#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kgg s GLU 32 N 0.00 3.79 0.12 1.64 2.56 -1.26 -4.83 118.70 120.72 1kgg s GLU 32 Ca 0.00 1.44 -0.09 0.00 0.00 0.00 0.00 54.97 56.31 1kgg s GLU 32 Cb 0.00 -2.16 -0.10 0.00 2.00 0.00 0.00 34.13 33.87 1kgg s GLU 32 CO 0.00 -0.45 1.33 -0.07 -0.56 0.00 0.00 175.26 175.51 1kgg h LEU 33 N 1.67 0.80 -1.24 2.70 4.07 -1.99 -2.15 115.31 119.17 1kgg h LEU 33 Ca -0.49 -0.54 -0.07 0.00 0.08 0.00 0.00 57.88 56.85 1kgg h LEU 33 Cb 1.23 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.72 1kgg h LEU 33 CO 0.59 1.33 -0.25 -1.13 -1.08 0.00 0.00 178.44 177.90 1kgg h ASN 34 N 0.44 0.20 0.40 -0.43 -0.73 -1.99 -0.58 115.58 112.88 1kgg h ASN 34 Ca -0.06 -0.06 -0.10 0.00 1.87 0.00 0.00 56.30 57.95 1kgg h ASN 34 Cb 1.43 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.95 1kgg h ASN 34 CO 0.16 0.46 -0.46 -0.78 -0.37 0.00 0.00 177.43 176.43 1kgg h ASP 35 N 0.18 0.09 -0.04 1.15 1.82 -1.90 -2.36 116.42 115.37 1kgg h ASP 35 Ca 0.03 -0.04 -0.17 0.00 -0.39 0.00 0.00 57.03 56.46 1kgg h ASP 35 Cb 0.55 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.53 1kgg h ASP 35 CO 0.04 0.54 -0.57 -0.07 -1.61 0.00 0.00 179.24 177.57 1kgg h LEU 36 N 0.07 0.71 0.04 2.28 3.38 -0.54 0.26 115.31 121.51 1kgg h LEU 36 Ca 0.00 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1kgg h LEU 36 Cb 0.85 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1kgg h LEU 36 CO 0.06 1.12 -0.02 -0.33 0.09 0.00 0.00 178.44 179.37 1kgg h GLU 37 N 0.48 -0.05 -0.58 1.13 5.08 -0.77 -0.51 114.58 119.37 1kgg h GLU 37 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1kgg h GLU 37 Cb 1.13 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 1kgg h GLU 37 CO 0.11 -0.01 0.31 -0.22 -1.00 0.00 0.00 179.01 178.20 1kgg h LYS 38 N -0.09 0.81 -0.32 2.33 3.11 -1.38 1.08 116.57 122.11 1kgg h LYS 38 Ca -0.01 -0.10 -0.01 0.00 -2.81 0.00 0.00 60.65 57.72 1kgg h LYS 38 Cb 0.07 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.13 1kgg h LYS 38 CO 0.01 0.63 0.15 -0.22 -2.81 0.00 0.00 179.45 177.20 1kgg h LYS 39 N 0.78 0.44 -0.01 1.90 3.64 -0.09 -3.00 116.57 120.23 1kgg h LYS 39 Ca 0.20 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1kgg h LYS 39 Cb 0.06 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1kgg h LYS 39 CO -0.03 0.36 -0.21 0.66 -2.27 0.00 0.00 179.45 177.95 1kgg n TYR 40 N -4.42 0.00 -3.37 1.91 4.01 -0.23 -4.99 117.16 110.07 1kgg n TYR 40 Ca 0.02 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.51 1kgg n TYR 40 Cb 0.12 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.18 1kgg n TYR 40 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1kgg n ASN 41 N -0.03 -5.16 -3.80 7.72 4.05 0.37 -4.98 115.26 113.42 1kgg n ASN 41 Ca 0.06 -0.44 -0.23 0.00 0.45 0.00 0.00 54.58 54.42 1kgg n ASN 41 Cb 0.27 -4.17 -0.05 0.00 1.23 0.00 0.00 39.78 37.06 1kgg n ASN 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1kgg n ALA 42 N -3.93 0.34 -2.41 5.20 0.00 -0.85 -4.61 120.51 114.25 1kgg n ALA 42 Ca -0.04 -1.64 -0.31 0.00 0.00 0.00 0.00 53.44 51.45 1kgg n ALA 42 Cb 0.57 0.94 -0.14 0.00 0.00 0.00 0.00 19.45 20.82 1kgg n ALA 42 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1kgg s HIS 43 N -2.41 2.50 -0.06 0.00 3.76 0.21 -4.62 115.29 114.68 1kgg s HIS 43 Ca 0.03 -0.30 0.03 0.00 -0.15 0.00 0.00 55.06 54.67 1kgg s HIS 43 Cb 0.00 -1.50 0.01 0.00 1.11 0.00 0.00 32.58 32.20 1kgg s HIS 43 CO 0.02 0.15 -0.12 0.42 -0.85 0.00 0.00 174.74 174.36 1kgg s ILE 44 N -0.79 1.11 -0.12 0.60 1.01 -1.26 -2.36 121.20 119.39 1kgg s ILE 44 Ca 0.12 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1kgg s ILE 44 Cb -0.10 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.38 1kgg s ILE 44 CO 0.02 0.34 -0.15 -0.83 0.00 0.00 0.00 174.94 174.33 1kgg s GLY 45 N 0.51 1.06 -0.03 6.18 0.00 -0.11 -4.45 107.32 110.48 1kgg s GLY 45 Ca -0.11 -0.77 -0.01 0.00 0.00 0.00 0.00 44.72 43.82 1kgg s GLY 45 CO 0.03 0.30 0.06 0.14 0.00 0.00 0.00 173.10 173.63 1kgg s VAL 46 N 1.11 -0.07 -0.07 1.40 1.01 0.04 -0.72 120.40 123.10 1kgg s VAL 46 Ca -0.04 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1kgg s VAL 46 Cb -0.14 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.13 1kgg s VAL 46 CO -0.04 0.09 -0.06 -0.47 0.00 0.00 0.00 175.10 174.63 1kgg s TYR 47 N 1.21 1.03 0.04 5.22 5.04 -0.85 -1.86 117.35 127.18 1kgg s TYR 47 Ca -0.08 -0.37 0.04 0.00 -2.44 0.00 0.00 57.07 54.22 1kgg s TYR 47 Cb -0.13 -0.88 -0.02 0.00 0.35 0.00 0.00 41.96 41.28 1kgg s TYR 47 CO -0.04 -0.29 -0.12 0.00 -1.34 0.00 0.00 175.55 173.76 1kgg s ALA 48 N 1.18 1.00 -0.12 3.97 0.00 -0.32 -1.36 121.76 126.11 1kgg s ALA 48 Ca -0.06 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 1kgg s ALA 48 Cb -0.14 -0.13 0.06 0.00 0.00 0.00 0.00 23.12 22.91 1kgg s ALA 48 CO -0.02 0.16 0.25 -1.17 0.00 0.00 0.00 175.76 174.99 1kgg s LEU 49 N -1.17 -0.25 -0.38 0.00 2.96 -0.26 -1.46 118.68 118.12 1kgg s LEU 49 Ca -0.01 0.55 -0.23 0.00 -0.22 0.00 0.00 54.13 54.23 1kgg s LEU 49 Cb -0.08 0.64 0.01 0.00 0.50 0.00 0.00 46.19 47.26 1kgg s LEU 49 CO 0.01 -0.24 0.76 -0.62 -1.32 0.00 0.00 176.35 174.95 1kgg s ASP 50 N 2.38 6.50 0.50 3.68 2.15 -0.55 0.58 116.67 131.92 1kgg s ASP 50 Ca 0.01 0.22 0.33 0.00 0.43 0.00 0.00 52.55 53.54 1kgg s ASP 50 Cb -0.12 -2.38 1.41 0.00 -0.30 0.00 0.00 42.92 41.53 1kgg s ASP 50 CO -0.08 -0.76 1.97 0.71 -0.17 0.00 0.00 175.17 176.84 1kgg h THR 51 N 5.79 0.00 0.16 1.71 1.35 -1.81 0.36 112.91 120.47 1kgg h THR 51 Ca -0.25 -0.38 -0.01 0.00 -0.55 0.00 0.00 66.41 65.22 1kgg h THR 51 Cb 1.09 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1kgg h THR 51 CO 0.91 0.00 -0.08 0.50 -0.25 0.00 0.00 175.52 176.61 1kgg h LYS 52 N 0.00 -0.21 0.00 4.72 3.64 -1.90 -3.39 116.57 119.44 1kgg h LYS 52 Ca 0.00 0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 59.14 1kgg h LYS 52 Cb 0.41 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1kgg h LYS 52 CO 0.00 0.21 -1.62 -1.13 -2.27 0.00 0.00 179.45 174.64 1kgg n SER 53 N -4.92 0.85 0.00 4.20 3.41 -1.21 -4.95 113.62 111.01 1kgg n SER 53 Ca -0.07 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1kgg n SER 53 Cb 0.26 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1kgg n SER 53 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kgg n GLY 54 N 1.50 0.77 3.71 5.00 0.00 0.13 -5.02 105.19 111.28 1kgg n GLY 54 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1kgg n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kgg s LYS 55 N -0.66 4.26 -0.07 1.61 2.20 -1.22 -4.78 119.74 121.09 1kgg s LYS 55 Ca 0.00 2.19 0.04 0.00 -0.36 0.00 0.00 55.97 57.84 1kgg s LYS 55 Cb 0.00 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 1kgg s LYS 55 CO 0.00 -0.56 -0.20 -1.21 -0.36 0.00 0.00 175.35 173.03 1kgg s GLU 56 N 1.57 2.69 -0.03 4.03 2.02 -1.26 -1.48 118.70 126.24 1kgg s GLU 56 Ca 0.68 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.88 1kgg s GLU 56 Cb -0.39 -2.31 -0.03 0.00 0.10 0.00 0.00 34.13 31.50 1kgg s GLU 56 CO 0.30 0.42 -0.04 0.08 0.02 0.00 0.00 175.26 176.04 1kgg s VAL 57 N -0.24 3.88 -0.01 2.63 1.01 -0.54 -4.95 120.40 122.18 1kgg s VAL 57 Ca -0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 1kgg s VAL 57 Cb -0.13 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1kgg s VAL 57 CO 0.03 0.48 0.12 -0.54 0.00 0.00 0.00 175.10 175.19 1kgg s LYS 59 N -1.19 0.37 -0.30 2.72 1.02 -1.26 -1.18 119.74 119.92 1kgg s LYS 59 Ca 0.16 -0.25 -0.02 0.00 0.02 0.00 0.00 55.97 55.88 1kgg s LYS 59 Cb -0.11 0.16 0.19 0.00 -0.52 0.00 0.00 37.83 37.54 1kgg s LYS 59 CO 0.06 -0.08 0.62 0.12 -0.92 0.00 0.00 175.35 175.14 1kgg s PHE 60 N -0.97 -1.56 -1.76 3.18 5.36 -0.77 -4.87 117.98 116.59 1kgg s PHE 60 Ca -0.11 1.67 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 1kgg s PHE 60 Cb -0.06 0.55 0.00 0.00 -0.34 0.00 0.00 43.02 43.18 1kgg s PHE 60 CO 0.01 -0.85 0.00 0.09 -1.46 0.00 0.00 175.22 173.01 1kgg n ASN 61 N 5.43 -5.31 0.00 6.13 3.02 -1.26 -0.78 115.26 122.49 1kgg n ASN 61 Ca -0.01 0.18 0.01 0.00 -0.03 0.00 0.00 54.58 54.73 1kgg n ASN 61 Cb 0.51 -4.53 0.04 0.00 -0.61 0.00 0.00 39.78 35.19 1kgg n ASN 61 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1kgg n SER 62 N -1.68 0.00 -0.27 6.41 3.41 -1.26 -0.81 113.62 119.41 1kgg n SER 62 Ca -0.21 0.49 0.08 0.00 -0.26 0.00 0.00 58.87 58.97 1kgg n SER 62 Cb 0.65 -0.49 0.15 0.00 -0.26 0.00 0.00 64.21 64.27 1kgg n SER 62 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1kgg n ASP 63 N -1.49 2.04 -4.71 4.04 8.00 -1.26 -0.81 116.55 122.36 1kgg n ASP 63 Ca 0.01 -3.28 -0.35 0.00 0.71 0.00 0.00 54.79 51.87 1kgg n ASP 63 Cb 0.02 -0.45 -0.09 0.00 -0.02 0.00 0.00 41.12 40.59 1kgg n ASP 63 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1kgg s LYS 64 N -2.83 3.62 0.24 -1.24 2.20 0.01 -4.94 119.74 116.80 1kgg s LYS 64 Ca 0.33 -0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.34 1kgg s LYS 64 Cb 0.30 -3.12 -0.09 0.00 -1.51 0.00 0.00 37.83 33.41 1kgg s LYS 64 CO -0.01 0.50 1.00 1.03 -0.36 0.00 0.00 175.35 177.52 1kgg s ARG 65 N -0.28 4.77 0.10 4.03 0.52 -1.26 -3.87 118.95 122.95 1kgg s ARG 65 Ca 0.09 1.60 -0.01 0.00 -0.52 0.00 0.00 55.73 56.88 1kgg s ARG 65 Cb -0.12 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 1kgg s ARG 65 CO 0.01 0.39 0.03 -0.06 0.02 0.00 0.00 175.30 175.69 1kgg s PHE 66 N -1.07 0.69 0.17 -0.53 0.40 -0.50 -4.91 117.98 112.21 1kgg s PHE 66 Ca 0.43 -1.13 -0.30 0.00 -0.60 0.00 0.00 56.93 55.32 1kgg s PHE 66 Cb -0.28 -0.42 -0.07 0.00 0.51 0.00 0.00 43.02 42.76 1kgg s PHE 66 CO 0.35 -0.47 1.13 0.00 0.70 0.00 0.00 175.22 176.93 1kgg s ALA 67 N -3.99 3.39 -0.13 5.36 0.00 -1.26 -1.25 121.76 123.88 1kgg s ALA 67 Ca 0.16 0.85 0.16 0.00 0.00 0.00 0.00 51.96 53.13 1kgg s ALA 67 Cb 0.07 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1kgg s ALA 67 CO -0.03 -0.27 1.11 0.10 0.00 0.00 0.00 175.76 176.66 1kgg h TYR 68 N 5.31 0.00 0.00 0.00 -0.00 -1.87 -3.47 116.97 116.95 1kgg h TYR 68 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 1kgg h TYR 68 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.94 1kgg h TYR 68 CO 0.63 0.56 0.00 0.00 -0.00 0.00 0.00 178.16 179.35 1kgg n ALA 69 N -2.32 0.00 0.00 0.10 0.00 -1.26 -2.06 120.51 114.97 1kgg n ALA 69 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1kgg n ALA 69 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1kgg n ALA 69 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1kgg n SER 70 N -1.01 0.00 0.17 0.00 7.64 -1.26 -1.26 113.62 117.89 1kgg n SER 70 Ca 0.00 0.02 0.03 0.00 1.01 0.00 0.00 58.87 59.93 1kgg n SER 70 Cb 0.00 -0.02 0.25 0.00 -1.01 0.00 0.00 64.21 63.44 1kgg n SER 70 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1kgg h THR 71 N 0.00 1.04 0.00 0.44 1.35 -1.32 -2.53 112.91 111.88 1kgg h THR 71 Ca 0.00 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 1kgg h THR 71 Cb 0.01 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1kgg h THR 71 CO 0.00 0.46 0.00 -1.54 -0.25 0.00 0.00 175.52 174.19 1kgg n SER 72 N -3.56 0.00 0.28 5.36 3.41 -0.39 -2.12 113.62 116.59 1kgg n SER 72 Ca -0.00 0.45 0.13 0.00 -0.26 0.00 0.00 58.87 59.19 1kgg n SER 72 Cb 0.57 -0.47 0.79 0.00 -0.26 0.00 0.00 64.21 64.84 1kgg n SER 72 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1kgg h LYS 73 N 0.00 0.00 0.00 4.33 1.57 -1.68 -2.00 116.57 118.79 1kgg h LYS 73 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1kgg h LYS 73 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1kgg h LYS 73 CO 0.00 0.06 -0.77 0.00 -0.57 0.00 0.00 179.45 178.17 1kgg h ALA 74 N 1.94 0.64 -0.01 3.86 0.00 -1.66 -2.14 119.26 121.88 1kgg h ALA 74 Ca -0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 1kgg h ALA 74 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1kgg h ALA 74 CO 0.01 0.75 -0.12 0.82 0.00 0.00 0.00 179.25 180.71 1kgg h ILE 75 N 0.00 1.53 -0.02 0.00 2.04 -1.54 -2.60 117.51 116.91 1kgg h ILE 75 Ca -0.04 -1.73 0.02 0.00 1.00 0.00 0.00 64.86 64.11 1kgg h ILE 75 Cb 1.47 2.63 -0.02 0.00 -0.74 0.00 0.00 36.82 40.15 1kgg h ILE 75 CO 0.07 0.46 -0.10 0.78 0.00 0.00 0.00 178.15 179.36 1kgg h ASN 76 N -0.55 -0.28 -0.78 1.72 2.35 -1.47 -0.03 115.58 116.54 1kgg h ASN 76 Ca -0.01 0.05 0.09 0.00 -0.55 0.00 0.00 56.30 55.87 1kgg h ASN 76 Cb 0.82 0.13 -0.07 0.00 0.05 0.00 0.00 38.32 39.24 1kgg h ASN 76 CO 0.02 -0.14 0.44 0.28 -1.65 0.00 0.00 177.43 176.39 1kgg h SER 77 N -0.15 0.62 0.16 5.81 0.02 -1.48 -2.23 113.55 116.31 1kgg h SER 77 Ca 0.05 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 1kgg h SER 77 Cb 0.21 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1kgg h SER 77 CO -0.12 0.36 -0.39 0.00 -1.14 0.00 0.00 176.83 175.55 1kgg h ALA 78 N 1.43 1.08 -0.25 3.77 0.00 -0.94 -1.31 119.26 123.04 1kgg h ALA 78 Ca 0.37 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1kgg h ALA 78 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1kgg h ALA 78 CO -0.24 0.59 -0.50 0.82 0.00 0.00 0.00 179.25 179.92 1kgg h ILE 79 N 0.26 1.30 -0.33 0.00 2.04 -0.49 -2.33 117.51 117.96 1kgg h ILE 79 Ca 0.03 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.16 1kgg h ILE 79 Cb 0.80 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 1kgg h ILE 79 CO 0.06 0.55 0.16 0.25 0.00 0.00 0.00 178.15 179.17 1kgg h LEU 80 N 0.54 0.43 -2.50 1.44 5.85 -1.11 -2.14 115.31 117.81 1kgg h LEU 80 Ca 0.02 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1kgg h LEU 80 Cb 1.06 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1kgg h LEU 80 CO 0.10 0.43 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.54 1kgg h LEU 81 N 0.40 0.00 -1.26 2.25 3.38 -1.17 -0.68 115.31 118.23 1kgg h LEU 81 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1kgg h LEU 81 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1kgg h LEU 81 CO -0.01 0.02 -0.18 -0.33 0.09 0.00 0.00 178.44 178.02 1kgg h GLU 82 N 0.00 0.00 -0.04 1.13 5.08 -0.81 -3.30 114.58 116.63 1kgg h GLU 82 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1kgg h GLU 82 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1kgg h GLU 82 CO 0.00 0.18 0.00 0.00 -1.00 0.00 0.00 179.01 178.20 1kgg n GLN 83 N -3.38 0.61 -3.91 2.33 10.64 -0.31 -4.92 117.38 118.44 1kgg n GLN 83 Ca -0.00 -1.05 -0.29 0.00 -1.83 0.00 0.00 57.00 53.83 1kgg n GLN 83 Cb 0.39 -1.09 -0.16 0.00 -0.86 0.00 0.00 30.24 28.52 1kgg n GLN 83 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1kgg s VAL 84 N -0.55 1.31 0.88 -0.39 1.01 -0.91 -5.11 120.40 116.64 1kgg s VAL 84 Ca 0.06 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 1kgg s VAL 84 Cb 0.04 -1.53 0.10 0.00 0.00 0.00 0.00 36.38 35.00 1kgg s VAL 84 CO 0.06 0.02 1.02 -2.65 0.00 0.00 0.00 175.10 173.54 1kgg n PRO 87 N 4.78 -0.22 -0.05 2.72 -0.02 -1.26 -4.73 135.00 136.23 1kgg n PRO 87 Ca -0.12 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.41 1kgg n PRO 87 Cb 0.46 -2.29 0.41 0.00 -0.02 0.00 0.00 33.50 32.06 1kgg n PRO 87 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1kgg h TYR 88 N -1.49 0.58 0.00 6.00 3.20 -1.96 -2.06 116.97 121.24 1kgg h TYR 88 Ca -0.44 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1kgg h TYR 88 Cb 1.28 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.36 1kgg h TYR 88 CO 0.46 0.35 0.00 -2.95 -1.64 0.00 0.00 178.16 174.39 1kgg h ASN 89 N 0.61 0.00 -0.64 -2.11 -1.07 -2.02 -2.60 115.58 107.75 1kgg h ASN 89 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.56 1kgg h ASN 89 Cb 0.01 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.26 1kgg h ASN 89 CO -0.05 0.00 0.00 0.29 0.07 0.00 0.00 177.43 177.74 1kgg n LYS 90 N -2.71 2.48 0.22 4.14 4.01 -0.78 -4.33 118.16 121.19 1kgg n LYS 90 Ca 0.03 -2.30 0.15 0.00 -0.51 0.00 0.00 58.31 55.68 1kgg n LYS 90 Cb 0.35 -1.50 0.61 0.00 -0.51 0.00 0.00 35.03 33.99 1kgg n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1kgg h LEU 91 N 3.74 0.00 0.00 -0.35 3.38 -1.43 -2.55 115.31 118.10 1kgg h LEU 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kgg h LEU 91 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1kgg h LEU 91 CO 0.00 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.07 1kgg n ASN 92 N -2.78 0.00 -4.61 -0.43 0.23 -1.26 -1.93 115.26 104.49 1kgg n ASN 92 Ca 0.01 0.24 -0.43 0.00 -0.53 0.00 0.00 54.58 53.87 1kgg n ASN 92 Cb 0.28 -0.38 -0.00 0.00 -2.08 0.00 0.00 39.78 37.60 1kgg n ASN 92 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1kgg n LYS 93 N -1.38 1.43 -4.24 -3.83 4.81 -0.96 -4.64 118.16 109.34 1kgg n LYS 93 Ca 0.06 0.50 -0.23 0.00 -0.87 0.00 0.00 58.31 57.78 1kgg n LYS 93 Cb 0.16 -1.96 -0.07 0.00 0.02 0.00 0.00 35.03 33.19 1kgg n LYS 93 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1kgg s LYS 94 N -1.74 2.44 0.06 1.64 1.02 -1.26 -0.27 119.74 121.62 1kgg s LYS 94 Ca 0.60 -1.35 -0.06 0.00 0.02 0.00 0.00 55.97 55.18 1kgg s LYS 94 Cb -0.63 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1kgg s LYS 94 CO 0.59 0.36 0.11 0.14 -0.92 0.00 0.00 175.35 175.63 1kgg s VAL 95 N -2.29 0.15 -0.12 3.17 -7.23 -0.32 -4.91 120.40 108.86 1kgg s VAL 95 Ca 0.32 -1.25 -0.12 0.00 -1.81 0.00 0.00 61.98 59.12 1kgg s VAL 95 Cb -0.06 -1.17 -0.05 0.00 0.56 0.00 0.00 36.38 35.66 1kgg s VAL 95 CO 0.21 -0.69 0.26 -2.28 -0.31 0.00 0.00 175.10 172.29 1kgg s HIS 96 N -3.28 3.56 -0.40 2.82 2.46 -1.26 -0.61 115.29 118.57 1kgg s HIS 96 Ca 0.01 0.64 -0.14 0.00 0.47 0.00 0.00 55.06 56.04 1kgg s HIS 96 Cb 0.03 -2.20 0.02 0.00 -0.13 0.00 0.00 32.58 30.30 1kgg s HIS 96 CO -0.08 0.48 0.27 0.42 -2.47 0.00 0.00 174.74 173.37 1kgg s ILE 97 N -0.33 5.08 0.27 0.89 -1.09 0.38 -5.00 121.20 121.41 1kgg s ILE 97 Ca 0.17 -0.70 0.01 0.00 -2.23 0.00 0.00 60.65 57.90 1kgg s ILE 97 Cb -0.13 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 1kgg s ILE 97 CO 0.06 -0.29 0.45 0.21 -1.23 0.00 0.00 174.94 174.14 1kgg s ASN 98 N 1.65 6.33 0.50 3.58 3.04 -1.26 0.13 114.94 128.90 1kgg s ASN 98 Ca 0.04 0.33 0.27 0.00 0.04 0.00 0.00 52.86 53.54 1kgg s ASN 98 Cb -0.19 -1.98 1.31 0.00 -1.54 0.00 0.00 41.25 38.85 1kgg s ASN 98 CO 0.09 -0.16 2.00 0.50 -3.04 0.00 0.00 177.10 176.49 1kgg h LYS 99 N 1.24 0.00 -0.04 0.43 1.63 -1.95 -1.47 116.57 116.40 1kgg h LYS 99 Ca -0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1kgg h LYS 99 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1kgg h LYS 99 CO 0.63 0.15 0.00 -0.25 -3.45 0.00 0.00 179.45 176.53 1kgg n ASP 100 N -3.50 0.38 -0.01 4.20 9.92 -1.26 -3.28 116.55 122.99 1kgg n ASP 100 Ca -0.01 -1.59 -0.02 0.00 -0.53 0.00 0.00 54.79 52.65 1kgg n ASP 100 Cb 0.30 -0.03 -0.12 0.00 -0.64 0.00 0.00 41.12 40.63 1kgg n ASP 100 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1kgg n ASP 101 N -0.49 0.57 -4.68 -2.24 8.00 -0.55 -4.95 116.55 112.21 1kgg n ASP 101 Ca 0.12 0.25 -0.42 0.00 0.71 0.00 0.00 54.79 55.45 1kgg n ASP 101 Cb 0.11 0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 1kgg n ASP 101 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1kgg s ILE 102 N -2.86 3.64 0.28 0.53 -1.09 -1.21 -4.76 121.20 115.73 1kgg s ILE 102 Ca -0.05 0.94 0.11 0.00 -2.23 0.00 0.00 60.65 59.42 1kgg s ILE 102 Cb 0.09 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 1kgg s ILE 102 CO 0.83 -0.04 -0.18 0.68 -1.23 0.00 0.00 174.94 175.01 1kgg s VAL 103 N 3.04 2.35 0.68 2.92 -7.23 -1.26 -5.04 120.40 115.86 1kgg s VAL 103 Ca 0.67 -2.35 -0.17 0.00 -1.81 0.00 0.00 61.98 58.32 1kgg s VAL 103 Cb -0.32 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1kgg s VAL 103 CO 0.27 -0.39 0.70 0.00 -0.31 0.00 0.00 175.10 175.37 1kgg n ALA 104 N -0.62 -0.87 -3.31 1.32 0.00 -1.26 -3.95 120.51 111.81 1kgg n ALA 104 Ca -0.05 -0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 1kgg n ALA 104 Cb 0.61 -1.95 0.01 0.00 0.00 0.00 0.00 19.45 18.12 1kgg n ALA 104 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1kgg n TYR 105 N -2.20 -2.81 -3.17 0.00 9.36 -1.26 -4.36 117.16 112.72 1kgg n TYR 105 Ca 0.12 1.14 -0.19 0.00 3.32 0.00 0.00 57.90 62.28 1kgg n TYR 105 Cb 0.49 -3.10 -0.04 0.00 -0.63 0.00 0.00 39.34 36.07 1kgg n TYR 105 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1kgg n SER 106 N -1.12 1.06 0.04 2.98 7.64 -1.25 -0.63 113.62 122.33 1kgg n SER 106 Ca -0.07 -3.03 0.22 0.00 1.01 0.00 0.00 58.87 56.99 1kgg n SER 106 Cb 0.59 -0.62 0.72 0.00 -1.01 0.00 0.00 64.21 63.90 1kgg n SER 106 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1kgg h PRO 107 N 3.11 0.00 0.00 1.43 0.13 -1.93 -2.44 132.00 132.30 1kgg h PRO 107 Ca 0.10 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.86 1kgg h PRO 107 Cb 0.92 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.00 1kgg h PRO 107 CO 0.52 0.00 -2.09 -0.89 -0.23 0.00 0.00 178.00 175.32 1kgg n ILE 108 N -3.75 1.53 0.30 -3.56 2.08 -1.26 -4.55 119.36 110.14 1kgg n ILE 108 Ca 0.10 -0.25 0.19 0.00 0.56 0.00 0.00 62.75 63.35 1kgg n ILE 108 Cb 0.72 -1.96 0.88 0.00 -0.75 0.00 0.00 39.64 38.53 1kgg n ILE 108 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1kgg h LEU 109 N -1.00 0.00 -1.65 1.39 -0.00 -1.95 -2.83 115.31 109.27 1kgg h LEU 109 Ca -0.56 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.32 1kgg h LEU 109 Cb 1.47 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.12 1kgg h LEU 109 CO -0.34 0.01 0.22 1.05 -0.00 0.00 0.00 178.44 179.38 1kgg h GLU 110 N 0.00 0.45 0.00 1.13 4.11 -1.68 -0.59 114.58 118.00 1kgg h GLU 110 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1kgg h GLU 110 Cb 0.32 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1kgg h GLU 110 CO 0.00 0.31 0.00 1.63 0.07 0.00 0.00 179.01 181.02 1kgg n LYS 111 N -4.48 0.21 -0.50 1.06 4.76 -1.07 -3.37 118.16 114.77 1kgg n LYS 111 Ca 0.02 0.42 0.09 0.00 -2.87 0.00 0.00 58.31 55.97 1kgg n LYS 111 Cb 0.07 -1.89 0.31 0.00 -1.84 0.00 0.00 35.03 31.68 1kgg n LYS 111 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1kgg n TYR 112 N -2.28 1.23 -1.83 2.13 4.02 -0.23 -4.94 117.16 115.26 1kgg n TYR 112 Ca 0.02 -0.51 -0.42 0.00 -0.01 0.00 0.00 57.90 56.98 1kgg n TYR 112 Cb 0.24 -0.18 -0.03 0.00 -0.02 0.00 0.00 39.34 39.35 1kgg n TYR 112 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1kgg s VAL 113 N -1.67 2.66 -0.60 -0.72 1.01 -1.22 -1.50 120.40 118.36 1kgg s VAL 113 Ca 0.45 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1kgg s VAL 113 Cb 0.28 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1kgg s VAL 113 CO 0.24 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1kgg n GLY 114 N 4.03 0.55 3.38 4.51 0.00 0.34 -5.01 105.19 112.99 1kgg n GLY 114 Ca 0.16 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 1kgg n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kgg s LYS 115 N -3.24 1.57 0.07 1.61 1.02 -0.57 -4.94 119.74 115.26 1kgg s LYS 115 Ca 0.00 -1.88 0.02 0.00 0.02 0.00 0.00 55.97 54.13 1kgg s LYS 115 Cb 0.00 -0.43 -0.04 0.00 -0.52 0.00 0.00 37.83 36.84 1kgg s LYS 115 CO 0.00 -0.32 0.09 -0.51 -0.92 0.00 0.00 175.35 173.69 1kgg s ASP 116 N -3.41 5.65 -0.00 2.83 1.01 -1.26 -0.47 116.67 121.02 1kgg s ASP 116 Ca 0.35 0.04 -0.00 0.00 0.71 0.00 0.00 52.55 53.66 1kgg s ASP 116 Cb 0.07 -1.56 0.00 0.00 1.01 0.00 0.00 42.92 42.44 1kgg s ASP 116 CO 0.15 0.19 0.01 -0.51 0.21 0.00 0.00 175.17 175.21 1kgg s ILE 117 N -1.37 0.00 0.77 0.77 2.07 0.22 -4.91 121.20 118.75 1kgg s ILE 117 Ca 0.29 -0.02 -0.11 0.00 -1.41 0.00 0.00 60.65 59.40 1kgg s ILE 117 Cb -0.12 -0.02 0.06 0.00 0.13 0.00 0.00 42.46 42.50 1kgg s ILE 117 CO 0.22 -0.01 1.09 0.42 -1.91 0.00 0.00 174.94 174.74 1kgg s THR 118 N -0.02 3.31 0.26 4.00 -4.23 -1.26 -1.17 115.64 116.53 1kgg s THR 118 Ca -0.00 0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.91 1kgg s THR 118 Cb -0.00 -3.15 0.10 0.00 1.34 0.00 0.00 72.50 70.79 1kgg s THR 118 CO -0.00 -0.55 1.75 -0.07 -0.54 0.00 0.00 174.62 175.21 1kgg h LEU 119 N -1.02 0.74 -0.11 4.79 3.38 -0.32 -2.11 115.31 120.66 1kgg h LEU 119 Ca -0.46 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.33 1kgg h LEU 119 Cb 1.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1kgg h LEU 119 CO 0.58 0.83 0.05 0.50 0.09 0.00 0.00 178.44 180.48 1kgg h LYS 120 N 0.71 0.11 0.00 1.13 3.64 -1.65 -1.85 116.57 118.65 1kgg h LYS 120 Ca 0.13 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1kgg h LYS 120 Cb 0.48 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1kgg h LYS 120 CO 0.02 0.07 -0.25 0.00 -2.27 0.00 0.00 179.45 177.03 1kgg h ALA 121 N 1.06 1.50 -0.19 5.00 0.00 -1.83 -1.63 119.26 123.18 1kgg h ALA 121 Ca 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1kgg h ALA 121 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1kgg h ALA 121 CO -0.04 0.31 0.01 -0.07 0.00 0.00 0.00 179.25 179.46 1kgg h LEU 122 N 0.00 0.31 -0.67 0.00 3.38 -0.81 -1.89 115.31 115.63 1kgg h LEU 122 Ca -0.00 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1kgg h LEU 122 Cb 0.46 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1kgg h LEU 122 CO 0.03 0.54 0.39 0.40 0.09 0.00 0.00 178.44 179.88 1kgg h ILE 123 N 0.08 1.20 -0.64 1.22 2.04 -1.01 -1.28 117.51 119.12 1kgg h ILE 123 Ca 0.05 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 1kgg h ILE 123 Cb 0.37 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1kgg h ILE 123 CO 0.01 0.22 0.17 -0.33 0.00 0.00 0.00 178.15 178.22 1kgg h GLU 124 N 0.92 1.01 -0.23 2.37 5.08 -1.31 -0.50 114.58 121.90 1kgg h GLU 124 Ca 0.24 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1kgg h GLU 124 Cb 0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1kgg h GLU 124 CO -0.04 0.90 -0.51 0.00 -1.00 0.00 0.00 179.01 178.35 1kgg h ALA 125 N 1.06 0.66 0.14 3.43 0.00 -1.05 0.49 119.26 123.99 1kgg h ALA 125 Ca 0.20 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1kgg h ALA 125 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1kgg h ALA 125 CO -0.00 0.68 -0.07 1.03 0.00 0.00 0.00 179.25 180.89 1kgg h SER 126 N 0.51 -0.16 -0.20 0.00 0.87 -1.17 -1.21 113.55 112.19 1kgg h SER 126 Ca 0.02 -0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.28 1kgg h SER 126 Cb 1.07 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1kgg h SER 126 CO 0.10 0.18 -0.06 0.24 -0.53 0.00 0.00 176.83 176.76 1kgg h MET 127 N -0.52 0.39 0.00 2.24 2.07 -1.10 -2.46 114.93 115.55 1kgg h MET 127 Ca -0.02 -0.16 -0.18 0.00 -2.07 0.00 0.00 59.70 57.27 1kgg h MET 127 Cb 0.41 -0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 30.09 1kgg h MET 127 CO 0.03 0.66 -1.23 1.15 1.07 0.00 0.00 176.91 178.59 1kgg h THR 128 N 0.10 0.75 0.00 2.22 2.02 -1.01 -3.38 112.91 113.61 1kgg h THR 128 Ca 0.05 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.93 1kgg h THR 128 Cb 0.52 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 1kgg h THR 128 CO 0.02 0.43 -0.04 -1.22 0.37 0.00 0.00 175.52 175.08 1kgg n TYR 129 N -3.03 0.00 -4.23 3.16 4.02 -0.55 -4.87 117.16 111.66 1kgg n TYR 129 Ca -0.07 -0.53 -0.34 0.00 -0.01 0.00 0.00 57.90 56.95 1kgg n TYR 129 Cb 0.86 -0.07 -0.07 0.00 -0.02 0.00 0.00 39.34 40.04 1kgg n TYR 129 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1kgg n SER 130 N -0.65 -0.14 -4.70 7.72 2.88 -0.93 -4.79 113.62 113.00 1kgg n SER 130 Ca 0.05 -1.26 -0.42 0.00 -1.33 0.00 0.00 58.87 55.91 1kgg n SER 130 Cb 0.44 -1.55 -0.03 0.00 -0.75 0.00 0.00 64.21 62.32 1kgg n SER 130 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1kgg s ASP 131 N -4.18 6.93 0.10 -3.46 -1.08 -0.68 -4.87 116.67 109.42 1kgg s ASP 131 Ca 0.11 2.12 -0.08 0.00 -0.52 0.00 0.00 52.55 54.17 1kgg s ASP 131 Cb -0.06 -2.57 -0.18 0.00 -1.46 0.00 0.00 42.92 38.64 1kgg s ASP 131 CO 0.97 -0.61 1.22 0.78 0.52 0.00 0.00 175.17 178.05 1kgg h ASN 132 N 7.18 0.65 -0.36 -0.34 2.35 -1.07 -2.68 115.58 121.31 1kgg h ASN 132 Ca -0.40 -0.56 -0.03 0.00 -0.55 0.00 0.00 56.30 54.76 1kgg h ASN 132 Cb 1.20 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 1kgg h ASN 132 CO 0.86 1.37 0.10 0.74 -1.65 0.00 0.00 177.43 178.85 1kgg h THR 133 N 0.24 1.22 -0.43 2.81 2.02 -1.78 -1.22 112.91 115.77 1kgg h THR 133 Ca -0.12 -0.73 0.08 0.00 0.77 0.00 0.00 66.41 66.40 1kgg h THR 133 Cb 1.72 1.01 -0.06 0.00 -1.74 0.00 0.00 68.15 69.07 1kgg h THR 133 CO 0.19 0.25 0.04 0.00 0.37 0.00 0.00 175.52 176.37 1kgg h ALA 134 N 0.94 0.43 -0.57 6.16 0.00 -1.89 0.25 119.26 124.58 1kgg h ALA 134 Ca 0.12 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1kgg h ALA 134 Cb 0.28 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1kgg h ALA 134 CO -0.00 -0.36 0.06 -0.97 0.00 0.00 0.00 179.25 177.98 1kgg h ASN 135 N 0.16 0.90 -0.60 0.00 -1.24 -1.28 0.29 115.58 113.81 1kgg h ASN 135 Ca 0.21 -0.21 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 1kgg h ASN 135 Cb 0.29 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 1kgg h ASN 135 CO -0.32 0.93 0.05 0.78 -1.29 0.00 0.00 177.43 177.58 1kgg h ASN 136 N 0.88 1.00 -0.49 1.15 -0.26 0.07 -1.24 115.58 116.69 1kgg h ASN 136 Ca 0.17 -0.28 -0.08 0.00 -0.56 0.00 0.00 56.30 55.55 1kgg h ASN 136 Cb 0.43 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 1kgg h ASN 136 CO 0.01 1.04 -0.01 0.50 -1.06 0.00 0.00 177.43 177.92 1kgg h LYS 137 N 0.94 0.88 -0.89 0.81 1.63 -0.23 -0.38 116.57 119.33 1kgg h LYS 137 Ca 0.18 -0.28 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1kgg h LYS 137 Cb 0.49 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.00 1kgg h LYS 137 CO 0.02 0.92 0.52 0.82 -3.45 0.00 0.00 179.45 178.28 1kgg h ILE 138 N 0.74 1.25 -0.49 2.00 2.04 -0.83 0.37 117.51 122.58 1kgg h ILE 138 Ca 0.14 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 1kgg h ILE 138 Cb 0.53 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1kgg h ILE 138 CO 0.03 0.27 0.07 0.40 0.00 0.00 0.00 178.15 178.92 1kgg h ILE 139 N 1.24 1.23 -0.32 -0.67 2.04 -0.80 -1.50 117.51 118.71 1kgg h ILE 139 Ca 0.32 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1kgg h ILE 139 Cb -0.02 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1kgg h ILE 139 CO -0.06 0.31 0.08 0.11 0.00 0.00 0.00 178.15 178.60 1kgg h LYS 140 N 0.74 0.51 -0.34 2.37 1.79 0.88 0.20 116.57 122.72 1kgg h LYS 140 Ca 0.16 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1kgg h LYS 140 Cb 0.35 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 1kgg h LYS 140 CO 0.01 0.58 0.16 0.93 -1.08 0.00 0.00 179.45 180.05 1kgg h GLU 141 N 0.36 0.47 0.00 3.15 4.39 0.16 -1.16 114.58 121.95 1kgg h GLU 141 Ca 0.10 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 1kgg h GLU 141 Cb 0.29 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1kgg h GLU 141 CO 0.00 0.37 -0.55 0.82 -1.16 0.00 0.00 179.01 178.50 1kgg h ILE 142 N 0.48 1.08 0.00 3.13 2.04 -1.15 -3.48 117.51 119.61 1kgg h ILE 142 Ca 0.12 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.87 1kgg h ILE 142 Cb 0.06 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1kgg h ILE 142 CO -0.02 0.53 0.00 0.61 0.00 0.00 0.00 178.15 179.28 1kgg n GLY 143 N 0.71 1.35 0.00 5.37 0.00 -0.44 -4.89 105.19 107.30 1kgg n GLY 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kgg n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kgg n GLY 144 N 0.00 -0.09 0.37 -0.02 0.00 0.64 -4.19 105.19 101.90 1kgg n GLY 144 Ca 0.00 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.37 1kgg n GLY 144 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1kgg h ILE 145 N 0.00 0.78 -0.46 -0.61 1.08 -1.97 -0.31 117.51 116.02 1kgg h ILE 145 Ca 0.00 -0.23 0.05 0.00 -0.39 0.00 0.00 64.86 64.29 1kgg h ILE 145 Cb 0.00 0.04 -0.05 0.00 -3.07 0.00 0.00 36.82 33.74 1kgg h ILE 145 CO 0.00 0.12 0.19 0.11 -0.69 0.00 0.00 178.15 177.89 1kgg h LYS 146 N 0.68 0.38 -0.49 2.37 6.56 -1.98 0.51 116.57 124.61 1kgg h LYS 146 Ca 0.49 -0.02 -0.08 0.00 -1.06 0.00 0.00 60.65 59.97 1kgg h LYS 146 Cb 0.83 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 32.39 1kgg h LYS 146 CO -0.25 0.25 -0.02 0.87 -2.06 0.00 0.00 179.45 178.24 1kgg h LYS 147 N 0.39 0.88 -0.53 3.15 1.79 -1.26 -2.10 116.57 118.89 1kgg h LYS 147 Ca 0.21 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1kgg h LYS 147 Cb 0.17 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 1kgg h LYS 147 CO -0.19 0.93 0.23 0.28 -1.08 0.00 0.00 179.45 179.62 1kgg h VAL 148 N 0.73 1.21 -0.22 0.50 2.07 -0.30 -2.35 116.25 117.89 1kgg h VAL 148 Ca 0.14 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1kgg h VAL 148 Cb 0.55 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1kgg h VAL 148 CO 0.03 0.24 -0.02 0.50 0.02 0.00 0.00 177.57 178.34 1kgg h LYS 149 N 0.71 0.33 -0.22 1.57 1.63 0.08 -2.41 116.57 118.27 1kgg h LYS 149 Ca 0.18 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.85 1kgg h LYS 149 Cb 0.16 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 1kgg h LYS 149 CO -0.02 0.38 -0.13 0.37 -3.45 0.00 0.00 179.45 176.60 1kgg h GLN 150 N 0.32 0.47 -0.62 1.90 4.15 -0.95 -2.71 115.11 117.67 1kgg h GLN 150 Ca 0.07 -0.22 0.08 0.00 0.77 0.00 0.00 58.65 59.35 1kgg h GLN 150 Cb 0.26 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.88 1kgg h GLN 150 CO 0.01 0.77 0.29 -0.09 -1.93 0.00 0.00 178.83 177.87 1kgg h ARG 151 N 0.17 0.50 -0.00 1.69 9.65 -0.95 -0.94 114.38 124.51 1kgg h ARG 151 Ca 0.05 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1kgg h ARG 151 Cb 0.64 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.09 1kgg h ARG 151 CO 0.04 0.33 -0.08 -0.07 2.80 0.00 0.00 179.97 183.00 1kgg h LEU 152 N 0.52 -0.22 -0.68 3.80 3.38 -1.44 -0.33 115.31 120.35 1kgg h LEU 152 Ca 0.30 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.39 1kgg h LEU 152 Cb 0.29 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 1kgg h LEU 152 CO -0.25 -0.11 0.33 0.11 0.09 0.00 0.00 178.44 178.62 1kgg h LYS 153 N -0.13 0.56 0.00 1.13 1.79 -1.13 0.43 116.57 119.22 1kgg h LYS 153 Ca 0.03 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1kgg h LYS 153 Cb 0.17 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1kgg h LYS 153 CO -0.08 0.37 -0.06 0.93 -1.08 0.00 0.00 179.45 179.53 1kgg h GLU 154 N 0.58 0.00 -0.01 3.15 5.08 -0.74 0.44 114.58 123.08 1kgg h GLU 154 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1kgg h GLU 154 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1kgg h GLU 154 CO -0.26 0.06 -0.07 1.28 -1.00 0.00 0.00 179.01 179.02 1kgg n LEU 155 N -4.22 0.61 0.00 1.33 4.77 0.87 -4.88 117.00 115.48 1kgg n LEU 155 Ca -0.03 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1kgg n LEU 155 Cb 0.14 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1kgg n LEU 155 CO 0.33 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1kgg n GLY 156 N 1.20 0.74 3.45 -0.72 0.00 0.15 -4.92 105.19 105.09 1kgg n GLY 156 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 1kgg n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1kgg s ASP 157 N -2.47 6.47 0.00 1.61 -1.08 0.12 -4.74 116.67 116.58 1kgg s ASP 157 Ca 0.00 -1.70 0.25 0.00 -0.52 0.00 0.00 52.55 50.58 1kgg s ASP 157 Cb 0.00 -2.40 0.53 0.00 -1.46 0.00 0.00 42.92 39.59 1kgg s ASP 157 CO 0.00 -1.18 1.43 0.29 0.52 0.00 0.00 175.17 176.23 1kgg n LYS 158 N 6.89 1.19 -0.03 4.34 4.76 -1.26 -3.24 118.16 130.81 1kgg n LYS 158 Ca 0.14 -0.83 -0.02 0.00 -2.87 0.00 0.00 58.31 54.73 1kgg n LYS 158 Cb 0.48 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.18 1kgg n LYS 158 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1kgg h VAL 159 N 2.03 0.00 -1.00 -0.18 2.07 -1.96 -3.46 116.25 113.75 1kgg h VAL 159 Ca 0.00 -0.49 -0.77 0.00 0.82 0.00 0.00 66.70 66.27 1kgg h VAL 159 Cb 0.62 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1kgg h VAL 159 CO 0.00 0.00 1.04 0.41 0.02 0.00 0.00 177.57 179.04 1kgg n THR 160 N -3.40 0.15 -3.83 2.57 -1.04 -1.26 -4.79 114.28 102.67 1kgg n THR 160 Ca -0.03 -0.07 -0.32 0.00 -2.04 0.00 0.00 64.05 61.59 1kgg n THR 160 Cb 0.11 -0.98 -0.11 0.00 -1.82 0.00 0.00 70.33 67.53 1kgg n THR 160 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1kgg s ASN 161 N 4.67 4.95 -0.05 8.00 2.47 -0.73 -5.03 114.94 129.22 1kgg s ASN 161 Ca 1.07 -3.37 -0.27 0.00 0.42 0.00 0.00 52.86 50.71 1kgg s ASN 161 Cb -1.22 -1.73 -0.03 0.00 -1.45 0.00 0.00 41.25 36.82 1kgg s ASN 161 CO 0.66 -0.21 0.87 -2.16 -3.72 0.00 0.00 177.10 172.55 1kgg s PRO 162 N -0.79 4.48 0.01 0.43 0.04 -1.26 0.51 135.00 138.42 1kgg s PRO 162 Ca 0.21 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1kgg s PRO 162 Cb -0.15 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.91 1kgg s PRO 162 CO -0.08 -0.07 0.00 0.28 0.04 0.00 0.00 177.00 177.17 1kgg n VAL 163 N 4.02 0.14 -3.51 -0.36 0.31 -1.26 -4.84 118.33 112.83 1kgg n VAL 163 Ca 0.04 0.05 -0.20 0.00 -0.01 0.00 0.00 64.34 64.21 1kgg n VAL 163 Cb 0.51 -1.45 -0.02 0.00 -0.91 0.00 0.00 33.84 31.96 1kgg n VAL 163 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1kgg s ARG 164 N -2.00 2.68 0.00 5.55 1.81 -1.26 -5.05 118.95 120.68 1kgg s ARG 164 Ca 0.00 -1.38 0.00 0.00 -1.72 0.00 0.00 55.73 52.63 1kgg s ARG 164 Cb 0.00 -2.51 0.00 0.00 -0.45 0.00 0.00 34.95 31.99 1kgg s ARG 164 CO 0.00 -0.12 0.00 0.66 -0.68 0.00 0.00 175.30 175.16 1kgg n TYR 165 N -1.57 0.00 -3.63 -0.53 4.02 -1.26 -4.81 117.16 109.37 1kgg n TYR 165 Ca 0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.89 1kgg n TYR 165 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.90 1kgg n TYR 165 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1kgg s GLN 166 N 0.11 0.11 0.00 -0.72 -2.07 -1.26 -3.73 119.66 112.10 1kgg s GLN 166 Ca 0.00 -0.02 0.26 0.00 -1.82 0.00 0.00 55.36 53.79 1kgg s GLN 166 Cb 0.00 0.05 1.50 0.00 -1.09 0.00 0.00 33.01 33.47 1kgg s GLN 166 CO 0.00 -0.04 1.91 0.44 -1.32 0.00 0.00 175.29 176.28 1kgg n ILE 167 N 0.20 0.05 0.32 3.63 -5.35 -1.26 -4.80 119.36 112.15 1kgg n ILE 167 Ca 0.02 0.01 0.16 0.00 -0.27 0.00 0.00 62.75 62.67 1kgg n ILE 167 Cb 0.58 -0.60 0.82 0.00 -1.74 0.00 0.00 39.64 38.70 1kgg n ILE 167 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1kgg h GLU 168 N 0.00 0.00 0.00 6.28 4.81 -1.98 0.29 114.58 123.98 1kgg h GLU 168 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1kgg h GLU 168 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1kgg h GLU 168 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 179.01 178.17 1kgg n LEU 169 N -2.93 0.00 0.02 1.64 7.94 -1.24 -2.06 117.00 120.37 1kgg n LEU 169 Ca -0.02 0.37 -0.04 0.00 -1.11 0.00 0.00 56.01 55.21 1kgg n LEU 169 Cb 0.39 -0.37 -0.10 0.00 0.53 0.00 0.00 43.42 43.87 1kgg n LEU 169 CO 0.14 -0.24 -0.25 0.44 -1.11 0.00 0.00 177.39 176.36 1kgg h ASP 170 N 0.00 0.00 -2.96 1.96 3.32 -1.26 -3.41 116.42 114.07 1kgg h ASP 170 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1kgg h ASP 170 Cb 0.12 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.68 1kgg h ASP 170 CO 0.00 0.81 0.77 -0.47 -1.72 0.00 0.00 179.24 178.64 1kgg s TYR 171 N -2.76 3.02 0.03 4.55 5.04 -0.87 0.86 117.35 127.23 1kgg s TYR 171 Ca -0.02 0.90 0.04 0.00 -2.44 0.00 0.00 57.07 55.55 1kgg s TYR 171 Cb 0.08 -3.64 -0.02 0.00 0.35 0.00 0.00 41.96 38.73 1kgg s TYR 171 CO 0.81 -2.31 -0.12 -0.47 -1.34 0.00 0.00 175.55 172.12 1kgg s TYR 172 N 1.89 1.06 -0.12 4.97 5.04 -1.26 -4.92 117.35 124.01 1kgg s TYR 172 Ca 0.64 -0.35 -0.10 0.00 -2.44 0.00 0.00 57.07 54.82 1kgg s TYR 172 Cb -0.33 -0.63 0.03 0.00 0.35 0.00 0.00 41.96 41.38 1kgg s TYR 172 CO 0.28 0.01 0.31 0.45 -1.34 0.00 0.00 175.55 175.26 1kgg s SER 173 N -1.09 -0.33 0.47 4.32 0.15 -1.26 -4.69 113.70 111.27 1kgg s SER 173 Ca -0.00 0.63 0.21 0.00 0.70 0.00 0.00 55.95 57.49 1kgg s SER 173 Cb -0.08 0.62 1.16 0.00 -1.71 0.00 0.00 66.02 66.02 1kgg s SER 173 CO 0.01 -0.12 1.99 -0.65 1.20 0.00 0.00 173.24 175.67 1kgg h PRO 174 N 5.88 0.00 -0.58 5.44 0.11 -2.00 -2.58 132.00 138.27 1kgg h PRO 174 Ca -0.28 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.74 1kgg h PRO 174 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1kgg h PRO 174 CO 0.32 0.19 0.02 1.57 -0.21 0.00 0.00 178.00 179.89 1kgg h LYS 175 N 0.00 0.99 -6.40 1.05 2.10 -2.03 -3.45 116.57 108.82 1kgg h LYS 175 Ca -0.00 -0.29 -0.62 0.00 -2.00 0.00 0.00 60.65 57.74 1kgg h LYS 175 Cb 0.43 -0.10 -0.13 0.00 -0.90 0.00 0.00 32.23 31.53 1kgg h LYS 175 CO 0.03 0.96 -0.70 0.45 -2.00 0.00 0.00 179.45 178.18 1kgg s SER 176 N -6.59 4.39 -0.14 7.07 0.15 -0.97 -5.03 113.70 112.58 1kgg s SER 176 Ca -0.11 -0.54 0.15 0.00 0.70 0.00 0.00 55.95 56.15 1kgg s SER 176 Cb 0.14 -0.80 0.54 0.00 -1.71 0.00 0.00 66.02 64.19 1kgg s SER 176 CO 0.84 0.09 1.45 2.29 1.20 0.00 0.00 173.24 179.11 1kgg n LYS 177 N -0.07 3.23 -2.58 5.44 2.85 -1.26 -4.61 118.16 121.16 1kgg n LYS 177 Ca -0.10 -2.71 -0.41 0.00 -1.05 0.00 0.00 58.31 54.04 1kgg n LYS 177 Cb 0.56 -1.77 -0.04 0.00 -0.65 0.00 0.00 35.03 33.13 1kgg n LYS 177 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1kgg s LYS 178 N -2.29 4.60 -1.54 -1.58 0.00 -1.26 -3.07 119.74 114.60 1kgg s LYS 178 Ca 0.40 1.62 -0.03 0.00 0.00 0.00 0.00 55.97 57.97 1kgg s LYS 178 Cb 0.30 -3.33 0.00 0.00 0.00 0.00 0.00 37.83 34.80 1kgg s LYS 178 CO 0.13 0.06 0.34 -0.25 0.00 0.00 0.00 175.35 175.64 1kgg n ASP 179 N 2.81 -5.75 -4.45 0.03 8.00 0.18 -4.93 116.55 112.45 1kgg n ASP 179 Ca 0.04 -0.17 -0.22 0.00 0.71 0.00 0.00 54.79 55.14 1kgg n ASP 179 Cb 0.47 -4.66 -0.10 0.00 -0.02 0.00 0.00 41.12 36.81 1kgg n ASP 179 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1kgg s THR 180 N -3.07 1.98 0.20 -3.53 -4.23 -1.17 -2.96 115.64 102.85 1kgg s THR 180 Ca 0.17 -2.22 -0.17 0.00 -1.18 0.00 0.00 61.69 58.29 1kgg s THR 180 Cb -0.07 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.40 1kgg s THR 180 CO 0.21 -0.35 0.51 -0.55 -0.54 0.00 0.00 174.62 173.90 1kgg s SER 181 N -3.47 -0.23 0.12 3.99 0.15 -0.38 -1.77 113.70 112.10 1kgg s SER 181 Ca 0.29 -0.53 -0.02 0.00 0.70 0.00 0.00 55.95 56.40 1kgg s SER 181 Cb 0.01 0.57 -0.05 0.00 -1.71 0.00 0.00 66.02 64.84 1kgg s SER 181 CO 0.13 -1.05 0.31 0.42 1.20 0.00 0.00 173.24 174.24 1kgg s THR 182 N -3.89 5.27 0.45 6.45 -4.23 -1.26 -1.42 115.64 117.02 1kgg s THR 182 Ca 0.10 -0.25 0.17 0.00 -1.18 0.00 0.00 61.69 60.53 1kgg s THR 182 Cb -0.01 -3.65 0.36 0.00 1.34 0.00 0.00 72.50 70.54 1kgg s THR 182 CO -0.02 0.03 1.95 -0.65 -0.54 0.00 0.00 174.62 175.39 1kgg h PRO 183 N 2.74 0.33 0.06 3.99 0.11 -1.62 -2.14 132.00 135.47 1kgg h PRO 183 Ca -0.46 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1kgg h PRO 183 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1kgg h PRO 183 CO 0.73 0.22 -0.03 0.00 -0.21 0.00 0.00 178.00 178.70 1kgg h ALA 184 N 1.67 -0.08 -0.03 -0.75 0.00 -1.30 -2.20 119.26 116.58 1kgg h ALA 184 Ca 0.33 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1kgg h ALA 184 Cb 0.81 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1kgg h ALA 184 CO -0.09 -0.30 -0.32 0.00 0.00 0.00 0.00 179.25 178.54 1kgg h ALA 185 N 0.31 -0.45 -0.19 0.00 0.00 -1.69 0.27 119.26 117.50 1kgg h ALA 185 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1kgg h ALA 185 Cb 0.50 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1kgg h ALA 185 CO 0.01 -0.83 0.05 0.35 0.00 0.00 0.00 179.25 178.83 1kgg h PHE 186 N -0.46 0.26 0.10 0.00 3.57 -1.49 -1.19 116.94 117.73 1kgg h PHE 186 Ca 0.07 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1kgg h PHE 186 Cb 0.56 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1kgg h PHE 186 CO -0.36 0.24 -0.05 0.78 -2.23 0.00 0.00 178.31 176.69 1kgg h GLY 187 N 0.45 -0.14 1.00 2.40 0.00 -0.56 -0.75 103.07 105.46 1kgg h GLY 187 Ca 0.07 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.47 1kgg h GLY 187 CO -0.00 -0.05 0.65 0.50 0.00 0.00 0.00 176.54 177.64 1kgg h LYS 188 N -0.59 1.27 0.17 4.80 1.57 -0.11 -2.08 116.57 121.61 1kgg h LYS 188 Ca -0.01 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1kgg h LYS 188 Cb 0.47 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1kgg h LYS 188 CO 0.02 0.84 -0.08 1.15 -0.57 0.00 0.00 179.45 180.82 1kgg h THR 189 N 1.31 0.91 -0.79 -0.16 2.02 -1.17 -1.87 112.91 113.16 1kgg h THR 189 Ca 0.37 -0.37 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1kgg h THR 189 Cb -0.11 1.14 -0.08 0.00 -1.74 0.00 0.00 68.15 67.36 1kgg h THR 189 CO -0.09 0.09 0.41 -0.07 0.37 0.00 0.00 175.52 176.22 1kgg h LEU 190 N -0.40 0.53 -0.21 2.58 3.38 -0.90 -1.98 115.31 118.31 1kgg h LEU 190 Ca -0.02 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1kgg h LEU 190 Cb 0.31 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1kgg h LEU 190 CO 0.04 0.27 0.10 -1.13 0.09 0.00 0.00 178.44 177.80 1kgg h ASN 191 N 0.65 0.28 0.58 -0.43 -0.00 -1.17 -2.19 115.58 113.29 1kgg h ASN 191 Ca 0.41 -0.13 -0.04 0.00 -0.00 0.00 0.00 56.30 56.53 1kgg h ASN 191 Cb 0.49 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.73 1kgg h ASN 191 CO -0.31 0.34 -0.20 0.11 -0.00 0.00 0.00 177.43 177.37 1kgg h LYS 192 N 0.20 0.00 0.13 6.67 1.57 -0.76 0.12 116.57 124.51 1kgg h LYS 192 Ca 0.07 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.56 1kgg h LYS 192 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1kgg h LYS 192 CO -0.01 0.20 -1.51 -0.07 -0.57 0.00 0.00 179.45 177.49 1kgg h LEU 193 N 0.00 0.42 0.00 2.94 3.38 -1.30 -3.08 115.31 117.67 1kgg h LEU 193 Ca -0.00 -0.87 -0.07 0.00 0.09 0.00 0.00 57.88 57.03 1kgg h LEU 193 Cb 0.54 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1kgg h LEU 193 CO 0.03 1.66 -1.03 -0.38 0.09 0.00 0.00 178.44 178.81 1kgg n ILE 194 N -3.84 1.38 -0.02 1.22 5.41 -0.83 -4.13 119.36 118.55 1kgg n ILE 194 Ca -0.25 0.11 0.01 0.00 1.00 0.00 0.00 62.75 63.62 1kgg n ILE 194 Cb 0.94 -2.09 0.34 0.00 -0.71 0.00 0.00 39.64 38.11 1kgg n ILE 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1kgg h ALA 195 N -0.75 1.49 -1.46 -1.39 0.00 -1.38 -3.37 119.26 112.40 1kgg h ALA 195 Ca -0.10 -0.13 -0.27 0.00 0.00 0.00 0.00 54.91 54.41 1kgg h ALA 195 Cb 0.89 -0.17 -0.24 0.00 0.00 0.00 0.00 17.79 18.28 1kgg h ALA 195 CO -0.06 0.38 -0.62 1.21 0.00 0.00 0.00 179.25 180.16 1kgg s ASN 196 N -6.69 -0.38 0.00 0.00 2.47 0.35 -5.02 114.94 105.68 1kgg s ASN 196 Ca -0.08 -1.84 0.00 0.00 0.42 0.00 0.00 52.86 51.36 1kgg s ASN 196 Cb 0.16 1.17 0.00 0.00 -1.45 0.00 0.00 41.25 41.13 1kgg s ASN 196 CO 0.75 -0.13 0.00 0.61 -3.72 0.00 0.00 177.10 174.61 1kgg n GLY 197 N 3.40 5.23 0.30 1.21 0.00 -1.16 -4.42 105.19 109.75 1kgg n GLY 197 Ca 0.18 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.48 1kgg n GLY 197 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kgg n LYS 198 N 0.00 1.58 -1.73 1.61 4.76 -1.26 -5.00 118.16 118.12 1kgg n LYS 198 Ca 0.00 -0.79 -0.42 0.00 -2.87 0.00 0.00 58.31 54.23 1kgg n LYS 198 Cb 0.00 -1.13 -0.01 0.00 -1.84 0.00 0.00 35.03 32.04 1kgg n LYS 198 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1kgg n LEU 199 N 0.03 4.12 -4.70 -0.35 4.77 -1.26 -4.97 117.00 114.63 1kgg n LEU 199 Ca 0.05 1.16 -0.29 0.00 -0.03 0.00 0.00 56.01 56.90 1kgg n LEU 199 Cb 0.24 -1.56 0.17 0.00 -2.33 0.00 0.00 43.42 39.94 1kgg n LEU 199 CO 0.11 -0.02 0.66 -0.94 -1.33 0.00 0.00 177.39 175.88 1kgg s SER 200 N 0.32 2.82 0.18 -1.43 1.04 -1.26 -4.81 113.70 110.57 1kgg s SER 200 Ca 0.63 1.12 -0.13 0.00 0.48 0.00 0.00 55.95 58.05 1kgg s SER 200 Cb -0.53 -1.77 0.12 0.00 0.10 0.00 0.00 66.02 63.94 1kgg s SER 200 CO 0.52 -3.00 1.80 0.50 0.98 0.00 0.00 173.24 174.04 1kgg h LYS 201 N -1.80 0.55 -0.53 4.02 1.63 -1.99 -1.71 116.57 116.74 1kgg h LYS 201 Ca -0.54 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.18 1kgg h LYS 201 Cb 1.33 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.81 1kgg h LYS 201 CO 0.59 0.37 0.14 0.93 -3.45 0.00 0.00 179.45 178.02 1kgg h GLU 202 N 0.57 0.85 -0.49 1.90 3.07 -1.98 0.64 114.58 119.13 1kgg h GLU 202 Ca 0.21 -0.20 -0.10 0.00 -0.50 0.00 0.00 59.36 58.78 1kgg h GLU 202 Cb 0.07 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1kgg h GLU 202 CO -0.12 0.80 -0.08 -0.91 -1.40 0.00 0.00 179.01 177.31 1kgg h ASN 203 N 0.75 0.91 -0.61 1.42 2.35 -1.90 0.21 115.58 118.71 1kgg h ASN 203 Ca 0.17 -0.34 -0.08 0.00 -0.55 0.00 0.00 56.30 55.50 1kgg h ASN 203 Cb 0.33 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1kgg h ASN 203 CO 0.00 1.04 0.08 0.50 -1.65 0.00 0.00 177.43 177.40 1kgg h LYS 204 N 0.77 1.03 -0.59 0.81 3.64 -1.11 -0.03 116.57 121.09 1kgg h LYS 204 Ca 0.13 -0.29 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 1kgg h LYS 204 Cb 0.62 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1kgg h LYS 204 CO 0.04 0.97 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.97 1kgg h LYS 205 N 0.93 1.03 0.31 1.90 3.11 -0.72 -1.50 116.57 121.63 1kgg h LYS 205 Ca 0.18 -0.32 -0.01 0.00 -2.81 0.00 0.00 60.65 57.70 1kgg h LYS 205 Cb 0.46 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.58 1kgg h LYS 205 CO 0.02 1.01 -0.22 0.35 -2.81 0.00 0.00 179.45 177.80 1kgg h PHE 206 N 0.94 -0.57 0.25 1.91 3.57 -0.48 -0.82 116.94 121.75 1kgg h PHE 206 Ca 0.17 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1kgg h PHE 206 Cb 0.55 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1kgg h PHE 206 CO 0.04 -0.33 -0.12 1.25 -2.23 0.00 0.00 178.31 176.92 1kgg h LEU 207 N -0.52 -0.28 -0.93 0.59 5.85 -0.86 -3.01 115.31 116.14 1kgg h LEU 207 Ca -0.03 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1kgg h LEU 207 Cb 0.44 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 1kgg h LEU 207 CO 0.01 -0.11 0.60 -0.07 -0.34 0.00 0.00 178.44 178.52 1kgg h LEU 208 N -0.44 0.96 -1.59 2.25 3.38 -1.27 -0.87 115.31 117.72 1kgg h LEU 208 Ca -0.03 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1kgg h LEU 208 Cb 0.33 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1kgg h LEU 208 CO 0.06 0.62 0.37 0.44 0.09 0.00 0.00 178.44 180.02 1kgg h ASP 209 N 1.10 0.43 0.09 -0.43 5.19 -1.08 0.27 116.42 121.99 1kgg h ASP 209 Ca 0.40 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.67 1kgg h ASP 209 Cb 0.13 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1kgg h ASP 209 CO -0.16 0.28 -0.48 -0.07 -3.12 0.00 0.00 179.24 175.69 1kgg h LEU 210 N 0.49 0.49 -0.32 1.55 3.38 -1.05 -2.23 115.31 117.64 1kgg h LEU 210 Ca 0.24 -0.24 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1kgg h LEU 210 Cb 0.32 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1kgg h LEU 210 CO -0.07 0.89 -0.82 0.24 0.09 0.00 0.00 178.44 178.77 1kgg h MET 211 N 0.36 0.35 0.00 1.13 2.86 -0.31 -2.51 114.93 116.81 1kgg h MET 211 Ca 0.02 -0.33 -0.08 0.00 -2.06 0.00 0.00 59.70 57.25 1kgg h MET 211 Cb 0.98 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 1kgg h MET 211 CO 0.09 1.00 -0.40 -0.07 1.06 0.00 0.00 176.91 178.59 1kgg h LEU 212 N 0.22 0.00 -2.56 1.22 3.38 -0.42 -2.99 115.31 114.15 1kgg h LEU 212 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1kgg h LEU 212 Cb 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1kgg h LEU 212 CO 0.14 0.40 0.00 0.59 0.09 0.00 0.00 178.44 179.65 1kgg n ASN 213 N -4.05 3.42 -4.62 -0.43 3.02 -0.85 -4.92 115.26 106.82 1kgg n ASN 213 Ca -0.02 -1.96 -0.43 0.00 -0.03 0.00 0.00 54.58 52.14 1kgg n ASN 213 Cb 0.43 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 39.26 1kgg n ASN 213 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1kgg s ASN 214 N -1.15 6.31 0.34 6.41 2.47 -0.95 -4.88 114.94 123.49 1kgg s ASN 214 Ca 0.37 1.36 0.18 0.00 0.42 0.00 0.00 52.86 55.19 1kgg s ASN 214 Cb 0.20 -2.53 0.24 0.00 -1.45 0.00 0.00 41.25 37.71 1kgg s ASN 214 CO 0.27 -1.36 1.53 0.11 -3.72 0.00 0.00 177.10 173.94 1kgg h LYS 215 N 10.97 0.00 0.00 0.43 1.79 -1.91 -3.21 116.57 124.65 1kgg h LYS 215 Ca -0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1kgg h LYS 215 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1kgg h LYS 215 CO 1.03 0.36 0.00 0.77 -1.08 0.00 0.00 179.45 180.52 1kgg h SER 216 N 0.00 0.00 -0.08 0.86 0.02 -1.90 -1.46 113.55 110.99 1kgg h SER 216 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1kgg h SER 216 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1kgg h SER 216 CO 0.05 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 1kgg n GLY 217 N -0.93 0.69 0.31 -3.77 0.00 -1.21 -4.51 105.19 95.76 1kgg n GLY 217 Ca -0.02 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.55 1kgg n GLY 217 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1kgg h ASP 218 N 3.65 0.00 -0.36 1.61 5.19 -1.46 -1.94 116.42 123.10 1kgg h ASP 218 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1kgg h ASP 218 Cb 0.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1kgg h ASP 218 CO 0.00 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.47 1kgg n THR 219 N -4.27 0.48 0.00 0.35 -2.24 -1.26 -3.25 114.28 104.08 1kgg n THR 219 Ca 0.01 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1kgg n THR 219 Cb 0.25 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1kgg n THR 219 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1kgg n LEU 220 N 0.63 0.00 -0.30 3.22 4.77 -0.73 -4.43 117.00 120.16 1kgg n LEU 220 Ca 0.14 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.25 1kgg n LEU 220 Cb 0.34 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.73 1kgg n LEU 220 CO 0.10 0.00 0.98 0.40 -1.33 0.00 0.00 177.39 177.54 1kgg h ILE 221 N 0.00 0.39 -0.06 -0.08 2.04 -1.79 0.66 117.51 118.66 1kgg h ILE 221 Ca 0.00 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1kgg h ILE 221 Cb 0.00 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1kgg h ILE 221 CO 0.00 0.05 0.27 0.11 0.00 0.00 0.00 178.15 178.59 1kgg h LYS 222 N 0.28 0.00 0.00 2.37 1.57 -1.81 0.50 116.57 119.49 1kgg h LYS 222 Ca 0.55 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 59.17 1kgg h LYS 222 Cb 1.08 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 1kgg h LYS 222 CO -0.60 0.00 -1.35 0.22 -0.57 0.00 0.00 179.45 177.15 1kgg h ASP 223 N 0.00 0.00 0.42 0.86 3.58 0.35 -3.39 116.42 118.24 1kgg h ASP 223 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1kgg h ASP 223 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1kgg h ASP 223 CO -0.00 0.56 -0.74 0.61 -2.88 0.00 0.00 179.24 176.79 1kgg n GLY 224 N 1.38 -1.21 3.97 -0.78 0.00 0.17 -4.93 105.19 103.79 1kgg n GLY 224 Ca -0.09 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 1kgg n GLY 224 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kgg s VAL 225 N -3.07 4.81 1.31 1.61 -7.23 -1.04 -2.98 120.40 113.81 1kgg s VAL 225 Ca 0.08 -0.81 -0.20 0.00 -1.81 0.00 0.00 61.98 59.24 1kgg s VAL 225 Cb 0.16 -3.72 0.33 0.00 0.56 0.00 0.00 36.38 33.71 1kgg s VAL 225 CO 0.76 -0.34 1.00 -2.16 -0.31 0.00 0.00 175.10 174.04 1kgg s PRO 226 N -4.17 -2.03 0.32 4.82 0.04 -1.26 -4.95 135.00 127.78 1kgg s PRO 226 Ca 0.39 0.23 0.13 0.00 0.04 0.00 0.00 61.00 61.80 1kgg s PRO 226 Cb -0.09 -1.48 0.52 0.00 0.04 0.00 0.00 34.50 33.49 1kgg s PRO 226 CO 0.32 -4.30 1.69 -0.22 0.04 0.00 0.00 177.00 174.52 1kgg h LYS 227 N -3.01 0.00 0.00 4.56 1.63 -1.99 -3.08 116.57 114.68 1kgg h LYS 227 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 1kgg h LYS 227 Cb 1.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 1kgg h LYS 227 CO 0.36 0.51 0.00 -0.40 -3.45 0.00 0.00 179.45 176.46 1kgg n ASP 228 N -3.79 0.32 -4.85 4.20 5.75 -1.26 -4.82 116.55 112.11 1kgg n ASP 228 Ca -0.01 0.54 -0.33 0.00 -0.01 0.00 0.00 54.79 54.98 1kgg n ASP 228 Cb 0.54 -0.62 -0.06 0.00 -1.03 0.00 0.00 41.12 39.95 1kgg n ASP 228 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1kgg s TYR 229 N -3.06 3.44 -0.15 2.11 1.51 -1.17 -3.89 117.35 116.15 1kgg s TYR 229 Ca 0.11 1.19 -0.05 0.00 -1.01 0.00 0.00 57.07 57.32 1kgg s TYR 229 Cb 0.15 -2.50 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 1kgg s TYR 229 CO 0.51 0.17 0.03 0.21 -1.11 0.00 0.00 175.55 175.36 1kgg s LYS 230 N -2.74 3.60 -0.17 -0.62 2.47 -0.28 -4.92 119.74 117.08 1kgg s LYS 230 Ca 0.51 -0.39 0.01 0.00 -1.56 0.00 0.00 55.97 54.53 1kgg s LYS 230 Cb -0.12 -3.02 0.02 0.00 -1.46 0.00 0.00 37.83 33.25 1kgg s LYS 230 CO 0.19 0.41 -0.16 0.08 0.16 0.00 0.00 175.35 176.03 1kgg s VAL 231 N -0.06 1.76 -0.40 4.02 1.01 -1.26 0.03 120.40 125.51 1kgg s VAL 231 Ca 0.05 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 1kgg s VAL 231 Cb -0.12 -1.65 0.06 0.00 0.00 0.00 0.00 36.38 34.66 1kgg s VAL 231 CO 0.02 0.44 0.22 0.00 0.00 0.00 0.00 175.10 175.78 1kgg s ALA 232 N 1.40 3.25 0.28 5.51 0.00 0.85 -4.29 121.76 128.76 1kgg s ALA 232 Ca 0.04 -1.99 0.04 0.00 0.00 0.00 0.00 51.96 50.06 1kgg s ALA 232 Cb -0.13 -2.58 -0.06 0.00 0.00 0.00 0.00 23.12 20.35 1kgg s ALA 232 CO -0.11 -1.54 0.01 0.16 0.00 0.00 0.00 175.76 174.28 1kgg s ASP 233 N 1.87 2.25 -0.08 0.00 -4.77 -1.14 -0.50 116.67 114.29 1kgg s ASP 233 Ca 0.02 -1.27 -0.03 0.00 -3.30 0.00 0.00 52.55 47.96 1kgg s ASP 233 Cb -0.22 -0.07 0.05 0.00 -1.09 0.00 0.00 42.92 41.60 1kgg s ASP 233 CO 0.03 -0.51 0.16 -0.75 0.70 0.00 0.00 175.17 174.81 1kgg s LYS 234 N -3.84 0.05 0.29 2.11 2.47 -0.50 -4.62 119.74 115.69 1kgg s LYS 234 Ca 0.32 0.55 -0.02 0.00 -1.56 0.00 0.00 55.97 55.25 1kgg s LYS 234 Cb 0.06 -0.25 0.06 0.00 -1.46 0.00 0.00 37.83 36.25 1kgg s LYS 234 CO 0.12 -0.29 0.40 -1.13 0.16 0.00 0.00 175.35 174.62 1kgg n SER 235 N 5.18 0.32 -3.59 1.43 3.41 -1.26 -2.52 113.62 116.59 1kgg n SER 235 Ca -0.08 -1.32 -0.05 0.00 -0.26 0.00 0.00 58.87 57.17 1kgg n SER 235 Cb 0.50 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1kgg n SER 235 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1kgg s GLY 236 N -3.61 -0.29 -0.30 5.00 0.00 -1.13 -3.02 107.32 103.97 1kgg s GLY 236 Ca 0.25 1.64 -0.05 0.00 0.00 0.00 0.00 44.72 46.56 1kgg s GLY 236 CO 0.17 0.57 0.66 1.62 0.00 0.00 0.00 173.10 176.12 1kgg s GLN 237 N -2.35 0.53 1.10 2.90 0.74 -1.26 -2.12 119.66 119.20 1kgg s GLN 237 Ca 0.09 1.06 -0.16 0.00 0.05 0.00 0.00 55.36 56.40 1kgg s GLN 237 Cb -0.01 0.61 0.24 0.00 1.10 0.00 0.00 33.01 34.95 1kgg s GLN 237 CO -0.05 -0.46 1.12 0.00 -0.55 0.00 0.00 175.29 175.35 1kgg s ALA 238 N 2.86 0.92 -1.28 1.58 0.00 -0.27 -4.77 121.76 120.81 1kgg s ALA 238 Ca 0.11 -0.76 0.23 0.00 0.00 0.00 0.00 51.96 51.55 1kgg s ALA 238 Cb -0.14 -2.96 0.15 0.00 0.00 0.00 0.00 23.12 20.18 1kgg s ALA 238 CO -0.20 -3.17 1.17 1.51 0.00 0.00 0.00 175.76 175.07 1kgg n ILE 239 N -4.43 0.00 -4.39 0.00 0.13 0.25 -4.59 119.36 106.34 1kgg n ILE 239 Ca 0.10 -0.06 -0.25 0.00 -1.10 0.00 0.00 62.75 61.44 1kgg n ILE 239 Cb 0.59 0.75 -0.11 0.00 -0.84 0.00 0.00 39.64 40.02 1kgg n ILE 239 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 1kgg s THR 240 N -2.85 2.14 -1.44 9.51 -4.23 -1.26 -4.82 115.64 112.70 1kgg s THR 240 Ca 0.13 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.55 1kgg s THR 240 Cb 0.17 -2.01 0.05 0.00 1.34 0.00 0.00 72.50 72.05 1kgg s THR 240 CO 0.72 -0.21 0.96 -1.22 -0.54 0.00 0.00 174.62 174.34 1kgg n TYR 241 N 0.25 -2.32 -3.41 3.99 4.02 0.30 -2.55 117.16 117.45 1kgg n TYR 241 Ca -0.13 0.91 -0.22 0.00 -0.01 0.00 0.00 57.90 58.46 1kgg n TYR 241 Cb 0.56 -4.32 -0.04 0.00 -0.02 0.00 0.00 39.34 35.53 1kgg n TYR 241 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1kgg n ALA 242 N -4.63 -1.02 -1.77 -0.72 0.00 -0.95 -0.05 120.51 111.37 1kgg n ALA 242 Ca -0.06 -0.11 -0.29 0.00 0.00 0.00 0.00 53.44 52.99 1kgg n ALA 242 Cb 0.57 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 1kgg n ALA 242 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1kgg s SER 243 N -2.51 4.63 -0.08 0.00 0.01 -1.06 -4.24 113.70 110.47 1kgg s SER 243 Ca 0.42 0.29 0.05 0.00 1.31 0.00 0.00 55.95 58.02 1kgg s SER 243 Cb -0.25 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.44 1kgg s SER 243 CO 0.52 -2.99 -0.23 -0.60 0.41 0.00 0.00 173.24 170.35 1kgg s ARG 244 N 7.89 2.76 0.11 12.44 6.06 -0.77 -1.11 118.95 146.33 1kgg s ARG 244 Ca 0.83 -0.86 -0.01 0.00 -2.50 0.00 0.00 55.73 53.20 1kgg s ARG 244 Cb -0.13 -2.26 -0.04 0.00 0.06 0.00 0.00 34.95 32.58 1kgg s ARG 244 CO 0.15 0.33 0.04 -0.80 -2.50 0.00 0.00 175.30 172.52 1kgg s ASN 245 N -0.03 0.37 -0.22 -2.12 0.01 -0.90 -0.93 114.94 111.12 1kgg s ASN 245 Ca -0.07 -1.16 -0.18 0.00 -0.71 0.00 0.00 52.86 50.73 1kgg s ASN 245 Cb -0.15 0.27 0.06 0.00 0.41 0.00 0.00 41.25 41.84 1kgg s ASN 245 CO 0.05 -0.70 0.57 -0.62 -1.51 0.00 0.00 177.10 174.90 1kgg s ASP 246 N -3.02 -0.64 0.00 -1.22 2.15 -0.75 -2.82 116.67 110.38 1kgg s ASP 246 Ca 0.20 1.18 0.02 0.00 0.43 0.00 0.00 52.55 54.39 1kgg s ASP 246 Cb 0.08 1.16 -0.01 0.00 -0.30 0.00 0.00 42.92 43.85 1kgg s ASP 246 CO -0.01 -0.21 -0.08 0.68 -0.17 0.00 0.00 175.17 175.39 1kgg s VAL 247 N 0.61 0.62 0.27 1.11 -7.23 -1.05 -0.65 120.40 114.09 1kgg s VAL 247 Ca -0.02 -0.46 -0.15 0.00 -1.81 0.00 0.00 61.98 59.54 1kgg s VAL 247 Cb -0.05 -0.54 0.01 0.00 0.56 0.00 0.00 36.38 36.36 1kgg s VAL 247 CO -0.04 0.09 0.58 0.00 -0.31 0.00 0.00 175.10 175.42 1kgg s ALA 248 N -0.37 -0.55 -0.30 1.32 0.00 0.12 -1.42 121.76 120.57 1kgg s ALA 248 Ca 0.01 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1kgg s ALA 248 Cb -0.04 0.98 0.08 0.00 0.00 0.00 0.00 23.12 24.14 1kgg s ALA 248 CO -0.00 -0.92 0.01 -0.06 0.00 0.00 0.00 175.76 174.79 1kgg s PHE 249 N -3.84 3.09 -0.19 0.00 0.08 0.35 -1.14 117.98 116.32 1kgg s PHE 249 Ca 0.19 -2.44 -0.11 0.00 0.12 0.00 0.00 56.93 54.68 1kgg s PHE 249 Cb -0.03 -2.29 -0.05 0.00 -0.57 0.00 0.00 43.02 40.08 1kgg s PHE 249 CO 0.09 -0.89 0.18 0.08 -0.10 0.00 0.00 175.22 174.58 1kgg s VAL 250 N 1.15 5.38 -0.33 -0.44 1.01 -0.31 -0.10 120.40 126.75 1kgg s VAL 250 Ca 0.04 0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.27 1kgg s VAL 250 Cb -0.19 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1kgg s VAL 250 CO -0.10 0.42 0.09 -0.31 0.00 0.00 0.00 175.10 175.20 1kgg s TYR 251 N 0.41 3.26 0.31 5.22 2.02 0.11 0.07 117.35 128.75 1kgg s TYR 251 Ca 0.11 -1.51 -0.30 0.00 -0.37 0.00 0.00 57.07 55.00 1kgg s TYR 251 Cb -0.12 -2.26 -0.12 0.00 -0.40 0.00 0.00 41.96 39.07 1kgg s TYR 251 CO -0.00 -0.75 1.56 -2.30 -1.57 0.00 0.00 175.55 172.50 1kgg n PRO 252 N 4.78 2.67 -1.49 -1.71 -0.02 -1.26 -1.12 135.00 136.84 1kgg n PRO 252 Ca -0.12 0.95 -0.46 0.00 -2.02 0.00 0.00 63.50 61.84 1kgg n PRO 252 Cb 0.44 -2.71 -0.06 0.00 -0.02 0.00 0.00 33.50 31.15 1kgg n PRO 252 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1kgg n LYS 253 N 1.78 1.12 -0.35 -0.52 3.00 -1.25 -0.88 118.16 121.06 1kgg n LYS 253 Ca 0.07 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 1kgg n LYS 253 Cb 0.37 -2.67 0.00 0.00 0.00 0.00 0.00 35.03 32.73 1kgg n LYS 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1kgg n GLY 254 N 6.33 1.70 3.19 3.14 0.00 -1.26 -5.05 105.19 113.24 1kgg n GLY 254 Ca 0.41 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 1kgg n GLY 254 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1kgg s GLN 255 N -1.51 0.62 -0.20 1.61 0.74 -0.06 -5.05 119.66 115.81 1kgg s GLN 255 Ca 0.00 -0.31 0.14 0.00 0.05 0.00 0.00 55.36 55.25 1kgg s GLN 255 Cb 0.00 0.27 -0.23 0.00 1.10 0.00 0.00 33.01 34.14 1kgg s GLN 255 CO 0.00 -0.17 0.06 -1.13 -0.55 0.00 0.00 175.29 173.50 1kgg n SER 256 N 1.25 0.44 -4.75 6.67 3.41 -1.26 -4.52 113.62 114.87 1kgg n SER 256 Ca -0.22 0.01 -0.40 0.00 -0.26 0.00 0.00 58.87 58.00 1kgg n SER 256 Cb 0.56 0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 65.11 1kgg n SER 256 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1kgg s GLU 257 N -2.50 4.78 0.39 4.33 8.01 -1.26 -5.03 118.70 127.41 1kgg s GLU 257 Ca -0.14 1.58 -0.01 0.00 0.01 0.00 0.00 54.97 56.41 1kgg s GLU 257 Cb 0.07 -3.26 -0.03 0.00 -4.31 0.00 0.00 34.13 26.60 1kgg s GLU 257 CO 0.79 0.41 0.61 -1.25 0.01 0.00 0.00 175.26 175.82 1kgg s PRO 258 N -1.17 3.44 -0.21 0.39 0.04 -1.26 -4.51 135.00 131.72 1kgg s PRO 258 Ca 0.42 -0.26 -0.11 0.00 0.04 0.00 0.00 61.00 61.10 1kgg s PRO 258 Cb -0.28 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.62 1kgg s PRO 258 CO 0.34 0.03 0.18 0.42 0.04 0.00 0.00 177.00 178.01 1kgg s ILE 259 N -2.43 5.37 -0.29 0.56 1.01 0.11 -2.46 121.20 123.08 1kgg s ILE 259 Ca 0.42 0.26 -0.21 0.00 0.00 0.00 0.00 60.65 61.13 1kgg s ILE 259 Cb -0.10 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 1kgg s ILE 259 CO 0.38 0.39 0.67 -0.69 0.00 0.00 0.00 174.94 175.69 1kgg s VAL 260 N 0.68 4.92 -0.18 2.92 1.01 0.20 -1.16 120.40 128.77 1kgg s VAL 260 Ca 0.10 1.05 0.01 0.00 0.00 0.00 0.00 61.98 63.14 1kgg s VAL 260 Cb -0.12 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.26 1kgg s VAL 260 CO 0.02 -0.11 -0.18 -0.22 0.00 0.00 0.00 175.10 174.61 1kgg s LEU 261 N 2.66 2.19 -0.20 3.92 2.96 -0.29 -1.10 118.68 128.82 1kgg s LEU 261 Ca 0.27 -0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1kgg s LEU 261 Cb -0.15 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.10 1kgg s LEU 261 CO 0.11 -0.03 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.30 1kgg s VAL 262 N 1.30 2.74 -0.22 1.68 1.01 -0.47 0.13 120.40 126.58 1kgg s VAL 262 Ca 0.04 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1kgg s VAL 262 Cb -0.14 -2.20 0.05 0.00 0.00 0.00 0.00 36.38 34.09 1kgg s VAL 262 CO -0.12 0.48 -0.08 -0.63 0.00 0.00 0.00 175.10 174.76 1kgg s ILE 263 N 1.32 1.59 -0.12 2.22 1.01 0.18 -2.01 121.20 125.39 1kgg s ILE 263 Ca 0.04 -1.11 -0.02 0.00 0.00 0.00 0.00 60.65 59.57 1kgg s ILE 263 Cb -0.14 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 1kgg s ILE 263 CO -0.07 0.04 -0.05 -0.36 0.00 0.00 0.00 174.94 174.50 1kgg s PHE 264 N 1.40 3.00 0.13 3.97 0.08 0.10 -1.80 117.98 124.86 1kgg s PHE 264 Ca -0.04 -0.14 0.01 0.00 0.12 0.00 0.00 56.93 56.88 1kgg s PHE 264 Cb -0.17 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 1kgg s PHE 264 CO -0.07 0.14 0.00 0.95 -0.10 0.00 0.00 175.22 176.15 1kgg s THR 265 N -0.19 0.45 -0.08 0.64 -4.23 -0.10 -0.94 115.64 111.19 1kgg s THR 265 Ca 0.03 -1.93 -0.32 0.00 -1.18 0.00 0.00 61.69 58.29 1kgg s THR 265 Cb -0.13 -1.96 0.12 0.00 1.34 0.00 0.00 72.50 71.88 1kgg s THR 265 CO 0.02 -0.59 1.20 0.54 -0.54 0.00 0.00 174.62 175.25 1kgg s ASN 266 N -3.09 -0.12 0.55 3.99 2.20 -1.00 -1.84 114.94 115.64 1kgg s ASN 266 Ca 0.20 -0.08 0.04 0.00 -0.94 0.00 0.00 52.86 52.08 1kgg s ASN 266 Cb 0.07 0.19 0.04 0.00 -2.00 0.00 0.00 41.25 39.54 1kgg s ASN 266 CO 0.00 -0.33 0.33 -0.54 -2.94 0.00 0.00 177.10 173.62 1kgg s LYS 267 N -2.53 2.23 0.15 3.55 1.02 0.93 -0.62 119.74 124.48 1kgg s LYS 267 Ca 0.11 -2.15 0.12 0.00 0.02 0.00 0.00 55.97 54.07 1kgg s LYS 267 Cb 0.01 -1.96 -0.10 0.00 -0.52 0.00 0.00 37.83 35.27 1kgg s LYS 267 CO -0.04 -0.62 1.20 -0.44 -0.92 0.00 0.00 175.35 174.52 1kgg h ASP 268 N 0.82 0.00 -3.04 2.83 3.32 -1.83 -3.45 116.42 115.06 1kgg h ASP 268 Ca -0.38 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.03 1kgg h ASP 268 Cb 1.31 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.75 1kgg h ASP 268 CO 0.60 0.74 -0.52 0.20 -1.72 0.00 0.00 179.24 178.54 1kgg s ASN 269 N -6.39 6.02 0.28 6.45 -0.87 -1.26 -4.96 114.94 114.21 1kgg s ASN 269 Ca 0.01 0.27 0.02 0.00 -1.57 0.00 0.00 52.86 51.59 1kgg s ASN 269 Cb 0.09 -1.98 0.58 0.00 -0.02 0.00 0.00 41.25 39.93 1kgg s ASN 269 CO 0.79 0.29 1.82 0.50 -2.57 0.00 0.00 177.10 177.93 1kgg h LYS 270 N 5.85 0.89 -0.32 -0.60 3.64 -1.92 0.11 116.57 124.23 1kgg h LYS 270 Ca -0.47 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1kgg h LYS 270 Cb 1.19 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1kgg h LYS 270 CO 0.65 0.59 0.00 -1.13 -2.27 0.00 0.00 179.45 177.29 1kgg n SER 271 N -4.67 1.70 -4.74 4.20 3.41 -1.26 -0.54 113.62 111.72 1kgg n SER 271 Ca 0.20 -2.00 -0.41 0.00 -0.26 0.00 0.00 58.87 56.39 1kgg n SER 271 Cb 0.40 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1kgg n SER 271 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1kgg s ASP 272 N -1.00 6.77 0.17 4.04 1.01 0.39 -4.92 116.67 123.12 1kgg s ASP 272 Ca 0.21 2.54 -0.14 0.00 0.71 0.00 0.00 52.55 55.87 1kgg s ASP 272 Cb 0.11 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.35 1kgg s ASP 272 CO 0.14 -0.62 0.57 -1.59 0.21 0.00 0.00 175.17 173.88 1kgg s LYS 273 N -0.23 3.98 0.50 8.23 -2.85 -1.26 -2.23 119.74 125.87 1kgg s LYS 273 Ca 0.58 0.50 0.07 0.00 -1.00 0.00 0.00 55.97 56.12 1kgg s LYS 273 Cb -0.39 -2.87 0.04 0.00 -2.06 0.00 0.00 37.83 32.55 1kgg s LYS 273 CO 0.41 0.44 0.68 -1.25 0.10 0.00 0.00 175.35 175.73 1kgg s PRO 274 N -2.11 2.58 -0.12 1.78 0.04 -1.26 -4.82 135.00 131.08 1kgg s PRO 274 Ca 0.40 -1.30 0.01 0.00 0.04 0.00 0.00 61.00 60.15 1kgg s PRO 274 Cb -0.14 -2.67 0.02 0.00 0.04 0.00 0.00 34.50 31.74 1kgg s PRO 274 CO 0.19 -0.56 -0.14 1.21 0.04 0.00 0.00 177.00 177.74 1kgg s ASN 275 N -4.47 2.51 0.47 6.66 3.84 -1.26 -5.01 114.94 117.68 1kgg s ASN 275 Ca 0.58 -0.44 0.26 0.00 0.21 0.00 0.00 52.86 53.47 1kgg s ASN 275 Cb -0.09 -1.11 1.06 0.00 -0.55 0.00 0.00 41.25 40.57 1kgg s ASN 275 CO 0.36 -0.02 1.88 0.44 -2.79 0.00 0.00 177.10 176.98 1kgg h ASP 276 N 7.67 0.00 0.08 -4.21 5.19 -1.99 -2.69 116.42 120.48 1kgg h ASP 276 Ca -0.34 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.07 1kgg h ASP 276 Cb 1.16 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.67 1kgg h ASP 276 CO 0.50 0.17 -0.03 0.50 -3.12 0.00 0.00 179.24 177.26 1kgg h LYS 277 N 0.00 0.00 -0.40 3.56 3.11 -1.95 -0.54 116.57 120.35 1kgg h LYS 277 Ca -0.00 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 1kgg h LYS 277 Cb 0.66 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.87 1kgg h LYS 277 CO 0.02 0.03 -0.01 1.25 -2.81 0.00 0.00 179.45 177.93 1kgg h LEU 278 N 0.00 0.61 0.21 5.20 5.85 -1.85 -0.61 115.31 124.72 1kgg h LEU 278 Ca -0.00 -0.13 -0.33 0.00 0.84 0.00 0.00 57.88 58.26 1kgg h LEU 278 Cb 0.08 -0.16 0.02 0.00 0.37 0.00 0.00 40.66 40.97 1kgg h LEU 278 CO 0.00 0.68 -1.51 0.40 -0.34 0.00 0.00 178.44 177.68 1kgg h ILE 279 N 0.61 1.23 -0.28 4.05 5.03 -1.31 -2.39 117.51 124.44 1kgg h ILE 279 Ca 0.12 -2.72 0.06 0.00 -0.12 0.00 0.00 64.86 62.20 1kgg h ILE 279 Cb 0.40 2.95 -0.06 0.00 -3.03 0.00 0.00 36.82 37.08 1kgg h ILE 279 CO 0.02 0.83 -0.08 -1.28 -0.68 0.00 0.00 178.15 176.96 1kgg h SER 280 N 0.12 -0.28 -0.38 1.72 0.87 -1.12 -1.07 113.55 113.41 1kgg h SER 280 Ca -0.26 0.09 -0.13 0.00 -1.23 0.00 0.00 61.79 60.26 1kgg h SER 280 Cb 2.12 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 64.25 1kgg h SER 280 CO 0.24 -0.10 -0.27 -0.33 -0.53 0.00 0.00 176.83 175.83 1kgg h GLU 281 N -0.01 0.90 -0.60 2.24 5.08 -1.20 -2.65 114.58 118.35 1kgg h GLU 281 Ca 0.14 -0.40 0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1kgg h GLU 281 Cb 0.22 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1kgg h GLU 281 CO -0.30 1.06 0.35 1.15 -1.00 0.00 0.00 179.01 180.27 1kgg h THR 282 N 0.77 1.04 -0.75 1.13 2.02 -1.08 -1.79 112.91 114.25 1kgg h THR 282 Ca 0.09 -0.24 0.06 0.00 0.77 0.00 0.00 66.41 67.10 1kgg h THR 282 Cb 0.83 0.29 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 1kgg h THR 282 CO 0.07 0.13 0.44 0.00 0.37 0.00 0.00 175.52 176.52 1kgg h ALA 283 N 1.28 1.02 -0.68 6.16 0.00 -0.97 -0.63 119.26 125.44 1kgg h ALA 283 Ca 0.25 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1kgg h ALA 283 Cb 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1kgg h ALA 283 CO -0.12 0.13 0.43 -0.22 0.00 0.00 0.00 179.25 179.47 1kgg h LYS 284 N 0.79 0.83 0.58 0.00 3.64 -1.02 -0.64 116.57 120.75 1kgg h LYS 284 Ca 0.34 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1kgg h LYS 284 Cb 0.20 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1kgg h LYS 284 CO -0.19 0.55 -0.28 0.77 -2.27 0.00 0.00 179.45 178.03 1kgg h SER 285 N 0.86 -0.66 -0.32 4.20 0.02 -0.39 -3.04 113.55 114.21 1kgg h SER 285 Ca 0.26 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.25 1kgg h SER 285 Cb -0.02 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1kgg h SER 285 CO -0.09 -0.39 0.22 0.58 -1.14 0.00 0.00 176.83 176.01 1kgg h VAL 286 N -0.90 0.94 0.00 2.27 2.07 -1.04 -1.93 116.25 117.66 1kgg h VAL 286 Ca -0.08 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1kgg h VAL 286 Cb 0.64 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1kgg h VAL 286 CO 0.13 0.03 0.00 0.24 0.02 0.00 0.00 177.57 178.00 1kgg h MET 287 N 0.19 0.00 0.00 1.57 2.07 -1.00 -3.03 114.93 114.73 1kgg h MET 287 Ca 0.14 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.77 1kgg h MET 287 Cb 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.06 1kgg h MET 287 CO -0.02 0.00 0.00 1.63 1.07 0.00 0.00 176.91 179.59 1kgg n LYS 288 N -2.91 0.17 0.04 1.72 5.02 -0.72 -2.16 118.16 119.32 1kgg n LYS 288 Ca 0.02 0.38 0.12 0.00 -2.02 0.00 0.00 58.31 56.81 1kgg n LYS 288 Cb 0.34 -1.82 0.27 0.00 -0.02 0.00 0.00 35.03 33.80 1kgg n LYS 288 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1kgg n GLU 289 N -2.14 0.16 0.00 1.97 -0.58 -1.14 -5.16 120.64 113.75 1kgg n GLU 289 Ca 0.03 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1kgg n GLU 289 Cb 0.24 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1kgg n GLU 289 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84