#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkr s ILE 3 N 0.00 4.57 -0.23 -0.18 1.01 -0.32 -1.93 121.20 124.12 1kkr s ILE 3 Ca 0.00 1.59 0.01 0.00 0.00 0.00 0.00 60.65 62.25 1kkr s ILE 3 Cb 0.00 -4.09 -0.15 0.00 0.01 0.00 0.00 42.46 38.23 1kkr s ILE 3 CO 0.00 0.47 -0.21 1.17 0.00 0.00 0.00 174.94 176.37 1kkr n LYS 4 N 2.10 0.57 -3.77 2.79 4.81 0.11 -0.27 118.16 124.49 1kkr n LYS 4 Ca -0.05 0.14 -0.13 0.00 -0.87 0.00 0.00 58.31 57.40 1kkr n LYS 4 Cb 0.50 -1.45 -0.10 0.00 0.02 0.00 0.00 35.03 34.00 1kkr n LYS 4 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1kkr s GLN 5 N -2.45 0.48 -0.12 1.64 0.74 -0.94 -4.59 119.66 114.41 1kkr s GLN 5 Ca -0.31 0.17 0.03 0.00 0.05 0.00 0.00 55.36 55.30 1kkr s GLN 5 Cb 0.08 0.22 0.01 0.00 1.10 0.00 0.00 33.01 34.42 1kkr s GLN 5 CO 0.52 -0.10 -0.22 0.00 -0.55 0.00 0.00 175.29 174.94 1kkr s ALA 6 N -0.45 2.17 0.06 1.58 0.00 -1.26 -0.66 121.76 123.21 1kkr s ALA 6 Ca -0.06 -1.02 0.09 0.00 0.00 0.00 0.00 51.96 50.97 1kkr s ALA 6 Cb -0.04 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 1kkr s ALA 6 CO 0.02 0.06 -0.22 -0.51 0.00 0.00 0.00 175.76 175.11 1kkr s LEU 7 N 0.68 2.43 -0.11 0.00 1.43 0.46 -4.97 118.68 118.60 1kkr s LEU 7 Ca -0.11 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1kkr s LEU 7 Cb -0.16 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.68 1kkr s LEU 7 CO 0.01 0.24 -0.10 -0.36 0.23 0.00 0.00 176.35 176.37 1kkr s PHE 8 N -0.93 1.65 -0.03 0.29 0.08 -1.26 -0.97 117.98 116.81 1kkr s PHE 8 Ca 0.14 -0.81 0.05 0.00 0.12 0.00 0.00 56.93 56.42 1kkr s PHE 8 Cb -0.10 -1.29 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 1kkr s PHE 8 CO 0.05 -0.50 -0.17 0.95 -0.10 0.00 0.00 175.22 175.44 1kkr s THR 9 N 1.45 1.37 0.46 0.64 -4.23 -0.31 -4.96 115.64 110.06 1kkr s THR 9 Ca 0.01 -0.72 -0.23 0.00 -1.18 0.00 0.00 61.69 59.57 1kkr s THR 9 Cb -0.13 -1.16 -0.07 0.00 1.34 0.00 0.00 72.50 72.47 1kkr s THR 9 CO -0.06 0.39 1.20 0.00 -0.54 0.00 0.00 174.62 175.61 1kkr s ALA 10 N -0.20 3.00 0.20 3.99 0.00 -1.26 -0.79 121.76 126.70 1kkr s ALA 10 Ca 0.02 1.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.93 1kkr s ALA 10 Cb -0.09 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.64 1kkr s ALA 10 CO 0.01 -0.75 0.38 0.41 0.00 0.00 0.00 175.76 175.81 1kkr n GLY 11 N 0.52 1.77 3.69 0.00 0.00 -0.33 -4.86 105.19 105.98 1kkr n GLY 11 Ca 0.07 -1.24 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 1kkr n GLY 11 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kkr s TYR 12 N -4.95 3.24 0.73 1.61 2.02 -1.26 -1.86 117.35 116.89 1kkr s TYR 12 Ca 0.11 0.18 -0.04 0.00 -0.37 0.00 0.00 57.07 56.94 1kkr s TYR 12 Cb -0.02 -1.90 0.15 0.00 -0.40 0.00 0.00 41.96 39.79 1kkr s TYR 12 CO 0.08 0.39 1.00 -1.13 -1.57 0.00 0.00 175.55 174.32 1kkr n SER 13 N 2.57 0.94 -1.15 2.29 3.41 -0.94 -4.68 113.62 116.06 1kkr n SER 13 Ca -0.18 -1.89 0.05 0.00 -0.26 0.00 0.00 58.87 56.59 1kkr n SER 13 Cb 0.53 -0.68 0.23 0.00 -0.26 0.00 0.00 64.21 64.03 1kkr n SER 13 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1kkr n SER 14 N -3.15 3.33 0.00 4.04 7.64 -0.66 -4.71 113.62 120.11 1kkr n SER 14 Ca 0.15 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.67 1kkr n SER 14 Cb 0.54 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1kkr n SER 14 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1kkr n PHE 15 N 0.53 0.00 -4.17 1.43 7.35 -1.24 -4.08 117.46 117.26 1kkr n PHE 15 Ca 0.16 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.74 1kkr n PHE 15 Cb 0.66 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.39 1kkr n PHE 15 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 1kkr s TYR 16 N 1.03 0.94 -0.03 -5.13 1.51 -1.26 -1.52 117.35 112.88 1kkr s TYR 16 Ca 0.00 -0.85 -0.12 0.00 -1.01 0.00 0.00 57.07 55.09 1kkr s TYR 16 Cb 0.00 -0.53 -0.05 0.00 -0.11 0.00 0.00 41.96 41.27 1kkr s TYR 16 CO 0.00 -0.10 0.32 -0.06 -1.11 0.00 0.00 175.55 174.59 1kkr s PHE 17 N -3.36 3.68 -0.08 2.71 0.08 -0.04 -4.52 117.98 116.45 1kkr s PHE 17 Ca 0.11 0.82 0.03 0.00 0.12 0.00 0.00 56.93 58.00 1kkr s PHE 17 Cb 0.03 -2.16 0.01 0.00 -0.57 0.00 0.00 43.02 40.33 1kkr s PHE 17 CO -0.03 0.67 -0.16 -0.51 -0.10 0.00 0.00 175.22 175.09 1kkr s ASP 18 N -1.12 2.25 -0.84 1.36 1.01 -0.11 -3.04 116.67 116.18 1kkr s ASP 18 Ca 0.21 -0.39 -0.25 0.00 0.71 0.00 0.00 52.55 52.83 1kkr s ASP 18 Cb -0.15 -1.03 -0.03 0.00 1.01 0.00 0.00 42.92 42.72 1kkr s ASP 18 CO 0.11 0.06 1.88 -0.62 0.21 0.00 0.00 175.17 176.81 1kkr s ASP 19 N 0.66 5.28 -0.67 0.27 -1.08 -0.05 -4.49 116.67 116.58 1kkr s ASP 19 Ca -0.14 -0.49 -0.27 0.00 -0.52 0.00 0.00 52.55 51.13 1kkr s ASP 19 Cb -0.16 -2.55 0.03 0.00 -1.46 0.00 0.00 42.92 38.77 1kkr s ASP 19 CO 0.04 -2.57 1.27 0.00 0.52 0.00 0.00 175.17 174.43 1kkr s GLN 20 N 6.87 3.31 0.00 4.34 1.03 -1.26 -3.15 119.66 130.79 1kkr s GLN 20 Ca 0.67 0.00 0.00 0.00 0.04 0.00 0.00 55.36 56.07 1kkr s GLN 20 Cb -0.08 -4.12 0.00 0.00 0.03 0.00 0.00 33.01 28.84 1kkr s GLN 20 CO 0.04 -1.98 0.00 0.00 -2.54 0.00 0.00 175.29 170.81 1kkr n GLN 21 N 8.99 0.00 0.00 9.60 10.64 -1.26 -4.87 117.38 140.48 1kkr n GLN 21 Ca 0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 1kkr n GLN 21 Cb 0.49 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.87 1kkr n GLN 21 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1kkr n ALA 22 N 0.00 0.00 -1.10 2.61 0.00 -1.21 -4.20 120.51 116.61 1kkr n ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1kkr n ALA 22 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1kkr n ALA 22 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1kkr n ILE 23 N -0.74 0.00 0.24 0.00 5.41 -1.19 -0.13 119.36 122.95 1kkr n ILE 23 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1kkr n ILE 23 Cb 0.00 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 1kkr n ILE 23 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1kkr n LYS 24 N -0.38 0.02 -0.00 0.38 5.02 -1.26 0.81 118.16 122.74 1kkr n LYS 24 Ca 0.00 0.70 -0.02 0.00 -2.02 0.00 0.00 58.31 56.97 1kkr n LYS 24 Cb 0.00 -2.19 -0.01 0.00 -0.02 0.00 0.00 35.03 32.82 1kkr n LYS 24 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1kkr h ASN 25 N 0.00 -0.09 0.00 4.39 -0.26 -1.91 -3.48 115.58 114.22 1kkr h ASN 25 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1kkr h ASN 25 Cb 1.62 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.90 1kkr h ASN 25 CO 0.00 0.39 0.00 0.61 -1.06 0.00 0.00 177.43 177.37 1kkr n GLY 26 N 1.51 0.00 3.60 2.83 0.00 0.24 -5.04 105.19 108.33 1kkr n GLY 26 Ca -0.01 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.52 1kkr n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkr n ALA 27 N 0.00 -0.41 -1.40 4.61 0.00 0.81 -4.92 120.51 119.20 1kkr n ALA 27 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 53.44 53.61 1kkr n ALA 27 Cb 0.00 -2.10 0.10 0.00 0.00 0.00 0.00 19.45 17.45 1kkr n ALA 27 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1kkr s GLY 28 N 0.27 1.63 -0.08 0.00 0.00 -1.17 -4.77 107.32 103.20 1kkr s GLY 28 Ca 0.77 -0.08 0.03 0.00 0.00 0.00 0.00 44.72 45.43 1kkr s GLY 28 CO 0.49 0.35 -0.18 -1.58 0.00 0.00 0.00 173.10 172.18 1kkr s HIS 29 N -3.04 2.65 -0.30 1.90 2.46 -1.26 0.56 115.29 118.25 1kkr s HIS 29 Ca 0.62 -0.55 -0.03 0.00 0.47 0.00 0.00 55.06 55.56 1kkr s HIS 29 Cb -0.16 -1.70 0.10 0.00 -0.13 0.00 0.00 32.58 30.70 1kkr s HIS 29 CO 0.55 -0.11 0.13 0.34 -2.47 0.00 0.00 174.74 173.18 1kkr s ASP 30 N -0.12 3.62 1.45 9.88 2.15 -0.98 -4.91 116.67 127.77 1kkr s ASP 30 Ca -0.03 -1.44 0.00 0.00 0.43 0.00 0.00 52.55 51.52 1kkr s ASP 30 Cb -0.14 -0.48 0.00 0.00 -0.30 0.00 0.00 42.92 42.00 1kkr s ASP 30 CO 0.04 -0.42 0.00 0.61 -0.17 0.00 0.00 175.17 175.22 1kkr n GLY 31 N 5.07 2.45 2.04 2.66 0.00 -1.26 -2.90 105.19 113.26 1kkr n GLY 31 Ca -0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1kkr n GLY 31 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1kkr n PHE 32 N 7.10 2.55 -3.99 1.61 7.35 -1.26 -5.00 117.46 125.81 1kkr n PHE 32 Ca 0.00 -1.28 -0.12 0.00 -0.76 0.00 0.00 57.45 55.29 1kkr n PHE 32 Cb 0.00 -0.73 -0.03 0.00 0.35 0.00 0.00 39.48 39.07 1kkr n PHE 32 CO 0.00 0.00 0.00 0.44 -0.76 0.00 0.00 176.76 176.44 1kkr n ILE 33 N -0.26 0.00 -4.66 -2.13 -5.35 -1.14 -5.05 119.36 100.76 1kkr n ILE 33 Ca 0.43 -1.47 -0.32 0.00 -0.27 0.00 0.00 62.75 61.13 1kkr n ILE 33 Cb 1.43 0.87 -0.12 0.00 -1.74 0.00 0.00 39.64 40.07 1kkr n ILE 33 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1kkr s TYR 34 N -3.32 2.71 0.19 4.28 2.02 -1.26 -2.31 117.35 119.66 1kkr s TYR 34 Ca 0.24 -0.15 -0.08 0.00 -0.37 0.00 0.00 57.07 56.71 1kkr s TYR 34 Cb -0.00 -1.56 -0.06 0.00 -0.40 0.00 0.00 41.96 39.93 1kkr s TYR 34 CO 0.17 0.27 0.47 0.95 -1.57 0.00 0.00 175.55 175.85 1kkr s THR 35 N -0.89 5.03 0.00 -0.71 -4.23 0.19 -4.60 115.64 110.43 1kkr s THR 35 Ca 0.14 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 1kkr s THR 35 Cb -0.11 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1kkr s THR 35 CO 0.05 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 1kkr n GLY 36 N 0.02 0.96 3.18 3.99 0.00 -1.26 -3.05 105.19 109.03 1kkr n GLY 36 Ca -0.01 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 1kkr n GLY 36 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1kkr s ASP 37 N -4.00 3.99 0.52 1.61 -4.77 -1.26 -4.83 116.67 107.92 1kkr s ASP 37 Ca 0.00 -0.79 -0.20 0.00 -3.30 0.00 0.00 52.55 48.26 1kkr s ASP 37 Cb 0.00 -1.61 -0.07 0.00 -1.09 0.00 0.00 42.92 40.15 1kkr s ASP 37 CO 0.00 -0.08 1.10 -2.16 0.70 0.00 0.00 175.17 174.73 1kkr s PRO 38 N 1.31 3.53 -0.11 2.11 0.04 -1.26 -4.80 135.00 135.81 1kkr s PRO 38 Ca 0.01 1.54 0.19 0.00 0.04 0.00 0.00 61.00 62.78 1kkr s PRO 38 Cb -0.16 -2.06 -0.26 0.00 0.04 0.00 0.00 34.50 32.07 1kkr s PRO 38 CO -0.07 -0.69 0.30 1.33 0.04 0.00 0.00 177.00 177.91 1kkr n VAL 39 N -1.14 0.99 -2.92 -0.36 0.24 -1.26 -5.00 118.33 108.88 1kkr n VAL 39 Ca 0.11 -0.74 -0.37 0.00 -2.04 0.00 0.00 64.34 61.30 1kkr n VAL 39 Cb 0.51 -0.39 -0.06 0.00 -1.47 0.00 0.00 33.84 32.43 1kkr n VAL 39 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1kkr s THR 40 N -2.83 4.36 0.22 3.34 2.01 -1.26 -5.04 115.64 116.43 1kkr s THR 40 Ca -0.08 1.61 -0.30 0.00 0.31 0.00 0.00 61.69 63.23 1kkr s THR 40 Cb 0.09 -3.96 -0.09 0.00 0.01 0.00 0.00 72.50 68.54 1kkr s THR 40 CO 0.85 0.20 1.24 -2.16 -0.69 0.00 0.00 174.62 174.06 1kkr s PRO 41 N -1.95 4.46 0.00 4.92 0.05 -1.26 -4.16 135.00 137.06 1kkr s PRO 41 Ca 0.46 1.97 0.00 0.00 0.05 0.00 0.00 61.00 63.48 1kkr s PRO 41 Cb -0.18 -3.20 0.00 0.00 0.05 0.00 0.00 34.50 31.17 1kkr s PRO 41 CO 0.23 -0.13 0.00 0.41 0.05 0.00 0.00 177.00 177.56 1kkr n GLY 42 N 1.99 3.02 1.07 0.56 0.00 -1.26 -4.59 105.19 105.98 1kkr n GLY 42 Ca 0.04 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 1kkr n GLY 42 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1kkr n PHE 43 N 0.00 0.35 0.38 1.61 3.72 -1.26 -4.92 117.46 117.34 1kkr n PHE 43 Ca 0.00 0.24 0.12 0.00 -0.05 0.00 0.00 57.45 57.76 1kkr n PHE 43 Cb 0.00 -0.75 0.25 0.00 -0.94 0.00 0.00 39.48 38.04 1kkr n PHE 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kkr h THR 44 N 2.31 0.00 -4.40 4.37 1.03 -1.95 -3.47 112.91 110.80 1kkr h THR 44 Ca -0.03 -0.79 -0.20 0.00 -0.01 0.00 0.00 66.41 65.38 1kkr h THR 44 Cb 0.46 1.76 -0.14 0.00 -1.07 0.00 0.00 68.15 69.16 1kkr h THR 44 CO 0.37 0.00 -0.55 -0.44 -0.01 0.00 0.00 175.52 174.89 1kkr s SER 45 N -5.51 0.15 0.33 0.00 0.01 -1.26 -5.01 113.70 102.41 1kkr s SER 45 Ca 0.08 -1.26 0.15 0.00 1.31 0.00 0.00 55.95 56.23 1kkr s SER 45 Cb 0.08 0.39 0.52 0.00 0.21 0.00 0.00 66.02 67.22 1kkr s SER 45 CO 0.65 -0.85 1.67 0.58 0.41 0.00 0.00 173.24 175.69 1kkr h VAL 46 N 2.63 1.10 -3.58 3.43 2.07 -1.88 -3.42 116.25 116.61 1kkr h VAL 46 Ca -0.34 -1.80 -0.40 0.00 0.82 0.00 0.00 66.70 64.98 1kkr h VAL 46 Cb 1.24 2.04 -0.33 0.00 -1.52 0.00 0.00 31.29 32.72 1kkr h VAL 46 CO 0.52 0.47 -0.77 -0.60 0.02 0.00 0.00 177.57 177.21 1kkr s ARG 47 N -3.57 0.78 0.32 1.57 3.52 -1.26 -0.87 118.95 119.43 1kkr s ARG 47 Ca -0.00 -0.14 -0.02 0.00 -0.13 0.00 0.00 55.73 55.43 1kkr s ARG 47 Cb 0.11 -0.77 -0.01 0.00 -1.56 0.00 0.00 34.95 32.73 1kkr s ARG 47 CO 0.72 -0.02 0.42 -0.65 -0.81 0.00 0.00 175.30 174.95 1kkr s GLN 48 N 0.66 1.78 0.17 5.12 -0.21 -1.17 -4.89 119.66 121.11 1kkr s GLN 48 Ca -0.09 -1.72 -0.34 0.00 0.02 0.00 0.00 55.36 53.23 1kkr s GLN 48 Cb -0.12 0.41 -0.14 0.00 1.00 0.00 0.00 33.01 34.17 1kkr s GLN 48 CO 0.00 -0.72 1.60 0.00 -2.12 0.00 0.00 175.29 174.05 1kkr n ALA 49 N -0.52 1.61 -1.77 6.09 0.00 -1.26 -0.86 120.51 123.80 1kkr n ALA 49 Ca 0.02 0.44 -0.39 0.00 0.00 0.00 0.00 53.44 53.50 1kkr n ALA 49 Cb 0.62 -2.38 -0.01 0.00 0.00 0.00 0.00 19.45 17.68 1kkr n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1kkr s GLY 50 N 0.94 2.93 0.14 0.00 0.00 -0.58 -4.28 107.32 106.47 1kkr s GLY 50 Ca 0.78 1.17 0.07 0.00 0.00 0.00 0.00 44.72 46.74 1kkr s GLY 50 CO 0.37 1.75 -0.15 -0.54 0.00 0.00 0.00 173.10 174.53 1kkr s GLU 51 N -2.16 1.13 0.18 2.90 2.02 -1.26 -2.20 118.70 119.32 1kkr s GLU 51 Ca 0.55 -1.33 -0.01 0.00 0.02 0.00 0.00 54.97 54.21 1kkr s GLU 51 Cb -0.37 -1.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.76 1kkr s GLU 51 CO 0.47 0.20 0.10 0.00 0.02 0.00 0.00 175.26 176.05 1kkr s VAL 53 N -4.05 1.21 -0.09 0.00 1.01 -0.91 -1.19 120.40 116.37 1kkr s VAL 53 Ca 0.33 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 61.37 1kkr s VAL 53 Cb 0.07 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1kkr s VAL 53 CO 0.09 0.17 0.92 -0.44 0.00 0.00 0.00 175.10 175.84 1kkr s SER 54 N 1.60 7.17 -0.24 3.32 0.01 0.03 0.49 113.70 126.07 1kkr s SER 54 Ca 0.01 1.43 -0.10 0.00 1.31 0.00 0.00 55.95 58.60 1kkr s SER 54 Cb -0.15 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 1kkr s SER 54 CO -0.08 -0.36 0.16 -0.69 0.41 0.00 0.00 173.24 172.68 1kkr s VAL 55 N 1.69 5.28 -0.10 3.43 1.01 0.56 -1.16 120.40 131.11 1kkr s VAL 55 Ca 0.45 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.62 1kkr s VAL 55 Cb -0.18 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1kkr s VAL 55 CO 0.19 0.33 -0.21 -1.10 0.00 0.00 0.00 175.10 174.31 1kkr s GLN 56 N 1.17 2.78 -0.34 2.72 -0.21 -0.14 -1.86 119.66 123.78 1kkr s GLN 56 Ca 0.07 -0.78 -0.01 0.00 0.02 0.00 0.00 55.36 54.66 1kkr s GLN 56 Cb -0.14 -2.14 0.08 0.00 1.00 0.00 0.00 33.01 31.81 1kkr s GLN 56 CO 0.05 0.12 0.06 -0.51 -2.12 0.00 0.00 175.29 172.90 1kkr s LEU 57 N 0.47 4.43 -0.37 2.90 1.43 -0.04 -0.40 118.68 127.09 1kkr s LEU 57 Ca -0.16 -1.68 -0.29 0.00 -1.03 0.00 0.00 54.13 50.97 1kkr s LEU 57 Cb -0.17 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.35 1kkr s LEU 57 CO 0.07 -0.36 1.07 -0.63 0.23 0.00 0.00 176.35 176.73 1kkr s ILE 58 N 1.14 4.43 0.72 -0.59 1.01 0.17 -1.61 121.20 126.47 1kkr s ILE 58 Ca 0.02 1.51 -0.06 0.00 0.00 0.00 0.00 60.65 62.12 1kkr s ILE 58 Cb -0.21 -4.46 0.09 0.00 0.01 0.00 0.00 42.46 37.89 1kkr s ILE 58 CO -0.04 -0.65 1.03 -0.76 0.00 0.00 0.00 174.94 174.52 1kkr s LEU 59 N 3.87 2.88 0.34 2.97 1.43 -0.11 0.05 118.68 130.11 1kkr s LEU 59 Ca 0.45 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.81 1kkr s LEU 59 Cb -0.11 -2.78 0.62 0.00 0.03 0.00 0.00 46.19 43.95 1kkr s LEU 59 CO 0.21 -1.75 1.99 -0.33 0.23 0.00 0.00 176.35 176.70 1kkr h GLU 60 N -0.65 0.86 0.00 1.70 5.08 -1.71 -0.26 114.58 119.60 1kkr h GLU 60 Ca -0.43 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1kkr h GLU 60 Cb 1.30 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1kkr h GLU 60 CO 0.53 0.57 0.00 0.27 -1.00 0.00 0.00 179.01 179.38 1kkr n ASN 61 N -4.44 0.00 0.00 1.42 6.94 -1.26 -4.86 115.26 113.05 1kkr n ASN 61 Ca 0.08 -1.41 0.00 0.00 -0.02 0.00 0.00 54.58 53.23 1kkr n ASN 61 Cb 0.08 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 1kkr n ASN 61 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kkr n GLY 62 N 0.36 2.32 3.74 4.83 0.00 -0.11 -5.04 105.19 111.28 1kkr n GLY 62 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1kkr n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkr s ALA 63 N -3.28 2.27 -0.29 4.61 0.00 -1.26 -4.73 121.76 119.09 1kkr s ALA 63 Ca 0.00 0.84 0.03 0.00 0.00 0.00 0.00 51.96 52.82 1kkr s ALA 63 Cb 0.00 -3.44 0.07 0.00 0.00 0.00 0.00 23.12 19.75 1kkr s ALA 63 CO 0.00 -1.62 -0.05 0.08 0.00 0.00 0.00 175.76 174.18 1kkr s VAL 64 N -1.98 2.31 0.28 0.00 1.01 -1.26 -0.93 120.40 119.83 1kkr s VAL 64 Ca 0.73 -1.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.69 1kkr s VAL 64 Cb -0.28 -2.46 -0.09 0.00 0.00 0.00 0.00 36.38 33.56 1kkr s VAL 64 CO 0.42 -0.20 0.82 0.00 0.00 0.00 0.00 175.10 176.14 1kkr s ALA 65 N 1.07 3.31 0.06 5.51 0.00 -0.63 -4.88 121.76 126.20 1kkr s ALA 65 Ca -0.03 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.26 1kkr s ALA 65 Cb -0.20 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 1kkr s ALA 65 CO -0.05 0.26 -0.09 0.14 0.00 0.00 0.00 175.76 176.02 1kkr s VAL 66 N -1.64 0.70 -0.06 0.00 -7.23 -1.26 -0.86 120.40 110.05 1kkr s VAL 66 Ca 0.48 -1.30 -0.29 0.00 -1.81 0.00 0.00 61.98 59.05 1kkr s VAL 66 Cb -0.16 -0.92 0.10 0.00 0.56 0.00 0.00 36.38 35.96 1kkr s VAL 66 CO 0.21 -0.45 0.85 -0.83 -0.31 0.00 0.00 175.10 174.57 1kkr s GLY 67 N -1.91 -0.44 -0.09 2.32 0.00 -0.78 -3.71 107.32 102.72 1kkr s GLY 67 Ca -0.04 1.42 0.03 0.00 0.00 0.00 0.00 44.72 46.13 1kkr s GLY 67 CO -0.00 0.74 -0.19 0.99 0.00 0.00 0.00 173.10 174.64 1kkr s ASP 68 N -1.66 2.53 -0.13 1.64 1.01 -1.26 -0.32 116.67 118.48 1kkr s ASP 68 Ca -0.02 -0.45 -0.29 0.00 0.71 0.00 0.00 52.55 52.50 1kkr s ASP 68 Cb -0.01 -1.16 -0.01 0.00 1.01 0.00 0.00 42.92 42.75 1kkr s ASP 68 CO -0.01 0.10 0.99 0.00 0.21 0.00 0.00 175.17 176.46 1kkr s ALA 70 N 2.18 -1.22 0.11 0.00 0.00 -1.23 -2.14 121.76 119.47 1kkr s ALA 70 Ca 0.46 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1kkr s ALA 70 Cb -0.18 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 1kkr s ALA 70 CO 0.15 -0.77 -0.03 0.00 0.00 0.00 0.00 175.76 175.11 1kkr s ALA 71 N -3.81 1.00 1.10 0.00 0.00 -1.26 -4.43 121.76 114.36 1kkr s ALA 71 Ca 0.04 -1.40 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 1kkr s ALA 71 Cb -0.01 0.33 0.25 0.00 0.00 0.00 0.00 23.12 23.69 1kkr s ALA 71 CO -0.08 -0.29 1.05 0.14 0.00 0.00 0.00 175.76 176.58 1kkr s VAL 72 N -3.70 2.06 0.18 0.00 -7.23 -1.26 -4.55 120.40 105.89 1kkr s VAL 72 Ca 0.15 0.02 -0.14 0.00 -1.81 0.00 0.00 61.98 60.20 1kkr s VAL 72 Cb 0.06 -2.23 0.07 0.00 0.56 0.00 0.00 36.38 34.84 1kkr s VAL 72 CO -0.03 -0.02 1.84 -0.61 -0.31 0.00 0.00 175.10 175.97 1kkr h GLN 73 N -2.35 0.70 -2.66 4.82 4.15 -1.91 -2.95 115.11 114.90 1kkr h GLN 73 Ca -0.59 -0.04 -0.71 0.00 0.77 0.00 0.00 58.65 58.08 1kkr h GLN 73 Cb 1.33 -0.16 -0.35 0.00 0.21 0.00 0.00 27.48 28.52 1kkr h GLN 73 CO 0.53 0.46 0.13 0.66 -1.93 0.00 0.00 178.83 178.67 1kkr n TYR 74 N -4.72 3.06 -0.73 3.99 4.02 -1.26 -0.94 117.16 120.58 1kkr n TYR 74 Ca 0.03 -3.40 -0.33 0.00 -0.01 0.00 0.00 57.90 54.19 1kkr n TYR 74 Cb 0.03 -0.96 0.15 0.00 -0.02 0.00 0.00 39.34 38.54 1kkr n TYR 74 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1kkr n SER 75 N 1.23 -2.48 0.00 7.72 7.64 -1.12 -3.67 113.62 122.93 1kkr n SER 75 Ca 0.27 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1kkr n SER 75 Cb 0.37 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1kkr n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kkr n GLY 76 N 2.29 3.01 3.57 0.23 0.00 -0.97 -4.86 105.19 108.46 1kkr n GLY 76 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1kkr n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkr s ALA 77 N -2.81 3.14 0.00 4.61 0.00 -1.24 -4.64 121.76 120.82 1kkr s ALA 77 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1kkr s ALA 77 Cb 0.00 0.53 0.00 0.00 0.00 0.00 0.00 23.12 23.65 1kkr s ALA 77 CO 0.00 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1kkr n GLY 78 N -0.97 0.11 0.00 0.00 0.00 -1.26 -1.77 105.19 101.31 1kkr n GLY 78 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1kkr n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkr n GLY 79 N -0.23 1.51 3.62 -0.02 0.00 -1.26 -4.12 105.19 104.70 1kkr n GLY 79 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1kkr n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kkr s ARG 80 N -0.50 2.27 1.15 1.61 0.52 -0.73 -5.04 118.95 118.24 1kkr s ARG 80 Ca 0.00 -1.04 -0.18 0.00 -0.52 0.00 0.00 55.73 54.00 1kkr s ARG 80 Cb 0.00 -2.35 0.26 0.00 0.52 0.00 0.00 34.95 33.39 1kkr s ARG 80 CO 0.00 0.49 1.11 -0.51 0.02 0.00 0.00 175.30 176.42 1kkr s ASP 81 N -2.48 1.33 0.48 0.23 1.01 -1.26 -3.88 116.67 112.10 1kkr s ASP 81 Ca 0.24 0.73 0.00 0.00 0.71 0.00 0.00 52.55 54.23 1kkr s ASP 81 Cb -0.10 -1.06 0.00 0.00 1.01 0.00 0.00 42.92 42.77 1kkr s ASP 81 CO 0.16 -3.88 0.00 -0.81 0.21 0.00 0.00 175.17 170.85 1kkr n PRO 82 N -4.61 -0.17 -2.79 8.23 -0.04 -1.26 -2.28 135.00 132.08 1kkr n PRO 82 Ca 0.11 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.15 1kkr n PRO 82 Cb 0.59 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.01 1kkr n PRO 82 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1kkr s LEU 83 N 0.00 3.97 -1.17 1.53 2.96 -1.26 -4.59 118.68 120.12 1kkr s LEU 83 Ca 0.00 0.28 -0.21 0.00 -0.22 0.00 0.00 54.13 53.98 1kkr s LEU 83 Cb 0.00 -3.25 0.03 0.00 0.50 0.00 0.00 46.19 43.47 1kkr s LEU 83 CO 0.00 -1.02 1.70 0.12 -1.32 0.00 0.00 176.35 175.83 1kkr s PHE 84 N 3.75 2.51 -0.16 5.38 5.36 -1.26 -4.95 117.98 128.61 1kkr s PHE 84 Ca 0.38 -0.91 -0.08 0.00 -0.96 0.00 0.00 56.93 55.37 1kkr s PHE 84 Cb -0.10 -4.57 -0.04 0.00 -0.34 0.00 0.00 43.02 37.96 1kkr s PHE 84 CO 0.25 -1.75 0.12 -0.51 -1.46 0.00 0.00 175.22 171.87 1kkr s LEU 85 N 5.92 4.24 0.12 6.12 1.43 -1.26 -4.57 118.68 130.68 1kkr s LEU 85 Ca 0.55 0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 53.77 1kkr s LEU 85 Cb 0.01 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 1kkr s LEU 85 CO 0.03 0.30 1.71 0.00 0.23 0.00 0.00 176.35 178.61 1kkr h ALA 86 N 5.80 0.08 -0.28 4.21 0.00 -1.92 -1.72 119.26 125.43 1kkr h ALA 86 Ca -0.48 0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.57 1kkr h ALA 86 Cb 1.19 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1kkr h ALA 86 CO 0.66 -0.50 0.34 1.05 0.00 0.00 0.00 179.25 180.81 1kkr h GLU 87 N -0.03 0.00 0.17 0.00 4.11 -1.97 -1.13 114.58 115.73 1kkr h GLU 87 Ca 0.08 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.15 1kkr h GLU 87 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1kkr h GLU 87 CO -0.17 0.00 -1.84 1.25 0.07 0.00 0.00 179.01 178.31 1kkr h HIS 88 N 0.00 0.64 0.00 2.06 6.17 -1.77 -3.40 115.15 118.85 1kkr h HIS 88 Ca 0.13 -0.47 0.00 0.00 0.71 0.00 0.00 60.37 60.75 1kkr h HIS 88 Cb 0.81 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.72 1kkr h HIS 88 CO 0.00 1.72 -0.13 0.74 0.71 0.00 0.00 177.93 180.97 1kkr h PHE 89 N 0.10 0.00 -0.04 5.26 0.04 -0.49 -3.09 116.94 118.72 1kkr h PHE 89 Ca -0.37 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.36 1kkr h PHE 89 Cb 2.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.23 1kkr h PHE 89 CO 0.09 0.00 -0.12 0.82 -0.60 0.00 0.00 178.31 178.50 1kkr h ILE 90 N 0.00 1.46 -0.53 -0.55 2.04 -1.46 0.11 117.51 118.58 1kkr h ILE 90 Ca 0.00 -1.55 0.03 0.00 1.00 0.00 0.00 64.86 64.34 1kkr h ILE 90 Cb 0.79 2.39 -0.04 0.00 -0.74 0.00 0.00 36.82 39.23 1kkr h ILE 90 CO 0.00 0.42 0.31 -0.65 0.00 0.00 0.00 178.15 178.23 1kkr h PRO 91 N -0.41 0.60 -0.55 2.37 0.11 -1.79 0.14 132.00 132.46 1kkr h PRO 91 Ca -0.00 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.11 1kkr h PRO 91 Cb 0.75 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.68 1kkr h PRO 91 CO 0.03 0.39 0.29 0.35 -0.21 0.00 0.00 178.00 178.85 1kkr h PHE 92 N 0.61 0.53 -0.15 0.65 3.04 -1.45 0.33 116.94 120.52 1kkr h PHE 92 Ca 0.22 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.18 1kkr h PHE 92 Cb 0.05 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 1kkr h PHE 92 CO -0.07 0.27 0.06 -0.07 -2.02 0.00 0.00 178.31 176.48 1kkr h LEU 93 N 0.56 0.20 -1.14 0.59 3.38 -0.42 0.68 115.31 119.16 1kkr h LEU 93 Ca 0.24 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1kkr h LEU 93 Cb 0.13 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1kkr h LEU 93 CO -0.16 0.30 -0.06 0.78 0.09 0.00 0.00 178.44 179.39 1kkr h ASN 94 N 0.09 0.51 0.21 -0.43 -0.26 -0.05 -0.92 115.58 114.72 1kkr h ASN 94 Ca 0.05 -0.11 -0.32 0.00 -0.56 0.00 0.00 56.30 55.35 1kkr h ASN 94 Cb 0.16 -0.13 0.04 0.00 -1.06 0.00 0.00 38.32 37.32 1kkr h ASN 94 CO -0.00 0.62 -1.39 0.44 -1.06 0.00 0.00 177.43 176.04 1kkr h ASP 95 N 0.50 0.87 0.00 5.81 3.32 -0.22 -3.37 116.42 123.33 1kkr h ASP 95 Ca 0.10 -0.87 -0.04 0.00 0.02 0.00 0.00 57.03 56.24 1kkr h ASP 95 Cb 0.42 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1kkr h ASP 95 CO 0.02 1.67 -1.45 1.41 -1.72 0.00 0.00 179.24 179.17 1kkr n HIS 96 N -3.75 0.00 -0.06 4.55 8.25 0.22 -4.79 115.22 119.64 1kkr n HIS 96 Ca -0.16 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.22 1kkr n HIS 96 Cb 1.06 -0.26 -0.06 0.00 1.12 0.00 0.00 29.99 31.85 1kkr n HIS 96 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1kkr n ILE 97 N -1.94 0.75 -0.23 1.59 2.08 -0.59 -4.55 119.36 116.47 1kkr n ILE 97 Ca -0.05 -0.30 0.01 0.00 0.56 0.00 0.00 62.75 62.98 1kkr n ILE 97 Cb 0.38 -0.95 0.09 0.00 -0.75 0.00 0.00 39.64 38.41 1kkr n ILE 97 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1kkr h LYS 98 N 0.00 0.03 0.00 0.38 3.64 -1.37 0.13 116.57 119.38 1kkr h LYS 98 Ca -0.29 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1kkr h LYS 98 Cb 1.47 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1kkr h LYS 98 CO -0.04 0.02 0.17 -1.35 -2.27 0.00 0.00 179.45 175.98 1kkr h PRO 99 N 0.03 0.00 -0.01 1.90 0.11 -1.82 0.19 132.00 132.40 1kkr h PRO 99 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1kkr h PRO 99 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1kkr h PRO 99 CO -0.66 0.00 -0.37 1.28 -0.21 0.00 0.00 178.00 178.04 1kkr n LEU 100 N -2.85 1.77 -0.11 2.35 4.77 0.40 -4.61 117.00 118.73 1kkr n LEU 100 Ca -0.02 -0.62 -0.16 0.00 -0.03 0.00 0.00 56.01 55.18 1kkr n LEU 100 Cb 0.23 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 1kkr n LEU 100 CO 0.15 0.33 -1.20 0.18 -1.33 0.00 0.00 177.39 175.52 1kkr n LEU 101 N -0.13 2.79 -4.63 2.23 4.77 0.62 -4.59 117.00 118.06 1kkr n LEU 101 Ca 0.11 -0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 1kkr n LEU 101 Cb 0.44 -0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1kkr n LEU 101 CO 0.27 0.80 1.13 -1.61 -1.33 0.00 0.00 177.39 176.65 1kkr s GLU 102 N -2.42 3.96 0.00 3.23 2.02 -0.86 -0.81 118.70 123.82 1kkr s GLU 102 Ca -0.29 1.32 0.00 0.00 0.02 0.00 0.00 54.97 56.02 1kkr s GLU 102 Cb 0.08 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.44 1kkr s GLU 102 CO 0.47 -1.07 0.00 0.41 0.02 0.00 0.00 175.26 175.10 1kkr n GLY 103 N 4.22 0.19 3.74 -1.39 0.00 0.62 -4.96 105.19 107.62 1kkr n GLY 103 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1kkr n GLY 103 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kkr s ARG 104 N -0.97 4.53 0.17 1.61 3.52 0.01 -4.66 118.95 123.17 1kkr s ARG 104 Ca 0.00 1.86 -0.30 0.00 -0.13 0.00 0.00 55.73 57.15 1kkr s ARG 104 Cb 0.00 -3.22 -0.08 0.00 -1.56 0.00 0.00 34.95 30.09 1kkr s ARG 104 CO 0.00 0.00 1.29 0.34 -0.81 0.00 0.00 175.30 176.13 1kkr s ASP 105 N -0.19 6.94 -0.15 -2.12 2.15 -1.26 -1.18 116.67 120.86 1kkr s ASP 105 Ca 0.50 2.32 0.17 0.00 0.43 0.00 0.00 52.55 55.97 1kkr s ASP 105 Cb -0.32 -2.60 0.32 0.00 -0.30 0.00 0.00 42.92 40.01 1kkr s ASP 105 CO 0.38 -0.52 1.17 1.33 -0.17 0.00 0.00 175.17 177.36 1kkr n VAL 106 N 2.97 1.94 0.13 1.11 0.24 -1.26 -4.76 118.33 118.70 1kkr n VAL 106 Ca 0.07 -2.49 0.00 0.00 -2.04 0.00 0.00 64.34 59.89 1kkr n VAL 106 Cb 0.43 -0.22 0.29 0.00 -1.47 0.00 0.00 33.84 32.87 1kkr n VAL 106 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1kkr h ASP 107 N 0.26 0.14 -1.83 -1.34 3.32 -1.93 -3.31 116.42 111.73 1kkr h ASP 107 Ca -0.00 -0.05 -0.58 0.00 0.02 0.00 0.00 57.03 56.42 1kkr h ASP 107 Cb 1.01 -0.04 -0.10 0.00 0.22 0.00 0.00 39.33 40.42 1kkr h ASP 107 CO 0.00 0.50 -0.59 0.00 -1.72 0.00 0.00 179.24 177.44 1kkr s ALA 108 N -4.20 3.30 -0.20 3.45 0.00 -1.26 -4.95 121.76 117.89 1kkr s ALA 108 Ca -0.04 -2.02 -0.08 0.00 0.00 0.00 0.00 51.96 49.83 1kkr s ALA 108 Cb 0.14 -0.35 -0.09 0.00 0.00 0.00 0.00 23.12 22.82 1kkr s ALA 108 CO 0.75 -0.00 -0.24 0.34 0.00 0.00 0.00 175.76 176.61 1kkr n PHE 109 N -1.03 0.00 -0.17 0.00 7.35 -1.26 -4.75 117.46 117.60 1kkr n PHE 109 Ca -0.04 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.58 1kkr n PHE 109 Cb 0.63 -0.72 0.01 0.00 0.35 0.00 0.00 39.48 39.75 1kkr n PHE 109 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1kkr h LEU 110 N -0.57 0.62 -0.38 -2.13 5.85 -1.97 -1.54 115.31 115.20 1kkr h LEU 110 Ca -0.49 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.20 1kkr h LEU 110 Cb 1.49 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 42.27 1kkr h LEU 110 CO -0.26 0.56 -0.26 -0.65 -0.34 0.00 0.00 178.44 177.49 1kkr h PRO 111 N 0.64 -0.20 -0.45 5.25 0.11 -1.99 0.19 132.00 135.55 1kkr h PRO 111 Ca 0.17 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.32 1kkr h PRO 111 Cb 0.09 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 1kkr h PRO 111 CO -0.02 -0.13 0.26 -0.91 -0.21 0.00 0.00 178.00 176.99 1kkr h ASN 112 N -0.20 0.41 -0.12 -2.05 2.35 -1.77 0.17 115.58 114.37 1kkr h ASN 112 Ca 0.18 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.95 1kkr h ASN 112 Cb 0.49 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1kkr h ASN 112 CO -0.50 0.29 0.03 0.00 -1.65 0.00 0.00 177.43 175.61 1kkr h ALA 113 N 1.21 0.13 -0.65 -0.83 0.00 -0.29 -1.51 119.26 117.31 1kkr h ALA 113 Ca 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1kkr h ALA 113 Cb 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1kkr h ALA 113 CO -0.09 -0.42 0.25 0.00 0.00 0.00 0.00 179.25 178.99 1kkr h ARG 114 N 0.09 0.98 -0.17 0.00 3.08 -0.70 -0.30 114.38 117.37 1kkr h ARG 114 Ca 0.05 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1kkr h ARG 114 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1kkr h ARG 114 CO -0.06 0.83 0.10 0.35 -1.07 0.00 0.00 179.97 180.12 1kkr h PHE 115 N 0.93 0.22 0.00 3.04 3.57 -0.27 -1.95 116.94 122.48 1kkr h PHE 115 Ca 0.22 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 1kkr h PHE 115 Cb 0.22 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1kkr h PHE 115 CO 0.01 0.19 -0.32 0.74 -2.23 0.00 0.00 178.31 176.71 1kkr h PHE 116 N 0.19 0.00 0.00 0.41 0.04 -1.08 -1.87 116.94 114.64 1kkr h PHE 116 Ca 0.06 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 1kkr h PHE 116 Cb 0.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1kkr h PHE 116 CO -0.05 0.32 -0.25 0.22 -0.60 0.00 0.00 178.31 177.95 1kkr h ASP 117 N 0.00 0.00 0.00 2.17 3.58 -0.52 -3.12 116.42 118.53 1kkr h ASP 117 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1kkr h ASP 117 Cb 0.83 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.88 1kkr h ASP 117 CO 0.04 0.25 -0.92 0.29 -2.88 0.00 0.00 179.24 176.01 1kkr n LYS 118 N -3.32 1.54 -1.77 0.28 4.01 -0.78 -4.85 118.16 113.28 1kkr n LYS 118 Ca 0.01 -0.03 -0.41 0.00 -0.51 0.00 0.00 58.31 57.37 1kkr n LYS 118 Cb 0.49 -1.27 -0.00 0.00 -0.51 0.00 0.00 35.03 33.73 1kkr n LYS 118 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1kkr n LEU 119 N -1.49 4.69 -4.42 -0.35 7.94 -0.71 -4.96 117.00 117.69 1kkr n LEU 119 Ca 0.02 1.21 -0.32 0.00 -1.11 0.00 0.00 56.01 55.80 1kkr n LEU 119 Cb 0.28 -1.62 -0.14 0.00 0.53 0.00 0.00 43.42 42.47 1kkr n LEU 119 CO 0.33 0.17 -0.48 -0.13 -1.11 0.00 0.00 177.39 176.17 1kkr s ARG 120 N -1.65 2.54 -0.22 1.96 0.52 -1.26 -3.59 118.95 117.26 1kkr s ARG 120 Ca 0.56 -0.75 0.01 0.00 -0.52 0.00 0.00 55.73 55.04 1kkr s ARG 120 Cb -0.48 -2.33 0.04 0.00 0.52 0.00 0.00 34.95 32.69 1kkr s ARG 120 CO 0.59 0.55 -0.14 0.42 0.02 0.00 0.00 175.30 176.74 1kkr s ILE 121 N -0.55 2.23 -1.41 1.52 -1.09 0.01 -4.59 121.20 117.31 1kkr s ILE 121 Ca 0.07 -1.23 -0.05 0.00 -2.23 0.00 0.00 60.65 57.22 1kkr s ILE 121 Cb -0.11 -2.12 0.03 0.00 -1.58 0.00 0.00 42.46 38.68 1kkr s ILE 121 CO 0.01 0.26 0.71 0.47 -1.23 0.00 0.00 174.94 175.17 1kkr n ASP 122 N 4.55 -2.04 0.00 3.58 8.00 -1.26 -0.85 116.55 128.54 1kkr n ASP 122 Ca -0.18 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.46 1kkr n ASP 122 Cb 0.46 -3.70 0.00 0.00 -0.02 0.00 0.00 41.12 37.86 1kkr n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kkr n GLY 123 N -1.69 2.33 3.76 0.44 0.00 -1.26 -5.00 105.19 103.77 1kkr n GLY 123 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1kkr n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kkr s ASN 124 N -3.56 5.62 0.74 1.61 0.02 -0.03 -4.95 114.94 114.40 1kkr s ASN 124 Ca 0.00 0.21 -0.13 0.00 -1.02 0.00 0.00 52.86 51.92 1kkr s ASN 124 Cb 0.00 -1.64 0.05 0.00 0.02 0.00 0.00 41.25 39.67 1kkr s ASN 124 CO 0.00 0.35 1.14 -0.76 0.02 0.00 0.00 177.10 177.85 1kkr s LEU 125 N -1.22 3.21 0.50 0.60 1.43 -1.26 -0.81 118.68 121.13 1kkr s LEU 125 Ca 0.17 2.10 -0.21 0.00 -1.03 0.00 0.00 54.13 55.15 1kkr s LEU 125 Cb -0.12 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.48 1kkr s LEU 125 CO 0.07 -2.12 1.16 -0.76 0.23 0.00 0.00 176.35 174.93 1kkr s LEU 126 N -5.43 3.90 0.18 1.79 1.43 -1.24 -4.84 118.68 114.47 1kkr s LEU 126 Ca 0.68 2.28 -0.32 0.00 -1.03 0.00 0.00 54.13 55.74 1kkr s LEU 126 Cb -0.23 -4.38 -0.16 0.00 0.03 0.00 0.00 46.19 41.46 1kkr s LEU 126 CO 0.48 -1.08 1.14 1.57 0.23 0.00 0.00 176.35 178.69 1kkr n HIS 127 N -0.84 1.27 -0.32 0.29 -0.00 -1.26 -4.75 115.22 109.61 1kkr n HIS 127 Ca 0.09 0.69 0.18 0.00 -0.00 0.00 0.00 57.72 58.68 1kkr n HIS 127 Cb 0.49 -2.27 0.43 0.00 -0.00 0.00 0.00 29.99 28.64 1kkr n HIS 127 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1kkr h THR 128 N 2.59 0.63 -0.10 3.57 1.35 -1.93 0.73 112.91 119.75 1kkr h THR 128 Ca -0.43 -0.19 -0.05 0.00 -0.55 0.00 0.00 66.41 65.20 1kkr h THR 128 Cb 1.34 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1kkr h THR 128 CO 0.69 0.10 -0.15 0.00 -0.25 0.00 0.00 175.52 175.91 1kkr h ALA 129 N 1.63 1.57 0.11 6.62 0.00 -1.80 0.13 119.26 127.53 1kkr h ALA 129 Ca 0.56 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 55.07 1kkr h ALA 129 Cb 1.18 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.92 1kkr h ALA 129 CO -0.31 0.31 -0.89 0.28 0.00 0.00 0.00 179.25 178.64 1kkr h VAL 130 N 0.14 1.43 -0.45 0.00 2.07 -1.28 -1.80 116.25 116.37 1kkr h VAL 130 Ca 0.03 -2.42 -0.06 0.00 0.82 0.00 0.00 66.70 65.06 1kkr h VAL 130 Cb 0.36 2.95 -0.02 0.00 -1.52 0.00 0.00 31.29 33.06 1kkr h VAL 130 CO 0.02 0.70 0.02 0.03 0.02 0.00 0.00 177.57 178.36 1kkr h ARG 131 N -0.15 0.72 0.05 1.57 3.08 -0.57 -1.70 114.38 117.38 1kkr h ARG 131 Ca -0.14 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 1kkr h ARG 131 Cb 1.65 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.61 1kkr h ARG 131 CO 0.17 0.73 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.85 1kkr h TYR 132 N 0.68 -0.07 -0.11 3.04 3.20 -0.60 -2.63 116.97 120.48 1kkr h TYR 132 Ca 0.14 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1kkr h TYR 132 Cb 0.40 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1kkr h TYR 132 CO 0.02 0.09 0.04 0.78 -1.64 0.00 0.00 178.16 177.44 1kkr h GLY 133 N -0.21 0.19 0.73 1.82 0.00 -1.15 -1.79 103.07 102.67 1kkr h GLY 133 Ca -0.01 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.27 1kkr h GLY 133 CO 0.01 0.10 0.49 1.41 0.00 0.00 0.00 176.54 178.55 1kkr h LEU 134 N 0.01 0.76 -0.80 3.11 3.38 -1.41 -2.45 115.31 117.91 1kkr h LEU 134 Ca 0.04 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1kkr h LEU 134 Cb 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1kkr h LEU 134 CO -0.00 0.49 -0.17 0.77 0.09 0.00 0.00 178.44 179.63 1kkr h SER 135 N 0.90 0.72 -0.37 -0.43 4.64 -1.34 0.62 113.55 118.29 1kkr h SER 135 Ca 0.35 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1kkr h SER 135 Cb 0.15 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1kkr h SER 135 CO -0.17 0.89 0.24 1.56 -0.87 0.00 0.00 176.83 178.48 1kkr h GLN 136 N 0.64 0.49 -0.28 4.77 4.20 -0.96 -0.95 115.11 123.01 1kkr h GLN 136 Ca 0.10 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.67 1kkr h GLN 136 Cb 0.64 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1kkr h GLN 136 CO 0.05 0.34 -0.27 0.00 -0.67 0.00 0.00 178.83 178.27 1kkr h ALA 137 N 1.12 1.01 -0.22 3.87 0.00 -1.00 -1.02 119.26 123.02 1kkr h ALA 137 Ca 0.13 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1kkr h ALA 137 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1kkr h ALA 137 CO -0.03 0.59 -0.38 -0.07 0.00 0.00 0.00 179.25 179.36 1kkr h LEU 138 N 0.49 0.53 -0.24 0.00 3.38 -0.78 0.28 115.31 118.97 1kkr h LEU 138 Ca 0.07 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 1kkr h LEU 138 Cb 0.72 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1kkr h LEU 138 CO 0.06 0.86 -0.34 0.25 0.09 0.00 0.00 178.44 179.36 1kkr h LEU 139 N 0.42 0.70 -1.10 1.67 5.85 -0.84 -2.51 115.31 119.50 1kkr h LEU 139 Ca 0.04 -0.51 0.04 0.00 0.84 0.00 0.00 57.88 58.29 1kkr h LEU 139 Cb 0.86 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1kkr h LEU 139 CO 0.07 1.08 0.61 -0.78 -0.34 0.00 0.00 178.44 179.08 1kkr h ASP 140 N 0.35 0.99 -0.22 1.25 3.58 -0.93 -1.97 116.42 119.47 1kkr h ASP 140 Ca 0.02 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1kkr h ASP 140 Cb 0.92 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.73 1kkr h ASP 140 CO 0.08 0.67 0.10 0.00 -2.88 0.00 0.00 179.24 177.22 1kkr h ALA 141 N 1.46 0.28 -0.72 -0.78 0.00 -0.31 0.11 119.26 119.30 1kkr h ALA 141 Ca 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1kkr h ALA 141 Cb 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1kkr h ALA 141 CO -0.12 -0.16 0.46 1.15 0.00 0.00 0.00 179.25 180.58 1kkr h THR 142 N 0.22 1.19 0.44 0.00 2.02 -1.24 0.73 112.91 116.28 1kkr h THR 142 Ca 0.07 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 1kkr h THR 142 Cb 0.12 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1kkr h THR 142 CO -0.01 0.19 -0.36 0.00 0.37 0.00 0.00 175.52 175.72 1kkr h ALA 143 N 1.25 -0.82 0.00 6.16 0.00 -1.08 -2.95 119.26 121.81 1kkr h ALA 143 Ca 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1kkr h ALA 143 Cb -0.08 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1kkr h ALA 143 CO -0.05 -0.99 -0.15 -0.07 0.00 0.00 0.00 179.25 177.99 1kkr h LEU 144 N -0.80 0.00 -1.07 0.00 3.38 -0.70 -1.81 115.31 114.31 1kkr h LEU 144 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1kkr h LEU 144 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1kkr h LEU 144 CO -0.01 0.15 -0.06 0.00 0.09 0.00 0.00 178.44 178.61 1kkr h ALA 145 N 1.85 1.00 0.00 1.53 0.00 -0.74 -3.37 119.26 119.53 1kkr h ALA 145 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1kkr h ALA 145 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1kkr h ALA 145 CO 0.02 0.08 -0.10 -1.13 0.00 0.00 0.00 179.25 178.12 1kkr n SER 146 N -3.16 0.98 -1.17 0.00 3.41 -0.74 -5.00 113.62 107.95 1kkr n SER 146 Ca 0.01 -1.85 -0.14 0.00 -0.26 0.00 0.00 58.87 56.63 1kkr n SER 146 Cb 0.39 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.17 1kkr n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kkr n GLY 147 N -0.39 1.10 3.80 5.00 0.00 -0.87 -5.02 105.19 108.82 1kkr n GLY 147 Ca 0.03 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 1kkr n GLY 147 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kkr s ARG 148 N -3.49 2.89 0.51 1.61 0.52 -0.89 -5.06 118.95 115.04 1kkr s ARG 148 Ca 0.00 -0.98 -0.17 0.00 -0.52 0.00 0.00 55.73 54.06 1kkr s ARG 148 Cb 0.00 -2.59 -0.08 0.00 0.52 0.00 0.00 34.95 32.81 1kkr s ARG 148 CO 0.00 0.44 0.99 -0.51 0.02 0.00 0.00 175.30 176.24 1kkr s LEU 149 N -3.48 3.64 0.28 2.53 1.43 -1.26 -4.32 118.68 117.49 1kkr s LEU 149 Ca 0.32 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 1kkr s LEU 149 Cb -0.09 -4.51 0.51 0.00 0.03 0.00 0.00 46.19 42.14 1kkr s LEU 149 CO 0.24 -0.60 1.84 0.11 0.23 0.00 0.00 176.35 178.18 1kkr h LYS 150 N 0.95 1.00 -0.74 1.70 1.57 -1.93 -0.36 116.57 118.76 1kkr h LYS 150 Ca -0.47 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.23 1kkr h LYS 150 Cb 1.19 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 1kkr h LYS 150 CO 0.61 0.66 0.37 0.00 -0.57 0.00 0.00 179.45 180.52 1kkr h THR 151 N 1.03 1.23 -0.15 -0.16 1.03 -1.93 -1.99 112.91 111.96 1kkr h THR 151 Ca 0.48 -0.63 -0.09 0.00 -0.01 0.00 0.00 66.41 66.16 1kkr h THR 151 Cb 0.42 0.26 -0.01 0.00 -1.07 0.00 0.00 68.15 67.74 1kkr h THR 151 CO -0.25 0.27 -0.30 -0.33 -0.01 0.00 0.00 175.52 174.90 1kkr h GLU 152 N 1.05 0.30 -0.55 0.00 5.08 -1.43 -1.26 114.58 117.77 1kkr h GLU 152 Ca 0.26 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1kkr h GLU 152 Cb 0.08 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1kkr h GLU 152 CO -0.04 0.58 -0.02 0.28 -1.00 0.00 0.00 179.01 178.82 1kkr h VAL 153 N 0.26 1.27 -0.55 3.13 2.07 -0.82 0.28 116.25 121.88 1kkr h VAL 153 Ca 0.04 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.36 1kkr h VAL 153 Cb 0.67 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1kkr h VAL 153 CO 0.05 0.41 0.13 0.58 0.02 0.00 0.00 177.57 178.76 1kkr h VAL 154 N 0.87 1.25 -0.56 2.57 2.07 -1.10 -0.09 116.25 121.26 1kkr h VAL 154 Ca 0.16 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 1kkr h VAL 154 Cb 0.56 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1kkr h VAL 154 CO 0.03 0.33 0.11 0.00 0.02 0.00 0.00 177.57 178.06 1kkr h ASP 156 N 0.84 0.14 1.32 0.00 3.32 -0.21 0.65 116.42 122.48 1kkr h ASP 156 Ca 0.18 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1kkr h ASP 156 Cb 0.35 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1kkr h ASP 156 CO 0.00 0.57 0.00 -0.62 -1.72 0.00 0.00 179.24 177.47 1kkr n GLU 157 N -4.76 0.23 -0.04 3.56 1.02 -0.07 -2.58 120.64 118.01 1kkr n GLU 157 Ca -0.07 0.23 0.05 0.00 -0.02 0.00 0.00 57.16 57.34 1kkr n GLU 157 Cb 0.28 -1.79 0.06 0.00 -0.02 0.00 0.00 31.44 29.97 1kkr n GLU 157 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1kkr n TRP 158 N -2.20 0.10 -3.38 -0.32 8.01 -0.49 -5.02 117.44 114.15 1kkr n TRP 158 Ca 0.05 -0.13 -0.18 0.00 -1.31 0.00 0.00 57.50 55.93 1kkr n TRP 158 Cb 0.39 -0.01 0.07 0.00 -2.01 0.00 0.00 31.31 29.75 1kkr n TRP 158 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1kkr n GLN 159 N 0.47 -3.12 -4.30 -0.99 10.64 -0.14 -5.02 117.38 114.91 1kkr n GLN 159 Ca 0.06 0.79 -0.26 0.00 -1.83 0.00 0.00 57.00 55.77 1kkr n GLN 159 Cb 0.27 -5.56 -0.09 0.00 -0.86 0.00 0.00 30.24 24.00 1kkr n GLN 159 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1kkr s LEU 160 N -5.81 3.02 0.51 2.61 1.43 0.04 -5.04 118.68 115.43 1kkr s LEU 160 Ca 0.34 -0.61 0.30 0.00 -1.03 0.00 0.00 54.13 53.14 1kkr s LEU 160 Cb -0.06 -1.66 1.16 0.00 0.03 0.00 0.00 46.19 45.66 1kkr s LEU 160 CO 0.76 0.08 1.91 1.55 0.23 0.00 0.00 176.35 180.88 1kkr h PRO 161 N 2.64 0.00 -6.37 1.29 0.13 -1.89 -3.43 132.00 124.37 1kkr h PRO 161 Ca -0.46 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.19 1kkr h PRO 161 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1kkr h PRO 161 CO 0.56 0.07 -0.80 0.00 -0.23 0.00 0.00 178.00 177.60 1kkr s VAL 163 N -3.45 2.11 -0.84 0.00 1.01 -1.26 -4.83 120.40 113.14 1kkr s VAL 163 Ca 0.47 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.28 1kkr s VAL 163 Cb -0.24 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1kkr s VAL 163 CO 0.85 0.01 1.57 -2.84 0.00 0.00 0.00 175.10 174.69 1kkr s PRO 164 N 0.51 3.09 -0.05 2.72 0.02 -1.26 -4.91 135.00 135.12 1kkr s PRO 164 Ca 0.70 -0.37 -0.12 0.00 0.02 0.00 0.00 61.00 61.23 1kkr s PRO 164 Cb -0.48 -4.76 0.02 0.00 0.02 0.00 0.00 34.50 29.30 1kkr s PRO 164 CO 0.38 -2.52 0.28 -2.00 -0.33 0.00 0.00 177.00 172.81 1kkr s GLU 165 N 5.99 0.50 0.75 5.54 2.12 -1.26 -5.03 118.70 127.31 1kkr s GLU 165 Ca 0.51 0.04 -0.12 0.00 0.36 0.00 0.00 54.97 55.76 1kkr s GLU 165 Cb -0.06 0.23 0.05 0.00 0.26 0.00 0.00 34.13 34.60 1kkr s GLU 165 CO 0.05 -0.11 1.11 0.00 -0.54 0.00 0.00 175.26 175.77 1kkr s ALA 166 N -0.70 2.24 -0.10 6.30 0.00 -1.26 -4.95 121.76 123.29 1kkr s ALA 166 Ca -0.08 0.42 -0.00 0.00 0.00 0.00 0.00 51.96 52.30 1kkr s ALA 166 Cb -0.04 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1kkr s ALA 166 CO 0.02 -1.71 -0.07 0.42 0.00 0.00 0.00 175.76 174.42 1kkr s ILE 167 N -2.64 3.67 0.26 0.00 -1.09 -1.26 -5.10 121.20 115.03 1kkr s ILE 167 Ca 0.64 -0.47 -0.30 0.00 -2.23 0.00 0.00 60.65 58.29 1kkr s ILE 167 Cb -0.19 -2.53 -0.10 0.00 -1.58 0.00 0.00 42.46 38.05 1kkr s ILE 167 CO 0.51 0.56 1.50 -2.84 -1.23 0.00 0.00 174.94 173.44 1kkr s PRO 168 N -0.37 4.22 0.02 2.79 0.02 -1.26 -5.00 135.00 135.42 1kkr s PRO 168 Ca 0.05 2.40 0.01 0.00 0.02 0.00 0.00 61.00 63.48 1kkr s PRO 168 Cb -0.12 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 1kkr s PRO 168 CO 0.02 -0.50 0.09 -0.51 -0.33 0.00 0.00 177.00 175.77 1kkr s LEU 169 N -0.38 3.90 -0.15 -5.54 1.43 -1.26 -4.37 118.68 112.31 1kkr s LEU 169 Ca 0.61 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1kkr s LEU 169 Cb -0.44 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.43 1kkr s LEU 169 CO 0.45 0.24 -0.15 0.12 0.23 0.00 0.00 176.35 177.23 1kkr s PHE 170 N -1.27 2.26 0.18 0.29 5.36 -1.26 -1.55 117.98 121.99 1kkr s PHE 170 Ca 0.25 -1.29 -0.04 0.00 -0.96 0.00 0.00 56.93 54.90 1kkr s PHE 170 Cb -0.12 -1.64 -0.05 0.00 -0.34 0.00 0.00 43.02 40.86 1kkr s PHE 170 CO 0.17 -0.69 0.41 0.20 -1.46 0.00 0.00 175.22 173.85 1kkr s GLY 171 N 1.46 2.08 -0.11 13.12 0.00 -0.69 -0.76 107.32 122.41 1kkr s GLY 171 Ca 0.05 -0.62 0.03 0.00 0.00 0.00 0.00 44.72 44.18 1kkr s GLY 171 CO -0.11 -0.55 -0.21 -0.86 0.00 0.00 0.00 173.10 171.38 1kkr s GLN 172 N -2.94 2.78 0.00 2.90 -2.07 -1.26 -3.56 119.66 115.51 1kkr s GLN 172 Ca 0.41 -0.77 0.27 0.00 -1.82 0.00 0.00 55.36 53.44 1kkr s GLN 172 Cb -0.12 -2.20 0.78 0.00 -1.09 0.00 0.00 33.01 30.38 1kkr s GLN 172 CO 0.26 0.05 1.60 -1.13 -1.32 0.00 0.00 175.29 174.75 1kkr n SER 173 N 3.88 0.44 0.00 12.60 3.41 0.09 -4.67 113.62 129.37 1kkr n SER 173 Ca -0.20 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 1kkr n SER 173 Cb 0.52 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1kkr n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kkr n GLY 174 N 1.46 0.96 0.09 5.00 0.00 -1.26 -2.76 105.19 108.68 1kkr n GLY 174 Ca 0.08 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.55 1kkr n GLY 174 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kkr n ASP 175 N -3.23 0.50 -2.82 1.61 8.00 -1.26 -3.99 116.55 115.36 1kkr n ASP 175 Ca 0.00 0.60 -0.27 0.00 0.71 0.00 0.00 54.79 55.83 1kkr n ASP 175 Cb 0.00 -0.72 -0.08 0.00 -0.02 0.00 0.00 41.12 40.31 1kkr n ASP 175 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1kkr n ASP 176 N -2.03 6.99 0.00 -2.24 -0.08 -1.11 -4.69 116.55 113.40 1kkr n ASP 176 Ca 0.03 -2.49 0.08 0.00 -1.51 0.00 0.00 54.79 50.91 1kkr n ASP 176 Cb 0.26 -1.43 0.37 0.00 2.34 0.00 0.00 41.12 42.66 1kkr n ASP 176 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1kkr n ARG 177 N 3.24 0.03 -0.10 -0.67 1.85 -1.26 -2.05 116.66 117.71 1kkr n ARG 177 Ca 0.61 0.20 -0.13 0.00 -1.00 0.00 0.00 57.85 57.53 1kkr n ARG 177 Cb 0.46 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.32 1kkr n ARG 177 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1kkr n TYR 178 N -1.47 0.31 -0.23 2.89 4.01 -1.26 -4.30 117.16 117.10 1kkr n TYR 178 Ca 0.05 0.13 -0.06 0.00 -0.16 0.00 0.00 57.90 57.86 1kkr n TYR 178 Cb 0.19 -0.71 0.04 0.00 -0.31 0.00 0.00 39.34 38.55 1kkr n TYR 178 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1kkr h ILE 179 N -1.00 1.21 0.00 -0.72 1.08 -1.94 -2.66 117.51 113.47 1kkr h ILE 179 Ca -0.16 -0.53 -0.05 0.00 -0.39 0.00 0.00 64.86 63.72 1kkr h ILE 179 Cb 1.03 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 1kkr h ILE 179 CO -0.10 0.23 -0.25 0.00 -0.69 0.00 0.00 178.15 177.34 1kkr h ALA 180 N 1.16 1.46 -0.56 1.87 0.00 -1.69 -1.48 119.26 120.02 1kkr h ALA 180 Ca 0.22 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kkr h ALA 180 Cb 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1kkr h ALA 180 CO -0.03 0.31 0.35 0.28 0.00 0.00 0.00 179.25 180.16 1kkr h VAL 181 N 0.00 1.16 -0.80 0.00 2.07 -1.66 -2.77 116.25 114.25 1kkr h VAL 181 Ca -0.00 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1kkr h VAL 181 Cb 0.48 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1kkr h VAL 181 CO 0.03 0.16 0.35 0.44 0.02 0.00 0.00 177.57 178.58 1kkr h ASP 182 N 0.76 1.07 0.00 0.57 3.32 -1.17 -1.63 116.42 119.34 1kkr h ASP 182 Ca 0.20 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1kkr h ASP 182 Cb -0.04 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.23 1kkr h ASP 182 CO -0.04 0.93 0.00 0.29 -1.72 0.00 0.00 179.24 178.70 1kkr n LYS 183 N -4.29 0.00 0.00 3.56 5.02 -1.05 -0.85 118.16 120.56 1kkr n LYS 183 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1kkr n LYS 183 Cb 0.16 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 1kkr n LYS 183 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1kkr n ILE 185 N 0.10 0.00 0.21 -0.18 5.41 -0.61 -0.93 119.36 123.36 1kkr n ILE 185 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.82 1kkr n ILE 185 Cb 0.00 0.00 0.48 0.00 -0.71 0.00 0.00 39.64 39.41 1kkr n ILE 185 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1kkr h LEU 186 N 0.00 0.00 -3.17 1.39 3.38 -1.25 -2.14 115.31 113.52 1kkr h LEU 186 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kkr h LEU 186 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1kkr h LEU 186 CO 0.00 0.27 0.00 0.29 0.09 0.00 0.00 178.44 179.09 1kkr n LYS 187 N -3.84 4.09 -3.49 1.13 5.02 -0.10 -4.98 118.16 115.98 1kkr n LYS 187 Ca -0.02 -2.84 -0.26 0.00 -2.02 0.00 0.00 58.31 53.17 1kkr n LYS 187 Cb 0.36 -2.03 0.02 0.00 -0.02 0.00 0.00 35.03 33.36 1kkr n LYS 187 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kkr n GLY 188 N 0.89 -0.50 3.78 0.72 0.00 -0.81 -4.92 105.19 104.35 1kkr n GLY 188 Ca 0.25 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 1kkr n GLY 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kkr s VAL 189 N -3.14 3.50 0.11 1.61 1.01 -1.26 -4.92 120.40 117.30 1kkr s VAL 189 Ca 0.48 1.05 -0.12 0.00 0.00 0.00 0.00 61.98 63.40 1kkr s VAL 189 Cb -0.24 -3.49 -0.16 0.00 0.00 0.00 0.00 36.38 32.49 1kkr s VAL 189 CO 0.60 -0.09 1.30 0.44 0.00 0.00 0.00 175.10 177.35 1kkr h ASP 190 N 1.92 0.89 -3.81 3.32 3.32 -1.90 -3.45 116.42 116.73 1kkr h ASP 190 Ca -0.49 -0.61 -0.26 0.00 0.02 0.00 0.00 57.03 55.69 1kkr h ASP 190 Cb 1.23 -0.27 -0.28 0.00 0.22 0.00 0.00 39.33 40.24 1kkr h ASP 190 CO 0.60 1.40 -0.73 -0.69 -1.72 0.00 0.00 179.24 178.10 1kkr s VAL 191 N -3.67 0.14 0.20 -1.35 1.01 -0.60 -1.68 120.40 114.45 1kkr s VAL 191 Ca -0.10 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.56 1kkr s VAL 191 Cb 0.09 -0.13 0.05 0.00 0.00 0.00 0.00 36.38 36.39 1kkr s VAL 191 CO 0.90 0.03 0.72 -1.48 0.00 0.00 0.00 175.10 175.27 1kkr s LEU 192 N -0.07 -0.37 -0.07 3.92 2.34 -0.59 -1.71 118.68 122.12 1kkr s LEU 192 Ca 0.00 -0.31 0.11 0.00 0.06 0.00 0.00 54.13 54.00 1kkr s LEU 192 Cb -0.01 2.55 0.18 0.00 -0.56 0.00 0.00 46.19 48.35 1kkr s LEU 192 CO -0.00 -1.09 1.09 -0.81 -1.06 0.00 0.00 176.35 174.48 1kkr n PRO 193 N -0.41 0.72 0.00 1.48 -0.04 -1.19 0.14 135.00 135.70 1kkr n PRO 193 Ca -0.09 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.43 1kkr n PRO 193 Cb 0.62 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 1kkr n PRO 193 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1kkr n HIS 194 N -0.76 0.00 -0.46 0.54 -0.00 0.48 -0.73 115.22 114.29 1kkr n HIS 194 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 1kkr n HIS 194 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.67 1kkr n HIS 194 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1kkr n ALA 195 N 0.00 0.00 -4.06 1.57 0.00 -1.26 -1.64 120.51 115.12 1kkr n ALA 195 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1kkr n ALA 195 Cb 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 19.45 19.30 1kkr n ALA 195 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1kkr n LEU 196 N 0.00 -0.16 -4.33 0.00 7.94 -1.26 -4.73 117.00 114.47 1kkr n LEU 196 Ca 0.00 -1.23 -0.43 0.00 -1.11 0.00 0.00 56.01 53.24 1kkr n LEU 196 Cb 0.00 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.46 1kkr n LEU 196 CO 0.00 0.77 1.67 -0.38 -1.11 0.00 0.00 177.39 178.34 1kkr n ILE 197 N -4.76 4.19 -0.91 1.96 2.08 -0.78 -4.72 119.36 116.42 1kkr n ILE 197 Ca -0.11 -4.49 0.08 0.00 0.56 0.00 0.00 62.75 58.79 1kkr n ILE 197 Cb 0.53 -2.43 0.21 0.00 -0.75 0.00 0.00 39.64 37.20 1kkr n ILE 197 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1kkr n ASN 198 N 5.72 3.35 -3.72 4.38 6.94 -1.26 -3.92 115.26 126.75 1kkr n ASN 198 Ca 0.40 -2.92 -0.12 0.00 -0.02 0.00 0.00 54.58 51.93 1kkr n ASN 198 Cb 0.42 -0.47 -0.12 0.00 -2.36 0.00 0.00 39.78 37.25 1kkr n ASN 198 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1kkr s ASN 199 N -2.06 -0.39 0.07 0.53 3.84 -1.26 -4.99 114.94 110.68 1kkr s ASN 199 Ca 0.37 0.71 -0.34 0.00 0.21 0.00 0.00 52.86 53.80 1kkr s ASN 199 Cb 0.30 0.60 -0.19 0.00 -0.55 0.00 0.00 41.25 41.41 1kkr s ASN 199 CO 0.08 -0.17 1.61 0.58 -2.79 0.00 0.00 177.10 176.40 1kkr h VAL 200 N 5.59 0.23 -0.38 -5.21 2.07 -1.92 -1.59 116.25 115.05 1kkr h VAL 200 Ca -0.37 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.19 1kkr h VAL 200 Cb 1.17 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1kkr h VAL 200 CO 0.33 0.00 0.15 -0.33 0.02 0.00 0.00 177.57 177.74 1kkr h GLU 201 N -1.02 0.31 0.00 1.57 3.07 -1.97 0.26 114.58 116.80 1kkr h GLU 201 Ca -0.10 -0.02 -0.23 0.00 -0.50 0.00 0.00 59.36 58.51 1kkr h GLU 201 Cb 0.79 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.59 1kkr h GLU 201 CO 0.15 0.21 -1.85 0.39 -1.40 0.00 0.00 179.01 176.50 1kkr n GLU 202 N -4.98 0.65 -0.06 2.33 -0.58 -1.25 -4.46 120.64 112.29 1kkr n GLU 202 Ca 0.02 0.10 -0.13 0.00 -0.42 0.00 0.00 57.16 56.73 1kkr n GLU 202 Cb 0.12 -1.67 -0.05 0.00 -0.57 0.00 0.00 31.44 29.27 1kkr n GLU 202 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1kkr n LYS 203 N -2.78 0.29 0.02 3.49 5.02 -0.64 -4.76 118.16 118.81 1kkr n LYS 203 Ca -0.17 0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 56.01 1kkr n LYS 203 Cb 0.94 -1.05 -0.14 0.00 -0.02 0.00 0.00 35.03 34.75 1kkr n LYS 203 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1kkr h LEU 204 N -0.33 0.43 0.00 -0.35 5.85 -1.37 -3.15 115.31 116.38 1kkr h LEU 204 Ca -0.32 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.53 1kkr h LEU 204 Cb 1.33 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1kkr h LEU 204 CO -0.16 1.63 0.00 0.61 -0.34 0.00 0.00 178.44 180.18 1kkr n GLY 205 N 1.75 1.70 0.27 3.75 0.00 0.90 -1.59 105.19 111.97 1kkr n GLY 205 Ca -0.24 -1.64 0.10 0.00 0.00 0.00 0.00 46.02 44.24 1kkr n GLY 205 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1kkr h PHE 206 N 0.00 0.00 -0.09 1.61 0.04 -1.87 -2.22 116.94 114.40 1kkr h PHE 206 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1kkr h PHE 206 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1kkr h PHE 206 CO 0.00 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 179.34 1kkr n LYS 207 N -4.34 2.43 -1.01 1.51 4.76 -1.26 -4.83 118.16 115.43 1kkr n LYS 207 Ca -0.03 -2.12 -0.00 0.00 -2.87 0.00 0.00 58.31 53.29 1kkr n LYS 207 Cb 0.09 -1.32 -0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1kkr n LYS 207 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1kkr n GLY 208 N -0.63 0.47 0.12 0.72 0.00 -0.84 -4.92 105.19 100.11 1kkr n GLY 208 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 1kkr n GLY 208 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1kkr h GLU 209 N 0.78 0.00 -0.19 1.61 9.09 -1.80 -1.59 114.58 122.49 1kkr h GLU 209 Ca -0.00 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.32 1kkr h GLU 209 Cb 0.05 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.15 1kkr h GLU 209 CO 0.01 0.72 -0.22 0.87 0.05 0.00 0.00 179.01 180.43 1kkr h LYS 210 N 0.00 0.48 -0.79 1.06 1.57 -1.59 -1.27 116.57 116.04 1kkr h LYS 210 Ca -0.01 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1kkr h LYS 210 Cb 1.27 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.56 1kkr h LYS 210 CO 0.09 0.85 0.45 1.25 -0.57 0.00 0.00 179.45 181.52 1kkr h LEU 211 N 0.14 0.97 -0.26 2.94 5.85 -1.25 0.44 115.31 124.13 1kkr h LEU 211 Ca 0.02 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1kkr h LEU 211 Cb 0.78 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1kkr h LEU 211 CO 0.05 0.77 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.74 1kkr h ARG 212 N 1.08 -0.05 -0.01 1.25 2.43 -1.19 0.20 114.38 118.09 1kkr h ARG 212 Ca 0.28 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.35 1kkr h ARG 212 Cb 0.00 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1kkr h ARG 212 CO -0.05 -0.03 -0.47 0.93 -1.51 0.00 0.00 179.97 178.84 1kkr h GLU 213 N -0.05 0.03 -0.26 0.20 5.08 -0.63 -2.80 114.58 116.15 1kkr h GLU 213 Ca 0.13 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1kkr h GLU 213 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1kkr h GLU 213 CO -0.30 0.50 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.15 1kkr h TYR 214 N 0.03 0.65 -0.97 4.33 3.20 0.78 -1.82 116.97 123.17 1kkr h TYR 214 Ca -0.00 -0.17 0.08 0.00 3.14 0.00 0.00 58.73 61.78 1kkr h TYR 214 Cb 0.84 -0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.89 1kkr h TYR 214 CO 0.00 0.82 0.63 0.28 -1.64 0.00 0.00 178.16 178.25 1kkr h VAL 215 N 0.29 1.03 -0.47 1.81 2.07 -0.43 0.28 116.25 120.84 1kkr h VAL 215 Ca 0.06 -0.37 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 1kkr h VAL 215 Cb 0.66 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1kkr h VAL 215 CO 0.04 0.20 -0.23 -0.09 0.02 0.00 0.00 177.57 177.51 1kkr h ARG 216 N 1.08 0.99 -0.51 1.57 9.65 -1.38 -1.19 114.38 124.59 1kkr h ARG 216 Ca 0.44 -0.43 0.03 0.00 -1.10 0.00 0.00 59.98 58.92 1kkr h ARG 216 Cb 0.27 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.78 1kkr h ARG 216 CO -0.19 1.10 0.28 2.35 2.80 0.00 0.00 179.97 186.32 1kkr h TRP 217 N 0.84 0.52 -0.19 2.20 7.01 -0.41 -1.14 115.95 124.79 1kkr h TRP 217 Ca 0.11 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 1kkr h TRP 217 Cb 0.81 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.70 1kkr h TRP 217 CO 0.05 0.28 0.01 1.25 -2.79 0.00 0.00 178.44 177.24 1kkr h LEU 218 N 0.56 0.32 -0.51 0.65 5.85 -0.64 0.16 115.31 121.69 1kkr h LEU 218 Ca 0.21 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1kkr h LEU 218 Cb 0.07 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1kkr h LEU 218 CO -0.12 0.54 0.12 0.77 -0.34 0.00 0.00 178.44 179.41 1kkr h SER 219 N 0.09 0.78 -0.71 1.25 4.64 -1.23 -0.74 113.55 117.63 1kkr h SER 219 Ca 0.05 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 1kkr h SER 219 Cb 0.37 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.22 1kkr h SER 219 CO 0.01 0.81 0.42 0.44 -0.87 0.00 0.00 176.83 177.64 1kkr h ASP 220 N 0.71 0.86 -0.22 4.97 3.32 -1.10 -1.32 116.42 123.64 1kkr h ASP 220 Ca 0.16 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1kkr h ASP 220 Cb 0.34 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1kkr h ASP 220 CO 0.00 0.68 0.13 -0.09 -1.72 0.00 0.00 179.24 178.24 1kkr h ARG 221 N 0.97 0.30 0.10 3.56 9.65 -0.08 0.37 114.38 129.26 1kkr h ARG 221 Ca 0.25 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 59.11 1kkr h ARG 221 Cb -0.01 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 1kkr h ARG 221 CO -0.05 0.26 -0.17 0.82 2.80 0.00 0.00 179.97 183.63 1kkr h ILE 222 N 0.26 0.61 0.00 1.20 2.04 -1.04 0.36 117.51 120.95 1kkr h ILE 222 Ca 0.08 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.88 1kkr h ILE 222 Cb 0.04 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1kkr h ILE 222 CO -0.01 0.00 -0.26 -0.07 0.00 0.00 0.00 178.15 177.81 1kkr h LEU 223 N -0.34 0.00 0.06 1.44 3.38 -0.85 -1.68 115.31 117.33 1kkr h LEU 223 Ca 0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1kkr h LEU 223 Cb 0.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1kkr h LEU 223 CO -0.09 0.26 -0.47 -1.28 0.09 0.00 0.00 178.44 176.95 1kkr h SER 224 N 0.00 0.21 1.32 -0.43 0.87 0.14 -3.39 113.55 112.27 1kkr h SER 224 Ca -0.00 -0.95 -0.09 0.00 -1.23 0.00 0.00 61.79 59.52 1kkr h SER 224 Cb 0.52 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1kkr h SER 224 CO 0.03 1.22 -0.41 -0.07 -0.53 0.00 0.00 176.83 177.07 1kkr h LEU 225 N -0.71 0.00-10.16 2.23 -0.00 -0.16 -3.47 115.31 103.05 1kkr h LEU 225 Ca -0.09 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.27 1kkr h LEU 225 Cb 1.32 0.00 0.11 0.00 -0.00 0.00 0.00 40.66 42.09 1kkr h LEU 225 CO 0.05 0.41 0.40 0.00 -0.00 0.00 0.00 178.44 179.31 1kkr s ARG 226 N -3.19 2.74 0.23 1.13 1.70 -0.64 -4.95 118.95 115.96 1kkr s ARG 226 Ca 0.03 1.60 0.15 0.00 -0.47 0.00 0.00 55.73 57.04 1kkr s ARG 226 Cb 0.08 -1.92 0.01 0.00 -0.57 0.00 0.00 34.95 32.55 1kkr s ARG 226 CO 0.71 -1.34 1.31 0.66 -1.08 0.00 0.00 175.30 175.56 1kkr h SER 227 N 0.27 0.00 -5.24 -2.89 4.64 -1.90 -3.47 113.55 104.95 1kkr h SER 227 Ca -0.48 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.78 1kkr h SER 227 Cb 1.27 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.27 1kkr h SER 227 CO 0.53 0.53 -0.11 -0.94 -0.87 0.00 0.00 176.83 175.98 1kkr s SER 228 N -6.32 -0.08 0.00 4.97 1.04 -1.26 -5.01 113.70 107.05 1kkr s SER 228 Ca 0.02 -0.93 0.14 0.00 0.48 0.00 0.00 55.95 55.67 1kkr s SER 228 Cb 0.08 0.60 0.72 0.00 0.10 0.00 0.00 66.02 67.52 1kkr s SER 228 CO 0.76 -1.16 1.40 -2.65 0.98 0.00 0.00 173.24 172.58 1kkr n PRO 229 N -0.39 0.19 0.27 4.02 -0.02 -1.26 -2.36 135.00 135.45 1kkr n PRO 229 Ca -0.02 0.16 0.15 0.00 -2.02 0.00 0.00 63.50 61.77 1kkr n PRO 229 Cb 0.62 -1.50 0.76 0.00 -0.02 0.00 0.00 33.50 33.36 1kkr n PRO 229 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kkr h ARG 230 N 0.00 0.00 -5.80 -0.52 3.08 -2.00 -3.38 114.38 105.76 1kkr h ARG 230 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1kkr h ARG 230 Cb 0.15 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.07 1kkr h ARG 230 CO 0.00 0.08 0.56 -0.47 -1.07 0.00 0.00 179.97 179.08 1kkr s TYR 231 N -3.97 2.77 -0.48 3.04 5.04 -1.00 -4.93 117.35 117.83 1kkr s TYR 231 Ca -0.02 -0.10 0.07 0.00 -2.44 0.00 0.00 57.07 54.58 1kkr s TYR 231 Cb 0.12 -4.11 0.23 0.00 0.35 0.00 0.00 41.96 38.55 1kkr s TYR 231 CO 0.55 -1.40 0.54 1.58 -1.34 0.00 0.00 175.55 175.47 1kkr n HIS 232 N 7.52 0.76 -1.40 4.97 -0.00 -1.26 -4.99 115.22 120.81 1kkr n HIS 232 Ca 0.01 -3.71 -0.29 0.00 -0.00 0.00 0.00 57.72 53.72 1kkr n HIS 232 Cb 0.47 -0.30 0.14 0.00 -0.00 0.00 0.00 29.99 30.29 1kkr n HIS 232 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1kkr s PRO 233 N -1.27 1.18 -0.05 1.57 0.04 -1.26 -4.97 135.00 130.25 1kkr s PRO 233 Ca 0.35 0.49 -0.12 0.00 0.04 0.00 0.00 61.00 61.76 1kkr s PRO 233 Cb 0.12 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 1kkr s PRO 233 CO -0.11 -2.21 0.32 0.99 0.04 0.00 0.00 177.00 176.03 1kkr s THR 234 N -3.13 5.20 -0.07 1.26 2.01 -0.68 -4.32 115.64 115.91 1kkr s THR 234 Ca 0.63 0.63 -0.16 0.00 0.31 0.00 0.00 61.69 63.10 1kkr s THR 234 Cb -0.16 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1kkr s THR 234 CO 0.55 0.58 0.42 -0.76 -0.69 0.00 0.00 174.62 174.72 1kkr s LEU 235 N -0.95 4.36 -0.18 4.42 1.43 0.13 -1.55 118.68 126.35 1kkr s LEU 235 Ca 0.21 0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 54.09 1kkr s LEU 235 Cb -0.15 -2.60 0.07 0.00 0.03 0.00 0.00 46.19 43.53 1kkr s LEU 235 CO 0.10 0.15 0.12 -2.28 0.23 0.00 0.00 176.35 174.67 1kkr s HIS 236 N -0.13 0.08 -0.07 0.29 2.46 0.12 -0.74 115.29 117.31 1kkr s HIS 236 Ca 0.24 -0.18 0.05 0.00 0.47 0.00 0.00 55.06 55.63 1kkr s HIS 236 Cb -0.15 -0.61 -0.00 0.00 -0.13 0.00 0.00 32.58 31.68 1kkr s HIS 236 CO 0.11 -0.53 -0.22 0.42 -2.47 0.00 0.00 174.74 172.05 1kkr s ILE 237 N 2.18 1.87 -0.25 0.89 1.01 -0.43 -0.39 121.20 126.08 1kkr s ILE 237 Ca 0.03 -0.94 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 1kkr s ILE 237 Cb -0.16 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 1kkr s ILE 237 CO -0.10 0.52 0.08 -0.62 0.00 0.00 0.00 174.94 174.82 1kkr s ASP 238 N 0.12 5.21 0.00 3.58 -1.08 -0.65 -0.22 116.67 123.64 1kkr s ASP 238 Ca -0.10 -0.19 0.17 0.00 -0.52 0.00 0.00 52.55 51.91 1kkr s ASP 238 Cb -0.15 -1.94 0.44 0.00 -1.46 0.00 0.00 42.92 39.81 1kkr s ASP 238 CO 0.05 -0.03 1.36 1.33 0.52 0.00 0.00 175.17 178.39 1kkr n VAL 239 N 4.92 0.87 -4.13 1.11 0.24 -0.72 -1.87 118.33 118.75 1kkr n VAL 239 Ca -0.16 -0.93 -0.35 0.00 -2.04 0.00 0.00 64.34 60.86 1kkr n VAL 239 Cb 0.51 0.61 -0.04 0.00 -1.47 0.00 0.00 33.84 33.46 1kkr n VAL 239 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1kkr n TYR 240 N 1.08 -1.42 -0.89 6.34 4.02 -1.22 -0.49 117.16 124.56 1kkr n TYR 240 Ca 0.17 0.46 0.00 0.00 -0.01 0.00 0.00 57.90 58.52 1kkr n TYR 240 Cb 0.52 -3.03 0.00 0.00 -0.02 0.00 0.00 39.34 36.81 1kkr n TYR 240 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1kkr n GLY 241 N -2.25 0.40 0.18 2.72 0.00 0.15 -4.88 105.19 101.51 1kkr n GLY 241 Ca -0.24 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.83 1kkr n GLY 241 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1kkr h THR 242 N 0.00 0.89 -0.38 2.61 1.35 -0.90 -2.81 112.91 113.67 1kkr h THR 242 Ca 0.00 -1.58 -0.12 0.00 -0.55 0.00 0.00 66.41 64.15 1kkr h THR 242 Cb 0.24 1.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 1kkr h THR 242 CO 0.00 0.38 -0.26 0.40 -0.25 0.00 0.00 175.52 175.79 1kkr h ILE 243 N 0.00 1.27 -0.96 6.82 2.04 -1.73 -2.34 117.51 122.63 1kkr h ILE 243 Ca -0.00 -1.39 0.01 0.00 1.00 0.00 0.00 64.86 64.47 1kkr h ILE 243 Cb 0.94 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 1kkr h ILE 243 CO 0.05 0.46 0.63 1.23 0.00 0.00 0.00 178.15 180.52 1kkr h GLY 244 N 0.95 1.35 0.86 5.37 0.00 -0.93 -2.66 103.07 108.00 1kkr h GLY 244 Ca 0.09 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1kkr h GLY 244 CO 0.07 0.50 -0.05 1.41 0.00 0.00 0.00 176.54 178.47 1kkr h LEU 245 N 1.30 -0.11 -0.02 3.11 3.38 -1.32 -0.65 115.31 120.99 1kkr h LEU 245 Ca 0.35 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1kkr h LEU 245 Cb -0.14 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1kkr h LEU 245 CO -0.07 0.05 0.00 2.30 0.09 0.00 0.00 178.44 180.81 1kkr n ILE 246 N -5.08 0.65 -0.23 1.22 -5.35 -0.92 -2.37 119.36 107.28 1kkr n ILE 246 Ca -0.08 0.16 0.05 0.00 -0.27 0.00 0.00 62.75 62.61 1kkr n ILE 246 Cb 0.13 -0.83 0.15 0.00 -1.74 0.00 0.00 39.64 37.35 1kkr n ILE 246 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1kkr n PHE 247 N -1.53 0.45 0.00 4.28 3.72 -1.01 -4.97 117.46 118.40 1kkr n PHE 247 Ca 0.05 -0.53 0.00 0.00 -0.05 0.00 0.00 57.45 56.91 1kkr n PHE 247 Cb 0.23 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1kkr n PHE 247 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1kkr n ASP 248 N 0.31 0.00 0.00 4.37 4.64 -0.27 -4.86 116.55 120.74 1kkr n ASP 248 Ca 0.11 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.52 1kkr n ASP 248 Cb 0.45 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.53 1kkr n ASP 248 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1kkr n ASP 250 N 0.00 0.00 0.10 1.67 -0.08 -1.26 -5.02 116.55 111.95 1kkr n ASP 250 Ca 0.00 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.26 1kkr n ASP 250 Cb 0.00 0.00 0.23 0.00 2.34 0.00 0.00 41.12 43.69 1kkr n ASP 250 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1kkr h PRO 251 N 0.00 0.24 -0.69 -0.67 0.13 -1.95 -1.06 132.00 128.00 1kkr h PRO 251 Ca 0.00 -0.11 -0.07 0.00 -0.87 0.00 0.00 66.00 64.95 1kkr h PRO 251 Cb 0.00 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1kkr h PRO 251 CO 0.00 0.60 0.15 0.28 -0.23 0.00 0.00 178.00 178.80 1kkr h VAL 252 N 0.20 1.26 -0.21 1.56 2.07 -1.95 -1.72 116.25 117.46 1kkr h VAL 252 Ca 0.02 -0.98 -0.15 0.00 0.82 0.00 0.00 66.70 66.41 1kkr h VAL 252 Cb 0.79 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1kkr h VAL 252 CO 0.06 0.37 -0.49 0.03 0.02 0.00 0.00 177.57 177.56 1kkr h ARG 253 N 1.04 0.57 0.30 1.57 3.08 -1.86 -1.53 114.38 117.54 1kkr h ARG 253 Ca 0.21 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1kkr h ARG 253 Cb 0.38 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1kkr h ARG 253 CO 0.00 0.93 -0.18 0.00 -1.07 0.00 0.00 179.97 179.66 1kkr h ALA 255 N 0.24 0.78 -0.21 0.00 0.00 -1.26 0.35 119.26 119.15 1kkr h ALA 255 Ca -0.03 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1kkr h ALA 255 Cb 0.37 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1kkr h ALA 255 CO 0.03 -0.20 0.12 1.49 0.00 0.00 0.00 179.25 180.69 1kkr h GLU 256 N 0.40 0.30 -0.94 0.00 4.81 -0.86 0.10 114.58 118.39 1kkr h GLU 256 Ca 0.31 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1kkr h GLU 256 Cb 0.39 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 1kkr h GLU 256 CO -0.32 0.28 0.61 -0.92 -0.73 0.00 0.00 179.01 177.94 1kkr h TYR 257 N 0.24 1.19 -0.39 0.92 3.20 -0.33 -2.31 116.97 119.48 1kkr h TYR 257 Ca 0.08 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 1kkr h TYR 257 Cb 0.07 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 1kkr h TYR 257 CO -0.04 0.75 -0.10 0.82 -1.64 0.00 0.00 178.16 177.96 1kkr h ILE 258 N 1.27 1.28 -0.41 1.81 2.04 0.02 -3.01 117.51 120.50 1kkr h ILE 258 Ca 0.34 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 1kkr h ILE 258 Cb -0.13 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1kkr h ILE 258 CO -0.07 0.39 0.14 0.00 0.00 0.00 0.00 178.15 178.61 1kkr h ALA 259 N 0.84 1.48 0.00 1.87 0.00 -0.69 -1.28 119.26 121.47 1kkr h ALA 259 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kkr h ALA 259 Cb 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1kkr h ALA 259 CO 0.04 0.39 0.00 0.66 0.00 0.00 0.00 179.25 180.34 1kkr h SER 260 N 0.58 0.00 1.47 0.00 4.64 -1.29 -2.18 113.55 116.77 1kkr h SER 260 Ca 0.14 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1kkr h SER 260 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1kkr h SER 260 CO -0.01 0.00 -0.02 -0.07 -0.87 0.00 0.00 176.83 175.86 1kkr h LEU 261 N 0.00 0.00 -0.75 5.97 3.38 -1.18 -3.30 115.31 119.44 1kkr h LEU 261 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1kkr h LEU 261 Cb 0.27 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 1kkr h LEU 261 CO 0.00 0.02 0.34 -0.08 0.09 0.00 0.00 178.44 178.81 1kkr h GLU 262 N 0.00 0.51 -1.00 1.13 4.81 -1.52 0.43 114.58 118.93 1kkr h GLU 262 Ca -0.00 -0.03 0.20 0.00 -0.13 0.00 0.00 59.36 59.40 1kkr h GLU 262 Cb 0.76 -0.12 -0.11 0.00 0.63 0.00 0.00 28.75 29.92 1kkr h GLU 262 CO 0.00 0.34 0.61 0.87 -0.73 0.00 0.00 179.01 180.10 1kkr h LYS 263 N 0.53 0.72 0.00 1.92 1.57 -1.77 -1.24 116.57 118.29 1kkr h LYS 263 Ca 0.40 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1kkr h LYS 263 Cb 0.54 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1kkr h LYS 263 CO -0.35 0.48 0.00 0.93 -0.57 0.00 0.00 179.45 179.94 1kkr h GLU 264 N 0.74 0.00 0.00 3.15 4.39 -0.33 -3.11 114.58 119.42 1kkr h GLU 264 Ca 0.59 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.29 1kkr h GLU 264 Cb 0.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1kkr h GLU 264 CO -0.39 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.46 1kkr n ALA 265 N -1.97 2.28 -3.94 3.43 0.00 -0.47 -3.91 120.51 115.93 1kkr n ALA 265 Ca 0.03 -0.07 -0.27 0.00 0.00 0.00 0.00 53.44 53.13 1kkr n ALA 265 Cb 0.38 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 1kkr n ALA 265 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1kkr n GLN 266 N -1.73 -3.96 0.00 0.00 6.02 -1.18 -0.79 117.38 115.75 1kkr n GLN 266 Ca 0.06 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 1kkr n GLN 266 Cb 0.36 -4.90 0.00 0.00 1.02 0.00 0.00 30.24 26.72 1kkr n GLN 266 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kkr n GLY 267 N -1.76 1.52 3.72 1.08 0.00 -1.26 -5.02 105.19 103.46 1kkr n GLY 267 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1kkr n GLY 267 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kkr s LEU 268 N 0.00 4.41 0.53 0.99 1.43 0.03 -5.00 118.68 121.08 1kkr s LEU 268 Ca 0.00 1.75 -0.22 0.00 -1.03 0.00 0.00 54.13 54.63 1kkr s LEU 268 Cb 0.00 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 1kkr s LEU 268 CO 0.00 -0.22 1.37 -2.84 0.23 0.00 0.00 176.35 174.88 1kkr s PRO 269 N 0.68 3.22 -0.06 1.29 0.02 -1.26 -4.70 135.00 134.19 1kkr s PRO 269 Ca 0.51 2.26 0.06 0.00 0.02 0.00 0.00 61.00 63.85 1kkr s PRO 269 Cb -0.23 -2.31 -0.01 0.00 0.02 0.00 0.00 34.50 31.97 1kkr s PRO 269 CO 0.29 -1.14 -0.23 -1.17 -0.33 0.00 0.00 177.00 174.42 1kkr s LEU 270 N -3.41 2.04 -0.06 -5.54 2.96 -1.26 0.22 118.68 113.62 1kkr s LEU 270 Ca 0.70 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 54.16 1kkr s LEU 270 Cb -0.41 -1.29 0.00 0.00 0.50 0.00 0.00 46.19 44.99 1kkr s LEU 270 CO 0.49 0.22 -0.17 -0.31 -1.32 0.00 0.00 176.35 175.26 1kkr s TYR 271 N -0.08 1.82 -0.19 5.38 1.51 0.09 -2.27 117.35 123.59 1kkr s TYR 271 Ca -0.05 -0.63 -0.01 0.00 -1.01 0.00 0.00 57.07 55.37 1kkr s TYR 271 Cb -0.14 -1.25 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 1kkr s TYR 271 CO 0.04 -0.26 -0.13 0.42 -1.11 0.00 0.00 175.55 174.50 1kkr s ILE 272 N 0.33 2.66 -0.06 2.71 -1.09 -0.30 -1.31 121.20 124.14 1kkr s ILE 272 Ca -0.11 -0.74 -0.05 0.00 -2.23 0.00 0.00 60.65 57.52 1kkr s ILE 272 Cb -0.15 -2.16 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 1kkr s ILE 272 CO 0.04 0.49 0.16 -0.70 -1.23 0.00 0.00 174.94 173.70 1kkr s GLU 273 N 1.27 3.42 -1.23 2.79 2.12 0.69 -1.39 118.70 126.37 1kkr s GLU 273 Ca 0.03 -0.24 -0.01 0.00 0.36 0.00 0.00 54.97 55.11 1kkr s GLU 273 Cb -0.14 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.13 1kkr s GLU 273 CO -0.07 0.72 0.99 0.41 -0.54 0.00 0.00 175.26 176.78 1kkr n GLY 274 N 1.46 -0.38 0.30 -1.50 0.00 -0.02 -1.76 105.19 103.30 1kkr n GLY 274 Ca -0.15 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.02 1kkr n GLY 274 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kkr h PRO 275 N -2.00 0.49 -4.61 1.61 0.13 -1.81 0.41 132.00 126.23 1kkr h PRO 275 Ca -0.59 -0.04 -0.23 0.00 -0.87 0.00 0.00 66.00 64.26 1kkr h PRO 275 Cb 1.35 -0.10 -0.15 0.00 0.13 0.00 0.00 31.00 32.22 1kkr h PRO 275 CO 0.52 0.36 -0.66 0.14 -0.23 0.00 0.00 178.00 178.13 1kkr s VAL 276 N -5.36 0.40 -0.23 1.56 -7.23 -1.26 -1.29 120.40 107.00 1kkr s VAL 276 Ca -0.08 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.11 1kkr s VAL 276 Cb 0.17 -2.06 0.08 0.00 0.56 0.00 0.00 36.38 35.13 1kkr s VAL 276 CO 0.73 -0.49 0.09 -0.62 -0.31 0.00 0.00 175.10 174.50 1kkr s ASP 277 N -3.11 3.00 0.00 4.85 -1.08 -1.26 -4.53 116.67 114.54 1kkr s ASP 277 Ca 0.23 -0.97 0.23 0.00 -0.52 0.00 0.00 52.55 51.53 1kkr s ASP 277 Cb 0.07 -0.40 1.17 0.00 -1.46 0.00 0.00 42.92 42.30 1kkr s ASP 277 CO 0.02 -0.38 1.78 0.00 0.52 0.00 0.00 175.17 177.11 1kkr n ALA 278 N 5.19 2.60 -0.65 3.66 0.00 -1.26 -4.91 120.51 125.13 1kkr n ALA 278 Ca -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1kkr n ALA 278 Cb 0.46 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1kkr n ALA 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kkr n GLY 279 N 0.99 0.44 3.39 0.00 0.00 -1.26 -4.78 105.19 103.97 1kkr n GLY 279 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1kkr n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kkr s ASN 280 N -2.41 -0.47 0.06 1.61 2.20 -1.26 -5.08 114.94 109.58 1kkr s ASN 280 Ca 0.00 0.71 -0.12 0.00 -0.94 0.00 0.00 52.86 52.51 1kkr s ASN 280 Cb 0.00 0.74 -0.03 0.00 -2.00 0.00 0.00 41.25 39.96 1kkr s ASN 280 CO 0.00 -0.35 1.21 0.50 -2.94 0.00 0.00 177.10 175.52 1kkr h LYS 281 N 4.40 -0.04 -0.94 3.55 3.64 -1.91 0.35 116.57 125.61 1kkr h LYS 281 Ca -0.28 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.13 1kkr h LYS 281 Cb 1.17 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 1kkr h LYS 281 CO 0.29 -0.03 0.62 -1.35 -2.27 0.00 0.00 179.45 176.70 1kkr h PRO 282 N -0.04 1.17 -0.32 1.90 0.11 -1.98 0.15 132.00 132.99 1kkr h PRO 282 Ca 0.05 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 1kkr h PRO 282 Cb 0.18 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 1kkr h PRO 282 CO -0.33 0.78 -0.27 -0.44 -0.21 0.00 0.00 178.00 177.52 1kkr h ASP 283 N 1.21 0.66 -0.19 -2.05 3.32 -1.83 -2.80 116.42 114.73 1kkr h ASP 283 Ca 0.37 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1kkr h ASP 283 Cb -0.03 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1kkr h ASP 283 CO -0.11 0.90 0.10 -0.61 -1.72 0.00 0.00 179.24 177.80 1kkr h GLN 284 N 0.56 0.28 -0.67 3.56 5.75 0.23 -2.23 115.11 122.58 1kkr h GLN 284 Ca 0.07 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.57 1kkr h GLN 284 Cb 0.76 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.21 1kkr h GLN 284 CO 0.06 0.29 0.42 0.82 -2.65 0.00 0.00 178.83 177.77 1kkr h ILE 285 N 0.19 1.08 0.00 2.39 2.04 -0.98 -1.30 117.51 120.94 1kkr h ILE 285 Ca 0.07 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1kkr h ILE 285 Cb 0.10 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1kkr h ILE 285 CO -0.01 0.15 0.00 0.54 0.00 0.00 0.00 178.15 178.83 1kkr n ARG 286 N -4.69 0.21 0.00 2.37 1.74 -0.84 -0.90 116.66 114.54 1kkr n ARG 286 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1kkr n ARG 286 Cb 0.09 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1kkr n ARG 286 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1kkr n LEU 288 N 0.51 0.00 -0.23 0.55 4.77 -0.49 -1.45 117.00 120.66 1kkr n LEU 288 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1kkr n LEU 288 Cb 0.06 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.26 1kkr n LEU 288 CO 0.00 0.00 1.09 0.74 -1.33 0.00 0.00 177.39 177.89 1kkr h THR 289 N 0.00 0.95 -0.30 -5.08 2.02 -0.66 0.15 112.91 110.00 1kkr h THR 289 Ca 0.00 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 1kkr h THR 289 Cb 0.00 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1kkr h THR 289 CO 0.00 0.12 -0.22 0.00 0.37 0.00 0.00 175.52 175.79 1kkr h ALA 290 N 1.36 1.07 -0.28 6.16 0.00 -1.51 -1.00 119.26 125.05 1kkr h ALA 290 Ca 0.31 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1kkr h ALA 290 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1kkr h ALA 290 CO -0.19 0.57 0.10 0.82 0.00 0.00 0.00 179.25 180.55 1kkr h ILE 291 N 0.49 1.19 -0.24 0.00 2.04 -1.54 -2.06 117.51 117.38 1kkr h ILE 291 Ca 0.08 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1kkr h ILE 291 Cb 0.65 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1kkr h ILE 291 CO 0.05 0.20 0.16 0.74 0.00 0.00 0.00 178.15 179.29 1kkr h THR 292 N 0.30 1.06 -0.61 -0.27 2.02 -0.41 -1.31 112.91 113.70 1kkr h THR 292 Ca 0.09 -0.11 0.11 0.00 0.77 0.00 0.00 66.41 67.27 1kkr h THR 292 Cb 0.21 0.71 -0.08 0.00 -1.74 0.00 0.00 68.15 67.24 1kkr h THR 292 CO -0.01 0.06 0.15 0.50 0.37 0.00 0.00 175.52 176.60 1kkr h LYS 293 N 0.32 0.29 -0.29 6.66 3.64 -1.19 -1.47 116.57 124.53 1kkr h LYS 293 Ca 0.09 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 1kkr h LYS 293 Cb -0.03 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1kkr h LYS 293 CO -0.02 0.19 -0.49 1.49 -2.27 0.00 0.00 179.45 178.35 1kkr h GLU 294 N 0.29 0.84 -0.88 1.90 4.57 -0.90 -1.58 114.58 118.82 1kkr h GLU 294 Ca 0.32 -0.52 0.15 0.00 -1.18 0.00 0.00 59.36 58.13 1kkr h GLU 294 Cb 0.46 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.01 1kkr h GLU 294 CO -0.38 1.15 0.47 -0.07 -1.18 0.00 0.00 179.01 179.00 1kkr h LEU 295 N 0.61 0.59 -0.31 1.64 3.38 -0.61 0.19 115.31 120.80 1kkr h LEU 295 Ca 0.02 0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1kkr h LEU 295 Cb 1.09 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1kkr h LEU 295 CO 0.11 0.25 -0.33 0.74 0.09 0.00 0.00 178.44 179.30 1kkr h THR 296 N 0.67 1.29 -0.78 0.22 2.02 -1.14 -0.46 112.91 114.73 1kkr h THR 296 Ca 0.48 -1.51 0.01 0.00 0.77 0.00 0.00 66.41 66.16 1kkr h THR 296 Cb 0.67 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 1kkr h THR 296 CO -0.36 0.49 0.52 -0.09 0.37 0.00 0.00 175.52 176.45 1kkr h ARG 297 N 0.54 1.02 0.00 6.66 2.43 -0.56 0.13 114.38 124.61 1kkr h ARG 297 Ca 0.05 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1kkr h ARG 297 Cb 0.92 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1kkr h ARG 297 CO 0.08 0.68 0.00 1.28 -1.51 0.00 0.00 179.97 180.50 1kkr n LEU 298 N -4.55 0.00 -0.66 3.80 4.77 -0.01 -4.87 117.00 115.48 1kkr n LEU 298 Ca 0.08 0.47 -0.08 0.00 -0.03 0.00 0.00 56.01 56.45 1kkr n LEU 298 Cb 0.02 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.61 1kkr n LEU 298 CO 0.36 -0.22 -0.08 0.61 -1.33 0.00 0.00 177.39 176.73 1kkr n GLY 299 N 0.13 0.91 3.78 -0.72 0.00 0.03 -5.01 105.19 104.31 1kkr n GLY 299 Ca 0.04 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 1kkr n GLY 299 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kkr s SER 300 N -2.88 6.57 0.00 1.61 0.15 -0.23 -4.95 113.70 113.97 1kkr s SER 300 Ca 0.00 2.16 0.25 0.00 0.70 0.00 0.00 55.95 59.06 1kkr s SER 300 Cb 0.00 -2.60 0.70 0.00 -1.71 0.00 0.00 66.02 62.41 1kkr s SER 300 CO 0.00 -0.63 1.54 0.61 1.20 0.00 0.00 173.24 175.96 1kkr n GLY 301 N 0.43 0.53 3.74 9.45 0.00 -1.26 -4.77 105.19 113.31 1kkr n GLY 301 Ca 0.05 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 1kkr n GLY 301 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kkr s VAL 302 N -1.88 4.23 0.27 1.61 1.01 -1.26 -4.64 120.40 119.74 1kkr s VAL 302 Ca 0.34 2.07 0.10 0.00 0.00 0.00 0.00 61.98 64.49 1kkr s VAL 302 Cb 0.20 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1kkr s VAL 302 CO 0.31 0.44 -0.03 -0.54 0.00 0.00 0.00 175.10 175.27 1kkr s LYS 303 N -0.78 2.19 0.12 2.72 1.02 -0.96 -5.01 119.74 119.05 1kkr s LYS 303 Ca 0.43 -1.48 0.08 0.00 0.02 0.00 0.00 55.97 55.01 1kkr s LYS 303 Cb -0.25 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 1kkr s LYS 303 CO 0.31 0.35 -0.19 0.96 -0.92 0.00 0.00 175.35 175.86 1kkr s ILE 304 N -2.36 1.69 -0.09 2.17 -4.36 -1.26 -1.15 121.20 115.84 1kkr s ILE 304 Ca 0.31 -1.68 0.02 0.00 -0.26 0.00 0.00 60.65 59.04 1kkr s ILE 304 Cb -0.06 -1.63 0.01 0.00 1.25 0.00 0.00 42.46 42.03 1kkr s ILE 304 CO 0.19 -0.19 -0.15 -0.69 0.24 0.00 0.00 174.94 174.34 1kkr s VAL 305 N -1.57 1.44 0.56 8.37 1.01 -0.49 -2.63 120.40 127.09 1kkr s VAL 305 Ca 0.10 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.28 1kkr s VAL 305 Cb -0.08 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 1kkr s VAL 305 CO 0.05 0.43 1.07 0.00 0.00 0.00 0.00 175.10 176.64 1kkr s ALA 306 N 0.84 2.74 0.00 5.51 0.00 -1.26 -0.84 121.76 128.76 1kkr s ALA 306 Ca -0.10 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1kkr s ALA 306 Cb -0.15 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1kkr s ALA 306 CO 0.01 -0.71 0.00 -3.47 0.00 0.00 0.00 175.76 171.59 1kkr n ASP 307 N -1.67 0.00 -4.76 0.00 2.03 -1.26 -0.66 116.55 110.23 1kkr n ASP 307 Ca 0.09 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.99 1kkr n ASP 307 Cb 0.52 0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1kkr n ASP 307 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1kkr n GLU 308 N -1.64 2.46 -0.22 -0.67 4.71 -1.26 -1.41 120.64 122.60 1kkr n GLU 308 Ca 0.00 0.87 0.00 0.00 -0.01 0.00 0.00 57.16 58.02 1kkr n GLU 308 Cb 0.00 -2.59 0.00 0.00 -1.01 0.00 0.00 31.44 27.84 1kkr n GLU 308 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 1kkr n TRP 309 N 0.23 0.00 -3.67 -0.32 7.02 -1.26 -4.92 117.44 114.52 1kkr n TRP 309 Ca 0.03 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.15 1kkr n TRP 309 Cb 0.39 -0.30 -0.07 0.00 -2.42 0.00 0.00 31.31 28.91 1kkr n TRP 309 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1kkr n ASN 311 N 2.48 1.68 -4.97 0.00 3.02 -1.26 -4.70 115.26 111.51 1kkr n ASN 311 Ca 0.19 0.28 -0.21 0.00 -0.03 0.00 0.00 54.58 54.81 1kkr n ASN 311 Cb 0.37 -0.64 0.04 0.00 -0.61 0.00 0.00 39.78 38.94 1kkr n ASN 311 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1kkr s THR 312 N -2.62 2.69 0.21 3.41 -4.23 -1.26 -4.14 115.64 109.70 1kkr s THR 312 Ca -0.24 -0.64 -0.12 0.00 -1.18 0.00 0.00 61.69 59.51 1kkr s THR 312 Cb 0.05 -3.01 0.20 0.00 1.34 0.00 0.00 72.50 71.08 1kkr s THR 312 CO 0.34 -0.01 1.65 0.22 -0.54 0.00 0.00 174.62 176.28 1kkr h TYR 313 N 0.05 -0.13 -0.56 3.99 3.20 -1.89 -0.46 116.97 121.17 1kkr h TYR 313 Ca -0.42 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.40 1kkr h TYR 313 Cb 1.30 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.70 1kkr h TYR 313 CO 0.37 -0.20 -0.02 0.37 -1.64 0.00 0.00 178.16 177.05 1kkr h GLN 314 N 0.07 0.99 -0.39 1.82 5.75 -1.98 -0.78 115.11 120.59 1kkr h GLN 314 Ca 0.31 -0.31 0.07 0.00 -0.15 0.00 0.00 58.65 58.56 1kkr h GLN 314 Cb 0.49 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.89 1kkr h GLN 314 CO -0.55 0.98 0.04 -0.44 -2.65 0.00 0.00 178.83 176.21 1kkr h ASP 315 N 0.90 -0.08 -0.60 -0.69 3.32 -1.76 0.19 116.42 117.70 1kkr h ASP 315 Ca 0.16 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.31 1kkr h ASP 315 Cb 0.55 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 1kkr h ASP 315 CO 0.03 -0.00 0.38 0.40 -1.72 0.00 0.00 179.24 178.33 1kkr h ILE 316 N 0.15 1.10 -0.56 0.35 2.04 -0.18 0.16 117.51 120.56 1kkr h ILE 316 Ca 0.19 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1kkr h ILE 316 Cb 0.25 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 1kkr h ILE 316 CO -0.28 0.14 0.30 0.58 0.00 0.00 0.00 178.15 178.88 1kkr h VAL 317 N 0.75 0.96 -0.30 1.67 2.07 -0.48 -0.25 116.25 120.67 1kkr h VAL 317 Ca 0.23 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 1kkr h VAL 317 Cb -0.02 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1kkr h VAL 317 CO -0.08 0.10 -0.15 0.44 0.02 0.00 0.00 177.57 177.90 1kkr h ASP 318 N 0.57 0.66 -0.16 0.57 3.32 0.15 0.38 116.42 121.91 1kkr h ASP 318 Ca 0.25 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 1kkr h ASP 318 Cb 0.15 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1kkr h ASP 318 CO -0.17 0.92 -0.03 -0.26 -1.72 0.00 0.00 179.24 177.99 1kkr h PHE 319 N 0.39 0.44 -0.04 4.55 -1.00 -0.58 -2.63 116.94 118.08 1kkr h PHE 319 Ca 0.07 -0.04 -0.06 0.00 2.81 0.00 0.00 57.97 60.75 1kkr h PHE 319 Cb 0.68 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.11 1kkr h PHE 319 CO 0.06 0.46 -0.20 1.15 -1.61 0.00 0.00 178.31 178.18 1kkr h THR 320 N 0.41 1.47 -0.50 -1.55 2.02 -0.81 -2.89 112.91 111.06 1kkr h THR 320 Ca 0.09 -1.67 0.05 0.00 0.77 0.00 0.00 66.41 65.65 1kkr h THR 320 Cb 0.32 2.44 -0.03 0.00 -1.74 0.00 0.00 68.15 69.14 1kkr h THR 320 CO 0.01 0.46 0.33 0.44 0.37 0.00 0.00 175.52 177.14 1kkr h ASP 321 N -0.35 0.43 0.40 4.18 3.32 -0.85 -1.96 116.42 121.57 1kkr h ASP 321 Ca -0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1kkr h ASP 321 Cb 0.86 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1kkr h ASP 321 CO 0.04 0.29 0.00 0.00 -1.72 0.00 0.00 179.24 177.85 1kkr n ALA 322 N -2.49 2.23 -3.69 3.45 0.00 -1.00 -4.90 120.51 114.11 1kkr n ALA 322 Ca 0.06 -0.12 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 1kkr n ALA 322 Cb 0.21 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.33 1kkr n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kkr n GLY 323 N 0.70 -0.47 0.20 0.00 0.00 -0.74 -4.88 105.19 100.00 1kkr n GLY 323 Ca 0.12 0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.46 1kkr n GLY 323 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kkr h SER 324 N -2.29 0.00 -5.29 1.61 4.64 -1.75 -3.45 113.55 107.02 1kkr h SER 324 Ca -0.58 -0.00 0.15 0.00 -0.47 0.00 0.00 61.79 60.88 1kkr h SER 324 Cb 1.37 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.40 1kkr h SER 324 CO 0.59 0.00 0.47 0.00 -0.87 0.00 0.00 176.83 177.02 1kkr n HIS 326 N -0.53 0.21 -3.73 0.00 -0.00 -1.08 -4.90 115.22 105.18 1kkr n HIS 326 Ca -0.05 -0.10 -0.13 0.00 -0.00 0.00 0.00 57.72 57.43 1kkr n HIS 326 Cb 0.60 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.49 1kkr n HIS 326 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1kkr s VAL 328 N -1.79 0.00 -0.37 1.59 -7.23 -0.89 -1.87 120.40 109.84 1kkr s VAL 328 Ca 0.27 -0.02 -0.28 0.00 -1.81 0.00 0.00 61.98 60.14 1kkr s VAL 328 Cb 0.14 -0.61 0.02 0.00 0.56 0.00 0.00 36.38 36.49 1kkr s VAL 328 CO 0.21 -0.01 1.03 -1.58 -0.31 0.00 0.00 175.10 174.43 1kkr s GLN 329 N 0.13 3.92 -0.83 4.82 0.74 0.17 -1.65 119.66 126.96 1kkr s GLN 329 Ca -0.01 0.79 -0.20 0.00 0.05 0.00 0.00 55.36 55.99 1kkr s GLN 329 Cb -0.03 -3.79 0.11 0.00 1.10 0.00 0.00 33.01 30.40 1kkr s GLN 329 CO 0.01 -1.01 1.06 0.42 -0.55 0.00 0.00 175.29 175.22 1kkr s ILE 330 N 3.73 4.61 -1.02 -2.34 1.01 0.23 -4.79 121.20 122.62 1kkr s ILE 330 Ca 0.43 -1.18 -0.23 0.00 0.00 0.00 0.00 60.65 59.68 1kkr s ILE 330 Cb -0.11 -4.74 0.06 0.00 0.01 0.00 0.00 42.46 37.68 1kkr s ILE 330 CO 0.20 -1.48 1.43 -0.75 0.00 0.00 0.00 174.94 174.34 1kkr s LYS 331 N 3.12 3.59 0.25 2.79 2.20 -1.26 -1.18 119.74 129.25 1kkr s LYS 331 Ca 0.28 -1.16 -0.09 0.00 -0.36 0.00 0.00 55.97 54.64 1kkr s LYS 331 Cb -0.09 -5.33 0.38 0.00 -1.51 0.00 0.00 37.83 31.27 1kkr s LYS 331 CO -0.03 -2.18 1.44 0.25 -0.36 0.00 0.00 175.35 174.47 1kkr n THR 332 N 6.80 -0.41 0.26 3.43 -2.24 -1.26 -1.29 114.28 119.58 1kkr n THR 332 Ca 0.33 2.13 0.13 0.00 -2.27 0.00 0.00 64.05 64.36 1kkr n THR 332 Cb 0.51 -2.91 0.72 0.00 -2.10 0.00 0.00 70.33 66.55 1kkr n THR 332 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1kkr h PRO 333 N 0.00 0.00 0.00 -0.78 0.11 -1.89 -2.38 132.00 127.06 1kkr h PRO 333 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1kkr h PRO 333 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1kkr h PRO 333 CO -0.94 0.12 0.00 -0.25 -0.21 0.00 0.00 178.00 176.72 1kkr n ASP 334 N -3.59 0.69 -0.04 -2.05 8.00 -0.41 -2.81 116.55 116.34 1kkr n ASP 334 Ca -0.02 0.61 0.15 0.00 0.71 0.00 0.00 54.79 56.25 1kkr n ASP 334 Cb 0.25 -0.78 0.80 0.00 -0.02 0.00 0.00 41.12 41.37 1kkr n ASP 334 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1kkr n LEU 335 N -2.20 0.13 0.00 0.64 4.32 -0.89 -4.61 117.00 114.39 1kkr n LEU 335 Ca 0.04 0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1kkr n LEU 335 Cb 0.32 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1kkr n LEU 335 CO 0.25 0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.05 1kkr n GLY 336 N 1.17 2.06 3.77 -0.72 0.00 -1.12 -4.80 105.19 105.55 1kkr n GLY 336 Ca 0.18 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 1kkr n GLY 336 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kkr s GLY 337 N 0.00 2.91 0.09 -0.02 0.00 -1.25 -2.84 107.32 106.22 1kkr s GLY 337 Ca 0.00 0.92 0.19 0.00 0.00 0.00 0.00 44.72 45.83 1kkr s GLY 337 CO 0.00 1.45 1.59 0.29 0.00 0.00 0.00 173.10 176.43 1kkr n ILE 338 N 0.44 0.86 0.21 0.90 -5.35 -1.26 -1.76 119.36 113.40 1kkr n ILE 338 Ca 0.02 0.21 0.05 0.00 -0.27 0.00 0.00 62.75 62.76 1kkr n ILE 338 Cb 0.46 -1.01 0.47 0.00 -1.74 0.00 0.00 39.64 37.83 1kkr n ILE 338 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 1kkr h HIS 339 N 0.00 0.00 0.00 4.28 2.07 -1.93 -0.91 115.15 118.65 1kkr h HIS 339 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 1kkr h HIS 339 Cb 0.32 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.30 1kkr h HIS 339 CO 0.00 0.26 -0.09 -0.91 -3.07 0.00 0.00 177.93 174.12 1kkr h ASN 340 N 0.00 0.00 -0.10 3.10 2.35 -1.67 -1.12 115.58 118.15 1kkr h ASN 340 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1kkr h ASN 340 Cb 0.49 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1kkr h ASN 340 CO 0.03 0.09 -0.02 0.40 -1.65 0.00 0.00 177.43 176.28 1kkr h ILE 341 N 0.00 1.29 -0.22 2.81 2.04 -1.31 -0.22 117.51 121.89 1kkr h ILE 341 Ca -0.00 -0.94 0.05 0.00 1.00 0.00 0.00 64.86 64.97 1kkr h ILE 341 Cb 0.16 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 1kkr h ILE 341 CO 0.01 0.27 -0.13 0.58 0.00 0.00 0.00 178.15 178.87 1kkr h VAL 342 N -0.13 0.60 -0.60 1.67 2.07 -1.24 0.05 116.25 118.68 1kkr h VAL 342 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1kkr h VAL 342 Cb 0.43 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1kkr h VAL 342 CO 0.01 0.00 0.19 0.44 0.02 0.00 0.00 177.57 178.23 1kkr h ASP 343 N -0.12 0.83 -0.30 0.57 3.32 -1.05 -2.00 116.42 117.68 1kkr h ASP 343 Ca 0.12 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1kkr h ASP 343 Cb 0.30 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1kkr h ASP 343 CO -0.29 0.78 0.11 0.00 -1.72 0.00 0.00 179.24 178.12 1kkr h ALA 344 N 1.33 0.39 -0.63 3.45 0.00 -0.40 -0.03 119.26 123.38 1kkr h ALA 344 Ca 0.20 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1kkr h ALA 344 Cb 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1kkr h ALA 344 CO -0.01 0.00 0.04 0.28 0.00 0.00 0.00 179.25 179.57 1kkr h VAL 345 N 0.33 1.26 -0.47 0.00 2.07 -0.83 -0.59 116.25 118.02 1kkr h VAL 345 Ca 0.10 -1.11 -0.13 0.00 0.82 0.00 0.00 66.70 66.38 1kkr h VAL 345 Cb 0.21 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1kkr h VAL 345 CO -0.01 0.41 -0.22 -0.07 0.02 0.00 0.00 177.57 177.71 1kkr h LEU 346 N 1.00 1.01 0.29 2.57 3.38 -1.18 -1.47 115.31 120.90 1kkr h LEU 346 Ca 0.18 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1kkr h LEU 346 Cb 0.51 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1kkr h LEU 346 CO 0.02 1.18 -0.32 0.22 0.09 0.00 0.00 178.44 179.63 1kkr h TYR 347 N 0.83 -0.87 -0.60 1.13 3.20 -0.70 -0.83 116.97 119.12 1kkr h TYR 347 Ca 0.11 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.11 1kkr h TYR 347 Cb 0.80 0.34 -0.11 0.00 1.54 0.00 0.00 36.73 39.30 1kkr h TYR 347 CO 0.05 -0.46 -0.08 0.00 -1.64 0.00 0.00 178.16 176.04 1kkr h ASN 349 N 0.05 0.00 1.08 0.00 2.35 -0.76 -1.15 115.58 117.15 1kkr h ASN 349 Ca 0.30 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.94 1kkr h ASN 349 Cb 0.47 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 1kkr h ASN 349 CO -0.57 0.14 -0.97 0.50 -1.65 0.00 0.00 177.43 174.89 1kkr h LYS 350 N 0.00 0.00 -0.48 0.81 3.64 0.13 -3.37 116.57 117.30 1kkr h LYS 350 Ca -0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 1kkr h LYS 350 Cb 0.28 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 31.91 1kkr h LYS 350 CO 0.02 0.27 -0.19 0.72 -2.27 0.00 0.00 179.45 178.00 1kkr n HIS 351 N -2.96 1.58 -2.65 1.91 8.25 -0.30 -5.09 115.22 115.96 1kkr n HIS 351 Ca -0.03 -1.89 -0.05 0.00 -0.26 0.00 0.00 57.72 55.49 1kkr n HIS 351 Cb 0.73 -0.54 0.01 0.00 1.12 0.00 0.00 29.99 31.31 1kkr n HIS 351 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kkr n GLY 352 N -1.02 -2.30 3.00 -1.41 0.00 -0.96 -4.95 105.19 97.56 1kkr n GLY 352 Ca 0.38 0.85 -0.29 0.00 0.00 0.00 0.00 46.02 46.96 1kkr n GLY 352 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kkr s GLU 354 N -2.07 2.11 -0.25 1.61 2.02 -0.78 -5.00 118.70 116.33 1kkr s GLU 354 Ca 0.14 -0.49 -0.17 0.00 0.02 0.00 0.00 54.97 54.47 1kkr s GLU 354 Cb -0.04 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 1kkr s GLU 354 CO 0.69 -0.20 0.48 0.00 0.02 0.00 0.00 175.26 176.25 1kkr s ALA 355 N 1.40 3.58 -0.38 5.21 0.00 -1.26 -2.09 121.76 128.22 1kkr s ALA 355 Ca 0.02 -0.60 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 1kkr s ALA 355 Cb -0.13 -2.82 0.06 0.00 0.00 0.00 0.00 23.12 20.22 1kkr s ALA 355 CO -0.08 -0.64 0.19 -0.47 0.00 0.00 0.00 175.76 174.76 1kkr s TYR 356 N 2.07 3.31 -0.71 0.00 5.04 -0.66 -2.80 117.35 123.61 1kkr s TYR 356 Ca 0.20 -1.49 -0.23 0.00 -2.44 0.00 0.00 57.07 53.12 1kkr s TYR 356 Cb -0.16 -2.64 0.07 0.00 0.35 0.00 0.00 41.96 39.59 1kkr s TYR 356 CO 0.09 -0.79 1.03 -1.14 -1.34 0.00 0.00 175.55 173.40 1kkr s GLN 357 N 1.41 3.19 0.00 4.97 0.74 0.16 -0.60 119.66 129.53 1kkr s GLN 357 Ca 0.01 -0.90 0.00 0.00 0.05 0.00 0.00 55.36 54.53 1kkr s GLN 357 Cb -0.21 -4.34 0.00 0.00 1.10 0.00 0.00 33.01 29.56 1kkr s GLN 357 CO 0.02 -1.85 0.00 0.41 -0.55 0.00 0.00 175.29 173.32 1kkr n GLY 358 N 5.40 1.46 0.00 2.59 0.00 -0.32 -0.71 105.19 113.60 1kkr n GLY 358 Ca 0.01 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1kkr n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkr n GLY 359 N 5.00 0.14 3.04 -0.02 0.00 -1.26 -4.05 105.19 108.04 1kkr n GLY 359 Ca 0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 1kkr n GLY 359 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kkr s THR 360 N -3.92 0.19 0.60 2.61 -1.32 -1.26 -4.78 115.64 107.76 1kkr s THR 360 Ca 0.00 -1.42 0.31 0.00 -1.21 0.00 0.00 61.69 59.37 1kkr s THR 360 Cb 0.00 -0.97 0.36 0.00 -1.51 0.00 0.00 72.50 70.38 1kkr s THR 360 CO 0.00 -0.77 2.23 0.00 -2.21 0.00 0.00 174.62 173.87 1kkr n ASN 362 N -3.77 3.16 -0.21 0.00 5.15 -1.26 -1.16 115.26 117.17 1kkr n ASN 362 Ca -0.02 -2.39 0.00 0.00 -0.60 0.00 0.00 54.58 51.57 1kkr n ASN 362 Cb 0.13 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.85 1kkr n ASN 362 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1kkr n GLU 363 N 0.37 3.74 -4.39 1.20 0.28 -1.17 -4.27 120.64 116.40 1kkr n GLU 363 Ca 0.14 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.93 1kkr n GLU 363 Cb 0.66 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.44 1kkr n GLU 363 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1kkr s THR 364 N 2.63 0.40 0.20 3.84 -4.23 -1.26 -1.65 115.64 115.57 1kkr s THR 364 Ca 0.00 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 1kkr s THR 364 Cb 0.00 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.41 1kkr s THR 364 CO 0.00 0.00 1.63 1.05 -0.54 0.00 0.00 174.62 176.76 1kkr h GLU 365 N 2.06 0.87 -0.05 3.99 9.09 -1.96 -1.36 114.58 127.22 1kkr h GLU 365 Ca -0.33 -0.33 -0.02 0.00 0.05 0.00 0.00 59.36 58.73 1kkr h GLU 365 Cb 1.25 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 28.30 1kkr h GLU 365 CO 0.52 0.97 -0.04 0.82 0.05 0.00 0.00 179.01 181.33 1kkr h ILE 366 N 0.77 1.36 -0.99 -1.06 2.04 -1.99 -0.60 117.51 117.05 1kkr h ILE 366 Ca 0.11 -1.15 0.05 0.00 1.00 0.00 0.00 64.86 64.88 1kkr h ILE 366 Cb 0.69 2.02 -0.06 0.00 -0.74 0.00 0.00 36.82 38.73 1kkr h ILE 366 CO 0.05 0.31 0.64 0.77 0.00 0.00 0.00 178.15 179.93 1kkr h SER 367 N -0.31 1.05 -0.40 1.72 4.64 -1.86 -0.78 113.55 117.62 1kkr h SER 367 Ca 0.01 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 1kkr h SER 367 Cb 0.52 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1kkr h SER 367 CO 0.01 0.70 -0.14 0.00 -0.87 0.00 0.00 176.83 176.53 1kkr h ALA 368 N 1.42 0.55 -0.58 5.18 0.00 -1.18 -1.11 119.26 123.54 1kkr h ALA 368 Ca 0.41 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1kkr h ALA 368 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1kkr h ALA 368 CO -0.15 0.46 0.30 -0.09 0.00 0.00 0.00 179.25 179.77 1kkr h ARG 369 N 0.60 0.83 -0.69 0.00 2.43 -0.76 -0.74 114.38 116.05 1kkr h ARG 369 Ca 0.09 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1kkr h ARG 369 Cb 0.68 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1kkr h ARG 369 CO 0.05 0.65 0.29 1.15 -1.51 0.00 0.00 179.97 180.60 1kkr h THR 370 N 0.79 1.23 0.00 0.20 2.02 -0.95 -1.34 112.91 114.86 1kkr h THR 370 Ca 0.20 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 1kkr h THR 370 Cb 0.08 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1kkr h THR 370 CO -0.03 0.29 -0.08 0.00 0.37 0.00 0.00 175.52 176.07 1kkr h VAL 372 N 0.00 1.26 -0.22 0.00 2.07 -0.03 -2.09 116.25 117.24 1kkr h VAL 372 Ca -0.00 -0.77 -0.19 0.00 0.82 0.00 0.00 66.70 66.56 1kkr h VAL 372 Cb 0.17 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1kkr h VAL 372 CO 0.01 0.32 -0.62 0.45 0.02 0.00 0.00 177.57 177.75 1kkr h HIS 373 N 1.16 0.98 -0.71 1.57 3.86 -1.32 -1.79 115.15 118.90 1kkr h HIS 373 Ca 0.27 -0.38 0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1kkr h HIS 373 Cb 0.17 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 1kkr h HIS 373 CO 0.02 1.18 0.42 0.28 0.86 0.00 0.00 177.93 180.69 1kkr h VAL 374 N 0.57 1.02 -0.27 2.45 2.07 -1.30 -2.62 116.25 118.17 1kkr h VAL 374 Ca -0.01 -0.27 -0.15 0.00 0.82 0.00 0.00 66.70 67.09 1kkr h VAL 374 Cb 1.22 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1kkr h VAL 374 CO 0.13 0.14 -0.44 0.00 0.02 0.00 0.00 177.57 177.42 1kkr h ALA 375 N 1.34 0.71 0.00 1.67 0.00 -1.06 -1.45 119.26 120.47 1kkr h ALA 375 Ca 0.31 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1kkr h ALA 375 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1kkr h ALA 375 CO -0.16 0.67 -0.34 -0.07 0.00 0.00 0.00 179.25 179.35 1kkr h LEU 376 N 0.56 0.00 0.00 0.00 3.38 -1.13 -0.62 115.31 117.50 1kkr h LEU 376 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1kkr h LEU 376 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1kkr h LEU 376 CO 0.09 0.34 -0.06 0.00 0.09 0.00 0.00 178.44 178.91 1kkr h ALA 377 N 1.66 0.01 0.00 1.53 0.00 -1.28 -3.40 119.26 117.77 1kkr h ALA 377 Ca -0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1kkr h ALA 377 Cb 0.72 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1kkr h ALA 377 CO 0.04 0.04 -0.57 0.00 0.00 0.00 0.00 179.25 178.77 1kkr h ALA 378 N -0.41 0.87 -5.31 0.00 0.00 -1.28 -3.43 119.26 109.70 1kkr h ALA 378 Ca -0.01 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1kkr h ALA 378 Cb 0.63 -0.09 0.05 0.00 0.00 0.00 0.00 17.79 18.38 1kkr h ALA 378 CO -0.01 0.71 -0.20 0.54 0.00 0.00 0.00 179.25 180.29 1kkr n ARG 379 N -3.58 -1.49 0.00 0.00 5.12 -0.24 -4.70 116.66 111.76 1kkr n ARG 379 Ca -0.00 1.32 0.00 0.00 -1.93 0.00 0.00 57.85 57.23 1kkr n ARG 379 Cb 0.63 -5.64 0.00 0.00 -1.16 0.00 0.00 32.46 26.29 1kkr n ARG 379 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1kkr n PRO 380 N -2.09 0.98 -0.43 5.56 -0.04 -1.26 -4.98 135.00 132.75 1kkr n PRO 380 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1kkr n PRO 380 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1kkr n PRO 380 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1kkr n ARG 382 N 0.00 2.00 -5.15 0.54 0.63 -1.12 -4.81 116.66 108.74 1kkr n ARG 382 Ca 0.00 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.62 1kkr n ARG 382 Cb 0.00 -0.57 -0.17 0.00 0.45 0.00 0.00 32.46 32.17 1kkr n ARG 382 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1kkr s LEU 384 N 0.00 2.04 -0.21 6.15 2.96 0.11 0.40 118.68 130.13 1kkr s LEU 384 Ca 0.00 -0.53 -0.29 0.00 -0.22 0.00 0.00 54.13 53.09 1kkr s LEU 384 Cb 0.00 -1.35 -0.01 0.00 0.50 0.00 0.00 46.19 45.33 1kkr s LEU 384 CO 0.00 0.15 1.32 -0.63 -1.32 0.00 0.00 176.35 175.87 1kkr s ILE 385 N 0.36 4.16 0.22 6.68 1.01 0.06 -4.86 121.20 128.84 1kkr s ILE 385 Ca -0.18 1.37 -0.20 0.00 0.00 0.00 0.00 60.65 61.64 1kkr s ILE 385 Cb -0.18 -4.01 0.03 0.00 0.01 0.00 0.00 42.46 38.31 1kkr s ILE 385 CO 0.08 -0.27 0.60 -1.59 0.00 0.00 0.00 174.94 173.77 1kkr s LYS 386 N 3.85 1.51 0.00 2.79 -2.85 -1.26 -4.61 119.74 119.17 1kkr s LYS 386 Ca 0.57 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.69 1kkr s LYS 386 Cb -0.20 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 1kkr s LYS 386 CO 0.19 -0.66 0.00 -0.35 0.10 0.00 0.00 175.35 174.63 1kkr n PRO 387 N -0.39 1.35 0.00 1.78 -0.04 -1.26 -4.55 135.00 131.89 1kkr n PRO 387 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1kkr n PRO 387 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 1kkr n PRO 387 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kkr n GLY 388 N 5.00 -0.08 4.67 0.55 0.00 -0.31 -3.82 105.19 111.20 1kkr n GLY 388 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1kkr n GLY 388 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkr n GLY 390 N 0.00 0.00 5.00 -0.02 0.00 -1.26 -4.71 105.19 104.20 1kkr n GLY 390 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kkr n GLY 390 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1kkr n PHE 391 N -1.19 0.00 -0.19 1.61 -0.00 -1.26 -4.61 117.46 111.82 1kkr n PHE 391 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1kkr n PHE 391 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 39.48 39.57 1kkr n PHE 391 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1kkr h ASP 392 N 0.00 -0.05 -0.06 -2.13 3.32 -1.97 -1.34 116.42 114.19 1kkr h ASP 392 Ca 0.00 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1kkr h ASP 392 Cb 0.00 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1kkr h ASP 392 CO 0.00 -0.01 0.02 -0.33 -1.72 0.00 0.00 179.24 177.20 1kkr h GLU 393 N 0.22 0.10 -0.76 3.56 3.07 -1.90 -1.13 114.58 117.74 1kkr h GLU 393 Ca 0.30 -0.02 0.11 0.00 -0.50 0.00 0.00 59.36 59.25 1kkr h GLU 393 Cb 0.44 -0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 28.25 1kkr h GLU 393 CO -0.40 0.24 0.38 0.78 -1.40 0.00 0.00 179.01 178.60 1kkr h GLY 394 N -0.07 1.16 0.95 -3.84 0.00 -1.61 -0.18 103.07 99.48 1kkr h GLY 394 Ca 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1kkr h GLY 394 CO -0.00 0.03 0.15 -2.00 0.00 0.00 0.00 176.54 174.71 1kkr h LEU 395 N 0.61 0.62 -0.48 3.11 5.85 -0.88 -0.85 115.31 123.29 1kkr h LEU 395 Ca 0.39 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.98 1kkr h LEU 395 Cb 0.46 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 1kkr h LEU 395 CO -0.30 0.65 0.16 -1.13 -0.34 0.00 0.00 178.44 177.48 1kkr h ASN 396 N 0.56 0.14 0.15 1.25 -0.73 -0.77 0.29 115.58 116.47 1kkr h ASN 396 Ca 0.14 0.06 -0.01 0.00 1.87 0.00 0.00 56.30 58.37 1kkr h ASN 396 Cb 0.25 0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.89 1kkr h ASN 396 CO -0.01 0.11 -0.07 0.40 -0.37 0.00 0.00 177.43 177.49 1kkr h ILE 397 N 0.32 0.95 0.02 2.57 2.04 -0.79 -2.34 117.51 120.29 1kkr h ILE 397 Ca 0.23 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1kkr h ILE 397 Cb 0.25 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1kkr h ILE 397 CO -0.25 0.10 -0.14 0.58 0.00 0.00 0.00 178.15 178.45 1kkr h VAL 398 N -0.40 1.73 -0.40 1.67 2.07 -0.97 -2.83 116.25 117.12 1kkr h VAL 398 Ca -0.02 -2.33 -0.14 0.00 0.82 0.00 0.00 66.70 65.03 1kkr h VAL 398 Cb 0.32 3.31 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 1kkr h VAL 398 CO 0.03 0.62 -0.31 0.15 0.02 0.00 0.00 177.57 178.08 1kkr h PHE 399 N -0.87 1.04 -0.08 1.57 3.57 -0.55 -3.20 116.94 118.43 1kkr h PHE 399 Ca -0.02 -0.28 -0.21 0.00 3.53 0.00 0.00 57.97 60.99 1kkr h PHE 399 Cb 1.09 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.60 1kkr h PHE 399 CO 0.26 1.08 -0.80 -0.91 -2.23 0.00 0.00 178.31 175.71 1kkr h ASN 400 N 0.75 0.65 0.00 0.41 4.21 -1.51 -2.12 115.58 117.97 1kkr h ASN 400 Ca 0.08 -0.45 0.00 0.00 1.21 0.00 0.00 56.30 57.14 1kkr h ASN 400 Cb 0.88 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.88 1kkr h ASN 400 CO 0.08 1.22 0.00 1.21 -1.29 0.00 0.00 177.43 178.65 1kkr n GLU 401 N -3.85 0.23 0.00 0.81 4.07 -1.07 -1.05 120.64 119.78 1kkr n GLU 401 Ca -0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 1kkr n GLU 401 Cb 0.75 -1.38 0.00 0.00 -0.06 0.00 0.00 31.44 30.75 1kkr n GLU 401 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1kkr n ASN 403 N 0.87 0.00 -0.18 4.31 3.02 -0.80 -0.73 115.26 121.75 1kkr n ASN 403 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 1kkr n ASN 403 Cb 0.11 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.29 1kkr n ASN 403 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1kkr h ARG 404 N 0.00 0.88 -0.35 3.52 3.08 -1.35 -1.83 114.38 118.32 1kkr h ARG 404 Ca 0.00 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.66 1kkr h ARG 404 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1kkr h ARG 404 CO 0.00 0.89 -0.26 1.15 -1.07 0.00 0.00 179.97 180.69 1kkr h THR 405 N 0.75 1.29 -0.49 2.04 2.02 -1.17 -1.76 112.91 115.59 1kkr h THR 405 Ca 0.15 -1.41 0.06 0.00 0.77 0.00 0.00 66.41 65.98 1kkr h THR 405 Cb 0.48 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 68.24 1kkr h THR 405 CO 0.02 0.46 0.18 0.40 0.37 0.00 0.00 175.52 176.95 1kkr h ILE 406 N 0.59 0.85 -0.62 3.11 2.04 -1.80 0.23 117.51 121.90 1kkr h ILE 406 Ca 0.07 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1kkr h ILE 406 Cb 0.82 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1kkr h ILE 406 CO 0.07 0.07 0.31 0.00 0.00 0.00 0.00 178.15 178.59 1kkr h ALA 407 N 1.32 0.80 -0.62 1.87 0.00 -1.02 -0.66 119.26 120.96 1kkr h ALA 407 Ca 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1kkr h ALA 407 Cb 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1kkr h ALA 407 CO -0.23 0.36 0.38 -0.07 0.00 0.00 0.00 179.25 179.68 1kkr h LEU 408 N 0.85 0.74 -1.32 0.00 3.38 -0.79 -2.58 115.31 115.60 1kkr h LEU 408 Ca 0.21 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1kkr h LEU 408 Cb 0.11 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1kkr h LEU 408 CO -0.03 0.58 0.32 -0.07 0.09 0.00 0.00 178.44 179.34 1kkr h LEU 409 N 0.84 0.70 -0.92 1.67 3.38 -0.42 -1.81 115.31 118.75 1kkr h LEU 409 Ca 0.22 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1kkr h LEU 409 Cb -0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1kkr h LEU 409 CO -0.04 0.56 -0.16 1.56 0.09 0.00 0.00 178.44 180.45 1kkr h GLN 410 N 0.80 0.00 0.00 1.13 4.20 -0.75 -3.49 115.11 117.00 1kkr h GLN 410 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1kkr h GLN 410 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1kkr h GLN 410 CO -0.04 0.16 0.00 2.41 -0.67 0.00 0.00 178.83 180.69