#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ykr n GLU 2 N 0.00 0.08 0.00 2.12 0.00 -1.26 -2.08 120.64 119.50 1ykr n GLU 2 Ca 0.00 0.29 0.12 0.00 0.00 0.00 0.00 57.16 57.57 1ykr n GLU 2 Cb 0.00 -1.65 0.63 0.00 0.00 0.00 0.00 31.44 30.42 1ykr n GLU 2 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1ykr n ASN 3 N -1.80 0.00 -4.33 -1.84 3.02 -1.26 -4.77 115.26 104.27 1ykr n ASN 3 Ca 0.03 -0.15 -0.30 0.00 -0.03 0.00 0.00 54.58 54.14 1ykr n ASN 3 Cb 0.22 -0.25 -0.15 0.00 -0.61 0.00 0.00 39.78 38.99 1ykr n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1ykr s PHE 4 N -2.50 2.27 -0.23 3.10 0.08 -0.89 -0.37 117.98 119.45 1ykr s PHE 4 Ca 0.25 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.91 1ykr s PHE 4 Cb 0.16 -1.37 0.05 0.00 -0.57 0.00 0.00 43.02 41.29 1ykr s PHE 4 CO 0.36 0.11 -0.14 -1.14 -0.10 0.00 0.00 175.22 174.31 1ykr s GLN 5 N -1.19 2.50 0.16 0.44 0.74 -0.36 -4.91 119.66 117.03 1ykr s GLN 5 Ca 0.11 -1.17 -0.31 0.00 0.05 0.00 0.00 55.36 54.04 1ykr s GLN 5 Cb -0.10 -2.78 -0.09 0.00 1.10 0.00 0.00 33.01 31.15 1ykr s GLN 5 CO 0.02 -0.45 1.40 0.15 -0.55 0.00 0.00 175.29 175.86 1ykr s LYS 6 N 1.17 4.32 -0.15 1.67 1.02 -1.26 0.16 119.74 126.67 1ykr s LYS 6 Ca -0.04 2.13 0.15 0.00 0.02 0.00 0.00 55.97 58.23 1ykr s LYS 6 Cb -0.18 -3.21 -0.21 0.00 -0.52 0.00 0.00 37.83 33.71 1ykr s LYS 6 CO -0.08 -0.41 0.09 1.33 -0.92 0.00 0.00 175.35 175.36 1ykr n VAL 7 N 3.46 1.05 -3.64 3.17 0.24 -1.18 -4.87 118.33 116.57 1ykr n VAL 7 Ca 0.10 -0.68 -0.04 0.00 -2.04 0.00 0.00 64.34 61.67 1ykr n VAL 7 Cb 0.42 -0.50 -0.06 0.00 -1.47 0.00 0.00 33.84 32.23 1ykr n VAL 7 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1ykr s GLU 8 N -2.47 0.19 -0.06 7.34 -1.05 -1.26 -4.98 118.70 116.40 1ykr s GLU 8 Ca -0.08 0.14 -0.30 0.00 -0.15 0.00 0.00 54.97 54.58 1ykr s GLU 8 Cb 0.05 0.09 -0.03 0.00 -0.44 0.00 0.00 34.13 33.81 1ykr s GLU 8 CO 0.69 -0.04 1.14 0.21 0.95 0.00 0.00 175.26 178.21 1ykr s LYS 9 N -0.41 4.38 -0.01 -4.83 2.20 -1.26 -0.32 119.74 119.49 1ykr s LYS 9 Ca 0.06 1.59 0.09 0.00 -0.36 0.00 0.00 55.97 57.36 1ykr s LYS 9 Cb -0.03 -3.54 -0.13 0.00 -1.51 0.00 0.00 37.83 32.61 1ykr s LYS 9 CO -0.10 -0.40 0.25 0.44 -0.36 0.00 0.00 175.35 175.19 1ykr n ILE 10 N 4.56 0.00 -3.47 5.43 -5.35 -0.19 -4.93 119.36 115.41 1ykr n ILE 10 Ca 0.10 -0.23 -0.14 0.00 -0.27 0.00 0.00 62.75 62.21 1ykr n ILE 10 Cb 0.47 0.47 -0.04 0.00 -1.74 0.00 0.00 39.64 38.81 1ykr n ILE 10 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1ykr s GLY 11 N -2.76 -0.59 0.02 3.28 0.00 -0.90 -5.01 107.32 101.36 1ykr s GLY 11 Ca -0.02 0.88 0.24 0.00 0.00 0.00 0.00 44.72 45.82 1ykr s GLY 11 CO 0.38 0.50 1.25 1.18 0.00 0.00 0.00 173.10 176.41 1ykr n GLU 12 N 0.15 0.06 -0.56 2.90 4.71 -1.26 -0.75 120.64 125.90 1ykr n GLU 12 Ca -0.17 0.00 0.07 0.00 -0.01 0.00 0.00 57.16 57.05 1ykr n GLU 12 Cb 0.62 -1.53 -0.02 0.00 -1.01 0.00 0.00 31.44 29.50 1ykr n GLU 12 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ykr n GLY 13 N 1.47 -0.69 0.02 0.62 0.00 -1.13 -4.08 105.19 101.41 1ykr n GLY 13 Ca 0.04 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.75 1ykr n GLY 13 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ykr n THR 14 N -1.97 0.23 -0.06 2.61 5.66 -1.26 -4.47 114.28 115.02 1ykr n THR 14 Ca 0.00 -0.53 -0.04 0.00 -3.05 0.00 0.00 64.05 60.43 1ykr n THR 14 Cb 0.56 -0.06 -0.13 0.00 -1.55 0.00 0.00 70.33 69.15 1ykr n THR 14 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1ykr n TYR 15 N -2.30 0.00 -3.04 1.09 4.02 -1.26 -4.21 117.16 111.46 1ykr n TYR 15 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 1ykr n TYR 15 Cb 0.64 -0.72 0.00 0.00 -0.02 0.00 0.00 39.34 39.24 1ykr n TYR 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ykr n GLY 16 N 1.89 -0.67 3.81 2.72 0.00 -1.25 -4.09 105.19 107.60 1ykr n GLY 16 Ca -0.22 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 1ykr n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykr s VAL 17 N -3.00 4.39 -0.17 1.61 1.01 -1.19 -2.84 120.40 120.21 1ykr s VAL 17 Ca 0.00 1.50 0.01 0.00 0.00 0.00 0.00 61.98 63.49 1ykr s VAL 17 Cb 0.00 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1ykr s VAL 17 CO 0.00 -0.14 -0.17 -0.69 0.00 0.00 0.00 175.10 174.10 1ykr s VAL 18 N -1.96 1.85 0.28 2.92 1.01 0.07 -0.82 120.40 123.76 1ykr s VAL 18 Ca 0.56 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.79 1ykr s VAL 18 Cb -0.12 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1ykr s VAL 18 CO 0.17 0.48 0.05 -0.31 0.00 0.00 0.00 175.10 175.49 1ykr s TYR 19 N 1.37 2.77 -0.75 5.22 2.02 0.17 -1.02 117.35 127.12 1ykr s TYR 19 Ca 0.04 -0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 1ykr s TYR 19 Cb -0.13 -1.30 0.35 0.00 -0.40 0.00 0.00 41.96 40.48 1ykr s TYR 19 CO -0.12 0.56 1.49 1.17 -1.57 0.00 0.00 175.55 177.08 1ykr n LYS 20 N -0.98 3.87 -1.15 -0.62 4.81 0.57 -0.63 118.16 124.02 1ykr n LYS 20 Ca -0.06 -4.44 -0.29 0.00 -0.87 0.00 0.00 58.31 52.65 1ykr n LYS 20 Cb 0.59 -2.32 0.18 0.00 0.02 0.00 0.00 35.03 33.50 1ykr n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ykr s ALA 21 N -3.89 0.86 0.02 3.14 0.00 -1.24 -3.08 121.76 117.58 1ykr s ALA 21 Ca 0.46 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.12 1ykr s ALA 21 Cb 0.31 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 1ykr s ALA 21 CO -0.21 -2.91 -0.23 0.50 0.00 0.00 0.00 175.76 172.91 1ykr s ARG 22 N -4.96 1.99 -0.25 0.00 3.52 0.12 -2.23 118.95 117.15 1ykr s ARG 22 Ca 0.66 -1.01 -0.29 0.00 -0.13 0.00 0.00 55.73 54.96 1ykr s ARG 22 Cb -0.19 -2.08 0.01 0.00 -1.56 0.00 0.00 34.95 31.13 1ykr s ARG 22 CO 0.58 0.54 1.09 1.21 -0.81 0.00 0.00 175.30 177.90 1ykr s ASN 23 N -1.14 7.02 0.55 -2.12 3.84 0.79 -1.23 114.94 122.66 1ykr s ASN 23 Ca 0.12 1.32 0.34 0.00 0.21 0.00 0.00 52.86 54.85 1ykr s ASN 23 Cb -0.10 -2.54 1.47 0.00 -0.55 0.00 0.00 41.25 39.53 1ykr s ASN 23 CO 0.02 -0.76 2.03 0.11 -2.79 0.00 0.00 177.10 175.71 1ykr h LYS 24 N 7.80 0.00 0.00 0.43 1.57 -1.04 0.60 116.57 125.93 1ykr h LYS 24 Ca -0.21 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 1ykr h LYS 24 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1ykr h LYS 24 CO 1.00 0.03 -0.75 -0.07 -0.57 0.00 0.00 179.45 179.08 1ykr h LEU 25 N 0.00 0.00 0.00 2.94 3.38 -1.92 -3.40 115.31 116.30 1ykr h LEU 25 Ca -0.00 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.55 1ykr h LEU 25 Cb 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1ykr h LEU 25 CO 0.00 1.05 -1.14 0.71 0.09 0.00 0.00 178.44 179.16 1ykr h THR 26 N -1.00 0.70 0.00 0.22 1.35 -1.95 -3.48 112.91 108.75 1ykr h THR 26 Ca -0.14 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 1ykr h THR 26 Cb 0.82 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 1ykr h THR 26 CO -0.09 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 1ykr n GLY 27 N 1.35 0.77 3.79 5.82 0.00 0.21 -5.03 105.19 112.10 1ykr n GLY 27 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1ykr n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ykr s GLU 28 N -0.33 3.70 -0.10 1.61 2.56 -1.24 -4.62 118.70 120.28 1ykr s GLU 28 Ca 0.00 1.45 -0.13 0.00 0.00 0.00 0.00 54.97 56.29 1ykr s GLU 28 Cb 0.00 -2.11 -0.05 0.00 2.00 0.00 0.00 34.13 33.97 1ykr s GLU 28 CO 0.00 -0.53 0.31 0.08 -0.56 0.00 0.00 175.26 174.56 1ykr s VAL 29 N -1.89 5.25 0.31 3.70 1.01 -1.26 -0.15 120.40 127.38 1ykr s VAL 29 Ca 0.68 0.60 0.02 0.00 0.00 0.00 0.00 61.98 63.28 1ykr s VAL 29 Cb -0.19 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1ykr s VAL 29 CO 0.23 0.48 0.32 0.68 0.00 0.00 0.00 175.10 176.81 1ykr s VAL 30 N -0.25 0.00 -0.32 2.92 -7.23 -0.94 -4.16 120.40 110.43 1ykr s VAL 30 Ca 0.19 -1.86 -0.05 0.00 -1.81 0.00 0.00 61.98 58.45 1ykr s VAL 30 Cb -0.14 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.31 1ykr s VAL 30 CO 0.07 0.00 0.06 0.00 -0.31 0.00 0.00 175.10 174.92 1ykr s ALA 31 N -3.47 2.95 -0.26 1.32 0.00 0.50 -3.61 121.76 119.19 1ykr s ALA 31 Ca 0.37 -1.71 -0.14 0.00 0.00 0.00 0.00 51.96 50.48 1ykr s ALA 31 Cb 0.02 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 1ykr s ALA 31 CO 0.22 -1.25 0.31 -1.17 0.00 0.00 0.00 175.76 173.88 1ykr s LEU 32 N 1.36 4.06 -0.22 0.00 2.96 0.20 -0.57 118.68 126.47 1ykr s LEU 32 Ca -0.02 0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 54.08 1ykr s LEU 32 Cb -0.19 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.15 1ykr s LEU 32 CO 0.01 -0.11 -0.01 -0.75 -1.32 0.00 0.00 176.35 174.18 1ykr s LYS 33 N 1.75 3.51 -0.41 1.98 2.47 0.07 0.41 119.74 129.51 1ykr s LYS 33 Ca 0.13 -0.56 -0.15 0.00 -1.56 0.00 0.00 55.97 53.83 1ykr s LYS 33 Cb -0.15 -3.09 0.03 0.00 -1.46 0.00 0.00 37.83 33.16 1ykr s LYS 33 CO 0.09 -0.12 0.30 0.21 0.16 0.00 0.00 175.35 175.99 1ykr s LYS 34 N 1.33 2.95 -0.39 4.03 2.47 -0.00 -0.59 119.74 129.54 1ykr s LYS 34 Ca 0.04 -1.07 -0.18 0.00 -1.56 0.00 0.00 55.97 53.20 1ykr s LYS 34 Cb -0.15 -3.97 0.01 0.00 -1.46 0.00 0.00 37.83 32.27 1ykr s LYS 34 CO -0.00 -0.78 0.52 0.42 0.16 0.00 0.00 175.35 175.67 1ykr s ILE 35 N 1.66 4.99 0.07 5.43 -1.09 0.66 -3.18 121.20 129.74 1ykr s ILE 35 Ca 0.05 0.09 -0.31 0.00 -2.23 0.00 0.00 60.65 58.25 1ykr s ILE 35 Cb -0.20 -4.04 -0.08 0.00 -1.58 0.00 0.00 42.46 36.56 1ykr s ILE 35 CO 0.09 -0.37 1.60 -0.60 -1.23 0.00 0.00 174.94 174.43 1ykr s ARG 36 N 2.43 4.22 -0.24 2.79 6.06 -1.26 -3.31 118.95 129.64 1ykr s ARG 36 Ca 0.18 2.27 -0.17 0.00 -2.50 0.00 0.00 55.73 55.51 1ykr s ARG 36 Cb -0.16 -3.54 0.07 0.00 0.06 0.00 0.00 34.95 31.39 1ykr s ARG 36 CO 0.15 -0.69 0.61 -0.51 -2.50 0.00 0.00 175.30 172.37 1ykr s LEU 37 N 2.39 -0.57 0.00 -0.88 1.43 -1.26 -4.98 118.68 114.81 1ykr s LEU 37 Ca 0.72 1.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 1ykr s LEU 37 Cb -0.39 2.10 0.00 0.00 0.03 0.00 0.00 46.19 47.93 1ykr s LEU 37 CO 0.31 -0.22 0.00 -0.67 0.23 0.00 0.00 176.35 176.00 1ykr n ASP 38 N 3.67 0.00 0.00 2.29 -0.08 -1.26 -4.46 116.55 116.71 1ykr n ASP 38 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1ykr n ASP 38 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 1ykr n ASP 38 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1ykr n THR 39 N -0.30 0.00 -0.04 5.18 -2.24 -1.26 -2.54 114.28 113.08 1ykr n THR 39 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1ykr n THR 39 Cb 0.00 -1.29 -0.02 0.00 -2.10 0.00 0.00 70.33 66.92 1ykr n THR 39 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ykr n GLU 40 N -2.89 0.34 0.00 -0.78 1.02 -1.26 -3.90 120.64 113.16 1ykr n GLU 40 Ca 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1ykr n GLU 40 Cb 0.48 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 1ykr n GLU 40 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ykr n THR 41 N -4.09 0.42 0.00 2.62 -2.24 -1.26 -4.54 114.28 105.19 1ykr n THR 41 Ca -0.10 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1ykr n THR 41 Cb 0.34 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 1ykr n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ykr n GLU 42 N -1.11 0.00 -1.11 -0.78 1.02 -1.26 -4.98 120.64 112.43 1ykr n GLU 42 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ykr n GLU 42 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1ykr n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ykr n GLY 43 N 0.00 -4.34 2.61 0.62 0.00 -1.05 -4.80 105.19 98.23 1ykr n GLY 43 Ca 0.00 -0.57 -0.47 0.00 0.00 0.00 0.00 46.02 44.98 1ykr n GLY 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ykr n VAL 44 N 0.72 0.00 -1.79 1.61 0.31 -1.26 -4.83 118.33 113.10 1ykr n VAL 44 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1ykr n VAL 44 Cb 0.00 -0.31 -0.01 0.00 -0.91 0.00 0.00 33.84 32.61 1ykr n VAL 44 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1ykr s PRO 45 N 1.84 4.12 0.24 5.55 0.02 -1.26 -4.90 135.00 140.60 1ykr s PRO 45 Ca 0.73 2.58 -0.05 0.00 0.02 0.00 0.00 61.00 64.27 1ykr s PRO 45 Cb -1.03 -3.00 0.37 0.00 0.02 0.00 0.00 34.50 30.85 1ykr s PRO 45 CO 0.55 -0.60 1.81 0.77 -0.33 0.00 0.00 177.00 179.21 1ykr h SER 46 N 4.17 0.64 -0.07 2.53 0.02 -2.00 -2.21 113.55 116.65 1ykr h SER 46 Ca -0.48 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 60.55 1ykr h SER 46 Cb 1.23 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.63 1ykr h SER 46 CO 0.74 0.37 -0.45 0.00 -1.14 0.00 0.00 176.83 176.36 1ykr h THR 47 N 0.77 0.11 -0.78 -2.27 1.03 -1.98 -0.71 112.91 109.08 1ykr h THR 47 Ca 0.38 0.00 0.10 0.00 -0.01 0.00 0.00 66.41 66.88 1ykr h THR 47 Cb 0.34 0.11 -0.05 0.00 -1.07 0.00 0.00 68.15 67.48 1ykr h THR 47 CO -0.24 0.00 0.51 0.00 -0.01 0.00 0.00 175.52 175.78 1ykr h ALA 48 N -0.05 1.78 -0.60 0.00 0.00 -1.68 -1.15 119.26 117.56 1ykr h ALA 48 Ca 0.05 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ykr h ALA 48 Cb 0.66 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1ykr h ALA 48 CO -0.37 0.06 0.37 0.82 0.00 0.00 0.00 179.25 180.13 1ykr h ILE 49 N 0.71 1.07 -0.00 0.00 1.08 -0.56 0.06 117.51 119.87 1ykr h ILE 49 Ca 0.36 -0.25 -0.16 0.00 -0.39 0.00 0.00 64.86 64.42 1ykr h ILE 49 Cb 0.45 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1ykr h ILE 49 CO -0.13 0.13 -0.76 0.03 -0.69 0.00 0.00 178.15 176.73 1ykr h ARG 50 N 0.72 0.04 0.72 2.37 3.08 -0.49 -2.01 114.38 118.82 1ykr h ARG 50 Ca 0.24 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 1ykr h ARG 50 Cb 0.02 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.09 1ykr h ARG 50 CO -0.10 0.78 -0.35 0.93 -1.07 0.00 0.00 179.97 180.17 1ykr h GLU 51 N 0.03 -0.94 -0.96 0.04 4.39 -0.72 -2.69 114.58 113.73 1ykr h GLU 51 Ca -0.01 0.06 0.13 0.00 0.34 0.00 0.00 59.36 59.88 1ykr h GLU 51 Cb 1.34 0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 30.12 1ykr h GLU 51 CO 0.10 -0.60 0.61 0.82 -1.16 0.00 0.00 179.01 178.78 1ykr h ILE 52 N -1.11 0.88 0.00 3.13 5.03 -1.03 0.40 117.51 124.81 1ykr h ILE 52 Ca -0.10 -0.30 0.00 0.00 -0.12 0.00 0.00 64.86 64.34 1ykr h ILE 52 Cb 0.77 -0.06 0.00 0.00 -3.03 0.00 0.00 36.82 34.50 1ykr h ILE 52 CO 0.16 0.16 0.00 0.28 -0.68 0.00 0.00 178.15 178.07 1ykr h SER 53 N 0.87 0.00 1.10 1.72 0.02 -1.17 -0.74 113.55 115.35 1ykr h SER 53 Ca 0.48 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.34 1ykr h SER 53 Cb 0.59 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1ykr h SER 53 CO -0.24 0.00 -0.94 -0.07 -1.14 0.00 0.00 176.83 174.43 1ykr h LEU 54 N 0.00 0.00 -0.30 5.07 -0.00 -0.59 -3.29 115.31 116.20 1ykr h LEU 54 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.82 1ykr h LEU 54 Cb 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.82 1ykr h LEU 54 CO 0.00 0.33 -0.29 -0.07 -0.00 0.00 0.00 178.44 178.41 1ykr h LEU 55 N 0.00 0.00 -1.73 1.67 3.38 -0.93 -2.94 115.31 114.75 1ykr h LEU 55 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1ykr h LEU 55 Cb 1.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1ykr h LEU 55 CO 0.03 0.29 -0.17 0.50 0.09 0.00 0.00 178.44 179.18 1ykr h LYS 56 N 0.00 0.00 0.00 1.13 1.63 -1.54 -2.45 116.57 115.34 1ykr h LYS 56 Ca -0.00 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 1ykr h LYS 56 Cb 1.11 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 1ykr h LYS 56 CO 0.04 0.17 -0.93 0.93 -3.45 0.00 0.00 179.45 176.21 1ykr h GLU 57 N 0.00 0.00 -5.60 1.90 3.07 -1.67 -3.43 114.58 108.85 1ykr h GLU 57 Ca -0.00 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.41 1ykr h GLU 57 Cb 0.37 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.23 1ykr h GLU 57 CO 0.02 0.20 1.43 -1.17 -1.40 0.00 0.00 179.01 178.09 1ykr s LEU 58 N -5.84 3.31 -0.19 1.33 2.96 -0.92 -4.92 118.68 114.40 1ykr s LEU 58 Ca 0.00 -1.89 -0.07 0.00 -0.22 0.00 0.00 54.13 51.95 1ykr s LEU 58 Cb 0.08 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1ykr s LEU 58 CO 0.77 -2.46 0.05 0.20 -1.32 0.00 0.00 176.35 173.60 1ykr s ASN 59 N 5.79 5.45 -0.18 3.68 0.02 -1.26 -4.91 114.94 123.53 1ykr s ASN 59 Ca 0.64 0.01 -0.22 0.00 -1.02 0.00 0.00 52.86 52.26 1ykr s ASN 59 Cb 0.01 -1.94 0.06 0.00 0.02 0.00 0.00 41.25 39.40 1ykr s ASN 59 CO 0.11 0.14 0.58 -2.28 0.02 0.00 0.00 177.10 175.67 1ykr s HIS 60 N 0.59 -0.61 0.64 2.20 2.46 -1.26 -5.04 115.29 114.26 1ykr s HIS 60 Ca 0.03 1.41 0.31 0.00 0.47 0.00 0.00 55.06 57.28 1ykr s HIS 60 Cb -0.13 0.24 1.70 0.00 -0.13 0.00 0.00 32.58 34.26 1ykr s HIS 60 CO 0.01 -0.36 2.00 -1.00 -2.47 0.00 0.00 174.74 172.92 1ykr h PRO 61 N 4.76 0.00 -0.50 2.88 0.13 -1.99 -0.18 132.00 137.10 1ykr h PRO 61 Ca -0.28 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.73 1ykr h PRO 61 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1ykr h PRO 61 CO 0.19 0.00 0.10 0.09 -0.23 0.00 0.00 178.00 178.15 1ykr n ASN 62 N -3.22 4.22 -3.92 1.44 4.13 -1.26 -4.84 115.26 111.80 1ykr n ASN 62 Ca 0.00 -3.22 -0.22 0.00 1.68 0.00 0.00 54.58 52.83 1ykr n ASN 62 Cb 0.39 -0.65 -0.17 0.00 -1.54 0.00 0.00 39.78 37.81 1ykr n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1ykr s ILE 63 N -2.96 0.74 0.15 2.41 1.01 -0.08 -0.80 121.20 121.67 1ykr s ILE 63 Ca 0.49 -0.22 -0.31 0.00 0.00 0.00 0.00 60.65 60.61 1ykr s ILE 63 Cb 0.40 -0.74 -0.11 0.00 0.01 0.00 0.00 42.46 42.02 1ykr s ILE 63 CO 0.10 0.28 1.82 0.52 0.00 0.00 0.00 174.94 177.65 1ykr n VAL 64 N 4.15 0.28 -2.30 2.92 0.31 0.16 -4.51 118.33 119.33 1ykr n VAL 64 Ca -0.22 -0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 63.65 1ykr n VAL 64 Cb 0.51 -2.11 -0.03 0.00 -0.91 0.00 0.00 33.84 31.30 1ykr n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ykr s LYS 65 N 2.37 4.41 -0.53 5.55 2.20 -1.26 -4.93 119.74 127.55 1ykr s LYS 65 Ca 0.80 1.94 -0.19 0.00 -0.36 0.00 0.00 55.97 58.15 1ykr s LYS 65 Cb -0.48 -3.26 0.07 0.00 -1.51 0.00 0.00 37.83 32.65 1ykr s LYS 65 CO 0.36 -0.25 0.67 -1.17 -0.36 0.00 0.00 175.35 174.60 1ykr s LEU 66 N 0.41 4.99 -0.00 5.43 2.96 -1.26 -1.88 118.68 129.33 1ykr s LEU 66 Ca 0.58 -0.99 -0.25 0.00 -0.22 0.00 0.00 54.13 53.25 1ykr s LEU 66 Cb -0.34 -2.44 -0.19 0.00 0.50 0.00 0.00 46.19 43.73 1ykr s LEU 66 CO 0.34 -0.97 1.30 -0.07 -1.32 0.00 0.00 176.35 175.62 1ykr h LEU 67 N 9.88 -0.09 -7.42 -0.68 3.38 -1.01 -3.45 115.31 115.93 1ykr h LEU 67 Ca -0.28 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.29 1ykr h LEU 67 Cb 1.09 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.74 1ykr h LEU 67 CO 1.01 0.32 -0.06 -1.81 0.09 0.00 0.00 178.44 177.98 1ykr s ASP 68 N -5.48 -0.24 -0.24 -0.43 1.01 -1.08 -5.01 116.67 105.20 1ykr s ASP 68 Ca -0.15 -0.33 -0.00 0.00 0.71 0.00 0.00 52.55 52.78 1ykr s ASP 68 Cb 0.02 0.48 0.07 0.00 1.01 0.00 0.00 42.92 44.50 1ykr s ASP 68 CO 0.63 -0.87 -0.01 -0.69 0.21 0.00 0.00 175.17 174.44 1ykr s VAL 69 N -3.81 1.27 -0.24 -1.27 1.01 -1.26 -0.71 120.40 115.39 1ykr s VAL 69 Ca 0.04 -1.14 -0.10 0.00 0.00 0.00 0.00 61.98 60.78 1ykr s VAL 69 Cb 0.02 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1ykr s VAL 69 CO -0.11 -0.21 0.13 -0.63 0.00 0.00 0.00 175.10 174.28 1ykr s ILE 70 N 1.50 5.08 -1.31 2.22 1.01 -0.59 -4.96 121.20 124.15 1ykr s ILE 70 Ca -0.02 0.08 0.13 0.00 0.00 0.00 0.00 60.65 60.83 1ykr s ILE 70 Cb -0.18 -3.37 0.04 0.00 0.01 0.00 0.00 42.46 38.96 1ykr s ILE 70 CO -0.09 0.35 0.79 1.57 0.00 0.00 0.00 174.94 177.56 1ykr n HIS 71 N 4.40 0.00 -0.87 3.97 -0.00 -1.25 -1.11 115.22 120.35 1ykr n HIS 71 Ca -0.15 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.67 1ykr n HIS 71 Cb 0.52 0.00 0.09 0.00 -0.12 0.00 0.00 29.99 30.48 1ykr n HIS 71 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1ykr n THR 72 N 0.14 0.00 -1.24 3.57 -2.24 -1.25 -2.18 114.28 111.07 1ykr n THR 72 Ca 0.06 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 1ykr n THR 72 Cb 0.28 -0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 68.20 1ykr n THR 72 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ykr n GLU 73 N 0.56 -1.40 -2.29 -0.78 2.13 -1.26 -0.30 120.64 117.31 1ykr n GLU 73 Ca -0.00 0.68 -0.20 0.00 0.66 0.00 0.00 57.16 58.30 1ykr n GLU 73 Cb 0.65 -4.83 -0.02 0.00 0.27 0.00 0.00 31.44 27.52 1ykr n GLU 73 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ykr n ASN 74 N -0.28 -5.66 -4.57 4.31 3.02 -0.97 -4.87 115.26 106.25 1ykr n ASN 74 Ca -0.11 0.04 -0.26 0.00 -0.03 0.00 0.00 54.58 54.22 1ykr n ASN 74 Cb 0.40 -4.71 -0.11 0.00 -0.61 0.00 0.00 39.78 34.75 1ykr n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ykr s LYS 75 N -4.85 1.86 -0.20 3.52 1.02 0.59 -4.39 119.74 117.30 1ykr s LYS 75 Ca 0.00 -2.02 0.01 0.00 0.02 0.00 0.00 55.97 53.98 1ykr s LYS 75 Cb 0.00 -1.52 0.03 0.00 -0.52 0.00 0.00 37.83 35.82 1ykr s LYS 75 CO 0.00 -0.02 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.07 1ykr s LEU 76 N -3.64 2.42 -0.07 3.17 0.20 -1.21 -3.86 118.68 115.69 1ykr s LEU 76 Ca 0.34 -0.82 0.05 0.00 0.69 0.00 0.00 54.13 54.39 1ykr s LEU 76 Cb 0.08 -1.48 -0.00 0.00 -0.43 0.00 0.00 46.19 44.35 1ykr s LEU 76 CO 0.17 -0.05 -0.23 -0.31 -0.29 0.00 0.00 176.35 175.64 1ykr s TYR 77 N 1.26 2.36 -0.17 5.38 1.51 -0.27 -0.24 117.35 127.17 1ykr s TYR 77 Ca 0.02 -0.82 -0.02 0.00 -1.01 0.00 0.00 57.07 55.23 1ykr s TYR 77 Cb -0.15 -1.57 -0.01 0.00 -0.11 0.00 0.00 41.96 40.12 1ykr s TYR 77 CO -0.11 -0.30 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.42 1ykr s LEU 78 N 0.11 2.76 -0.36 -1.29 1.43 0.25 -1.54 118.68 120.04 1ykr s LEU 78 Ca -0.11 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.51 1ykr s LEU 78 Cb -0.15 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.42 1ykr s LEU 78 CO 0.06 0.08 0.20 -0.69 0.23 0.00 0.00 176.35 176.23 1ykr s VAL 79 N 0.89 4.71 0.20 -1.59 1.01 0.11 -0.75 120.40 124.97 1ykr s VAL 79 Ca -0.02 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.36 1ykr s VAL 79 Cb -0.15 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1ykr s VAL 79 CO 0.00 -0.15 0.01 -0.36 0.00 0.00 0.00 175.10 174.60 1ykr s PHE 80 N 1.60 2.82 0.38 5.22 0.08 0.27 -0.32 117.98 128.02 1ykr s PHE 80 Ca 0.03 -0.16 -0.27 0.00 0.12 0.00 0.00 56.93 56.65 1ykr s PHE 80 Cb -0.18 -1.34 -0.10 0.00 -0.57 0.00 0.00 43.02 40.83 1ykr s PHE 80 CO 0.07 0.54 1.35 -1.83 -0.10 0.00 0.00 175.22 175.25 1ykr s GLU 81 N -3.12 4.12 0.12 0.44 -1.05 -0.79 -0.37 118.70 118.05 1ykr s GLU 81 Ca 0.28 2.28 -0.23 0.00 -0.15 0.00 0.00 54.97 57.15 1ykr s GLU 81 Cb -0.09 -2.91 -0.07 0.00 -0.44 0.00 0.00 34.13 30.62 1ykr s GLU 81 CO 0.19 -0.41 0.69 0.12 0.95 0.00 0.00 175.26 176.80 1ykr s PHE 82 N -1.19 3.86 0.22 4.83 5.36 -1.26 -4.49 117.98 125.31 1ykr s PHE 82 Ca 0.53 1.48 0.08 0.00 -0.96 0.00 0.00 56.93 58.06 1ykr s PHE 82 Cb -0.41 -2.66 -0.05 0.00 -0.34 0.00 0.00 43.02 39.57 1ykr s PHE 82 CO 0.54 0.53 -0.14 -0.51 -1.46 0.00 0.00 175.22 174.18 1ykr s LEU 83 N -1.07 2.55 0.01 6.12 1.02 -1.26 -5.01 118.68 121.04 1ykr s LEU 83 Ca 0.33 -1.04 0.22 0.00 0.02 0.00 0.00 54.13 53.66 1ykr s LEU 83 Cb -0.21 -0.73 -0.22 0.00 0.02 0.00 0.00 46.19 45.04 1ykr s LEU 83 CO 0.23 -0.16 0.72 1.41 0.02 0.00 0.00 176.35 178.57 1ykr n HIS 84 N -0.43 0.11 -3.78 0.29 8.25 -1.26 -4.99 115.22 113.40 1ykr n HIS 84 Ca -0.07 0.03 -0.13 0.00 -0.26 0.00 0.00 57.72 57.29 1ykr n HIS 84 Cb 0.61 -0.39 -0.10 0.00 1.12 0.00 0.00 29.99 31.22 1ykr n HIS 84 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1ykr s GLN 85 N -3.32 0.50 0.32 -0.41 0.74 -1.25 -5.02 119.66 111.22 1ykr s GLN 85 Ca -0.01 0.04 0.07 0.00 0.05 0.00 0.00 55.36 55.51 1ykr s GLN 85 Cb 0.14 0.22 -0.03 0.00 1.10 0.00 0.00 33.01 34.45 1ykr s GLN 85 CO 0.87 -0.11 0.28 0.16 -0.55 0.00 0.00 175.29 175.94 1ykr s ASP 86 N -0.69 5.35 0.49 6.67 1.47 -1.26 -1.08 116.67 127.62 1ykr s ASP 86 Ca -0.08 -0.44 0.15 0.00 1.18 0.00 0.00 52.55 53.37 1ykr s ASP 86 Cb -0.04 -1.07 1.15 0.00 -0.34 0.00 0.00 42.92 42.62 1ykr s ASP 86 CO 0.02 -0.29 2.08 0.25 0.68 0.00 0.00 175.17 177.91 1ykr h LEU 87 N 1.29 0.00 0.11 2.11 5.85 -0.36 -2.38 115.31 121.94 1ykr h LEU 87 Ca -0.46 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1ykr h LEU 87 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1ykr h LEU 87 CO 0.59 0.08 -0.06 0.50 -0.34 0.00 0.00 178.44 179.21 1ykr h LYS 88 N 0.00 -0.15 -0.81 1.25 3.64 -1.78 0.18 116.57 118.90 1ykr h LYS 88 Ca -0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1ykr h LYS 88 Cb 0.15 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1ykr h LYS 88 CO 0.01 -0.01 0.41 -0.22 -2.27 0.00 0.00 179.45 177.38 1ykr h LYS 89 N -0.26 1.15 -0.50 1.90 3.64 -1.83 -0.59 116.57 120.08 1ykr h LYS 89 Ca -0.02 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 1ykr h LYS 89 Cb 0.21 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1ykr h LYS 89 CO 0.03 0.86 0.13 0.35 -2.27 0.00 0.00 179.45 178.54 1ykr h PHE 90 N 1.14 0.84 -0.53 1.91 3.57 -1.17 -0.56 116.94 122.14 1ykr h PHE 90 Ca 0.28 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 1ykr h PHE 90 Cb 0.07 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1ykr h PHE 90 CO 0.01 0.74 0.02 0.52 -2.23 0.00 0.00 178.31 177.38 1ykr h MET 91 N 0.69 0.89 -0.78 1.11 2.86 -0.28 -0.90 114.93 118.51 1ykr h MET 91 Ca 0.16 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1ykr h MET 91 Cb 0.32 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1ykr h MET 91 CO 0.00 0.87 0.29 -0.44 1.06 0.00 0.00 176.91 178.69 1ykr h ASP 92 N 0.83 1.10 1.31 1.22 3.32 -0.76 -1.04 116.42 122.40 1ykr h ASP 92 Ca 0.16 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ykr h ASP 92 Cb 0.46 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1ykr h ASP 92 CO 0.02 0.99 0.00 0.00 -1.72 0.00 0.00 179.24 178.53 1ykr h ALA 93 N 1.16 1.00 -0.55 3.45 0.00 -0.69 -3.00 119.26 120.63 1ykr h ALA 93 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ykr h ALA 93 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ykr h ALA 93 CO -0.02 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.66 1ykr n SER 94 N -3.07 3.51 -0.30 0.00 7.64 -0.38 -4.64 113.62 116.37 1ykr n SER 94 Ca 0.02 -1.98 0.05 0.00 1.01 0.00 0.00 58.87 57.96 1ykr n SER 94 Cb 0.37 -0.36 0.25 0.00 -1.01 0.00 0.00 64.21 63.46 1ykr n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ykr h ALA 95 N 3.52 1.54 -0.37 -0.43 0.00 -1.06 1.25 119.26 123.71 1ykr h ALA 95 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1ykr h ALA 95 Cb 0.89 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ykr h ALA 95 CO 0.00 0.31 -0.06 -0.07 0.00 0.00 0.00 179.25 179.43 1ykr h LEU 96 N 1.00 0.69 0.00 0.00 -0.00 -1.84 -3.34 115.31 111.82 1ykr h LEU 96 Ca 0.40 -0.35 -0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1ykr h LEU 96 Cb 0.25 -0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 40.72 1ykr h LEU 96 CO -0.15 0.88 -1.64 0.35 -0.00 0.00 0.00 178.44 177.88 1ykr n THR 97 N -4.41 0.01 0.00 0.22 -2.24 -1.17 -5.12 114.28 101.57 1ykr n THR 97 Ca -0.02 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1ykr n THR 97 Cb 0.33 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1ykr n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ykr n GLY 98 N 1.72 -1.73 3.72 3.38 0.00 0.43 -4.90 105.19 107.81 1ykr n GLY 98 Ca -0.03 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1ykr n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ykr s ILE 99 N -3.25 3.51 0.34 -0.61 1.01 -1.26 -4.95 121.20 116.00 1ykr s ILE 99 Ca 0.00 1.11 -0.28 0.00 0.00 0.00 0.00 60.65 61.47 1ykr s ILE 99 Cb 0.00 -3.71 -0.12 0.00 0.01 0.00 0.00 42.46 38.64 1ykr s ILE 99 CO 0.00 0.10 1.34 -2.65 0.00 0.00 0.00 174.94 173.73 1ykr n PRO 100 N 3.73 2.25 -0.23 2.79 -0.02 -1.26 -4.74 135.00 137.52 1ykr n PRO 100 Ca 0.10 0.79 0.04 0.00 -2.02 0.00 0.00 63.50 62.41 1ykr n PRO 100 Cb 0.44 -2.41 0.15 0.00 -0.02 0.00 0.00 33.50 31.66 1ykr n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ykr h LEU 101 N 2.73 -0.14 -1.34 2.45 6.46 -1.99 -0.06 115.31 123.43 1ykr h LEU 101 Ca -0.47 0.15 0.11 0.00 -0.12 0.00 0.00 57.88 57.55 1ykr h LEU 101 Cb 1.27 0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 41.39 1ykr h LEU 101 CO 0.64 -0.08 0.53 -0.65 -0.62 0.00 0.00 178.44 178.25 1ykr h PRO 102 N 0.19 0.70 -0.09 5.25 0.11 -1.99 0.13 132.00 136.30 1ykr h PRO 102 Ca 0.38 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 66.23 1ykr h PRO 102 Cb 0.64 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.61 1ykr h PRO 102 CO -0.53 0.46 -0.81 1.25 -0.21 0.00 0.00 178.00 178.16 1ykr h LEU 103 N 0.72 0.87 -0.42 2.35 5.85 -1.42 -1.23 115.31 122.03 1ykr h LEU 103 Ca 0.38 -0.67 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1ykr h LEU 103 Cb 0.51 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1ykr h LEU 103 CO -0.15 1.41 0.24 0.40 -0.34 0.00 0.00 178.44 180.00 1ykr h ILE 104 N 0.40 1.02 -0.72 4.05 2.04 -0.19 -0.35 117.51 123.75 1ykr h ILE 104 Ca -0.07 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1ykr h ILE 104 Cb 1.45 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 1ykr h ILE 104 CO 0.16 0.09 0.30 0.50 0.00 0.00 0.00 178.15 179.20 1ykr h LYS 105 N 0.48 1.08 -0.30 2.37 3.64 -0.75 -0.64 116.57 122.44 1ykr h LYS 105 Ca 0.17 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1ykr h LYS 105 Cb 0.03 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1ykr h LYS 105 CO -0.09 0.88 0.14 1.03 -2.27 0.00 0.00 179.45 179.13 1ykr h SER 106 N 1.03 0.40 -0.35 4.20 0.87 -0.66 -0.21 113.55 118.84 1ykr h SER 106 Ca 0.24 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1ykr h SER 106 Cb 0.20 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1ykr h SER 106 CO -0.02 0.43 0.17 1.88 -0.53 0.00 0.00 176.83 178.76 1ykr h TYR 107 N 0.35 0.50 -0.41 2.24 0.05 -0.87 -0.53 116.97 118.30 1ykr h TYR 107 Ca 0.10 -0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.90 1ykr h TYR 107 Cb 0.14 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.69 1ykr h TYR 107 CO -0.01 0.43 0.19 1.25 -1.05 0.00 0.00 178.16 178.96 1ykr h LEU 108 N 0.43 0.26 -0.08 3.88 5.85 -0.97 -0.37 115.31 124.30 1ykr h LEU 108 Ca 0.12 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1ykr h LEU 108 Cb 0.11 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1ykr h LEU 108 CO -0.02 0.19 0.02 0.15 -0.34 0.00 0.00 178.44 178.45 1ykr h PHE 109 N 0.38 0.04 -0.60 1.25 3.57 -0.79 -0.90 116.94 119.90 1ykr h PHE 109 Ca 0.18 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1ykr h PHE 109 Cb 0.11 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1ykr h PHE 109 CO -0.11 0.02 0.31 1.96 -2.23 0.00 0.00 178.31 178.25 1ykr h GLN 110 N 0.06 0.85 -0.32 1.11 4.20 -0.82 -1.38 115.11 118.81 1ykr h GLN 110 Ca 0.03 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1ykr h GLN 110 Cb 0.02 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1ykr h GLN 110 CO -0.04 0.67 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.63 1ykr h LEU 111 N 0.81 0.52 -0.95 1.46 3.38 -0.87 0.20 115.31 119.86 1ykr h LEU 111 Ca 0.21 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1ykr h LEU 111 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1ykr h LEU 111 CO -0.03 0.65 -0.42 -0.07 0.09 0.00 0.00 178.44 178.66 1ykr h LEU 112 N 0.50 0.24 -0.20 1.67 3.38 -0.76 0.57 115.31 120.72 1ykr h LEU 112 Ca 0.10 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ykr h LEU 112 Cb 0.46 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1ykr h LEU 112 CO 0.02 0.63 0.01 1.56 0.09 0.00 0.00 178.44 180.76 1ykr h GLN 113 N 0.19 0.35 -0.56 1.13 4.20 -0.12 0.27 115.11 120.57 1ykr h GLN 113 Ca 0.02 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.65 1ykr h GLN 113 Cb 0.82 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.53 1ykr h GLN 113 CO 0.06 0.53 0.33 0.78 -0.67 0.00 0.00 178.83 179.87 1ykr h GLY 114 N 0.12 0.79 0.99 3.46 0.00 -0.66 -1.14 103.07 106.63 1ykr h GLY 114 Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 1ykr h GLY 114 CO 0.01 0.21 -0.06 1.41 0.00 0.00 0.00 176.54 178.11 1ykr h LEU 115 N 0.66 0.80 -0.79 3.11 3.38 -0.74 -1.26 115.31 120.47 1ykr h LEU 115 Ca 0.22 -0.34 0.11 0.00 0.09 0.00 0.00 57.88 57.97 1ykr h LEU 115 Cb 0.03 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.48 1ykr h LEU 115 CO -0.10 0.95 0.42 0.00 0.09 0.00 0.00 178.44 179.80 1ykr h ALA 116 N 0.88 1.14 0.75 1.53 0.00 0.03 0.26 119.26 123.85 1ykr h ALA 116 Ca 0.12 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1ykr h ALA 116 Cb 0.58 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ykr h ALA 116 CO 0.03 -0.02 -0.36 0.35 0.00 0.00 0.00 179.25 179.26 1ykr h PHE 117 N 0.67 -0.94 -0.28 0.00 3.57 -0.89 -1.24 116.94 117.83 1ykr h PHE 117 Ca 0.40 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.94 1ykr h PHE 117 Cb 0.46 0.31 -0.06 0.00 2.79 0.00 0.00 35.95 39.46 1ykr h PHE 117 CO -0.09 -0.57 -0.10 0.00 -2.23 0.00 0.00 178.31 175.32 1ykr h HIS 119 N -0.05 0.27 0.00 0.00 3.86 -0.45 0.17 115.15 118.94 1ykr h HIS 119 Ca 0.14 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1ykr h HIS 119 Cb 0.26 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1ykr h HIS 119 CO -0.30 0.16 0.00 0.66 0.86 0.00 0.00 177.93 179.31 1ykr h SER 120 N 0.28 0.00 -0.66 2.45 4.64 -0.28 -1.88 113.55 118.10 1ykr h SER 120 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1ykr h SER 120 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1ykr h SER 120 CO -0.02 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.35 1ykr n HIS 121 N -2.96 1.45 -2.98 4.77 8.25 0.49 -4.94 115.22 119.31 1ykr n HIS 121 Ca 0.01 -0.60 -0.22 0.00 -0.26 0.00 0.00 57.72 56.64 1ykr n HIS 121 Cb 0.30 -0.22 0.03 0.00 1.12 0.00 0.00 29.99 31.22 1ykr n HIS 121 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ykr n ARG 122 N 1.18 -4.58 -4.48 -0.41 1.74 -0.71 -4.98 116.66 104.43 1ykr n ARG 122 Ca 0.26 0.91 -0.31 0.00 -0.77 0.00 0.00 57.85 57.94 1ykr n ARG 122 Cb 0.87 -5.75 -0.17 0.00 -1.02 0.00 0.00 32.46 26.39 1ykr n ARG 122 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ykr s VAL 123 N -3.16 1.81 0.18 1.55 1.01 -0.66 -5.00 120.40 116.14 1ykr s VAL 123 Ca 0.28 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.52 1ykr s VAL 123 Cb -0.12 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1ykr s VAL 123 CO 0.35 0.50 -0.02 -0.76 0.00 0.00 0.00 175.10 175.17 1ykr s LEU 124 N 0.99 3.23 -0.08 3.92 1.43 -1.26 -3.15 118.68 123.75 1ykr s LEU 124 Ca -0.05 -0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 52.51 1ykr s LEU 124 Cb -0.15 -1.88 -0.06 0.00 0.03 0.00 0.00 46.19 44.13 1ykr s LEU 124 CO -0.04 0.09 0.33 -0.74 0.23 0.00 0.00 176.35 176.22 1ykr h HIS 125 N 2.70 -0.16 0.00 0.29 -0.00 -1.95 -3.33 115.15 112.70 1ykr h HIS 125 Ca -0.47 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1ykr h HIS 125 Cb 1.21 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.67 1ykr h HIS 125 CO 0.63 0.03 0.00 0.54 -0.00 0.00 0.00 177.93 179.13 1ykr n ARG 126 N -4.88 0.00 -2.65 5.26 1.74 -1.26 -4.39 116.66 110.48 1ykr n ARG 126 Ca -0.04 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.95 1ykr n ARG 126 Cb 0.13 -0.48 0.03 0.00 -1.02 0.00 0.00 32.46 31.12 1ykr n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ykr n ASP 127 N 0.34 1.65 -4.75 0.55 2.03 -1.26 -5.01 116.55 110.11 1ykr n ASP 127 Ca 0.00 -2.75 -0.41 0.00 0.52 0.00 0.00 54.79 52.15 1ykr n ASP 127 Cb 0.00 -0.52 -0.03 0.00 -0.72 0.00 0.00 41.12 39.85 1ykr n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ykr s LEU 128 N -3.17 4.41 0.12 -2.67 1.43 -1.26 -4.93 118.68 112.61 1ykr s LEU 128 Ca 0.28 2.55 -0.24 0.00 -1.03 0.00 0.00 54.13 55.69 1ykr s LEU 128 Cb 0.45 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 43.12 1ykr s LEU 128 CO 0.02 -0.58 0.66 -1.59 0.23 0.00 0.00 176.35 175.09 1ykr s LYS 129 N -0.55 1.18 0.36 1.70 -2.85 -1.26 -4.78 119.74 113.54 1ykr s LYS 129 Ca 0.56 -0.41 0.12 0.00 -1.00 0.00 0.00 55.97 55.23 1ykr s LYS 129 Cb -0.39 0.55 0.91 0.00 -2.06 0.00 0.00 37.83 36.84 1ykr s LYS 129 CO 0.43 -0.51 1.81 -1.35 0.10 0.00 0.00 175.35 175.83 1ykr h PRO 130 N 2.03 0.57 0.00 1.78 0.11 -1.94 0.67 132.00 135.22 1ykr h PRO 130 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1ykr h PRO 130 Cb 1.29 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ykr h PRO 130 CO 0.37 0.38 0.00 -0.56 -0.21 0.00 0.00 178.00 177.97 1ykr h GLN 131 N 0.59 0.00 -0.44 1.05 -0.00 -1.94 -2.53 115.11 111.83 1ykr h GLN 131 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.18 1ykr h GLN 131 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.53 1ykr h GLN 131 CO -0.28 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 178.64 1ykr n ASN 132 N -2.59 3.57 -4.36 0.06 3.02 0.21 -4.83 115.26 110.35 1ykr n ASN 132 Ca 0.01 -2.00 -0.34 0.00 -0.03 0.00 0.00 54.58 52.22 1ykr n ASN 132 Cb 0.24 -0.29 -0.14 0.00 -0.61 0.00 0.00 39.78 38.99 1ykr n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ykr s LEU 133 N -1.42 2.91 0.01 3.41 1.43 -0.98 -1.30 118.68 122.74 1ykr s LEU 133 Ca 0.41 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1ykr s LEU 133 Cb 0.23 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 1ykr s LEU 133 CO 0.32 0.06 -0.10 -0.76 0.23 0.00 0.00 176.35 176.10 1ykr s LEU 134 N 1.03 3.01 0.22 1.79 1.43 -0.39 -0.29 118.68 125.48 1ykr s LEU 134 Ca 0.00 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 52.97 1ykr s LEU 134 Cb -0.15 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 1ykr s LEU 134 CO -0.00 0.28 -0.12 0.27 0.23 0.00 0.00 176.35 177.01 1ykr s ILE 135 N -0.96 1.69 0.39 -0.59 -4.36 -0.24 0.47 121.20 117.60 1ykr s ILE 135 Ca 0.16 -2.19 0.04 0.00 -0.26 0.00 0.00 60.65 58.40 1ykr s ILE 135 Cb -0.11 -2.12 -0.03 0.00 1.25 0.00 0.00 42.46 41.45 1ykr s ILE 135 CO 0.06 -0.54 0.12 0.54 0.24 0.00 0.00 174.94 175.37 1ykr s ASN 136 N -3.34 2.67 0.57 4.36 2.20 -0.98 -3.79 114.94 116.64 1ykr s ASN 136 Ca 0.24 -1.64 0.35 0.00 -0.94 0.00 0.00 52.86 50.87 1ykr s ASN 136 Cb 0.00 0.44 1.68 0.00 -2.00 0.00 0.00 41.25 41.38 1ykr s ASN 136 CO 0.08 -0.90 2.11 0.71 -2.94 0.00 0.00 177.10 176.16 1ykr h THR 137 N 1.85 0.15 -0.00 0.54 1.35 -1.94 -2.94 112.91 111.92 1ykr h THR 137 Ca -0.36 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1ykr h THR 137 Cb 1.27 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1ykr h THR 137 CO 0.58 0.04 -0.07 -0.62 -0.25 0.00 0.00 175.52 175.19 1ykr n GLU 138 N -3.22 0.82 -0.07 4.72 1.02 -1.26 -4.50 120.64 118.15 1ykr n GLU 138 Ca -0.01 -0.25 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 1ykr n GLU 138 Cb 0.23 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1ykr n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ykr n GLY 139 N 1.22 0.74 3.88 0.62 0.00 -1.11 -4.79 105.19 105.75 1ykr n GLY 139 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1ykr n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ykr s ALA 140 N -2.07 3.34 -0.00 4.61 0.00 -1.26 -4.87 121.76 121.50 1ykr s ALA 140 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1ykr s ALA 140 Cb 0.00 -2.71 -0.00 0.00 0.00 0.00 0.00 23.12 20.41 1ykr s ALA 140 CO 0.00 -0.05 -0.04 -1.50 0.00 0.00 0.00 175.76 174.17 1ykr s ILE 141 N -2.42 0.30 0.04 0.00 2.07 -1.26 -2.31 121.20 117.62 1ykr s ILE 141 Ca 0.51 -0.17 0.03 0.00 -1.41 0.00 0.00 60.65 59.61 1ykr s ILE 141 Cb -0.10 -0.26 -0.02 0.00 0.13 0.00 0.00 42.46 42.21 1ykr s ILE 141 CO 0.33 0.08 -0.09 -0.54 -1.91 0.00 0.00 174.94 172.81 1ykr s LYS 142 N -0.10 0.60 0.07 3.50 1.02 0.18 -4.63 119.74 120.37 1ykr s LYS 142 Ca 0.01 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.03 1ykr s LYS 142 Cb -0.02 -0.47 -0.05 0.00 -0.52 0.00 0.00 37.83 36.78 1ykr s LYS 142 CO -0.00 0.10 1.09 -0.51 -0.92 0.00 0.00 175.35 175.11 1ykr s LEU 143 N -1.26 4.41 0.11 3.17 1.43 0.02 -1.26 118.68 125.30 1ykr s LEU 143 Ca -0.05 1.90 0.09 0.00 -1.03 0.00 0.00 54.13 55.04 1ykr s LEU 143 Cb -0.08 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1ykr s LEU 143 CO 0.01 -0.31 -0.22 0.00 0.23 0.00 0.00 176.35 176.05 1ykr s ALA 144 N 0.66 1.97 -1.04 4.21 0.00 -0.42 -0.67 121.76 126.47 1ykr s ALA 144 Ca 0.53 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 1ykr s ALA 144 Cb -0.26 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1ykr s ALA 144 CO 0.30 0.41 0.13 -0.25 0.00 0.00 0.00 175.76 176.35 1ykr n ASP 145 N 1.00 -4.12 -4.71 0.00 9.92 -1.26 -4.85 116.55 112.53 1ykr n ASP 145 Ca -0.19 -0.07 -0.42 0.00 -0.53 0.00 0.00 54.79 53.58 1ykr n ASP 145 Cb 0.54 -3.21 -0.03 0.00 -0.64 0.00 0.00 41.12 37.78 1ykr n ASP 145 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1ykr s PHE 146 N -2.74 3.42 0.00 1.24 2.19 -1.26 -3.40 117.98 117.44 1ykr s PHE 146 Ca 0.06 1.36 0.00 0.00 0.33 0.00 0.00 56.93 58.68 1ykr s PHE 146 Cb -0.03 -3.36 0.00 0.00 -1.31 0.00 0.00 43.02 38.32 1ykr s PHE 146 CO 0.08 -1.03 0.00 0.41 1.83 0.00 0.00 175.22 176.51 1ykr n GLY 147 N 3.19 2.94 0.09 13.12 0.00 -1.25 -4.85 105.19 118.42 1ykr n GLY 147 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1ykr n GLY 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ykr n LEU 148 N 0.00 0.36 -0.03 0.99 4.77 -1.22 -2.20 117.00 119.68 1ykr n LEU 148 Ca 0.00 0.63 -0.12 0.00 -0.03 0.00 0.00 56.01 56.49 1ykr n LEU 148 Cb 0.00 -0.64 -0.10 0.00 -2.33 0.00 0.00 43.42 40.35 1ykr n LEU 148 CO 0.00 -0.63 0.45 0.00 -1.33 0.00 0.00 177.39 175.87 1ykr h ALA 149 N 2.15 -0.04 -0.39 -1.18 0.00 -1.80 -2.59 119.26 115.41 1ykr h ALA 149 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1ykr h ALA 149 Cb 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ykr h ALA 149 CO 0.00 -0.13 -0.16 -0.09 0.00 0.00 0.00 179.25 178.87 1ykr h ARG 150 N -0.82 0.73 0.15 0.00 2.43 -1.82 -1.04 114.38 114.00 1ykr h ARG 150 Ca -0.00 -0.26 0.02 0.00 -0.81 0.00 0.00 59.98 58.93 1ykr h ARG 150 Cb 0.71 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 1ykr h ARG 150 CO 0.01 0.84 -0.32 0.00 -1.51 0.00 0.00 179.97 178.99 1ykr h ALA 151 N 1.18 -0.57 -3.00 2.80 0.00 -1.51 -3.42 119.26 114.73 1ykr h ALA 151 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ykr h ALA 151 Cb 0.63 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ykr h ALA 151 CO 0.04 -0.87 0.00 1.19 0.00 0.00 0.00 179.25 179.61 1ykr n PHE 152 N -5.42 0.00 0.00 0.00 3.72 -0.98 -4.48 117.46 110.31 1ykr n PHE 152 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1ykr n PHE 152 Cb 0.33 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 1ykr n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ykr n GLY 153 N 3.80 0.07 3.08 1.37 0.00 -0.40 -4.98 105.19 108.12 1ykr n GLY 153 Ca 0.00 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 1ykr n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ykr s VAL 154 N -2.00 3.21 0.63 1.61 1.01 -1.26 -4.76 120.40 118.84 1ykr s VAL 154 Ca 0.00 -2.47 -0.14 0.00 0.00 0.00 0.00 61.98 59.37 1ykr s VAL 154 Cb 0.00 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1ykr s VAL 154 CO 0.00 -0.74 1.05 -2.16 0.00 0.00 0.00 175.10 173.25 1ykr s PRO 155 N 0.63 3.24 0.16 2.72 0.04 -1.26 -4.98 135.00 135.54 1ykr s PRO 155 Ca 0.12 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 1ykr s PRO 155 Cb -0.22 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.32 1ykr s PRO 155 CO -0.04 -0.86 1.59 0.28 0.04 0.00 0.00 177.00 178.01 1ykr h VAL 156 N -0.01 1.27 -4.11 -0.36 2.07 -1.97 -3.44 116.25 109.70 1ykr h VAL 156 Ca -0.45 -1.19 -0.56 0.00 0.82 0.00 0.00 66.70 65.32 1ykr h VAL 156 Cb 1.21 1.00 -0.25 0.00 -1.52 0.00 0.00 31.29 31.73 1ykr h VAL 156 CO 0.58 0.42 -0.83 -0.13 0.02 0.00 0.00 177.57 177.62 1ykr s ARG 157 N -4.90 1.28 0.78 1.57 1.81 -1.26 -1.09 118.95 117.14 1ykr s ARG 157 Ca -0.12 -0.95 -0.13 0.00 -1.72 0.00 0.00 55.73 52.80 1ykr s ARG 157 Cb 0.12 -1.40 0.18 0.00 -0.45 0.00 0.00 34.95 33.40 1ykr s ARG 157 CO 0.84 0.35 1.00 0.25 -0.68 0.00 0.00 175.30 177.07 1ykr n THR 158 N 1.72 0.00 0.29 0.02 -2.24 -0.09 -4.79 114.28 109.20 1ykr n THR 158 Ca -0.18 -0.70 0.14 0.00 -2.27 0.00 0.00 64.05 61.04 1ykr n THR 158 Cb 0.54 -1.56 0.88 0.00 -2.10 0.00 0.00 70.33 68.08 1ykr n THR 158 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 1ykr h TYR 159 N -1.71 0.00 -0.38 4.78 -0.00 -1.81 0.32 116.97 118.16 1ykr h TYR 159 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.40 1ykr h TYR 159 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.65 1ykr h TYR 159 CO 0.00 0.02 0.00 0.25 -0.00 0.00 0.00 178.16 178.43 1ykr n THR 160 N -3.86 1.35 -0.79 -0.90 -2.24 -1.26 -4.87 114.28 101.72 1ykr n THR 160 Ca -0.03 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1ykr n THR 160 Cb 0.10 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1ykr n THR 160 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ykr n HIS 161 N 0.52 0.00 -1.98 4.78 8.25 0.11 -4.91 115.22 121.99 1ykr n HIS 161 Ca 0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 1ykr n HIS 161 Cb 0.69 -1.55 -0.03 0.00 1.12 0.00 0.00 29.99 30.22 1ykr n HIS 161 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1ykr s GLU 162 N -1.34 4.24 0.29 -0.41 2.02 -1.26 -4.55 118.70 117.69 1ykr s GLU 162 Ca 0.00 2.31 -0.29 0.00 0.02 0.00 0.00 54.97 57.01 1ykr s GLU 162 Cb 0.00 -3.16 -0.10 0.00 0.10 0.00 0.00 34.13 30.97 1ykr s GLU 162 CO 0.00 -0.56 1.32 0.08 0.02 0.00 0.00 175.26 176.12 1ykr s VAL 163 N 0.99 2.81 0.01 2.63 1.01 -1.26 -0.91 120.40 125.69 1ykr s VAL 163 Ca 0.68 0.77 -0.27 0.00 0.00 0.00 0.00 61.98 63.15 1ykr s VAL 163 Cb -0.42 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1ykr s VAL 163 CO 0.33 0.16 0.87 0.54 0.00 0.00 0.00 175.10 177.00 1ykr s VAL 164 N -0.76 4.83 0.28 2.92 0.11 -0.25 -4.92 120.40 122.62 1ykr s VAL 164 Ca 0.52 1.83 -0.29 0.00 -2.93 0.00 0.00 61.98 61.10 1ykr s VAL 164 Cb -0.39 -4.21 -0.10 0.00 -1.53 0.00 0.00 36.38 30.14 1ykr s VAL 164 CO 0.48 0.24 1.36 0.28 -3.33 0.00 0.00 175.10 174.14 1ykr s THR 165 N 0.61 2.77 -0.72 5.04 -1.32 -1.26 -4.93 115.64 115.84 1ykr s THR 165 Ca 0.45 0.70 0.13 0.00 -1.21 0.00 0.00 61.69 61.76 1ykr s THR 165 Cb -0.20 -3.45 -0.12 0.00 -1.51 0.00 0.00 72.50 67.22 1ykr s THR 165 CO 0.25 0.14 0.58 0.18 -2.21 0.00 0.00 174.62 173.56 1ykr n LEU 166 N 1.70 0.76 -0.38 9.08 4.77 -1.26 -4.68 117.00 126.98 1ykr n LEU 166 Ca 0.04 -0.55 0.38 0.00 -0.03 0.00 0.00 56.01 55.85 1ykr n LEU 166 Cb 0.41 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 42.26 1ykr n LEU 166 CO 0.59 0.17 1.35 -0.50 -1.33 0.00 0.00 177.39 177.67 1ykr h TRP 167 N 0.26 0.04 -0.31 -1.77 6.55 -1.79 -1.17 115.95 117.76 1ykr h TRP 167 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1ykr h TRP 167 Cb 0.33 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 28.62 1ykr h TRP 167 CO 0.00 -0.00 0.00 0.66 -1.05 0.00 0.00 178.44 178.05 1ykr n TYR 168 N -4.17 0.41 -2.35 0.49 4.02 -1.26 -4.47 117.16 109.84 1ykr n TYR 168 Ca 0.29 -0.34 -0.42 0.00 -0.01 0.00 0.00 57.90 57.42 1ykr n TYR 168 Cb 1.35 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 40.63 1ykr n TYR 168 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1ykr s ARG 169 N -1.06 4.44 0.57 -0.72 3.52 -0.44 -3.80 118.95 121.45 1ykr s ARG 169 Ca 0.26 1.88 -0.19 0.00 -0.13 0.00 0.00 55.73 57.55 1ykr s ARG 169 Cb 0.14 -3.27 -0.05 0.00 -1.56 0.00 0.00 34.95 30.21 1ykr s ARG 169 CO 0.20 -0.21 1.15 0.00 -0.81 0.00 0.00 175.30 175.62 1ykr s ALA 170 N 0.53 2.64 0.37 6.12 0.00 -1.26 -4.90 121.76 125.25 1ykr s ALA 170 Ca 0.57 0.86 0.05 0.00 0.00 0.00 0.00 51.96 53.44 1ykr s ALA 170 Cb -0.32 -3.38 0.75 0.00 0.00 0.00 0.00 23.12 20.16 1ykr s ALA 170 CO 0.33 -0.92 2.00 -1.00 0.00 0.00 0.00 175.76 176.17 1ykr h PRO 171 N 1.03 0.71 -0.20 0.00 0.13 -1.94 -2.15 132.00 129.57 1ykr h PRO 171 Ca -0.50 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 1ykr h PRO 171 Cb 1.27 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1ykr h PRO 171 CO 0.56 0.47 -0.02 1.05 -0.23 0.00 0.00 178.00 179.83 1ykr h GLU 172 N 0.73 0.29 -0.19 0.86 9.09 -1.92 0.11 114.58 123.56 1ykr h GLU 172 Ca 0.26 -0.05 -0.12 0.00 0.05 0.00 0.00 59.36 59.50 1ykr h GLU 172 Cb 0.11 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 1ykr h GLU 172 CO -0.07 0.34 -0.35 0.82 0.05 0.00 0.00 179.01 179.80 1ykr h ILE 173 N 0.29 1.34 -0.05 -1.06 2.04 -1.66 0.33 117.51 118.73 1ykr h ILE 173 Ca 0.07 -1.58 -0.04 0.00 1.00 0.00 0.00 64.86 64.30 1ykr h ILE 173 Cb 0.23 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1ykr h ILE 173 CO 0.01 0.49 -0.17 -0.07 0.00 0.00 0.00 178.15 178.40 1ykr h LEU 174 N 0.23 0.07 -0.76 1.44 3.38 -1.04 -2.03 115.31 116.60 1ykr h LEU 174 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ykr h LEU 174 Cb 0.94 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1ykr h LEU 174 CO 0.08 0.25 0.00 0.18 0.09 0.00 0.00 178.44 179.04 1ykr n LEU 175 N -4.30 1.14 0.00 1.67 4.77 0.31 -4.88 117.00 115.71 1ykr n LEU 175 Ca -0.02 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1ykr n LEU 175 Cb 0.26 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1ykr n LEU 175 CO 0.37 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1ykr n GLY 176 N 0.99 0.71 3.67 -0.72 0.00 -0.76 -0.30 105.19 108.77 1ykr n GLY 176 Ca 0.14 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1ykr n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ykr h LYS 178 N 8.70 0.00 -2.04 0.00 -0.00 -1.94 -3.38 116.57 117.91 1ykr h LYS 178 Ca -0.34 0.00 -0.58 0.00 -0.00 0.00 0.00 60.65 59.73 1ykr h LYS 178 Cb 1.15 0.00 -0.42 0.00 -0.00 0.00 0.00 32.23 32.96 1ykr h LYS 178 CO 0.95 0.13 -0.70 0.66 -0.00 0.00 0.00 179.45 180.49 1ykr n TYR 179 N -2.95 3.66 -1.33 0.07 4.01 -1.26 -5.07 117.16 114.28 1ykr n TYR 179 Ca 0.00 -3.72 -0.29 0.00 -0.16 0.00 0.00 57.90 53.73 1ykr n TYR 179 Cb 0.62 -0.37 0.15 0.00 -0.31 0.00 0.00 39.34 39.42 1ykr n TYR 179 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1ykr s TYR 180 N -3.44 2.35 0.27 -0.72 -0.85 -1.26 -5.07 117.35 108.62 1ykr s TYR 180 Ca 0.48 1.01 0.02 0.00 -0.52 0.00 0.00 57.07 58.05 1ykr s TYR 180 Cb 0.32 -3.27 0.02 0.00 0.38 0.00 0.00 41.96 39.41 1ykr s TYR 180 CO -0.15 -2.52 0.13 -1.13 -1.52 0.00 0.00 175.55 170.36 1ykr n SER 181 N -3.92 2.18 0.30 -0.18 3.41 -1.26 -4.98 113.62 109.17 1ykr n SER 181 Ca 0.06 -2.00 0.18 0.00 -0.26 0.00 0.00 58.87 56.85 1ykr n SER 181 Cb 0.57 0.05 0.96 0.00 -0.26 0.00 0.00 64.21 65.54 1ykr n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1ykr h THR 182 N 0.79 0.11 -0.11 6.66 1.35 -1.97 -1.13 112.91 118.61 1ykr h THR 182 Ca -0.19 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.70 1ykr h THR 182 Cb 0.63 0.82 -0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1ykr h THR 182 CO 0.30 0.00 0.15 0.00 -0.25 0.00 0.00 175.52 175.72 1ykr h ALA 183 N 1.66 1.62 -0.29 6.62 0.00 -1.94 -1.55 119.26 125.37 1ykr h ALA 183 Ca 0.02 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ykr h ALA 183 Cb 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ykr h ALA 183 CO -0.00 -0.20 -0.03 -0.39 0.00 0.00 0.00 179.25 178.63 1ykr h VAL 184 N 0.00 1.19 -0.30 0.00 -1.51 -1.60 -2.18 116.25 111.85 1ykr h VAL 184 Ca 0.05 -0.77 -0.13 0.00 -1.23 0.00 0.00 66.70 64.62 1ykr h VAL 184 Cb 0.34 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.49 1ykr h VAL 184 CO -0.00 0.26 -0.35 0.44 -1.23 0.00 0.00 177.57 176.68 1ykr h ASP 185 N 0.44 0.69 -0.74 4.19 3.32 -1.50 -2.01 116.42 120.81 1ykr h ASP 185 Ca 0.09 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 1ykr h ASP 185 Cb 0.33 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1ykr h ASP 185 CO 0.01 0.99 0.26 0.40 -1.72 0.00 0.00 179.24 179.17 1ykr h ILE 186 N 0.55 1.26 0.20 0.35 1.08 -1.48 0.05 117.51 119.52 1ykr h ILE 186 Ca 0.06 -0.87 -0.01 0.00 -0.39 0.00 0.00 64.86 63.65 1ykr h ILE 186 Cb 0.87 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.03 1ykr h ILE 186 CO 0.08 0.35 -0.10 -0.25 -0.69 0.00 0.00 178.15 177.53 1ykr h TRP 187 N 1.10 -0.25 -0.58 1.37 2.91 -1.16 0.47 115.95 119.81 1ykr h TRP 187 Ca 0.25 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.33 1ykr h TRP 187 Cb 0.27 0.08 -0.06 0.00 -0.51 0.00 0.00 29.16 28.94 1ykr h TRP 187 CO 0.02 -0.07 0.25 0.77 -1.03 0.00 0.00 178.44 178.38 1ykr h SER 188 N -0.38 0.30 -0.09 2.65 0.02 -1.12 -0.63 113.55 114.31 1ykr h SER 188 Ca -0.03 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1ykr h SER 188 Cb 0.29 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1ykr h SER 188 CO 0.05 0.19 -0.12 0.25 -1.14 0.00 0.00 176.83 176.05 1ykr h LEU 189 N 0.46 0.40 -0.63 5.07 5.85 -0.77 -1.23 115.31 124.46 1ykr h LEU 189 Ca 0.28 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 1ykr h LEU 189 Cb 0.28 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1ykr h LEU 189 CO -0.25 0.55 0.24 1.23 -0.34 0.00 0.00 178.44 179.87 1ykr h GLY 190 N 0.87 1.02 1.38 3.75 0.00 0.52 0.69 103.07 111.30 1ykr h GLY 190 Ca 0.07 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 1ykr h GLY 190 CO 0.03 0.53 0.07 0.00 0.00 0.00 0.00 176.54 177.17 1ykr h ILE 192 N 0.73 1.28 -0.04 0.00 2.04 -0.86 -1.98 117.51 118.69 1ykr h ILE 192 Ca 0.16 -1.63 0.02 0.00 1.00 0.00 0.00 64.86 64.41 1ykr h ILE 192 Cb 0.35 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1ykr h ILE 192 CO 0.01 0.54 -0.11 0.15 0.00 0.00 0.00 178.15 178.74 1ykr h PHE 193 N 0.69 -0.27 -0.67 1.37 3.57 -0.52 -0.27 116.94 120.84 1ykr h PHE 193 Ca 0.04 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.60 1ykr h PHE 193 Cb 1.05 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.87 1ykr h PHE 193 CO 0.07 -0.16 0.40 0.00 -2.23 0.00 0.00 178.31 176.38 1ykr h ALA 194 N 0.84 0.89 -0.83 2.41 0.00 -1.16 -2.41 119.26 119.01 1ykr h ALA 194 Ca 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1ykr h ALA 194 Cb 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1ykr h ALA 194 CO -0.13 0.11 0.38 1.49 0.00 0.00 0.00 179.25 181.10 1ykr h GLU 195 N 0.75 1.20 -0.79 0.00 4.81 -0.65 0.09 114.58 119.98 1ykr h GLU 195 Ca 0.29 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1ykr h GLU 195 Cb 0.11 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 1ykr h GLU 195 CO -0.15 0.93 0.32 0.52 -0.73 0.00 0.00 179.01 179.91 1ykr h MET 196 N 1.18 1.18 0.03 1.92 2.86 -0.68 0.13 114.93 121.55 1ykr h MET 196 Ca 0.28 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1ykr h MET 196 Cb 0.14 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1ykr h MET 196 CO -0.03 0.95 -0.01 0.28 1.06 0.00 0.00 176.91 179.16 1ykr h VAL 197 N 1.15 1.30 0.00 -2.22 2.07 -0.93 -3.35 116.25 114.27 1ykr h VAL 197 Ca 0.27 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1ykr h VAL 197 Cb 0.21 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1ykr h VAL 197 CO -0.02 0.26 -0.78 0.71 0.02 0.00 0.00 177.57 177.76 1ykr h THR 198 N -0.50 0.00 -1.79 2.57 1.35 -1.02 -3.46 112.91 110.07 1ykr h THR 198 Ca -0.00 -0.78 -0.20 0.00 -0.55 0.00 0.00 66.41 64.88 1ykr h THR 198 Cb 0.46 1.34 0.01 0.00 -1.73 0.00 0.00 68.15 68.23 1ykr h THR 198 CO 0.01 0.00 -0.27 0.54 -0.25 0.00 0.00 175.52 175.55 1ykr n ARG 199 N -2.46 -1.39 -3.66 4.72 1.74 0.44 -5.02 116.66 111.04 1ykr n ARG 199 Ca 0.02 0.46 -0.11 0.00 -0.77 0.00 0.00 57.85 57.45 1ykr n ARG 199 Cb 0.50 -4.44 -0.08 0.00 -1.02 0.00 0.00 32.46 27.42 1ykr n ARG 199 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ykr s ARG 200 N -4.72 0.69 0.29 5.56 3.52 -1.22 -5.07 118.95 118.01 1ykr s ARG 200 Ca 0.06 0.99 -0.29 0.00 -0.13 0.00 0.00 55.73 56.36 1ykr s ARG 200 Cb -0.02 0.25 -0.14 0.00 -1.56 0.00 0.00 34.95 33.48 1ykr s ARG 200 CO 0.07 -0.12 1.13 0.00 -0.81 0.00 0.00 175.30 175.58 1ykr n ALA 201 N 3.42 0.31 -0.03 6.12 0.00 -1.26 -4.33 120.51 124.74 1ykr n ALA 201 Ca -0.17 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.52 1ykr n ALA 201 Cb 0.57 -2.11 -0.11 0.00 0.00 0.00 0.00 19.45 17.80 1ykr n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ykr h LEU 202 N 2.40 0.07 -6.74 0.00 5.85 -1.91 -3.40 115.31 111.58 1ykr h LEU 202 Ca -0.42 -0.65 -0.61 0.00 0.84 0.00 0.00 57.88 57.04 1ykr h LEU 202 Cb 1.32 -0.02 -0.40 0.00 0.37 0.00 0.00 40.66 41.93 1ykr h LEU 202 CO 0.63 0.71 -0.77 -0.36 -0.34 0.00 0.00 178.44 178.31 1ykr s PHE 203 N -3.61 2.36 -1.39 1.25 0.08 -1.26 -5.01 117.98 110.40 1ykr s PHE 203 Ca -0.16 -2.84 -0.11 0.00 0.12 0.00 0.00 56.93 53.93 1ykr s PHE 203 Cb 0.01 -1.84 0.09 0.00 -0.57 0.00 0.00 43.02 40.71 1ykr s PHE 203 CO 0.70 -0.68 2.18 -0.35 -0.10 0.00 0.00 175.22 176.96 1ykr n PRO 204 N 2.41 3.43 -2.58 0.24 -0.04 -1.26 -4.24 135.00 132.96 1ykr n PRO 204 Ca 0.24 -3.02 -0.33 0.00 -0.04 0.00 0.00 63.50 60.35 1ykr n PRO 204 Cb 0.41 -3.02 -0.05 0.00 -0.04 0.00 0.00 33.50 30.80 1ykr n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ykr s GLY 205 N 1.84 2.30 -0.09 0.55 0.00 -1.26 -4.97 107.32 105.69 1ykr s GLY 205 Ca 0.47 0.38 0.13 0.00 0.00 0.00 0.00 44.72 45.70 1ykr s GLY 205 CO -0.05 0.68 1.20 2.09 0.00 0.00 0.00 173.10 177.02 1ykr n ASP 206 N -1.08 2.75 -3.46 1.64 5.75 -1.26 -4.51 116.55 116.38 1ykr n ASP 206 Ca 0.08 -2.64 -0.10 0.00 -0.01 0.00 0.00 54.79 52.12 1ykr n ASP 206 Cb 0.54 -0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 40.28 1ykr n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1ykr s SER 207 N -1.89 -0.47 0.22 -1.12 1.04 -1.26 -5.01 113.70 105.21 1ykr s SER 207 Ca 0.26 -0.01 -0.09 0.00 0.48 0.00 0.00 55.95 56.59 1ykr s SER 207 Cb 0.20 0.50 0.21 0.00 0.10 0.00 0.00 66.02 67.03 1ykr s SER 207 CO 0.06 -0.81 1.88 -0.33 0.98 0.00 0.00 173.24 175.02 1ykr h GLU 208 N 2.00 1.03 -0.09 4.02 5.08 -1.99 0.89 114.58 125.51 1ykr h GLU 208 Ca -0.28 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 57.83 1ykr h GLU 208 Cb 1.28 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1ykr h GLU 208 CO 0.35 0.68 -0.70 0.97 -1.00 0.00 0.00 179.01 179.30 1ykr h ILE 209 N 1.06 1.37 -0.27 3.13 6.09 -1.97 -1.20 117.51 125.72 1ykr h ILE 209 Ca 0.31 -2.09 -0.11 0.00 -1.37 0.00 0.00 64.86 61.60 1ykr h ILE 209 Cb -0.06 2.06 -0.01 0.00 0.47 0.00 0.00 36.82 39.28 1ykr h ILE 209 CO -0.09 0.63 -0.30 -0.78 -3.07 0.00 0.00 178.15 174.54 1ykr h ASP 210 N 0.29 0.57 0.17 2.19 3.58 -1.86 0.15 116.42 121.51 1ykr h ASP 210 Ca -0.03 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 1ykr h ASP 210 Cb 1.27 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1ykr h ASP 210 CO 0.12 0.84 -0.08 -0.61 -2.88 0.00 0.00 179.24 176.63 1ykr h GLN 211 N 0.48 -0.22 -0.10 0.28 5.75 -0.69 -0.12 115.11 120.49 1ykr h GLN 211 Ca 0.06 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.61 1ykr h GLN 211 Cb 0.76 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.32 1ykr h GLN 211 CO 0.06 0.06 -0.14 1.25 -2.65 0.00 0.00 178.83 177.41 1ykr h LEU 212 N -0.50 -0.43 -1.43 -2.39 5.85 -1.05 -1.20 115.31 114.16 1ykr h LEU 212 Ca -0.02 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1ykr h LEU 212 Cb 0.38 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1ykr h LEU 212 CO 0.04 -0.19 -0.07 -0.26 -0.34 0.00 0.00 178.44 177.62 1ykr h PHE 213 N -0.18 0.29 -0.45 1.25 -1.00 -0.67 0.74 116.94 116.91 1ykr h PHE 213 Ca 0.08 -0.03 -0.12 0.00 2.81 0.00 0.00 57.97 60.72 1ykr h PHE 213 Cb 0.30 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.76 1ykr h PHE 213 CO -0.24 0.36 -0.18 0.00 -1.61 0.00 0.00 178.31 176.64 1ykr h ARG 214 N 0.27 0.88 -0.13 1.51 3.08 -0.48 0.10 114.38 119.61 1ykr h ARG 214 Ca 0.06 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 1ykr h ARG 214 Cb 0.31 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1ykr h ARG 214 CO 0.01 0.99 0.04 0.82 -1.07 0.00 0.00 179.97 180.76 1ykr h ILE 215 N 0.78 1.18 -0.50 2.04 2.04 -0.34 -2.86 117.51 119.84 1ykr h ILE 215 Ca 0.11 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.44 1ykr h ILE 215 Cb 0.72 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 1ykr h ILE 215 CO 0.06 0.17 0.29 -0.26 0.00 0.00 0.00 178.15 178.40 1ykr h PHE 216 N 0.02 0.54 0.00 1.37 0.04 -0.61 0.78 116.94 119.09 1ykr h PHE 216 Ca 0.04 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 1ykr h PHE 216 Cb 0.22 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 1ykr h PHE 216 CO -0.00 0.30 -0.01 0.00 -0.60 0.00 0.00 178.31 178.00 1ykr h ARG 217 N 0.58 0.00 0.00 1.51 3.08 -0.72 0.71 114.38 119.53 1ykr h ARG 217 Ca 0.21 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.99 1ykr h ARG 217 Cb 0.04 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1ykr h ARG 217 CO -0.11 0.01 -1.59 2.41 -1.07 0.00 0.00 179.97 179.62 1ykr n THR 218 N -4.01 1.52 1.28 2.04 -1.04 -0.86 -4.52 114.28 108.69 1ykr n THR 218 Ca -0.03 -0.11 0.13 0.00 -2.04 0.00 0.00 64.05 62.00 1ykr n THR 218 Cb 0.09 -2.05 0.34 0.00 -1.82 0.00 0.00 70.33 66.89 1ykr n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ykr n LEU 219 N -4.39 1.69 0.00 -4.42 4.77 0.21 -1.16 117.00 113.70 1ykr n LEU 219 Ca -0.36 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 1ykr n LEU 219 Cb 0.69 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1ykr n LEU 219 CO 0.13 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1ykr n GLY 220 N 1.28 -0.72 3.68 -0.72 0.00 0.25 -4.52 105.19 104.43 1ykr n GLY 220 Ca 0.15 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 1ykr n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ykr s THR 221 N -2.58 3.29 0.55 2.61 2.01 -0.48 -4.57 115.64 116.47 1ykr s THR 221 Ca 0.00 0.60 -0.20 0.00 0.31 0.00 0.00 61.69 62.41 1ykr s THR 221 Cb 0.00 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 1ykr s THR 221 CO 0.00 -0.02 1.16 -2.16 -0.69 0.00 0.00 174.62 172.91 1ykr s PRO 222 N 3.15 3.31 0.25 4.92 0.04 -1.26 -4.86 135.00 140.55 1ykr s PRO 222 Ca 0.73 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.52 1ykr s PRO 222 Cb -0.37 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1ykr s PRO 222 CO 0.31 -0.91 0.23 -0.40 0.04 0.00 0.00 177.00 176.27 1ykr n ASP 223 N -1.26 -0.59 0.29 6.66 5.68 -1.26 -4.98 116.55 121.09 1ykr n ASP 223 Ca 0.12 -2.61 0.15 0.00 -0.50 0.00 0.00 54.79 51.95 1ykr n ASP 223 Cb 0.50 1.33 0.89 0.00 -1.14 0.00 0.00 41.12 42.69 1ykr n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1ykr h GLU 224 N 0.00 0.00 -0.09 0.11 4.39 -1.97 -0.70 114.58 116.31 1ykr h GLU 224 Ca -0.18 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 1ykr h GLU 224 Cb 0.89 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1ykr h GLU 224 CO 0.26 0.02 -0.00 0.28 -1.16 0.00 0.00 179.01 178.41 1ykr h VAL 225 N 0.00 1.26 0.00 3.13 2.07 -1.99 -3.05 116.25 117.66 1ykr h VAL 225 Ca -0.00 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1ykr h VAL 225 Cb 0.07 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1ykr h VAL 225 CO 0.00 0.23 -1.05 1.33 0.02 0.00 0.00 177.57 178.11 1ykr n VAL 226 N -4.82 0.19 -3.26 2.57 0.24 -1.13 -4.68 118.33 107.44 1ykr n VAL 226 Ca -0.06 -0.27 -0.21 0.00 -2.04 0.00 0.00 64.34 61.75 1ykr n VAL 226 Cb 0.20 0.16 -0.08 0.00 -1.47 0.00 0.00 33.84 32.66 1ykr n VAL 226 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1ykr s TRP 227 N -3.22 0.37 0.11 6.34 -0.11 -0.28 -4.18 118.94 117.97 1ykr s TRP 227 Ca 0.03 -1.79 -0.35 0.00 1.22 0.00 0.00 56.10 55.21 1ykr s TRP 227 Cb 0.14 -0.60 -0.15 0.00 -1.50 0.00 0.00 33.47 31.36 1ykr s TRP 227 CO 0.80 -0.94 1.54 -2.30 -4.62 0.00 0.00 176.95 171.44 1ykr n PRO 228 N 3.04 1.85 -0.10 5.86 -0.02 -1.15 -1.26 135.00 143.22 1ykr n PRO 228 Ca 0.25 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1ykr n PRO 228 Cb 0.49 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1ykr n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ykr n GLY 229 N 3.28 1.20 0.34 -1.23 0.00 -1.26 -4.94 105.19 102.57 1ykr n GLY 229 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 1ykr n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ykr h VAL 230 N 0.00 1.15 0.00 1.61 3.04 -1.49 -2.05 116.25 118.51 1ykr h VAL 230 Ca 0.00 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1ykr h VAL 230 Cb 0.00 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 29.50 1ykr h VAL 230 CO 0.00 0.16 0.00 0.35 -1.01 0.00 0.00 177.57 177.07 1ykr n THR 231 N -4.44 0.84 0.32 3.17 -2.24 -1.26 -2.24 114.28 108.42 1ykr n THR 231 Ca 0.07 0.20 0.11 0.00 -2.27 0.00 0.00 64.05 62.17 1ykr n THR 231 Cb 0.06 -0.94 0.20 0.00 -2.10 0.00 0.00 70.33 67.55 1ykr n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ykr n SER 232 N -1.59 3.39 -4.77 3.42 7.64 -0.77 -4.87 113.62 116.08 1ykr n SER 232 Ca 0.04 -1.98 -0.39 0.00 1.01 0.00 0.00 58.87 57.55 1ykr n SER 232 Cb 0.20 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.15 1ykr n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1ykr s MET 233 N -1.47 4.24 0.29 1.43 -1.94 -0.95 -4.93 119.30 115.96 1ykr s MET 233 Ca 0.37 1.90 0.04 0.00 -1.71 0.00 0.00 55.69 56.29 1ykr s MET 233 Cb 0.22 -2.85 0.76 0.00 2.01 0.00 0.00 34.83 34.96 1ykr s MET 233 CO 0.30 -0.18 1.42 -2.30 -0.01 0.00 0.00 175.02 174.25 1ykr n PRO 234 N 0.44 -0.07 -0.38 2.03 -0.02 -1.22 -1.14 135.00 134.65 1ykr n PRO 234 Ca 0.02 1.34 0.08 0.00 -2.02 0.00 0.00 63.50 62.92 1ykr n PRO 234 Cb 0.45 -2.16 0.23 0.00 -0.02 0.00 0.00 33.50 32.00 1ykr n PRO 234 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ykr n ASP 235 N -5.29 3.68 -4.73 2.55 8.00 0.59 -4.98 116.55 116.38 1ykr n ASP 235 Ca 0.23 -2.64 -0.41 0.00 0.71 0.00 0.00 54.79 52.68 1ykr n ASP 235 Cb 0.76 -0.45 -0.04 0.00 -0.02 0.00 0.00 41.12 41.37 1ykr n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1ykr s TYR 236 N -2.16 3.64 -0.12 1.24 5.04 -0.29 -4.93 117.35 119.78 1ykr s TYR 236 Ca 0.37 1.62 0.03 0.00 -2.44 0.00 0.00 57.07 56.65 1ykr s TYR 236 Cb 0.27 -3.22 0.00 0.00 0.35 0.00 0.00 41.96 39.36 1ykr s TYR 236 CO 0.12 -0.42 -0.22 0.15 -1.34 0.00 0.00 175.55 173.84 1ykr s LYS 237 N 0.05 3.07 0.57 4.97 -0.14 -1.26 -4.90 119.74 122.11 1ykr s LYS 237 Ca 0.50 -0.85 0.27 0.00 -1.36 0.00 0.00 55.97 54.53 1ykr s LYS 237 Cb -0.27 -2.38 1.66 0.00 -1.68 0.00 0.00 37.83 35.16 1ykr s LYS 237 CO 0.32 0.12 2.18 -1.35 -0.76 0.00 0.00 175.35 175.86 1ykr h PRO 238 N 6.91 0.00 0.00 -1.68 0.11 -1.96 0.16 132.00 135.55 1ykr h PRO 238 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1ykr h PRO 238 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ykr h PRO 238 CO 0.50 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.16 1ykr n SER 239 N -3.98 0.00 -4.72 -2.05 3.41 -1.26 -4.84 113.62 100.17 1ykr n SER 239 Ca -0.01 -0.72 -0.42 0.00 -0.26 0.00 0.00 58.87 57.46 1ykr n SER 239 Cb 0.18 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.12 1ykr n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ykr n PHE 240 N -0.98 2.61 -1.81 7.33 3.72 0.04 -4.92 117.46 123.46 1ykr n PHE 240 Ca 0.16 0.38 -0.36 0.00 -0.05 0.00 0.00 57.45 57.58 1ykr n PHE 240 Cb 0.07 -2.52 0.06 0.00 -0.94 0.00 0.00 39.48 36.15 1ykr n PHE 240 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1ykr s PRO 241 N -0.99 2.68 -0.61 -1.08 0.02 -1.26 -4.95 135.00 128.81 1ykr s PRO 241 Ca 0.62 1.89 -0.12 0.00 0.02 0.00 0.00 61.00 63.40 1ykr s PRO 241 Cb -0.54 -1.88 0.15 0.00 0.02 0.00 0.00 34.50 32.25 1ykr s PRO 241 CO 0.54 -1.45 0.52 0.15 -0.33 0.00 0.00 177.00 176.42 1ykr s LYS 242 N -3.46 2.96 0.02 5.54 1.02 -1.26 -4.80 119.74 119.76 1ykr s LYS 242 Ca 0.78 -2.01 -0.07 0.00 0.02 0.00 0.00 55.97 54.69 1ykr s LYS 242 Cb -0.32 -4.17 -0.05 0.00 -0.52 0.00 0.00 37.83 32.77 1ykr s LYS 242 CO 0.38 -1.26 0.28 -1.58 -0.92 0.00 0.00 175.35 172.25 1ykr s TRP 243 N 0.97 3.58 0.25 3.18 0.51 -1.26 -4.94 118.94 121.22 1ykr s TRP 243 Ca 0.09 0.59 -0.20 0.00 -2.12 0.00 0.00 56.10 54.46 1ykr s TRP 243 Cb -0.23 -2.00 -0.09 0.00 -0.81 0.00 0.00 33.47 30.34 1ykr s TRP 243 CO -0.02 0.60 0.77 0.00 -0.51 0.00 0.00 176.95 177.78 1ykr s ALA 244 N -1.32 3.37 0.50 0.98 0.00 -1.26 -1.38 121.76 122.64 1ykr s ALA 244 Ca 0.28 0.22 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 1ykr s ALA 244 Cb -0.13 -2.88 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 1ykr s ALA 244 CO 0.17 0.30 1.25 0.50 0.00 0.00 0.00 175.76 177.98 1ykr s ARG 245 N -2.08 3.49 0.23 0.00 3.52 -1.26 -4.35 118.95 118.49 1ykr s ARG 245 Ca 0.45 1.99 0.05 0.00 -0.13 0.00 0.00 55.73 58.09 1ykr s ARG 245 Cb -0.16 -2.35 -0.03 0.00 -1.56 0.00 0.00 34.95 30.84 1ykr s ARG 245 CO 0.21 -0.83 0.31 -0.65 -0.81 0.00 0.00 175.30 173.52 1ykr s GLN 246 N -2.78 3.31 0.26 5.12 -1.52 -0.31 -4.90 119.66 118.84 1ykr s GLN 246 Ca 0.67 -0.80 -0.30 0.00 -1.95 0.00 0.00 55.36 52.98 1ykr s GLN 246 Cb -0.34 -2.82 -0.09 0.00 -0.22 0.00 0.00 33.01 29.54 1ykr s GLN 246 CO 0.41 0.44 1.07 -0.51 -0.25 0.00 0.00 175.29 176.45 1ykr s ASP 247 N -3.82 7.33 0.48 5.90 -0.00 -1.26 -4.89 116.67 120.41 1ykr s ASP 247 Ca 0.34 2.19 0.24 0.00 -0.00 0.00 0.00 52.55 55.32 1ykr s ASP 247 Cb -0.09 -2.62 1.22 0.00 -0.00 0.00 0.00 42.92 41.43 1ykr s ASP 247 CO 0.28 -0.11 1.98 -0.26 -0.00 0.00 0.00 175.17 177.06 1ykr h PHE 248 N 4.09 0.00 0.00 4.23 -1.00 -1.98 -1.88 116.94 120.40 1ykr h PHE 248 Ca -0.46 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.31 1ykr h PHE 248 Cb 1.21 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.77 1ykr h PHE 248 CO 0.60 0.18 -0.05 0.66 -1.61 0.00 0.00 178.31 178.09 1ykr h SER 249 N 0.00 0.00 1.14 2.17 4.64 -1.95 -0.83 113.55 118.72 1ykr h SER 249 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1ykr h SER 249 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1ykr h SER 249 CO 0.02 0.05 -0.88 0.50 -0.87 0.00 0.00 176.83 175.66 1ykr h LYS 250 N 0.00 0.00 0.22 4.77 3.64 -1.74 -3.27 116.57 120.19 1ykr h LYS 250 Ca -0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 1ykr h LYS 250 Cb 0.09 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1ykr h LYS 250 CO 0.01 0.06 -1.53 0.28 -2.27 0.00 0.00 179.45 176.00 1ykr h VAL 251 N 0.00 1.16 -1.03 2.00 2.07 -0.97 -3.41 116.25 116.07 1ykr h VAL 251 Ca -0.02 -2.61 -0.43 0.00 0.82 0.00 0.00 66.70 64.46 1ykr h VAL 251 Cb 1.10 2.95 -0.41 0.00 -1.52 0.00 0.00 31.29 33.41 1ykr h VAL 251 CO 0.01 0.82 -1.01 1.33 0.02 0.00 0.00 177.57 178.74 1ykr n VAL 252 N -3.71 1.61 -2.16 2.57 0.24 -0.67 -4.99 118.33 111.21 1ykr n VAL 252 Ca -0.20 -3.72 -0.34 0.00 -2.04 0.00 0.00 64.34 58.04 1ykr n VAL 252 Cb 1.07 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 33.45 1ykr n VAL 252 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1ykr s PRO 253 N -3.41 3.27 -0.65 7.34 0.04 -1.23 -0.89 135.00 139.46 1ykr s PRO 253 Ca 0.36 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 1ykr s PRO 253 Cb 0.41 -2.00 0.43 0.00 0.04 0.00 0.00 34.50 33.38 1ykr s PRO 253 CO -0.04 -0.90 1.91 -0.35 0.04 0.00 0.00 177.00 177.66 1ykr n PRO 254 N -1.57 2.83 -1.82 0.56 -0.04 -1.26 -4.73 135.00 128.98 1ykr n PRO 254 Ca 0.11 -3.48 -0.41 0.00 -0.04 0.00 0.00 63.50 59.68 1ykr n PRO 254 Cb 0.51 -2.28 -0.02 0.00 -0.04 0.00 0.00 33.50 31.68 1ykr n PRO 254 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ykr s LEU 255 N -3.84 4.35 0.92 1.53 2.96 -0.07 -4.96 118.68 119.56 1ykr s LEU 255 Ca 0.60 2.91 -0.12 0.00 -0.22 0.00 0.00 54.13 57.31 1ykr s LEU 255 Cb 0.48 -3.64 0.14 0.00 0.50 0.00 0.00 46.19 43.68 1ykr s LEU 255 CO -0.09 -0.87 1.09 1.51 -1.32 0.00 0.00 176.35 176.67 1ykr s ASP 256 N 0.40 3.24 0.39 3.68 1.47 -1.26 -4.67 116.67 119.92 1ykr s ASP 256 Ca 0.61 1.49 0.13 0.00 1.18 0.00 0.00 52.55 55.96 1ykr s ASP 256 Cb -0.47 -2.16 0.95 0.00 -0.34 0.00 0.00 42.92 40.90 1ykr s ASP 256 CO 0.49 -2.78 1.89 -0.08 0.68 0.00 0.00 175.17 175.36 1ykr h GLU 257 N -1.65 0.53 -0.45 2.11 4.57 -1.98 0.19 114.58 117.90 1ykr h GLU 257 Ca -0.50 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 57.57 1ykr h GLU 257 Cb 1.29 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 1ykr h GLU 257 CO 0.54 0.35 0.00 -0.44 -1.18 0.00 0.00 179.01 178.28 1ykr h ASP 258 N 0.54 0.79 -0.40 1.04 3.32 -1.98 0.30 116.42 120.03 1ykr h ASP 258 Ca 0.42 -0.31 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 1ykr h ASP 258 Cb 0.82 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1ykr h ASP 258 CO -0.16 0.90 -0.16 1.23 -1.72 0.00 0.00 179.24 179.33 1ykr h GLY 259 N 0.65 0.89 1.01 2.75 0.00 -1.64 -1.20 103.07 105.53 1ykr h GLY 259 Ca 0.13 -0.77 -0.05 0.00 0.00 0.00 0.00 47.33 46.64 1ykr h GLY 259 CO 0.02 0.71 0.20 3.21 0.00 0.00 0.00 176.54 180.68 1ykr h ARG 260 N 0.63 0.95 0.25 4.80 3.08 -0.84 0.12 114.38 123.37 1ykr h ARG 260 Ca 0.09 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1ykr h ARG 260 Cb 0.70 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1ykr h ARG 260 CO 0.05 0.83 -0.12 1.03 -1.07 0.00 0.00 179.97 180.69 1ykr h SER 261 N 0.87 -0.29 -0.36 7.04 0.87 -0.32 0.51 113.55 121.88 1ykr h SER 261 Ca 0.20 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.79 1ykr h SER 261 Cb 0.27 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 1ykr h SER 261 CO -0.01 -0.19 0.17 0.25 -0.53 0.00 0.00 176.83 176.51 1ykr h LEU 262 N -0.35 0.23 -0.87 2.23 5.85 -1.02 -2.15 115.31 119.23 1ykr h LEU 262 Ca -0.03 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1ykr h LEU 262 Cb 0.27 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1ykr h LEU 262 CO 0.06 0.17 0.56 0.25 -0.34 0.00 0.00 178.44 179.14 1ykr h LEU 263 N 0.34 0.91 -1.07 2.25 5.85 -0.55 -1.61 115.31 121.44 1ykr h LEU 263 Ca 0.15 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1ykr h LEU 263 Cb 0.08 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 1ykr h LEU 263 CO -0.12 0.62 0.63 0.28 -0.34 0.00 0.00 178.44 179.51 1ykr h SER 264 N 1.06 1.02 0.88 1.25 0.02 -0.27 -0.78 113.55 116.74 1ykr h SER 264 Ca 0.35 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.20 1ykr h SER 264 Cb 0.05 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1ykr h SER 264 CO -0.13 0.68 -0.48 1.56 -1.14 0.00 0.00 176.83 177.32 1ykr h GLN 265 N 1.17 0.00 0.00 3.45 4.20 -0.90 -2.64 115.11 120.39 1ykr h GLN 265 Ca 0.40 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.11 1ykr h GLN 265 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1ykr h GLN 265 CO -0.14 0.48 0.00 0.52 -0.67 0.00 0.00 178.83 179.02 1ykr h MET 266 N 0.00 0.00 -0.32 1.46 2.86 -0.31 -1.71 114.93 116.91 1ykr h MET 266 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ykr h MET 266 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1ykr h MET 266 CO 0.06 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.31 1ykr n LEU 267 N -2.92 4.02 -4.76 1.22 4.77 -0.42 -3.85 117.00 115.06 1ykr n LEU 267 Ca 0.04 -2.87 -0.41 0.00 -0.03 0.00 0.00 56.01 52.74 1ykr n LEU 267 Cb 0.46 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 1ykr n LEU 267 CO 0.32 0.68 1.10 -1.00 -1.33 0.00 0.00 177.39 177.16 1ykr s HIS 268 N -2.57 2.86 0.07 -1.77 3.76 -1.05 -4.93 115.29 111.66 1ykr s HIS 268 Ca 0.42 1.14 -0.29 0.00 -0.15 0.00 0.00 55.06 56.18 1ykr s HIS 268 Cb 0.32 -3.88 -0.17 0.00 1.11 0.00 0.00 32.58 29.96 1ykr s HIS 268 CO 0.11 -2.67 1.62 1.88 -0.85 0.00 0.00 174.74 174.83 1ykr h TYR 269 N 3.96 -0.50 -2.42 1.40 0.05 -1.92 -3.42 116.97 114.12 1ykr h TYR 269 Ca -0.48 -0.01 -0.58 0.00 0.05 0.00 0.00 58.73 57.71 1ykr h TYR 269 Cb 1.23 0.17 -0.01 0.00 1.01 0.00 0.00 36.73 39.12 1ykr h TYR 269 CO 0.57 -0.29 1.33 0.34 -1.05 0.00 0.00 178.16 179.06 1ykr s ASP 270 N -4.74 5.85 0.54 3.88 -1.08 -1.26 -4.85 116.67 115.01 1ykr s ASP 270 Ca -0.16 1.67 0.29 0.00 -0.52 0.00 0.00 52.55 53.83 1ykr s ASP 270 Cb 0.04 -2.52 1.45 0.00 -1.46 0.00 0.00 42.92 40.43 1ykr s ASP 270 CO 0.63 -1.68 1.93 -0.65 0.52 0.00 0.00 175.17 175.92 1ykr h PRO 271 N 13.18 0.00 0.00 4.34 0.11 -1.95 0.27 132.00 147.95 1ykr h PRO 271 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1ykr h PRO 271 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ykr h PRO 271 CO 0.99 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.87 1ykr h ASN 272 N 0.00 0.00 0.12 -2.05 2.35 -1.95 -3.16 115.58 110.89 1ykr h ASN 272 Ca 0.33 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.96 1ykr h ASN 272 Cb 1.38 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.72 1ykr h ASN 272 CO -0.00 0.00 -2.01 0.29 -1.65 0.00 0.00 177.43 174.06 1ykr n LYS 273 N -2.51 0.66 -1.71 0.81 5.02 0.80 -4.95 118.16 116.28 1ykr n LYS 273 Ca 0.05 -0.08 -0.43 0.00 -2.02 0.00 0.00 58.31 55.82 1ykr n LYS 273 Cb 0.44 -1.56 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 1ykr n LYS 273 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1ykr n ARG 274 N -2.49 2.39 -1.95 1.97 0.63 -0.27 -4.91 116.66 112.04 1ykr n ARG 274 Ca -0.13 0.85 -0.39 0.00 -0.92 0.00 0.00 57.85 57.26 1ykr n ARG 274 Cb 0.77 -2.57 0.01 0.00 0.45 0.00 0.00 32.46 31.12 1ykr n ARG 274 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1ykr s ILE 275 N -0.07 2.39 0.56 5.15 2.07 -0.64 -5.00 121.20 125.66 1ykr s ILE 275 Ca 0.65 0.35 -0.08 0.00 -1.41 0.00 0.00 60.65 60.16 1ykr s ILE 275 Cb -0.57 -3.20 -0.03 0.00 0.13 0.00 0.00 42.46 38.80 1ykr s ILE 275 CO 0.49 0.04 0.91 -0.94 -1.91 0.00 0.00 174.94 173.54 1ykr s SER 276 N -0.70 6.09 0.19 4.50 1.04 -1.26 -4.87 113.70 118.70 1ykr s SER 276 Ca 0.60 1.09 -0.12 0.00 0.48 0.00 0.00 55.95 58.00 1ykr s SER 276 Cb -0.40 -2.23 0.12 0.00 0.10 0.00 0.00 66.02 63.62 1ykr s SER 276 CO 0.51 -0.81 1.85 0.00 0.98 0.00 0.00 173.24 175.77 1ykr h ALA 277 N -0.10 0.82 -0.37 5.32 0.00 -1.93 0.27 119.26 123.27 1ykr h ALA 277 Ca -0.45 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1ykr h ALA 277 Cb 1.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1ykr h ALA 277 CO 0.62 0.22 0.19 1.57 0.00 0.00 0.00 179.25 181.84 1ykr h LYS 278 N 0.84 0.53 -0.64 0.00 2.10 -1.92 -1.76 116.57 115.72 1ykr h LYS 278 Ca 0.24 -0.07 -0.08 0.00 -2.00 0.00 0.00 60.65 58.73 1ykr h LYS 278 Cb -0.07 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 31.14 1ykr h LYS 278 CO -0.06 0.46 0.07 0.00 -2.00 0.00 0.00 179.45 177.92 1ykr h ALA 279 N 1.04 0.92 -0.68 0.07 0.00 -1.89 -2.71 119.26 116.01 1ykr h ALA 279 Ca 0.13 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ykr h ALA 279 Cb 0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1ykr h ALA 279 CO -0.02 0.66 0.45 0.00 0.00 0.00 0.00 179.25 180.34 1ykr h ALA 280 N 1.07 1.57 0.00 0.00 0.00 -0.61 -1.40 119.26 119.90 1ykr h ALA 280 Ca 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ykr h ALA 280 Cb 0.47 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ykr h ALA 280 CO 0.02 0.38 -0.00 -0.07 0.00 0.00 0.00 179.25 179.57 1ykr h LEU 281 N 0.87 0.00 -1.84 0.00 3.38 -0.98 -0.74 115.31 115.99 1ykr h LEU 281 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1ykr h LEU 281 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ykr h LEU 281 CO -0.07 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.47 1ykr n ALA 282 N -2.19 2.47 -1.77 1.53 0.00 -0.53 -4.86 120.51 115.16 1ykr n ALA 282 Ca -0.03 -0.76 -0.40 0.00 0.00 0.00 0.00 53.44 52.24 1ykr n ALA 282 Cb 0.08 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 1ykr n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ykr s HIS 283 N -1.74 2.75 0.60 0.00 5.04 -0.29 -4.87 115.29 116.78 1ykr s HIS 283 Ca 0.34 1.32 0.29 0.00 -1.54 0.00 0.00 55.06 55.47 1ykr s HIS 283 Cb 0.21 -3.82 1.52 0.00 0.04 0.00 0.00 32.58 30.53 1ykr s HIS 283 CO 0.30 -2.44 1.93 -1.35 -2.34 0.00 0.00 174.74 170.84 1ykr h PRO 284 N 2.90 0.00 -0.25 2.88 0.11 -1.93 -0.50 132.00 135.21 1ykr h PRO 284 Ca -0.50 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.68 1ykr h PRO 284 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1ykr h PRO 284 CO 0.64 0.00 0.23 0.35 -0.21 0.00 0.00 178.00 179.01 1ykr h PHE 285 N 0.00 0.00 -0.56 0.65 3.57 -1.90 -1.23 116.94 117.47 1ykr h PHE 285 Ca 0.16 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1ykr h PHE 285 Cb 1.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1ykr h PHE 285 CO 0.00 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.27 1ykr n PHE 286 N -4.02 0.75 0.24 0.41 3.72 -0.20 -4.42 117.46 113.94 1ykr n PHE 286 Ca 0.03 -0.37 0.07 0.00 -0.05 0.00 0.00 57.45 57.13 1ykr n PHE 286 Cb 0.38 0.00 0.58 0.00 -0.94 0.00 0.00 39.48 39.50 1ykr n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1ykr h GLN 287 N 3.81 0.01 -0.24 -1.08 5.75 -1.36 -2.69 115.11 119.32 1ykr h GLN 287 Ca 0.00 -0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.38 1ykr h GLN 287 Cb 0.86 -0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.34 1ykr h GLN 287 CO 0.00 0.08 -0.20 -0.40 -2.65 0.00 0.00 178.83 175.66 1ykr n ASP 288 N -4.45 2.29 -4.76 -0.69 5.75 -1.26 -5.04 116.55 108.38 1ykr n ASP 288 Ca -0.03 -3.77 -0.37 0.00 -0.01 0.00 0.00 54.79 50.61 1ykr n ASP 288 Cb 0.15 -0.60 0.01 0.00 -1.03 0.00 0.00 41.12 39.65 1ykr n ASP 288 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ykr s VAL 289 N -3.22 2.83 0.32 2.12 1.01 -1.02 -5.03 120.40 117.41 1ykr s VAL 289 Ca 0.42 0.62 0.06 0.00 0.00 0.00 0.00 61.98 63.08 1ykr s VAL 289 Cb 0.39 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1ykr s VAL 289 CO -0.02 -0.01 0.27 0.42 0.00 0.00 0.00 175.10 175.76 1ykr s THR 290 N -1.49 0.00 -0.59 3.92 -4.23 -1.26 -5.10 115.64 106.89 1ykr s THR 290 Ca 0.66 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 59.23 1ykr s THR 290 Cb -0.31 -2.50 0.16 0.00 1.34 0.00 0.00 72.50 71.18 1ykr s THR 290 CO 0.38 0.00 0.40 -0.75 -0.54 0.00 0.00 174.62 174.11 1ykr s LYS 291 N -3.50 1.94 0.95 3.99 2.20 -1.26 -4.36 119.74 119.69 1ykr s LYS 291 Ca 0.40 -2.84 -0.12 0.00 -0.36 0.00 0.00 55.97 53.05 1ykr s LYS 291 Cb 0.03 -2.86 0.16 0.00 -1.51 0.00 0.00 37.83 33.65 1ykr s LYS 291 CO 0.26 -1.27 1.09 -2.14 -0.36 0.00 0.00 175.35 172.93 1ykr s PRO 292 N -0.79 0.84 -0.16 4.03 0.02 -1.26 -4.98 135.00 132.71 1ykr s PRO 292 Ca 0.25 0.67 -0.05 0.00 0.02 0.00 0.00 61.00 61.88 1ykr s PRO 292 Cb -0.08 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 1ykr s PRO 292 CO -0.13 -2.49 0.02 0.14 -0.33 0.00 0.00 177.00 174.21 1ykr s VAL 293 N -2.95 4.43 0.65 3.83 -7.23 -1.26 -4.44 120.40 113.43 1ykr s VAL 293 Ca 0.64 -0.17 -0.11 0.00 -1.81 0.00 0.00 61.98 60.54 1ykr s VAL 293 Cb -0.18 -2.96 -0.02 0.00 0.56 0.00 0.00 36.38 33.78 1ykr s VAL 293 CO 0.57 0.50 1.04 -2.16 -0.31 0.00 0.00 175.10 174.74 1ykr s PRO 294 N 0.16 3.32 -0.70 4.82 0.04 -1.26 -4.99 135.00 136.38 1ykr s PRO 294 Ca 0.02 0.62 -0.18 0.00 0.04 0.00 0.00 61.00 61.50 1ykr s PRO 294 Cb -0.13 -2.07 0.14 0.00 0.04 0.00 0.00 34.50 32.48 1ykr s PRO 294 CO 0.01 -0.73 0.78 -1.58 0.04 0.00 0.00 177.00 175.53 1ykr s HIS 295 N -3.23 3.21 -0.11 0.56 2.46 -1.26 -4.98 115.29 111.94 1ykr s HIS 295 Ca 0.56 -1.29 -0.04 0.00 0.47 0.00 0.00 55.06 54.75 1ykr s HIS 295 Cb -0.11 -4.00 -0.04 0.00 -0.13 0.00 0.00 32.58 28.30 1ykr s HIS 295 CO 0.53 -1.24 0.06 -0.51 -2.47 0.00 0.00 174.74 171.10 1ykr s LEU 296 N 2.04 3.88 -0.36 8.88 1.43 -1.26 -5.07 118.68 128.22 1ykr s LEU 296 Ca 0.16 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1ykr s LEU 296 Cb -0.18 -1.92 0.09 0.00 0.03 0.00 0.00 46.19 44.21 1ykr s LEU 296 CO -0.00 0.35 0.10 -0.60 0.23 0.00 0.00 176.35 176.43 1ykr s ARG 297 N -0.71 2.00 0.00 1.70 3.00 -1.26 -5.12 118.95 118.56 1ykr s ARG 297 Ca 0.12 -1.68 0.26 0.00 -1.00 0.00 0.00 55.73 53.43 1ykr s ARG 297 Cb -0.12 -3.37 0.56 0.00 0.00 0.00 0.00 34.95 32.03 1ykr s ARG 297 CO 0.02 -0.91 1.47 1.28 0.00 0.00 0.00 175.30 177.17