#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjr s GLU 6 N 0.00 4.17 0.00 -0.72 8.01 -1.26 -1.99 118.70 126.91 3kjr s GLU 6 Ca 0.00 2.46 0.00 0.00 0.01 0.00 0.00 54.97 57.44 3kjr s GLU 6 Cb 0.00 -3.48 0.00 0.00 -4.31 0.00 0.00 34.13 26.34 3kjr s GLU 6 CO 0.00 -0.76 0.00 0.41 0.01 0.00 0.00 175.26 174.92 3kjr n GLY 7 N 4.05 0.83 1.69 -1.39 0.00 -1.26 -4.91 105.19 104.20 3kjr n GLY 7 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 3kjr n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kjr n GLY 9 N 1.01 -1.23 3.45 0.00 0.00 -1.26 -4.58 105.19 102.58 3kjr n GLY 9 Ca 0.26 -1.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.34 3kjr n GLY 9 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kjr n ASP 10 N -3.69 -4.15 -4.81 1.61 2.03 -0.98 -4.98 116.55 101.58 3kjr n ASP 10 Ca 0.15 -0.56 -0.38 0.00 0.52 0.00 0.00 54.79 54.52 3kjr n ASP 10 Cb 0.54 -4.95 -0.06 0.00 -0.72 0.00 0.00 41.12 35.93 3kjr n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3kjr s LEU 11 N -6.68 4.42 -0.18 -2.67 1.43 0.13 -4.77 118.68 110.37 3kjr s LEU 11 Ca 0.28 0.86 -0.03 0.00 -1.03 0.00 0.00 54.13 54.22 3kjr s LEU 11 Cb -0.13 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.54 3kjr s LEU 11 CO 0.71 0.27 -0.07 -0.89 0.23 0.00 0.00 176.35 176.59 3kjr s THR 12 N -0.70 3.35 -0.02 5.49 2.01 -1.09 -2.91 115.64 121.76 3kjr s THR 12 Ca 0.23 -0.53 -0.16 0.00 0.31 0.00 0.00 61.69 61.54 3kjr s THR 12 Cb -0.16 -2.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 3kjr s THR 12 CO 0.11 0.47 0.42 -0.63 -0.69 0.00 0.00 174.62 174.31 3kjr s ILE 13 N 0.88 5.05 -0.10 1.82 1.01 -0.65 0.68 121.20 129.89 3kjr s ILE 13 Ca -0.02 0.87 0.02 0.00 0.00 0.00 0.00 60.65 61.52 3kjr s ILE 13 Cb -0.15 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 3kjr s ILE 13 CO 0.01 0.53 -0.18 -0.36 0.00 0.00 0.00 174.94 174.94 3kjr s PHE 14 N -0.71 2.68 -0.10 3.97 0.40 -0.84 -1.09 117.98 122.28 3kjr s PHE 14 Ca 0.24 -0.70 -0.25 0.00 -0.60 0.00 0.00 56.93 55.62 3kjr s PHE 14 Cb -0.16 -1.75 0.06 0.00 0.51 0.00 0.00 43.02 41.68 3kjr s PHE 14 CO 0.13 -0.22 0.58 0.54 0.70 0.00 0.00 175.22 176.95 3kjr s VAL 15 N 0.15 0.01 -0.11 -0.44 0.11 -0.91 -4.55 120.40 114.66 3kjr s VAL 15 Ca -0.09 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 3kjr s VAL 15 Cb -0.16 -0.87 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 3kjr s VAL 15 CO 0.06 -0.05 -0.16 0.00 -3.33 0.00 0.00 175.10 171.61 3kjr s ALA 16 N -0.72 2.50 -0.06 1.54 0.00 -1.26 -0.72 121.76 123.04 3kjr s ALA 16 Ca -0.08 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 3kjr s ALA 16 Cb -0.02 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 22.05 3kjr s ALA 16 CO 0.06 0.30 -0.02 0.08 0.00 0.00 0.00 175.76 176.17 3kjr s VAL 17 N 0.22 0.47 0.91 0.00 1.01 -0.14 -4.68 120.40 118.19 3kjr s VAL 17 Ca -0.10 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 3kjr s VAL 17 Cb -0.16 -0.56 0.14 0.00 0.00 0.00 0.00 36.38 35.79 3kjr s VAL 17 CO 0.06 0.25 1.09 0.00 0.00 0.00 0.00 175.10 176.50 3kjr s ALA 18 N 1.45 1.49 0.42 5.51 0.00 -0.76 -1.37 121.76 128.50 3kjr s ALA 18 Ca -0.03 -0.12 0.09 0.00 0.00 0.00 0.00 51.96 51.90 3kjr s ALA 18 Cb -0.13 -3.17 0.90 0.00 0.00 0.00 0.00 23.12 20.71 3kjr s ALA 18 CO -0.03 -2.40 2.05 1.25 0.00 0.00 0.00 175.76 176.63 3kjr h LEU 19 N -1.58 0.44 -1.86 0.00 5.85 -0.73 0.03 115.31 117.46 3kjr h LEU 19 Ca -0.50 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3kjr h LEU 19 Cb 1.29 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3kjr h LEU 19 CO 0.55 0.31 0.00 -0.46 -0.34 0.00 0.00 178.44 178.50 3kjr n ASN 20 N -4.48 2.69 0.00 1.25 6.94 -1.26 -4.90 115.26 115.50 3kjr n ASN 20 Ca 0.04 -2.30 0.00 0.00 -0.02 0.00 0.00 54.58 52.30 3kjr n ASN 20 Cb 0.12 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.04 3kjr n ASN 20 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3kjr n LYS 21 N 0.29 -0.24 -2.28 -3.83 5.02 -0.00 -5.00 118.16 112.12 3kjr n LYS 21 Ca 0.11 0.06 -0.41 0.00 -2.02 0.00 0.00 58.31 56.05 3kjr n LYS 21 Cb 0.56 -3.33 -0.03 0.00 -0.02 0.00 0.00 35.03 32.21 3kjr n LYS 21 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kjr s VAL 22 N -2.52 3.20 0.00 -0.18 1.01 -1.26 -0.86 120.40 119.79 3kjr s VAL 22 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.07 3kjr s VAL 22 Cb 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3kjr s VAL 22 CO 0.00 0.21 0.00 2.30 0.00 0.00 0.00 175.10 177.61 3kjr n ILE 23 N 1.81 0.00 -3.84 2.22 -5.35 0.41 -1.82 119.36 112.79 3kjr n ILE 23 Ca 0.03 -0.03 -0.10 0.00 -0.27 0.00 0.00 62.75 62.38 3kjr n ILE 23 Cb 0.43 0.47 -0.08 0.00 -1.74 0.00 0.00 39.64 38.72 3kjr n ILE 23 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kjr s GLY 24 N -1.71 0.02 -0.21 3.28 0.00 -0.97 -4.45 107.32 103.29 3kjr s GLY 24 Ca 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 44.72 44.39 3kjr s GLY 24 CO 0.00 -0.47 0.36 -1.58 0.00 0.00 0.00 173.10 171.41 3kjr s HIS 25 N -2.69 -0.70 -1.45 1.90 2.46 -0.03 -0.72 115.29 114.05 3kjr s HIS 25 Ca -0.04 1.02 -0.06 0.00 0.47 0.00 0.00 55.06 56.45 3kjr s HIS 25 Cb -0.00 0.06 0.04 0.00 -0.13 0.00 0.00 32.58 32.55 3kjr s HIS 25 CO -0.05 -0.58 0.67 1.63 -2.47 0.00 0.00 174.74 173.95 3kjr n LYS 26 N 5.37 -4.21 -2.01 2.88 4.76 -1.26 -1.01 118.16 122.68 3kjr n LYS 26 Ca -0.06 0.50 -0.19 0.00 -2.87 0.00 0.00 58.31 55.69 3kjr n LYS 26 Cb 0.50 -5.00 -0.04 0.00 -1.84 0.00 0.00 35.03 28.64 3kjr n LYS 26 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kjr n ASN 27 N -2.92 -5.47 -4.20 4.39 5.15 -1.26 -4.99 115.26 105.96 3kjr n ASN 27 Ca -0.17 0.20 -0.12 0.00 -0.60 0.00 0.00 54.58 53.89 3kjr n ASN 27 Cb 0.62 -4.58 -0.10 0.00 -0.53 0.00 0.00 39.78 35.18 3kjr n ASN 27 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3kjr s GLN 28 N -4.38 0.97 0.14 1.20 -0.21 -0.18 -4.64 119.66 112.56 3kjr s GLN 28 Ca 0.00 -1.44 -0.31 0.00 0.02 0.00 0.00 55.36 53.62 3kjr s GLN 28 Cb 0.00 -0.13 -0.10 0.00 1.00 0.00 0.00 33.01 33.78 3kjr s GLN 28 CO 0.00 -0.12 1.70 0.42 -2.12 0.00 0.00 175.29 175.17 3kjr s ILE 29 N -3.74 2.56 0.08 1.08 -1.09 -1.26 -0.86 121.20 117.98 3kjr s ILE 29 Ca 0.20 0.25 0.26 0.00 -2.23 0.00 0.00 60.65 59.12 3kjr s ILE 29 Cb 0.06 -3.16 0.27 0.00 -1.58 0.00 0.00 42.46 38.05 3kjr s ILE 29 CO 0.00 0.01 1.83 -0.65 -1.23 0.00 0.00 174.94 174.90 3kjr h PRO 30 N 7.69 0.00 -6.21 2.79 0.11 -1.86 -3.45 132.00 131.06 3kjr h PRO 30 Ca -0.44 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.13 3kjr h PRO 30 Cb 1.21 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 3kjr h PRO 30 CO 0.94 0.17 -0.60 1.67 -0.21 0.00 0.00 178.00 179.97 3kjr s TRP 31 N -3.60 2.88 0.74 0.65 -2.14 -1.26 -4.87 118.94 111.33 3kjr s TRP 31 Ca 0.01 -0.17 -0.15 0.00 2.66 0.00 0.00 56.10 58.45 3kjr s TRP 31 Cb 0.09 -1.29 0.01 0.00 -3.10 0.00 0.00 33.47 29.18 3kjr s TRP 31 CO 0.62 0.57 0.94 -2.30 -2.66 0.00 0.00 176.95 174.12 3kjr n PRO 32 N -0.93 0.41 -1.70 3.25 -0.02 -1.26 -4.87 135.00 129.88 3kjr n PRO 32 Ca -0.07 0.20 -0.44 0.00 -2.02 0.00 0.00 63.50 61.17 3kjr n PRO 32 Cb 0.58 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 3kjr n PRO 32 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3kjr n HIS 33 N -2.64 2.55 -3.73 6.00 -0.00 -1.26 -4.97 115.22 111.17 3kjr n HIS 33 Ca 0.13 0.20 -0.37 0.00 0.46 0.00 0.00 57.72 58.14 3kjr n HIS 33 Cb 0.50 -2.59 -0.10 0.00 -0.12 0.00 0.00 29.99 27.67 3kjr n HIS 33 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3kjr s ILE 34 N 0.69 3.55 0.37 3.57 1.01 -1.26 -4.97 121.20 124.16 3kjr s ILE 34 Ca 0.73 -2.30 0.08 0.00 0.00 0.00 0.00 60.65 59.16 3kjr s ILE 34 Cb -0.58 -3.38 0.31 0.00 0.01 0.00 0.00 42.46 38.82 3kjr s ILE 34 CO 0.39 -0.76 1.93 0.74 0.00 0.00 0.00 174.94 177.24 3kjr h THR 35 N 5.99 0.94 -0.90 2.92 2.02 -2.00 -0.65 112.91 121.23 3kjr h THR 35 Ca -0.10 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 66.88 3kjr h THR 35 Cb 1.02 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 3kjr h THR 35 CO 0.72 0.13 0.59 -0.74 0.37 0.00 0.00 175.52 176.59 3kjr h HIS 36 N 0.70 1.08 -0.11 3.16 -0.00 -1.99 -1.45 115.15 116.54 3kjr h HIS 36 Ca 0.36 0.03 -0.19 0.00 -0.00 0.00 0.00 60.37 60.56 3kjr h HIS 36 Cb 0.46 -0.36 -0.00 0.00 -0.00 0.00 0.00 27.41 27.51 3kjr h HIS 36 CO -0.00 0.61 -0.73 0.22 -0.00 0.00 0.00 177.93 178.02 3kjr h ASP 37 N 1.10 0.62 -0.28 3.26 3.58 -1.55 -0.95 116.42 122.19 3kjr h ASP 37 Ca 0.37 -0.40 0.04 0.00 0.42 0.00 0.00 57.03 57.45 3kjr h ASP 37 Cb 0.08 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 3kjr h ASP 37 CO -0.12 1.16 0.05 -0.26 -2.88 0.00 0.00 179.24 177.19 3kjr h PHE 38 N 0.36 0.09 -0.59 0.28 -1.00 -1.09 -1.29 116.94 113.70 3kjr h PHE 38 Ca -0.04 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.69 3kjr h PHE 38 Cb 1.32 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.86 3kjr h PHE 38 CO 0.06 0.02 0.06 0.00 -1.61 0.00 0.00 178.31 176.83 3kjr h ARG 39 N 0.16 0.97 0.13 1.51 3.08 -1.13 -0.63 114.38 118.47 3kjr h ARG 39 Ca 0.13 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3kjr h ARG 39 Cb 0.14 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3kjr h ARG 39 CO -0.18 0.92 -0.06 0.35 -1.07 0.00 0.00 179.97 179.93 3kjr h PHE 40 N 0.91 -0.16 -0.48 3.04 3.57 -0.95 -0.17 116.94 122.70 3kjr h PHE 40 Ca 0.18 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.69 3kjr h PHE 40 Cb 0.45 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 3kjr h PHE 40 CO 0.03 -0.08 0.30 1.25 -2.23 0.00 0.00 178.31 177.57 3kjr h LEU 41 N -0.20 0.49 -0.33 0.59 5.85 -1.07 0.89 115.31 121.53 3kjr h LEU 41 Ca -0.02 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3kjr h LEU 41 Cb 0.16 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3kjr h LEU 41 CO 0.03 0.35 0.17 -0.09 -0.34 0.00 0.00 178.44 178.56 3kjr h ARG 42 N 0.60 0.34 -0.40 1.25 1.12 -0.93 -1.34 114.38 115.01 3kjr h ARG 42 Ca 0.18 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 59.00 3kjr h ARG 42 Cb -0.02 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 29.85 3kjr h ARG 42 CO -0.07 0.23 0.12 -0.91 -3.11 0.00 0.00 179.97 176.23 3kjr h ASN 43 N 0.35 0.59 -0.47 -3.80 2.35 -0.76 -2.39 115.58 111.45 3kjr h ASN 43 Ca 0.14 -0.21 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 3kjr h ASN 43 Cb 0.05 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3kjr h ASN 43 CO -0.09 0.64 0.14 1.23 -1.65 0.00 0.00 177.43 177.70 3kjr h GLY 44 N 0.50 0.86 -2.11 2.83 0.00 -0.63 -3.10 103.07 101.42 3kjr h GLY 44 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3kjr h GLY 44 CO -0.00 0.45 0.00 -1.30 0.00 0.00 0.00 176.54 175.69 3kjr n THR 45 N -4.29 0.49 0.20 4.70 -2.24 -0.52 -4.14 114.28 108.48 3kjr n THR 45 Ca 0.04 -0.70 0.02 0.00 -2.27 0.00 0.00 64.05 61.14 3kjr n THR 45 Cb 0.21 0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 3kjr n THR 45 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kjr n THR 46 N 1.33 0.00 -2.17 4.28 -2.24 -0.90 -4.69 114.28 109.88 3kjr n THR 46 Ca 0.19 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 3kjr n THR 46 Cb 0.56 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.78 3kjr n THR 46 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3kjr s TYR 47 N -1.23 3.24 -0.11 4.78 5.04 -1.18 -4.91 117.35 122.99 3kjr s TYR 47 Ca 0.02 0.95 0.03 0.00 -2.44 0.00 0.00 57.07 55.64 3kjr s TYR 47 Cb 0.03 -3.68 0.01 0.00 0.35 0.00 0.00 41.96 38.67 3kjr s TYR 47 CO 0.16 -2.38 -0.20 0.42 -1.34 0.00 0.00 175.55 172.21 3kjr s ILE 48 N 1.11 1.83 0.06 3.14 -1.09 -1.26 -4.94 121.20 120.05 3kjr s ILE 48 Ca 0.65 -0.87 -0.31 0.00 -2.23 0.00 0.00 60.65 57.89 3kjr s ILE 48 Cb -0.37 -1.62 -0.10 0.00 -1.58 0.00 0.00 42.46 38.79 3kjr s ILE 48 CO 0.30 0.51 1.90 -0.81 -1.23 0.00 0.00 174.94 175.61 3kjr n PRO 49 N 3.86 2.72 -0.24 2.79 -0.04 -1.26 -4.72 135.00 138.11 3kjr n PRO 49 Ca -0.20 1.00 0.10 0.00 -0.04 0.00 0.00 63.50 64.36 3kjr n PRO 49 Cb 0.52 -2.91 0.20 0.00 -0.04 0.00 0.00 33.50 31.27 3kjr n PRO 49 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3kjr n PRO 50 N 6.55 -0.06 0.19 0.54 -0.02 -1.26 0.02 135.00 140.97 3kjr n PRO 50 Ca 0.20 1.04 0.05 0.00 -2.02 0.00 0.00 63.50 62.76 3kjr n PRO 50 Cb 0.37 -1.65 0.36 0.00 -0.02 0.00 0.00 33.50 32.56 3kjr n PRO 50 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3kjr h GLU 51 N 0.00 0.00 -0.12 -0.52 9.09 -1.99 0.24 114.58 121.29 3kjr h GLU 51 Ca 0.42 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.74 3kjr h GLU 51 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.96 3kjr h GLU 51 CO -0.66 0.39 -0.27 0.28 0.05 0.00 0.00 179.01 178.80 3kjr h VAL 52 N 0.00 1.38 -0.01 -1.06 2.07 -0.77 -3.31 116.25 114.55 3kjr h VAL 52 Ca -0.00 -1.57 -0.06 0.00 0.82 0.00 0.00 66.70 65.89 3kjr h VAL 52 Cb 0.81 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3kjr h VAL 52 CO 0.05 0.46 -0.28 0.25 0.02 0.00 0.00 177.57 178.07 3kjr h LEU 53 N -0.03 0.01 -0.92 2.57 5.85 -0.65 -3.12 115.31 119.02 3kjr h LEU 53 Ca -0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kjr h LEU 53 Cb 0.87 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3kjr h LEU 53 CO 0.06 0.30 0.00 0.77 -0.34 0.00 0.00 178.44 179.23 3kjr h SER 54 N 0.01 0.00 0.50 1.25 4.64 -0.64 -2.24 113.55 117.08 3kjr h SER 54 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3kjr h SER 54 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3kjr h SER 54 CO 0.04 0.00 -1.56 2.29 -0.87 0.00 0.00 176.83 176.73 3kjr n LYS 55 N -3.07 0.64 -3.29 4.77 2.85 -1.18 -4.76 118.16 114.11 3kjr n LYS 55 Ca 0.02 0.02 -0.08 0.00 -1.05 0.00 0.00 58.31 57.22 3kjr n LYS 55 Cb 0.38 -1.69 -0.05 0.00 -0.65 0.00 0.00 35.03 33.02 3kjr n LYS 55 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3kjr s ASN 56 N -5.17 0.17 0.00 -5.58 2.20 -1.15 -5.02 114.94 100.38 3kjr s ASN 56 Ca -0.04 -0.32 0.08 0.00 -0.94 0.00 0.00 52.86 51.64 3kjr s ASN 56 Cb 0.11 1.21 0.43 0.00 -2.00 0.00 0.00 41.25 40.99 3kjr s ASN 56 CO 0.84 -0.35 1.12 -0.81 -2.94 0.00 0.00 177.10 174.96 3kjr n PRO 57 N 5.36 0.13 0.10 3.55 -0.04 -0.85 -2.12 135.00 141.13 3kjr n PRO 57 Ca 0.01 0.19 -0.03 0.00 -0.04 0.00 0.00 63.50 63.62 3kjr n PRO 57 Cb 0.50 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 3kjr n PRO 57 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3kjr h ASP 58 N 0.00 0.00 -2.95 3.54 3.32 -1.95 -3.48 116.42 114.90 3kjr h ASP 58 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3kjr h ASP 58 Cb 0.07 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.71 3kjr h ASP 58 CO 0.00 0.80 0.60 0.00 -1.72 0.00 0.00 179.24 178.92 3kjr n ILE 59 N -3.43 1.31 -4.20 0.35 3.06 -0.90 -5.00 119.36 110.55 3kjr n ILE 59 Ca 0.00 -0.33 -0.14 0.00 -2.50 0.00 0.00 62.75 59.78 3kjr n ILE 59 Cb 0.81 -1.56 -0.10 0.00 0.54 0.00 0.00 39.64 39.33 3kjr n ILE 59 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 3kjr s GLN 60 N -0.92 0.91 0.41 9.51 -0.21 -1.26 -4.93 119.66 123.17 3kjr s GLN 60 Ca 0.63 -1.27 -0.15 0.00 0.02 0.00 0.00 55.36 54.60 3kjr s GLN 60 Cb -0.61 -0.53 -0.08 0.00 1.00 0.00 0.00 33.01 32.80 3kjr s GLN 60 CO 0.54 0.07 0.83 -0.80 -2.12 0.00 0.00 175.29 173.81 3kjr s ASN 61 N -2.74 6.67 -0.05 5.90 0.01 -1.26 -1.35 114.94 122.12 3kjr s ASN 61 Ca 0.10 1.35 -0.13 0.00 -0.71 0.00 0.00 52.86 53.47 3kjr s ASN 61 Cb -0.00 -2.41 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 3kjr s ASN 61 CO -0.00 -0.38 0.33 -0.69 -1.51 0.00 0.00 177.10 174.85 3kjr s VAL 62 N -2.29 5.18 -0.12 1.60 1.01 0.60 -0.44 120.40 125.93 3kjr s VAL 62 Ca 0.55 0.66 0.01 0.00 0.00 0.00 0.00 61.98 63.20 3kjr s VAL 62 Cb -0.10 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.67 3kjr s VAL 62 CO 0.25 0.55 -0.13 -0.69 0.00 0.00 0.00 175.10 175.08 3kjr s VAL 63 N -0.79 1.40 -0.10 2.92 1.01 0.93 -0.45 120.40 125.33 3kjr s VAL 63 Ca 0.21 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3kjr s VAL 63 Cb -0.15 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 3kjr s VAL 63 CO 0.10 0.43 -0.15 -0.63 0.00 0.00 0.00 175.10 174.84 3kjr s ILE 64 N 1.34 2.91 0.16 2.22 1.01 -0.23 -0.48 121.20 128.12 3kjr s ILE 64 Ca 0.00 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.00 3kjr s ILE 64 Cb -0.14 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3kjr s ILE 64 CO -0.07 0.55 -0.18 -0.36 0.00 0.00 0.00 174.94 174.89 3kjr s PHE 65 N -0.05 1.75 0.82 3.97 0.08 -0.17 -0.91 117.98 123.48 3kjr s PHE 65 Ca -0.04 -0.48 -0.12 0.00 0.12 0.00 0.00 56.93 56.42 3kjr s PHE 65 Cb -0.14 -0.88 0.08 0.00 -0.57 0.00 0.00 43.02 41.51 3kjr s PHE 65 CO 0.04 0.30 1.10 0.20 -0.10 0.00 0.00 175.22 176.76 3kjr s GLY 66 N -2.62 1.62 0.10 4.36 0.00 -0.50 -1.17 107.32 109.11 3kjr s GLY 66 Ca 0.15 -0.22 -0.22 0.00 0.00 0.00 0.00 44.72 44.43 3kjr s GLY 66 CO 0.06 0.23 1.74 -0.09 0.00 0.00 0.00 173.10 175.04 3kjr h ARG 67 N -1.17 0.06 -0.38 2.90 2.43 -1.75 -2.77 114.38 113.70 3kjr h ARG 67 Ca -0.48 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.66 3kjr h ARG 67 Cb 1.28 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 3kjr h ARG 67 CO 0.59 0.04 0.10 0.87 -1.51 0.00 0.00 179.97 180.06 3kjr h LYS 68 N 0.06 0.56 -0.51 0.20 1.57 -1.95 -2.20 116.57 114.30 3kjr h LYS 68 Ca 0.04 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 3kjr h LYS 68 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3kjr h LYS 68 CO -0.04 0.51 -0.14 1.15 -0.57 0.00 0.00 179.45 180.35 3kjr h THR 69 N 0.55 1.27 -0.29 -0.16 2.02 -1.87 -1.68 112.91 112.75 3kjr h THR 69 Ca 0.13 -1.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 3kjr h THR 69 Cb 0.20 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3kjr h THR 69 CO -0.01 0.45 0.18 1.88 0.37 0.00 0.00 175.52 178.39 3kjr h TYR 70 N 0.86 0.38 0.00 3.16 0.99 -1.15 -2.34 116.97 118.87 3kjr h TYR 70 Ca 0.13 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.86 3kjr h TYR 70 Cb 0.70 -0.13 0.00 0.00 1.00 0.00 0.00 36.73 38.31 3kjr h TYR 70 CO 0.05 0.28 0.00 -0.85 -0.00 0.00 0.00 178.16 177.64 3kjr n GLU 71 N -4.85 0.17 0.03 4.88 0.28 -0.87 -2.73 120.64 117.55 3kjr n GLU 71 Ca -0.02 0.41 -0.06 0.00 -0.16 0.00 0.00 57.16 57.33 3kjr n GLU 71 Cb 0.05 -1.83 -0.11 0.00 1.43 0.00 0.00 31.44 30.98 3kjr n GLU 71 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3kjr h SER 72 N 0.00 0.00 -3.50 -1.84 4.64 -0.78 -3.46 113.55 108.62 3kjr h SER 72 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3kjr h SER 72 Cb 0.34 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3kjr h SER 72 CO 0.00 0.90 0.52 -0.63 -0.87 0.00 0.00 176.83 176.75 3kjr s ILE 73 N -2.71 3.77 -0.08 0.95 1.09 -1.01 -4.92 121.20 118.28 3kjr s ILE 73 Ca -0.01 1.48 -0.39 0.00 -1.10 0.00 0.00 60.65 60.63 3kjr s ILE 73 Cb 0.09 -3.95 -0.17 0.00 -1.06 0.00 0.00 42.46 37.37 3kjr s ILE 73 CO 0.81 0.23 1.43 -2.65 -0.10 0.00 0.00 174.94 174.67 3kjr n PRO 74 N 2.58 0.88 0.00 2.79 -0.02 -1.26 -4.76 135.00 135.21 3kjr n PRO 74 Ca 0.04 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3kjr n PRO 74 Cb 0.46 -1.94 0.01 0.00 -0.02 0.00 0.00 33.50 32.01 3kjr n PRO 74 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3kjr n LYS 75 N 3.28 0.00 0.00 -0.52 0.00 -1.26 -3.58 118.16 116.09 3kjr n LYS 75 Ca 0.22 0.41 0.00 0.00 -0.00 0.00 0.00 58.31 58.94 3kjr n LYS 75 Cb 0.14 -1.61 0.00 0.00 -0.00 0.00 0.00 35.03 33.56 3kjr n LYS 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3kjr n ALA 76 N -1.41 0.00 -1.60 0.58 0.00 -1.26 -4.35 120.51 112.47 3kjr n ALA 76 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3kjr n ALA 76 Cb 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.51 3kjr n ALA 76 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kjr n SER 77 N 0.00 7.67 0.10 0.00 3.41 -1.24 -4.69 113.62 118.87 3kjr n SER 77 Ca 0.00 -2.91 -0.13 0.00 -0.26 0.00 0.00 58.87 55.57 3kjr n SER 77 Cb 0.00 -1.40 -0.08 0.00 -0.26 0.00 0.00 64.21 62.46 3kjr n SER 77 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3kjr h LEU 78 N 5.64 -0.19 -8.72 1.04 5.85 -1.76 -3.39 115.31 113.79 3kjr h LEU 78 Ca 0.64 -0.18 -0.51 0.00 0.84 0.00 0.00 57.88 58.68 3kjr h LEU 78 Cb 0.51 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3kjr h LEU 78 CO 1.32 0.07 1.56 -2.84 -0.34 0.00 0.00 178.44 178.21 3kjr s PRO 79 N -5.17 2.48 0.02 5.25 0.02 -1.26 -4.88 135.00 131.46 3kjr s PRO 79 Ca -0.15 1.52 -0.30 0.00 0.02 0.00 0.00 61.00 62.10 3kjr s PRO 79 Cb 0.03 -4.49 -0.08 0.00 0.02 0.00 0.00 34.50 29.98 3kjr s PRO 79 CO 0.62 -2.85 1.81 -0.51 -0.33 0.00 0.00 177.00 175.74 3kjr s LEU 80 N 10.65 4.39 0.18 -5.54 1.43 -1.26 -4.87 118.68 123.66 3kjr s LEU 80 Ca 0.95 2.52 -0.33 0.00 -1.03 0.00 0.00 54.13 56.24 3kjr s LEU 80 Cb -0.21 -3.54 -0.14 0.00 0.03 0.00 0.00 46.19 42.33 3kjr s LEU 80 CO 0.28 -0.99 1.58 2.29 0.23 0.00 0.00 176.35 179.75 3kjr n LYS 81 N 6.93 2.23 -1.32 1.70 -0.00 -1.26 -2.61 118.16 123.83 3kjr n LYS 81 Ca 0.18 0.80 -0.05 0.00 -0.00 0.00 0.00 58.31 59.25 3kjr n LYS 81 Cb 0.41 -2.57 -0.02 0.00 -0.00 0.00 0.00 35.03 32.85 3kjr n LYS 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3kjr n ASN 82 N 3.33 -3.35 -3.94 -5.58 3.02 -1.26 -5.03 115.26 102.45 3kjr n ASN 82 Ca 0.16 0.10 -0.10 0.00 -0.03 0.00 0.00 54.58 54.72 3kjr n ASN 82 Cb 0.30 -1.55 -0.10 0.00 -0.61 0.00 0.00 39.78 37.81 3kjr n ASN 82 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3kjr s ARG 83 N -2.75 0.44 -0.30 3.52 0.52 -1.07 -4.51 118.95 114.79 3kjr s ARG 83 Ca 0.00 -0.60 -0.28 0.00 -0.52 0.00 0.00 55.73 54.33 3kjr s ARG 83 Cb 0.00 0.17 0.01 0.00 0.52 0.00 0.00 34.95 35.65 3kjr s ARG 83 CO 0.00 -0.09 1.02 0.42 0.02 0.00 0.00 175.30 176.67 3kjr s ILE 84 N -1.78 4.59 -0.18 1.52 1.01 0.42 -4.74 121.20 122.04 3kjr s ILE 84 Ca -0.12 1.70 -0.16 0.00 0.00 0.00 0.00 60.65 62.07 3kjr s ILE 84 Cb -0.07 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 3kjr s ILE 84 CO -0.01 -0.39 0.39 0.20 0.00 0.00 0.00 174.94 175.13 3kjr s ASN 85 N 1.57 6.47 -0.06 3.58 0.02 -1.26 -0.05 114.94 125.21 3kjr s ASN 85 Ca 0.43 0.56 0.03 0.00 -1.02 0.00 0.00 52.86 52.85 3kjr s ASN 85 Cb -0.13 -2.23 0.01 0.00 0.02 0.00 0.00 41.25 38.92 3kjr s ASN 85 CO 0.13 -0.04 -0.14 -0.69 0.02 0.00 0.00 177.10 176.39 3kjr s VAL 86 N 1.07 1.22 0.01 1.60 1.01 0.36 -1.78 120.40 123.90 3kjr s VAL 86 Ca 0.20 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.69 3kjr s VAL 86 Cb -0.14 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 3kjr s VAL 86 CO 0.08 0.37 -0.21 -0.51 0.00 0.00 0.00 175.10 174.83 3kjr s ILE 87 N 0.46 1.65 -0.02 2.22 2.07 0.06 -0.99 121.20 126.64 3kjr s ILE 87 Ca -0.11 -1.04 0.05 0.00 -1.41 0.00 0.00 60.65 58.14 3kjr s ILE 87 Cb -0.14 -1.41 -0.03 0.00 0.13 0.00 0.00 42.46 41.02 3kjr s ILE 87 CO 0.03 0.33 -0.18 -0.76 -1.91 0.00 0.00 174.94 172.46 3kjr s LEU 88 N -0.84 2.53 -0.25 8.50 1.43 -0.32 -2.34 118.68 127.40 3kjr s LEU 88 Ca 0.08 -0.31 -0.28 0.00 -1.03 0.00 0.00 54.13 52.59 3kjr s LEU 88 Cb -0.08 -1.49 0.15 0.00 0.03 0.00 0.00 46.19 44.80 3kjr s LEU 88 CO 0.01 0.32 1.18 -0.55 0.23 0.00 0.00 176.35 177.54 3kjr s SER 89 N -0.84 -0.24 0.00 2.29 0.15 -1.08 -1.99 113.70 111.99 3kjr s SER 89 Ca 0.12 0.36 0.20 0.00 0.70 0.00 0.00 55.95 57.33 3kjr s SER 89 Cb -0.10 0.33 0.53 0.00 -1.71 0.00 0.00 66.02 65.07 3kjr s SER 89 CO 0.01 -0.16 1.44 -2.11 1.20 0.00 0.00 173.24 173.62 3kjr n ARG 90 N 1.20 2.26 0.00 5.44 0.00 -1.26 -4.29 116.66 120.00 3kjr n ARG 90 Ca -0.08 -1.92 0.00 0.00 -0.00 0.00 0.00 57.85 55.84 3kjr n ARG 90 Cb 0.57 -1.46 0.00 0.00 -0.00 0.00 0.00 32.46 31.58 3kjr n ARG 90 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3kjr n THR 91 N 1.10 0.06 -2.48 8.89 -2.24 -1.26 -5.09 114.28 113.26 3kjr n THR 91 Ca 0.19 0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.59 3kjr n THR 91 Cb 0.49 -1.32 -0.04 0.00 -2.10 0.00 0.00 70.33 67.36 3kjr n THR 91 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kjr s VAL 92 N -2.00 3.50 0.00 2.28 0.11 -1.26 -5.02 120.40 118.01 3kjr s VAL 92 Ca 0.00 1.48 0.00 0.00 -2.93 0.00 0.00 61.98 60.53 3kjr s VAL 92 Cb 0.00 -3.93 0.00 0.00 -1.53 0.00 0.00 36.38 30.92 3kjr s VAL 92 CO 0.00 0.33 0.17 2.29 -3.33 0.00 0.00 175.10 174.56 3kjr n LYS 93 N 1.08 0.00 -3.79 1.54 -0.00 -1.26 -4.86 118.16 110.87 3kjr n LYS 93 Ca -0.01 0.37 -0.13 0.00 -0.00 0.00 0.00 58.31 58.55 3kjr n LYS 93 Cb 0.45 -0.97 -0.10 0.00 -0.00 0.00 0.00 35.03 34.41 3kjr n LYS 93 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3kjr s GLU 94 N -1.09 0.52 -0.09 -1.58 0.41 -1.26 -4.92 118.70 110.70 3kjr s GLU 94 Ca 0.00 -0.04 0.03 0.00 -0.41 0.00 0.00 54.97 54.55 3kjr s GLU 94 Cb 0.00 0.23 -0.01 0.00 -1.78 0.00 0.00 34.13 32.57 3kjr s GLU 94 CO 0.00 -0.12 -0.18 0.08 -0.49 0.00 0.00 175.26 174.55 3kjr s VAL 95 N -0.85 2.68 -0.76 2.63 1.01 -1.26 -5.05 120.40 118.80 3kjr s VAL 95 Ca -0.09 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 3kjr s VAL 95 Cb -0.05 -2.07 -0.18 0.00 0.00 0.00 0.00 36.38 34.09 3kjr s VAL 95 CO 0.02 0.55 2.01 -2.65 0.00 0.00 0.00 175.10 175.03 3kjr n PRO 96 N 3.12 0.00 -2.16 2.72 -0.02 -1.26 -1.54 135.00 135.86 3kjr n PRO 96 Ca -0.18 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.22 3kjr n PRO 96 Cb 0.52 -1.09 -0.00 0.00 -0.02 0.00 0.00 33.50 32.91 3kjr n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kjr n GLY 97 N 4.86 0.03 2.93 -1.23 0.00 -1.26 -4.84 105.19 105.67 3kjr n GLY 97 Ca 0.51 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 3kjr n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kjr s LEU 99 N 0.42 4.35 -0.10 0.00 1.43 -0.73 -4.23 118.68 119.81 3kjr s LEU 99 Ca -0.03 2.09 0.03 0.00 -1.03 0.00 0.00 54.13 55.19 3kjr s LEU 99 Cb -0.05 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 3kjr s LEU 99 CO -0.02 -0.57 -0.20 -0.69 0.23 0.00 0.00 176.35 175.10 3kjr s VAL 100 N 1.44 2.46 0.12 -1.59 1.01 -1.26 -0.76 120.40 121.82 3kjr s VAL 100 Ca 0.61 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.76 3kjr s VAL 100 Cb -0.31 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3kjr s VAL 100 CO 0.28 0.55 -0.14 -0.31 0.00 0.00 0.00 175.10 175.48 3kjr s TYR 101 N 0.24 1.38 -0.02 5.22 2.02 -0.99 -5.00 117.35 120.21 3kjr s TYR 101 Ca -0.13 -0.55 -0.23 0.00 -0.37 0.00 0.00 57.07 55.79 3kjr s TYR 101 Cb -0.16 -0.73 -0.16 0.00 -0.40 0.00 0.00 41.96 40.51 3kjr s TYR 101 CO 0.07 0.13 1.05 1.05 -1.57 0.00 0.00 175.55 176.28 3kjr h GLU 102 N 3.59 -0.30 -4.99 -0.62 4.11 -1.90 -2.85 114.58 111.62 3kjr h GLU 102 Ca -0.40 0.02 -0.43 0.00 0.07 0.00 0.00 59.36 58.62 3kjr h GLU 102 Cb 1.19 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.37 3kjr h GLU 102 CO 0.50 0.07 -0.58 0.16 0.07 0.00 0.00 179.01 179.22 3kjr s ASP 103 N -5.28 1.81 0.05 3.06 -4.77 -1.26 -3.96 116.67 106.33 3kjr s ASP 103 Ca -0.13 -1.47 -0.18 0.00 -3.30 0.00 0.00 52.55 47.46 3kjr s ASP 103 Cb 0.01 0.21 -0.14 0.00 -1.09 0.00 0.00 42.92 41.91 3kjr s ASP 103 CO 0.51 -0.77 1.31 0.25 0.70 0.00 0.00 175.17 177.16 3kjr h LEU 104 N 2.18 0.54 -0.66 2.11 5.85 -1.99 -2.12 115.31 121.22 3kjr h LEU 104 Ca -0.37 -0.54 0.14 0.00 0.84 0.00 0.00 57.88 57.94 3kjr h LEU 104 Cb 1.25 -0.15 -0.12 0.00 0.37 0.00 0.00 40.66 42.01 3kjr h LEU 104 CO 0.60 0.98 -0.10 -1.28 -0.34 0.00 0.00 178.44 178.30 3kjr h SER 105 N 0.11 -0.50 0.33 1.25 0.87 -1.99 -1.59 113.55 112.03 3kjr h SER 105 Ca 0.01 0.19 -0.19 0.00 -1.23 0.00 0.00 61.79 60.56 3kjr h SER 105 Cb 0.88 0.37 -0.00 0.00 -0.44 0.00 0.00 62.40 63.21 3kjr h SER 105 CO 0.07 -0.19 -0.79 0.74 -0.53 0.00 0.00 176.83 176.13 3kjr h THR 106 N 0.04 1.40 -0.23 2.23 2.02 -1.99 -3.24 112.91 113.13 3kjr h THR 106 Ca 0.33 -2.27 0.01 0.00 0.77 0.00 0.00 66.41 65.26 3kjr h THR 106 Cb 0.53 2.22 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 3kjr h THR 106 CO -0.64 0.68 0.11 0.00 0.37 0.00 0.00 175.52 176.04 3kjr h ALA 107 N 0.91 0.28 -0.31 6.16 0.00 -0.61 -2.11 119.26 123.59 3kjr h ALA 107 Ca -0.04 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3kjr h ALA 107 Cb 1.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3kjr h ALA 107 CO 0.13 -0.29 0.05 0.82 0.00 0.00 0.00 179.25 179.96 3kjr h ILE 108 N 0.24 1.24 -0.67 0.00 1.08 -1.44 -2.43 117.51 115.54 3kjr h ILE 108 Ca 0.10 -0.82 -0.05 0.00 -0.39 0.00 0.00 64.86 63.70 3kjr h ILE 108 Cb 0.03 1.17 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 3kjr h ILE 108 CO -0.07 0.27 0.21 0.03 -0.69 0.00 0.00 178.15 177.91 3kjr h ARG 109 N 0.34 1.01 -0.45 2.37 3.08 -1.57 -1.39 114.38 117.77 3kjr h ARG 109 Ca 0.09 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 3kjr h ARG 109 Cb 0.35 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3kjr h ARG 109 CO 0.01 0.86 -0.14 0.22 -1.07 0.00 0.00 179.97 179.85 3kjr h ASP 110 N 0.98 0.84 -0.28 7.04 3.58 -1.29 -1.53 116.42 125.76 3kjr h ASP 110 Ca 0.22 -0.27 -0.12 0.00 0.42 0.00 0.00 57.03 57.27 3kjr h ASP 110 Cb 0.27 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.09 3kjr h ASP 110 CO -0.01 0.99 -0.30 -0.07 -2.88 0.00 0.00 179.24 176.97 3kjr h LEU 111 N 0.75 0.75 -0.16 2.28 3.38 -1.24 -2.13 115.31 118.94 3kjr h LEU 111 Ca 0.12 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3kjr h LEU 111 Cb 0.65 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3kjr h LEU 111 CO 0.05 1.07 0.00 0.03 0.09 0.00 0.00 178.44 179.68 3kjr h ARG 112 N 0.43 0.00 0.00 1.13 3.08 -1.17 -1.04 114.38 116.82 3kjr h ARG 112 Ca 0.04 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.72 3kjr h ARG 112 Cb 0.87 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.85 3kjr h ARG 112 CO 0.07 0.00 -2.34 0.00 -1.07 0.00 0.00 179.97 176.63 3kjr n ALA 113 N -2.04 1.46 -0.06 0.04 0.00 -0.58 -4.83 120.51 114.49 3kjr n ALA 113 Ca 0.04 -1.20 -0.11 0.00 0.00 0.00 0.00 53.44 52.17 3kjr n ALA 113 Cb 0.49 -0.23 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 3kjr n ALA 113 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kjr n ASN 114 N -2.94 2.31 -4.57 0.00 3.02 -0.80 -5.01 115.26 107.26 3kjr n ASN 114 Ca -0.35 0.01 -0.40 0.00 -0.03 0.00 0.00 54.58 53.81 3kjr n ASN 114 Cb 1.10 -0.27 -0.10 0.00 -0.61 0.00 0.00 39.78 39.91 3kjr n ASN 114 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kjr s VAL 115 N -2.25 5.21 -0.07 2.41 1.01 -0.40 -5.03 120.40 121.28 3kjr s VAL 115 Ca -0.18 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 3kjr s VAL 115 Cb 0.05 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 3kjr s VAL 115 CO 0.27 0.06 2.06 -0.81 0.00 0.00 0.00 175.10 176.69 3kjr n PRO 116 N 5.27 2.46 -4.01 2.72 -0.04 -1.26 -4.58 135.00 135.56 3kjr n PRO 116 Ca -0.10 0.83 -0.10 0.00 -0.04 0.00 0.00 63.50 64.10 3kjr n PRO 116 Cb 0.50 -3.05 -0.06 0.00 -0.04 0.00 0.00 33.50 30.85 3kjr n PRO 116 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3kjr s HIS 117 N 5.87 0.46 -0.07 0.54 -3.43 -1.26 -4.61 115.29 112.79 3kjr s HIS 117 Ca 0.94 -0.80 -0.06 0.00 -0.80 0.00 0.00 55.06 54.33 3kjr s HIS 117 Cb -0.43 0.04 -0.02 0.00 -1.43 0.00 0.00 32.58 30.74 3kjr s HIS 117 CO 0.41 -0.89 -0.12 -1.71 -2.00 0.00 0.00 174.74 170.42 3kjr n ASN 118 N -0.33 0.86 -3.97 7.38 5.15 -0.46 -4.91 115.26 118.98 3kjr n ASN 118 Ca -0.02 0.27 -0.11 0.00 -0.60 0.00 0.00 54.58 54.12 3kjr n ASN 118 Cb 0.63 -0.64 -0.12 0.00 -0.53 0.00 0.00 39.78 39.12 3kjr n ASN 118 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3kjr s LYS 119 N -1.73 0.29 -0.21 1.20 2.20 -1.26 -5.01 119.74 115.21 3kjr s LYS 119 Ca -0.10 -0.46 -0.09 0.00 -0.36 0.00 0.00 55.97 54.95 3kjr s LYS 119 Cb 0.01 -0.04 -0.05 0.00 -1.51 0.00 0.00 37.83 36.25 3kjr s LYS 119 CO 0.15 -0.00 0.12 0.42 -0.36 0.00 0.00 175.35 175.68 3kjr s ILE 120 N -0.99 5.21 -0.05 5.43 1.01 -1.26 -0.30 121.20 130.26 3kjr s ILE 120 Ca -0.10 0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.73 3kjr s ILE 120 Cb -0.07 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 3kjr s ILE 120 CO -0.00 0.41 -0.19 -0.36 0.00 0.00 0.00 174.94 174.80 3kjr s PHE 121 N 0.63 2.57 -0.35 3.97 0.08 0.40 -2.69 117.98 122.60 3kjr s PHE 121 Ca 0.07 -0.31 -0.10 0.00 0.12 0.00 0.00 56.93 56.71 3kjr s PHE 121 Cb -0.12 -1.60 0.02 0.00 -0.57 0.00 0.00 43.02 40.75 3kjr s PHE 121 CO 0.01 0.07 0.17 0.42 -0.10 0.00 0.00 175.22 175.79 3kjr s ILE 122 N -0.60 4.47 -1.24 0.64 -1.09 0.21 -1.07 121.20 122.53 3kjr s ILE 122 Ca 0.09 -0.75 0.12 0.00 -2.23 0.00 0.00 60.65 57.87 3kjr s ILE 122 Cb -0.11 -3.43 0.22 0.00 -1.58 0.00 0.00 42.46 37.56 3kjr s ILE 122 CO 0.01 -0.12 1.08 0.18 -1.23 0.00 0.00 174.94 174.85 3kjr n LEU 123 N 4.97 2.52 0.00 2.97 4.77 -0.09 -1.98 117.00 130.16 3kjr n LEU 123 Ca -0.13 -1.52 0.00 0.00 -0.03 0.00 0.00 56.01 54.34 3kjr n LEU 123 Cb 0.47 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3kjr n LEU 123 CO 0.35 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 3kjr n GLY 124 N 0.63 2.49 0.18 -0.72 0.00 -1.25 -4.95 105.19 101.59 3kjr n GLY 124 Ca 0.10 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3kjr n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kjr n GLY 125 N -1.70 -0.09 0.40 -0.02 0.00 -1.26 -1.41 105.19 101.10 3kjr n GLY 125 Ca 0.00 -1.02 0.20 0.00 0.00 0.00 0.00 46.02 45.20 3kjr n GLY 125 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3kjr h SER 126 N 0.00 0.50 -0.28 1.61 0.02 -1.98 0.15 113.55 113.57 3kjr h SER 126 Ca 0.00 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3kjr h SER 126 Cb 0.00 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3kjr h SER 126 CO 0.00 0.14 0.16 -0.26 -1.14 0.00 0.00 176.83 175.73 3kjr h PHE 127 N 0.47 0.38 -0.16 3.45 0.04 -1.92 -0.17 116.94 119.02 3kjr h PHE 127 Ca 0.56 -0.01 -0.20 0.00 2.80 0.00 0.00 57.97 61.13 3kjr h PHE 127 Cb 1.30 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.33 3kjr h PHE 127 CO -0.00 0.30 -0.69 1.25 -0.60 0.00 0.00 178.31 178.56 3kjr h LEU 128 N 0.34 0.78 -0.58 1.54 5.85 -1.55 -2.78 115.31 118.92 3kjr h LEU 128 Ca 0.10 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.36 3kjr h LEU 128 Cb 0.04 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3kjr h LEU 128 CO -0.02 1.26 0.35 1.88 -0.34 0.00 0.00 178.44 181.56 3kjr h TYR 129 N 0.48 0.64 0.17 1.25 0.05 -0.68 -2.84 116.97 116.04 3kjr h TYR 129 Ca -0.03 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3kjr h TYR 129 Cb 1.29 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.80 3kjr h TYR 129 CO 0.07 0.36 -0.30 -0.22 -1.05 0.00 0.00 178.16 177.02 3kjr h LYS 130 N 0.68 -0.53 -0.52 4.88 1.63 -0.93 -1.33 116.57 120.45 3kjr h LYS 130 Ca 0.24 0.04 0.04 0.00 -0.85 0.00 0.00 60.65 60.11 3kjr h LYS 130 Cb 0.04 0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.75 3kjr h LYS 130 CO -0.11 -0.35 0.28 1.49 -3.45 0.00 0.00 179.45 177.31 3kjr h GLU 131 N -0.55 0.53 -0.25 1.90 4.81 -1.49 0.11 114.58 119.65 3kjr h GLU 131 Ca 0.02 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3kjr h GLU 131 Cb 0.55 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3kjr h GLU 131 CO -0.14 0.35 0.15 0.28 -0.73 0.00 0.00 179.01 178.92 3kjr h VAL 132 N 0.55 1.10 -0.04 0.32 2.07 -1.32 -2.81 116.25 116.12 3kjr h VAL 132 Ca 0.22 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 3kjr h VAL 132 Cb 0.10 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3kjr h VAL 132 CO -0.14 0.10 -0.32 -0.07 0.02 0.00 0.00 177.57 177.16 3kjr h LEU 133 N 0.31 0.36 -2.13 2.57 3.38 -1.06 -0.85 115.31 117.89 3kjr h LEU 133 Ca 0.09 -0.69 0.08 0.00 0.09 0.00 0.00 57.88 57.45 3kjr h LEU 133 Cb 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3kjr h LEU 133 CO -0.02 0.99 0.25 0.44 0.09 0.00 0.00 178.44 180.19 3kjr h ASP 134 N -0.24 0.00 0.00 -0.43 3.32 -0.73 -2.59 116.42 115.76 3kjr h ASP 134 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3kjr h ASP 134 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3kjr h ASP 134 CO 0.07 0.00 -1.61 0.59 -1.72 0.00 0.00 179.24 176.56 3kjr n ASN 135 N -3.97 0.87 -0.01 6.45 3.02 -1.06 -5.01 115.26 115.53 3kjr n ASN 135 Ca 0.03 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 3kjr n ASN 135 Cb 0.39 1.65 0.00 0.00 -0.61 0.00 0.00 39.78 41.21 3kjr n ASN 135 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kjr n GLY 136 N 1.46 1.51 0.38 7.41 0.00 -0.98 -5.01 105.19 109.97 3kjr n GLY 136 Ca -0.02 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.91 3kjr n GLY 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kjr n LEU 137 N -0.01 1.29 -4.39 0.99 4.77 -0.34 -4.82 117.00 114.49 3kjr n LEU 137 Ca 0.00 -0.39 -0.33 0.00 -0.03 0.00 0.00 56.01 55.25 3kjr n LEU 137 Cb 0.13 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.03 3kjr n LEU 137 CO 0.00 0.22 -0.41 0.00 -1.33 0.00 0.00 177.39 175.87 3kjr n ASP 139 N 3.77 0.62 -3.68 0.00 9.92 -1.15 -4.84 116.55 121.19 3kjr n ASP 139 Ca -0.18 -0.46 -0.09 0.00 -0.53 0.00 0.00 54.79 53.52 3kjr n ASP 139 Cb 0.52 1.49 -0.10 0.00 -0.64 0.00 0.00 41.12 42.39 3kjr n ASP 139 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3kjr s LYS 140 N -3.15 0.47 -0.19 -1.24 2.20 -1.26 -2.37 119.74 114.19 3kjr s LYS 140 Ca -0.00 0.91 0.01 0.00 -0.36 0.00 0.00 55.97 56.53 3kjr s LYS 140 Cb 0.14 0.04 0.03 0.00 -1.51 0.00 0.00 37.83 36.53 3kjr s LYS 140 CO 0.83 -0.16 -0.16 0.42 -0.36 0.00 0.00 175.35 175.92 3kjr s ILE 141 N 1.53 1.89 -0.41 5.43 1.01 -0.12 -1.63 121.20 128.90 3kjr s ILE 141 Ca -0.09 -0.97 -0.21 0.00 0.00 0.00 0.00 60.65 59.38 3kjr s ILE 141 Cb -0.08 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.61 3kjr s ILE 141 CO -0.15 0.38 0.67 -0.31 0.00 0.00 0.00 174.94 175.53 3kjr s TYR 142 N 1.33 3.08 -0.11 3.97 1.51 -0.25 -0.65 117.35 126.23 3kjr s TYR 142 Ca 0.02 0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.23 3kjr s TYR 142 Cb -0.14 -3.34 0.00 0.00 -0.11 0.00 0.00 41.96 38.37 3kjr s TYR 142 CO -0.11 -0.81 -0.23 -1.17 -1.11 0.00 0.00 175.55 172.12 3kjr s LEU 143 N 2.87 2.06 -0.28 -1.29 0.20 0.16 -2.14 118.68 120.26 3kjr s LEU 143 Ca 0.24 -0.56 -0.22 0.00 0.69 0.00 0.00 54.13 54.29 3kjr s LEU 143 Cb -0.14 -1.38 -0.01 0.00 -0.43 0.00 0.00 46.19 44.23 3kjr s LEU 143 CO 0.18 0.13 0.70 -0.89 -0.29 0.00 0.00 176.35 176.18 3kjr s THR 144 N 0.52 4.89 -0.27 3.68 2.01 0.10 -0.91 115.64 125.66 3kjr s THR 144 Ca -0.15 1.13 -0.17 0.00 0.31 0.00 0.00 61.69 62.81 3kjr s THR 144 Cb -0.17 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 3kjr s THR 144 CO 0.05 -0.12 0.47 -0.13 -0.69 0.00 0.00 174.62 174.21 3kjr s ARG 145 N 2.71 4.03 -0.16 4.92 0.52 0.16 -0.97 118.95 130.17 3kjr s ARG 145 Ca 0.29 0.21 -0.06 0.00 -0.52 0.00 0.00 55.73 55.65 3kjr s ARG 145 Cb -0.15 -3.66 -0.04 0.00 0.52 0.00 0.00 34.95 31.62 3kjr s ARG 145 CO 0.10 -0.34 0.04 -0.51 0.02 0.00 0.00 175.30 174.62 3kjr s LEU 146 N 2.24 3.72 -0.06 2.53 1.02 -0.47 -2.02 118.68 125.64 3kjr s LEU 146 Ca 0.19 0.08 0.03 0.00 0.02 0.00 0.00 54.13 54.45 3kjr s LEU 146 Cb -0.16 -1.92 0.18 0.00 0.02 0.00 0.00 46.19 44.32 3kjr s LEU 146 CO 0.10 0.21 0.83 0.59 0.02 0.00 0.00 176.35 178.09 3kjr n ASN 147 N 3.28 2.19 -4.05 2.29 4.13 -0.62 -2.10 115.26 120.37 3kjr n ASN 147 Ca -0.17 -2.23 -0.16 0.00 1.68 0.00 0.00 54.58 53.70 3kjr n ASN 147 Cb 0.53 -0.55 -0.13 0.00 -1.54 0.00 0.00 39.78 38.09 3kjr n ASN 147 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3kjr s LYS 148 N -1.34 0.64 0.27 3.52 2.20 -1.26 -4.70 119.74 119.07 3kjr s LYS 148 Ca 0.12 -0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 54.89 3kjr s LYS 148 Cb 0.10 -0.56 -0.09 0.00 -1.51 0.00 0.00 37.83 35.77 3kjr s LYS 148 CO 0.03 0.13 0.98 -1.21 -0.36 0.00 0.00 175.35 174.93 3kjr s GLU 149 N -0.92 4.73 0.06 4.03 2.02 -1.26 -1.57 118.70 125.79 3kjr s GLU 149 Ca -0.02 1.54 0.06 0.00 0.02 0.00 0.00 54.97 56.57 3kjr s GLU 149 Cb -0.07 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 30.99 3kjr s GLU 149 CO 0.00 0.38 -0.17 0.71 0.02 0.00 0.00 175.26 176.20 3kjr s TYR 150 N -1.27 1.49 0.34 1.61 1.51 -1.26 -4.94 117.35 114.83 3kjr s TYR 150 Ca 0.44 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.83 3kjr s TYR 150 Cb -0.26 -0.86 -0.11 0.00 -0.11 0.00 0.00 41.96 40.61 3kjr s TYR 150 CO 0.33 0.09 1.50 -2.30 -1.11 0.00 0.00 175.55 174.05 3kjr n PRO 151 N 1.63 2.60 -3.86 -1.71 -0.02 -1.26 -4.79 135.00 127.59 3kjr n PRO 151 Ca -0.19 0.92 -0.01 0.00 -2.02 0.00 0.00 63.50 62.20 3kjr n PRO 151 Cb 0.54 -2.64 0.01 0.00 -0.02 0.00 0.00 33.50 31.39 3kjr n PRO 151 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3kjr s GLY 152 N 0.05 -0.06 0.00 -1.23 0.00 -1.26 -4.66 107.32 100.15 3kjr s GLY 152 Ca 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.25 3kjr s GLY 152 CO 0.59 2.65 0.10 2.09 0.00 0.00 0.00 173.10 178.53 3kjr n ASP 153 N -0.99 0.20 -4.13 1.64 5.68 0.10 -4.95 116.55 114.10 3kjr n ASP 153 Ca -0.02 -0.69 -0.27 0.00 -0.50 0.00 0.00 54.79 53.30 3kjr n ASP 153 Cb 0.60 0.11 -0.16 0.00 -1.14 0.00 0.00 41.12 40.53 3kjr n ASP 153 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3kjr s THR 154 N -0.11 1.54 0.08 2.12 2.01 -0.90 -5.01 115.64 115.36 3kjr s THR 154 Ca 0.00 -0.74 0.06 0.00 0.31 0.00 0.00 61.69 61.31 3kjr s THR 154 Cb 0.00 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 3kjr s THR 154 CO 0.00 0.44 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.91 3kjr s TYR 155 N 0.27 1.30 0.03 4.92 1.51 -1.26 -0.44 117.35 123.68 3kjr s TYR 155 Ca -0.10 -0.48 -0.29 0.00 -1.01 0.00 0.00 57.07 55.19 3kjr s TYR 155 Cb -0.14 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 3kjr s TYR 155 CO 0.04 0.09 0.92 0.12 -1.11 0.00 0.00 175.55 175.61 3kjr s PHE 156 N -1.45 3.70 0.83 2.71 5.36 -0.04 -4.66 117.98 124.43 3kjr s PHE 156 Ca 0.01 1.65 -0.11 0.00 -0.96 0.00 0.00 56.93 57.52 3kjr s PHE 156 Cb -0.09 -3.03 0.10 0.00 -0.34 0.00 0.00 43.02 39.66 3kjr s PHE 156 CO 0.03 0.10 1.13 -2.14 -1.46 0.00 0.00 175.22 172.88 3kjr s PRO 157 N 0.56 1.66 0.46 10.12 0.02 -1.26 -4.94 135.00 141.62 3kjr s PRO 157 Ca 0.47 1.43 -0.24 0.00 0.02 0.00 0.00 61.00 62.68 3kjr s PRO 157 Cb -0.21 -1.81 -0.09 0.00 0.02 0.00 0.00 34.50 32.41 3kjr s PRO 157 CO 0.27 -2.13 1.15 -0.25 -0.33 0.00 0.00 177.00 175.71 3kjr n ASP 158 N -3.74 1.91 -4.67 2.53 8.00 -1.26 -4.95 116.55 114.37 3kjr n ASP 158 Ca 0.11 1.03 -0.40 0.00 0.71 0.00 0.00 54.79 56.24 3kjr n ASP 158 Cb 0.52 -1.45 -0.06 0.00 -0.02 0.00 0.00 41.12 40.12 3kjr n ASP 158 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kjr s ILE 159 N -1.27 5.03 0.55 0.53 1.01 -1.26 -5.01 121.20 120.77 3kjr s ILE 159 Ca 0.65 1.22 -0.21 0.00 0.00 0.00 0.00 60.65 62.31 3kjr s ILE 159 Cb -0.50 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 3kjr s ILE 159 CO 0.55 0.14 1.22 -2.65 0.00 0.00 0.00 174.94 174.20 3kjr n PRO 160 N 4.82 1.42 0.00 2.79 -0.02 -1.26 -4.81 135.00 137.94 3kjr n PRO 160 Ca -0.01 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3kjr n PRO 160 Cb 0.50 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3kjr n PRO 160 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3kjr n ASP 161 N -0.81 0.00 0.11 2.55 5.68 -1.26 -1.16 116.55 121.66 3kjr n ASP 161 Ca 0.11 0.30 0.13 0.00 -0.50 0.00 0.00 54.79 54.83 3kjr n ASP 161 Cb 0.45 -0.30 0.44 0.00 -1.14 0.00 0.00 41.12 40.57 3kjr n ASP 161 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3kjr n THR 162 N -1.28 0.68 -3.84 2.12 -2.24 -1.26 -4.83 114.28 103.64 3kjr n THR 162 Ca 0.00 -0.08 -0.27 0.00 -2.27 0.00 0.00 64.05 61.43 3kjr n THR 162 Cb 0.04 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 67.43 3kjr n THR 162 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3kjr s PHE 163 N -3.19 3.48 0.05 4.78 0.40 -0.31 0.11 117.98 123.31 3kjr s PHE 163 Ca 0.08 0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.63 3kjr s PHE 163 Cb 0.11 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 3kjr s PHE 163 CO 0.52 0.46 -0.05 -1.83 0.70 0.00 0.00 175.22 175.01 3kjr s GLU 164 N -3.28 0.53 -0.03 0.44 -1.05 -0.36 -4.85 118.70 110.10 3kjr s GLU 164 Ca 0.36 -0.92 -0.30 0.00 -0.15 0.00 0.00 54.97 53.96 3kjr s GLU 164 Cb -0.11 -0.02 -0.05 0.00 -0.44 0.00 0.00 34.13 33.52 3kjr s GLU 164 CO 0.29 -0.04 1.42 0.42 0.95 0.00 0.00 175.26 178.30 3kjr s ILE 165 N -2.43 3.78 -0.67 1.83 1.01 -1.26 -0.73 121.20 122.73 3kjr s ILE 165 Ca -0.04 1.10 0.09 0.00 0.00 0.00 0.00 60.65 61.80 3kjr s ILE 165 Cb -0.03 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 3kjr s ILE 165 CO -0.04 -0.03 0.51 0.35 0.00 0.00 0.00 174.94 175.73 3kjr n THR 166 N 4.90 0.00 -3.70 2.92 -2.24 0.65 -3.82 114.28 112.99 3kjr n THR 166 Ca 0.14 -0.35 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 3kjr n THR 166 Cb 0.44 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 69.63 3kjr n THR 166 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kjr s ALA 167 N -1.58 -1.17 -0.06 6.98 0.00 -1.19 -0.49 121.76 124.25 3kjr s ALA 167 Ca 0.06 1.44 -0.00 0.00 0.00 0.00 0.00 51.96 53.46 3kjr s ALA 167 Cb 0.07 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.37 3kjr s ALA 167 CO 0.30 -0.24 -0.02 0.42 0.00 0.00 0.00 175.76 176.22 3kjr s ILE 168 N 0.66 0.46 1.19 0.00 1.01 -0.35 -1.74 121.20 122.43 3kjr s ILE 168 Ca -0.03 0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.48 3kjr s ILE 168 Cb -0.05 -0.56 0.28 0.00 0.01 0.00 0.00 42.46 42.14 3kjr s ILE 168 CO -0.04 0.25 1.04 -0.94 0.00 0.00 0.00 174.94 175.24 3kjr s SER 169 N 1.58 0.92 0.88 3.58 1.04 0.57 -1.51 113.70 120.76 3kjr s SER 169 Ca -0.01 1.11 -0.10 0.00 0.48 0.00 0.00 55.95 57.43 3kjr s SER 169 Cb -0.13 -1.69 0.12 0.00 0.10 0.00 0.00 66.02 64.42 3kjr s SER 169 CO -0.04 -4.18 1.12 -2.84 0.98 0.00 0.00 173.24 168.28 3kjr s PRO 170 N -4.88 1.33 0.26 4.02 0.02 -1.21 -2.93 135.00 131.60 3kjr s PRO 170 Ca 0.68 1.32 -0.29 0.00 0.02 0.00 0.00 61.00 62.73 3kjr s PRO 170 Cb -0.18 -1.78 -0.09 0.00 0.02 0.00 0.00 34.50 32.46 3kjr s PRO 170 CO 0.60 -2.34 1.02 0.99 -0.33 0.00 0.00 177.00 176.94 3kjr s THR 171 N -2.75 3.79 0.36 0.99 2.01 -1.26 -4.56 115.64 114.23 3kjr s THR 171 Ca 0.65 1.79 0.05 0.00 0.31 0.00 0.00 61.69 64.48 3kjr s THR 171 Cb -0.21 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.11 3kjr s THR 171 CO 0.58 0.41 0.05 -0.36 -0.69 0.00 0.00 174.62 174.60 3kjr s PHE 172 N -1.19 2.12 0.02 4.92 0.08 -0.05 -4.52 117.98 119.36 3kjr s PHE 172 Ca 0.43 -0.89 -0.18 0.00 0.12 0.00 0.00 56.93 56.42 3kjr s PHE 172 Cb -0.28 -1.44 0.03 0.00 -0.57 0.00 0.00 43.02 40.76 3kjr s PHE 172 CO 0.36 0.13 0.39 -1.54 -0.10 0.00 0.00 175.22 174.47 3kjr s SER 173 N -3.57 -0.27 0.22 1.36 1.04 -1.15 -1.55 113.70 109.78 3kjr s SER 173 Ca 0.34 0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.87 3kjr s SER 173 Cb 0.09 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.62 3kjr s SER 173 CO 0.16 -0.59 0.17 0.35 0.98 0.00 0.00 173.24 174.31 3kjr n THR 174 N 0.79 0.00 0.29 2.02 -2.24 0.29 -5.00 114.28 110.43 3kjr n THR 174 Ca -0.20 -0.88 0.13 0.00 -2.27 0.00 0.00 64.05 60.83 3kjr n THR 174 Cb 0.58 -0.31 0.62 0.00 -2.10 0.00 0.00 70.33 69.13 3kjr n THR 174 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3kjr h ASP 175 N 0.27 0.00 0.00 3.42 3.32 -2.01 -3.30 116.42 118.12 3kjr h ASP 175 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3kjr h ASP 175 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3kjr h ASP 175 CO 0.22 0.00 0.00 2.22 -1.72 0.00 0.00 179.24 179.96 3kjr n PHE 176 N -2.42 0.00 -3.55 4.55 1.16 -1.26 -5.08 117.46 110.86 3kjr n PHE 176 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.43 3kjr n PHE 176 Cb 0.14 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.95 3kjr n PHE 176 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3kjr s VAL 177 N -0.74 0.00 0.10 1.97 0.11 -1.24 -5.03 120.40 115.57 3kjr s VAL 177 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 3kjr s VAL 177 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 3kjr s VAL 177 CO 0.00 0.00 0.13 -0.94 -3.33 0.00 0.00 175.10 170.96 3kjr s SER 178 N -0.90 5.69 0.13 3.54 1.04 -1.26 -0.54 113.70 121.39 3kjr s SER 178 Ca -0.07 0.01 -0.25 0.00 0.48 0.00 0.00 55.95 56.12 3kjr s SER 178 Cb -0.01 -1.56 0.07 0.00 0.10 0.00 0.00 66.02 64.62 3kjr s SER 178 CO 0.06 0.14 0.79 -0.72 0.98 0.00 0.00 173.24 174.48 3kjr s TYR 179 N -1.52 -0.32 0.34 5.02 -0.85 -0.60 -1.59 117.35 117.83 3kjr s TYR 179 Ca 0.31 0.07 -0.07 0.00 -0.52 0.00 0.00 57.07 56.85 3kjr s TYR 179 Cb -0.12 0.60 0.01 0.00 0.38 0.00 0.00 41.96 42.84 3kjr s TYR 179 CO 0.24 -0.83 0.55 0.16 -1.52 0.00 0.00 175.55 174.15 3kjr s ASP 180 N -2.75 0.55 -0.10 -0.18 1.47 -0.85 -0.87 116.67 113.94 3kjr s ASP 180 Ca 0.07 -1.32 0.01 0.00 1.18 0.00 0.00 52.55 52.49 3kjr s ASP 180 Cb -0.02 0.70 -0.02 0.00 -0.34 0.00 0.00 42.92 43.24 3kjr s ASP 180 CO -0.05 -1.37 -0.13 -0.36 0.68 0.00 0.00 175.17 173.95 3kjr s PHE 181 N -3.02 2.78 0.17 2.11 0.08 -1.26 -0.67 117.98 118.18 3kjr s PHE 181 Ca 0.26 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 56.97 3kjr s PHE 181 Cb -0.02 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 3kjr s PHE 181 CO 0.17 -0.02 -0.13 0.14 -0.10 0.00 0.00 175.22 175.27 3kjr s VAL 182 N -0.14 1.52 -0.15 -0.44 -7.23 -0.09 -0.31 120.40 113.56 3kjr s VAL 182 Ca -0.01 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.11 3kjr s VAL 182 Cb -0.13 -1.88 -0.00 0.00 0.56 0.00 0.00 36.38 34.92 3kjr s VAL 182 CO 0.03 -0.58 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.45 3kjr s ILE 183 N -2.85 2.63 -0.13 -0.62 1.01 -0.71 -0.67 121.20 119.86 3kjr s ILE 183 Ca 0.18 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 3kjr s ILE 183 Cb -0.01 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3kjr s ILE 183 CO 0.04 0.52 0.12 -0.31 0.00 0.00 0.00 174.94 175.32 3kjr s TYR 184 N 0.70 3.51 0.09 3.97 2.02 0.18 -0.25 117.35 127.56 3kjr s TYR 184 Ca -0.07 0.44 0.04 0.00 -0.37 0.00 0.00 57.07 57.10 3kjr s TYR 184 Cb -0.16 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.40 3kjr s TYR 184 CO 0.01 0.61 -0.10 -1.21 -1.57 0.00 0.00 175.55 173.29 3kjr s GLU 185 N -0.71 0.81 0.21 -0.62 2.02 0.10 -0.94 118.70 119.56 3kjr s GLU 185 Ca 0.13 -1.09 -0.31 0.00 0.02 0.00 0.00 54.97 53.73 3kjr s GLU 185 Cb -0.12 -0.56 -0.10 0.00 0.10 0.00 0.00 34.13 33.46 3kjr s GLU 185 CO 0.03 0.09 1.51 1.03 0.02 0.00 0.00 175.26 177.94 3kjr s ARG 186 N -2.50 4.23 0.00 1.61 0.52 -1.00 -1.22 118.95 120.59 3kjr s ARG 186 Ca 0.03 2.34 0.00 0.00 -0.52 0.00 0.00 55.73 57.58 3kjr s ARG 186 Cb -0.05 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.29 3kjr s ARG 186 CO 0.00 -0.53 0.00 1.63 0.02 0.00 0.00 175.30 176.43 3kjr n LYS 187 N 3.18 0.00 -3.81 3.54 5.02 0.31 -4.89 118.16 121.52 3kjr n LYS 187 Ca 0.11 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.16 3kjr n LYS 187 Cb 0.39 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.23 3kjr n LYS 187 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3kjr s PRO 197 N 0.00 0.73 0.25 1.97 0.02 -1.26 -4.43 135.00 132.28 3kjr s PRO 197 Ca 0.00 0.06 -0.03 0.00 0.02 0.00 0.00 61.00 61.04 3kjr s PRO 197 Cb 0.00 -1.04 0.29 0.00 0.02 0.00 0.00 34.50 33.78 3kjr s PRO 197 CO 0.00 -0.29 1.76 0.35 -0.33 0.00 0.00 177.00 178.49 3kjr h PHE 198 N 8.25 0.93 -0.98 6.54 3.57 -2.06 -2.51 116.94 130.70 3kjr h PHE 198 Ca -0.22 -0.12 0.25 0.00 3.53 0.00 0.00 57.97 61.41 3kjr h PHE 198 Cb 1.13 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 39.53 3kjr h PHE 198 CO 0.48 0.82 0.65 -0.44 -2.23 0.00 0.00 178.31 177.59 3kjr h ASP 199 N 0.84 0.33 -0.30 0.41 3.32 -2.04 0.34 116.42 119.32 3kjr h ASP 199 Ca 0.17 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3kjr h ASP 199 Cb 0.40 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3kjr h ASP 199 CO 0.01 0.10 0.12 1.56 -1.72 0.00 0.00 179.24 179.31 3kjr h GLN 200 N 0.32 0.52 0.06 3.56 4.20 -1.87 -0.01 115.11 121.89 3kjr h GLN 200 Ca 0.52 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 59.06 3kjr h GLN 200 Cb 1.45 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 29.15 3kjr h GLN 200 CO -0.18 0.46 -0.39 -0.07 -0.67 0.00 0.00 178.83 177.97 3kjr h LEU 201 N 0.52 0.25 -1.25 1.46 3.38 -0.56 -3.36 115.31 115.73 3kjr h LEU 201 Ca 0.13 -0.94 -0.03 0.00 0.09 0.00 0.00 57.88 57.13 3kjr h LEU 201 Cb 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3kjr h LEU 201 CO -0.01 1.16 0.19 0.25 0.09 0.00 0.00 178.44 180.12 3kjr h LEU 202 N -0.63 0.64 -0.58 1.67 5.85 -0.76 -2.89 115.31 118.62 3kjr h LEU 202 Ca -0.07 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3kjr h LEU 202 Cb 1.27 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3kjr h LEU 202 CO 0.07 0.59 0.00 0.23 -0.34 0.00 0.00 178.44 178.99 3kjr n MET 203 N -4.35 1.37 0.22 1.25 2.81 -0.03 -1.55 117.12 116.84 3kjr n MET 203 Ca 0.04 -0.57 0.15 0.00 -1.81 0.00 0.00 57.70 55.51 3kjr n MET 203 Cb 0.16 -1.23 0.59 0.00 -0.71 0.00 0.00 33.22 32.03 3kjr n MET 203 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3kjr h THR 204 N 1.02 0.00 0.00 2.03 1.35 -1.66 -3.47 112.91 112.19 3kjr h THR 204 Ca 0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3kjr h THR 204 Cb 0.23 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 3kjr h THR 204 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3kjr n GLY 205 N 0.09 1.26 0.00 5.82 0.00 -0.59 -4.98 105.19 106.78 3kjr n GLY 205 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3kjr n GLY 205 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kjr n THR 206 N -2.00 0.00 -1.60 2.61 -2.24 -1.26 -5.06 114.28 104.73 3kjr n THR 206 Ca 0.00 0.00 -0.58 0.00 -2.27 0.00 0.00 64.05 61.20 3kjr n THR 206 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 3kjr n THR 206 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kjr n ASP 207 N -1.16 1.93 0.23 3.42 5.75 -1.26 -4.85 116.55 120.60 3kjr n ASP 207 Ca 0.00 0.91 0.13 0.00 -0.01 0.00 0.00 54.79 55.82 3kjr n ASP 207 Cb 0.00 -1.09 0.38 0.00 -1.03 0.00 0.00 41.12 39.38 3kjr n ASP 207 CO 0.00 0.00 0.00 0.16 -0.11 0.00 0.00 177.20 177.25 3kjr h ILE 208 N 5.81 0.17 -2.32 2.12 3.07 -1.96 -3.31 117.51 121.09 3kjr h ILE 208 Ca -0.37 -0.97 -0.66 0.00 1.55 0.00 0.00 64.86 64.42 3kjr h ILE 208 Cb 1.34 1.84 -0.38 0.00 -0.27 0.00 0.00 36.82 39.35 3kjr h ILE 208 CO 0.99 0.08 -0.17 -1.54 -1.05 0.00 0.00 178.15 176.47 3kjr n SER 209 N -3.15 5.08 -4.73 2.16 3.41 -1.26 -5.02 113.62 110.10 3kjr n SER 209 Ca 0.02 -3.61 -0.42 0.00 -0.26 0.00 0.00 58.87 54.60 3kjr n SER 209 Cb 0.46 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 3kjr n SER 209 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3kjr s VAL 210 N -3.86 3.74 0.47 -3.33 -7.23 -1.25 -4.98 120.40 103.96 3kjr s VAL 210 Ca 0.43 1.35 -0.24 0.00 -1.81 0.00 0.00 61.98 61.71 3kjr s VAL 210 Cb 0.21 -3.86 -0.08 0.00 0.56 0.00 0.00 36.38 33.21 3kjr s VAL 210 CO -0.09 0.16 1.31 -2.65 -0.31 0.00 0.00 175.10 173.53 3kjr n PRO 211 N 3.22 1.90 -1.75 4.82 -0.02 -1.26 -4.90 135.00 137.00 3kjr n PRO 211 Ca 0.07 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 3kjr n PRO 211 Cb 0.45 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.44 3kjr n PRO 211 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3kjr n LYS 212 N -0.31 2.71 -1.61 -0.52 0.00 -1.26 -4.89 118.16 112.27 3kjr n LYS 212 Ca 0.07 0.96 -0.49 0.00 -0.00 0.00 0.00 58.31 58.86 3kjr n LYS 212 Cb 0.42 -2.73 -0.04 0.00 -0.00 0.00 0.00 35.03 32.67 3kjr n LYS 212 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3kjr n PRO 213 N 1.79 1.41 -0.02 -1.58 -0.02 -1.26 -4.83 135.00 130.49 3kjr n PRO 213 Ca 0.07 0.50 0.20 0.00 -2.02 0.00 0.00 63.50 62.26 3kjr n PRO 213 Cb 0.37 -2.09 0.68 0.00 -0.02 0.00 0.00 33.50 32.45 3kjr n PRO 213 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3kjr h LYS 214 N 4.02 0.02 -4.85 -0.52 -0.00 -1.90 -3.41 116.57 109.93 3kjr h LYS 214 Ca -0.45 -0.00 -0.57 0.00 -0.00 0.00 0.00 60.65 59.63 3kjr h LYS 214 Cb 1.32 -0.00 -0.33 0.00 -0.00 0.00 0.00 32.23 33.22 3kjr h LYS 214 CO 0.74 0.01 -0.84 0.71 -0.00 0.00 0.00 179.45 180.08 3kjr s TYR 215 N -5.03 1.82 -0.04 0.07 2.02 -1.26 -5.05 117.35 109.89 3kjr s TYR 215 Ca -0.05 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 55.96 3kjr s TYR 215 Cb 0.20 -1.28 0.02 0.00 -0.40 0.00 0.00 41.96 40.50 3kjr s TYR 215 CO 0.73 -0.31 -0.03 0.08 -1.57 0.00 0.00 175.55 174.45 3kjr s VAL 216 N 0.52 0.40 0.11 0.71 1.01 -1.26 -4.66 120.40 117.23 3kjr s VAL 216 Ca -0.15 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.48 3kjr s VAL 216 Cb -0.16 -0.45 -0.07 0.00 0.00 0.00 0.00 36.38 35.70 3kjr s VAL 216 CO 0.05 0.20 1.19 0.00 0.00 0.00 0.00 175.10 176.54 3kjr s ALA 217 N 0.95 3.40 -1.11 5.51 0.00 -1.26 -4.19 121.76 125.07 3kjr s ALA 217 Ca -0.11 0.87 -0.25 0.00 0.00 0.00 0.00 51.96 52.48 3kjr s ALA 217 Cb -0.14 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.58 3kjr s ALA 217 CO -0.01 -0.39 0.68 0.00 0.00 0.00 0.00 175.76 176.05 3kjr h PRO 219 N -1.95 0.00 0.00 0.00 0.13 -1.88 -1.07 132.00 127.23 3kjr h PRO 219 Ca -0.67 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.42 3kjr h PRO 219 Cb 1.39 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 3kjr h PRO 219 CO 0.47 0.00 -0.16 0.78 -0.23 0.00 0.00 178.00 178.86 3kjr h GLY 220 N 0.67 0.00 -6.24 1.56 0.00 -1.88 -3.43 103.07 93.75 3kjr h GLY 220 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 3kjr h GLY 220 CO 0.00 0.00 0.47 0.14 0.00 0.00 0.00 176.54 177.15 3kjr s VAL 221 N -3.54 4.74 -0.21 4.60 1.01 -0.41 -4.37 120.40 122.21 3kjr s VAL 221 Ca 0.02 1.23 0.05 0.00 0.00 0.00 0.00 61.98 63.27 3kjr s VAL 221 Cb 0.09 -4.20 -0.20 0.00 0.00 0.00 0.00 36.38 32.06 3kjr s VAL 221 CO 0.62 -0.32 -0.02 0.54 0.00 0.00 0.00 175.10 175.92 3kjr n ARG 222 N 6.35 0.67 -3.40 2.72 1.74 0.35 -4.74 116.66 120.36 3kjr n ARG 222 Ca 0.05 0.14 -0.44 0.00 -0.77 0.00 0.00 57.85 56.83 3kjr n ARG 222 Cb 0.48 -1.56 -0.09 0.00 -1.02 0.00 0.00 32.46 30.27 3kjr n ARG 222 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kjr s ILE 223 N -2.52 5.21 -0.70 0.55 1.01 -0.74 -5.00 121.20 119.00 3kjr s ILE 223 Ca -0.26 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.65 3kjr s ILE 223 Cb 0.08 -4.05 0.24 0.00 0.01 0.00 0.00 42.46 38.75 3kjr s ILE 223 CO 0.69 -0.46 0.78 0.54 0.00 0.00 0.00 174.94 176.49 3kjr n ARG 224 N 5.29 2.62 0.00 2.79 1.74 -1.26 -1.21 116.66 126.63 3kjr n ARG 224 Ca -0.11 -4.63 0.10 0.00 -0.77 0.00 0.00 57.85 52.44 3kjr n ARG 224 Cb 0.46 -2.29 -0.06 0.00 -1.02 0.00 0.00 32.46 29.54 3kjr n ARG 224 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kjr n ASN 225 N 1.11 1.48 -4.72 0.55 3.02 -0.57 -4.88 115.26 111.26 3kjr n ASN 225 Ca 0.28 -1.24 -0.42 0.00 -0.03 0.00 0.00 54.58 53.17 3kjr n ASN 225 Cb 0.39 0.75 -0.03 0.00 -0.61 0.00 0.00 39.78 40.28 3kjr n ASN 225 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3kjr s HIS 226 N -2.71 3.12 0.59 3.10 2.46 -1.15 -3.35 115.29 117.35 3kjr s HIS 226 Ca 0.13 0.74 0.29 0.00 0.47 0.00 0.00 55.06 56.69 3kjr s HIS 226 Cb 0.17 -3.84 1.63 0.00 -0.13 0.00 0.00 32.58 30.41 3kjr s HIS 226 CO 0.71 -3.04 2.06 0.93 -2.47 0.00 0.00 174.74 172.93 3kjr h GLU 227 N 6.84 0.00 0.00 2.88 5.08 -1.90 -2.28 114.58 125.20 3kjr h GLU 227 Ca -0.42 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 3kjr h GLU 227 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 3kjr h GLU 227 CO 0.90 0.00 -0.07 1.49 -1.00 0.00 0.00 179.01 180.33 3kjr h GLU 228 N 0.00 0.00 0.00 2.33 4.81 -1.97 -2.36 114.58 117.40 3kjr h GLU 228 Ca 0.11 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3kjr h GLU 228 Cb 0.63 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 3kjr h GLU 228 CO -0.00 0.07 -0.02 0.74 -0.73 0.00 0.00 179.01 179.07 3kjr h PHE 229 N 0.00 0.00 -0.49 0.92 0.04 -1.76 -1.30 116.94 114.35 3kjr h PHE 229 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kjr h PHE 229 Cb 0.16 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3kjr h PHE 229 CO 0.00 0.02 0.30 1.96 -0.60 0.00 0.00 178.31 179.99 3kjr h GLN 230 N 0.00 0.66 -0.04 1.51 4.20 -1.63 0.16 115.11 119.98 3kjr h GLN 230 Ca -0.00 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.50 3kjr h GLN 230 Cb 0.07 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 27.72 3kjr h GLN 230 CO 0.00 0.48 -0.55 -0.92 -0.67 0.00 0.00 178.83 177.18 3kjr h TYR 231 N 0.65 0.63 -0.79 2.96 3.20 -1.45 -2.65 116.97 119.53 3kjr h TYR 231 Ca 0.18 -0.31 -0.04 0.00 3.14 0.00 0.00 58.73 61.69 3kjr h TYR 231 Cb -0.01 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 3kjr h TYR 231 CO -0.03 1.11 0.34 -0.07 -1.64 0.00 0.00 178.16 177.87 3kjr h LEU 232 N -0.04 1.07 -1.06 2.82 3.38 -1.21 -1.15 115.31 119.11 3kjr h LEU 232 Ca -0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3kjr h LEU 232 Cb 1.24 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 3kjr h LEU 232 CO 0.11 0.93 0.43 0.44 0.09 0.00 0.00 178.44 180.45 3kjr h ASP 233 N 1.13 0.97 -0.46 -0.43 3.32 -0.70 -0.94 116.42 119.32 3kjr h ASP 233 Ca 0.27 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 3kjr h ASP 233 Cb 0.18 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3kjr h ASP 233 CO -0.03 0.78 0.04 0.40 -1.72 0.00 0.00 179.24 178.71 3kjr h ILE 234 N 1.09 1.25 -0.15 0.35 2.04 -1.06 0.23 117.51 121.26 3kjr h ILE 234 Ca 0.28 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 65.21 3kjr h ILE 234 Cb 0.02 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 3kjr h ILE 234 CO -0.05 0.34 -0.20 -0.07 0.00 0.00 0.00 178.15 178.17 3kjr h LEU 235 N 0.64 -0.63 -1.00 1.44 3.38 -0.89 -1.02 115.31 117.24 3kjr h LEU 235 Ca 0.14 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 3kjr h LEU 235 Cb 0.44 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3kjr h LEU 235 CO 0.02 -0.25 0.17 0.00 0.09 0.00 0.00 178.44 178.46 3kjr h ALA 236 N 0.77 1.19 -0.28 1.53 0.00 -0.96 -2.28 119.26 119.24 3kjr h ALA 236 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3kjr h ALA 236 Cb 0.40 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kjr h ALA 236 CO -0.29 0.56 0.15 0.22 0.00 0.00 0.00 179.25 179.89 3kjr h ASP 237 N 0.86 0.35 -0.34 0.00 3.58 -0.14 -1.19 116.42 119.55 3kjr h ASP 237 Ca 0.19 -0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 3kjr h ASP 237 Cb 0.28 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 3kjr h ASP 237 CO -0.01 0.34 0.03 0.58 -2.88 0.00 0.00 179.24 177.31 3kjr h VAL 238 N 0.33 1.25 -1.01 2.25 2.07 -1.05 0.41 116.25 120.49 3kjr h VAL 238 Ca 0.10 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.76 3kjr h VAL 238 Cb 0.07 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 3kjr h VAL 238 CO -0.02 0.29 0.67 -0.07 0.02 0.00 0.00 177.57 178.46 3kjr h LEU 239 N 0.39 1.13 -0.25 2.57 3.38 -1.39 0.57 115.31 121.71 3kjr h LEU 239 Ca 0.10 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.84 3kjr h LEU 239 Cb 0.39 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kjr h LEU 239 CO 0.01 0.80 -0.82 0.28 0.09 0.00 0.00 178.44 178.79 3kjr h SER 240 N 1.32 0.65 0.00 -0.43 0.02 -0.95 -3.41 113.55 110.76 3kjr h SER 240 Ca 0.39 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3kjr h SER 240 Cb -0.08 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.27 3kjr h SER 240 CO -0.10 1.23 -0.02 1.41 -1.14 0.00 0.00 176.83 178.21 3kjr n HIS 241 N -3.84 0.00 -1.72 3.45 8.25 0.11 -4.78 115.22 116.68 3kjr n HIS 241 Ca -0.06 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.03 3kjr n HIS 241 Cb 0.76 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.94 3kjr n HIS 241 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3kjr s GLY 242 N -0.56 2.83 0.01 -1.41 0.00 0.20 -4.96 107.32 103.43 3kjr s GLY 242 Ca 0.00 1.20 -0.17 0.00 0.00 0.00 0.00 44.72 45.75 3kjr s GLY 242 CO 0.00 1.63 0.47 0.14 0.00 0.00 0.00 173.10 175.33 3kjr s VAL 243 N -1.43 4.96 -0.07 1.40 1.01 -0.08 -4.65 120.40 121.54 3kjr s VAL 243 Ca 0.82 0.97 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 3kjr s VAL 243 Cb -0.37 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3kjr s VAL 243 CO 0.40 0.54 1.43 -0.22 0.00 0.00 0.00 175.10 177.25 3kjr s LEU 244 N -0.90 4.27 -0.44 3.92 2.96 -1.26 -0.69 118.68 126.54 3kjr s LEU 244 Ca 0.26 2.01 -0.05 0.00 -0.22 0.00 0.00 54.13 56.12 3kjr s LEU 244 Cb -0.17 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 43.09 3kjr s LEU 244 CO 0.15 -0.79 0.27 -0.54 -1.32 0.00 0.00 176.35 174.12 3kjr s LYS 245 N 3.24 2.22 0.69 1.98 1.02 0.14 -4.97 119.74 124.06 3kjr s LYS 245 Ca 0.64 -1.83 -0.15 0.00 0.02 0.00 0.00 55.97 54.65 3kjr s LYS 245 Cb -0.29 -3.73 0.02 0.00 -0.52 0.00 0.00 37.83 33.31 3kjr s LYS 245 CO 0.24 -1.13 1.16 -2.14 -0.92 0.00 0.00 175.35 172.56 3kjr s PRO 246 N 1.18 2.48 -0.03 -1.68 0.02 -1.26 -2.22 135.00 133.49 3kjr s PRO 246 Ca 0.08 1.58 -0.00 0.00 0.02 0.00 0.00 61.00 62.67 3kjr s PRO 246 Cb -0.24 -1.89 0.03 0.00 0.02 0.00 0.00 34.50 32.42 3kjr s PRO 246 CO -0.03 -1.54 0.02 0.54 -0.33 0.00 0.00 177.00 175.67 3kjr s ASN 247 N -2.28 0.58 0.39 2.53 2.20 -1.26 -4.92 114.94 112.17 3kjr s ASN 247 Ca 0.71 0.01 -0.27 0.00 -0.94 0.00 0.00 52.86 52.37 3kjr s ASN 247 Cb -0.25 -0.18 -0.11 0.00 -2.00 0.00 0.00 41.25 38.72 3kjr s ASN 247 CO 0.43 -0.15 1.38 -2.11 -2.94 0.00 0.00 177.10 173.71 3kjr n ARG 248 N 4.50 2.33 -3.18 3.55 -4.01 -1.26 -3.55 116.66 115.04 3kjr n ARG 248 Ca -0.20 0.82 -0.15 0.00 -1.04 0.00 0.00 57.85 57.28 3kjr n ARG 248 Cb 0.50 -2.51 0.01 0.00 -3.04 0.00 0.00 32.46 27.42 3kjr n ARG 248 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 3kjr n THR 249 N 0.20 -8.27 0.00 8.89 -2.24 -1.26 -4.97 114.28 106.63 3kjr n THR 249 Ca 0.04 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 3kjr n THR 249 Cb 0.38 -5.81 0.00 0.00 -2.10 0.00 0.00 70.33 62.81 3kjr n THR 249 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kjr n GLY 250 N -0.85 3.26 3.75 3.38 0.00 -1.23 -5.11 105.19 108.40 3kjr n GLY 250 Ca -0.02 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 3kjr n GLY 250 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kjr s THR 251 N -2.00 4.84 0.77 2.61 2.01 -1.26 -4.55 115.64 118.06 3kjr s THR 251 Ca 0.00 1.40 -0.11 0.00 0.31 0.00 0.00 61.69 63.30 3kjr s THR 251 Cb 0.00 -4.01 0.06 0.00 0.01 0.00 0.00 72.50 68.56 3kjr s THR 251 CO 0.00 0.39 1.08 -1.81 -0.69 0.00 0.00 174.62 173.60 3kjr s ASP 252 N -0.11 4.57 0.00 3.53 1.01 -1.26 -4.58 116.67 119.84 3kjr s ASP 252 Ca 0.34 1.66 -0.03 0.00 0.71 0.00 0.00 52.55 55.23 3kjr s ASP 252 Cb -0.19 -2.40 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 3kjr s ASP 252 CO 0.19 -1.97 0.05 0.00 0.21 0.00 0.00 175.17 173.66 3kjr s ALA 253 N -2.97 -0.11 0.01 5.23 0.00 -0.94 -1.03 121.76 121.95 3kjr s ALA 253 Ca 0.61 -0.25 -0.25 0.00 0.00 0.00 0.00 51.96 52.06 3kjr s ALA 253 Cb -0.16 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 3kjr s ALA 253 CO 0.56 -0.15 0.76 0.71 0.00 0.00 0.00 175.76 177.64 3kjr s TYR 254 N -1.11 3.69 0.01 0.00 1.51 -0.10 0.25 117.35 121.59 3kjr s TYR 254 Ca -0.12 1.42 0.02 0.00 -1.01 0.00 0.00 57.07 57.39 3kjr s TYR 254 Cb -0.07 -2.83 -0.01 0.00 -0.11 0.00 0.00 41.96 38.94 3kjr s TYR 254 CO 0.00 0.21 -0.08 0.45 -1.11 0.00 0.00 175.55 175.02 3kjr s SER 255 N 0.24 0.88 0.02 2.29 0.15 0.13 -0.77 113.70 116.64 3kjr s SER 255 Ca 0.39 -0.24 -0.12 0.00 0.70 0.00 0.00 55.95 56.68 3kjr s SER 255 Cb -0.20 -0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.06 3kjr s SER 255 CO 0.22 0.02 0.25 -0.75 1.20 0.00 0.00 173.24 174.18 3kjr s LYS 256 N -0.53 0.69 -0.14 5.44 2.20 -0.49 -0.90 119.74 126.01 3kjr s LYS 256 Ca 0.00 -0.44 -0.00 0.00 -0.36 0.00 0.00 55.97 55.17 3kjr s LYS 256 Cb -0.05 0.29 -0.01 0.00 -1.51 0.00 0.00 37.83 36.55 3kjr s LYS 256 CO 0.00 -0.20 -0.12 0.12 -0.36 0.00 0.00 175.35 174.79 3kjr s PHE 257 N -2.03 2.82 0.00 4.03 5.36 -1.26 -1.27 117.98 125.64 3kjr s PHE 257 Ca -0.09 -0.66 0.00 0.00 -0.96 0.00 0.00 56.93 55.22 3kjr s PHE 257 Cb -0.03 -1.86 0.00 0.00 -0.34 0.00 0.00 43.02 40.79 3kjr s PHE 257 CO -0.01 -0.23 0.00 0.41 -1.46 0.00 0.00 175.22 173.93 3kjr n GLY 258 N 3.60 -0.45 3.16 13.12 0.00 -0.49 -5.01 105.19 119.12 3kjr n GLY 258 Ca -0.18 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 3kjr n GLY 258 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kjr s TYR 259 N 0.00 0.61 -0.06 1.61 2.02 -0.37 -4.99 117.35 116.18 3kjr s TYR 259 Ca 0.00 -1.05 -0.02 0.00 -0.37 0.00 0.00 57.07 55.63 3kjr s TYR 259 Cb 0.00 -0.35 0.04 0.00 -0.40 0.00 0.00 41.96 41.25 3kjr s TYR 259 CO 0.00 -0.51 0.12 -1.14 -1.57 0.00 0.00 175.55 172.46 3kjr s GLN 260 N -3.98 0.05 0.19 -0.62 0.74 -1.26 -0.89 119.66 113.90 3kjr s GLN 260 Ca 0.16 0.37 0.11 0.00 0.05 0.00 0.00 55.36 56.05 3kjr s GLN 260 Cb 0.07 -0.22 -0.04 0.00 1.10 0.00 0.00 33.01 33.91 3kjr s GLN 260 CO -0.04 -0.20 -0.21 -1.64 -0.55 0.00 0.00 175.29 172.66 3kjr s MET 261 N 1.38 1.62 0.01 1.67 -1.94 0.07 -4.95 119.30 117.16 3kjr s MET 261 Ca -0.07 -1.49 -0.01 0.00 -1.71 0.00 0.00 55.69 52.42 3kjr s MET 261 Cb -0.12 -1.90 -0.01 0.00 2.01 0.00 0.00 34.83 34.81 3kjr s MET 261 CO -0.05 0.40 -0.01 -0.98 -0.01 0.00 0.00 175.02 174.37 3kjr s ARG 262 N -2.72 0.25 -0.06 2.03 1.70 -1.26 0.11 118.95 119.00 3kjr s ARG 262 Ca 0.22 -0.45 0.00 0.00 -0.47 0.00 0.00 55.73 55.03 3kjr s ARG 262 Cb -0.08 0.09 0.02 0.00 -0.57 0.00 0.00 34.95 34.42 3kjr s ARG 262 CO 0.11 -0.04 -0.04 -0.06 -1.08 0.00 0.00 175.30 174.19 3kjr s PHE 263 N -1.12 0.86 -0.59 5.89 0.08 0.27 -4.98 117.98 118.39 3kjr s PHE 263 Ca -0.12 -0.28 -0.27 0.00 0.12 0.00 0.00 56.93 56.38 3kjr s PHE 263 Cb -0.08 -0.80 0.03 0.00 -0.57 0.00 0.00 43.02 41.61 3kjr s PHE 263 CO -0.01 -0.28 1.12 0.34 -0.10 0.00 0.00 175.22 176.30 3kjr s ASP 264 N 1.31 6.38 0.12 1.36 -1.08 -1.26 -0.87 116.67 122.63 3kjr s ASP 264 Ca -0.05 -0.11 0.26 0.00 -0.52 0.00 0.00 52.55 52.13 3kjr s ASP 264 Cb -0.14 -2.51 0.97 0.00 -1.46 0.00 0.00 42.92 39.78 3kjr s ASP 264 CO -0.02 -1.44 1.80 0.18 0.52 0.00 0.00 175.17 176.21 3kjr n LEU 265 N 8.21 0.42 0.24 -1.34 4.77 -0.21 -2.60 117.00 126.49 3kjr n LEU 265 Ca 0.06 0.55 0.14 0.00 -0.03 0.00 0.00 56.01 56.72 3kjr n LEU 265 Cb 0.48 -0.43 0.36 0.00 -2.33 0.00 0.00 43.42 41.51 3kjr n LEU 265 CO 0.69 -0.16 0.87 0.77 -1.33 0.00 0.00 177.39 178.22 3kjr h SER 266 N 0.00 0.00 0.04 -1.43 4.64 -1.72 -3.37 113.55 111.72 3kjr h SER 266 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 3kjr h SER 266 Cb 0.56 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.61 3kjr h SER 266 CO 0.00 0.03 -2.06 0.54 -0.87 0.00 0.00 176.83 174.47 3kjr n ARG 267 N -3.11 0.65 -3.83 4.77 1.74 -1.07 -4.89 116.66 110.93 3kjr n ARG 267 Ca 0.03 0.31 -0.07 0.00 -0.77 0.00 0.00 57.85 57.35 3kjr n ARG 267 Cb 0.45 -1.63 0.01 0.00 -1.02 0.00 0.00 32.46 30.27 3kjr n ARG 267 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kjr s SER 268 N -6.97 -0.08 -0.23 0.55 1.04 -1.19 -2.92 113.70 103.90 3kjr s SER 268 Ca -0.31 -0.85 -0.05 0.00 0.48 0.00 0.00 55.95 55.22 3kjr s SER 268 Cb 0.09 0.72 -0.02 0.00 0.10 0.00 0.00 66.02 66.91 3kjr s SER 268 CO 0.63 -1.40 0.01 0.12 0.98 0.00 0.00 173.24 173.58 3kjr s PHE 269 N -2.80 3.03 -1.51 5.02 5.36 -0.16 -4.37 117.98 122.54 3kjr s PHE 269 Ca 0.15 -0.61 -0.12 0.00 -0.96 0.00 0.00 56.93 55.39 3kjr s PHE 269 Cb -0.04 -2.15 -0.00 0.00 -0.34 0.00 0.00 43.02 40.48 3kjr s PHE 269 CO 0.08 -0.39 2.52 -0.35 -1.46 0.00 0.00 175.22 175.62 3kjr n PRO 270 N 4.69 3.32 -3.13 10.12 -0.04 -1.26 -3.73 135.00 144.96 3kjr n PRO 270 Ca -0.17 -2.52 -0.42 0.00 -0.04 0.00 0.00 63.50 60.35 3kjr n PRO 270 Cb 0.51 -3.04 -0.07 0.00 -0.04 0.00 0.00 33.50 30.86 3kjr n PRO 270 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3kjr s LEU 271 N 1.06 4.29 0.33 1.53 2.96 -1.26 -4.30 118.68 123.29 3kjr s LEU 271 Ca 0.56 0.09 -0.28 0.00 -0.22 0.00 0.00 54.13 54.28 3kjr s LEU 271 Cb 0.16 -2.75 -0.13 0.00 0.50 0.00 0.00 46.19 43.97 3kjr s LEU 271 CO -0.07 -0.59 1.18 0.18 -1.32 0.00 0.00 176.35 175.73 3kjr n LEU 272 N 6.01 2.96 -0.00 -0.68 4.77 -1.26 -4.69 117.00 124.11 3kjr n LEU 272 Ca -0.02 1.19 0.07 0.00 -0.03 0.00 0.00 56.01 57.22 3kjr n LEU 272 Cb 0.49 -1.42 -0.09 0.00 -2.33 0.00 0.00 43.42 40.07 3kjr n LEU 272 CO 0.49 -0.84 -0.21 0.35 -1.33 0.00 0.00 177.39 175.85 3kjr n THR 273 N 0.23 0.00 1.37 -5.08 -2.24 -1.26 -4.39 114.28 102.91 3kjr n THR 273 Ca 0.07 -0.21 0.13 0.00 -2.27 0.00 0.00 64.05 61.77 3kjr n THR 273 Cb 0.35 0.76 0.71 0.00 -2.10 0.00 0.00 70.33 70.05 3kjr n THR 273 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kjr n THR 274 N -1.53 0.10 -3.70 4.28 -2.24 -1.26 -0.53 114.28 109.40 3kjr n THR 274 Ca 0.01 0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.71 3kjr n THR 274 Cb 0.27 -0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 67.86 3kjr n THR 274 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3kjr s LYS 275 N -2.44 0.94 -0.34 -0.78 -2.85 -1.26 -4.66 119.74 108.35 3kjr s LYS 275 Ca 0.29 -0.64 -0.29 0.00 -1.00 0.00 0.00 55.97 54.33 3kjr s LYS 275 Cb 0.18 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.37 3kjr s LYS 275 CO 0.39 -0.34 1.35 0.21 0.10 0.00 0.00 175.35 177.06 3kjr s LYS 276 N -3.28 3.78 0.07 1.78 2.20 -0.87 -4.64 119.74 118.77 3kjr s LYS 276 Ca -0.00 1.13 -0.14 0.00 -0.36 0.00 0.00 55.97 56.60 3kjr s LYS 276 Cb 0.01 -3.94 -0.06 0.00 -1.51 0.00 0.00 37.83 32.33 3kjr s LYS 276 CO -0.08 -1.30 0.46 0.08 -0.36 0.00 0.00 175.35 174.16 3kjr s VAL 277 N 4.79 4.96 -1.34 4.02 1.01 -1.26 -4.59 120.40 127.99 3kjr s VAL 277 Ca 0.58 0.80 -0.16 0.00 0.00 0.00 0.00 61.98 63.21 3kjr s VAL 277 Cb -0.16 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.52 3kjr s VAL 277 CO 0.27 0.43 2.06 0.00 0.00 0.00 0.00 175.10 177.86 3kjr n ALA 278 N 1.34 4.67 -0.35 5.51 0.00 -1.26 -4.81 120.51 125.61 3kjr n ALA 278 Ca -0.10 -3.79 0.11 0.00 0.00 0.00 0.00 53.44 49.66 3kjr n ALA 278 Cb 0.52 -3.57 0.30 0.00 0.00 0.00 0.00 19.45 16.70 3kjr n ALA 278 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kjr h LEU 279 N 11.33 0.81 -0.76 0.00 5.85 -2.00 -2.37 115.31 128.16 3kjr h LEU 279 Ca 0.51 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.31 3kjr h LEU 279 Cb 0.72 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 3kjr h LEU 279 CO 1.76 0.32 0.46 -0.09 -0.34 0.00 0.00 178.44 180.55 3kjr h ARG 280 N 0.81 1.04 -0.64 1.25 2.43 -2.00 -1.05 114.38 116.21 3kjr h ARG 280 Ca 0.56 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.58 3kjr h ARG 280 Cb 0.79 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 3kjr h ARG 280 CO -0.36 0.73 0.17 0.77 -1.51 0.00 0.00 179.97 179.78 3kjr h SER 281 N 1.04 0.96 0.00 -3.80 0.02 -1.84 -1.35 113.55 108.59 3kjr h SER 281 Ca 0.27 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 3kjr h SER 281 Cb -0.04 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 3kjr h SER 281 CO -0.05 0.93 -0.10 0.40 -1.14 0.00 0.00 176.83 176.87 3kjr h ILE 282 N 0.94 0.75 -0.14 3.27 2.04 -1.17 -0.69 117.51 122.51 3kjr h ILE 282 Ca 0.20 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.06 3kjr h ILE 282 Cb 0.33 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3kjr h ILE 282 CO -0.00 0.00 0.07 0.40 0.00 0.00 0.00 178.15 178.62 3kjr h ILE 283 N -0.17 1.12 -0.81 -0.67 2.04 -1.10 -1.55 117.51 116.37 3kjr h ILE 283 Ca 0.04 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3kjr h ILE 283 Cb 0.21 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3kjr h ILE 283 CO -0.10 0.11 0.43 -0.33 0.00 0.00 0.00 178.15 178.26 3kjr h GLU 284 N 0.10 1.14 -0.71 2.37 4.39 -1.13 -0.54 114.58 120.19 3kjr h GLU 284 Ca 0.05 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 59.62 3kjr h GLU 284 Cb 0.11 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 3kjr h GLU 284 CO -0.01 0.85 0.46 1.49 -1.16 0.00 0.00 179.01 180.65 3kjr h GLU 285 N 1.13 0.91 -0.40 2.33 4.81 -0.96 -1.90 114.58 120.49 3kjr h GLU 285 Ca 0.28 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 3kjr h GLU 285 Cb 0.05 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3kjr h GLU 285 CO -0.04 0.60 -0.16 1.25 -0.73 0.00 0.00 179.01 179.93 3kjr h LEU 286 N 0.93 0.83 -1.40 1.64 5.85 -0.51 -1.11 115.31 121.55 3kjr h LEU 286 Ca 0.27 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3kjr h LEU 286 Cb -0.06 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3kjr h LEU 286 CO -0.08 1.04 0.32 -0.07 -0.34 0.00 0.00 178.44 179.31 3kjr h LEU 287 N 0.63 0.64 -0.27 2.25 3.38 -0.97 -0.88 115.31 120.07 3kjr h LEU 287 Ca 0.09 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3kjr h LEU 287 Cb 0.70 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3kjr h LEU 287 CO 0.05 0.49 0.01 -0.25 0.09 0.00 0.00 178.44 178.84 3kjr h TRP 288 N 0.73 0.51 -0.33 1.13 7.01 -0.96 -1.58 115.95 122.47 3kjr h TRP 288 Ca 0.19 -0.09 0.07 0.00 2.11 0.00 0.00 58.89 61.18 3kjr h TRP 288 Cb -0.02 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 26.84 3kjr h TRP 288 CO 0.00 0.61 -0.09 0.74 -2.79 0.00 0.00 178.44 176.92 3kjr h PHE 289 N 0.26 -0.20 -0.92 2.65 0.04 -0.82 -2.36 116.94 115.59 3kjr h PHE 289 Ca 0.08 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.92 3kjr h PHE 289 Cb 0.40 0.14 -0.05 0.00 2.20 0.00 0.00 35.95 38.64 3kjr h PHE 289 CO 0.03 -0.15 0.60 0.82 -0.60 0.00 0.00 178.31 179.01 3kjr h ILE 290 N -0.01 1.15 0.00 -0.55 2.04 -0.96 -0.73 117.51 118.45 3kjr h ILE 290 Ca 0.16 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3kjr h ILE 290 Cb 0.26 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 3kjr h ILE 290 CO -0.35 0.21 0.00 0.29 0.00 0.00 0.00 178.15 178.30 3kjr n LYS 291 N -4.44 0.41 -0.99 2.37 5.02 -0.61 -4.88 118.16 115.04 3kjr n LYS 291 Ca 0.12 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 3kjr n LYS 291 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 3kjr n LYS 291 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kjr n GLY 292 N 1.01 0.44 3.79 0.72 0.00 -0.28 -5.02 105.19 105.86 3kjr n GLY 292 Ca 0.13 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 3kjr n GLY 292 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kjr s SER 293 N -2.53 6.39 -0.01 1.61 0.15 -0.91 -3.61 113.70 114.79 3kjr s SER 293 Ca 0.00 2.02 0.01 0.00 0.70 0.00 0.00 55.95 58.68 3kjr s SER 293 Cb 0.00 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.75 3kjr s SER 293 CO 0.00 -0.75 0.88 0.35 1.20 0.00 0.00 173.24 174.91 3kjr n THR 294 N -0.68 0.76 -3.28 6.45 -2.24 -1.26 -4.28 114.28 109.75 3kjr n THR 294 Ca 0.08 -0.78 -0.44 0.00 -2.27 0.00 0.00 64.05 60.64 3kjr n THR 294 Cb 0.51 0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 69.27 3kjr n THR 294 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3kjr s ASN 295 N -0.83 6.18 0.56 3.42 3.84 -1.26 -2.00 114.94 124.85 3kjr s ASN 295 Ca 0.02 -1.27 0.26 0.00 0.21 0.00 0.00 52.86 52.07 3kjr s ASN 295 Cb 0.01 -2.23 1.52 0.00 -0.55 0.00 0.00 41.25 40.00 3kjr s ASN 295 CO 0.00 -0.80 2.08 1.23 -2.79 0.00 0.00 177.10 176.82 3kjr h GLY 296 N 9.20 0.00 1.25 1.21 0.00 -1.15 -1.65 103.07 111.92 3kjr h GLY 296 Ca -0.28 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.15 3kjr h GLY 296 CO 0.95 0.00 0.27 3.43 0.00 0.00 0.00 176.54 181.19 3kjr h ASN 297 N 0.00 0.00 -0.12 0.19 2.35 -1.91 -2.23 115.58 113.86 3kjr h ASN 297 Ca 0.12 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 3kjr h ASN 297 Cb 0.54 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 3kjr h ASN 297 CO -0.00 0.00 -0.11 0.44 -1.65 0.00 0.00 177.43 176.11 3kjr h ASP 298 N 0.00 0.44 0.04 5.81 3.32 -1.69 -0.57 116.42 123.76 3kjr h ASP 298 Ca 0.18 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 3kjr h ASP 298 Cb 0.72 -0.12 0.02 0.00 0.22 0.00 0.00 39.33 40.17 3kjr h ASP 298 CO -0.00 0.59 -0.78 -0.07 -1.72 0.00 0.00 179.24 177.25 3kjr h LEU 299 N 0.43 0.63 -0.94 1.55 3.38 -1.58 -3.29 115.31 115.47 3kjr h LEU 299 Ca 0.08 -0.79 0.06 0.00 0.09 0.00 0.00 57.88 57.32 3kjr h LEU 299 Cb 0.45 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 3kjr h LEU 299 CO 0.03 1.34 0.60 -0.07 0.09 0.00 0.00 178.44 180.43 3kjr h LEU 300 N -0.02 0.95 -2.81 1.67 3.38 -1.20 0.14 115.31 117.42 3kjr h LEU 300 Ca -0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kjr h LEU 300 Cb 1.50 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 3kjr h LEU 300 CO 0.15 0.61 0.04 0.00 0.09 0.00 0.00 178.44 179.32 3kjr h ALA 301 N 1.43 1.13 -0.66 1.53 0.00 -1.19 0.45 119.26 121.95 3kjr h ALA 301 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3kjr h ALA 301 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kjr h ALA 301 CO -0.17 -0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.67 3kjr n LYS 302 N -3.19 2.66 -4.12 0.00 4.76 0.34 -4.94 118.16 113.67 3kjr n LYS 302 Ca -0.03 -2.41 -0.30 0.00 -2.87 0.00 0.00 58.31 52.70 3kjr n LYS 302 Cb 0.11 -1.56 -0.04 0.00 -1.84 0.00 0.00 35.03 31.70 3kjr n LYS 302 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kjr n ASN 303 N 1.39 -0.94 -4.29 4.39 5.15 0.15 -4.99 115.26 116.12 3kjr n ASN 303 Ca 0.22 -1.07 -0.35 0.00 -0.60 0.00 0.00 54.58 52.78 3kjr n ASN 303 Cb 0.59 -2.64 -0.14 0.00 -0.53 0.00 0.00 39.78 37.06 3kjr n ASN 303 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kjr s VAL 304 N -3.83 3.31 -0.32 3.44 1.01 -0.29 -5.00 120.40 118.72 3kjr s VAL 304 Ca 0.24 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.67 3kjr s VAL 304 Cb -0.13 -2.56 0.21 0.00 0.00 0.00 0.00 36.38 33.90 3kjr s VAL 304 CO 0.93 0.35 1.16 0.54 0.00 0.00 0.00 175.10 178.07 3kjr n ARG 305 N 4.78 2.66 0.25 2.72 1.74 -1.26 -3.41 116.66 124.14 3kjr n ARG 305 Ca -0.18 -2.02 0.11 0.00 -0.77 0.00 0.00 57.85 54.99 3kjr n ARG 305 Cb 0.50 -1.28 0.65 0.00 -1.02 0.00 0.00 32.46 31.32 3kjr n ARG 305 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 3kjr h ILE 306 N 0.83 0.65 -0.02 0.55 3.07 -1.97 -2.17 117.51 118.44 3kjr h ILE 306 Ca 0.00 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.75 3kjr h ILE 306 Cb 0.78 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 38.75 3kjr h ILE 306 CO 0.03 0.15 -0.18 0.79 -1.05 0.00 0.00 178.15 177.89 3kjr n TRP 307 N -3.68 0.00 0.10 0.16 7.02 -1.26 -4.73 117.44 115.05 3kjr n TRP 307 Ca -0.02 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.33 3kjr n TRP 307 Cb 0.27 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.09 3kjr n TRP 307 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3kjr h GLU 308 N 3.77 -0.18 -0.32 -0.99 4.81 -1.70 -2.71 114.58 117.26 3kjr h GLU 308 Ca 0.00 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3kjr h GLU 308 Cb 0.89 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 3kjr h GLU 308 CO 0.00 -0.12 0.21 -0.07 -0.73 0.00 0.00 179.01 178.30 3kjr h LEU 309 N -0.19 0.24 -0.06 1.64 3.38 -1.85 -0.86 115.31 117.60 3kjr h LEU 309 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kjr h LEU 309 Cb 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3kjr h LEU 309 CO 0.02 0.17 0.00 0.59 0.09 0.00 0.00 178.44 179.30 3kjr n ASN 310 N -4.49 0.28 -0.44 -0.43 5.03 -1.03 -3.28 115.26 110.90 3kjr n ASN 310 Ca 0.03 0.54 0.09 0.00 0.87 0.00 0.00 54.58 56.11 3kjr n ASN 310 Cb 0.18 -0.61 -0.00 0.00 -1.02 0.00 0.00 39.78 38.34 3kjr n ASN 310 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kjr n GLY 311 N 1.07 0.02 3.77 7.41 0.00 -0.34 -4.75 105.19 112.37 3kjr n GLY 311 Ca 0.06 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 3kjr n GLY 311 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kjr s ARG 312 N -2.15 4.20 0.23 1.61 0.52 -1.16 -0.11 118.95 122.10 3kjr s ARG 312 Ca 0.16 1.68 -0.10 0.00 -0.52 0.00 0.00 55.73 56.94 3kjr s ARG 312 Cb 0.15 -2.70 0.34 0.00 0.52 0.00 0.00 34.95 33.26 3kjr s ARG 312 CO 0.47 -0.15 1.40 -2.13 0.02 0.00 0.00 175.30 174.91 3kjr n ARG 313 N 0.19 -0.13 0.16 3.54 3.00 -1.26 -1.16 116.66 120.99 3kjr n ARG 313 Ca 0.04 1.39 -0.14 0.00 -0.00 0.00 0.00 57.85 59.14 3kjr n ARG 313 Cb 0.48 -2.07 -0.07 0.00 0.00 0.00 0.00 32.46 30.79 3kjr n ARG 313 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 3kjr h ASP 314 N 0.00 -0.40 -0.94 6.15 5.19 -1.95 -1.92 116.42 122.54 3kjr h ASP 314 Ca 0.38 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 3kjr h ASP 314 Cb 0.61 0.13 -0.05 0.00 0.18 0.00 0.00 39.33 40.20 3kjr h ASP 314 CO -0.91 -0.25 0.59 0.15 -3.12 0.00 0.00 179.24 175.70 3kjr h PHE 315 N -0.39 1.22 0.10 4.55 3.57 -1.54 -1.86 116.94 122.59 3kjr h PHE 315 Ca -0.02 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3kjr h PHE 315 Cb 0.33 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.67 3kjr h PHE 315 CO -0.10 0.79 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.65 3kjr h LEU 316 N 1.29 -0.11 -0.43 0.59 3.38 -0.97 -2.75 115.31 116.32 3kjr h LEU 316 Ca 0.34 -0.38 0.09 0.00 0.09 0.00 0.00 57.88 58.02 3kjr h LEU 316 Cb -0.09 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.60 3kjr h LEU 316 CO -0.07 0.35 -0.15 0.44 0.09 0.00 0.00 178.44 179.10 3kjr h ASP 317 N -0.60 -0.52 -1.15 -0.43 3.32 -1.36 -0.43 116.42 115.24 3kjr h ASP 317 Ca -0.01 0.14 0.33 0.00 0.02 0.00 0.00 57.03 57.51 3kjr h ASP 317 Cb 0.48 0.31 -0.07 0.00 0.22 0.00 0.00 39.33 40.28 3kjr h ASP 317 CO 0.02 -0.18 0.80 0.50 -1.72 0.00 0.00 179.24 178.66 3kjr h LYS 318 N -0.05 0.12 -0.17 3.56 3.64 -1.26 -0.55 116.57 121.87 3kjr h LYS 318 Ca 0.21 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3kjr h LYS 318 Cb 0.37 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3kjr h LYS 318 CO -0.47 0.08 0.00 0.09 -2.27 0.00 0.00 179.45 176.88 3kjr n ASN 319 N -4.34 3.10 0.00 4.20 3.02 -0.27 -4.97 115.26 116.00 3kjr n ASN 319 Ca 0.26 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.85 3kjr n ASN 319 Cb 1.14 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 40.22 3kjr n ASN 319 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kjr n GLY 320 N 1.34 0.54 2.30 7.41 0.00 -0.21 -4.98 105.19 111.58 3kjr n GLY 320 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3kjr n GLY 320 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kjr n PHE 321 N -1.63 1.22 0.19 1.61 3.72 -0.63 -4.61 117.46 117.33 3kjr n PHE 321 Ca 0.00 -1.99 0.06 0.00 -0.05 0.00 0.00 57.45 55.46 3kjr n PHE 321 Cb 0.00 -1.62 0.53 0.00 -0.94 0.00 0.00 39.48 37.46 3kjr n PHE 321 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3kjr h THR 322 N 2.16 1.08 -0.00 4.37 1.35 -1.85 -1.15 112.91 118.87 3kjr h THR 322 Ca 0.40 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 3kjr h THR 322 Cb 0.92 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3kjr h THR 322 CO 0.80 0.10 -0.06 0.47 -0.25 0.00 0.00 175.52 176.58 3kjr n ASP 323 N -4.44 0.32 -4.70 5.36 10.43 -1.26 -4.88 116.55 117.39 3kjr n ASP 323 Ca -0.02 -0.58 -0.37 0.00 2.57 0.00 0.00 54.79 56.39 3kjr n ASP 323 Cb 0.15 -0.11 -0.07 0.00 1.84 0.00 0.00 41.12 42.93 3kjr n ASP 323 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3kjr s ARG 324 N -2.39 4.22 0.59 -1.24 3.52 -0.44 -5.06 118.95 118.16 3kjr s ARG 324 Ca 0.33 0.17 -0.19 0.00 -0.13 0.00 0.00 55.73 55.91 3kjr s ARG 324 Cb 0.20 -3.48 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 3kjr s ARG 324 CO 0.45 0.09 0.94 -1.91 -0.81 0.00 0.00 175.30 174.05 3kjr n GLU 325 N 4.03 0.89 -1.80 5.12 2.13 -1.26 -4.91 120.64 124.84 3kjr n GLU 325 Ca -0.10 0.34 -0.41 0.00 0.66 0.00 0.00 57.16 57.65 3kjr n GLU 325 Cb 0.51 -2.13 -0.01 0.00 0.27 0.00 0.00 31.44 30.08 3kjr n GLU 325 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 3kjr s GLU 326 N -2.68 4.12 -0.57 5.31 2.12 -1.26 -1.82 118.70 123.92 3kjr s GLU 326 Ca 0.75 2.56 0.00 0.00 0.36 0.00 0.00 54.97 58.64 3kjr s GLU 326 Cb -0.42 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 30.96 3kjr s GLU 326 CO 0.48 -0.59 0.00 0.72 -0.54 0.00 0.00 175.26 175.33 3kjr n HIS 327 N 1.53 0.00 -2.68 5.30 8.25 0.85 -4.90 115.22 123.57 3kjr n HIS 327 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 3kjr n HIS 327 Cb 0.38 -2.01 -0.03 0.00 1.12 0.00 0.00 29.99 29.45 3kjr n HIS 327 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kjr s ASP 328 N -2.27 6.28 0.00 0.41 3.68 -0.76 -0.50 116.67 123.52 3kjr s ASP 328 Ca 0.00 -0.37 0.29 0.00 2.13 0.00 0.00 52.55 54.61 3kjr s ASP 328 Cb 0.00 -2.51 1.36 0.00 -1.45 0.00 0.00 42.92 40.32 3kjr s ASP 328 CO 0.00 -1.53 1.92 0.18 0.13 0.00 0.00 175.17 175.87 3kjr n LEU 329 N 8.39 0.80 0.00 -1.34 4.77 -0.85 -4.86 117.00 123.91 3kjr n LEU 329 Ca 0.03 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3kjr n LEU 329 Cb 0.48 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3kjr n LEU 329 CO 0.68 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 3kjr n GLY 330 N 1.14 -1.81 2.50 -0.72 0.00 -1.26 -4.51 105.19 100.52 3kjr n GLY 330 Ca 0.20 -1.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 3kjr n GLY 330 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kjr n PRO 331 N -0.06 3.30 -0.17 1.61 -0.04 -1.26 -4.81 135.00 133.56 3kjr n PRO 331 Ca 0.00 -2.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 3kjr n PRO 331 Cb 0.00 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 30.45 3kjr n PRO 331 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3kjr n ILE 332 N 4.27 0.00 -0.34 0.52 -5.35 -1.26 -4.55 119.36 112.65 3kjr n ILE 332 Ca 0.67 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 63.07 3kjr n ILE 332 Cb 0.30 -1.70 -0.06 0.00 -1.74 0.00 0.00 39.64 36.44 3kjr n ILE 332 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3kjr n TYR 333 N -0.99 -0.28 -0.18 4.28 4.01 -1.26 -1.28 117.16 121.45 3kjr n TYR 333 Ca 0.00 1.03 -0.01 0.00 -0.16 0.00 0.00 57.90 58.76 3kjr n TYR 333 Cb 0.00 -0.62 0.09 0.00 -0.31 0.00 0.00 39.34 38.51 3kjr n TYR 333 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3kjr h GLY 334 N 0.00 0.74 0.99 2.72 0.00 -1.77 0.20 103.07 105.94 3kjr h GLY 334 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3kjr h GLY 334 CO -0.79 -0.06 0.29 -2.75 0.00 0.00 0.00 176.54 173.24 3kjr h PHE 335 N 0.31 0.77 -0.52 5.60 3.57 -1.25 -2.40 116.94 123.03 3kjr h PHE 335 Ca 0.29 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.65 3kjr h PHE 335 Cb 0.38 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3kjr h PHE 335 CO -0.20 0.58 -0.11 1.96 -2.23 0.00 0.00 178.31 178.30 3kjr h GLN 336 N 0.74 0.97 -0.49 1.11 1.08 -0.72 0.34 115.11 118.14 3kjr h GLN 336 Ca 0.19 -0.35 -0.05 0.00 -1.45 0.00 0.00 58.65 56.99 3kjr h GLN 336 Cb 0.07 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 3kjr h GLN 336 CO -0.03 1.02 0.09 -1.49 -0.95 0.00 0.00 178.83 177.48 3kjr h TRP 337 N 0.87 0.78 0.00 2.96 4.06 -0.54 -3.07 115.95 121.01 3kjr h TRP 337 Ca 0.14 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 61.01 3kjr h TRP 337 Cb 0.66 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 3kjr h TRP 337 CO 0.04 0.68 -1.06 0.54 -3.56 0.00 0.00 178.44 175.09 3kjr n ARG 338 N -4.27 1.72 -1.61 0.49 5.12 -0.91 -1.45 116.66 115.74 3kjr n ARG 338 Ca 0.03 -0.06 -0.01 0.00 -1.93 0.00 0.00 57.85 55.89 3kjr n ARG 338 Cb 0.24 -1.19 0.00 0.00 -1.16 0.00 0.00 32.46 30.35 3kjr n ARG 338 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3kjr n HIS 339 N -1.60 -0.03 -1.67 -1.55 8.25 0.12 -3.40 115.22 115.33 3kjr n HIS 339 Ca 0.00 -0.82 -0.49 0.00 -0.26 0.00 0.00 57.72 56.15 3kjr n HIS 339 Cb 0.26 0.21 -0.05 0.00 1.12 0.00 0.00 29.99 31.53 3kjr n HIS 339 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kjr n PHE 340 N 0.01 2.21 0.00 4.41 7.35 -0.61 -1.55 117.46 129.28 3kjr n PHE 340 Ca -0.07 0.19 0.00 0.00 -0.76 0.00 0.00 57.45 56.81 3kjr n PHE 340 Cb 0.93 -2.58 0.00 0.00 0.35 0.00 0.00 39.48 38.19 3kjr n PHE 340 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kjr n GLY 341 N 3.96 2.59 3.73 7.13 0.00 -1.26 -0.42 105.19 120.92 3kjr n GLY 341 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 3kjr n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kjr s ALA 342 N -2.54 2.32 -0.25 4.61 0.00 -0.59 -4.79 121.76 120.52 3kjr s ALA 342 Ca 0.00 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 3kjr s ALA 342 Cb 0.00 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 3kjr s ALA 342 CO 0.00 -1.60 1.25 -2.00 0.00 0.00 0.00 175.76 173.40 3kjr s GLU 343 N -3.55 4.08 0.06 0.00 2.12 -1.26 -4.98 118.70 115.17 3kjr s GLU 343 Ca 0.79 1.40 -0.31 0.00 0.36 0.00 0.00 54.97 57.21 3kjr s GLU 343 Cb -0.33 -3.80 -0.06 0.00 0.26 0.00 0.00 34.13 30.20 3kjr s GLU 343 CO 0.40 -0.91 1.21 -0.47 -0.54 0.00 0.00 175.26 174.95 3kjr s TYR 344 N 3.89 3.43 0.00 5.30 5.04 -1.26 -4.96 117.35 128.79 3kjr s TYR 344 Ca 0.54 1.28 0.00 0.00 -2.44 0.00 0.00 57.07 56.45 3kjr s TYR 344 Cb -0.18 -3.43 0.00 0.00 0.35 0.00 0.00 41.96 38.70 3kjr s TYR 344 CO 0.18 -1.33 0.00 1.28 -1.34 0.00 0.00 175.55 174.34 3kjr n LEU 345 N 3.92 0.00 0.00 6.97 4.77 -1.26 -5.09 117.00 126.31 3kjr n LEU 345 Ca 0.09 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.89 3kjr n LEU 345 Cb 0.46 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 3kjr n LEU 345 CO 0.56 0.00 -0.04 -0.90 -1.33 0.00 0.00 177.39 175.68 3kjr n ASP 346 N -0.81 -0.85 0.03 -1.43 5.68 -1.26 -5.04 116.55 112.87 3kjr n ASP 346 Ca 0.00 -3.10 0.08 0.00 -0.50 0.00 0.00 54.79 51.28 3kjr n ASP 346 Cb 0.00 1.85 0.36 0.00 -1.14 0.00 0.00 41.12 42.19 3kjr n ASP 346 CO 0.00 0.00 0.00 1.15 -1.33 0.00 0.00 177.20 177.02 3kjr n MET 347 N -0.61 0.04 0.05 0.11 0.00 -1.26 -2.69 117.12 112.77 3kjr n MET 347 Ca 0.06 0.28 0.11 0.00 0.00 0.00 0.00 57.70 58.15 3kjr n MET 347 Cb 0.59 -1.58 -0.03 0.00 0.00 0.00 0.00 33.22 32.20 3kjr n MET 347 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 3kjr n HIS 348 N -1.66 0.52 -1.47 3.17 8.25 -1.26 -4.80 115.22 117.96 3kjr n HIS 348 Ca 0.03 0.15 -0.34 0.00 -0.26 0.00 0.00 57.72 57.30 3kjr n HIS 348 Cb 0.19 -0.69 0.09 0.00 1.12 0.00 0.00 29.99 30.70 3kjr n HIS 348 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kjr s ALA 349 N -3.35 2.15 -0.46 -1.41 0.00 -1.09 -4.97 121.76 112.62 3kjr s ALA 349 Ca -0.01 0.90 -0.21 0.00 0.00 0.00 0.00 51.96 52.64 3kjr s ALA 349 Cb 0.12 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.80 3kjr s ALA 349 CO 0.82 -1.83 0.69 0.34 0.00 0.00 0.00 175.76 175.78 3kjr s ASP 350 N -1.98 6.33 -0.11 0.00 -1.08 -1.26 -4.92 116.67 113.64 3kjr s ASP 350 Ca 0.75 -0.35 0.18 0.00 -0.52 0.00 0.00 52.55 52.60 3kjr s ASP 350 Cb -0.30 -2.34 0.71 0.00 -1.46 0.00 0.00 42.92 39.53 3kjr s ASP 350 CO 0.44 -0.85 1.62 -1.22 0.52 0.00 0.00 175.17 175.68 3kjr n TYR 351 N 6.43 1.45 -1.67 -5.34 4.01 -1.26 -4.97 117.16 115.80 3kjr n TYR 351 Ca -0.01 -0.62 -0.47 0.00 -0.16 0.00 0.00 57.90 56.64 3kjr n TYR 351 Cb 0.48 -0.24 -0.04 0.00 -0.31 0.00 0.00 39.34 39.22 3kjr n TYR 351 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3kjr n THR 352 N 1.04 0.26 -0.99 -0.72 -1.04 -1.26 -0.94 114.28 110.64 3kjr n THR 352 Ca 0.25 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 3kjr n THR 352 Cb 0.88 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 3kjr n THR 352 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kjr n GLY 353 N 3.86 0.37 3.60 3.41 0.00 -1.26 -5.01 105.19 110.17 3kjr n GLY 353 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3kjr n GLY 353 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjr s LYS 354 N -0.60 3.01 0.70 1.61 1.02 -0.11 -5.02 119.74 120.35 3kjr s LYS 354 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.50 3kjr s LYS 354 Cb 0.00 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 3kjr s LYS 354 CO 0.00 0.60 0.00 0.41 -0.92 0.00 0.00 175.35 175.44 3kjr n GLY 355 N 2.45 -1.97 3.54 -3.33 0.00 -1.26 -4.58 105.19 100.04 3kjr n GLY 355 Ca -0.18 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 3kjr n GLY 355 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kjr s ILE 356 N -0.66 4.61 -1.15 -0.61 1.01 0.44 -4.78 121.20 120.06 3kjr s ILE 356 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.37 3kjr s ILE 356 Cb 0.00 -3.13 0.08 0.00 0.01 0.00 0.00 42.46 39.42 3kjr s ILE 356 CO 0.00 0.38 1.55 -0.62 0.00 0.00 0.00 174.94 176.25 3kjr s ASP 357 N 1.12 6.71 0.26 3.58 -1.08 -1.22 -1.58 116.67 124.47 3kjr s ASP 357 Ca 0.05 -2.08 -0.05 0.00 -0.52 0.00 0.00 52.55 49.95 3kjr s ASP 357 Cb -0.14 -2.55 0.32 0.00 -1.46 0.00 0.00 42.92 39.09 3kjr s ASP 357 CO 0.03 -1.26 1.93 1.56 0.52 0.00 0.00 175.17 177.96 3kjr h GLN 358 N 8.50 1.25 -0.11 4.34 4.20 -1.49 -0.39 115.11 131.40 3kjr h GLN 358 Ca 0.32 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 3kjr h GLN 358 Cb 0.94 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 3kjr h GLN 358 CO 1.40 0.83 0.01 1.25 -0.67 0.00 0.00 178.83 181.65 3kjr h LEU 359 N 1.29 0.19 -0.50 1.46 5.85 -1.61 -0.93 115.31 121.07 3kjr h LEU 359 Ca 0.37 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3kjr h LEU 359 Cb -0.10 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3kjr h LEU 359 CO -0.09 0.42 0.31 0.00 -0.34 0.00 0.00 178.44 178.74 3kjr h ALA 360 N 0.78 0.63 -0.64 1.25 0.00 -1.76 -2.67 119.26 116.84 3kjr h ALA 360 Ca 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3kjr h ALA 360 Cb 0.31 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3kjr h ALA 360 CO 0.00 0.04 0.11 0.93 0.00 0.00 0.00 179.25 180.33 3kjr h GLU 361 N 0.64 1.05 -0.48 0.00 5.08 -0.96 -1.65 114.58 118.25 3kjr h GLU 361 Ca 0.19 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 3kjr h GLU 361 Cb -0.04 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3kjr h GLU 361 CO -0.06 0.96 0.01 0.97 -1.00 0.00 0.00 179.01 179.89 3kjr h ILE 362 N 0.99 1.26 -0.20 3.13 2.10 -1.08 0.81 117.51 124.51 3kjr h ILE 362 Ca 0.20 -1.04 0.00 0.00 1.08 0.00 0.00 64.86 65.10 3kjr h ILE 362 Cb 0.42 0.99 -0.01 0.00 -1.09 0.00 0.00 36.82 37.12 3kjr h ILE 362 CO 0.01 0.37 0.13 0.40 -1.08 0.00 0.00 178.15 177.98 3kjr h ILE 363 N 0.70 1.06 -0.79 2.19 2.04 -1.37 -0.24 117.51 121.10 3kjr h ILE 363 Ca 0.14 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3kjr h ILE 363 Cb 0.49 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3kjr h ILE 363 CO 0.02 0.06 0.51 -1.13 0.00 0.00 0.00 178.15 177.60 3kjr h ASN 364 N 0.26 0.92 -0.41 1.72 -0.73 -1.19 -2.12 115.58 114.03 3kjr h ASN 364 Ca 0.07 -0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.18 3kjr h ASN 364 Cb -0.02 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.32 3kjr h ASN 364 CO -0.02 0.68 0.16 -0.09 -0.37 0.00 0.00 177.43 177.80 3kjr h ARG 365 N 1.07 0.62 -0.56 6.67 2.43 -0.60 -0.76 114.38 123.25 3kjr h ARG 365 Ca 0.29 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 59.40 3kjr h ARG 365 Cb -0.09 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.30 3kjr h ARG 365 CO -0.06 0.59 0.26 0.82 -1.51 0.00 0.00 179.97 180.07 3kjr h ILE 366 N 0.52 0.89 -0.66 1.20 2.04 -0.87 0.55 117.51 121.18 3kjr h ILE 366 Ca 0.14 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 3kjr h ILE 366 Cb 0.20 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3kjr h ILE 366 CO -0.01 0.09 0.17 0.11 0.00 0.00 0.00 178.15 178.51 3kjr h LYS 367 N 0.49 1.04 0.10 2.37 1.57 -0.96 -3.07 116.57 118.11 3kjr h LYS 367 Ca 0.26 -0.23 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 3kjr h LYS 367 Cb 0.22 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.40 3kjr h LYS 367 CO -0.21 0.91 -0.76 1.15 -0.57 0.00 0.00 179.45 179.97 3kjr h THR 368 N 0.99 1.46 -2.16 -0.16 2.02 -0.50 -3.44 112.91 111.13 3kjr h THR 368 Ca 0.21 -2.45 -0.49 0.00 0.77 0.00 0.00 66.41 64.45 3kjr h THR 368 Cb 0.34 3.11 -0.34 0.00 -1.74 0.00 0.00 68.15 69.51 3kjr h THR 368 CO -0.00 0.67 -0.84 0.20 0.37 0.00 0.00 175.52 175.92 3kjr s ASN 369 N -6.81 1.30 0.39 4.18 0.01 0.19 -5.02 114.94 109.18 3kjr s ASN 369 Ca -0.17 -2.46 0.28 0.00 -0.71 0.00 0.00 52.86 49.81 3kjr s ASN 369 Cb 0.01 0.05 1.20 0.00 0.41 0.00 0.00 41.25 42.92 3kjr s ASN 369 CO 0.77 -0.20 1.84 1.55 -1.51 0.00 0.00 177.10 179.56 3kjr h PRO 370 N 6.09 0.00 -0.01 -0.60 0.13 -1.67 -1.70 132.00 134.23 3kjr h PRO 370 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3kjr h PRO 370 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3kjr h PRO 370 CO 0.27 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.13 3kjr n ASN 371 N -2.59 0.60 -4.67 1.44 3.02 -1.26 -4.07 115.26 107.73 3kjr n ASN 371 Ca 0.01 -1.25 -0.46 0.00 -0.03 0.00 0.00 54.58 52.86 3kjr n ASN 371 Cb 0.24 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.37 3kjr n ASN 371 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3kjr n ASP 372 N -0.51 2.96 -0.50 6.41 -0.08 -0.64 -4.87 116.55 119.32 3kjr n ASP 372 Ca 0.21 1.10 0.04 0.00 -1.51 0.00 0.00 54.79 54.63 3kjr n ASP 372 Cb 0.20 -1.42 0.12 0.00 2.34 0.00 0.00 41.12 42.36 3kjr n ASP 372 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3kjr n ARG 373 N 3.09 1.64 -0.62 -0.67 1.74 -1.26 -4.23 116.66 116.34 3kjr n ARG 373 Ca 0.16 -0.97 0.04 0.00 -0.77 0.00 0.00 57.85 56.31 3kjr n ARG 373 Cb 0.29 -1.22 0.20 0.00 -1.02 0.00 0.00 32.46 30.71 3kjr n ARG 373 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kjr n ARG 374 N 0.28 1.65 -2.62 5.56 1.74 -1.26 -4.94 116.66 117.08 3kjr n ARG 374 Ca 0.09 -3.23 -0.43 0.00 -0.77 0.00 0.00 57.85 53.51 3kjr n ARG 374 Cb 0.23 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 3kjr n ARG 374 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kjr n LEU 375 N -1.13 5.33 -4.10 0.55 4.77 -1.26 -4.92 117.00 116.23 3kjr n LEU 375 Ca 0.23 -4.18 -0.21 0.00 -0.03 0.00 0.00 56.01 51.81 3kjr n LEU 375 Cb 0.78 -1.68 -0.15 0.00 -2.33 0.00 0.00 43.42 40.05 3kjr n LEU 375 CO 0.03 0.52 -0.47 -0.63 -1.33 0.00 0.00 177.39 175.51 3kjr s ILE 376 N 2.93 1.06 -0.15 -0.08 1.01 -1.26 -0.35 121.20 124.35 3kjr s ILE 376 Ca 0.48 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.50 3kjr s ILE 376 Cb 0.03 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.60 3kjr s ILE 376 CO 0.03 0.24 -0.17 -0.69 0.00 0.00 0.00 174.94 174.36 3kjr s VAL 377 N -0.41 2.50 -0.16 2.92 1.01 -0.12 -4.93 120.40 121.22 3kjr s VAL 377 Ca 0.04 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3kjr s VAL 377 Cb -0.06 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3kjr s VAL 377 CO -0.00 0.52 -0.21 0.00 0.00 0.00 0.00 175.10 175.41 3kjr n SER 379 N 4.30 2.60 -4.51 0.00 7.64 -0.12 -4.76 113.62 118.77 3kjr n SER 379 Ca -0.20 -1.80 -0.43 0.00 1.01 0.00 0.00 58.87 57.44 3kjr n SER 379 Cb 0.51 0.14 -0.01 0.00 -1.01 0.00 0.00 64.21 63.85 3kjr n SER 379 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 3kjr s TRP 380 N -2.02 3.13 -0.64 1.43 -0.11 -1.09 -4.79 118.94 114.84 3kjr s TRP 380 Ca 0.24 -1.78 -0.18 0.00 1.22 0.00 0.00 56.10 55.60 3kjr s TRP 380 Cb 0.18 -4.50 0.13 0.00 -1.50 0.00 0.00 33.47 27.78 3kjr s TRP 380 CO 0.36 -1.60 0.70 1.21 -4.62 0.00 0.00 176.95 173.01 3kjr s ASN 381 N 3.58 6.30 0.25 5.86 3.84 -1.26 -4.92 114.94 128.59 3kjr s ASN 381 Ca 0.46 -1.73 -0.04 0.00 0.21 0.00 0.00 52.86 51.76 3kjr s ASN 381 Cb -0.00 -2.28 0.36 0.00 -0.55 0.00 0.00 41.25 38.78 3kjr s ASN 381 CO 0.01 -0.98 1.86 0.58 -2.79 0.00 0.00 177.10 175.78 3kjr h VAL 382 N 5.75 1.06 0.00 -5.21 2.07 -2.01 0.15 116.25 118.07 3kjr h VAL 382 Ca -0.20 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3kjr h VAL 382 Cb 1.08 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3kjr h VAL 382 CO 1.04 0.19 -0.01 0.28 0.02 0.00 0.00 177.57 179.10 3kjr h SER 383 N 1.05 0.00 -0.00 0.57 0.02 -2.02 -2.96 113.55 110.22 3kjr h SER 383 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3kjr h SER 383 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3kjr h SER 383 CO -0.17 0.01 -0.88 0.47 -1.14 0.00 0.00 176.83 175.11 3kjr n ASP 384 N -3.13 1.06 -0.12 3.07 8.00 0.50 -4.63 116.55 121.30 3kjr n ASP 384 Ca -0.02 -1.03 -0.05 0.00 0.71 0.00 0.00 54.79 54.40 3kjr n ASP 384 Cb 0.15 0.94 0.01 0.00 -0.02 0.00 0.00 41.12 42.21 3kjr n ASP 384 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kjr h LEU 385 N 0.28 -0.64 0.00 0.64 3.38 -1.31 -0.19 115.31 117.48 3kjr h LEU 385 Ca 0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3kjr h LEU 385 Cb 0.50 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3kjr h LEU 385 CO 0.00 -0.22 0.00 2.29 0.09 0.00 0.00 178.44 180.60 3kjr n LYS 386 N -5.37 0.15 0.00 1.13 2.85 -1.26 -0.96 118.16 114.70 3kjr n LYS 386 Ca 0.03 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.34 3kjr n LYS 386 Cb 0.28 -1.49 0.02 0.00 -0.65 0.00 0.00 35.03 33.20 3kjr n LYS 386 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3kjr n LYS 387 N -0.99 1.45 -4.15 -1.58 5.02 -0.09 -4.94 118.16 112.88 3kjr n LYS 387 Ca 0.04 -0.88 -0.31 0.00 -2.02 0.00 0.00 58.31 55.13 3kjr n LYS 387 Cb 0.02 -1.17 -0.08 0.00 -0.02 0.00 0.00 35.03 33.78 3kjr n LYS 387 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3kjr s MET 388 N -1.28 2.79 0.09 1.97 -1.94 -0.13 -4.29 119.30 116.51 3kjr s MET 388 Ca 0.11 -0.67 0.10 0.00 -1.71 0.00 0.00 55.69 53.51 3kjr s MET 388 Cb 0.09 -2.68 -0.19 0.00 2.01 0.00 0.00 34.83 34.07 3kjr s MET 388 CO 0.23 0.59 1.11 0.00 -0.01 0.00 0.00 175.02 176.94 3kjr h ALA 389 N 3.78 0.51 -3.25 3.03 0.00 -1.82 -3.44 119.26 118.07 3kjr h ALA 389 Ca -0.48 -1.02 -0.67 0.00 0.00 0.00 0.00 54.91 52.74 3kjr h ALA 389 Cb 1.17 0.04 -0.33 0.00 0.00 0.00 0.00 17.79 18.68 3kjr h ALA 389 CO 0.61 1.27 -0.86 -0.51 0.00 0.00 0.00 179.25 179.77 3kjr s LEU 390 N -6.48 2.20 0.68 0.00 1.02 -1.26 -5.09 118.68 109.74 3kjr s LEU 390 Ca -0.00 -0.55 -0.17 0.00 0.02 0.00 0.00 54.13 53.43 3kjr s LEU 390 Cb 0.09 -1.46 0.01 0.00 0.02 0.00 0.00 46.19 44.85 3kjr s LEU 390 CO 0.81 0.11 1.23 -2.84 0.02 0.00 0.00 176.35 175.68 3kjr s PRO 391 N 0.63 2.45 0.44 1.29 0.02 -1.26 -4.94 135.00 133.63 3kjr s PRO 391 Ca -0.11 1.84 -0.25 0.00 0.02 0.00 0.00 61.00 62.50 3kjr s PRO 391 Cb -0.16 -1.86 -0.09 0.00 0.02 0.00 0.00 34.50 32.41 3kjr s PRO 391 CO 0.02 -1.61 1.27 -2.30 -0.33 0.00 0.00 177.00 174.05 3kjr n PRO 392 N -2.25 1.87 -0.10 5.54 -0.02 -1.26 -4.96 135.00 133.82 3kjr n PRO 392 Ca 0.14 0.67 -0.14 0.00 -2.02 0.00 0.00 63.50 62.15 3kjr n PRO 392 Cb 0.50 -2.40 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 3kjr n PRO 392 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kjr s HIS 394 N -2.66 2.93 -1.96 0.00 0.00 -1.26 -0.60 115.29 111.73 3kjr s HIS 394 Ca -0.29 -1.34 0.21 0.00 -3.00 0.00 0.00 55.06 50.63 3kjr s HIS 394 Cb 0.07 -4.49 0.02 0.00 -4.00 0.00 0.00 32.58 24.17 3kjr s HIS 394 CO 0.42 -1.67 1.03 0.00 -1.00 0.00 0.00 174.74 173.52 3kjr s PHE 396 N -2.22 -1.06 0.05 0.00 2.19 -1.25 -0.94 117.98 114.76 3kjr s PHE 396 Ca 0.18 2.09 -0.00 0.00 0.33 0.00 0.00 56.93 59.52 3kjr s PHE 396 Cb 0.17 0.63 -0.04 0.00 -1.31 0.00 0.00 43.02 42.47 3kjr s PHE 396 CO 0.48 -0.52 -0.04 -0.59 1.83 0.00 0.00 175.22 176.38 3kjr s PHE 397 N 1.73 0.52 -0.02 10.12 -0.71 -0.48 -0.71 117.98 128.43 3kjr s PHE 397 Ca -0.10 -0.93 0.00 0.00 -1.04 0.00 0.00 56.93 54.87 3kjr s PHE 397 Cb -0.05 -0.37 0.02 0.00 -1.21 0.00 0.00 43.02 41.41 3kjr s PHE 397 CO -0.20 -0.31 0.01 -1.14 -1.34 0.00 0.00 175.22 172.25 3kjr s GLN 398 N -3.36 0.12 0.28 1.99 0.74 0.22 -0.95 119.66 118.70 3kjr s GLN 398 Ca 0.03 0.09 0.04 0.00 0.05 0.00 0.00 55.36 55.56 3kjr s GLN 398 Cb 0.04 -0.29 -0.03 0.00 1.10 0.00 0.00 33.01 33.83 3kjr s GLN 398 CO -0.07 -0.10 0.43 -0.06 -0.55 0.00 0.00 175.29 174.93 3kjr s PHE 399 N 0.76 3.42 -0.20 1.67 0.08 0.52 -0.65 117.98 123.58 3kjr s PHE 399 Ca -0.07 0.06 -0.17 0.00 0.12 0.00 0.00 56.93 56.87 3kjr s PHE 399 Cb -0.10 -1.71 0.05 0.00 -0.57 0.00 0.00 43.02 40.69 3kjr s PHE 399 CO -0.02 0.29 0.53 -0.47 -0.10 0.00 0.00 175.22 175.45 3kjr s TYR 400 N -2.10 -0.61 -0.08 0.36 5.04 -0.33 -4.58 117.35 115.04 3kjr s TYR 400 Ca 0.37 1.45 0.04 0.00 -2.44 0.00 0.00 57.07 56.49 3kjr s TYR 400 Cb -0.09 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.45 3kjr s TYR 400 CO 0.31 -0.30 -0.20 0.08 -1.34 0.00 0.00 175.55 174.10 3kjr s VAL 401 N 0.47 1.73 -0.15 3.14 1.01 -1.26 -0.24 120.40 125.11 3kjr s VAL 401 Ca -0.02 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 3kjr s VAL 401 Cb -0.04 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.87 3kjr s VAL 401 CO -0.02 0.49 0.39 -0.55 0.00 0.00 0.00 175.10 175.41 3kjr s SER 402 N 0.37 -0.43 -1.56 3.32 0.15 -0.71 -4.82 113.70 110.03 3kjr s SER 402 Ca -0.15 0.81 -0.14 0.00 0.70 0.00 0.00 55.95 57.17 3kjr s SER 402 Cb -0.16 0.79 0.10 0.00 -1.71 0.00 0.00 66.02 65.03 3kjr s SER 402 CO 0.06 -0.15 0.91 -0.67 1.20 0.00 0.00 173.24 174.60 3kjr n ASP 403 N 3.19 -4.15 -2.15 5.45 2.03 -1.26 -1.05 116.55 118.61 3kjr n ASP 403 Ca -0.16 -0.84 -0.21 0.00 0.52 0.00 0.00 54.79 54.10 3kjr n ASP 403 Cb 0.57 -3.61 -0.03 0.00 -0.72 0.00 0.00 41.12 37.33 3kjr n ASP 403 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3kjr n ASN 404 N -2.81 -5.80 -4.18 1.67 4.13 -1.26 -4.94 115.26 102.08 3kjr n ASN 404 Ca 0.02 0.13 -0.28 0.00 1.68 0.00 0.00 54.58 56.13 3kjr n ASN 404 Cb 0.53 -4.89 -0.16 0.00 -1.54 0.00 0.00 39.78 33.71 3kjr n ASN 404 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kjr s LYS 405 N -4.68 2.15 -0.17 3.52 1.02 -0.21 -0.53 119.74 120.84 3kjr s LYS 405 Ca 0.00 -0.72 -0.18 0.00 0.02 0.00 0.00 55.97 55.09 3kjr s LYS 405 Cb 0.00 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 3kjr s LYS 405 CO 0.00 0.27 0.47 -1.17 -0.92 0.00 0.00 175.35 174.00 3kjr s LEU 406 N 0.04 4.19 0.38 3.17 2.96 -0.25 -1.73 118.68 127.43 3kjr s LEU 406 Ca -0.06 0.68 0.08 0.00 -0.22 0.00 0.00 54.13 54.61 3kjr s LEU 406 Cb -0.13 -2.65 -0.06 0.00 0.50 0.00 0.00 46.19 43.85 3kjr s LEU 406 CO 0.03 -0.09 0.08 -0.44 -1.32 0.00 0.00 176.35 174.61 3kjr s SER 407 N 0.93 4.24 -0.09 3.68 0.01 0.67 -0.41 113.70 122.73 3kjr s SER 407 Ca 0.23 -1.08 -0.07 0.00 1.31 0.00 0.00 55.95 56.35 3kjr s SER 407 Cb -0.15 -0.50 0.03 0.00 0.21 0.00 0.00 66.02 65.61 3kjr s SER 407 CO 0.09 -0.39 0.23 0.00 0.41 0.00 0.00 173.24 173.59 3kjr s MET 409 N 0.42 2.54 -0.03 0.00 -2.45 0.18 -0.23 119.30 119.74 3kjr s MET 409 Ca -0.02 -0.72 0.06 0.00 -1.25 0.00 0.00 55.69 53.76 3kjr s MET 409 Cb -0.04 -1.97 -0.01 0.00 1.25 0.00 0.00 34.83 34.06 3kjr s MET 409 CO -0.02 0.14 -0.20 1.41 1.05 0.00 0.00 175.02 177.39 3kjr s MET 410 N 0.42 1.80 -0.33 4.11 1.75 -0.58 -0.61 119.30 125.88 3kjr s MET 410 Ca -0.17 -0.72 -0.12 0.00 -1.25 0.00 0.00 55.69 53.44 3kjr s MET 410 Cb -0.17 -1.66 -0.02 0.00 2.84 0.00 0.00 34.83 35.82 3kjr s MET 410 CO 0.07 0.38 0.20 -1.58 -0.65 0.00 0.00 175.02 173.45 3kjr s HIS 411 N -0.31 3.21 -0.34 4.11 2.46 0.11 -0.87 115.29 123.66 3kjr s HIS 411 Ca 0.04 -0.33 -0.08 0.00 0.47 0.00 0.00 55.06 55.16 3kjr s HIS 411 Cb -0.10 -2.42 0.03 0.00 -0.13 0.00 0.00 32.58 29.96 3kjr s HIS 411 CO 0.01 -0.38 0.12 -1.14 -2.47 0.00 0.00 174.74 170.88 3kjr s GLN 412 N 1.68 2.75 0.17 2.88 0.74 -0.22 -2.17 119.66 125.50 3kjr s GLN 412 Ca 0.06 -1.10 -0.12 0.00 0.05 0.00 0.00 55.36 54.24 3kjr s GLN 412 Cb -0.17 -3.51 0.08 0.00 1.10 0.00 0.00 33.01 30.51 3kjr s GLN 412 CO 0.09 -0.64 1.74 -0.09 -0.55 0.00 0.00 175.29 175.85 3kjr h ARG 413 N 8.27 0.88 -3.39 1.67 2.43 -1.16 -0.89 114.38 122.19 3kjr h ARG 413 Ca -0.25 -0.15 -0.29 0.00 -0.81 0.00 0.00 59.98 58.49 3kjr h ARG 413 Cb 1.09 -0.15 -0.34 0.00 -0.42 0.00 0.00 29.97 30.16 3kjr h ARG 413 CO 0.62 0.73 -0.68 0.45 -1.51 0.00 0.00 179.97 179.58 3kjr s SER 414 N -6.05 0.12 -0.30 -3.80 0.15 -1.26 -2.01 113.70 100.54 3kjr s SER 414 Ca -0.13 0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.66 3kjr s SER 414 Cb 0.13 0.03 0.10 0.00 -1.71 0.00 0.00 66.02 64.57 3kjr s SER 414 CO 0.79 -0.15 0.08 0.00 1.20 0.00 0.00 173.24 175.16 3kjr s ASP 416 N 1.58 5.92 0.25 0.00 -1.08 -1.26 -1.11 116.67 120.97 3kjr s ASP 416 Ca 0.09 0.14 -0.00 0.00 -0.52 0.00 0.00 52.55 52.25 3kjr s ASP 416 Cb -0.17 -2.54 0.32 0.00 -1.46 0.00 0.00 42.92 39.06 3kjr s ASP 416 CO -0.22 -1.91 1.69 -0.07 0.52 0.00 0.00 175.17 175.18 3kjr h LEU 417 N 13.91 0.62 0.73 -1.34 3.38 -1.40 0.70 115.31 131.91 3kjr h LEU 417 Ca -0.27 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 3kjr h LEU 417 Cb 1.10 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.69 3kjr h LEU 417 CO 1.21 0.83 -0.35 1.23 0.09 0.00 0.00 178.44 181.45 3kjr h GLY 418 N 0.99 -1.03 0.03 0.83 0.00 -1.90 -3.39 103.07 98.61 3kjr h GLY 418 Ca 0.08 0.38 -0.39 0.00 0.00 0.00 0.00 47.33 47.41 3kjr h GLY 418 CO 0.05 -0.37 -2.45 1.04 0.00 0.00 0.00 176.54 174.80 3kjr n LEU 419 N -5.43 2.85 -0.08 3.11 4.77 -1.24 -4.70 117.00 116.30 3kjr n LEU 419 Ca -0.12 -0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 55.60 3kjr n LEU 419 Cb 0.39 -0.87 -0.11 0.00 -2.33 0.00 0.00 43.42 40.50 3kjr n LEU 419 CO 0.30 0.92 0.10 1.23 -1.33 0.00 0.00 177.39 178.60 3kjr h GLY 420 N 2.03 0.00 0.47 -0.72 0.00 -1.25 -3.37 103.07 100.23 3kjr h GLY 420 Ca -0.57 0.00 0.10 0.00 0.00 0.00 0.00 47.33 46.86 3kjr h GLY 420 CO -0.08 0.00 0.46 -2.08 0.00 0.00 0.00 176.54 174.85 3kjr h VAL 421 N -1.00 0.88 -0.72 4.60 2.07 -1.15 -1.30 116.25 119.63 3kjr h VAL 421 Ca -0.09 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3kjr h VAL 421 Cb 0.97 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3kjr h VAL 421 CO -0.05 0.14 0.45 -0.65 0.02 0.00 0.00 177.57 177.48 3kjr h PRO 422 N 0.76 0.96 -0.34 1.57 0.11 -1.78 -1.19 132.00 132.08 3kjr h PRO 422 Ca 0.41 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.46 3kjr h PRO 422 Cb 0.42 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 3kjr h PRO 422 CO -0.27 0.65 0.21 0.74 -0.21 0.00 0.00 178.00 179.13 3kjr h PHE 423 N 0.98 0.40 -0.58 0.65 -1.00 -1.43 -2.92 116.94 113.05 3kjr h PHE 423 Ca 0.26 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 61.04 3kjr h PHE 423 Cb -0.08 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 39.32 3kjr h PHE 423 CO 0.00 0.25 0.31 -0.91 -1.61 0.00 0.00 178.31 176.35 3kjr h ASN 424 N 0.44 0.73 -0.04 2.17 4.21 -0.50 0.72 115.58 123.31 3kjr h ASN 424 Ca 0.13 -0.10 0.02 0.00 1.21 0.00 0.00 56.30 57.57 3kjr h ASN 424 Cb -0.02 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 36.97 3kjr h ASN 424 CO -0.05 0.61 -0.08 0.40 -1.29 0.00 0.00 177.43 177.03 3kjr h ILE 425 N 0.78 0.78 -0.37 2.81 2.04 -1.25 -1.59 117.51 120.71 3kjr h ILE 425 Ca 0.20 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.91 3kjr h ILE 425 Cb 0.05 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3kjr h ILE 425 CO -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.77 3kjr h ALA 426 N 0.90 0.55 0.07 1.87 0.00 -1.35 -2.58 119.26 118.72 3kjr h ALA 426 Ca 0.05 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3kjr h ALA 426 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kjr h ALA 426 CO -0.11 0.62 -0.03 1.03 0.00 0.00 0.00 179.25 180.76 3kjr h SER 427 N 0.71 -0.08 0.67 0.00 0.87 -0.67 -1.04 113.55 114.00 3kjr h SER 427 Ca 0.06 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.52 3kjr h SER 427 Cb 0.94 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 3kjr h SER 427 CO 0.09 -0.05 -0.51 1.88 -0.53 0.00 0.00 176.83 177.71 3kjr h TYR 428 N -0.09 0.00 -0.43 2.24 -1.99 -1.36 -1.27 116.97 114.07 3kjr h TYR 428 Ca -0.01 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.65 3kjr h TYR 428 Cb 0.07 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 3kjr h TYR 428 CO -0.08 0.51 -0.01 0.77 -0.00 0.00 0.00 178.16 179.35 3kjr h SER 429 N 0.00 0.75 0.07 3.88 0.02 -1.21 -0.78 113.55 116.29 3kjr h SER 429 Ca -0.01 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.63 3kjr h SER 429 Cb 0.98 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.31 3kjr h SER 429 CO 0.07 0.89 -0.04 0.40 -1.14 0.00 0.00 176.83 177.01 3kjr h ILE 430 N 0.60 0.97 -0.60 3.27 2.04 -0.99 -1.82 117.51 120.99 3kjr h ILE 430 Ca 0.12 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 65.92 3kjr h ILE 430 Cb 0.51 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.59 3kjr h ILE 430 CO 0.02 0.04 0.20 0.25 0.00 0.00 0.00 178.15 178.67 3kjr h LEU 431 N -0.17 0.18 -0.33 1.44 5.85 -1.16 0.23 115.31 121.35 3kjr h LEU 431 Ca -0.01 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3kjr h LEU 431 Cb 0.14 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3kjr h LEU 431 CO 0.02 0.11 0.21 0.74 -0.34 0.00 0.00 178.44 179.17 3kjr h THR 432 N 0.37 1.11 -0.87 1.05 2.02 -1.05 -0.22 112.91 115.32 3kjr h THR 432 Ca 0.30 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 67.26 3kjr h THR 432 Cb 0.39 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 3kjr h THR 432 CO -0.32 0.11 0.57 0.00 0.37 0.00 0.00 175.52 176.25 3kjr h ALA 433 N 1.09 1.13 -0.04 6.16 0.00 -0.69 0.15 119.26 127.05 3kjr h ALA 433 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kjr h ALA 433 Cb -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3kjr h ALA 433 CO -0.02 0.47 0.02 0.52 0.00 0.00 0.00 179.25 180.23 3kjr h MET 434 N 1.15 0.06 -0.60 0.00 2.07 -0.60 -1.05 114.93 115.96 3kjr h MET 434 Ca 0.33 -0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.94 3kjr h MET 434 Cb -0.07 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 29.62 3kjr h MET 434 CO -0.09 0.22 0.33 0.28 1.07 0.00 0.00 176.91 178.72 3kjr h VAL 435 N -0.11 1.19 -0.64 -2.22 2.07 -0.86 -1.28 116.25 114.41 3kjr h VAL 435 Ca 0.01 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3kjr h VAL 435 Cb 0.19 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3kjr h VAL 435 CO -0.00 0.21 0.39 0.00 0.02 0.00 0.00 177.57 178.19 3kjr h ALA 436 N 1.15 0.84 -0.10 1.67 0.00 -0.62 -1.89 119.26 120.30 3kjr h ALA 436 Ca 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kjr h ALA 436 Cb 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3kjr h ALA 436 CO -0.03 0.14 0.05 0.37 0.00 0.00 0.00 179.25 179.77 3kjr h GLN 437 N 0.77 0.15 0.00 0.00 4.15 -0.78 0.25 115.11 119.65 3kjr h GLN 437 Ca 0.26 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 3kjr h GLN 437 Cb 0.04 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.70 3kjr h GLN 437 CO -0.11 0.22 -0.11 -0.39 -1.93 0.00 0.00 178.83 176.51 3kjr h VAL 438 N 0.05 0.38 -0.53 2.39 -1.51 -1.03 -2.37 116.25 113.63 3kjr h VAL 438 Ca 0.04 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 3kjr h VAL 438 Cb 0.12 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3kjr h VAL 438 CO -0.00 0.11 0.00 0.00 -1.23 0.00 0.00 177.57 176.44 3kjr n GLY 440 N 1.58 -0.12 3.61 0.00 0.00 -0.67 -4.89 105.19 104.68 3kjr n GLY 440 Ca 0.22 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3kjr n GLY 440 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjr s LEU 441 N -4.79 3.10 0.00 0.99 1.43 0.78 -5.03 118.68 115.17 3kjr s LEU 441 Ca 0.24 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 3kjr s LEU 441 Cb -0.10 -1.75 0.22 0.00 0.03 0.00 0.00 46.19 44.59 3kjr s LEU 441 CO 0.29 0.08 1.01 0.61 0.23 0.00 0.00 176.35 178.57 3kjr n GLY 442 N -0.20 -2.02 3.60 -3.19 0.00 0.31 -4.31 105.19 99.38 3kjr n GLY 442 Ca -0.09 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 3kjr n GLY 442 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjr s LEU 443 N 0.00 3.53 0.00 0.99 1.43 -1.26 -1.10 118.68 122.27 3kjr s LEU 443 Ca 0.61 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 3kjr s LEU 443 Cb -0.03 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.34 3kjr s LEU 443 CO 0.44 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.87 3kjr n GLY 444 N 3.10 0.73 3.30 -3.19 0.00 0.46 -4.12 105.19 105.47 3kjr n GLY 444 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 3kjr n GLY 444 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kjr s GLU 445 N 3.28 1.31 -0.24 1.61 2.02 -1.25 -1.05 118.70 124.38 3kjr s GLU 445 Ca 0.00 -1.14 -0.14 0.00 0.02 0.00 0.00 54.97 53.71 3kjr s GLU 445 Cb 0.00 -1.58 -0.04 0.00 0.10 0.00 0.00 34.13 32.61 3kjr s GLU 445 CO 0.00 0.38 0.32 0.12 0.02 0.00 0.00 175.26 176.10 3kjr s PHE 446 N -1.02 3.30 -0.23 1.61 5.36 -0.05 -1.56 117.98 125.39 3kjr s PHE 446 Ca 0.09 0.41 -0.05 0.00 -0.96 0.00 0.00 56.93 56.42 3kjr s PHE 446 Cb -0.10 -2.48 -0.02 0.00 -0.34 0.00 0.00 43.02 40.09 3kjr s PHE 446 CO 0.04 -0.09 -0.00 0.08 -1.46 0.00 0.00 175.22 173.78 3kjr s VAL 447 N 1.60 3.74 -0.29 3.12 1.01 0.69 -0.57 120.40 129.69 3kjr s VAL 447 Ca 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 3kjr s VAL 447 Cb -0.15 -2.72 0.05 0.00 0.00 0.00 0.00 36.38 33.56 3kjr s VAL 447 CO 0.08 0.39 -0.02 -2.28 0.00 0.00 0.00 175.10 173.27 3kjr s HIS 448 N 1.51 3.25 -0.23 5.22 2.46 0.12 -1.52 115.29 126.09 3kjr s HIS 448 Ca 0.06 -1.91 -0.15 0.00 0.47 0.00 0.00 55.06 53.53 3kjr s HIS 448 Cb -0.15 -2.08 -0.04 0.00 -0.13 0.00 0.00 32.58 30.19 3kjr s HIS 448 CO -0.01 -0.81 0.38 -0.80 -2.47 0.00 0.00 174.74 171.03 3kjr s ASN 449 N 1.24 6.35 -0.22 9.88 0.01 -0.05 -0.75 114.94 131.39 3kjr s ASN 449 Ca -0.05 0.40 -0.08 0.00 -0.71 0.00 0.00 52.86 52.42 3kjr s ASN 449 Cb -0.20 -2.22 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 3kjr s ASN 449 CO -0.02 -0.12 0.08 -0.76 -1.51 0.00 0.00 177.10 174.77 3kjr s LEU 450 N 1.62 3.68 0.00 0.60 1.43 -0.06 -1.05 118.68 124.90 3kjr s LEU 450 Ca 0.17 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 3kjr s LEU 450 Cb -0.15 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.11 3kjr s LEU 450 CO 0.08 0.06 0.00 0.00 0.23 0.00 0.00 176.35 176.73 3kjr n ALA 451 N 4.28 0.00 -2.55 4.21 0.00 -0.34 -1.23 120.51 124.88 3kjr n ALA 451 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 3kjr n ALA 451 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 3kjr n ALA 451 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kjr s ASP 452 N -1.00 6.22 -0.25 0.00 3.68 -0.85 -1.39 116.67 123.08 3kjr s ASP 452 Ca 0.00 -0.29 -0.12 0.00 2.13 0.00 0.00 52.55 54.27 3kjr s ASP 452 Cb 0.00 -2.56 -0.05 0.00 -1.45 0.00 0.00 42.92 38.87 3kjr s ASP 452 CO 0.00 -1.76 0.23 0.00 0.13 0.00 0.00 175.17 173.78 3kjr s ALA 453 N 5.58 3.57 0.04 3.66 0.00 -0.39 -0.53 121.76 133.70 3kjr s ALA 453 Ca 0.38 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 3kjr s ALA 453 Cb -0.08 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 3kjr s ALA 453 CO 0.18 -0.38 0.01 -3.38 0.00 0.00 0.00 175.76 172.19 3kjr s HIS 454 N 1.44 0.36 -0.16 0.00 -0.00 -0.26 -1.39 115.29 115.28 3kjr s HIS 454 Ca 0.10 -0.78 0.01 0.00 -0.00 0.00 0.00 55.06 54.38 3kjr s HIS 454 Cb -0.15 -0.27 0.02 0.00 -0.00 0.00 0.00 32.58 32.19 3kjr s HIS 454 CO 0.08 -0.34 -0.16 0.42 -0.00 0.00 0.00 174.74 174.74 3kjr s ILE 455 N -3.00 1.74 0.39 -5.38 1.01 0.05 -0.89 121.20 115.12 3kjr s ILE 455 Ca -0.02 -0.77 -0.27 0.00 0.00 0.00 0.00 60.65 59.59 3kjr s ILE 455 Cb 0.01 -1.62 -0.10 0.00 0.01 0.00 0.00 42.46 40.76 3kjr s ILE 455 CO -0.07 0.46 1.45 -0.31 0.00 0.00 0.00 174.94 176.47 3kjr s TYR 456 N 1.41 2.60 0.47 3.97 2.02 -1.26 -0.92 117.35 125.64 3kjr s TYR 456 Ca 0.04 1.23 0.13 0.00 -0.37 0.00 0.00 57.07 58.10 3kjr s TYR 456 Cb -0.13 -3.95 1.10 0.00 -0.40 0.00 0.00 41.96 38.58 3kjr s TYR 456 CO -0.11 -2.84 2.11 -0.39 -1.57 0.00 0.00 175.55 172.74 3kjr h VAL 457 N 2.77 1.05 0.00 0.71 -1.51 -1.42 0.74 116.25 118.58 3kjr h VAL 457 Ca -0.51 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 3kjr h VAL 457 Cb 1.25 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 3kjr h VAL 457 CO 0.63 0.05 0.00 -0.90 -1.23 0.00 0.00 177.57 176.12 3kjr n ASP 458 N -4.51 0.00 -0.35 4.19 3.85 -1.26 -2.41 116.55 116.07 3kjr n ASP 458 Ca -0.01 -1.17 0.09 0.00 -0.71 0.00 0.00 54.79 52.99 3kjr n ASP 458 Cb 0.09 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 39.83 3kjr n ASP 458 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 3kjr n HIS 459 N -0.89 0.00 -0.05 2.11 8.25 0.25 -4.73 115.22 120.16 3kjr n HIS 459 Ca 0.18 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.56 3kjr n HIS 459 Cb 0.08 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 3kjr n HIS 459 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3kjr h VAL 460 N 1.70 0.41 -0.40 1.59 2.07 -1.42 -0.78 116.25 119.43 3kjr h VAL 460 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kjr h VAL 460 Cb 0.61 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3kjr h VAL 460 CO 0.00 0.00 0.23 0.44 0.02 0.00 0.00 177.57 178.26 3kjr h ASP 461 N -0.23 0.48 -0.57 0.57 3.32 -1.85 -1.11 116.42 117.04 3kjr h ASP 461 Ca 0.14 -0.07 0.10 0.00 0.02 0.00 0.00 57.03 57.22 3kjr h ASP 461 Cb 0.44 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 39.79 3kjr h ASP 461 CO -0.38 0.41 0.15 0.00 -1.72 0.00 0.00 179.24 177.69 3kjr h ALA 462 N 1.09 0.69 0.00 3.45 0.00 -1.74 -1.44 119.26 121.30 3kjr h ALA 462 Ca 0.14 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 3kjr h ALA 462 Cb 0.02 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3kjr h ALA 462 CO -0.03 -0.28 -0.81 -0.39 0.00 0.00 0.00 179.25 177.75 3kjr h VAL 463 N 0.29 1.46 -0.49 0.00 -1.51 -0.84 -1.64 116.25 113.51 3kjr h VAL 463 Ca 0.29 -2.88 0.02 0.00 -1.23 0.00 0.00 66.70 62.91 3kjr h VAL 463 Cb 0.41 2.60 -0.03 0.00 -2.13 0.00 0.00 31.29 32.14 3kjr h VAL 463 CO -0.35 0.79 0.29 0.74 -1.23 0.00 0.00 177.57 177.80 3kjr h THR 464 N 0.00 1.04 -0.60 7.19 2.02 -0.94 -0.73 112.91 120.90 3kjr h THR 464 Ca -0.01 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.01 3kjr h THR 464 Cb 1.54 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 3kjr h THR 464 CO 0.10 0.10 0.35 0.74 0.37 0.00 0.00 175.52 177.19 3kjr h THR 465 N 0.57 1.04 -0.38 3.16 2.02 -1.09 -3.24 112.91 114.99 3kjr h THR 465 Ca 0.20 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 3kjr h THR 465 Cb 0.03 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3kjr h THR 465 CO -0.09 0.12 -0.12 -0.61 0.37 0.00 0.00 175.52 175.19 3kjr h GLN 466 N 0.68 0.75 0.00 6.66 4.15 -0.56 -3.01 115.11 123.79 3kjr h GLN 466 Ca 0.25 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3kjr h GLN 466 Cb 0.07 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.72 3kjr h GLN 466 CO -0.12 0.91 0.00 0.44 -1.93 0.00 0.00 178.83 178.13 3kjr n ILE 467 N -4.33 0.91 0.67 2.39 -5.35 -0.35 -1.64 119.36 111.65 3kjr n ILE 467 Ca -0.02 0.28 0.12 0.00 -0.27 0.00 0.00 62.75 62.87 3kjr n ILE 467 Cb 0.37 -1.18 0.29 0.00 -1.74 0.00 0.00 39.64 37.38 3kjr n ILE 467 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kjr n ALA 468 N -1.71 2.74 -2.26 -1.28 0.00 -1.14 -0.48 120.51 116.38 3kjr n ALA 468 Ca 0.02 -0.18 -0.40 0.00 0.00 0.00 0.00 53.44 52.89 3kjr n ALA 468 Cb 0.20 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.31 3kjr n ALA 468 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kjr s ARG 469 N -3.12 4.55 -0.14 0.00 0.52 -0.65 -4.67 118.95 115.43 3kjr s ARG 469 Ca 0.09 1.14 -0.29 0.00 -0.52 0.00 0.00 55.73 56.15 3kjr s ARG 469 Cb 0.14 -3.34 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 3kjr s ARG 469 CO 0.66 0.36 1.08 0.42 0.02 0.00 0.00 175.30 177.84 3kjr s ILE 470 N -0.36 4.60 0.34 1.52 -1.09 -1.26 -4.84 121.20 120.12 3kjr s ILE 470 Ca 0.39 1.90 -0.29 0.00 -2.23 0.00 0.00 60.65 60.42 3kjr s ILE 470 Cb -0.22 -4.22 -0.12 0.00 -1.58 0.00 0.00 42.46 36.33 3kjr s ILE 470 CO 0.25 -0.07 1.45 -2.65 -1.23 0.00 0.00 174.94 172.68 3kjr n PRO 471 N 5.65 2.49 -2.19 2.79 -0.02 -1.26 -4.87 135.00 137.58 3kjr n PRO 471 Ca 0.11 0.87 -0.29 0.00 -2.02 0.00 0.00 63.50 62.18 3kjr n PRO 471 Cb 0.47 -2.57 0.02 0.00 -0.02 0.00 0.00 33.50 31.40 3kjr n PRO 471 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3kjr s HIS 472 N -0.86 3.43 0.31 6.00 3.76 -1.26 -5.03 115.29 121.65 3kjr s HIS 472 Ca 0.57 0.94 -0.29 0.00 -0.15 0.00 0.00 55.06 56.12 3kjr s HIS 472 Cb -0.52 -2.72 -0.12 0.00 1.11 0.00 0.00 32.58 30.33 3kjr s HIS 472 CO 0.60 -0.76 1.40 -2.30 -0.85 0.00 0.00 174.74 172.83 3kjr n PRO 473 N -2.66 2.26 -1.36 8.40 -0.02 -1.26 -4.84 135.00 135.52 3kjr n PRO 473 Ca 0.05 0.80 -0.36 0.00 -2.02 0.00 0.00 63.50 61.97 3kjr n PRO 473 Cb 0.56 -2.45 0.09 0.00 -0.02 0.00 0.00 33.50 31.68 3kjr n PRO 473 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kjr n PHE 474 N 1.08 0.59 -0.63 6.00 3.72 -1.26 -4.65 117.46 122.31 3kjr n PHE 474 Ca 0.07 0.39 0.00 0.00 -0.05 0.00 0.00 57.45 57.86 3kjr n PHE 474 Cb 0.35 -2.07 0.00 0.00 -0.94 0.00 0.00 39.48 36.82 3kjr n PHE 474 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3kjr n PRO 475 N -1.78 0.06 -4.09 -1.08 -0.04 -1.24 -4.68 135.00 122.14 3kjr n PRO 475 Ca 0.13 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 3kjr n PRO 475 Cb 0.49 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.85 3kjr n PRO 475 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3kjr s ARG 476 N -2.21 0.62 -0.17 0.54 1.70 -0.74 -0.99 118.95 117.69 3kjr s ARG 476 Ca 0.00 -0.97 -0.06 0.00 -0.47 0.00 0.00 55.73 54.23 3kjr s ARG 476 Cb 0.00 -0.19 -0.04 0.00 -0.57 0.00 0.00 34.95 34.15 3kjr s ARG 476 CO 0.00 0.01 0.03 -1.17 -1.08 0.00 0.00 175.30 173.08 3kjr s LEU 477 N -2.16 3.62 -0.20 -1.89 2.96 -1.26 -0.48 118.68 119.27 3kjr s LEU 477 Ca -0.02 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3kjr s LEU 477 Cb -0.04 -1.90 0.04 0.00 0.50 0.00 0.00 46.19 44.80 3kjr s LEU 477 CO -0.02 0.18 -0.10 0.00 -1.32 0.00 0.00 176.35 175.09 3kjr s ARG 478 N 0.33 2.01 0.24 1.98 1.70 0.50 -4.99 118.95 120.72 3kjr s ARG 478 Ca 0.01 -0.87 -0.13 0.00 -0.47 0.00 0.00 55.73 54.27 3kjr s ARG 478 Cb -0.13 -2.44 -0.08 0.00 -0.57 0.00 0.00 34.95 31.73 3kjr s ARG 478 CO 0.01 -0.44 0.62 -0.51 -1.08 0.00 0.00 175.30 173.90 3kjr s LEU 479 N 1.39 4.19 -0.11 -1.89 1.43 -1.26 -1.90 118.68 120.53 3kjr s LEU 479 Ca -0.02 1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 53.90 3kjr s LEU 479 Cb -0.16 -3.70 -0.06 0.00 0.03 0.00 0.00 46.19 42.29 3kjr s LEU 479 CO -0.08 -0.06 2.08 0.21 0.23 0.00 0.00 176.35 178.72 3kjr s ASN 480 N -2.13 5.92 0.16 2.29 3.84 -0.02 -4.86 114.94 120.13 3kjr s ASN 480 Ca 0.47 2.19 0.19 0.00 0.21 0.00 0.00 52.86 55.93 3kjr s ASN 480 Cb -0.12 -2.52 0.82 0.00 -0.55 0.00 0.00 41.25 38.88 3kjr s ASN 480 CO 0.20 -1.54 1.60 -0.81 -2.79 0.00 0.00 177.10 173.75 3kjr n PRO 481 N 8.19 0.11 0.00 0.43 -0.04 -1.26 -2.60 135.00 139.83 3kjr n PRO 481 Ca 0.25 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 64.22 3kjr n PRO 481 Cb 0.43 -1.72 0.65 0.00 -0.04 0.00 0.00 33.50 32.82 3kjr n PRO 481 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3kjr n ASP 482 N -1.94 0.16 -4.66 3.54 8.00 -1.26 -4.81 116.55 115.58 3kjr n ASP 482 Ca 0.02 -0.10 -0.43 0.00 0.71 0.00 0.00 54.79 54.99 3kjr n ASP 482 Cb 0.19 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 3kjr n ASP 482 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kjr s ILE 483 N -2.69 4.55 -0.15 0.53 -1.09 -1.07 -4.90 121.20 116.38 3kjr s ILE 483 Ca 0.24 1.87 0.19 0.00 -2.23 0.00 0.00 60.65 60.72 3kjr s ILE 483 Cb 0.20 -4.21 -0.27 0.00 -1.58 0.00 0.00 42.46 36.60 3kjr s ILE 483 CO 0.50 -0.16 0.20 0.54 -1.23 0.00 0.00 174.94 174.79 3kjr n ARG 484 N 6.41 0.68 -5.00 2.79 5.12 -1.26 -4.74 116.66 120.66 3kjr n ARG 484 Ca 0.13 -0.05 -0.27 0.00 -1.93 0.00 0.00 57.85 55.72 3kjr n ARG 484 Cb 0.46 -1.53 -0.15 0.00 -1.16 0.00 0.00 32.46 30.07 3kjr n ARG 484 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3kjr s ASN 485 N -5.25 2.46 0.45 0.55 0.01 -1.26 -4.72 114.94 107.17 3kjr s ASN 485 Ca -0.09 -0.39 0.11 0.00 -0.71 0.00 0.00 52.86 51.78 3kjr s ASN 485 Cb 0.08 -0.27 1.00 0.00 0.41 0.00 0.00 41.25 42.47 3kjr s ASN 485 CO 0.85 0.25 2.05 -0.29 -1.51 0.00 0.00 177.10 178.45 3kjr h ILE 486 N 4.60 1.09 0.00 0.60 2.10 -1.93 -0.21 117.51 123.76 3kjr h ILE 486 Ca -0.40 -0.31 -0.01 0.00 1.08 0.00 0.00 64.86 65.22 3kjr h ILE 486 Cb 1.14 0.93 -0.00 0.00 -1.09 0.00 0.00 36.82 37.80 3kjr h ILE 486 CO 0.47 0.11 -0.05 -0.33 -1.08 0.00 0.00 178.15 177.27 3kjr h GLU 487 N 0.23 0.00 0.00 2.19 3.07 -1.96 -2.99 114.58 115.12 3kjr h GLU 487 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3kjr h GLU 487 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 3kjr h GLU 487 CO -0.00 0.05 -0.37 -0.25 -1.40 0.00 0.00 179.01 177.04 3kjr n ASP 488 N -3.53 0.60 -4.72 1.42 8.00 -0.09 -4.88 116.55 113.35 3kjr n ASP 488 Ca -0.02 0.21 -0.42 0.00 0.71 0.00 0.00 54.79 55.27 3kjr n ASP 488 Cb 0.16 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 3kjr n ASP 488 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3kjr s PHE 489 N -3.10 3.09 0.51 1.24 0.08 -1.13 -5.02 117.98 113.64 3kjr s PHE 489 Ca 0.09 0.71 0.04 0.00 0.12 0.00 0.00 56.93 57.90 3kjr s PHE 489 Cb 0.15 -3.88 0.01 0.00 -0.57 0.00 0.00 43.02 38.72 3kjr s PHE 489 CO 0.66 -3.19 0.25 0.95 -0.10 0.00 0.00 175.22 173.79 3kjr s THR 490 N 1.03 1.63 0.32 0.64 -4.23 -1.26 -5.01 115.64 108.76 3kjr s THR 490 Ca 0.68 -1.68 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 3kjr s THR 490 Cb -0.42 -2.31 0.22 0.00 1.34 0.00 0.00 72.50 71.33 3kjr s THR 490 CO 0.32 0.00 1.93 -0.29 -0.54 0.00 0.00 174.62 176.05 3kjr h ILE 491 N 1.05 1.19 0.00 2.99 2.10 -1.95 -1.08 117.51 121.81 3kjr h ILE 491 Ca -0.40 -0.52 0.00 0.00 1.08 0.00 0.00 64.86 65.02 3kjr h ILE 491 Cb 1.30 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 37.43 3kjr h ILE 491 CO 0.64 0.22 0.00 0.44 -1.08 0.00 0.00 178.15 178.37 3kjr h ASP 492 N 0.84 0.00 0.31 2.19 3.32 -2.01 -2.23 116.42 118.84 3kjr h ASP 492 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3kjr h ASP 492 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3kjr h ASP 492 CO -0.03 0.00 -0.17 0.47 -1.72 0.00 0.00 179.24 177.79 3kjr n ASP 493 N -2.73 0.72 -3.95 6.45 8.00 -0.41 -4.71 116.55 119.92 3kjr n ASP 493 Ca -0.01 -0.71 -0.30 0.00 0.71 0.00 0.00 54.79 54.48 3kjr n ASP 493 Cb 0.16 0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.13 3kjr n ASP 493 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kjr s ILE 494 N -2.48 2.18 -0.17 0.53 1.01 -0.84 -0.84 121.20 120.58 3kjr s ILE 494 Ca 0.27 -2.58 -0.00 0.00 0.00 0.00 0.00 60.65 58.34 3kjr s ILE 494 Cb 0.20 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 40.09 3kjr s ILE 494 CO 0.49 -0.69 -0.15 -0.69 0.00 0.00 0.00 174.94 173.90 3kjr s VAL 495 N 0.55 2.62 -0.25 2.92 1.01 -0.80 -4.99 120.40 121.47 3kjr s VAL 495 Ca 0.13 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 3kjr s VAL 495 Cb -0.21 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 3kjr s VAL 495 CO -0.07 0.51 0.19 -0.69 0.00 0.00 0.00 175.10 175.05 3kjr s VAL 496 N 1.03 5.33 0.03 2.92 1.01 -1.26 -0.37 120.40 129.08 3kjr s VAL 496 Ca -0.01 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.21 3kjr s VAL 496 Cb -0.15 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3kjr s VAL 496 CO -0.04 0.30 0.08 -1.61 0.00 0.00 0.00 175.10 173.84 3kjr s GLU 497 N 1.33 3.01 -1.05 2.72 0.41 0.36 -4.68 118.70 120.81 3kjr s GLU 497 Ca 0.08 -0.56 -0.07 0.00 -0.41 0.00 0.00 54.97 54.02 3kjr s GLU 497 Cb -0.14 -2.82 0.01 0.00 -1.78 0.00 0.00 34.13 29.40 3kjr s GLU 497 CO 0.07 0.62 0.88 -0.25 -0.49 0.00 0.00 175.26 176.09 3kjr n ASP 498 N 0.90 -5.35 -4.63 -0.19 8.00 -1.26 -1.80 116.55 112.21 3kjr n ASP 498 Ca -0.11 -0.40 -0.43 0.00 0.71 0.00 0.00 54.79 54.56 3kjr n ASP 498 Cb 0.52 -3.97 -0.03 0.00 -0.02 0.00 0.00 41.12 37.63 3kjr n ASP 498 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3kjr s TYR 499 N -3.23 3.15 -0.16 1.24 5.04 -1.26 -4.29 117.35 117.85 3kjr s TYR 499 Ca 0.44 1.07 0.01 0.00 -2.44 0.00 0.00 57.07 56.15 3kjr s TYR 499 Cb -0.19 -3.58 0.01 0.00 0.35 0.00 0.00 41.96 38.54 3kjr s TYR 499 CO 0.54 -0.73 -0.19 0.08 -1.34 0.00 0.00 175.55 173.91 3kjr s VAL 500 N 3.48 2.22 0.05 3.14 1.01 -1.26 -5.06 120.40 123.98 3kjr s VAL 500 Ca 0.42 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 3kjr s VAL 500 Cb -0.13 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3kjr s VAL 500 CO 0.15 0.54 -0.04 -0.94 0.00 0.00 0.00 175.10 174.81 3kjr s SER 501 N 0.98 0.57 1.04 3.32 1.04 -1.26 -4.74 113.70 114.66 3kjr s SER 501 Ca -0.03 -0.87 -0.12 0.00 0.48 0.00 0.00 55.95 55.41 3kjr s SER 501 Cb -0.15 0.15 0.21 0.00 0.10 0.00 0.00 66.02 66.34 3kjr s SER 501 CO -0.05 -0.49 1.08 -1.00 0.98 0.00 0.00 173.24 173.75 3kjr s HIS 502 N -3.21 1.90 0.84 5.02 3.76 0.31 -4.88 115.29 119.04 3kjr s HIS 502 Ca 0.02 1.05 -0.10 0.00 -0.15 0.00 0.00 55.06 55.87 3kjr s HIS 502 Cb 0.03 -3.22 0.10 0.00 1.11 0.00 0.00 32.58 30.60 3kjr s HIS 502 CO -0.07 -3.16 1.12 -2.14 -0.85 0.00 0.00 174.74 169.64 3kjr s PRO 503 N -4.83 1.63 0.52 8.40 0.02 -1.26 -2.06 135.00 137.43 3kjr s PRO 503 Ca 0.66 1.32 -0.22 0.00 0.02 0.00 0.00 61.00 62.78 3kjr s PRO 503 Cb -0.20 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.45 3kjr s PRO 503 CO 0.59 -2.13 1.36 -1.25 -0.33 0.00 0.00 177.00 175.25 3kjr s PRO 504 N -4.79 3.28 -0.30 5.54 0.04 -1.26 -3.25 135.00 134.26 3kjr s PRO 504 Ca 0.64 2.25 0.01 0.00 0.04 0.00 0.00 61.00 63.94 3kjr s PRO 504 Cb -0.20 -2.34 0.07 0.00 0.04 0.00 0.00 34.50 32.07 3kjr s PRO 504 CO 0.57 -1.09 -0.03 0.42 0.04 0.00 0.00 177.00 176.92 3kjr s ILE 505 N -1.29 2.49 0.29 0.56 1.01 -1.26 -4.87 121.20 118.12 3kjr s ILE 505 Ca 0.69 -1.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.30 3kjr s ILE 505 Cb -0.41 -2.55 -0.12 0.00 0.01 0.00 0.00 42.46 39.40 3kjr s ILE 505 CO 0.49 -0.21 1.51 -2.65 0.00 0.00 0.00 174.94 174.08 3kjr n PRO 506 N 4.46 2.46 -3.69 2.79 -0.02 -1.26 -5.01 135.00 134.74 3kjr n PRO 506 Ca -0.10 0.87 -0.17 0.00 -2.02 0.00 0.00 63.50 62.09 3kjr n PRO 506 Cb 0.42 -2.60 -0.16 0.00 -0.02 0.00 0.00 33.50 31.14 3kjr n PRO 506 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3kjr s MET 507 N -0.69 0.02 0.00 -0.52 -1.94 -1.26 -4.90 119.30 110.02 3kjr s MET 507 Ca 0.64 0.49 0.00 0.00 -1.71 0.00 0.00 55.69 55.11 3kjr s MET 507 Cb -0.54 -0.29 0.00 0.00 2.01 0.00 0.00 34.83 36.01 3kjr s MET 507 CO 0.51 -0.28 0.49 0.00 -0.01 0.00 0.00 175.02 175.73