#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 4.15 -0.64 -0.72 8.01 -1.26 -1.86 118.70 126.39 3kjr s GLU 6 Ca 0.00 2.53 0.00 0.00 0.01 0.00 0.00 54.97 57.51 3kjr s GLU 6 Cb 0.00 -3.09 0.00 0.00 -4.31 0.00 0.00 34.13 26.73 3kjr s GLU 6 CO 0.00 -0.68 0.00 0.41 0.01 0.00 0.00 175.26 175.00 3kjr n GLY 7 N 3.60 0.79 0.75 -1.39 0.00 -1.26 -4.90 105.19 102.78 3kjr n GLY 7 Ca 0.14 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 45.90 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 0.47 -0.46 3.58 0.00 0.00 -1.26 -4.62 105.19 102.90 3kjr n GLY 9 Ca 0.14 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.22 -3.78 -4.74 1.61 2.03 -0.42 -4.95 116.55 103.08 3kjr n ASP 10 Ca 0.08 -0.63 -0.36 0.00 0.52 0.00 0.00 54.79 54.40 3kjr n ASP 10 Cb 0.28 -4.83 -0.08 0.00 -0.72 0.00 0.00 41.12 35.78 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 -6.84 4.24 -0.19 -2.67 1.43 0.97 -4.79 118.68 110.83 3kjr s LEU 11 Ca 0.28 0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 53.65 3kjr s LEU 11 Cb -0.13 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 3kjr s LEU 11 CO 0.75 0.17 0.06 -0.89 0.23 0.00 0.00 176.35 176.67 3kjr s THR 12 N 0.28 4.69 -0.02 5.49 2.01 -0.93 -3.44 115.64 123.72 3kjr s THR 12 Ca 0.11 -0.07 -0.13 0.00 0.31 0.00 0.00 61.69 61.92 3kjr s THR 12 Cb -0.12 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 3kjr s THR 12 CO 0.00 0.44 0.35 -0.63 -0.69 0.00 0.00 174.62 174.10 3kjr s ILE 13 N 0.54 5.13 -0.08 1.82 1.01 -0.76 -0.01 121.20 128.85 3kjr s ILE 13 Ca 0.03 0.68 0.04 0.00 0.00 0.00 0.00 60.65 61.40 3kjr s ILE 13 Cb -0.13 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 3kjr s ILE 13 CO 0.01 0.57 -0.20 -0.36 0.00 0.00 0.00 174.94 174.96 3kjr s PHE 14 N -1.09 2.59 0.01 3.97 0.40 -0.97 -0.50 117.98 122.39 3kjr s PHE 14 Ca 0.23 -0.66 -0.21 0.00 -0.60 0.00 0.00 56.93 55.69 3kjr s PHE 14 Cb -0.16 -1.68 0.05 0.00 0.51 0.00 0.00 43.02 41.74 3kjr s PHE 14 CO 0.12 -0.18 0.48 0.54 0.70 0.00 0.00 175.22 176.88 3kjr s VAL 15 N -0.07 0.04 -0.15 -0.44 0.11 -0.82 -4.55 120.40 114.52 3kjr s VAL 15 Ca -0.05 -0.30 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 3kjr s VAL 15 Cb -0.14 -0.89 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 3kjr s VAL 15 CO 0.04 -0.16 -0.18 0.00 -3.33 0.00 0.00 175.10 171.47 3kjr s ALA 16 N -1.93 2.39 -0.06 1.54 0.00 -1.26 -0.98 121.76 121.47 3kjr s ALA 16 Ca -0.08 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.83 3kjr s ALA 16 Cb -0.02 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 21.99 3kjr s ALA 16 CO 0.02 -0.04 -0.11 0.08 0.00 0.00 0.00 175.76 175.71 3kjr s VAL 17 N 0.83 1.02 0.94 0.00 1.01 -0.16 -4.68 120.40 119.36 3kjr s VAL 17 Ca -0.06 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 3kjr s VAL 17 Cb -0.15 -0.94 0.16 0.00 0.00 0.00 0.00 36.38 35.44 3kjr s VAL 17 CO -0.01 0.33 1.11 0.00 0.00 0.00 0.00 175.10 176.53 3kjr s ALA 18 N 0.67 1.44 0.41 5.51 0.00 -0.55 -1.59 121.76 127.65 3kjr s ALA 18 Ca -0.13 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.50 3kjr s ALA 18 Cb -0.15 -3.08 0.88 0.00 0.00 0.00 0.00 23.12 20.77 3kjr s ALA 18 CO 0.03 -2.49 2.01 1.25 0.00 0.00 0.00 175.76 176.55 3kjr h LEU 19 N -1.65 0.30 -2.58 0.00 5.85 -0.83 0.65 115.31 117.05 3kjr h LEU 19 Ca -0.52 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 3kjr h LEU 19 Cb 1.32 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 3kjr h LEU 19 CO 0.60 0.32 0.01 -0.46 -0.34 0.00 0.00 178.44 178.57 3kjr n ASN 20 N -4.40 3.89 0.00 1.25 6.94 -1.26 -4.90 115.26 116.78 3kjr n ASN 20 Ca 0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 54.58 51.98 3kjr n ASN 20 Cb 0.16 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 36.96 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 0.35 -0.13 -2.18 -3.83 5.02 0.22 -4.99 118.16 112.62 3kjr n LYS 21 Ca 0.18 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 56.09 3kjr n LYS 21 Cb 0.84 -3.15 -0.03 0.00 -0.02 0.00 0.00 35.03 32.68 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 -2.84 2.95 0.00 -0.18 1.01 -1.26 -0.60 120.40 119.49 3kjr s VAL 22 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.86 3kjr s VAL 22 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3kjr s VAL 22 CO 0.00 0.18 0.00 2.30 0.00 0.00 0.00 175.10 177.58 3kjr n ILE 23 N 1.59 0.00 -3.80 2.22 -5.35 -0.08 -1.49 119.36 112.46 3kjr n ILE 23 Ca 0.03 -0.11 -0.12 0.00 -0.27 0.00 0.00 62.75 62.28 3kjr n ILE 23 Cb 0.42 0.55 -0.09 0.00 -1.74 0.00 0.00 39.64 38.79 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 -0.87 -0.07 -0.14 3.28 0.00 -1.11 -4.48 107.32 103.92 3kjr s GLY 24 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 44.72 44.74 3kjr s GLY 24 CO 0.00 -0.12 0.29 -1.58 0.00 0.00 0.00 173.10 171.69 3kjr s HIS 25 N -1.76 -0.49 -1.45 1.90 2.46 0.10 -1.52 115.29 114.52 3kjr s HIS 25 Ca -0.11 1.08 -0.05 0.00 0.47 0.00 0.00 55.06 56.45 3kjr s HIS 25 Cb -0.04 0.03 0.04 0.00 -0.13 0.00 0.00 32.58 32.47 3kjr s HIS 25 CO 0.01 -0.38 0.58 1.63 -2.47 0.00 0.00 174.74 174.11 3kjr n LYS 26 N 5.35 -3.74 -1.86 2.88 5.02 -1.26 -0.45 118.16 124.10 3kjr n LYS 26 Ca -0.07 0.45 -0.13 0.00 -2.02 0.00 0.00 58.31 56.54 3kjr n LYS 26 Cb 0.50 -4.81 -0.03 0.00 -0.02 0.00 0.00 35.03 30.66 3kjr n LYS 26 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3kjr n ASN 27 N -2.93 -3.73 -4.35 4.39 5.15 -1.26 -4.97 115.26 107.55 3kjr n ASN 27 Ca -0.21 0.26 -0.18 0.00 -0.60 0.00 0.00 54.58 53.84 3kjr n ASN 27 Cb 0.64 -3.33 -0.10 0.00 -0.53 0.00 0.00 39.78 36.45 3kjr n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kjr s GLN 28 N -3.98 1.37 0.13 1.20 -2.07 0.40 -4.63 119.66 112.08 3kjr s GLN 28 Ca 0.00 -1.67 -0.31 0.00 -1.82 0.00 0.00 55.36 51.56 3kjr s GLN 28 Cb 0.00 -0.87 -0.09 0.00 -1.09 0.00 0.00 33.01 30.95 3kjr s GLN 28 CO 0.00 0.01 1.60 0.42 -1.32 0.00 0.00 175.29 176.00 3kjr s ILE 29 N -3.20 2.77 -0.55 3.63 -1.09 -1.26 -0.72 121.20 120.77 3kjr s ILE 29 Ca 0.26 0.46 0.23 0.00 -2.23 0.00 0.00 60.65 59.37 3kjr s ILE 29 Cb 0.04 -3.30 0.24 0.00 -1.58 0.00 0.00 42.46 37.86 3kjr s ILE 29 CO 0.08 0.02 1.69 -2.65 -1.23 0.00 0.00 174.94 172.86 3kjr n PRO 30 N 4.55 0.18 -4.44 2.79 -0.02 -1.26 -4.75 135.00 132.05 3kjr n PRO 30 Ca 0.15 0.39 -0.26 0.00 -2.02 0.00 0.00 63.50 61.75 3kjr n PRO 30 Cb 0.39 -1.83 -0.11 0.00 -0.02 0.00 0.00 33.50 31.93 3kjr n PRO 30 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3kjr s TRP 31 N -3.27 2.30 1.06 6.00 -2.14 -1.26 -4.98 118.94 116.64 3kjr s TRP 31 Ca 0.05 -0.35 -0.18 0.00 2.66 0.00 0.00 56.10 58.28 3kjr s TRP 31 Cb 0.10 -1.10 0.25 0.00 -3.10 0.00 0.00 33.47 29.62 3kjr s TRP 31 CO 0.39 0.56 1.18 -0.35 -2.66 0.00 0.00 176.95 176.08 3kjr n PRO 32 N 0.00 -2.09 -1.66 3.25 -0.04 -1.26 -4.90 135.00 128.29 3kjr n PRO 32 Ca -0.10 -1.84 -0.47 0.00 -0.04 0.00 0.00 63.50 61.05 3kjr n PRO 32 Cb 0.57 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 3kjr n PRO 32 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3kjr n HIS 33 N -4.24 2.17 -3.77 0.54 -0.00 -1.26 -4.97 115.22 103.70 3kjr n HIS 33 Ca 0.15 0.32 -0.37 0.00 -0.00 0.00 0.00 57.72 57.82 3kjr n HIS 33 Cb 0.56 -2.51 -0.13 0.00 -0.00 0.00 0.00 29.99 27.91 3kjr n HIS 33 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3kjr s ILE 34 N 0.84 3.70 0.13 3.57 1.01 -1.26 -5.04 121.20 124.15 3kjr s ILE 34 Ca 0.79 -1.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.04 3kjr s ILE 34 Cb -0.71 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 3kjr s ILE 34 CO 0.39 -0.15 1.61 0.74 0.00 0.00 0.00 174.94 177.52 3kjr h THR 35 N 6.19 0.26 0.00 2.92 2.02 -1.97 -1.64 112.91 120.69 3kjr h THR 35 Ca -0.23 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 3kjr h THR 35 Cb 1.08 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3kjr h THR 35 CO 0.59 0.00 -0.46 0.45 0.37 0.00 0.00 175.52 176.47 3kjr h HIS 36 N -0.45 0.00 -0.65 3.16 3.86 -1.99 -2.93 115.15 116.16 3kjr h HIS 36 Ca 0.08 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.22 3kjr h HIS 36 Cb 0.57 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 3kjr h HIS 36 CO -0.39 0.46 0.16 0.22 0.86 0.00 0.00 177.93 179.24 3kjr h ASP 37 N 0.00 0.99 -0.53 2.45 3.58 -1.83 -0.23 116.42 120.85 3kjr h ASP 37 Ca -0.00 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 3kjr h ASP 37 Cb 0.95 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.71 3kjr h ASP 37 CO 0.06 0.97 0.25 0.15 -2.88 0.00 0.00 179.24 177.79 3kjr h PHE 38 N 0.97 0.76 -0.29 0.28 3.04 -1.14 -1.97 116.94 118.58 3kjr h PHE 38 Ca 0.20 -0.04 -0.16 0.00 3.98 0.00 0.00 57.97 61.96 3kjr h PHE 38 Cb 0.37 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 3kjr h PHE 38 CO 0.03 0.59 -0.46 0.00 -2.02 0.00 0.00 178.31 176.45 3kjr h ARG 39 N 0.70 0.75 0.31 1.11 3.08 -1.40 -2.54 114.38 116.40 3kjr h ARG 39 Ca 0.18 -0.43 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 3kjr h ARG 39 Cb 0.12 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3kjr h ARG 39 CO -0.02 1.05 -0.15 0.35 -1.07 0.00 0.00 179.97 180.13 3kjr h PHE 40 N 0.60 -0.38 -0.08 3.04 3.57 -0.89 0.31 116.94 123.11 3kjr h PHE 40 Ca 0.04 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.55 3kjr h PHE 40 Cb 1.02 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 3kjr h PHE 40 CO 0.05 -0.24 -0.06 1.25 -2.23 0.00 0.00 178.31 177.09 3kjr h LEU 41 N -0.41 -0.18 -0.15 0.59 5.85 -1.38 0.20 115.31 119.82 3kjr h LEU 41 Ca -0.04 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3kjr h LEU 41 Cb 0.32 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3kjr h LEU 41 CO 0.07 -0.08 0.01 -0.09 -0.34 0.00 0.00 178.44 178.01 3kjr h ARG 42 N -0.07 0.07 -0.43 1.25 2.43 -1.35 -1.55 114.38 114.74 3kjr h ARG 42 Ca 0.05 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3kjr h ARG 42 Cb 0.14 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3kjr h ARG 42 CO -0.12 0.05 0.06 -0.91 -1.51 0.00 0.00 179.97 177.54 3kjr h ASN 43 N 0.07 0.69 -0.61 -3.80 2.35 -0.24 -2.68 115.58 111.36 3kjr h ASN 43 Ca 0.07 -0.27 -0.05 0.00 -0.55 0.00 0.00 56.30 55.50 3kjr h ASN 43 Cb 0.07 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3kjr h ASN 43 CO -0.10 0.78 0.21 1.23 -1.65 0.00 0.00 177.43 177.90 3kjr h GLY 44 N 0.57 1.05 0.73 2.83 0.00 -0.45 -2.87 103.07 104.94 3kjr h GLY 44 Ca 0.13 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3kjr h GLY 44 CO 0.01 0.55 -0.68 -1.30 0.00 0.00 0.00 176.54 175.12 3kjr n THR 45 N -4.28 0.03 -0.03 4.70 -2.24 -0.60 -4.03 114.28 107.84 3kjr n THR 45 Ca 0.05 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3kjr n THR 45 Cb 0.21 0.40 -0.14 0.00 -2.10 0.00 0.00 70.33 68.70 3kjr n THR 45 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3kjr n THR 46 N -1.58 0.82 -1.77 4.28 -1.04 -1.01 -4.59 114.28 109.39 3kjr n THR 46 Ca 0.05 -0.68 -0.42 0.00 -2.04 0.00 0.00 64.05 60.96 3kjr n THR 46 Cb 0.35 -0.36 -0.02 0.00 -1.82 0.00 0.00 70.33 68.48 3kjr n THR 46 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 3kjr s TYR 47 N -2.98 2.81 -0.10 -1.42 5.04 -1.09 -4.74 117.35 114.86 3kjr s TYR 47 Ca -0.07 0.66 0.02 0.00 -2.44 0.00 0.00 57.07 55.24 3kjr s TYR 47 Cb 0.10 -4.08 0.01 0.00 0.35 0.00 0.00 41.96 38.34 3kjr s TYR 47 CO 0.85 -3.78 -0.17 0.42 -1.34 0.00 0.00 175.55 171.54 3kjr s ILE 48 N 0.35 1.59 0.33 3.14 -1.09 -1.26 -4.87 121.20 119.40 3kjr s ILE 48 Ca 0.67 -0.72 -0.29 0.00 -2.23 0.00 0.00 60.65 58.08 3kjr s ILE 48 Cb -0.48 -1.43 -0.12 0.00 -1.58 0.00 0.00 42.46 38.85 3kjr s ILE 48 CO 0.43 0.46 1.43 -2.65 -1.23 0.00 0.00 174.94 173.38 3kjr n PRO 49 N 4.00 2.38 -0.32 2.79 -0.02 -1.26 -4.74 135.00 137.83 3kjr n PRO 49 Ca -0.20 0.84 0.16 0.00 -2.02 0.00 0.00 63.50 62.28 3kjr n PRO 49 Cb 0.52 -2.52 0.40 0.00 -0.02 0.00 0.00 33.50 31.88 3kjr n PRO 49 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kjr h PRO 50 N 3.39 0.60 -0.33 0.52 0.11 -1.99 0.47 132.00 134.76 3kjr h PRO 50 Ca -0.47 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 3kjr h PRO 50 Cb 1.26 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3kjr h PRO 50 CO 0.69 0.39 -0.23 0.93 -0.21 0.00 0.00 178.00 179.57 3kjr h GLU 51 N 0.61 0.64 -0.24 1.05 3.07 -2.00 -0.92 114.58 116.80 3kjr h GLU 51 Ca 0.56 -0.25 -0.17 0.00 -0.50 0.00 0.00 59.36 59.00 3kjr h GLU 51 Cb 1.08 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.95 3kjr h GLU 51 CO -0.33 0.82 -0.54 0.28 -1.40 0.00 0.00 179.01 177.84 3kjr h VAL 52 N 0.57 1.30 0.00 3.13 2.07 -1.35 -2.79 116.25 119.17 3kjr h VAL 52 Ca 0.08 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 65.84 3kjr h VAL 52 Cb 0.70 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3kjr h VAL 52 CO 0.05 0.56 -0.02 0.25 0.02 0.00 0.00 177.57 178.44 3kjr h LEU 53 N 0.55 0.00 -0.04 2.57 5.85 -0.75 -1.71 115.31 121.77 3kjr h LEU 53 Ca 0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 3kjr h LEU 53 Cb 1.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3kjr h LEU 53 CO 0.11 0.02 -0.11 0.28 -0.34 0.00 0.00 178.44 178.40 3kjr h SER 54 N 0.00 0.17 1.35 1.25 0.02 -0.90 -2.67 113.55 112.78 3kjr h SER 54 Ca -0.00 -0.59 -0.06 0.00 -0.84 0.00 0.00 61.79 60.30 3kjr h SER 54 Cb 0.39 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3kjr h SER 54 CO 0.00 0.73 -0.27 0.11 -1.14 0.00 0.00 176.83 176.27 3kjr h LYS 55 N -0.38 0.00 -2.18 3.45 6.56 -1.39 -3.40 116.57 119.24 3kjr h LYS 55 Ca -0.00 0.00 -0.40 0.00 -1.06 0.00 0.00 60.65 59.19 3kjr h LYS 55 Cb 0.71 0.00 -0.34 0.00 -0.57 0.00 0.00 32.23 32.03 3kjr h LYS 55 CO 0.02 0.27 -0.70 1.21 -2.06 0.00 0.00 179.45 178.19 3kjr s ASN 56 N -6.26 1.80 0.60 0.86 2.47 -0.66 -5.03 114.94 108.70 3kjr s ASN 56 Ca 0.03 -1.33 0.35 0.00 0.42 0.00 0.00 52.86 52.33 3kjr s ASN 56 Cb 0.08 0.34 1.91 0.00 -1.45 0.00 0.00 41.25 42.13 3kjr s ASN 56 CO 0.68 -0.33 2.23 1.55 -3.72 0.00 0.00 177.10 177.51 3kjr h PRO 57 N 7.62 0.00 -0.23 0.43 0.13 -1.69 -2.08 132.00 136.17 3kjr h PRO 57 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3kjr h PRO 57 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3kjr h PRO 57 CO 0.28 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 177.83 3kjr n ASP 58 N -3.48 2.66 -4.76 1.44 8.00 -1.26 -4.99 116.55 114.16 3kjr n ASP 58 Ca -0.02 -1.87 -0.37 0.00 0.71 0.00 0.00 54.79 53.24 3kjr n ASP 58 Cb 0.13 -0.15 0.02 0.00 -0.02 0.00 0.00 41.12 41.10 3kjr n ASP 58 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3kjr s ILE 59 N -1.71 2.67 0.06 0.53 2.07 -0.78 -5.04 121.20 119.00 3kjr s ILE 59 Ca 0.35 0.48 -0.00 0.00 -1.41 0.00 0.00 60.65 60.06 3kjr s ILE 59 Cb 0.20 -3.23 -0.04 0.00 0.13 0.00 0.00 42.46 39.53 3kjr s ILE 59 CO 0.30 -0.03 -0.04 -1.10 -1.91 0.00 0.00 174.94 172.16 3kjr s GLN 60 N -2.96 0.63 0.70 3.50 -0.21 -1.26 -4.95 119.66 115.12 3kjr s GLN 60 Ca 0.70 -1.19 -0.10 0.00 0.02 0.00 0.00 55.36 54.79 3kjr s GLN 60 Cb -0.32 0.11 0.03 0.00 1.00 0.00 0.00 33.01 33.83 3kjr s GLN 60 CO 0.38 -0.08 1.06 -0.80 -2.12 0.00 0.00 175.29 173.72 3kjr s ASN 61 N -2.82 5.28 -0.11 5.90 0.01 -1.26 -0.55 114.94 121.38 3kjr s ASN 61 Ca 0.06 0.93 -0.02 0.00 -0.71 0.00 0.00 52.86 53.12 3kjr s ASN 61 Cb 0.06 -1.71 -0.03 0.00 0.41 0.00 0.00 41.25 39.98 3kjr s ASN 61 CO -0.08 -1.39 -0.02 -0.69 -1.51 0.00 0.00 177.10 173.40 3kjr s VAL 62 N -3.31 4.07 -0.08 1.60 1.01 -0.36 -0.07 120.40 123.26 3kjr s VAL 62 Ca 0.58 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.28 3kjr s VAL 62 Cb -0.11 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3kjr s VAL 62 CO 0.49 0.56 -0.21 0.68 0.00 0.00 0.00 175.10 176.63 3kjr s VAL 63 N -0.43 2.39 -0.09 2.92 -7.23 0.29 -0.89 120.40 117.36 3kjr s VAL 63 Ca 0.07 -0.94 0.03 0.00 -1.81 0.00 0.00 61.98 59.34 3kjr s VAL 63 Cb -0.12 -1.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 3kjr s VAL 63 CO 0.02 0.56 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.56 3kjr s ILE 64 N -0.07 2.63 -0.00 -0.62 1.01 -0.07 -0.76 121.20 123.32 3kjr s ILE 64 Ca -0.05 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.82 3kjr s ILE 64 Cb -0.14 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 3kjr s ILE 64 CO 0.04 0.56 -0.18 -0.36 0.00 0.00 0.00 174.94 175.00 3kjr s PHE 65 N -0.02 1.62 0.87 3.97 0.08 -0.34 -0.72 117.98 123.45 3kjr s PHE 65 Ca -0.06 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 56.56 3kjr s PHE 65 Cb -0.15 -1.03 0.12 0.00 -0.57 0.00 0.00 43.02 41.39 3kjr s PHE 65 CO 0.05 -0.01 1.13 0.20 -0.10 0.00 0.00 175.22 176.49 3kjr s GLY 66 N -0.57 1.59 0.22 4.36 0.00 0.11 -1.10 107.32 111.92 3kjr s GLY 66 Ca 0.07 -0.44 -0.08 0.00 0.00 0.00 0.00 44.72 44.26 3kjr s GLY 66 CO -0.00 0.08 1.82 -0.09 0.00 0.00 0.00 173.10 174.90 3kjr h ARG 67 N -1.36 1.16 -0.20 2.90 1.12 -1.83 -0.91 114.38 115.26 3kjr h ARG 67 Ca -0.49 -0.16 -0.15 0.00 -1.11 0.00 0.00 59.98 58.07 3kjr h ARG 67 Cb 1.31 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 31.05 3kjr h ARG 67 CO 0.61 0.88 -0.49 0.87 -3.11 0.00 0.00 179.97 178.74 3kjr h LYS 68 N 1.15 0.54 -0.39 0.20 1.57 -1.94 -0.39 116.57 117.31 3kjr h LYS 68 Ca 0.28 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3kjr h LYS 68 Cb 0.09 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3kjr h LYS 68 CO -0.04 0.91 0.10 1.15 -0.57 0.00 0.00 179.45 181.00 3kjr h THR 69 N 0.43 1.23 -0.45 -0.16 2.02 -1.83 -2.16 112.91 111.99 3kjr h THR 69 Ca 0.02 -0.78 0.09 0.00 0.77 0.00 0.00 66.41 66.51 3kjr h THR 69 Cb 1.01 0.99 -0.08 0.00 -1.74 0.00 0.00 68.15 68.33 3kjr h THR 69 CO 0.09 0.27 -0.09 0.22 0.37 0.00 0.00 175.52 176.38 3kjr h TYR 70 N 0.49 -0.19 0.00 3.16 3.20 -0.92 -1.97 116.97 120.73 3kjr h TYR 70 Ca 0.12 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3kjr h TYR 70 Cb 0.31 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 3kjr h TYR 70 CO 0.02 -0.17 -0.06 0.93 -1.64 0.00 0.00 178.16 177.24 3kjr h GLU 71 N 0.02 0.00 0.00 1.82 5.08 -0.91 -2.06 114.58 118.54 3kjr h GLU 71 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3kjr h GLU 71 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3kjr h GLU 71 CO -0.44 0.06 0.00 0.66 -1.00 0.00 0.00 179.01 178.29 3kjr h SER 72 N 0.00 0.00 -3.37 1.42 4.64 -0.69 -3.44 113.55 112.11 3kjr h SER 72 Ca -0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 3kjr h SER 72 Cb 0.43 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.45 3kjr h SER 72 CO 0.01 0.00 0.05 -0.63 -0.87 0.00 0.00 176.83 175.39 3kjr s ILE 73 N -3.45 5.07 0.12 0.95 1.01 -0.77 -5.01 121.20 119.11 3kjr s ILE 73 Ca 0.04 1.25 -0.34 0.00 0.00 0.00 0.00 60.65 61.60 3kjr s ILE 73 Cb 0.08 -3.96 -0.14 0.00 0.01 0.00 0.00 42.46 38.45 3kjr s ILE 73 CO 0.56 0.22 1.59 -2.65 0.00 0.00 0.00 174.94 174.65 3kjr n PRO 74 N 4.22 2.06 -0.14 2.79 -0.02 -1.26 -4.83 135.00 137.82 3kjr n PRO 74 Ca -0.02 0.74 0.22 0.00 -2.02 0.00 0.00 63.50 62.42 3kjr n PRO 74 Cb 0.51 -2.51 0.64 0.00 -0.02 0.00 0.00 33.50 32.12 3kjr n PRO 74 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3kjr h LYS 75 N 6.16 0.14 0.00 -0.52 -0.00 -1.93 0.16 116.57 120.57 3kjr h LYS 75 Ca -0.46 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.65 60.14 3kjr h LYS 75 Cb 1.26 -0.03 -0.01 0.00 -0.00 0.00 0.00 32.23 33.45 3kjr h LYS 75 CO 0.89 0.09 -0.23 0.00 -0.00 0.00 0.00 179.45 180.19 3kjr h ALA 76 N 1.63 1.09 0.00 0.07 0.00 -2.02 -2.91 119.26 117.12 3kjr h ALA 76 Ca 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kjr h ALA 76 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3kjr h ALA 76 CO -0.06 0.29 0.00 0.43 0.00 0.00 0.00 179.25 179.92 3kjr n SER 77 N -3.51 0.00 -4.73 0.00 7.64 0.55 -4.84 113.62 108.74 3kjr n SER 77 Ca -0.01 -0.09 -0.34 0.00 1.01 0.00 0.00 58.87 59.45 3kjr n SER 77 Cb 0.40 -0.30 -0.08 0.00 -1.01 0.00 0.00 64.21 63.22 3kjr n SER 77 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kjr s LEU 78 N -2.60 3.71 0.51 -3.43 1.43 -1.10 -3.45 118.68 113.77 3kjr s LEU 78 Ca 0.27 0.11 -0.20 0.00 -1.03 0.00 0.00 54.13 53.29 3kjr s LEU 78 Cb 0.20 -2.05 -0.07 0.00 0.03 0.00 0.00 46.19 44.29 3kjr s LEU 78 CO 0.45 0.31 1.08 -2.16 0.23 0.00 0.00 176.35 176.27 3kjr s PRO 79 N -1.41 3.58 0.12 1.29 0.04 -1.26 -4.96 135.00 132.41 3kjr s PRO 79 Ca 0.19 1.48 -0.34 0.00 0.04 0.00 0.00 61.00 62.37 3kjr s PRO 79 Cb -0.12 -2.05 -0.13 0.00 0.04 0.00 0.00 34.50 32.24 3kjr s PRO 79 CO 0.09 -0.63 1.64 1.28 0.04 0.00 0.00 177.00 179.42 3kjr n LEU 80 N -1.13 3.23 -4.74 -3.56 4.77 -1.22 -4.90 117.00 109.44 3kjr n LEU 80 Ca 0.10 1.06 -0.37 0.00 -0.03 0.00 0.00 56.01 56.78 3kjr n LEU 80 Cb 0.52 -1.43 0.05 0.00 -2.33 0.00 0.00 43.42 40.22 3kjr n LEU 80 CO 0.41 -0.21 0.90 -0.54 -1.33 0.00 0.00 177.39 176.61 3kjr s LYS 81 N 1.49 2.88 -0.46 3.23 1.02 -1.26 -3.37 119.74 123.27 3kjr s LYS 81 Ca 0.81 2.00 0.00 0.00 0.02 0.00 0.00 55.97 58.80 3kjr s LYS 81 Cb -0.66 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 3kjr s LYS 81 CO 0.40 -1.32 0.00 0.09 -0.92 0.00 0.00 175.35 173.59 3kjr n ASN 82 N -1.54 -4.92 -4.00 2.83 3.02 -1.26 -4.98 115.26 104.41 3kjr n ASN 82 Ca 0.14 0.11 -0.09 0.00 -0.03 0.00 0.00 54.58 54.70 3kjr n ASN 82 Cb 0.48 -2.80 -0.11 0.00 -0.61 0.00 0.00 39.78 36.74 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 -1.92 0.37 -0.18 3.52 0.52 -1.22 -4.51 118.95 115.54 3kjr s ARG 83 Ca 0.00 -0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 54.22 3kjr s ARG 83 Cb 0.00 0.08 -0.00 0.00 0.52 0.00 0.00 34.95 35.54 3kjr s ARG 83 CO 0.00 -0.05 1.12 0.42 0.02 0.00 0.00 175.30 176.82 3kjr s ILE 84 N -1.74 4.52 -0.22 1.52 1.01 0.89 -4.78 121.20 122.40 3kjr s ILE 84 Ca -0.13 1.83 -0.12 0.00 0.00 0.00 0.00 60.65 62.23 3kjr s ILE 84 Cb -0.08 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 3kjr s ILE 84 CO -0.02 -0.13 0.24 0.20 0.00 0.00 0.00 174.94 175.23 3kjr s ASN 85 N 1.47 6.23 -0.13 3.58 0.02 -1.26 -0.55 114.94 124.31 3kjr s ASN 85 Ca 0.49 0.26 0.03 0.00 -1.02 0.00 0.00 52.86 52.61 3kjr s ASN 85 Cb -0.18 -2.15 0.00 0.00 0.02 0.00 0.00 41.25 38.94 3kjr s ASN 85 CO 0.11 0.02 -0.21 -0.69 0.02 0.00 0.00 177.10 176.35 3kjr s VAL 86 N 1.11 2.20 -0.13 1.60 1.01 0.06 -0.42 120.40 125.83 3kjr s VAL 86 Ca 0.12 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 3kjr s VAL 86 Cb -0.14 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3kjr s VAL 86 CO 0.05 0.55 -0.03 -0.63 0.00 0.00 0.00 175.10 175.05 3kjr s ILE 87 N 0.62 4.02 -0.29 2.22 -1.09 0.13 -1.20 121.20 125.61 3kjr s ILE 87 Ca -0.11 -0.32 -0.10 0.00 -2.23 0.00 0.00 60.65 57.88 3kjr s ILE 87 Cb -0.16 -2.74 -0.03 0.00 -1.58 0.00 0.00 42.46 37.94 3kjr s ILE 87 CO 0.03 0.53 0.17 -0.76 -1.23 0.00 0.00 174.94 173.67 3kjr s LEU 88 N -0.03 4.02 -0.22 2.97 1.43 -0.26 -1.40 118.68 125.20 3kjr s LEU 88 Ca 0.02 -0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 52.64 3kjr s LEU 88 Cb -0.13 -2.07 0.11 0.00 0.03 0.00 0.00 46.19 44.13 3kjr s LEU 88 CO 0.02 -0.10 0.93 -0.55 0.23 0.00 0.00 176.35 176.88 3kjr s SER 89 N 1.70 -0.50 0.00 2.29 0.15 -0.28 -2.41 113.70 114.65 3kjr s SER 89 Ca 0.06 0.81 0.22 0.00 0.70 0.00 0.00 55.95 57.75 3kjr s SER 89 Cb -0.16 0.77 -0.24 0.00 -1.71 0.00 0.00 66.02 64.68 3kjr s SER 89 CO 0.09 -0.28 0.69 0.54 1.20 0.00 0.00 173.24 175.47 3kjr n ARG 90 N 1.71 0.45 -0.09 5.44 1.74 -1.26 -3.94 116.66 120.71 3kjr n ARG 90 Ca -0.13 -0.11 -0.09 0.00 -0.77 0.00 0.00 57.85 56.75 3kjr n ARG 90 Cb 0.56 -1.54 -0.14 0.00 -1.02 0.00 0.00 32.46 30.33 3kjr n ARG 90 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kjr n THR 91 N -2.06 1.20 -3.70 0.55 -2.24 -1.26 -4.87 114.28 101.90 3kjr n THR 91 Ca -0.01 -0.73 -0.36 0.00 -2.27 0.00 0.00 64.05 60.68 3kjr n THR 91 Cb 0.49 -0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 68.07 3kjr n THR 91 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kjr s VAL 92 N -2.42 5.39 -0.10 2.28 1.01 -1.26 -5.01 120.40 120.28 3kjr s VAL 92 Ca -0.10 0.32 0.10 0.00 0.00 0.00 0.00 61.98 62.30 3kjr s VAL 92 Cb 0.05 -3.51 -0.15 0.00 0.00 0.00 0.00 36.38 32.78 3kjr s VAL 92 CO 0.70 0.47 0.07 2.29 0.00 0.00 0.00 175.10 178.64 3kjr n LYS 93 N 3.11 1.90 -3.75 2.72 0.00 -1.26 -4.69 118.16 116.18 3kjr n LYS 93 Ca -0.16 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.31 58.00 3kjr n LYS 93 Cb 0.53 -1.29 -0.14 0.00 -0.00 0.00 0.00 35.03 34.12 3kjr n LYS 93 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 3kjr s GLU 94 N -2.36 0.09 -0.13 -1.58 1.03 -1.26 -4.79 118.70 109.70 3kjr s GLU 94 Ca -0.05 0.35 -0.01 0.00 0.03 0.00 0.00 54.97 55.28 3kjr s GLU 94 Cb 0.04 -0.17 0.04 0.00 -0.80 0.00 0.00 34.13 33.24 3kjr s GLU 94 CO 0.47 -0.16 -0.01 0.08 -1.33 0.00 0.00 175.26 174.31 3kjr s VAL 95 N 1.10 0.67 0.07 1.83 1.01 -1.26 -5.11 120.40 118.71 3kjr s VAL 95 Ca -0.09 -0.28 -0.35 0.00 0.00 0.00 0.00 61.98 61.26 3kjr s VAL 95 Cb -0.11 -0.90 -0.15 0.00 0.00 0.00 0.00 36.38 35.22 3kjr s VAL 95 CO -0.05 0.12 1.53 -2.65 0.00 0.00 0.00 175.10 174.05 3kjr n PRO 96 N 5.03 1.70 -0.99 2.72 -0.02 -1.26 -1.10 135.00 141.08 3kjr n PRO 96 Ca -0.09 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3kjr n PRO 96 Cb 0.49 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 3.23 0.79 3.33 -1.23 0.00 -1.26 -4.36 105.19 105.69 3kjr n GLY 97 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.01 4.41 -0.07 0.00 1.43 0.44 -4.53 118.68 117.35 3kjr s LEU 99 Ca 0.19 0.65 0.03 0.00 -1.03 0.00 0.00 54.13 53.97 3kjr s LEU 99 Cb -0.03 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.74 3kjr s LEU 99 CO 0.06 0.32 -0.17 -0.69 0.23 0.00 0.00 176.35 176.11 3kjr s VAL 100 N -1.15 1.48 0.11 -1.59 1.01 -1.26 0.17 120.40 119.17 3kjr s VAL 100 Ca 0.22 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.55 3kjr s VAL 100 Cb -0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3kjr s VAL 100 CO 0.11 0.43 -0.11 -0.31 0.00 0.00 0.00 175.10 175.22 3kjr s TYR 101 N 0.43 1.20 0.28 5.22 2.02 -0.49 -4.96 117.35 121.05 3kjr s TYR 101 Ca -0.14 -0.64 0.09 0.00 -0.37 0.00 0.00 57.07 56.01 3kjr s TYR 101 Cb -0.16 -0.64 0.40 0.00 -0.40 0.00 0.00 41.96 41.16 3kjr s TYR 101 CO 0.05 0.06 1.64 0.93 -1.57 0.00 0.00 175.55 176.66 3kjr h GLU 102 N 3.40 0.06 -3.36 -0.62 5.08 -1.87 -0.73 114.58 116.53 3kjr h GLU 102 Ca -0.38 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 3kjr h GLU 102 Cb 1.19 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.38 3kjr h GLU 102 CO 0.54 0.61 0.05 0.16 -1.00 0.00 0.00 179.01 179.37 3kjr s ASP 103 N -6.87 -0.09 0.07 1.42 1.47 -1.26 -4.23 116.67 107.17 3kjr s ASP 103 Ca -0.02 -0.86 -0.28 0.00 1.18 0.00 0.00 52.55 52.57 3kjr s ASP 103 Cb 0.13 0.67 -0.17 0.00 -0.34 0.00 0.00 42.92 43.21 3kjr s ASP 103 CO 0.76 -1.28 1.60 0.25 0.68 0.00 0.00 175.17 177.18 3kjr h LEU 104 N 2.12 -0.40 -1.11 2.11 5.85 -1.99 -2.21 115.31 119.69 3kjr h LEU 104 Ca -0.24 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3kjr h LEU 104 Cb 1.25 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 3kjr h LEU 104 CO 0.31 -0.24 0.54 0.77 -0.34 0.00 0.00 178.44 179.48 3kjr h SER 105 N -0.54 1.00 -0.21 1.25 4.64 -1.98 0.17 113.55 117.89 3kjr h SER 105 Ca -0.05 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3kjr h SER 105 Cb 0.40 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3kjr h SER 105 CO 0.08 0.75 0.14 0.74 -0.87 0.00 0.00 176.83 177.67 3kjr h THR 106 N 1.17 1.06 0.19 2.95 2.02 -1.97 -2.52 112.91 115.81 3kjr h THR 106 Ca 0.31 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.36 3kjr h THR 106 Cb -0.09 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3kjr h THR 106 CO -0.06 0.06 -0.21 0.00 0.37 0.00 0.00 175.52 175.68 3kjr h ALA 107 N 1.06 -0.42 -0.58 6.16 0.00 -0.60 -1.52 119.26 123.36 3kjr h ALA 107 Ca 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3kjr h ALA 107 Cb -0.02 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3kjr h ALA 107 CO -0.02 -0.77 0.26 0.82 0.00 0.00 0.00 179.25 179.54 3kjr h ILE 108 N -0.45 1.22 -0.47 0.00 1.08 -0.98 0.25 117.51 118.16 3kjr h ILE 108 Ca 0.01 -0.65 -0.05 0.00 -0.39 0.00 0.00 64.86 63.77 3kjr h ILE 108 Cb 0.43 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.72 3kjr h ILE 108 CO -0.07 0.26 0.08 0.03 -0.69 0.00 0.00 178.15 177.76 3kjr h ARG 109 N 0.80 0.77 -0.45 2.37 3.08 -1.39 -0.89 114.38 118.67 3kjr h ARG 109 Ca 0.20 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3kjr h ARG 109 Cb 0.16 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3kjr h ARG 109 CO -0.02 0.78 -0.13 0.22 -1.07 0.00 0.00 179.97 179.75 3kjr h ASP 110 N 0.64 0.90 -0.01 7.04 3.58 -1.04 -1.33 116.42 126.20 3kjr h ASP 110 Ca 0.14 -0.37 0.02 0.00 0.42 0.00 0.00 57.03 57.24 3kjr h ASP 110 Cb 0.38 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 3kjr h ASP 110 CO 0.01 1.07 -0.11 -0.07 -2.88 0.00 0.00 179.24 177.25 3kjr h LEU 111 N 0.73 -0.33 -1.24 2.28 3.38 -0.80 0.11 115.31 119.43 3kjr h LEU 111 Ca 0.11 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3kjr h LEU 111 Cb 0.68 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3kjr h LEU 111 CO 0.05 -0.16 -0.18 0.03 0.09 0.00 0.00 178.44 178.27 3kjr h ARG 112 N -0.19 0.00 0.17 1.13 3.08 -1.14 -1.50 114.38 115.93 3kjr h ARG 112 Ca 0.04 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.78 3kjr h ARG 112 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.31 3kjr h ARG 112 CO -0.12 0.18 -1.52 0.00 -1.07 0.00 0.00 179.97 177.44 3kjr h ALA 113 N 1.82 0.10 0.00 0.04 0.00 -1.01 -3.45 119.26 116.76 3kjr h ALA 113 Ca -0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.86 3kjr h ALA 113 Cb 0.67 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3kjr h ALA 113 CO 0.02 0.86 -0.47 0.09 0.00 0.00 0.00 179.25 179.75 3kjr n ASN 114 N -3.77 2.35 -3.99 0.00 3.02 0.36 -4.94 115.26 108.30 3kjr n ASN 114 Ca -0.23 -0.16 -0.31 0.00 -0.03 0.00 0.00 54.58 53.85 3kjr n ASN 114 Cb 1.00 0.80 -0.14 0.00 -0.61 0.00 0.00 39.78 40.83 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 -1.27 2.69 0.07 2.41 1.01 -0.57 -5.03 120.40 119.72 3kjr s VAL 115 Ca 0.00 -3.04 -0.37 0.00 0.00 0.00 0.00 61.98 58.58 3kjr s VAL 115 Cb 0.00 -2.87 -0.16 0.00 0.00 0.00 0.00 36.38 33.35 3kjr s VAL 115 CO 0.00 -0.76 1.38 -2.65 0.00 0.00 0.00 175.10 173.07 3kjr n PRO 116 N 3.44 1.24 -3.75 2.72 -0.02 -1.26 -4.68 135.00 132.69 3kjr n PRO 116 Ca 0.05 0.45 -0.08 0.00 -2.02 0.00 0.00 63.50 61.89 3kjr n PRO 116 Cb 0.35 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 3kjr n PRO 116 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3kjr s HIS 117 N 0.69 -0.27 0.00 6.00 -3.43 -1.26 -4.74 115.29 112.28 3kjr s HIS 117 Ca 0.85 -0.12 0.00 0.00 -0.80 0.00 0.00 55.06 54.99 3kjr s HIS 117 Cb -0.93 0.66 0.00 0.00 -1.43 0.00 0.00 32.58 30.87 3kjr s HIS 117 CO 0.47 -1.13 0.00 -1.71 -2.00 0.00 0.00 174.74 170.37 3kjr n ASN 118 N -0.44 0.00 -4.30 7.38 5.15 0.29 -4.92 115.26 118.42 3kjr n ASN 118 Ca -0.07 0.11 -0.23 0.00 -0.60 0.00 0.00 54.58 53.79 3kjr n ASN 118 Cb 0.61 -0.18 -0.12 0.00 -0.53 0.00 0.00 39.78 39.56 3kjr n ASN 118 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3kjr s LYS 119 N -0.35 1.17 -0.20 1.20 1.02 -1.26 -5.01 119.74 116.31 3kjr s LYS 119 Ca 0.00 -1.26 -0.08 0.00 0.02 0.00 0.00 55.97 54.65 3kjr s LYS 119 Cb 0.00 -1.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.95 3kjr s LYS 119 CO 0.00 0.29 0.09 0.42 -0.92 0.00 0.00 175.35 175.22 3kjr s ILE 120 N -1.58 4.93 0.08 2.17 1.01 -1.26 -1.23 121.20 125.31 3kjr s ILE 120 Ca 0.10 0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.85 3kjr s ILE 120 Cb -0.08 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 3kjr s ILE 120 CO 0.05 0.44 -0.18 -0.36 0.00 0.00 0.00 174.94 174.89 3kjr s PHE 121 N 0.52 2.56 -0.26 3.97 0.08 -0.06 -2.18 117.98 122.61 3kjr s PHE 121 Ca 0.05 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 56.80 3kjr s PHE 121 Cb -0.12 -1.41 0.01 0.00 -0.57 0.00 0.00 43.02 40.92 3kjr s PHE 121 CO 0.01 0.32 -0.00 0.42 -0.10 0.00 0.00 175.22 175.86 3kjr s ILE 122 N -1.03 3.44 -0.50 0.64 -1.09 0.98 -0.90 121.20 122.75 3kjr s ILE 122 Ca 0.16 -0.73 0.15 0.00 -2.23 0.00 0.00 60.65 58.01 3kjr s ILE 122 Cb -0.11 -2.70 0.53 0.00 -1.58 0.00 0.00 42.46 38.61 3kjr s ILE 122 CO 0.08 0.23 1.44 0.18 -1.23 0.00 0.00 174.94 175.64 3kjr n LEU 123 N 4.78 3.96 0.00 2.97 4.77 0.10 -2.28 117.00 131.31 3kjr n LEU 123 Ca -0.16 -2.68 0.00 0.00 -0.03 0.00 0.00 56.01 53.14 3kjr n LEU 123 Cb 0.49 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3kjr n LEU 123 CO 0.29 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 3kjr n GLY 124 N 0.08 1.26 0.00 -0.72 0.00 -1.26 -4.94 105.19 99.61 3kjr n GLY 124 Ca 0.20 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 0.20 1.62 0.35 -0.02 0.00 -1.26 -0.71 105.19 105.37 3kjr n GLY 125 Ca 0.00 -1.84 0.04 0.00 0.00 0.00 0.00 46.02 44.22 3kjr n GLY 125 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kjr h SER 126 N 0.00 0.92 -0.52 1.61 4.64 -1.97 0.31 113.55 118.54 3kjr h SER 126 Ca 0.00 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 3kjr h SER 126 Cb 0.00 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 3kjr h SER 126 CO 0.00 0.55 0.25 -0.26 -0.87 0.00 0.00 176.83 176.50 3kjr h PHE 127 N 1.03 0.74 -0.43 4.77 0.04 -1.95 0.10 116.94 121.25 3kjr h PHE 127 Ca 0.44 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 61.05 3kjr h PHE 127 Cb 0.30 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 3kjr h PHE 127 CO -0.02 0.58 -0.22 1.25 -0.60 0.00 0.00 178.31 179.30 3kjr h LEU 128 N 0.69 0.94 -0.86 1.54 5.85 -1.74 -1.10 115.31 120.63 3kjr h LEU 128 Ca 0.18 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.51 3kjr h LEU 128 Cb 0.11 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 3kjr h LEU 128 CO -0.02 1.14 0.56 1.88 -0.34 0.00 0.00 178.44 181.66 3kjr h TYR 129 N 0.74 1.06 -0.52 1.25 0.05 -0.68 -1.44 116.97 117.43 3kjr h TYR 129 Ca 0.09 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.79 3kjr h TYR 129 Cb 0.79 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 3kjr h TYR 129 CO 0.06 0.64 -0.10 -0.22 -1.05 0.00 0.00 178.16 177.48 3kjr h LYS 130 N 1.12 0.98 -0.76 4.88 3.64 -0.82 -1.16 116.57 124.44 3kjr h LYS 130 Ca 0.33 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3kjr h LYS 130 Cb -0.07 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 3kjr h LYS 130 CO -0.09 1.04 0.40 1.49 -2.27 0.00 0.00 179.45 180.02 3kjr h GLU 131 N 0.84 1.08 -0.18 1.90 4.81 -0.92 -0.21 114.58 121.90 3kjr h GLU 131 Ca 0.13 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 3kjr h GLU 131 Cb 0.66 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 3kjr h GLU 131 CO 0.05 0.81 -0.18 0.28 -0.73 0.00 0.00 179.01 179.24 3kjr h VAL 132 N 1.06 1.33 -0.11 0.32 2.07 -1.11 -2.82 116.25 116.99 3kjr h VAL 132 Ca 0.27 -1.34 -0.24 0.00 0.82 0.00 0.00 66.70 66.21 3kjr h VAL 132 Cb 0.06 1.80 0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3kjr h VAL 132 CO -0.04 0.40 -0.85 -0.07 0.02 0.00 0.00 177.57 177.03 3kjr h LEU 133 N 0.10 0.94 -1.49 2.57 3.38 -1.13 -0.99 115.31 118.69 3kjr h LEU 133 Ca 0.03 -0.65 -0.03 0.00 0.09 0.00 0.00 57.88 57.32 3kjr h LEU 133 Cb 0.72 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3kjr h LEU 133 CO 0.04 1.45 -0.01 0.44 0.09 0.00 0.00 178.44 180.46 3kjr h ASP 134 N 0.50 0.29 -0.64 -0.43 3.32 -1.09 -2.69 116.42 115.68 3kjr h ASP 134 Ca -0.07 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3kjr h ASP 134 Cb 1.49 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.96 3kjr h ASP 134 CO 0.17 0.36 0.00 0.59 -1.72 0.00 0.00 179.24 178.64 3kjr n ASN 135 N -4.35 4.18 -1.58 6.45 3.02 -1.06 -4.95 115.26 116.96 3kjr n ASN 135 Ca 0.00 -2.25 -0.15 0.00 -0.03 0.00 0.00 54.58 52.15 3kjr n ASN 135 Cb 0.20 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 38.82 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 1.29 0.25 0.32 7.41 0.00 -1.02 -4.91 105.19 108.54 3kjr n GLY 136 Ca 0.24 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.06 1.12 -4.39 0.99 4.77 -0.38 -4.75 117.00 112.29 3kjr n LEU 137 Ca -0.17 -0.32 -0.33 0.00 -0.03 0.00 0.00 56.01 55.16 3kjr n LEU 137 Cb 0.60 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 41.47 3kjr n LEU 137 CO 0.22 0.20 -0.44 0.00 -1.33 0.00 0.00 177.39 176.03 3kjr n ASP 139 N 3.37 0.72 -3.67 0.00 8.00 -1.22 -4.85 116.55 118.90 3kjr n ASP 139 Ca -0.18 -0.86 -0.10 0.00 0.71 0.00 0.00 54.79 54.36 3kjr n ASP 139 Cb 0.53 0.84 -0.09 0.00 -0.02 0.00 0.00 41.12 42.38 3kjr n ASP 139 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3kjr s LYS 140 N -1.81 0.56 -0.15 -1.24 2.20 -1.26 -2.59 119.74 115.45 3kjr s LYS 140 Ca 0.05 0.94 0.02 0.00 -0.36 0.00 0.00 55.97 56.63 3kjr s LYS 140 Cb 0.08 0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.52 3kjr s LYS 140 CO 0.38 -0.14 -0.20 0.42 -0.36 0.00 0.00 175.35 175.45 3kjr s ILE 141 N 1.26 1.97 -0.36 5.43 1.01 -0.16 -1.83 121.20 128.52 3kjr s ILE 141 Ca -0.08 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 59.50 3kjr s ILE 141 Cb -0.06 -1.76 -0.00 0.00 0.01 0.00 0.00 42.46 40.65 3kjr s ILE 141 CO -0.13 0.53 0.39 -0.31 0.00 0.00 0.00 174.94 175.42 3kjr s TYR 142 N 0.99 3.20 -0.08 3.97 1.51 0.35 -0.94 117.35 126.34 3kjr s TYR 142 Ca -0.03 -0.10 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 3kjr s TYR 142 Cb -0.15 -2.74 0.01 0.00 -0.11 0.00 0.00 41.96 38.97 3kjr s TYR 142 CO -0.05 -0.51 -0.18 -1.17 -1.11 0.00 0.00 175.55 172.53 3kjr s LEU 143 N 2.07 1.86 -0.25 -1.29 0.20 -0.11 -1.95 118.68 119.20 3kjr s LEU 143 Ca 0.12 -0.43 -0.17 0.00 0.69 0.00 0.00 54.13 54.35 3kjr s LEU 143 Cb -0.17 -1.11 -0.03 0.00 -0.43 0.00 0.00 46.19 44.45 3kjr s LEU 143 CO 0.12 0.09 0.46 -0.89 -0.29 0.00 0.00 176.35 175.84 3kjr s THR 144 N 0.54 5.12 -0.30 3.68 2.01 -0.15 -0.87 115.64 125.66 3kjr s THR 144 Ca -0.16 0.79 -0.13 0.00 0.31 0.00 0.00 61.69 62.50 3kjr s THR 144 Cb -0.17 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 3kjr s THR 144 CO 0.06 0.14 0.28 -0.13 -0.69 0.00 0.00 174.62 174.28 3kjr s ARG 145 N 2.00 3.78 -0.22 4.92 0.52 0.51 -0.99 118.95 129.47 3kjr s ARG 145 Ca 0.20 -0.34 -0.10 0.00 -0.52 0.00 0.00 55.73 54.97 3kjr s ARG 145 Cb -0.15 -3.72 -0.05 0.00 0.52 0.00 0.00 34.95 31.54 3kjr s ARG 145 CO 0.09 -0.33 0.14 -0.51 0.02 0.00 0.00 175.30 174.70 3kjr s LEU 146 N 1.87 4.07 -0.00 2.53 1.02 -0.62 -2.09 118.68 125.46 3kjr s LEU 146 Ca 0.10 0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.37 3kjr s LEU 146 Cb -0.16 -2.08 0.00 0.00 0.02 0.00 0.00 46.19 43.97 3kjr s LEU 146 CO 0.11 0.10 0.71 0.59 0.02 0.00 0.00 176.35 177.89 3kjr n ASN 147 N 4.04 1.86 -3.85 2.29 4.13 -0.46 -2.34 115.26 120.92 3kjr n ASN 147 Ca -0.15 -2.00 -0.09 0.00 1.68 0.00 0.00 54.58 54.01 3kjr n ASN 147 Cb 0.52 -0.50 -0.06 0.00 -1.54 0.00 0.00 39.78 38.20 3kjr n ASN 147 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 3kjr s LYS 148 N -0.58 1.04 0.34 3.52 -2.85 -1.26 -4.71 119.74 115.24 3kjr s LYS 148 Ca 0.00 -0.99 -0.26 0.00 -1.00 0.00 0.00 55.97 53.73 3kjr s LYS 148 Cb 0.00 0.39 -0.10 0.00 -2.06 0.00 0.00 37.83 36.06 3kjr s LYS 148 CO 0.00 -0.38 0.96 -1.21 0.10 0.00 0.00 175.35 174.82 3kjr s GLU 149 N -3.89 4.52 0.03 1.78 2.02 -1.26 -1.38 118.70 120.52 3kjr s GLU 149 Ca 0.09 1.33 0.06 0.00 0.02 0.00 0.00 54.97 56.48 3kjr s GLU 149 Cb 0.03 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.51 3kjr s GLU 149 CO -0.07 0.21 -0.19 0.71 0.02 0.00 0.00 175.26 175.95 3kjr s TYR 150 N -1.66 1.65 0.46 1.61 1.51 -1.26 -4.93 117.35 114.73 3kjr s TYR 150 Ca 0.52 -0.36 -0.24 0.00 -1.01 0.00 0.00 57.07 55.98 3kjr s TYR 150 Cb -0.18 -0.99 -0.07 0.00 -0.11 0.00 0.00 41.96 40.60 3kjr s TYR 150 CO 0.23 0.06 1.33 -2.14 -1.11 0.00 0.00 175.55 173.93 3kjr s PRO 151 N -1.05 3.64 -0.04 -1.71 0.02 -1.26 -4.80 135.00 129.81 3kjr s PRO 151 Ca 0.06 2.19 -0.31 0.00 0.02 0.00 0.00 61.00 62.97 3kjr s PRO 151 Cb -0.08 -2.55 0.12 0.00 0.02 0.00 0.00 34.50 32.01 3kjr s PRO 151 CO 0.01 -0.77 1.23 0.20 -0.33 0.00 0.00 177.00 177.34 3kjr s GLY 152 N -0.82 -0.37 0.00 0.52 0.00 -1.26 -4.76 107.32 100.62 3kjr s GLY 152 Ca 0.63 0.84 0.00 0.00 0.00 0.00 0.00 44.72 46.19 3kjr s GLY 152 CO 0.49 0.20 0.62 2.09 0.00 0.00 0.00 173.10 176.50 3kjr n ASP 153 N -0.40 1.23 -3.91 1.64 5.68 -0.58 -4.97 116.55 115.24 3kjr n ASP 153 Ca -0.06 -1.29 -0.18 0.00 -0.50 0.00 0.00 54.79 52.76 3kjr n ASP 153 Cb 0.62 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.44 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 -0.29 0.46 0.09 2.12 2.01 -1.07 -5.02 115.64 113.95 3kjr s THR 154 Ca 0.00 -0.15 0.05 0.00 0.31 0.00 0.00 61.69 61.91 3kjr s THR 154 Cb 0.00 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 3kjr s THR 154 CO 0.00 0.18 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.66 3kjr s TYR 155 N 0.52 1.31 0.20 4.92 1.51 -1.26 -0.90 117.35 123.64 3kjr s TYR 155 Ca -0.06 -0.50 -0.28 0.00 -1.01 0.00 0.00 57.07 55.22 3kjr s TYR 155 Cb -0.10 -0.71 -0.08 0.00 -0.11 0.00 0.00 41.96 40.95 3kjr s TYR 155 CO -0.00 0.09 0.86 0.12 -1.11 0.00 0.00 175.55 175.51 3kjr s PHE 156 N -1.65 3.95 0.84 2.71 5.36 0.23 -4.70 117.98 124.73 3kjr s PHE 156 Ca 0.03 1.77 -0.11 0.00 -0.96 0.00 0.00 56.93 57.66 3kjr s PHE 156 Cb -0.08 -2.87 0.10 0.00 -0.34 0.00 0.00 43.02 39.83 3kjr s PHE 156 CO 0.02 0.49 1.14 -2.14 -1.46 0.00 0.00 175.22 173.27 3kjr s PRO 157 N -1.15 1.59 0.33 10.12 0.02 -1.26 -4.93 135.00 139.71 3kjr s PRO 157 Ca 0.38 1.48 -0.28 0.00 0.02 0.00 0.00 61.00 62.60 3kjr s PRO 157 Cb -0.25 -1.80 -0.12 0.00 0.02 0.00 0.00 34.50 32.35 3kjr s PRO 157 CO 0.29 -2.20 1.30 -0.25 -0.33 0.00 0.00 177.00 175.82 3kjr n ASP 158 N -3.74 2.75 -4.67 2.53 8.00 -1.26 -4.94 116.55 115.22 3kjr n ASP 158 Ca 0.11 1.20 -0.42 0.00 0.71 0.00 0.00 54.79 56.40 3kjr n ASP 158 Cb 0.52 -1.48 -0.04 0.00 -0.02 0.00 0.00 41.12 40.11 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 -0.96 4.85 0.55 0.53 1.01 -1.26 -5.01 121.20 120.92 3kjr s ILE 159 Ca 0.57 1.72 -0.20 0.00 0.00 0.00 0.00 60.65 62.74 3kjr s ILE 159 Cb -0.58 -4.18 -0.07 0.00 0.01 0.00 0.00 42.46 37.65 3kjr s ILE 159 CO 0.61 0.00 0.94 -2.65 0.00 0.00 0.00 174.94 173.84 3kjr n PRO 160 N 5.30 0.99 0.00 2.79 -0.02 -1.26 -4.85 135.00 137.96 3kjr n PRO 160 Ca 0.06 0.38 0.08 0.00 -2.02 0.00 0.00 63.50 62.00 3kjr n PRO 160 Cb 0.48 -2.10 0.50 0.00 -0.02 0.00 0.00 33.50 32.37 3kjr n PRO 160 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3kjr n ASP 161 N -0.31 0.00 0.15 2.55 8.00 -1.26 -1.84 116.55 123.84 3kjr n ASP 161 Ca 0.12 -0.58 0.13 0.00 0.71 0.00 0.00 54.79 55.18 3kjr n ASP 161 Cb 0.45 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 42.05 3kjr n ASP 161 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3kjr h THR 162 N 0.00 0.00 -2.93 -3.53 1.35 -1.90 -3.45 112.91 102.45 3kjr h THR 162 Ca 0.00 -0.35 -0.56 0.00 -0.55 0.00 0.00 66.41 64.95 3kjr h THR 162 Cb 0.00 1.18 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 3kjr h THR 162 CO 0.00 0.00 -0.36 -0.36 -0.25 0.00 0.00 175.52 174.55 3kjr s PHE 163 N -3.33 3.49 0.06 4.73 0.40 -0.77 -0.03 117.98 122.53 3kjr s PHE 163 Ca 0.05 0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.76 3kjr s PHE 163 Cb 0.10 -1.87 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 3kjr s PHE 163 CO 0.46 0.44 -0.05 -1.83 0.70 0.00 0.00 175.22 174.94 3kjr s GLU 164 N -2.99 0.64 -0.05 0.44 -1.05 -0.47 -4.84 118.70 110.38 3kjr s GLU 164 Ca 0.38 -1.10 -0.30 0.00 -0.15 0.00 0.00 54.97 53.81 3kjr s GLU 164 Cb -0.12 -0.05 -0.03 0.00 -0.44 0.00 0.00 34.13 33.50 3kjr s GLU 164 CO 0.28 -0.04 1.13 0.42 0.95 0.00 0.00 175.26 178.00 3kjr s ILE 165 N -3.01 4.42 -0.46 1.83 1.01 -1.26 -0.65 121.20 123.07 3kjr s ILE 165 Ca 0.03 1.72 0.04 0.00 0.00 0.00 0.00 60.65 62.44 3kjr s ILE 165 Cb 0.01 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.39 3kjr s ILE 165 CO -0.05 0.03 0.52 0.35 0.00 0.00 0.00 174.94 175.79 3kjr n THR 166 N 4.43 0.00 -3.64 2.92 -2.24 0.59 -4.01 114.28 112.34 3kjr n THR 166 Ca 0.10 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.26 3kjr n THR 166 Cb 0.47 1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.63 -1.63 -0.03 6.98 0.00 -1.21 -0.42 121.76 124.82 3kjr s ALA 167 Ca 0.04 1.79 0.00 0.00 0.00 0.00 0.00 51.96 53.79 3kjr s ALA 167 Cb 0.04 -0.97 0.03 0.00 0.00 0.00 0.00 23.12 22.22 3kjr s ALA 167 CO 0.08 -0.32 0.00 0.42 0.00 0.00 0.00 175.76 175.95 3kjr s ILE 168 N 0.18 0.17 0.96 0.00 1.01 -0.57 -1.59 121.20 121.36 3kjr s ILE 168 Ca -0.01 0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.58 3kjr s ILE 168 Cb -0.04 -0.26 0.18 0.00 0.01 0.00 0.00 42.46 42.34 3kjr s ILE 168 CO 0.02 0.14 1.23 -0.94 0.00 0.00 0.00 174.94 175.39 3kjr s SER 169 N 1.02 3.12 0.93 3.58 1.04 0.35 -1.27 113.70 122.47 3kjr s SER 169 Ca -0.10 0.56 -0.11 0.00 0.48 0.00 0.00 55.95 56.78 3kjr s SER 169 Cb -0.14 -0.82 0.15 0.00 0.10 0.00 0.00 66.02 65.31 3kjr s SER 169 CO -0.02 -2.76 1.10 -2.84 0.98 0.00 0.00 173.24 169.70 3kjr s PRO 170 N -5.64 0.97 0.20 4.02 0.02 -1.21 -2.75 135.00 130.61 3kjr s PRO 170 Ca 0.69 1.13 -0.25 0.00 0.02 0.00 0.00 61.00 62.59 3kjr s PRO 170 Cb -0.08 -1.75 -0.08 0.00 0.02 0.00 0.00 34.50 32.60 3kjr s PRO 170 CO 0.53 -2.53 0.81 0.99 -0.33 0.00 0.00 177.00 176.47 3kjr s THR 171 N -2.75 4.33 0.39 0.99 2.01 -1.26 -4.54 115.64 114.80 3kjr s THR 171 Ca 0.65 1.73 0.06 0.00 0.31 0.00 0.00 61.69 64.44 3kjr s THR 171 Cb -0.21 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.10 3kjr s THR 171 CO 0.58 0.45 0.01 -0.36 -0.69 0.00 0.00 174.62 174.62 3kjr s PHE 172 N -1.24 2.40 -0.01 4.92 0.08 0.24 -4.48 117.98 119.89 3kjr s PHE 172 Ca 0.39 -0.72 -0.16 0.00 0.12 0.00 0.00 56.93 56.55 3kjr s PHE 172 Cb -0.22 -1.65 0.03 0.00 -0.57 0.00 0.00 43.02 40.60 3kjr s PHE 172 CO 0.26 0.37 0.35 -1.54 -0.10 0.00 0.00 175.22 174.56 3kjr s SER 173 N -3.66 -0.23 0.16 1.36 1.04 -1.09 -1.40 113.70 109.87 3kjr s SER 173 Ca 0.35 0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.92 3kjr s SER 173 Cb 0.09 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.57 3kjr s SER 173 CO 0.17 -0.49 0.13 0.35 0.98 0.00 0.00 173.24 174.39 3kjr n THR 174 N 1.15 0.00 0.33 2.02 -2.24 -0.13 -5.00 114.28 110.41 3kjr n THR 174 Ca -0.21 -0.60 0.08 0.00 -2.27 0.00 0.00 64.05 61.05 3kjr n THR 174 Cb 0.56 -0.44 0.38 0.00 -2.10 0.00 0.00 70.33 68.73 3kjr n THR 174 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kjr n ASP 175 N -2.08 0.34 0.00 3.42 8.00 -1.26 -3.81 116.55 121.15 3kjr n ASP 175 Ca 0.00 0.61 0.00 0.00 0.71 0.00 0.00 54.79 56.11 3kjr n ASP 175 Cb 0.17 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 3kjr n ASP 175 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3kjr n PHE 176 N -1.90 0.00 -3.53 1.24 1.16 -1.26 -5.08 117.46 108.08 3kjr n PHE 176 Ca 0.02 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.45 3kjr n PHE 176 Cb 0.14 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.96 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 -0.72 0.00 0.07 1.97 0.11 -1.25 -5.02 120.40 115.57 3kjr s VAL 177 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 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 0.16 -0.94 -3.33 0.00 0.00 175.10 170.99 3kjr s SER 178 N -1.29 6.01 0.15 3.54 1.04 -1.26 -0.95 113.70 120.93 3kjr s SER 178 Ca -0.07 0.15 -0.18 0.00 0.48 0.00 0.00 55.95 56.33 3kjr s SER 178 Cb -0.00 -1.76 0.04 0.00 0.10 0.00 0.00 66.02 64.40 3kjr s SER 178 CO 0.05 0.17 0.48 -0.72 0.98 0.00 0.00 173.24 174.20 3kjr s TYR 179 N -1.47 -0.25 0.24 5.02 -0.85 -0.50 -1.36 117.35 118.18 3kjr s TYR 179 Ca 0.33 -0.05 0.00 0.00 -0.52 0.00 0.00 57.07 56.83 3kjr s TYR 179 Cb -0.13 0.36 0.00 0.00 0.38 0.00 0.00 41.96 42.58 3kjr s TYR 179 CO 0.26 -0.79 0.31 -0.40 -1.52 0.00 0.00 175.55 173.40 3kjr n ASP 180 N -0.29 -0.86 -4.41 -0.18 5.68 -0.89 -0.59 116.55 115.01 3kjr n ASP 180 Ca -0.15 -2.37 -0.31 0.00 -0.50 0.00 0.00 54.79 51.46 3kjr n ASP 180 Cb 0.64 1.66 -0.14 0.00 -1.14 0.00 0.00 41.12 42.13 3kjr n ASP 180 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3kjr s PHE 181 N -3.41 2.51 0.13 2.11 0.08 -1.26 -0.36 117.98 117.77 3kjr s PHE 181 Ca 0.22 -0.30 0.04 0.00 0.12 0.00 0.00 56.93 57.01 3kjr s PHE 181 Cb -0.00 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.88 3kjr s PHE 181 CO 0.16 0.13 -0.10 0.14 -0.10 0.00 0.00 175.22 175.44 3kjr s VAL 182 N -0.75 1.09 -0.15 -0.44 -7.23 -0.05 -0.49 120.40 112.37 3kjr s VAL 182 Ca 0.12 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.36 3kjr s VAL 182 Cb -0.10 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 3kjr s VAL 182 CO 0.01 -0.69 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.36 3kjr s ILE 183 N -3.06 2.99 -0.13 -0.62 1.01 -0.62 -0.94 121.20 119.83 3kjr s ILE 183 Ca 0.13 -0.67 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 3kjr s ILE 183 Cb 0.01 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 3kjr s ILE 183 CO 0.00 0.51 0.17 -0.31 0.00 0.00 0.00 174.94 175.31 3kjr s TYR 184 N 0.63 3.56 -0.02 3.97 2.02 -0.11 -0.30 117.35 127.10 3kjr s TYR 184 Ca -0.07 0.53 0.04 0.00 -0.37 0.00 0.00 57.07 57.20 3kjr s TYR 184 Cb -0.15 -2.05 -0.01 0.00 -0.40 0.00 0.00 41.96 39.34 3kjr s TYR 184 CO 0.03 0.59 -0.14 -1.21 -1.57 0.00 0.00 175.55 173.25 3kjr s GLU 185 N -0.59 1.19 -0.43 -0.62 2.02 0.18 -0.99 118.70 119.46 3kjr s GLU 185 Ca 0.14 -0.49 -0.27 0.00 0.02 0.00 0.00 54.97 54.37 3kjr s GLU 185 Cb -0.12 -1.13 -0.04 0.00 0.10 0.00 0.00 34.13 32.94 3kjr s GLU 185 CO 0.03 0.27 2.08 0.50 0.02 0.00 0.00 175.26 178.16 3kjr s ARG 186 N -0.22 2.75 0.00 1.61 3.52 -1.07 -1.37 118.95 124.16 3kjr s ARG 186 Ca 0.03 1.33 0.00 0.00 -0.13 0.00 0.00 55.73 56.97 3kjr s ARG 186 Cb -0.06 -4.39 0.00 0.00 -1.56 0.00 0.00 34.95 28.93 3kjr s ARG 186 CO -0.00 -2.55 0.00 1.63 -0.81 0.00 0.00 175.30 173.57 3kjr n LYS 187 N 8.86 0.00 -5.16 5.12 5.02 0.95 -4.96 118.16 127.99 3kjr n LYS 187 Ca 0.28 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.27 3kjr n LYS 187 Cb 0.50 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.35 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 2.03 0.41 1.97 0.02 -1.26 -4.56 135.00 133.61 3kjr s PRO 197 Ca 0.00 -0.83 0.09 0.00 0.02 0.00 0.00 61.00 60.28 3kjr s PRO 197 Cb 0.00 -1.88 0.89 0.00 0.02 0.00 0.00 34.50 33.53 3kjr s PRO 197 CO 0.00 0.45 2.01 0.35 -0.33 0.00 0.00 177.00 179.48 3kjr h PHE 198 N 5.73 0.55 -0.73 6.54 3.57 -2.03 -1.91 116.94 128.65 3kjr h PHE 198 Ca -0.38 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.13 3kjr h PHE 198 Cb 1.14 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 3kjr h PHE 198 CO 0.40 0.30 0.45 -0.44 -2.23 0.00 0.00 178.31 176.80 3kjr h ASP 199 N 0.56 0.87 -0.35 0.41 3.32 -2.04 0.15 116.42 119.32 3kjr h ASP 199 Ca 0.23 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3kjr h ASP 199 Cb 0.22 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3kjr h ASP 199 CO -0.06 0.66 0.23 1.56 -1.72 0.00 0.00 179.24 179.91 3kjr h GLN 200 N 1.00 0.46 0.18 3.56 4.20 -1.77 0.29 115.11 123.04 3kjr h GLN 200 Ca 0.26 -0.03 -0.30 0.00 0.06 0.00 0.00 58.65 58.65 3kjr h GLN 200 Cb -0.06 -0.10 0.03 0.00 0.30 0.00 0.00 27.48 27.65 3kjr h GLN 200 CO -0.05 0.31 -1.27 -0.07 -0.67 0.00 0.00 178.83 177.07 3kjr h LEU 201 N 0.48 0.80 -0.61 1.46 3.38 -1.34 -3.34 115.31 116.14 3kjr h LEU 201 Ca 0.13 -0.88 -0.10 0.00 0.09 0.00 0.00 57.88 57.11 3kjr h LEU 201 Cb -0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3kjr h LEU 201 CO -0.03 1.62 -0.01 0.25 0.09 0.00 0.00 178.44 180.36 3kjr h LEU 202 N 0.11 1.06 -0.31 1.67 5.85 -0.55 -3.25 115.31 119.89 3kjr h LEU 202 Ca -0.21 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3kjr h LEU 202 Cb 1.98 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.72 3kjr h LEU 202 CO 0.24 1.12 0.00 0.23 -0.34 0.00 0.00 178.44 179.69 3kjr n MET 203 N -4.17 1.21 0.26 1.25 2.81 0.05 -1.95 117.12 116.58 3kjr n MET 203 Ca 0.03 -0.31 0.15 0.00 -1.81 0.00 0.00 57.70 55.77 3kjr n MET 203 Cb 0.36 -1.41 0.61 0.00 -0.71 0.00 0.00 33.22 32.07 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 0.68 0.12 0.00 2.03 1.35 -1.68 -3.47 112.91 111.94 3kjr h THR 204 Ca 0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3kjr h THR 204 Cb 0.15 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3kjr h THR 204 CO 0.00 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 3kjr n GLY 205 N 0.11 0.76 2.72 5.82 0.00 -0.82 -5.00 105.19 108.78 3kjr n GLY 205 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.57 2.61 -2.24 -1.26 -5.04 114.28 104.78 3kjr n THR 206 Ca 0.00 -1.55 -0.57 0.00 -2.27 0.00 0.00 64.05 59.66 3kjr n THR 206 Cb 0.00 -0.18 -0.07 0.00 -2.10 0.00 0.00 70.33 67.98 3kjr n THR 206 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kjr n ASP 207 N -1.91 0.83 0.15 3.42 10.43 -1.26 -4.86 116.55 123.35 3kjr n ASP 207 Ca -0.01 1.14 -0.00 0.00 2.57 0.00 0.00 54.79 58.49 3kjr n ASP 207 Cb 0.45 -1.03 0.21 0.00 1.84 0.00 0.00 41.12 42.59 3kjr n ASP 207 CO 0.00 0.00 0.00 0.16 -1.07 0.00 0.00 177.20 176.29 3kjr h ILE 208 N 3.43 1.37 -3.69 0.53 3.07 -1.96 -3.39 117.51 116.86 3kjr h ILE 208 Ca -0.49 -1.96 -0.69 0.00 1.55 0.00 0.00 64.86 63.28 3kjr h ILE 208 Cb 1.38 2.07 -0.32 0.00 -0.27 0.00 0.00 36.82 39.68 3kjr h ILE 208 CO 0.74 0.55 -0.65 -0.94 -1.05 0.00 0.00 178.15 176.81 3kjr s SER 209 N -6.82 5.06 -0.11 2.16 1.04 -1.26 -4.94 113.70 108.83 3kjr s SER 209 Ca -0.01 -1.42 0.01 0.00 0.48 0.00 0.00 55.95 55.01 3kjr s SER 209 Cb 0.13 -1.77 -0.01 0.00 0.10 0.00 0.00 66.02 64.46 3kjr s SER 209 CO 0.75 -0.34 -0.15 0.68 0.98 0.00 0.00 173.24 175.16 3kjr s VAL 210 N 1.26 2.87 0.39 5.02 -7.23 -1.26 -5.10 120.40 116.34 3kjr s VAL 210 Ca -0.01 -0.74 -0.27 0.00 -1.81 0.00 0.00 61.98 59.14 3kjr s VAL 210 Cb -0.20 -2.17 -0.11 0.00 0.56 0.00 0.00 36.38 34.45 3kjr s VAL 210 CO -0.01 0.54 1.43 -2.65 -0.31 0.00 0.00 175.10 174.10 3kjr n PRO 211 N 3.35 2.45 -1.66 4.82 -0.02 -1.26 -4.93 135.00 137.75 3kjr n PRO 211 Ca -0.18 0.86 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 3kjr n PRO 211 Cb 0.53 -2.58 0.02 0.00 -0.02 0.00 0.00 33.50 31.45 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 0.33 1.51 -1.66 -0.52 0.00 -1.26 -4.92 118.16 111.64 3kjr n LYS 212 Ca 0.03 0.55 -0.40 0.00 -0.00 0.00 0.00 58.31 58.49 3kjr n LYS 212 Cb 0.39 -2.26 0.03 0.00 -0.00 0.00 0.00 35.03 33.19 3kjr n LYS 212 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 3kjr n PRO 213 N -0.28 1.40 0.22 -1.58 -0.04 -1.26 -4.87 135.00 128.60 3kjr n PRO 213 Ca 0.09 0.51 0.07 0.00 -0.04 0.00 0.00 63.50 64.13 3kjr n PRO 213 Cb 0.42 -2.26 0.52 0.00 -0.04 0.00 0.00 33.50 32.14 3kjr n PRO 213 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3kjr h LYS 214 N 1.30 0.00 -4.97 0.54 1.57 -1.91 -3.42 116.57 109.68 3kjr h LYS 214 Ca -0.48 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.73 3kjr h LYS 214 Cb 1.33 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.31 3kjr h LYS 214 CO 0.56 0.22 -0.84 0.71 -0.57 0.00 0.00 179.45 179.52 3kjr s TYR 215 N -4.38 1.86 -0.03 -1.35 2.02 -1.26 -5.03 117.35 109.18 3kjr s TYR 215 Ca -0.03 -0.68 -0.00 0.00 -0.37 0.00 0.00 57.07 55.98 3kjr s TYR 215 Cb 0.15 -1.29 0.03 0.00 -0.40 0.00 0.00 41.96 40.44 3kjr s TYR 215 CO 0.67 -0.29 0.02 0.08 -1.57 0.00 0.00 175.55 174.46 3kjr s VAL 216 N 0.42 0.08 0.21 0.71 1.01 -1.26 -4.63 120.40 116.92 3kjr s VAL 216 Ca -0.13 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 3kjr s VAL 216 Cb -0.16 -0.22 -0.08 0.00 0.00 0.00 0.00 36.38 35.93 3kjr s VAL 216 CO 0.05 0.14 1.13 0.00 0.00 0.00 0.00 175.10 176.43 3kjr s ALA 217 N 1.32 3.40 -1.04 5.51 0.00 -1.26 -4.29 121.76 125.40 3kjr s ALA 217 Ca -0.06 0.88 -0.20 0.00 0.00 0.00 0.00 51.96 52.59 3kjr s ALA 217 Cb -0.13 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.65 3kjr s ALA 217 CO -0.03 -0.25 0.64 0.00 0.00 0.00 0.00 175.76 176.12 3kjr h PRO 219 N -1.61 0.00 0.00 0.00 0.13 -1.88 -1.41 132.00 127.23 3kjr h PRO 219 Ca -0.69 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 3kjr h PRO 219 Cb 1.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.54 3kjr h PRO 219 CO 0.45 0.02 0.00 0.78 -0.23 0.00 0.00 178.00 179.02 3kjr h GLY 220 N 0.83 0.00 -6.93 1.56 0.00 -1.88 -3.43 103.07 93.22 3kjr h GLY 220 Ca -0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 3kjr h GLY 220 CO 0.00 0.00 0.23 0.14 0.00 0.00 0.00 176.54 176.91 3kjr s VAL 221 N -3.37 4.79 -0.12 4.60 1.01 -0.53 -4.33 120.40 122.45 3kjr s VAL 221 Ca 0.05 0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.62 3kjr s VAL 221 Cb 0.09 -4.18 -0.24 0.00 0.00 0.00 0.00 36.38 32.06 3kjr s VAL 221 CO 0.52 -0.48 0.36 0.54 0.00 0.00 0.00 175.10 176.04 3kjr n ARG 222 N 6.30 0.68 -3.72 2.72 1.74 0.44 -4.74 116.66 120.08 3kjr n ARG 222 Ca 0.00 0.21 -0.38 0.00 -0.77 0.00 0.00 57.85 56.91 3kjr n ARG 222 Cb 0.48 -1.69 -0.12 0.00 -1.02 0.00 0.00 32.46 30.12 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 -2.56 4.07 -0.65 0.55 1.01 -0.99 -5.03 121.20 117.61 3kjr s ILE 223 Ca -0.14 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.74 3kjr s ILE 223 Cb 0.07 -3.19 0.23 0.00 0.01 0.00 0.00 42.46 39.59 3kjr s ILE 223 CO 0.78 -0.05 0.69 0.54 0.00 0.00 0.00 174.94 176.90 3kjr n ARG 224 N 4.88 2.34 0.00 2.79 1.74 -1.26 -1.51 116.66 125.64 3kjr n ARG 224 Ca -0.13 -4.60 0.08 0.00 -0.77 0.00 0.00 57.85 52.43 3kjr n ARG 224 Cb 0.47 -2.24 -0.10 0.00 -1.02 0.00 0.00 32.46 29.57 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 1.08 0.85 -4.71 0.55 3.02 -0.40 -4.87 115.26 110.78 3kjr n ASN 225 Ca 0.28 -0.92 -0.42 0.00 -0.03 0.00 0.00 54.58 53.48 3kjr n ASN 225 Cb 0.40 0.99 -0.03 0.00 -0.61 0.00 0.00 39.78 40.54 3kjr n ASN 225 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 3kjr n HIS 226 N -1.40 2.72 0.27 3.10 -0.00 -1.11 -3.28 115.22 115.52 3kjr n HIS 226 Ca 0.03 -0.03 0.17 0.00 0.46 0.00 0.00 57.72 58.34 3kjr n HIS 226 Cb 0.28 -2.70 0.91 0.00 -0.12 0.00 0.00 29.99 28.36 3kjr n HIS 226 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 3kjr h GLU 227 N 7.41 0.00 0.00 1.57 5.08 -1.89 -1.94 114.58 124.81 3kjr h GLU 227 Ca -0.44 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3kjr h GLU 227 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 3kjr h GLU 227 CO 0.96 0.00 -0.02 1.49 -1.00 0.00 0.00 179.01 180.44 3kjr h GLU 228 N 0.00 0.00 -0.17 2.33 4.81 -1.97 -1.84 114.58 117.75 3kjr h GLU 228 Ca 0.03 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3kjr h GLU 228 Cb 0.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3kjr h GLU 228 CO -0.00 0.02 0.16 0.74 -0.73 0.00 0.00 179.01 179.20 3kjr h PHE 229 N 0.00 0.00 -0.43 0.92 0.04 -1.69 -1.38 116.94 114.40 3kjr h PHE 229 Ca -0.00 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.80 3kjr h PHE 229 Cb 0.04 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.15 3kjr h PHE 229 CO 0.00 0.00 0.22 1.96 -0.60 0.00 0.00 178.31 179.89 3kjr h GLN 230 N 0.00 0.44 -0.07 1.51 4.20 -1.53 0.24 115.11 119.91 3kjr h GLN 230 Ca 0.08 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 3kjr h GLN 230 Cb 0.40 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3kjr h GLN 230 CO -0.00 0.29 -0.18 -0.92 -0.67 0.00 0.00 178.83 177.35 3kjr h TYR 231 N 0.45 0.30 -0.95 2.96 3.20 -1.45 -2.67 116.97 118.81 3kjr h TYR 231 Ca 0.18 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3kjr h TYR 231 Cb 0.07 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 3kjr h TYR 231 CO -0.09 0.79 0.61 -0.07 -1.64 0.00 0.00 178.16 177.76 3kjr h LEU 232 N -0.27 1.11 -1.00 2.82 3.38 -1.17 -1.39 115.31 118.79 3kjr h LEU 232 Ca -0.00 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3kjr h LEU 232 Cb 0.79 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3kjr h LEU 232 CO 0.04 0.82 0.07 0.44 0.09 0.00 0.00 178.44 179.90 3kjr h ASP 233 N 1.30 0.75 -0.43 -0.43 3.32 -0.55 -1.23 116.42 119.14 3kjr h ASP 233 Ca 0.35 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 3kjr h ASP 233 Cb -0.12 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 3kjr h ASP 233 CO -0.07 0.77 0.03 0.40 -1.72 0.00 0.00 179.24 178.65 3kjr h ILE 234 N 0.76 1.25 -0.12 0.35 2.04 -1.07 0.11 117.51 120.83 3kjr h ILE 234 Ca 0.16 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 65.09 3kjr h ILE 234 Cb 0.36 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 3kjr h ILE 234 CO 0.01 0.33 -0.11 -0.07 0.00 0.00 0.00 178.15 178.31 3kjr h LEU 235 N 0.58 -0.35 -1.10 1.44 3.38 -1.01 -0.44 115.31 117.82 3kjr h LEU 235 Ca 0.13 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3kjr h LEU 235 Cb 0.44 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 3kjr h LEU 235 CO 0.02 -0.15 0.57 0.00 0.09 0.00 0.00 178.44 178.96 3kjr h ALA 236 N 0.95 1.34 -0.48 1.53 0.00 -1.11 -0.68 119.26 120.81 3kjr h ALA 236 Ca 0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3kjr h ALA 236 Cb 0.25 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kjr h ALA 236 CO -0.20 0.60 0.05 0.22 0.00 0.00 0.00 179.25 179.92 3kjr h ASP 237 N 1.20 0.79 -0.33 0.00 3.58 -0.40 0.78 116.42 122.05 3kjr h ASP 237 Ca 0.32 -0.28 -0.12 0.00 0.42 0.00 0.00 57.03 57.37 3kjr h ASP 237 Cb -0.11 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.72 3kjr h ASP 237 CO -0.07 0.87 -0.27 0.58 -2.88 0.00 0.00 179.24 177.47 3kjr h VAL 238 N 0.68 1.29 -0.83 2.25 2.07 -0.85 0.15 116.25 121.01 3kjr h VAL 238 Ca 0.14 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 3kjr h VAL 238 Cb 0.44 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 3kjr h VAL 238 CO 0.01 0.47 0.46 -0.07 0.02 0.00 0.00 177.57 178.47 3kjr h LEU 239 N 0.54 1.02 -0.24 2.57 3.38 -1.06 0.36 115.31 121.88 3kjr h LEU 239 Ca 0.06 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.74 3kjr h LEU 239 Cb 0.84 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3kjr h LEU 239 CO 0.07 0.81 -0.84 0.28 0.09 0.00 0.00 178.44 178.85 3kjr h SER 240 N 1.15 0.65 0.00 -0.43 0.02 -0.58 -3.41 113.55 110.94 3kjr h SER 240 Ca 0.29 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3kjr h SER 240 Cb 0.01 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.35 3kjr h SER 240 CO -0.05 1.24 0.00 1.41 -1.14 0.00 0.00 176.83 178.29 3kjr n HIS 241 N -3.83 0.00 -1.74 3.45 8.25 0.49 -4.76 115.22 117.08 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 0.77 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.95 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 -0.23 2.82 -0.10 -1.41 0.00 0.13 -4.96 107.32 103.57 3kjr s GLY 242 Ca 0.00 1.18 -0.11 0.00 0.00 0.00 0.00 44.72 45.79 3kjr s GLY 242 CO 0.00 1.60 0.24 0.14 0.00 0.00 0.00 173.10 175.08 3kjr s VAL 243 N -1.45 5.33 -0.03 1.40 1.01 0.13 -4.65 120.40 122.15 3kjr s VAL 243 Ca 0.82 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 3kjr s VAL 243 Cb -0.36 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 3kjr s VAL 243 CO 0.39 0.55 1.71 -0.22 0.00 0.00 0.00 175.10 177.53 3kjr s LEU 244 N -0.64 4.35 -0.07 3.92 2.96 -1.26 -0.52 118.68 127.42 3kjr s LEU 244 Ca 0.17 2.33 -0.00 0.00 -0.22 0.00 0.00 54.13 56.41 3kjr s LEU 244 Cb -0.13 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.04 3kjr s LEU 244 CO 0.06 -0.94 -0.04 -0.75 -1.32 0.00 0.00 176.35 173.35 3kjr s LYS 245 N 3.98 0.99 0.65 1.98 2.20 0.26 -4.97 119.74 124.84 3kjr s LYS 245 Ca 0.76 -0.09 -0.16 0.00 -0.36 0.00 0.00 55.97 56.12 3kjr s LYS 245 Cb -0.35 -1.12 -0.00 0.00 -1.51 0.00 0.00 37.83 34.85 3kjr s LYS 245 CO 0.32 -0.20 1.14 -2.14 -0.36 0.00 0.00 175.35 174.11 3kjr s PRO 246 N 1.46 2.73 0.31 4.03 0.02 -1.26 -2.44 135.00 139.86 3kjr s PRO 246 Ca -0.02 1.54 -0.06 0.00 0.02 0.00 0.00 61.00 62.48 3kjr s PRO 246 Cb -0.13 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.46 3kjr s PRO 246 CO -0.03 -1.33 0.48 0.54 -0.33 0.00 0.00 177.00 176.32 3kjr s ASN 247 N -2.27 0.55 0.55 2.53 2.20 -1.26 -4.95 114.94 112.29 3kjr s ASN 247 Ca 0.70 -1.31 0.36 0.00 -0.94 0.00 0.00 52.86 51.67 3kjr s ASN 247 Cb -0.24 0.64 1.77 0.00 -2.00 0.00 0.00 41.25 41.42 3kjr s ASN 247 CO 0.40 -1.26 2.09 0.08 -2.94 0.00 0.00 177.10 175.47 3kjr h ARG 248 N 2.17 0.00 0.00 3.55 0.11 -1.94 -2.89 114.38 115.38 3kjr h ARG 248 Ca -0.28 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.69 3kjr h ARG 248 Cb 1.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 3kjr h ARG 248 CO 0.39 0.00 -0.48 1.79 0.10 0.00 0.00 179.97 181.77 3kjr h THR 249 N 0.00 1.00 0.00 0.08 1.35 -1.96 -3.47 112.91 109.90 3kjr h THR 249 Ca 0.00 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 3kjr h THR 249 Cb 0.23 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 3kjr h THR 249 CO 0.00 0.47 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 3kjr n GLY 250 N 0.58 2.37 3.59 5.82 0.00 -1.09 -4.66 105.19 111.80 3kjr n GLY 250 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.25 5.11 0.79 2.61 2.01 -1.26 -4.99 115.64 117.67 3kjr s THR 251 Ca 0.00 0.57 -0.11 0.00 0.31 0.00 0.00 61.69 62.46 3kjr s THR 251 Cb 0.00 -3.79 0.07 0.00 0.01 0.00 0.00 72.50 68.78 3kjr s THR 251 CO 0.00 0.05 1.09 -1.81 -0.69 0.00 0.00 174.62 173.25 3kjr s ASP 252 N 1.65 4.36 0.03 3.53 1.01 -1.26 -4.63 116.67 121.35 3kjr s ASP 252 Ca 0.17 1.70 -0.04 0.00 0.71 0.00 0.00 52.55 55.10 3kjr s ASP 252 Cb -0.16 -2.42 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 3kjr s ASP 252 CO 0.10 -2.11 0.05 0.00 0.21 0.00 0.00 175.17 173.43 3kjr s ALA 253 N -2.94 0.04 -0.05 5.23 0.00 -1.02 -1.43 121.76 121.59 3kjr s ALA 253 Ca 0.61 -0.62 -0.23 0.00 0.00 0.00 0.00 51.96 51.72 3kjr s ALA 253 Cb -0.17 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3kjr s ALA 253 CO 0.56 -0.28 0.70 0.71 0.00 0.00 0.00 175.76 177.45 3kjr s TYR 254 N -2.45 3.60 -0.01 0.00 1.51 -0.23 -0.57 117.35 119.20 3kjr s TYR 254 Ca -0.06 1.27 0.03 0.00 -1.01 0.00 0.00 57.07 57.30 3kjr s TYR 254 Cb -0.02 -2.80 -0.01 0.00 -0.11 0.00 0.00 41.96 39.02 3kjr s TYR 254 CO -0.04 0.12 -0.10 0.45 -1.11 0.00 0.00 175.55 174.87 3kjr s SER 255 N 0.66 1.21 0.02 2.29 0.15 0.33 -0.99 113.70 117.37 3kjr s SER 255 Ca 0.37 -0.19 -0.04 0.00 0.70 0.00 0.00 55.95 56.80 3kjr s SER 255 Cb -0.18 -0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 63.96 3kjr s SER 255 CO 0.19 0.12 0.05 -0.75 1.20 0.00 0.00 173.24 174.05 3kjr s LYS 256 N -0.20 0.47 -0.14 5.44 2.20 -0.41 -0.70 119.74 126.42 3kjr s LYS 256 Ca 0.03 -0.67 -0.01 0.00 -0.36 0.00 0.00 55.97 54.96 3kjr s LYS 256 Cb -0.04 0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 36.44 3kjr s LYS 256 CO -0.00 -0.10 -0.09 0.12 -0.36 0.00 0.00 175.35 174.91 3kjr s PHE 257 N -2.06 2.90 0.00 4.03 5.36 -1.26 -1.66 117.98 125.29 3kjr s PHE 257 Ca -0.10 -0.47 0.00 0.00 -0.96 0.00 0.00 56.93 55.40 3kjr s PHE 257 Cb -0.05 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.75 3kjr s PHE 257 CO -0.02 -0.11 0.00 0.41 -1.46 0.00 0.00 175.22 174.03 3kjr n GLY 258 N 3.46 -1.39 3.16 13.12 0.00 -0.38 -5.02 105.19 118.13 3kjr n GLY 258 Ca -0.18 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 0.85 -0.06 1.61 2.02 -0.39 -4.99 117.35 116.39 3kjr s TYR 259 Ca 0.00 -1.10 -0.02 0.00 -0.37 0.00 0.00 57.07 55.57 3kjr s TYR 259 Cb 0.00 -0.51 0.04 0.00 -0.40 0.00 0.00 41.96 41.09 3kjr s TYR 259 CO 0.00 -0.37 0.12 -1.14 -1.57 0.00 0.00 175.55 172.59 3kjr s GLN 260 N -3.96 0.02 0.21 -0.62 0.74 -1.26 -0.90 119.66 113.89 3kjr s GLN 260 Ca 0.18 0.42 0.09 0.00 0.05 0.00 0.00 55.36 56.10 3kjr s GLN 260 Cb 0.07 -0.29 -0.04 0.00 1.10 0.00 0.00 33.01 33.85 3kjr s GLN 260 CO -0.02 -0.25 -0.07 -1.64 -0.55 0.00 0.00 175.29 172.76 3kjr s MET 261 N 1.78 2.11 0.02 1.67 -1.94 0.07 -4.95 119.30 118.06 3kjr s MET 261 Ca -0.02 -1.34 -0.01 0.00 -1.71 0.00 0.00 55.69 52.61 3kjr s MET 261 Cb -0.12 -2.14 -0.02 0.00 2.01 0.00 0.00 34.83 34.56 3kjr s MET 261 CO -0.05 0.41 -0.00 -0.98 -0.01 0.00 0.00 175.02 174.39 3kjr s ARG 262 N -3.12 0.32 -0.05 2.03 1.70 -1.26 -0.09 118.95 118.48 3kjr s ARG 262 Ca 0.27 -0.53 -0.00 0.00 -0.47 0.00 0.00 55.73 55.00 3kjr s ARG 262 Cb -0.08 0.12 0.03 0.00 -0.57 0.00 0.00 34.95 34.44 3kjr s ARG 262 CO 0.17 -0.06 -0.01 -0.06 -1.08 0.00 0.00 175.30 174.26 3kjr s PHE 263 N -1.34 0.57 -0.58 5.89 0.08 -0.09 -4.98 117.98 117.53 3kjr s PHE 263 Ca -0.15 -0.11 -0.27 0.00 0.12 0.00 0.00 56.93 56.51 3kjr s PHE 263 Cb -0.09 -0.64 0.03 0.00 -0.57 0.00 0.00 43.02 41.75 3kjr s PHE 263 CO -0.01 -0.23 1.15 0.34 -0.10 0.00 0.00 175.22 176.38 3kjr s ASP 264 N 1.41 6.42 0.00 1.36 -1.08 -1.26 -1.03 116.67 122.49 3kjr s ASP 264 Ca -0.04 0.01 0.25 0.00 -0.52 0.00 0.00 52.55 52.26 3kjr s ASP 264 Cb -0.13 -2.53 1.11 0.00 -1.46 0.00 0.00 42.92 39.90 3kjr s ASP 264 CO -0.03 -1.45 1.82 0.18 0.52 0.00 0.00 175.17 176.21 3kjr n LEU 265 N 8.31 0.00 0.20 -1.34 4.77 0.17 -2.47 117.00 126.64 3kjr n LEU 265 Ca 0.07 0.48 0.10 0.00 -0.03 0.00 0.00 56.01 56.63 3kjr n LEU 265 Cb 0.49 -0.48 0.22 0.00 -2.33 0.00 0.00 43.42 41.31 3kjr n LEU 265 CO 0.70 -0.06 0.73 0.77 -1.33 0.00 0.00 177.39 178.21 3kjr h SER 266 N 0.00 0.00 0.08 -1.43 4.64 -1.71 -3.37 113.55 111.76 3kjr h SER 266 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 3kjr h SER 266 Cb 0.42 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 3kjr h SER 266 CO 0.00 0.17 -2.17 0.54 -0.87 0.00 0.00 176.83 174.50 3kjr n ARG 267 N -3.17 0.72 -3.80 4.77 1.74 -1.03 -4.84 116.66 111.05 3kjr n ARG 267 Ca 0.03 0.22 -0.05 0.00 -0.77 0.00 0.00 57.85 57.28 3kjr n ARG 267 Cb 0.55 -1.64 -0.01 0.00 -1.02 0.00 0.00 32.46 30.34 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 -6.86 -0.15 -0.20 0.55 1.04 -1.19 -2.67 113.70 104.21 3kjr s SER 268 Ca -0.27 -0.58 -0.04 0.00 0.48 0.00 0.00 55.95 55.55 3kjr s SER 268 Cb 0.07 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.77 3kjr s SER 268 CO 0.71 -1.11 -0.03 0.12 0.98 0.00 0.00 173.24 173.91 3kjr s PHE 269 N -3.19 2.99 -1.44 5.02 5.36 -0.30 -4.38 117.98 122.05 3kjr s PHE 269 Ca 0.14 -0.67 -0.09 0.00 -0.96 0.00 0.00 56.93 55.35 3kjr s PHE 269 Cb -0.03 -2.08 0.05 0.00 -0.34 0.00 0.00 43.02 40.62 3kjr s PHE 269 CO 0.05 -0.37 2.46 -0.35 -1.46 0.00 0.00 175.22 175.55 3kjr n PRO 270 N 4.43 3.83 -2.97 10.12 -0.04 -1.26 -3.63 135.00 145.48 3kjr n PRO 270 Ca -0.18 -2.91 -0.42 0.00 -0.04 0.00 0.00 63.50 59.96 3kjr n PRO 270 Cb 0.51 -2.85 -0.05 0.00 -0.04 0.00 0.00 33.50 31.07 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 -0.27 4.10 0.39 1.53 2.96 -1.26 -4.28 118.68 121.84 3kjr s LEU 271 Ca 0.55 0.62 -0.26 0.00 -0.22 0.00 0.00 54.13 54.83 3kjr s LEU 271 Cb 0.16 -3.04 -0.11 0.00 0.50 0.00 0.00 46.19 43.70 3kjr s LEU 271 CO -0.06 -0.60 1.22 0.18 -1.32 0.00 0.00 176.35 175.77 3kjr n LEU 272 N 6.17 3.56 -0.00 -0.68 4.77 -1.26 -4.66 117.00 124.89 3kjr n LEU 272 Ca 0.03 1.13 0.08 0.00 -0.03 0.00 0.00 56.01 57.22 3kjr n LEU 272 Cb 0.48 -1.46 -0.11 0.00 -2.33 0.00 0.00 43.42 40.00 3kjr n LEU 272 CO 0.50 -0.77 -0.38 0.35 -1.33 0.00 0.00 177.39 175.76 3kjr n THR 273 N -0.08 0.00 1.53 -5.08 -2.24 -1.26 -4.41 114.28 102.75 3kjr n THR 273 Ca 0.07 -0.26 0.15 0.00 -2.27 0.00 0.00 64.05 61.74 3kjr n THR 273 Cb 0.38 0.55 0.79 0.00 -2.10 0.00 0.00 70.33 69.95 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 -1.73 0.00 -3.88 4.28 -2.24 -1.26 -0.76 114.28 108.70 3kjr n THR 274 Ca -0.00 -0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 3kjr n THR 274 Cb 0.33 -0.50 -0.07 0.00 -2.10 0.00 0.00 70.33 67.99 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 -2.47 0.86 -0.34 -0.78 -2.85 -1.26 -4.67 119.74 108.24 3kjr s LYS 275 Ca 0.32 -0.99 -0.29 0.00 -1.00 0.00 0.00 55.97 54.01 3kjr s LYS 275 Cb 0.21 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.32 3kjr s LYS 275 CO 0.44 -0.27 1.38 0.21 0.10 0.00 0.00 175.35 177.21 3kjr s LYS 276 N -3.87 3.76 0.07 1.78 2.20 -0.85 -4.66 119.74 118.17 3kjr s LYS 276 Ca 0.06 1.16 -0.16 0.00 -0.36 0.00 0.00 55.97 56.67 3kjr s LYS 276 Cb 0.05 -3.96 -0.06 0.00 -1.51 0.00 0.00 37.83 32.35 3kjr s LYS 276 CO -0.10 -1.32 0.50 0.08 -0.36 0.00 0.00 175.35 174.15 3kjr s VAL 277 N 4.90 4.88 -1.38 4.02 1.01 -1.26 -4.53 120.40 128.03 3kjr s VAL 277 Ca 0.60 0.94 -0.16 0.00 0.00 0.00 0.00 61.98 63.36 3kjr s VAL 277 Cb -0.16 -3.78 0.05 0.00 0.00 0.00 0.00 36.38 32.49 3kjr s VAL 277 CO 0.28 0.46 2.01 0.00 0.00 0.00 0.00 175.10 177.84 3kjr n ALA 278 N 1.43 4.64 -0.26 5.51 0.00 -1.26 -4.80 120.51 125.77 3kjr n ALA 278 Ca -0.10 -3.86 0.06 0.00 0.00 0.00 0.00 53.44 49.54 3kjr n ALA 278 Cb 0.52 -3.57 0.19 0.00 0.00 0.00 0.00 19.45 16.59 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 11.19 0.25 -0.81 0.00 5.85 -2.00 -1.74 115.31 128.05 3kjr h LEU 279 Ca 0.51 0.12 0.08 0.00 0.84 0.00 0.00 57.88 59.43 3kjr h LEU 279 Cb 0.74 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 3kjr h LEU 279 CO 1.70 0.08 0.47 -0.09 -0.34 0.00 0.00 178.44 180.26 3kjr h ARG 280 N 0.42 0.80 -0.60 1.25 2.43 -2.00 -0.52 114.38 116.16 3kjr h ARG 280 Ca 0.42 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.49 3kjr h ARG 280 Cb 0.66 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3kjr h ARG 280 CO -0.42 0.53 0.17 0.77 -1.51 0.00 0.00 179.97 179.51 3kjr h SER 281 N 0.82 0.89 -0.01 -3.80 0.02 -1.74 -0.89 113.55 108.84 3kjr h SER 281 Ca 0.38 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3kjr h SER 281 Cb 0.30 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3kjr h SER 281 CO -0.22 0.87 -0.09 0.40 -1.14 0.00 0.00 176.83 176.64 3kjr h ILE 282 N 0.86 0.76 -0.32 3.27 2.04 -1.02 -0.98 117.51 122.12 3kjr h ILE 282 Ca 0.19 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 3kjr h ILE 282 Cb 0.31 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3kjr h ILE 282 CO -0.00 0.00 0.19 0.40 0.00 0.00 0.00 178.15 178.74 3kjr h ILE 283 N -0.16 1.12 -0.69 -0.67 2.04 -1.01 -1.30 117.51 116.84 3kjr h ILE 283 Ca 0.04 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 3kjr h ILE 283 Cb 0.21 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3kjr h ILE 283 CO -0.10 0.12 0.14 -0.33 0.00 0.00 0.00 178.15 177.98 3kjr h GLU 284 N 0.41 1.11 -0.52 2.37 4.39 -1.02 -1.14 114.58 120.20 3kjr h GLU 284 Ca 0.12 -0.28 0.01 0.00 0.34 0.00 0.00 59.36 59.55 3kjr h GLU 284 Cb 0.02 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 3kjr h GLU 284 CO -0.02 1.00 0.33 1.49 -1.16 0.00 0.00 179.01 180.64 3kjr h GLU 285 N 1.05 0.64 -0.53 2.33 4.81 -1.01 -1.99 114.58 119.89 3kjr h GLU 285 Ca 0.21 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 3kjr h GLU 285 Cb 0.41 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3kjr h GLU 285 CO 0.01 0.42 0.02 1.25 -0.73 0.00 0.00 179.01 179.98 3kjr h LEU 286 N 0.66 0.90 -1.49 1.64 5.85 -0.76 -0.96 115.31 121.14 3kjr h LEU 286 Ca 0.20 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3kjr h LEU 286 Cb -0.03 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3kjr h LEU 286 CO -0.07 0.97 0.09 -0.07 -0.34 0.00 0.00 178.44 179.03 3kjr h LEU 287 N 0.79 0.39 -0.19 2.25 3.38 -1.09 -0.68 115.31 120.16 3kjr h LEU 287 Ca 0.15 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3kjr h LEU 287 Cb 0.50 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3kjr h LEU 287 CO 0.02 0.38 -0.17 -0.25 0.09 0.00 0.00 178.44 178.51 3kjr h TRP 288 N 0.43 0.54 -0.29 1.13 7.01 -0.94 -0.95 115.95 122.88 3kjr h TRP 288 Ca 0.10 -0.16 0.05 0.00 2.11 0.00 0.00 58.89 61.00 3kjr h TRP 288 Cb 0.14 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.03 3kjr h TRP 288 CO 0.00 0.81 -0.04 0.74 -2.79 0.00 0.00 178.44 177.16 3kjr h PHE 289 N 0.12 -0.09 -0.83 2.65 0.04 -0.72 -2.36 116.94 115.75 3kjr h PHE 289 Ca 0.03 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 3kjr h PHE 289 Cb 0.71 0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.91 3kjr h PHE 289 CO 0.08 -0.09 0.38 0.82 -0.60 0.00 0.00 178.31 178.89 3kjr h ILE 290 N 0.04 1.26 0.00 -0.55 2.04 -0.95 0.03 117.51 119.37 3kjr h ILE 290 Ca 0.14 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3kjr h ILE 290 Cb 0.20 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3kjr h ILE 290 CO -0.27 0.32 0.00 2.29 0.00 0.00 0.00 178.15 180.49 3kjr n LYS 291 N -4.29 0.31 -0.87 2.37 2.85 -0.38 -4.88 118.16 113.27 3kjr n LYS 291 Ca 0.08 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 3kjr n LYS 291 Cb 0.16 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.04 3kjr n LYS 291 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3kjr n GLY 292 N 0.47 0.52 3.80 2.58 0.00 -0.00 -5.04 105.19 107.52 3kjr n GLY 292 Ca 0.10 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.40 7.20 -0.02 1.61 0.15 -0.91 -3.63 113.70 115.70 3kjr s SER 293 Ca 0.00 1.72 0.03 0.00 0.70 0.00 0.00 55.95 58.40 3kjr s SER 293 Cb 0.00 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.81 3kjr s SER 293 CO 0.00 -0.12 0.93 0.35 1.20 0.00 0.00 173.24 175.60 3kjr n THR 294 N 0.31 0.89 -2.97 6.45 -2.24 -1.26 -4.26 114.28 111.19 3kjr n THR 294 Ca 0.02 -0.94 -0.43 0.00 -2.27 0.00 0.00 64.05 60.43 3kjr n THR 294 Cb 0.51 0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.06 6.28 0.56 3.42 3.84 -1.26 -2.02 114.94 124.69 3kjr s ASN 295 Ca 0.04 -0.65 0.30 0.00 0.21 0.00 0.00 52.86 52.76 3kjr s ASN 295 Cb 0.04 -2.38 1.67 0.00 -0.55 0.00 0.00 41.25 40.04 3kjr s ASN 295 CO 0.00 -1.12 2.16 1.23 -2.79 0.00 0.00 177.10 176.59 3kjr h GLY 296 N 10.50 0.00 2.00 1.21 0.00 -1.09 -2.03 103.07 113.66 3kjr h GLY 296 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 3kjr h GLY 296 CO 1.05 0.00 -0.01 3.43 0.00 0.00 0.00 176.54 181.01 3kjr h ASN 297 N 0.00 0.00 -0.86 0.19 2.35 -1.91 -2.28 115.58 113.07 3kjr h ASN 297 Ca -0.00 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 3kjr h ASN 297 Cb 0.20 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 3kjr h ASN 297 CO 0.01 0.01 0.56 0.44 -1.65 0.00 0.00 177.43 176.80 3kjr h ASP 298 N 0.00 0.79 0.11 5.81 3.32 -1.75 -0.09 116.42 124.62 3kjr h ASP 298 Ca -0.00 0.02 -0.19 0.00 0.02 0.00 0.00 57.03 56.88 3kjr h ASP 298 Cb 0.02 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.43 3kjr h ASP 298 CO 0.00 0.48 -0.88 -0.07 -1.72 0.00 0.00 179.24 177.06 3kjr h LEU 299 N 0.88 0.38 -1.20 1.55 3.38 -1.59 -3.31 115.31 115.40 3kjr h LEU 299 Ca 0.39 -0.92 0.09 0.00 0.09 0.00 0.00 57.88 57.53 3kjr h LEU 299 Cb 0.34 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3kjr h LEU 299 CO -0.16 1.40 0.57 -0.07 0.09 0.00 0.00 178.44 180.28 3kjr h LEU 300 N -0.45 0.81 -2.48 1.67 3.38 -1.23 0.04 115.31 117.05 3kjr h LEU 300 Ca -0.17 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3kjr h LEU 300 Cb 1.58 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 3kjr h LEU 300 CO 0.10 0.49 -0.00 0.00 0.09 0.00 0.00 178.44 179.11 3kjr h ALA 301 N 1.55 1.01 -0.51 1.53 0.00 -1.10 -0.05 119.26 121.69 3kjr h ALA 301 Ca 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3kjr h ALA 301 Cb 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kjr h ALA 301 CO -0.17 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.72 3kjr n LYS 302 N -3.11 3.91 -3.06 0.00 5.02 -0.10 -4.95 118.16 115.88 3kjr n LYS 302 Ca -0.02 -2.92 -0.22 0.00 -2.02 0.00 0.00 58.31 53.13 3kjr n LYS 302 Cb 0.15 -1.97 0.03 0.00 -0.02 0.00 0.00 35.03 33.22 3kjr n LYS 302 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kjr n ASN 303 N 0.51 -5.74 -4.30 4.39 3.02 -0.03 -4.98 115.26 108.12 3kjr n ASN 303 Ca 0.24 -0.29 -0.35 0.00 -0.03 0.00 0.00 54.58 54.15 3kjr n ASN 303 Cb 0.97 -4.65 -0.14 0.00 -0.61 0.00 0.00 39.78 35.35 3kjr n ASN 303 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kjr s VAL 304 N -3.14 3.44 -0.53 2.41 1.01 -0.63 -5.01 120.40 117.96 3kjr s VAL 304 Ca 0.31 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.75 3kjr s VAL 304 Cb -0.14 -2.65 0.23 0.00 0.00 0.00 0.00 36.38 33.82 3kjr s VAL 304 CO 0.39 0.31 1.18 0.54 0.00 0.00 0.00 175.10 177.52 3kjr n ARG 305 N 4.79 2.84 0.26 2.72 1.74 -1.26 -3.03 116.66 124.72 3kjr n ARG 305 Ca -0.17 -1.97 0.12 0.00 -0.77 0.00 0.00 57.85 55.06 3kjr n ARG 305 Cb 0.50 -1.25 0.69 0.00 -1.02 0.00 0.00 32.46 31.38 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 1.27 0.55 -0.02 0.55 3.07 -1.96 -2.29 117.51 118.67 3kjr h ILE 306 Ca 0.00 -0.62 0.00 0.00 1.55 0.00 0.00 64.86 65.79 3kjr h ILE 306 Cb 0.74 1.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 3kjr h ILE 306 CO 0.02 0.13 -0.28 0.79 -1.05 0.00 0.00 178.15 177.76 3kjr n TRP 307 N -3.59 0.00 -0.02 0.16 7.02 -1.26 -4.72 117.44 115.04 3kjr n TRP 307 Ca -0.01 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.38 3kjr n TRP 307 Cb 0.27 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.13 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 3.14 -0.24 -0.23 -0.99 4.81 -1.74 -2.39 114.58 116.94 3kjr h GLU 308 Ca 0.00 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3kjr h GLU 308 Cb 0.81 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 3kjr h GLU 308 CO 0.00 -0.16 0.03 -0.07 -0.73 0.00 0.00 179.01 178.08 3kjr h LEU 309 N -0.25 0.30 -0.16 1.64 3.38 -1.84 -1.08 115.31 117.30 3kjr h LEU 309 Ca 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3kjr h LEU 309 Cb 0.42 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3kjr h LEU 309 CO -0.31 0.33 0.00 0.59 0.09 0.00 0.00 178.44 179.14 3kjr n ASN 310 N -4.38 0.26 -0.55 -0.43 5.03 -0.91 -3.11 115.26 111.17 3kjr n ASN 310 Ca 0.00 0.55 0.07 0.00 0.87 0.00 0.00 54.58 56.08 3kjr n ASN 310 Cb 0.17 -0.61 0.05 0.00 -1.02 0.00 0.00 39.78 38.37 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 0.53 0.04 3.82 7.41 0.00 -0.42 -4.74 105.19 111.82 3kjr n GLY 311 Ca 0.04 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.35 3.64 0.18 1.61 0.52 -1.15 0.28 118.95 122.67 3kjr s ARG 312 Ca 0.16 1.10 -0.22 0.00 -0.52 0.00 0.00 55.73 56.26 3kjr s ARG 312 Cb 0.12 -2.08 0.09 0.00 0.52 0.00 0.00 34.95 33.60 3kjr s ARG 312 CO 0.22 -0.54 1.59 -0.09 0.02 0.00 0.00 175.30 176.51 3kjr h ARG 313 N 0.74 -0.19 -0.68 3.54 9.65 -1.94 -0.87 114.38 124.62 3kjr h ARG 313 Ca -0.47 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 58.52 3kjr h ARG 313 Cb 1.20 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 29.75 3kjr h ARG 313 CO 0.59 -0.13 0.31 -0.44 2.80 0.00 0.00 179.97 183.10 3kjr h ASP 314 N -0.20 0.37 -0.16 -3.80 5.19 -1.95 0.15 116.42 116.01 3kjr h ASP 314 Ca 0.21 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.66 3kjr h ASP 314 Cb 0.54 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 3kjr h ASP 314 CO -0.62 0.21 0.00 0.15 -3.12 0.00 0.00 179.24 175.86 3kjr h PHE 315 N 0.52 0.31 -0.20 4.55 3.57 -1.63 -2.16 116.94 121.90 3kjr h PHE 315 Ca 0.34 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 3kjr h PHE 315 Cb 0.39 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3kjr h PHE 315 CO -0.13 0.50 0.07 -0.07 -2.23 0.00 0.00 178.31 176.45 3kjr h LEU 316 N 0.04 0.29 -0.16 0.59 3.38 -0.70 -2.64 115.31 116.11 3kjr h LEU 316 Ca 0.05 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.86 3kjr h LEU 316 Cb 0.37 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3kjr h LEU 316 CO 0.01 0.40 -0.03 0.44 0.09 0.00 0.00 178.44 179.35 3kjr h ASP 317 N 0.16 -0.12 0.86 -0.43 3.32 -0.74 0.31 116.42 119.78 3kjr h ASP 317 Ca 0.07 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3kjr h ASP 317 Cb 0.21 0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3kjr h ASP 317 CO -0.00 -0.04 -0.00 0.07 -1.72 0.00 0.00 179.24 177.54 3kjr h LYS 318 N 0.02 0.00 -0.40 3.56 2.10 -1.34 0.35 116.57 120.86 3kjr h LYS 318 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 3kjr h LYS 318 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 3kjr h LYS 318 CO -0.16 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.39 3kjr n ASN 319 N -3.10 2.48 0.00 7.07 3.02 -0.97 -4.94 115.26 118.82 3kjr n ASN 319 Ca 0.00 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 3kjr n ASN 319 Cb 0.27 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 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 1.27 0.64 2.58 7.41 0.00 0.12 -4.91 105.19 112.30 3kjr n GLY 320 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.69 2.66 0.24 1.61 3.72 0.10 -4.72 117.46 118.38 3kjr n PHE 321 Ca 0.00 -2.71 0.13 0.00 -0.05 0.00 0.00 57.45 54.82 3kjr n PHE 321 Cb 0.00 -1.58 0.56 0.00 -0.94 0.00 0.00 39.48 37.52 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 2.55 0.37 -0.01 4.37 1.35 -1.84 -2.61 112.91 117.09 3kjr h THR 322 Ca 0.60 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3kjr h THR 322 Cb 0.34 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3kjr h THR 322 CO 1.37 0.14 -0.18 0.47 -0.25 0.00 0.00 175.52 177.07 3kjr n ASP 323 N -3.31 1.36 -4.74 5.36 8.00 -1.26 -4.91 116.55 117.05 3kjr n ASP 323 Ca 0.00 -1.20 -0.40 0.00 0.71 0.00 0.00 54.79 53.91 3kjr n ASP 323 Cb 0.37 0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.53 3kjr n ASP 323 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3kjr s ARG 324 N -2.31 4.47 0.47 -1.24 3.52 -0.98 -5.04 118.95 117.83 3kjr s ARG 324 Ca 0.28 1.01 -0.24 0.00 -0.13 0.00 0.00 55.73 56.65 3kjr s ARG 324 Cb 0.20 -3.38 -0.07 0.00 -1.56 0.00 0.00 34.95 30.13 3kjr s ARG 324 CO 0.45 0.23 1.32 -2.00 -0.81 0.00 0.00 175.30 174.49 3kjr s GLU 325 N 0.16 3.60 0.30 5.12 2.12 -1.26 -4.95 118.70 123.79 3kjr s GLU 325 Ca 0.38 2.16 -0.29 0.00 0.36 0.00 0.00 54.97 57.57 3kjr s GLU 325 Cb -0.20 -2.50 -0.13 0.00 0.26 0.00 0.00 34.13 31.56 3kjr s GLU 325 CO 0.21 -0.80 1.32 0.39 -0.54 0.00 0.00 175.26 175.84 3kjr n GLU 326 N -0.44 2.04 -1.15 4.30 1.02 -1.26 -1.39 120.64 123.77 3kjr n GLU 326 Ca 0.07 0.72 -0.05 0.00 -0.02 0.00 0.00 57.16 57.88 3kjr n GLU 326 Cb 0.45 -2.32 -0.02 0.00 -0.02 0.00 0.00 31.44 29.53 3kjr n GLU 326 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3kjr n HIS 327 N 0.94 0.00 -2.77 -0.32 8.25 0.14 -4.89 115.22 116.56 3kjr n HIS 327 Ca 0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.11 3kjr n HIS 327 Cb 0.34 -1.75 -0.04 0.00 1.12 0.00 0.00 29.99 29.66 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 -2.32 6.28 0.00 0.41 3.68 -0.48 -0.41 116.67 123.84 3kjr s ASP 328 Ca 0.00 -0.48 0.14 0.00 2.13 0.00 0.00 52.55 54.35 3kjr s ASP 328 Cb 0.00 -2.46 0.64 0.00 -1.45 0.00 0.00 42.92 39.65 3kjr s ASP 328 CO 0.00 -1.40 1.44 0.18 0.13 0.00 0.00 175.17 175.52 3kjr n LEU 329 N 7.91 0.84 0.00 -1.34 4.77 -0.85 -4.88 117.00 123.44 3kjr n LEU 329 Ca 0.01 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 3kjr n LEU 329 Cb 0.47 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3kjr n LEU 329 CO 0.66 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3kjr n GLY 330 N 0.88 -1.52 2.59 -0.72 0.00 -1.26 -4.39 105.19 100.78 3kjr n GLY 330 Ca 0.11 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.94 3.25 0.00 1.61 -0.04 -1.26 -4.82 135.00 132.80 3kjr n PRO 331 Ca 0.00 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.89 3kjr n PRO 331 Cb 0.00 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.38 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 4.36 0.00 -0.18 0.52 -5.35 -1.26 -4.56 119.36 112.88 3kjr n ILE 332 Ca 0.60 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 63.02 3kjr n ILE 332 Cb 0.33 -0.58 -0.00 0.00 -1.74 0.00 0.00 39.64 37.64 3kjr n ILE 332 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3kjr h TYR 333 N 0.00 -0.96 -0.60 4.28 0.05 -1.91 -1.78 116.97 116.05 3kjr h TYR 333 Ca 0.00 0.07 0.09 0.00 0.05 0.00 0.00 58.73 58.94 3kjr h TYR 333 Cb 0.00 0.50 -0.07 0.00 1.01 0.00 0.00 36.73 38.17 3kjr h TYR 333 CO 0.00 -0.39 0.22 0.78 -1.05 0.00 0.00 178.16 177.72 3kjr h GLY 334 N -0.19 0.83 0.94 3.88 0.00 -1.75 0.11 103.07 106.89 3kjr h GLY 334 Ca 0.21 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 3kjr h GLY 334 CO -0.64 -0.02 0.10 -2.75 0.00 0.00 0.00 176.54 173.23 3kjr h PHE 335 N 0.40 0.71 -0.17 5.60 3.57 -1.42 -2.40 116.94 123.24 3kjr h PHE 335 Ca 0.30 -0.09 -0.16 0.00 3.53 0.00 0.00 57.97 61.55 3kjr h PHE 335 Cb 0.36 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3kjr h PHE 335 CO -0.17 0.67 -0.56 1.96 -2.23 0.00 0.00 178.31 177.98 3kjr h GLN 336 N 0.54 0.51 -0.36 1.11 1.08 -0.68 0.52 115.11 117.82 3kjr h GLN 336 Ca 0.13 -0.33 -0.10 0.00 -1.45 0.00 0.00 58.65 56.90 3kjr h GLN 336 Cb 0.32 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 3kjr h GLN 336 CO 0.00 0.93 -0.18 -1.49 -0.95 0.00 0.00 178.83 177.15 3kjr h TRP 337 N 0.39 0.76 0.00 2.96 4.06 -0.76 -3.11 115.95 120.25 3kjr h TRP 337 Ca 0.01 -0.15 0.00 0.00 2.06 0.00 0.00 58.89 60.80 3kjr h TRP 337 Cb 1.10 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 29.07 3kjr h TRP 337 CO 0.04 0.81 -1.50 0.54 -3.56 0.00 0.00 178.44 174.78 3kjr n ARG 338 N -4.14 0.71 -1.45 0.49 5.12 -0.91 -1.45 116.66 115.03 3kjr n ARG 338 Ca 0.01 -0.11 0.03 0.00 -1.93 0.00 0.00 57.85 55.85 3kjr n ARG 338 Cb 0.39 -1.30 0.01 0.00 -1.16 0.00 0.00 32.46 30.40 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 -1.89 0.00 -1.65 -1.55 8.25 0.18 -3.36 115.22 115.20 3kjr n HIS 339 Ca -0.02 -0.49 -0.52 0.00 -0.26 0.00 0.00 57.72 56.43 3kjr n HIS 339 Cb 0.34 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 31.30 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 0.45 1.89 -0.04 4.41 7.35 -0.57 -1.17 117.46 129.79 3kjr n PHE 340 Ca 0.03 0.46 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 3kjr n PHE 340 Cb 1.11 -2.44 0.00 0.00 0.35 0.00 0.00 39.48 38.49 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 3.32 1.32 3.78 7.13 0.00 -1.26 0.57 105.19 120.05 3kjr n GLY 341 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.49 2.34 -0.27 4.61 0.00 -0.32 -4.78 121.76 120.84 3kjr s ALA 342 Ca 0.00 0.28 -0.28 0.00 0.00 0.00 0.00 51.96 51.95 3kjr s ALA 342 Cb 0.00 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.87 3kjr s ALA 342 CO 0.00 -1.64 1.02 -2.00 0.00 0.00 0.00 175.76 173.15 3kjr s GLU 343 N -4.83 4.15 0.14 0.00 2.12 -1.26 -4.97 118.70 114.06 3kjr s GLU 343 Ca 0.61 1.16 -0.30 0.00 0.36 0.00 0.00 54.97 56.80 3kjr s GLU 343 Cb -0.17 -3.69 -0.07 0.00 0.26 0.00 0.00 34.13 30.46 3kjr s GLU 343 CO 0.54 -0.74 1.14 -0.47 -0.54 0.00 0.00 175.26 175.19 3kjr s TYR 344 N 3.35 3.52 0.00 5.30 5.04 -1.26 -4.95 117.35 128.35 3kjr s TYR 344 Ca 0.43 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.55 3kjr s TYR 344 Cb -0.14 -3.34 0.00 0.00 0.35 0.00 0.00 41.96 38.83 3kjr s TYR 344 CO 0.10 -0.88 0.00 1.28 -1.34 0.00 0.00 175.55 174.71 3kjr n LEU 345 N 2.85 0.00 0.00 6.97 4.77 -1.26 -5.11 117.00 125.22 3kjr n LEU 345 Ca 0.05 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.93 3kjr n LEU 345 Cb 0.46 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3kjr n LEU 345 CO 0.55 -0.12 0.26 -0.90 -1.33 0.00 0.00 177.39 175.84 3kjr n ASP 346 N -1.53 -1.40 0.00 -1.43 5.68 -1.26 -5.04 116.55 111.57 3kjr n ASP 346 Ca 0.00 -2.40 0.10 0.00 -0.50 0.00 0.00 54.79 51.99 3kjr n ASP 346 Cb 0.00 2.46 0.49 0.00 -1.14 0.00 0.00 41.12 42.93 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 -0.44 0.24 0.00 0.11 0.00 -1.26 -3.17 117.12 112.60 3kjr n MET 347 Ca -0.03 0.11 0.11 0.00 0.00 0.00 0.00 57.70 57.89 3kjr n MET 347 Cb 0.47 -1.50 -0.12 0.00 0.00 0.00 0.00 33.22 32.06 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 -1.32 0.08 -1.64 3.17 8.25 -1.26 -4.69 115.22 117.80 3kjr n HIS 348 Ca 0.09 0.02 -0.34 0.00 -0.26 0.00 0.00 57.72 57.23 3kjr n HIS 348 Cb 0.17 -0.37 0.06 0.00 1.12 0.00 0.00 29.99 30.97 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 -3.33 2.33 -0.32 -1.41 0.00 -1.19 -4.99 121.76 112.85 3kjr s ALA 349 Ca -0.02 0.69 -0.18 0.00 0.00 0.00 0.00 51.96 52.46 3kjr s ALA 349 Cb 0.14 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 3kjr s ALA 349 CO 0.88 -1.50 0.50 0.34 0.00 0.00 0.00 175.76 175.97 3kjr s ASP 350 N -2.33 6.33 -0.09 0.00 -1.08 -1.26 -4.94 116.67 113.30 3kjr s ASP 350 Ca 0.70 0.10 0.18 0.00 -0.52 0.00 0.00 52.55 53.01 3kjr s ASP 350 Cb -0.24 -2.26 0.65 0.00 -1.46 0.00 0.00 42.92 39.61 3kjr s ASP 350 CO 0.42 -0.41 1.56 -1.22 0.52 0.00 0.00 175.17 176.04 3kjr n TYR 351 N 5.66 1.26 -1.65 -5.34 4.01 -1.26 -5.00 117.16 114.83 3kjr n TYR 351 Ca -0.05 -0.61 -0.55 0.00 -0.16 0.00 0.00 57.90 56.53 3kjr n TYR 351 Cb 0.49 -0.19 -0.07 0.00 -0.31 0.00 0.00 39.34 39.26 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 1.00 0.15 -1.29 -0.72 -1.04 -1.26 -0.93 114.28 110.18 3kjr n THR 352 Ca 0.24 -0.03 -0.10 0.00 -2.04 0.00 0.00 64.05 62.12 3kjr n THR 352 Cb 0.80 -0.99 -0.04 0.00 -1.82 0.00 0.00 70.33 68.28 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 3.32 1.08 3.58 3.41 0.00 -1.26 -5.00 105.19 110.32 3kjr n GLY 353 Ca 0.22 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.67 2.53 0.78 1.61 1.02 -0.11 -5.03 119.74 117.87 3kjr s LYS 354 Ca 0.00 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.26 3kjr s LYS 354 Cb 0.00 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 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 1.65 -1.79 3.64 -3.33 0.00 -1.26 -4.51 105.19 99.60 3kjr n GLY 355 Ca -0.16 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.00 5.34 -1.23 -0.61 1.01 0.19 -4.74 121.20 120.16 3kjr s ILE 356 Ca 0.00 0.20 -0.18 0.00 0.00 0.00 0.00 60.65 60.67 3kjr s ILE 356 Cb 0.00 -3.52 0.08 0.00 0.01 0.00 0.00 42.46 39.03 3kjr s ILE 356 CO 0.00 0.31 1.63 -0.62 0.00 0.00 0.00 174.94 176.27 3kjr s ASP 357 N 1.24 6.80 0.33 3.58 -1.08 -1.21 -1.52 116.67 124.81 3kjr s ASP 357 Ca 0.08 -2.31 0.03 0.00 -0.52 0.00 0.00 52.55 49.83 3kjr s ASP 357 Cb -0.14 -2.55 0.62 0.00 -1.46 0.00 0.00 42.92 39.39 3kjr s ASP 357 CO 0.06 -1.18 1.94 1.56 0.52 0.00 0.00 175.17 178.07 3kjr h GLN 358 N 7.98 0.88 -0.27 4.34 4.20 -1.49 -1.17 115.11 129.59 3kjr h GLN 358 Ca 0.38 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.96 3kjr h GLN 358 Cb 0.90 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 3kjr h GLN 358 CO 1.42 0.58 -0.14 1.25 -0.67 0.00 0.00 178.83 181.27 3kjr h LEU 359 N 0.90 0.59 -0.42 1.46 5.85 -1.64 -1.33 115.31 120.71 3kjr h LEU 359 Ca 0.34 -0.41 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 3kjr h LEU 359 Cb 0.19 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3kjr h LEU 359 CO -0.12 0.87 0.00 0.00 -0.34 0.00 0.00 178.44 178.86 3kjr h ALA 360 N 0.73 0.57 -0.62 1.25 0.00 -1.75 -2.73 119.26 116.70 3kjr h ALA 360 Ca 0.06 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3kjr h ALA 360 Cb 0.66 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3kjr h ALA 360 CO 0.04 0.36 0.02 0.93 0.00 0.00 0.00 179.25 180.60 3kjr h GLU 361 N 0.59 1.09 -0.24 0.00 5.08 -1.21 -1.55 114.58 118.34 3kjr h GLU 361 Ca 0.12 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 3kjr h GLU 361 Cb 0.49 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3kjr h GLU 361 CO 0.02 1.04 -0.20 0.97 -1.00 0.00 0.00 179.01 179.85 3kjr h ILE 362 N 1.00 1.24 -0.15 3.13 2.10 -1.18 0.70 117.51 124.35 3kjr h ILE 362 Ca 0.18 -1.11 -0.05 0.00 1.08 0.00 0.00 64.86 64.96 3kjr h ILE 362 Cb 0.54 1.28 -0.00 0.00 -1.09 0.00 0.00 36.82 37.54 3kjr h ILE 362 CO 0.03 0.35 -0.10 0.40 -1.08 0.00 0.00 178.15 177.75 3kjr h ILE 363 N 0.38 1.33 -0.66 2.19 2.04 -1.21 -1.01 117.51 120.56 3kjr h ILE 363 Ca 0.06 -1.20 0.01 0.00 1.00 0.00 0.00 64.86 64.74 3kjr h ILE 363 Cb 0.56 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 3kjr h ILE 363 CO 0.04 0.35 0.43 -1.13 0.00 0.00 0.00 178.15 177.84 3kjr h ASN 364 N -0.02 0.73 -0.71 1.72 -0.73 -1.07 -2.00 115.58 113.51 3kjr h ASN 364 Ca 0.03 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.18 3kjr h ASN 364 Cb 0.60 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.98 3kjr h ASN 364 CO 0.03 0.52 0.41 0.03 -0.37 0.00 0.00 177.43 178.05 3kjr h ARG 365 N 0.87 0.97 -0.74 6.67 3.08 -0.76 -0.43 114.38 124.04 3kjr h ARG 365 Ca 0.25 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3kjr h ARG 365 Cb -0.06 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.75 3kjr h ARG 365 CO -0.07 0.71 0.48 0.82 -1.07 0.00 0.00 179.97 180.84 3kjr h ILE 366 N 0.97 1.20 -0.50 2.04 2.04 -0.83 0.49 117.51 122.91 3kjr h ILE 366 Ca 0.25 -0.37 -0.12 0.00 1.00 0.00 0.00 64.86 65.61 3kjr h ILE 366 Cb 0.00 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 3kjr h ILE 366 CO -0.04 0.19 -0.17 0.11 0.00 0.00 0.00 178.15 178.24 3kjr h LYS 367 N 1.01 1.00 0.06 2.37 1.57 -0.94 -3.08 116.57 118.56 3kjr h LYS 367 Ca 0.27 -0.40 -0.18 0.00 -1.87 0.00 0.00 60.65 58.47 3kjr h LYS 367 Cb -0.10 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.18 3kjr h LYS 367 CO -0.06 1.08 -0.73 1.15 -0.57 0.00 0.00 179.45 180.32 3kjr h THR 368 N 0.86 1.44 -1.68 -0.16 2.02 -0.79 -3.44 112.91 111.16 3kjr h THR 368 Ca 0.12 -2.27 -0.19 0.00 0.77 0.00 0.00 66.41 64.84 3kjr h THR 368 Cb 0.74 2.81 -0.28 0.00 -1.74 0.00 0.00 68.15 69.68 3kjr h THR 368 CO 0.06 0.66 -0.54 0.21 0.37 0.00 0.00 175.52 176.28 3kjr s ASN 369 N -6.89 0.34 0.36 4.18 2.47 0.17 -5.01 114.94 110.57 3kjr s ASN 369 Ca -0.13 -0.44 0.25 0.00 0.42 0.00 0.00 52.86 52.96 3kjr s ASN 369 Cb 0.03 1.12 1.30 0.00 -1.45 0.00 0.00 41.25 42.25 3kjr s ASN 369 CO 0.84 -0.34 1.78 1.55 -3.72 0.00 0.00 177.10 177.20 3kjr h PRO 370 N 8.08 0.00 -0.49 0.43 0.13 -1.68 -1.52 132.00 136.95 3kjr h PRO 370 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3kjr h PRO 370 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3kjr h PRO 370 CO 0.25 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.11 3kjr n ASN 371 N -2.40 5.08 -4.62 1.44 3.02 -1.26 -4.09 115.26 112.44 3kjr n ASN 371 Ca -0.01 -2.89 -0.38 0.00 -0.03 0.00 0.00 54.58 51.27 3kjr n ASN 371 Cb 0.09 -0.63 0.05 0.00 -0.61 0.00 0.00 39.78 38.68 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 0.35 0.90 -0.54 6.41 -0.08 -0.57 -4.91 116.55 118.11 3kjr n ASP 372 Ca 0.26 0.84 0.13 0.00 -1.51 0.00 0.00 54.79 54.51 3kjr n ASP 372 Cb 1.07 -1.39 0.46 0.00 2.34 0.00 0.00 41.12 43.60 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 -0.85 1.74 -0.59 -0.67 1.74 -1.26 -4.19 116.66 112.58 3kjr n ARG 373 Ca 0.13 -1.08 0.06 0.00 -0.77 0.00 0.00 57.85 56.18 3kjr n ARG 373 Cb 0.46 -1.47 0.21 0.00 -1.02 0.00 0.00 32.46 30.64 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 0.31 1.59 -1.46 5.56 1.74 -1.26 -4.90 116.66 118.25 3kjr n ARG 374 Ca 0.18 -3.27 -0.39 0.00 -0.77 0.00 0.00 57.85 53.60 3kjr n ARG 374 Cb 0.38 -1.63 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 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 -1.14 8.63 -4.16 0.55 4.77 -1.26 -4.83 117.00 119.56 3kjr n LEU 375 Ca 0.20 -4.48 -0.23 0.00 -0.03 0.00 0.00 56.01 51.47 3kjr n LEU 375 Cb 0.71 -1.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.14 3kjr n LEU 375 CO -0.02 2.08 -0.49 -0.63 -1.33 0.00 0.00 177.39 177.00 3kjr s ILE 376 N 1.45 1.28 -0.20 -0.08 1.01 -1.26 -0.80 121.20 122.59 3kjr s ILE 376 Ca 0.67 -0.87 -0.00 0.00 0.00 0.00 0.00 60.65 60.44 3kjr s ILE 376 Cb 0.18 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.57 3kjr s ILE 376 CO -0.07 0.21 -0.14 -0.69 0.00 0.00 0.00 174.94 174.25 3kjr s VAL 377 N -0.60 2.44 -0.18 2.92 1.01 -0.32 -4.93 120.40 120.73 3kjr s VAL 377 Ca 0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3kjr s VAL 377 Cb -0.07 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3kjr s VAL 377 CO 0.00 0.42 -0.07 0.00 0.00 0.00 0.00 175.10 175.45 3kjr n SER 379 N 4.23 2.10 -4.51 0.00 7.64 0.50 -4.73 113.62 118.86 3kjr n SER 379 Ca -0.18 -1.55 -0.43 0.00 1.01 0.00 0.00 58.87 57.71 3kjr n SER 379 Cb 0.52 0.33 -0.01 0.00 -1.01 0.00 0.00 64.21 64.04 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 -2.06 3.09 -0.64 1.43 -0.11 -1.06 -4.73 118.94 114.86 3kjr s TRP 380 Ca 0.18 -1.68 -0.21 0.00 1.22 0.00 0.00 56.10 55.61 3kjr s TRP 380 Cb 0.16 -4.49 0.09 0.00 -1.50 0.00 0.00 33.47 27.73 3kjr s TRP 380 CO 0.42 -1.61 0.85 1.21 -4.62 0.00 0.00 176.95 173.21 3kjr s ASN 381 N 3.67 6.20 0.36 5.86 3.84 -1.26 -4.91 114.94 128.69 3kjr s ASN 381 Ca 0.45 -1.25 0.08 0.00 0.21 0.00 0.00 52.86 52.34 3kjr s ASN 381 Cb -0.01 -2.36 0.78 0.00 -0.55 0.00 0.00 41.25 39.11 3kjr s ASN 381 CO -0.01 -1.27 1.90 0.58 -2.79 0.00 0.00 177.10 175.51 3kjr h VAL 382 N 5.94 0.90 0.00 -5.21 2.07 -2.01 0.71 116.25 118.65 3kjr h VAL 382 Ca -0.27 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 3kjr h VAL 382 Cb 1.08 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3kjr h VAL 382 CO 1.14 0.13 -0.11 0.28 0.02 0.00 0.00 177.57 179.04 3kjr h SER 383 N 0.72 0.00 0.19 0.57 0.02 -2.02 -2.98 113.55 110.06 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 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3kjr h SER 383 CO -0.17 0.11 -0.43 0.47 -1.14 0.00 0.00 176.83 175.67 3kjr n ASP 384 N -3.26 1.19 -0.36 3.07 8.00 0.22 -4.38 116.55 121.03 3kjr n ASP 384 Ca 0.00 -0.95 0.03 0.00 0.71 0.00 0.00 54.79 54.58 3kjr n ASP 384 Cb 0.36 0.33 0.18 0.00 -0.02 0.00 0.00 41.12 41.96 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 1.19 0.99 0.00 0.64 3.38 -1.33 -0.28 115.31 119.90 3kjr h LEU 385 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3kjr h LEU 385 Cb 0.57 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3kjr h LEU 385 CO 0.00 0.62 0.00 2.29 0.09 0.00 0.00 178.44 181.44 3kjr n LYS 386 N -4.54 0.01 -0.06 1.13 2.85 -1.26 -2.30 118.16 113.99 3kjr n LYS 386 Ca 0.15 0.31 0.11 0.00 -1.05 0.00 0.00 58.31 57.83 3kjr n LYS 386 Cb 0.21 -1.50 0.12 0.00 -0.65 0.00 0.00 35.03 33.21 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 -1.49 2.13 -4.94 -1.58 5.02 -0.12 -4.94 118.16 112.25 3kjr n LYS 387 Ca 0.03 -1.92 -0.33 0.00 -2.02 0.00 0.00 58.31 54.07 3kjr n LYS 387 Cb 0.12 -1.43 -0.14 0.00 -0.02 0.00 0.00 35.03 33.56 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 -1.68 2.84 0.07 1.97 -1.94 -0.97 -4.45 119.30 115.14 3kjr s MET 388 Ca 0.29 -0.74 -0.09 0.00 -1.71 0.00 0.00 55.69 53.44 3kjr s MET 388 Cb 0.19 -2.42 -0.27 0.00 2.01 0.00 0.00 34.83 34.34 3kjr s MET 388 CO 0.28 0.42 1.13 0.00 -0.01 0.00 0.00 175.02 176.84 3kjr h ALA 389 N 6.00 0.06 -3.28 3.03 0.00 -1.86 -3.43 119.26 119.79 3kjr h ALA 389 Ca -0.35 -0.83 -0.53 0.00 0.00 0.00 0.00 54.91 53.19 3kjr h ALA 389 Cb 1.18 0.06 -0.38 0.00 0.00 0.00 0.00 17.79 18.65 3kjr h ALA 389 CO 0.51 0.84 -0.79 -1.17 0.00 0.00 0.00 179.25 178.64 3kjr s LEU 390 N -7.46 1.38 0.59 0.00 2.96 -1.26 -5.01 118.68 109.89 3kjr s LEU 390 Ca -0.06 -0.53 -0.16 0.00 -0.22 0.00 0.00 54.13 53.16 3kjr s LEU 390 Cb 0.06 -0.83 -0.04 0.00 0.50 0.00 0.00 46.19 45.89 3kjr s LEU 390 CO 0.90 -0.18 1.06 -2.84 -1.32 0.00 0.00 176.35 173.98 3kjr s PRO 391 N 1.70 3.29 0.24 0.98 0.02 -1.26 -4.96 135.00 135.01 3kjr s PRO 391 Ca 0.02 1.23 -0.31 0.00 0.02 0.00 0.00 61.00 61.96 3kjr s PRO 391 Cb -0.14 -2.03 -0.14 0.00 0.02 0.00 0.00 34.50 32.21 3kjr s PRO 391 CO -0.08 -0.83 1.35 -2.30 -0.33 0.00 0.00 177.00 174.81 3kjr n PRO 392 N -2.02 1.90 -0.10 5.54 -0.02 -1.26 -4.95 135.00 134.09 3kjr n PRO 392 Ca 0.09 0.68 -0.21 0.00 -2.02 0.00 0.00 63.50 62.04 3kjr n PRO 392 Cb 0.53 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 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 -2.37 2.73 -1.91 0.00 0.00 -1.26 -1.12 115.29 111.36 3kjr s HIS 394 Ca -0.28 -1.10 0.19 0.00 -3.00 0.00 0.00 55.06 50.87 3kjr s HIS 394 Cb 0.06 -4.59 0.05 0.00 -4.00 0.00 0.00 32.58 24.09 3kjr s HIS 394 CO 0.55 -1.80 0.99 0.00 -1.00 0.00 0.00 174.74 173.48 3kjr s PHE 396 N -1.93 -1.07 0.06 0.00 2.19 -1.24 -0.37 117.98 115.62 3kjr s PHE 396 Ca 0.18 2.12 -0.04 0.00 0.33 0.00 0.00 56.93 59.52 3kjr s PHE 396 Cb 0.15 0.64 -0.03 0.00 -1.31 0.00 0.00 43.02 42.47 3kjr s PHE 396 CO 0.39 -0.53 0.04 -0.59 1.83 0.00 0.00 175.22 176.36 3kjr s PHE 397 N 1.73 0.37 -0.02 10.12 -0.71 -0.61 -0.59 117.98 128.27 3kjr s PHE 397 Ca -0.10 -0.84 0.01 0.00 -1.04 0.00 0.00 56.93 54.97 3kjr s PHE 397 Cb -0.06 -0.26 0.01 0.00 -1.21 0.00 0.00 43.02 41.50 3kjr s PHE 397 CO -0.20 -0.41 -0.04 -1.14 -1.34 0.00 0.00 175.22 172.09 3kjr s GLN 398 N -3.60 0.45 0.18 1.99 0.74 0.43 -1.18 119.66 118.68 3kjr s GLN 398 Ca 0.04 -0.12 0.04 0.00 0.05 0.00 0.00 55.36 55.36 3kjr s GLN 398 Cb 0.05 -0.48 -0.03 0.00 1.10 0.00 0.00 33.01 33.65 3kjr s GLN 398 CO -0.09 0.03 0.29 -0.06 -0.55 0.00 0.00 175.29 174.91 3kjr s PHE 399 N 0.26 3.43 -0.15 1.67 0.08 0.02 -0.77 117.98 122.53 3kjr s PHE 399 Ca -0.03 0.05 -0.13 0.00 0.12 0.00 0.00 56.93 56.95 3kjr s PHE 399 Cb -0.06 -1.61 0.04 0.00 -0.57 0.00 0.00 43.02 40.82 3kjr s PHE 399 CO -0.00 0.49 0.39 -0.47 -0.10 0.00 0.00 175.22 175.53 3kjr s TYR 400 N -1.83 -0.45 -0.11 0.36 5.04 -0.47 -4.76 117.35 115.13 3kjr s TYR 400 Ca 0.34 1.07 0.02 0.00 -2.44 0.00 0.00 57.07 56.06 3kjr s TYR 400 Cb -0.10 0.16 -0.01 0.00 0.35 0.00 0.00 41.96 42.36 3kjr s TYR 400 CO 0.28 -0.22 -0.17 0.08 -1.34 0.00 0.00 175.55 174.18 3kjr s VAL 401 N 0.39 2.71 -0.04 3.14 1.01 -1.26 -0.33 120.40 126.02 3kjr s VAL 401 Ca -0.02 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 3kjr s VAL 401 Cb -0.04 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.25 3kjr s VAL 401 CO -0.01 0.54 0.17 -0.94 0.00 0.00 0.00 175.10 174.86 3kjr s SER 402 N 0.24 -0.11 -1.45 3.32 1.04 -0.82 -4.90 113.70 111.02 3kjr s SER 402 Ca -0.11 0.14 -0.07 0.00 0.48 0.00 0.00 55.95 56.38 3kjr s SER 402 Cb -0.16 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.32 3kjr s SER 402 CO 0.06 -0.20 0.78 -0.67 0.98 0.00 0.00 173.24 174.20 3kjr n ASP 403 N 2.33 -2.71 -1.79 7.02 2.03 -1.26 -1.31 116.55 120.86 3kjr n ASP 403 Ca -0.17 -0.85 -0.19 0.00 0.52 0.00 0.00 54.79 54.10 3kjr n ASP 403 Cb 0.57 -3.70 -0.06 0.00 -0.72 0.00 0.00 41.12 37.21 3kjr n ASP 403 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3kjr n ASN 404 N -2.92 -5.08 -4.25 1.67 5.15 -1.26 -4.94 115.26 103.64 3kjr n ASN 404 Ca -0.13 0.34 -0.31 0.00 -0.60 0.00 0.00 54.58 53.89 3kjr n ASN 404 Cb 0.60 -4.45 -0.16 0.00 -0.53 0.00 0.00 39.78 35.24 3kjr n ASN 404 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3kjr s LYS 405 N -4.01 2.43 -0.14 1.20 1.02 -0.43 -0.92 119.74 118.90 3kjr s LYS 405 Ca 0.00 -0.87 -0.17 0.00 0.02 0.00 0.00 55.97 54.95 3kjr s LYS 405 Cb 0.00 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 3kjr s LYS 405 CO 0.00 0.37 0.44 -1.17 -0.92 0.00 0.00 175.35 174.07 3kjr s LEU 406 N -0.15 4.25 0.34 3.17 2.96 -0.53 -1.95 118.68 126.77 3kjr s LEU 406 Ca -0.03 0.72 0.09 0.00 -0.22 0.00 0.00 54.13 54.69 3kjr s LEU 406 Cb -0.13 -2.62 -0.06 0.00 0.50 0.00 0.00 46.19 43.88 3kjr s LEU 406 CO 0.03 -0.00 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.59 3kjr s SER 407 N 0.67 3.98 -0.06 3.68 0.01 0.54 -0.39 113.70 122.13 3kjr s SER 407 Ca 0.23 -1.08 -0.05 0.00 1.31 0.00 0.00 55.95 56.37 3kjr s SER 407 Cb -0.15 -0.45 0.02 0.00 0.21 0.00 0.00 66.02 65.66 3kjr s SER 407 CO 0.09 -0.22 0.16 0.00 0.41 0.00 0.00 173.24 173.68 3kjr s MET 409 N 0.46 2.31 -0.02 0.00 -2.45 0.05 -0.19 119.30 119.46 3kjr s MET 409 Ca -0.03 -0.68 0.06 0.00 -1.25 0.00 0.00 55.69 53.79 3kjr s MET 409 Cb -0.05 -1.85 -0.01 0.00 1.25 0.00 0.00 34.83 34.17 3kjr s MET 409 CO -0.02 0.17 -0.21 1.41 1.05 0.00 0.00 175.02 177.43 3kjr s MET 410 N 0.31 1.74 -0.34 4.11 1.75 -0.51 -0.43 119.30 125.93 3kjr s MET 410 Ca -0.13 -0.73 -0.13 0.00 -1.25 0.00 0.00 55.69 53.45 3kjr s MET 410 Cb -0.15 -1.65 -0.02 0.00 2.84 0.00 0.00 34.83 35.85 3kjr s MET 410 CO 0.05 0.42 0.27 -1.58 -0.65 0.00 0.00 175.02 173.53 3kjr s HIS 411 N -0.40 3.23 -0.34 4.11 2.46 0.24 -0.73 115.29 123.85 3kjr s HIS 411 Ca 0.06 -0.17 -0.08 0.00 0.47 0.00 0.00 55.06 55.34 3kjr s HIS 411 Cb -0.09 -2.52 0.03 0.00 -0.13 0.00 0.00 32.58 29.88 3kjr s HIS 411 CO -0.00 -0.37 0.13 -1.14 -2.47 0.00 0.00 174.74 170.89 3kjr s GLN 412 N 1.78 2.73 0.31 2.88 0.74 -0.22 -2.26 119.66 125.63 3kjr s GLN 412 Ca 0.07 -1.11 0.04 0.00 0.05 0.00 0.00 55.36 54.41 3kjr s GLN 412 Cb -0.17 -3.53 0.51 0.00 1.10 0.00 0.00 33.01 30.92 3kjr s GLN 412 CO 0.11 -0.65 1.78 0.07 -0.55 0.00 0.00 175.29 176.05 3kjr h ARG 413 N 8.29 0.42 -3.25 1.67 0.11 -1.43 -1.02 114.38 119.17 3kjr h ARG 413 Ca -0.25 -0.14 -0.31 0.00 0.10 0.00 0.00 59.98 59.39 3kjr h ARG 413 Cb 1.09 -0.04 -0.36 0.00 1.11 0.00 0.00 29.97 31.78 3kjr h ARG 413 CO 0.62 0.61 -0.67 0.45 0.10 0.00 0.00 179.97 181.08 3kjr s SER 414 N -6.81 0.57 -0.28 0.08 0.15 -1.26 -2.30 113.70 103.84 3kjr s SER 414 Ca -0.06 0.21 -0.00 0.00 0.70 0.00 0.00 55.95 56.79 3kjr s SER 414 Cb 0.14 0.09 0.09 0.00 -1.71 0.00 0.00 66.02 64.63 3kjr s SER 414 CO 0.77 -0.21 0.05 0.00 1.20 0.00 0.00 173.24 175.06 3kjr s ASP 416 N 1.51 5.57 0.23 0.00 -1.08 -1.26 -1.12 116.67 120.52 3kjr s ASP 416 Ca 0.06 -0.02 -0.04 0.00 -0.52 0.00 0.00 52.55 52.02 3kjr s ASP 416 Cb -0.18 -2.54 0.23 0.00 -1.46 0.00 0.00 42.92 38.98 3kjr s ASP 416 CO -0.17 -2.21 1.68 -0.07 0.52 0.00 0.00 175.17 174.92 3kjr h LEU 417 N 15.37 0.79 0.28 -1.34 3.38 -1.24 0.20 115.31 132.75 3kjr h LEU 417 Ca -0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 3kjr h LEU 417 Cb 1.11 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3kjr h LEU 417 CO 1.24 0.93 -0.13 1.23 0.09 0.00 0.00 178.44 181.80 3kjr h GLY 418 N 0.97 -0.39 0.00 0.83 0.00 -1.89 -3.37 103.07 99.21 3kjr h GLY 418 Ca 0.12 0.15 -0.38 0.00 0.00 0.00 0.00 47.33 47.21 3kjr h GLY 418 CO 0.04 -0.14 -2.44 1.04 0.00 0.00 0.00 176.54 175.04 3kjr n LEU 419 N -5.11 2.67 -0.03 3.11 4.77 -1.22 -4.71 117.00 116.48 3kjr n LEU 419 Ca -0.09 -0.12 -0.21 0.00 -0.03 0.00 0.00 56.01 55.56 3kjr n LEU 419 Cb 0.26 -0.75 -0.13 0.00 -2.33 0.00 0.00 43.42 40.47 3kjr n LEU 419 CO 0.31 0.88 -0.38 1.23 -1.33 0.00 0.00 177.39 178.10 3kjr h GLY 420 N 2.16 0.19 0.87 -0.72 0.00 -0.90 -3.39 103.07 101.29 3kjr h GLY 420 Ca -0.56 -0.48 0.04 0.00 0.00 0.00 0.00 47.33 46.33 3kjr h GLY 420 CO -0.08 0.42 0.64 -2.08 0.00 0.00 0.00 176.54 175.45 3kjr h VAL 421 N -0.51 1.14 -0.65 4.60 2.07 -1.35 -1.42 116.25 120.13 3kjr h VAL 421 Ca -0.29 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 66.83 3kjr h VAL 421 Cb 1.59 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3kjr h VAL 421 CO -0.01 0.22 0.43 -0.65 0.02 0.00 0.00 177.57 177.58 3kjr h PRO 422 N 1.21 0.83 -0.19 1.57 0.11 -1.78 -1.01 132.00 132.73 3kjr h PRO 422 Ca 0.40 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.44 3kjr h PRO 422 Cb 0.05 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 3kjr h PRO 422 CO -0.13 0.55 0.04 0.74 -0.21 0.00 0.00 178.00 178.98 3kjr h PHE 423 N 0.86 0.33 -0.54 0.65 -1.00 -1.48 -2.99 116.94 112.76 3kjr h PHE 423 Ca 0.24 -0.04 0.02 0.00 2.81 0.00 0.00 57.97 61.00 3kjr h PHE 423 Cb -0.07 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.36 3kjr h PHE 423 CO -0.00 0.45 0.34 -0.91 -1.61 0.00 0.00 178.31 176.58 3kjr h ASN 424 N 0.11 0.56 0.03 2.17 4.21 -0.69 0.12 115.58 122.08 3kjr h ASN 424 Ca 0.06 -0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.59 3kjr h ASN 424 Cb 0.30 -0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 37.34 3kjr h ASN 424 CO 0.00 0.39 -0.21 0.40 -1.29 0.00 0.00 177.43 176.73 3kjr h ILE 425 N 0.67 0.52 -0.41 2.81 2.04 -1.25 -1.76 117.51 120.13 3kjr h ILE 425 Ca 0.21 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.04 3kjr h ILE 425 Cb -0.01 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3kjr h ILE 425 CO -0.08 0.00 0.13 0.00 0.00 0.00 0.00 178.15 178.20 3kjr h ALA 426 N 0.52 0.53 0.16 1.87 0.00 -1.36 -2.46 119.26 118.52 3kjr h ALA 426 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3kjr h ALA 426 Cb 0.41 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kjr h ALA 426 CO -0.17 0.18 -0.09 1.03 0.00 0.00 0.00 179.25 180.20 3kjr h SER 427 N 0.52 -0.21 -0.00 0.00 0.87 -0.57 -0.56 113.55 113.59 3kjr h SER 427 Ca 0.13 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.62 3kjr h SER 427 Cb 0.25 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3kjr h SER 427 CO -0.00 -0.15 -0.23 1.88 -0.53 0.00 0.00 176.83 177.80 3kjr h TYR 428 N -0.23 0.44 -0.74 2.24 -1.99 -1.39 -1.02 116.97 114.27 3kjr h TYR 428 Ca -0.02 -0.08 -0.06 0.00 2.00 0.00 0.00 58.73 60.57 3kjr h TYR 428 Cb 0.19 -0.11 -0.03 0.00 2.00 0.00 0.00 36.73 38.78 3kjr h TYR 428 CO -0.08 0.60 0.22 0.77 -0.00 0.00 0.00 178.16 179.68 3kjr h SER 429 N 0.35 1.09 -0.20 3.88 0.02 -1.09 0.11 113.55 117.72 3kjr h SER 429 Ca 0.06 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3kjr h SER 429 Cb 0.60 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3kjr h SER 429 CO 0.04 1.02 0.06 0.40 -1.14 0.00 0.00 176.83 177.21 3kjr h ILE 430 N 1.11 1.19 -0.69 3.27 2.04 -0.76 -2.09 117.51 121.58 3kjr h ILE 430 Ca 0.24 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.52 3kjr h ILE 430 Cb 0.32 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 3kjr h ILE 430 CO -0.01 0.19 0.43 0.25 0.00 0.00 0.00 178.15 179.02 3kjr h LEU 431 N 0.15 0.70 -0.43 1.44 5.85 -1.00 -0.08 115.31 121.95 3kjr h LEU 431 Ca 0.06 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3kjr h LEU 431 Cb 0.24 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3kjr h LEU 431 CO -0.00 0.48 0.22 0.74 -0.34 0.00 0.00 178.44 179.54 3kjr h THR 432 N 0.84 1.17 -0.88 1.05 2.02 -0.93 -0.71 112.91 115.47 3kjr h THR 432 Ca 0.28 -0.46 0.04 0.00 0.77 0.00 0.00 66.41 67.04 3kjr h THR 432 Cb 0.04 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 3kjr h THR 432 CO -0.11 0.18 0.56 0.00 0.37 0.00 0.00 175.52 176.52 3kjr h ALA 433 N 1.07 1.17 -0.04 6.16 0.00 -0.81 0.70 119.26 127.52 3kjr h ALA 433 Ca 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kjr h ALA 433 Cb 0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3kjr h ALA 433 CO -0.02 0.39 0.01 0.52 0.00 0.00 0.00 179.25 180.15 3kjr h MET 434 N 1.08 0.06 -0.45 0.00 2.07 -0.70 0.26 114.93 117.25 3kjr h MET 434 Ca 0.36 -0.01 -0.02 0.00 -2.07 0.00 0.00 59.70 57.96 3kjr h MET 434 Cb 0.05 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 29.75 3kjr h MET 434 CO -0.13 0.22 0.20 0.28 1.07 0.00 0.00 176.91 178.55 3kjr h VAL 435 N -0.12 1.19 -0.38 -2.22 2.07 -0.99 -0.92 116.25 114.88 3kjr h VAL 435 Ca 0.01 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 67.00 3kjr h VAL 435 Cb 0.19 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3kjr h VAL 435 CO -0.00 0.22 0.16 0.00 0.02 0.00 0.00 177.57 177.97 3kjr h ALA 436 N 1.04 0.46 -0.27 1.67 0.00 -0.79 -1.17 119.26 120.20 3kjr h ALA 436 Ca 0.15 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3kjr h ALA 436 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3kjr h ALA 436 CO -0.02 -0.22 0.13 0.37 0.00 0.00 0.00 179.25 179.52 3kjr h GLN 437 N 0.34 0.27 0.00 0.00 4.15 -0.60 0.13 115.11 119.40 3kjr h GLN 437 Ca 0.17 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 3kjr h GLN 437 Cb 0.12 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 3kjr h GLN 437 CO -0.15 0.18 -0.09 -0.39 -1.93 0.00 0.00 178.83 176.45 3kjr h VAL 438 N 0.28 0.27 -0.18 2.39 -1.51 -0.87 -2.35 116.25 114.27 3kjr h VAL 438 Ca 0.11 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 3kjr h VAL 438 Cb 0.03 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3kjr h VAL 438 CO -0.07 0.09 0.00 0.00 -1.23 0.00 0.00 177.57 176.36 3kjr n GLY 440 N 1.32 -0.14 3.70 0.00 0.00 -0.65 -4.92 105.19 104.50 3kjr n GLY 440 Ca 0.17 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.80 3.42 0.00 0.99 1.43 0.38 -5.03 118.68 116.07 3kjr s LEU 441 Ca 0.04 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.65 3kjr s LEU 441 Cb -0.02 -2.00 0.11 0.00 0.03 0.00 0.00 46.19 44.31 3kjr s LEU 441 CO 0.05 0.04 0.66 0.61 0.23 0.00 0.00 176.35 177.93 3kjr n GLY 442 N -0.59 -1.03 3.54 -3.19 0.00 -0.10 -4.27 105.19 99.55 3kjr n GLY 442 Ca -0.08 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 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 3.22 0.00 0.99 1.43 -1.26 -1.45 118.68 121.60 3kjr s LEU 443 Ca 0.38 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3kjr s LEU 443 Cb -0.01 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3kjr s LEU 443 CO 0.26 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.71 3kjr n GLY 444 N 2.93 0.60 3.32 -3.19 0.00 0.47 -4.11 105.19 105.20 3kjr n GLY 444 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 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 3.12 1.28 -0.24 1.61 2.02 -1.25 -0.66 118.70 124.57 3kjr s GLU 445 Ca 0.00 -1.19 -0.11 0.00 0.02 0.00 0.00 54.97 53.69 3kjr s GLU 445 Cb 0.00 -1.60 -0.05 0.00 0.10 0.00 0.00 34.13 32.58 3kjr s GLU 445 CO 0.00 0.38 0.16 0.12 0.02 0.00 0.00 175.26 175.94 3kjr s PHE 446 N -1.06 3.31 -0.23 1.61 5.36 -0.20 -1.36 117.98 125.41 3kjr s PHE 446 Ca 0.09 0.21 -0.04 0.00 -0.96 0.00 0.00 56.93 56.24 3kjr s PHE 446 Cb -0.10 -2.28 -0.00 0.00 -0.34 0.00 0.00 43.02 40.30 3kjr s PHE 446 CO 0.04 0.04 -0.04 0.08 -1.46 0.00 0.00 175.22 173.88 3kjr s VAL 447 N 1.13 3.33 -0.25 3.12 1.01 0.73 -0.91 120.40 128.55 3kjr s VAL 447 Ca 0.07 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 3kjr s VAL 447 Cb -0.14 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.71 3kjr s VAL 447 CO 0.05 0.39 -0.02 -2.28 0.00 0.00 0.00 175.10 173.24 3kjr s HIS 448 N 1.46 3.06 -0.26 5.22 2.46 0.88 -1.43 115.29 126.68 3kjr s HIS 448 Ca 0.05 -1.22 -0.10 0.00 0.47 0.00 0.00 55.06 54.26 3kjr s HIS 448 Cb -0.15 -2.13 -0.05 0.00 -0.13 0.00 0.00 32.58 30.13 3kjr s HIS 448 CO -0.03 -0.64 0.17 -0.80 -2.47 0.00 0.00 174.74 170.97 3kjr s ASN 449 N 1.42 5.98 -0.17 9.88 0.01 0.09 -0.76 114.94 131.39 3kjr s ASN 449 Ca 0.02 0.03 -0.06 0.00 -0.71 0.00 0.00 52.86 52.14 3kjr s ASN 449 Cb -0.16 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 3kjr s ASN 449 CO -0.02 0.01 0.03 -0.76 -1.51 0.00 0.00 177.10 174.84 3kjr s LEU 450 N 1.42 3.64 0.00 0.60 1.43 -0.08 -1.06 118.68 124.64 3kjr s LEU 450 Ca 0.07 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 3kjr s LEU 450 Cb -0.15 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3kjr s LEU 450 CO 0.08 0.17 0.00 0.00 0.23 0.00 0.00 176.35 176.83 3kjr n ALA 451 N 3.54 0.00 -2.39 4.21 0.00 -0.39 -1.27 120.51 124.21 3kjr n ALA 451 Ca -0.17 0.00 -0.40 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 5.90 -0.23 0.00 3.68 -0.97 -1.25 116.67 122.80 3kjr s ASP 452 Ca 0.00 -0.31 -0.09 0.00 2.13 0.00 0.00 52.55 54.27 3kjr s ASP 452 Cb 0.00 -2.55 -0.05 0.00 -1.45 0.00 0.00 42.92 38.87 3kjr s ASP 452 CO 0.00 -2.00 0.13 0.00 0.13 0.00 0.00 175.17 173.43 3kjr s ALA 453 N 6.76 3.50 0.03 3.66 0.00 -0.67 -0.65 121.76 134.40 3kjr s ALA 453 Ca 0.46 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 3kjr s ALA 453 Cb -0.09 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 3kjr s ALA 453 CO 0.14 -0.16 0.08 -3.38 0.00 0.00 0.00 175.76 172.45 3kjr s HIS 454 N 0.99 0.19 -0.24 0.00 -0.00 -0.28 -1.29 115.29 114.68 3kjr s HIS 454 Ca 0.06 -0.47 0.00 0.00 -0.00 0.00 0.00 55.06 54.66 3kjr s HIS 454 Cb -0.14 -0.14 0.04 0.00 -0.00 0.00 0.00 32.58 32.34 3kjr s HIS 454 CO 0.04 -0.33 -0.10 0.42 -0.00 0.00 0.00 174.74 174.76 3kjr s ILE 455 N -2.33 2.48 0.42 -5.38 1.01 -0.16 -0.60 121.20 116.63 3kjr s ILE 455 Ca -0.07 -1.22 -0.25 0.00 0.00 0.00 0.00 60.65 59.10 3kjr s ILE 455 Cb -0.03 -2.29 -0.10 0.00 0.01 0.00 0.00 42.46 40.05 3kjr s ILE 455 CO -0.03 0.18 1.17 -1.22 0.00 0.00 0.00 174.94 175.04 3kjr n TYR 456 N 4.58 1.77 -0.36 3.97 4.01 -1.26 -1.06 117.16 128.81 3kjr n TYR 456 Ca -0.16 0.53 0.07 0.00 -0.16 0.00 0.00 57.90 58.17 3kjr n TYR 456 Cb 0.46 -2.32 0.24 0.00 -0.31 0.00 0.00 39.34 37.40 3kjr n TYR 456 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3kjr h VAL 457 N 1.89 0.94 0.00 -0.72 2.07 -1.57 -0.40 116.25 118.46 3kjr h VAL 457 Ca -0.46 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3kjr h VAL 457 Cb 1.31 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3kjr h VAL 457 CO 0.59 0.19 0.00 -0.90 0.02 0.00 0.00 177.57 177.46 3kjr n ASP 458 N -4.59 0.00 -0.50 0.57 3.85 -1.26 -2.28 116.55 112.33 3kjr n ASP 458 Ca 0.18 -1.34 0.08 0.00 -0.71 0.00 0.00 54.79 53.01 3kjr n ASP 458 Cb 0.33 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 40.13 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 -0.78 0.00 0.01 2.11 8.25 -0.17 -4.74 115.22 119.90 3kjr n HIS 459 Ca 0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.48 3kjr n HIS 459 Cb 0.06 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 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 2.45 0.90 -0.59 1.59 2.07 -1.40 0.18 116.25 121.45 3kjr h VAL 460 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3kjr h VAL 460 Cb 0.62 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3kjr h VAL 460 CO 0.00 0.00 0.32 -0.78 0.02 0.00 0.00 177.57 177.13 3kjr h ASP 461 N -0.02 0.74 -0.41 0.57 3.58 -1.85 -0.11 116.42 118.91 3kjr h ASP 461 Ca 0.04 -0.10 0.04 0.00 0.42 0.00 0.00 57.03 57.44 3kjr h ASP 461 Cb 0.08 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 40.90 3kjr h ASP 461 CO -0.09 0.62 0.17 0.00 -2.88 0.00 0.00 179.24 177.07 3kjr h ALA 462 N 1.14 0.50 0.00 -0.78 0.00 -1.80 -1.19 119.26 117.15 3kjr h ALA 462 Ca 0.21 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 3kjr h ALA 462 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kjr h ALA 462 CO -0.03 -0.20 -0.56 -0.39 0.00 0.00 0.00 179.25 178.07 3kjr h VAL 463 N 0.36 1.14 -0.26 0.00 -1.51 -0.76 -1.24 116.25 113.98 3kjr h VAL 463 Ca 0.19 -2.10 0.00 0.00 -1.23 0.00 0.00 66.70 63.56 3kjr h VAL 463 Cb 0.14 2.22 -0.01 0.00 -2.13 0.00 0.00 31.29 31.50 3kjr h VAL 463 CO -0.16 0.54 0.17 0.74 -1.23 0.00 0.00 177.57 177.63 3kjr h THR 464 N 0.00 1.06 -0.52 7.19 2.02 -0.66 -1.26 112.91 120.74 3kjr h THR 464 Ca -0.01 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.11 3kjr h THR 464 Cb 1.18 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 3kjr h THR 464 CO 0.07 0.06 0.26 0.74 0.37 0.00 0.00 175.52 177.02 3kjr h THR 465 N 0.35 0.94 -0.36 3.16 2.02 -1.05 -3.15 112.91 114.81 3kjr h THR 465 Ca 0.10 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.11 3kjr h THR 465 Cb -0.03 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3kjr h THR 465 CO -0.03 0.09 0.23 -0.61 0.37 0.00 0.00 175.52 175.58 3kjr h GLN 466 N 0.50 0.47 0.00 6.66 4.15 -0.74 -3.06 115.11 123.09 3kjr h GLN 466 Ca 0.24 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.63 3kjr h GLN 466 Cb 0.16 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3kjr h GLN 466 CO -0.17 0.31 0.00 -0.84 -1.93 0.00 0.00 178.83 176.19 3kjr h ILE 467 N 0.48 0.00 0.00 2.39 3.07 -1.20 -1.75 117.51 120.50 3kjr h ILE 467 Ca 0.13 -0.38 0.00 0.00 1.55 0.00 0.00 64.86 66.16 3kjr h ILE 467 Cb -0.05 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 37.75 3kjr h ILE 467 CO -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.07 3kjr n ALA 468 N -1.91 2.21 -2.48 0.16 0.00 -1.15 -0.70 120.51 116.64 3kjr n ALA 468 Ca 0.02 -0.10 -0.39 0.00 0.00 0.00 0.00 53.44 52.97 3kjr n ALA 468 Cb 0.28 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.93 4.39 -0.17 0.00 0.52 -0.66 -4.69 118.95 115.42 3kjr s ARG 469 Ca 0.15 0.86 -0.29 0.00 -0.52 0.00 0.00 55.73 55.92 3kjr s ARG 469 Cb 0.17 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 3kjr s ARG 469 CO 0.46 0.31 1.19 0.42 0.02 0.00 0.00 175.30 177.70 3kjr s ILE 470 N -0.05 4.39 0.46 1.52 -1.09 -1.26 -4.84 121.20 120.33 3kjr s ILE 470 Ca 0.34 1.68 -0.25 0.00 -2.23 0.00 0.00 60.65 60.19 3kjr s ILE 470 Cb -0.19 -4.09 -0.08 0.00 -1.58 0.00 0.00 42.46 36.53 3kjr s ILE 470 CO 0.19 -0.13 1.44 -2.84 -1.23 0.00 0.00 174.94 172.37 3kjr s PRO 471 N 3.25 3.62 0.60 2.79 0.02 -1.26 -4.89 135.00 139.12 3kjr s PRO 471 Ca 0.52 2.44 -0.08 0.00 0.02 0.00 0.00 61.00 63.90 3kjr s PRO 471 Cb -0.20 -2.62 -0.01 0.00 0.02 0.00 0.00 34.50 31.68 3kjr s PRO 471 CO 0.13 -0.88 0.95 -1.01 -0.33 0.00 0.00 177.00 175.86 3kjr s HIS 472 N -1.20 3.45 0.34 6.54 3.76 -1.26 -5.03 115.29 121.89 3kjr s HIS 472 Ca 0.62 0.95 -0.28 0.00 -0.15 0.00 0.00 55.06 56.20 3kjr s HIS 472 Cb -0.44 -2.69 -0.12 0.00 1.11 0.00 0.00 32.58 30.43 3kjr s HIS 472 CO 0.57 -0.73 1.23 -2.30 -0.85 0.00 0.00 174.74 172.66 3kjr n PRO 473 N -2.64 1.95 -1.38 8.40 -0.02 -1.26 -4.85 135.00 135.20 3kjr n PRO 473 Ca 0.04 0.68 -0.36 0.00 -2.02 0.00 0.00 63.50 61.85 3kjr n PRO 473 Cb 0.56 -2.23 0.08 0.00 -0.02 0.00 0.00 33.50 31.89 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 0.25 0.56 -0.62 6.00 3.72 -1.26 -4.65 117.46 121.46 3kjr n PHE 474 Ca 0.06 0.39 0.00 0.00 -0.05 0.00 0.00 57.45 57.85 3kjr n PHE 474 Cb 0.36 -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 -1.68 0.08 -4.08 -1.08 -0.04 -1.24 -4.71 135.00 122.25 3kjr n PRO 475 Ca 0.13 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 3kjr n PRO 475 Cb 0.49 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.84 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 -2.17 0.58 -0.16 0.54 1.70 -0.69 -1.14 118.95 117.61 3kjr s ARG 476 Ca 0.00 -0.82 -0.05 0.00 -0.47 0.00 0.00 55.73 54.39 3kjr s ARG 476 Cb 0.00 -0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 33.99 3kjr s ARG 476 CO 0.00 0.06 0.02 -1.17 -1.08 0.00 0.00 175.30 173.14 3kjr s LEU 477 N -1.70 3.63 -0.19 -1.89 2.96 -1.26 -0.41 118.68 119.81 3kjr s LEU 477 Ca -0.08 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 3kjr s LEU 477 Cb -0.09 -1.89 0.04 0.00 0.50 0.00 0.00 46.19 44.75 3kjr s LEU 477 CO 0.00 0.21 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.56 3kjr s ARG 478 N 0.13 1.81 0.15 1.98 3.52 0.40 -5.00 118.95 121.94 3kjr s ARG 478 Ca 0.03 -0.73 -0.09 0.00 -0.13 0.00 0.00 55.73 54.81 3kjr s ARG 478 Cb -0.13 -2.28 -0.06 0.00 -1.56 0.00 0.00 34.95 30.92 3kjr s ARG 478 CO 0.01 -0.43 0.45 -0.51 -0.81 0.00 0.00 175.30 174.01 3kjr s LEU 479 N 1.48 4.27 -0.28 -0.88 1.43 -1.26 -1.63 118.68 121.81 3kjr s LEU 479 Ca -0.01 0.79 -0.32 0.00 -1.03 0.00 0.00 54.13 53.57 3kjr s LEU 479 Cb -0.16 -3.30 -0.08 0.00 0.03 0.00 0.00 46.19 42.68 3kjr s LEU 479 CO -0.08 0.06 2.20 -3.20 0.23 0.00 0.00 176.35 175.57 3kjr n ASN 480 N 0.37 2.72 0.08 2.29 5.15 0.04 -4.86 115.26 121.05 3kjr n ASN 480 Ca -0.04 0.31 0.08 0.00 -0.60 0.00 0.00 54.58 54.34 3kjr n ASN 480 Cb 0.52 -1.41 0.38 0.00 -0.53 0.00 0.00 39.78 38.74 3kjr n ASN 480 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3kjr n PRO 481 N 8.46 0.10 0.23 1.20 -0.04 -1.26 -2.36 135.00 141.33 3kjr n PRO 481 Ca 0.35 0.46 0.15 0.00 -0.04 0.00 0.00 63.50 64.42 3kjr n PRO 481 Cb 0.34 -1.74 0.53 0.00 -0.04 0.00 0.00 33.50 32.59 3kjr n PRO 481 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3kjr h ASP 482 N 0.00 0.00 -3.06 3.54 3.32 -2.00 -3.44 116.42 114.78 3kjr h ASP 482 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 3kjr h ASP 482 Cb 0.17 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3kjr h ASP 482 CO 0.00 0.00 0.74 -0.63 -1.72 0.00 0.00 179.24 177.63 3kjr s ILE 483 N -3.47 4.30 -0.13 0.35 -1.09 -0.99 -4.89 121.20 115.28 3kjr s ILE 483 Ca 0.04 1.61 0.05 0.00 -2.23 0.00 0.00 60.65 60.11 3kjr s ILE 483 Cb 0.08 -4.04 -0.06 0.00 -1.58 0.00 0.00 42.46 36.87 3kjr s ILE 483 CO 0.54 -0.03 0.16 0.54 -1.23 0.00 0.00 174.94 174.92 3kjr n ARG 484 N 5.52 3.44 -4.93 2.79 5.12 -1.26 -4.72 116.66 122.61 3kjr n ARG 484 Ca 0.11 -0.02 -0.28 0.00 -1.93 0.00 0.00 57.85 55.74 3kjr n ARG 484 Cb 0.46 -0.87 -0.16 0.00 -1.16 0.00 0.00 32.46 30.73 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 -1.85 2.43 0.53 0.55 0.01 -1.26 -4.75 114.94 110.60 3kjr s ASN 485 Ca 0.00 -0.42 0.21 0.00 -0.71 0.00 0.00 52.86 51.94 3kjr s ASN 485 Cb 0.03 -0.92 1.37 0.00 0.41 0.00 0.00 41.25 42.14 3kjr s ASN 485 CO 0.19 0.13 2.10 -0.29 -1.51 0.00 0.00 177.10 177.72 3kjr h ILE 486 N 5.55 0.85 0.00 0.60 2.10 -1.93 0.92 117.51 125.60 3kjr h ILE 486 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.66 3kjr h ILE 486 Cb 1.20 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 3kjr h ILE 486 CO 0.47 0.00 0.00 -1.84 -1.08 0.00 0.00 178.15 175.70 3kjr n GLU 487 N -4.40 0.21 0.01 2.19 0.00 -1.26 -3.08 120.64 114.31 3kjr n GLU 487 Ca 0.01 0.39 0.12 0.00 0.00 0.00 0.00 57.16 57.68 3kjr n GLU 487 Cb 0.27 -1.87 0.32 0.00 0.00 0.00 0.00 31.44 30.16 3kjr n GLU 487 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3kjr n ASP 488 N -2.26 0.42 -4.72 -1.84 8.00 0.32 -4.88 116.55 111.58 3kjr n ASP 488 Ca 0.03 -0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.05 3kjr n ASP 488 Cb 0.27 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 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 -3.01 3.05 0.45 1.24 0.08 -1.18 -5.03 117.98 113.58 3kjr s PHE 489 Ca 0.11 0.64 0.06 0.00 0.12 0.00 0.00 56.93 57.86 3kjr s PHE 489 Cb 0.17 -3.93 -0.04 0.00 -0.57 0.00 0.00 43.02 38.66 3kjr s PHE 489 CO 0.67 -3.40 0.13 0.95 -0.10 0.00 0.00 175.22 173.47 3kjr s THR 490 N 1.07 1.92 0.43 0.64 -4.23 -1.26 -5.01 115.64 109.19 3kjr s THR 490 Ca 0.69 -1.80 0.13 0.00 -1.18 0.00 0.00 61.69 59.53 3kjr s THR 490 Cb -0.44 -2.72 0.31 0.00 1.34 0.00 0.00 72.50 71.00 3kjr s THR 490 CO 0.32 0.00 2.00 -0.29 -0.54 0.00 0.00 174.62 176.11 3kjr h ILE 491 N 1.40 0.94 0.00 2.99 2.10 -1.95 -0.63 117.51 122.36 3kjr h ILE 491 Ca -0.43 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.37 3kjr h ILE 491 Cb 1.27 0.49 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 3kjr h ILE 491 CO 0.72 0.08 0.00 0.44 -1.08 0.00 0.00 178.15 178.30 3kjr h ASP 492 N 0.42 0.00 0.33 2.19 3.32 -2.00 -2.63 116.42 118.05 3kjr h ASP 492 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3kjr h ASP 492 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3kjr h ASP 492 CO -0.06 0.00 -0.19 0.47 -1.72 0.00 0.00 179.24 177.74 3kjr n ASP 493 N -2.65 0.70 -3.95 6.45 8.00 -0.25 -4.73 116.55 120.13 3kjr n ASP 493 Ca 0.01 -0.66 -0.31 0.00 0.71 0.00 0.00 54.79 54.54 3kjr n ASP 493 Cb 0.22 0.02 -0.15 0.00 -0.02 0.00 0.00 41.12 41.19 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 -2.53 2.03 -0.14 0.53 1.01 -0.99 -0.78 121.20 120.32 3kjr s ILE 494 Ca 0.25 -2.27 0.02 0.00 0.00 0.00 0.00 60.65 58.65 3kjr s ILE 494 Cb 0.19 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 40.17 3kjr s ILE 494 CO 0.51 -0.64 -0.19 -0.69 0.00 0.00 0.00 174.94 173.93 3kjr s VAL 495 N 0.91 2.38 -0.23 2.92 1.01 -0.65 -4.99 120.40 121.75 3kjr s VAL 495 Ca 0.11 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 3kjr s VAL 495 Cb -0.19 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3kjr s VAL 495 CO -0.10 0.54 0.11 -0.69 0.00 0.00 0.00 175.10 174.95 3kjr s VAL 496 N 0.69 4.86 0.05 2.92 1.01 -1.26 -0.45 120.40 128.23 3kjr s VAL 496 Ca -0.09 0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.93 3kjr s VAL 496 Cb -0.16 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3kjr s VAL 496 CO 0.01 0.36 0.02 -1.61 0.00 0.00 0.00 175.10 173.88 3kjr s GLU 497 N 1.18 2.72 -1.16 2.72 0.41 0.45 -4.70 118.70 120.31 3kjr s GLU 497 Ca 0.06 -0.72 -0.07 0.00 -0.41 0.00 0.00 54.97 53.83 3kjr s GLU 497 Cb -0.14 -2.64 0.01 0.00 -1.78 0.00 0.00 34.13 29.58 3kjr s GLU 497 CO 0.04 0.58 0.96 -0.25 -0.49 0.00 0.00 175.26 176.10 3kjr n ASP 498 N 0.83 -5.68 -4.60 -0.19 8.00 -1.26 -1.71 116.55 111.94 3kjr n ASP 498 Ca -0.12 -0.43 -0.43 0.00 0.71 0.00 0.00 54.79 54.52 3kjr n ASP 498 Cb 0.52 -4.30 -0.04 0.00 -0.02 0.00 0.00 41.12 37.28 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 -3.25 3.07 -0.18 1.24 5.04 -1.26 -4.25 117.35 117.75 3kjr s TYR 499 Ca 0.47 0.74 -0.01 0.00 -2.44 0.00 0.00 57.07 55.83 3kjr s TYR 499 Cb -0.21 -3.67 -0.00 0.00 0.35 0.00 0.00 41.96 38.42 3kjr s TYR 499 CO 0.59 -0.85 -0.11 0.08 -1.34 0.00 0.00 175.55 173.92 3kjr s VAL 500 N 3.50 2.91 0.10 3.14 1.01 -1.26 -5.06 120.40 124.74 3kjr s VAL 500 Ca 0.38 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3kjr s VAL 500 Cb -0.12 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3kjr s VAL 500 CO 0.19 0.49 -0.05 -0.94 0.00 0.00 0.00 175.10 174.78 3kjr s SER 501 N 1.07 1.08 1.04 3.32 1.04 -1.26 -4.71 113.70 115.27 3kjr s SER 501 Ca -0.00 -1.03 -0.13 0.00 0.48 0.00 0.00 55.95 55.27 3kjr s SER 501 Cb -0.15 0.11 0.21 0.00 0.10 0.00 0.00 66.02 66.29 3kjr s SER 501 CO -0.03 -0.49 1.09 -1.00 0.98 0.00 0.00 173.24 173.80 3kjr s HIS 502 N -3.66 1.88 0.80 5.02 3.76 0.07 -4.89 115.29 118.26 3kjr s HIS 502 Ca 0.13 0.91 -0.11 0.00 -0.15 0.00 0.00 55.06 55.84 3kjr s HIS 502 Cb 0.06 -3.29 0.07 0.00 1.11 0.00 0.00 32.58 30.53 3kjr s HIS 502 CO -0.04 -3.09 1.12 -2.14 -0.85 0.00 0.00 174.74 169.74 3kjr s PRO 503 N -5.00 1.95 0.72 8.40 0.02 -1.26 -2.02 135.00 137.81 3kjr s PRO 503 Ca 0.66 1.36 -0.15 0.00 0.02 0.00 0.00 61.00 62.89 3kjr s PRO 503 Cb -0.18 -1.85 0.04 0.00 0.02 0.00 0.00 34.50 32.53 3kjr s PRO 503 CO 0.58 -1.90 1.23 -1.25 -0.33 0.00 0.00 177.00 175.32 3kjr s PRO 504 N -4.64 2.14 -0.22 5.54 0.04 -1.26 -3.19 135.00 133.40 3kjr s PRO 504 Ca 0.65 1.84 0.01 0.00 0.04 0.00 0.00 61.00 63.54 3kjr s PRO 504 Cb -0.20 -1.82 0.05 0.00 0.04 0.00 0.00 34.50 32.56 3kjr s PRO 504 CO 0.54 -1.86 -0.09 0.42 0.04 0.00 0.00 177.00 176.05 3kjr s ILE 505 N -1.86 1.73 0.20 0.56 1.01 -1.26 -4.86 121.20 116.72 3kjr s ILE 505 Ca 0.76 -1.19 -0.32 0.00 0.00 0.00 0.00 60.65 59.90 3kjr s ILE 505 Cb -0.31 -1.86 -0.12 0.00 0.01 0.00 0.00 42.46 40.17 3kjr s ILE 505 CO 0.45 0.07 1.69 -2.65 0.00 0.00 0.00 174.94 174.49 3kjr n PRO 506 N 4.63 2.63 -3.79 2.79 -0.02 -1.26 -5.00 135.00 134.98 3kjr n PRO 506 Ca -0.14 0.95 -0.19 0.00 -2.02 0.00 0.00 63.50 62.10 3kjr n PRO 506 Cb 0.45 -2.77 -0.17 0.00 -0.02 0.00 0.00 33.50 30.99 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 1.07 0.17 0.32 -0.52 -1.94 -1.26 -4.89 119.30 112.25 3kjr s MET 507 Ca 0.76 0.20 -0.24 0.00 -1.71 0.00 0.00 55.69 54.70 3kjr s MET 507 Cb -0.55 -0.54 -0.10 0.00 2.01 0.00 0.00 34.83 35.66 3kjr s MET 507 CO 0.34 -0.24 0.90 0.00 -0.01 0.00 0.00 175.02 176.02 3kjr s ALA 508 N 1.59 3.22 0.11 3.03 0.00 -1.26 -5.04 121.76 123.41 3kjr s ALA 508 Ca -0.02 0.44 -0.20 0.00 0.00 0.00 0.00 51.96 52.17 3kjr s ALA 508 Cb -0.13 -3.11 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 3kjr s ALA 508 CO -0.03 0.20 0.63 1.41 0.00 0.00 0.00 175.76 177.97 3kjr s MET 509 N -2.21 4.28 -0.01 0.00 1.75 -1.26 -4.97 119.30 116.88 3kjr s MET 509 Ca 0.51 0.83 0.01 0.00 -1.25 0.00 0.00 55.69 55.79 3kjr s MET 509 Cb -0.17 -3.19 -0.04 0.00 2.84 0.00 0.00 34.83 34.27 3kjr s MET 509 CO 0.22 0.59 0.02 -1.12 -0.65 0.00 0.00 175.02 174.08 3kjr s SER 510 N -1.20 5.25 0.00 1.11 0.01 -1.26 -5.13 113.70 112.47 3kjr s SER 510 Ca 0.32 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.61 3kjr s SER 510 Cb -0.20 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.62 3kjr s SER 510 CO 0.21 0.28 0.00 0.00 0.41 0.00 0.00 173.24 174.14