#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kvr s VAL 18 N 0.00 3.33 0.12 4.08 1.01 -0.87 -4.96 120.40 123.10 3kvr s VAL 18 Ca 0.00 1.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.95 3kvr s VAL 18 Cb 0.00 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.79 3kvr s VAL 18 CO 0.00 0.09 0.33 0.00 0.00 0.00 0.00 175.10 175.52 3kvr s GLN 19 N -2.29 1.01 0.06 2.72 -2.07 -1.26 -4.82 119.66 113.01 3kvr s GLN 19 Ca 0.56 -0.81 0.08 0.00 -1.82 0.00 0.00 55.36 53.37 3kvr s GLN 19 Cb -0.28 0.43 -0.03 0.00 -1.09 0.00 0.00 33.01 32.03 3kvr s GLN 19 CO 0.36 -0.37 -0.19 -0.51 -1.32 0.00 0.00 175.29 173.25 3kvr s LEU 20 N -2.83 2.59 -1.10 2.60 1.43 -1.26 -4.79 118.68 115.32 3kvr s LEU 20 Ca 0.04 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 3kvr s LEU 20 Cb 0.03 -1.50 0.26 0.00 0.03 0.00 0.00 46.19 45.01 3kvr s LEU 20 CO -0.11 0.23 2.02 0.00 0.23 0.00 0.00 176.35 178.72 3kvr s ASN 22 N -0.80 2.65 0.06 0.00 2.47 -1.26 -5.03 114.94 113.04 3kvr s ASN 22 Ca 0.44 -1.00 0.14 0.00 0.42 0.00 0.00 52.86 52.86 3kvr s ASN 22 Cb 0.20 0.03 0.60 0.00 -1.45 0.00 0.00 41.25 40.63 3kvr s ASN 22 CO -0.13 -0.41 1.43 -0.81 -3.72 0.00 0.00 177.10 173.46 3kvr n PRO 23 N 5.28 0.04 0.25 0.43 -0.04 -1.26 -2.84 135.00 136.86 3kvr n PRO 23 Ca -0.04 0.35 0.15 0.00 -0.04 0.00 0.00 63.50 63.92 3kvr n PRO 23 Cb 0.44 -1.59 0.49 0.00 -0.04 0.00 0.00 33.50 32.80 3kvr n PRO 23 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3kvr h HIS 24 N 0.00 0.00 -0.15 0.54 3.86 -1.99 -3.30 115.15 114.11 3kvr h HIS 24 Ca 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 3kvr h HIS 24 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3kvr h HIS 24 CO 0.00 0.00 -0.40 0.82 0.86 0.00 0.00 177.93 179.21 3kvr h ILE 25 N 0.00 1.35 -0.92 2.45 1.08 -1.95 -3.04 117.51 116.48 3kvr h ILE 25 Ca 0.00 -1.67 0.15 0.00 -0.39 0.00 0.00 64.86 62.95 3kvr h ILE 25 Cb 0.69 2.03 -0.08 0.00 -3.07 0.00 0.00 36.82 36.39 3kvr h ILE 25 CO 0.00 0.51 0.59 0.00 -0.69 0.00 0.00 178.15 178.56 3kvr h ALA 26 N 0.54 1.81 0.00 1.87 0.00 -1.78 -1.07 119.26 120.63 3kvr h ALA 26 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kvr h ALA 26 Cb 1.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kvr h ALA 26 CO 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.26 3kvr n ALA 27 N -2.42 1.71 -2.41 0.00 0.00 -1.15 -4.90 120.51 111.35 3kvr n ALA 27 Ca 0.19 -0.05 -0.39 0.00 0.00 0.00 0.00 53.44 53.18 3kvr n ALA 27 Cb 0.49 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 3kvr n ALA 27 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kvr s MET 28 N -2.96 4.38 0.14 0.00 1.00 -0.41 -4.95 119.30 116.50 3kvr s MET 28 Ca 0.08 0.87 -0.11 0.00 0.00 0.00 0.00 55.69 56.53 3kvr s MET 28 Cb 0.10 -3.33 -0.04 0.00 0.00 0.00 0.00 34.83 31.55 3kvr s MET 28 CO 0.27 0.38 1.47 1.57 0.00 0.00 0.00 175.02 178.71 3kvr h LYS 29 N 5.47 0.93 -4.92 2.03 5.09 -1.90 -3.44 116.57 119.83 3kvr h LYS 29 Ca -0.45 -0.50 -0.29 0.00 0.09 0.00 0.00 60.65 59.50 3kvr h LYS 29 Cb 1.20 0.02 -0.15 0.00 0.10 0.00 0.00 32.23 33.41 3kvr h LYS 29 CO 0.69 1.15 -0.71 -1.83 -2.09 0.00 0.00 179.45 176.67 3kvr s GLU 30 N -4.36 0.96 -0.15 0.07 -1.05 -1.26 -4.93 118.70 107.98 3kvr s GLU 30 Ca -0.11 -1.38 -0.00 0.00 -0.15 0.00 0.00 54.97 53.32 3kvr s GLU 30 Cb 0.11 -0.47 0.03 0.00 -0.44 0.00 0.00 34.13 33.36 3kvr s GLU 30 CO 0.88 0.04 -0.07 0.34 0.95 0.00 0.00 175.26 177.41 3kvr s ASP 31 N -3.06 2.66 -0.25 0.83 2.15 -1.26 -5.01 116.67 112.73 3kvr s ASP 31 Ca 0.14 -0.56 -0.10 0.00 0.43 0.00 0.00 52.55 52.47 3kvr s ASP 31 Cb 0.03 -0.93 -0.04 0.00 -0.30 0.00 0.00 42.92 41.67 3kvr s ASP 31 CO -0.01 -0.15 0.14 -0.63 -0.17 0.00 0.00 175.17 174.34 3kvr s ILE 32 N 1.63 5.00 -1.01 4.11 1.01 -1.26 -1.10 121.20 129.58 3kvr s ILE 32 Ca 0.02 0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.61 3kvr s ILE 32 Cb -0.14 -3.35 0.23 0.00 0.01 0.00 0.00 42.46 39.21 3kvr s ILE 32 CO -0.08 0.31 1.03 -0.76 0.00 0.00 0.00 174.94 175.45 3kvr s LEU 33 N 1.44 6.21 0.19 2.97 1.43 0.27 -4.90 118.68 126.29 3kvr s LEU 33 Ca 0.06 -3.06 -0.12 0.00 -1.03 0.00 0.00 54.13 49.99 3kvr s LEU 33 Cb -0.15 -2.25 0.20 0.00 0.03 0.00 0.00 46.19 44.02 3kvr s LEU 33 CO 0.07 -0.52 1.74 0.22 0.23 0.00 0.00 176.35 178.09 3kvr h TYR 34 N 7.33 0.32 0.00 0.29 5.03 -1.95 0.37 116.97 128.36 3kvr h TYR 34 Ca 0.17 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.51 3kvr h TYR 34 Cb 0.95 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.16 3kvr h TYR 34 CO 0.94 0.09 -0.01 0.72 -1.32 0.00 0.00 178.16 178.58 3kvr n HIS 35 N -5.01 0.80 0.12 -3.82 -0.00 -1.26 -2.06 115.22 103.99 3kvr n HIS 35 Ca 0.06 0.23 0.09 0.00 -0.00 0.00 0.00 57.72 58.11 3kvr n HIS 35 Cb 0.22 -0.88 0.02 0.00 -0.00 0.00 0.00 29.99 29.35 3kvr n HIS 35 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 3kvr h PHE 36 N 0.00 0.00 -3.96 4.41 0.05 -1.73 -3.40 116.94 112.30 3kvr h PHE 36 Ca 0.00 0.00 -0.19 0.00 3.82 0.00 0.00 57.97 61.60 3kvr h PHE 36 Cb 0.71 0.00 0.09 0.00 2.00 0.00 0.00 35.95 38.75 3kvr h PHE 36 CO 0.00 0.12 -0.42 0.45 -0.18 0.00 0.00 178.31 178.29 3kvr n SER 37 N -2.83 -2.33 -3.93 2.17 2.88 0.12 -4.63 113.62 105.07 3kvr n SER 37 Ca -0.01 -0.34 -0.10 0.00 -1.33 0.00 0.00 58.87 57.10 3kvr n SER 37 Cb 0.60 -3.04 -0.12 0.00 -0.75 0.00 0.00 64.21 60.91 3kvr n SER 37 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3kvr s LEU 38 N -4.41 2.04 0.03 2.46 1.02 -0.95 -4.94 118.68 113.92 3kvr s LEU 38 Ca 0.04 -0.28 -0.08 0.00 0.02 0.00 0.00 54.13 53.84 3kvr s LEU 38 Cb -0.02 0.17 -0.00 0.00 0.02 0.00 0.00 46.19 46.36 3kvr s LEU 38 CO 0.40 -0.21 0.15 -0.55 0.02 0.00 0.00 176.35 176.16 3kvr s SER 39 N -0.96 0.07 0.33 2.29 0.15 -1.26 0.94 113.70 115.25 3kvr s SER 39 Ca -0.11 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 56.23 3kvr s SER 39 Cb -0.06 0.24 0.58 0.00 -1.71 0.00 0.00 66.02 65.07 3kvr s SER 39 CO -0.00 -0.48 1.87 0.71 1.20 0.00 0.00 173.24 176.54 3kvr h THR 40 N 3.80 1.20 -0.01 6.45 1.35 -1.33 -1.82 112.91 122.55 3kvr h THR 40 Ca -0.32 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 3kvr h THR 40 Cb 1.19 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3kvr h THR 40 CO 0.46 0.27 -0.21 -1.54 -0.25 0.00 0.00 175.52 174.25 3kvr n SER 41 N -4.29 0.75 -0.05 5.36 3.41 -1.26 -3.91 113.62 113.63 3kvr n SER 41 Ca 0.02 -0.69 0.01 0.00 -0.26 0.00 0.00 58.87 57.95 3kvr n SER 41 Cb 0.23 0.04 -0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3kvr n SER 41 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kvr n THR 42 N -0.85 0.00 -3.83 6.66 -2.24 -1.10 -5.02 114.28 107.90 3kvr n THR 42 Ca 0.12 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 3kvr n THR 42 Cb 0.32 1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 69.44 3kvr n THR 42 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kvr s HIS 43 N -0.67 -0.08 -0.51 4.78 4.02 -0.70 -4.89 115.29 117.24 3kvr s HIS 43 Ca 0.02 0.21 -0.17 0.00 1.02 0.00 0.00 55.06 56.14 3kvr s HIS 43 Cb 0.02 0.01 0.08 0.00 -1.02 0.00 0.00 32.58 31.67 3kvr s HIS 43 CO 0.05 -0.05 0.51 0.34 1.02 0.00 0.00 174.74 176.61 3kvr s ASP 44 N 0.17 6.18 0.00 1.40 3.68 -1.26 -4.46 116.67 122.38 3kvr s ASP 44 Ca -0.01 -1.31 -0.23 0.00 2.13 0.00 0.00 52.55 53.14 3kvr s ASP 44 Cb -0.02 -2.23 -0.18 0.00 -1.45 0.00 0.00 42.92 39.04 3kvr s ASP 44 CO -0.00 -0.80 1.24 -0.26 0.13 0.00 0.00 175.17 175.48 3kvr h PHE 45 N 8.89 0.28 -0.53 -5.34 -1.00 -1.89 -0.89 116.94 116.47 3kvr h PHE 45 Ca -0.29 -0.10 0.04 0.00 2.81 0.00 0.00 57.97 60.44 3kvr h PHE 45 Cb 1.10 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 40.57 3kvr h PHE 45 CO 0.71 0.73 0.28 -1.35 -1.61 0.00 0.00 178.31 177.07 3kvr h PRO 46 N -0.26 0.53 -0.44 1.51 0.11 -1.78 1.47 132.00 133.16 3kvr h PRO 46 Ca 0.00 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 3kvr h PRO 46 Cb 0.71 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 3kvr h PRO 46 CO 0.03 0.35 0.08 0.00 -0.21 0.00 0.00 178.00 178.26 3kvr h ALA 47 N 1.27 1.33 0.09 -0.75 0.00 -1.90 -1.12 119.26 118.18 3kvr h ALA 47 Ca 0.23 -0.19 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 3kvr h ALA 47 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kvr h ALA 47 CO -0.14 0.47 -1.40 0.52 0.00 0.00 0.00 179.25 178.70 3kvr h MET 48 N 0.64 0.18 0.00 0.00 2.86 0.71 -3.42 114.93 115.90 3kvr h MET 48 Ca 0.14 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3kvr h MET 48 Cb 0.28 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3kvr h MET 48 CO 0.00 1.05 0.00 1.19 1.06 0.00 0.00 176.91 180.21 3kvr n PHE 49 N -3.41 0.00 0.22 -0.22 3.01 0.48 -4.81 117.46 112.74 3kvr n PHE 49 Ca -0.12 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.43 3kvr n PHE 49 Cb 1.02 0.00 0.64 0.00 -0.01 0.00 0.00 39.48 41.13 3kvr n PHE 49 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3kvr h GLY 50 N 0.00 0.02 -0.49 1.37 0.00 -1.27 -0.38 103.07 102.32 3kvr h GLY 50 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3kvr h GLY 50 CO 0.00 0.01 0.00 2.09 0.00 0.00 0.00 176.54 178.64 3kvr n ASP 51 N -4.52 1.07 -4.72 0.19 3.85 -1.26 -4.52 116.55 106.63 3kvr n ASP 51 Ca -0.01 -1.77 -0.42 0.00 -0.71 0.00 0.00 54.79 51.88 3kvr n ASP 51 Cb 0.14 -0.10 -0.03 0.00 -1.35 0.00 0.00 41.12 39.78 3kvr n ASP 51 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3kvr s VAL 52 N -1.80 3.96 -0.01 2.12 1.01 -0.15 -4.32 120.40 121.21 3kvr s VAL 52 Ca 0.24 1.48 0.01 0.00 0.00 0.00 0.00 61.98 63.71 3kvr s VAL 52 Cb 0.12 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 3kvr s VAL 52 CO 0.18 0.16 0.00 0.29 0.00 0.00 0.00 175.10 175.73 3kvr n LYS 53 N 3.45 3.85 -4.28 2.72 4.76 0.91 -4.47 118.16 125.11 3kvr n LYS 53 Ca 0.07 -0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.20 3kvr n LYS 53 Cb 0.46 -1.02 -0.16 0.00 -1.84 0.00 0.00 35.03 32.47 3kvr n LYS 53 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3kvr s PHE 54 N -2.02 2.34 -0.28 2.13 0.40 -0.15 -0.92 117.98 119.48 3kvr s PHE 54 Ca -0.00 -1.26 -0.05 0.00 -0.60 0.00 0.00 56.93 55.02 3kvr s PHE 54 Cb 0.00 -1.66 0.01 0.00 0.51 0.00 0.00 43.02 41.88 3kvr s PHE 54 CO 0.03 -0.64 0.04 0.08 0.70 0.00 0.00 175.22 175.43 3kvr s VAL 55 N 1.19 3.66 -0.21 -0.44 1.01 0.13 -1.78 120.40 123.96 3kvr s VAL 55 Ca -0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 3kvr s VAL 55 Cb -0.14 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 3kvr s VAL 55 CO -0.07 0.12 0.12 0.00 0.00 0.00 0.00 175.10 175.26 3kvr s VAL 57 N 0.64 1.08 0.20 0.00 -7.23 -0.46 -0.95 120.40 113.68 3kvr s VAL 57 Ca 0.06 -0.56 -0.12 0.00 -1.81 0.00 0.00 61.98 59.56 3kvr s VAL 57 Cb -0.12 -0.92 -0.00 0.00 0.56 0.00 0.00 36.38 35.90 3kvr s VAL 57 CO 0.01 0.31 0.40 -0.83 -0.31 0.00 0.00 175.10 174.68 3kvr s GLY 58 N -0.11 0.41 0.08 2.32 0.00 -0.33 -0.70 107.32 108.99 3kvr s GLY 58 Ca 0.01 -0.77 -0.24 0.00 0.00 0.00 0.00 44.72 43.72 3kvr s GLY 58 CO 0.00 -0.66 1.69 -1.33 0.00 0.00 0.00 173.10 172.80 3kvr h GLY 59 N 2.38 -0.10 -6.42 0.20 0.00 -1.79 0.28 103.07 97.62 3kvr h GLY 59 Ca -0.29 0.04 -0.60 0.00 0.00 0.00 0.00 47.33 46.47 3kvr h GLY 59 CO 0.42 -0.04 -0.26 -0.45 0.00 0.00 0.00 176.54 176.21 3kvr s SER 60 N -5.15 6.39 0.54 0.19 0.15 -1.26 -1.70 113.70 112.86 3kvr s SER 60 Ca -0.14 0.46 0.29 0.00 0.70 0.00 0.00 55.95 57.26 3kvr s SER 60 Cb 0.05 -2.21 1.52 0.00 -1.71 0.00 0.00 66.02 63.67 3kvr s SER 60 CO 0.66 -0.03 2.09 1.55 1.20 0.00 0.00 173.24 178.70 3kvr h PRO 61 N 7.30 0.00 -0.11 5.44 0.13 -1.95 -1.70 132.00 141.11 3kvr h PRO 61 Ca -0.37 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.56 3kvr h PRO 61 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 3kvr h PRO 61 CO 0.71 0.10 -0.73 0.77 -0.23 0.00 0.00 178.00 178.62 3kvr h SER 62 N 0.00 0.83 -0.69 1.44 0.02 -1.99 -2.60 113.55 110.57 3kvr h SER 62 Ca -0.00 -0.65 0.04 0.00 -0.84 0.00 0.00 61.79 60.34 3kvr h SER 62 Cb 0.32 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 3kvr h SER 62 CO 0.01 1.36 0.41 -0.09 -1.14 0.00 0.00 176.83 177.38 3kvr h ARG 63 N 0.37 0.76 0.00 3.45 2.43 -1.91 0.56 114.38 120.03 3kvr h ARG 63 Ca -0.06 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.93 3kvr h ARG 63 Cb 1.37 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 3kvr h ARG 63 CO 0.15 0.50 -0.63 0.52 -1.51 0.00 0.00 179.97 179.00 3kvr h MET 64 N 0.78 0.00 -0.23 0.20 2.86 -1.35 0.17 114.93 117.36 3kvr h MET 64 Ca 0.29 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.83 3kvr h MET 64 Cb 0.10 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 3kvr h MET 64 CO -0.14 0.63 -0.26 -0.22 1.06 0.00 0.00 176.91 177.99 3kvr h LYS 65 N 0.00 0.58 -0.37 1.72 3.64 -1.23 -1.35 116.57 119.57 3kvr h LYS 65 Ca -0.01 -0.32 0.05 0.00 -1.27 0.00 0.00 60.65 59.11 3kvr h LYS 65 Cb 1.34 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.13 3kvr h LYS 65 CO 0.08 0.91 0.09 0.00 -2.27 0.00 0.00 179.45 178.27 3kvr h ALA 66 N 0.66 0.41 -0.38 5.00 0.00 -0.44 -2.36 119.26 122.14 3kvr h ALA 66 Ca 0.03 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3kvr h ALA 66 Cb 0.82 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3kvr h ALA 66 CO 0.06 -0.31 0.21 0.35 0.00 0.00 0.00 179.25 179.57 3kvr h PHE 67 N 0.23 0.40 0.00 0.00 3.04 -0.64 -0.67 116.94 119.29 3kvr h PHE 67 Ca 0.17 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.12 3kvr h PHE 67 Cb 0.18 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.57 3kvr h PHE 67 CO -0.17 0.22 -0.07 0.97 -2.02 0.00 0.00 178.31 177.23 3kvr h ILE 68 N 0.43 0.35 0.04 1.41 6.09 -0.73 -0.99 117.51 124.11 3kvr h ILE 68 Ca 0.16 -0.43 -0.34 0.00 -1.37 0.00 0.00 64.86 62.88 3kvr h ILE 68 Cb 0.03 1.31 -0.04 0.00 0.47 0.00 0.00 36.82 38.59 3kvr h ILE 68 CO -0.09 0.07 -1.98 2.29 -3.07 0.00 0.00 178.15 175.37 3kvr n LYS 69 N -3.43 0.68 -0.21 2.19 2.85 -0.66 -1.64 118.16 117.94 3kvr n LYS 69 Ca -0.02 0.22 0.02 0.00 -1.05 0.00 0.00 58.31 57.49 3kvr n LYS 69 Cb 0.22 -1.70 0.12 0.00 -0.65 0.00 0.00 35.03 33.03 3kvr n LYS 69 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 177.40 176.43 3kvr h TYR 70 N 0.02 0.15 -0.03 5.58 3.20 -1.01 -2.36 116.97 122.53 3kvr h TYR 70 Ca -0.40 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.51 3kvr h TYR 70 Cb 2.05 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 40.35 3kvr h TYR 70 CO 0.03 -0.08 -0.00 0.28 -1.64 0.00 0.00 178.16 176.74 3kvr h VAL 71 N 0.22 1.28 -0.95 1.81 2.07 -1.19 -2.66 116.25 116.84 3kvr h VAL 71 Ca 0.34 -0.86 0.20 0.00 0.82 0.00 0.00 66.70 67.21 3kvr h VAL 71 Cb 0.54 1.81 -0.18 0.00 -1.52 0.00 0.00 31.29 31.95 3kvr h VAL 71 CO -0.47 0.23 -0.19 0.00 0.02 0.00 0.00 177.57 177.16 3kvr h ALA 72 N 0.66 0.71 -0.32 1.67 0.00 -1.26 0.40 119.26 121.12 3kvr h ALA 72 Ca 0.01 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3kvr h ALA 72 Cb 0.37 0.69 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3kvr h ALA 72 CO 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.84 3kvr n MET 73 N -5.58 2.91 0.00 0.00 -0.00 -0.90 0.17 117.12 113.72 3kvr n MET 73 Ca 0.16 -1.64 0.00 0.00 -0.00 0.00 0.00 57.70 56.22 3kvr n MET 73 Cb 0.52 -1.82 0.00 0.00 -0.00 0.00 0.00 33.22 31.92 3kvr n MET 73 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 3kvr n GLU 74 N 0.39 2.14 -0.57 3.17 4.07 -0.03 -4.34 120.64 125.46 3kvr n GLU 74 Ca 0.15 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.35 3kvr n GLU 74 Cb 0.69 -0.79 0.36 0.00 -0.06 0.00 0.00 31.44 31.64 3kvr n GLU 74 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3kvr n LEU 75 N -1.02 4.63 -3.15 4.31 4.77 -0.23 -5.00 117.00 121.31 3kvr n LEU 75 Ca 0.00 -2.33 -0.20 0.00 -0.03 0.00 0.00 56.01 53.44 3kvr n LEU 75 Cb 0.00 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 40.54 3kvr n LEU 75 CO 0.00 0.85 -0.17 0.61 -1.33 0.00 0.00 177.39 177.35 3kvr n GLY 76 N 1.28 -0.80 0.11 -0.72 0.00 -1.12 -4.95 105.19 98.98 3kvr n GLY 76 Ca 0.26 1.08 0.01 0.00 0.00 0.00 0.00 46.02 47.37 3kvr n GLY 76 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kvr n PHE 77 N -0.07 0.00 -0.47 1.61 3.01 0.13 -4.99 117.46 116.68 3kvr n PHE 77 Ca 0.01 -0.16 -0.07 0.00 1.01 0.00 0.00 57.45 58.24 3kvr n PHE 77 Cb 0.53 -0.03 -0.07 0.00 -0.01 0.00 0.00 39.48 39.90 3kvr n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kvr n ALA 78 N -0.19 3.52 -0.82 4.37 0.00 -1.23 -4.88 120.51 121.27 3kvr n ALA 78 Ca 0.01 -0.92 -0.07 0.00 0.00 0.00 0.00 53.44 52.47 3kvr n ALA 78 Cb 0.51 -2.35 0.10 0.00 0.00 0.00 0.00 19.45 17.71 3kvr n ALA 78 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kvr n HIS 79 N 2.94 -2.87 -0.10 0.00 8.25 -1.26 -4.98 115.22 117.20 3kvr n HIS 79 Ca 0.21 -0.32 -0.24 0.00 -0.26 0.00 0.00 57.72 57.12 3kvr n HIS 79 Cb 0.39 -0.44 -0.11 0.00 1.12 0.00 0.00 29.99 30.95 3kvr n HIS 79 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3kvr n PRO 80 N -3.16 0.60 0.00 -0.41 -0.04 -1.26 -3.75 135.00 126.98 3kvr n PRO 80 Ca 0.05 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 3kvr n PRO 80 Cb 0.22 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 3kvr n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kvr n GLY 81 N 1.50 0.58 0.38 0.55 0.00 -1.26 -4.84 105.19 102.10 3kvr n GLY 81 Ca -0.40 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 3kvr n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvr n ALA 82 N 0.04 0.12 -2.77 4.61 0.00 -1.25 -4.89 120.51 116.37 3kvr n ALA 82 Ca 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 3kvr n ALA 82 Cb 0.12 -0.26 -0.14 0.00 0.00 0.00 0.00 19.45 19.17 3kvr n ALA 82 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3kvr s ASP 83 N 0.00 0.74 -0.33 0.00 -4.77 -1.26 -5.12 116.67 105.93 3kvr s ASP 83 Ca 0.14 -0.21 -0.00 0.00 -3.30 0.00 0.00 52.55 49.18 3kvr s ASP 83 Cb -0.09 -0.05 0.07 0.00 -1.09 0.00 0.00 42.92 41.76 3kvr s ASP 83 CO 0.06 0.01 0.04 -0.31 0.70 0.00 0.00 175.17 175.67 3kvr s TYR 84 N -0.42 3.43 0.36 2.11 2.02 -1.26 -5.09 117.35 118.50 3kvr s TYR 84 Ca -0.00 -2.26 -0.28 0.00 -0.37 0.00 0.00 57.07 54.16 3kvr s TYR 84 Cb -0.04 -2.49 -0.10 0.00 -0.40 0.00 0.00 41.96 38.93 3kvr s TYR 84 CO -0.00 -0.88 1.36 -1.25 -1.57 0.00 0.00 175.55 173.21 3kvr s PRO 85 N 1.14 4.19 -0.39 -1.71 0.04 -1.26 -4.97 135.00 132.05 3kvr s PRO 85 Ca 0.00 2.31 -0.29 0.00 0.04 0.00 0.00 61.00 63.06 3kvr s PRO 85 Cb -0.20 -2.97 0.02 0.00 0.04 0.00 0.00 34.50 31.38 3kvr s PRO 85 CO -0.04 -0.36 1.20 1.21 0.04 0.00 0.00 177.00 179.05 3kvr s ASN 86 N -0.44 6.67 0.05 6.66 2.47 -1.26 -4.61 114.94 124.48 3kvr s ASN 86 Ca 0.52 0.83 0.24 0.00 0.42 0.00 0.00 52.86 54.87 3kvr s ASN 86 Cb -0.41 -2.54 0.97 0.00 -1.45 0.00 0.00 41.25 37.81 3kvr s ASN 86 CO 0.55 -1.15 1.75 2.30 -3.72 0.00 0.00 177.10 176.83 3kvr n ILE 87 N 6.49 0.46 -0.01 -5.21 -6.64 0.14 -1.61 119.36 112.98 3kvr n ILE 87 Ca 0.13 0.06 0.06 0.00 -1.77 0.00 0.00 62.75 61.23 3kvr n ILE 87 Cb 0.48 -0.73 0.25 0.00 -1.44 0.00 0.00 39.64 38.20 3kvr n ILE 87 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3kvr s GLU 89 N -1.87 2.71 0.00 0.00 0.41 -0.63 -1.27 118.70 118.05 3kvr s GLU 89 Ca 0.35 1.71 0.00 0.00 -0.41 0.00 0.00 54.97 56.62 3kvr s GLU 89 Cb 0.24 -4.45 0.00 0.00 -1.78 0.00 0.00 34.13 28.14 3kvr s GLU 89 CO 0.15 -2.58 0.00 0.41 -0.49 0.00 0.00 175.26 172.75 3kvr n GLY 90 N 5.84 1.91 3.36 -1.39 0.00 -1.26 -5.11 105.19 108.55 3kvr n GLY 90 Ca 0.32 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 3kvr n GLY 90 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kvr s THR 91 N 0.00 0.00 -0.37 2.61 -1.32 -0.39 -4.90 115.64 111.27 3kvr s THR 91 Ca 0.00 -1.77 0.08 0.00 -1.21 0.00 0.00 61.69 58.78 3kvr s THR 91 Cb 0.00 -2.42 0.20 0.00 -1.51 0.00 0.00 72.50 68.77 3kvr s THR 91 CO 0.00 0.00 1.15 -0.90 -2.21 0.00 0.00 174.62 172.66 3kvr n ASP 92 N -0.52 2.58 -0.09 8.08 3.85 -1.26 -4.78 116.55 124.41 3kvr n ASP 92 Ca 0.01 -2.24 -0.12 0.00 -0.71 0.00 0.00 54.79 51.74 3kvr n ASP 92 Cb 0.64 -0.19 -0.04 0.00 -1.35 0.00 0.00 41.12 40.17 3kvr n ASP 92 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 3kvr h ARG 93 N 0.92 0.52 -3.74 0.11 2.47 -1.93 -3.46 114.38 109.27 3kvr h ARG 93 Ca 0.00 -0.21 -0.12 0.00 -1.26 0.00 0.00 59.98 58.38 3kvr h ARG 93 Cb 0.74 -0.02 -0.17 0.00 -1.65 0.00 0.00 29.97 28.87 3kvr h ARG 93 CO 0.02 0.76 -0.49 0.71 0.56 0.00 0.00 179.97 181.53 3kvr s TYR 94 N -4.66 0.16 0.13 3.04 1.51 -1.26 -4.75 117.35 111.52 3kvr s TYR 94 Ca -0.13 -0.45 0.05 0.00 -1.01 0.00 0.00 57.07 55.53 3kvr s TYR 94 Cb 0.07 -0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 41.77 3kvr s TYR 94 CO 0.77 -0.39 0.04 0.00 -1.11 0.00 0.00 175.55 174.87 3kvr s ALA 95 N -2.64 3.36 -0.09 3.71 0.00 -1.26 -4.76 121.76 120.07 3kvr s ALA 95 Ca -0.05 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.66 3kvr s ALA 95 Cb -0.01 -1.20 0.04 0.00 0.00 0.00 0.00 23.12 21.95 3kvr s ALA 95 CO -0.05 0.60 0.23 1.41 0.00 0.00 0.00 175.76 177.95 3kvr s MET 96 N -2.68 0.21 0.04 0.00 0.00 -1.26 -1.06 119.30 114.55 3kvr s MET 96 Ca 0.28 0.44 0.00 0.00 0.00 0.00 0.00 55.69 56.41 3kvr s MET 96 Cb -0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 34.83 34.64 3kvr s MET 96 CO 0.20 -0.12 -0.04 -0.06 0.00 0.00 0.00 175.02 175.00 3kvr s PHE 97 N 0.90 0.49 -0.02 4.11 0.40 0.45 0.25 117.98 124.56 3kvr s PHE 97 Ca -0.06 -0.78 -0.01 0.00 -0.60 0.00 0.00 56.93 55.48 3kvr s PHE 97 Cb -0.08 -0.33 0.02 0.00 0.51 0.00 0.00 43.02 43.14 3kvr s PHE 97 CO -0.06 -0.24 0.05 0.21 0.70 0.00 0.00 175.22 175.88 3kvr s LYS 98 N -2.71 0.01 -0.04 0.44 2.20 -1.26 -0.99 119.74 117.39 3kvr s LYS 98 Ca -0.03 0.15 -0.01 0.00 -0.36 0.00 0.00 55.97 55.72 3kvr s LYS 98 Cb -0.01 -0.12 0.03 0.00 -1.51 0.00 0.00 37.83 36.22 3kvr s LYS 98 CO -0.05 -0.10 0.06 0.54 -0.36 0.00 0.00 175.35 175.45 3kvr s VAL 99 N 0.62 -0.09 0.00 4.02 0.11 -0.04 -4.97 120.40 120.05 3kvr s VAL 99 Ca -0.05 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 3kvr s VAL 99 Cb -0.07 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 3kvr s VAL 99 CO -0.02 0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.48 3kvr n GLY 100 N 4.58 2.72 0.33 6.54 0.00 -1.26 -1.36 105.19 116.73 3kvr n GLY 100 Ca -0.19 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.46 3kvr n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kvr n PRO 101 N 12.60 1.31 -4.18 1.61 -0.04 -1.26 -4.71 135.00 140.32 3kvr n PRO 101 Ca 0.00 -0.36 -0.34 0.00 -0.04 0.00 0.00 63.50 62.76 3kvr n PRO 101 Cb 0.00 -1.23 -0.14 0.00 -0.04 0.00 0.00 33.50 32.08 3kvr n PRO 101 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kvr s VAL 102 N -1.68 3.08 -0.10 0.52 1.01 -0.47 -0.06 120.40 122.69 3kvr s VAL 102 Ca 0.07 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3kvr s VAL 102 Cb 0.04 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 3kvr s VAL 102 CO 0.04 0.47 -0.17 -0.22 0.00 0.00 0.00 175.10 175.22 3kvr s LEU 103 N 1.13 2.52 -0.15 3.92 2.96 -0.73 -0.86 118.68 127.46 3kvr s LEU 103 Ca 0.01 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3kvr s LEU 103 Cb -0.14 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 45.03 3kvr s LEU 103 CO -0.02 0.20 -0.18 -0.55 -1.32 0.00 0.00 176.35 174.47 3kvr s SER 104 N 0.13 2.90 -0.03 3.68 0.15 -0.16 -0.27 113.70 120.10 3kvr s SER 104 Ca -0.09 -0.56 0.02 0.00 0.70 0.00 0.00 55.95 56.02 3kvr s SER 104 Cb -0.15 -1.33 0.01 0.00 -1.71 0.00 0.00 66.02 62.84 3kvr s SER 104 CO 0.05 0.01 -0.07 -0.69 1.20 0.00 0.00 173.24 173.74 3kvr s VAL 105 N 1.19 0.61 0.34 4.45 1.01 -0.13 -0.41 120.40 127.46 3kvr s VAL 105 Ca 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 3kvr s VAL 105 Cb -0.14 -0.57 -0.06 0.00 0.00 0.00 0.00 36.38 35.62 3kvr s VAL 105 CO -0.08 0.21 0.65 -0.94 0.00 0.00 0.00 175.10 174.93 3kvr s SER 106 N 0.34 6.48 0.00 3.32 1.04 -0.22 -1.19 113.70 123.47 3kvr s SER 106 Ca -0.05 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.27 3kvr s SER 106 Cb -0.09 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.81 3kvr s SER 106 CO 0.00 -0.28 0.39 0.00 0.98 0.00 0.00 173.24 174.33 3kvr n HIS 107 N -1.09 0.00 -4.74 5.02 1.44 0.99 -4.43 115.22 112.40 3kvr n HIS 107 Ca 0.00 -0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.64 3kvr n HIS 107 Cb 0.54 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.64 3kvr n HIS 107 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kvr n GLY 108 N -0.07 -0.23 3.47 -1.39 0.00 -0.69 -3.18 105.19 103.11 3kvr n GLY 108 Ca 0.00 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 3kvr n GLY 108 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kvr s MET 109 N 0.00 3.16 0.00 1.61 -1.94 -1.26 -4.41 119.30 116.46 3kvr s MET 109 Ca 0.00 -0.61 0.00 0.00 -1.71 0.00 0.00 55.69 53.37 3kvr s MET 109 Cb 0.00 -2.65 0.00 0.00 2.01 0.00 0.00 34.83 34.19 3kvr s MET 109 CO 0.00 0.40 0.00 0.41 -0.01 0.00 0.00 175.02 175.82 3kvr n GLY 110 N 3.01 2.83 0.30 -0.03 0.00 -1.26 -4.48 105.19 105.58 3kvr n GLY 110 Ca -0.18 -1.74 -0.04 0.00 0.00 0.00 0.00 46.02 44.07 3kvr n GLY 110 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kvr h VAL 111 N 0.00 0.25 -0.63 1.61 2.07 -1.74 -2.31 116.25 115.50 3kvr h VAL 111 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3kvr h VAL 111 Cb 0.00 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 3kvr h VAL 111 CO 0.00 0.00 0.18 -0.65 0.02 0.00 0.00 177.57 177.12 3kvr h PRO 112 N -0.11 0.96 -0.72 1.57 0.11 -1.90 -0.23 132.00 131.68 3kvr h PRO 112 Ca 0.26 -0.20 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 3kvr h PRO 112 Cb 0.52 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 3kvr h PRO 112 CO -0.65 0.84 0.18 1.03 -0.21 0.00 0.00 178.00 179.18 3kvr h SER 113 N 0.93 1.09 0.15 -2.05 0.87 -1.70 -1.98 113.55 110.86 3kvr h SER 113 Ca 0.21 -0.23 -0.20 0.00 -1.23 0.00 0.00 61.79 60.33 3kvr h SER 113 Cb 0.29 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3kvr h SER 113 CO -0.01 1.04 -0.77 -0.29 -0.53 0.00 0.00 176.83 176.27 3kvr h ILE 114 N 1.09 1.35 -0.81 2.23 2.10 -1.37 -2.72 117.51 119.38 3kvr h ILE 114 Ca 0.23 -2.12 0.06 0.00 1.08 0.00 0.00 64.86 64.10 3kvr h ILE 114 Cb 0.37 2.11 -0.06 0.00 -1.09 0.00 0.00 36.82 38.15 3kvr h ILE 114 CO 0.00 0.65 0.49 0.00 -1.08 0.00 0.00 178.15 178.21 3kvr h ALA 115 N 0.81 1.10 -0.03 0.18 0.00 -0.73 0.24 119.26 120.84 3kvr h ALA 115 Ca -0.04 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kvr h ALA 115 Cb 1.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3kvr h ALA 115 CO 0.14 0.22 -0.01 0.82 0.00 0.00 0.00 179.25 180.42 3kvr h ILE 116 N 0.90 0.96 -0.59 0.00 2.04 -1.41 0.02 117.51 119.44 3kvr h ILE 116 Ca 0.35 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.26 3kvr h ILE 116 Cb 0.17 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 3kvr h ILE 116 CO -0.17 0.00 0.31 -0.03 0.00 0.00 0.00 178.15 178.26 3kvr h MET 117 N -0.01 0.58 -0.40 2.37 4.05 -1.08 -2.61 114.93 117.82 3kvr h MET 117 Ca 0.01 -0.03 -0.11 0.00 -0.28 0.00 0.00 59.70 59.29 3kvr h MET 117 Cb 0.03 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 3kvr h MET 117 CO -0.03 0.38 -0.18 -0.07 0.23 0.00 0.00 176.91 177.24 3kvr h LEU 118 N 0.59 0.84 -0.41 3.39 3.38 -0.19 0.33 115.31 123.25 3kvr h LEU 118 Ca 0.26 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.90 3kvr h LEU 118 Cb 0.16 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 3kvr h LEU 118 CO -0.17 1.05 0.05 0.45 0.09 0.00 0.00 178.44 179.92 3kvr h HIS 119 N 0.63 0.08 -0.08 1.13 3.86 -0.82 0.15 115.15 120.10 3kvr h HIS 119 Ca 0.09 0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 59.12 3kvr h HIS 119 Cb 0.73 0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.23 3kvr h HIS 119 CO 0.06 -0.02 -0.80 0.93 0.86 0.00 0.00 177.93 178.96 3kvr h GLU 120 N 0.17 0.50 -0.10 2.45 5.08 -1.23 -2.39 114.58 119.06 3kvr h GLU 120 Ca 0.20 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3kvr h GLU 120 Cb 0.26 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3kvr h GLU 120 CO -0.29 1.08 0.01 1.25 -1.00 0.00 0.00 179.01 180.06 3kvr h LEU 121 N 0.33 0.17 0.12 1.33 5.85 0.14 0.22 115.31 123.47 3kvr h LEU 121 Ca -0.05 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.40 3kvr h LEU 121 Cb 1.40 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 3kvr h LEU 121 CO 0.14 0.41 -0.16 0.40 -0.34 0.00 0.00 178.44 178.90 3kvr h ILE 122 N -0.08 0.64 -0.61 4.05 2.04 -0.75 0.11 117.51 122.91 3kvr h ILE 122 Ca 0.03 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.01 3kvr h ILE 122 Cb 0.32 0.64 -0.11 0.00 -0.74 0.00 0.00 36.82 36.93 3kvr h ILE 122 CO 0.00 0.00 -0.11 0.11 0.00 0.00 0.00 178.15 178.16 3kvr h LYS 123 N -0.32 0.03 -0.32 2.37 1.57 -1.39 -1.15 116.57 117.35 3kvr h LYS 123 Ca 0.01 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3kvr h LYS 123 Cb 0.33 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3kvr h LYS 123 CO -0.07 0.02 0.06 1.25 -0.57 0.00 0.00 179.45 180.14 3kvr h LEU 124 N 0.03 0.01 -1.04 2.94 6.46 0.23 0.19 115.31 124.14 3kvr h LEU 124 Ca 0.30 0.05 0.15 0.00 -0.12 0.00 0.00 57.88 58.27 3kvr h LEU 124 Cb 0.47 0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 40.38 3kvr h LEU 124 CO -0.60 0.04 0.62 -0.07 -0.62 0.00 0.00 178.44 177.82 3kvr h LEU 125 N 0.18 0.84 0.10 2.25 3.38 0.12 0.21 115.31 122.39 3kvr h LEU 125 Ca 0.15 0.07 -0.27 0.00 0.09 0.00 0.00 57.88 57.91 3kvr h LEU 125 Cb 0.16 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 40.85 3kvr h LEU 125 CO -0.20 0.39 -1.13 0.22 0.09 0.00 0.00 178.44 177.81 3kvr h TYR 126 N 0.87 0.93 0.00 1.13 5.03 0.18 -2.31 116.97 122.80 3kvr h TYR 126 Ca 0.53 -0.58 -0.02 0.00 2.58 0.00 0.00 58.73 61.24 3kvr h TYR 126 Cb 0.69 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.89 3kvr h TYR 126 CO -0.00 1.43 -0.10 0.45 -1.32 0.00 0.00 178.16 178.61 3kvr h HIS 127 N 0.18 0.00 -0.00 -3.82 3.86 0.32 0.12 115.15 115.81 3kvr h HIS 127 Ca -0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 3kvr h HIS 127 Cb 1.82 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.29 3kvr h HIS 127 CO 0.13 0.10 -0.08 0.00 0.86 0.00 0.00 177.93 178.94 3kvr n ALA 128 N -2.22 2.68 -3.95 2.45 0.00 0.65 -4.17 120.51 115.95 3kvr n ALA 128 Ca -0.01 -0.22 -0.28 0.00 0.00 0.00 0.00 53.44 52.93 3kvr n ALA 128 Cb 0.25 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 3kvr n ALA 128 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kvr n HIS 129 N -1.09 -1.85 -1.22 0.00 8.25 0.42 -4.21 115.22 115.51 3kvr n HIS 129 Ca 0.14 0.81 -0.33 0.00 -0.26 0.00 0.00 57.72 58.08 3kvr n HIS 129 Cb 0.26 -3.76 0.11 0.00 1.12 0.00 0.00 29.99 27.72 3kvr n HIS 129 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kvr s SER 131 N -2.52 0.07 -1.43 0.00 1.04 -1.26 -2.06 113.70 107.54 3kvr s SER 131 Ca 0.69 -0.57 -0.03 0.00 0.48 0.00 0.00 55.95 56.52 3kvr s SER 131 Cb -0.24 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.23 3kvr s SER 131 CO 0.50 -0.72 0.31 0.61 0.98 0.00 0.00 173.24 174.92 3kvr n GLY 132 N 0.02 -0.26 3.89 7.32 0.00 -1.26 -4.78 105.19 110.12 3kvr n GLY 132 Ca -0.16 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3kvr n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kvr s VAL 133 N -4.06 5.00 -0.07 1.61 1.01 -1.26 -4.83 120.40 117.81 3kvr s VAL 133 Ca 0.05 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.35 3kvr s VAL 133 Cb -0.02 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.72 3kvr s VAL 133 CO 0.93 -0.09 -0.16 -0.89 0.00 0.00 0.00 175.10 174.89 3kvr s THR 134 N -1.83 1.39 -0.21 3.92 2.01 -0.10 -4.27 115.64 116.55 3kvr s THR 134 Ca 0.45 -0.64 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 3kvr s THR 134 Cb -0.11 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 3kvr s THR 134 CO 0.24 0.41 0.03 -0.76 -0.69 0.00 0.00 174.62 173.84 3kvr s LEU 135 N 0.52 3.38 -0.05 4.42 2.01 -0.16 0.17 118.68 128.97 3kvr s LEU 135 Ca -0.14 -0.16 0.04 0.00 0.01 0.00 0.00 54.13 53.87 3kvr s LEU 135 Cb -0.16 -1.87 0.00 0.00 0.01 0.00 0.00 46.19 44.17 3kvr s LEU 135 CO 0.05 0.06 -0.16 -0.63 1.01 0.00 0.00 176.35 176.68 3kvr s ILE 136 N 1.04 1.37 -0.17 -0.59 1.01 0.10 -0.07 121.20 123.90 3kvr s ILE 136 Ca 0.03 -0.66 -0.21 0.00 0.00 0.00 0.00 60.65 59.81 3kvr s ILE 136 Cb -0.14 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 3kvr s ILE 136 CO 0.02 0.40 0.62 -0.60 0.00 0.00 0.00 174.94 175.38 3kvr s ARG 137 N 0.24 4.26 -0.25 2.79 3.52 -0.29 -1.36 118.95 127.86 3kvr s ARG 137 Ca -0.08 0.63 -0.05 0.00 -0.13 0.00 0.00 55.73 56.11 3kvr s ARG 137 Cb -0.13 -3.54 0.00 0.00 -1.56 0.00 0.00 34.95 29.72 3kvr s ARG 137 CO 0.03 -0.15 0.00 0.96 -0.81 0.00 0.00 175.30 175.33 3kvr s ILE 138 N 1.60 3.52 0.09 4.11 -4.36 0.12 -1.43 121.20 124.84 3kvr s ILE 138 Ca 0.30 -0.66 0.01 0.00 -0.26 0.00 0.00 60.65 60.03 3kvr s ILE 138 Cb -0.16 -2.72 -0.00 0.00 1.25 0.00 0.00 42.46 40.83 3kvr s ILE 138 CO 0.11 0.25 0.10 0.61 0.24 0.00 0.00 174.94 176.26 3kvr n GLY 139 N 4.80 3.29 3.49 6.27 0.00 -0.70 -4.35 105.19 117.99 3kvr n GLY 139 Ca -0.16 -1.58 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 3kvr n GLY 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kvr s THR 140 N -2.44 2.35 0.24 2.61 -4.23 -1.26 -1.60 115.64 111.30 3kvr s THR 140 Ca 0.09 -2.32 -0.22 0.00 -1.18 0.00 0.00 61.69 58.05 3kvr s THR 140 Cb 0.00 -2.42 0.04 0.00 1.34 0.00 0.00 72.50 71.45 3kvr s THR 140 CO 0.06 -0.33 0.81 -0.94 -0.54 0.00 0.00 174.62 173.68 3kvr s SER 141 N -3.54 -0.22 -0.07 3.99 1.04 0.10 -4.84 113.70 110.16 3kvr s SER 141 Ca 0.31 -0.55 -0.15 0.00 0.48 0.00 0.00 55.95 56.04 3kvr s SER 141 Cb -0.02 0.65 -0.05 0.00 0.10 0.00 0.00 66.02 66.70 3kvr s SER 141 CO 0.15 -1.20 0.38 -0.83 0.98 0.00 0.00 173.24 172.73 3kvr s GLY 142 N -2.94 2.38 0.29 7.32 0.00 -0.88 -0.51 107.32 112.99 3kvr s GLY 142 Ca 0.12 -0.29 -0.07 0.00 0.00 0.00 0.00 44.72 44.48 3kvr s GLY 142 CO 0.05 0.33 0.58 -0.32 0.00 0.00 0.00 173.10 173.75 3kvr s GLY 143 N -0.31 1.97 -0.31 0.20 0.00 0.22 0.24 107.32 109.34 3kvr s GLY 143 Ca 0.22 -0.44 -0.05 0.00 0.00 0.00 0.00 44.72 44.45 3kvr s GLY 143 CO 0.10 -0.31 0.05 -0.42 0.00 0.00 0.00 173.10 172.52 3kvr s ILE 144 N -2.06 3.53 -0.17 0.90 1.01 0.15 0.54 121.20 125.10 3kvr s ILE 144 Ca 0.46 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 60.04 3kvr s ILE 144 Cb -0.11 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.43 3kvr s ILE 144 CO 0.28 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.78 3kvr n GLY 145 N 4.76 0.38 3.30 6.18 0.00 -1.26 -4.80 105.19 113.75 3kvr n GLY 145 Ca -0.14 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 3kvr n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvr s LEU 146 N -0.50 2.36 0.48 0.99 1.43 -1.26 -5.13 118.68 117.06 3kvr s LEU 146 Ca 0.00 -0.77 -0.23 0.00 -1.03 0.00 0.00 54.13 52.11 3kvr s LEU 146 Cb 0.00 -0.83 -0.07 0.00 0.03 0.00 0.00 46.19 45.32 3kvr s LEU 146 CO 0.00 0.00 1.22 -1.83 0.23 0.00 0.00 176.35 175.98 3kvr s GLU 147 N -2.32 3.58 0.48 1.70 -1.05 -1.26 -4.48 118.70 115.34 3kvr s GLU 147 Ca 0.10 1.91 -0.24 0.00 -0.15 0.00 0.00 54.97 56.60 3kvr s GLU 147 Cb -0.08 -2.37 -0.08 0.00 -0.44 0.00 0.00 34.13 31.16 3kvr s GLU 147 CO 0.05 -0.74 1.28 -2.30 0.95 0.00 0.00 175.26 174.50 3kvr n PRO 148 N -0.63 1.80 0.00 -4.83 -0.02 -1.26 -2.43 135.00 127.62 3kvr n PRO 148 Ca 0.08 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3kvr n PRO 148 Cb 0.47 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3kvr n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kvr n GLY 149 N 0.82 0.79 3.74 -1.23 0.00 0.08 -5.00 105.19 104.40 3kvr n GLY 149 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3kvr n GLY 149 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kvr s SER 150 N -2.32 6.80 -0.07 1.61 0.01 -1.02 -4.63 113.70 114.09 3kvr s SER 150 Ca 0.00 2.51 -0.15 0.00 1.31 0.00 0.00 55.95 59.62 3kvr s SER 150 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 3kvr s SER 150 CO 0.00 -0.59 0.40 -0.69 0.41 0.00 0.00 173.24 172.78 3kvr s VAL 151 N -0.02 5.14 -0.17 3.43 1.01 -0.53 -0.20 120.40 129.06 3kvr s VAL 151 Ca 0.57 0.81 -0.02 0.00 0.00 0.00 0.00 61.98 63.34 3kvr s VAL 151 Cb -0.39 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 3kvr s VAL 151 CO 0.41 0.47 -0.08 -0.69 0.00 0.00 0.00 175.10 175.20 3kvr s VAL 152 N -0.27 3.32 -0.24 2.92 1.01 -0.26 -0.82 120.40 126.06 3kvr s VAL 152 Ca 0.23 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 3kvr s VAL 152 Cb -0.15 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3kvr s VAL 152 CO 0.10 0.49 0.08 -0.51 0.00 0.00 0.00 175.10 175.26 3kvr s ILE 153 N 0.73 4.47 0.03 2.22 1.10 0.32 -2.24 121.20 127.83 3kvr s ILE 153 Ca -0.04 -0.12 -0.30 0.00 -0.51 0.00 0.00 60.65 59.68 3kvr s ILE 153 Cb -0.15 -3.08 -0.04 0.00 0.15 0.00 0.00 42.46 39.34 3kvr s ILE 153 CO 0.02 0.35 1.02 -0.89 -2.11 0.00 0.00 174.94 173.33 3kvr s THR 154 N 1.42 4.64 -0.15 4.00 2.01 -0.28 -3.02 115.64 124.25 3kvr s THR 154 Ca 0.06 1.95 -0.15 0.00 0.31 0.00 0.00 61.69 63.86 3kvr s THR 154 Cb -0.15 -4.25 -0.12 0.00 0.01 0.00 0.00 72.50 67.99 3kvr s THR 154 CO 0.04 0.18 0.17 -0.09 -0.69 0.00 0.00 174.62 174.23 3kvr h ARG 155 N 6.54 0.00 -4.56 4.92 2.43 -1.08 -3.42 114.38 119.21 3kvr h ARG 155 Ca -0.42 0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 58.32 3kvr h ARG 155 Cb 1.22 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 30.46 3kvr h ARG 155 CO 0.75 0.51 -0.79 -0.65 -1.51 0.00 0.00 179.97 178.28 3kvr s GLN 156 N -2.13 0.99 0.39 0.20 -0.21 -1.26 -1.99 119.66 115.64 3kvr s GLN 156 Ca -0.17 -0.30 -0.23 0.00 0.02 0.00 0.00 55.36 54.68 3kvr s GLN 156 Cb 0.02 -0.92 -0.10 0.00 1.00 0.00 0.00 33.01 33.01 3kvr s GLN 156 CO 0.38 0.10 0.97 0.00 -2.12 0.00 0.00 175.29 174.62 3kvr s ALA 157 N 0.24 3.10 0.04 6.09 0.00 -0.87 -2.27 121.76 128.09 3kvr s ALA 157 Ca -0.04 0.50 -0.04 0.00 0.00 0.00 0.00 51.96 52.39 3kvr s ALA 157 Cb -0.09 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 3kvr s ALA 157 CO 0.01 0.07 0.05 0.54 0.00 0.00 0.00 175.76 176.42 3kvr s VAL 158 N -1.88 0.15 0.48 0.00 0.11 0.98 -4.33 120.40 115.91 3kvr s VAL 158 Ca 0.57 -1.21 -0.04 0.00 -2.93 0.00 0.00 61.98 58.37 3kvr s VAL 158 Cb -0.15 -0.93 0.10 0.00 -1.53 0.00 0.00 36.38 33.87 3kvr s VAL 158 CO 0.20 -0.67 0.66 -0.90 -3.33 0.00 0.00 175.10 171.06 3kvr n ASP 159 N 0.75 0.44 0.05 3.54 3.85 0.06 -0.73 116.55 124.50 3kvr n ASP 159 Ca -0.19 -1.47 0.08 0.00 -0.71 0.00 0.00 54.79 52.50 3kvr n ASP 159 Cb 0.59 -0.47 0.36 0.00 -1.35 0.00 0.00 41.12 40.25 3kvr n ASP 159 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 3kvr n PRO 160 N -2.31 0.07 -0.44 0.11 -0.02 -1.26 -0.32 135.00 130.83 3kvr n PRO 160 Ca 0.09 0.33 0.06 0.00 -2.02 0.00 0.00 63.50 61.97 3kvr n PRO 160 Cb 0.33 -1.63 0.25 0.00 -0.02 0.00 0.00 33.50 32.43 3kvr n PRO 160 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kvr n PHE 162 N 0.67 0.00 -3.33 0.00 0.99 0.56 -5.01 117.46 111.34 3kvr n PHE 162 Ca 0.18 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.28 3kvr n PHE 162 Cb 0.66 -2.13 -0.06 0.00 -1.00 0.00 0.00 39.48 36.95 3kvr n PHE 162 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3kvr s LYS 163 N -2.35 3.99 -1.54 -1.08 1.02 -1.26 -4.72 119.74 113.81 3kvr s LYS 163 Ca 0.00 0.51 -0.11 0.00 0.02 0.00 0.00 55.97 56.39 3kvr s LYS 163 Cb 0.00 -2.89 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 3kvr s LYS 163 CO 0.00 0.45 2.66 -0.35 -0.92 0.00 0.00 175.35 177.19 3kvr n PRO 164 N 0.68 3.55 -3.89 -1.68 -0.05 -1.26 -0.76 135.00 131.58 3kvr n PRO 164 Ca -0.04 -2.48 -0.11 0.00 -0.05 0.00 0.00 63.50 60.81 3kvr n PRO 164 Cb 0.52 -2.93 -0.13 0.00 -0.05 0.00 0.00 33.50 30.91 3kvr n PRO 164 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 175.50 174.24 3kvr s GLU 165 N 2.08 0.11 -0.15 0.54 2.02 -1.26 -1.67 118.70 120.36 3kvr s GLU 165 Ca 0.61 -0.14 0.01 0.00 0.02 0.00 0.00 54.97 55.47 3kvr s GLU 165 Cb 0.17 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.44 3kvr s GLU 165 CO -0.07 -0.02 -0.18 0.12 0.02 0.00 0.00 175.26 175.14 3kvr s PHE 166 N -0.40 2.75 -0.23 1.61 2.19 -0.21 -4.41 117.98 119.28 3kvr s PHE 166 Ca -0.04 -1.20 -0.12 0.00 0.33 0.00 0.00 56.93 55.90 3kvr s PHE 166 Cb -0.03 -1.88 -0.05 0.00 -1.31 0.00 0.00 43.02 39.76 3kvr s PHE 166 CO -0.00 -0.56 0.22 -2.00 1.83 0.00 0.00 175.22 174.71 3kvr s GLU 167 N 0.89 4.11 0.04 10.12 2.12 -1.26 -1.42 118.70 133.29 3kvr s GLU 167 Ca -0.04 -0.14 0.06 0.00 0.36 0.00 0.00 54.97 55.21 3kvr s GLU 167 Cb -0.15 -3.53 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 3kvr s GLU 167 CO -0.02 0.05 -0.18 -1.14 -0.54 0.00 0.00 175.26 173.43 3kvr s GLN 168 N 1.08 1.25 -0.23 4.30 0.74 0.18 -4.96 119.66 122.02 3kvr s GLN 168 Ca 0.11 -0.85 -0.10 0.00 0.05 0.00 0.00 55.36 54.57 3kvr s GLN 168 Cb -0.14 -1.32 -0.05 0.00 1.10 0.00 0.00 33.01 32.61 3kvr s GLN 168 CO 0.05 0.34 0.13 0.42 -0.55 0.00 0.00 175.29 175.68 3kvr s ILE 169 N -0.77 5.19 -0.07 -2.34 1.01 -1.26 0.22 121.20 123.18 3kvr s ILE 169 Ca 0.06 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.84 3kvr s ILE 169 Cb -0.08 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 39.01 3kvr s ILE 169 CO 0.01 0.38 -0.09 -0.69 0.00 0.00 0.00 174.94 174.56 3kvr s VAL 170 N 0.89 0.90 -1.50 2.92 1.01 0.11 -4.70 120.40 120.04 3kvr s VAL 170 Ca 0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 3kvr s VAL 170 Cb -0.13 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3kvr s VAL 170 CO 0.03 0.31 0.11 0.18 0.00 0.00 0.00 175.10 175.73 3kvr n LEU 171 N 4.14 -1.08 0.00 3.92 4.77 -1.26 0.50 117.00 127.99 3kvr n LEU 171 Ca -0.21 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 3kvr n LEU 171 Cb 0.51 -1.68 0.00 0.00 -2.33 0.00 0.00 43.42 39.92 3kvr n LEU 171 CO 0.23 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 3kvr n GLY 172 N -2.47 2.04 3.61 -0.72 0.00 -1.26 -4.99 105.19 101.39 3kvr n GLY 172 Ca -0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 3kvr n GLY 172 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kvr s LYS 173 N 0.00 2.34 0.06 1.61 -2.85 0.18 -5.05 119.74 116.03 3kvr s LYS 173 Ca 0.00 -0.90 -0.25 0.00 -1.00 0.00 0.00 55.97 53.82 3kvr s LYS 173 Cb 0.00 -2.41 -0.06 0.00 -2.06 0.00 0.00 37.83 33.30 3kvr s LYS 173 CO 0.00 0.54 0.77 0.50 0.10 0.00 0.00 175.35 177.26 3kvr s ARG 174 N -2.02 4.50 0.06 1.78 3.52 -1.26 0.09 118.95 125.62 3kvr s ARG 174 Ca 0.21 1.08 0.01 0.00 -0.13 0.00 0.00 55.73 56.90 3kvr s ARG 174 Cb -0.11 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 3kvr s ARG 174 CO 0.13 0.33 -0.05 -1.21 -0.81 0.00 0.00 175.30 173.69 3kvr s GLU 175 N -0.23 0.65 0.01 5.12 2.02 0.13 -4.95 118.70 121.46 3kvr s GLU 175 Ca 0.38 -1.10 0.04 0.00 0.02 0.00 0.00 54.97 54.30 3kvr s GLU 175 Cb -0.21 -0.07 -0.01 0.00 0.10 0.00 0.00 34.13 33.94 3kvr s GLU 175 CO 0.23 -0.03 -0.11 0.14 0.02 0.00 0.00 175.26 175.51 3kvr s VAL 176 N -3.01 0.88 0.08 2.63 -7.23 -1.26 0.47 120.40 112.97 3kvr s VAL 176 Ca 0.03 -0.69 0.08 0.00 -1.81 0.00 0.00 61.98 59.59 3kvr s VAL 176 Cb 0.01 -0.78 -0.03 0.00 0.56 0.00 0.00 36.38 36.14 3kvr s VAL 176 CO -0.05 0.10 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.51 3kvr s ARG 177 N -0.67 1.15 0.49 4.82 0.52 -0.51 -4.93 118.95 119.82 3kvr s ARG 177 Ca 0.02 -1.08 -0.21 0.00 -0.52 0.00 0.00 55.73 53.94 3kvr s ARG 177 Cb -0.06 -1.35 -0.08 0.00 0.52 0.00 0.00 34.95 33.98 3kvr s ARG 177 CO 0.00 0.32 1.07 1.21 0.02 0.00 0.00 175.30 177.93 3kvr s ASN 178 N -1.71 6.21 -0.26 0.23 2.47 -1.26 -1.04 114.94 119.58 3kvr s ASN 178 Ca 0.06 2.04 0.09 0.00 0.42 0.00 0.00 52.86 55.46 3kvr s ASN 178 Cb -0.10 -2.57 0.44 0.00 -1.45 0.00 0.00 41.25 37.57 3kvr s ASN 178 CO 0.03 -0.87 1.21 0.35 -3.72 0.00 0.00 177.10 174.10 3kvr n THR 179 N -0.91 2.40 -2.38 -5.21 -2.24 -0.67 -4.21 114.28 101.06 3kvr n THR 179 Ca 0.09 -3.75 -0.38 0.00 -2.27 0.00 0.00 64.05 57.74 3kvr n THR 179 Cb 0.51 -0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 67.99 3kvr n THR 179 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kvr s ASP 180 N -3.41 6.66 0.20 3.42 1.01 -1.26 -2.05 116.67 121.24 3kvr s ASP 180 Ca 0.45 2.26 0.05 0.00 0.71 0.00 0.00 52.55 56.02 3kvr s ASP 180 Cb 0.39 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 3kvr s ASP 180 CO -0.01 -0.57 0.23 -0.76 0.21 0.00 0.00 175.17 174.27 3kvr s LEU 181 N -2.43 4.04 0.02 1.23 1.43 -0.84 -4.90 118.68 117.22 3kvr s LEU 181 Ca 0.56 -0.05 -0.32 0.00 -1.03 0.00 0.00 54.13 53.29 3kvr s LEU 181 Cb -0.28 -2.60 -0.10 0.00 0.03 0.00 0.00 46.19 43.23 3kvr s LEU 181 CO 0.36 0.00 1.90 -0.67 0.23 0.00 0.00 176.35 178.18 3kvr n ASP 182 N -0.86 3.87 0.10 2.29 -0.08 -1.26 -4.89 116.55 115.71 3kvr n ASP 182 Ca -0.08 0.95 -0.02 0.00 -1.51 0.00 0.00 54.79 54.12 3kvr n ASP 182 Cb 0.56 -1.47 0.21 0.00 2.34 0.00 0.00 41.12 42.75 3kvr n ASP 182 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3kvr h GLU 183 N 9.57 0.22 0.01 -0.67 4.57 -1.96 -2.44 114.58 123.88 3kvr h GLU 183 Ca -0.49 -0.11 -0.20 0.00 -1.18 0.00 0.00 59.36 57.38 3kvr h GLU 183 Cb 1.25 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 3kvr h GLU 183 CO 0.94 0.63 -0.89 1.96 -1.18 0.00 0.00 179.01 180.47 3kvr h GLN 184 N 0.18 0.22 -0.57 1.92 7.50 -2.00 -2.84 115.11 119.52 3kvr h GLN 184 Ca 0.01 -0.24 -0.08 0.00 0.50 0.00 0.00 58.65 58.84 3kvr h GLN 184 Cb 0.87 0.07 -0.02 0.00 0.05 0.00 0.00 27.48 28.45 3kvr h GLN 184 CO 0.07 0.97 0.05 1.25 -1.50 0.00 0.00 178.83 179.67 3kvr h LEU 185 N 0.12 0.94 -0.79 1.46 6.46 -1.90 -1.91 115.31 119.69 3kvr h LEU 185 Ca -0.05 -0.28 -0.11 0.00 -0.12 0.00 0.00 57.88 57.31 3kvr h LEU 185 Cb 1.52 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 3kvr h LEU 185 CO 0.14 0.99 -0.31 -0.37 -0.62 0.00 0.00 178.44 178.27 3kvr h VAL 186 N 0.86 1.28 -0.20 1.05 -1.51 -1.29 -1.66 116.25 114.78 3kvr h VAL 186 Ca 0.17 -1.41 -0.13 0.00 -1.23 0.00 0.00 66.70 64.10 3kvr h VAL 186 Cb 0.48 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 3kvr h VAL 186 CO 0.02 0.45 -0.41 -0.61 -1.23 0.00 0.00 177.57 175.78 3kvr h GLN 187 N 0.48 0.48 -0.26 5.19 5.75 -1.48 -1.59 115.11 123.68 3kvr h GLN 187 Ca 0.06 -0.24 -0.06 0.00 -0.15 0.00 0.00 58.65 58.25 3kvr h GLN 187 Cb 0.78 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.31 3kvr h GLN 187 CO 0.06 0.81 -0.12 1.49 -2.65 0.00 0.00 178.83 178.43 3kvr h GLU 188 N 0.39 0.43 0.01 1.69 4.81 -0.84 -1.26 114.58 119.82 3kvr h GLU 188 Ca 0.03 -0.12 -0.21 0.00 -0.13 0.00 0.00 59.36 58.93 3kvr h GLU 188 Cb 0.90 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 3kvr h GLU 188 CO 0.08 0.55 -1.01 -0.07 -0.73 0.00 0.00 179.01 177.83 3kvr h LEU 189 N 0.40 0.05 -0.51 1.64 -0.00 -1.10 -1.89 115.31 113.90 3kvr h LEU 189 Ca 0.08 -0.05 0.02 0.00 -0.00 0.00 0.00 57.88 57.93 3kvr h LEU 189 Cb 0.45 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.06 3kvr h LEU 189 CO 0.03 1.02 0.30 0.00 -0.00 0.00 0.00 178.44 179.79 3kvr h ALA 190 N 0.97 0.65 -0.87 1.53 0.00 -0.90 -1.55 119.26 119.10 3kvr h ALA 190 Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3kvr h ALA 190 Cb 1.76 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.35 3kvr h ALA 190 CO 0.14 0.01 0.56 0.00 0.00 0.00 0.00 179.25 179.95 3kvr h ARG 191 N 0.61 1.04 -0.70 0.00 3.08 -1.02 -0.71 114.38 116.68 3kvr h ARG 191 Ca 0.21 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 3kvr h ARG 191 Cb 0.02 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 3kvr h ARG 191 CO -0.09 0.69 0.44 0.00 -1.07 0.00 0.00 179.97 179.93 3kvr h SER 193 N 0.95 0.66 -0.89 0.00 0.87 -0.70 -0.60 113.55 113.85 3kvr h SER 193 Ca 0.25 -0.34 0.09 0.00 -1.23 0.00 0.00 61.79 60.56 3kvr h SER 193 Cb -0.06 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 61.66 3kvr h SER 193 CO -0.05 0.85 0.58 0.00 -0.53 0.00 0.00 176.83 177.67 3kvr h ALA 194 N 0.84 1.61 0.00 6.23 0.00 -0.86 0.05 119.26 127.14 3kvr h ALA 194 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3kvr h ALA 194 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kvr h ALA 194 CO 0.03 0.22 -0.30 0.93 0.00 0.00 0.00 179.25 180.12 3kvr h GLU 195 N 0.91 0.00 0.04 0.00 5.08 0.51 -2.74 114.58 118.38 3kvr h GLU 195 Ca 0.41 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.52 3kvr h GLU 195 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 3kvr h GLU 195 CO -0.17 0.30 -1.04 -0.07 -1.00 0.00 0.00 179.01 177.03 3kvr h LEU 196 N 0.00 0.57 -2.39 1.33 3.38 -0.18 -3.48 115.31 114.53 3kvr h LEU 196 Ca -0.00 -0.49 -0.50 0.00 0.09 0.00 0.00 57.88 56.97 3kvr h LEU 196 Cb 0.54 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3kvr h LEU 196 CO 0.04 1.31 -0.92 0.61 0.09 0.00 0.00 178.44 179.57 3kvr n GLY 197 N 1.12 -0.43 0.00 0.83 0.00 -0.15 -4.91 105.19 101.65 3kvr n GLY 197 Ca -0.08 0.23 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 3kvr n GLY 197 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kvr n GLU 198 N -4.43 2.56 -3.61 1.61 1.02 -1.26 -5.07 120.64 111.45 3kvr n GLU 198 Ca -0.25 -0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.75 3kvr n GLU 198 Cb 0.66 -1.03 -0.06 0.00 -0.02 0.00 0.00 31.44 30.99 3kvr n GLU 198 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3kvr s PHE 199 N -2.04 -0.37 0.46 -0.32 -0.71 -1.26 -5.13 117.98 108.61 3kvr s PHE 199 Ca -0.00 0.41 -0.24 0.00 -1.04 0.00 0.00 56.93 56.06 3kvr s PHE 199 Cb 0.00 0.29 -0.07 0.00 -1.21 0.00 0.00 43.02 42.03 3kvr s PHE 199 CO 0.04 -0.60 1.31 -2.14 -1.34 0.00 0.00 175.22 172.49 3kvr s PRO 200 N -2.32 3.67 -0.09 1.99 0.02 -1.26 -4.90 135.00 132.11 3kvr s PRO 200 Ca -0.06 2.14 -0.03 0.00 0.02 0.00 0.00 61.00 63.07 3kvr s PRO 200 Cb -0.01 -2.54 0.05 0.00 0.02 0.00 0.00 34.50 32.02 3kvr s PRO 200 CO -0.01 -0.74 0.17 0.99 -0.33 0.00 0.00 177.00 177.09 3kvr s THR 201 N -1.32 -0.22 0.19 0.99 2.01 -1.26 -1.46 115.64 114.58 3kvr s THR 201 Ca 0.63 0.30 0.09 0.00 0.31 0.00 0.00 61.69 63.02 3kvr s THR 201 Cb -0.38 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 3kvr s THR 201 CO 0.47 0.13 -0.19 0.68 -0.69 0.00 0.00 174.62 175.02 3kvr s VAL 202 N 2.02 1.99 -0.18 3.82 -7.23 0.00 -4.99 120.40 115.83 3kvr s VAL 202 Ca -0.00 -2.06 -0.06 0.00 -1.81 0.00 0.00 61.98 58.05 3kvr s VAL 202 Cb -0.12 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 3kvr s VAL 202 CO -0.06 -0.34 0.03 0.54 -0.31 0.00 0.00 175.10 174.96 3kvr s VAL 203 N -2.20 4.42 0.04 1.32 0.11 -1.26 -0.52 120.40 122.30 3kvr s VAL 203 Ca 0.20 -0.16 -0.02 0.00 -2.93 0.00 0.00 61.98 59.06 3kvr s VAL 203 Cb -0.05 -2.99 0.01 0.00 -1.53 0.00 0.00 36.38 31.82 3kvr s VAL 203 CO 0.08 0.45 0.11 0.61 -3.33 0.00 0.00 175.10 173.03 3kvr n GLY 204 N 3.75 1.58 3.93 6.54 0.00 -1.17 -4.95 105.19 114.87 3kvr n GLY 204 Ca -0.17 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 3kvr n GLY 204 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kvr s ASN 205 N -1.27 6.37 -0.13 1.61 0.01 -0.33 -0.39 114.94 120.80 3kvr s ASN 205 Ca 0.02 0.50 0.01 0.00 -0.71 0.00 0.00 52.86 52.68 3kvr s ASN 205 Cb -0.00 -2.05 0.02 0.00 0.41 0.00 0.00 41.25 39.62 3kvr s ASN 205 CO 0.01 -0.18 -0.13 -0.89 -1.51 0.00 0.00 177.10 174.40 3kvr s THR 206 N -2.10 1.41 0.08 1.60 2.01 -0.96 0.44 115.64 118.12 3kvr s THR 206 Ca 0.40 -0.55 -0.25 0.00 0.31 0.00 0.00 61.69 61.60 3kvr s THR 206 Cb -0.10 -1.33 -0.06 0.00 0.01 0.00 0.00 72.50 71.01 3kvr s THR 206 CO 0.32 0.43 0.78 -0.32 -0.69 0.00 0.00 174.62 175.14 3kvr s MET 207 N 1.35 4.53 -0.14 4.92 1.75 -0.65 -0.01 119.30 131.05 3kvr s MET 207 Ca 0.01 1.11 0.02 0.00 -1.25 0.00 0.00 55.69 55.58 3kvr s MET 207 Cb -0.13 -3.34 0.01 0.00 2.84 0.00 0.00 34.83 34.21 3kvr s MET 207 CO -0.07 0.35 -0.19 0.00 -0.65 0.00 0.00 175.02 174.46 3kvr s THR 209 N 0.99 2.11 -2.22 0.00 -4.23 0.57 -4.26 115.64 108.59 3kvr s THR 209 Ca -0.04 -2.31 0.19 0.00 -1.18 0.00 0.00 61.69 58.36 3kvr s THR 209 Cb -0.15 -2.19 0.44 0.00 1.34 0.00 0.00 72.50 71.95 3kvr s THR 209 CO -0.04 -0.49 1.52 0.18 -0.54 0.00 0.00 174.62 175.25 3kvr n LEU 210 N -0.51 1.54 -3.66 4.79 4.77 -1.26 -4.44 117.00 118.23 3kvr n LEU 210 Ca -0.06 -0.66 -0.09 0.00 -0.03 0.00 0.00 56.01 55.17 3kvr n LEU 210 Cb 0.60 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 3kvr n LEU 210 CO 0.37 0.33 0.23 -0.62 -1.33 0.00 0.00 177.39 176.37 3kvr s ASP 211 N -1.50 -0.76 0.50 -1.43 2.15 -1.26 -5.00 116.67 109.37 3kvr s ASP 211 Ca 0.31 1.25 0.29 0.00 0.43 0.00 0.00 52.55 54.83 3kvr s ASP 211 Cb 0.16 1.13 1.20 0.00 -0.30 0.00 0.00 42.92 45.12 3kvr s ASP 211 CO 0.24 -0.22 1.93 0.15 -0.17 0.00 0.00 175.17 177.11 3kvr h PHE 212 N 6.94 0.00 0.00 -5.34 3.04 -1.92 -3.02 116.94 116.64 3kvr h PHE 212 Ca -0.33 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.62 3kvr h PHE 212 Cb 1.21 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.72 3kvr h PHE 212 CO 0.15 0.10 0.00 0.66 -2.02 0.00 0.00 178.31 177.20 3kvr n TYR 213 N -3.26 0.00 0.19 0.41 4.02 -1.26 -4.12 117.16 113.13 3kvr n TYR 213 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 3kvr n TYR 213 Cb 0.35 0.00 0.49 0.00 -0.02 0.00 0.00 39.34 40.16 3kvr n TYR 213 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 3kvr h GLU 214 N 0.00 0.10 0.00 -0.72 5.08 -1.83 0.22 114.58 117.44 3kvr h GLU 214 Ca 0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3kvr h GLU 214 Cb 0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3kvr h GLU 214 CO 0.00 0.22 -0.03 0.78 -1.00 0.00 0.00 179.01 178.98 3kvr h GLY 215 N 0.51 0.00 -0.48 -3.84 0.00 -1.79 -2.82 103.07 94.65 3kvr h GLY 215 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3kvr h GLY 215 CO 0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.50 3kvr n GLN 216 N -3.18 1.88 -1.40 4.80 6.02 -1.08 -4.83 117.38 119.60 3kvr n GLN 216 Ca -0.01 -2.58 -0.10 0.00 -0.01 0.00 0.00 57.00 54.30 3kvr n GLN 216 Cb 0.22 -1.56 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 3kvr n GLN 216 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kvr n GLY 217 N -1.07 1.01 3.74 1.08 0.00 -1.06 -4.99 105.19 103.89 3kvr n GLY 217 Ca 0.16 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 3kvr n GLY 217 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kvr s ARG 218 N -3.06 1.92 0.00 1.61 0.52 0.76 -4.77 118.95 115.93 3kvr s ARG 218 Ca 0.00 1.25 0.06 0.00 -0.52 0.00 0.00 55.73 56.51 3kvr s ARG 218 Cb 0.00 -1.85 0.07 0.00 0.52 0.00 0.00 34.95 33.68 3kvr s ARG 218 CO 0.00 -1.91 0.76 1.28 0.02 0.00 0.00 175.30 175.46 3kvr n LEU 219 N -3.71 1.66 -0.80 2.53 4.77 -1.26 -4.56 117.00 115.63 3kvr n LEU 219 Ca 0.10 -1.18 0.04 0.00 -0.03 0.00 0.00 56.01 54.93 3kvr n LEU 219 Cb 0.53 -0.02 0.21 0.00 -2.33 0.00 0.00 43.42 41.80 3kvr n LEU 219 CO 0.53 0.37 0.64 -0.90 -1.33 0.00 0.00 177.39 176.69 3kvr n ASP 220 N 0.27 2.80 -2.43 -1.43 3.85 -1.26 -4.96 116.55 113.40 3kvr n ASP 220 Ca 0.04 -3.42 -0.05 0.00 -0.71 0.00 0.00 54.79 50.64 3kvr n ASP 220 Cb 0.18 -0.56 0.03 0.00 -1.35 0.00 0.00 41.12 39.43 3kvr n ASP 220 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kvr n GLY 221 N -0.99 -0.48 0.19 6.12 0.00 -1.26 -4.97 105.19 103.79 3kvr n GLY 221 Ca 0.25 -1.79 0.13 0.00 0.00 0.00 0.00 46.02 44.61 3kvr n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kvr h ALA 222 N -1.41 1.00 -3.80 4.61 0.00 -2.00 -3.43 119.26 114.22 3kvr h ALA 222 Ca -0.08 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.25 3kvr h ALA 222 Cb 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.71 3kvr h ALA 222 CO 0.06 0.00 -0.84 -0.51 0.00 0.00 0.00 179.25 177.96 3kvr s LEU 223 N -5.64 1.92 -0.30 0.00 1.02 -1.26 -5.12 118.68 109.29 3kvr s LEU 223 Ca 0.07 -0.38 -0.14 0.00 0.02 0.00 0.00 54.13 53.71 3kvr s LEU 223 Cb 0.08 -1.04 0.18 0.00 0.02 0.00 0.00 46.19 45.43 3kvr s LEU 223 CO 0.62 0.15 1.03 0.00 0.02 0.00 0.00 176.35 178.17 3kvr n SER 225 N 5.22 2.51 -4.18 0.00 3.41 -1.26 -5.02 113.62 114.30 3kvr n SER 225 Ca -0.07 -3.46 -0.25 0.00 -0.26 0.00 0.00 58.87 54.83 3kvr n SER 225 Cb 0.53 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3kvr n SER 225 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kvr n TYR 226 N -1.10 0.57 -4.15 7.33 4.11 -1.26 -5.15 117.16 117.51 3kvr n TYR 226 Ca 0.22 -1.98 -0.25 0.00 -0.00 0.00 0.00 57.90 55.89 3kvr n TYR 226 Cb 0.80 -0.29 -0.07 0.00 -0.00 0.00 0.00 39.34 39.78 3kvr n TYR 226 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 3kvr s THR 227 N -2.41 2.39 0.39 -3.48 -4.23 -1.26 -5.00 115.64 102.05 3kvr s THR 227 Ca 0.05 -1.72 0.12 0.00 -1.18 0.00 0.00 61.69 58.96 3kvr s THR 227 Cb -0.00 -2.98 0.33 0.00 1.34 0.00 0.00 72.50 71.19 3kvr s THR 227 CO 0.03 -0.03 1.91 -0.08 -0.54 0.00 0.00 174.62 175.91 3kvr h GLU 228 N 1.47 0.54 -0.44 3.99 4.57 -1.99 -0.82 114.58 121.89 3kvr h GLU 228 Ca -0.43 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 57.58 3kvr h GLU 228 Cb 1.25 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 3kvr h GLU 228 CO 0.69 0.36 -0.27 -0.22 -1.18 0.00 0.00 179.01 178.39 3kvr h LYS 229 N 0.56 0.94 -0.62 1.92 3.64 -2.00 -1.57 116.57 119.45 3kvr h LYS 229 Ca 0.38 -0.43 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 3kvr h LYS 229 Cb 0.70 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 3kvr h LYS 229 CO -0.14 1.09 0.09 -0.44 -2.27 0.00 0.00 179.45 177.78 3kvr h ASP 230 N 0.80 0.97 -0.43 4.20 3.32 -1.56 -1.23 116.42 122.49 3kvr h ASP 230 Ca 0.09 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 56.94 3kvr h ASP 230 Cb 0.85 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 3kvr h ASP 230 CO 0.07 0.97 0.24 0.50 -1.72 0.00 0.00 179.24 179.31 3kvr h LYS 231 N 0.95 0.47 -0.17 3.56 3.64 -1.02 -1.88 116.57 122.12 3kvr h LYS 231 Ca 0.19 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3kvr h LYS 231 Cb 0.43 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3kvr h LYS 231 CO 0.01 0.31 0.02 1.96 -2.27 0.00 0.00 179.45 179.49 3kvr h GLN 232 N 0.49 0.29 -0.77 1.90 1.08 -0.97 0.91 115.11 118.04 3kvr h GLN 232 Ca 0.18 -0.08 0.07 0.00 -1.45 0.00 0.00 58.65 57.37 3kvr h GLN 232 Cb 0.04 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.38 3kvr h GLN 232 CO -0.10 0.47 0.45 -0.44 -0.95 0.00 0.00 178.83 178.26 3kvr h ASP 233 N 0.07 0.67 -0.15 1.46 3.32 -1.14 0.48 116.42 121.13 3kvr h ASP 233 Ca 0.05 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3kvr h ASP 233 Cb 0.33 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3kvr h ASP 233 CO 0.00 0.41 -0.02 0.22 -1.72 0.00 0.00 179.24 178.14 3kvr h TYR 234 N 0.80 0.31 -0.60 4.55 3.20 -1.01 -1.01 116.97 123.21 3kvr h TYR 234 Ca 0.35 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 62.07 3kvr h TYR 234 Cb 0.24 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3kvr h TYR 234 CO -0.06 0.53 0.01 -0.07 -1.64 0.00 0.00 178.16 176.93 3kvr h LEU 235 N -0.01 1.02 -1.62 2.82 3.38 -0.35 -0.95 115.31 119.60 3kvr h LEU 235 Ca 0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3kvr h LEU 235 Cb 0.42 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3kvr h LEU 235 CO 0.01 1.07 -0.20 0.03 0.09 0.00 0.00 178.44 179.43 3kvr h ARG 236 N 0.96 0.00 -0.04 1.13 3.08 0.02 0.12 114.38 119.66 3kvr h ARG 236 Ca 0.17 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.02 3kvr h ARG 236 Cb 0.54 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3kvr h ARG 236 CO 0.03 0.20 -0.82 0.00 -1.07 0.00 0.00 179.97 178.31 3kvr h ALA 237 N 1.80 0.51 -0.37 0.04 0.00 -0.42 0.58 119.26 121.38 3kvr h ALA 237 Ca -0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 3kvr h ALA 237 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3kvr h ALA 237 CO 0.03 0.80 0.16 0.00 0.00 0.00 0.00 179.25 180.24 3kvr h ALA 238 N 0.88 0.49 -0.60 0.00 0.00 -0.45 -0.48 119.26 119.10 3kvr h ALA 238 Ca -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kvr h ALA 238 Cb 1.43 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3kvr h ALA 238 CO 0.14 0.08 0.31 -0.92 0.00 0.00 0.00 179.25 178.86 3kvr h TYR 239 N 0.46 0.84 -0.08 0.00 3.20 -0.48 0.11 116.97 121.03 3kvr h TYR 239 Ca 0.13 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.99 3kvr h TYR 239 Cb 0.17 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 3kvr h TYR 239 CO -0.00 0.62 0.10 0.00 -1.64 0.00 0.00 178.16 177.23 3kvr h ALA 240 N 1.14 1.59 -0.54 1.82 0.00 -0.48 -0.43 119.26 122.36 3kvr h ALA 240 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kvr h ALA 240 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kvr h ALA 240 CO -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.08 3kvr n ALA 241 N -2.29 3.48 -0.11 0.00 0.00 0.30 -4.90 120.51 116.99 3kvr n ALA 241 Ca -0.01 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.83 3kvr n ALA 241 Cb 0.19 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3kvr n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kvr n GLY 242 N 0.75 0.61 3.74 0.00 0.00 -0.17 -4.96 105.19 105.16 3kvr n GLY 242 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 3kvr n GLY 242 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kvr s ILE 243 N -2.31 4.02 0.00 -0.61 1.01 -0.65 -1.19 121.20 121.47 3kvr s ILE 243 Ca 0.00 1.78 0.00 0.00 0.00 0.00 0.00 60.65 62.43 3kvr s ILE 243 Cb 0.00 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3kvr s ILE 243 CO 0.00 0.33 0.00 0.54 0.00 0.00 0.00 174.94 175.81 3kvr n ARG 244 N 2.24 3.44 -3.90 2.79 5.12 0.17 -4.22 116.66 122.30 3kvr n ARG 244 Ca 0.02 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.84 3kvr n ARG 244 Cb 0.47 -0.73 -0.06 0.00 -1.16 0.00 0.00 32.46 30.97 3kvr n ARG 244 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kvr s ASN 245 N -1.45 -0.02 -0.05 0.55 4.22 -1.19 -0.67 114.94 116.32 3kvr s ASN 245 Ca 0.00 -0.76 0.03 0.00 -2.14 0.00 0.00 52.86 49.99 3kvr s ASN 245 Cb 0.00 0.46 0.01 0.00 1.28 0.00 0.00 41.25 43.00 3kvr s ASN 245 CO 0.00 -0.92 -0.13 -0.63 -2.04 0.00 0.00 177.10 173.39 3kvr s ILE 246 N -3.94 1.14 0.00 0.54 1.01 0.14 -1.64 121.20 118.45 3kvr s ILE 246 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3kvr s ILE 246 Cb 0.02 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.47 3kvr s ILE 246 CO -0.02 0.35 0.00 -1.84 0.00 0.00 0.00 174.94 173.43 3kvr n GLU 247 N 3.55 0.00 -0.10 2.79 -0.00 0.22 -2.07 120.64 125.03 3kvr n GLU 247 Ca -0.21 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 56.96 3kvr n GLU 247 Cb 0.52 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.98 3kvr n GLU 247 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3kvr n MET 248 N 0.00 1.00 0.00 3.44 2.81 -1.26 -0.32 117.12 122.79 3kvr n MET 248 Ca 0.00 -1.13 0.00 0.00 -1.81 0.00 0.00 57.70 54.76 3kvr n MET 248 Cb 0.00 -0.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 3kvr n MET 248 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3kvr n GLU 249 N -0.32 3.12 -0.34 0.03 4.71 -1.26 -2.16 120.64 124.42 3kvr n GLU 249 Ca 0.02 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.21 3kvr n GLU 249 Cb 0.48 -0.74 0.21 0.00 -1.01 0.00 0.00 31.44 30.39 3kvr n GLU 249 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kvr h ALA 250 N 0.00 1.47 -0.09 0.62 0.00 -1.92 -3.02 119.26 116.31 3kvr h ALA 250 Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 3kvr h ALA 250 Cb 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3kvr h ALA 250 CO 0.00 0.37 -0.72 0.66 0.00 0.00 0.00 179.25 179.56 3kvr h SER 251 N 1.09 0.53 0.10 0.00 4.64 -1.91 -0.36 113.55 117.65 3kvr h SER 251 Ca 0.43 -0.35 -0.22 0.00 -0.47 0.00 0.00 61.79 61.18 3kvr h SER 251 Cb 0.24 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3kvr h SER 251 CO -0.18 1.09 -0.84 0.58 -0.87 0.00 0.00 176.83 176.61 3kvr h VAL 252 N 0.31 1.33 -0.31 0.95 2.07 -1.91 -1.20 116.25 117.49 3kvr h VAL 252 Ca -0.03 -2.16 0.06 0.00 0.82 0.00 0.00 66.70 65.39 3kvr h VAL 252 Cb 1.30 2.17 -0.06 0.00 -1.52 0.00 0.00 31.29 33.18 3kvr h VAL 252 CO 0.13 0.66 -0.06 0.15 0.02 0.00 0.00 177.57 178.47 3kvr h PHE 253 N 0.37 -0.12 -0.10 1.57 3.57 -1.43 0.80 116.94 121.60 3kvr h PHE 253 Ca -0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 3kvr h PHE 253 Cb 1.45 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 40.29 3kvr h PHE 253 CO 0.07 -0.11 0.05 0.00 -2.23 0.00 0.00 178.31 176.09 3kvr h ALA 254 N 1.30 0.13 -0.56 2.41 0.00 -0.93 -1.65 119.26 119.96 3kvr h ALA 254 Ca 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kvr h ALA 254 Cb 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3kvr h ALA 254 CO -0.30 -0.32 0.29 0.00 0.00 0.00 0.00 179.25 178.92 3kvr h ALA 255 N 0.93 1.46 0.02 0.00 0.00 -0.65 0.72 119.26 121.75 3kvr h ALA 255 Ca 0.03 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 3kvr h ALA 255 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3kvr h ALA 255 CO -0.00 0.44 -0.96 0.52 0.00 0.00 0.00 179.25 179.25 3kvr h MET 256 N 0.78 0.12 -0.29 0.00 2.07 0.10 -1.63 114.93 116.09 3kvr h MET 256 Ca 0.20 -0.16 -0.14 0.00 -2.07 0.00 0.00 59.70 57.52 3kvr h MET 256 Cb 0.04 0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 29.82 3kvr h MET 256 CO -0.03 0.98 -0.38 0.00 1.07 0.00 0.00 176.91 178.55 3kvr h ASN 258 N 0.52 0.55 0.02 0.00 -0.26 -0.74 0.24 115.58 115.90 3kvr h ASN 258 Ca 0.03 -0.07 -0.12 0.00 -0.56 0.00 0.00 56.30 55.58 3kvr h ASN 258 Cb 0.97 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 38.08 3kvr h ASN 258 CO 0.09 0.52 -0.39 0.00 -1.06 0.00 0.00 177.43 176.59 3kvr h ALA 259 N 1.56 0.93 -0.07 -0.83 0.00 -0.99 -2.95 119.26 116.90 3kvr h ALA 259 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3kvr h ALA 259 Cb 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kvr h ALA 259 CO -0.01 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3kvr n GLY 261 N 1.33 0.10 3.86 0.00 0.00 -0.11 -4.46 105.19 105.91 3kvr n GLY 261 Ca 0.16 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 3kvr n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kvr s LEU 262 N -3.93 4.09 -0.23 0.99 1.43 0.65 -5.01 118.68 116.67 3kvr s LEU 262 Ca 0.21 0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 53.24 3kvr s LEU 262 Cb -0.09 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.38 3kvr s LEU 262 CO 0.26 0.12 0.40 -0.13 0.23 0.00 0.00 176.35 177.23 3kvr s ARG 263 N -2.78 4.10 -0.02 1.70 0.52 -1.26 -4.44 118.95 116.78 3kvr s ARG 263 Ca 0.33 0.14 -0.05 0.00 -0.52 0.00 0.00 55.73 55.63 3kvr s ARG 263 Cb -0.12 -3.59 0.00 0.00 0.52 0.00 0.00 34.95 31.76 3kvr s ARG 263 CO 0.26 -0.16 0.11 0.00 0.02 0.00 0.00 175.30 175.52 3kvr s ALA 264 N 1.70 -0.25 0.12 2.13 0.00 -1.25 -0.99 121.76 123.22 3kvr s ALA 264 Ca 0.17 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.17 3kvr s ALA 264 Cb -0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 3kvr s ALA 264 CO 0.09 -0.14 -0.08 0.00 0.00 0.00 0.00 175.76 175.63 3kvr s ALA 265 N -0.77 1.20 -0.10 0.00 0.00 0.90 -4.09 121.76 118.91 3kvr s ALA 265 Ca -0.09 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 50.49 3kvr s ALA 265 Cb -0.05 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.20 3kvr s ALA 265 CO 0.01 -0.18 -0.24 0.08 0.00 0.00 0.00 175.76 175.43 3kvr s VAL 266 N -3.50 2.02 -0.16 0.00 1.01 -1.26 -1.14 120.40 117.37 3kvr s VAL 266 Ca 0.14 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 3kvr s VAL 266 Cb 0.04 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.73 3kvr s VAL 266 CO -0.02 0.55 0.05 -0.69 0.00 0.00 0.00 175.10 174.99 3kvr s VAL 267 N 0.33 0.26 0.00 2.92 1.01 -0.52 -1.13 120.40 123.28 3kvr s VAL 267 Ca -0.18 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.57 3kvr s VAL 267 Cb -0.18 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 3kvr s VAL 267 CO 0.09 -0.14 -0.12 0.00 0.00 0.00 0.00 175.10 174.93 3kvr s VAL 269 N -0.45 4.68 -0.17 0.00 0.11 -0.63 -1.10 120.40 122.83 3kvr s VAL 269 Ca 0.03 0.88 -0.10 0.00 -2.93 0.00 0.00 61.98 59.86 3kvr s VAL 269 Cb -0.05 -3.73 -0.05 0.00 -1.53 0.00 0.00 36.38 31.02 3kvr s VAL 269 CO 0.00 -0.61 0.16 0.42 -3.33 0.00 0.00 175.10 171.74 3kvr s THR 270 N -2.51 5.40 -0.59 5.04 -4.23 0.72 -0.72 115.64 118.76 3kvr s THR 270 Ca 0.55 0.27 0.24 0.00 -1.18 0.00 0.00 61.69 61.56 3kvr s THR 270 Cb -0.10 -3.49 0.01 0.00 1.34 0.00 0.00 72.50 70.26 3kvr s THR 270 CO 0.32 0.47 1.23 -0.07 -0.54 0.00 0.00 174.62 176.03 3kvr h LEU 271 N 6.27 0.00 -7.25 4.79 3.38 -1.13 0.26 115.31 121.63 3kvr h LEU 271 Ca -0.44 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 57.40 3kvr h LEU 271 Cb 1.17 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.80 3kvr h LEU 271 CO 0.72 0.11 0.41 -1.48 0.09 0.00 0.00 178.44 178.30 3kvr s LEU 272 N -4.27 -0.35 -0.38 1.67 2.34 -1.26 -4.76 118.68 111.66 3kvr s LEU 272 Ca 0.05 -0.15 -0.18 0.00 0.06 0.00 0.00 54.13 53.90 3kvr s LEU 272 Cb 0.13 2.23 0.01 0.00 -0.56 0.00 0.00 46.19 48.00 3kvr s LEU 272 CO 0.75 -0.82 0.52 0.21 -1.06 0.00 0.00 176.35 175.94 3kvr s ASN 273 N -2.69 6.29 0.21 1.48 3.84 -1.26 -0.61 114.94 122.20 3kvr s ASN 273 Ca 0.07 -0.23 0.21 0.00 0.21 0.00 0.00 52.86 53.12 3kvr s ASN 273 Cb -0.01 -2.27 0.91 0.00 -0.55 0.00 0.00 41.25 39.33 3kvr s ASN 273 CO -0.06 -0.56 1.65 0.54 -2.79 0.00 0.00 177.10 175.89 3kvr n ARG 274 N 5.81 0.15 0.09 0.43 5.12 0.19 -0.17 116.66 128.28 3kvr n ARG 274 Ca -0.05 0.41 0.11 0.00 -1.93 0.00 0.00 57.85 56.39 3kvr n ARG 274 Cb 0.48 -1.80 0.44 0.00 -1.16 0.00 0.00 32.46 30.42 3kvr n ARG 274 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3kvr n LEU 275 N -2.09 0.46 -0.09 0.55 4.77 -1.26 -3.12 117.00 116.21 3kvr n LEU 275 Ca 0.02 0.60 0.05 0.00 -0.03 0.00 0.00 56.01 56.66 3kvr n LEU 275 Cb 0.20 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 3kvr n LEU 275 CO 0.18 -0.42 0.07 -0.62 -1.33 0.00 0.00 177.39 175.26 3kvr n GLU 276 N -2.00 2.95 0.00 3.23 -0.58 0.77 -5.07 120.64 119.93 3kvr n GLU 276 Ca 0.03 -0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 3kvr n GLU 276 Cb 0.23 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 3kvr n GLU 276 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kvr n GLY 277 N 1.14 1.36 0.01 0.62 0.00 -1.14 -5.03 105.19 102.15 3kvr n GLY 277 Ca 0.03 -1.10 -0.01 0.00 0.00 0.00 0.00 46.02 44.94 3kvr n GLY 277 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kvr n ASP 278 N 0.00 3.99 -4.85 1.61 8.00 -1.26 -4.29 116.55 119.75 3kvr n ASP 278 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 3kvr n ASP 278 Cb 0.00 0.81 -0.06 0.00 -0.02 0.00 0.00 41.12 41.86 3kvr n ASP 278 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3kvr s GLN 279 N -2.17 3.95 -0.87 -1.24 -1.52 -1.26 -5.00 119.66 111.54 3kvr s GLN 279 Ca -0.02 0.45 -0.17 0.00 -1.95 0.00 0.00 55.36 53.67 3kvr s GLN 279 Cb 0.02 -2.88 0.15 0.00 -0.22 0.00 0.00 33.01 30.09 3kvr s GLN 279 CO 0.17 0.45 0.99 0.42 -0.25 0.00 0.00 175.29 177.07 3kvr s ILE 280 N -1.53 4.99 -1.39 1.08 1.01 -1.26 -4.82 121.20 119.27 3kvr s ILE 280 Ca 0.40 -1.78 0.13 0.00 0.00 0.00 0.00 60.65 59.40 3kvr s ILE 280 Cb -0.14 -4.67 0.25 0.00 0.01 0.00 0.00 42.46 37.91 3kvr s ILE 280 CO 0.19 -1.34 1.13 -1.54 0.00 0.00 0.00 174.94 173.38 3kvr n SER 281 N 5.80 2.67 -4.74 3.58 3.41 -1.26 -4.99 113.62 118.10 3kvr n SER 281 Ca 0.18 -1.80 -0.37 0.00 -0.26 0.00 0.00 58.87 56.62 3kvr n SER 281 Cb 0.48 -0.15 0.06 0.00 -0.26 0.00 0.00 64.21 64.34 3kvr n SER 281 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kvr s SER 282 N -1.06 4.74 0.47 4.04 0.01 -1.26 -4.95 113.70 115.68 3kvr s SER 282 Ca 0.23 2.64 -0.23 0.00 1.31 0.00 0.00 55.95 59.90 3kvr s SER 282 Cb 0.13 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.65 3kvr s SER 282 CO 0.18 -1.92 1.08 -2.65 0.41 0.00 0.00 173.24 170.35 3kvr n PRO 283 N -1.74 1.41 -0.30 12.44 -0.02 -1.26 -4.79 135.00 140.75 3kvr n PRO 283 Ca 0.15 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 3kvr n PRO 283 Cb 0.48 -2.18 0.28 0.00 -0.02 0.00 0.00 33.50 32.06 3kvr n PRO 283 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kvr h HIS 284 N 1.44 0.35 -0.52 6.00 -0.00 -1.99 -1.88 115.15 118.54 3kvr h HIS 284 Ca -0.47 0.05 0.04 0.00 -0.00 0.00 0.00 60.37 60.00 3kvr h HIS 284 Cb 1.33 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 28.68 3kvr h HIS 284 CO 0.43 -0.21 0.27 -0.44 -0.00 0.00 0.00 177.93 177.99 3kvr h ASP 285 N 0.21 0.40 -0.55 3.26 5.19 -2.00 -1.21 116.42 121.72 3kvr h ASP 285 Ca 0.55 0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.89 3kvr h ASP 285 Cb 1.10 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.53 3kvr h ASP 285 CO -0.65 0.28 -0.01 0.58 -3.12 0.00 0.00 179.24 176.31 3kvr h VAL 286 N 0.53 1.27 -0.13 -1.35 2.07 -1.72 -2.53 116.25 114.39 3kvr h VAL 286 Ca 0.23 -1.14 -0.14 0.00 0.82 0.00 0.00 66.70 66.47 3kvr h VAL 286 Cb 0.12 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3kvr h VAL 286 CO -0.15 0.41 -0.52 -0.07 0.02 0.00 0.00 177.57 177.26 3kvr h LEU 287 N 0.87 0.39 -0.01 2.57 3.38 -0.95 0.14 115.31 121.70 3kvr h LEU 287 Ca 0.16 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3kvr h LEU 287 Cb 0.56 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3kvr h LEU 287 CO 0.03 0.85 0.01 0.00 0.09 0.00 0.00 178.44 179.41 3kvr h ALA 288 N 1.17 0.02 -0.32 1.53 0.00 -1.14 -0.71 119.26 119.80 3kvr h ALA 288 Ca 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kvr h ALA 288 Cb 1.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3kvr h ALA 288 CO 0.09 -0.40 0.19 1.49 0.00 0.00 0.00 179.25 180.62 3kvr h GLU 289 N -0.14 0.43 -0.77 0.00 4.22 -1.24 -1.96 114.58 115.12 3kvr h GLU 289 Ca 0.00 -0.04 0.17 0.00 0.08 0.00 0.00 59.36 59.58 3kvr h GLU 289 Cb 0.16 -0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.21 3kvr h GLU 289 CO -0.00 0.32 0.21 1.88 -2.18 0.00 0.00 179.01 179.24 3kvr h TYR 290 N 0.41 0.32 0.00 0.92 0.99 -0.51 -0.59 116.97 118.52 3kvr h TYR 290 Ca 0.11 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.89 3kvr h TYR 290 Cb 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 37.71 3kvr h TYR 290 CO -0.04 -0.09 0.00 1.04 -0.00 0.00 0.00 178.16 179.07 3kvr n GLN 291 N -5.15 0.16 0.03 4.88 6.02 -0.29 -1.60 117.38 121.43 3kvr n GLN 291 Ca 0.16 0.42 0.13 0.00 -0.01 0.00 0.00 57.00 57.69 3kvr n GLN 291 Cb 0.50 -1.82 0.36 0.00 1.02 0.00 0.00 30.24 30.29 3kvr n GLN 291 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3kvr n GLN 292 N -2.13 0.10 -0.08 -1.09 6.02 -0.24 -4.26 117.38 115.70 3kvr n GLN 292 Ca 0.02 0.05 -0.09 0.00 -0.01 0.00 0.00 57.00 56.96 3kvr n GLN 292 Cb 0.21 -1.58 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 3kvr n GLN 292 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kvr h ARG 293 N 0.00 0.37 0.00 -1.09 3.08 -1.22 0.11 114.38 115.63 3kvr h ARG 293 Ca 0.00 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3kvr h ARG 293 Cb 0.59 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3kvr h ARG 293 CO 0.00 0.27 -0.19 -1.35 -1.07 0.00 0.00 179.97 177.63 3kvr h PRO 294 N 0.36 0.00 -0.18 0.04 0.11 -1.76 -1.07 132.00 129.51 3kvr h PRO 294 Ca 0.10 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.08 3kvr h PRO 294 Cb -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3kvr h PRO 294 CO -0.02 0.19 -0.44 1.96 -0.21 0.00 0.00 178.00 179.49 3kvr h GLN 295 N 0.00 0.43 -0.07 1.05 4.20 -1.29 -1.30 115.11 118.12 3kvr h GLN 295 Ca -0.00 -0.22 -0.24 0.00 0.06 0.00 0.00 58.65 58.24 3kvr h GLN 295 Cb 0.74 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.54 3kvr h GLN 295 CO 0.02 0.79 -0.91 0.00 -0.67 0.00 0.00 178.83 178.07 3kvr h ARG 296 N 0.35 0.71 -0.45 1.46 3.08 0.09 -1.28 114.38 118.35 3kvr h ARG 296 Ca 0.03 -0.67 0.06 0.00 0.07 0.00 0.00 59.98 59.46 3kvr h ARG 296 Cb 0.91 0.17 -0.05 0.00 0.08 0.00 0.00 29.97 31.08 3kvr h ARG 296 CO 0.08 1.27 0.16 1.25 -1.07 0.00 0.00 179.97 181.66 3kvr h LEU 297 N 0.45 0.18 -0.43 3.04 6.46 -1.14 -1.28 115.31 122.58 3kvr h LEU 297 Ca -0.09 0.05 -0.17 0.00 -0.12 0.00 0.00 57.88 57.55 3kvr h LEU 297 Cb 1.55 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.49 3kvr h LEU 297 CO 0.18 0.13 -0.77 0.58 -0.62 0.00 0.00 178.44 177.94 3kvr h VAL 298 N 0.34 1.47 -0.96 1.05 2.07 -1.24 -2.06 116.25 116.91 3kvr h VAL 298 Ca 0.21 -2.42 0.01 0.00 0.82 0.00 0.00 66.70 65.32 3kvr h VAL 298 Cb 0.20 2.32 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 3kvr h VAL 298 CO -0.21 0.71 0.63 1.23 0.02 0.00 0.00 177.57 179.95 3kvr h GLY 299 N 1.82 1.36 0.65 2.17 0.00 -0.87 0.02 103.07 108.22 3kvr h GLY 299 Ca -0.03 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 46.84 3kvr h GLY 299 CO 0.11 0.48 -0.06 1.46 0.00 0.00 0.00 176.54 178.53 3kvr h GLN 300 N 1.29 -0.04 -1.00 4.80 1.08 -0.84 0.15 115.11 120.54 3kvr h GLN 300 Ca 0.36 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.61 3kvr h GLN 300 Cb -0.13 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.25 3kvr h GLN 300 CO -0.08 -0.03 0.65 0.35 -0.95 0.00 0.00 178.83 178.77 3kvr h PHE 301 N -0.04 1.22 0.26 2.96 3.04 -1.01 0.98 116.94 124.35 3kvr h PHE 301 Ca 0.08 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 3kvr h PHE 301 Cb 0.16 -0.40 0.00 0.00 2.56 0.00 0.00 35.95 38.27 3kvr h PHE 301 CO -0.20 0.66 -0.12 0.82 -2.02 0.00 0.00 178.31 177.45 3kvr h ILE 302 N 1.22 0.76 -0.80 1.41 2.04 -0.66 -1.78 117.51 119.70 3kvr h ILE 302 Ca 0.42 -0.72 0.14 0.00 1.00 0.00 0.00 64.86 65.70 3kvr h ILE 302 Cb 0.09 1.13 -0.14 0.00 -0.74 0.00 0.00 36.82 37.16 3kvr h ILE 302 CO -0.15 0.14 -0.34 0.50 0.00 0.00 0.00 178.15 178.31 3kvr h LYS 303 N -0.75 -0.07 0.00 2.37 3.64 -0.63 0.10 116.57 121.23 3kvr h LYS 303 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3kvr h LYS 303 Cb 0.50 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3kvr h LYS 303 CO 0.06 -0.04 0.00 1.57 -2.27 0.00 0.00 179.45 178.76 3kvr h LYS 304 N -0.07 0.00 0.00 1.90 5.09 -0.80 -2.23 116.57 120.46 3kvr h LYS 304 Ca 0.31 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.92 3kvr h LYS 304 Cb 0.58 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.89 3kvr h LYS 304 CO -0.84 0.00 -0.63 0.00 -2.09 0.00 0.00 179.45 175.89 3kvr h ARG 305 N 0.00 0.00 0.00 0.07 2.47 0.04 -3.09 114.38 113.87 3kvr h ARG 305 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3kvr h ARG 305 Cb 0.75 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 3kvr h ARG 305 CO 0.00 0.63 -0.42 -0.07 0.56 0.00 0.00 179.97 180.67 3kvr h LEU 306 N 0.00 0.00 -0.07 3.04 3.38 -0.59 -3.06 115.31 118.00 3kvr h LEU 306 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kvr h LEU 306 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3kvr h LEU 306 CO 0.08 0.01 -0.05 0.23 0.09 0.00 0.00 178.44 178.81 3kvr n MET 307 N -2.73 0.48 0.00 1.13 2.81 -0.88 -4.62 117.12 113.31 3kvr n MET 307 Ca 0.03 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 3kvr n MET 307 Cb 0.51 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 3kvr n MET 307 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3kvr n GLN 308 N -1.20 0.00 0.00 0.03 6.02 -1.16 -5.10 117.38 115.97 3kvr n GLN 308 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 3kvr n GLN 308 Cb 0.26 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.52 3kvr n GLN 308 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05