173.03 1qkc s ARG 490 N -3.79 0.14 0.03 3.25 3.52 0.13 -3.37 118.95 118.86 1qkc s ARG 490 Ca 0.05 0.23 0.05 0.00 -0.13 0.00 0.00 55.73 55.93 1qkc s ARG 490 Cb 0.05 0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.43 1qkc s ARG 490 CO -0.10 -0.06 -0.14 0.20 -0.81 0.00 0.00 175.30 174.39 1qkc s GLY 491 N 0.37 0.77 0.01 8.12 0.00 -0.20 -1.61 107.32 114.79 1qkc s GLY 491 Ca -0.02 -0.78 -0.28 0.00 0.00 0.00 0.00 44.72 43.63 1qkc s GLY 491 CO -0.02 -0.73 0.93 -0.32 0.00 0.00 0.00 173.10 172.96 1qkc s GLY 492 N -0.95 -0.41 0.02 0.20 0.00 0.55 -0.42 107.32 106.31 1qkc s GLY 492 Ca 0.03 0.87 0.01 0.00 0.00 0.00 0.00 44.72 45.63 1qkc s GLY 492 CO 0.01 0.28 -0.05 0.14 0.00 0.00 0.00 173.10 173.48 1qkc s VAL 493 N -3.10 0.30 -0.06 1.40 1.01 -0.62 -0.05 120.40 119.28 1qkc s VAL 493 Ca 0.07 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1qkc s VAL 493 Cb -0.01 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 36.03 1qkc s VAL 493 CO -0.07 -0.24 -0.10 0.20 0.00 0.00 0.00 175.10 174.89 1qkc s ASN 494 N -0.97 1.53 -0.70 3.32 -0.87 0.08 -1.73 114.94 115.59 1qkc s ASN 494 Ca -0.07 -0.25 -0.16 0.00 -1.57 0.00 0.00 52.86 50.81 1qkc s ASN 494 Cb -0.07 -0.71 0.16 0.00 -0.02 0.00 0.00 41.25 40.61 1qkc s ASN 494 CO -0.00 0.00 0.72 -0.47 -2.57 0.00 0.00 177.10 174.78 1qkc s TYR 495 N 0.76 3.36 -0.38 2.20 6.14 0.13 -1.93 117.35 127.63 1qkc s TYR 495 Ca -0.13 -1.48 -0.28 0.00 0.64 0.00 0.00 57.07 55.82 1qkc s TYR 495 Cb -0.15 -3.91 -0.02 0.00 0.42 0.00 0.00 41.96 38.29 1qkc s TYR 495 CO 0.02 -1.13 1.81 -0.51 0.64 0.00 0.00 175.55 176.38 1qkc s LEU 496 N 1.45 3.47 -0.08 6.97 1.43 -0.91 -3.12 118.68 127.89 1qkc s LEU 496 Ca 0.14 1.12 -0.05 0.00 -1.03 0.00 0.00 54.13 54.32 1qkc s LEU 496 Cb -0.18 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 1qkc s LEU 496 CO -0.02 -1.83 0.12 -0.36 0.23 0.00 0.00 176.35 174.49 1qkc s PHE 497 N 7.31 3.48 -0.55 0.29 0.40 -0.88 -4.66 117.98 123.37 1qkc s PHE 497 Ca 0.77 0.41 0.25 0.00 -0.60 0.00 0.00 56.93 57.76 1qkc s PHE 497 Cb -0.20 -1.87 0.93 0.00 0.51 0.00 0.00 43.02 42.39 1qkc s PHE 497 CO 0.31 0.66 1.74 -0.25 0.70 0.00 0.00 175.22 178.38 1qkc n ASP 498 N 1.72 0.74 -0.03 1.36 9.92 -1.26 -2.61 116.55 126.40 1qkc n ASP 498 Ca -0.17 0.64 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 1qkc n ASP 498 Cb 0.54 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 40.21 1qkc n ASP 498 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1qkc n ASN 499 N -2.27 0.05 0.00 -2.24 6.94 -1.26 -4.86 115.26 111.62 1qkc n ASN 499 Ca 0.03 -1.84 0.00 0.00 -0.02 0.00 0.00 54.58 52.75 1qkc n ASN 499 Cb 0.30 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 1qkc n ASN 499 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qkc n GLY 500 N 0.40 3.05 3.77 4.83 0.00 -1.07 -4.87 105.19 111.30 1qkc n GLY 500 Ca 0.00 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 1qkc n GLY 500 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qkc s VAL 501 N -0.69 2.17 -0.33 1.61 -7.23 -1.26 -1.79 120.40 112.88 1qkc s VAL 501 Ca 0.00 0.15 -0.01 0.00 -1.81 0.00 0.00 61.98 60.32 1qkc s VAL 501 Cb 0.00 -3.09 0.13 0.00 0.56 0.00 0.00 36.38 33.98 1qkc s VAL 501 CO 0.00 0.02 0.22 -0.89 -0.31 0.00 0.00 175.10 174.14 1qkc s THR 502 N -1.20 -0.01 0.64 5.32 2.01 0.83 -2.07 115.64 121.14 1qkc s THR 502 Ca 0.59 -1.29 -0.17 0.00 0.31 0.00 0.00 61.69 61.13 1qkc s THR 502 Cb -0.43 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 1qkc s THR 502 CO 0.56 -0.84 1.18 -2.84 -0.69 0.00 0.00 174.62 171.98 1qkc s PRO 503 N 1.47 2.77 0.03 4.92 0.02 -1.18 -1.26 135.00 141.77 1qkc s PRO 503 Ca 0.15 1.69 -0.27 0.00 0.02 0.00 0.00 61.00 62.58 1qkc s PRO 503 Cb -0.20 -1.92 0.09 0.00 0.02 0.00 0.00 34.50 32.50 1qkc s PRO 503 CO -0.12 -1.33 0.81 1.52 -0.33 0.00 0.00 177.00 177.55 1qkc s TYR 504 N -1.88 -0.41 0.16 6.54 -0.85 0.48 0.18 117.35 121.56 1qkc s TYR 504 Ca 0.74 0.31 -0.22 0.00 -0.52 0.00 0.00 57.07 57.38 1qkc s TYR 504 Cb -0.27 0.53 0.06 0.00 0.38 0.00 0.00 41.96 42.67 1qkc s TYR 504 CO 0.37 -0.62 0.57 -0.59 -1.52 0.00 0.00 175.55 173.77 1qkc s PHE 505 N -3.09 -0.47 -0.09 -3.49 -0.71 -0.71 0.08 117.98 109.51 1qkc s PHE 505 Ca 0.03 0.23 -0.30 0.00 -1.04 0.00 0.00 56.93 55.85 1qkc s PHE 505 Cb -0.01 0.52 0.12 0.00 -1.21 0.00 0.00 43.02 42.44 1qkc s PHE 505 CO -0.09 -0.84 0.98 -1.54 -1.34 0.00 0.00 175.22 172.39 1qkc s SER 506 N -2.77 -0.33 -0.11 1.98 1.04 0.20 -1.59 113.70 112.12 1qkc s SER 506 Ca 0.02 0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.61 1qkc s SER 506 Cb -0.01 0.32 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 1qkc s SER 506 CO -0.12 -0.46 -0.21 -0.47 0.98 0.00 0.00 173.24 172.96 1qkc s TYR 507 N -2.30 2.64 0.07 5.02 5.04 0.44 -1.41 117.35 126.84 1qkc s TYR 507 Ca 0.03 -1.01 0.01 0.00 -2.44 0.00 0.00 57.07 53.67 1qkc s TYR 507 Cb -0.01 -1.76 -0.04 0.00 0.35 0.00 0.00 41.96 40.50 1qkc s TYR 507 CO -0.05 -0.41 -0.06 0.45 -1.34 0.00 0.00 175.55 174.15 1qkc s SER 508 N 0.43 0.87 0.11 4.32 0.15 -0.82 -1.04 113.70 117.73 1qkc s SER 508 Ca -0.15 -0.88 0.03 0.00 0.70 0.00 0.00 55.95 55.65 1qkc s SER 508 Cb -0.17 0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1qkc s SER 508 CO 0.06 -0.43 -0.09 -1.61 1.20 0.00 0.00 173.24 172.37 1qkc s GLU 509 N -3.25 0.88 0.28 5.44 2.02 -1.22 -1.57 118.70 121.29 1qkc s GLU 509 Ca 0.05 -1.28 -0.00 0.00 0.02 0.00 0.00 54.97 53.76 1qkc s GLU 509 Cb 0.02 -0.44 -0.02 0.00 0.10 0.00 0.00 34.13 33.79 1qkc s GLU 509 CO -0.05 0.05 0.29 -1.54 0.02 0.00 0.00 175.26 174.03 1qkc s SER 510 N -2.79 0.74 -0.27 -0.19 1.04 0.03 -3.72 113.70 108.54 1qkc s SER 510 Ca 0.10 -1.46 -0.23 0.00 0.48 0.00 0.00 55.95 54.83 1qkc s SER 510 Cb 0.01 0.52 0.08 0.00 0.10 0.00 0.00 66.02 66.73 1qkc s SER 510 CO -0.01 -1.04 0.78 0.72 0.98 0.00 0.00 173.24 174.66 1qkc s PHE 511 N -3.69 -0.77 -0.16 5.02 -0.12 -1.25 -1.76 117.98 115.25 1qkc s PHE 511 Ca 0.36 1.80 -0.04 0.00 -0.05 0.00 0.00 56.93 59.00 1qkc s PHE 511 Cb 0.03 0.35 0.07 0.00 -0.63 0.00 0.00 43.02 42.83 1qkc s PHE 511 CO 0.18 -0.37 0.15 -2.00 -0.05 0.00 0.00 175.22 173.13 1qkc s GLU 512 N 0.58 0.09 0.90 1.99 2.12 -0.15 -0.03 118.70 124.21 1qkc s GLU 512 Ca -0.01 0.19 -0.10 0.00 0.36 0.00 0.00 54.97 55.41 1qkc s GLU 512 Cb -0.05 -1.18 0.14 0.00 0.26 0.00 0.00 34.13 33.30 1qkc s GLU 512 CO -0.04 -0.57 1.15 -1.25 -0.54 0.00 0.00 175.26 174.01 1qkc s PRO 513 N 2.24 1.11 0.05 4.30 0.04 -1.26 -0.94 135.00 140.55 1qkc s PRO 513 Ca 0.04 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.64 1qkc s PRO 513 Cb -0.15 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1qkc s PRO 513 CO -0.09 -2.56 0.08 0.45 0.04 0.00 0.00 177.00 174.92 1qkc s SER 514 N -2.70 5.55 0.00 6.66 0.15 -1.26 -4.81 113.70 117.28 1qkc s SER 514 Ca 0.67 0.04 0.13 0.00 0.70 0.00 0.00 55.95 57.48 1qkc s SER 514 Cb -0.23 -1.52 0.29 0.00 -1.71 0.00 0.00 66.02 62.86 1qkc s SER 514 CO 0.58 0.21 1.20 -1.54 1.20 0.00 0.00 173.24 174.88 1qkc n SER 515 N 0.72 2.83 -4.87 5.45 3.41 -1.26 -4.64 113.62 115.25 1qkc n SER 515 Ca -0.10 -1.87 -0.31 0.00 -0.26 0.00 0.00 58.87 56.32 1qkc n SER 515 Cb 0.52 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 1qkc n SER 515 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1qkc s GLN 516 N -1.03 3.83 -0.11 4.33 -1.52 -1.26 -4.97 119.66 118.92 1qkc s GLN 516 Ca 0.24 0.37 -0.02 0.00 -1.95 0.00 0.00 55.36 54.01 1qkc s GLN 516 Cb 0.13 -2.55 -0.03 0.00 -0.22 0.00 0.00 33.01 30.34 1qkc s GLN 516 CO 0.18 0.21 -0.04 0.54 -0.25 0.00 0.00 175.29 175.93 1qkc s VAL 517 N -1.98 3.90 0.61 1.09 0.11 -1.26 -1.25 120.40 121.61 1qkc s VAL 517 Ca 0.49 -0.38 -0.10 0.00 -2.93 0.00 0.00 61.98 59.06 1qkc s VAL 517 Cb -0.11 -2.65 0.14 0.00 -1.53 0.00 0.00 36.38 32.23 1qkc s VAL 517 CO 0.23 0.55 0.75 0.61 -3.33 0.00 0.00 175.10 173.91 1qkc n GLY 518 N 2.80 -1.66 0.18 6.54 0.00 0.19 -4.77 105.19 108.48 1qkc n GLY 518 Ca -0.18 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.24 1qkc n GLY 518 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qkc h LYS 519 N 0.00 0.00 -1.16 1.61 3.64 -1.87 -2.55 116.57 116.23 1qkc h LYS 519 Ca -0.25 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 1qkc h LYS 519 Cb 0.70 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1qkc h LYS 519 CO 0.17 0.42 0.02 -0.40 -2.27 0.00 0.00 179.45 177.39 1qkc n ASP 520 N -3.63 3.41 -3.45 4.20 5.75 -1.26 -4.82 116.55 116.75 1qkc n ASP 520 Ca -0.01 -2.11 -0.21 0.00 -0.01 0.00 0.00 54.79 52.46 1qkc n ASP 520 Cb 0.52 -0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 39.97 1qkc n ASP 520 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qkc n GLY 521 N 0.62 -0.46 3.16 6.12 0.00 -0.96 -4.93 105.19 108.74 1qkc n GLY 521 Ca 0.02 0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1qkc n GLY 521 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qkc s ASN 522 N -2.62 1.76 0.07 1.61 0.02 -1.26 -4.87 114.94 109.66 1qkc s ASN 522 Ca 0.40 -0.47 -0.31 0.00 -1.02 0.00 0.00 52.86 51.46 1qkc s ASN 522 Cb -0.23 -0.12 -0.08 0.00 0.02 0.00 0.00 41.25 40.85 1qkc s ASN 522 CO 0.49 0.04 1.58 -0.63 0.02 0.00 0.00 177.10 178.61 1qkc s ILE 523 N -0.86 3.11 0.61 0.60 -1.09 -1.26 0.57 121.20 122.88 1qkc s ILE 523 Ca 0.02 0.61 -0.19 0.00 -2.23 0.00 0.00 60.65 58.86 1qkc s ILE 523 Cb -0.08 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.38 1qkc s ILE 523 CO 0.01 0.01 1.25 0.49 -1.23 0.00 0.00 174.94 175.47 1qkc n PHE 524 N 5.25 1.82 -2.32 3.97 3.72 -0.38 -4.88 117.46 124.65 1qkc n PHE 524 Ca 0.15 0.43 -0.35 0.00 -0.05 0.00 0.00 57.45 57.63 1qkc n PHE 524 Cb 0.41 -2.27 -0.01 0.00 -0.94 0.00 0.00 39.48 36.67 1qkc n PHE 524 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qkc s ALA 525 N -1.38 2.74 0.89 4.37 0.00 -1.26 -4.08 121.76 123.04 1qkc s ALA 525 Ca 0.79 0.75 -0.12 0.00 0.00 0.00 0.00 51.96 53.38 1qkc s ALA 525 Cb -0.40 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 19.47 1qkc s ALA 525 CO 0.44 -0.66 0.83 -0.35 0.00 0.00 0.00 175.76 176.02 1qkc n PRO 526 N -1.25 -0.19 -3.86 0.00 -0.04 -1.26 -4.62 135.00 123.78 1qkc n PRO 526 Ca 0.11 0.01 -0.23 0.00 -0.04 0.00 0.00 63.50 63.35 1qkc n PRO 526 Cb 0.51 -2.15 -0.02 0.00 -0.04 0.00 0.00 33.50 31.80 1qkc n PRO 526 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1qkc s SER 527 N -2.19 6.32 0.43 3.54 1.04 -0.11 -4.87 113.70 117.85 1qkc s SER 527 Ca 0.65 0.17 0.04 0.00 0.48 0.00 0.00 55.95 57.28 1qkc s SER 527 Cb -0.25 -1.90 -0.05 0.00 0.10 0.00 0.00 66.02 63.92 1qkc s SER 527 CO 0.60 -0.09 0.03 -0.54 0.98 0.00 0.00 173.24 174.22 1qkc s LYS 528 N -3.88 1.98 -0.02 4.02 1.02 -0.65 -0.98 119.74 121.23 1qkc s LYS 528 Ca 0.35 -2.18 0.00 0.00 0.02 0.00 0.00 55.97 54.17 1qkc s LYS 528 Cb -0.10 -1.36 0.03 0.00 -0.52 0.00 0.00 37.83 35.89 1qkc s LYS 528 CO 0.30 -0.22 0.02 0.20 -0.92 0.00 0.00 175.35 174.73 1qkc s GLY 529 N -3.71 0.14 -0.07 -3.33 0.00 -0.72 -0.88 107.32 98.75 1qkc s GLY 529 Ca 0.25 0.26 0.01 0.00 0.00 0.00 0.00 44.72 45.24 1qkc s GLY 529 CO 0.12 0.66 -0.07 0.54 0.00 0.00 0.00 173.10 174.35 1qkc s LYS 530 N 1.04 1.22 -0.03 2.90 -0.14 -0.28 -0.79 119.74 123.66 1qkc s LYS 530 Ca -0.09 -0.21 0.01 0.00 -1.36 0.00 0.00 55.97 54.32 1qkc s LYS 530 Cb -0.13 -1.18 0.01 0.00 -1.68 0.00 0.00 37.83 34.85 1qkc s LYS 530 CO -0.03 -0.11 -0.05 -1.14 -0.76 0.00 0.00 175.35 173.27 1qkc s GLN 531 N 1.11 0.69 -0.18 1.68 0.74 -0.61 0.20 119.66 123.30 1qkc s GLN 531 Ca -0.07 -0.14 -0.05 0.00 0.05 0.00 0.00 55.36 55.15 1qkc s GLN 531 Cb -0.14 -0.70 -0.03 0.00 1.10 0.00 0.00 33.01 33.24 1qkc s GLN 531 CO -0.01 -0.00 -0.01 0.71 -0.55 0.00 0.00 175.29 175.43 1qkc s TYR 532 N 0.53 3.06 -0.05 1.67 2.02 -0.43 -1.94 117.35 122.22 1qkc s TYR 532 Ca -0.07 -0.31 -0.09 0.00 -0.37 0.00 0.00 57.07 56.24 1qkc s TYR 532 Cb -0.10 -2.02 0.02 0.00 -0.40 0.00 0.00 41.96 39.45 1qkc s TYR 532 CO -0.00 -0.09 0.22 -2.00 -1.57 0.00 0.00 175.55 172.11 1qkc s GLU 533 N 0.61 0.39 0.04 -0.62 2.12 -0.50 -0.14 118.70 120.60 1qkc s GLU 533 Ca -0.01 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.37 1qkc s GLU 533 Cb -0.14 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.40 1qkc s GLU 533 CO 0.02 -0.08 -0.04 0.14 -0.54 0.00 0.00 175.26 174.76 1qkc s VAL 534 N -0.51 0.24 0.03 3.70 -7.23 -0.74 0.59 120.40 116.48 1qkc s VAL 534 Ca -0.06 -1.20 -0.19 0.00 -1.81 0.00 0.00 61.98 58.72 1qkc s VAL 534 Cb -0.04 -0.68 0.06 0.00 0.56 0.00 0.00 36.38 36.29 1qkc s VAL 534 CO 0.01 -0.61 0.88 0.61 -0.31 0.00 0.00 175.10 175.68 1qkc n GLY 535 N 1.15 0.46 3.16 2.32 0.00 0.11 -1.15 105.19 111.24 1qkc n GLY 535 Ca -0.21 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 1qkc n GLY 535 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qkc s VAL 536 N -2.09 1.27 -0.18 1.61 -7.23 -0.74 -0.39 120.40 112.64 1qkc s VAL 536 Ca 0.20 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 1qkc s VAL 536 Cb -0.01 -1.10 0.04 0.00 0.56 0.00 0.00 36.38 35.87 1qkc s VAL 536 CO 0.01 0.18 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.35 1qkc s LYS 537 N -0.83 1.91 -0.37 4.82 -0.14 -0.39 -1.53 119.74 123.21 1qkc s LYS 537 Ca 0.05 -0.68 -0.15 0.00 -1.36 0.00 0.00 55.97 53.82 1qkc s LYS 537 Cb -0.07 -2.22 0.00 0.00 -1.68 0.00 0.00 37.83 33.86 1qkc s LYS 537 CO 0.01 -0.39 0.36 -0.47 -0.76 0.00 0.00 175.35 174.10 1qkc s TYR 538 N 1.49 3.21 -0.47 3.18 5.04 0.25 -0.12 117.35 129.92 1qkc s TYR 538 Ca 0.01 -0.21 0.07 0.00 -2.44 0.00 0.00 57.07 54.49 1qkc s TYR 538 Cb -0.15 -2.69 0.23 0.00 0.35 0.00 0.00 41.96 39.70 1qkc s TYR 538 CO -0.09 -0.51 0.54 0.28 -1.34 0.00 0.00 175.55 174.43 1qkc n VAL 539 N 5.27 0.02 -1.91 3.14 0.31 -0.74 -1.32 118.33 123.09 1qkc n VAL 539 Ca -0.09 -4.23 -0.41 0.00 -0.01 0.00 0.00 64.34 59.60 1qkc n VAL 539 Cb 0.49 -1.95 -0.02 0.00 -0.91 0.00 0.00 33.84 31.45 1qkc n VAL 539 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1qkc s PRO 540 N -1.27 4.21 0.39 5.55 0.04 -1.26 -4.77 135.00 137.89 1qkc s PRO 540 Ca 0.35 2.42 0.21 0.00 0.04 0.00 0.00 61.00 64.02 1qkc s PRO 540 Cb 0.13 -3.06 0.56 0.00 0.04 0.00 0.00 34.50 32.16 1qkc s PRO 540 CO -0.11 -0.49 1.67 1.49 0.04 0.00 0.00 177.00 179.60 1qkc h GLU 541 N 4.69 0.00 0.00 4.56 4.57 -1.93 -3.37 114.58 123.10 1qkc h GLU 541 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1qkc h GLU 541 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1qkc h GLU 541 CO 0.76 0.28 0.00 -0.40 -1.18 0.00 0.00 179.01 178.47 1qkc n ASP 542 N -3.28 0.00 -4.81 1.04 5.75 -1.26 -4.92 116.55 109.07 1qkc n ASP 542 Ca 0.01 0.51 -0.32 0.00 -0.01 0.00 0.00 54.79 54.99 1qkc n ASP 542 Cb 0.55 -0.36 0.02 0.00 -1.03 0.00 0.00 41.12 40.29 1qkc n ASP 542 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1qkc s ARG 543 N -1.24 3.20 -1.22 0.11 0.52 -1.26 -4.98 118.95 114.08 1qkc s ARG 543 Ca 0.00 1.11 -0.05 0.00 -0.52 0.00 0.00 55.73 56.27 1qkc s ARG 543 Cb 0.00 -2.02 0.20 0.00 0.52 0.00 0.00 34.95 33.65 1qkc s ARG 543 CO 0.00 -0.90 2.07 -0.35 0.02 0.00 0.00 175.30 176.15 1qkc n PRO 544 N -2.41 4.64 -4.07 3.54 -0.04 -1.26 -4.70 135.00 130.69 1qkc n PRO 544 Ca 0.08 -3.88 -0.15 0.00 -0.04 0.00 0.00 63.50 59.51 1qkc n PRO 544 Cb 0.53 -2.63 -0.14 0.00 -0.04 0.00 0.00 33.50 31.22 1qkc n PRO 544 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1qkc s ILE 545 N -1.86 0.29 -0.03 0.52 -4.36 -1.26 -2.42 121.20 112.08 1qkc s ILE 545 Ca 0.46 -0.15 0.04 0.00 -0.26 0.00 0.00 60.65 60.74 1qkc s ILE 545 Cb 0.16 -0.26 -0.01 0.00 1.25 0.00 0.00 42.46 43.61 1qkc s ILE 545 CO -0.07 0.09 -0.16 -0.69 0.24 0.00 0.00 174.94 174.35 1qkc s VAL 546 N -0.02 1.32 -0.03 8.37 1.01 -0.17 -4.26 120.40 126.62 1qkc s VAL 546 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1qkc s VAL 546 Cb -0.02 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.26 1qkc s VAL 546 CO -0.00 0.38 0.00 -0.69 0.00 0.00 0.00 175.10 174.79 1qkc s VAL 547 N -0.07 0.19 0.01 2.92 1.01 -0.44 -2.36 120.40 121.67 1qkc s VAL 547 Ca -0.01 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.11 1qkc s VAL 547 Cb -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 1qkc s VAL 547 CO 0.01 0.16 -0.11 0.28 0.00 0.00 0.00 175.10 175.44 1qkc s THR 548 N 1.13 0.83 0.06 3.92 -1.32 -0.80 0.86 115.64 120.31 1qkc s THR 548 Ca -0.08 -0.67 0.03 0.00 -1.21 0.00 0.00 61.69 59.76 1qkc s THR 548 Cb -0.13 -0.74 -0.03 0.00 -1.51 0.00 0.00 72.50 70.09 1qkc s THR 548 CO -0.02 0.07 -0.09 -0.83 -2.21 0.00 0.00 174.62 171.54 1qkc s GLY 549 N -0.67 0.65 -0.15 6.08 0.00 -0.58 -1.24 107.32 111.41 1qkc s GLY 549 Ca 0.01 -0.94 -0.30 0.00 0.00 0.00 0.00 44.72 43.50 1qkc s GLY 549 CO 0.00 -0.99 0.97 0.00 0.00 0.00 0.00 173.10 173.08 1qkc s ALA 550 N -1.77 -1.92 -0.01 3.20 0.00 0.65 -1.80 121.76 120.12 1qkc s ALA 550 Ca -0.04 1.57 0.01 0.00 0.00 0.00 0.00 51.96 53.50 1qkc s ALA 550 Cb -0.07 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1qkc s ALA 550 CO 0.00 -0.31 -0.02 0.54 0.00 0.00 0.00 175.76 175.97 1qkc s VAL 551 N -1.07 0.19 0.20 0.00 0.11 -0.30 0.21 120.40 119.74 1qkc s VAL 551 Ca -0.02 -0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 58.94 1qkc s VAL 551 Cb -0.01 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.62 1qkc s VAL 551 CO 0.02 0.07 0.11 -0.72 -3.33 0.00 0.00 175.10 171.25 1qkc s TYR 552 N 0.08 1.17 -0.30 1.54 -0.85 0.10 -1.79 117.35 117.30 1qkc s TYR 552 Ca -0.00 -1.33 -0.02 0.00 -0.52 0.00 0.00 57.07 55.19 1qkc s TYR 552 Cb -0.03 -0.60 0.10 0.00 0.38 0.00 0.00 41.96 41.82 1qkc s TYR 552 CO -0.00 -0.58 0.11 1.21 -1.52 0.00 0.00 175.55 174.77 1qkc s ASN 553 N -3.17 3.82 -0.14 -0.18 3.84 0.80 -1.57 114.94 118.34 1qkc s ASN 553 Ca 0.37 -1.49 -0.06 0.00 0.21 0.00 0.00 52.86 51.90 1qkc s ASN 553 Cb 0.07 -0.65 -0.04 0.00 -0.55 0.00 0.00 41.25 40.08 1qkc s ASN 553 CO 0.11 -0.42 0.05 -0.22 -2.79 0.00 0.00 177.10 173.82 1qkc s LEU 554 N 1.81 3.80 -0.04 3.21 2.96 0.27 -1.31 118.68 129.38 1qkc s LEU 554 Ca 0.09 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 1qkc s LEU 554 Cb -0.17 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.61 1qkc s LEU 554 CO -0.30 0.27 -0.08 0.42 -1.32 0.00 0.00 176.35 175.34 1qkc s THR 555 N -0.20 0.79 -0.27 3.68 -4.23 0.13 0.28 115.64 115.83 1qkc s THR 555 Ca 0.07 -0.31 -0.08 0.00 -1.18 0.00 0.00 61.69 60.20 1qkc s THR 555 Cb -0.12 -0.75 -0.02 0.00 1.34 0.00 0.00 72.50 72.95 1qkc s THR 555 CO 0.01 0.27 0.09 -0.75 -0.54 0.00 0.00 174.62 173.71 1qkc s LYS 556 N 0.59 3.54 0.23 3.99 2.20 0.43 -1.13 119.74 129.60 1qkc s LYS 556 Ca -0.10 -0.56 0.06 0.00 -0.36 0.00 0.00 55.97 55.01 1qkc s LYS 556 Cb -0.13 -3.39 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 1qkc s LYS 556 CO 0.01 -0.26 0.27 0.99 -0.36 0.00 0.00 175.35 176.00 1qkc s THR 557 N 1.61 4.87 -1.44 3.43 2.01 -0.06 -1.61 115.64 124.44 1qkc s THR 557 Ca 0.06 -1.14 -0.08 0.00 0.31 0.00 0.00 61.69 60.83 1qkc s THR 557 Cb -0.16 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 68.78 1qkc s THR 557 CO 0.04 -0.30 0.88 -3.20 -0.69 0.00 0.00 174.62 171.36 1qkc n ASN 558 N -1.16 -3.46 -4.82 3.53 5.15 -0.78 -1.63 115.26 112.09 1qkc n ASN 558 Ca -0.08 -0.78 -0.33 0.00 -0.60 0.00 0.00 54.58 52.79 1qkc n ASN 558 Cb 0.57 -4.01 -0.04 0.00 -0.53 0.00 0.00 39.78 35.77 1qkc n ASN 558 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1qkc s ASN 559 N -3.73 6.52 0.19 1.20 2.47 0.21 -4.39 114.94 117.41 1qkc s ASN 559 Ca 0.40 1.71 -0.30 0.00 0.42 0.00 0.00 52.86 55.09 1qkc s ASN 559 Cb -0.20 -2.53 -0.08 0.00 -1.45 0.00 0.00 41.25 36.99 1qkc s ASN 559 CO 0.82 -0.66 0.99 -0.76 -3.72 0.00 0.00 177.10 173.77 1qkc s LEU 560 N -3.80 4.57 0.07 3.21 1.43 -1.26 -0.98 118.68 121.92 1qkc s LEU 560 Ca 0.62 1.95 0.01 0.00 -1.03 0.00 0.00 54.13 55.68 1qkc s LEU 560 Cb -0.12 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1qkc s LEU 560 CO 0.25 0.00 -0.06 0.00 0.23 0.00 0.00 176.35 176.77 1qkc s MET 561 N -0.69 0.67 0.28 1.70 0.23 -0.48 -4.85 119.30 116.16 1qkc s MET 561 Ca 0.45 -1.08 -0.28 0.00 -1.03 0.00 0.00 55.69 53.75 1qkc s MET 561 Cb -0.26 -0.15 -0.14 0.00 -1.53 0.00 0.00 34.83 32.74 1qkc s MET 561 CO 0.33 -0.01 0.92 0.00 -2.03 0.00 0.00 175.02 174.22 1qkc n ALA 562 N 0.58 -0.66 -1.86 3.16 0.00 -1.26 0.11 120.51 120.58 1qkc n ALA 562 Ca -0.17 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 1qkc n ALA 562 Cb 0.58 -1.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 1qkc n ALA 562 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qkc s ASP 563 N -0.65 6.51 0.57 0.00 2.15 -1.23 -4.42 116.67 119.62 1qkc s ASP 563 Ca 0.60 2.70 0.27 0.00 0.43 0.00 0.00 52.55 56.55 1qkc s ASP 563 Cb -0.73 -2.59 1.55 0.00 -0.30 0.00 0.00 42.92 40.85 1qkc s ASP 563 CO 0.59 -0.89 2.04 -0.65 -0.17 0.00 0.00 175.17 176.09 1qkc h PRO 564 N 6.97 0.00 -0.01 4.34 0.11 -1.92 0.24 132.00 141.74 1qkc h PRO 564 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1qkc h PRO 564 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1qkc h PRO 564 CO 0.93 0.00 -0.35 0.39 -0.21 0.00 0.00 178.00 178.76 1qkc n GLU 565 N -3.93 1.05 -2.53 1.05 -0.58 -1.26 -5.04 120.64 109.40 1qkc n GLU 565 Ca 0.04 -0.76 -0.05 0.00 -0.42 0.00 0.00 57.16 55.97 1qkc n GLU 565 Cb 0.45 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.79 1qkc n GLU 565 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qkc n GLY 566 N 1.37 -5.14 2.69 0.62 0.00 0.85 -5.05 105.19 100.54 1qkc n GLY 566 Ca 0.11 1.65 -0.08 0.00 0.00 0.00 0.00 46.02 47.70 1qkc n GLY 566 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qkc n SER 567 N 1.56 -1.25 0.00 1.61 3.41 -1.26 -5.00 113.62 112.69 1qkc n SER 567 Ca -0.39 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 1qkc n SER 567 Cb 0.60 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 1qkc n SER 567 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1qkc n PHE 568 N -0.45 0.00 -3.59 7.33 3.01 -1.26 -4.82 117.46 117.68 1qkc n PHE 568 Ca -0.00 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.09 1qkc n PHE 568 Cb 0.84 -0.09 -0.06 0.00 -0.01 0.00 0.00 39.48 40.15 1qkc n PHE 568 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1qkc s PHE 569 N 0.00 3.69 0.25 1.38 0.08 -1.26 -5.05 117.98 117.06 1qkc s PHE 569 Ca 0.00 0.87 -0.06 0.00 0.12 0.00 0.00 56.93 57.86 1qkc s PHE 569 Cb 0.00 -2.20 -0.06 0.00 -0.57 0.00 0.00 43.02 40.19 1qkc s PHE 569 CO 0.00 0.65 0.51 -1.54 -0.10 0.00 0.00 175.22 174.75 1qkc s SER 570 N -1.16 6.49 -0.17 1.36 1.04 -1.26 -3.48 113.70 116.52 1qkc s SER 570 Ca 0.23 0.72 -0.02 0.00 0.48 0.00 0.00 55.95 57.37 1qkc s SER 570 Cb -0.15 -2.15 -0.01 0.00 0.10 0.00 0.00 66.02 63.81 1qkc s SER 570 CO 0.12 -0.12 -0.09 -0.69 0.98 0.00 0.00 173.24 173.44 1qkc s VAL 571 N -1.94 3.18 0.98 5.02 1.01 0.31 -4.74 120.40 124.22 1qkc s VAL 571 Ca 0.44 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1qkc s VAL 571 Cb -0.11 -2.39 0.17 0.00 0.00 0.00 0.00 36.38 34.05 1qkc s VAL 571 CO 0.27 0.48 1.09 -1.83 0.00 0.00 0.00 175.10 175.11 1qkc s GLU 572 N 0.89 0.61 0.00 2.72 -1.05 -1.26 -1.38 118.70 119.24 1qkc s GLU 572 Ca -0.02 0.63 0.00 0.00 -0.15 0.00 0.00 54.97 55.43 1qkc s GLU 572 Cb -0.15 -1.75 0.00 0.00 -0.44 0.00 0.00 34.13 31.79 1qkc s GLU 572 CO 0.00 -2.64 0.00 0.41 0.95 0.00 0.00 175.26 173.99 1qkc n GLY 573 N -1.00 0.82 3.41 -3.83 0.00 -1.07 -4.82 105.19 98.70 1qkc n GLY 573 Ca 0.06 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1qkc n GLY 573 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qkc n GLY 574 N 0.00 -2.02 3.07 -0.02 0.00 -0.15 -4.27 105.19 101.80 1qkc n GLY 574 Ca 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 1qkc n GLY 574 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qkc s GLU 575 N -3.50 0.47 -0.00 1.61 2.12 -0.72 0.65 118.70 119.32 1qkc s GLU 575 Ca 0.57 -0.61 -0.00 0.00 0.36 0.00 0.00 54.97 55.29 1qkc s GLU 575 Cb -0.23 0.18 -0.00 0.00 0.26 0.00 0.00 34.13 34.35 1qkc s GLU 575 CO 0.67 -0.11 0.01 0.42 -0.54 0.00 0.00 175.26 175.71 1qkc s ILE 576 N -1.90 0.01 0.00 -3.70 1.01 -0.64 -1.66 121.20 114.32 1qkc s ILE 576 Ca -0.11 -0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.54 1qkc s ILE 576 Cb -0.06 -0.04 -0.03 0.00 0.01 0.00 0.00 42.46 42.34 1qkc s ILE 576 CO -0.02 -0.04 -0.19 -0.60 0.00 0.00 0.00 174.94 174.10 1qkc s ARG 577 N -0.10 2.20 -0.32 2.79 3.52 0.63 -0.43 118.95 127.24 1qkc s ARG 577 Ca -0.01 -0.89 -0.00 0.00 -0.13 0.00 0.00 55.73 54.70 1qkc s ARG 577 Cb -0.01 -2.21 0.10 0.00 -1.56 0.00 0.00 34.95 31.28 1qkc s ARG 577 CO -0.00 0.57 0.10 0.00 -0.81 0.00 0.00 175.30 175.16 1qkc s ALA 578 N -0.80 1.69 -0.07 6.12 0.00 0.81 0.74 121.76 130.25 1qkc s ALA 578 Ca 0.13 -1.81 0.01 0.00 0.00 0.00 0.00 51.96 50.29 1qkc s ALA 578 Cb -0.10 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 1qkc s ALA 578 CO 0.02 -1.70 -0.08 -0.98 0.00 0.00 0.00 175.76 173.02 1qkc s ARG 579 N 1.47 2.75 0.05 0.00 1.70 0.08 0.95 118.95 125.95 1qkc s ARG 579 Ca 0.11 -0.57 -0.25 0.00 -0.47 0.00 0.00 55.73 54.54 1qkc s ARG 579 Cb -0.18 -2.57 0.09 0.00 -0.57 0.00 0.00 34.95 31.72 1qkc s ARG 579 CO -0.22 0.64 1.17 0.41 -1.08 0.00 0.00 175.30 176.22 1qkc n GLY 580 N 2.29 0.36 3.09 3.88 0.00 -0.61 0.08 105.19 114.28 1qkc n GLY 580 Ca -0.18 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.56 1qkc n GLY 580 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qkc s VAL 581 N -2.04 0.97 -0.01 1.61 1.01 -0.19 0.01 120.40 121.76 1qkc s VAL 581 Ca 0.27 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1qkc s VAL 581 Cb -0.01 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.53 1qkc s VAL 581 CO 0.02 0.16 -0.01 -1.61 0.00 0.00 0.00 175.10 173.66 1qkc s GLU 582 N -0.58 0.11 -0.01 2.72 2.02 0.13 0.10 118.70 123.19 1qkc s GLU 582 Ca 0.03 -0.01 -0.01 0.00 0.02 0.00 0.00 54.97 55.00 1qkc s GLU 582 Cb -0.06 -0.15 -0.00 0.00 0.10 0.00 0.00 34.13 34.02 1qkc s GLU 582 CO 0.00 -0.01 0.02 0.96 0.02 0.00 0.00 175.26 176.26 1qkc s ILE 583 N 0.19 0.02 0.05 -1.63 -4.36 -0.32 -0.25 121.20 114.90 1qkc s ILE 583 Ca -0.02 -0.14 -0.08 0.00 -0.26 0.00 0.00 60.65 60.16 1qkc s ILE 583 Cb -0.03 -0.09 -0.00 0.00 1.25 0.00 0.00 42.46 43.59 1qkc s ILE 583 CO -0.01 -0.08 0.16 -0.70 0.24 0.00 0.00 174.94 174.55 1qkc s GLU 584 N -0.22 0.70 -0.18 0.37 2.12 -0.37 -0.43 118.70 120.70 1qkc s GLU 584 Ca -0.02 -0.77 -0.15 0.00 0.36 0.00 0.00 54.97 54.38 1qkc s GLU 584 Cb -0.02 0.28 0.05 0.00 0.26 0.00 0.00 34.13 34.70 1qkc s GLU 584 CO -0.00 -0.20 0.47 0.00 -0.54 0.00 0.00 175.26 174.99 1qkc s ALA 585 N -2.96 -1.17 -0.03 6.30 0.00 0.32 -1.91 121.76 122.32 1qkc s ALA 585 Ca -0.02 1.38 -0.01 0.00 0.00 0.00 0.00 51.96 53.31 1qkc s ALA 585 Cb 0.01 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.34 1qkc s ALA 585 CO -0.06 -0.23 0.06 0.15 0.00 0.00 0.00 175.76 175.68 1qkc s LYS 586 N 0.43 0.02 0.33 0.00 1.02 -0.99 0.32 119.74 120.87 1qkc s LYS 586 Ca -0.01 0.18 -0.03 0.00 0.02 0.00 0.00 55.97 56.12 1qkc s LYS 586 Cb -0.04 -0.13 -0.00 0.00 -0.52 0.00 0.00 37.83 37.14 1qkc s LYS 586 CO -0.02 -0.10 0.45 0.00 -0.92 0.00 0.00 175.35 174.76 1qkc s ALA 587 N 0.68 0.75 -0.44 5.17 0.00 0.90 -1.00 121.76 127.83 1qkc s ALA 587 Ca -0.05 -1.50 0.08 0.00 0.00 0.00 0.00 51.96 50.49 1qkc s ALA 587 Cb -0.08 1.17 0.27 0.00 0.00 0.00 0.00 23.12 24.49 1qkc s ALA 587 CO -0.02 -0.78 0.62 0.00 0.00 0.00 0.00 175.76 175.58 1qkc n ALA 588 N -0.54 2.77 0.00 0.00 0.00 -1.02 -2.56 120.51 119.16 1qkc n ALA 588 Ca 0.01 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.73 1qkc n ALA 588 Cb 0.62 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1qkc n ALA 588 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1qkc n LEU 589 N 1.01 0.00 -3.61 0.00 4.77 -0.69 -4.73 117.00 113.75 1qkc n LEU 589 Ca 0.24 0.35 -0.02 0.00 -0.03 0.00 0.00 56.01 56.55 1qkc n LEU 589 Cb 0.52 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1qkc n LEU 589 CO 0.23 -0.35 1.08 -0.55 -1.33 0.00 0.00 177.39 176.47 1qkc s SER 590 N -2.67 -0.08 0.00 -1.43 0.15 -0.96 -4.82 113.70 103.88 1qkc s SER 590 Ca 0.00 -0.03 0.15 0.00 0.70 0.00 0.00 55.95 56.77 1qkc s SER 590 Cb 0.00 0.11 0.90 0.00 -1.71 0.00 0.00 66.02 65.32 1qkc s SER 590 CO 0.00 -0.19 1.36 0.00 1.20 0.00 0.00 173.24 175.62 1qkc n ALA 591 N -0.20 2.25 0.00 5.45 0.00 -1.26 -2.55 120.51 124.20 1qkc n ALA 591 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1qkc n ALA 591 Cb 0.59 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1qkc n ALA 591 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qkc n SER 592 N -0.86 4.17 -4.49 0.00 3.41 -1.26 -4.85 113.62 109.74 1qkc n SER 592 Ca 0.11 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.38 1qkc n SER 592 Cb 0.05 0.63 -0.12 0.00 -0.26 0.00 0.00 64.21 64.51 1qkc n SER 592 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qkc s VAL 593 N -1.75 3.90 -0.03 -3.33 1.01 -1.06 -0.87 120.40 118.28 1qkc s VAL 593 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1qkc s VAL 593 Cb 0.00 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1qkc s VAL 593 CO 0.00 0.48 -0.03 0.20 0.00 0.00 0.00 175.10 175.75 1qkc s ASN 594 N 0.48 0.72 0.02 3.32 0.02 -0.90 -1.71 114.94 116.90 1qkc s ASN 594 Ca -0.03 -0.09 0.04 0.00 -1.02 0.00 0.00 52.86 51.76 1qkc s ASN 594 Cb -0.14 -0.31 -0.02 0.00 0.02 0.00 0.00 41.25 40.80 1qkc s ASN 594 CO 0.03 -0.04 -0.12 0.68 0.02 0.00 0.00 177.10 177.66 1qkc s VAL 595 N 0.74 0.93 -0.11 1.60 -7.23 -1.06 -1.02 120.40 114.25 1qkc s VAL 595 Ca -0.09 -0.81 -0.07 0.00 -1.81 0.00 0.00 61.98 59.20 1qkc s VAL 595 Cb -0.12 -0.84 0.04 0.00 0.56 0.00 0.00 36.38 36.02 1qkc s VAL 595 CO -0.00 0.03 0.26 -0.69 -0.31 0.00 0.00 175.10 174.39 1qkc s VAL 596 N -0.71 -0.03 0.15 1.32 1.01 0.23 -0.07 120.40 122.31 1qkc s VAL 596 Ca 0.01 0.09 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 1qkc s VAL 596 Cb -0.07 -0.39 0.07 0.00 0.00 0.00 0.00 36.38 35.99 1qkc s VAL 596 CO 0.01 0.04 0.71 -0.83 0.00 0.00 0.00 175.10 175.02 1qkc s GLY 597 N 0.90 -0.45 0.07 4.51 0.00 0.15 0.24 107.32 112.74 1qkc s GLY 597 Ca -0.06 0.40 -0.26 0.00 0.00 0.00 0.00 44.72 44.80 1qkc s GLY 597 CO -0.06 0.13 0.75 -1.35 0.00 0.00 0.00 173.10 172.58 1qkc s SER 598 N -2.75 -0.46 -0.01 1.64 1.04 0.27 0.12 113.70 113.54 1qkc s SER 598 Ca 0.05 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1qkc s SER 598 Cb -0.02 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.60 1qkc s SER 598 CO -0.07 -0.78 -0.01 -0.47 0.98 0.00 0.00 173.24 172.89 1qkc s TYR 599 N -3.39 0.21 -0.07 5.02 5.04 0.43 0.27 117.35 124.86 1qkc s TYR 599 Ca 0.03 -0.00 0.02 0.00 -2.44 0.00 0.00 57.07 54.67 1qkc s TYR 599 Cb -0.01 -0.24 0.02 0.00 0.35 0.00 0.00 41.96 42.08 1qkc s TYR 599 CO -0.11 -0.06 -0.11 0.99 -1.34 0.00 0.00 175.55 174.93 1qkc s THR 600 N 0.47 1.06 -0.25 4.34 2.01 0.72 -1.17 115.64 122.82 1qkc s THR 600 Ca -0.04 -0.41 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 1qkc s THR 600 Cb -0.07 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.46 1qkc s THR 600 CO -0.01 0.35 -0.05 -0.47 -0.69 0.00 0.00 174.62 173.75 1qkc s TYR 601 N 0.88 3.05 -0.15 4.92 5.04 0.11 -1.27 117.35 129.94 1qkc s TYR 601 Ca -0.11 -1.41 -0.00 0.00 -2.44 0.00 0.00 57.07 53.11 1qkc s TYR 601 Cb -0.15 -2.08 0.03 0.00 0.35 0.00 0.00 41.96 40.11 1qkc s TYR 601 CO 0.01 -0.69 -0.08 0.99 -1.34 0.00 0.00 175.55 174.45 1qkc s THR 602 N 1.36 1.19 -0.40 4.34 2.01 0.26 -1.02 115.64 123.39 1qkc s THR 602 Ca 0.01 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.48 1qkc s THR 602 Cb -0.16 -1.27 0.11 0.00 0.01 0.00 0.00 72.50 71.18 1qkc s THR 602 CO -0.04 0.25 0.13 -0.62 -0.69 0.00 0.00 174.62 173.65 1qkc s ASP 603 N 1.62 4.78 -0.18 3.53 -1.08 0.11 -4.18 116.67 121.27 1qkc s ASP 603 Ca 0.02 -2.33 -0.08 0.00 -0.52 0.00 0.00 52.55 49.65 1qkc s ASP 603 Cb -0.14 -1.67 -0.04 0.00 -1.46 0.00 0.00 42.92 39.61 1qkc s ASP 603 CO -0.08 -0.38 0.07 0.00 0.52 0.00 0.00 175.17 175.30 1qkc s ALA 604 N 0.67 3.47 -0.05 3.66 0.00 -1.26 -0.75 121.76 127.51 1qkc s ALA 604 Ca 0.12 -0.73 -0.13 0.00 0.00 0.00 0.00 51.96 51.22 1qkc s ALA 604 Cb -0.21 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 20.99 1qkc s ALA 604 CO -0.06 0.22 0.31 -2.00 0.00 0.00 0.00 175.76 174.23 1qkc s GLU 605 N 0.24 0.56 -0.49 0.00 2.12 0.23 -4.37 118.70 116.98 1qkc s GLU 605 Ca 0.05 0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.11 1qkc s GLU 605 Cb -0.12 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.55 1qkc s GLU 605 CO 0.00 -0.13 1.12 0.71 -0.54 0.00 0.00 175.26 176.42 1qkc s TYR 606 N -0.82 2.80 0.09 5.30 2.02 -1.17 -0.27 117.35 125.30 1qkc s TYR 606 Ca -0.09 0.64 -0.12 0.00 -0.37 0.00 0.00 57.07 57.14 1qkc s TYR 606 Cb -0.04 -4.41 -0.19 0.00 -0.40 0.00 0.00 41.96 36.92 1qkc s TYR 606 CO 0.03 -1.29 1.23 1.79 -1.57 0.00 0.00 175.55 175.73 1qkc h THR 607 N 6.22 1.30 -3.33 -0.71 1.35 -1.66 0.17 112.91 116.24 1qkc h THR 607 Ca -0.23 -2.26 -0.23 0.00 -0.55 0.00 0.00 66.41 63.14 1qkc h THR 607 Cb 1.06 2.34 -0.30 0.00 -1.73 0.00 0.00 68.15 69.52 1qkc h THR 607 CO 1.13 0.69 -0.60 -0.89 -0.25 0.00 0.00 175.52 175.60 1qkc s THR 608 N -3.36 -0.03 0.00 6.82 2.01 -0.98 -4.86 115.64 115.25 1qkc s THR 608 Ca -0.09 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1qkc s THR 608 Cb 0.07 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.37 1qkc s THR 608 CO 0.91 0.05 0.00 -0.67 -0.69 0.00 0.00 174.62 174.22 1qkc n ASP 609 N 3.77 0.00 -0.04 3.53 -0.08 -1.26 -1.76 116.55 120.71 1qkc n ASP 609 Ca -0.21 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.02 1qkc n ASP 609 Cb 0.54 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.97 1qkc n ASP 609 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1qkc h THR 610 N 0.00 0.00 0.00 5.18 2.02 -1.91 -3.39 112.91 114.80 1qkc h THR 610 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1qkc h THR 610 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1qkc h THR 610 CO 0.00 0.00 0.00 0.41 0.37 0.00 0.00 175.52 176.30 1qkc n THR 611 N -3.57 0.00 -1.30 3.16 -1.04 -1.26 -4.91 114.28 105.36 1qkc n THR 611 Ca -0.01 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.60 1qkc n THR 611 Cb 0.11 -0.10 0.01 0.00 -1.82 0.00 0.00 70.33 68.53 1qkc n THR 611 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1qkc n TYR 612 N 0.00 -2.24 -3.64 -1.42 4.01 -1.26 -5.00 117.16 107.60 1qkc n TYR 612 Ca 0.00 0.51 -0.02 0.00 -0.16 0.00 0.00 57.90 58.23 1qkc n TYR 612 Cb 0.00 -1.77 -0.06 0.00 -0.31 0.00 0.00 39.34 37.20 1qkc n TYR 612 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1qkc s LYS 613 N -1.17 0.38 0.00 -0.72 2.20 -1.26 -4.11 119.74 115.06 1qkc s LYS 613 Ca 0.59 0.66 0.00 0.00 -0.36 0.00 0.00 55.97 56.86 1qkc s LYS 613 Cb -0.54 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 35.86 1qkc s LYS 613 CO 0.63 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.95 1qkc n GLY 614 N 3.72 0.30 3.92 5.54 0.00 0.58 -4.89 105.19 114.36 1qkc n GLY 614 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 1qkc n GLY 614 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qkc s ASN 615 N -2.20 6.36 0.02 1.61 -0.87 -1.26 -4.75 114.94 113.86 1qkc s ASN 615 Ca 0.00 0.68 -0.11 0.00 -1.57 0.00 0.00 52.86 51.86 1qkc s ASN 615 Cb 0.00 -2.13 -0.05 0.00 -0.02 0.00 0.00 41.25 39.04 1qkc s ASN 615 CO 0.00 -0.31 0.36 -0.89 -2.57 0.00 0.00 177.10 173.69 1qkc s THR 616 N -2.31 5.13 0.33 1.60 2.01 -1.26 -3.06 115.64 118.08 1qkc s THR 616 Ca 0.43 0.54 -0.29 0.00 0.31 0.00 0.00 61.69 62.69 1qkc s THR 616 Cb -0.10 -3.64 -0.10 0.00 0.01 0.00 0.00 72.50 68.67 1qkc s THR 616 CO 0.35 0.44 1.32 -2.84 -0.69 0.00 0.00 174.62 173.20 1qkc s PRO 617 N -1.49 4.34 1.18 4.92 0.02 -1.26 -4.80 135.00 137.90 1qkc s PRO 617 Ca 0.27 2.24 -0.13 0.00 0.02 0.00 0.00 61.00 63.40 1qkc s PRO 617 Cb -0.15 -3.07 0.29 0.00 0.02 0.00 0.00 34.50 31.60 1qkc s PRO 617 CO 0.15 -0.22 1.02 0.00 -0.33 0.00 0.00 177.00 177.62 1qkc s ALA 618 N -1.08 -0.62 -0.30 -1.55 0.00 -1.26 -3.44 121.76 113.52 1qkc s ALA 618 Ca 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1qkc s ALA 618 Cb -0.40 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1qkc s ALA 618 CO 0.53 -3.96 0.00 1.04 0.00 0.00 0.00 175.76 173.37 1qkc n GLN 619 N -5.00 -1.89 -3.88 0.00 6.02 -0.85 -4.94 117.38 106.84 1qkc n GLN 619 Ca 0.03 0.59 -0.30 0.00 -0.01 0.00 0.00 57.00 57.31 1qkc n GLN 619 Cb 0.54 -5.04 -0.16 0.00 1.02 0.00 0.00 30.24 26.60 1qkc n GLN 619 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1qkc s VAL 620 N -1.26 1.30 0.51 5.09 0.11 -1.22 -4.91 120.40 120.02 1qkc s VAL 620 Ca 0.00 -1.14 -0.18 0.00 -2.93 0.00 0.00 61.98 57.72 1qkc s VAL 620 Cb 0.00 -1.66 -0.08 0.00 -1.53 0.00 0.00 36.38 33.11 1qkc s VAL 620 CO 0.00 -0.19 1.00 -2.16 -3.33 0.00 0.00 175.10 170.43 1qkc s PRO 621 N 1.49 3.84 0.07 1.54 0.04 -1.26 -4.65 135.00 136.07 1qkc s PRO 621 Ca -0.03 1.13 -0.16 0.00 0.04 0.00 0.00 61.00 61.98 1qkc s PRO 621 Cb -0.18 -2.11 -0.14 0.00 0.04 0.00 0.00 34.50 32.10 1qkc s PRO 621 CO -0.08 -0.37 1.31 0.87 0.04 0.00 0.00 177.00 178.77 1qkc h LYS 622 N 1.17 0.62 -6.23 4.56 1.57 -1.73 -3.41 116.57 113.11 1qkc h LYS 622 Ca -0.48 -0.43 -0.69 0.00 -1.87 0.00 0.00 60.65 57.18 1qkc h LYS 622 Cb 1.20 0.07 -0.23 0.00 0.08 0.00 0.00 32.23 33.35 1qkc h LYS 622 CO 0.60 1.05 -0.76 -1.01 -0.57 0.00 0.00 179.45 178.76 1qkc s HIS 623 N -3.94 2.75 -0.16 -1.35 3.76 -1.26 -0.57 115.29 114.51 1qkc s HIS 623 Ca -0.12 -0.16 -0.13 0.00 -0.15 0.00 0.00 55.06 54.50 1qkc s HIS 623 Cb 0.07 -1.66 0.04 0.00 1.11 0.00 0.00 32.58 32.15 1qkc s HIS 623 CO 0.84 0.19 0.41 -1.64 -0.85 0.00 0.00 174.74 173.68 1qkc s MET 624 N -0.68 0.46 0.03 1.40 -1.94 -0.39 -0.17 119.30 118.01 1qkc s MET 624 Ca 0.10 0.61 -0.25 0.00 -1.71 0.00 0.00 55.69 54.44 1qkc s MET 624 Cb -0.11 0.18 0.06 0.00 2.01 0.00 0.00 34.83 36.97 1qkc s MET 624 CO 0.01 -0.08 0.58 0.00 -0.01 0.00 0.00 175.02 175.52 1qkc s ALA 625 N 0.45 -1.51 -0.05 3.03 0.00 -0.55 0.26 121.76 123.39 1qkc s ALA 625 Ca -0.02 0.81 -0.20 0.00 0.00 0.00 0.00 51.96 52.55 1qkc s ALA 625 Cb -0.04 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.46 1qkc s ALA 625 CO -0.02 -0.50 0.45 -1.54 0.00 0.00 0.00 175.76 174.15 1qkc s SER 626 N -1.83 -0.38 -0.10 0.00 1.04 0.14 -0.18 113.70 112.39 1qkc s SER 626 Ca -0.06 0.40 -0.08 0.00 0.48 0.00 0.00 55.95 56.69 1qkc s SER 626 Cb -0.01 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.62 1qkc s SER 626 CO 0.00 -0.46 0.26 -0.22 0.98 0.00 0.00 173.24 173.80 1qkc s LEU 627 N -1.08 0.84 -0.20 2.42 2.96 -0.61 0.95 118.68 123.96 1qkc s LEU 627 Ca -0.11 0.53 -0.14 0.00 -0.22 0.00 0.00 54.13 54.19 1qkc s LEU 627 Cb -0.03 0.86 0.06 0.00 0.50 0.00 0.00 46.19 47.58 1qkc s LEU 627 CO 0.06 -0.11 0.51 0.86 -1.32 0.00 0.00 176.35 176.35 1qkc s TRP 628 N 0.44 -0.68 0.00 5.38 -0.00 0.67 -0.30 118.94 124.44 1qkc s TRP 628 Ca -0.02 1.51 -0.03 0.00 -0.00 0.00 0.00 56.10 57.55 1qkc s TRP 628 Cb -0.04 0.31 -0.01 0.00 -0.00 0.00 0.00 33.47 33.74 1qkc s TRP 628 CO -0.02 -0.35 0.04 0.00 -0.00 0.00 0.00 176.95 176.62 1qkc s ALA 629 N 0.97 -0.09 0.24 5.86 0.00 -0.77 0.75 121.76 128.71 1qkc s ALA 629 Ca -0.06 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 51.77 1qkc s ALA 629 Cb -0.06 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 1qkc s ALA 629 CO -0.08 -0.13 -0.11 0.16 0.00 0.00 0.00 175.76 175.59 1qkc s ASP 630 N -0.94 2.71 -0.02 0.00 1.47 -0.19 -1.88 116.67 117.81 1qkc s ASP 630 Ca -0.10 -1.09 -0.01 0.00 1.18 0.00 0.00 52.55 52.53 1qkc s ASP 630 Cb -0.06 -0.16 0.01 0.00 -0.34 0.00 0.00 42.92 42.37 1qkc s ASP 630 CO 0.00 -0.22 0.06 -0.47 0.68 0.00 0.00 175.17 175.21 1qkc s TYR 631 N -2.96 -0.05 -0.07 2.11 6.14 -0.70 -2.11 117.35 119.71 1qkc s TYR 631 Ca 0.26 0.18 0.04 0.00 0.64 0.00 0.00 57.07 58.19 1qkc s TYR 631 Cb 0.01 -0.05 -0.00 0.00 0.42 0.00 0.00 41.96 42.34 1qkc s TYR 631 CO 0.09 -0.06 -0.22 0.99 0.64 0.00 0.00 175.55 177.00 1qkc s THR 632 N 0.38 1.83 -0.14 4.34 2.01 -0.05 0.13 115.64 124.15 1qkc s THR 632 Ca -0.03 -0.91 -0.17 0.00 0.31 0.00 0.00 61.69 60.89 1qkc s THR 632 Cb -0.04 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1qkc s THR 632 CO -0.01 0.51 0.41 -0.36 -0.69 0.00 0.00 174.62 174.48 1qkc s PHE 633 N 0.19 3.48 -0.52 4.92 0.08 0.12 -4.58 117.98 121.68 1qkc s PHE 633 Ca -0.12 0.77 0.07 0.00 0.12 0.00 0.00 56.93 57.78 1qkc s PHE 633 Cb -0.15 -2.49 0.20 0.00 -0.57 0.00 0.00 43.02 40.01 1qkc s PHE 633 CO 0.06 0.17 1.16 1.19 -0.10 0.00 0.00 175.22 177.70 1qkc n PHE 634 N 3.73 0.29 0.00 0.36 3.01 -1.26 0.04 117.46 123.62 1qkc n PHE 634 Ca -0.09 -0.53 0.00 0.00 1.01 0.00 0.00 57.45 57.84 1qkc n PHE 634 Cb 0.52 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 1qkc n PHE 634 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1qkc n ASP 635 N 0.03 0.00 -3.53 4.37 8.00 -1.26 -4.92 116.55 119.24 1qkc n ASP 635 Ca 0.08 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.38 1qkc n ASP 635 Cb 0.38 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.50 1qkc n ASP 635 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qkc n GLY 636 N 2.00 -1.89 0.00 0.44 0.00 -1.26 -4.46 105.19 100.02 1qkc n GLY 636 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1qkc n GLY 636 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qkc n PRO 637 N 2.06 0.00 -1.44 1.61 -0.04 -1.26 -1.71 135.00 134.22 1qkc n PRO 637 Ca -0.01 0.14 -0.32 0.00 -0.04 0.00 0.00 63.50 63.27 1qkc n PRO 637 Cb 0.37 -1.52 0.07 0.00 -0.04 0.00 0.00 33.50 32.39 1qkc n PRO 637 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1qkc n LEU 638 N -1.10 7.16 -4.76 1.53 4.77 -1.26 -5.01 117.00 118.32 1qkc n LEU 638 Ca 0.00 -4.34 -0.40 0.00 -0.03 0.00 0.00 56.01 51.24 1qkc n LEU 638 Cb 0.02 -0.86 -0.04 0.00 -2.33 0.00 0.00 43.42 40.21 1qkc n LEU 638 CO 0.00 1.57 0.84 -0.55 -1.33 0.00 0.00 177.39 177.91 1qkc s SER 639 N -2.13 7.07 -0.72 -1.43 0.15 -0.69 -3.00 113.70 112.95 1qkc s SER 639 Ca 0.62 2.36 0.00 0.00 0.70 0.00 0.00 55.95 59.64 1qkc s SER 639 Cb 0.49 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1qkc s SER 639 CO 0.00 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1qkc n GLY 640 N 1.02 0.48 3.15 9.45 0.00 0.11 -4.81 105.19 114.57 1qkc n GLY 640 Ca -0.00 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 1qkc n GLY 640 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qkc s LEU 641 N -1.96 2.24 -0.12 0.99 2.96 -1.16 0.58 118.68 122.21 1qkc s LEU 641 Ca 0.00 -0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 53.27 1qkc s LEU 641 Cb 0.00 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 1qkc s LEU 641 CO 0.00 -0.00 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.09 1qkc s THR 642 N 1.32 3.84 -0.21 3.68 2.01 -0.21 0.15 115.64 126.21 1qkc s THR 642 Ca 0.05 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.66 1qkc s THR 642 Cb -0.13 -2.64 0.05 0.00 0.01 0.00 0.00 72.50 69.79 1qkc s THR 642 CO -0.12 0.54 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.53 1qkc s LEU 643 N -0.08 2.30 0.17 4.42 1.43 0.34 -1.17 118.68 126.09 1qkc s LEU 643 Ca 0.02 -1.01 0.06 0.00 -1.03 0.00 0.00 54.13 52.17 1qkc s LEU 643 Cb -0.13 -1.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 1qkc s LEU 643 CO 0.03 -0.21 -0.11 -0.83 0.23 0.00 0.00 176.35 175.46 1qkc s GLY 644 N 1.45 1.24 0.08 -3.19 0.00 0.74 -1.71 107.32 105.93 1qkc s GLY 644 Ca -0.03 -1.57 -0.26 0.00 0.00 0.00 0.00 44.72 42.85 1qkc s GLY 644 CO -0.07 -1.66 0.76 -1.08 0.00 0.00 0.00 173.10 171.04 1qkc s THR 645 N -3.18 0.00 0.11 0.90 -1.32 -0.79 0.16 115.64 111.52 1qkc s THR 645 Ca 0.20 -0.06 -0.09 0.00 -1.21 0.00 0.00 61.69 60.53 1qkc s THR 645 Cb 0.01 -1.07 0.03 0.00 -1.51 0.00 0.00 72.50 69.97 1qkc s THR 645 CO 0.03 0.00 0.43 0.61 -2.21 0.00 0.00 174.62 173.49 1qkc n GLY 646 N -0.32 1.16 3.45 6.08 0.00 0.33 -1.85 105.19 114.03 1qkc n GLY 646 Ca -0.12 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 1qkc n GLY 646 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qkc s GLY 647 N -2.37 -0.43 -0.06 -0.02 0.00 0.59 -0.16 107.32 104.87 1qkc s GLY 647 Ca 0.09 1.28 0.06 0.00 0.00 0.00 0.00 44.72 46.15 1qkc s GLY 647 CO 0.03 1.02 -0.24 0.50 0.00 0.00 0.00 173.10 174.41 1qkc s ARG 648 N -0.50 2.46 -0.07 2.90 3.00 -0.64 -1.57 118.95 124.53 1qkc s ARG 648 Ca -0.06 -0.87 0.04 0.00 0.00 0.00 0.00 55.73 54.84 1qkc s ARG 648 Cb -0.03 -2.09 0.00 0.00 0.00 0.00 0.00 34.95 32.84 1qkc s ARG 648 CO 0.04 0.36 -0.20 -0.47 0.00 0.00 0.00 175.30 175.03 1qkc s TYR 649 N -0.12 2.11 -0.12 -0.53 5.04 0.75 -1.84 117.35 122.64 1qkc s TYR 649 Ca -0.04 -0.77 0.01 0.00 -2.44 0.00 0.00 57.07 53.83 1qkc s TYR 649 Cb -0.14 -1.43 0.02 0.00 0.35 0.00 0.00 41.96 40.76 1qkc s TYR 649 CO 0.04 -0.31 -0.14 0.99 -1.34 0.00 0.00 175.55 174.78 1qkc s THR 650 N 0.30 1.47 1.19 4.34 2.01 -0.77 -1.48 115.64 122.69 1qkc s THR 650 Ca -0.13 -0.61 -0.20 0.00 0.31 0.00 0.00 61.69 61.06 1qkc s THR 650 Cb -0.16 -1.36 0.29 0.00 0.01 0.00 0.00 72.50 71.28 1qkc s THR 650 CO 0.06 0.44 1.17 -0.83 -0.69 0.00 0.00 174.62 174.76 1qkc s GLY 651 N 1.12 1.64 0.69 4.40 0.00 0.76 -0.86 107.32 115.07 1qkc s GLY 651 Ca -0.04 -1.13 -0.16 0.00 0.00 0.00 0.00 44.72 43.39 1qkc s GLY 651 CO -0.04 -0.22 1.19 -1.35 0.00 0.00 0.00 173.10 172.68 1qkc s SER 652 N -4.22 4.58 0.01 1.64 1.04 -1.26 -4.10 113.70 111.38 1qkc s SER 652 Ca 0.73 2.28 -0.10 0.00 0.48 0.00 0.00 55.95 59.35 1qkc s SER 652 Cb -0.06 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.48 1qkc s SER 652 CO 0.55 -2.00 0.20 -0.94 0.98 0.00 0.00 173.24 172.03 1qkc s SER 653 N -2.07 -0.02 0.19 7.02 1.04 -0.24 -3.82 113.70 115.79 1qkc s SER 653 Ca 0.73 -0.20 -0.30 0.00 0.48 0.00 0.00 55.95 56.67 1qkc s SER 653 Cb -0.27 0.26 -0.08 0.00 0.10 0.00 0.00 66.02 66.03 1qkc s SER 653 CO 0.42 -0.46 1.07 -0.31 0.98 0.00 0.00 173.24 174.94 1qkc s TYR 654 N -1.80 3.65 -0.41 5.02 1.51 -1.26 0.17 117.35 124.23 1qkc s TYR 654 Ca -0.11 1.67 0.04 0.00 -1.01 0.00 0.00 57.07 57.66 1qkc s TYR 654 Cb -0.05 -3.22 0.63 0.00 -0.11 0.00 0.00 41.96 39.21 1qkc s TYR 654 CO 0.00 -0.41 1.83 0.41 -1.11 0.00 0.00 175.55 176.27 1qkc n GLY 655 N 1.89 4.20 0.00 0.71 0.00 -1.12 -2.00 105.19 108.88 1qkc n GLY 655 Ca 0.02 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1qkc n GLY 655 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qkc n ASP 656 N -0.90 0.00 -0.31 1.61 5.75 -1.26 -2.16 116.55 119.27 1qkc n ASP 656 Ca 0.53 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 55.40 1qkc n ASP 656 Cb 1.55 0.00 0.25 0.00 -1.03 0.00 0.00 41.12 41.90 1qkc n ASP 656 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1qkc h PRO 657 N 0.00 0.64 0.00 0.11 0.11 -1.88 0.12 132.00 131.10 1qkc h PRO 657 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1qkc h PRO 657 Cb 0.00 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 30.96 1qkc h PRO 657 CO 0.00 0.43 0.00 0.00 -0.21 0.00 0.00 178.00 178.22 1qkc n ALA 658 N -2.40 1.81 -2.75 -0.75 0.00 -1.26 -4.82 120.51 110.33 1qkc n ALA 658 Ca 0.19 -0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.41 1qkc n ALA 658 Cb 0.48 -1.30 0.02 0.00 0.00 0.00 0.00 19.45 18.65 1qkc n ALA 658 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qkc n ASN 659 N -1.58 -5.10 -0.09 0.00 5.03 0.40 -4.90 115.26 109.02 1qkc n ASN 659 Ca 0.04 -0.19 -0.06 0.00 0.87 0.00 0.00 54.58 55.24 1qkc n ASN 659 Cb 0.21 -3.99 0.01 0.00 -1.02 0.00 0.00 39.78 34.99 1qkc n ASN 659 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 1qkc h SER 660 N -0.90 -0.07 -3.45 6.41 0.87 -1.90 -3.45 113.55 111.06 1qkc h SER 660 Ca -0.41 0.07 -0.24 0.00 -1.23 0.00 0.00 61.79 59.98 1qkc h SER 660 Cb 1.29 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 63.30 1qkc h SER 660 CO 0.45 0.00 -0.22 2.22 -0.53 0.00 0.00 176.83 178.75 1qkc n PHE 661 N -5.14 -0.20 -4.18 2.24 -1.74 -1.26 -5.08 117.46 102.10 1qkc n PHE 661 Ca 0.01 -1.29 -0.16 0.00 -0.56 0.00 0.00 57.45 55.45 1qkc n PHE 661 Cb 0.16 0.08 -0.13 0.00 1.52 0.00 0.00 39.48 41.11 1qkc n PHE 661 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1qkc s LYS 662 N -2.68 0.57 -0.17 3.97 1.02 -1.26 -2.77 119.74 118.43 1qkc s LYS 662 Ca 0.15 -0.49 -0.15 0.00 0.02 0.00 0.00 55.97 55.50 1qkc s LYS 662 Cb 0.01 -0.48 -0.04 0.00 -0.52 0.00 0.00 37.83 36.79 1qkc s LYS 662 CO 0.11 0.12 0.36 0.08 -0.92 0.00 0.00 175.35 175.10 1qkc s VAL 663 N -0.68 5.25 0.12 3.17 1.01 0.46 -4.82 120.40 124.91 1qkc s VAL 663 Ca -0.02 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 1qkc s VAL 663 Cb -0.06 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 1qkc s VAL 663 CO 0.00 0.33 1.24 -0.83 0.00 0.00 0.00 175.10 175.85 1qkc s GLY 664 N 0.69 2.42 0.83 4.51 0.00 -1.26 -1.08 107.32 113.42 1qkc s GLY 664 Ca 0.19 0.95 -0.15 0.00 0.00 0.00 0.00 44.72 45.71 1qkc s GLY 664 CO 0.06 2.03 0.44 -1.14 0.00 0.00 0.00 173.10 174.49 1qkc n SER 665 N 3.37 -1.72 -3.84 1.64 3.41 -1.26 -4.72 113.62 110.50 1qkc n SER 665 Ca 0.08 0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 59.06 1qkc n SER 665 Cb 0.45 -1.20 -0.05 0.00 -0.26 0.00 0.00 64.21 63.15 1qkc n SER 665 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1qkc s TYR 666 N -2.12 0.07 -0.10 7.33 -0.85 -0.04 -4.92 117.35 116.72 1qkc s TYR 666 Ca 0.61 -0.43 -0.04 0.00 -0.52 0.00 0.00 57.07 56.70 1qkc s TYR 666 Cb -0.29 0.29 0.05 0.00 0.38 0.00 0.00 41.96 42.40 1qkc s TYR 666 CO 0.63 -0.92 0.17 0.99 -1.52 0.00 0.00 175.55 174.90 1qkc s THR 667 N -3.92 -0.28 -0.07 -3.49 2.01 -1.26 -1.85 115.64 106.78 1qkc s THR 667 Ca 0.13 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.43 1qkc s THR 667 Cb -0.01 -0.36 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 1qkc s THR 667 CO 0.01 0.09 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.25 1qkc s VAL 668 N 2.30 3.48 -0.07 3.82 1.01 -0.77 -4.96 120.40 125.22 1qkc s VAL 668 Ca 0.03 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1qkc s VAL 668 Cb -0.13 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1qkc s VAL 668 CO -0.07 0.59 0.13 -0.69 0.00 0.00 0.00 175.10 175.07 1qkc s VAL 669 N -0.72 5.30 0.03 2.92 1.01 -1.26 -1.61 120.40 126.07 1qkc s VAL 669 Ca 0.11 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.15 1qkc s VAL 669 Cb -0.11 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1qkc s VAL 669 CO 0.01 0.50 -0.19 -1.81 0.00 0.00 0.00 175.10 173.61 1qkc s ASP 670 N -1.36 2.29 0.10 3.32 1.01 0.77 -0.67 116.67 122.12 1qkc s ASP 670 Ca 0.19 -0.48 -0.17 0.00 0.71 0.00 0.00 52.55 52.80 1qkc s ASP 670 Cb -0.12 -0.20 0.04 0.00 1.01 0.00 0.00 42.92 43.65 1qkc s ASP 670 CO 0.09 0.15 0.42 0.00 0.21 0.00 0.00 175.17 176.04 1qkc s ALA 671 N -0.75 -1.00 0.19 5.23 0.00 -0.93 0.12 121.76 124.63 1qkc s ALA 671 Ca 0.06 0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.96 1qkc s ALA 671 Cb -0.08 0.59 0.02 0.00 0.00 0.00 0.00 23.12 23.65 1qkc s ALA 671 CO 0.01 -0.59 0.50 -0.48 0.00 0.00 0.00 175.76 175.20 1qkc s LEU 672 N -2.54 0.17 -0.12 0.00 2.34 0.43 -1.83 118.68 117.13 1qkc s LEU 672 Ca 0.00 -0.54 -0.05 0.00 0.06 0.00 0.00 54.13 53.61 1qkc s LEU 672 Cb 0.01 2.04 0.06 0.00 -0.56 0.00 0.00 46.19 47.74 1qkc s LEU 672 CO -0.09 -1.04 0.25 0.68 -1.06 0.00 0.00 176.35 175.09 1qkc s VAL 673 N -3.89 -0.27 0.11 1.48 -7.23 -0.64 -0.18 120.40 109.78 1qkc s VAL 673 Ca 0.10 0.24 0.10 0.00 -1.81 0.00 0.00 61.98 60.61 1qkc s VAL 673 Cb -0.01 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 1qkc s VAL 673 CO -0.02 0.10 -0.25 -0.13 -0.31 0.00 0.00 175.10 174.49 1qkc s ARG 674 N 2.00 1.37 -0.22 4.82 0.52 -0.31 -0.73 118.95 126.40 1qkc s ARG 674 Ca -0.02 -1.27 -0.02 0.00 -0.52 0.00 0.00 55.73 53.90 1qkc s ARG 674 Cb -0.11 -1.77 0.07 0.00 0.52 0.00 0.00 34.95 33.65 1qkc s ARG 674 CO -0.08 0.42 0.04 -0.47 0.02 0.00 0.00 175.30 175.23 1qkc s TYR 675 N -1.05 1.26 -0.42 -0.53 5.04 -0.50 -1.05 117.35 120.11 1qkc s TYR 675 Ca 0.12 -1.09 -0.32 0.00 -2.44 0.00 0.00 57.07 53.33 1qkc s TYR 675 Cb -0.10 -1.19 -0.11 0.00 0.35 0.00 0.00 41.96 40.91 1qkc s TYR 675 CO 0.05 -0.68 2.29 -3.47 -1.34 0.00 0.00 175.55 172.40 1qkc n ASP 676 N 4.98 2.13 0.00 4.32 2.03 0.20 -3.08 116.55 127.13 1qkc n ASP 676 Ca -0.08 0.20 0.02 0.00 0.52 0.00 0.00 54.79 55.45 1qkc n ASP 676 Cb 0.46 -1.33 0.15 0.00 -0.72 0.00 0.00 41.12 39.68 1qkc n ASP 676 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1qkc n LEU 677 N 11.25 0.00 -0.33 -2.67 4.32 -1.02 -3.58 117.00 124.98 1qkc n LEU 677 Ca 0.41 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 56.50 1qkc n LEU 677 Cb 0.30 0.00 0.27 0.00 -1.62 0.00 0.00 43.42 42.37 1qkc n LEU 677 CO 0.76 0.00 1.15 0.00 -1.22 0.00 0.00 177.39 178.07 1qkc h ALA 678 N 2.13 1.47 0.00 -1.18 0.00 -1.36 -1.54 119.26 118.78 1qkc h ALA 678 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qkc h ALA 678 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1qkc h ALA 678 CO 0.00 -0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.73 1qkc n ARG 679 N -4.81 0.03 -1.87 0.00 1.74 -1.23 -0.13 116.66 110.38 1qkc n ARG 679 Ca 0.20 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.26 1qkc n ARG 679 Cb 0.50 -1.06 0.02 0.00 -1.02 0.00 0.00 32.46 30.90 1qkc n ARG 679 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1qkc n VAL 680 N 0.54 0.24 -2.76 1.55 0.31 -0.59 -4.96 118.33 112.65 1qkc n VAL 680 Ca 0.00 -1.03 -0.13 0.00 -0.01 0.00 0.00 64.34 63.16 1qkc n VAL 680 Cb 0.01 0.90 0.02 0.00 -0.91 0.00 0.00 33.84 33.86 1qkc n VAL 680 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qkc n GLY 681 N -0.36 -0.01 2.44 2.92 0.00 0.82 -4.98 105.19 106.02 1qkc n GLY 681 Ca -0.11 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 1qkc n GLY 681 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qkc n MET 682 N -2.73 0.50 -1.17 1.61 2.81 -1.06 -5.01 117.12 112.06 1qkc n MET 682 Ca -0.06 -2.79 -0.30 0.00 -1.81 0.00 0.00 57.70 52.74 1qkc n MET 682 Cb 0.57 -1.46 0.12 0.00 -0.71 0.00 0.00 33.22 31.73 1qkc n MET 682 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qkc s ALA 683 N -0.10 1.85 0.00 3.04 0.00 -1.26 -1.21 121.76 124.08 1qkc s ALA 683 Ca 0.33 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1qkc s ALA 683 Cb 0.10 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1qkc s ALA 683 CO -0.15 -2.13 0.00 0.41 0.00 0.00 0.00 175.76 173.89 1qkc n GLY 684 N -1.01 1.64 4.02 0.00 0.00 -1.26 -4.71 105.19 103.87 1qkc n GLY 684 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 1qkc n GLY 684 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qkc s SER 685 N -2.88 5.40 0.00 1.61 0.01 -1.17 -4.44 113.70 112.23 1qkc s SER 685 Ca 0.00 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1qkc s SER 685 Cb 0.00 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1qkc s SER 685 CO 0.00 -1.03 0.00 -0.46 0.41 0.00 0.00 173.24 172.16 1qkc n ASN 686 N -2.03 0.00 -4.15 2.44 6.94 -1.00 -2.43 115.26 115.03 1qkc n ASN 686 Ca 0.12 0.00 -0.24 0.00 -0.02 0.00 0.00 54.58 54.44 1qkc n ASN 686 Cb 0.60 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.87 1qkc n ASN 686 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1qkc s VAL 687 N -2.00 1.29 0.02 3.53 1.01 -1.18 -2.03 120.40 121.05 1qkc s VAL 687 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1qkc s VAL 687 Cb 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1qkc s VAL 687 CO 0.00 0.32 0.05 0.00 0.00 0.00 0.00 175.10 175.48 1qkc s ALA 688 N -0.45 -0.02 -0.11 5.51 0.00 0.17 -1.41 121.76 125.46 1qkc s ALA 688 Ca 0.06 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.52 1qkc s ALA 688 Cb -0.07 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1qkc s ALA 688 CO -0.00 -0.24 -0.18 -1.17 0.00 0.00 0.00 175.76 174.16 1qkc s LEU 689 N -1.79 1.88 -0.04 0.00 2.96 0.09 -0.48 118.68 121.30 1qkc s LEU 689 Ca -0.10 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.39 1qkc s LEU 689 Cb -0.05 -1.21 -0.01 0.00 0.50 0.00 0.00 46.19 45.41 1qkc s LEU 689 CO -0.02 0.06 -0.25 -1.00 -1.32 0.00 0.00 176.35 173.81 1qkc s HIS 690 N 0.81 2.35 -0.04 5.38 3.76 -0.21 -1.62 115.29 125.72 1qkc s HIS 690 Ca -0.09 -0.58 0.01 0.00 -0.15 0.00 0.00 55.06 54.25 1qkc s HIS 690 Cb -0.16 -1.53 0.02 0.00 1.11 0.00 0.00 32.58 32.02 1qkc s HIS 690 CO 0.00 -0.13 -0.05 0.08 -0.85 0.00 0.00 174.74 173.80 1qkc s VAL 691 N -0.37 0.54 -0.04 -0.90 1.01 -0.76 -0.37 120.40 119.51 1qkc s VAL 691 Ca 0.03 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1qkc s VAL 691 Cb -0.12 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 1qkc s VAL 691 CO 0.01 0.22 -0.22 0.20 0.00 0.00 0.00 175.10 175.31 1qkc s ASN 692 N 0.80 3.38 -1.07 3.32 -0.87 0.23 -2.18 114.94 118.55 1qkc s ASN 692 Ca -0.11 -0.38 -0.00 0.00 -1.57 0.00 0.00 52.86 50.80 1qkc s ASN 692 Cb -0.14 -0.58 0.00 0.00 -0.02 0.00 0.00 41.25 40.52 1qkc s ASN 692 CO 0.00 0.32 0.89 -3.20 -2.57 0.00 0.00 177.10 172.54 1qkc n ASN 693 N 2.47 -2.04 -0.31 -1.22 2.85 0.15 -0.99 115.26 116.16 1qkc n ASN 693 Ca -0.17 -0.55 0.01 0.00 -0.11 0.00 0.00 54.58 53.76 1qkc n ASN 693 Cb 0.51 -4.63 0.05 0.00 1.24 0.00 0.00 39.78 36.96 1qkc n ASN 693 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1qkc n LEU 694 N -3.79 -0.48 -2.07 1.20 7.94 -0.53 0.47 117.00 119.74 1qkc n LEU 694 Ca -0.26 1.43 -0.15 0.00 -1.11 0.00 0.00 56.01 55.93 1qkc n LEU 694 Cb 0.65 -0.35 -0.13 0.00 0.53 0.00 0.00 43.42 44.12 1qkc n LEU 694 CO 0.54 -1.31 1.57 0.49 -1.11 0.00 0.00 177.39 177.58 1qkc n PHE 695 N -5.24 0.37 -0.90 1.96 3.72 -1.26 -4.83 117.46 111.27 1qkc n PHE 695 Ca 0.10 -1.57 0.00 0.00 -0.05 0.00 0.00 57.45 55.92 1qkc n PHE 695 Cb 0.35 -1.48 0.00 0.00 -0.94 0.00 0.00 39.48 37.41 1qkc n PHE 695 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1qkc n ASP 696 N 2.05 0.00 -4.74 4.37 -0.08 0.17 -4.73 116.55 113.60 1qkc n ASP 696 Ca 0.41 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.39 1qkc n ASP 696 Cb 0.81 0.00 0.12 0.00 2.34 0.00 0.00 41.12 44.39 1qkc n ASP 696 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1qkc s ARG 697 N -1.15 1.57 -0.30 -0.67 3.52 -1.26 -4.77 118.95 115.89 1qkc s ARG 697 Ca 0.00 0.88 0.03 0.00 -0.13 0.00 0.00 55.73 56.51 1qkc s ARG 697 Cb 0.00 -1.84 0.08 0.00 -1.56 0.00 0.00 34.95 31.63 1qkc s ARG 697 CO 0.00 -2.04 -0.00 -1.21 -0.81 0.00 0.00 175.30 171.23 1qkc s GLU 698 N -4.95 1.65 0.27 5.12 2.02 -1.26 -4.54 118.70 117.02 1qkc s GLU 698 Ca 0.63 -1.56 0.02 0.00 0.02 0.00 0.00 54.97 54.08 1qkc s GLU 698 Cb -0.17 -2.95 -0.05 0.00 0.10 0.00 0.00 34.13 31.05 1qkc s GLU 698 CO 0.56 -0.80 0.08 1.52 0.02 0.00 0.00 175.26 176.64 1qkc s TYR 699 N 1.07 1.66 -0.32 1.61 1.13 -1.26 -5.02 117.35 116.22 1qkc s TYR 699 Ca 0.03 -1.09 -0.03 0.00 -1.41 0.00 0.00 57.07 54.57 1qkc s TYR 699 Cb -0.19 -1.01 0.05 0.00 -1.10 0.00 0.00 41.96 39.71 1qkc s TYR 699 CO -0.08 -0.21 0.05 0.08 -2.51 0.00 0.00 175.55 172.88 1qkc s VAL 700 N -3.59 3.23 0.23 -3.49 1.01 -1.26 0.15 120.40 116.68 1qkc s VAL 700 Ca 0.36 -1.38 -0.13 0.00 0.00 0.00 0.00 61.98 60.83 1qkc s VAL 700 Cb 0.08 -2.89 0.28 0.00 0.00 0.00 0.00 36.38 33.85 1qkc s VAL 700 CO 0.14 -0.18 1.60 0.00 0.00 0.00 0.00 175.10 176.65 1qkc h ALA 701 N 8.06 0.40 0.00 5.51 0.00 -1.24 -3.44 119.26 128.55 1qkc h ALA 701 Ca -0.21 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qkc h ALA 701 Cb 1.07 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1qkc h ALA 701 CO 0.57 -0.46 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 1qkc n SER 702 N -5.49 0.00 -4.04 0.00 3.41 -1.25 -4.88 113.62 101.37 1qkc n SER 702 Ca 0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.58 1qkc n SER 702 Cb 0.38 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.22 1qkc n SER 702 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qkc n PHE 704 N 1.58 0.00 -3.70 0.00 1.16 0.17 -3.72 117.46 112.95 1qkc n PHE 704 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.36 1qkc n PHE 704 Cb 0.55 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.42 1qkc n PHE 704 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 1qkc s ASN 705 N -1.47 -0.07 0.63 5.98 3.84 -0.92 -4.46 114.94 118.47 1qkc s ASN 705 Ca 0.09 -0.23 0.37 0.00 0.21 0.00 0.00 52.86 53.30 1qkc s ASN 705 Cb 0.09 0.25 2.10 0.00 -0.55 0.00 0.00 41.25 43.14 1qkc s ASN 705 CO 0.28 -0.47 2.29 0.71 -2.79 0.00 0.00 177.10 177.12 1qkc h THR 706 N 2.00 0.25 -0.28 -5.21 1.35 -1.96 -0.87 112.91 108.18 1qkc h THR 706 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1qkc h THR 706 Cb 1.21 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1qkc h THR 706 CO 0.28 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.55 1qkc n TYR 707 N -3.43 0.37 -3.58 4.73 4.11 -1.26 -0.77 117.16 117.33 1qkc n TYR 707 Ca -0.03 -0.36 -0.28 0.00 -0.00 0.00 0.00 57.90 57.23 1qkc n TYR 707 Cb 0.11 -0.02 -0.11 0.00 -0.00 0.00 0.00 39.34 39.32 1qkc n TYR 707 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1qkc s GLY 708 N -1.01 1.57 0.19 -7.48 0.00 -0.33 -3.57 107.32 96.69 1qkc s GLY 708 Ca 0.23 -2.64 0.11 0.00 0.00 0.00 0.00 44.72 42.42 1qkc s GLY 708 CO 0.17 1.78 -0.22 0.00 0.00 0.00 0.00 173.10 174.84 1qkc s PHE 710 N -1.88 0.84 0.25 0.00 0.08 0.39 -2.97 117.98 114.70 1qkc s PHE 710 Ca 0.20 -0.27 -0.30 0.00 0.12 0.00 0.00 56.93 56.68 1qkc s PHE 710 Cb -0.07 -0.78 -0.10 0.00 -0.57 0.00 0.00 43.02 41.50 1qkc s PHE 710 CO 0.09 -0.26 1.41 -1.58 -0.10 0.00 0.00 175.22 174.78 1qkc s TRP 711 N 1.23 3.05 1.26 0.36 0.23 -1.26 -0.82 118.94 122.99 1qkc s TRP 711 Ca -0.06 1.10 -0.18 0.00 -2.03 0.00 0.00 56.10 54.94 1qkc s TRP 711 Cb -0.14 -3.77 0.31 0.00 0.03 0.00 0.00 33.47 29.90 1qkc s TRP 711 CO -0.02 -2.46 1.01 0.20 0.96 0.00 0.00 176.95 176.65 1qkc s GLY 712 N 0.25 1.50 -0.16 0.98 0.00 0.12 -2.35 107.32 107.66 1qkc s GLY 712 Ca 0.58 -0.60 -0.29 0.00 0.00 0.00 0.00 44.72 44.40 1qkc s GLY 712 CO 0.44 0.26 1.07 0.00 0.00 0.00 0.00 173.10 174.87 1qkc s ALA 713 N -2.56 3.56 -0.01 3.20 0.00 -1.26 -4.45 121.76 120.25 1qkc s ALA 713 Ca 0.69 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 1qkc s ALA 713 Cb -0.17 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1qkc s ALA 713 CO 0.60 -0.87 1.16 -1.83 0.00 0.00 0.00 175.76 174.81 1qkc s GLU 714 N 2.69 4.41 0.00 0.00 -1.05 -1.26 -4.86 118.70 118.64 1qkc s GLU 714 Ca 0.48 1.66 0.00 0.00 -0.15 0.00 0.00 54.97 56.96 1qkc s GLU 714 Cb -0.18 -3.47 0.00 0.00 -0.44 0.00 0.00 34.13 30.04 1qkc s GLU 714 CO 0.13 -0.32 0.00 -2.13 0.95 0.00 0.00 175.26 173.89 1qkc n ARG 715 N 4.58 0.00 -4.50 -4.83 0.63 -1.25 -4.95 116.66 106.34 1qkc n ARG 715 Ca 0.09 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.78 1qkc n ARG 715 Cb 0.47 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.25 1qkc n ARG 715 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1qkc s GLN 716 N 0.00 1.26 -0.06 -0.14 -0.21 -0.17 -4.96 119.66 115.38 1qkc s GLN 716 Ca 0.00 -1.00 0.01 0.00 0.02 0.00 0.00 55.36 54.39 1qkc s GLN 716 Cb 0.00 -1.41 0.02 0.00 1.00 0.00 0.00 33.01 32.62 1qkc s GLN 716 CO 0.00 0.35 -0.07 0.14 -2.12 0.00 0.00 175.29 173.59 1qkc s VAL 717 N -0.93 0.77 -0.02 1.09 -7.23 -1.26 0.77 120.40 113.59 1qkc s VAL 717 Ca 0.07 -0.23 0.06 0.00 -1.81 0.00 0.00 61.98 60.07 1qkc s VAL 717 Cb -0.09 -0.77 -0.01 0.00 0.56 0.00 0.00 36.38 36.06 1qkc s VAL 717 CO 0.03 0.29 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.21 1qkc s VAL 718 N 1.08 1.63 -0.34 1.32 1.01 0.50 -1.10 120.40 124.50 1qkc s VAL 718 Ca -0.08 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1qkc s VAL 718 Cb -0.14 -1.36 0.05 0.00 0.00 0.00 0.00 36.38 34.92 1qkc s VAL 718 CO -0.01 0.46 0.09 0.00 0.00 0.00 0.00 175.10 175.64 1qkc s ALA 719 N -0.36 2.99 -0.07 5.51 0.00 0.40 -1.05 121.76 129.19 1qkc s ALA 719 Ca 0.05 -1.82 0.02 0.00 0.00 0.00 0.00 51.96 50.21 1qkc s ALA 719 Cb -0.09 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.81 1qkc s ALA 719 CO 0.00 -1.36 -0.12 0.95 0.00 0.00 0.00 175.76 175.23 1qkc s THR 720 N 1.34 3.22 -0.10 0.00 -4.23 0.37 -1.99 115.64 114.25 1qkc s THR 720 Ca -0.02 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.84 1qkc s THR 720 Cb -0.20 -2.29 0.02 0.00 1.34 0.00 0.00 72.50 71.37 1qkc s THR 720 CO 0.01 0.58 -0.11 0.00 -0.54 0.00 0.00 174.62 174.57 1qkc s ALA 721 N -0.56 1.41 -0.10 3.99 0.00 -0.01 0.42 121.76 126.90 1qkc s ALA 721 Ca 0.08 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1qkc s ALA 721 Cb -0.12 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1qkc s ALA 721 CO 0.01 -0.22 -0.12 -0.08 0.00 0.00 0.00 175.76 175.35 1qkc s THR 722 N 1.30 1.25 0.04 0.00 -1.32 -0.86 0.15 115.64 116.20 1qkc s THR 722 Ca -0.02 -0.49 0.02 0.00 -1.21 0.00 0.00 61.69 59.99 1qkc s THR 722 Cb -0.14 -1.18 -0.04 0.00 -1.51 0.00 0.00 72.50 69.64 1qkc s THR 722 CO -0.04 0.39 0.06 -0.36 -2.21 0.00 0.00 174.62 172.46 1qkc s PHE 723 N 1.11 3.18 -0.22 9.09 0.08 0.20 -2.37 117.98 129.05 1qkc s PHE 723 Ca -0.05 0.11 0.01 0.00 0.12 0.00 0.00 56.93 57.11 1qkc s PHE 723 Cb -0.14 -1.66 0.05 0.00 -0.57 0.00 0.00 43.02 40.70 1qkc s PHE 723 CO -0.02 0.51 -0.07 1.03 -0.10 0.00 0.00 175.22 176.57 1qkc s ARG 724 N -2.01 1.77 0.00 0.44 1.81 -1.25 -1.83 118.95 117.89 1qkc s ARG 724 Ca 0.25 -0.96 0.25 0.00 -1.72 0.00 0.00 55.73 53.55 1qkc s ARG 724 Cb -0.12 -2.54 0.39 0.00 -0.45 0.00 0.00 34.95 32.23 1qkc s ARG 724 CO 0.17 -0.54 1.37 1.19 -0.68 0.00 0.00 175.30 176.81