#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kk9 n LYS 8 N 0.00 -1.75 -0.22 -0.78 5.02 -1.26 -4.79 118.16 114.38 3kk9 n LYS 8 Ca 0.00 0.39 0.20 0.00 -2.02 0.00 0.00 58.31 56.89 3kk9 n LYS 8 Cb 0.00 -4.06 0.37 0.00 -0.02 0.00 0.00 35.03 31.33 3kk9 n LYS 8 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3kk9 n PHE 9 N -4.36 0.75 0.19 2.13 7.35 -1.26 0.18 117.46 122.45 3kk9 n PHE 9 Ca -0.16 0.80 0.17 0.00 -0.76 0.00 0.00 57.45 57.50 3kk9 n PHE 9 Cb 0.62 -1.20 0.82 0.00 0.35 0.00 0.00 39.48 40.07 3kk9 n PHE 9 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 3kk9 h SER 10 N 0.00 0.00 1.11 -2.13 0.02 -1.87 0.32 113.55 111.00 3kk9 h SER 10 Ca 0.55 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.34 3kk9 h SER 10 Cb 1.44 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.96 3kk9 h SER 10 CO -0.53 0.00 -0.80 0.44 -1.14 0.00 0.00 176.83 174.79 3kk9 h ASP 11 N 0.00 0.00 -0.00 3.07 5.19 0.16 -3.33 116.42 121.50 3kk9 h ASP 11 Ca 0.10 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3kk9 h ASP 11 Cb 0.55 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.06 3kk9 h ASP 11 CO -0.00 0.80 -0.22 0.59 -3.12 0.00 0.00 179.24 177.30 3kk9 n ASN 12 N -3.36 0.80 -3.89 6.45 3.02 -0.57 -4.84 115.26 112.88 3kk9 n ASN 12 Ca 0.00 -0.90 -0.27 0.00 -0.03 0.00 0.00 54.58 53.39 3kk9 n ASN 12 Cb 0.84 0.65 -0.17 0.00 -0.61 0.00 0.00 39.78 40.49 3kk9 n ASN 12 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kk9 s TYR 13 N -1.31 1.40 -0.18 3.10 1.51 0.10 -1.10 117.35 120.88 3kk9 s TYR 13 Ca 0.05 -0.71 -0.26 0.00 -1.01 0.00 0.00 57.07 55.14 3kk9 s TYR 13 Cb 0.06 -1.19 -0.01 0.00 -0.11 0.00 0.00 41.96 40.71 3kk9 s TYR 13 CO 0.22 -0.51 0.86 -0.51 -1.11 0.00 0.00 175.55 174.50 3kk9 s ASP 14 N 1.73 6.97 0.00 2.29 1.01 0.22 -4.50 116.67 124.39 3kk9 s ASP 14 Ca 0.04 1.19 -0.20 0.00 0.71 0.00 0.00 52.55 54.29 3kk9 s ASP 14 Cb -0.13 -2.46 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 3kk9 s ASP 14 CO -0.08 -0.44 0.59 -0.69 0.21 0.00 0.00 175.17 174.77 3kk9 s VAL 15 N 2.30 4.89 0.00 -1.27 1.01 -1.26 0.45 120.40 126.52 3kk9 s VAL 15 Ca 0.39 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.61 3kk9 s VAL 15 Cb -0.16 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3kk9 s VAL 15 CO 0.12 0.43 0.00 0.29 0.00 0.00 0.00 175.10 175.94 3kk9 n LYS 16 N 2.61 2.17 -2.01 2.72 4.76 0.37 -4.95 118.16 123.83 3kk9 n LYS 16 Ca -0.07 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.08 3kk9 n LYS 16 Cb 0.51 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.77 3kk9 n LYS 16 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3kk9 s GLU 17 N 4.72 2.29 -0.08 1.97 1.03 -1.25 -4.56 118.70 122.81 3kk9 s GLU 17 Ca 0.00 0.09 -0.25 0.00 0.03 0.00 0.00 54.97 54.84 3kk9 s GLU 17 Cb 0.00 -2.04 -0.03 0.00 -0.80 0.00 0.00 34.13 31.26 3kk9 s GLU 17 CO 0.00 -1.32 0.79 -2.00 -1.33 0.00 0.00 175.26 171.40 3kk9 s GLU 18 N -5.41 4.42 0.00 -4.83 2.12 -1.26 0.48 118.70 114.22 3kk9 s GLU 18 Ca 0.60 1.02 0.23 0.00 0.36 0.00 0.00 54.97 57.19 3kk9 s GLU 18 Cb -0.11 -3.49 0.11 0.00 0.26 0.00 0.00 34.13 30.90 3kk9 s GLU 18 CO 0.48 -0.07 1.15 1.28 -0.54 0.00 0.00 175.26 177.56 3kk9 n LEU 19 N 4.23 1.54 0.00 2.70 4.77 0.19 -4.89 117.00 125.53 3kk9 n LEU 19 Ca 0.02 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 3kk9 n LEU 19 Cb 0.51 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3kk9 n LEU 19 CO 0.48 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3kk9 n GLY 20 N 1.43 0.49 3.34 -0.72 0.00 -1.01 -4.96 105.19 103.76 3kk9 n GLY 20 Ca 0.08 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 3kk9 n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kk9 s LYS 21 N -1.49 1.05 0.00 1.61 -2.85 -1.26 -0.29 119.74 116.51 3kk9 s LYS 21 Ca 0.00 -0.52 0.00 0.00 -1.00 0.00 0.00 55.97 54.45 3kk9 s LYS 21 Cb 0.00 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 3kk9 s LYS 21 CO 0.00 -0.40 0.00 0.41 0.10 0.00 0.00 175.35 175.46 3kk9 n GLY 22 N 0.05 4.25 3.76 0.59 0.00 0.68 -4.97 105.19 109.54 3kk9 n GLY 22 Ca -0.17 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 3kk9 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kk9 n ALA 23 N -3.00 2.53 -2.28 4.61 0.00 -1.26 -2.47 120.51 118.63 3kk9 n ALA 23 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 53.44 53.79 3kk9 n ALA 23 Cb 0.00 -2.45 -0.00 0.00 0.00 0.00 0.00 19.45 16.99 3kk9 n ALA 23 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3kk9 n PHE 24 N 1.61 -1.82 -3.60 0.00 1.16 -1.26 -4.85 117.46 108.70 3kk9 n PHE 24 Ca 0.06 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.48 3kk9 n PHE 24 Cb 0.37 -1.11 -0.07 0.00 -1.61 0.00 0.00 39.48 37.06 3kk9 n PHE 24 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3kk9 s SER 25 N -1.87 -0.57 -0.01 5.98 1.04 -1.03 -1.68 113.70 115.55 3kk9 s SER 25 Ca 0.00 0.75 0.02 0.00 0.48 0.00 0.00 55.95 57.20 3kk9 s SER 25 Cb 0.00 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.82 3kk9 s SER 25 CO 0.00 -0.47 -0.05 0.54 0.98 0.00 0.00 173.24 174.24 3kk9 s VAL 26 N -0.80 0.44 -0.23 5.02 0.11 -0.69 -0.23 120.40 124.02 3kk9 s VAL 26 Ca -0.08 -0.20 -0.10 0.00 -2.93 0.00 0.00 61.98 58.67 3kk9 s VAL 26 Cb -0.02 -0.40 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 3kk9 s VAL 26 CO 0.06 0.14 0.14 -0.69 -3.33 0.00 0.00 175.10 171.43 3kk9 s VAL 27 N 0.12 5.23 0.13 2.04 1.01 0.61 -1.21 120.40 128.33 3kk9 s VAL 27 Ca -0.01 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.17 3kk9 s VAL 27 Cb -0.05 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3kk9 s VAL 27 CO -0.00 0.37 -0.16 -0.13 0.00 0.00 0.00 175.10 175.17 3kk9 s ARG 28 N 0.96 1.10 0.30 2.72 0.52 -0.94 0.55 118.95 124.17 3kk9 s ARG 28 Ca 0.07 -1.27 -0.28 0.00 -0.52 0.00 0.00 55.73 53.73 3kk9 s ARG 28 Cb -0.13 -1.10 -0.09 0.00 0.52 0.00 0.00 34.95 34.15 3kk9 s ARG 28 CO 0.04 0.22 1.05 0.50 0.02 0.00 0.00 175.30 177.13 3kk9 s ARG 29 N -2.56 4.56 0.01 3.54 3.52 0.18 -0.98 118.95 127.22 3kk9 s ARG 29 Ca 0.10 1.65 -0.13 0.00 -0.13 0.00 0.00 55.73 57.22 3kk9 s ARG 29 Cb -0.06 -3.03 0.02 0.00 -1.56 0.00 0.00 34.95 30.32 3kk9 s ARG 29 CO 0.04 0.19 0.28 0.00 -0.81 0.00 0.00 175.30 175.00 3kk9 s VAL 31 N -1.82 2.38 0.36 0.00 1.01 0.17 -0.79 120.40 121.72 3kk9 s VAL 31 Ca -0.10 -1.32 -0.24 0.00 0.00 0.00 0.00 61.98 60.31 3kk9 s VAL 31 Cb -0.04 -1.96 -0.10 0.00 0.00 0.00 0.00 36.38 34.28 3kk9 s VAL 31 CO 0.01 0.35 0.95 -2.28 0.00 0.00 0.00 175.10 174.13 3kk9 s HIS 32 N -0.85 3.54 -0.07 5.22 2.46 -0.04 0.68 115.29 126.23 3kk9 s HIS 32 Ca 0.13 1.72 -0.11 0.00 0.47 0.00 0.00 55.06 57.27 3kk9 s HIS 32 Cb -0.10 -2.90 -0.07 0.00 -0.13 0.00 0.00 32.58 29.37 3kk9 s HIS 32 CO 0.03 0.07 0.43 0.87 -2.47 0.00 0.00 174.74 173.67 3kk9 h LYS 33 N 2.70 -0.23 -0.17 2.88 1.57 -1.44 -1.95 116.57 119.93 3kk9 h LYS 33 Ca -0.48 0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.11 3kk9 h LYS 33 Cb 1.19 0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.56 3kk9 h LYS 33 CO 0.63 -0.03 -0.72 1.79 -0.57 0.00 0.00 179.45 180.55 3kk9 h THR 34 N -1.03 1.29 0.00 -0.16 1.35 -1.93 -3.34 112.91 109.09 3kk9 h THR 34 Ca -0.02 -1.95 -0.19 0.00 -0.55 0.00 0.00 66.41 63.70 3kk9 h THR 34 Cb 0.31 1.93 -0.03 0.00 -1.73 0.00 0.00 68.15 68.63 3kk9 h THR 34 CO 0.04 0.62 -1.07 0.71 -0.25 0.00 0.00 175.52 175.56 3kk9 h THR 35 N 0.52 0.91 0.00 6.82 1.35 -1.96 -3.49 112.91 117.06 3kk9 h THR 35 Ca -0.04 -2.09 0.00 0.00 -0.55 0.00 0.00 66.41 63.74 3kk9 h THR 35 Cb 1.34 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 3kk9 h THR 35 CO 0.15 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 3kk9 n GLY 36 N 1.47 1.07 3.73 5.82 0.00 -0.73 -5.04 105.19 111.50 3kk9 n GLY 36 Ca -0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 3kk9 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kk9 s LEU 37 N 0.00 2.81 -0.11 0.99 1.43 -1.26 -4.60 118.68 117.94 3kk9 s LEU 37 Ca 0.00 1.88 0.01 0.00 -1.03 0.00 0.00 54.13 54.98 3kk9 s LEU 37 Cb 0.00 -4.42 -0.02 0.00 0.03 0.00 0.00 46.19 41.78 3kk9 s LEU 37 CO 0.00 -2.49 -0.12 -1.61 0.23 0.00 0.00 176.35 172.35 3kk9 s GLU 38 N -4.82 3.13 -0.01 1.70 2.02 -1.26 -0.87 118.70 118.60 3kk9 s GLU 38 Ca 0.63 -0.67 -0.05 0.00 0.02 0.00 0.00 54.97 54.90 3kk9 s GLU 38 Cb -0.19 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.46 3kk9 s GLU 38 CO 0.57 0.35 0.10 -0.06 0.02 0.00 0.00 175.26 176.25 3kk9 s PHE 39 N -0.01 0.03 -0.34 1.61 0.08 0.03 -4.06 117.98 115.33 3kk9 s PHE 39 Ca -0.03 -0.08 -0.21 0.00 0.12 0.00 0.00 56.93 56.73 3kk9 s PHE 39 Cb -0.14 -0.05 0.00 0.00 -0.57 0.00 0.00 43.02 42.26 3kk9 s PHE 39 CO 0.04 -0.21 0.68 0.00 -0.10 0.00 0.00 175.22 175.63 3kk9 s ALA 40 N -1.01 3.48 -0.32 5.36 0.00 0.11 -0.70 121.76 128.68 3kk9 s ALA 40 Ca -0.11 -0.69 -0.06 0.00 0.00 0.00 0.00 51.96 51.10 3kk9 s ALA 40 Cb -0.06 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.88 3kk9 s ALA 40 CO 0.01 -1.27 0.08 0.00 0.00 0.00 0.00 175.76 174.58 3kk9 s ALA 41 N 2.79 3.02 -0.46 0.00 0.00 -0.15 -0.65 121.76 126.31 3kk9 s ALA 41 Ca 0.27 -1.67 -0.28 0.00 0.00 0.00 0.00 51.96 50.28 3kk9 s ALA 41 Cb -0.14 -2.20 0.03 0.00 0.00 0.00 0.00 23.12 20.81 3kk9 s ALA 41 CO 0.14 -1.22 1.08 0.21 0.00 0.00 0.00 175.76 175.97 3kk9 s LYS 42 N 1.41 3.71 -0.21 0.00 2.20 -0.75 -2.20 119.74 123.89 3kk9 s LYS 42 Ca -0.01 0.51 -0.08 0.00 -0.36 0.00 0.00 55.97 56.03 3kk9 s LYS 42 Cb -0.19 -3.90 -0.04 0.00 -1.51 0.00 0.00 37.83 32.19 3kk9 s LYS 42 CO 0.02 -1.30 0.09 0.42 -0.36 0.00 0.00 175.35 174.23 3kk9 s ILE 43 N 4.22 4.88 0.08 5.43 1.01 -0.35 -1.25 121.20 135.22 3kk9 s ILE 43 Ca 0.45 0.01 0.08 0.00 0.00 0.00 0.00 60.65 61.18 3kk9 s ILE 43 Cb -0.08 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 3kk9 s ILE 43 CO 0.29 0.40 -0.20 -0.63 0.00 0.00 0.00 174.94 174.80 3kk9 s ILE 44 N 0.83 1.65 -0.76 2.92 1.01 -0.65 -1.71 121.20 124.49 3kk9 s ILE 44 Ca 0.05 -1.42 -0.26 0.00 0.00 0.00 0.00 60.65 59.02 3kk9 s ILE 44 Cb -0.13 -1.48 0.04 0.00 0.01 0.00 0.00 42.46 40.90 3kk9 s ILE 44 CO 0.02 0.00 1.24 0.21 0.00 0.00 0.00 174.94 176.41 3kk9 s ASN 45 N -1.68 6.21 0.34 3.58 3.84 -0.68 -0.75 114.94 125.81 3kk9 s ASN 45 Ca 0.06 -0.70 0.05 0.00 0.21 0.00 0.00 52.86 52.47 3kk9 s ASN 45 Cb -0.10 -2.53 0.63 0.00 -0.55 0.00 0.00 41.25 38.70 3kk9 s ASN 45 CO 0.03 -1.71 1.89 0.74 -2.79 0.00 0.00 177.10 175.26 3kk9 h THR 46 N 6.10 1.19 -0.36 -5.21 2.02 -1.32 -2.57 112.91 112.76 3kk9 h THR 46 Ca -0.22 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.16 3kk9 h THR 46 Cb 1.05 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 3kk9 h THR 46 CO 1.27 0.26 -0.01 0.11 0.37 0.00 0.00 175.52 177.52 3kk9 h LYS 47 N 0.49 0.57 -0.61 6.66 1.79 -1.88 -2.98 116.57 120.61 3kk9 h LYS 47 Ca 0.11 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3kk9 h LYS 47 Cb 0.31 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3kk9 h LYS 47 CO 0.01 0.60 0.00 1.63 -1.08 0.00 0.00 179.45 180.61 3kk9 n LYS 48 N -4.26 4.60 -3.23 3.15 5.02 -0.98 -4.95 118.16 117.51 3kk9 n LYS 48 Ca 0.02 -3.01 -0.35 0.00 -2.02 0.00 0.00 58.31 52.94 3kk9 n LYS 48 Cb 0.26 -2.19 -0.06 0.00 -0.02 0.00 0.00 35.03 33.03 3kk9 n LYS 48 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kk9 s LEU 49 N -2.52 4.29 0.29 -0.35 1.43 -1.13 -5.02 118.68 115.68 3kk9 s LEU 49 Ca 0.52 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 3kk9 s LEU 49 Cb 0.39 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 3kk9 s LEU 49 CO 0.17 0.01 0.48 -0.94 0.23 0.00 0.00 176.35 176.31 3kk9 s SER 50 N -1.82 6.33 0.25 2.29 1.04 -1.26 -4.92 113.70 115.61 3kk9 s SER 50 Ca 0.43 0.40 -0.04 0.00 0.48 0.00 0.00 55.95 57.22 3kk9 s SER 50 Cb -0.15 -2.01 0.44 0.00 0.10 0.00 0.00 66.02 64.41 3kk9 s SER 50 CO 0.20 -0.19 1.77 0.00 0.98 0.00 0.00 173.24 175.99 3kk9 h ALA 51 N 1.18 1.14 -0.17 5.32 0.00 -1.98 0.33 119.26 125.07 3kk9 h ALA 51 Ca -0.50 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 3kk9 h ALA 51 Cb 1.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3kk9 h ALA 51 CO 0.63 -0.07 -0.52 -0.09 0.00 0.00 0.00 179.25 179.20 3kk9 h ARG 52 N 0.61 0.50 -0.50 0.00 2.43 -1.99 -0.62 114.38 114.80 3kk9 h ARG 52 Ca 0.41 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3kk9 h ARG 52 Cb 0.52 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3kk9 h ARG 52 CO -0.32 0.90 0.13 -0.44 -1.51 0.00 0.00 179.97 178.72 3kk9 h ASP 53 N 0.39 0.76 0.02 -3.80 3.32 -1.51 -2.09 116.42 113.50 3kk9 h ASP 53 Ca 0.01 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 3kk9 h ASP 53 Cb 1.04 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.39 3kk9 h ASP 53 CO 0.10 0.79 -0.01 0.15 -1.72 0.00 0.00 179.24 178.55 3kk9 h PHE 54 N 0.69 -0.02 -0.57 4.55 3.57 -0.21 -0.93 116.94 124.03 3kk9 h PHE 54 Ca 0.16 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.77 3kk9 h PHE 54 Cb 0.32 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 38.96 3kk9 h PHE 54 CO 0.02 0.21 -0.23 0.37 -2.23 0.00 0.00 178.31 176.45 3kk9 h GLN 55 N -0.25 -0.09 -0.19 1.11 4.15 -1.10 0.15 115.11 118.89 3kk9 h GLN 55 Ca -0.00 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.47 3kk9 h GLN 55 Cb 0.24 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.88 3kk9 h GLN 55 CO 0.00 -0.06 -0.47 0.87 -1.93 0.00 0.00 178.83 177.25 3kk9 h LYS 56 N -0.09 -0.47 -0.61 1.69 1.57 -1.20 0.14 116.57 117.60 3kk9 h LYS 56 Ca 0.26 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.19 3kk9 h LYS 56 Cb 0.50 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 32.80 3kk9 h LYS 56 CO -0.63 -0.31 -0.24 1.25 -0.57 0.00 0.00 179.45 178.95 3kk9 h LEU 57 N -0.49 -0.84 -1.90 2.94 5.85 0.50 0.80 115.31 122.17 3kk9 h LEU 57 Ca 0.07 0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 3kk9 h LEU 57 Cb 0.64 0.48 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 3kk9 h LEU 57 CO -0.45 -0.26 -0.10 -0.33 -0.34 0.00 0.00 178.44 176.96 3kk9 h GLU 58 N -0.08 0.00 0.11 1.25 5.08 -0.33 -1.43 114.58 119.18 3kk9 h GLU 58 Ca 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 3kk9 h GLU 58 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3kk9 h GLU 58 CO -0.67 0.10 -0.05 -0.09 -1.00 0.00 0.00 179.01 177.30 3kk9 h ARG 59 N 0.00 -0.14 -0.40 2.33 2.43 0.26 -2.84 114.38 116.02 3kk9 h ARG 59 Ca -0.00 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3kk9 h ARG 59 Cb 0.36 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.85 3kk9 h ARG 59 CO 0.01 -0.09 -0.30 1.49 -1.51 0.00 0.00 179.97 179.57 3kk9 h GLU 60 N -0.44 -0.22 0.00 0.20 4.81 -1.06 -2.15 114.58 115.71 3kk9 h GLU 60 Ca -0.01 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kk9 h GLU 60 Cb 0.11 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3kk9 h GLU 60 CO 0.02 -0.15 0.00 0.00 -0.73 0.00 0.00 179.01 178.16 3kk9 n ALA 61 N -2.99 0.00 -0.25 2.92 0.00 -0.54 -1.25 120.51 118.41 3kk9 n ALA 61 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.47 3kk9 n ALA 61 Cb 0.33 0.46 0.15 0.00 0.00 0.00 0.00 19.45 20.39 3kk9 n ALA 61 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3kk9 h ARG 62 N 0.00 0.55 0.57 0.00 2.43 -1.21 -1.93 114.38 114.78 3kk9 h ARG 62 Ca 0.00 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3kk9 h ARG 62 Cb 0.00 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3kk9 h ARG 62 CO 0.00 0.36 -0.27 0.82 -1.51 0.00 0.00 179.97 179.37 3kk9 h ILE 63 N 0.56 0.00 -1.08 1.20 2.04 -0.91 -2.97 117.51 116.35 3kk9 h ILE 63 Ca 0.36 -0.09 0.29 0.00 1.00 0.00 0.00 64.86 66.43 3kk9 h ILE 63 Cb 0.42 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.42 3kk9 h ILE 63 CO -0.30 0.00 0.72 0.00 0.00 0.00 0.00 178.15 178.57 3kk9 h ARG 65 N 0.29 1.07 -0.54 0.00 9.65 -1.24 -1.90 114.38 121.71 3kk9 h ARG 65 Ca 0.60 -0.06 -0.07 0.00 -1.10 0.00 0.00 59.98 59.35 3kk9 h ARG 65 Cb 1.73 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 30.05 3kk9 h ARG 65 CO -0.25 0.71 0.08 0.87 2.80 0.00 0.00 179.97 184.18 3kk9 h LYS 66 N 1.10 0.89 -6.11 0.20 1.57 0.47 -3.45 116.57 111.25 3kk9 h LYS 66 Ca 0.43 -0.25 -0.56 0.00 -1.87 0.00 0.00 60.65 58.40 3kk9 h LYS 66 Cb 0.21 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 3kk9 h LYS 66 CO -0.19 0.88 0.23 -0.51 -0.57 0.00 0.00 179.45 179.29 3kk9 s LEU 67 N -9.49 4.30 -0.13 2.94 1.43 -0.71 -5.04 118.68 111.97 3kk9 s LEU 67 Ca -0.12 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 3kk9 s LEU 67 Cb 0.12 -3.24 0.02 0.00 0.03 0.00 0.00 46.19 43.12 3kk9 s LEU 67 CO 0.82 -0.22 -0.11 -1.10 0.23 0.00 0.00 176.35 175.97 3kk9 s GLN 68 N 1.17 1.89 -0.09 1.70 -0.21 -1.26 -4.75 119.66 118.11 3kk9 s GLN 68 Ca 0.41 -0.40 -0.30 0.00 0.02 0.00 0.00 55.36 55.09 3kk9 s GLN 68 Cb -0.18 -1.82 0.10 0.00 1.00 0.00 0.00 33.01 32.11 3kk9 s GLN 68 CO 0.19 -0.24 0.85 -1.58 -2.12 0.00 0.00 175.29 172.39 3kk9 s HIS 69 N 1.56 -0.49 0.43 0.91 2.46 -1.26 -5.03 115.29 113.87 3kk9 s HIS 69 Ca 0.04 0.79 0.10 0.00 0.47 0.00 0.00 55.06 56.46 3kk9 s HIS 69 Cb -0.13 0.44 0.96 0.00 -0.13 0.00 0.00 32.58 33.73 3kk9 s HIS 69 CO -0.09 -0.48 2.07 -1.35 -2.47 0.00 0.00 174.74 172.42 3kk9 h PRO 70 N 2.68 0.42 -0.76 2.88 0.11 -2.00 -2.67 132.00 132.66 3kk9 h PRO 70 Ca -0.23 -0.03 -0.31 0.00 0.11 0.00 0.00 66.00 65.55 3kk9 h PRO 70 Cb 1.16 -0.09 -0.18 0.00 0.11 0.00 0.00 31.00 32.00 3kk9 h PRO 70 CO 0.35 0.28 0.35 0.09 -0.21 0.00 0.00 178.00 178.85 3kk9 n ASN 71 N -4.49 4.10 -3.59 -2.05 4.13 -1.26 -4.82 115.26 107.28 3kk9 n ASN 71 Ca 0.03 -3.43 -0.28 0.00 1.68 0.00 0.00 54.58 52.58 3kk9 n ASN 71 Cb 0.10 -0.75 -0.16 0.00 -1.54 0.00 0.00 39.78 37.43 3kk9 n ASN 71 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kk9 s ILE 72 N -3.13 -0.00 -0.75 2.41 1.01 -1.01 -1.17 121.20 118.56 3kk9 s ILE 72 Ca 0.54 -0.53 -0.37 0.00 0.00 0.00 0.00 60.65 60.29 3kk9 s ILE 72 Cb 0.45 -0.85 -0.20 0.00 0.01 0.00 0.00 42.46 41.87 3kk9 s ILE 72 CO 0.11 -0.51 2.41 0.52 0.00 0.00 0.00 174.94 177.46 3kk9 n VAL 73 N 5.23 0.00 -2.30 2.92 0.31 -1.14 -4.45 118.33 118.91 3kk9 n VAL 73 Ca -0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 3kk9 n VAL 73 Cb 0.45 -0.50 -0.03 0.00 -0.91 0.00 0.00 33.84 32.86 3kk9 n VAL 73 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3kk9 s ARG 74 N 7.49 4.30 -0.44 5.55 1.81 -1.26 -4.82 118.95 131.59 3kk9 s ARG 74 Ca 1.27 1.87 -0.28 0.00 -1.72 0.00 0.00 55.73 56.88 3kk9 s ARG 74 Cb -1.37 -3.57 0.03 0.00 -0.45 0.00 0.00 34.95 29.59 3kk9 s ARG 74 CO 0.57 -0.54 1.05 -1.17 -0.68 0.00 0.00 175.30 174.53 3kk9 s LEU 75 N 2.36 3.81 -0.07 2.53 2.96 -1.26 -1.90 118.68 127.11 3kk9 s LEU 75 Ca 0.61 0.49 0.06 0.00 -0.22 0.00 0.00 54.13 55.07 3kk9 s LEU 75 Cb -0.29 -3.43 -0.24 0.00 0.50 0.00 0.00 46.19 42.73 3kk9 s LEU 75 CO 0.25 -1.10 0.57 1.41 -1.32 0.00 0.00 176.35 176.16 3kk9 n HIS 76 N 7.40 1.10 -3.93 5.38 8.25 0.21 -4.61 115.22 129.02 3kk9 n HIS 76 Ca 0.10 0.33 -0.08 0.00 -0.26 0.00 0.00 57.72 57.81 3kk9 n HIS 76 Cb 0.48 -1.18 -0.04 0.00 1.12 0.00 0.00 29.99 30.37 3kk9 n HIS 76 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kk9 s ASP 77 N -6.41 -0.16 -0.28 0.41 -1.08 -1.21 -4.98 116.67 102.96 3kk9 s ASP 77 Ca -0.10 -0.79 0.01 0.00 -0.52 0.00 0.00 52.55 51.15 3kk9 s ASP 77 Cb 0.07 0.63 0.15 0.00 -1.46 0.00 0.00 42.92 42.32 3kk9 s ASP 77 CO 0.81 -1.20 0.39 -0.55 0.52 0.00 0.00 175.17 175.13 3kk9 s SER 78 N -2.97 0.50 0.02 -0.34 0.15 -1.26 -1.35 113.70 108.45 3kk9 s SER 78 Ca 0.18 -0.30 0.02 0.00 0.70 0.00 0.00 55.95 56.54 3kk9 s SER 78 Cb -0.02 1.04 -0.04 0.00 -1.71 0.00 0.00 66.02 65.29 3kk9 s SER 78 CO 0.07 -0.35 -0.01 -0.63 1.20 0.00 0.00 173.24 173.53 3kk9 s ILE 79 N 2.52 4.08 -0.27 6.45 1.01 -0.27 -4.95 121.20 129.78 3kk9 s ILE 79 Ca 0.10 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.08 3kk9 s ILE 79 Cb -0.13 -2.84 0.06 0.00 0.01 0.00 0.00 42.46 39.56 3kk9 s ILE 79 CO -0.28 0.33 -0.10 -1.58 0.00 0.00 0.00 174.94 173.31 3kk9 s GLN 80 N -1.70 2.22 -0.65 2.79 2.00 -1.26 0.43 119.66 123.49 3kk9 s GLN 80 Ca 0.21 -1.37 -0.05 0.00 -2.00 0.00 0.00 55.36 52.14 3kk9 s GLN 80 Cb -0.12 -2.92 0.17 0.00 0.80 0.00 0.00 33.01 30.94 3kk9 s GLN 80 CO 0.12 -0.59 0.49 -1.21 -0.50 0.00 0.00 175.29 173.60 3kk9 s GLU 81 N 1.10 2.74 0.39 1.67 2.02 0.19 -4.81 118.70 122.00 3kk9 s GLU 81 Ca -0.08 -2.46 0.00 0.00 0.02 0.00 0.00 54.97 52.45 3kk9 s GLU 81 Cb -0.20 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.16 3kk9 s GLU 81 CO -0.05 -1.19 0.00 -1.91 0.02 0.00 0.00 175.26 172.13 3kk9 n GLU 82 N 3.68 0.00 0.00 1.61 4.07 -1.26 -1.28 120.64 127.46 3kk9 n GLU 82 Ca 0.08 0.00 0.03 0.00 -0.06 0.00 0.00 57.16 57.21 3kk9 n GLU 82 Cb 0.40 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.80 3kk9 n GLU 82 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3kk9 n SER 83 N 1.27 1.34 -4.06 4.31 3.41 -1.26 -4.89 113.62 113.73 3kk9 n SER 83 Ca 0.00 -1.17 -0.23 0.00 -0.26 0.00 0.00 58.87 57.21 3kk9 n SER 83 Cb 0.00 0.12 -0.16 0.00 -0.26 0.00 0.00 64.21 63.91 3kk9 n SER 83 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3kk9 s PHE 84 N -0.60 1.29 -0.21 7.33 0.40 -0.40 -0.84 117.98 124.94 3kk9 s PHE 84 Ca 0.06 -0.35 -0.06 0.00 -0.60 0.00 0.00 56.93 55.99 3kk9 s PHE 84 Cb 0.05 -0.89 -0.03 0.00 0.51 0.00 0.00 43.02 42.66 3kk9 s PHE 84 CO 0.09 -0.13 0.02 -1.58 0.70 0.00 0.00 175.22 174.32 3kk9 s HIS 85 N 0.13 3.06 -0.09 0.36 2.46 0.07 -0.64 115.29 120.64 3kk9 s HIS 85 Ca -0.04 -0.44 -0.09 0.00 0.47 0.00 0.00 55.06 54.96 3kk9 s HIS 85 Cb -0.10 -2.12 -0.04 0.00 -0.13 0.00 0.00 32.58 30.19 3kk9 s HIS 85 CO 0.01 -0.25 0.21 0.71 -2.47 0.00 0.00 174.74 172.95 3kk9 s TYR 86 N 1.11 3.62 -0.22 3.88 1.51 0.17 -1.63 117.35 125.78 3kk9 s TYR 86 Ca 0.03 0.64 0.00 0.00 -1.01 0.00 0.00 57.07 56.73 3kk9 s TYR 86 Cb -0.14 -2.05 0.06 0.00 -0.11 0.00 0.00 41.96 39.71 3kk9 s TYR 86 CO 0.02 0.68 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.59 3kk9 s LEU 87 N -0.93 2.27 -0.40 -1.29 1.43 -0.38 -1.11 118.68 118.27 3kk9 s LEU 87 Ca 0.17 -1.09 -0.27 0.00 -1.03 0.00 0.00 54.13 51.91 3kk9 s LEU 87 Cb -0.13 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.05 3kk9 s LEU 87 CO 0.06 -0.25 0.99 -0.69 0.23 0.00 0.00 176.35 176.70 3kk9 s VAL 88 N 1.49 4.47 0.14 -1.59 1.01 -0.46 -1.81 120.40 123.66 3kk9 s VAL 88 Ca -0.05 1.20 0.09 0.00 0.00 0.00 0.00 61.98 63.22 3kk9 s VAL 88 Cb -0.18 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 3kk9 s VAL 88 CO -0.07 -0.68 -0.13 -0.36 0.00 0.00 0.00 175.10 173.86 3kk9 s PHE 89 N 3.76 2.61 0.18 5.22 0.08 0.17 0.64 117.98 130.64 3kk9 s PHE 89 Ca 0.41 -0.22 -0.28 0.00 0.12 0.00 0.00 56.93 56.96 3kk9 s PHE 89 Cb -0.11 -1.33 -0.17 0.00 -0.57 0.00 0.00 43.02 40.84 3kk9 s PHE 89 CO 0.22 0.45 0.54 -0.25 -0.10 0.00 0.00 175.22 176.08 3kk9 n ASP 90 N 0.44 -1.12 -4.67 1.36 10.43 -0.80 -0.71 116.55 121.49 3kk9 n ASP 90 Ca -0.13 1.09 -0.42 0.00 2.57 0.00 0.00 54.79 57.91 3kk9 n ASP 90 Cb 0.54 -0.91 -0.04 0.00 1.84 0.00 0.00 41.12 42.55 3kk9 n ASP 90 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3kk9 s LEU 91 N 2.69 4.16 0.12 0.64 2.96 -1.26 -3.75 118.68 124.23 3kk9 s LEU 91 Ca 0.64 1.19 0.11 0.00 -0.22 0.00 0.00 54.13 55.84 3kk9 s LEU 91 Cb -0.92 -3.27 -0.04 0.00 0.50 0.00 0.00 46.19 42.46 3kk9 s LEU 91 CO 0.54 -0.44 -0.26 -0.69 -1.32 0.00 0.00 176.35 174.18 3kk9 s VAL 92 N 2.33 2.31 0.00 1.68 1.01 -1.26 -4.92 120.40 121.54 3kk9 s VAL 92 Ca 0.39 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.67 3kk9 s VAL 92 Cb -0.16 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.20 3kk9 s VAL 92 CO 0.11 0.12 0.34 0.35 0.00 0.00 0.00 175.10 176.02 3kk9 n THR 93 N 0.98 0.00 0.83 3.92 -2.24 0.14 -4.82 114.28 113.09 3kk9 n THR 93 Ca -0.18 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.72 3kk9 n THR 93 Cb 0.53 0.98 0.08 0.00 -2.10 0.00 0.00 70.33 69.82 3kk9 n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kk9 n GLY 94 N 0.00 -1.18 5.88 3.38 0.00 0.92 -4.02 105.19 110.17 3kk9 n GLY 94 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3kk9 n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kk9 n GLY 95 N 1.45 -2.06 3.79 -0.02 0.00 -1.25 -4.64 105.19 102.46 3kk9 n GLY 95 Ca 0.04 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 3kk9 n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kk9 s GLU 96 N -0.18 2.88 0.47 1.61 2.02 -1.26 -0.72 118.70 123.52 3kk9 s GLU 96 Ca 0.00 1.21 0.31 0.00 0.02 0.00 0.00 54.97 56.51 3kk9 s GLU 96 Cb 0.00 -1.97 1.26 0.00 0.10 0.00 0.00 34.13 33.52 3kk9 s GLU 96 CO 0.00 -1.16 1.91 1.25 0.02 0.00 0.00 175.26 177.28 3kk9 h LEU 97 N -0.20 0.00 0.87 1.80 5.85 -0.10 -3.20 115.31 120.33 3kk9 h LEU 97 Ca -0.46 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 3kk9 h LEU 97 Cb 1.23 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.27 3kk9 h LEU 97 CO 0.55 0.00 -0.42 0.15 -0.34 0.00 0.00 178.44 178.38 3kk9 h PHE 98 N 0.00 -1.08 0.00 1.25 3.57 -1.63 -0.40 116.94 118.65 3kk9 h PHE 98 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3kk9 h PHE 98 Cb 0.47 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.57 3kk9 h PHE 98 CO 0.00 -0.67 0.00 0.93 -2.23 0.00 0.00 178.31 176.34 3kk9 h GLU 99 N -1.31 0.00 0.12 1.11 4.39 -1.86 -1.05 114.58 115.98 3kk9 h GLU 99 Ca -0.12 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.31 3kk9 h GLU 99 Cb 0.89 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3kk9 h GLU 99 CO 0.20 0.00 -1.36 0.22 -1.16 0.00 0.00 179.01 176.90 3kk9 h ASP 100 N 0.00 0.38 0.04 1.42 3.58 -1.51 -3.11 116.42 117.22 3kk9 h ASP 100 Ca 0.00 -0.86 0.01 0.00 0.42 0.00 0.00 57.03 56.61 3kk9 h ASP 100 Cb 0.00 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 3kk9 h ASP 100 CO 0.00 1.60 -0.12 0.40 -2.88 0.00 0.00 179.24 178.24 3kk9 h ILE 101 N -0.32 0.71 -0.83 2.25 2.04 -0.00 -1.93 117.51 119.43 3kk9 h ILE 101 Ca -0.29 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.69 3kk9 h ILE 101 Cb 1.75 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 38.46 3kk9 h ILE 101 CO 0.06 0.00 0.45 -0.37 0.00 0.00 0.00 178.15 178.29 3kk9 h VAL 102 N -0.22 0.82 -0.01 1.67 -1.51 -1.39 2.10 116.25 117.70 3kk9 h VAL 102 Ca 0.03 -0.24 -0.00 0.00 -1.23 0.00 0.00 66.70 65.26 3kk9 h VAL 102 Cb 0.26 0.06 -0.00 0.00 -2.13 0.00 0.00 31.29 29.47 3kk9 h VAL 102 CO -0.09 0.13 0.00 0.00 -1.23 0.00 0.00 177.57 176.38 3kk9 h ALA 103 N 1.50 0.01 -0.04 5.19 0.00 -1.38 -2.42 119.26 122.13 3kk9 h ALA 103 Ca 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3kk9 h ALA 103 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kk9 h ALA 103 CO -0.31 -0.46 0.00 0.54 0.00 0.00 0.00 179.25 179.03 3kk9 n ARG 104 N -5.05 1.78 0.00 0.00 1.74 -0.77 -4.95 116.66 109.42 3kk9 n ARG 104 Ca -0.07 -1.14 0.00 0.00 -0.77 0.00 0.00 57.85 55.87 3kk9 n ARG 104 Cb 0.06 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 3kk9 n ARG 104 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kk9 n GLU 105 N 0.38 0.00 -3.83 5.56 1.02 0.71 -4.71 120.64 119.77 3kk9 n GLU 105 Ca 0.18 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.23 3kk9 n GLU 105 Cb 0.39 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.83 3kk9 n GLU 105 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3kk9 s PHE 106 N 0.00 0.20 0.29 -0.32 -0.12 -1.24 -4.00 117.98 112.80 3kk9 s PHE 106 Ca 0.00 -0.85 0.09 0.00 -0.05 0.00 0.00 56.93 56.13 3kk9 s PHE 106 Cb 0.00 0.76 -0.05 0.00 -0.63 0.00 0.00 43.02 43.11 3kk9 s PHE 106 CO 0.00 -1.54 0.00 0.71 -0.05 0.00 0.00 175.22 174.34 3kk9 s TYR 107 N -2.35 2.63 0.91 3.49 4.12 -0.27 -5.04 117.35 120.83 3kk9 s TYR 107 Ca 0.17 -0.30 -0.15 0.00 0.02 0.00 0.00 57.07 56.80 3kk9 s TYR 107 Cb -0.05 -1.31 0.23 0.00 -1.52 0.00 0.00 41.96 39.31 3kk9 s TYR 107 CO 0.12 0.56 0.77 -1.13 0.02 0.00 0.00 175.55 175.89 3kk9 n SER 108 N -0.92 -1.97 0.13 2.29 3.41 -1.26 -4.70 113.62 110.59 3kk9 n SER 108 Ca -0.05 -0.95 -0.24 0.00 -0.26 0.00 0.00 58.87 57.37 3kk9 n SER 108 Cb 0.60 -0.72 -0.16 0.00 -0.26 0.00 0.00 64.21 63.67 3kk9 n SER 108 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kk9 h GLU 109 N 0.00 0.51 0.29 4.33 5.08 -1.96 -2.83 114.58 119.99 3kk9 h GLU 109 Ca -0.30 -0.86 -0.01 0.00 -1.00 0.00 0.00 59.36 57.19 3kk9 h GLU 109 Cb 0.91 0.32 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 3kk9 h GLU 109 CO 0.19 1.41 -0.17 0.00 -1.00 0.00 0.00 179.01 179.45 3kk9 h ALA 110 N 0.14 -0.43 -0.71 3.43 0.00 -1.96 0.18 119.26 119.91 3kk9 h ALA 110 Ca -0.26 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.63 3kk9 h ALA 110 Cb 2.12 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 20.06 3kk9 h ALA 110 CO 0.25 -0.75 0.47 -0.44 0.00 0.00 0.00 179.25 178.78 3kk9 h ASP 111 N -0.43 0.64 0.14 0.00 3.45 -1.95 -2.16 116.42 116.10 3kk9 h ASP 111 Ca -0.03 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.42 3kk9 h ASP 111 Cb 0.35 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 3kk9 h ASP 111 CO 0.04 0.41 -0.07 0.00 -1.57 0.00 0.00 179.24 178.06 3kk9 h ALA 112 N 1.62 -0.19 -0.26 3.45 0.00 -1.17 -2.30 119.26 120.41 3kk9 h ALA 112 Ca 0.31 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3kk9 h ALA 112 Cb 0.27 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3kk9 h ALA 112 CO -0.10 -0.42 -0.06 1.03 0.00 0.00 0.00 179.25 179.69 3kk9 h SER 113 N -0.55 -0.23 0.23 0.00 0.87 -0.71 0.25 113.55 113.41 3kk9 h SER 113 Ca -0.02 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3kk9 h SER 113 Cb 0.43 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 3kk9 h SER 113 CO 0.03 -0.08 -0.36 -0.74 -0.53 0.00 0.00 176.83 175.15 3kk9 h HIS 114 N 0.00 -1.01 -0.50 2.24 6.17 -1.45 0.50 115.15 121.09 3kk9 h HIS 114 Ca 0.12 0.02 0.09 0.00 0.71 0.00 0.00 60.37 61.31 3kk9 h HIS 114 Cb 0.19 0.41 -0.10 0.00 2.52 0.00 0.00 27.41 30.43 3kk9 h HIS 114 CO -0.25 -0.44 -0.35 0.00 0.71 0.00 0.00 177.93 177.59 3kk9 h ILE 116 N -0.22 1.07 -0.92 0.00 6.09 -0.30 -2.02 117.51 121.20 3kk9 h ILE 116 Ca 0.19 -0.13 0.21 0.00 -1.37 0.00 0.00 64.86 63.76 3kk9 h ILE 116 Cb 0.55 0.69 -0.12 0.00 0.47 0.00 0.00 36.82 38.41 3kk9 h ILE 116 CO -0.62 0.07 0.48 -0.61 -3.07 0.00 0.00 178.15 174.40 3kk9 h GLN 117 N 0.35 0.52 0.44 2.19 4.15 0.11 0.68 115.11 123.56 3kk9 h GLN 117 Ca 0.10 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3kk9 h GLN 117 Cb -0.04 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.54 3kk9 h GLN 117 CO -0.02 0.34 -0.22 1.96 -1.93 0.00 0.00 178.83 178.96 3kk9 h GLN 118 N 0.54 -0.59 -0.91 1.69 4.20 -0.57 -1.85 115.11 117.62 3kk9 h GLN 118 Ca 0.56 0.04 0.05 0.00 0.06 0.00 0.00 58.65 59.36 3kk9 h GLN 118 Cb 0.99 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.85 3kk9 h GLN 118 CO -0.46 -0.39 0.60 0.82 -0.67 0.00 0.00 178.83 178.72 3kk9 h ILE 119 N -0.61 1.11 -0.46 2.54 2.04 -0.28 -0.35 117.51 121.49 3kk9 h ILE 119 Ca -0.06 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3kk9 h ILE 119 Cb 0.47 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3kk9 h ILE 119 CO 0.09 0.20 0.29 -0.07 0.00 0.00 0.00 178.15 178.67 3kk9 h LEU 120 N 1.09 0.53 0.00 1.44 3.38 0.49 -1.48 115.31 120.76 3kk9 h LEU 120 Ca 0.38 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 3kk9 h LEU 120 Cb 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3kk9 h LEU 120 CO -0.13 0.39 -0.08 -0.33 0.09 0.00 0.00 178.44 178.38 3kk9 h GLU 121 N 0.62 0.05 -1.00 1.13 5.08 -0.24 0.14 114.58 120.36 3kk9 h GLU 121 Ca 0.17 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.58 3kk9 h GLU 121 Cb -0.06 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.13 3kk9 h GLU 121 CO -0.03 0.85 0.63 0.66 -1.00 0.00 0.00 179.01 180.12 3kk9 h SER 122 N -0.73 0.93 0.28 1.42 4.64 -1.29 -0.95 113.55 117.86 3kk9 h SER 122 Ca -0.01 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 3kk9 h SER 122 Cb 0.88 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3kk9 h SER 122 CO 0.02 0.51 -0.13 0.40 -0.87 0.00 0.00 176.83 176.75 3kk9 h ILE 123 N 1.01 0.68 -1.06 0.95 1.08 -1.23 -2.29 117.51 116.65 3kk9 h ILE 123 Ca 0.48 -0.77 0.28 0.00 -0.39 0.00 0.00 64.86 64.47 3kk9 h ILE 123 Cb 0.45 1.04 -0.08 0.00 -3.07 0.00 0.00 36.82 35.16 3kk9 h ILE 123 CO -0.25 0.14 0.71 0.00 -0.69 0.00 0.00 178.15 178.06 3kk9 h ALA 124 N -0.34 2.48 0.52 1.87 0.00 -0.51 0.59 119.26 123.87 3kk9 h ALA 124 Ca -0.04 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3kk9 h ALA 124 Cb 0.51 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kk9 h ALA 124 CO 0.06 -0.86 -0.25 -0.92 0.00 0.00 0.00 179.25 177.28 3kk9 h TYR 125 N 0.28 -0.65 -0.69 0.00 3.20 -1.01 -0.18 116.97 117.91 3kk9 h TYR 125 Ca 0.58 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.58 3kk9 h TYR 125 Cb 1.70 0.22 -0.11 0.00 1.54 0.00 0.00 36.73 40.08 3kk9 h TYR 125 CO -0.00 -0.33 0.13 0.00 -1.64 0.00 0.00 178.16 176.31 3kk9 h HIS 127 N 0.23 0.00 -0.00 0.00 3.86 -0.67 0.22 115.15 118.79 3kk9 h HIS 127 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 3kk9 h HIS 127 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 3kk9 h HIS 127 CO -0.28 0.00 -0.19 -1.13 0.86 0.00 0.00 177.93 177.19 3kk9 n SER 128 N -4.23 0.42 -1.60 2.45 3.41 0.54 -3.55 113.62 111.06 3kk9 n SER 128 Ca -0.03 -0.31 -0.15 0.00 -0.26 0.00 0.00 58.87 58.13 3kk9 n SER 128 Cb 0.10 -0.07 0.10 0.00 -0.26 0.00 0.00 64.21 64.08 3kk9 n SER 128 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kk9 n ASN 129 N -1.17 4.08 -0.66 4.04 3.02 0.48 -4.94 115.26 120.12 3kk9 n ASN 129 Ca 0.11 -3.80 -0.07 0.00 -0.03 0.00 0.00 54.58 50.79 3kk9 n ASN 129 Cb 0.31 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 3kk9 n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kk9 n GLY 130 N -0.89 0.67 3.57 7.41 0.00 -1.11 -4.92 105.19 109.93 3kk9 n GLY 130 Ca 0.39 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 3kk9 n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kk9 s ILE 131 N -1.45 5.07 -0.09 -0.61 -1.09 0.46 -0.51 121.20 122.99 3kk9 s ILE 131 Ca 0.00 0.09 -0.01 0.00 -2.23 0.00 0.00 60.65 58.49 3kk9 s ILE 131 Cb 0.00 -3.40 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 3kk9 s ILE 131 CO 0.00 0.29 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.29 3kk9 s VAL 132 N 1.59 4.14 -0.13 2.92 1.01 -0.36 -2.66 120.40 126.92 3kk9 s VAL 132 Ca 0.07 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 3kk9 s VAL 132 Cb -0.15 -2.74 -0.25 0.00 0.00 0.00 0.00 36.38 33.24 3kk9 s VAL 132 CO 0.08 0.59 0.55 -0.74 0.00 0.00 0.00 175.10 175.58 3kk9 h HIS 133 N 5.34 0.23 0.00 5.22 2.76 -1.91 0.32 115.15 127.10 3kk9 h HIS 133 Ca -0.48 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 57.52 3kk9 h HIS 133 Cb 1.19 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.14 3kk9 h HIS 133 CO 0.61 1.38 0.00 0.54 -1.30 0.00 0.00 177.93 179.16 3kk9 n ARG 134 N -4.24 0.00 -2.08 5.26 1.74 -1.26 -2.29 116.66 113.79 3kk9 n ARG 134 Ca -0.22 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.53 3kk9 n ARG 134 Cb 0.73 -0.03 0.03 0.00 -1.02 0.00 0.00 32.46 32.17 3kk9 n ARG 134 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3kk9 n ASN 135 N 1.79 6.24 -4.71 0.55 5.15 -1.26 -4.64 115.26 118.37 3kk9 n ASN 135 Ca 0.00 -3.78 -0.42 0.00 -0.60 0.00 0.00 54.58 49.78 3kk9 n ASN 135 Cb 0.00 -0.76 -0.03 0.00 -0.53 0.00 0.00 39.78 38.46 3kk9 n ASN 135 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3kk9 s LEU 136 N -3.80 4.37 -0.17 1.20 2.96 -1.26 -4.90 118.68 117.08 3kk9 s LEU 136 Ca 0.52 2.09 -0.35 0.00 -0.22 0.00 0.00 54.13 56.17 3kk9 s LEU 136 Cb 0.43 -3.58 0.14 0.00 0.50 0.00 0.00 46.19 43.68 3kk9 s LEU 136 CO -0.25 -0.51 1.26 -1.59 -1.32 0.00 0.00 176.35 173.94 3kk9 s LYS 137 N 1.06 0.27 0.36 1.98 -2.85 -1.26 -4.93 119.74 114.37 3kk9 s LYS 137 Ca 0.60 -0.11 0.27 0.00 -1.00 0.00 0.00 55.97 55.73 3kk9 s LYS 137 Cb -0.31 0.11 1.19 0.00 -2.06 0.00 0.00 37.83 36.77 3kk9 s LYS 137 CO 0.29 -0.12 1.81 -1.35 0.10 0.00 0.00 175.35 176.09 3kk9 h PRO 138 N 2.00 0.00 0.00 1.78 0.11 -1.94 0.11 132.00 134.06 3kk9 h PRO 138 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3kk9 h PRO 138 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kk9 h PRO 138 CO 0.23 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.41 3kk9 n GLU 139 N -2.50 0.13 -0.02 1.05 4.71 -1.26 -2.02 120.64 120.73 3kk9 n GLU 139 Ca 0.01 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.21 3kk9 n GLU 139 Cb 0.21 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.19 3kk9 n GLU 139 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kk9 n ASN 140 N -1.44 1.92 -4.54 1.62 3.02 0.36 -4.93 115.26 111.27 3kk9 n ASN 140 Ca 0.09 -1.47 -0.36 0.00 -0.03 0.00 0.00 54.58 52.81 3kk9 n ASN 140 Cb 0.31 -0.02 -0.11 0.00 -0.61 0.00 0.00 39.78 39.34 3kk9 n ASN 140 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kk9 s LEU 141 N -0.82 3.62 0.03 3.41 1.43 -1.01 -1.51 118.68 123.83 3kk9 s LEU 141 Ca 0.12 -0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.23 3kk9 s LEU 141 Cb 0.08 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 3kk9 s LEU 141 CO 0.12 0.06 -0.22 -0.76 0.23 0.00 0.00 176.35 175.78 3kk9 s LEU 142 N 1.05 2.37 -0.39 1.79 1.43 0.06 0.32 118.68 125.31 3kk9 s LEU 142 Ca 0.04 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 3kk9 s LEU 142 Cb -0.14 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.69 3kk9 s LEU 142 CO 0.03 0.27 0.38 -0.76 0.23 0.00 0.00 176.35 176.50 3kk9 s LEU 143 N -1.23 4.74 0.11 1.79 1.43 0.10 0.18 118.68 125.80 3kk9 s LEU 143 Ca 0.13 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 3kk9 s LEU 143 Cb -0.10 -2.32 0.17 0.00 0.03 0.00 0.00 46.19 43.96 3kk9 s LEU 143 CO 0.03 -0.46 0.61 0.00 0.23 0.00 0.00 176.35 176.76 3kk9 n ALA 144 N 5.44 0.07 -3.93 4.21 0.00 -0.09 -0.05 120.51 126.15 3kk9 n ALA 144 Ca -0.09 0.43 -0.09 0.00 0.00 0.00 0.00 53.44 53.69 3kk9 n ALA 144 Cb 0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 3kk9 n ALA 144 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kk9 n SER 145 N -4.63 -1.64 0.21 0.00 3.41 -1.26 -0.68 113.62 109.02 3kk9 n SER 145 Ca 0.06 -2.74 0.07 0.00 -0.26 0.00 0.00 58.87 56.00 3kk9 n SER 145 Cb 0.19 2.91 0.42 0.00 -0.26 0.00 0.00 64.21 67.47 3kk9 n SER 145 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3kk9 h LYS 146 N 0.00 0.00 -6.41 4.33 6.56 -1.82 -3.35 116.57 115.88 3kk9 h LYS 146 Ca -0.29 0.00 -0.61 0.00 -1.06 0.00 0.00 60.65 58.70 3kk9 h LYS 146 Cb 1.17 0.00 0.12 0.00 -0.57 0.00 0.00 32.23 32.95 3kk9 h LYS 146 CO 0.38 0.30 -0.07 0.00 -2.06 0.00 0.00 179.45 177.99 3kk9 n ALA 147 N -2.29 -0.78 -1.77 3.86 0.00 -1.26 -4.92 120.51 113.36 3kk9 n ALA 147 Ca -0.00 0.31 -0.39 0.00 0.00 0.00 0.00 53.44 53.35 3kk9 n ALA 147 Cb 0.44 -1.92 -0.04 0.00 0.00 0.00 0.00 19.45 17.94 3kk9 n ALA 147 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kk9 s LYS 148 N -1.58 4.41 0.00 0.00 3.01 -1.26 -2.38 119.74 121.94 3kk9 s LYS 148 Ca 0.61 1.77 0.00 0.00 -1.01 0.00 0.00 55.97 57.35 3kk9 s LYS 148 Cb -0.68 -2.95 0.00 0.00 -1.01 0.00 0.00 37.83 33.20 3kk9 s LYS 148 CO 0.58 0.01 0.00 0.41 0.51 0.00 0.00 175.35 176.87 3kk9 n GLY 149 N 0.88 2.78 3.51 -3.33 0.00 -1.26 -4.99 105.19 102.78 3kk9 n GLY 149 Ca 0.01 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.48 3kk9 n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kk9 n ALA 150 N -0.75 -2.90 -1.41 4.61 0.00 -1.00 -4.80 120.51 114.26 3kk9 n ALA 150 Ca 0.00 0.56 -0.36 0.00 0.00 0.00 0.00 53.44 53.64 3kk9 n ALA 150 Cb 0.00 -1.81 0.08 0.00 0.00 0.00 0.00 19.45 17.72 3kk9 n ALA 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kk9 n ALA 151 N 1.48 -0.19 -2.64 0.00 0.00 -1.26 -4.59 120.51 113.30 3kk9 n ALA 151 Ca 0.19 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 53.11 3kk9 n ALA 151 Cb 0.13 -2.11 -0.10 0.00 0.00 0.00 0.00 19.45 17.38 3kk9 n ALA 151 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kk9 s VAL 152 N -1.76 5.34 -0.12 0.00 1.01 -1.26 -0.91 120.40 122.70 3kk9 s VAL 152 Ca 0.74 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.94 3kk9 s VAL 152 Cb -0.36 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3kk9 s VAL 152 CO 0.50 0.31 -0.18 -0.54 0.00 0.00 0.00 175.10 175.19 3kk9 s LYS 153 N 1.26 3.21 0.31 2.72 1.02 0.46 -4.55 119.74 124.18 3kk9 s LYS 153 Ca 0.08 -0.78 -0.28 0.00 0.02 0.00 0.00 55.97 55.01 3kk9 s LYS 153 Cb -0.14 -2.50 -0.09 0.00 -0.52 0.00 0.00 37.83 34.58 3kk9 s LYS 153 CO 0.06 0.15 1.07 -1.17 -0.92 0.00 0.00 175.35 174.55 3kk9 s LEU 154 N 0.45 4.45 0.00 3.17 2.96 -0.32 -0.76 118.68 128.63 3kk9 s LEU 154 Ca -0.13 2.17 0.00 0.00 -0.22 0.00 0.00 54.13 55.96 3kk9 s LEU 154 Cb -0.17 -3.78 -0.00 0.00 0.50 0.00 0.00 46.19 42.74 3kk9 s LEU 154 CO 0.06 -0.21 0.07 0.00 -1.32 0.00 0.00 176.35 174.94 3kk9 n ALA 155 N 0.86 -0.01 -3.47 5.97 0.00 -0.57 -2.88 120.51 120.41 3kk9 n ALA 155 Ca 0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 53.44 52.96 3kk9 n ALA 155 Cb 0.46 0.21 0.01 0.00 0.00 0.00 0.00 19.45 20.13 3kk9 n ALA 155 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kk9 n ASP 156 N -2.26 -5.91 -1.08 0.00 2.03 -1.26 -4.88 116.55 103.19 3kk9 n ASP 156 Ca 0.00 -0.40 0.05 0.00 0.52 0.00 0.00 54.79 54.97 3kk9 n ASP 156 Cb 0.09 -2.72 0.21 0.00 -0.72 0.00 0.00 41.12 37.98 3kk9 n ASP 156 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3kk9 n PHE 157 N -1.48 0.93 0.30 -0.67 3.72 -1.26 -4.42 117.46 114.57 3kk9 n PHE 157 Ca -0.15 -0.36 0.11 0.00 -0.05 0.00 0.00 57.45 57.01 3kk9 n PHE 157 Cb 0.63 -0.20 0.60 0.00 -0.94 0.00 0.00 39.48 39.57 3kk9 n PHE 157 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3kk9 h GLY 158 N 4.71 0.00 0.00 1.37 0.00 -1.91 0.81 103.07 108.05 3kk9 h GLY 158 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3kk9 h GLY 158 CO 0.17 0.00 -1.59 1.04 0.00 0.00 0.00 176.54 176.16 3kk9 n LEU 159 N -2.64 0.00 -4.39 3.11 4.77 -1.26 -4.80 117.00 111.79 3kk9 n LEU 159 Ca -0.01 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.49 3kk9 n LEU 159 Cb 0.45 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 3kk9 n LEU 159 CO 0.10 0.12 -0.01 0.00 -1.33 0.00 0.00 177.39 176.27 3kk9 n ALA 160 N -2.12 -2.88 -2.26 -1.18 0.00 0.28 -4.83 120.51 107.53 3kk9 n ALA 160 Ca -0.09 0.44 -0.14 0.00 0.00 0.00 0.00 53.44 53.65 3kk9 n ALA 160 Cb 0.54 -1.61 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 3kk9 n ALA 160 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3kk9 s ILE 161 N -1.00 0.94 -0.17 0.00 -4.36 0.11 -4.92 121.20 111.80 3kk9 s ILE 161 Ca 0.64 -2.02 -0.05 0.00 -0.26 0.00 0.00 60.65 58.96 3kk9 s ILE 161 Cb -0.93 -2.03 -0.03 0.00 1.25 0.00 0.00 42.46 40.72 3kk9 s ILE 161 CO 0.56 -0.58 0.00 -1.61 0.24 0.00 0.00 174.94 173.55 3kk9 s GLU 162 N -3.84 3.78 0.15 0.37 2.02 -1.26 -1.22 118.70 118.71 3kk9 s GLU 162 Ca 0.21 -0.46 0.05 0.00 0.02 0.00 0.00 54.97 54.79 3kk9 s GLU 162 Cb 0.05 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 3kk9 s GLU 162 CO 0.03 0.24 -0.11 0.14 0.02 0.00 0.00 175.26 175.58 3kk9 s VAL 163 N 0.40 1.25 0.00 2.63 -7.23 0.34 -5.02 120.40 112.77 3kk9 s VAL 163 Ca -0.01 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 3kk9 s VAL 163 Cb -0.14 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 34.95 3kk9 s VAL 163 CO 0.02 -0.72 0.00 -0.46 -0.31 0.00 0.00 175.10 173.63 3kk9 n ASN 164 N -0.19 0.00 -0.31 4.85 0.23 -1.26 -4.60 115.26 113.98 3kk9 n ASN 164 Ca -0.10 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.09 3kk9 n ASN 164 Cb 0.60 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.80 3kk9 n ASN 164 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3kk9 n ASP 165 N 0.00 1.09 -4.42 0.53 5.75 -1.26 -4.91 116.55 113.33 3kk9 n ASP 165 Ca 0.00 -1.09 -0.29 0.00 -0.01 0.00 0.00 54.79 53.40 3kk9 n ASP 165 Cb 0.00 0.05 -0.13 0.00 -1.03 0.00 0.00 41.12 40.01 3kk9 n ASP 165 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3kk9 s SER 166 N -2.28 3.51 0.27 -1.12 0.01 -1.26 -5.13 113.70 107.71 3kk9 s SER 166 Ca 0.31 -0.67 -0.21 0.00 1.31 0.00 0.00 55.95 56.70 3kk9 s SER 166 Cb 0.20 -0.34 -0.09 0.00 0.21 0.00 0.00 66.02 66.00 3kk9 s SER 166 CO 0.43 0.19 0.80 -1.61 0.41 0.00 0.00 173.24 173.46 3kk9 s GLU 167 N -2.02 4.32 0.10 12.44 2.02 -1.26 -4.97 118.70 129.33 3kk9 s GLU 167 Ca 0.15 0.99 -0.25 0.00 0.02 0.00 0.00 54.97 55.88 3kk9 s GLU 167 Cb -0.10 -2.79 0.08 0.00 0.10 0.00 0.00 34.13 31.42 3kk9 s GLU 167 CO 0.07 0.32 0.72 0.00 0.02 0.00 0.00 175.26 176.39 3kk9 s ALA 168 N -1.62 -1.67 0.06 5.21 0.00 -1.21 -4.80 121.76 117.73 3kk9 s ALA 168 Ca 0.47 0.65 -0.31 0.00 0.00 0.00 0.00 51.96 52.77 3kk9 s ALA 168 Cb -0.16 0.70 -0.06 0.00 0.00 0.00 0.00 23.12 23.60 3kk9 s ALA 168 CO 0.21 -0.75 1.33 -0.46 0.00 0.00 0.00 175.76 176.08 3kk9 s TRP 169 N -3.51 3.19 -0.19 0.00 -0.00 -1.26 -2.08 118.94 115.09 3kk9 s TRP 169 Ca 0.03 1.03 0.14 0.00 -0.00 0.00 0.00 56.10 57.30 3kk9 s TRP 169 Cb -0.01 -3.59 0.39 0.00 -0.00 0.00 0.00 33.47 30.26 3kk9 s TRP 169 CO -0.10 -2.04 1.24 0.72 -0.00 0.00 0.00 176.95 176.77 3kk9 n HIS 170 N 4.40 0.18 0.00 5.86 8.25 -1.26 -4.97 115.22 127.67 3kk9 n HIS 170 Ca 0.11 -1.31 0.00 0.00 -0.26 0.00 0.00 57.72 56.26 3kk9 n HIS 170 Cb 0.44 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.30 3kk9 n HIS 170 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kk9 n GLY 171 N -1.19 -1.08 3.28 -1.41 0.00 -1.26 -4.86 105.19 98.67 3kk9 n GLY 171 Ca 0.20 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.20 3kk9 n GLY 171 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kk9 s PHE 172 N -1.50 3.27 -0.02 1.61 5.36 -1.26 -5.06 117.98 120.38 3kk9 s PHE 172 Ca 0.00 -1.42 -0.21 0.00 -0.96 0.00 0.00 56.93 54.34 3kk9 s PHE 172 Cb 0.00 -2.38 0.04 0.00 -0.34 0.00 0.00 43.02 40.35 3kk9 s PHE 172 CO 0.00 -0.74 0.47 0.00 -1.46 0.00 0.00 175.22 173.49 3kk9 s ALA 173 N 1.41 -1.20 0.00 11.12 0.00 -1.26 -5.15 121.76 126.68 3kk9 s ALA 173 Ca -0.01 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.65 3kk9 s ALA 173 Cb -0.20 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3kk9 s ALA 173 CO 0.03 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.86 3kk9 n GLY 174 N 1.01 -0.03 3.05 0.00 0.00 -1.26 -4.88 105.19 103.07 3kk9 n GLY 174 Ca -0.20 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.35 3kk9 n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kk9 s THR 175 N -3.50 1.27 0.00 2.61 2.01 -1.26 -5.03 115.64 111.73 3kk9 s THR 175 Ca 0.00 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.44 3kk9 s THR 175 Cb 0.00 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.36 3kk9 s THR 175 CO 0.00 0.39 0.35 -2.65 -0.69 0.00 0.00 174.62 172.02 3kk9 n PRO 176 N 3.79 0.00 0.00 4.92 -0.02 -1.26 -0.73 135.00 141.69 3kk9 n PRO 176 Ca -0.22 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3kk9 n PRO 176 Cb 0.52 -0.62 0.00 0.00 -0.02 0.00 0.00 33.50 33.38 3kk9 n PRO 176 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kk9 n GLY 177 N -0.84 -0.37 0.00 -1.23 0.00 -1.26 -1.69 105.19 99.79 3kk9 n GLY 177 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3kk9 n GLY 177 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kk9 n TYR 178 N -1.37 0.00 -1.05 1.61 4.01 0.09 -4.87 117.16 115.58 3kk9 n TYR 178 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 3kk9 n TYR 178 Cb 0.12 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.27 3kk9 n TYR 178 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3kk9 n LEU 179 N -1.10 2.28 -4.97 7.72 4.77 -0.68 -4.23 117.00 120.79 3kk9 n LEU 179 Ca 0.01 0.52 -0.21 0.00 -0.03 0.00 0.00 56.01 56.30 3kk9 n LEU 179 Cb 0.07 -1.36 -0.00 0.00 -2.33 0.00 0.00 43.42 39.80 3kk9 n LEU 179 CO 0.09 -2.57 0.14 -0.94 -1.33 0.00 0.00 177.39 172.78 3kk9 s SER 180 N -1.95 5.97 0.07 -1.43 1.04 -1.26 -4.91 113.70 111.22 3kk9 s SER 180 Ca 0.67 0.05 -0.34 0.00 0.48 0.00 0.00 55.95 56.81 3kk9 s SER 180 Cb -0.28 -1.44 -0.17 0.00 0.10 0.00 0.00 66.02 64.22 3kk9 s SER 180 CO 0.57 -0.49 1.52 -0.65 0.98 0.00 0.00 173.24 175.17 3kk9 h PRO 181 N 0.72 -1.00 -1.33 4.02 0.11 -1.87 -2.93 132.00 129.72 3kk9 h PRO 181 Ca -0.47 0.07 0.39 0.00 0.11 0.00 0.00 66.00 66.10 3kk9 h PRO 181 Cb 1.25 0.23 -0.06 0.00 0.11 0.00 0.00 31.00 32.53 3kk9 h PRO 181 CO 0.56 -0.67 0.95 1.05 -0.21 0.00 0.00 178.00 179.68 3kk9 h GLU 182 N -1.04 0.02 0.18 1.05 9.09 -1.94 0.25 114.58 122.18 3kk9 h GLU 182 Ca -0.08 -0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.08 3kk9 h GLU 182 Cb 0.86 -0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.99 3kk9 h GLU 182 CO 0.02 0.01 -1.09 0.28 0.05 0.00 0.00 179.01 178.29 3kk9 h VAL 183 N 0.02 1.41 -0.47 -1.06 2.07 -1.81 0.20 116.25 116.61 3kk9 h VAL 183 Ca 0.64 -2.58 -0.11 0.00 0.82 0.00 0.00 66.70 65.48 3kk9 h VAL 183 Cb 2.52 3.09 -0.02 0.00 -1.52 0.00 0.00 31.29 35.36 3kk9 h VAL 183 CO -0.03 0.75 -0.13 -0.07 0.02 0.00 0.00 177.57 178.11 3kk9 h LEU 184 N -0.12 0.87 0.00 2.57 3.38 -0.52 -0.24 115.31 121.25 3kk9 h LEU 184 Ca -0.19 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3kk9 h LEU 184 Cb 1.85 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.36 3kk9 h LEU 184 CO 0.21 1.01 0.00 0.29 0.09 0.00 0.00 178.44 180.04 3kk9 n LYS 185 N -4.14 0.06 -2.89 1.13 5.02 0.57 -4.85 118.16 113.06 3kk9 n LYS 185 Ca 0.01 0.24 -0.21 0.00 -2.02 0.00 0.00 58.31 56.34 3kk9 n LYS 185 Cb 0.39 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.92 3kk9 n LYS 185 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kk9 n LYS 186 N -1.42 -3.64 -2.09 1.97 5.02 -0.10 -4.99 118.16 112.90 3kk9 n LYS 186 Ca 0.04 0.81 -0.29 0.00 -2.02 0.00 0.00 58.31 56.85 3kk9 n LYS 186 Cb 0.13 -5.57 0.05 0.00 -0.02 0.00 0.00 35.03 29.61 3kk9 n LYS 186 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kk9 s ASP 187 N -2.49 5.40 0.11 4.39 1.01 0.68 -5.00 116.67 120.76 3kk9 s ASP 187 Ca 0.22 0.92 -0.31 0.00 0.71 0.00 0.00 52.55 54.09 3kk9 s ASP 187 Cb -0.11 -1.76 -0.09 0.00 1.01 0.00 0.00 42.92 41.98 3kk9 s ASP 187 CO 0.28 -1.29 1.61 -2.84 0.21 0.00 0.00 175.17 173.14 3kk9 s PRO 188 N -5.23 4.21 0.26 8.23 0.02 -1.26 -4.61 135.00 136.61 3kk9 s PRO 188 Ca 0.57 2.34 0.05 0.00 0.02 0.00 0.00 61.00 63.97 3kk9 s PRO 188 Cb -0.11 -3.42 -0.06 0.00 0.02 0.00 0.00 34.50 30.94 3kk9 s PRO 188 CO 0.49 -0.68 -0.02 1.52 -0.33 0.00 0.00 177.00 177.98 3kk9 s TYR 189 N 2.03 1.76 0.00 6.54 -0.85 -0.88 -4.55 117.35 121.39 3kk9 s TYR 189 Ca 0.72 -0.84 0.00 0.00 -0.52 0.00 0.00 57.07 56.43 3kk9 s TYR 189 Cb -0.41 -1.03 0.00 0.00 0.38 0.00 0.00 41.96 40.90 3kk9 s TYR 189 CO 0.32 0.09 0.00 0.45 -1.52 0.00 0.00 175.55 174.88 3kk9 n SER 190 N -0.51 1.52 -0.33 -0.18 2.88 -1.26 -3.33 113.62 112.40 3kk9 n SER 190 Ca -0.05 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.61 3kk9 n SER 190 Cb 0.64 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.42 3kk9 n SER 190 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3kk9 h LYS 191 N 0.00 0.77 0.00 -1.46 1.57 -1.97 -2.15 116.57 113.33 3kk9 h LYS 191 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kk9 h LYS 191 Cb 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.14 3kk9 h LYS 191 CO 0.00 0.51 0.00 -2.30 -0.57 0.00 0.00 179.45 177.09 3kk9 n PRO 192 N -4.66 0.12 -0.23 3.15 -0.02 -1.26 -1.98 135.00 130.12 3kk9 n PRO 192 Ca 0.21 0.53 0.05 0.00 -2.02 0.00 0.00 63.50 62.27 3kk9 n PRO 192 Cb 0.50 -1.82 0.30 0.00 -0.02 0.00 0.00 33.50 32.47 3kk9 n PRO 192 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3kk9 h VAL 193 N 0.00 1.06 -0.19 -1.45 -1.51 -1.80 -1.48 116.25 110.88 3kk9 h VAL 193 Ca 0.00 -0.30 -0.10 0.00 -1.23 0.00 0.00 66.70 65.06 3kk9 h VAL 193 Cb 0.11 0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 29.37 3kk9 h VAL 193 CO 0.00 0.16 -0.29 0.44 -1.23 0.00 0.00 177.57 176.65 3kk9 h ASP 194 N 0.88 0.58 -0.88 4.19 3.45 -1.63 -3.05 116.42 119.97 3kk9 h ASP 194 Ca 0.33 -0.53 0.16 0.00 0.43 0.00 0.00 57.03 57.43 3kk9 h ASP 194 Cb 0.19 -0.17 -0.07 0.00 -0.56 0.00 0.00 39.33 38.73 3kk9 h ASP 194 CO -0.11 0.99 0.57 0.40 -1.57 0.00 0.00 179.24 179.52 3kk9 h ILE 195 N 0.19 0.79 -0.64 0.35 1.08 -1.47 0.69 117.51 118.49 3kk9 h ILE 195 Ca 0.02 -0.20 -0.03 0.00 -0.39 0.00 0.00 64.86 64.25 3kk9 h ILE 195 Cb 0.87 0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 34.74 3kk9 h ILE 195 CO 0.07 0.11 0.26 -0.25 -0.69 0.00 0.00 178.15 177.64 3kk9 h TRP 196 N 0.59 0.94 0.00 1.37 2.91 -1.19 -1.36 115.95 119.22 3kk9 h TRP 196 Ca 0.45 -0.05 -0.10 0.00 1.13 0.00 0.00 58.89 60.31 3kk9 h TRP 196 Cb 0.84 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 29.19 3kk9 h TRP 196 CO -0.00 0.72 -0.49 0.00 -1.03 0.00 0.00 178.44 177.64 3kk9 h ALA 197 N 1.36 1.15 0.65 2.65 0.00 -0.89 -2.98 119.26 121.21 3kk9 h ALA 197 Ca 0.22 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3kk9 h ALA 197 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kk9 h ALA 197 CO -0.02 0.61 -0.36 0.00 0.00 0.00 0.00 179.25 179.48 3kk9 h GLY 199 N -0.94 0.89 0.32 0.00 0.00 -1.47 0.38 103.07 102.25 3kk9 h GLY 199 Ca -0.09 0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.46 3kk9 h GLY 199 CO 0.11 -0.37 -0.33 -2.08 0.00 0.00 0.00 176.54 173.87 3kk9 h VAL 200 N 0.04 0.29 -0.94 4.60 2.07 -1.34 0.22 116.25 121.18 3kk9 h VAL 200 Ca 0.47 0.00 0.01 0.00 0.82 0.00 0.00 66.70 68.00 3kk9 h VAL 200 Cb 0.84 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3kk9 h VAL 200 CO -0.83 0.00 0.61 0.40 0.02 0.00 0.00 177.57 177.78 3kk9 h ILE 201 N -0.50 1.25 0.29 4.57 2.04 0.63 -1.17 117.51 124.62 3kk9 h ILE 201 Ca 0.05 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3kk9 h ILE 201 Cb 0.57 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 3kk9 h ILE 201 CO -0.25 0.24 -0.41 0.25 0.00 0.00 0.00 178.15 177.98 3kk9 h LEU 202 N 1.28 -1.16 -0.98 1.44 5.85 0.27 0.49 115.31 122.51 3kk9 h LEU 202 Ca 0.34 0.10 0.17 0.00 0.84 0.00 0.00 57.88 59.34 3kk9 h LEU 202 Cb -0.13 0.40 -0.17 0.00 0.37 0.00 0.00 40.66 41.13 3kk9 h LEU 202 CO -0.07 -0.50 -0.33 0.00 -0.34 0.00 0.00 178.44 177.20 3kk9 n TYR 203 N -4.84 0.15 0.06 1.25 4.19 0.01 -0.46 117.16 117.52 3kk9 n TYR 203 Ca -0.09 1.20 -0.11 0.00 3.31 0.00 0.00 57.90 62.21 3kk9 n TYR 203 Cb 0.35 -0.94 -0.05 0.00 0.49 0.00 0.00 39.34 39.19 3kk9 n TYR 203 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 3kk9 h ILE 204 N 0.00 0.60 -0.94 2.97 2.04 -0.51 -1.96 117.51 119.72 3kk9 h ILE 204 Ca 0.39 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.42 3kk9 h ILE 204 Cb 0.63 0.60 -0.10 0.00 -0.74 0.00 0.00 36.82 37.21 3kk9 h ILE 204 CO -0.98 0.00 0.53 -0.07 0.00 0.00 0.00 178.15 177.63 3kk9 h LEU 205 N -0.28 0.67 -1.00 1.44 3.38 0.27 2.12 115.31 121.92 3kk9 h LEU 205 Ca 0.05 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3kk9 h LEU 205 Cb 0.34 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3kk9 h LEU 205 CO -0.15 0.26 -0.21 -0.07 0.09 0.00 0.00 178.44 178.36 3kk9 h LEU 206 N 0.71 0.00 0.00 1.67 3.38 -0.10 -0.70 115.31 120.27 3kk9 h LEU 206 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.50 3kk9 h LEU 206 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3kk9 h LEU 206 CO -0.37 0.21 0.00 1.33 0.09 0.00 0.00 178.44 179.69 3kk9 n VAL 207 N -3.32 0.00 -0.70 1.22 0.24 -0.68 -4.62 118.33 110.47 3kk9 n VAL 207 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 3kk9 n VAL 207 Cb 0.44 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 3kk9 n VAL 207 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kk9 n GLY 208 N 0.00 0.67 3.10 7.63 0.00 0.71 -4.76 105.19 112.53 3kk9 n GLY 208 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3kk9 n GLY 208 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kk9 s TYR 209 N -2.10 0.28 0.59 1.61 -0.85 -1.26 -5.01 117.35 110.61 3kk9 s TYR 209 Ca 0.00 -0.64 -0.14 0.00 -0.52 0.00 0.00 57.07 55.78 3kk9 s TYR 209 Cb 0.00 -0.20 -0.05 0.00 0.38 0.00 0.00 41.96 42.10 3kk9 s TYR 209 CO 0.00 -0.36 1.02 -2.14 -1.52 0.00 0.00 175.55 172.55 3kk9 s PRO 210 N -2.85 3.60 0.12 -3.49 0.02 -1.26 -4.05 135.00 127.10 3kk9 s PRO 210 Ca -0.03 0.91 -0.12 0.00 0.02 0.00 0.00 61.00 61.77 3kk9 s PRO 210 Cb 0.00 -2.08 -0.08 0.00 0.02 0.00 0.00 34.50 32.36 3kk9 s PRO 210 CO -0.06 -0.56 1.42 -1.35 -0.33 0.00 0.00 177.00 176.12 3kk9 h PRO 211 N 0.16 0.85 -6.46 5.54 0.11 -1.93 -3.43 132.00 126.85 3kk9 h PRO 211 Ca -0.45 -0.50 -0.69 0.00 0.11 0.00 0.00 66.00 64.46 3kk9 h PRO 211 Cb 1.19 0.04 -0.24 0.00 0.11 0.00 0.00 31.00 32.10 3kk9 h PRO 211 CO 0.61 1.14 -0.81 -0.06 -0.21 0.00 0.00 178.00 178.67 3kk9 s PHE 212 N -4.24 2.58 0.04 0.65 0.40 -1.26 -4.57 117.98 111.58 3kk9 s PHE 212 Ca -0.11 -0.25 -0.28 0.00 -0.60 0.00 0.00 56.93 55.69 3kk9 s PHE 212 Cb 0.10 -1.56 0.09 0.00 0.51 0.00 0.00 43.02 42.17 3kk9 s PHE 212 CO 0.87 0.16 1.01 -0.46 0.70 0.00 0.00 175.22 177.51 3kk9 s TRP 213 N -0.76 -0.19 0.00 0.36 -0.00 -1.26 -4.95 118.94 112.14 3kk9 s TRP 213 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.10 56.22 3kk9 s TRP 213 Cb -0.10 0.58 0.00 0.00 -0.00 0.00 0.00 33.47 33.94 3kk9 s TRP 213 CO 0.01 -0.58 0.00 -3.47 -0.00 0.00 0.00 176.95 172.92 3kk9 n ASP 214 N -0.36 0.00 -0.10 5.86 -0.08 -1.26 -4.77 116.55 115.85 3kk9 n ASP 214 Ca -0.07 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.36 3kk9 n ASP 214 Cb 0.61 0.00 0.75 0.00 2.34 0.00 0.00 41.12 44.82 3kk9 n ASP 214 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3kk9 n GLU 215 N -0.91 0.88 -3.74 -0.67 1.02 -1.26 -4.55 120.64 111.41 3kk9 n GLU 215 Ca 0.00 -0.20 -0.37 0.00 -0.02 0.00 0.00 57.16 56.57 3kk9 n GLU 215 Cb 0.00 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.80 3kk9 n GLU 215 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kk9 s ASP 216 N -2.26 5.18 0.09 1.62 -1.08 -1.26 -5.01 116.67 113.96 3kk9 s ASP 216 Ca 0.37 -0.25 -0.17 0.00 -0.52 0.00 0.00 52.55 51.99 3kk9 s ASP 216 Cb 0.21 -1.93 -0.07 0.00 -1.46 0.00 0.00 42.92 39.66 3kk9 s ASP 216 CO 0.42 -0.05 1.49 -0.61 0.52 0.00 0.00 175.17 176.93 3kk9 h GLN 217 N 8.25 0.56 -0.09 4.34 4.15 -1.98 0.33 115.11 130.67 3kk9 h GLN 217 Ca -0.38 -0.22 0.02 0.00 0.77 0.00 0.00 58.65 58.85 3kk9 h GLN 217 Cb 1.17 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.78 3kk9 h GLN 217 CO 0.58 0.76 -0.41 0.45 -1.93 0.00 0.00 178.83 178.28 3kk9 h HIS 218 N 0.32 -1.21 -0.07 3.99 3.86 -1.97 0.92 115.15 120.99 3kk9 h HIS 218 Ca 0.07 0.05 0.04 0.00 -1.16 0.00 0.00 60.37 59.36 3kk9 h HIS 218 Cb 0.56 0.54 -0.04 0.00 1.06 0.00 0.00 27.41 29.52 3kk9 h HIS 218 CO 0.05 -0.41 -0.18 0.00 0.86 0.00 0.00 177.93 178.25 3kk9 h ARG 219 N -0.44 -0.24 -0.88 2.45 3.08 -1.97 0.66 114.38 117.03 3kk9 h ARG 219 Ca 0.02 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.20 3kk9 h ARG 219 Cb 0.51 0.06 -0.13 0.00 0.08 0.00 0.00 29.97 30.49 3kk9 h ARG 219 CO -0.32 -0.16 -0.48 1.25 -1.07 0.00 0.00 179.97 179.19 3kk9 h LEU 220 N -0.25 -1.73 -0.73 3.04 5.85 0.07 0.12 115.31 121.68 3kk9 h LEU 220 Ca 0.08 0.30 -0.10 0.00 0.84 0.00 0.00 57.88 59.00 3kk9 h LEU 220 Cb 0.36 0.81 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3kk9 h LEU 220 CO -0.22 -0.28 -0.09 1.88 -0.34 0.00 0.00 178.44 179.39 3kk9 h TYR 221 N -0.07 0.97 -0.38 1.25 0.05 0.18 -1.60 116.97 117.37 3kk9 h TYR 221 Ca 0.23 -0.18 0.06 0.00 0.05 0.00 0.00 58.73 58.90 3kk9 h TYR 221 Cb 0.52 -0.25 -0.06 0.00 1.01 0.00 0.00 36.73 37.96 3kk9 h TYR 221 CO -0.89 0.92 0.04 0.00 -1.05 0.00 0.00 178.16 177.18 3kk9 h ALA 222 N 1.10 0.39 -0.52 3.88 0.00 0.15 -0.96 119.26 123.28 3kk9 h ALA 222 Ca 0.13 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3kk9 h ALA 222 Cb 0.60 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3kk9 h ALA 222 CO 0.04 -0.36 0.30 1.96 0.00 0.00 0.00 179.25 181.19 3kk9 h GLN 223 N 0.15 0.73 0.61 0.00 4.20 -0.37 0.16 115.11 120.59 3kk9 h GLN 223 Ca 0.19 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 3kk9 h GLN 223 Cb 0.24 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3kk9 h GLN 223 CO -0.28 0.55 -0.33 0.82 -0.67 0.00 0.00 178.83 178.93 3kk9 h ILE 224 N 0.70 0.33 -0.52 2.54 2.04 -0.92 0.47 117.51 122.15 3kk9 h ILE 224 Ca 0.19 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.08 3kk9 h ILE 224 Cb 0.03 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3kk9 h ILE 224 CO -0.03 0.00 0.35 0.11 0.00 0.00 0.00 178.15 178.58 3kk9 h LYS 225 N -0.87 0.59 -0.44 2.37 1.57 -1.12 -0.91 116.57 117.77 3kk9 h LYS 225 Ca -0.08 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 3kk9 h LYS 225 Cb 0.68 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 3kk9 h LYS 225 CO 0.11 0.39 -0.06 0.00 -0.57 0.00 0.00 179.45 179.32 3kk9 h ALA 226 N 1.69 1.07 -0.11 3.86 0.00 -0.24 -3.47 119.26 122.06 3kk9 h ALA 226 Ca 0.21 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kk9 h ALA 226 Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kk9 h ALA 226 CO -0.05 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.18 3kk9 n GLY 227 N -0.56 1.24 3.42 0.00 0.00 0.54 -5.02 105.19 104.82 3kk9 n GLY 227 Ca 0.02 -0.33 -0.45 0.00 0.00 0.00 0.00 46.02 45.26 3kk9 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kk9 s ALA 228 N -2.11 3.73 0.35 4.61 0.00 0.13 -4.93 121.76 123.54 3kk9 s ALA 228 Ca 0.00 -3.07 0.03 0.00 0.00 0.00 0.00 51.96 48.93 3kk9 s ALA 228 Cb 0.00 -3.92 -0.01 0.00 0.00 0.00 0.00 23.12 19.19 3kk9 s ALA 228 CO 0.00 -2.74 0.39 1.52 0.00 0.00 0.00 175.76 174.92 3kk9 s TYR 229 N 1.68 1.47 0.00 0.00 1.13 -1.26 -4.74 117.35 115.63 3kk9 s TYR 229 Ca 0.31 -1.52 0.00 0.00 -1.41 0.00 0.00 57.07 54.45 3kk9 s TYR 229 Cb -0.06 -0.42 0.00 0.00 -1.10 0.00 0.00 41.96 40.38 3kk9 s TYR 229 CO -0.08 -1.03 0.00 -0.40 -2.51 0.00 0.00 175.55 171.54 3kk9 n ASP 230 N -1.59 0.00 -3.67 -0.18 5.68 -1.26 -5.10 116.55 110.42 3kk9 n ASP 230 Ca 0.05 -0.34 -0.28 0.00 -0.50 0.00 0.00 54.79 53.72 3kk9 n ASP 230 Cb 0.62 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.49 3kk9 n ASP 230 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 3kk9 s TYR 231 N -4.95 2.44 0.43 2.11 4.12 -1.26 -5.03 117.35 115.21 3kk9 s TYR 231 Ca 0.00 -2.88 -0.26 0.00 0.02 0.00 0.00 57.07 53.95 3kk9 s TYR 231 Cb 0.00 -1.89 -0.09 0.00 -1.52 0.00 0.00 41.96 38.46 3kk9 s TYR 231 CO 0.00 -0.67 1.47 -2.14 0.02 0.00 0.00 175.55 174.22 3kk9 s PRO 232 N -0.77 3.83 0.46 -1.71 0.02 -1.26 -4.75 135.00 130.82 3kk9 s PRO 232 Ca 0.28 2.51 -0.08 0.00 0.02 0.00 0.00 61.00 63.74 3kk9 s PRO 232 Cb -0.01 -2.77 -0.05 0.00 0.02 0.00 0.00 34.50 31.69 3kk9 s PRO 232 CO -0.18 -0.74 0.80 -1.12 -0.33 0.00 0.00 177.00 175.43 3kk9 s SER 233 N -0.34 6.37 -0.01 2.53 0.01 -1.26 -2.63 113.70 118.37 3kk9 s SER 233 Ca 0.58 1.05 0.12 0.00 1.31 0.00 0.00 55.95 59.02 3kk9 s SER 233 Cb -0.45 -2.30 -0.21 0.00 0.21 0.00 0.00 66.02 63.27 3kk9 s SER 233 CO 0.60 -0.52 0.76 -0.65 0.41 0.00 0.00 173.24 173.83 3kk9 h PRO 234 N 0.62 0.00 -0.03 12.44 0.11 -2.03 -3.47 132.00 139.65 3kk9 h PRO 234 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kk9 h PRO 234 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kk9 h PRO 234 CO 0.63 0.52 -0.02 -0.85 -0.21 0.00 0.00 178.00 178.07 3kk9 n GLU 235 N -3.06 -0.01 0.00 1.05 0.00 -1.26 0.17 120.64 117.52 3kk9 n GLU 235 Ca -0.14 0.47 0.00 0.00 0.00 0.00 0.00 57.16 57.49 3kk9 n GLU 235 Cb 1.01 -0.71 0.02 0.00 0.00 0.00 0.00 31.44 31.76 3kk9 n GLU 235 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 3kk9 n TRP 236 N -2.59 0.00 0.10 -1.84 7.02 -1.08 -3.01 117.44 116.04 3kk9 n TRP 236 Ca 0.00 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.29 3kk9 n TRP 236 Cb 0.01 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 28.75 3kk9 n TRP 236 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3kk9 h ASP 237 N 0.00 0.54 -0.08 -0.99 3.32 0.14 -3.28 116.42 116.07 3kk9 h ASP 237 Ca 0.00 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.41 3kk9 h ASP 237 Cb 0.00 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3kk9 h ASP 237 CO 0.00 1.52 0.00 0.35 -1.72 0.00 0.00 179.24 179.39 3kk9 n THR 238 N -3.56 0.08 -2.72 0.35 -2.24 -1.16 -4.87 114.28 100.15 3kk9 n THR 238 Ca -0.15 -0.36 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 3kk9 n THR 238 Cb 1.06 0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 69.97 3kk9 n THR 238 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kk9 s VAL 239 N -1.92 4.60 1.11 2.28 1.01 -1.24 -5.04 120.40 121.20 3kk9 s VAL 239 Ca 0.35 2.07 -0.12 0.00 0.00 0.00 0.00 61.98 64.27 3kk9 s VAL 239 Cb 0.20 -4.32 0.25 0.00 0.00 0.00 0.00 36.38 32.51 3kk9 s VAL 239 CO 0.31 0.27 1.05 0.42 0.00 0.00 0.00 175.10 177.16 3kk9 s THR 240 N 0.27 2.06 0.08 3.92 -4.23 -1.26 -4.95 115.64 111.53 3kk9 s THR 240 Ca 0.48 0.02 -0.08 0.00 -1.18 0.00 0.00 61.69 60.93 3kk9 s THR 240 Cb -0.23 -2.15 -0.26 0.00 1.34 0.00 0.00 72.50 71.20 3kk9 s THR 240 CO 0.29 -0.02 1.16 -0.65 -0.54 0.00 0.00 174.62 174.86 3kk9 h PRO 241 N -2.43 0.44 0.00 3.99 0.11 -1.98 -3.22 132.00 128.91 3kk9 h PRO 241 Ca -0.59 -0.61 -0.00 0.00 0.11 0.00 0.00 66.00 64.91 3kk9 h PRO 241 Cb 1.33 0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.64 3kk9 h PRO 241 CO 0.51 1.26 -0.00 0.93 -0.21 0.00 0.00 178.00 180.48 3kk9 h GLU 242 N 0.19 0.00 0.17 1.05 3.07 -1.98 0.51 114.58 117.57 3kk9 h GLU 242 Ca -0.15 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.37 3kk9 h GLU 242 Cb 1.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.78 3kk9 h GLU 242 CO 0.21 0.00 -1.73 0.00 -1.40 0.00 0.00 179.01 176.09 3kk9 h ALA 243 N 2.00 0.21 0.35 3.43 0.00 -1.94 -3.22 119.26 120.09 3kk9 h ALA 243 Ca -0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 54.91 53.73 3kk9 h ALA 243 Cb 0.06 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kk9 h ALA 243 CO 0.00 1.08 -0.17 0.87 0.00 0.00 0.00 179.25 181.03 3kk9 h LYS 244 N 0.10 -0.46 -0.94 0.00 1.57 -1.13 -2.71 116.57 113.00 3kk9 h LYS 244 Ca -0.33 0.03 0.24 0.00 -1.87 0.00 0.00 60.65 58.72 3kk9 h LYS 244 Cb 2.08 0.10 -0.17 0.00 0.08 0.00 0.00 32.23 34.32 3kk9 h LYS 244 CO 0.17 -0.17 -0.00 1.03 -0.57 0.00 0.00 179.45 179.90 3kk9 h SER 245 N -1.01 -0.49 -0.29 0.86 0.87 -0.26 0.32 113.55 113.55 3kk9 h SER 245 Ca -0.05 0.26 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3kk9 h SER 245 Cb 0.50 0.47 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 3kk9 h SER 245 CO 0.08 -0.31 0.17 0.25 -0.53 0.00 0.00 176.83 176.49 3kk9 h LEU 246 N 0.03 0.28 -1.41 2.23 5.85 -1.59 -1.50 115.31 119.19 3kk9 h LEU 246 Ca 0.54 0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.38 3kk9 h LEU 246 Cb 1.06 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 3kk9 h LEU 246 CO -0.87 0.20 0.51 0.40 -0.34 0.00 0.00 178.44 178.33 3kk9 h ILE 247 N 0.35 0.91 0.75 4.05 2.04 -0.11 -1.96 117.51 123.53 3kk9 h ILE 247 Ca 0.11 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 3kk9 h ILE 247 Cb -0.00 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 36.30 3kk9 h ILE 247 CO -0.05 0.12 -0.36 0.44 0.00 0.00 0.00 178.15 178.29 3kk9 h ASP 248 N 0.63 -0.85 -0.26 1.72 3.32 -0.11 0.18 116.42 121.06 3kk9 h ASP 248 Ca 0.36 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.50 3kk9 h ASP 248 Cb 0.55 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3kk9 h ASP 248 CO -0.14 -0.58 0.20 0.77 -1.72 0.00 0.00 179.24 177.77 3kk9 h SER 249 N -1.05 0.00 0.00 6.45 4.64 -0.60 -0.98 113.55 122.01 3kk9 h SER 249 Ca -0.10 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3kk9 h SER 249 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3kk9 h SER 249 CO 0.17 0.00 -0.00 0.24 -0.87 0.00 0.00 176.83 176.37 3kk9 h MET 250 N 0.00 0.00 -3.08 4.77 2.86 -1.34 -2.19 114.93 115.95 3kk9 h MET 250 Ca 0.12 -0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 57.08 3kk9 h MET 250 Cb 0.52 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.20 3kk9 h MET 250 CO -0.00 0.99 3.77 1.28 1.06 0.00 0.00 176.91 184.01 3kk9 n LEU 251 N -4.61 8.59 -4.47 1.22 4.77 0.62 -4.21 117.00 118.91 3kk9 n LEU 251 Ca -0.10 -4.36 -0.36 0.00 -0.03 0.00 0.00 56.01 51.16 3kk9 n LEU 251 Cb 0.48 -1.56 -0.12 0.00 -2.33 0.00 0.00 43.42 39.88 3kk9 n LEU 251 CO 0.34 1.99 -0.28 -0.89 -1.33 0.00 0.00 177.39 177.22 3kk9 s THR 252 N 2.18 4.34 0.16 -5.08 2.01 -0.92 -4.74 115.64 113.58 3kk9 s THR 252 Ca 0.67 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 62.38 3kk9 s THR 252 Cb 0.18 -3.02 0.04 0.00 0.01 0.00 0.00 72.50 69.71 3kk9 s THR 252 CO -0.06 0.36 1.66 0.58 -0.69 0.00 0.00 174.62 176.46 3kk9 h VAL 253 N 5.47 1.24 -2.67 3.82 2.07 -1.90 -3.37 116.25 120.91 3kk9 h VAL 253 Ca -0.38 -0.87 -0.54 0.00 0.82 0.00 0.00 66.70 65.73 3kk9 h VAL 253 Cb 1.18 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 3kk9 h VAL 253 CO 0.59 0.32 1.12 0.21 0.02 0.00 0.00 177.57 179.83 3kk9 s ASN 254 N -6.19 6.05 0.52 0.57 3.84 -1.26 -4.63 114.94 113.83 3kk9 s ASN 254 Ca -0.13 0.19 0.19 0.00 0.21 0.00 0.00 52.86 53.32 3kk9 s ASN 254 Cb 0.12 -2.55 1.30 0.00 -0.55 0.00 0.00 41.25 39.57 3kk9 s ASN 254 CO 0.80 -1.79 2.08 -0.65 -2.79 0.00 0.00 177.10 174.74 3kk9 h PRO 255 N 11.30 0.04 -0.17 0.43 0.11 -1.95 0.22 132.00 141.97 3kk9 h PRO 255 Ca -0.27 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 3kk9 h PRO 255 Cb 1.09 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3kk9 h PRO 255 CO 1.20 0.02 -0.07 0.87 -0.21 0.00 0.00 178.00 179.81 3kk9 h LYS 256 N 0.04 0.26 -0.01 1.05 1.79 -1.93 -2.60 116.57 115.17 3kk9 h LYS 256 Ca 0.12 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3kk9 h LYS 256 Cb 0.43 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 3kk9 h LYS 256 CO -0.01 0.35 -0.54 1.63 -1.08 0.00 0.00 179.45 179.80 3kk9 n LYS 257 N -4.32 0.98 -2.27 3.15 5.02 0.64 -4.94 118.16 116.42 3kk9 n LYS 257 Ca -0.00 -0.80 -0.38 0.00 -2.02 0.00 0.00 58.31 55.11 3kk9 n LYS 257 Cb 0.23 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 3kk9 n LYS 257 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3kk9 s ARG 258 N -2.57 4.00 0.66 1.97 3.52 -0.32 -5.00 118.95 121.21 3kk9 s ARG 258 Ca 0.17 1.85 -0.14 0.00 -0.13 0.00 0.00 55.73 57.48 3kk9 s ARG 258 Cb 0.18 -2.64 0.00 0.00 -1.56 0.00 0.00 34.95 30.93 3kk9 s ARG 258 CO 0.62 -0.37 1.09 -1.50 -0.81 0.00 0.00 175.30 174.33 3kk9 s ILE 259 N -1.42 3.43 0.37 4.11 2.07 -0.82 -4.99 121.20 123.94 3kk9 s ILE 259 Ca 0.58 0.62 0.01 0.00 -1.41 0.00 0.00 60.65 60.46 3kk9 s ILE 259 Cb -0.31 -3.15 -0.02 0.00 0.13 0.00 0.00 42.46 39.11 3kk9 s ILE 259 CO 0.39 -0.46 0.57 0.42 -1.91 0.00 0.00 174.94 173.95 3kk9 s THR 260 N -2.50 4.69 0.16 4.00 -4.23 -1.26 -4.90 115.64 111.61 3kk9 s THR 260 Ca 0.65 -0.55 -0.16 0.00 -1.18 0.00 0.00 61.69 60.45 3kk9 s THR 260 Cb -0.19 -3.71 0.02 0.00 1.34 0.00 0.00 72.50 69.97 3kk9 s THR 260 CO 0.44 -0.44 1.81 0.00 -0.54 0.00 0.00 174.62 175.88 3kk9 h ALA 261 N 0.68 0.53 -0.60 3.99 0.00 -1.97 0.76 119.26 122.66 3kk9 h ALA 261 Ca -0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3kk9 h ALA 261 Cb 1.23 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3kk9 h ALA 261 CO 0.59 -0.04 0.35 -0.44 0.00 0.00 0.00 179.25 179.71 3kk9 h ASP 262 N 0.54 0.72 -0.07 0.00 3.32 -1.93 -0.26 116.42 118.74 3kk9 h ASP 262 Ca 0.16 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3kk9 h ASP 262 Cb -0.03 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 3kk9 h ASP 262 CO -0.05 0.58 0.04 1.56 -1.72 0.00 0.00 179.24 179.65 3kk9 h GLN 263 N 0.81 0.09 0.00 3.56 4.20 -1.90 -2.88 115.11 118.98 3kk9 h GLN 263 Ca 0.21 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 3kk9 h GLN 263 Cb -0.00 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 3kk9 h GLN 263 CO -0.04 0.06 -0.05 0.00 -0.67 0.00 0.00 178.83 178.13 3kk9 h ALA 264 N 1.03 1.66 -0.02 3.87 0.00 -0.30 0.33 119.26 125.82 3kk9 h ALA 264 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kk9 h ALA 264 Cb -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kk9 h ALA 264 CO -0.01 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.58 3kk9 n LEU 265 N -4.11 0.12 -0.10 0.00 4.77 -0.16 -2.58 117.00 114.94 3kk9 n LEU 265 Ca -0.03 -0.06 0.01 0.00 -0.03 0.00 0.00 56.01 55.90 3kk9 n LEU 265 Cb 0.14 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3kk9 n LEU 265 CO 0.31 0.03 0.44 0.29 -1.33 0.00 0.00 177.39 177.13 3kk9 n LYS 266 N -0.44 1.69 -2.91 3.23 5.02 0.10 -4.84 118.16 120.02 3kk9 n LYS 266 Ca 0.01 -1.26 -0.40 0.00 -2.02 0.00 0.00 58.31 54.63 3kk9 n LYS 266 Cb 0.02 -1.04 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 3kk9 n LYS 266 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kk9 s VAL 267 N -0.71 4.84 0.53 -0.18 1.01 -1.07 -4.70 120.40 120.13 3kk9 s VAL 267 Ca 0.04 1.73 0.21 0.00 0.00 0.00 0.00 61.98 63.95 3kk9 s VAL 267 Cb 0.02 -4.16 0.33 0.00 0.00 0.00 0.00 36.38 32.56 3kk9 s VAL 267 CO 0.03 0.27 2.09 -0.65 0.00 0.00 0.00 175.10 176.84 3kk9 h PRO 268 N 6.27 0.00 0.00 2.72 0.11 -1.95 0.48 132.00 139.64 3kk9 h PRO 268 Ca -0.42 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kk9 h PRO 268 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kk9 h PRO 268 CO 0.73 0.00 -0.02 2.35 -0.21 0.00 0.00 178.00 180.86 3kk9 h TRP 269 N 0.00 0.00 0.07 0.65 7.01 -1.91 2.48 115.95 124.26 3kk9 h TRP 269 Ca 0.11 0.00 -0.35 0.00 2.11 0.00 0.00 58.89 60.76 3kk9 h TRP 269 Cb 0.44 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.46 3kk9 h TRP 269 CO 0.00 0.02 -1.94 -0.89 -2.79 0.00 0.00 178.44 172.84 3kk9 n ILE 270 N -3.28 1.67 -0.07 2.65 2.08 0.15 -4.66 119.36 117.89 3kk9 n ILE 270 Ca -0.02 -0.48 -0.13 0.00 0.56 0.00 0.00 62.75 62.68 3kk9 n ILE 270 Cb 0.13 -1.77 -0.11 0.00 -0.75 0.00 0.00 39.64 37.14 3kk9 n ILE 270 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kk9 n ASN 272 N -4.60 0.00 0.00 0.00 5.03 0.83 -5.03 115.26 111.49 3kk9 n ASN 272 Ca -0.12 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.33 3kk9 n ASN 272 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.20 3kk9 n ASN 272 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kk9 n ALA 279 N -3.00 0.00 -2.15 5.41 0.00 -1.26 -4.86 120.51 114.65 3kk9 n ALA 279 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3kk9 n ALA 279 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3kk9 n ALA 279 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3kk9 s ILE 280 N 0.00 4.67 0.26 0.00 -4.36 -1.26 -5.09 121.20 115.42 3kk9 s ILE 280 Ca 0.00 0.98 0.02 0.00 -0.26 0.00 0.00 60.65 61.40 3kk9 s ILE 280 Cb 0.00 -3.65 -0.04 0.00 1.25 0.00 0.00 42.46 40.02 3kk9 s ILE 280 CO 0.00 -0.11 0.17 -1.38 0.24 0.00 0.00 174.94 173.86 3kk9 s HIS 281 N -1.89 1.44 -0.40 1.37 -3.43 -1.26 -5.12 115.29 106.00 3kk9 s HIS 281 Ca 0.52 -1.43 -0.23 0.00 -0.80 0.00 0.00 55.06 53.11 3kk9 s HIS 281 Cb -0.11 -0.70 0.02 0.00 -1.43 0.00 0.00 32.58 30.35 3kk9 s HIS 281 CO 0.18 -0.64 0.80 1.03 -2.00 0.00 0.00 174.74 174.11 3kk9 s ARG 282 N -3.89 3.63 -0.09 -0.38 0.52 -1.26 -5.04 118.95 112.44 3kk9 s ARG 282 Ca 0.38 0.18 -0.13 0.00 -0.52 0.00 0.00 55.73 55.64 3kk9 s ARG 282 Cb 0.05 -3.86 -0.05 0.00 0.52 0.00 0.00 34.95 31.62 3kk9 s ARG 282 CO 0.17 -0.97 0.32 -0.65 0.02 0.00 0.00 175.30 174.20 3kk9 s GLN 283 N 3.23 3.99 0.00 3.54 -0.21 -1.26 -5.06 119.66 123.89 3kk9 s GLN 283 Ca 0.32 0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.90 3kk9 s GLN 283 Cb -0.13 -3.31 0.00 0.00 1.00 0.00 0.00 33.01 30.58 3kk9 s GLN 283 CO 0.20 0.50 0.00 -0.25 -2.12 0.00 0.00 175.29 173.61 3kk9 n ASP 284 N 2.65 0.00 -3.49 5.90 8.00 -1.26 -5.25 116.55 123.09 3kk9 n ASP 284 Ca -0.14 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.37 3kk9 n ASP 284 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 3kk9 n ASP 284 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kk9 s VAL 286 N 0.00 -0.86 -0.04 2.53 1.01 -1.26 -5.28 120.40 116.51 3kk9 s VAL 286 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.05 3kk9 s VAL 286 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3kk9 s VAL 286 CO 0.00 0.00 -0.24 -0.62 0.00 0.00 0.00 175.10 174.24 3kk9 s ASP 287 N 2.80 3.21 0.00 3.32 2.15 -1.26 -5.45 116.67 121.44 3kk9 s ASP 287 Ca -0.00 -0.44 0.00 0.00 0.43 0.00 0.00 52.55 52.53 3kk9 s ASP 287 Cb -0.11 -0.58 0.00 0.00 -0.30 0.00 0.00 42.92 41.93 3kk9 s ASP 287 CO -0.19 0.30 0.42 0.00 -0.17 0.00 0.00 175.17 175.53