#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kda s GLU 26 N 0.00 0.77 0.36 0.00 0.41 -1.26 -5.04 118.70 113.94 3kda s GLU 26 Ca 0.00 -0.31 0.15 0.00 -0.41 0.00 0.00 54.97 54.40 3kda s GLU 26 Cb 0.00 -0.74 0.67 0.00 -1.78 0.00 0.00 34.13 32.28 3kda s GLU 26 CO 0.00 0.17 1.76 0.93 -0.49 0.00 0.00 175.26 177.63 3kda h GLU 27 N 6.06 0.00 -4.05 1.61 5.08 -2.00 -3.45 114.58 117.83 3kda h GLU 27 Ca -0.31 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.85 3kda h GLU 27 Cb 1.18 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.21 3kda h GLU 27 CO 0.49 0.42 -0.71 -0.06 -1.00 0.00 0.00 179.01 178.16 3kda s PHE 28 N -3.86 0.30 0.10 4.33 0.08 -1.26 -4.98 117.98 112.69 3kda s PHE 28 Ca -0.02 -0.44 -0.31 0.00 0.12 0.00 0.00 56.93 56.28 3kda s PHE 28 Cb 0.13 -0.20 -0.09 0.00 -0.57 0.00 0.00 43.02 42.29 3kda s PHE 28 CO 0.71 -0.14 1.58 -2.14 -0.10 0.00 0.00 175.22 175.13 3kda s PRO 29 N -1.25 4.22 -0.00 0.24 0.02 -1.26 -4.98 135.00 131.99 3kda s PRO 29 Ca -0.12 2.28 -0.27 0.00 0.02 0.00 0.00 61.00 62.91 3kda s PRO 29 Cb -0.08 -3.41 -0.04 0.00 0.02 0.00 0.00 34.50 30.98 3kda s PRO 29 CO -0.01 -0.65 0.86 0.08 -0.33 0.00 0.00 177.00 176.95 3kda s VAL 30 N 1.96 4.86 0.64 3.83 1.01 -1.26 -5.03 120.40 126.42 3kda s VAL 30 Ca 0.71 1.80 -0.17 0.00 0.00 0.00 0.00 61.98 64.32 3kda s VAL 30 Cb -0.40 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 31.77 3kda s VAL 30 CO 0.31 0.24 1.21 -2.84 0.00 0.00 0.00 175.10 174.02 3kda s PRO 31 N 0.67 2.67 0.32 2.72 0.02 -1.26 -4.93 135.00 135.21 3kda s PRO 31 Ca 0.45 1.79 -0.29 0.00 0.02 0.00 0.00 61.00 62.97 3kda s PRO 31 Cb -0.20 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.30 3kda s PRO 31 CO 0.24 -1.43 1.39 -1.71 -0.33 0.00 0.00 177.00 175.17 3kda n ASN 32 N -2.03 3.09 0.00 2.53 5.15 -1.26 -1.95 115.26 120.79 3kda n ASN 32 Ca 0.13 1.19 0.00 0.00 -0.60 0.00 0.00 54.58 55.30 3kda n ASN 32 Cb 0.50 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.24 3kda n ASN 32 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kda n GLY 33 N 1.24 1.08 3.69 8.20 0.00 -1.26 -5.00 105.19 113.13 3kda n GLY 33 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 3kda n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kda s PHE 34 N -3.16 2.85 0.00 1.61 0.40 -0.82 -4.41 117.98 114.44 3kda s PHE 34 Ca 0.00 -0.16 0.05 0.00 -0.60 0.00 0.00 56.93 56.23 3kda s PHE 34 Cb 0.00 -1.33 -0.02 0.00 0.51 0.00 0.00 43.02 42.19 3kda s PHE 34 CO 0.00 0.55 -0.17 -1.21 0.70 0.00 0.00 175.22 175.09 3kda s GLU 35 N -3.32 1.34 -0.11 0.44 2.02 0.21 -4.84 118.70 114.43 3kda s GLU 35 Ca 0.30 -0.67 -0.17 0.00 0.02 0.00 0.00 54.97 54.45 3kda s GLU 35 Cb -0.08 -1.32 -0.04 0.00 0.10 0.00 0.00 34.13 32.78 3kda s GLU 35 CO 0.20 0.36 0.43 0.45 0.02 0.00 0.00 175.26 176.72 3kda s SER 36 N -0.58 6.65 0.38 -0.19 0.15 -1.26 -1.03 113.70 117.82 3kda s SER 36 Ca 0.06 0.78 -0.10 0.00 0.70 0.00 0.00 55.95 57.39 3kda s SER 36 Cb -0.07 -2.26 0.04 0.00 -1.71 0.00 0.00 66.02 62.01 3kda s SER 36 CO -0.00 0.06 0.67 0.00 1.20 0.00 0.00 173.24 175.17 3kda s ALA 37 N 0.37 -0.07 0.02 5.45 0.00 -0.55 -5.02 121.76 121.97 3kda s ALA 37 Ca 0.24 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3kda s ALA 37 Cb -0.15 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 3kda s ALA 37 CO 0.09 -0.90 -0.04 0.71 0.00 0.00 0.00 175.76 175.62 3kda s TYR 38 N -2.52 0.38 0.01 0.00 1.51 -1.26 -1.49 117.35 113.97 3kda s TYR 38 Ca 0.22 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 3kda s TYR 38 Cb -0.03 -0.25 -0.01 0.00 -0.11 0.00 0.00 41.96 41.56 3kda s TYR 38 CO 0.16 -0.11 -0.03 1.03 -1.11 0.00 0.00 175.55 175.49 3kda s ARG 39 N -1.17 0.23 0.07 -0.62 1.81 -0.65 -4.97 118.95 113.65 3kda s ARG 39 Ca -0.10 -0.22 -0.29 0.00 -1.72 0.00 0.00 55.73 53.39 3kda s ARG 39 Cb -0.08 -0.15 -0.05 0.00 -0.45 0.00 0.00 34.95 34.22 3kda s ARG 39 CO -0.00 0.03 0.95 -1.21 -0.68 0.00 0.00 175.30 174.39 3kda s GLU 40 N -0.40 4.64 -0.13 3.54 0.41 -1.26 -0.92 118.70 124.58 3kda s GLU 40 Ca -0.03 1.40 -0.01 0.00 -0.41 0.00 0.00 54.97 55.92 3kda s GLU 40 Cb -0.03 -3.40 0.04 0.00 -1.78 0.00 0.00 34.13 28.96 3kda s GLU 40 CO -0.00 0.14 -0.01 0.08 -0.49 0.00 0.00 175.26 174.98 3kda s VAL 41 N 0.30 0.65 -1.56 2.63 1.01 -0.02 -4.81 120.40 118.60 3kda s VAL 41 Ca 0.47 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 3kda s VAL 41 Cb -0.22 -0.89 0.08 0.00 0.00 0.00 0.00 36.38 35.35 3kda s VAL 41 CO 0.29 0.11 0.66 0.47 0.00 0.00 0.00 175.10 176.63 3kda n ASP 42 N 5.04 -2.25 0.00 3.32 8.00 -1.26 -1.16 116.55 128.24 3kda n ASP 42 Ca -0.09 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.43 3kda n ASP 42 Cb 0.49 -3.02 0.00 0.00 -0.02 0.00 0.00 41.12 38.56 3kda n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kda n GLY 43 N -1.68 0.50 3.28 0.44 0.00 -1.26 -4.91 105.19 101.57 3kda n GLY 43 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 3kda n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kda s VAL 44 N -2.13 2.72 -0.50 1.61 1.01 -0.30 -4.99 120.40 117.83 3kda s VAL 44 Ca 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 60.97 3kda s VAL 44 Cb 0.00 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.27 3kda s VAL 44 CO 0.00 0.52 0.98 -0.75 0.00 0.00 0.00 175.10 175.84 3kda s LYS 45 N 0.71 3.50 -0.15 2.72 2.20 -1.26 -0.84 119.74 126.63 3kda s LYS 45 Ca -0.07 0.11 -0.09 0.00 -0.36 0.00 0.00 55.97 55.56 3kda s LYS 45 Cb -0.16 -3.96 -0.05 0.00 -1.51 0.00 0.00 37.83 32.16 3kda s LYS 45 CO 0.01 -1.35 0.17 -0.51 -0.36 0.00 0.00 175.35 173.32 3kda s LEU 46 N 4.00 4.31 0.12 5.43 1.43 -0.09 -1.03 118.68 132.84 3kda s LEU 46 Ca 0.37 0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 53.77 3kda s LEU 46 Cb -0.10 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 43.90 3kda s LEU 46 CO 0.25 0.28 0.49 -2.28 0.23 0.00 0.00 176.35 175.33 3kda s HIS 47 N -0.34 3.60 0.17 0.29 5.65 -1.26 -1.63 115.29 121.76 3kda s HIS 47 Ca 0.13 0.96 -0.16 0.00 0.25 0.00 0.00 55.06 56.24 3kda s HIS 47 Cb -0.12 -2.29 0.03 0.00 -1.18 0.00 0.00 32.58 29.01 3kda s HIS 47 CO 0.02 0.47 0.46 1.52 -0.65 0.00 0.00 174.74 176.56 3kda s TYR 48 N -1.43 -0.08 -0.09 3.88 1.13 -0.56 -0.85 117.35 119.35 3kda s TYR 48 Ca 0.36 -0.25 0.04 0.00 -1.41 0.00 0.00 57.07 55.81 3kda s TYR 48 Cb -0.15 0.30 -0.00 0.00 -1.10 0.00 0.00 41.96 41.01 3kda s TYR 48 CO 0.19 -0.83 -0.23 0.08 -2.51 0.00 0.00 175.55 172.25 3kda s VAL 49 N -3.86 1.99 0.01 -3.49 1.01 -0.55 -1.47 120.40 114.03 3kda s VAL 49 Ca 0.08 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3kda s VAL 49 Cb 0.00 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3kda s VAL 49 CO -0.05 0.55 -0.05 -0.75 0.00 0.00 0.00 175.10 174.80 3kda s LYS 50 N 0.26 0.37 0.11 2.72 2.20 -0.19 -0.83 119.74 124.37 3kda s LYS 50 Ca -0.16 -0.30 -0.26 0.00 -0.36 0.00 0.00 55.97 54.89 3kda s LYS 50 Cb -0.17 -0.28 0.08 0.00 -1.51 0.00 0.00 37.83 35.94 3kda s LYS 50 CO 0.08 0.07 0.98 0.20 -0.36 0.00 0.00 175.35 176.32 3kda s GLY 51 N -0.50 -0.29 0.00 5.54 0.00 -0.55 -0.62 107.32 110.91 3kda s GLY 51 Ca -0.02 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.04 3kda s GLY 51 CO -0.00 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.78 3kda n GLY 52 N -0.43 -3.49 3.23 0.20 0.00 -1.26 0.01 105.19 103.44 3kda n GLY 52 Ca -0.07 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.83 3kda n GLY 52 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kda s GLN 53 N -0.73 0.84 0.00 1.61 -2.07 -1.02 -4.59 119.66 113.70 3kda s GLN 53 Ca 0.00 -0.74 0.00 0.00 -1.82 0.00 0.00 55.36 52.80 3kda s GLN 53 Cb 0.00 0.35 0.00 0.00 -1.09 0.00 0.00 33.01 32.27 3kda s GLN 53 CO 0.00 -0.27 0.00 0.41 -1.32 0.00 0.00 175.29 174.11 3kda n GLY 54 N 0.23 -0.47 3.63 2.60 0.00 -1.26 -2.55 105.19 107.37 3kda n GLY 54 Ca -0.17 -2.22 -0.37 0.00 0.00 0.00 0.00 46.02 43.27 3kda n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kda n PRO 55 N 0.00 0.72 -2.89 1.61 -0.02 -1.26 -3.13 135.00 130.03 3kda n PRO 55 Ca 0.00 0.30 -0.40 0.00 -2.02 0.00 0.00 63.50 61.38 3kda n PRO 55 Cb 0.00 -2.23 -0.05 0.00 -0.02 0.00 0.00 33.50 31.20 3kda n PRO 55 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kda s LEU 56 N -2.81 4.50 -0.14 2.45 2.96 -1.26 -0.94 118.68 123.44 3kda s LEU 56 Ca 0.76 1.61 0.02 0.00 -0.22 0.00 0.00 54.13 56.30 3kda s LEU 56 Cb -0.38 -3.37 0.01 0.00 0.50 0.00 0.00 46.19 42.96 3kda s LEU 56 CO 0.47 0.02 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.65 3kda s VAL 57 N -0.25 1.86 -0.20 1.68 1.01 0.51 -0.84 120.40 124.17 3kda s VAL 57 Ca 0.41 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 3kda s VAL 57 Cb -0.22 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 3kda s VAL 57 CO 0.26 0.51 0.12 -0.32 0.00 0.00 0.00 175.10 175.67 3kda s MET 58 N 0.98 4.16 -0.19 2.72 1.75 0.08 -1.39 119.30 127.41 3kda s MET 58 Ca -0.04 -0.24 -0.03 0.00 -1.25 0.00 0.00 55.69 54.13 3kda s MET 58 Cb -0.15 -3.39 -0.01 0.00 2.84 0.00 0.00 34.83 34.12 3kda s MET 58 CO -0.04 0.30 -0.06 -0.51 -0.65 0.00 0.00 175.02 174.06 3kda s LEU 59 N 0.36 2.93 -0.20 4.11 1.43 -0.22 -0.86 118.68 126.23 3kda s LEU 59 Ca 0.07 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3kda s LEU 59 Cb -0.11 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.42 3kda s LEU 59 CO -0.02 0.06 -0.18 -0.69 0.23 0.00 0.00 176.35 175.75 3kda s VAL 60 N 1.02 2.08 1.02 -1.59 1.01 0.52 -3.72 120.40 120.74 3kda s VAL 60 Ca 0.00 -1.12 -0.16 0.00 0.00 0.00 0.00 61.98 60.70 3kda s VAL 60 Cb -0.15 -1.97 0.21 0.00 0.00 0.00 0.00 36.38 34.48 3kda s VAL 60 CO -0.00 0.39 1.24 -1.38 0.00 0.00 0.00 175.10 175.35 3kda s HIS 61 N 1.24 1.44 0.00 5.22 -3.43 -1.26 -1.57 115.29 116.93 3kda s HIS 61 Ca 0.01 0.44 0.00 0.00 -0.80 0.00 0.00 55.06 54.72 3kda s HIS 61 Cb -0.15 -3.83 0.00 0.00 -1.43 0.00 0.00 32.58 27.17 3kda s HIS 61 CO -0.11 -2.93 0.00 0.41 -2.00 0.00 0.00 174.74 170.11 3kda n GLY 62 N -2.80 6.43 3.77 -1.38 0.00 -1.20 -2.73 105.19 107.29 3kda n GLY 62 Ca 0.13 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 3kda n GLY 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kda s PHE 63 N 0.50 2.72 0.00 1.61 5.36 -1.26 -2.67 117.98 124.23 3kda s PHE 63 Ca 0.00 1.35 0.00 0.00 -0.96 0.00 0.00 56.93 57.32 3kda s PHE 63 Cb 0.00 -3.76 0.00 0.00 -0.34 0.00 0.00 43.02 38.92 3kda s PHE 63 CO 0.00 -2.37 0.00 0.41 -1.46 0.00 0.00 175.22 171.80 3kda n GLY 64 N 0.64 1.77 0.24 13.12 0.00 -1.26 -4.96 105.19 114.74 3kda n GLY 64 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 3kda n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kda n GLN 65 N -2.00 0.46 -1.85 1.61 6.02 -1.09 -4.84 117.38 115.69 3kda n GLN 65 Ca 0.00 -0.25 -0.02 0.00 -0.01 0.00 0.00 57.00 56.72 3kda n GLN 65 Cb 0.00 0.17 -0.00 0.00 1.02 0.00 0.00 30.24 31.43 3kda n GLN 65 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3kda n THR 66 N -0.06 0.00 -0.30 5.09 -2.24 -1.26 -4.71 114.28 110.81 3kda n THR 66 Ca 0.00 -0.22 0.34 0.00 -2.27 0.00 0.00 64.05 61.90 3kda n THR 66 Cb 0.05 0.14 0.74 0.00 -2.10 0.00 0.00 70.33 69.15 3kda n THR 66 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 3kda h TRP 67 N 1.13 0.03 0.00 4.78 5.08 -1.86 -2.19 115.95 122.91 3kda h TRP 67 Ca -0.03 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.94 3kda h TRP 67 Cb 0.15 -0.01 -0.00 0.00 -3.00 0.00 0.00 29.16 26.30 3kda h TRP 67 CO 0.00 0.00 -0.01 -0.92 -1.28 0.00 0.00 178.44 176.23 3kda h TYR 68 N 0.02 0.00 0.00 0.12 3.20 -1.94 -1.46 116.97 116.91 3kda h TYR 68 Ca 0.54 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.41 3kda h TYR 68 Cb 2.14 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.41 3kda h TYR 68 CO -0.00 0.01 -0.00 1.05 -1.64 0.00 0.00 178.16 177.57 3kda h GLU 69 N 0.00 0.00 -0.25 1.82 4.11 -1.80 -0.89 114.58 117.57 3kda h GLU 69 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kda h GLU 69 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3kda h GLU 69 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 179.01 180.00 3kda n TRP 70 N -3.14 0.32 0.30 2.06 7.02 -0.55 -4.54 117.44 118.91 3kda n TRP 70 Ca -0.02 -0.16 0.19 0.00 -1.02 0.00 0.00 57.50 56.48 3kda n TRP 70 Cb 0.12 0.00 0.85 0.00 -2.42 0.00 0.00 31.31 29.86 3kda n TRP 70 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 3kda h HIS 71 N 2.61 0.00 0.11 -5.99 2.07 -1.31 -0.56 115.15 112.08 3kda h HIS 71 Ca 0.00 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.21 3kda h HIS 71 Cb 0.58 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.55 3kda h HIS 71 CO 0.16 0.01 -1.56 1.96 -3.07 0.00 0.00 177.93 175.43 3kda h GLN 72 N 0.00 0.24 -0.15 5.12 4.20 -1.82 -3.34 115.11 119.36 3kda h GLN 72 Ca -0.00 -0.41 -0.16 0.00 0.06 0.00 0.00 58.65 58.14 3kda h GLN 72 Cb 0.36 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3kda h GLN 72 CO 0.00 1.09 -0.58 1.25 -0.67 0.00 0.00 178.83 179.93 3kda h LEU 73 N 0.07 0.53 -0.07 1.46 5.85 -1.70 -3.38 115.31 118.06 3kda h LEU 73 Ca -0.25 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.21 3kda h LEU 73 Cb 2.02 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.85 3kda h LEU 73 CO 0.15 0.99 -0.20 0.24 -0.34 0.00 0.00 178.44 179.29 3kda h MET 74 N 0.36 -0.28 -0.58 1.25 2.86 -1.25 -1.03 114.93 116.27 3kda h MET 74 Ca 0.00 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3kda h MET 74 Cb 1.11 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.81 3kda h MET 74 CO 0.10 -0.18 0.33 -1.35 1.06 0.00 0.00 176.91 176.87 3kda h PRO 75 N -0.29 0.79 -0.11 -0.22 0.11 -1.76 0.28 132.00 130.80 3kda h PRO 75 Ca 0.08 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 3kda h PRO 75 Cb 0.40 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 3kda h PRO 75 CO -0.23 0.57 -0.16 0.93 -0.21 0.00 0.00 178.00 178.89 3kda h GLU 76 N 0.80 0.31 -0.15 1.05 5.08 -1.65 -3.15 114.58 116.87 3kda h GLU 76 Ca 0.21 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3kda h GLU 76 Cb -0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3kda h GLU 76 CO -0.04 0.75 -0.16 1.25 -1.00 0.00 0.00 179.01 179.82 3kda h LEU 77 N -0.10 0.22 -0.16 1.33 5.85 -0.93 -2.73 115.31 118.79 3kda h LEU 77 Ca 0.01 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3kda h LEU 77 Cb 0.72 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3kda h LEU 77 CO 0.04 0.41 0.00 0.00 -0.34 0.00 0.00 178.44 178.54 3kda n ALA 78 N -2.49 1.54 0.35 1.25 0.00 0.06 -1.55 120.51 119.68 3kda n ALA 78 Ca -0.01 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.57 3kda n ALA 78 Cb 0.29 -1.23 0.54 0.00 0.00 0.00 0.00 19.45 19.05 3kda n ALA 78 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kda h LYS 79 N 0.00 0.00 0.00 0.00 1.57 -1.53 -3.33 116.57 113.28 3kda h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kda h LYS 79 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3kda h LYS 79 CO 0.00 0.00 -0.42 0.54 -0.57 0.00 0.00 179.45 179.00 3kda n ARG 80 N -2.70 2.95 -4.13 3.15 1.74 -0.76 -4.71 116.66 112.21 3kda n ARG 80 Ca 0.02 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.01 3kda n ARG 80 Cb 0.31 -0.65 -0.10 0.00 -1.02 0.00 0.00 32.46 31.00 3kda n ARG 80 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kda s PHE 81 N -1.02 0.70 -0.08 -1.55 0.08 -0.60 0.05 117.98 115.56 3kda s PHE 81 Ca 0.00 -0.97 -0.27 0.00 0.12 0.00 0.00 56.93 55.80 3kda s PHE 81 Cb 0.00 -0.45 -0.02 0.00 -0.57 0.00 0.00 43.02 41.98 3kda s PHE 81 CO 0.00 -0.26 0.90 0.99 -0.10 0.00 0.00 175.22 176.75 3kda s THR 82 N -3.67 4.88 -0.12 0.64 2.01 -0.11 -2.43 115.64 116.84 3kda s THR 82 Ca 0.08 1.84 0.02 0.00 0.31 0.00 0.00 61.69 63.94 3kda s THR 82 Cb 0.06 -4.22 -0.00 0.00 0.01 0.00 0.00 72.50 68.34 3kda s THR 82 CO -0.07 0.10 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.09 3kda s VAL 83 N 1.53 2.52 -0.08 3.82 1.01 0.10 -0.36 120.40 128.94 3kda s VAL 83 Ca 0.45 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3kda s VAL 83 Cb -0.19 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.18 3kda s VAL 83 CO 0.19 0.54 -0.15 -0.51 0.00 0.00 0.00 175.10 175.17 3kda s ILE 84 N 0.48 1.38 -0.34 2.22 2.07 -0.49 -1.48 121.20 125.05 3kda s ILE 84 Ca -0.12 -0.61 0.03 0.00 -1.41 0.00 0.00 60.65 58.53 3kda s ILE 84 Cb -0.17 -1.24 0.10 0.00 0.13 0.00 0.00 42.46 41.28 3kda s ILE 84 CO 0.05 0.41 0.07 0.00 -1.91 0.00 0.00 174.94 173.56 3kda s ALA 85 N 0.67 2.50 0.52 1.50 0.00 -0.01 -1.06 121.76 125.89 3kda s ALA 85 Ca -0.14 -2.30 -0.11 0.00 0.00 0.00 0.00 51.96 49.41 3kda s ALA 85 Cb -0.16 -1.87 -0.05 0.00 0.00 0.00 0.00 23.12 21.03 3kda s ALA 85 CO 0.04 -1.69 0.91 -1.25 0.00 0.00 0.00 175.76 173.76 3kda s PRO 86 N 1.08 3.71 -0.01 0.00 0.04 -1.24 -1.49 135.00 137.09 3kda s PRO 86 Ca 0.11 0.61 -0.24 0.00 0.04 0.00 0.00 61.00 61.52 3kda s PRO 86 Cb -0.19 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 3kda s PRO 86 CO -0.13 -0.30 0.72 -0.51 0.04 0.00 0.00 177.00 176.82 3kda s ASP 87 N -3.68 7.09 0.57 6.66 1.01 -0.03 -4.26 116.67 124.04 3kda s ASP 87 Ca 0.53 1.31 -0.20 0.00 0.71 0.00 0.00 52.55 54.90 3kda s ASP 87 Cb -0.10 -2.43 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 3kda s ASP 87 CO 0.42 -0.03 1.21 0.18 0.21 0.00 0.00 175.17 177.16 3kda n LEU 88 N 3.21 4.90 -4.60 1.23 4.77 -1.26 -4.58 117.00 120.67 3kda n LEU 88 Ca -0.02 0.91 -0.51 0.00 -0.03 0.00 0.00 56.01 56.35 3kda n LEU 88 Cb 0.51 -1.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.04 3kda n LEU 88 CO 0.47 -1.08 0.90 -2.65 -1.33 0.00 0.00 177.39 173.70 3kda n PRO 89 N -1.10 1.24 0.00 3.23 -0.02 -1.26 -0.89 135.00 136.20 3kda n PRO 89 Ca 0.12 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3kda n PRO 89 Cb 0.46 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3kda n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kda n GLY 90 N 2.53 3.00 3.89 -1.23 0.00 -0.56 -4.64 105.19 108.17 3kda n GLY 90 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 3kda n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kda s LEU 91 N 0.00 3.71 0.00 0.99 1.43 -0.07 -3.69 118.68 121.04 3kda s LEU 91 Ca 0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3kda s LEU 91 Cb 0.00 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.85 3kda s LEU 91 CO 0.00 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.81 3kda n GLY 92 N -1.45 3.15 1.12 -3.19 0.00 -1.26 -1.38 105.19 102.18 3kda n GLY 92 Ca -0.01 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.13 3kda n GLY 92 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kda n GLN 93 N 14.00 3.33 -3.32 1.61 6.02 -1.26 -4.97 117.38 132.79 3kda n GLN 93 Ca 0.00 -2.70 -0.38 0.00 -0.01 0.00 0.00 57.00 53.91 3kda n GLN 93 Cb 0.00 -1.76 -0.06 0.00 1.02 0.00 0.00 30.24 29.44 3kda n GLN 93 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3kda s SER 94 N -1.32 7.01 0.53 1.08 0.01 -0.48 -4.28 113.70 116.25 3kda s SER 94 Ca 0.41 1.19 -0.22 0.00 1.31 0.00 0.00 55.95 58.65 3kda s SER 94 Cb 0.29 -2.34 -0.05 0.00 0.21 0.00 0.00 66.02 64.13 3kda s SER 94 CO 0.16 0.27 1.28 -0.70 0.41 0.00 0.00 173.24 174.66 3kda s GLU 95 N -1.04 3.28 0.72 12.44 2.12 -0.20 -1.90 118.70 134.11 3kda s GLU 95 Ca 0.28 2.04 -0.16 0.00 0.36 0.00 0.00 54.97 57.49 3kda s GLU 95 Cb -0.19 -2.24 0.02 0.00 0.26 0.00 0.00 34.13 31.98 3kda s GLU 95 CO 0.18 -1.02 1.19 -2.30 -0.54 0.00 0.00 175.26 172.77 3kda n PRO 96 N -0.98 0.68 -1.85 4.30 -0.02 -1.26 -1.50 135.00 134.38 3kda n PRO 96 Ca 0.10 0.30 -0.34 0.00 -2.02 0.00 0.00 63.50 61.53 3kda n PRO 96 Cb 0.47 -2.43 0.05 0.00 -0.02 0.00 0.00 33.50 31.56 3kda n PRO 96 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kda s PRO 97 N -3.59 2.80 0.01 0.52 0.04 -1.26 -4.74 135.00 128.78 3kda s PRO 97 Ca 0.78 1.63 0.22 0.00 0.04 0.00 0.00 61.00 63.67 3kda s PRO 97 Cb -0.35 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.12 3kda s PRO 97 CO 0.46 -1.29 0.85 1.63 0.04 0.00 0.00 177.00 178.68 3kda n LYS 98 N -2.05 0.27 -0.07 4.56 5.02 -1.26 -4.59 118.16 120.04 3kda n LYS 98 Ca 0.12 -0.05 -0.06 0.00 -2.02 0.00 0.00 58.31 56.30 3kda n LYS 98 Cb 0.51 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.96 3kda n LYS 98 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3kda n THR 99 N -1.86 1.29 -0.74 -0.18 -2.24 -1.26 -5.12 114.28 104.18 3kda n THR 99 Ca 0.01 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 3kda n THR 99 Cb 0.43 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.37 3kda n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kda n GLY 100 N 1.57 -1.50 0.70 3.38 0.00 -1.26 -5.03 105.19 103.04 3kda n GLY 100 Ca -0.09 -1.05 0.07 0.00 0.00 0.00 0.00 46.02 44.95 3kda n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kda n TYR 101 N 0.33 0.36 -1.35 1.61 4.02 -1.26 -4.27 117.16 116.60 3kda n TYR 101 Ca 0.00 -0.31 -0.32 0.00 -0.01 0.00 0.00 57.90 57.26 3kda n TYR 101 Cb 0.00 -0.01 0.09 0.00 -0.02 0.00 0.00 39.34 39.39 3kda n TYR 101 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3kda s SER 102 N -1.05 4.50 0.23 7.72 1.04 -1.26 -4.65 113.70 120.22 3kda s SER 102 Ca 0.24 1.94 -0.07 0.00 0.48 0.00 0.00 55.95 58.53 3kda s SER 102 Cb 0.14 -2.54 0.28 0.00 0.10 0.00 0.00 66.02 63.99 3kda s SER 102 CO 0.19 -2.04 1.85 1.23 0.98 0.00 0.00 173.24 175.45 3kda h GLY 103 N -0.84 1.19 1.46 7.32 0.00 -1.86 -1.32 103.07 109.02 3kda h GLY 103 Ca -0.45 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 46.41 3kda h GLY 103 CO 0.51 0.28 -0.23 -2.09 0.00 0.00 0.00 176.54 175.01 3kda h GLU 104 N 0.95 0.63 -0.15 4.80 4.81 -1.92 -0.56 114.58 123.14 3kda h GLU 104 Ca 0.34 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 3kda h GLU 104 Cb 0.10 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 3kda h GLU 104 CO -0.15 0.81 -0.17 1.96 -0.73 0.00 0.00 179.01 180.73 3kda h GLN 105 N 0.56 0.39 -0.14 1.92 4.20 -1.72 -3.17 115.11 117.15 3kda h GLN 105 Ca 0.08 -0.21 -0.15 0.00 0.06 0.00 0.00 58.65 58.43 3kda h GLN 105 Cb 0.69 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 3kda h GLN 105 CO 0.05 0.78 -0.54 0.28 -0.67 0.00 0.00 178.83 178.73 3kda h VAL 106 N 0.02 1.34 -0.16 -0.54 2.07 -1.18 -2.97 116.25 114.83 3kda h VAL 106 Ca 0.02 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.74 3kda h VAL 106 Cb 0.72 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 3kda h VAL 106 CO 0.04 0.55 0.10 0.00 0.02 0.00 0.00 177.57 178.29 3kda h ALA 107 N 1.10 1.88 -0.59 1.67 0.00 -1.00 -1.62 119.26 120.71 3kda h ALA 107 Ca 0.01 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3kda h ALA 107 Cb 1.05 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3kda h ALA 107 CO 0.09 0.11 0.34 0.28 0.00 0.00 0.00 179.25 180.07 3kda h VAL 108 N 0.22 1.01 -0.60 0.00 2.07 -1.49 0.31 116.25 117.77 3kda h VAL 108 Ca 0.06 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3kda h VAL 108 Cb -0.02 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 3kda h VAL 108 CO -0.01 0.12 0.27 1.88 0.02 0.00 0.00 177.57 179.84 3kda h TYR 109 N 0.65 0.89 -0.14 1.57 0.05 -1.41 -1.12 116.97 117.46 3kda h TYR 109 Ca 0.25 -0.05 -0.21 0.00 0.05 0.00 0.00 58.73 58.77 3kda h TYR 109 Cb 0.10 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.57 3kda h TYR 109 CO -0.07 0.69 -0.75 -0.07 -1.05 0.00 0.00 178.16 176.91 3kda h LEU 110 N 0.83 0.80 -0.20 3.88 3.38 -1.30 -1.35 115.31 121.35 3kda h LEU 110 Ca 0.20 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 3kda h LEU 110 Cb 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3kda h LEU 110 CO -0.02 1.30 0.10 -0.74 0.09 0.00 0.00 178.44 179.17 3kda h HIS 111 N 0.47 0.29 -0.43 1.13 2.76 -0.83 -1.52 115.15 117.03 3kda h HIS 111 Ca -0.04 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.02 3kda h HIS 111 Cb 1.36 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 30.21 3kda h HIS 111 CO 0.07 0.30 -0.11 0.87 -1.30 0.00 0.00 177.93 177.76 3kda h LYS 112 N 0.20 0.76 -0.20 5.26 1.57 -1.18 -1.08 116.57 121.91 3kda h LYS 112 Ca 0.07 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3kda h LYS 112 Cb 0.11 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3kda h LYS 112 CO -0.01 0.85 0.11 1.25 -0.57 0.00 0.00 179.45 181.08 3kda h LEU 113 N 0.69 0.25 -0.64 2.94 5.85 -1.11 -1.80 115.31 121.48 3kda h LEU 113 Ca 0.12 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3kda h LEU 113 Cb 0.59 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 3kda h LEU 113 CO 0.04 0.27 0.35 0.00 -0.34 0.00 0.00 178.44 178.75 3kda h ALA 114 N 0.99 0.85 0.00 1.25 0.00 -0.98 -1.82 119.26 119.56 3kda h ALA 114 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3kda h ALA 114 Cb 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kda h ALA 114 CO -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 179.25 179.17 3kda h ARG 115 N 0.65 0.00 -0.11 0.00 2.47 -0.88 -0.27 114.38 116.24 3kda h ARG 115 Ca 0.29 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.97 3kda h ARG 115 Cb 0.19 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 3kda h ARG 115 CO -0.18 0.08 -0.10 1.96 0.56 0.00 0.00 179.97 182.29 3kda h GLN 116 N 0.00 0.17 0.00 0.04 4.20 -0.45 -2.63 115.11 116.43 3kda h GLN 116 Ca -0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3kda h GLN 116 Cb 0.49 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3kda h GLN 116 CO 0.01 0.28 -1.88 1.19 -0.67 0.00 0.00 178.83 177.76 3kda n PHE 117 N -4.33 0.00 -3.14 2.96 3.72 -0.60 -4.61 117.46 111.46 3kda n PHE 117 Ca -0.01 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.17 3kda n PHE 117 Cb 0.23 -0.44 -0.04 0.00 -0.94 0.00 0.00 39.48 38.28 3kda n PHE 117 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kda n SER 118 N -2.17 1.99 0.22 4.37 2.88 -0.21 -4.93 113.62 115.76 3kda n SER 118 Ca -0.03 -3.19 0.10 0.00 -1.33 0.00 0.00 58.87 54.41 3kda n SER 118 Cb 0.51 -0.61 0.42 0.00 -0.75 0.00 0.00 64.21 63.78 3kda n SER 118 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3kda h PRO 119 N 3.22 0.00 -0.16 -1.46 0.13 -1.72 -3.31 132.00 128.70 3kda h PRO 119 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3kda h PRO 119 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3kda h PRO 119 CO 0.61 0.23 0.00 -0.25 -0.23 0.00 0.00 178.00 178.36 3kda n ASP 120 N -3.35 2.33 -3.82 1.44 8.00 -1.26 -4.99 116.55 114.90 3kda n ASP 120 Ca 0.00 -1.71 -0.12 0.00 0.71 0.00 0.00 54.79 53.68 3kda n ASP 120 Cb 0.46 -0.10 -0.09 0.00 -0.02 0.00 0.00 41.12 41.36 3kda n ASP 120 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3kda s ARG 121 N -0.91 0.61 0.65 -1.24 0.52 -1.25 -5.15 118.95 112.18 3kda s ARG 121 Ca 0.16 -0.37 -0.16 0.00 -0.52 0.00 0.00 55.73 54.84 3kda s ARG 121 Cb 0.09 0.26 -0.01 0.00 0.52 0.00 0.00 34.95 35.82 3kda s ARG 121 CO 0.13 -0.16 1.15 -1.25 0.02 0.00 0.00 175.30 175.19 3kda s PRO 122 N -1.63 2.77 0.29 3.54 0.04 -1.26 -4.86 135.00 133.90 3kda s PRO 122 Ca -0.12 1.57 0.11 0.00 0.04 0.00 0.00 61.00 62.59 3kda s PRO 122 Cb -0.05 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 3kda s PRO 122 CO 0.01 -1.30 -0.11 -0.59 0.04 0.00 0.00 177.00 175.05 3kda s PHE 123 N -2.07 2.43 0.24 0.56 -0.12 0.08 -4.63 117.98 114.49 3kda s PHE 123 Ca 0.71 -0.34 -0.09 0.00 -0.05 0.00 0.00 56.93 57.16 3kda s PHE 123 Cb -0.24 -1.15 -0.07 0.00 -0.63 0.00 0.00 43.02 40.93 3kda s PHE 123 CO 0.39 0.65 0.56 -0.51 -0.05 0.00 0.00 175.22 176.25 3kda s ASP 124 N -3.59 6.60 -0.06 1.98 1.01 -0.02 -0.84 116.67 121.76 3kda s ASP 124 Ca 0.31 0.91 0.01 0.00 0.71 0.00 0.00 52.55 54.50 3kda s ASP 124 Cb -0.04 -2.22 0.02 0.00 1.01 0.00 0.00 42.92 41.69 3kda s ASP 124 CO 0.17 -0.10 -0.08 -0.22 0.21 0.00 0.00 175.17 175.15 3kda s LEU 125 N -2.93 1.45 -0.09 1.23 2.96 -0.73 -0.74 118.68 119.84 3kda s LEU 125 Ca 0.47 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.19 3kda s LEU 125 Cb -0.11 -0.66 0.01 0.00 0.50 0.00 0.00 46.19 45.93 3kda s LEU 125 CO 0.22 -0.02 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.37 3kda s VAL 126 N 0.89 1.52 0.02 1.68 1.01 -0.04 -0.87 120.40 124.61 3kda s VAL 126 Ca -0.11 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3kda s VAL 126 Cb -0.15 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 3kda s VAL 126 CO 0.01 0.44 -0.03 0.00 0.00 0.00 0.00 175.10 175.52 3kda s ALA 127 N 0.64 0.14 -0.02 5.51 0.00 -0.18 -0.35 121.76 127.50 3kda s ALA 127 Ca -0.14 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 51.35 3kda s ALA 127 Cb -0.16 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 3kda s ALA 127 CO 0.04 -0.12 -0.14 -1.58 0.00 0.00 0.00 175.76 173.96 3kda s HIS 128 N -1.21 1.30 0.00 0.00 2.46 -0.61 -1.15 115.29 116.09 3kda s HIS 128 Ca -0.13 -0.28 0.00 0.00 0.47 0.00 0.00 55.06 55.12 3kda s HIS 128 Cb -0.08 -0.86 0.00 0.00 -0.13 0.00 0.00 32.58 31.51 3kda s HIS 128 CO -0.01 -0.06 0.00 -3.47 -2.47 0.00 0.00 174.74 168.73 3kda n ASP 129 N 2.89 0.00 0.00 9.88 -0.08 -0.91 -0.94 116.55 127.39 3kda n ASP 129 Ca -0.15 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.18 3kda n ASP 129 Cb 0.55 0.00 0.24 0.00 2.34 0.00 0.00 41.12 44.25 3kda n ASP 129 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3kda n ILE 130 N 0.00 1.02 0.11 5.18 -5.35 -1.26 -0.85 119.36 118.21 3kda n ILE 130 Ca 0.00 0.26 0.12 0.00 -0.27 0.00 0.00 62.75 62.86 3kda n ILE 130 Cb 0.00 -1.08 0.63 0.00 -1.74 0.00 0.00 39.64 37.45 3kda n ILE 130 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3kda h GLY 131 N 1.75 0.10 0.80 3.28 0.00 -0.84 -1.51 103.07 106.66 3kda h GLY 131 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3kda h GLY 131 CO 0.00 0.03 -0.00 -2.22 0.00 0.00 0.00 176.54 174.34 3kda h ILE 132 N 0.08 1.26 -0.80 2.60 2.04 -1.13 -2.66 117.51 118.90 3kda h ILE 132 Ca 0.13 -0.86 0.07 0.00 1.00 0.00 0.00 64.86 65.20 3kda h ILE 132 Cb 0.42 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 3kda h ILE 132 CO -0.01 0.26 0.52 -0.50 0.00 0.00 0.00 178.15 178.42 3kda h TRP 133 N 0.05 0.87 -0.10 1.37 4.06 -1.47 -1.16 115.95 119.57 3kda h TRP 133 Ca 0.05 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.02 3kda h TRP 133 Cb 0.39 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 3kda h TRP 133 CO 0.04 0.45 0.00 0.09 -3.56 0.00 0.00 178.44 175.45 3kda n ASN 134 N -4.49 1.79 0.00 -3.49 3.02 -0.65 -4.14 115.26 107.30 3kda n ASN 134 Ca 0.12 -1.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.02 3kda n ASN 134 Cb 0.23 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 3kda n ASN 134 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3kda n THR 135 N 0.39 0.00 -0.26 3.41 -2.24 -0.89 -2.99 114.28 111.70 3kda n THR 135 Ca 0.18 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.02 3kda n THR 135 Cb 0.38 -0.84 0.20 0.00 -2.10 0.00 0.00 70.33 67.97 3kda n THR 135 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3kda h TYR 136 N 0.00 0.39 -0.76 4.78 3.20 -1.39 -1.54 116.97 121.66 3kda h TYR 136 Ca 0.00 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 3kda h TYR 136 Cb 0.85 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 3kda h TYR 136 CO 0.00 -0.04 0.32 -1.35 -1.64 0.00 0.00 178.16 175.44 3kda h PRO 137 N 0.33 1.12 0.00 1.82 0.11 -1.84 -1.17 132.00 132.37 3kda h PRO 137 Ca 0.44 -0.19 -0.09 0.00 0.11 0.00 0.00 66.00 66.27 3kda h PRO 137 Cb 0.75 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3kda h PRO 137 CO -0.49 0.90 -0.42 0.00 -0.21 0.00 0.00 178.00 177.78 3kda h MET 138 N 1.10 0.00 -0.15 1.05 -0.00 -1.61 -1.96 114.93 113.37 3kda h MET 138 Ca 0.26 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.91 3kda h MET 138 Cb 0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.78 3kda h MET 138 CO -0.02 0.42 -0.11 0.28 -0.00 0.00 0.00 176.91 177.48 3kda h VAL 139 N 0.00 1.33 0.00 -0.10 2.07 -0.74 -2.00 116.25 116.81 3kda h VAL 139 Ca -0.00 -1.21 -0.09 0.00 0.82 0.00 0.00 66.70 66.21 3kda h VAL 139 Cb 1.00 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 3kda h VAL 139 CO 0.05 0.35 -0.45 1.62 0.02 0.00 0.00 177.57 179.17 3kda h VAL 140 N -0.02 1.04 0.00 2.57 3.04 -1.16 -3.09 116.25 118.64 3kda h VAL 140 Ca 0.03 -1.71 0.00 0.00 -1.01 0.00 0.00 66.70 64.01 3kda h VAL 140 Cb 0.61 2.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 3kda h VAL 140 CO 0.03 0.44 -0.76 0.29 -1.01 0.00 0.00 177.57 176.55 3kda n LYS 141 N -3.60 0.32 -2.86 4.17 5.02 -0.74 -4.38 118.16 116.09 3kda n LYS 141 Ca -0.00 0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.18 3kda n LYS 141 Cb 0.55 -1.67 -0.01 0.00 -0.02 0.00 0.00 35.03 33.88 3kda n LYS 141 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kda n ASN 142 N -2.11 2.16 0.13 4.39 3.02 -0.76 -4.94 115.26 117.15 3kda n ASN 142 Ca 0.03 -3.11 0.03 0.00 -0.03 0.00 0.00 54.58 51.49 3kda n ASN 142 Cb 0.45 -0.56 0.39 0.00 -0.61 0.00 0.00 39.78 39.46 3kda n ASN 142 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3kda h GLN 143 N 2.93 0.20 0.00 3.52 4.20 -1.75 0.31 115.11 124.53 3kda h GLN 143 Ca 0.06 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3kda h GLN 143 Cb 0.97 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.72 3kda h GLN 143 CO 0.60 0.36 0.00 0.00 -0.67 0.00 0.00 178.83 179.12 3kda n ALA 144 N -2.49 1.45 1.07 3.87 0.00 -1.26 -1.77 120.51 121.38 3kda n ALA 144 Ca -0.01 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.67 3kda n ALA 144 Cb 0.28 -1.35 0.27 0.00 0.00 0.00 0.00 19.45 18.64 3kda n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kda n ASP 145 N -2.21 0.70 -4.44 0.00 9.92 0.09 -4.55 116.55 116.07 3kda n ASP 145 Ca 0.01 -0.50 -0.33 0.00 -0.53 0.00 0.00 54.79 53.44 3kda n ASP 145 Cb 0.16 0.25 -0.13 0.00 -0.64 0.00 0.00 41.12 40.76 3kda n ASP 145 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kda s ILE 146 N -2.84 3.51 -0.05 0.53 -1.09 -0.73 -0.74 121.20 119.80 3kda s ILE 146 Ca 0.15 -0.49 -0.03 0.00 -2.23 0.00 0.00 60.65 58.05 3kda s ILE 146 Cb 0.18 -2.52 -0.01 0.00 -1.58 0.00 0.00 42.46 38.53 3kda s ILE 146 CO 0.65 0.50 -0.06 0.00 -1.23 0.00 0.00 174.94 174.81 3kda h ALA 147 N 6.74 0.00 -2.84 9.38 0.00 -1.25 -3.45 119.26 127.84 3kda h ALA 147 Ca -0.29 -0.33 -0.35 0.00 0.00 0.00 0.00 54.91 53.93 3kda h ALA 147 Cb 1.20 0.17 -0.18 0.00 0.00 0.00 0.00 17.79 18.98 3kda h ALA 147 CO 0.60 0.17 -0.74 1.03 0.00 0.00 0.00 179.25 180.30 3kda s ARG 148 N -1.43 0.89 -0.05 0.00 0.52 -1.26 -4.12 118.95 113.50 3kda s ARG 148 Ca -0.05 -1.16 0.02 0.00 -0.52 0.00 0.00 55.73 54.03 3kda s ARG 148 Cb 0.01 -0.66 0.01 0.00 0.52 0.00 0.00 34.95 34.82 3kda s ARG 148 CO 0.07 0.12 -0.11 -1.17 0.02 0.00 0.00 175.30 174.23 3kda s LEU 149 N -2.37 1.67 -0.12 2.53 2.96 -0.50 -1.77 118.68 121.07 3kda s LEU 149 Ca 0.06 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3kda s LEU 149 Cb -0.04 -0.74 0.02 0.00 0.50 0.00 0.00 46.19 45.93 3kda s LEU 149 CO 0.01 0.04 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.28 3kda s VAL 150 N 0.52 1.31 -0.07 1.68 1.01 -0.05 -0.67 120.40 124.14 3kda s VAL 150 Ca -0.11 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3kda s VAL 150 Cb -0.14 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 3kda s VAL 150 CO 0.03 0.41 -0.23 -0.31 0.00 0.00 0.00 175.10 175.00 3kda s TYR 151 N 1.46 2.51 -0.01 5.22 2.02 -0.54 -1.01 117.35 127.01 3kda s TYR 151 Ca 0.02 -0.69 0.02 0.00 -0.37 0.00 0.00 57.07 56.05 3kda s TYR 151 Cb -0.13 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 3kda s TYR 151 CO -0.08 -0.20 -0.05 0.00 -1.57 0.00 0.00 175.55 173.66 3kda s MET 152 N -0.12 0.54 -1.11 -0.62 0.23 -0.30 -1.76 119.30 116.16 3kda s MET 152 Ca -0.04 -0.17 -0.13 0.00 -1.03 0.00 0.00 55.69 54.32 3kda s MET 152 Cb -0.14 -0.54 -0.03 0.00 -1.53 0.00 0.00 34.83 32.58 3kda s MET 152 CO 0.04 0.07 0.85 0.39 -2.03 0.00 0.00 175.02 174.33 3kda n GLU 153 N 3.25 -1.98 0.00 3.16 -0.58 -0.91 -2.14 120.64 121.45 3kda n GLU 153 Ca -0.17 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 3kda n GLU 153 Cb 0.56 -4.95 0.00 0.00 -0.57 0.00 0.00 31.44 26.47 3kda n GLU 153 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kda n ALA 154 N -3.78 0.00 -1.77 0.62 0.00 -1.26 -2.88 120.51 111.44 3kda n ALA 154 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.96 3kda n ALA 154 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 3kda n ALA 154 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kda s PRO 155 N -1.90 4.19 0.25 0.00 0.04 -1.26 -4.92 135.00 131.40 3kda s PRO 155 Ca 0.00 1.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 3kda s PRO 155 Cb 0.00 -2.78 -0.10 0.00 0.04 0.00 0.00 34.50 31.66 3kda s PRO 155 CO 0.00 -0.20 1.48 0.42 0.04 0.00 0.00 177.00 178.74 3kda s ILE 156 N -1.38 2.55 -0.11 0.56 1.01 -1.26 -4.73 121.20 117.85 3kda s ILE 156 Ca 0.54 0.46 -0.29 0.00 0.00 0.00 0.00 60.65 61.36 3kda s ILE 156 Cb -0.31 -3.29 -0.06 0.00 0.01 0.00 0.00 42.46 38.81 3kda s ILE 156 CO 0.39 0.07 2.03 -2.84 0.00 0.00 0.00 174.94 174.58 3kda s PRO 157 N -0.22 3.66 0.23 2.79 0.02 -1.26 -4.90 135.00 135.32 3kda s PRO 157 Ca 0.61 2.23 -0.07 0.00 0.02 0.00 0.00 61.00 63.78 3kda s PRO 157 Cb -0.43 -4.24 0.03 0.00 0.02 0.00 0.00 34.50 29.88 3kda s PRO 157 CO 0.43 -1.50 0.43 -0.40 -0.33 0.00 0.00 177.00 175.63 3kda n ASP 158 N 9.46 -1.25 0.23 2.53 5.68 -1.26 -4.41 116.55 127.52 3kda n ASP 158 Ca 0.24 -1.96 0.16 0.00 -0.50 0.00 0.00 54.79 52.73 3kda n ASP 158 Cb 0.43 2.11 0.80 0.00 -1.14 0.00 0.00 41.12 43.32 3kda n ASP 158 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kda h ALA 159 N 1.97 1.00 -0.32 2.12 0.00 -1.91 -2.08 119.26 120.03 3kda h ALA 159 Ca -0.19 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.81 3kda h ALA 159 Cb 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3kda h ALA 159 CO 0.24 0.00 0.23 0.00 0.00 0.00 0.00 179.25 179.72 3kda h ARG 160 N 0.00 0.00 0.00 0.00 3.08 -1.96 -1.51 114.38 113.99 3kda h ARG 160 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kda h ARG 160 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3kda h ARG 160 CO 0.00 0.00 0.00 -0.84 -1.07 0.00 0.00 179.97 178.06 3kda h ILE 161 N 0.00 0.00 -0.00 2.04 3.07 -1.72 -2.25 117.51 118.64 3kda h ILE 161 Ca 0.15 -0.37 0.00 0.00 1.55 0.00 0.00 64.86 66.19 3kda h ILE 161 Cb 0.61 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 38.51 3kda h ILE 161 CO -0.00 0.00 -0.00 -1.22 -1.05 0.00 0.00 178.15 175.88 3kda n TYR 162 N -3.01 0.00 0.46 0.16 4.01 -0.57 -3.39 117.16 114.82 3kda n TYR 162 Ca -0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 3kda n TYR 162 Cb 0.24 -0.03 -0.15 0.00 -0.31 0.00 0.00 39.34 39.10 3kda n TYR 162 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3kda n ARG 163 N -0.97 0.38 -2.05 -0.72 5.12 -0.85 -4.95 116.66 112.63 3kda n ARG 163 Ca 0.23 -0.11 -0.41 0.00 -1.93 0.00 0.00 57.85 55.63 3kda n ARG 163 Cb 0.13 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.91 3kda n ARG 163 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3kda s PHE 164 N -3.26 2.97 0.44 -1.55 0.08 -1.22 -4.97 117.98 110.47 3kda s PHE 164 Ca -0.00 1.29 -0.21 0.00 0.12 0.00 0.00 56.93 58.12 3kda s PHE 164 Cb 0.15 -3.76 -0.10 0.00 -0.57 0.00 0.00 43.02 38.74 3kda s PHE 164 CO 0.88 -2.21 0.99 -1.25 -0.10 0.00 0.00 175.22 173.53 3kda s PRO 165 N -1.50 4.12 0.40 0.24 0.04 -1.26 -4.96 135.00 132.07 3kda s PRO 165 Ca 0.52 1.25 0.21 0.00 0.04 0.00 0.00 61.00 63.02 3kda s PRO 165 Cb -0.41 -2.24 0.72 0.00 0.04 0.00 0.00 34.50 32.62 3kda s PRO 165 CO 0.52 -0.14 1.74 0.00 0.04 0.00 0.00 177.00 179.17 3kda h ALA 166 N 1.96 0.97 -2.20 8.56 0.00 -1.97 -3.43 119.26 123.14 3kda h ALA 166 Ca -0.49 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.07 3kda h ALA 166 Cb 1.20 -0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.74 3kda h ALA 166 CO 0.61 0.38 0.01 0.12 0.00 0.00 0.00 179.25 180.37 3kda s PHE 167 N -3.54 -0.49 0.26 0.00 5.36 -1.26 -4.32 117.98 113.98 3kda s PHE 167 Ca 0.01 0.85 0.05 0.00 -0.96 0.00 0.00 56.93 56.88 3kda s PHE 167 Cb 0.10 0.29 -0.06 0.00 -0.34 0.00 0.00 43.02 43.01 3kda s PHE 167 CO 0.67 -0.51 -0.03 0.95 -1.46 0.00 0.00 175.22 174.84 3kda s THR 168 N -1.15 1.33 -0.85 0.12 -4.23 -0.84 -4.89 115.64 105.13 3kda s THR 168 Ca -0.11 -2.07 0.13 0.00 -1.18 0.00 0.00 61.69 58.46 3kda s THR 168 Cb -0.02 -2.42 0.12 0.00 1.34 0.00 0.00 72.50 71.52 3kda s THR 168 CO 0.07 -0.30 1.41 0.00 -0.54 0.00 0.00 174.62 175.27 3kda n ALA 169 N -0.51 1.46 0.64 3.99 0.00 -1.26 -1.90 120.51 122.92 3kda n ALA 169 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.48 3kda n ALA 169 Cb 0.64 -1.21 0.08 0.00 0.00 0.00 0.00 19.45 18.96 3kda n ALA 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kda n GLN 170 N -1.68 1.44 0.00 0.00 3.00 -1.26 -5.10 117.38 113.78 3kda n GLN 170 Ca 0.02 -1.56 0.00 0.00 -0.01 0.00 0.00 57.00 55.45 3kda n GLN 170 Cb 0.13 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 29.04 3kda n GLN 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kda n GLY 171 N 0.95 0.23 3.72 1.08 0.00 -0.80 -5.07 105.19 105.30 3kda n GLY 171 Ca 0.10 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 3kda n GLY 171 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kda n GLU 172 N 0.00 2.16 -2.24 1.61 0.28 -1.26 -1.98 120.64 119.21 3kda n GLU 172 Ca 0.00 0.76 -0.26 0.00 -0.16 0.00 0.00 57.16 57.50 3kda n GLU 172 Cb 0.00 -2.45 0.10 0.00 1.43 0.00 0.00 31.44 30.53 3kda n GLU 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3kda s SER 173 N -0.38 4.35 0.17 -1.84 1.04 -1.26 -4.76 113.70 111.00 3kda s SER 173 Ca 0.58 0.22 -0.10 0.00 0.48 0.00 0.00 55.95 57.13 3kda s SER 173 Cb -0.51 -0.68 0.03 0.00 0.10 0.00 0.00 66.02 64.96 3kda s SER 173 CO 0.60 -1.90 1.60 -0.07 0.98 0.00 0.00 173.24 174.45 3kda h LEU 174 N -0.80 1.02 -2.92 2.42 3.38 -1.93 -3.37 115.31 113.11 3kda h LEU 174 Ca -0.43 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.14 3kda h LEU 174 Cb 1.29 -0.28 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 3kda h LEU 174 CO 0.51 1.12 -0.63 1.33 0.09 0.00 0.00 178.44 180.86 3kda n VAL 175 N -4.17 1.24 0.25 1.22 0.24 -1.26 -4.67 118.33 111.18 3kda n VAL 175 Ca 0.01 -2.11 0.15 0.00 -2.04 0.00 0.00 64.34 60.35 3kda n VAL 175 Cb 0.39 0.25 0.84 0.00 -1.47 0.00 0.00 33.84 33.84 3kda n VAL 175 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 3kda h TRP 176 N 0.81 0.00 0.00 6.34 5.08 -1.84 -0.75 115.95 125.60 3kda h TRP 176 Ca -0.08 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.89 3kda h TRP 176 Cb 1.34 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.50 3kda h TRP 176 CO 0.43 0.00 -0.00 1.12 -1.28 0.00 0.00 178.44 178.70 3kda h HIS 177 N 0.00 0.00 -0.59 0.12 2.07 -1.89 -1.93 115.15 112.92 3kda h HIS 177 Ca 0.04 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.60 3kda h HIS 177 Cb 0.18 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.12 3kda h HIS 177 CO 0.00 0.00 0.33 0.74 -3.07 0.00 0.00 177.93 175.93 3kda h PHE 178 N 0.00 0.60 -0.21 6.12 -1.00 -1.50 0.19 116.94 121.14 3kda h PHE 178 Ca -0.00 0.02 -0.14 0.00 2.81 0.00 0.00 57.97 60.67 3kda h PHE 178 Cb 0.05 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.43 3kda h PHE 178 CO 0.00 0.30 -0.40 0.77 -1.61 0.00 0.00 178.31 177.37 3kda h SER 179 N 0.62 0.71 -0.24 2.17 0.02 -1.54 -1.89 113.55 113.41 3kda h SER 179 Ca 0.26 -0.54 0.02 0.00 -0.84 0.00 0.00 61.79 60.68 3kda h SER 179 Cb 0.14 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3kda h SER 179 CO -0.16 1.12 0.10 0.15 -1.14 0.00 0.00 176.83 176.91 3kda h PHE 180 N 0.33 0.19 -0.00 3.45 3.57 -1.24 -1.36 116.94 121.87 3kda h PHE 180 Ca 0.01 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.37 3kda h PHE 180 Cb 1.00 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 3kda h PHE 180 CO 0.09 0.10 -0.73 0.74 -2.23 0.00 0.00 178.31 176.28 3kda h PHE 181 N 0.23 0.01 0.00 0.41 0.04 -0.69 -3.14 116.94 113.80 3kda h PHE 181 Ca 0.10 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 3kda h PHE 181 Cb 0.04 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 3kda h PHE 181 CO -0.10 0.73 -0.18 0.00 -0.60 0.00 0.00 178.31 178.16 3kda h ALA 182 N 1.27 0.88 -2.87 2.45 0.00 -1.12 -3.40 119.26 116.47 3kda h ALA 182 Ca -0.01 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3kda h ALA 182 Cb 1.29 0.00 0.16 0.00 0.00 0.00 0.00 17.79 19.24 3kda h ALA 182 CO 0.10 0.00 0.28 0.00 0.00 0.00 0.00 179.25 179.63 3kda n ALA 183 N -1.85 0.61 -1.03 0.00 0.00 -0.53 -4.67 120.51 113.03 3kda n ALA 183 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3kda n ALA 183 Cb 0.45 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3kda n ALA 183 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kda n ASP 184 N -0.88 0.00 -1.44 0.00 5.75 -1.26 -4.27 116.55 114.45 3kda n ASP 184 Ca 0.13 -0.51 -0.18 0.00 -0.01 0.00 0.00 54.79 54.22 3kda n ASP 184 Cb 0.46 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.47 3kda n ASP 184 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3kda n ASP 185 N -1.52 -5.28 -4.03 -1.12 8.00 -1.26 -1.73 116.55 109.60 3kda n ASP 185 Ca 0.00 0.45 -0.30 0.00 0.71 0.00 0.00 54.79 55.65 3kda n ASP 185 Cb 0.00 -4.54 -0.01 0.00 -0.02 0.00 0.00 41.12 36.55 3kda n ASP 185 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kda n ARG 186 N -2.04 -3.72 -0.01 -1.24 1.74 -1.26 -4.86 116.66 105.27 3kda n ARG 186 Ca -0.18 0.44 -0.09 0.00 -0.77 0.00 0.00 57.85 57.24 3kda n ARG 186 Cb 0.64 -4.93 -0.04 0.00 -1.02 0.00 0.00 32.46 27.11 3kda n ARG 186 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3kda h LEU 187 N -1.76 -0.19 -0.24 0.55 5.85 -1.52 -0.45 115.31 117.55 3kda h LEU 187 Ca -0.61 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.11 3kda h LEU 187 Cb 1.38 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 3kda h LEU 187 CO 0.69 -0.07 -0.06 0.00 -0.34 0.00 0.00 178.44 178.65 3kda h ALA 188 N 1.09 0.33 -0.92 1.25 0.00 -1.86 -1.81 119.26 117.35 3kda h ALA 188 Ca 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3kda h ALA 188 Cb 0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3kda h ALA 188 CO -0.16 0.13 0.55 0.93 0.00 0.00 0.00 179.25 180.70 3kda h GLU 189 N 0.20 1.25 -0.39 0.00 3.07 -1.87 -0.55 114.58 116.29 3kda h GLU 189 Ca 0.06 -0.12 -0.12 0.00 -0.50 0.00 0.00 59.36 58.68 3kda h GLU 189 Cb 0.53 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 3kda h GLU 189 CO 0.02 0.88 -0.24 1.15 -1.40 0.00 0.00 179.01 179.43 3kda h THR 190 N 1.27 1.28 -0.03 1.13 2.02 -0.89 -0.70 112.91 116.98 3kda h THR 190 Ca 0.33 -1.38 -0.22 0.00 0.77 0.00 0.00 66.41 65.90 3kda h THR 190 Cb -0.04 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3kda h THR 190 CO -0.06 0.46 -0.89 -0.07 0.37 0.00 0.00 175.52 175.34 3kda h LEU 191 N 0.65 0.58 0.00 2.58 3.38 -1.20 -3.33 115.31 117.96 3kda h LEU 191 Ca 0.08 -0.44 -0.15 0.00 0.09 0.00 0.00 57.88 57.46 3kda h LEU 191 Cb 0.80 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3kda h LEU 191 CO 0.07 1.22 -1.05 0.40 0.09 0.00 0.00 178.44 179.17 3kda h ILE 192 N 0.28 0.77 -2.41 1.22 2.04 -1.07 -3.44 117.51 114.89 3kda h ILE 192 Ca -0.07 -2.25 -0.58 0.00 1.00 0.00 0.00 64.86 62.96 3kda h ILE 192 Cb 1.51 2.27 0.06 0.00 -0.74 0.00 0.00 36.82 39.93 3kda h ILE 192 CO 0.16 0.44 0.75 0.00 0.00 0.00 0.00 178.15 179.50 3kda n ALA 193 N -2.34 1.35 -0.02 1.87 0.00 -0.28 -0.38 120.51 120.72 3kda n ALA 193 Ca -0.05 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3kda n ALA 193 Cb 0.82 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.93 3kda n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kda n GLY 194 N 3.05 2.03 1.41 0.00 0.00 -1.26 -4.80 105.19 105.61 3kda n GLY 194 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 3kda n GLY 194 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kda n LYS 195 N -2.00 0.38 -0.21 1.61 4.76 0.49 -4.92 118.16 118.26 3kda n LYS 195 Ca 0.00 -2.31 -0.07 0.00 -2.87 0.00 0.00 58.31 53.06 3kda n LYS 195 Cb 0.00 -0.37 0.03 0.00 -1.84 0.00 0.00 35.03 32.85 3kda n LYS 195 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3kda h GLU 196 N 1.08 0.88 -0.31 1.97 3.07 -1.75 0.40 114.58 119.92 3kda h GLU 196 Ca -0.18 -0.16 -0.09 0.00 -0.50 0.00 0.00 59.36 58.43 3kda h GLU 196 Cb 1.72 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 29.47 3kda h GLU 196 CO 0.09 0.75 -0.14 -0.09 -1.40 0.00 0.00 179.01 178.22 3kda h ARG 197 N 0.82 0.65 -0.09 2.33 9.65 -1.90 -1.17 114.38 124.67 3kda h ARG 197 Ca 0.20 -0.28 0.01 0.00 -1.10 0.00 0.00 59.98 58.80 3kda h ARG 197 Cb 0.19 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 3kda h ARG 197 CO -0.02 0.87 0.03 0.35 2.80 0.00 0.00 179.97 184.00 3kda h PHE 198 N 0.41 0.06 -0.46 2.20 3.57 -1.90 -2.05 116.94 118.76 3kda h PHE 198 Ca 0.07 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3kda h PHE 198 Cb 0.67 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3kda h PHE 198 CO 0.06 0.03 0.17 0.35 -2.23 0.00 0.00 178.31 176.70 3kda h PHE 199 N 0.08 0.71 -0.68 0.41 3.57 -0.82 -2.49 116.94 117.72 3kda h PHE 199 Ca 0.04 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 3kda h PHE 199 Cb 0.02 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 3kda h PHE 199 CO -0.09 0.62 0.12 1.25 -2.23 0.00 0.00 178.31 177.97 3kda h LEU 200 N 0.61 1.08 -0.49 0.59 5.85 -1.12 0.11 115.31 121.95 3kda h LEU 200 Ca 0.15 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3kda h LEU 200 Cb 0.21 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3kda h LEU 200 CO -0.01 1.07 0.32 -0.08 -0.34 0.00 0.00 178.44 179.40 3kda h GLU 201 N 1.06 0.64 -0.34 1.25 4.81 -1.30 0.81 114.58 121.51 3kda h GLU 201 Ca 0.21 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3kda h GLU 201 Cb 0.44 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3kda h GLU 201 CO 0.01 0.42 0.19 1.25 -0.73 0.00 0.00 179.01 180.16 3kda h HIS 202 N 0.66 0.45 -0.23 0.92 2.76 -0.96 -0.54 115.15 118.21 3kda h HIS 202 Ca 0.18 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 3kda h HIS 202 Cb -0.07 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.73 3kda h HIS 202 CO -0.04 0.34 0.11 0.35 -1.30 0.00 0.00 177.93 177.39 3kda h PHE 203 N 0.43 0.34 0.03 5.26 3.04 -0.47 0.30 116.94 125.86 3kda h PHE 203 Ca 0.12 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 3kda h PHE 203 Cb 0.03 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.44 3kda h PHE 203 CO -0.03 0.34 -0.01 0.82 -2.02 0.00 0.00 178.31 177.40 3kda h ILE 204 N 0.23 1.15 -0.19 1.41 2.04 -0.77 -2.90 117.51 118.47 3kda h ILE 204 Ca 0.08 -0.55 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 3kda h ILE 204 Cb 0.14 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3kda h ILE 204 CO -0.01 0.14 -0.14 0.11 0.00 0.00 0.00 178.15 178.25 3kda h LYS 205 N -0.28 0.32 0.00 2.37 1.57 -1.00 -1.71 116.57 117.84 3kda h LYS 205 Ca -0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3kda h LYS 205 Cb 0.26 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3kda h LYS 205 CO 0.01 0.47 0.00 0.66 -0.57 0.00 0.00 179.45 180.01 3kda h SER 206 N 0.30 0.00 -0.35 0.86 4.64 -0.86 -2.53 113.55 115.61 3kda h SER 206 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3kda h SER 206 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3kda h SER 206 CO 0.03 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.40 3kda n HIS 207 N -2.63 0.47 -4.04 4.77 8.25 -0.70 -4.69 115.22 116.65 3kda n HIS 207 Ca 0.01 -0.41 -0.30 0.00 -0.26 0.00 0.00 57.72 56.76 3kda n HIS 207 Cb 0.26 -0.02 -0.06 0.00 1.12 0.00 0.00 29.99 31.29 3kda n HIS 207 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kda s ALA 208 N -1.02 3.59 -0.12 -1.41 0.00 -0.88 -1.17 121.76 120.74 3kda s ALA 208 Ca 0.26 -1.03 -0.14 0.00 0.00 0.00 0.00 51.96 51.06 3kda s ALA 208 Cb 0.14 -1.45 -0.26 0.00 0.00 0.00 0.00 23.12 21.56 3kda s ALA 208 CO 0.19 0.72 0.44 0.77 0.00 0.00 0.00 175.76 177.88 3kda h SER 209 N 3.16 0.34 -3.45 0.00 0.02 -1.78 -3.42 113.55 108.42 3kda h SER 209 Ca -0.47 -0.83 -0.71 0.00 -0.84 0.00 0.00 61.79 58.95 3kda h SER 209 Cb 1.17 -0.11 -0.32 0.00 0.14 0.00 0.00 62.40 63.28 3kda h SER 209 CO 0.66 1.69 -0.51 0.21 -1.14 0.00 0.00 176.83 177.74 3kda s ASN 210 N -7.02 5.41 0.26 3.07 3.84 -1.26 -4.93 114.94 114.31 3kda s ASN 210 Ca -0.22 -1.86 0.25 0.00 0.21 0.00 0.00 52.86 51.24 3kda s ASN 210 Cb 0.05 -1.89 0.72 0.00 -0.55 0.00 0.00 41.25 39.58 3kda s ASN 210 CO 0.74 -0.56 1.74 0.71 -2.79 0.00 0.00 177.10 176.94 3kda h THR 211 N 6.27 0.00 0.00 -5.21 1.35 -1.91 -3.33 112.91 110.07 3kda h THR 211 Ca -0.17 -0.58 -0.03 0.00 -0.55 0.00 0.00 66.41 65.08 3kda h THR 211 Cb 1.06 1.58 -0.00 0.00 -1.73 0.00 0.00 68.15 69.05 3kda h THR 211 CO 0.74 0.00 -0.15 -0.08 -0.25 0.00 0.00 175.52 175.78 3kda h GLU 212 N 0.00 0.00 0.00 4.72 4.22 -2.01 -2.32 114.58 119.19 3kda h GLU 212 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3kda h GLU 212 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3kda h GLU 212 CO 0.00 0.15 0.00 1.33 -2.18 0.00 0.00 179.01 178.31 3kda n VAL 213 N -3.84 0.31 -3.56 0.32 0.24 -1.25 -4.35 118.33 106.21 3kda n VAL 213 Ca -0.02 0.08 -0.41 0.00 -2.04 0.00 0.00 64.34 61.95 3kda n VAL 213 Cb 0.25 -0.70 -0.07 0.00 -1.47 0.00 0.00 33.84 31.85 3kda n VAL 213 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3kda s PHE 214 N -2.62 3.52 0.78 6.34 0.08 -0.87 -4.97 117.98 120.23 3kda s PHE 214 Ca 0.20 -2.25 -0.11 0.00 0.12 0.00 0.00 56.93 54.90 3kda s PHE 214 Cb 0.15 -3.47 0.06 0.00 -0.57 0.00 0.00 43.02 39.19 3kda s PHE 214 CO 0.35 -0.93 1.10 -1.54 -0.10 0.00 0.00 175.22 174.10 3kda s SER 215 N 1.73 4.39 0.30 1.36 1.04 -1.26 -4.84 113.70 116.42 3kda s SER 215 Ca 0.14 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.43 3kda s SER 215 Cb -0.19 -2.53 0.51 0.00 0.10 0.00 0.00 66.02 63.91 3kda s SER 215 CO -0.04 -2.11 1.93 -0.33 0.98 0.00 0.00 173.24 173.67 3kda h GLU 216 N -1.13 1.01 -0.45 4.02 4.39 -1.97 -1.75 114.58 118.70 3kda h GLU 216 Ca -0.44 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.17 3kda h GLU 216 Cb 1.24 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.64 3kda h GLU 216 CO 0.51 0.67 0.14 -0.09 -1.16 0.00 0.00 179.01 179.08 3kda h ARG 217 N 1.04 0.70 -0.82 2.33 9.65 -1.99 -0.68 114.38 124.61 3kda h ARG 217 Ca 0.36 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 59.07 3kda h ARG 217 Cb 0.09 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.53 3kda h ARG 217 CO -0.12 0.67 0.46 1.25 2.80 0.00 0.00 179.97 185.03 3kda h LEU 218 N 0.59 1.01 -0.88 3.80 5.85 -1.79 -1.35 115.31 122.54 3kda h LEU 218 Ca 0.15 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 3kda h LEU 218 Cb 0.26 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3kda h LEU 218 CO -0.01 0.81 0.12 -0.07 -0.34 0.00 0.00 178.44 178.95 3kda h LEU 219 N 1.13 0.89 -0.52 2.25 3.38 -1.13 -1.75 115.31 119.56 3kda h LEU 219 Ca 0.29 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3kda h LEU 219 Cb 0.01 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3kda h LEU 219 CO -0.05 0.88 0.28 0.44 0.09 0.00 0.00 178.44 180.09 3kda h ASP 220 N 0.90 0.42 -0.05 -0.43 3.32 -0.41 -0.36 116.42 119.80 3kda h ASP 220 Ca 0.19 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 3kda h ASP 220 Cb 0.36 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3kda h ASP 220 CO 0.00 0.29 0.02 -0.07 -1.72 0.00 0.00 179.24 177.77 3kda h LEU 221 N 0.55 0.07 -0.78 1.55 3.38 -0.80 -1.24 115.31 118.03 3kda h LEU 221 Ca 0.23 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3kda h LEU 221 Cb 0.11 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3kda h LEU 221 CO -0.14 0.19 0.29 1.88 0.09 0.00 0.00 178.44 180.75 3kda h TYR 222 N -0.07 1.21 -0.57 1.13 0.05 -1.24 -2.82 116.97 114.66 3kda h TYR 222 Ca 0.02 -0.10 -0.11 0.00 0.05 0.00 0.00 58.73 58.59 3kda h TYR 222 Cb 0.15 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.51 3kda h TYR 222 CO -0.03 0.92 -0.07 0.00 -1.05 0.00 0.00 178.16 177.94 3kda h ALA 223 N 1.16 0.80 -0.04 3.88 0.00 -0.92 -2.43 119.26 121.70 3kda h ALA 223 Ca 0.26 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3kda h ALA 223 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kda h ALA 223 CO -0.02 0.67 -0.29 0.07 0.00 0.00 0.00 179.25 179.68 3kda h ARG 224 N 0.94 0.06 0.21 0.00 0.11 -1.07 -0.72 114.38 113.91 3kda h ARG 224 Ca 0.15 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.20 3kda h ARG 224 Cb 0.63 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.71 3kda h ARG 224 CO 0.04 0.35 -0.10 1.03 0.10 0.00 0.00 179.97 181.39 3kda h SER 225 N 0.06 -0.24 0.86 0.08 0.87 -1.25 -3.26 113.55 110.67 3kda h SER 225 Ca 0.01 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3kda h SER 225 Cb 0.55 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 3kda h SER 225 CO 0.04 0.24 0.00 0.00 -0.53 0.00 0.00 176.83 176.58 3kda n TYR 226 N -5.00 0.18 0.41 2.24 -0.00 -0.94 -2.53 117.16 111.52 3kda n TYR 226 Ca -0.08 0.06 0.13 0.00 -0.00 0.00 0.00 57.90 58.01 3kda n TYR 226 Cb 0.26 -0.59 0.44 0.00 -0.00 0.00 0.00 39.34 39.44 3kda n TYR 226 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3kda h ALA 227 N 2.71 1.00 -2.18 -3.48 0.00 -1.17 -1.90 119.26 114.25 3kda h ALA 227 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 3kda h ALA 227 Cb 0.43 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.27 3kda h ALA 227 CO 0.00 0.00 0.79 1.63 0.00 0.00 0.00 179.25 181.67 3kda n LYS 228 N -2.60 2.03 -0.34 0.00 5.02 -1.05 -4.71 118.16 116.50 3kda n LYS 228 Ca 0.03 0.73 0.09 0.00 -2.02 0.00 0.00 58.31 57.15 3kda n LYS 228 Cb 0.37 -2.50 0.26 0.00 -0.02 0.00 0.00 35.03 33.15 3kda n LYS 228 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3kda h PRO 229 N 6.09 0.81 0.00 1.97 0.11 -1.92 0.19 132.00 139.26 3kda h PRO 229 Ca -0.46 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 3kda h PRO 229 Cb 1.26 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3kda h PRO 229 CO 0.88 0.54 -0.32 1.12 -0.21 0.00 0.00 178.00 180.01 3kda h HIS 230 N 0.83 0.00 0.08 0.65 2.07 -1.92 -2.05 115.15 114.82 3kda h HIS 230 Ca 0.52 0.00 -0.25 0.00 -2.85 0.00 0.00 60.37 57.78 3kda h HIS 230 Cb 0.66 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.63 3kda h HIS 230 CO -0.02 0.32 -1.16 0.77 -3.07 0.00 0.00 177.93 174.77 3kda h SER 231 N 0.00 0.27 -0.37 3.10 0.02 -0.81 -1.06 113.55 114.70 3kda h SER 231 Ca -0.00 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 3kda h SER 231 Cb 0.74 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 3kda h SER 231 CO 0.04 1.23 0.14 0.25 -1.14 0.00 0.00 176.83 177.34 3kda h LEU 232 N 0.05 0.52 -0.22 5.07 5.85 -0.07 -0.73 115.31 125.77 3kda h LEU 232 Ca -0.09 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 3kda h LEU 232 Cb 1.90 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 3kda h LEU 232 CO 0.18 0.56 0.02 -1.13 -0.34 0.00 0.00 178.44 177.73 3kda h ASN 233 N 0.45 0.36 -0.71 1.25 -0.73 -1.43 -3.06 115.58 111.71 3kda h ASN 233 Ca 0.12 -0.28 0.09 0.00 1.87 0.00 0.00 56.30 58.10 3kda h ASN 233 Cb 0.21 -0.10 -0.07 0.00 0.27 0.00 0.00 38.32 38.63 3kda h ASN 233 CO -0.01 0.55 0.36 0.00 -0.37 0.00 0.00 177.43 177.97 3kda h ALA 234 N 0.82 0.98 -0.68 1.57 0.00 -1.07 -0.26 119.26 120.62 3kda h ALA 234 Ca 0.07 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.17 3kda h ALA 234 Cb 0.35 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 17.96 3kda h ALA 234 CO 0.01 -0.03 -0.11 0.77 0.00 0.00 0.00 179.25 179.89 3kda h SER 235 N 0.62 -0.52 1.35 0.00 0.02 -1.03 -2.13 113.55 111.86 3kda h SER 235 Ca 0.35 0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 61.39 3kda h SER 235 Cb 0.34 0.38 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 3kda h SER 235 CO -0.26 -0.20 -0.68 -0.26 -1.14 0.00 0.00 176.83 174.30 3kda h PHE 236 N 0.03 0.00 -0.01 3.45 0.04 -1.22 -3.22 116.94 116.01 3kda h PHE 236 Ca 0.34 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.09 3kda h PHE 236 Cb 0.55 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.69 3kda h PHE 236 CO -0.49 0.41 -0.08 0.93 -0.60 0.00 0.00 178.31 178.47 3kda h GLU 237 N 0.00 0.02 -0.64 1.51 4.39 -0.41 0.10 114.58 119.55 3kda h GLU 237 Ca -0.04 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.67 3kda h GLU 237 Cb 1.34 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.96 3kda h GLU 237 CO 0.05 0.10 0.43 1.88 -1.16 0.00 0.00 179.01 180.30 3kda h TYR 238 N 0.02 0.79 0.07 4.33 0.05 -1.52 -1.26 116.97 119.45 3kda h TYR 238 Ca 0.00 0.02 -0.25 0.00 0.05 0.00 0.00 58.73 58.56 3kda h TYR 238 Cb 0.16 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 3kda h TYR 238 CO 0.00 0.49 -1.12 1.88 -1.05 0.00 0.00 178.16 178.35 3kda h TYR 239 N 0.84 0.32 0.00 4.88 0.05 -1.26 -2.94 116.97 118.86 3kda h TYR 239 Ca 0.24 -0.23 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3kda h TYR 239 Cb -0.05 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 3kda h TYR 239 CO -0.00 1.16 -0.05 0.00 -1.05 0.00 0.00 178.16 178.22 3kda h ARG 240 N 0.06 0.00 -0.02 4.88 3.08 -0.56 -1.82 114.38 120.00 3kda h ARG 240 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3kda h ARG 240 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.90 3kda h ARG 240 CO 0.17 0.05 -0.05 0.00 -1.07 0.00 0.00 179.97 179.07 3kda n ALA 241 N -2.14 2.62 -0.12 0.04 0.00 -0.52 -4.61 120.51 115.79 3kda n ALA 241 Ca -0.01 -0.56 -0.07 0.00 0.00 0.00 0.00 53.44 52.80 3kda n ALA 241 Cb 0.26 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 18.74 3kda n ALA 241 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3kda h LEU 242 N 3.31 0.31 -1.20 0.00 5.85 -1.15 -0.17 115.31 122.27 3kda h LEU 242 Ca 0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3kda h LEU 242 Cb 0.73 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3kda h LEU 242 CO 0.00 0.23 0.26 0.78 -0.34 0.00 0.00 178.44 179.37 3kda h ASN 243 N 0.42 0.74 -0.57 1.25 -0.26 -1.81 0.79 115.58 116.13 3kda h ASN 243 Ca 0.16 -0.08 -0.06 0.00 -0.56 0.00 0.00 56.30 55.76 3kda h ASN 243 Cb 0.05 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.10 3kda h ASN 243 CO -0.10 0.64 0.11 -0.08 -1.06 0.00 0.00 177.43 176.94 3kda h GLU 244 N 0.82 0.93 -0.70 0.81 4.81 -1.69 -1.60 114.58 117.95 3kda h GLU 244 Ca 0.20 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3kda h GLU 244 Cb 0.11 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3kda h GLU 244 CO -0.02 0.88 0.46 0.77 -0.73 0.00 0.00 179.01 180.36 3kda h SER 245 N 0.83 0.80 -0.49 1.04 0.02 -0.15 0.90 113.55 116.50 3kda h SER 245 Ca 0.17 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.16 3kda h SER 245 Cb 0.39 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 3kda h SER 245 CO 0.01 0.59 0.20 0.58 -1.14 0.00 0.00 176.83 177.06 3kda h VAL 246 N 0.94 0.87 -0.66 2.27 2.07 -0.62 0.39 116.25 121.52 3kda h VAL 246 Ca 0.25 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.56 3kda h VAL 246 Cb -0.10 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3kda h VAL 246 CO -0.05 0.07 0.10 0.03 0.02 0.00 0.00 177.57 177.74 3kda h ARG 247 N 0.39 1.09 -0.54 1.57 3.08 -0.54 -1.74 114.38 117.70 3kda h ARG 247 Ca 0.23 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 59.99 3kda h ARG 247 Cb 0.21 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3kda h ARG 247 CO -0.21 1.01 0.35 1.96 -1.07 0.00 0.00 179.97 182.00 3kda h GLN 248 N 1.01 0.69 0.00 0.04 4.20 -0.52 -2.94 115.11 117.59 3kda h GLN 248 Ca 0.20 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 3kda h GLN 248 Cb 0.45 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3kda h GLN 248 CO 0.01 0.46 -0.23 -0.91 -0.67 0.00 0.00 178.83 177.49 3kda h ASN 249 N 0.71 0.00 -0.06 1.46 2.35 -0.48 -2.04 115.58 117.52 3kda h ASN 249 Ca 0.20 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3kda h ASN 249 Cb -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3kda h ASN 249 CO -0.05 0.23 -0.02 0.00 -1.65 0.00 0.00 177.43 175.94 3kda h ALA 250 N 1.77 1.68 0.14 -0.83 0.00 -1.14 -0.13 119.26 120.75 3kda h ALA 250 Ca -0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.52 3kda h ALA 250 Cb 0.74 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.46 3kda h ALA 250 CO 0.03 0.24 -1.33 0.93 0.00 0.00 0.00 179.25 179.12 3kda h GLU 251 N 0.22 0.30 -0.48 0.00 4.39 -1.50 -3.37 114.58 114.14 3kda h GLU 251 Ca 0.05 -0.51 -0.00 0.00 0.34 0.00 0.00 59.36 59.24 3kda h GLU 251 Cb 0.19 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 3kda h GLU 251 CO 0.01 1.24 0.29 -0.07 -1.16 0.00 0.00 179.01 179.32 3kda h LEU 252 N -0.23 0.57 0.00 1.33 3.38 -1.12 -2.73 115.31 116.52 3kda h LEU 252 Ca -0.27 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3kda h LEU 252 Cb 1.81 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.42 3kda h LEU 252 CO 0.11 0.44 0.00 0.00 0.09 0.00 0.00 178.44 179.08 3kda n ALA 253 N -2.46 1.96 0.30 1.53 0.00 -0.09 -1.69 120.51 120.07 3kda n ALA 253 Ca 0.04 -0.08 0.15 0.00 0.00 0.00 0.00 53.44 53.55 3kda n ALA 253 Cb 0.08 -1.27 0.70 0.00 0.00 0.00 0.00 19.45 18.96 3kda n ALA 253 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kda h LYS 254 N 0.00 0.00 -4.85 0.00 1.57 -1.69 -3.39 116.57 108.22 3kda h LYS 254 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 3kda h LYS 254 Cb 0.11 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.16 3kda h LYS 254 CO 0.00 0.00 -0.63 0.99 -0.57 0.00 0.00 179.45 179.24 3kda s THR 255 N -3.61 3.96 0.46 -0.16 2.01 -0.68 -5.10 115.64 112.52 3kda s THR 255 Ca 0.00 -0.58 -0.23 0.00 0.31 0.00 0.00 61.69 61.19 3kda s THR 255 Cb 0.09 -2.98 -0.07 0.00 0.01 0.00 0.00 72.50 69.55 3kda s THR 255 CO 0.39 0.16 1.17 -0.60 -0.69 0.00 0.00 174.62 175.06 3kda s ARG 256 N 1.52 3.75 0.06 4.92 3.52 -1.26 -5.00 118.95 126.44 3kda s ARG 256 Ca 0.04 1.80 -0.30 0.00 -0.13 0.00 0.00 55.73 57.13 3kda s ARG 256 Cb -0.16 -2.41 -0.05 0.00 -1.56 0.00 0.00 34.95 30.76 3kda s ARG 256 CO 0.02 -0.57 1.04 -0.51 -0.81 0.00 0.00 175.30 174.47 3kda s LEU 257 N -3.02 4.41 -0.00 -0.88 1.43 0.42 -4.95 118.68 116.09 3kda s LEU 257 Ca 0.64 1.82 0.12 0.00 -1.03 0.00 0.00 54.13 55.67 3kda s LEU 257 Cb -0.29 -3.58 -0.14 0.00 0.03 0.00 0.00 46.19 42.21 3kda s LEU 257 CO 0.35 -0.26 0.48 0.00 0.23 0.00 0.00 176.35 177.15 3kda n GLN 258 N 3.50 2.63 -2.27 1.70 1.13 -1.26 -1.60 117.38 121.22 3kda n GLN 258 Ca 0.06 -0.02 -0.32 0.00 -1.94 0.00 0.00 57.00 54.78 3kda n GLN 258 Cb 0.49 -1.10 -0.02 0.00 0.11 0.00 0.00 30.24 29.72 3kda n GLN 258 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kda s MET 259 N -2.24 3.80 0.18 -1.09 0.23 -1.26 -4.74 119.30 114.18 3kda s MET 259 Ca 0.03 0.96 -0.32 0.00 -1.03 0.00 0.00 55.69 55.33 3kda s MET 259 Cb 0.09 -2.11 -0.12 0.00 -1.53 0.00 0.00 34.83 31.16 3kda s MET 259 CO 0.50 -0.40 1.73 -2.30 -2.03 0.00 0.00 175.02 172.52 3kda n PRO 260 N -1.82 2.69 -4.47 3.16 -0.02 -1.26 -4.53 135.00 128.75 3kda n PRO 260 Ca 0.07 0.97 -0.22 0.00 -2.02 0.00 0.00 63.50 62.30 3kda n PRO 260 Cb 0.54 -2.82 -0.14 0.00 -0.02 0.00 0.00 33.50 31.07 3kda n PRO 260 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3kda s THR 261 N 1.45 1.28 -0.04 3.45 2.01 0.17 -1.41 115.64 122.55 3kda s THR 261 Ca 0.77 -1.02 0.04 0.00 0.31 0.00 0.00 61.69 61.79 3kda s THR 261 Cb -0.53 -1.13 -0.00 0.00 0.01 0.00 0.00 72.50 70.85 3kda s THR 261 CO 0.34 0.10 -0.14 -0.32 -0.69 0.00 0.00 174.62 173.91 3kda s MET 262 N -1.07 1.46 0.03 4.92 1.75 0.15 -1.49 119.30 125.06 3kda s MET 262 Ca 0.04 -0.49 0.03 0.00 -1.25 0.00 0.00 55.69 54.02 3kda s MET 262 Cb -0.08 -1.30 -0.04 0.00 2.84 0.00 0.00 34.83 36.26 3kda s MET 262 CO 0.01 0.19 -0.00 0.95 -0.65 0.00 0.00 175.02 175.52 3kda s THR 263 N 0.11 4.09 0.03 10.11 -4.23 -0.08 -1.46 115.64 124.21 3kda s THR 263 Ca -0.04 -0.75 0.05 0.00 -1.18 0.00 0.00 61.69 59.78 3kda s THR 263 Cb -0.10 -2.87 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 3kda s THR 263 CO 0.02 0.28 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.46 3kda s LEU 264 N -1.83 2.14 0.03 4.79 1.43 -0.72 -1.47 118.68 123.04 3kda s LEU 264 Ca 0.22 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 3kda s LEU 264 Cb -0.12 -0.72 0.01 0.00 0.03 0.00 0.00 46.19 45.39 3kda s LEU 264 CO 0.13 0.09 0.25 0.00 0.23 0.00 0.00 176.35 177.06 3kda s ALA 265 N -0.73 -0.56 0.18 4.21 0.00 -0.77 -2.14 121.76 121.96 3kda s ALA 265 Ca 0.04 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 3kda s ALA 265 Cb -0.08 0.23 -0.08 0.00 0.00 0.00 0.00 23.12 23.20 3kda s ALA 265 CO 0.01 -0.34 0.94 0.20 0.00 0.00 0.00 175.76 176.57 3kda s GLY 266 N -1.84 3.06 0.00 0.00 0.00 -1.24 -0.56 107.32 106.75 3kda s GLY 266 Ca -0.08 0.59 0.24 0.00 0.00 0.00 0.00 44.72 45.47 3kda s GLY 266 CO -0.01 1.29 1.30 0.61 0.00 0.00 0.00 173.10 176.28 3kda n GLY 267 N 1.81 -1.13 2.27 0.20 0.00 -0.02 -1.30 105.19 107.02 3kda n GLY 267 Ca -0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 3kda n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kda n GLY 268 N 1.49 0.62 3.71 -0.02 0.00 0.44 -4.80 105.19 106.62 3kda n GLY 268 Ca 0.06 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 3kda n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kda n ALA 269 N -2.97 1.86 0.00 4.61 0.00 -1.26 -1.68 120.51 121.08 3kda n ALA 269 Ca -0.10 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3kda n ALA 269 Cb 0.34 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.42 3kda n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kda n GLY 270 N 2.38 2.52 3.94 0.00 0.00 -1.26 -2.43 105.19 110.34 3kda n GLY 270 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 3kda n GLY 270 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kda s GLY 271 N -2.29 1.72 0.09 -0.02 0.00 -0.67 -3.44 107.32 102.71 3kda s GLY 271 Ca 0.00 -1.13 0.23 0.00 0.00 0.00 0.00 44.72 43.83 3kda s GLY 271 CO 0.00 -0.65 1.08 1.03 0.00 0.00 0.00 173.10 174.56 3kda n MET 272 N -2.98 0.37 0.00 2.90 2.00 -1.19 -4.91 117.12 113.30 3kda n MET 272 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.84 3kda n MET 272 Cb 0.60 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 32.16 3kda n MET 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3kda n GLY 273 N 1.32 3.08 0.10 3.03 0.00 -0.42 -2.24 105.19 110.06 3kda n GLY 273 Ca 0.02 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.93 3kda n GLY 273 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kda n THR 274 N 0.00 0.86 -0.37 2.61 -2.24 -1.26 -3.37 114.28 110.51 3kda n THR 274 Ca 0.00 0.22 0.02 0.00 -2.27 0.00 0.00 64.05 62.03 3kda n THR 274 Cb 0.00 -1.11 0.17 0.00 -2.10 0.00 0.00 70.33 67.29 3kda n THR 274 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3kda h PHE 275 N 0.00 1.20 0.30 4.78 3.04 -1.88 -2.37 116.94 122.01 3kda h PHE 275 Ca 0.00 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 3kda h PHE 275 Cb 0.35 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 38.47 3kda h PHE 275 CO 0.00 0.62 -0.14 0.37 -2.02 0.00 0.00 178.31 177.14 3kda h GLN 276 N 1.17 -0.39 -0.52 1.11 5.75 -1.74 -0.85 115.11 119.64 3kda h GLN 276 Ca 0.43 0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.85 3kda h GLN 276 Cb 0.16 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 3kda h GLN 276 CO -0.17 -0.22 -0.10 1.25 -2.65 0.00 0.00 178.83 176.93 3kda h LEU 277 N -0.45 0.98 -0.71 -2.39 5.85 -1.80 -1.94 115.31 114.85 3kda h LEU 277 Ca -0.04 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3kda h LEU 277 Cb 0.34 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3kda h LEU 277 CO 0.07 1.10 0.39 -0.33 -0.34 0.00 0.00 178.44 179.33 3kda h GLU 278 N 0.85 0.99 -0.19 1.25 4.39 -1.20 -0.31 114.58 120.35 3kda h GLU 278 Ca 0.13 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 3kda h GLU 278 Cb 0.66 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 3kda h GLU 278 CO 0.05 0.74 0.03 0.37 -1.16 0.00 0.00 179.01 179.04 3kda h GLN 279 N 0.98 0.32 -0.03 2.33 4.15 -1.14 -3.16 115.11 118.56 3kda h GLN 279 Ca 0.25 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 3kda h GLN 279 Cb 0.03 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 3kda h GLN 279 CO -0.04 0.49 -0.02 1.98 -1.93 0.00 0.00 178.83 179.30 3kda h MET 280 N 0.11 0.04 -0.02 1.69 4.05 -0.61 0.27 114.93 120.47 3kda h MET 280 Ca 0.06 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 3kda h MET 280 Cb 0.32 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 3kda h MET 280 CO 0.00 0.07 0.01 0.87 0.23 0.00 0.00 176.91 178.10 3kda h LYS 281 N 0.04 0.00 0.00 0.39 1.57 -1.04 0.11 116.57 117.64 3kda h LYS 281 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3kda h LYS 281 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3kda h LYS 281 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 3kda h ALA 282 N 1.99 1.00 0.00 3.86 0.00 -1.03 -3.35 119.26 121.73 3kda h ALA 282 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 3kda h ALA 282 Cb 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3kda h ALA 282 CO -0.00 0.00 -2.03 0.66 0.00 0.00 0.00 179.25 177.88 3kda n TYR 283 N -2.66 0.00 -4.95 0.00 4.02 -0.07 -5.02 117.16 108.48 3kda n TYR 283 Ca 0.05 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.67 3kda n TYR 283 Cb 0.48 -0.72 -0.16 0.00 -0.02 0.00 0.00 39.34 38.92 3kda n TYR 283 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kda s ALA 284 N -2.49 1.65 0.16 -0.72 0.00 0.20 -0.43 121.76 120.13 3kda s ALA 284 Ca -0.07 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 3kda s ALA 284 Cb 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3kda s ALA 284 CO 0.65 0.36 1.38 0.93 0.00 0.00 0.00 175.76 179.08 3kda h GLU 285 N 5.91 0.34 -3.08 0.00 4.39 -1.61 -3.42 114.58 117.12 3kda h GLU 285 Ca -0.36 -0.32 -0.62 0.00 0.34 0.00 0.00 59.36 58.40 3kda h GLU 285 Cb 1.16 0.08 -0.41 0.00 -0.10 0.00 0.00 28.75 29.48 3kda h GLU 285 CO 0.48 1.00 -0.69 0.34 -1.16 0.00 0.00 179.01 178.97 3kda s ASP 286 N -6.99 3.90 -0.00 1.42 2.15 -1.26 -5.08 116.67 110.80 3kda s ASP 286 Ca -0.05 -3.00 0.02 0.00 0.43 0.00 0.00 52.55 49.95 3kda s ASP 286 Cb 0.10 -1.28 -0.00 0.00 -0.30 0.00 0.00 42.92 41.43 3kda s ASP 286 CO 0.84 -0.21 -0.06 0.54 -0.17 0.00 0.00 175.17 176.11 3kda s VAL 287 N -0.20 0.49 0.13 1.11 0.11 -1.26 -0.65 120.40 120.14 3kda s VAL 287 Ca 0.20 -0.27 0.07 0.00 -2.93 0.00 0.00 61.98 59.05 3kda s VAL 287 Cb -0.19 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 3kda s VAL 287 CO -0.04 0.13 -0.17 -1.83 -3.33 0.00 0.00 175.10 169.86 3kda s GLU 288 N -0.16 1.13 0.05 1.54 -1.05 -0.55 -4.99 118.70 114.67 3kda s GLU 288 Ca 0.02 -1.28 -0.00 0.00 -0.15 0.00 0.00 54.97 53.56 3kda s GLU 288 Cb -0.02 -1.15 -0.04 0.00 -0.44 0.00 0.00 34.13 32.48 3kda s GLU 288 CO -0.00 0.24 -0.04 0.20 0.95 0.00 0.00 175.26 176.61 3kda s GLY 289 N -2.43 0.47 0.01 -3.83 0.00 -1.26 -0.90 107.32 99.39 3kda s GLY 289 Ca 0.11 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 43.75 3kda s GLY 289 CO 0.05 -1.19 -0.04 0.30 0.00 0.00 0.00 173.10 172.22 3kda s HIS 290 N -3.27 0.36 -0.14 1.90 3.76 -0.54 -4.95 115.29 112.41 3kda s HIS 290 Ca 0.02 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 3kda s HIS 290 Cb 0.03 -0.23 -0.01 0.00 1.11 0.00 0.00 32.58 33.49 3kda s HIS 290 CO -0.07 -0.06 -0.15 0.08 -0.85 0.00 0.00 174.74 173.69 3kda s VAL 291 N -0.66 2.82 -0.40 -0.90 1.01 -1.26 -1.84 120.40 119.16 3kda s VAL 291 Ca -0.05 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 3kda s VAL 291 Cb -0.05 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 34.19 3kda s VAL 291 CO -0.00 0.52 0.27 -0.76 0.00 0.00 0.00 175.10 175.13 3kda s LEU 292 N 0.52 5.01 0.49 3.92 1.43 0.28 -4.80 118.68 125.53 3kda s LEU 292 Ca -0.10 -1.06 -0.23 0.00 -1.03 0.00 0.00 54.13 51.71 3kda s LEU 292 Cb -0.16 -2.08 -0.06 0.00 0.03 0.00 0.00 46.19 43.91 3kda s LEU 292 CO 0.04 -0.46 1.27 -2.84 0.23 0.00 0.00 176.35 174.60 3kda s PRO 293 N 1.59 3.50 0.00 1.29 0.02 -1.26 -0.84 135.00 139.30 3kda s PRO 293 Ca 0.03 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.09 3kda s PRO 293 Cb -0.20 -2.38 0.00 0.00 0.02 0.00 0.00 34.50 31.94 3kda s PRO 293 CO 0.07 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 3kda n GLY 294 N 0.60 0.65 3.05 0.52 0.00 -1.26 -4.87 105.19 103.87 3kda n GLY 294 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 3kda n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kda n GLY 296 N 2.23 0.62 0.09 0.00 0.00 -1.26 -0.42 105.19 106.44 3kda n GLY 296 Ca -0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 3kda n GLY 296 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3kda h HIS 297 N 0.00 0.08 -2.29 1.61 2.76 -1.17 -3.28 115.15 112.86 3kda h HIS 297 Ca 0.00 -0.05 -0.79 0.00 -2.20 0.00 0.00 60.37 57.33 3kda h HIS 297 Cb 0.00 -0.01 -0.23 0.00 1.55 0.00 0.00 27.41 28.72 3kda h HIS 297 CO 0.00 0.96 1.27 0.91 -1.30 0.00 0.00 177.93 179.76 3kda n TRP 298 N -3.48 2.50 -0.26 5.26 7.02 -1.26 -4.84 117.44 122.38 3kda n TRP 298 Ca -0.01 -2.64 -0.00 0.00 -1.02 0.00 0.00 57.50 53.83 3kda n TRP 298 Cb 0.88 -1.46 0.12 0.00 -2.42 0.00 0.00 31.31 28.42 3kda n TRP 298 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3kda h LEU 299 N 5.88 0.62 -2.15 -0.99 3.38 -1.96 0.11 115.31 120.20 3kda h LEU 299 Ca 0.34 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 3kda h LEU 299 Cb 0.55 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3kda h LEU 299 CO 1.40 0.39 -0.00 -0.65 0.09 0.00 0.00 178.44 179.67 3kda h PRO 300 N 0.75 0.00 0.02 1.13 0.11 -1.87 0.74 132.00 132.87 3kda h PRO 300 Ca 0.33 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 66.07 3kda h PRO 300 Cb 0.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.27 3kda h PRO 300 CO -0.19 0.00 -2.09 0.39 -0.21 0.00 0.00 178.00 175.90 3kda n GLU 301 N -4.30 0.61 0.14 1.05 4.71 -0.79 -3.51 120.64 118.56 3kda n GLU 301 Ca -0.03 0.34 -0.01 0.00 -0.01 0.00 0.00 57.16 57.45 3kda n GLU 301 Cb 0.09 -1.60 0.21 0.00 -1.01 0.00 0.00 31.44 29.13 3kda n GLU 301 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3kda h GLU 302 N -0.70 0.04 -0.67 3.49 5.08 -0.77 -3.32 114.58 117.72 3kda h GLU 302 Ca -0.55 -0.02 -0.37 0.00 -1.00 0.00 0.00 59.36 57.42 3kda h GLU 302 Cb 1.62 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.47 3kda h GLU 302 CO -0.24 0.58 -1.01 0.00 -1.00 0.00 0.00 179.01 177.34 3kda h ALA 304 N 2.53 0.00 0.17 0.00 0.00 -1.58 -0.29 119.26 120.08 3kda h ALA 304 Ca 0.05 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kda h ALA 304 Cb 1.32 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3kda h ALA 304 CO 0.44 -0.59 -0.08 0.00 0.00 0.00 0.00 179.25 179.02 3kda h ALA 305 N 0.99 -0.22 -0.62 0.00 0.00 -1.91 -0.17 119.26 117.33 3kda h ALA 305 Ca 0.14 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3kda h ALA 305 Cb 0.37 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3kda h ALA 305 CO -0.35 -0.47 0.10 -1.00 0.00 0.00 0.00 179.25 177.53 3kda h PRO 306 N -0.53 1.01 -0.42 0.00 0.13 -1.95 -1.24 132.00 129.00 3kda h PRO 306 Ca -0.02 -0.26 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 3kda h PRO 306 Cb 0.41 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.39 3kda h PRO 306 CO 0.04 0.93 0.17 1.98 -0.23 0.00 0.00 178.00 180.89 3kda h MET 307 N 0.95 0.63 -0.51 0.86 4.05 -1.04 -1.10 114.93 118.78 3kda h MET 307 Ca 0.19 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 3kda h MET 307 Cb 0.41 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 3kda h MET 307 CO 0.01 0.58 0.29 -0.91 0.23 0.00 0.00 176.91 177.11 3kda h ASN 308 N 0.54 0.63 -0.34 1.39 2.35 -0.81 -1.45 115.58 117.89 3kda h ASN 308 Ca 0.14 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3kda h ASN 308 Cb 0.18 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3kda h ASN 308 CO -0.01 0.53 0.21 -0.09 -1.65 0.00 0.00 177.43 176.41 3kda h ARG 309 N 0.68 0.46 -0.53 0.81 9.65 -1.05 -0.11 114.38 124.28 3kda h ARG 309 Ca 0.18 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.96 3kda h ARG 309 Cb 0.03 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 3kda h ARG 309 CO -0.03 0.34 0.10 -0.07 2.80 0.00 0.00 179.97 183.11 3kda h LEU 310 N 0.45 0.83 0.05 3.80 3.38 -0.98 -0.92 115.31 121.91 3kda h LEU 310 Ca 0.12 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3kda h LEU 310 Cb -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3kda h LEU 310 CO -0.02 0.87 -0.02 0.58 0.09 0.00 0.00 178.44 179.93 3kda h VAL 311 N 0.76 1.09 -0.49 1.22 2.07 -1.14 -1.58 116.25 118.18 3kda h VAL 311 Ca 0.16 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.25 3kda h VAL 311 Cb 0.38 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3kda h VAL 311 CO 0.01 0.12 0.30 0.40 0.02 0.00 0.00 177.57 178.41 3kda h ILE 312 N -0.26 1.07 -0.51 4.57 2.04 -0.89 -1.32 117.51 122.20 3kda h ILE 312 Ca -0.01 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 3kda h ILE 312 Cb 0.24 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3kda h ILE 312 CO 0.01 0.11 0.10 0.44 0.00 0.00 0.00 178.15 178.81 3kda h ASP 313 N 0.61 0.79 -0.49 1.72 3.32 -1.18 -0.80 116.42 120.38 3kda h ASP 313 Ca 0.19 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3kda h ASP 313 Cb -0.01 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3kda h ASP 313 CO -0.08 0.84 0.19 0.15 -1.72 0.00 0.00 179.24 178.62 3kda h PHE 314 N 0.71 0.75 0.00 4.55 3.57 -1.01 -2.81 116.94 122.70 3kda h PHE 314 Ca 0.16 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.50 3kda h PHE 314 Cb 0.37 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3kda h PHE 314 CO 0.03 0.63 -0.46 -0.07 -2.23 0.00 0.00 178.31 176.21 3kda h LEU 315 N 0.65 0.00 0.00 0.59 3.38 -1.16 -3.05 115.31 115.73 3kda h LEU 315 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3kda h LEU 315 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kda h LEU 315 CO -0.01 0.46 0.00 -1.20 0.09 0.00 0.00 178.44 177.77 3kda n SER 316 N -3.42 0.00 0.13 -0.43 7.64 -0.32 -2.21 113.62 115.01 3kda n SER 316 Ca 0.00 -0.47 0.12 0.00 1.01 0.00 0.00 58.87 59.54 3kda n SER 316 Cb 0.61 -0.16 0.48 0.00 -1.01 0.00 0.00 64.21 64.13 3kda n SER 316 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3kda h ARG 317 N 0.00 0.00 -6.48 1.43 3.08 -1.43 -3.45 114.38 107.53 3kda h ARG 317 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 3kda h ARG 317 Cb 0.14 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.21 3kda h ARG 317 CO 0.00 0.00 -0.21 0.20 -1.07 0.00 0.00 179.97 178.89 3kda s GLY 318 N -3.60 1.90 0.24 0.04 0.00 -0.94 -5.06 107.32 99.91 3kda s GLY 318 Ca 0.06 -1.85 -0.31 0.00 0.00 0.00 0.00 44.72 42.62 3kda s GLY 318 CO 0.45 -1.59 1.41 0.54 0.00 0.00 0.00 173.10 173.91 3kda n ARG 319 N -1.97 2.06 -3.90 2.90 1.74 -1.26 -4.98 116.66 111.24 3kda n ARG 319 Ca 0.10 0.73 -0.08 0.00 -0.77 0.00 0.00 57.85 57.83 3kda n ARG 319 Cb 0.60 -2.39 -0.02 0.00 -1.02 0.00 0.00 32.46 29.63 3kda n ARG 319 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 3kda s HIS 320 N -0.08 0.09 0.19 -1.55 -3.43 -1.26 -4.73 115.29 104.51 3kda s HIS 320 Ca 0.68 -0.54 -0.30 0.00 -0.80 0.00 0.00 55.06 54.10 3kda s HIS 320 Cb -0.64 0.54 -0.08 0.00 -1.43 0.00 0.00 32.58 30.97 3kda s HIS 320 CO 0.50 -1.22 1.04 -1.58 -2.00 0.00 0.00 174.74 171.47 3kda s HIS 321 N -3.63 3.72 -1.90 0.38 2.46 0.11 -4.97 115.29 111.46 3kda s HIS 321 Ca 0.16 1.73 0.15 0.00 0.47 0.00 0.00 55.06 57.57 3kda s HIS 321 Cb -0.04 -3.17 0.12 0.00 -0.13 0.00 0.00 32.58 29.37 3kda s HIS 321 CO 0.09 -0.19 0.98 0.72 -2.47 0.00 0.00 174.74 173.87