#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 3.33 0.32 0.00 0.41 -1.26 -4.99 118.70 116.51 3kda s GLU 26 Ca 0.00 -0.63 0.14 0.00 -0.41 0.00 0.00 54.97 54.07 3kda s GLU 26 Cb 0.00 -2.68 0.51 0.00 -1.78 0.00 0.00 34.13 30.18 3kda s GLU 26 CO 0.00 0.30 1.67 0.93 -0.49 0.00 0.00 175.26 177.67 3kda h GLU 27 N 6.46 0.00 -4.07 1.61 5.08 -2.00 -3.45 114.58 118.21 3kda h GLU 27 Ca -0.31 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.86 3kda h GLU 27 Cb 1.20 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.23 3kda h GLU 27 CO 0.57 0.50 -0.71 -0.06 -1.00 0.00 0.00 179.01 178.31 3kda s PHE 28 N -3.61 0.31 0.10 4.33 0.08 -1.26 -4.99 117.98 112.94 3kda s PHE 28 Ca -0.01 -0.48 -0.31 0.00 0.12 0.00 0.00 56.93 56.26 3kda s PHE 28 Cb 0.12 -0.21 -0.07 0.00 -0.57 0.00 0.00 43.02 42.28 3kda s PHE 28 CO 0.73 -0.16 1.36 -2.14 -0.10 0.00 0.00 175.22 174.91 3kda s PRO 29 N -1.35 4.33 -0.11 0.24 0.02 -1.26 -4.98 135.00 131.89 3kda s PRO 29 Ca -0.14 2.02 -0.26 0.00 0.02 0.00 0.00 61.00 62.64 3kda s PRO 29 Cb -0.09 -3.29 -0.02 0.00 0.02 0.00 0.00 34.50 31.12 3kda s PRO 29 CO -0.01 -0.42 0.84 0.08 -0.33 0.00 0.00 177.00 177.16 3kda s VAL 30 N 1.21 4.91 0.68 3.83 1.01 -1.26 -5.02 120.40 125.76 3kda s VAL 30 Ca 0.64 1.69 -0.17 0.00 0.00 0.00 0.00 61.98 64.14 3kda s VAL 30 Cb -0.35 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 31.87 3kda s VAL 30 CO 0.30 0.10 1.23 -2.65 0.00 0.00 0.00 175.10 174.08 3kda n PRO 31 N 4.68 0.89 -1.64 2.72 -0.02 -1.26 -4.88 135.00 135.49 3kda n PRO 31 Ca 0.04 0.36 -0.46 0.00 -2.02 0.00 0.00 63.50 61.42 3kda n PRO 31 Cb 0.50 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 3kda n PRO 31 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3kda n ASN 32 N -2.07 2.19 0.00 2.55 2.85 -1.26 -1.80 115.26 117.73 3kda n ASN 32 Ca 0.15 1.15 0.00 0.00 -0.11 0.00 0.00 54.58 55.77 3kda n ASN 32 Cb 0.48 -1.35 0.00 0.00 1.24 0.00 0.00 39.78 40.15 3kda n ASN 32 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3kda n GLY 33 N 1.99 0.77 3.59 8.20 0.00 -1.26 -5.01 105.19 113.47 3kda n GLY 33 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.86 2.57 -0.02 1.61 0.40 -0.74 -4.35 117.98 114.58 3kda s PHE 34 Ca 0.00 -0.25 0.05 0.00 -0.60 0.00 0.00 56.93 56.13 3kda s PHE 34 Cb 0.00 -1.14 -0.01 0.00 0.51 0.00 0.00 43.02 42.38 3kda s PHE 34 CO 0.00 0.65 -0.18 -1.83 0.70 0.00 0.00 175.22 174.56 3kda s GLU 35 N -3.60 1.60 -0.15 0.44 -1.05 -0.00 -4.84 118.70 111.09 3kda s GLU 35 Ca 0.31 -0.65 -0.23 0.00 -0.15 0.00 0.00 54.97 54.25 3kda s GLU 35 Cb -0.06 -1.49 -0.03 0.00 -0.44 0.00 0.00 34.13 32.11 3kda s GLU 35 CO 0.18 0.35 0.71 0.45 0.95 0.00 0.00 175.26 177.90 3kda s SER 36 N -0.28 6.86 0.28 0.83 0.15 -1.26 -1.23 113.70 119.04 3kda s SER 36 Ca 0.04 1.04 -0.04 0.00 0.70 0.00 0.00 55.95 57.69 3kda s SER 36 Cb -0.09 -2.40 -0.01 0.00 -1.71 0.00 0.00 66.02 61.81 3kda s SER 36 CO 0.00 -0.26 0.37 0.00 1.20 0.00 0.00 173.24 174.56 3kda s ALA 37 N 1.62 0.70 0.06 5.45 0.00 -0.28 -5.02 121.76 124.28 3kda s ALA 37 Ca 0.34 -1.44 0.04 0.00 0.00 0.00 0.00 51.96 50.90 3kda s ALA 37 Cb -0.17 1.22 -0.03 0.00 0.00 0.00 0.00 23.12 24.15 3kda s ALA 37 CO 0.13 -0.75 -0.11 0.71 0.00 0.00 0.00 175.76 175.74 3kda s TYR 38 N -3.62 0.95 -0.07 0.00 1.51 -1.26 -1.04 117.35 113.82 3kda s TYR 38 Ca 0.31 -0.47 -0.03 0.00 -1.01 0.00 0.00 57.07 55.87 3kda s TYR 38 Cb 0.02 -0.55 0.04 0.00 -0.11 0.00 0.00 41.96 41.36 3kda s TYR 38 CO 0.16 -0.01 0.15 0.50 -1.11 0.00 0.00 175.55 175.24 3kda s ARG 39 N -1.64 0.10 -0.05 -0.62 3.52 -0.30 -4.97 118.95 114.99 3kda s ARG 39 Ca -0.06 0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 55.62 3kda s ARG 39 Cb -0.10 -0.17 -0.03 0.00 -1.56 0.00 0.00 34.95 33.09 3kda s ARG 39 CO 0.01 -0.16 1.17 -2.00 -0.81 0.00 0.00 175.30 173.51 3kda s GLU 40 N 1.16 4.37 -0.13 5.12 2.56 -1.26 -1.28 118.70 129.25 3kda s GLU 40 Ca -0.09 1.63 -0.01 0.00 0.00 0.00 0.00 54.97 56.51 3kda s GLU 40 Cb -0.11 -3.54 0.03 0.00 2.00 0.00 0.00 34.13 32.51 3kda s GLU 40 CO -0.06 -0.40 -0.06 0.08 -0.56 0.00 0.00 175.26 174.26 3kda s VAL 41 N 2.06 0.98 -1.55 3.70 1.01 0.15 -4.78 120.40 121.97 3kda s VAL 41 Ca 0.55 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 3kda s VAL 41 Cb -0.24 -1.09 0.09 0.00 0.00 0.00 0.00 36.38 35.14 3kda s VAL 41 CO 0.22 0.24 0.79 0.47 0.00 0.00 0.00 175.10 176.83 3kda n ASP 42 N 4.94 -3.17 0.00 3.32 8.00 -1.26 -1.20 116.55 127.18 3kda n ASP 42 Ca -0.12 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.48 3kda n ASP 42 Cb 0.49 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.21 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 -1.63 0.57 3.22 0.44 0.00 -1.26 -4.88 105.19 101.65 3kda n GLY 43 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.30 2.52 -0.51 1.61 1.01 -0.34 -4.98 120.40 117.42 3kda s VAL 44 Ca 0.00 -0.81 -0.27 0.00 0.00 0.00 0.00 61.98 60.90 3kda s VAL 44 Cb 0.00 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.34 3kda s VAL 44 CO 0.00 0.51 1.06 -0.75 0.00 0.00 0.00 175.10 175.92 3kda s LYS 45 N 0.99 3.56 -0.08 2.72 2.20 -1.26 -0.67 119.74 127.20 3kda s LYS 45 Ca -0.02 0.25 -0.14 0.00 -0.36 0.00 0.00 55.97 55.70 3kda s LYS 45 Cb -0.15 -3.96 -0.05 0.00 -1.51 0.00 0.00 37.83 32.16 3kda s LYS 45 CO -0.03 -1.42 0.36 -0.51 -0.36 0.00 0.00 175.35 173.38 3kda s LEU 46 N 4.29 4.36 0.13 5.43 1.43 -0.40 -1.09 118.68 132.83 3kda s LEU 46 Ca 0.41 0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 54.12 3kda s LEU 46 Cb -0.09 -2.49 -0.07 0.00 0.03 0.00 0.00 46.19 43.58 3kda s LEU 46 CO 0.27 0.21 0.52 -2.28 0.23 0.00 0.00 176.35 175.30 3kda s HIS 47 N -0.33 3.61 0.16 0.29 5.65 -1.26 -1.15 115.29 122.27 3kda s HIS 47 Ca 0.21 1.02 -0.14 0.00 0.25 0.00 0.00 55.06 56.39 3kda s HIS 47 Cb -0.15 -2.33 0.02 0.00 -1.18 0.00 0.00 32.58 28.94 3kda s HIS 47 CO 0.09 0.46 0.41 1.52 -0.65 0.00 0.00 174.74 176.57 3kda s TYR 48 N -1.43 0.02 -0.08 3.88 1.13 -0.21 -0.88 117.35 119.78 3kda s TYR 48 Ca 0.36 -0.37 0.05 0.00 -1.41 0.00 0.00 57.07 55.70 3kda s TYR 48 Cb -0.15 0.21 -0.00 0.00 -1.10 0.00 0.00 41.96 40.92 3kda s TYR 48 CO 0.19 -0.79 -0.24 0.08 -2.51 0.00 0.00 175.55 172.28 3kda s VAL 49 N -3.88 1.99 -0.00 -3.49 1.01 -0.60 -1.12 120.40 114.31 3kda s VAL 49 Ca 0.10 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 3kda s VAL 49 Cb 0.01 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 3kda s VAL 49 CO -0.05 0.55 0.00 -0.75 0.00 0.00 0.00 175.10 174.86 3kda s LYS 50 N 0.15 0.04 0.01 2.72 2.20 -0.36 -0.94 119.74 123.56 3kda s LYS 50 Ca -0.12 -0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 55.15 3kda s LYS 50 Cb -0.16 0.01 0.10 0.00 -1.51 0.00 0.00 37.83 36.28 3kda s LYS 50 CO 0.06 -0.01 1.11 0.20 -0.36 0.00 0.00 175.35 176.36 3kda s GLY 51 N -0.13 -0.34 0.00 5.54 0.00 -0.63 -0.82 107.32 110.93 3kda s GLY 51 Ca -0.02 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.41 3kda s GLY 51 CO -0.00 0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.89 3kda n GLY 52 N -0.38 -4.13 3.15 0.20 0.00 -1.26 -0.25 105.19 102.51 3kda n GLY 52 Ca -0.06 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.80 3kda n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kda s GLN 53 N -0.96 0.68 0.00 1.61 -1.52 -1.09 -4.57 119.66 113.82 3kda s GLN 53 Ca 0.00 -0.90 0.00 0.00 -1.95 0.00 0.00 55.36 52.51 3kda s GLN 53 Cb 0.00 0.27 0.00 0.00 -0.22 0.00 0.00 33.01 33.06 3kda s GLN 53 CO 0.00 -0.18 0.00 0.41 -0.25 0.00 0.00 175.29 175.27 3kda n GLY 54 N 0.37 -0.59 3.70 3.09 0.00 -1.26 -2.61 105.19 107.88 3kda n GLY 54 Ca -0.17 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.28 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 1.09 -2.73 1.61 -0.02 -1.26 -2.96 135.00 130.72 3kda n PRO 55 Ca 0.00 0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 61.49 3kda n PRO 55 Cb 0.00 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.00 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 -3.65 4.50 -0.10 2.45 2.96 -1.26 -0.99 118.68 122.59 3kda s LEU 56 Ca 0.80 1.79 0.03 0.00 -0.22 0.00 0.00 54.13 56.53 3kda s LEU 56 Cb -0.39 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 42.72 3kda s LEU 56 CO 0.43 -0.06 -0.18 0.54 -1.32 0.00 0.00 176.35 175.75 3kda s VAL 57 N -0.03 1.67 -0.18 1.68 0.11 0.55 -0.60 120.40 123.61 3kda s VAL 57 Ca 0.47 -0.77 -0.07 0.00 -2.93 0.00 0.00 61.98 58.67 3kda s VAL 57 Cb -0.23 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.09 3kda s VAL 57 CO 0.30 0.47 0.07 -0.32 -3.33 0.00 0.00 175.10 172.29 3kda s MET 58 N 0.69 3.94 -0.19 1.54 1.75 -0.15 -1.13 119.30 125.75 3kda s MET 58 Ca -0.12 -0.32 -0.03 0.00 -1.25 0.00 0.00 55.69 53.96 3kda s MET 58 Cb -0.16 -3.22 -0.01 0.00 2.84 0.00 0.00 34.83 34.27 3kda s MET 58 CO 0.03 0.32 -0.06 -0.51 -0.65 0.00 0.00 175.02 174.15 3kda s LEU 59 N 0.25 2.94 -0.21 4.11 1.43 -0.08 -0.93 118.68 126.19 3kda s LEU 59 Ca 0.05 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3kda s LEU 59 Cb -0.12 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.41 3kda s LEU 59 CO 0.00 0.06 -0.16 -0.69 0.23 0.00 0.00 176.35 175.79 3kda s VAL 60 N 1.03 2.06 1.08 -1.59 1.01 0.32 -3.66 120.40 120.64 3kda s VAL 60 Ca 0.00 -1.18 -0.17 0.00 0.00 0.00 0.00 61.98 60.63 3kda s VAL 60 Cb -0.15 -1.99 0.24 0.00 0.00 0.00 0.00 36.38 34.48 3kda s VAL 60 CO 0.00 0.31 1.21 -1.38 0.00 0.00 0.00 175.10 175.25 3kda s HIS 61 N 1.24 1.10 0.00 5.22 -3.43 -1.26 -1.57 115.29 116.58 3kda s HIS 61 Ca -0.00 0.43 0.00 0.00 -0.80 0.00 0.00 55.06 54.68 3kda s HIS 61 Cb -0.16 -3.77 0.00 0.00 -1.43 0.00 0.00 32.58 27.23 3kda s HIS 61 CO -0.10 -3.23 0.00 0.41 -2.00 0.00 0.00 174.74 169.82 3kda n GLY 62 N -2.34 6.30 3.77 -1.38 0.00 -1.19 -2.78 105.19 107.58 3kda n GLY 62 Ca 0.14 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.03 2.86 0.00 1.61 5.36 -1.26 -2.59 117.98 123.92 3kda s PHE 63 Ca 0.00 1.37 0.00 0.00 -0.96 0.00 0.00 56.93 57.34 3kda s PHE 63 Cb 0.00 -3.73 0.00 0.00 -0.34 0.00 0.00 43.02 38.95 3kda s PHE 63 CO 0.00 -2.17 0.00 0.41 -1.46 0.00 0.00 175.22 172.00 3kda n GLY 64 N 0.68 1.59 0.00 13.12 0.00 -1.26 -4.98 105.19 114.34 3kda n GLY 64 Ca 0.02 0.00 0.00 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 0.55 -1.67 1.61 6.02 -1.07 -4.86 117.38 115.96 3kda n GLN 65 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 3kda n GLN 65 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 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 0.00 0.00 -0.15 5.09 -2.24 -1.26 -4.69 114.28 111.03 3kda n THR 66 Ca 0.00 -0.07 0.28 0.00 -2.27 0.00 0.00 64.05 61.99 3kda n THR 66 Cb 0.00 0.04 0.72 0.00 -2.10 0.00 0.00 70.33 68.99 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 1.04 0.00 -0.00 4.78 5.08 -1.86 -2.37 115.95 122.61 3kda h TRP 67 Ca -0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.96 3kda h TRP 67 Cb 0.05 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.21 3kda h TRP 67 CO 0.00 0.00 0.00 -0.92 -1.28 0.00 0.00 178.44 176.24 3kda h TYR 68 N 0.00 0.00 0.00 0.12 3.20 -1.95 -1.08 116.97 117.27 3kda h TYR 68 Ca 0.41 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.28 3kda h TYR 68 Cb 1.74 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 40.01 3kda h TYR 68 CO 0.00 0.00 -0.01 1.05 -1.64 0.00 0.00 178.16 177.56 3kda h GLU 69 N 0.00 0.00 -0.16 1.82 4.11 -1.84 -1.49 114.58 117.02 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 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3kda h GLU 69 CO -0.00 0.01 0.00 0.91 0.07 0.00 0.00 179.01 180.00 3kda n TRP 70 N -3.43 0.20 0.31 2.06 7.02 -0.41 -4.57 117.44 118.62 3kda n TRP 70 Ca -0.03 -0.10 0.20 0.00 -1.02 0.00 0.00 57.50 56.55 3kda n TRP 70 Cb 0.10 0.00 0.96 0.00 -2.42 0.00 0.00 31.31 29.95 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 2.90 0.00 0.11 -5.99 2.07 -1.42 -0.46 115.15 112.36 3kda h HIS 71 Ca 0.00 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 57.22 3kda h HIS 71 Cb 0.63 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.60 3kda h HIS 71 CO 0.10 0.01 -1.50 1.96 -3.07 0.00 0.00 177.93 175.43 3kda h GLN 72 N 0.00 0.24 -0.05 5.12 4.20 -1.83 -3.35 115.11 119.43 3kda h GLN 72 Ca -0.00 -0.41 -0.20 0.00 0.06 0.00 0.00 58.65 58.11 3kda h GLN 72 Cb 0.24 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 3kda h GLN 72 CO 0.00 1.10 -0.80 1.25 -0.67 0.00 0.00 178.83 179.71 3kda h LEU 73 N 0.06 0.50 -0.41 1.46 5.85 -1.66 -3.38 115.31 117.74 3kda h LEU 73 Ca -0.23 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.20 3kda h LEU 73 Cb 2.01 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.82 3kda h LEU 73 CO 0.16 1.12 0.05 0.24 -0.34 0.00 0.00 178.44 179.67 3kda h MET 74 N 0.26 0.16 -0.39 1.25 2.86 -1.25 -1.87 114.93 115.95 3kda h MET 74 Ca -0.05 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3kda h MET 74 Cb 1.40 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.01 3kda h MET 74 CO 0.14 0.11 0.03 -1.35 1.06 0.00 0.00 176.91 176.89 3kda h PRO 75 N 0.17 0.60 -0.17 -0.22 0.11 -1.75 -0.45 132.00 130.28 3kda h PRO 75 Ca 0.20 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 66.14 3kda h PRO 75 Cb 0.26 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 3kda h PRO 75 CO -0.29 0.61 -0.07 0.93 -0.21 0.00 0.00 178.00 178.96 3kda h GLU 76 N 0.58 0.35 -0.21 1.05 5.08 -1.65 -3.02 114.58 116.75 3kda h GLU 76 Ca 0.12 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3kda h GLU 76 Cb 0.33 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3kda h GLU 76 CO 0.01 0.66 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.53 3kda h LEU 77 N 0.04 0.31 -0.13 1.33 3.38 -1.13 -2.89 115.31 116.22 3kda h LEU 77 Ca 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kda h LEU 77 Cb 0.54 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3kda h LEU 77 CO 0.02 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.98 3kda n ALA 78 N -2.49 1.49 0.19 1.53 0.00 -0.20 -0.92 120.51 120.12 3kda n ALA 78 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.48 3kda n ALA 78 Cb 0.25 -1.20 0.36 0.00 0.00 0.00 0.00 19.45 18.86 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 1.79 -1.55 -3.33 116.57 113.47 3kda h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kda h LYS 79 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3kda h LYS 79 CO 0.00 0.38 -0.57 0.54 -1.08 0.00 0.00 179.45 178.72 3kda n ARG 80 N -3.66 2.53 -4.09 3.15 1.74 -0.39 -4.70 116.66 111.24 3kda n ARG 80 Ca -0.01 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.98 3kda n ARG 80 Cb 0.48 -0.76 -0.10 0.00 -1.02 0.00 0.00 32.46 31.06 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 -1.40 0.60 -0.13 -1.55 0.08 -0.10 0.02 117.98 115.50 3kda s PHE 81 Ca 0.00 -0.87 -0.28 0.00 0.12 0.00 0.00 56.93 55.90 3kda s PHE 81 Cb 0.00 -0.39 -0.01 0.00 -0.57 0.00 0.00 43.02 42.05 3kda s PHE 81 CO 0.00 -0.25 0.95 0.99 -0.10 0.00 0.00 175.22 176.81 3kda s THR 82 N -3.13 4.81 -0.15 0.64 2.01 -0.16 -2.68 115.64 116.98 3kda s THR 82 Ca 0.02 1.90 -0.01 0.00 0.31 0.00 0.00 61.69 63.91 3kda s THR 82 Cb 0.02 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.26 3kda s THR 82 CO -0.06 0.01 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.09 3kda s VAL 83 N 2.09 3.23 -0.09 3.82 1.01 0.65 -0.33 120.40 130.79 3kda s VAL 83 Ca 0.45 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3kda s VAL 83 Cb -0.18 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.83 3kda s VAL 83 CO 0.15 0.50 -0.15 -0.51 0.00 0.00 0.00 175.10 175.10 3kda s ILE 84 N 0.60 1.38 -0.34 2.22 2.07 -0.28 -1.60 121.20 125.24 3kda s ILE 84 Ca -0.06 -0.60 0.03 0.00 -1.41 0.00 0.00 60.65 58.60 3kda s ILE 84 Cb -0.15 -1.26 0.10 0.00 0.13 0.00 0.00 42.46 41.28 3kda s ILE 84 CO 0.03 0.41 0.08 0.00 -1.91 0.00 0.00 174.94 173.55 3kda s ALA 85 N 0.78 2.49 0.45 1.50 0.00 -0.11 -0.90 121.76 125.98 3kda s ALA 85 Ca -0.11 -2.32 -0.11 0.00 0.00 0.00 0.00 51.96 49.42 3kda s ALA 85 Cb -0.16 -1.87 -0.06 0.00 0.00 0.00 0.00 23.12 21.03 3kda s ALA 85 CO 0.02 -1.71 0.83 -1.25 0.00 0.00 0.00 175.76 173.66 3kda s PRO 86 N 1.04 3.78 0.05 0.00 0.04 -1.24 -1.55 135.00 137.11 3kda s PRO 86 Ca 0.11 0.56 -0.26 0.00 0.04 0.00 0.00 61.00 61.45 3kda s PRO 86 Cb -0.19 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 3kda s PRO 86 CO -0.13 -0.14 0.81 -0.51 0.04 0.00 0.00 177.00 177.07 3kda s ASP 87 N -3.31 7.27 0.60 6.66 1.01 -0.06 -4.34 116.67 124.49 3kda s ASP 87 Ca 0.53 1.51 -0.19 0.00 0.71 0.00 0.00 52.55 55.10 3kda s ASP 87 Cb -0.10 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 3kda s ASP 87 CO 0.34 -0.02 1.31 -0.76 0.21 0.00 0.00 175.17 176.25 3kda s LEU 88 N 0.03 3.69 0.07 1.23 1.43 -1.26 -4.56 118.68 119.31 3kda s LEU 88 Ca 0.41 2.65 -0.36 0.00 -1.03 0.00 0.00 54.13 55.79 3kda s LEU 88 Cb -0.21 -4.49 -0.16 0.00 0.03 0.00 0.00 46.19 41.36 3kda s LEU 88 CO 0.24 -1.80 1.41 -2.65 0.23 0.00 0.00 176.35 173.79 3kda n PRO 89 N -1.55 1.31 0.00 1.29 -0.02 -1.26 -0.97 135.00 133.81 3kda n PRO 89 Ca 0.14 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3kda n PRO 89 Cb 0.47 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 2.79 3.12 3.87 -1.23 0.00 -0.49 -4.64 105.19 108.61 3kda n GLY 90 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 3.66 0.00 0.99 1.43 -0.14 -3.88 118.68 120.74 3kda s LEU 91 Ca 0.00 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 3kda s LEU 91 Cb 0.00 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.93 3kda s LEU 91 CO 0.00 -0.34 0.00 0.61 0.23 0.00 0.00 176.35 176.85 3kda n GLY 92 N -1.39 3.26 1.04 -3.19 0.00 -1.26 -1.53 105.19 102.11 3kda n GLY 92 Ca -0.02 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 3.23 -3.34 1.61 6.02 -1.26 -4.97 117.38 132.67 3kda n GLN 93 Ca 0.00 -2.65 -0.38 0.00 -0.01 0.00 0.00 57.00 53.95 3kda n GLN 93 Cb 0.00 -1.72 -0.06 0.00 1.02 0.00 0.00 30.24 29.48 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 -1.37 6.98 0.68 1.08 0.01 -0.58 -4.25 113.70 116.25 3kda s SER 94 Ca 0.40 1.16 -0.16 0.00 1.31 0.00 0.00 55.95 58.66 3kda s SER 94 Cb 0.28 -2.33 0.01 0.00 0.21 0.00 0.00 66.02 64.20 3kda s SER 94 CO 0.15 0.28 1.17 -1.61 0.41 0.00 0.00 173.24 173.64 3kda s GLU 95 N -1.05 2.53 0.78 12.44 2.02 -0.25 -2.13 118.70 133.04 3kda s GLU 95 Ca 0.27 1.63 -0.13 0.00 0.02 0.00 0.00 54.97 56.76 3kda s GLU 95 Cb -0.19 -1.89 0.07 0.00 0.10 0.00 0.00 34.13 32.22 3kda s GLU 95 CO 0.17 -1.50 1.17 -2.14 0.02 0.00 0.00 175.26 172.97 3kda s PRO 96 N -3.87 1.91 0.58 0.39 0.02 -1.26 -1.39 135.00 131.38 3kda s PRO 96 Ca 0.72 1.60 -0.19 0.00 0.02 0.00 0.00 61.00 63.15 3kda s PRO 96 Cb -0.26 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 3kda s PRO 96 CO 0.41 -1.97 1.19 -1.25 -0.33 0.00 0.00 177.00 175.05 3kda s PRO 97 N -4.25 3.05 0.06 5.54 0.04 -1.26 -4.73 135.00 133.44 3kda s PRO 97 Ca 0.70 1.78 0.20 0.00 0.04 0.00 0.00 61.00 63.72 3kda s PRO 97 Cb -0.25 -1.94 -0.16 0.00 0.04 0.00 0.00 34.50 32.18 3kda s PRO 97 CO 0.50 -1.13 0.72 1.63 0.04 0.00 0.00 177.00 178.76 3kda n LYS 98 N -1.54 0.63 -0.03 4.56 5.02 -1.26 -4.58 118.16 120.96 3kda n LYS 98 Ca 0.13 0.05 -0.02 0.00 -2.02 0.00 0.00 58.31 56.45 3kda n LYS 98 Cb 0.50 -1.71 -0.01 0.00 -0.02 0.00 0.00 35.03 33.80 3kda n LYS 98 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3kda h THR 99 N 0.00 0.00 0.00 -0.18 1.35 -1.94 -3.51 112.91 108.62 3kda h THR 99 Ca -0.10 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3kda h THR 99 Cb 1.29 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3kda h THR 99 CO 0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 3kda n GLY 100 N 1.74 -1.24 0.64 5.82 0.00 -1.26 -5.04 105.19 105.85 3kda n GLY 100 Ca -0.03 -0.98 0.07 0.00 0.00 0.00 0.00 46.02 45.08 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 0.15 0.21 -1.12 1.61 4.02 -1.26 -4.26 117.16 116.52 3kda n TYR 101 Ca 0.00 -0.18 -0.32 0.00 -0.01 0.00 0.00 57.90 57.39 3kda n TYR 101 Cb 0.00 -0.01 0.12 0.00 -0.02 0.00 0.00 39.34 39.43 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 -1.09 3.92 0.20 7.72 1.04 -1.26 -4.67 113.70 119.56 3kda s SER 102 Ca 0.21 2.04 -0.11 0.00 0.48 0.00 0.00 55.95 58.57 3kda s SER 102 Cb 0.13 -2.55 0.16 0.00 0.10 0.00 0.00 66.02 63.86 3kda s SER 102 CO 0.18 -2.43 1.86 1.23 0.98 0.00 0.00 173.24 175.06 3kda h GLY 103 N -1.20 1.00 1.13 7.32 0.00 -1.86 -1.14 103.07 108.31 3kda h GLY 103 Ca -0.44 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 46.47 3kda h GLY 103 CO 0.48 0.31 0.11 -2.09 0.00 0.00 0.00 176.54 175.35 3kda h GLU 104 N 0.90 1.07 -0.14 4.80 4.81 -1.91 0.12 114.58 124.22 3kda h GLU 104 Ca 0.27 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3kda h GLU 104 Cb -0.04 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 3kda h GLU 104 CO -0.09 0.97 -0.01 1.96 -0.73 0.00 0.00 179.01 181.12 3kda h GLN 105 N 1.00 0.25 -0.31 1.92 4.20 -1.73 -3.09 115.11 117.36 3kda h GLN 105 Ca 0.20 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.71 3kda h GLN 105 Cb 0.42 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3kda h GLN 105 CO 0.01 0.50 -0.31 0.28 -0.67 0.00 0.00 178.83 178.64 3kda h VAL 106 N -0.03 1.28 -0.50 -0.54 2.07 -1.11 -2.86 116.25 114.57 3kda h VAL 106 Ca 0.04 -1.43 0.08 0.00 0.82 0.00 0.00 66.70 66.21 3kda h VAL 106 Cb 0.39 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3kda h VAL 106 CO 0.01 0.46 0.33 0.00 0.02 0.00 0.00 177.57 178.40 3kda h ALA 107 N 1.11 2.01 -0.59 1.67 0.00 -0.84 -1.15 119.26 121.46 3kda h ALA 107 Ca 0.07 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3kda h ALA 107 Cb 0.80 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3kda h ALA 107 CO 0.07 -0.11 0.35 0.28 0.00 0.00 0.00 179.25 179.84 3kda h VAL 108 N 0.35 1.05 -0.60 0.00 2.07 -1.42 0.72 116.25 118.42 3kda h VAL 108 Ca 0.22 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3kda h VAL 108 Cb 0.43 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3kda h VAL 108 CO -0.05 0.13 0.28 1.88 0.02 0.00 0.00 177.57 179.82 3kda h TYR 109 N 0.69 0.87 -0.14 1.57 0.05 -1.31 -1.12 116.97 117.57 3kda h TYR 109 Ca 0.24 -0.05 -0.20 0.00 0.05 0.00 0.00 58.73 58.77 3kda h TYR 109 Cb 0.04 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.52 3kda h TYR 109 CO -0.06 0.67 -0.72 -0.07 -1.05 0.00 0.00 178.16 176.94 3kda h LEU 110 N 0.82 0.74 -0.15 3.88 3.38 -1.24 -1.07 115.31 121.67 3kda h LEU 110 Ca 0.21 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3kda h LEU 110 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3kda h LEU 110 CO -0.02 1.24 0.04 -0.74 0.09 0.00 0.00 178.44 179.04 3kda h HIS 111 N 0.44 0.25 -0.76 1.13 2.76 -0.76 -1.99 115.15 116.23 3kda h HIS 111 Ca -0.03 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.09 3kda h HIS 111 Cb 1.31 -0.07 -0.04 0.00 1.55 0.00 0.00 27.41 30.17 3kda h HIS 111 CO 0.07 0.37 0.38 0.87 -1.30 0.00 0.00 177.93 178.32 3kda h LYS 112 N 0.06 1.08 -0.00 5.26 1.57 -1.17 -1.13 116.57 122.23 3kda h LYS 112 Ca 0.05 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3kda h LYS 112 Cb 0.24 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3kda h LYS 112 CO -0.00 0.83 -0.16 1.25 -0.57 0.00 0.00 179.45 180.80 3kda h LEU 113 N 1.06 -0.47 -0.70 2.94 5.85 -1.09 -1.66 115.31 121.24 3kda h LEU 113 Ca 0.26 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.08 3kda h LEU 113 Cb 0.09 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3kda h LEU 113 CO -0.04 -0.22 0.44 0.00 -0.34 0.00 0.00 178.44 178.28 3kda h ALA 114 N 0.67 0.91 0.00 1.25 0.00 -1.06 -2.49 119.26 118.54 3kda h ALA 114 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kda h ALA 114 Cb 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kda h ALA 114 CO -0.16 0.21 0.00 0.54 0.00 0.00 0.00 179.25 179.84 3kda n ARG 115 N -4.67 0.07 0.15 0.00 5.12 -0.45 -0.79 116.66 116.09 3kda n ARG 115 Ca 0.07 0.20 0.01 0.00 -1.93 0.00 0.00 57.85 56.20 3kda n ARG 115 Cb 0.08 -1.61 0.21 0.00 -1.16 0.00 0.00 32.46 29.98 3kda n ARG 115 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 3kda h GLN 116 N 0.00 0.00 0.00 5.56 1.08 -0.83 -2.34 115.11 118.58 3kda h GLN 116 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3kda h GLN 116 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 3kda h GLN 116 CO 0.00 0.55 -1.71 1.19 -0.95 0.00 0.00 178.83 177.91 3kda n PHE 117 N -3.66 0.00 -3.18 2.96 3.72 -0.61 -4.58 117.46 112.11 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 0.60 -0.36 -0.05 0.00 -0.94 0.00 0.00 39.48 38.73 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 -2.04 1.60 0.24 4.37 2.88 0.03 -4.95 113.62 115.75 3kda n SER 118 Ca -0.02 -3.08 0.13 0.00 -1.33 0.00 0.00 58.87 54.57 3kda n SER 118 Cb 0.46 -0.62 0.43 0.00 -0.75 0.00 0.00 64.21 63.73 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 3.44 0.00 -0.04 -1.46 0.13 -1.67 -3.31 132.00 129.10 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 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3kda h PRO 119 CO 0.58 0.08 0.00 -0.25 -0.23 0.00 0.00 178.00 178.18 3kda n ASP 120 N -3.16 1.67 -3.93 1.44 8.00 -1.26 -5.02 116.55 114.29 3kda n ASP 120 Ca 0.02 -1.53 -0.09 0.00 0.71 0.00 0.00 54.79 53.89 3kda n ASP 120 Cb 0.43 -0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.58 0.58 0.71 -1.24 0.52 -1.25 -5.15 118.95 112.55 3kda s ARG 121 Ca 0.04 -0.75 -0.14 0.00 -0.52 0.00 0.00 55.73 54.36 3kda s ARG 121 Cb 0.02 0.23 0.03 0.00 0.52 0.00 0.00 34.95 35.75 3kda s ARG 121 CO 0.03 -0.14 1.12 -2.14 0.02 0.00 0.00 175.30 174.18 3kda s PRO 122 N -2.58 2.50 0.26 3.54 0.02 -1.26 -4.85 135.00 132.64 3kda s PRO 122 Ca -0.05 1.38 0.07 0.00 0.02 0.00 0.00 61.00 62.42 3kda s PRO 122 Cb -0.01 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 3kda s PRO 122 CO -0.04 -1.48 -0.09 -0.59 -0.33 0.00 0.00 177.00 174.46 3kda s PHE 123 N -2.46 1.93 0.23 6.54 -0.12 0.65 -4.67 117.98 120.07 3kda s PHE 123 Ca 0.66 -0.63 -0.05 0.00 -0.05 0.00 0.00 56.93 56.86 3kda s PHE 123 Cb -0.21 -1.03 -0.05 0.00 -0.63 0.00 0.00 43.02 41.10 3kda s PHE 123 CO 0.46 0.34 0.48 -0.51 -0.05 0.00 0.00 175.22 175.95 3kda s ASP 124 N -3.42 6.47 -0.04 1.98 1.01 0.23 -0.91 116.67 121.98 3kda s ASP 124 Ca 0.28 0.64 0.02 0.00 0.71 0.00 0.00 52.55 54.20 3kda s ASP 124 Cb 0.02 -2.11 0.01 0.00 1.01 0.00 0.00 42.92 41.85 3kda s ASP 124 CO 0.11 -0.09 -0.08 -0.22 0.21 0.00 0.00 175.17 175.09 3kda s LEU 125 N -3.21 1.62 -0.09 1.23 2.96 -0.72 -0.98 118.68 119.50 3kda s LEU 125 Ca 0.43 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 3kda s LEU 125 Cb -0.11 -0.59 0.01 0.00 0.50 0.00 0.00 46.19 46.00 3kda s LEU 125 CO 0.27 0.02 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.47 3kda s VAL 126 N 0.51 1.50 0.01 1.68 1.01 -0.11 -0.55 120.40 124.46 3kda s VAL 126 Ca -0.09 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3kda s VAL 126 Cb -0.12 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 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 0.66 0.15 -0.05 5.51 0.00 -0.14 -0.52 121.76 127.37 3kda s ALA 127 Ca -0.14 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.51 3kda s ALA 127 Cb -0.16 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3kda s ALA 127 CO 0.04 -0.06 -0.14 -1.58 0.00 0.00 0.00 175.76 174.02 3kda s HIS 128 N -0.75 1.49 0.00 0.00 2.46 -0.61 -1.06 115.29 116.82 3kda s HIS 128 Ca -0.07 -0.46 0.00 0.00 0.47 0.00 0.00 55.06 54.99 3kda s HIS 128 Cb -0.05 -1.04 0.00 0.00 -0.13 0.00 0.00 32.58 31.36 3kda s HIS 128 CO -0.00 -0.19 0.00 -3.47 -2.47 0.00 0.00 174.74 168.60 3kda n ASP 129 N 3.40 0.00 0.02 9.88 -0.08 -0.74 -1.06 116.55 127.97 3kda n ASP 129 Ca -0.20 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.14 3kda n ASP 129 Cb 0.53 0.00 0.26 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 1.25 -0.12 5.18 -5.35 -1.26 -0.66 119.36 118.39 3kda n ILE 130 Ca 0.00 0.34 0.17 0.00 -0.27 0.00 0.00 62.75 62.98 3kda n ILE 130 Cb 0.00 -1.18 0.55 0.00 -1.74 0.00 0.00 39.64 37.27 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 1.69 0.51 0.78 3.28 0.00 -0.91 -1.16 103.07 107.27 3kda h GLY 131 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3kda h GLY 131 CO 0.00 0.05 -0.02 -2.22 0.00 0.00 0.00 176.54 174.34 3kda h ILE 132 N 0.31 1.27 -0.88 2.60 2.04 -1.03 -2.65 117.51 119.17 3kda h ILE 132 Ca 0.34 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 65.34 3kda h ILE 132 Cb 0.90 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 38.49 3kda h ILE 132 CO -0.09 0.28 0.57 -0.50 0.00 0.00 0.00 178.15 178.41 3kda h TRP 133 N 0.02 0.99 -0.12 1.37 4.06 -1.44 -0.98 115.95 119.85 3kda h TRP 133 Ca 0.04 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.02 3kda h TRP 133 Cb 0.43 -0.33 0.00 0.00 -1.00 0.00 0.00 29.16 28.27 3kda h TRP 133 CO 0.04 0.51 0.00 0.09 -3.56 0.00 0.00 178.44 175.52 3kda n ASN 134 N -4.50 1.60 0.00 -3.49 3.02 -0.52 -4.16 115.26 107.21 3kda n ASN 134 Ca 0.14 -1.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.05 3kda n ASN 134 Cb 0.23 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 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 0.27 0.00 -0.22 3.41 -2.24 -0.91 -2.93 114.28 111.65 3kda n THR 135 Ca 0.17 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.96 3kda n THR 135 Cb 0.34 -0.74 0.09 0.00 -2.10 0.00 0.00 70.33 67.91 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 -0.24 -0.77 4.78 3.20 -1.36 -1.08 116.97 121.51 3kda h TYR 136 Ca 0.00 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.95 3kda h TYR 136 Cb 0.77 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 3kda h TYR 136 CO 0.00 -0.25 0.51 -1.35 -1.64 0.00 0.00 178.16 175.42 3kda h PRO 137 N 0.04 0.94 0.00 1.82 0.11 -1.85 -1.18 132.00 131.88 3kda h PRO 137 Ca 0.33 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.29 3kda h PRO 137 Cb 0.52 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 3kda h PRO 137 CO -0.64 0.62 -0.45 0.00 -0.21 0.00 0.00 178.00 177.33 3kda h MET 138 N 0.97 0.00 -0.14 1.05 -0.00 -1.53 -1.74 114.93 113.54 3kda h MET 138 Ca 0.30 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.96 3kda h MET 138 Cb -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.59 3kda h MET 138 CO -0.08 0.45 -0.05 0.28 -0.00 0.00 0.00 176.91 177.50 3kda h VAL 139 N 0.00 1.30 -0.02 -0.10 2.07 -0.52 -1.66 116.25 117.33 3kda h VAL 139 Ca -0.00 -1.05 -0.13 0.00 0.82 0.00 0.00 66.70 66.33 3kda h VAL 139 Cb 1.11 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 3kda h VAL 139 CO 0.06 0.31 -0.60 1.62 0.02 0.00 0.00 177.57 178.97 3kda h VAL 140 N -0.04 1.42 0.00 2.57 3.04 -1.21 -2.60 116.25 119.43 3kda h VAL 140 Ca 0.03 -2.04 0.00 0.00 -1.01 0.00 0.00 66.70 63.68 3kda h VAL 140 Cb 0.50 2.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 3kda h VAL 140 CO 0.02 0.59 -0.18 0.11 -1.01 0.00 0.00 177.57 177.10 3kda h LYS 141 N 0.04 0.00 -1.55 4.17 1.57 -1.33 -3.37 116.57 116.11 3kda h LYS 141 Ca -0.01 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.33 3kda h LYS 141 Cb 1.07 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.98 3kda h LYS 141 CO 0.08 0.00 -1.13 0.09 -0.57 0.00 0.00 179.45 177.92 3kda n ASN 142 N -2.35 1.58 -0.08 0.86 3.02 -0.62 -4.96 115.26 112.70 3kda n ASN 142 Ca 0.05 -2.97 0.08 0.00 -0.03 0.00 0.00 54.58 51.71 3kda n ASN 142 Cb 0.45 -0.57 0.44 0.00 -0.61 0.00 0.00 39.78 39.50 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 2.97 0.52 0.00 3.52 4.20 -1.64 -0.50 115.11 124.19 3kda h GLN 143 Ca 0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3kda h GLN 143 Cb 1.03 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 3kda h GLN 143 CO 0.54 0.34 -0.03 0.00 -0.67 0.00 0.00 178.83 179.01 3kda h ALA 144 N 1.69 1.07 0.00 3.87 0.00 -1.93 -2.32 119.26 121.64 3kda h ALA 144 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kda h ALA 144 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kda h ALA 144 CO -0.07 0.04 -0.27 -0.25 0.00 0.00 0.00 179.25 178.70 3kda n ASP 145 N -3.23 0.51 -4.22 0.00 8.00 -0.20 -4.54 116.55 112.87 3kda n ASP 145 Ca -0.01 0.26 -0.37 0.00 0.71 0.00 0.00 54.79 55.38 3kda n ASP 145 Cb 0.21 -0.24 -0.12 0.00 -0.02 0.00 0.00 41.12 40.95 3kda n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kda s ILE 146 N -3.07 3.62 -0.04 0.53 -1.09 -0.87 -0.25 121.20 120.02 3kda s ILE 146 Ca 0.10 -1.41 -0.25 0.00 -2.23 0.00 0.00 60.65 56.86 3kda s ILE 146 Cb 0.15 -3.17 -0.21 0.00 -1.58 0.00 0.00 42.46 37.65 3kda s ILE 146 CO 0.63 -0.33 1.14 0.00 -1.23 0.00 0.00 174.94 175.15 3kda h ALA 147 N 8.18 0.04 -2.59 9.38 0.00 -1.30 -3.46 119.26 129.51 3kda h ALA 147 Ca -0.21 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 3kda h ALA 147 Cb 1.07 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.68 3kda h ALA 147 CO 0.64 -0.08 -0.49 1.03 0.00 0.00 0.00 179.25 180.35 3kda s ARG 148 N -3.64 0.62 -0.02 0.00 0.52 -1.26 -4.14 118.95 111.02 3kda s ARG 148 Ca -0.16 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.33 3kda s ARG 148 Cb 0.01 0.25 0.02 0.00 0.52 0.00 0.00 34.95 35.75 3kda s ARG 148 CO 0.71 -0.16 0.00 -1.17 0.02 0.00 0.00 175.30 174.70 3kda s LEU 149 N -2.12 1.33 -0.13 2.53 2.96 -0.72 -1.75 118.68 120.78 3kda s LEU 149 Ca -0.05 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 3kda s LEU 149 Cb -0.01 -0.15 0.02 0.00 0.50 0.00 0.00 46.19 46.55 3kda s LEU 149 CO -0.04 -0.08 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.08 3kda s VAL 150 N 0.80 1.45 -0.07 1.68 1.01 0.28 -1.06 120.40 124.49 3kda s VAL 150 Ca -0.07 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.38 3kda s VAL 150 Cb -0.11 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 3kda s VAL 150 CO -0.02 0.44 -0.22 -0.31 0.00 0.00 0.00 175.10 174.99 3kda s TYR 151 N 1.36 2.54 -0.01 5.22 2.02 -0.51 -0.97 117.35 126.99 3kda s TYR 151 Ca 0.01 -0.69 0.01 0.00 -0.37 0.00 0.00 57.07 56.03 3kda s TYR 151 Cb -0.13 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 39.78 3kda s TYR 151 CO -0.07 -0.20 -0.03 0.00 -1.57 0.00 0.00 175.55 173.68 3kda s MET 152 N -0.09 0.34 -1.09 -0.62 0.23 -0.22 -1.56 119.30 116.28 3kda s MET 152 Ca -0.05 -0.08 -0.05 0.00 -1.03 0.00 0.00 55.69 54.48 3kda s MET 152 Cb -0.14 -0.38 -0.05 0.00 -1.53 0.00 0.00 34.83 32.73 3kda s MET 152 CO 0.04 0.01 0.93 0.39 -2.03 0.00 0.00 175.02 174.37 3kda n GLU 153 N 3.36 -3.28 0.00 3.16 -0.58 -0.89 -1.79 120.64 120.62 3kda n GLU 153 Ca -0.17 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.41 3kda n GLU 153 Cb 0.56 -5.76 0.00 0.00 -0.57 0.00 0.00 31.44 25.67 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 -3.50 0.00 -1.77 0.62 0.00 -1.26 -2.94 120.51 111.66 3kda n ALA 154 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.93 3kda n ALA 154 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.94 4.21 0.27 0.00 0.04 -1.26 -4.92 135.00 131.40 3kda s PRO 155 Ca 0.00 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 3kda s PRO 155 Cb 0.00 -2.74 -0.10 0.00 0.04 0.00 0.00 34.50 31.70 3kda s PRO 155 CO 0.00 -0.15 1.40 0.42 0.04 0.00 0.00 177.00 178.70 3kda s ILE 156 N -1.43 2.69 -0.20 0.56 1.01 -1.26 -4.75 121.20 117.81 3kda s ILE 156 Ca 0.55 0.61 -0.29 0.00 0.00 0.00 0.00 60.65 61.52 3kda s ILE 156 Cb -0.28 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 3kda s ILE 156 CO 0.36 0.11 1.93 -2.84 0.00 0.00 0.00 174.94 174.50 3kda s PRO 157 N -0.80 3.50 0.27 2.79 0.02 -1.26 -4.86 135.00 134.67 3kda s PRO 157 Ca 0.56 1.89 -0.09 0.00 0.02 0.00 0.00 61.00 63.39 3kda s PRO 157 Cb -0.41 -4.22 0.04 0.00 0.02 0.00 0.00 34.50 29.93 3kda s PRO 157 CO 0.46 -1.67 0.52 -0.40 -0.33 0.00 0.00 177.00 175.58 3kda n ASP 158 N 9.91 -1.50 0.25 2.53 5.68 -1.26 -4.39 116.55 127.78 3kda n ASP 158 Ca 0.24 -2.15 0.17 0.00 -0.50 0.00 0.00 54.79 52.55 3kda n ASP 158 Cb 0.45 2.53 0.89 0.00 -1.14 0.00 0.00 41.12 43.85 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 1.98 1.00 -0.07 2.12 0.00 -1.91 -1.46 119.26 120.92 3kda h ALA 159 Ca -0.23 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3kda h ALA 159 Cb 0.86 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3kda h ALA 159 CO 0.29 0.00 0.05 0.00 0.00 0.00 0.00 179.25 179.59 3kda h ARG 160 N 0.00 0.00 0.00 0.00 3.08 -1.96 -2.08 114.38 113.42 3kda h ARG 160 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3kda h ARG 160 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3kda h ARG 160 CO 0.00 0.00 -0.03 -0.84 -1.07 0.00 0.00 179.97 178.03 3kda h ILE 161 N 0.00 0.13 -0.00 2.04 3.07 -1.59 -1.67 117.51 119.49 3kda h ILE 161 Ca 0.03 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.15 3kda h ILE 161 Cb 0.14 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 37.94 3kda h ILE 161 CO -0.00 0.03 -0.02 -1.22 -1.05 0.00 0.00 178.15 175.89 3kda n TYR 162 N -3.22 0.00 1.00 0.16 4.01 -0.78 -3.35 117.16 114.98 3kda n TYR 162 Ca -0.02 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.83 3kda n TYR 162 Cb 0.19 -0.11 -0.05 0.00 -0.31 0.00 0.00 39.34 39.05 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 -0.99 0.14 -2.27 -0.72 1.74 -0.63 -4.94 116.66 108.99 3kda n ARG 163 Ca 0.19 -0.11 -0.39 0.00 -0.77 0.00 0.00 57.85 56.77 3kda n ARG 163 Cb 0.19 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 3kda n ARG 163 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3kda s PHE 164 N -2.94 3.13 0.40 -1.55 0.08 -1.21 -4.99 117.98 110.89 3kda s PHE 164 Ca 0.10 1.54 -0.19 0.00 0.12 0.00 0.00 56.93 58.49 3kda s PHE 164 Cb 0.16 -3.46 -0.10 0.00 -0.57 0.00 0.00 43.02 39.05 3kda s PHE 164 CO 0.81 -1.37 0.89 -1.25 -0.10 0.00 0.00 175.22 174.21 3kda s PRO 165 N -2.05 4.17 0.43 0.24 0.04 -1.26 -4.97 135.00 131.60 3kda s PRO 165 Ca 0.53 1.00 0.23 0.00 0.04 0.00 0.00 61.00 62.80 3kda s PRO 165 Cb -0.33 -2.25 0.88 0.00 0.04 0.00 0.00 34.50 32.83 3kda s PRO 165 CO 0.43 0.02 1.81 0.00 0.04 0.00 0.00 177.00 179.30 3kda h ALA 166 N 2.01 1.02 -2.04 8.56 0.00 -1.97 -3.43 119.26 123.42 3kda h ALA 166 Ca -0.49 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 3kda h ALA 166 Cb 1.18 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.73 3kda h ALA 166 CO 0.62 0.31 0.13 0.12 0.00 0.00 0.00 179.25 180.44 3kda s PHE 167 N -3.65 -0.71 0.24 0.00 5.36 -1.26 -4.30 117.98 113.65 3kda s PHE 167 Ca 0.00 1.55 0.07 0.00 -0.96 0.00 0.00 56.93 57.59 3kda s PHE 167 Cb 0.10 0.32 -0.05 0.00 -0.34 0.00 0.00 43.02 43.05 3kda s PHE 167 CO 0.64 -0.47 -0.10 0.95 -1.46 0.00 0.00 175.22 174.79 3kda s THR 168 N -0.28 1.65 -0.85 0.12 -4.23 -0.43 -4.92 115.64 106.70 3kda s THR 168 Ca -0.05 -2.16 0.06 0.00 -1.18 0.00 0.00 61.69 58.35 3kda s THR 168 Cb -0.03 -2.23 0.05 0.00 1.34 0.00 0.00 72.50 71.64 3kda s THR 168 CO 0.05 -0.46 1.17 0.00 -0.54 0.00 0.00 174.62 174.84 3kda n ALA 169 N -0.46 1.08 -1.97 3.99 0.00 -1.26 -0.54 120.51 121.34 3kda n ALA 169 Ca -0.07 0.03 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 3kda n ALA 169 Cb 0.62 -1.08 0.03 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.65 3.31 0.00 0.00 3.00 -1.26 -5.09 117.38 115.69 3kda n GLN 170 Ca 0.00 -4.00 0.00 0.00 -0.01 0.00 0.00 57.00 52.99 3kda n GLN 170 Cb 0.03 -2.27 0.00 0.00 0.00 0.00 0.00 30.24 27.99 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 -0.69 0.53 3.73 1.08 0.00 0.29 -4.89 105.19 105.25 3kda n GLY 171 Ca 0.48 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 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 6.20 2.33 -2.45 1.61 0.28 -1.26 -1.31 120.64 126.03 3kda n GLU 172 Ca 0.00 0.82 -0.24 0.00 -0.16 0.00 0.00 57.16 57.58 3kda n GLU 172 Cb 0.00 -2.49 0.08 0.00 1.43 0.00 0.00 31.44 30.46 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 -0.28 4.62 0.21 -1.84 1.04 -1.26 -4.76 113.70 111.43 3kda s SER 173 Ca 0.56 -0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.91 3kda s SER 173 Cb -0.51 -0.55 0.15 0.00 0.10 0.00 0.00 66.02 65.20 3kda s SER 173 CO 0.62 -1.67 1.69 -0.07 0.98 0.00 0.00 173.24 174.80 3kda h LEU 174 N -0.47 1.00 -2.83 2.42 3.38 -1.94 -3.36 115.31 113.52 3kda h LEU 174 Ca -0.41 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.27 3kda h LEU 174 Cb 1.28 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.67 3kda h LEU 174 CO 0.48 1.02 -0.51 1.33 0.09 0.00 0.00 178.44 180.85 3kda n VAL 175 N -4.20 1.21 0.21 1.22 0.24 -1.26 -4.69 118.33 111.06 3kda n VAL 175 Ca 0.04 -1.90 0.15 0.00 -2.04 0.00 0.00 64.34 60.60 3kda n VAL 175 Cb 0.31 0.19 0.80 0.00 -1.47 0.00 0.00 33.84 33.67 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 0.58 0.00 0.00 6.34 5.08 -1.82 -0.64 115.95 125.49 3kda h TRP 176 Ca -0.06 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.91 3kda h TRP 176 Cb 1.29 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.45 3kda h TRP 176 CO 0.32 0.00 0.00 1.12 -1.28 0.00 0.00 178.44 178.60 3kda h HIS 177 N 0.00 0.00 -0.56 0.12 2.07 -1.89 -2.17 115.15 112.72 3kda h HIS 177 Ca 0.07 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.65 3kda h HIS 177 Cb 0.36 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.29 3kda h HIS 177 CO 0.00 0.00 0.28 0.74 -3.07 0.00 0.00 177.93 175.88 3kda h PHE 178 N 0.00 0.51 -0.24 6.12 -1.00 -1.48 0.21 116.94 121.06 3kda h PHE 178 Ca 0.00 0.02 -0.10 0.00 2.81 0.00 0.00 57.97 60.70 3kda h PHE 178 Cb 0.21 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.62 3kda h PHE 178 CO 0.00 0.23 -0.24 0.77 -1.61 0.00 0.00 178.31 177.47 3kda h SER 179 N 0.53 0.62 0.01 2.17 0.02 -1.57 -1.53 113.55 113.80 3kda h SER 179 Ca 0.25 -0.48 0.02 0.00 -0.84 0.00 0.00 61.79 60.75 3kda h SER 179 Cb 0.18 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3kda h SER 179 CO -0.18 0.97 -0.13 0.15 -1.14 0.00 0.00 176.83 176.49 3kda h PHE 180 N 0.28 -0.34 0.00 3.45 3.57 -1.37 -1.48 116.94 121.06 3kda h PHE 180 Ca 0.04 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 3kda h PHE 180 Cb 0.80 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 3kda h PHE 180 CO 0.08 -0.20 -0.50 0.74 -2.23 0.00 0.00 178.31 176.20 3kda h PHE 181 N -0.23 0.00 0.00 0.41 0.04 -0.63 -2.97 116.94 113.55 3kda h PHE 181 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3kda h PHE 181 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 3kda h PHE 181 CO -0.18 0.50 -0.24 0.00 -0.60 0.00 0.00 178.31 177.78 3kda n ALA 182 N -2.43 2.69 -1.72 2.45 0.00 -0.58 -4.46 120.51 116.46 3kda n ALA 182 Ca -0.01 -0.16 -0.38 0.00 0.00 0.00 0.00 53.44 52.88 3kda n ALA 182 Cb 0.52 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.69 3kda n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kda n ALA 183 N -1.65 1.28 -0.68 0.00 0.00 -0.58 -4.72 120.51 114.16 3kda n ALA 183 Ca 0.05 0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 3kda n ALA 183 Cb 0.39 -2.32 0.26 0.00 0.00 0.00 0.00 19.45 17.78 3kda n ALA 183 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kda s ASP 184 N -1.11 0.19 -1.57 0.00 -0.00 -1.26 -4.17 116.67 108.75 3kda s ASP 184 Ca 0.76 0.94 0.00 0.00 -0.00 0.00 0.00 52.55 54.25 3kda s ASP 184 Cb -0.41 -1.38 0.00 0.00 -0.00 0.00 0.00 42.92 41.13 3kda s ASP 184 CO 0.46 -4.61 0.00 0.47 -0.00 0.00 0.00 175.17 171.49 3kda n ASP 185 N -5.13 -4.78 -4.04 0.27 8.00 -1.26 -2.26 116.55 107.35 3kda n ASP 185 Ca 0.10 0.34 -0.30 0.00 0.71 0.00 0.00 54.79 55.64 3kda n ASP 185 Cb 0.59 -3.62 -0.01 0.00 -0.02 0.00 0.00 41.12 38.05 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 -2.56 -3.66 0.13 -1.24 1.74 -1.26 -4.87 116.66 104.95 3kda n ARG 186 Ca -0.15 0.43 -0.13 0.00 -0.77 0.00 0.00 57.85 57.23 3kda n ARG 186 Cb 0.50 -4.93 -0.06 0.00 -1.02 0.00 0.00 32.46 26.96 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 -1.75 -0.73 -0.23 0.55 5.85 -1.61 -0.58 115.31 116.81 3kda h LEU 187 Ca -0.61 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 3kda h LEU 187 Cb 1.38 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 3kda h LEU 187 CO 0.69 -0.36 0.06 0.00 -0.34 0.00 0.00 178.44 178.49 3kda h ALA 188 N 0.20 0.30 -0.69 1.25 0.00 -1.86 -1.57 119.26 116.89 3kda h ALA 188 Ca 0.02 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3kda h ALA 188 Cb 0.50 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3kda h ALA 188 CO -0.12 -0.06 0.45 1.49 0.00 0.00 0.00 179.25 181.01 3kda h GLU 189 N 0.19 0.87 -0.65 0.00 4.81 -1.91 0.36 114.58 118.25 3kda h GLU 189 Ca 0.07 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 3kda h GLU 189 Cb 0.26 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3kda h GLU 189 CO -0.00 0.58 0.07 1.15 -0.73 0.00 0.00 179.01 180.07 3kda h THR 190 N 0.90 1.27 -0.04 0.32 2.02 -0.86 -0.50 112.91 116.01 3kda h THR 190 Ca 0.26 -1.09 -0.22 0.00 0.77 0.00 0.00 66.41 66.14 3kda h THR 190 Cb -0.06 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3kda h THR 190 CO -0.07 0.40 -0.87 -0.07 0.37 0.00 0.00 175.52 175.28 3kda h LEU 191 N 1.02 0.58 0.00 2.58 3.38 -1.01 -3.34 115.31 118.53 3kda h LEU 191 Ca 0.19 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 3kda h LEU 191 Cb 0.49 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3kda h LEU 191 CO 0.02 1.22 -1.07 0.40 0.09 0.00 0.00 178.44 179.09 3kda h ILE 192 N 0.29 0.35 -2.13 1.22 2.04 -0.80 -3.44 117.51 115.03 3kda h ILE 192 Ca -0.07 -1.63 -0.61 0.00 1.00 0.00 0.00 64.86 63.56 3kda h ILE 192 Cb 1.49 1.90 0.05 0.00 -0.74 0.00 0.00 36.82 39.52 3kda h ILE 192 CO 0.15 0.20 0.81 0.00 0.00 0.00 0.00 178.15 179.32 3kda n ALA 193 N -2.28 0.94 -0.08 1.87 0.00 -0.21 -0.15 120.51 120.59 3kda n ALA 193 Ca -0.04 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3kda n ALA 193 Cb 0.71 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 3.51 1.76 0.74 0.00 0.00 -1.26 -4.82 105.19 105.12 3kda n GLY 194 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 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 0.68 -0.28 1.61 5.02 0.79 -4.89 118.16 119.08 3kda n LYS 195 Ca 0.00 -2.23 -0.06 0.00 -2.02 0.00 0.00 58.31 54.00 3kda n LYS 195 Cb 0.00 -0.85 0.06 0.00 -0.02 0.00 0.00 35.03 34.22 3kda n LYS 195 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3kda h GLU 196 N 0.56 1.15 -0.37 1.97 3.07 -1.80 0.13 114.58 119.29 3kda h GLU 196 Ca -0.07 -0.19 -0.12 0.00 -0.50 0.00 0.00 59.36 58.48 3kda h GLU 196 Cb 1.36 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 3kda h GLU 196 CO 0.03 0.92 -0.22 -0.09 -1.40 0.00 0.00 179.01 178.25 3kda h ARG 197 N 1.11 0.80 -0.21 2.33 9.65 -1.90 -0.47 114.38 125.70 3kda h ARG 197 Ca 0.26 -0.37 -0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3kda h ARG 197 Cb 0.18 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 3kda h ARG 197 CO -0.03 1.00 0.12 0.35 2.80 0.00 0.00 179.97 184.21 3kda h PHE 198 N 0.60 0.28 -0.45 2.20 3.57 -1.89 -2.63 116.94 118.61 3kda h PHE 198 Ca 0.08 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 3kda h PHE 198 Cb 0.78 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 3kda h PHE 198 CO 0.06 0.24 0.20 0.35 -2.23 0.00 0.00 178.31 176.93 3kda h PHE 199 N 0.23 0.67 -0.47 0.41 3.57 -0.77 -2.37 116.94 118.22 3kda h PHE 199 Ca 0.07 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 3kda h PHE 199 Cb 0.05 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3kda h PHE 199 CO -0.04 0.56 -0.06 1.25 -2.23 0.00 0.00 178.31 177.79 3kda h LEU 200 N 0.59 0.80 -0.44 0.59 5.85 -1.08 0.12 115.31 121.73 3kda h LEU 200 Ca 0.15 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3kda h LEU 200 Cb 0.16 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3kda h LEU 200 CO -0.02 0.90 0.21 -0.08 -0.34 0.00 0.00 178.44 179.12 3kda h GLU 201 N 0.75 0.64 -0.34 1.25 4.81 -1.33 0.32 114.58 120.68 3kda h GLU 201 Ca 0.13 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3kda h GLU 201 Cb 0.54 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3kda h GLU 201 CO 0.03 0.55 0.07 1.25 -0.73 0.00 0.00 179.01 180.17 3kda h HIS 202 N 0.57 0.59 -0.07 0.92 2.76 -0.94 -0.84 115.15 118.14 3kda h HIS 202 Ca 0.15 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3kda h HIS 202 Cb 0.12 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 3kda h HIS 202 CO -0.01 0.61 0.05 0.35 -1.30 0.00 0.00 177.93 177.62 3kda h PHE 203 N 0.40 0.10 0.05 5.26 3.04 -0.58 0.13 116.94 125.33 3kda h PHE 203 Ca 0.10 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 3kda h PHE 203 Cb 0.33 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.81 3kda h PHE 203 CO 0.02 0.09 -0.02 0.82 -2.02 0.00 0.00 178.31 177.20 3kda h ILE 204 N 0.08 1.10 -0.45 1.41 2.04 -0.90 -2.88 117.51 117.91 3kda h ILE 204 Ca 0.03 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 3kda h ILE 204 Cb 0.02 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3kda h ILE 204 CO -0.01 0.12 0.03 0.11 0.00 0.00 0.00 178.15 178.41 3kda h LYS 205 N -0.28 0.72 0.00 2.37 1.57 -1.09 -1.63 116.57 118.23 3kda h LYS 205 Ca -0.01 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3kda h LYS 205 Cb 0.25 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3kda h LYS 205 CO 0.01 0.71 0.00 0.66 -0.57 0.00 0.00 179.45 180.27 3kda h SER 206 N 0.69 0.00 -0.47 0.86 4.64 -0.92 -1.85 113.55 116.50 3kda h SER 206 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3kda h SER 206 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3kda h SER 206 CO 0.01 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.38 3kda n HIS 207 N -2.91 0.78 -4.15 4.77 8.25 -0.66 -4.56 115.22 116.73 3kda n HIS 207 Ca -0.01 -0.56 -0.30 0.00 -0.26 0.00 0.00 57.72 56.60 3kda n HIS 207 Cb 0.20 -0.08 -0.08 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.33 3.21 -0.24 -1.41 0.00 -0.70 -0.72 121.76 120.59 3kda s ALA 208 Ca 0.35 -1.16 -0.16 0.00 0.00 0.00 0.00 51.96 50.99 3kda s ALA 208 Cb 0.20 -1.11 -0.12 0.00 0.00 0.00 0.00 23.12 22.09 3kda s ALA 208 CO 0.20 0.67 -0.23 0.45 0.00 0.00 0.00 175.76 176.85 3kda n SER 209 N 0.54 1.93 -4.26 0.00 2.88 -1.05 -4.63 113.62 109.02 3kda n SER 209 Ca -0.11 0.38 -0.43 0.00 -1.33 0.00 0.00 58.87 57.37 3kda n SER 209 Cb 0.52 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 3kda n SER 209 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3kda n ASN 210 N -4.35 5.13 0.25 -3.46 5.15 -1.25 -4.81 115.26 111.91 3kda n ASN 210 Ca -0.40 -3.01 0.12 0.00 -0.60 0.00 0.00 54.58 50.69 3kda n ASN 210 Cb 0.74 -1.56 0.61 0.00 -0.53 0.00 0.00 39.78 39.04 3kda n ASN 210 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 3kda h THR 211 N 4.40 0.46 0.00 -0.44 1.35 -1.92 -3.25 112.91 113.51 3kda h THR 211 Ca 0.36 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3kda h THR 211 Cb 0.79 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 3kda h THR 211 CO 1.40 0.15 0.00 -0.62 -0.25 0.00 0.00 175.52 176.20 3kda n GLU 212 N -3.41 0.29 0.23 4.72 1.02 -1.26 -1.68 120.64 120.54 3kda n GLU 212 Ca -0.01 0.02 0.16 0.00 -0.02 0.00 0.00 57.16 57.31 3kda n GLU 212 Cb 0.34 -1.50 0.65 0.00 -0.02 0.00 0.00 31.44 30.91 3kda n GLU 212 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 3kda h VAL 213 N 0.00 0.00 -1.65 2.62 -1.51 -1.91 -3.35 116.25 110.46 3kda h VAL 213 Ca 0.00 -0.39 -0.75 0.00 -1.23 0.00 0.00 66.70 64.33 3kda h VAL 213 Cb 0.33 1.30 -0.16 0.00 -2.13 0.00 0.00 31.29 30.63 3kda h VAL 213 CO 0.00 0.00 1.79 0.49 -1.23 0.00 0.00 177.57 178.62 3kda n PHE 214 N -2.81 3.85 -1.00 5.19 3.72 -0.68 -4.93 117.46 120.80 3kda n PHE 214 Ca 0.01 -3.03 -0.32 0.00 -0.05 0.00 0.00 57.45 54.06 3kda n PHE 214 Cb 0.27 -2.09 0.13 0.00 -0.94 0.00 0.00 39.48 36.85 3kda n PHE 214 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kda s SER 215 N 1.85 3.62 0.31 4.37 1.04 -1.26 -4.77 113.70 118.86 3kda s SER 215 Ca 0.42 2.12 0.03 0.00 0.48 0.00 0.00 55.95 58.99 3kda s SER 215 Cb 0.04 -2.56 0.60 0.00 0.10 0.00 0.00 66.02 64.21 3kda s SER 215 CO 0.00 -2.64 1.89 -0.33 0.98 0.00 0.00 173.24 173.14 3kda h GLU 216 N -1.35 0.92 -0.34 4.02 4.39 -1.95 -0.44 114.58 119.83 3kda h GLU 216 Ca -0.44 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 3kda h GLU 216 Cb 1.26 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 3kda h GLU 216 CO 0.46 0.61 0.17 -0.09 -1.16 0.00 0.00 179.01 178.99 3kda h ARG 217 N 0.94 0.49 -0.37 2.33 2.43 -1.99 -0.08 114.38 118.13 3kda h ARG 217 Ca 0.42 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.42 3kda h ARG 217 Cb 0.38 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3kda h ARG 217 CO -0.19 0.44 -0.19 1.25 -1.51 0.00 0.00 179.97 179.78 3kda h LEU 218 N 0.42 0.81 -1.10 3.80 5.85 -1.80 -2.55 115.31 120.73 3kda h LEU 218 Ca 0.12 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3kda h LEU 218 Cb 0.11 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3kda h LEU 218 CO -0.02 1.04 0.40 -0.07 -0.34 0.00 0.00 178.44 179.46 3kda h LEU 219 N 0.58 0.92 -0.59 2.25 3.38 -0.99 -2.00 115.31 118.86 3kda h LEU 219 Ca 0.08 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.01 3kda h LEU 219 Cb 0.74 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3kda h LEU 219 CO 0.06 0.74 0.35 0.44 0.09 0.00 0.00 178.44 180.12 3kda h ASP 220 N 1.03 0.56 -0.05 -0.43 3.32 -0.79 0.22 116.42 120.28 3kda h ASP 220 Ca 0.26 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 3kda h ASP 220 Cb 0.03 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3kda h ASP 220 CO -0.04 0.38 0.03 -0.07 -1.72 0.00 0.00 179.24 177.82 3kda h LEU 221 N 0.68 0.06 -0.55 1.55 3.38 -1.01 -1.73 115.31 117.70 3kda h LEU 221 Ca 0.25 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 3kda h LEU 221 Cb 0.06 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3kda h LEU 221 CO -0.12 0.09 -0.11 1.88 0.09 0.00 0.00 178.44 180.27 3kda h TYR 222 N 0.03 1.17 -0.61 1.13 0.05 -1.16 -3.16 116.97 114.42 3kda h TYR 222 Ca 0.02 -0.25 -0.09 0.00 0.05 0.00 0.00 58.73 58.47 3kda h TYR 222 Cb 0.04 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.47 3kda h TYR 222 CO -0.06 1.08 0.04 0.00 -1.05 0.00 0.00 178.16 178.16 3kda h ALA 223 N 0.93 0.91 0.00 3.88 0.00 -0.83 -2.44 119.26 121.70 3kda h ALA 223 Ca 0.14 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3kda h ALA 223 Cb 0.69 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3kda h ALA 223 CO 0.05 0.66 -0.26 0.07 0.00 0.00 0.00 179.25 179.76 3kda h ARG 224 N 0.96 0.00 0.03 0.00 0.11 -1.28 -0.79 114.38 113.42 3kda h ARG 224 Ca 0.18 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.26 3kda h ARG 224 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 3kda h ARG 224 CO 0.02 0.26 -0.02 1.03 0.10 0.00 0.00 179.97 181.37 3kda h SER 225 N 0.00 -0.04 1.09 0.08 0.87 -1.45 -3.29 113.55 110.82 3kda h SER 225 Ca -0.00 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 3kda h SER 225 Cb 0.53 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 3kda h SER 225 CO 0.03 0.54 0.00 0.00 -0.53 0.00 0.00 176.83 176.87 3kda n TYR 226 N -4.84 0.20 0.44 2.24 -0.00 -0.96 -2.75 117.16 111.50 3kda n TYR 226 Ca -0.09 0.06 0.13 0.00 -0.00 0.00 0.00 57.90 58.00 3kda n TYR 226 Cb 0.29 -0.59 0.43 0.00 -0.00 0.00 0.00 39.34 39.47 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 2.89 1.00 -1.99 -3.48 0.00 -1.21 -2.51 119.26 113.96 3kda h ALA 227 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 3kda h ALA 227 Cb 0.55 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.38 3kda h ALA 227 CO 0.00 0.00 0.83 1.63 0.00 0.00 0.00 179.25 181.71 3kda n LYS 228 N -2.50 1.83 -0.26 0.00 5.02 -1.11 -4.75 118.16 116.38 3kda n LYS 228 Ca 0.04 0.67 0.07 0.00 -2.02 0.00 0.00 58.31 57.06 3kda n LYS 228 Cb 0.37 -2.42 0.21 0.00 -0.02 0.00 0.00 35.03 33.16 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 6.80 0.35 0.00 1.97 0.11 -1.92 0.33 132.00 139.64 3kda h PRO 229 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3kda h PRO 229 Cb 1.28 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3kda h PRO 229 CO 0.89 0.23 -0.19 1.12 -0.21 0.00 0.00 178.00 179.84 3kda h HIS 230 N 0.36 0.00 0.14 0.65 2.07 -1.92 -2.44 115.15 114.00 3kda h HIS 230 Ca 0.44 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.68 3kda h HIS 230 Cb 0.74 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.73 3kda h HIS 230 CO -0.20 0.19 -1.26 0.77 -3.07 0.00 0.00 177.93 174.36 3kda h SER 231 N 0.00 0.49 -0.11 3.10 0.02 -0.54 -1.18 113.55 115.34 3kda h SER 231 Ca -0.00 -0.52 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 3kda h SER 231 Cb 0.45 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 3kda h SER 231 CO 0.03 1.40 0.05 0.25 -1.14 0.00 0.00 176.83 177.42 3kda h LEU 232 N 0.09 0.14 -0.13 5.07 5.85 -0.66 -0.59 115.31 125.08 3kda h LEU 232 Ca -0.15 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 3kda h LEU 232 Cb 1.98 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.97 3kda h LEU 232 CO 0.21 0.21 0.08 -1.13 -0.34 0.00 0.00 178.44 177.48 3kda h ASN 233 N 0.06 0.16 -0.82 1.25 -0.73 -1.51 -2.89 115.58 111.10 3kda h ASN 233 Ca 0.04 -0.04 0.11 0.00 1.87 0.00 0.00 56.30 58.28 3kda h ASN 233 Cb 0.11 -0.04 -0.08 0.00 0.27 0.00 0.00 38.32 38.58 3kda h ASN 233 CO -0.01 0.15 0.45 0.00 -0.37 0.00 0.00 177.43 177.65 3kda h ALA 234 N 1.02 1.18 -0.58 1.57 0.00 -1.08 -1.53 119.26 119.85 3kda h ALA 234 Ca 0.05 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.12 3kda h ALA 234 Cb 0.02 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.62 3kda h ALA 234 CO -0.01 0.03 0.04 0.77 0.00 0.00 0.00 179.25 180.08 3kda h SER 235 N 0.72 -0.17 1.62 0.00 0.02 -0.89 -2.03 113.55 112.82 3kda h SER 235 Ca 0.41 0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 61.43 3kda h SER 235 Cb 0.45 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 3kda h SER 235 CO -0.28 -0.07 -0.39 -0.26 -1.14 0.00 0.00 176.83 174.69 3kda h PHE 236 N 0.16 0.00 -0.15 3.45 0.04 -1.31 -3.15 116.94 115.99 3kda h PHE 236 Ca 0.30 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.06 3kda h PHE 236 Cb 0.47 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 3kda h PHE 236 CO -0.31 0.28 0.02 0.93 -0.60 0.00 0.00 178.31 178.62 3kda h GLU 237 N 0.00 0.20 -0.90 1.51 4.39 -0.55 -0.32 114.58 118.92 3kda h GLU 237 Ca -0.01 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.70 3kda h GLU 237 Cb 1.22 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.78 3kda h GLU 237 CO 0.03 0.21 0.59 1.88 -1.16 0.00 0.00 179.01 180.57 3kda h TYR 238 N 0.20 1.09 0.02 4.33 0.05 -1.48 -1.33 116.97 119.84 3kda h TYR 238 Ca 0.05 0.03 -0.21 0.00 0.05 0.00 0.00 58.73 58.65 3kda h TYR 238 Cb 0.12 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.49 3kda h TYR 238 CO 0.00 0.63 -0.94 1.88 -1.05 0.00 0.00 178.16 178.68 3kda h TYR 239 N 1.12 0.37 0.00 4.88 0.05 -1.35 -2.88 116.97 119.16 3kda h TYR 239 Ca 0.36 -0.21 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 3kda h TYR 239 Cb 0.02 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 37.72 3kda h TYR 239 CO -0.00 1.05 -0.05 0.00 -1.05 0.00 0.00 178.16 178.11 3kda h ARG 240 N 0.12 0.00 -0.07 4.88 3.08 -0.69 -2.02 114.38 119.69 3kda h ARG 240 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3kda h ARG 240 Cb 1.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.64 3kda h ARG 240 CO 0.15 0.05 0.00 0.00 -1.07 0.00 0.00 179.97 179.10 3kda n ALA 241 N -2.15 2.50 -0.10 0.04 0.00 -0.54 -4.58 120.51 115.68 3kda n ALA 241 Ca -0.01 -0.63 -0.08 0.00 0.00 0.00 0.00 53.44 52.72 3kda n ALA 241 Cb 0.24 -0.95 -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 3.77 0.34 -1.23 0.00 5.85 -1.15 -0.30 115.31 122.59 3kda h LEU 242 Ca 0.00 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3kda h LEU 242 Cb 0.80 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 3kda h LEU 242 CO 0.00 0.25 0.14 0.78 -0.34 0.00 0.00 178.44 179.26 3kda h ASN 243 N 0.41 0.62 -0.48 1.25 -0.26 -1.81 0.08 115.58 115.40 3kda h ASN 243 Ca 0.12 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 3kda h ASN 243 Cb -0.02 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.06 3kda h ASN 243 CO -0.04 0.60 0.26 -0.08 -1.06 0.00 0.00 177.43 177.10 3kda h GLU 244 N 0.66 0.67 -0.76 0.81 4.81 -1.70 -1.87 114.58 117.19 3kda h GLU 244 Ca 0.15 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3kda h GLU 244 Cb 0.21 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 3kda h GLU 244 CO -0.01 0.53 0.48 0.77 -0.73 0.00 0.00 179.01 180.05 3kda h SER 245 N 0.63 0.80 -0.34 1.04 0.02 -0.15 0.54 113.55 116.09 3kda h SER 245 Ca 0.17 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 3kda h SER 245 Cb 0.05 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 3kda h SER 245 CO -0.03 0.55 0.11 0.58 -1.14 0.00 0.00 176.83 176.91 3kda h VAL 246 N 0.95 0.89 -0.76 2.27 2.07 -0.80 0.11 116.25 120.97 3kda h VAL 246 Ca 0.30 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.70 3kda h VAL 246 Cb 0.00 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3kda h VAL 246 CO -0.11 0.05 0.34 0.03 0.02 0.00 0.00 177.57 177.90 3kda h ARG 247 N 0.25 1.12 -0.32 1.57 3.08 -0.64 -1.49 114.38 117.95 3kda h ARG 247 Ca 0.16 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3kda h ARG 247 Cb 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3kda h ARG 247 CO -0.17 0.89 0.17 1.96 -1.07 0.00 0.00 179.97 181.75 3kda h GLN 248 N 1.09 0.44 0.00 0.04 4.20 -0.55 -3.02 115.11 117.30 3kda h GLN 248 Ca 0.26 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.85 3kda h GLN 248 Cb 0.16 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3kda h GLN 248 CO -0.03 0.37 -0.30 -0.91 -0.67 0.00 0.00 178.83 177.29 3kda h ASN 249 N 0.39 0.00 -0.77 1.46 2.35 -0.56 -2.41 115.58 116.04 3kda h ASN 249 Ca 0.11 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.94 3kda h ASN 249 Cb 0.06 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 3kda h ASN 249 CO -0.02 0.30 0.51 0.00 -1.65 0.00 0.00 177.43 176.57 3kda h ALA 250 N 1.70 1.70 0.01 -0.83 0.00 -1.15 0.11 119.26 120.80 3kda h ALA 250 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3kda h ALA 250 Cb 0.63 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3kda h ALA 250 CO 0.04 0.16 -0.12 0.93 0.00 0.00 0.00 179.25 180.26 3kda h GLU 251 N 0.78 0.06 -0.47 0.00 4.39 -1.53 -3.36 114.58 114.45 3kda h GLU 251 Ca 0.34 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.98 3kda h GLU 251 Cb 0.32 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 3kda h GLU 251 CO -0.12 0.95 0.31 -0.07 -1.16 0.00 0.00 179.01 178.92 3kda h LEU 252 N -0.80 0.50 0.00 1.33 3.38 -0.99 -2.72 115.31 116.01 3kda h LEU 252 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kda h LEU 252 Cb 1.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3kda h LEU 252 CO 0.02 0.35 0.00 0.00 0.09 0.00 0.00 178.44 178.90 3kda n ALA 253 N -2.47 2.08 0.16 1.53 0.00 0.32 -2.70 120.51 119.42 3kda n ALA 253 Ca 0.05 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.49 3kda n ALA 253 Cb 0.10 -1.28 0.56 0.00 0.00 0.00 0.00 19.45 18.83 3kda n ALA 253 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kda n LYS 254 N -1.09 0.13 -4.06 0.00 4.76 -1.02 -4.33 118.16 112.55 3kda n LYS 254 Ca 0.12 0.63 -0.32 0.00 -2.87 0.00 0.00 58.31 55.87 3kda n LYS 254 Cb 0.08 -1.95 -0.16 0.00 -1.84 0.00 0.00 35.03 31.17 3kda n LYS 254 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3kda s THR 255 N -3.52 1.94 0.49 -0.18 2.01 -1.10 -5.12 115.64 110.17 3kda s THR 255 Ca -0.02 -1.15 -0.21 0.00 0.31 0.00 0.00 61.69 60.62 3kda s THR 255 Cb 0.06 -1.92 -0.07 0.00 0.01 0.00 0.00 72.50 70.58 3kda s THR 255 CO 0.19 0.26 1.13 -0.13 -0.69 0.00 0.00 174.62 175.37 3kda s ARG 256 N 1.28 3.63 0.25 4.92 0.52 -1.26 -5.01 118.95 123.28 3kda s ARG 256 Ca -0.01 1.64 -0.30 0.00 -0.52 0.00 0.00 55.73 56.55 3kda s ARG 256 Cb -0.16 -2.22 -0.09 0.00 0.52 0.00 0.00 34.95 33.00 3kda s ARG 256 CO -0.09 -0.63 1.08 -0.51 0.02 0.00 0.00 175.30 175.17 3kda s LEU 257 N -3.36 4.55 0.00 2.53 1.43 0.15 -4.90 118.68 119.08 3kda s LEU 257 Ca 0.67 2.20 0.10 0.00 -1.03 0.00 0.00 54.13 56.07 3kda s LEU 257 Cb -0.25 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.32 3kda s LEU 257 CO 0.29 -0.13 0.58 0.00 0.23 0.00 0.00 176.35 177.33 3kda n GLN 258 N 1.49 2.49 -2.68 1.70 1.13 -1.26 -1.49 117.38 118.77 3kda n GLN 258 Ca -0.00 -0.46 -0.28 0.00 -1.94 0.00 0.00 57.00 54.31 3kda n GLN 258 Cb 0.45 -1.05 -0.01 0.00 0.11 0.00 0.00 30.24 29.74 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 -1.50 3.62 0.20 -1.09 0.23 -1.26 -4.79 119.30 114.71 3kda s MET 259 Ca 0.07 0.31 -0.32 0.00 -1.03 0.00 0.00 55.69 54.72 3kda s MET 259 Cb 0.08 -2.37 -0.12 0.00 -1.53 0.00 0.00 34.83 30.89 3kda s MET 259 CO 0.29 -0.16 1.70 -2.14 -2.03 0.00 0.00 175.02 172.68 3kda s PRO 260 N -4.45 4.14 0.09 3.16 0.02 -1.26 -4.55 135.00 132.15 3kda s PRO 260 Ca 0.49 2.57 0.06 0.00 0.02 0.00 0.00 61.00 64.14 3kda s PRO 260 Cb -0.10 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 3kda s PRO 260 CO 0.41 -0.73 -0.16 0.95 -0.33 0.00 0.00 177.00 177.13 3kda s THR 261 N 1.24 1.32 -0.02 0.99 -4.23 -0.09 -1.76 115.64 113.09 3kda s THR 261 Ca 0.74 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 3kda s THR 261 Cb -0.49 -1.29 -0.00 0.00 1.34 0.00 0.00 72.50 72.06 3kda s THR 261 CO 0.32 -0.22 -0.09 -0.32 -0.54 0.00 0.00 174.62 173.77 3kda s MET 262 N -1.97 0.88 0.01 3.99 1.75 -0.22 -1.75 119.30 121.98 3kda s MET 262 Ca 0.02 -0.31 0.03 0.00 -1.25 0.00 0.00 55.69 54.19 3kda s MET 262 Cb -0.09 -0.83 -0.03 0.00 2.84 0.00 0.00 34.83 36.72 3kda s MET 262 CO 0.03 0.15 -0.07 0.95 -0.65 0.00 0.00 175.02 175.42 3kda s THR 263 N 0.04 3.59 0.04 10.11 -4.23 0.12 -1.43 115.64 123.88 3kda s THR 263 Ca -0.01 -0.80 0.07 0.00 -1.18 0.00 0.00 61.69 59.77 3kda s THR 263 Cb -0.07 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.19 3kda s THR 263 CO 0.00 0.39 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.52 3kda s LEU 264 N -1.42 2.17 0.01 4.79 1.43 -0.60 -1.29 118.68 123.77 3kda s LEU 264 Ca 0.17 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 3kda s LEU 264 Cb -0.11 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.24 3kda s LEU 264 CO 0.07 0.13 0.23 0.00 0.23 0.00 0.00 176.35 177.01 3kda s ALA 265 N -0.82 -0.56 0.26 4.21 0.00 -0.60 -2.10 121.76 122.15 3kda s ALA 265 Ca 0.06 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 3kda s ALA 265 Cb -0.09 0.14 -0.09 0.00 0.00 0.00 0.00 23.12 23.08 3kda s ALA 265 CO 0.02 -0.27 0.93 0.20 0.00 0.00 0.00 175.76 176.64 3kda s GLY 266 N -1.54 3.03 0.00 0.00 0.00 -1.23 -0.55 107.32 107.03 3kda s GLY 266 Ca -0.12 0.58 0.23 0.00 0.00 0.00 0.00 44.72 45.41 3kda s GLY 266 CO 0.01 1.12 1.10 0.61 0.00 0.00 0.00 173.10 175.95 3kda n GLY 267 N 1.26 -0.77 0.16 0.20 0.00 0.22 -1.24 105.19 105.02 3kda n GLY 267 Ca -0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 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 1.47 0.79 3.69 -0.02 0.00 0.71 -4.77 105.19 107.05 3kda n GLY 268 Ca 0.06 -1.96 -0.45 0.00 0.00 0.00 0.00 46.02 43.67 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 -3.00 1.81 -0.00 4.61 0.00 -1.26 -1.87 120.51 120.80 3kda n ALA 269 Ca -0.01 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3kda n ALA 269 Cb 0.02 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.08 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 3.41 1.04 3.94 0.00 0.00 -1.26 -2.52 105.19 109.80 3kda n GLY 270 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.99 1.62 0.22 -0.02 0.00 -0.78 -3.34 107.32 103.03 3kda s GLY 271 Ca 0.00 -0.95 0.25 0.00 0.00 0.00 0.00 44.72 44.02 3kda s GLY 271 CO 0.00 -0.72 1.59 -0.33 0.00 0.00 0.00 173.10 173.64 3kda h MET 272 N 0.10 0.00 0.00 2.90 2.07 -1.85 -3.47 114.93 114.68 3kda h MET 272 Ca -0.45 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.18 3kda h MET 272 Cb 1.26 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.99 3kda h MET 272 CO 0.58 0.00 0.00 0.41 1.07 0.00 0.00 176.91 178.97 3kda n GLY 273 N 1.27 2.71 0.07 8.32 0.00 -0.38 -2.32 105.19 114.86 3kda n GLY 273 Ca 0.04 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 0.95 -0.37 2.61 -2.24 -1.26 -3.28 114.28 110.69 3kda n THR 274 Ca 0.00 0.26 -0.02 0.00 -2.27 0.00 0.00 64.05 62.02 3kda n THR 274 Cb 0.00 -1.11 0.11 0.00 -2.10 0.00 0.00 70.33 67.23 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 1.24 0.22 4.78 3.04 -1.89 -2.46 116.94 121.87 3kda h PHE 275 Ca 0.00 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.99 3kda h PHE 275 Cb 0.29 -0.42 -0.02 0.00 2.56 0.00 0.00 35.95 38.36 3kda h PHE 275 CO 0.00 0.77 -0.25 0.37 -2.02 0.00 0.00 178.31 177.18 3kda h GLN 276 N 1.33 -0.50 -0.37 1.11 5.75 -1.73 -0.62 115.11 120.08 3kda h GLN 276 Ca 0.37 0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.84 3kda h GLN 276 Cb -0.13 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 3kda h GLN 276 CO -0.09 -0.33 -0.01 1.25 -2.65 0.00 0.00 178.83 177.00 3kda h LEU 277 N -0.52 0.65 -0.78 -2.39 5.85 -1.79 -1.91 115.31 114.42 3kda h LEU 277 Ca 0.00 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.43 3kda h LEU 277 Cb 0.49 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3kda h LEU 277 CO -0.08 0.81 0.51 -0.33 -0.34 0.00 0.00 178.44 179.01 3kda h GLU 278 N 0.47 0.98 -0.40 1.25 4.39 -1.18 -0.70 114.58 119.38 3kda h GLU 278 Ca 0.10 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 3kda h GLU 278 Cb 0.48 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3kda h GLU 278 CO 0.02 0.65 -0.06 0.37 -1.16 0.00 0.00 179.01 178.83 3kda h GLN 279 N 1.01 0.75 -0.12 2.33 4.15 -1.08 -3.12 115.11 119.04 3kda h GLN 279 Ca 0.30 -0.27 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 3kda h GLN 279 Cb -0.04 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 3kda h GLN 279 CO -0.09 0.87 -0.02 1.98 -1.93 0.00 0.00 178.83 179.64 3kda h MET 280 N 0.57 0.17 -0.28 1.69 4.05 -0.44 -1.21 114.93 119.48 3kda h MET 280 Ca 0.11 -0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.59 3kda h MET 280 Cb 0.57 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 3kda h MET 280 CO 0.03 0.21 0.21 0.87 0.23 0.00 0.00 176.91 178.46 3kda h LYS 281 N 0.17 0.00 0.00 0.39 1.57 -1.10 0.16 116.57 117.76 3kda h LYS 281 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3kda h LYS 281 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 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 1.85 1.00 0.00 3.86 0.00 -1.33 -3.32 119.26 121.32 3kda h ALA 282 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kda h ALA 282 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3kda h ALA 282 CO -0.00 0.00 -1.53 0.66 0.00 0.00 0.00 179.25 178.38 3kda n TYR 283 N -2.50 0.00 -4.14 0.00 4.02 0.40 -4.92 117.16 110.02 3kda n TYR 283 Ca 0.03 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.76 3kda n TYR 283 Cb 0.35 -0.27 -0.15 0.00 -0.02 0.00 0.00 39.34 39.25 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 -2.76 0.43 0.10 -0.72 0.00 -0.21 0.32 121.76 118.92 3kda s ALA 284 Ca -0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.67 3kda s ALA 284 Cb 0.07 -0.14 -0.19 0.00 0.00 0.00 0.00 23.12 22.86 3kda s ALA 284 CO 0.47 0.09 1.21 1.49 0.00 0.00 0.00 175.76 179.02 3kda h GLU 285 N 6.17 0.40 -3.61 0.00 4.22 -1.56 -3.42 114.58 116.78 3kda h GLU 285 Ca -0.29 -0.52 -0.64 0.00 0.08 0.00 0.00 59.36 57.98 3kda h GLU 285 Cb 1.19 0.17 -0.41 0.00 0.50 0.00 0.00 28.75 30.20 3kda h GLU 285 CO 0.50 1.19 -0.65 0.34 -2.18 0.00 0.00 179.01 178.21 3kda s ASP 286 N -7.17 4.38 -0.02 1.04 2.15 -1.26 -5.07 116.67 110.71 3kda s ASP 286 Ca -0.06 -2.85 0.01 0.00 0.43 0.00 0.00 52.55 50.08 3kda s ASP 286 Cb 0.08 -1.62 0.01 0.00 -0.30 0.00 0.00 42.92 41.09 3kda s ASP 286 CO 0.88 -0.26 -0.03 0.54 -0.17 0.00 0.00 175.17 176.14 3kda s VAL 287 N -0.06 0.33 0.04 1.11 0.11 -1.26 -0.91 120.40 119.75 3kda s VAL 287 Ca 0.16 -0.07 0.08 0.00 -2.93 0.00 0.00 61.98 59.22 3kda s VAL 287 Cb -0.25 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 3kda s VAL 287 CO -0.02 0.15 -0.21 -1.83 -3.33 0.00 0.00 175.10 169.86 3kda s GLU 288 N 0.56 1.96 0.12 1.54 -1.05 -0.72 -5.01 118.70 116.10 3kda s GLU 288 Ca -0.06 -1.03 0.08 0.00 -0.15 0.00 0.00 54.97 53.80 3kda s GLU 288 Cb -0.09 -2.10 -0.04 0.00 -0.44 0.00 0.00 34.13 31.46 3kda s GLU 288 CO -0.01 0.53 -0.18 0.20 0.95 0.00 0.00 175.26 176.75 3kda s GLY 289 N -1.35 1.20 -0.01 -3.83 0.00 -1.26 -0.70 107.32 101.37 3kda s GLY 289 Ca 0.13 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 43.59 3kda s GLY 289 CO 0.04 -1.30 -0.06 0.30 0.00 0.00 0.00 173.10 172.08 3kda s HIS 290 N -1.53 0.54 -0.19 1.90 3.76 -0.41 -4.95 115.29 114.42 3kda s HIS 290 Ca 0.08 -0.10 -0.03 0.00 -0.15 0.00 0.00 55.06 54.85 3kda s HIS 290 Cb -0.08 -0.36 -0.01 0.00 1.11 0.00 0.00 32.58 33.24 3kda s HIS 290 CO 0.04 -0.02 -0.06 0.08 -0.85 0.00 0.00 174.74 173.94 3kda s VAL 291 N -0.09 3.39 -0.32 -0.90 1.01 -1.26 -1.56 120.40 120.67 3kda s VAL 291 Ca 0.02 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 3kda s VAL 291 Cb -0.03 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 3kda s VAL 291 CO -0.00 0.46 0.36 -0.76 0.00 0.00 0.00 175.10 175.15 3kda s LEU 292 N 1.05 4.28 0.41 3.92 1.02 0.29 -4.79 118.68 124.86 3kda s LEU 292 Ca 0.01 -0.06 -0.26 0.00 0.02 0.00 0.00 54.13 53.84 3kda s LEU 292 Cb -0.15 -2.36 -0.09 0.00 0.02 0.00 0.00 46.19 43.62 3kda s LEU 292 CO -0.00 -0.28 1.31 -2.84 0.02 0.00 0.00 176.35 174.56 3kda s PRO 293 N 2.03 3.94 -0.53 1.29 0.02 -1.26 -0.61 135.00 139.87 3kda s PRO 293 Ca 0.13 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.32 3kda s PRO 293 Cb -0.16 -2.74 0.00 0.00 0.02 0.00 0.00 34.50 31.62 3kda s PRO 293 CO 0.11 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.67 3kda n GLY 294 N 0.66 0.74 3.12 0.52 0.00 -1.26 -4.88 105.19 104.09 3kda n GLY 294 Ca 0.04 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 2.86 0.71 0.11 0.00 0.00 -1.25 -0.21 105.19 107.40 3kda n GLY 296 Ca -0.16 -0.20 -0.06 0.00 0.00 0.00 0.00 46.02 45.61 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 0.10 -2.05 1.61 2.76 -0.92 -3.27 115.15 113.37 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 0.87 1.40 0.91 -1.30 0.00 0.00 177.93 179.81 3kda n TRP 298 N -3.59 2.62 -0.26 5.26 7.02 -1.26 -4.85 117.44 122.38 3kda n TRP 298 Ca -0.02 -2.64 0.02 0.00 -1.02 0.00 0.00 57.50 53.85 3kda n TRP 298 Cb 0.80 -1.43 0.15 0.00 -2.42 0.00 0.00 31.31 28.41 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 5.13 0.48 -1.92 -0.99 3.38 -1.96 0.09 115.31 119.52 3kda h LEU 299 Ca 0.49 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.53 3kda h LEU 299 Cb 0.41 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3kda h LEU 299 CO 1.33 0.26 0.04 -0.65 0.09 0.00 0.00 178.44 179.50 3kda h PRO 300 N 0.61 0.09 0.04 1.13 0.11 -1.87 -0.97 132.00 131.14 3kda h PRO 300 Ca 0.37 -0.01 -0.38 0.00 0.11 0.00 0.00 66.00 66.10 3kda h PRO 300 Cb 0.41 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.45 3kda h PRO 300 CO -0.28 0.06 -2.29 0.39 -0.21 0.00 0.00 178.00 175.67 3kda n GLU 301 N -4.52 0.69 0.09 1.05 1.02 -0.81 -3.54 120.64 114.62 3kda n GLU 301 Ca -0.02 0.18 -0.06 0.00 -0.02 0.00 0.00 57.16 57.25 3kda n GLU 301 Cb 0.09 -1.59 0.09 0.00 -0.02 0.00 0.00 31.44 30.01 3kda n GLU 301 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kda h GLU 302 N 0.02 0.19 -1.10 3.49 5.08 -0.95 -3.37 114.58 117.95 3kda h GLU 302 Ca -0.52 -0.15 -0.37 0.00 -1.00 0.00 0.00 59.36 57.32 3kda h GLU 302 Cb 1.97 0.03 -0.36 0.00 0.50 0.00 0.00 28.75 30.90 3kda h GLU 302 CO -0.02 0.81 -1.06 0.00 -1.00 0.00 0.00 179.01 177.74 3kda h ALA 304 N 2.88 0.26 0.63 0.00 0.00 -1.60 -1.24 119.26 120.19 3kda h ALA 304 Ca -0.07 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kda h ALA 304 Cb 1.13 0.29 0.01 0.00 0.00 0.00 0.00 17.79 19.22 3kda h ALA 304 CO 0.41 -0.45 -0.30 0.00 0.00 0.00 0.00 179.25 178.91 3kda h ALA 305 N 1.38 -0.84 -0.46 0.00 0.00 -1.92 0.70 119.26 118.12 3kda h ALA 305 Ca 0.18 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3kda h ALA 305 Cb 0.28 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3kda h ALA 305 CO -0.39 -0.94 -0.15 -1.00 0.00 0.00 0.00 179.25 176.77 3kda h PRO 306 N -0.91 0.87 -0.25 0.00 0.13 -1.96 -1.58 132.00 128.30 3kda h PRO 306 Ca -0.09 -0.33 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 3kda h PRO 306 Cb 0.67 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 3kda h PRO 306 CO 0.14 0.96 0.06 1.98 -0.23 0.00 0.00 178.00 180.92 3kda h MET 307 N 0.77 0.40 -0.63 0.86 4.05 -1.19 -1.44 114.93 117.75 3kda h MET 307 Ca 0.12 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 3kda h MET 307 Cb 0.68 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.39 3kda h MET 307 CO 0.05 0.49 0.37 -0.91 0.23 0.00 0.00 176.91 177.14 3kda h ASN 308 N 0.23 0.76 -0.12 1.39 2.35 -0.79 -1.25 115.58 118.14 3kda h ASN 308 Ca 0.08 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3kda h ASN 308 Cb 0.27 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3kda h ASN 308 CO 0.00 0.61 0.05 -0.09 -1.65 0.00 0.00 177.43 176.34 3kda h ARG 309 N 0.85 0.11 -0.62 0.81 9.65 -1.16 0.16 114.38 124.18 3kda h ARG 309 Ca 0.22 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.13 3kda h ARG 309 Cb -0.01 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 3kda h ARG 309 CO -0.04 0.07 0.38 -0.07 2.80 0.00 0.00 179.97 183.11 3kda h LEU 310 N 0.11 0.61 -0.08 3.80 3.38 -0.93 -0.23 115.31 121.97 3kda h LEU 310 Ca 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3kda h LEU 310 Cb 0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3kda h LEU 310 CO -0.05 0.42 -0.00 0.58 0.09 0.00 0.00 178.44 179.48 3kda h VAL 311 N 0.73 1.26 -0.37 1.22 2.07 -1.00 -1.46 116.25 118.71 3kda h VAL 311 Ca 0.25 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.97 3kda h VAL 311 Cb 0.04 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3kda h VAL 311 CO -0.11 0.23 0.21 0.40 0.02 0.00 0.00 177.57 178.32 3kda h ILE 312 N -0.16 1.02 -0.49 4.57 2.04 -0.78 -1.10 117.51 122.61 3kda h ILE 312 Ca 0.02 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 3kda h ILE 312 Cb 0.36 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3kda h ILE 312 CO 0.00 0.08 0.20 0.44 0.00 0.00 0.00 178.15 178.87 3kda h ASP 313 N 0.43 0.68 -0.44 1.72 3.32 -1.03 -0.80 116.42 120.30 3kda h ASP 313 Ca 0.15 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 3kda h ASP 313 Cb 0.02 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3kda h ASP 313 CO -0.08 0.66 0.06 0.15 -1.72 0.00 0.00 179.24 178.30 3kda h PHE 314 N 0.66 0.78 0.00 4.55 3.57 -0.98 -2.75 116.94 122.76 3kda h PHE 314 Ca 0.16 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 3kda h PHE 314 Cb 0.19 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3kda h PHE 314 CO 0.00 0.75 -0.45 -0.07 -2.23 0.00 0.00 178.31 176.31 3kda h LEU 315 N 0.58 0.00 0.00 0.59 3.38 -1.13 -3.01 115.31 115.72 3kda h LEU 315 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kda h LEU 315 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3kda h LEU 315 CO 0.01 0.45 0.00 -1.20 0.09 0.00 0.00 178.44 177.79 3kda n SER 316 N -3.59 0.00 0.27 -0.43 7.64 -0.31 -2.05 113.62 115.14 3kda n SER 316 Ca -0.00 -0.12 0.16 0.00 1.01 0.00 0.00 58.87 59.92 3kda n SER 316 Cb 0.55 -0.27 0.64 0.00 -1.01 0.00 0.00 64.21 64.12 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 -6.80 1.43 3.08 -1.37 -3.45 114.38 107.27 3kda h ARG 317 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 3kda h ARG 317 Cb 0.23 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.33 3kda h ARG 317 CO 0.00 0.05 -0.04 0.20 -1.07 0.00 0.00 179.97 179.11 3kda s GLY 318 N -4.20 1.78 0.22 0.04 0.00 -0.87 -5.04 107.32 99.24 3kda s GLY 318 Ca 0.01 -1.85 -0.32 0.00 0.00 0.00 0.00 44.72 42.56 3kda s GLY 318 CO 0.56 -1.41 1.36 0.54 0.00 0.00 0.00 173.10 174.15 3kda n ARG 319 N -2.41 1.83 -3.50 2.90 1.74 -1.26 -4.97 116.66 110.98 3kda n ARG 319 Ca 0.14 0.65 -0.09 0.00 -0.77 0.00 0.00 57.85 57.77 3kda n ARG 319 Cb 0.61 -2.28 -0.02 0.00 -1.02 0.00 0.00 32.46 29.75 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 -0.04 -0.40 0.17 -1.55 -3.43 -1.26 -4.80 115.29 103.97 3kda s HIS 320 Ca 0.70 0.21 -0.31 0.00 -0.80 0.00 0.00 55.06 54.87 3kda s HIS 320 Cb -0.70 0.56 -0.09 0.00 -1.43 0.00 0.00 32.58 30.92 3kda s HIS 320 CO 0.50 -0.71 1.36 -1.58 -2.00 0.00 0.00 174.74 172.31 3kda s HIS 321 N -3.42 3.22 -1.39 0.38 2.46 0.10 -5.01 115.29 111.64 3kda s HIS 321 Ca 0.04 1.07 0.11 0.00 0.47 0.00 0.00 55.06 56.75 3kda s HIS 321 Cb -0.01 -3.67 0.09 0.00 -0.13 0.00 0.00 32.58 28.86 3kda s HIS 321 CO -0.09 -2.22 0.85 0.72 -2.47 0.00 0.00 174.74 171.53