#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifr s GLN 8 N 0.00 1.58 -0.06 -0.14 -0.21 -1.25 -0.78 119.66 118.80 3ifr s GLN 8 Ca 0.00 -1.61 -0.29 0.00 0.02 0.00 0.00 55.36 53.48 3ifr s GLN 8 Cb 0.00 -1.82 0.06 0.00 1.00 0.00 0.00 33.01 32.26 3ifr s GLN 8 CO 0.00 0.37 0.64 0.54 -2.12 0.00 0.00 175.29 174.73 3ifr s VAL 9 N -1.97 0.01 -0.08 1.09 0.11 -0.60 -0.12 120.40 118.83 3ifr s VAL 9 Ca 0.24 -0.05 0.05 0.00 -2.93 0.00 0.00 61.98 59.29 3ifr s VAL 9 Cb -0.07 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 3ifr s VAL 9 CO 0.12 -0.03 -0.24 -0.63 -3.33 0.00 0.00 175.10 170.99 3ifr s ILE 10 N -1.11 2.14 -0.21 7.04 1.01 -0.23 -1.04 121.20 128.81 3ifr s ILE 10 Ca -0.11 -1.02 -0.06 0.00 0.00 0.00 0.00 60.65 59.46 3ifr s ILE 10 Cb -0.01 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 3ifr s ILE 10 CO 0.09 0.56 0.04 -0.83 0.00 0.00 0.00 174.94 174.80 3ifr s GLY 11 N 0.05 1.80 -0.16 6.18 0.00 -0.40 -2.65 107.32 112.14 3ifr s GLY 11 Ca -0.10 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.70 3ifr s GLY 11 CO 0.06 0.24 -0.18 -2.27 0.00 0.00 0.00 173.10 170.95 3ifr s LEU 12 N 0.93 1.95 -0.32 0.66 2.96 -0.68 -0.72 118.68 123.46 3ifr s LEU 12 Ca 0.03 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 3ifr s LEU 12 Cb -0.14 -1.35 0.06 0.00 0.50 0.00 0.00 46.19 45.26 3ifr s LEU 12 CO 0.02 -0.00 0.04 -0.62 -1.32 0.00 0.00 176.35 174.48 3ifr s ASP 13 N 1.24 4.99 -1.11 3.68 2.15 0.88 0.43 116.67 128.93 3ifr s ASP 13 Ca 0.02 -1.42 -0.18 0.00 0.43 0.00 0.00 52.55 51.40 3ifr s ASP 13 Cb -0.14 -1.74 0.11 0.00 -0.30 0.00 0.00 42.92 40.85 3ifr s ASP 13 CO -0.09 -0.32 1.42 -0.63 -0.17 0.00 0.00 175.17 175.38 3ifr s ILE 14 N 1.24 4.46 0.65 4.11 -1.09 0.42 -1.80 121.20 129.18 3ifr s ILE 14 Ca -0.02 -1.71 0.05 0.00 -2.23 0.00 0.00 60.65 56.74 3ifr s ILE 14 Cb -0.20 -4.98 0.11 0.00 -1.58 0.00 0.00 42.46 35.81 3ifr s ILE 14 CO -0.01 -1.76 0.89 -0.83 -1.23 0.00 0.00 174.94 171.99 3ifr s GLY 15 N 3.91 1.74 -0.00 6.18 0.00 -0.63 -4.32 107.32 114.19 3ifr s GLY 15 Ca 0.43 -1.98 -0.22 0.00 0.00 0.00 0.00 44.72 42.96 3ifr s GLY 15 CO -0.03 -1.46 1.15 -0.84 0.00 0.00 0.00 173.10 171.91 3ifr h THR 16 N -0.16 1.45 -0.11 0.90 2.02 -1.96 -3.34 112.91 111.70 3ifr h THR 16 Ca -0.32 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.06 3ifr h THR 16 Cb 1.28 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 70.12 3ifr h THR 16 CO 0.40 0.51 0.00 0.35 0.37 0.00 0.00 175.52 177.15 3ifr n THR 17 N -4.43 0.30 -3.57 3.16 -2.24 -1.26 -4.57 114.28 101.67 3ifr n THR 17 Ca -0.09 -0.65 -0.09 0.00 -2.27 0.00 0.00 64.05 60.95 3ifr n THR 17 Cb 0.51 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.74 3ifr n THR 17 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ifr s SER 18 N -0.95 -0.40 -0.16 3.42 1.04 -1.25 -1.18 113.70 114.22 3ifr s SER 18 Ca 0.16 -0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.41 3ifr s SER 18 Cb 0.10 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 3ifr s SER 18 CO 0.14 -0.94 -0.12 -0.89 0.98 0.00 0.00 173.24 172.42 3ifr s THR 19 N -3.55 2.94 -0.05 2.02 2.01 0.39 -1.61 115.64 117.80 3ifr s THR 19 Ca 0.06 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.42 3ifr s THR 19 Cb -0.02 -2.26 -0.00 0.00 0.01 0.00 0.00 72.50 70.23 3ifr s THR 19 CO -0.06 0.50 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.57 3ifr s ILE 20 N 0.83 1.39 0.10 1.82 1.01 -0.74 -1.05 121.20 124.55 3ifr s ILE 20 Ca -0.04 -0.68 0.07 0.00 0.00 0.00 0.00 60.65 60.00 3ifr s ILE 20 Cb -0.15 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 3ifr s ILE 20 CO 0.00 0.40 -0.19 0.00 0.00 0.00 0.00 174.94 175.16 3ifr s ALA 21 N 0.13 1.65 -0.02 9.38 0.00 0.10 -0.08 121.76 132.92 3ifr s ALA 21 Ca -0.06 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.73 3ifr s ALA 21 Cb -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.80 3ifr s ALA 21 CO 0.03 0.31 -0.08 0.96 0.00 0.00 0.00 175.76 176.98 3ifr s ILE 22 N -1.22 0.66 -0.34 0.00 -4.36 0.10 -1.04 121.20 115.00 3ifr s ILE 22 Ca 0.05 -0.30 -0.12 0.00 -0.26 0.00 0.00 60.65 60.01 3ifr s ILE 22 Cb -0.10 -0.59 -0.01 0.00 1.25 0.00 0.00 42.46 43.00 3ifr s ILE 22 CO 0.04 0.21 0.23 -0.22 0.24 0.00 0.00 174.94 175.44 3ifr s LEU 23 N 0.19 4.47 -0.14 0.37 2.96 -0.47 -1.28 118.68 124.78 3ifr s LEU 23 Ca -0.03 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3ifr s LEU 23 Cb -0.08 -2.11 0.02 0.00 0.50 0.00 0.00 46.19 44.52 3ifr s LEU 23 CO 0.00 -0.24 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.92 3ifr s VAL 24 N 1.70 1.79 -0.21 1.68 1.01 -0.21 -0.42 120.40 125.74 3ifr s VAL 24 Ca 0.06 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 3ifr s VAL 24 Cb -0.17 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 3ifr s VAL 24 CO 0.10 0.50 0.12 -0.60 0.00 0.00 0.00 175.10 175.22 3ifr s ARG 25 N 1.06 4.10 0.15 2.72 3.52 -0.51 -1.56 118.95 128.43 3ifr s ARG 25 Ca -0.03 -0.27 -0.30 0.00 -0.13 0.00 0.00 55.73 55.00 3ifr s ARG 25 Cb -0.14 -3.41 -0.07 0.00 -1.56 0.00 0.00 34.95 29.76 3ifr s ARG 25 CO -0.05 0.21 1.08 -0.51 -0.81 0.00 0.00 175.30 175.22 3ifr s LEU 26 N 0.60 4.48 -0.16 -0.88 1.02 0.04 -2.21 118.68 121.58 3ifr s LEU 26 Ca 0.07 2.02 0.17 0.00 0.02 0.00 0.00 54.13 56.41 3ifr s LEU 26 Cb -0.12 -3.60 0.38 0.00 0.02 0.00 0.00 46.19 42.87 3ifr s LEU 26 CO 0.01 -0.21 1.25 -0.81 0.02 0.00 0.00 176.35 176.60 3ifr n PRO 27 N 2.59 1.83 0.00 1.29 -0.04 -1.26 -4.61 135.00 134.80 3ifr n PRO 27 Ca 0.03 -2.73 0.00 0.00 -0.04 0.00 0.00 63.50 60.76 3ifr n PRO 27 Cb 0.47 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 3ifr n PRO 27 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3ifr n ASP 28 N -1.12 0.00 -3.87 3.54 4.64 -1.08 -5.10 116.55 113.56 3ifr n ASP 28 Ca 0.19 0.00 -0.28 0.00 -1.38 0.00 0.00 54.79 53.31 3ifr n ASP 28 Cb 0.74 0.00 -0.16 0.00 -1.04 0.00 0.00 41.12 40.65 3ifr n ASP 28 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3ifr s THR 29 N 0.00 1.05 -0.44 5.18 2.01 -0.94 -5.04 115.64 117.46 3ifr s THR 29 Ca 0.00 -0.68 -0.26 0.00 0.31 0.00 0.00 61.69 61.06 3ifr s THR 29 Cb 0.00 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.24 3ifr s THR 29 CO 0.00 0.04 0.98 -0.69 -0.69 0.00 0.00 174.62 174.26 3ifr s VAL 30 N 1.65 4.45 0.08 3.82 1.01 -1.26 -1.42 120.40 128.72 3ifr s VAL 30 Ca -0.00 1.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.83 3ifr s VAL 30 Cb -0.16 -4.44 -0.20 0.00 0.00 0.00 0.00 36.38 31.58 3ifr s VAL 30 CO -0.07 -0.78 1.23 0.58 0.00 0.00 0.00 175.10 176.05 3ifr h VAL 31 N 6.03 1.30 -2.23 2.92 2.07 -1.10 -3.48 116.25 121.77 3ifr h VAL 31 Ca -0.23 -2.08 -0.07 0.00 0.82 0.00 0.00 66.70 65.13 3ifr h VAL 31 Cb 1.07 2.22 -0.20 0.00 -1.52 0.00 0.00 31.29 32.86 3ifr h VAL 31 CO 1.04 0.65 0.07 0.00 0.02 0.00 0.00 177.57 179.34 3ifr s ALA 32 N -3.51 -1.55 -0.02 1.67 0.00 -1.14 -4.88 121.76 112.32 3ifr s ALA 32 Ca -0.11 1.30 0.07 0.00 0.00 0.00 0.00 51.96 53.22 3ifr s ALA 32 Cb 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 3ifr s ALA 32 CO 0.90 -0.33 -0.22 0.08 0.00 0.00 0.00 175.76 176.19 3ifr s VAL 33 N -0.77 1.74 0.01 0.00 1.01 -1.26 -1.37 120.40 119.76 3ifr s VAL 33 Ca -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3ifr s VAL 33 Cb -0.02 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 3ifr s VAL 33 CO 0.06 0.49 -0.02 0.00 0.00 0.00 0.00 175.10 175.64 3ifr s ALA 34 N -0.46 0.09 0.06 5.51 0.00 -0.20 -4.95 121.76 121.80 3ifr s ALA 34 Ca 0.07 -0.42 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 3ifr s ALA 34 Cb -0.09 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.15 3ifr s ALA 34 CO -0.00 -0.11 0.29 -1.54 0.00 0.00 0.00 175.76 174.39 3ifr s SER 35 N -1.03 -0.08 -0.01 0.00 1.04 -1.26 0.01 113.70 112.37 3ifr s SER 35 Ca -0.11 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.00 3ifr s SER 35 Cb -0.07 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3ifr s SER 35 CO -0.01 -0.65 0.05 -0.13 0.98 0.00 0.00 173.24 173.48 3ifr s ARG 36 N -2.91 0.13 0.60 4.02 1.81 -0.22 -4.95 118.95 117.44 3ifr s ARG 36 Ca -0.02 -0.05 -0.19 0.00 -1.72 0.00 0.00 55.73 53.75 3ifr s ARG 36 Cb 0.00 0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.53 3ifr s ARG 36 CO -0.06 -0.02 1.19 -1.25 -0.68 0.00 0.00 175.30 174.49 3ifr s PRO 37 N -0.28 2.97 0.05 3.54 0.04 -1.26 -0.46 135.00 139.60 3ifr s PRO 37 Ca -0.03 1.78 0.08 0.00 0.04 0.00 0.00 61.00 62.86 3ifr s PRO 37 Cb -0.02 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 3ifr s PRO 37 CO 0.00 -1.19 -0.22 0.99 0.04 0.00 0.00 177.00 176.62 3ifr s THR 38 N -1.67 1.79 -0.27 1.26 2.01 -0.32 -4.74 115.64 113.69 3ifr s THR 38 Ca 0.76 -1.27 -0.11 0.00 0.31 0.00 0.00 61.69 61.39 3ifr s THR 38 Cb -0.29 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 3ifr s THR 38 CO 0.33 0.23 0.18 -0.89 -0.69 0.00 0.00 174.62 173.79 3ifr s THR 39 N -0.82 5.30 -0.16 -0.82 2.01 -1.26 -4.52 115.64 115.38 3ifr s THR 39 Ca 0.08 0.17 -0.20 0.00 0.31 0.00 0.00 61.69 62.06 3ifr s THR 39 Cb -0.09 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 3ifr s THR 39 CO 0.02 0.26 0.56 -0.22 -0.69 0.00 0.00 174.62 174.55 3ifr s LEU 40 N 1.67 4.21 -0.15 4.42 2.96 -1.26 -4.56 118.68 125.96 3ifr s LEU 40 Ca 0.07 0.83 -0.02 0.00 -0.22 0.00 0.00 54.13 54.78 3ifr s LEU 40 Cb -0.16 -2.80 -0.02 0.00 0.50 0.00 0.00 46.19 43.71 3ifr s LEU 40 CO 0.10 -0.14 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.36 3ifr s SER 41 N 0.96 4.44 -0.41 3.68 0.15 -0.14 -4.95 113.70 117.43 3ifr s SER 41 Ca 0.28 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.72 3ifr s SER 41 Cb -0.16 -1.71 0.12 0.00 -1.71 0.00 0.00 66.02 62.56 3ifr s SER 41 CO 0.11 0.15 0.16 -0.94 1.20 0.00 0.00 173.24 173.92 3ifr s SER 42 N 0.45 4.23 0.33 5.45 1.04 -1.26 -0.42 113.70 123.53 3ifr s SER 42 Ca -0.06 -2.40 0.26 0.00 0.48 0.00 0.00 55.95 54.23 3ifr s SER 42 Cb -0.15 -1.34 1.15 0.00 0.10 0.00 0.00 66.02 65.78 3ifr s SER 42 CO 0.04 -0.32 1.77 -0.65 0.98 0.00 0.00 173.24 175.06 3ifr h PRO 43 N 7.19 0.00 -3.17 4.02 0.11 -1.98 -3.43 132.00 134.73 3ifr h PRO 43 Ca -0.06 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 3ifr h PRO 43 Cb 0.96 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.91 3ifr h PRO 43 CO 0.55 0.00 -0.16 -1.01 -0.21 0.00 0.00 178.00 177.17 3ifr s HIS 44 N -3.46 -0.19 0.21 0.65 3.76 -1.26 -5.08 115.29 109.92 3ifr s HIS 44 Ca 0.02 0.09 -0.32 0.00 -0.15 0.00 0.00 55.06 54.70 3ifr s HIS 44 Cb 0.09 0.17 -0.14 0.00 1.11 0.00 0.00 32.58 33.81 3ifr s HIS 44 CO 0.38 -0.56 1.34 -2.30 -0.85 0.00 0.00 174.74 172.75 3ifr n PRO 45 N 0.46 1.74 -0.05 8.40 -0.02 -1.26 -1.08 135.00 143.19 3ifr n PRO 45 Ca -0.18 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3ifr n PRO 45 Cb 0.60 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3ifr n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ifr n GLY 46 N 2.19 2.73 3.81 -1.23 0.00 -1.26 -4.91 105.19 106.51 3ifr n GLY 46 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3ifr n GLY 46 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ifr s TRP 47 N -2.99 3.11 -0.24 1.61 0.52 -0.24 -0.18 118.94 120.52 3ifr s TRP 47 Ca 0.00 1.58 -0.02 0.00 0.02 0.00 0.00 56.10 57.68 3ifr s TRP 47 Cb 0.00 -2.99 0.12 0.00 -1.15 0.00 0.00 33.47 29.46 3ifr s TRP 47 CO 0.00 -0.59 0.30 0.00 0.02 0.00 0.00 176.95 176.68 3ifr s ALA 48 N -2.08 -0.65 0.09 0.98 0.00 -1.25 -4.30 121.76 114.55 3ifr s ALA 48 Ca 0.65 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.95 3ifr s ALA 48 Cb -0.14 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 3ifr s ALA 48 CO 0.18 -1.40 -0.08 -1.21 0.00 0.00 0.00 175.76 173.25 3ifr s GLU 49 N 2.42 0.78 0.20 0.00 2.02 0.44 -0.91 118.70 123.65 3ifr s GLU 49 Ca 0.10 -1.14 -0.03 0.00 0.02 0.00 0.00 54.97 53.92 3ifr s GLU 49 Cb -0.15 -0.38 -0.03 0.00 0.10 0.00 0.00 34.13 33.67 3ifr s GLU 49 CO -0.20 0.04 0.17 -1.21 0.02 0.00 0.00 175.26 174.08 3ifr s GLU 50 N -2.92 1.22 -0.39 1.61 2.02 0.35 -0.97 118.70 119.62 3ifr s GLU 50 Ca 0.05 -1.55 -0.09 0.00 0.02 0.00 0.00 54.97 53.40 3ifr s GLU 50 Cb -0.01 0.30 0.06 0.00 0.10 0.00 0.00 34.13 34.57 3ifr s GLU 50 CO -0.01 -0.41 0.21 0.34 0.02 0.00 0.00 175.26 175.41 3ifr s ASP 51 N -3.13 5.60 0.55 -0.19 -1.08 -1.26 -0.23 116.67 116.93 3ifr s ASP 51 Ca 0.35 -1.29 0.22 0.00 -0.52 0.00 0.00 52.55 51.31 3ifr s ASP 51 Cb 0.06 -1.97 1.48 0.00 -1.46 0.00 0.00 42.92 41.03 3ifr s ASP 51 CO 0.10 -0.45 2.16 -0.65 0.52 0.00 0.00 175.17 176.86 3ifr h PRO 52 N 8.37 0.00 0.00 4.34 0.11 -1.96 0.49 132.00 143.36 3ifr h PRO 52 Ca -0.24 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.84 3ifr h PRO 52 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3ifr h PRO 52 CO 0.70 0.00 -0.19 0.00 -0.21 0.00 0.00 178.00 178.30 3ifr h ALA 53 N 1.96 1.42 -0.17 -0.75 0.00 -1.99 -0.97 119.26 118.75 3ifr h ALA 53 Ca 0.03 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.58 3ifr h ALA 53 Cb 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ifr h ALA 53 CO -0.00 0.24 -0.65 0.37 0.00 0.00 0.00 179.25 179.20 3ifr h GLN 54 N 0.00 0.64 -0.03 0.00 4.15 -0.44 -1.72 115.11 117.71 3ifr h GLN 54 Ca -0.00 -0.46 0.01 0.00 0.77 0.00 0.00 58.65 58.97 3ifr h GLN 54 Cb 0.40 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 3ifr h GLN 54 CO 0.02 1.08 -0.03 -1.49 -1.93 0.00 0.00 178.83 176.48 3ifr h TRP 55 N 0.47 -0.08 -0.36 3.99 6.55 -1.05 0.17 115.95 125.63 3ifr h TRP 55 Ca -0.02 0.00 -0.08 0.00 0.95 0.00 0.00 58.89 59.75 3ifr h TRP 55 Cb 1.24 0.04 -0.02 0.00 -0.86 0.00 0.00 29.16 29.56 3ifr h TRP 55 CO 0.06 -0.06 -0.13 2.35 -1.05 0.00 0.00 178.44 179.62 3ifr h TRP 56 N -0.05 0.69 -0.11 0.49 -0.00 -1.18 0.70 115.95 116.50 3ifr h TRP 56 Ca 0.03 -0.12 -0.23 0.00 -0.00 0.00 0.00 58.89 58.57 3ifr h TRP 56 Cb 0.08 -0.18 0.01 0.00 -0.00 0.00 0.00 29.16 29.07 3ifr h TRP 56 CO -0.12 0.73 -0.84 0.22 -0.00 0.00 0.00 178.44 178.44 3ifr h ASP 57 N 0.58 0.88 -0.47 2.65 3.58 -1.08 0.10 116.42 122.67 3ifr h ASP 57 Ca 0.10 -0.61 0.02 0.00 0.42 0.00 0.00 57.03 56.96 3ifr h ASP 57 Cb 0.56 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 3ifr h ASP 57 CO 0.03 1.41 0.28 0.78 -2.88 0.00 0.00 179.24 178.86 3ifr h ASN 58 N 0.48 0.46 -0.09 2.28 -0.26 -0.36 -2.36 115.58 115.73 3ifr h ASN 58 Ca -0.07 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 55.70 3ifr h ASN 58 Cb 1.47 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 38.60 3ifr h ASN 58 CO 0.17 0.33 -0.05 0.00 -1.06 0.00 0.00 177.43 176.82 3ifr h ALA 59 N 1.20 0.03 -0.26 -0.83 0.00 -0.48 0.96 119.26 119.88 3ifr h ALA 59 Ca 0.19 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3ifr h ALA 59 Cb 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 3ifr h ALA 59 CO -0.08 -0.52 -0.21 0.00 0.00 0.00 0.00 179.25 178.44 3ifr h ARG 60 N -0.05 -0.20 -0.25 0.00 3.08 -0.88 -1.28 114.38 114.80 3ifr h ARG 60 Ca 0.06 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3ifr h ARG 60 Cb 0.13 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3ifr h ARG 60 CO -0.13 -0.13 0.02 0.00 -1.07 0.00 0.00 179.97 178.66 3ifr h ALA 61 N 0.90 0.33 -0.24 0.04 0.00 -0.92 -2.37 119.26 117.00 3ifr h ALA 61 Ca 0.14 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3ifr h ALA 61 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ifr h ALA 61 CO -0.38 0.04 -0.26 -0.39 0.00 0.00 0.00 179.25 178.27 3ifr h VAL 62 N 0.21 1.26 -0.11 0.00 -1.51 -0.60 -0.48 116.25 115.03 3ifr h VAL 62 Ca 0.07 -1.26 -0.02 0.00 -1.23 0.00 0.00 66.70 64.26 3ifr h VAL 62 Cb 0.38 1.36 -0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3ifr h VAL 62 CO 0.01 0.40 0.00 -0.07 -1.23 0.00 0.00 177.57 176.68 3ifr h LEU 63 N 0.41 0.18 -1.18 4.19 3.38 -1.16 -0.65 115.31 120.48 3ifr h LEU 63 Ca 0.06 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.75 3ifr h LEU 63 Cb 0.67 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 3ifr h LEU 63 CO 0.05 0.44 0.56 0.00 0.09 0.00 0.00 178.44 179.58 3ifr h ALA 64 N 0.75 1.44 -0.66 1.53 0.00 -1.18 -1.94 119.26 119.20 3ifr h ALA 64 Ca 0.03 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3ifr h ALA 64 Cb 0.35 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3ifr h ALA 64 CO 0.01 0.50 0.16 1.49 0.00 0.00 0.00 179.25 181.40 3ifr h GLU 65 N 1.09 1.04 -0.89 0.00 4.81 -0.68 0.03 114.58 119.98 3ifr h GLU 65 Ca 0.32 -0.24 0.18 0.00 -0.13 0.00 0.00 59.36 59.49 3ifr h GLU 65 Cb -0.05 -0.14 -0.11 0.00 0.63 0.00 0.00 28.75 29.08 3ifr h GLU 65 CO -0.08 0.92 0.45 -0.07 -0.73 0.00 0.00 179.01 179.50 3ifr h LEU 66 N 0.99 0.50 0.01 1.64 4.07 -0.34 0.14 115.31 122.33 3ifr h LEU 66 Ca 0.21 0.11 -0.19 0.00 0.08 0.00 0.00 57.88 58.10 3ifr h LEU 66 Cb 0.35 0.04 0.02 0.00 1.08 0.00 0.00 40.66 42.15 3ifr h LEU 66 CO 0.00 0.15 -0.73 0.50 -1.08 0.00 0.00 178.44 177.28 3ifr h LYS 67 N 0.57 0.47 -0.86 1.13 3.64 -0.91 -1.17 116.57 119.44 3ifr h LYS 67 Ca 0.52 -0.53 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3ifr h LYS 67 Cb 0.84 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 3ifr h LYS 67 CO -0.42 1.17 0.52 1.15 -2.27 0.00 0.00 179.45 179.60 3ifr h THR 68 N -0.00 1.24 -0.38 1.00 2.02 -0.71 -0.49 112.91 115.59 3ifr h THR 68 Ca -0.10 -0.51 -0.14 0.00 0.77 0.00 0.00 66.41 66.43 3ifr h THR 68 Cb 1.44 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3ifr h THR 68 CO 0.14 0.25 -0.32 0.74 0.37 0.00 0.00 175.52 176.70 3ifr h THR 69 N 1.18 1.28 0.02 3.16 2.02 -0.70 -3.26 112.91 116.61 3ifr h THR 69 Ca 0.31 -1.48 -0.24 0.00 0.77 0.00 0.00 66.41 65.77 3ifr h THR 69 Cb -0.05 1.32 0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3ifr h THR 69 CO -0.06 0.49 -1.01 0.00 0.37 0.00 0.00 175.52 175.32 3ifr h ALA 70 N 0.92 0.27 -0.30 6.16 0.00 -0.91 -3.50 119.26 121.91 3ifr h ALA 70 Ca 0.07 -0.73 0.03 0.00 0.00 0.00 0.00 54.91 54.29 3ifr h ALA 70 Cb 0.88 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3ifr h ALA 70 CO 0.08 0.80 -0.11 0.41 0.00 0.00 0.00 179.25 180.43 3ifr n GLY 71 N 1.05 -2.67 0.27 0.00 0.00 -0.22 -3.46 105.19 100.16 3ifr n GLY 71 Ca -0.08 -1.42 0.14 0.00 0.00 0.00 0.00 46.02 44.66 3ifr n GLY 71 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ifr h GLU 72 N -0.12 0.00 0.00 1.61 5.08 -1.93 -1.90 114.58 117.32 3ifr h GLU 72 Ca -0.02 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 3ifr h GLU 72 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3ifr h GLU 72 CO 0.01 0.11 -0.91 0.66 -1.00 0.00 0.00 179.01 177.88 3ifr h SER 73 N 0.00 0.00 -0.49 1.42 4.64 -1.97 -3.22 113.55 113.93 3ifr h SER 73 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ifr h SER 73 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3ifr h SER 73 CO 0.01 0.89 0.00 0.47 -0.87 0.00 0.00 176.83 177.33 3ifr n ASP 74 N -3.31 4.82 -4.24 4.97 10.43 -0.75 -4.91 116.55 123.56 3ifr n ASP 74 Ca 0.00 -2.79 -0.43 0.00 2.57 0.00 0.00 54.79 54.15 3ifr n ASP 74 Cb 0.90 -0.59 -0.07 0.00 1.84 0.00 0.00 41.12 43.19 3ifr n ASP 74 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3ifr s TRP 75 N -2.46 3.44 -0.38 1.24 -0.11 -0.95 -4.86 118.94 114.85 3ifr s TRP 75 Ca 0.48 -1.85 0.12 0.00 1.22 0.00 0.00 56.10 56.07 3ifr s TRP 75 Cb 0.36 -3.59 0.38 0.00 -1.50 0.00 0.00 33.47 29.12 3ifr s TRP 75 CO 0.16 -0.98 0.95 0.54 -4.62 0.00 0.00 176.95 173.00 3ifr n ARG 76 N 4.69 1.05 -1.82 5.86 5.12 -1.26 -4.97 116.66 125.32 3ifr n ARG 76 Ca -0.04 -2.83 -0.41 0.00 -1.93 0.00 0.00 57.85 52.64 3ifr n ARG 76 Cb 0.41 -1.23 -0.00 0.00 -1.16 0.00 0.00 32.46 30.48 3ifr n ARG 76 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 3ifr s PRO 77 N -1.68 4.13 0.00 5.56 0.02 -1.26 -3.88 135.00 137.88 3ifr s PRO 77 Ca 0.31 2.55 0.11 0.00 0.02 0.00 0.00 61.00 63.98 3ifr s PRO 77 Cb 0.37 -2.98 -0.00 0.00 0.02 0.00 0.00 34.50 31.91 3ifr s PRO 77 CO -0.04 -0.52 0.66 0.41 -0.33 0.00 0.00 177.00 177.18 3ifr n GLY 78 N 0.59 -0.15 3.59 0.52 0.00 0.83 -4.93 105.19 105.64 3ifr n GLY 78 Ca 0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 3ifr n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ifr s GLY 79 N -1.40 -0.31 -0.01 -0.02 0.00 -1.24 -4.30 107.32 100.03 3ifr s GLY 79 Ca 0.09 1.48 -0.03 0.00 0.00 0.00 0.00 44.72 46.26 3ifr s GLY 79 CO 0.26 0.49 0.07 -1.50 0.00 0.00 0.00 173.10 172.42 3ifr s ILE 80 N -2.49 0.05 -0.03 0.90 2.07 -0.90 -1.07 121.20 119.72 3ifr s ILE 80 Ca 0.09 -0.40 0.01 0.00 -1.41 0.00 0.00 60.65 58.95 3ifr s ILE 80 Cb -0.01 -0.23 0.01 0.00 0.13 0.00 0.00 42.46 42.37 3ifr s ILE 80 CO -0.05 -0.22 -0.06 0.00 -1.91 0.00 0.00 174.94 172.71 3ifr s VAL 82 N 0.62 5.33 0.40 0.00 1.01 -1.26 -1.68 120.40 124.81 3ifr s VAL 82 Ca -0.09 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.09 3ifr s VAL 82 Cb -0.12 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 3ifr s VAL 82 CO 0.00 0.45 0.06 0.28 0.00 0.00 0.00 175.10 175.89 3ifr s THR 83 N 0.34 1.16 0.00 3.92 -1.32 0.17 -1.88 115.64 118.03 3ifr s THR 83 Ca 0.07 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.55 3ifr s THR 83 Cb -0.11 -2.59 0.00 0.00 -1.51 0.00 0.00 72.50 68.29 3ifr s THR 83 CO -0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 3ifr n GLY 84 N -0.90 -1.29 0.00 6.08 0.00 -1.19 -0.44 105.19 107.46 3ifr n GLY 84 Ca -0.07 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3ifr n GLY 84 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3ifr n LEU 86 N 0.00 0.00 -4.56 0.99 -0.00 -1.26 -2.60 117.00 109.58 3ifr n LEU 86 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 3ifr n LEU 86 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 3ifr n LEU 86 CO 0.00 0.00 0.63 -2.84 -0.00 0.00 0.00 177.39 175.18 3ifr s PRO 87 N -2.00 3.52 0.53 1.47 0.02 -1.26 -4.76 135.00 132.51 3ifr s PRO 87 Ca 0.00 0.07 -0.16 0.00 0.02 0.00 0.00 61.00 60.93 3ifr s PRO 87 Cb 0.00 -3.91 -0.07 0.00 0.02 0.00 0.00 34.50 30.54 3ifr s PRO 87 CO 0.00 -1.10 0.99 0.00 -0.33 0.00 0.00 177.00 176.56 3ifr s ALA 88 N 3.41 3.07 -0.27 -1.55 0.00 -1.26 -3.82 121.76 121.34 3ifr s ALA 88 Ca 0.33 0.14 -0.04 0.00 0.00 0.00 0.00 51.96 52.39 3ifr s ALA 88 Cb -0.12 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 19.91 3ifr s ALA 88 CO 0.23 -0.31 -0.00 0.08 0.00 0.00 0.00 175.76 175.75 3ifr s VAL 89 N -2.71 3.33 -0.08 0.00 1.01 0.12 -4.08 120.40 117.98 3ifr s VAL 89 Ca 0.58 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.74 3ifr s VAL 89 Cb -0.10 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 3ifr s VAL 89 CO 0.35 0.16 -0.24 -0.69 0.00 0.00 0.00 175.10 174.68 3ifr s VAL 90 N 1.40 2.04 -0.15 2.92 1.01 -0.11 -1.64 120.40 125.88 3ifr s VAL 90 Ca 0.01 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.98 3ifr s VAL 90 Cb -0.17 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.48 3ifr s VAL 90 CO -0.02 0.56 -0.21 -0.76 0.00 0.00 0.00 175.10 174.67 3ifr s LEU 91 N 0.07 2.12 -0.02 3.92 1.43 -1.26 -1.86 118.68 123.08 3ifr s LEU 91 Ca -0.11 -0.61 0.05 0.00 -1.03 0.00 0.00 54.13 52.43 3ifr s LEU 91 Cb -0.16 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 3ifr s LEU 91 CO 0.06 0.06 -0.16 -0.76 0.23 0.00 0.00 176.35 175.79 3ifr s LEU 92 N 0.91 2.67 0.00 1.79 1.43 0.13 -1.44 118.68 124.19 3ifr s LEU 92 Ca -0.04 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 52.72 3ifr s LEU 92 Cb -0.15 -1.55 0.12 0.00 0.03 0.00 0.00 46.19 44.64 3ifr s LEU 92 CO -0.04 0.32 0.74 -0.90 0.23 0.00 0.00 176.35 176.70 3ifr n ASP 93 N 2.10 0.35 -0.10 2.29 3.85 -0.49 0.15 116.55 124.68 3ifr n ASP 93 Ca -0.17 -1.45 -0.02 0.00 -0.71 0.00 0.00 54.79 52.45 3ifr n ASP 93 Cb 0.52 -0.54 -0.01 0.00 -1.35 0.00 0.00 41.12 39.74 3ifr n ASP 93 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3ifr n ASP 94 N -3.31 -0.22 -1.55 -1.12 8.00 -1.26 -0.20 116.55 116.88 3ifr n ASP 94 Ca 0.10 0.45 0.09 0.00 0.71 0.00 0.00 54.79 56.14 3ifr n ASP 94 Cb 0.36 -0.08 0.34 0.00 -0.02 0.00 0.00 41.12 41.72 3ifr n ASP 94 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3ifr n ARG 95 N -4.34 3.68 -1.52 -1.24 0.00 -1.26 -4.92 116.66 107.05 3ifr n ARG 95 Ca 0.01 -2.73 -0.03 0.00 -0.00 0.00 0.00 57.85 55.10 3ifr n ARG 95 Cb 0.08 -1.89 -0.01 0.00 0.00 0.00 0.00 32.46 30.64 3ifr n ARG 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ifr n GLY 96 N 1.08 0.44 3.92 5.14 0.00 0.72 -5.03 105.19 111.45 3ifr n GLY 96 Ca 0.25 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 3ifr n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifr s ALA 97 N -2.12 3.69 -0.10 4.61 0.00 -1.26 -4.81 121.76 121.77 3ifr s ALA 97 Ca 0.00 -0.74 -0.24 0.00 0.00 0.00 0.00 51.96 50.98 3ifr s ALA 97 Cb 0.00 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 3ifr s ALA 97 CO 0.00 0.17 0.76 0.08 0.00 0.00 0.00 175.76 176.76 3ifr s VAL 98 N -2.15 4.98 -0.07 0.00 1.01 -1.26 -1.40 120.40 121.51 3ifr s VAL 98 Ca 0.41 1.54 -0.24 0.00 0.00 0.00 0.00 61.98 63.69 3ifr s VAL 98 Cb -0.10 -4.09 -0.27 0.00 0.00 0.00 0.00 36.38 31.92 3ifr s VAL 98 CO 0.32 0.17 0.92 -0.07 0.00 0.00 0.00 175.10 176.44 3ifr h LEU 99 N 7.31 0.29 -8.79 3.92 3.38 -1.62 -3.48 115.31 116.33 3ifr h LEU 99 Ca -0.37 -0.90 -0.40 0.00 0.09 0.00 0.00 57.88 56.30 3ifr h LEU 99 Cb 1.18 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 41.70 3ifr h LEU 99 CO 0.78 1.17 -0.48 0.00 0.09 0.00 0.00 178.44 180.00 3ifr s ARG 100 N -2.62 1.66 0.55 1.13 1.70 -1.26 -5.08 118.95 115.02 3ifr s ARG 100 Ca -0.15 -1.90 -0.21 0.00 -0.47 0.00 0.00 55.73 53.00 3ifr s ARG 100 Cb 0.00 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.66 3ifr s ARG 100 CO 0.77 -0.61 1.23 -2.14 -1.08 0.00 0.00 175.30 173.47 3ifr s PRO 101 N -3.55 3.23 0.26 3.89 0.02 -1.26 -4.79 135.00 132.80 3ifr s PRO 101 Ca 0.39 1.91 -0.31 0.00 0.02 0.00 0.00 61.00 63.01 3ifr s PRO 101 Cb 0.03 -2.13 -0.13 0.00 0.02 0.00 0.00 34.50 32.29 3ifr s PRO 101 CO 0.24 -1.02 1.45 0.45 -0.33 0.00 0.00 177.00 177.78 3ifr n SER 102 N -1.16 3.04 -4.61 2.53 2.88 0.69 -4.80 113.62 112.19 3ifr n SER 102 Ca 0.11 1.15 -0.38 0.00 -1.33 0.00 0.00 58.87 58.42 3ifr n SER 102 Cb 0.48 -1.47 -0.10 0.00 -0.75 0.00 0.00 64.21 62.37 3ifr n SER 102 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3ifr s ILE 103 N -0.12 5.25 0.73 2.46 1.01 -0.65 -0.49 121.20 129.38 3ifr s ILE 103 Ca 0.66 0.37 -0.12 0.00 0.00 0.00 0.00 60.65 61.57 3ifr s ILE 103 Cb -0.60 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.29 3ifr s ILE 103 CO 0.50 0.22 1.11 -1.10 0.00 0.00 0.00 174.94 175.67 3ifr s GLN 104 N 1.82 2.66 0.49 2.79 -1.52 -0.09 -0.70 119.66 125.11 3ifr s GLN 104 Ca 0.11 0.40 0.28 0.00 -1.95 0.00 0.00 55.36 54.20 3ifr s GLN 104 Cb -0.16 -2.00 1.08 0.00 -0.22 0.00 0.00 33.01 31.71 3ifr s GLN 104 CO 0.10 -1.16 1.88 -0.56 -0.25 0.00 0.00 175.29 175.30 3ifr h GLN 105 N -0.75 0.00 0.00 2.91 -0.00 -1.86 -2.98 115.11 112.43 3ifr h GLN 105 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 3ifr h GLN 105 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 3ifr h GLN 105 CO 0.64 0.11 0.00 0.66 -0.00 0.00 0.00 178.83 180.24 3ifr h SER 106 N 0.00 0.00 -3.53 0.06 4.64 -1.93 -3.46 113.55 109.33 3ifr h SER 106 Ca -0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3ifr h SER 106 Cb 0.66 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 62.92 3ifr h SER 106 CO 0.01 0.00 -0.01 -0.67 -0.87 0.00 0.00 176.83 175.30 3ifr n ASP 107 N -2.64 0.21 -0.11 4.97 2.03 -1.13 -4.90 116.55 114.99 3ifr n ASP 107 Ca 0.01 0.72 0.03 0.00 0.52 0.00 0.00 54.79 56.08 3ifr n ASP 107 Cb 0.26 -1.35 0.05 0.00 -0.72 0.00 0.00 41.12 39.36 3ifr n ASP 107 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ifr n GLY 108 N 1.34 2.19 0.16 0.27 0.00 0.75 -4.87 105.19 105.03 3ifr n GLY 108 Ca 0.13 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.90 3ifr n GLY 108 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3ifr h ARG 109 N 0.00 0.00 -0.89 1.61 0.11 -1.91 -3.35 114.38 109.95 3ifr h ARG 109 Ca 0.00 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.48 3ifr h ARG 109 Cb 0.91 0.00 -0.31 0.00 1.11 0.00 0.00 29.97 31.68 3ifr h ARG 109 CO 0.00 0.00 0.35 0.00 0.10 0.00 0.00 179.97 180.42 3ifr h GLY 111 N 1.89 0.01 0.83 0.00 0.00 -1.98 -2.48 103.07 101.34 3ifr h GLY 111 Ca 0.52 0.29 0.04 0.00 0.00 0.00 0.00 47.33 48.18 3ifr h GLY 111 CO 1.25 -0.20 0.45 -0.55 0.00 0.00 0.00 176.54 177.48 3ifr h ASP 112 N -0.16 0.72 0.51 0.19 3.32 -1.95 -2.09 116.42 116.95 3ifr h ASP 112 Ca 0.19 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 3ifr h ASP 112 Cb 0.46 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3ifr h ASP 112 CO -0.49 0.49 -0.34 1.05 -1.72 0.00 0.00 179.24 178.22 3ifr h GLU 113 N 0.86 0.00 0.49 3.56 9.09 -1.85 -1.17 114.58 125.56 3ifr h GLU 113 Ca 0.30 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.68 3ifr h GLU 113 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 3ifr h GLU 113 CO -0.13 0.34 -0.23 0.28 0.05 0.00 0.00 179.01 179.32 3ifr h VAL 114 N 0.00 0.52 -0.75 -1.06 2.07 -0.94 0.23 116.25 116.32 3ifr h VAL 114 Ca -0.00 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.63 3ifr h VAL 114 Cb 0.69 0.55 -0.11 0.00 -1.52 0.00 0.00 31.29 30.89 3ifr h VAL 114 CO 0.04 0.01 0.18 0.00 0.02 0.00 0.00 177.57 177.83 3ifr h ALA 115 N -0.18 0.98 0.39 1.67 0.00 -1.15 0.74 119.26 121.72 3ifr h ALA 115 Ca -0.07 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ifr h ALA 115 Cb 0.52 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3ifr h ALA 115 CO 0.11 -0.35 -0.45 0.93 0.00 0.00 0.00 179.25 179.49 3ifr h GLU 116 N 0.26 -0.84 -0.54 0.00 3.07 -0.99 0.18 114.58 115.72 3ifr h GLU 116 Ca 0.43 0.06 0.11 0.00 -0.50 0.00 0.00 59.36 59.46 3ifr h GLU 116 Cb 0.75 0.19 -0.11 0.00 -0.84 0.00 0.00 28.75 28.74 3ifr h GLU 116 CO -0.53 -0.56 -0.21 -0.07 -1.40 0.00 0.00 179.01 176.24 3ifr h LEU 117 N -0.87 -0.75 -0.39 1.33 3.38 -0.36 0.16 115.31 117.81 3ifr h LEU 117 Ca -0.04 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3ifr h LEU 117 Cb 0.78 0.42 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3ifr h LEU 117 CO -0.10 -0.24 0.22 0.03 0.09 0.00 0.00 178.44 178.44 3ifr h ARG 118 N -0.08 0.54 0.00 1.13 3.08 0.80 0.07 114.38 119.92 3ifr h ARG 118 Ca 0.25 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3ifr h ARG 118 Cb 0.48 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3ifr h ARG 118 CO -0.60 0.43 -0.06 0.00 -1.07 0.00 0.00 179.97 178.66 3ifr h ALA 119 N 1.08 1.09 0.07 0.04 0.00 -0.28 -3.33 119.26 117.93 3ifr h ALA 119 Ca 0.14 -0.06 -0.37 0.00 0.00 0.00 0.00 54.91 54.62 3ifr h ALA 119 Cb 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3ifr h ALA 119 CO -0.02 0.08 -2.17 -1.91 0.00 0.00 0.00 179.25 175.23 3ifr n GLU 120 N -3.29 0.70 -3.72 0.00 2.13 0.53 -4.97 120.64 112.02 3ifr n GLU 120 Ca -0.01 0.23 -0.22 0.00 0.66 0.00 0.00 57.16 57.82 3ifr n GLU 120 Cb 0.25 -1.63 -0.04 0.00 0.27 0.00 0.00 31.44 30.29 3ifr n GLU 120 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3ifr s VAL 121 N -2.53 2.48 -0.34 6.31 -7.23 -0.08 -5.07 120.40 113.95 3ifr s VAL 121 Ca -0.28 -1.44 -0.24 0.00 -1.81 0.00 0.00 61.98 58.21 3ifr s VAL 121 Cb 0.08 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 34.10 3ifr s VAL 121 CO 0.69 0.00 0.83 -0.62 -0.31 0.00 0.00 175.10 175.69 3ifr s ASP 122 N -4.09 6.65 0.32 4.85 2.15 -1.26 -4.74 116.67 120.55 3ifr s ASP 122 Ca 0.45 0.58 0.10 0.00 0.43 0.00 0.00 52.55 54.12 3ifr s ASP 122 Cb -0.01 -2.42 0.55 0.00 -0.30 0.00 0.00 42.92 40.73 3ifr s ASP 122 CO 0.26 -0.71 1.74 -1.28 -0.17 0.00 0.00 175.17 175.00 3ifr h SER 123 N 8.30 0.07 0.10 -0.34 0.87 -1.91 -1.73 113.55 118.90 3ifr h SER 123 Ca -0.24 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.29 3ifr h SER 123 Cb 1.09 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 3ifr h SER 123 CO 0.92 0.51 -0.05 -0.33 -0.53 0.00 0.00 176.83 177.35 3ifr h GLU 124 N 0.05 -0.12 -1.01 2.24 3.07 -1.98 -2.23 114.58 114.59 3ifr h GLU 124 Ca 0.00 0.01 0.29 0.00 -0.50 0.00 0.00 59.36 59.16 3ifr h GLU 124 Cb 0.82 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.71 3ifr h GLU 124 CO 0.06 0.34 0.79 0.00 -1.40 0.00 0.00 179.01 178.80 3ifr h ALA 125 N -0.40 2.92 0.01 3.43 0.00 -1.95 -0.51 119.26 122.75 3ifr h ALA 125 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ifr h ALA 125 Cb 0.52 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3ifr h ALA 125 CO 0.02 -1.31 -0.06 0.35 0.00 0.00 0.00 179.25 178.26 3ifr h PHE 126 N 0.00 0.04 -0.92 0.00 3.04 -1.27 -0.38 116.94 117.45 3ifr h PHE 126 Ca 0.48 -0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.53 3ifr h PHE 126 Cb 2.05 -0.00 -0.07 0.00 2.56 0.00 0.00 35.95 40.48 3ifr h PHE 126 CO 0.00 0.95 0.59 1.25 -2.02 0.00 0.00 178.31 179.08 3ifr h LEU 127 N -0.87 0.77 0.25 0.59 5.85 -0.58 0.43 115.31 121.75 3ifr h LEU 127 Ca -0.01 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3ifr h LEU 127 Cb 0.97 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3ifr h LEU 127 CO 0.01 0.41 -0.12 0.00 -0.34 0.00 0.00 178.44 178.40 3ifr h ALA 128 N 1.57 -0.34 -0.72 1.25 0.00 -1.10 0.73 119.26 120.65 3ifr h ALA 128 Ca 0.45 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.27 3ifr h ALA 128 Cb 0.57 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 3ifr h ALA 128 CO -0.21 -0.53 0.38 -0.09 0.00 0.00 0.00 179.25 178.80 3ifr h ARG 129 N -0.67 0.63 0.00 0.00 2.43 -0.48 -3.31 114.38 112.98 3ifr h ARG 129 Ca -0.03 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3ifr h ARG 129 Cb 0.47 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3ifr h ARG 129 CO 0.06 0.42 -1.86 2.41 -1.51 0.00 0.00 179.97 179.48 3ifr n THR 130 N -4.83 0.13 -0.41 0.20 -1.04 0.15 -0.81 114.28 107.67 3ifr n THR 130 Ca 0.11 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 3ifr n THR 130 Cb 0.26 0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 3ifr n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ifr n GLY 131 N 1.54 1.65 3.10 3.41 0.00 0.25 -4.75 105.19 110.40 3ifr n GLY 131 Ca -0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 3ifr n GLY 131 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ifr s ASN 132 N -3.22 1.43 0.79 1.61 0.01 -1.23 -2.45 114.94 111.88 3ifr s ASN 132 Ca 0.00 -0.40 -0.12 0.00 -0.71 0.00 0.00 52.86 51.64 3ifr s ASN 132 Cb 0.00 -0.09 0.07 0.00 0.41 0.00 0.00 41.25 41.64 3ifr s ASN 132 CO 0.00 0.03 1.12 -0.83 -1.51 0.00 0.00 177.10 175.91 3ifr s GLY 133 N -0.96 1.83 -0.74 0.66 0.00 -1.26 -3.92 107.32 102.92 3ifr s GLY 133 Ca 0.01 0.48 -0.26 0.00 0.00 0.00 0.00 44.72 44.94 3ifr s GLY 133 CO 0.01 0.85 1.56 0.14 0.00 0.00 0.00 173.10 175.66 3ifr s VAL 134 N -2.64 3.59 0.22 1.40 1.01 -1.26 -4.76 120.40 117.97 3ifr s VAL 134 Ca 0.65 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.70 3ifr s VAL 134 Cb -0.21 -4.52 -0.02 0.00 0.00 0.00 0.00 36.38 31.63 3ifr s VAL 134 CO 0.53 -1.47 0.29 0.42 0.00 0.00 0.00 175.10 174.88 3ifr s THR 135 N 7.18 0.00 0.65 3.92 -4.23 -1.26 -4.97 115.64 116.93 3ifr s THR 135 Ca 0.50 -1.73 0.36 0.00 -1.18 0.00 0.00 61.69 59.64 3ifr s THR 135 Cb -0.09 -2.37 0.38 0.00 1.34 0.00 0.00 72.50 71.76 3ifr s THR 135 CO 0.13 0.00 2.16 1.56 -0.54 0.00 0.00 174.62 177.93 3ifr h GLN 136 N 2.45 0.00 0.00 3.99 4.20 -1.92 -1.92 115.11 121.91 3ifr h GLN 136 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 3ifr h GLN 136 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 3ifr h GLN 136 CO 0.45 0.00 0.00 0.37 -0.67 0.00 0.00 178.83 178.98 3ifr h GLN 137 N 0.00 0.00 -6.87 1.46 4.15 -1.92 -3.41 115.11 108.52 3ifr h GLN 137 Ca 0.02 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.90 3ifr h GLN 137 Cb 0.33 0.00 0.09 0.00 0.21 0.00 0.00 27.48 28.11 3ifr h GLN 137 CO -0.00 0.00 0.79 -0.51 -1.93 0.00 0.00 178.83 177.18 3ifr s LEU 138 N -5.11 4.35 0.24 -2.39 1.43 -0.72 -4.73 118.68 111.74 3ifr s LEU 138 Ca 0.08 2.93 -0.04 0.00 -1.03 0.00 0.00 54.13 56.06 3ifr s LEU 138 Cb 0.10 -3.65 0.26 0.00 0.03 0.00 0.00 46.19 42.92 3ifr s LEU 138 CO 0.58 -0.82 1.74 0.58 0.23 0.00 0.00 176.35 178.66 3ifr h VAL 139 N 3.18 1.25 -0.74 -1.59 2.07 -1.21 -1.78 116.25 117.43 3ifr h VAL 139 Ca -0.49 -0.99 0.17 0.00 0.82 0.00 0.00 66.70 66.21 3ifr h VAL 139 Cb 1.23 0.74 -0.12 0.00 -1.52 0.00 0.00 31.29 31.62 3ifr h VAL 139 CO 0.71 0.36 0.09 0.74 0.02 0.00 0.00 177.57 179.49 3ifr h THR 140 N 0.87 0.42 -0.34 2.57 2.02 -1.89 0.69 112.91 117.25 3ifr h THR 140 Ca 0.17 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 3ifr h THR 140 Cb 0.42 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3ifr h THR 140 CO 0.01 0.03 0.19 0.00 0.37 0.00 0.00 175.52 176.12 3ifr h ALA 141 N 1.66 0.44 -0.60 6.16 0.00 -1.61 -1.90 119.26 123.41 3ifr h ALA 141 Ca 0.42 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 3ifr h ALA 141 Cb 0.73 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3ifr h ALA 141 CO -0.59 -0.03 0.08 0.87 0.00 0.00 0.00 179.25 179.58 3ifr h LYS 142 N 0.43 0.98 -0.37 0.00 1.57 -0.96 -2.07 116.57 116.14 3ifr h LYS 142 Ca 0.12 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3ifr h LYS 142 Cb 0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3ifr h LYS 142 CO -0.02 0.91 0.13 -0.07 -0.57 0.00 0.00 179.45 179.83 3ifr h LEU 143 N 0.92 0.53 -1.39 2.94 3.38 -0.76 -2.58 115.31 118.36 3ifr h LEU 143 Ca 0.18 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3ifr h LEU 143 Cb 0.42 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3ifr h LEU 143 CO 0.01 0.58 -0.30 0.03 0.09 0.00 0.00 178.44 178.85 3ifr h ARG 144 N 0.45 0.00 -0.58 1.13 3.08 -1.14 -0.21 114.38 117.11 3ifr h ARG 144 Ca 0.12 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3ifr h ARG 144 Cb 0.23 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3ifr h ARG 144 CO -0.01 0.30 0.25 2.35 -1.07 0.00 0.00 179.97 181.79 3ifr h TRP 145 N 0.00 0.87 -0.10 3.04 7.01 -1.16 -2.42 115.95 123.19 3ifr h TRP 145 Ca -0.00 -0.06 -0.12 0.00 2.11 0.00 0.00 58.89 60.82 3ifr h TRP 145 Cb 0.59 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 3ifr h TRP 145 CO 0.00 0.69 -0.49 0.82 -2.79 0.00 0.00 178.44 176.67 3ifr h ILE 146 N 0.80 1.34 -0.39 2.65 2.04 -0.82 0.81 117.51 123.93 3ifr h ILE 146 Ca 0.20 -1.71 -0.06 0.00 1.00 0.00 0.00 64.86 64.28 3ifr h ILE 146 Cb 0.17 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3ifr h ILE 146 CO -0.02 0.51 -0.00 -0.08 0.00 0.00 0.00 178.15 178.56 3ifr h GLU 147 N 0.20 0.69 -0.22 2.37 4.81 -0.97 0.26 114.58 121.72 3ifr h GLU 147 Ca 0.01 -0.22 -0.14 0.00 -0.13 0.00 0.00 59.36 58.88 3ifr h GLU 147 Cb 0.94 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3ifr h GLU 147 CO 0.08 0.79 -0.39 -0.09 -0.73 0.00 0.00 179.01 178.66 3ifr h ARG 148 N 0.52 0.66 0.00 1.92 2.43 -1.16 -3.27 114.38 115.48 3ifr h ARG 148 Ca 0.11 -0.41 -0.04 0.00 -0.81 0.00 0.00 59.98 58.83 3ifr h ARG 148 Cb 0.47 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3ifr h ARG 148 CO 0.02 1.03 -1.73 0.72 -1.51 0.00 0.00 179.97 178.49 3ifr n HIS 149 N -4.23 0.31 -3.07 2.20 8.25 0.25 -4.56 115.22 114.37 3ifr n HIS 149 Ca -0.05 0.09 -0.16 0.00 -0.26 0.00 0.00 57.72 57.34 3ifr n HIS 149 Cb 0.53 -0.69 -0.01 0.00 1.12 0.00 0.00 29.99 30.94 3ifr n HIS 149 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3ifr n GLU 150 N -2.44 1.00 -0.19 -0.41 1.02 0.89 -4.98 120.64 115.53 3ifr n GLU 150 Ca -0.05 -3.23 0.21 0.00 -0.02 0.00 0.00 57.16 54.07 3ifr n GLU 150 Cb 0.62 -1.57 0.58 0.00 -0.02 0.00 0.00 31.44 31.06 3ifr n GLU 150 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3ifr h PRO 151 N 2.99 0.26 -0.09 3.49 0.11 -1.57 -0.64 132.00 136.54 3ifr h PRO 151 Ca 0.05 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 3ifr h PRO 151 Cb 1.01 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 3ifr h PRO 151 CO 0.46 0.17 0.05 0.00 -0.21 0.00 0.00 178.00 178.47 3ifr h ALA 152 N 1.61 0.12 -0.17 -0.75 0.00 -1.91 0.14 119.26 118.30 3ifr h ALA 152 Ca 0.42 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.29 3ifr h ALA 152 Cb 1.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3ifr h ALA 152 CO -0.11 -0.35 0.09 0.28 0.00 0.00 0.00 179.25 179.17 3ifr h VAL 153 N 0.06 1.02 -0.69 0.00 2.07 -1.50 -2.87 116.25 114.32 3ifr h VAL 153 Ca 0.03 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.57 3ifr h VAL 153 Cb 0.07 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 3ifr h VAL 153 CO -0.01 0.04 0.36 0.15 0.02 0.00 0.00 177.57 178.13 3ifr h PHE 154 N 0.20 0.64 0.00 1.57 3.57 -1.02 -1.53 116.94 120.37 3ifr h PHE 154 Ca 0.06 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 3ifr h PHE 154 Cb -0.00 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3ifr h PHE 154 CO -0.08 0.26 -0.21 0.78 -2.23 0.00 0.00 178.31 176.83 3ifr h GLY 155 N 0.62 0.00 -0.10 2.40 0.00 -0.65 -2.57 103.07 102.78 3ifr h GLY 155 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3ifr h GLY 155 CO -0.24 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.30 3ifr n ALA 156 N -2.42 2.58 -2.26 3.60 0.00 -0.59 -4.90 120.51 116.52 3ifr n ALA 156 Ca -0.02 -0.35 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 3ifr n ALA 156 Cb 0.29 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 3ifr n ALA 156 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ifr s ILE 157 N -1.93 3.96 -0.07 0.00 1.01 -0.97 -4.01 121.20 119.20 3ifr s ILE 157 Ca 0.35 1.14 0.11 0.00 0.00 0.00 0.00 60.65 62.25 3ifr s ILE 157 Cb 0.18 -3.84 -0.17 0.00 0.01 0.00 0.00 42.46 38.65 3ifr s ILE 157 CO 0.29 -0.21 0.15 0.00 0.00 0.00 0.00 174.94 175.16 3ifr n ALA 158 N 7.33 2.07 -3.64 9.38 0.00 0.12 -4.95 120.51 130.83 3ifr n ALA 158 Ca 0.16 -0.55 -0.12 0.00 0.00 0.00 0.00 53.44 52.94 3ifr n ALA 158 Cb 0.45 -0.20 -0.12 0.00 0.00 0.00 0.00 19.45 19.58 3ifr n ALA 158 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ifr s THR 159 N -2.56 -0.03 -0.05 0.00 2.01 0.10 -4.32 115.64 110.79 3ifr s THR 159 Ca -0.05 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.11 3ifr s THR 159 Cb 0.06 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 3ifr s THR 159 CO 0.50 0.04 -0.21 0.54 -0.69 0.00 0.00 174.62 174.80 3ifr s VAL 160 N 1.14 2.43 0.34 3.82 0.11 -0.62 0.22 120.40 127.85 3ifr s VAL 160 Ca -0.08 -0.94 -0.18 0.00 -2.93 0.00 0.00 61.98 57.85 3ifr s VAL 160 Cb -0.08 -1.91 0.05 0.00 -1.53 0.00 0.00 36.38 32.91 3ifr s VAL 160 CO -0.09 0.58 0.80 0.00 -3.33 0.00 0.00 175.10 173.06 3ifr n GLY 162 N -0.53 1.18 0.11 0.00 0.00 -1.26 -0.93 105.19 103.76 3ifr n GLY 162 Ca -0.07 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 43.81 3ifr n GLY 162 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ifr h SER 163 N -0.18 -0.13 0.52 1.61 4.64 -1.96 -1.71 113.55 116.33 3ifr h SER 163 Ca -0.17 -0.30 -0.06 0.00 -0.47 0.00 0.00 61.79 60.78 3ifr h SER 163 Cb 0.68 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 3ifr h SER 163 CO 0.20 0.47 -0.31 0.10 -0.87 0.00 0.00 176.83 176.43 3ifr h TYR 164 N -0.97 0.00 -0.69 4.77 -0.00 -1.90 -2.43 116.97 115.75 3ifr h TYR 164 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 58.73 58.76 3ifr h TYR 164 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.10 3ifr h TYR 164 CO 0.08 0.31 0.41 -0.44 -0.00 0.00 0.00 178.16 178.51 3ifr h ASP 165 N 0.00 0.63 -0.20 0.10 3.32 -1.91 -1.03 116.42 117.33 3ifr h ASP 165 Ca -0.00 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3ifr h ASP 165 Cb 0.65 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3ifr h ASP 165 CO 0.04 0.42 0.12 0.22 -1.72 0.00 0.00 179.24 178.33 3ifr h TYR 166 N 0.77 0.26 -0.89 4.55 3.20 -0.83 -2.71 116.97 121.31 3ifr h TYR 166 Ca 0.29 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 3ifr h TYR 166 Cb 0.12 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 3ifr h TYR 166 CO -0.06 0.20 0.56 0.82 -1.64 0.00 0.00 178.16 178.03 3ifr h ILE 167 N 0.25 1.24 0.00 1.81 1.08 -1.34 -1.04 117.51 119.51 3ifr h ILE 167 Ca 0.07 -0.50 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 3ifr h ILE 167 Cb 0.01 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 33.72 3ifr h ILE 167 CO -0.01 0.25 0.00 0.59 -0.69 0.00 0.00 178.15 178.28 3ifr n ASN 168 N -4.37 0.22 0.00 1.72 3.02 -0.40 -0.90 115.26 114.54 3ifr n ASN 168 Ca 0.10 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 3ifr n ASN 168 Cb 0.05 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3ifr n ASN 168 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ifr n LEU 170 N 0.81 0.00 0.04 3.41 4.32 -0.39 -0.75 117.00 124.43 3ifr n LEU 170 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.77 3ifr n LEU 170 Cb 0.04 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 41.70 3ifr n LEU 170 CO 0.00 0.00 -0.38 -0.07 -1.22 0.00 0.00 177.39 175.72 3ifr h LEU 171 N 0.00 0.48 0.00 2.23 3.38 -1.29 -3.42 115.31 116.69 3ifr h LEU 171 Ca 0.00 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.08 3ifr h LEU 171 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3ifr h LEU 171 CO 0.00 1.64 -1.72 0.35 0.09 0.00 0.00 178.44 178.80 3ifr n THR 172 N -3.85 0.00 -0.98 0.22 -2.24 0.07 -1.35 114.28 106.15 3ifr n THR 172 Ca -0.23 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3ifr n THR 172 Cb 0.95 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 3ifr n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ifr n GLY 173 N 1.48 0.37 3.91 3.38 0.00 -1.26 -4.62 105.19 108.45 3ifr n GLY 173 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 3ifr n GLY 173 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ifr s GLU 174 N -0.65 3.62 -0.56 1.61 0.41 -1.26 -5.06 118.70 116.81 3ifr s GLU 174 Ca 0.00 -0.01 0.04 0.00 -0.41 0.00 0.00 54.97 54.59 3ifr s GLU 174 Cb 0.00 -2.64 0.14 0.00 -1.78 0.00 0.00 34.13 29.85 3ifr s GLU 174 CO 0.00 0.20 0.31 0.50 -0.49 0.00 0.00 175.26 175.78 3ifr s ARG 175 N -3.64 2.07 0.18 1.61 3.52 -1.26 -4.85 118.95 116.58 3ifr s ARG 175 Ca 0.44 -2.78 0.02 0.00 -0.13 0.00 0.00 55.73 53.28 3ifr s ARG 175 Cb -0.11 -3.30 -0.05 0.00 -1.56 0.00 0.00 34.95 29.94 3ifr s ARG 175 CO 0.31 -1.15 0.01 0.14 -0.81 0.00 0.00 175.30 173.80 3ifr s VAL 176 N -0.55 0.64 0.20 7.11 -7.23 -1.26 -4.33 120.40 114.97 3ifr s VAL 176 Ca 0.19 -1.98 0.09 0.00 -1.81 0.00 0.00 61.98 58.47 3ifr s VAL 176 Cb -0.21 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 3ifr s VAL 176 CO -0.04 -0.42 -0.19 0.68 -0.31 0.00 0.00 175.10 174.82 3ifr s VAL 177 N -3.69 2.01 0.34 1.32 -7.23 -0.80 -4.91 120.40 107.44 3ifr s VAL 177 Ca 0.25 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 58.05 3ifr s VAL 177 Cb 0.06 -2.01 -0.11 0.00 0.56 0.00 0.00 36.38 34.88 3ifr s VAL 177 CO 0.05 -0.36 1.47 -0.62 -0.31 0.00 0.00 175.10 175.33 3ifr s ASP 178 N -2.97 6.45 0.44 4.85 2.15 -1.26 -1.16 116.67 125.17 3ifr s ASP 178 Ca 0.21 2.94 0.14 0.00 0.43 0.00 0.00 52.55 56.27 3ifr s ASP 178 Cb -0.05 -2.66 1.05 0.00 -0.30 0.00 0.00 42.92 40.97 3ifr s ASP 178 CO 0.09 -0.80 1.98 0.03 -0.17 0.00 0.00 175.17 176.29 3ifr h ARG 179 N 3.56 0.38 -0.39 4.34 3.08 -1.69 -1.86 114.38 121.79 3ifr h ARG 179 Ca -0.49 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.43 3ifr h ARG 179 Cb 1.23 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 3ifr h ARG 179 CO 0.68 0.25 -0.14 -0.91 -1.07 0.00 0.00 179.97 178.78 3ifr h ASN 180 N 0.39 0.80 0.41 7.04 2.35 -1.91 0.76 115.58 125.41 3ifr h ASN 180 Ca 0.28 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3ifr h ASN 180 Cb 0.59 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 3ifr h ASN 180 CO -0.08 1.00 -0.39 -0.25 -1.65 0.00 0.00 177.43 176.07 3ifr h TRP 181 N 0.59 -1.06 -0.83 1.19 7.01 -1.75 0.58 115.95 121.67 3ifr h TRP 181 Ca 0.09 0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.23 3ifr h TRP 181 Cb 0.68 0.41 -0.06 0.00 -2.10 0.00 0.00 29.16 28.09 3ifr h TRP 181 CO 0.05 -0.55 0.54 0.00 -2.79 0.00 0.00 178.44 175.70 3ifr h ALA 182 N -0.44 1.89 0.18 2.65 0.00 -1.23 0.19 119.26 122.51 3ifr h ALA 182 Ca -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ifr h ALA 182 Cb 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ifr h ALA 182 CO -0.05 -0.10 -0.08 1.25 0.00 0.00 0.00 179.25 180.26 3ifr h LEU 183 N 0.62 -0.20 -1.68 0.00 5.85 0.17 -0.03 115.31 120.05 3ifr h LEU 183 Ca 0.40 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3ifr h LEU 183 Cb 0.68 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3ifr h LEU 183 CO -0.16 0.31 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.73 3ifr h GLU 184 N -0.80 0.00 0.00 1.25 5.08 -0.87 -2.71 114.58 116.53 3ifr h GLU 184 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3ifr h GLU 184 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3ifr h GLU 184 CO 0.04 0.18 -0.11 0.78 -1.00 0.00 0.00 179.01 178.91 3ifr h GLY 185 N 1.01 0.00 0.00 -3.84 0.00 -0.45 -3.40 103.07 96.38 3ifr h GLY 185 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ifr h GLY 185 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 3ifr n GLY 186 N 0.24 1.18 0.00 4.60 0.00 -0.86 -0.81 105.19 109.54 3ifr n GLY 186 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3ifr n GLY 186 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ifr n PHE 187 N -1.05 0.00 -3.97 1.61 3.72 -0.08 -4.76 117.46 112.93 3ifr n PHE 187 Ca 0.00 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.05 3ifr n PHE 187 Cb 0.00 -0.23 -0.10 0.00 -0.94 0.00 0.00 39.48 38.21 3ifr n PHE 187 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3ifr s ILE 188 N -3.04 4.80 -0.17 4.37 1.01 -1.20 -1.32 121.20 125.64 3ifr s ILE 188 Ca -0.01 -0.03 -0.28 0.00 0.00 0.00 0.00 60.65 60.34 3ifr s ILE 188 Cb 0.13 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 3ifr s ILE 188 CO 0.77 0.45 0.95 -0.62 0.00 0.00 0.00 174.94 176.48 3ifr s ASP 189 N 0.47 7.08 0.42 3.58 -1.08 -1.04 -4.52 116.67 121.58 3ifr s ASP 189 Ca 0.03 1.34 0.08 0.00 -0.52 0.00 0.00 52.55 53.48 3ifr s ASP 189 Cb -0.13 -2.51 0.90 0.00 -1.46 0.00 0.00 42.92 39.72 3ifr s ASP 189 CO 0.01 -0.50 2.06 0.25 0.52 0.00 0.00 175.17 177.51 3ifr h LEU 190 N 8.60 0.41 -0.99 -1.34 5.85 -1.27 -1.28 115.31 125.30 3ifr h LEU 190 Ca -0.26 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 3ifr h LEU 190 Cb 1.11 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3ifr h LEU 190 CO 0.89 0.31 -0.26 0.00 -0.34 0.00 0.00 178.44 179.04 3ifr h ALA 191 N 1.76 1.15 0.00 1.25 0.00 -1.93 -3.23 119.26 118.26 3ifr h ALA 191 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ifr h ALA 191 Cb -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ifr h ALA 191 CO -0.03 0.54 -1.76 -1.13 0.00 0.00 0.00 179.25 176.88 3ifr n SER 192 N -4.12 0.21 -1.40 0.00 3.41 -0.89 -4.96 113.62 105.87 3ifr n SER 192 Ca -0.01 -0.08 -0.18 0.00 -0.26 0.00 0.00 58.87 58.35 3ifr n SER 192 Cb 0.40 1.69 -0.08 0.00 -0.26 0.00 0.00 64.21 65.96 3ifr n SER 192 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ifr n GLY 193 N 1.28 1.75 3.31 5.00 0.00 -0.53 -5.01 105.19 110.99 3ifr n GLY 193 Ca -0.03 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 3ifr n GLY 193 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ifr s THR 194 N -2.68 1.00 0.05 2.61 -4.23 -1.25 -4.97 115.64 106.18 3ifr s THR 194 Ca 0.00 -2.03 -0.31 0.00 -1.18 0.00 0.00 61.69 58.17 3ifr s THR 194 Cb 0.00 -2.26 -0.08 0.00 1.34 0.00 0.00 72.50 71.50 3ifr s THR 194 CO 0.00 -0.39 1.63 -0.69 -0.54 0.00 0.00 174.62 174.63 3ifr s VAL 195 N -3.44 3.16 -0.09 2.29 1.01 -1.26 -2.51 120.40 119.56 3ifr s VAL 195 Ca 0.27 0.57 -0.02 0.00 0.00 0.00 0.00 61.98 62.80 3ifr s VAL 195 Cb 0.05 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3ifr s VAL 195 CO 0.07 -0.01 -0.01 -1.61 0.00 0.00 0.00 175.10 173.54 3ifr s GLU 196 N 2.75 3.01 0.13 2.72 0.41 -0.43 -4.95 118.70 122.33 3ifr s GLU 196 Ca 0.73 -0.44 -0.16 0.00 -0.41 0.00 0.00 54.97 54.69 3ifr s GLU 196 Cb -0.38 -2.77 -0.02 0.00 -1.78 0.00 0.00 34.13 29.18 3ifr s GLU 196 CO 0.31 0.66 1.67 0.00 -0.49 0.00 0.00 175.26 177.41 3ifr h ALA 197 N 5.31 0.49 -0.96 5.21 0.00 -1.94 -1.65 119.26 125.72 3ifr h ALA 197 Ca -0.49 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.39 3ifr h ALA 197 Cb 1.19 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 3ifr h ALA 197 CO 0.55 0.09 0.61 0.38 0.00 0.00 0.00 179.25 180.89 3ifr h ASP 198 N 0.46 0.88 0.43 0.00 -0.00 -1.97 0.21 116.42 116.42 3ifr h ASP 198 Ca 0.12 0.04 -0.14 0.00 -0.00 0.00 0.00 57.03 57.06 3ifr h ASP 198 Cb 0.20 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.37 3ifr h ASP 198 CO -0.01 0.49 -0.58 -0.07 -0.00 0.00 0.00 179.24 179.06 3ifr h LEU 199 N 0.95 0.18 0.25 0.15 3.38 -1.69 -1.29 115.31 117.23 3ifr h LEU 199 Ca 0.46 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 3ifr h LEU 199 Cb 0.47 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ifr h LEU 199 CO -0.23 0.72 -0.12 0.58 0.09 0.00 0.00 178.44 179.48 3ifr h VAL 200 N 0.12 0.80 -0.89 1.22 2.07 -0.58 -3.06 116.25 115.93 3ifr h VAL 200 Ca -0.00 -0.59 0.25 0.00 0.82 0.00 0.00 66.70 67.18 3ifr h VAL 200 Cb 1.06 1.12 -0.17 0.00 -1.52 0.00 0.00 31.29 31.79 3ifr h VAL 200 CO 0.09 0.12 0.04 0.00 0.02 0.00 0.00 177.57 177.84 3ifr n ALA 201 N -2.42 0.48 -0.32 1.67 0.00 0.66 0.40 120.51 120.97 3ifr n ALA 201 Ca -0.09 0.95 0.28 0.00 0.00 0.00 0.00 53.44 54.58 3ifr n ALA 201 Cb 0.24 -0.70 0.61 0.00 0.00 0.00 0.00 19.45 19.60 3ifr n ALA 201 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ifr h LEU 202 N 0.00 0.26 -0.44 0.00 3.38 -1.13 0.45 115.31 117.83 3ifr h LEU 202 Ca 0.55 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.57 3ifr h LEU 202 Cb 1.15 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3ifr h LEU 202 CO -0.83 0.04 -0.04 0.00 0.09 0.00 0.00 178.44 177.70 3ifr n ALA 203 N -2.59 2.69 -1.89 1.53 0.00 0.16 -4.91 120.51 115.50 3ifr n ALA 203 Ca 0.26 -0.32 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 3ifr n ALA 203 Cb 1.04 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 3ifr n ALA 203 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ifr n HIS 204 N -0.54 -0.37 -4.22 0.00 8.25 0.16 -4.55 115.22 113.95 3ifr n HIS 204 Ca 0.19 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.42 3ifr n HIS 204 Cb 0.26 -2.79 -0.06 0.00 1.12 0.00 0.00 29.99 28.52 3ifr n HIS 204 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3ifr s ILE 205 N -2.62 3.66 0.53 1.59 -4.36 -1.26 -5.07 121.20 113.67 3ifr s ILE 205 Ca 0.00 -1.74 -0.20 0.00 -0.26 0.00 0.00 60.65 58.44 3ifr s ILE 205 Cb 0.00 -3.01 -0.06 0.00 1.25 0.00 0.00 42.46 40.64 3ifr s ILE 205 CO 0.00 -0.34 1.15 -2.84 0.24 0.00 0.00 174.94 173.15 3ifr s PRO 206 N -3.74 3.40 0.44 0.37 0.02 -1.26 -4.22 135.00 130.00 3ifr s PRO 206 Ca 0.33 1.69 0.17 0.00 0.02 0.00 0.00 61.00 63.20 3ifr s PRO 206 Cb -0.06 -2.09 1.09 0.00 0.02 0.00 0.00 34.50 33.46 3ifr s PRO 206 CO 0.22 -0.83 1.92 -1.35 -0.33 0.00 0.00 177.00 176.62 3ifr h PRO 207 N 1.36 0.36 0.00 5.54 0.11 -1.92 0.11 132.00 137.55 3ifr h PRO 207 Ca -0.50 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3ifr h PRO 207 Cb 1.26 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ifr h PRO 207 CO 0.57 0.24 -0.03 0.66 -0.21 0.00 0.00 178.00 179.23 3ifr h SER 208 N 0.38 0.00 0.40 -2.05 4.64 -1.95 -1.51 113.55 113.45 3ifr h SER 208 Ca 0.37 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.63 3ifr h SER 208 Cb 0.91 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 3ifr h SER 208 CO -0.11 0.03 -0.32 0.00 -0.87 0.00 0.00 176.83 175.56 3ifr h ALA 209 N 1.97 1.37 -2.54 5.18 0.00 -0.97 -3.40 119.26 120.87 3ifr h ALA 209 Ca -0.00 -0.29 -0.64 0.00 0.00 0.00 0.00 54.91 53.99 3ifr h ALA 209 Cb 0.15 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 17.74 3ifr h ALA 209 CO 0.00 0.39 -0.09 0.08 0.00 0.00 0.00 179.25 179.64 3ifr s VAL 210 N -4.19 5.07 0.67 0.00 1.01 -0.57 -1.59 120.40 120.80 3ifr s VAL 210 Ca -0.03 0.49 -0.17 0.00 0.00 0.00 0.00 61.98 62.28 3ifr s VAL 210 Cb 0.14 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.65 3ifr s VAL 210 CO 0.70 -0.07 1.21 -2.84 0.00 0.00 0.00 175.10 174.10 3ifr s PRO 211 N 2.29 2.51 0.39 2.72 0.02 -1.26 -4.94 135.00 136.73 3ifr s PRO 211 Ca 0.18 1.79 -0.25 0.00 0.02 0.00 0.00 61.00 62.74 3ifr s PRO 211 Cb -0.16 -1.87 -0.11 0.00 0.02 0.00 0.00 34.50 32.38 3ifr s PRO 211 CO 0.12 -1.56 1.10 -2.30 -0.33 0.00 0.00 177.00 174.03 3ifr n PRO 212 N -2.24 1.57 -2.26 5.54 -0.02 -1.26 -4.26 135.00 132.07 3ifr n PRO 212 Ca 0.14 0.56 -0.32 0.00 -2.02 0.00 0.00 63.50 61.85 3ifr n PRO 212 Cb 0.50 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 3ifr n PRO 212 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ifr s ALA 213 N -1.21 2.95 -0.04 3.55 0.00 -1.26 -1.91 121.76 123.84 3ifr s ALA 213 Ca 0.61 0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.80 3ifr s ALA 213 Cb -0.57 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.41 3ifr s ALA 213 CO 0.58 -0.45 0.10 -1.58 0.00 0.00 0.00 175.76 174.41 3ifr s HIS 214 N -2.56 -0.10 0.11 0.00 5.04 -0.31 -4.85 115.29 112.61 3ifr s HIS 214 Ca 0.61 0.29 -0.28 0.00 -1.54 0.00 0.00 55.06 54.13 3ifr s HIS 214 Cb -0.12 -0.02 -0.06 0.00 0.04 0.00 0.00 32.58 32.42 3ifr s HIS 214 CO 0.33 -0.08 0.90 -1.25 -2.34 0.00 0.00 174.74 172.31 3ifr s PRO 215 N 0.41 4.65 0.23 2.88 0.05 -1.26 -1.82 135.00 140.14 3ifr s PRO 215 Ca -0.03 1.34 -0.08 0.00 0.05 0.00 0.00 61.00 62.28 3ifr s PRO 215 Cb -0.04 -3.36 0.38 0.00 0.05 0.00 0.00 34.50 31.53 3ifr s PRO 215 CO -0.02 0.27 1.66 1.15 0.05 0.00 0.00 177.00 180.12 3ifr h THR 216 N 3.95 0.45 0.00 1.26 2.02 -1.84 -2.34 112.91 116.41 3ifr h THR 216 Ca -0.43 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3ifr h THR 216 Cb 1.21 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3ifr h THR 216 CO 0.71 0.03 0.00 1.12 0.37 0.00 0.00 175.52 177.75 3ifr h HIS 217 N 0.15 0.00 -4.06 3.16 2.07 -1.86 -0.56 115.15 114.05 3ifr h HIS 217 Ca 0.37 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.40 3ifr h HIS 217 Cb 0.63 0.00 0.04 0.00 2.57 0.00 0.00 27.41 30.65 3ifr h HIS 217 CO -0.36 0.00 0.30 1.03 -3.07 0.00 0.00 177.93 175.84 3ifr s ARG 218 N -3.57 3.66 0.16 5.12 0.52 -0.88 -4.81 118.95 119.15 3ifr s ARG 218 Ca 0.02 0.61 -0.30 0.00 -0.52 0.00 0.00 55.73 55.54 3ifr s ARG 218 Cb 0.09 -2.20 -0.08 0.00 0.52 0.00 0.00 34.95 33.28 3ifr s ARG 218 CO 0.48 -0.37 1.27 0.08 0.02 0.00 0.00 175.30 176.78 3ifr s VAL 219 N -2.89 3.47 -0.22 3.52 1.01 -1.26 -1.00 120.40 123.03 3ifr s VAL 219 Ca 0.53 1.16 -0.14 0.00 0.00 0.00 0.00 61.98 63.54 3ifr s VAL 219 Cb -0.11 -3.74 -0.18 0.00 0.00 0.00 0.00 36.38 32.35 3ifr s VAL 219 CO 0.46 0.15 0.02 -0.11 0.00 0.00 0.00 175.10 175.62 3ifr n LEU 220 N 3.01 2.18 0.00 3.92 7.94 0.19 -4.79 117.00 129.44 3ifr n LEU 220 Ca 0.07 0.29 0.00 0.00 -1.11 0.00 0.00 56.01 55.26 3ifr n LEU 220 Cb 0.44 -0.95 0.00 0.00 0.53 0.00 0.00 43.42 43.44 3ifr n LEU 220 CO 0.57 0.56 0.00 0.61 -1.11 0.00 0.00 177.39 178.02 3ifr n GLY 221 N 1.59 1.35 3.05 -3.96 0.00 -1.00 -4.99 105.19 101.23 3ifr n GLY 221 Ca -0.40 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 3ifr n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifr s ALA 222 N -1.00 0.10 0.05 4.61 0.00 -1.26 -1.10 121.76 123.16 3ifr s ALA 222 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 3ifr s ALA 222 Cb 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 23.12 23.23 3ifr s ALA 222 CO 0.00 -0.24 1.78 0.08 0.00 0.00 0.00 175.76 177.38 3ifr s VAL 223 N -2.19 2.99 1.22 0.00 1.01 0.32 -4.27 120.40 119.48 3ifr s VAL 223 Ca -0.09 0.29 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 3ifr s VAL 223 Cb -0.04 -3.18 0.29 0.00 0.00 0.00 0.00 36.38 33.45 3ifr s VAL 223 CO -0.03 -0.01 1.10 0.42 0.00 0.00 0.00 175.10 176.57 3ifr s THR 224 N 3.37 1.57 -0.02 3.92 -4.23 -0.46 0.06 115.64 119.85 3ifr s THR 224 Ca 0.79 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 61.09 3ifr s THR 224 Cb -0.41 -2.45 -0.23 0.00 1.34 0.00 0.00 72.50 70.74 3ifr s THR 224 CO 0.35 0.00 1.07 0.00 -0.54 0.00 0.00 174.62 175.50 3ifr h ALA 225 N -2.66 0.06 -0.56 3.99 0.00 -1.93 0.13 119.26 118.30 3ifr h ALA 225 Ca -0.45 -0.53 0.11 0.00 0.00 0.00 0.00 54.91 54.04 3ifr h ALA 225 Cb 1.30 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 3ifr h ALA 225 CO 0.34 0.24 0.08 0.93 0.00 0.00 0.00 179.25 180.84 3ifr h GLU 226 N -0.27 0.20 -0.25 0.00 4.39 -1.96 0.21 114.58 116.90 3ifr h GLU 226 Ca -0.06 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.46 3ifr h GLU 226 Cb 1.18 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3ifr h GLU 226 CO 0.09 0.13 -0.53 0.00 -1.16 0.00 0.00 179.01 177.55 3ifr h ALA 227 N 1.46 0.60 -0.47 3.43 0.00 -1.80 -1.72 119.26 120.76 3ifr h ALA 227 Ca 0.29 -0.50 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3ifr h ALA 227 Cb 0.43 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3ifr h ALA 227 CO -0.40 0.68 0.23 0.00 0.00 0.00 0.00 179.25 179.76 3ifr h ALA 228 N 0.84 0.59 -0.80 0.00 0.00 -0.26 -1.54 119.26 118.10 3ifr h ALA 228 Ca 0.02 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3ifr h ALA 228 Cb 1.10 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 3ifr h ALA 228 CO 0.11 -0.13 0.51 0.00 0.00 0.00 0.00 179.25 179.74 3ifr h ALA 229 N 1.26 1.04 0.00 0.00 0.00 -0.18 -1.17 119.26 120.21 3ifr h ALA 229 Ca 0.21 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 3ifr h ALA 229 Cb 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ifr h ALA 229 CO -0.16 0.34 -0.76 -0.07 0.00 0.00 0.00 179.25 178.61 3ifr h LEU 230 N 1.01 0.00 0.00 0.00 3.38 -1.06 -3.38 115.31 115.27 3ifr h LEU 230 Ca 0.31 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.07 3ifr h LEU 230 Cb -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3ifr h LEU 230 CO -0.10 0.76 -2.17 0.35 0.09 0.00 0.00 178.44 177.37 3ifr n THR 231 N -3.30 0.81 0.00 0.22 -2.24 -0.60 -4.79 114.28 104.37 3ifr n THR 231 Ca 0.01 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 3ifr n THR 231 Cb 0.84 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 3ifr n THR 231 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ifr n GLY 232 N 1.64 1.97 3.73 3.38 0.00 -0.45 -2.63 105.19 112.82 3ifr n GLY 232 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 3ifr n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ifr s LEU 233 N 0.00 3.52 0.14 0.99 1.02 -1.25 -4.93 118.68 118.18 3ifr s LEU 233 Ca 0.00 2.60 -0.31 0.00 0.02 0.00 0.00 54.13 56.44 3ifr s LEU 233 Cb 0.00 -4.62 -0.08 0.00 0.02 0.00 0.00 46.19 41.51 3ifr s LEU 233 CO 0.00 -2.09 1.41 -2.84 0.02 0.00 0.00 176.35 172.85 3ifr s PRO 234 N -3.46 4.31 0.17 1.29 0.02 -1.26 -4.46 135.00 131.60 3ifr s PRO 234 Ca 0.82 2.13 -0.31 0.00 0.02 0.00 0.00 61.00 63.66 3ifr s PRO 234 Cb -0.37 -3.22 -0.17 0.00 0.02 0.00 0.00 34.50 30.77 3ifr s PRO 234 CO 0.41 -0.44 0.78 2.41 -0.33 0.00 0.00 177.00 179.84 3ifr n THR 235 N 3.67 1.45 -0.83 0.99 -1.04 -1.26 -1.56 114.28 115.70 3ifr n THR 235 Ca 0.11 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 3ifr n THR 235 Cb 0.42 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 3ifr n THR 235 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ifr n GLY 236 N 1.80 1.10 3.67 3.41 0.00 0.11 -4.90 105.19 110.38 3ifr n GLY 236 Ca 0.17 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.70 3ifr n GLY 236 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ifr n LEU 237 N 0.00 3.06 -4.76 0.99 7.94 -0.60 -4.41 117.00 119.22 3ifr n LEU 237 Ca 0.00 1.03 -0.41 0.00 -1.11 0.00 0.00 56.01 55.52 3ifr n LEU 237 Cb 0.00 -1.35 0.00 0.00 0.53 0.00 0.00 43.42 42.60 3ifr n LEU 237 CO 0.00 -0.26 1.09 -2.65 -1.11 0.00 0.00 177.39 174.46 3ifr n PRO 238 N 5.12 2.53 -4.46 1.96 -0.02 -1.26 -0.52 135.00 138.35 3ifr n PRO 238 Ca 0.21 0.89 -0.31 0.00 -2.02 0.00 0.00 63.50 62.27 3ifr n PRO 238 Cb 0.26 -2.61 -0.17 0.00 -0.02 0.00 0.00 33.50 30.97 3ifr n PRO 238 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ifr s VAL 239 N -1.13 1.76 0.83 -1.45 1.01 -0.26 -2.13 120.40 119.05 3ifr s VAL 239 Ca 0.55 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 3ifr s VAL 239 Cb -0.49 -1.59 0.14 0.00 0.00 0.00 0.00 36.38 34.44 3ifr s VAL 239 CO 0.63 0.49 1.16 -0.31 0.00 0.00 0.00 175.10 177.07 3ifr s TYR 240 N 1.00 2.01 0.60 5.22 1.51 -0.12 0.54 117.35 128.12 3ifr s TYR 240 Ca -0.04 0.24 -0.19 0.00 -1.01 0.00 0.00 57.07 56.07 3ifr s TYR 240 Cb -0.15 -3.59 -0.03 0.00 -0.11 0.00 0.00 41.96 38.08 3ifr s TYR 240 CO -0.04 -2.07 1.24 0.20 -1.11 0.00 0.00 175.55 173.78 3ifr s GLY 241 N -4.74 2.79 0.62 0.71 0.00 -0.17 -4.42 107.32 102.11 3ifr s GLY 241 Ca 0.68 1.09 -0.19 0.00 0.00 0.00 0.00 44.72 46.30 3ifr s GLY 241 CO 0.49 1.50 1.28 -0.32 0.00 0.00 0.00 173.10 176.05 3ifr s GLY 242 N -1.48 2.83 -0.04 0.20 0.00 -1.26 -4.61 107.32 102.96 3ifr s GLY 242 Ca 0.78 1.17 0.06 0.00 0.00 0.00 0.00 44.72 46.73 3ifr s GLY 242 CO 0.36 1.60 -0.21 0.00 0.00 0.00 0.00 173.10 174.85 3ifr s ALA 243 N -1.44 1.77 0.12 3.20 0.00 -0.79 -4.23 121.76 120.39 3ifr s ALA 243 Ca 0.80 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 51.59 3ifr s ALA 243 Cb -0.36 -0.52 -0.07 0.00 0.00 0.00 0.00 23.12 22.17 3ifr s ALA 243 CO 0.39 0.37 1.24 0.00 0.00 0.00 0.00 175.76 177.76 3ifr s ALA 244 N -0.22 3.45 0.14 0.00 0.00 -1.26 -3.15 121.76 120.73 3ifr s ALA 244 Ca 0.01 0.95 -0.18 0.00 0.00 0.00 0.00 51.96 52.74 3ifr s ALA 244 Cb -0.11 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.56 3ifr s ALA 244 CO 0.01 -0.45 1.76 0.38 0.00 0.00 0.00 175.76 177.46 3ifr h ASP 245 N 6.21 0.13 0.05 0.00 2.03 -1.86 -1.61 116.42 121.37 3ifr h ASP 245 Ca -0.43 0.02 -0.07 0.00 -0.73 0.00 0.00 57.03 55.83 3ifr h ASP 245 Cb 1.21 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.70 3ifr h ASP 245 CO 0.80 0.11 -0.20 1.12 -1.03 0.00 0.00 179.24 180.04 3ifr h HIS 246 N 0.24 0.31 -0.14 4.15 2.07 -1.92 0.64 115.15 120.50 3ifr h HIS 246 Ca 0.12 -0.05 -0.15 0.00 -2.85 0.00 0.00 60.37 57.44 3ifr h HIS 246 Cb 0.07 -0.08 0.01 0.00 2.57 0.00 0.00 27.41 29.98 3ifr h HIS 246 CO -0.12 0.48 -0.51 0.82 -3.07 0.00 0.00 177.93 175.53 3ifr h ILE 247 N 0.26 1.35 -0.73 6.12 1.08 -1.89 -1.99 117.51 121.71 3ifr h ILE 247 Ca 0.05 -1.79 -0.00 0.00 -0.39 0.00 0.00 64.86 62.73 3ifr h ILE 247 Cb 0.51 2.08 -0.04 0.00 -3.07 0.00 0.00 36.82 36.31 3ifr h ILE 247 CO 0.03 0.55 0.44 0.00 -0.69 0.00 0.00 178.15 178.48 3ifr h ALA 248 N 0.52 0.93 -0.47 1.87 0.00 -1.00 -1.22 119.26 119.89 3ifr h ALA 248 Ca -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3ifr h ALA 248 Cb 1.14 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3ifr h ALA 248 CO 0.11 0.40 0.16 1.03 0.00 0.00 0.00 179.25 180.94 3ifr h SER 249 N 0.99 0.62 -0.62 0.00 0.87 -0.83 0.18 113.55 114.76 3ifr h SER 249 Ca 0.26 -0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.65 3ifr h SER 249 Cb -0.04 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3ifr h SER 249 CO -0.05 0.58 0.02 0.00 -0.53 0.00 0.00 176.83 176.85 3ifr h ALA 250 N 1.51 0.83 -0.42 6.23 0.00 -0.48 -2.53 119.26 124.40 3ifr h ALA 250 Ca 0.16 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3ifr h ALA 250 Cb 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3ifr h ALA 250 CO -0.01 0.66 0.07 1.25 0.00 0.00 0.00 179.25 181.21 3ifr h LEU 251 N 0.98 0.68 -1.90 0.00 5.85 -0.70 -0.79 115.31 119.42 3ifr h LEU 251 Ca 0.18 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.75 3ifr h LEU 251 Cb 0.54 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3ifr h LEU 251 CO 0.03 0.76 0.31 0.00 -0.34 0.00 0.00 178.44 179.21 3ifr h ALA 252 N 0.94 2.28 -0.12 1.25 0.00 -0.86 -0.46 119.26 122.29 3ifr h ALA 252 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ifr h ALA 252 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ifr h ALA 252 CO 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 178.86 3ifr n ALA 253 N -2.59 2.55 -0.05 0.00 0.00 -0.33 -4.89 120.51 115.20 3ifr n ALA 253 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3ifr n ALA 253 Cb 0.45 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3ifr n ALA 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ifr n GLY 254 N 1.05 0.61 3.57 0.00 0.00 -0.18 -4.99 105.19 105.25 3ifr n GLY 254 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 3ifr n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ifr s ILE 255 N -2.25 3.27 0.00 -0.61 1.09 -1.02 -4.53 121.20 117.16 3ifr s ILE 255 Ca 0.00 -0.37 0.00 0.00 -1.10 0.00 0.00 60.65 59.18 3ifr s ILE 255 Cb 0.00 -3.97 0.00 0.00 -1.06 0.00 0.00 42.46 37.43 3ifr s ILE 255 CO 0.00 -0.53 0.25 0.35 -0.10 0.00 0.00 174.94 174.91 3ifr n THR 256 N 8.36 0.00 -5.27 2.92 -2.24 -1.26 -4.52 114.28 112.27 3ifr n THR 256 Ca 0.43 -0.31 -0.31 0.00 -2.27 0.00 0.00 64.05 61.59 3ifr n THR 256 Cb 0.46 1.30 -0.16 0.00 -2.10 0.00 0.00 70.33 69.83 3ifr n THR 256 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ifr s ARG 257 N -0.12 2.07 -0.04 -0.78 0.52 -1.26 -4.98 118.95 114.35 3ifr s ARG 257 Ca 0.00 -0.94 -0.40 0.00 -0.52 0.00 0.00 55.73 53.87 3ifr s ARG 257 Cb 0.00 -2.02 -0.19 0.00 0.52 0.00 0.00 34.95 33.26 3ifr s ARG 257 CO 0.00 0.55 1.26 -2.30 0.02 0.00 0.00 175.30 174.84 3ifr n PRO 258 N 2.38 0.46 0.00 3.54 -0.02 -1.26 -0.02 135.00 140.08 3ifr n PRO 258 Ca -0.16 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3ifr n PRO 258 Cb 0.51 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3ifr n PRO 258 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ifr n GLY 259 N 2.29 2.00 3.75 -1.23 0.00 -0.34 -4.93 105.19 106.73 3ifr n GLY 259 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3ifr n GLY 259 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ifr s ASP 260 N -1.49 6.83 -0.03 1.61 1.01 0.97 0.12 116.67 125.69 3ifr s ASP 260 Ca 0.00 2.55 0.01 0.00 0.71 0.00 0.00 52.55 55.82 3ifr s ASP 260 Cb 0.00 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.32 3ifr s ASP 260 CO 0.00 -0.53 -0.02 -0.69 0.21 0.00 0.00 175.17 174.14 3ifr s VAL 261 N -0.50 0.36 -0.18 -1.27 1.01 0.76 -0.36 120.40 120.22 3ifr s VAL 261 Ca 0.53 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 3ifr s VAL 261 Cb -0.38 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 3ifr s VAL 261 CO 0.45 0.18 -0.02 -0.22 0.00 0.00 0.00 175.10 175.49 3ifr s LEU 262 N 0.90 3.22 -0.36 3.92 2.96 0.16 -1.01 118.68 128.47 3ifr s LEU 262 Ca -0.11 -0.19 -0.09 0.00 -0.22 0.00 0.00 54.13 53.52 3ifr s LEU 262 Cb -0.14 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.78 3ifr s LEU 262 CO -0.01 0.10 0.17 -0.76 -1.32 0.00 0.00 176.35 174.53 3ifr s LEU 263 N 0.79 4.53 -0.30 -0.68 1.43 0.06 -1.86 118.68 122.65 3ifr s LEU 263 Ca -0.00 -1.01 -0.10 0.00 -1.03 0.00 0.00 54.13 51.98 3ifr s LEU 263 Cb -0.14 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 3ifr s LEU 263 CO 0.02 -0.35 0.17 -0.75 0.23 0.00 0.00 176.35 175.67 3ifr s LYS 264 N 1.51 3.61 -1.10 1.70 2.20 -0.13 -1.75 119.74 125.79 3ifr s LYS 264 Ca 0.01 -0.54 -0.04 0.00 -0.36 0.00 0.00 55.97 55.04 3ifr s LYS 264 Cb -0.19 -3.61 0.30 0.00 -1.51 0.00 0.00 37.83 32.81 3ifr s LYS 264 CO 0.05 -0.31 1.58 1.19 -0.36 0.00 0.00 175.35 177.50 3ifr n PHE 265 N 5.03 2.34 -2.85 4.03 3.72 -0.89 -2.08 117.46 126.76 3ifr n PHE 265 Ca -0.14 -2.58 -0.06 0.00 -0.05 0.00 0.00 57.45 54.62 3ifr n PHE 265 Cb 0.51 -1.31 0.02 0.00 -0.94 0.00 0.00 39.48 37.75 3ifr n PHE 265 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ifr n GLY 266 N 1.29 1.64 0.26 1.37 0.00 -1.26 -1.37 105.19 107.11 3ifr n GLY 266 Ca 0.30 -2.11 0.01 0.00 0.00 0.00 0.00 46.02 44.22 3ifr n GLY 266 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ifr h GLY 267 N -0.02 0.56 0.00 -0.02 0.00 -1.92 -3.21 103.07 98.46 3ifr h GLY 267 Ca -0.08 0.20 -0.17 0.00 0.00 0.00 0.00 47.33 47.28 3ifr h GLY 267 CO 0.11 -0.26 -0.95 0.00 0.00 0.00 0.00 176.54 175.44 3ifr h ALA 268 N 1.68 0.19 -0.18 3.60 0.00 -1.81 -1.87 119.26 120.87 3ifr h ALA 268 Ca 0.34 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3ifr h ALA 268 Cb 0.54 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ifr h ALA 268 CO -0.69 0.55 0.00 0.41 0.00 0.00 0.00 179.25 179.52 3ifr n GLY 269 N 1.49 0.48 3.25 0.00 0.00 -1.21 -3.37 105.19 105.82 3ifr n GLY 269 Ca -0.25 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 3ifr n GLY 269 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ifr s ASP 270 N 0.00 1.79 -0.04 1.61 1.01 -0.88 -4.42 116.67 115.74 3ifr s ASP 270 Ca 0.00 -0.99 -0.00 0.00 0.71 0.00 0.00 52.55 52.27 3ifr s ASP 270 Cb 0.00 -0.01 0.03 0.00 1.01 0.00 0.00 42.92 43.94 3ifr s ASP 270 CO 0.00 -0.31 0.01 -0.51 0.21 0.00 0.00 175.17 174.57 3ifr s ILE 271 N -3.19 0.15 0.05 0.77 2.07 -0.59 -0.95 121.20 119.50 3ifr s ILE 271 Ca 0.15 0.16 0.05 0.00 -1.41 0.00 0.00 60.65 59.61 3ifr s ILE 271 Cb 0.02 -0.29 -0.02 0.00 0.13 0.00 0.00 42.46 42.30 3ifr s ILE 271 CO 0.01 0.17 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.44 3ifr s ILE 272 N 1.41 1.08 -0.01 2.00 1.01 -0.78 -1.87 121.20 124.04 3ifr s ILE 272 Ca -0.04 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.52 3ifr s ILE 272 Cb -0.13 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.35 3ifr s ILE 272 CO -0.03 -0.08 0.00 -0.69 0.00 0.00 0.00 174.94 174.14 3ifr s VAL 273 N -0.99 0.06 0.11 2.92 1.01 -1.02 0.36 120.40 122.85 3ifr s VAL 273 Ca 0.00 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 3ifr s VAL 273 Cb -0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 36.38 36.12 3ifr s VAL 273 CO 0.02 0.06 0.63 0.00 0.00 0.00 0.00 175.10 175.81 3ifr s ALA 274 N 0.43 3.54 0.05 5.51 0.00 0.52 -3.51 121.76 128.29 3ifr s ALA 274 Ca -0.04 0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.87 3ifr s ALA 274 Cb -0.06 -2.72 0.03 0.00 0.00 0.00 0.00 23.12 20.37 3ifr s ALA 274 CO -0.01 0.37 0.38 0.45 0.00 0.00 0.00 175.76 176.95 3ifr s SER 275 N -1.19 -0.23 0.00 0.00 0.15 -0.35 -1.20 113.70 110.87 3ifr s SER 275 Ca 0.32 -0.08 0.22 0.00 0.70 0.00 0.00 55.95 57.11 3ifr s SER 275 Cb -0.20 0.41 -0.07 0.00 -1.71 0.00 0.00 66.02 64.44 3ifr s SER 275 CO 0.21 -0.66 1.02 0.00 1.20 0.00 0.00 173.24 175.01 3ifr n ALA 276 N 0.48 4.18 -2.56 5.45 0.00 -1.26 0.54 120.51 127.34 3ifr n ALA 276 Ca -0.18 -0.60 -0.32 0.00 0.00 0.00 0.00 53.44 52.34 3ifr n ALA 276 Cb 0.60 -0.81 -0.11 0.00 0.00 0.00 0.00 19.45 19.13 3ifr n ALA 276 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3ifr s THR 277 N -2.78 3.43 -0.24 0.00 -1.32 -1.26 -4.75 115.64 108.72 3ifr s THR 277 Ca 0.13 -0.89 -0.06 0.00 -1.21 0.00 0.00 61.69 59.66 3ifr s THR 277 Cb 0.17 -2.48 -0.02 0.00 -1.51 0.00 0.00 72.50 68.65 3ifr s THR 277 CO 0.73 0.37 0.04 0.00 -2.21 0.00 0.00 174.62 173.56 3ifr s ALA 278 N -0.99 3.08 -0.07 11.08 0.00 -1.26 -4.76 121.76 128.84 3ifr s ALA 278 Ca 0.17 -1.14 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 3ifr s ALA 278 Cb -0.11 -1.99 0.04 0.00 0.00 0.00 0.00 23.12 21.06 3ifr s ALA 278 CO 0.07 -0.47 0.42 0.15 0.00 0.00 0.00 175.76 175.93 3ifr s LYS 279 N 1.58 0.70 0.43 0.00 1.02 -1.26 -5.16 119.74 117.04 3ifr s LYS 279 Ca 0.06 0.15 0.08 0.00 0.02 0.00 0.00 55.97 56.27 3ifr s LYS 279 Cb -0.15 0.32 -0.01 0.00 -0.52 0.00 0.00 37.83 37.47 3ifr s LYS 279 CO 0.02 -0.17 0.40 -1.12 -0.92 0.00 0.00 175.35 173.55 3ifr s SER 280 N -0.82 5.05 0.00 2.83 0.01 -1.26 -4.95 113.70 114.56 3ifr s SER 280 Ca -0.09 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.40 3ifr s SER 280 Cb -0.04 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 65.70 3ifr s SER 280 CO 0.04 -0.70 0.00 0.54 0.41 0.00 0.00 173.24 173.53 3ifr n ARG 283 N -1.59 0.00 -3.90 12.44 3.00 -1.26 -5.02 116.66 120.33 3ifr n ARG 283 Ca 0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 57.77 3ifr n ARG 283 Cb 0.62 -0.94 -0.12 0.00 0.00 0.00 0.00 32.46 32.02 3ifr n ARG 283 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3ifr s LEU 284 N 0.00 1.92 0.57 0.55 1.43 -1.26 -4.89 118.68 117.00 3ifr s LEU 284 Ca 0.00 -0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 3ifr s LEU 284 Cb 0.00 0.21 0.07 0.00 0.03 0.00 0.00 46.19 46.50 3ifr s LEU 284 CO 0.00 -0.16 0.58 -0.31 0.23 0.00 0.00 176.35 176.69 3ifr s TYR 285 N -0.66 1.40 0.00 0.29 2.02 0.26 -4.82 117.35 115.83 3ifr s TYR 285 Ca -0.07 -0.83 0.06 0.00 -0.37 0.00 0.00 57.07 55.86 3ifr s TYR 285 Cb -0.05 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.48 3ifr s TYR 285 CO -0.00 -0.82 -0.19 -1.17 -1.57 0.00 0.00 175.55 171.80 3ifr s LEU 286 N -4.47 2.07 0.09 -1.29 2.96 -1.02 0.78 118.68 117.80 3ifr s LEU 286 Ca 0.45 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 3ifr s LEU 286 Cb -0.04 -0.95 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 3ifr s LEU 286 CO 0.28 0.20 -0.03 -1.81 -1.32 0.00 0.00 176.35 173.68 3ifr s ASP 287 N -0.65 0.75 0.42 3.68 1.11 -1.17 -4.69 116.67 116.12 3ifr s ASP 287 Ca 0.07 -1.04 -0.22 0.00 0.18 0.00 0.00 52.55 51.53 3ifr s ASP 287 Cb -0.08 0.17 -0.10 0.00 1.07 0.00 0.00 42.92 43.98 3ifr s ASP 287 CO -0.00 -0.57 0.99 -0.31 1.18 0.00 0.00 175.17 176.46 3ifr s TYR 288 N -3.81 3.29 0.71 4.23 2.02 -1.26 -0.95 117.35 121.57 3ifr s TYR 288 Ca 0.12 1.64 -0.12 0.00 -0.37 0.00 0.00 57.07 58.34 3ifr s TYR 288 Cb 0.07 -2.97 0.02 0.00 -0.40 0.00 0.00 41.96 38.68 3ifr s TYR 288 CO -0.06 -0.33 1.08 -1.58 -1.57 0.00 0.00 175.55 173.10 3ifr s HIS 289 N -1.94 2.76 0.26 2.71 2.46 0.12 -4.55 115.29 117.11 3ifr s HIS 289 Ca 0.61 1.52 0.03 0.00 0.47 0.00 0.00 55.06 57.69 3ifr s HIS 289 Cb -0.15 -3.03 0.34 0.00 -0.13 0.00 0.00 32.58 29.61 3ifr s HIS 289 CO 0.19 -1.56 1.64 -0.07 -2.47 0.00 0.00 174.74 172.47 3ifr h LEU 290 N -0.58 0.37 -9.29 8.88 4.07 -1.89 -3.43 115.31 113.44 3ifr h LEU 290 Ca -0.45 -0.17 -0.55 0.00 0.08 0.00 0.00 57.88 56.80 3ifr h LEU 290 Cb 1.23 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.86 3ifr h LEU 290 CO 0.54 0.77 1.06 -0.69 -1.08 0.00 0.00 178.44 179.04 3ifr s VAL 291 N -4.10 3.52 0.16 1.22 1.01 -1.26 -4.50 120.40 116.45 3ifr s VAL 291 Ca -0.05 0.70 -0.34 0.00 0.00 0.00 0.00 61.98 62.29 3ifr s VAL 291 Cb 0.13 -3.45 -0.15 0.00 0.00 0.00 0.00 36.38 32.91 3ifr s VAL 291 CO 0.79 -0.05 1.43 -2.65 0.00 0.00 0.00 175.10 174.62 3ifr n PRO 292 N 6.83 1.77 0.00 2.72 -0.02 -1.26 -1.60 135.00 143.44 3ifr n PRO 292 Ca 0.17 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3ifr n PRO 292 Cb 0.42 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3ifr n PRO 292 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ifr n GLY 293 N 2.72 1.71 3.86 -1.23 0.00 -1.26 -5.03 105.19 105.96 3ifr n GLY 293 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3ifr n GLY 293 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ifr s LEU 294 N 0.00 4.13 0.34 0.99 1.43 -0.63 -4.84 118.68 120.10 3ifr s LEU 294 Ca 0.00 0.15 0.07 0.00 -1.03 0.00 0.00 54.13 53.32 3ifr s LEU 294 Cb 0.00 -2.76 -0.01 0.00 0.03 0.00 0.00 46.19 43.45 3ifr s LEU 294 CO 0.00 0.17 0.44 -0.31 0.23 0.00 0.00 176.35 176.88 3ifr s TYR 295 N -1.46 3.05 -0.41 0.29 1.51 0.19 0.14 117.35 120.65 3ifr s TYR 295 Ca 0.33 -0.25 0.08 0.00 -1.01 0.00 0.00 57.07 56.21 3ifr s TYR 295 Cb -0.13 -1.98 0.25 0.00 -0.11 0.00 0.00 41.96 39.99 3ifr s TYR 295 CO 0.25 0.00 0.54 0.00 -1.11 0.00 0.00 175.55 175.24 3ifr n ALA 296 N -1.60 2.57 -1.65 3.71 0.00 -0.12 -1.21 120.51 122.20 3ifr n ALA 296 Ca 0.00 -3.52 -0.42 0.00 0.00 0.00 0.00 53.44 49.51 3ifr n ALA 296 Cb 0.59 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 19.22 3ifr n ALA 296 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ifr n PRO 297 N 1.36 1.65 -4.00 0.00 -0.02 -1.23 -3.06 135.00 129.70 3ifr n PRO 297 Ca 0.22 0.59 -0.09 0.00 -2.02 0.00 0.00 63.50 62.19 3ifr n PRO 297 Cb 0.52 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.77 3ifr n PRO 297 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3ifr s ASN 298 N -0.60 -0.05 0.24 2.55 4.22 0.23 -2.42 114.94 119.12 3ifr s ASN 298 Ca 0.61 -0.96 -0.22 0.00 -2.14 0.00 0.00 52.86 50.15 3ifr s ASN 298 Cb -0.56 0.59 0.04 0.00 1.28 0.00 0.00 41.25 42.61 3ifr s ASN 298 CO 0.58 -1.15 0.83 -0.83 -2.04 0.00 0.00 177.10 174.49 3ifr s GLY 299 N -3.03 -0.07 0.00 0.45 0.00 -0.78 0.89 107.32 104.77 3ifr s GLY 299 Ca 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.73 3ifr s GLY 299 CO 0.10 0.06 0.00 0.00 0.00 0.00 0.00 173.10 173.26 3ifr n ALA 302 N -3.00 1.87 -3.92 0.00 0.00 -1.26 -4.99 120.51 109.20 3ifr n ALA 302 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 53.44 52.64 3ifr n ALA 302 Cb 0.00 0.17 -0.17 0.00 0.00 0.00 0.00 19.45 19.46 3ifr n ALA 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ifr s ALA 303 N -2.45 1.81 -0.51 0.00 0.00 -1.26 -4.59 121.76 114.75 3ifr s ALA 303 Ca -0.18 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.00 3ifr s ALA 303 Cb 0.04 -1.00 0.20 0.00 0.00 0.00 0.00 23.12 22.36 3ifr s ALA 303 CO 0.25 -0.31 0.76 2.41 0.00 0.00 0.00 175.76 178.87 3ifr n THR 304 N 4.64 -0.01 0.00 0.00 -1.04 -0.76 -4.59 114.28 112.52 3ifr n THR 304 Ca -0.17 -1.10 0.00 0.00 -2.04 0.00 0.00 64.05 60.74 3ifr n THR 304 Cb 0.50 1.07 0.00 0.00 -1.82 0.00 0.00 70.33 70.08 3ifr n THR 304 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ifr n GLY 305 N 2.72 3.14 0.25 3.41 0.00 -1.25 -4.02 105.19 109.43 3ifr n GLY 305 Ca 0.17 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 3ifr n GLY 305 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ifr h SER 306 N 0.52 0.96 -0.50 1.61 4.64 -1.66 0.88 113.55 120.00 3ifr h SER 306 Ca 0.00 -0.49 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 3ifr h SER 306 Cb 0.00 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.79 3ifr h SER 306 CO 0.00 1.28 0.23 0.00 -0.87 0.00 0.00 176.83 177.47 3ifr h ALA 307 N 0.75 1.40 -0.31 5.18 0.00 -1.81 -1.27 119.26 123.19 3ifr h ALA 307 Ca 0.03 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3ifr h ALA 307 Cb 1.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3ifr h ALA 307 CO 0.11 0.46 -0.29 -0.07 0.00 0.00 0.00 179.25 179.47 3ifr h LEU 308 N 0.76 0.79 -0.26 0.00 4.07 -1.85 -1.71 115.31 117.12 3ifr h LEU 308 Ca 0.19 -0.46 0.02 0.00 0.08 0.00 0.00 57.88 57.71 3ifr h LEU 308 Cb 0.12 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.61 3ifr h LEU 308 CO -0.02 1.09 0.10 0.78 -1.08 0.00 0.00 178.44 179.31 3ifr h ASN 309 N 0.51 0.12 0.17 -0.43 2.35 -0.64 0.15 115.58 117.81 3ifr h ASN 309 Ca 0.05 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3ifr h ASN 309 Cb 0.86 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.19 3ifr h ASN 309 CO 0.07 0.10 -0.43 -0.25 -1.65 0.00 0.00 177.43 175.27 3ifr h TRP 310 N 0.22 -1.20 0.00 1.19 7.01 -1.12 -1.07 115.95 120.97 3ifr h TRP 310 Ca 0.11 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 3ifr h TRP 310 Cb 0.07 0.50 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 3ifr h TRP 310 CO -0.12 -0.54 -0.18 1.25 -2.79 0.00 0.00 178.44 176.06 3ifr h LEU 311 N -0.70 0.00 -0.28 0.65 5.85 -1.19 -2.56 115.31 117.09 3ifr h LEU 311 Ca 0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3ifr h LEU 311 Cb 0.70 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3ifr h LEU 311 CO -0.22 0.18 0.13 0.00 -0.34 0.00 0.00 178.44 178.20 3ifr h ALA 312 N 1.82 0.36 -0.79 1.25 0.00 0.48 -1.57 119.26 120.81 3ifr h ALA 312 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ifr h ALA 312 Cb 0.35 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3ifr h ALA 312 CO 0.02 -0.09 0.49 0.87 0.00 0.00 0.00 179.25 180.55 3ifr h LYS 313 N 0.31 1.06 -0.39 0.00 1.57 -0.86 0.18 116.57 118.44 3ifr h LYS 313 Ca 0.09 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3ifr h LYS 313 Cb 0.12 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3ifr h LYS 313 CO -0.01 0.72 0.15 -0.07 -0.57 0.00 0.00 179.45 179.67 3ifr h LEU 314 N 1.08 0.54 -0.13 2.94 3.38 -1.09 -2.79 115.31 119.24 3ifr h LEU 314 Ca 0.29 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ifr h LEU 314 Cb -0.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3ifr h LEU 314 CO -0.06 0.56 -0.80 0.18 0.09 0.00 0.00 178.44 178.42 3ifr n LEU 315 N -4.65 1.00 -2.85 1.67 4.77 -0.64 -4.41 117.00 111.89 3ifr n LEU 315 Ca -0.00 -0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 55.46 3ifr n LEU 315 Cb 0.15 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3ifr n LEU 315 CO 0.37 0.23 -0.03 0.00 -1.33 0.00 0.00 177.39 176.63 3ifr n ALA 316 N -1.30 2.23 -0.34 -1.18 0.00 0.03 -5.01 120.51 114.95 3ifr n ALA 316 Ca 0.05 -2.81 0.06 0.00 0.00 0.00 0.00 53.44 50.74 3ifr n ALA 316 Cb 0.35 -0.97 0.25 0.00 0.00 0.00 0.00 19.45 19.08 3ifr n ALA 316 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ifr h PRO 317 N 2.87 0.96 -1.64 0.00 0.13 -1.66 -2.37 132.00 130.29 3ifr h PRO 317 Ca -0.06 -0.06 -0.72 0.00 -0.87 0.00 0.00 66.00 64.29 3ifr h PRO 317 Cb 1.12 -0.22 -0.30 0.00 0.13 0.00 0.00 31.00 31.73 3ifr h PRO 317 CO 0.39 0.64 0.78 0.39 -0.23 0.00 0.00 178.00 179.96 3ifr n GLU 318 N -4.56 2.83 0.00 0.86 -0.58 -1.26 -4.43 120.64 113.50 3ifr n GLU 318 Ca 0.17 -3.58 0.00 0.00 -0.42 0.00 0.00 57.16 53.33 3ifr n GLU 318 Cb 0.31 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 28.90 3ifr n GLU 318 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ifr n ALA 319 N -0.64 1.02 -0.74 0.62 0.00 -0.89 -5.09 120.51 114.80 3ifr n ALA 319 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3ifr n ALA 319 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3ifr n ALA 319 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ifr n GLY 320 N 0.85 2.88 0.33 0.00 0.00 -1.26 -2.18 105.19 105.81 3ifr n GLY 320 Ca 0.00 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.93 3ifr n GLY 320 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ifr n GLU 321 N 13.48 1.27 0.28 1.61 1.02 -1.26 -2.34 120.64 134.70 3ifr n GLU 321 Ca 0.00 -0.67 0.17 0.00 -0.02 0.00 0.00 57.16 56.64 3ifr n GLU 321 Cb 0.00 -1.49 0.71 0.00 -0.02 0.00 0.00 31.44 30.64 3ifr n GLU 321 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ifr h ALA 322 N 4.06 1.01 -0.82 0.62 0.00 -1.86 -3.35 119.26 118.91 3ifr h ALA 322 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3ifr h ALA 322 Cb 0.44 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 3ifr h ALA 322 CO 0.00 0.03 -0.49 0.00 0.00 0.00 0.00 179.25 178.80 3ifr n ALA 323 N -2.11 -0.53 -0.11 0.00 0.00 -0.99 -0.72 120.51 116.05 3ifr n ALA 323 Ca 0.00 0.70 -0.06 0.00 0.00 0.00 0.00 53.44 54.09 3ifr n ALA 323 Cb 0.30 -0.05 0.02 0.00 0.00 0.00 0.00 19.45 19.72 3ifr n ALA 323 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ifr h HIS 324 N 0.00 0.20 -0.28 0.00 3.86 -1.83 -1.00 115.15 116.10 3ifr h HIS 324 Ca 0.13 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.42 3ifr h HIS 324 Cb 0.34 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.72 3ifr h HIS 324 CO -0.97 0.07 -0.07 0.00 0.86 0.00 0.00 177.93 177.82 3ifr h ALA 325 N 1.26 0.19 -0.29 2.45 0.00 -1.14 -0.09 119.26 121.63 3ifr h ALA 325 Ca 0.18 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 3ifr h ALA 325 Cb 0.17 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3ifr h ALA 325 CO -0.19 -0.46 -0.38 1.96 0.00 0.00 0.00 179.25 180.17 3ifr h GLN 326 N 0.00 0.68 -0.43 0.00 4.20 -0.64 -2.20 115.11 116.73 3ifr h GLN 326 Ca 0.13 -0.35 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 3ifr h GLN 326 Cb 0.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3ifr h GLN 326 CO -0.29 0.95 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.69 3ifr h LEU 327 N 0.57 0.72 -0.79 1.46 3.38 -0.84 -2.72 115.31 117.08 3ifr h LEU 327 Ca 0.05 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3ifr h LEU 327 Cb 0.91 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 3ifr h LEU 327 CO 0.08 0.83 0.33 0.44 0.09 0.00 0.00 178.44 180.22 3ifr h ASP 328 N 0.68 1.08 0.14 -0.43 3.32 -0.48 -0.54 116.42 120.19 3ifr h ASP 328 Ca 0.12 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3ifr h ASP 328 Cb 0.52 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3ifr h ASP 328 CO 0.03 0.95 -0.14 0.00 -1.72 0.00 0.00 179.24 178.36 3ifr h ALA 329 N 1.18 -0.27 -0.53 3.45 0.00 -1.23 -1.09 119.26 120.77 3ifr h ALA 329 Ca 0.27 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3ifr h ALA 329 Cb 0.19 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3ifr h ALA 329 CO -0.02 -0.68 0.23 -0.07 0.00 0.00 0.00 179.25 178.71 3ifr h LEU 330 N -0.31 0.30 -1.73 0.00 3.38 -1.19 -1.84 115.31 113.92 3ifr h LEU 330 Ca 0.01 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.08 3ifr h LEU 330 Cb 0.30 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3ifr h LEU 330 CO -0.04 0.20 0.29 0.00 0.09 0.00 0.00 178.44 178.98 3ifr h ALA 331 N 1.32 1.98 -0.42 1.53 0.00 -0.87 -2.14 119.26 120.65 3ifr h ALA 331 Ca 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ifr h ALA 331 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3ifr h ALA 331 CO -0.21 -0.06 0.22 0.00 0.00 0.00 0.00 179.25 179.21 3ifr h ALA 332 N 1.77 1.59 -0.00 0.00 0.00 -0.31 -0.38 119.26 121.93 3ifr h ALA 332 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ifr h ALA 332 Cb 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ifr h ALA 332 CO -0.04 0.34 -0.07 -1.91 0.00 0.00 0.00 179.25 177.56 3ifr n GLU 333 N -4.42 0.32 -3.47 0.00 2.13 -0.81 -4.85 120.64 109.54 3ifr n GLU 333 Ca 0.03 -0.05 -0.38 0.00 0.66 0.00 0.00 57.16 57.42 3ifr n GLU 333 Cb 0.11 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.25 3ifr n GLU 333 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3ifr s VAL 334 N -2.72 5.13 0.71 6.31 1.01 -0.15 -5.06 120.40 125.63 3ifr s VAL 334 Ca 0.23 0.81 -0.16 0.00 0.00 0.00 0.00 61.98 62.85 3ifr s VAL 334 Cb 0.20 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.88 3ifr s VAL 334 CO 0.51 0.48 1.23 -2.84 0.00 0.00 0.00 175.10 174.49 3ifr s PRO 335 N -0.39 2.24 0.30 2.72 0.02 -1.26 -4.86 135.00 133.77 3ifr s PRO 335 Ca 0.23 1.86 -0.30 0.00 0.02 0.00 0.00 61.00 62.81 3ifr s PRO 335 Cb -0.16 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.41 3ifr s PRO 335 CO 0.11 -1.78 1.44 0.00 -0.33 0.00 0.00 177.00 176.43 3ifr n ALA 336 N -2.48 1.71 0.00 -1.55 0.00 -1.26 -0.90 120.51 116.03 3ifr n ALA 336 Ca 0.14 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3ifr n ALA 336 Cb 0.50 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3ifr n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ifr n GLY 337 N 1.55 2.54 2.61 0.00 0.00 -1.26 -4.57 105.19 106.06 3ifr n GLY 337 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 3ifr n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ifr n ALA 338 N -1.59 -0.78 -3.38 4.61 0.00 -0.08 -2.88 120.51 116.40 3ifr n ALA 338 Ca 0.00 0.15 -0.17 0.00 0.00 0.00 0.00 53.44 53.42 3ifr n ALA 338 Cb 0.00 -2.24 0.08 0.00 0.00 0.00 0.00 19.45 17.29 3ifr n ALA 338 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ifr n ASP 339 N -2.04 -2.66 0.00 0.00 8.00 -1.26 -3.01 116.55 115.58 3ifr n ASP 339 Ca -0.16 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.76 3ifr n ASP 339 Cb 0.63 -4.87 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 3ifr n ASP 339 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ifr n GLY 340 N -1.25 0.08 3.78 0.44 0.00 -1.14 -5.02 105.19 102.08 3ifr n GLY 340 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 3ifr n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ifr s LEU 341 N 0.00 4.03 -0.07 0.99 1.43 -1.16 -4.52 118.68 119.38 3ifr s LEU 341 Ca 0.00 2.17 -0.03 0.00 -1.03 0.00 0.00 54.13 55.24 3ifr s LEU 341 Cb 0.00 -4.26 0.04 0.00 0.03 0.00 0.00 46.19 42.00 3ifr s LEU 341 CO 0.00 -0.76 0.10 -0.69 0.23 0.00 0.00 176.35 175.23 3ifr s VAL 342 N -1.63 -0.17 -0.06 -1.59 1.01 -0.86 -4.76 120.40 112.33 3ifr s VAL 342 Ca 0.62 0.36 0.03 0.00 0.00 0.00 0.00 61.98 63.00 3ifr s VAL 342 Cb -0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 3ifr s VAL 342 CO 0.30 0.14 -0.15 0.00 0.00 0.00 0.00 175.10 175.40 3ifr s LEU 344 N -0.62 3.98 -0.52 0.00 1.43 0.20 -4.72 118.68 118.42 3ifr s LEU 344 Ca 0.09 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 3ifr s LEU 344 Cb -0.11 -2.08 0.30 0.00 0.03 0.00 0.00 46.19 44.33 3ifr s LEU 344 CO 0.01 -0.08 2.11 -0.81 0.23 0.00 0.00 176.35 177.81 3ifr n PRO 345 N 5.04 2.30 -2.53 1.29 -0.04 -1.26 -1.99 135.00 137.80 3ifr n PRO 345 Ca -0.14 -2.50 -0.40 0.00 -0.04 0.00 0.00 63.50 60.42 3ifr n PRO 345 Cb 0.51 -1.99 0.02 0.00 -0.04 0.00 0.00 33.50 32.00 3ifr n PRO 345 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ifr n TYR 346 N -0.18 2.86 0.41 0.54 4.01 -1.26 -4.59 117.16 118.95 3ifr n TYR 346 Ca 0.47 -2.58 0.05 0.00 -0.16 0.00 0.00 57.90 55.68 3ifr n TYR 346 Cb 0.58 -1.16 0.24 0.00 -0.31 0.00 0.00 39.34 38.68 3ifr n TYR 346 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3ifr n PHE 347 N -0.15 0.00 -2.35 -0.72 3.72 -1.26 -1.98 117.46 114.72 3ifr n PHE 347 Ca 0.48 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.90 3ifr n PHE 347 Cb 0.26 -0.41 0.01 0.00 -0.94 0.00 0.00 39.48 38.40 3ifr n PHE 347 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3ifr n LEU 348 N -1.41 0.66 0.00 4.37 0.00 -1.26 -4.77 117.00 114.58 3ifr n LEU 348 Ca 0.03 -1.75 0.00 0.00 0.00 0.00 0.00 56.01 54.29 3ifr n LEU 348 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.53 3ifr n LEU 348 CO 0.09 0.50 0.00 0.61 0.00 0.00 0.00 177.39 178.59 3ifr n GLY 349 N 0.35 -1.24 2.60 -3.96 0.00 -0.84 -4.94 105.19 97.16 3ifr n GLY 349 Ca 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.88 3ifr n GLY 349 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ifr n ASP 356 N -1.28 -5.30 0.01 1.61 -0.08 -1.26 -4.55 116.55 105.70 3ifr n ASP 356 Ca 0.00 0.38 0.12 0.00 -1.51 0.00 0.00 54.79 53.77 3ifr n ASP 356 Cb 0.00 -1.24 0.51 0.00 2.34 0.00 0.00 41.12 42.74 3ifr n ASP 356 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3ifr n PRO 357 N 1.27 0.02 -0.05 -0.67 -0.02 -1.26 -2.87 135.00 131.43 3ifr n PRO 357 Ca 0.00 0.09 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 3ifr n PRO 357 Cb 0.34 -1.52 0.19 0.00 -0.02 0.00 0.00 33.50 32.49 3ifr n PRO 357 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ifr n PHE 358 N -1.55 0.13 -2.10 6.00 3.72 -1.26 -4.94 117.46 117.45 3ifr n PHE 358 Ca 0.06 -0.06 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 3ifr n PHE 358 Cb 0.29 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.81 3ifr n PHE 358 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ifr s ALA 359 N -1.87 3.48 0.20 4.37 0.00 -1.14 -4.83 121.76 121.97 3ifr s ALA 359 Ca 0.32 1.27 0.04 0.00 0.00 0.00 0.00 51.96 53.59 3ifr s ALA 359 Cb 0.21 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 3ifr s ALA 359 CO 0.31 -0.68 -0.03 -1.54 0.00 0.00 0.00 175.76 173.82 3ifr s SER 360 N -0.49 1.77 0.11 0.00 1.04 -1.25 -3.43 113.70 111.45 3ifr s SER 360 Ca 0.50 -1.15 -0.36 0.00 0.48 0.00 0.00 55.95 55.42 3ifr s SER 360 Cb -0.40 0.01 -0.16 0.00 0.10 0.00 0.00 66.02 65.57 3ifr s SER 360 CO 0.53 -0.46 1.35 0.61 0.98 0.00 0.00 173.24 176.25 3ifr n GLY 361 N -0.34 0.52 2.87 7.32 0.00 -0.91 -4.35 105.19 110.31 3ifr n GLY 361 Ca -0.07 0.67 -0.14 0.00 0.00 0.00 0.00 46.02 46.49 3ifr n GLY 361 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ifr s THR 362 N 0.45 -0.04 -0.11 2.61 2.01 -0.84 -4.96 115.64 114.75 3ifr s THR 362 Ca 0.82 0.16 0.03 0.00 0.31 0.00 0.00 61.69 63.01 3ifr s THR 362 Cb -0.90 -0.16 -0.00 0.00 0.01 0.00 0.00 72.50 71.45 3ifr s THR 362 CO 0.46 0.07 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.88 3ifr s PHE 363 N 0.95 2.62 0.27 4.92 0.08 -1.26 -0.63 117.98 124.93 3ifr s PHE 363 Ca -0.08 -1.03 0.02 0.00 0.12 0.00 0.00 56.93 55.96 3ifr s PHE 363 Cb -0.10 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 3ifr s PHE 363 CO -0.04 -0.42 0.13 -0.08 -0.10 0.00 0.00 175.22 174.71 3ifr s THR 364 N 0.42 0.39 0.00 0.64 -1.32 -0.61 -4.80 115.64 110.36 3ifr s THR 364 Ca -0.16 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.32 3ifr s THR 364 Cb -0.17 -2.57 0.00 0.00 -1.51 0.00 0.00 72.50 68.25 3ifr s THR 364 CO 0.07 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 3ifr n GLY 365 N -0.48 0.70 3.76 6.08 0.00 -1.26 -2.04 105.19 111.95 3ifr n GLY 365 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3ifr n GLY 365 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ifr s LEU 366 N 0.00 3.99 0.15 0.99 1.43 -1.26 -4.51 118.68 119.47 3ifr s LEU 366 Ca 0.00 2.79 -0.00 0.00 -1.03 0.00 0.00 54.13 55.89 3ifr s LEU 366 Cb 0.00 -4.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.07 3ifr s LEU 366 CO 0.00 -1.32 0.05 -0.94 0.23 0.00 0.00 176.35 174.37 3ifr s SER 367 N -0.79 0.53 0.00 2.29 1.04 -1.26 -5.03 113.70 110.48 3ifr s SER 367 Ca 0.66 -1.22 0.03 0.00 0.48 0.00 0.00 55.95 55.89 3ifr s SER 367 Cb -0.41 0.26 0.13 0.00 0.10 0.00 0.00 66.02 66.11 3ifr s SER 367 CO 0.50 -0.70 0.92 0.18 0.98 0.00 0.00 173.24 175.11 3ifr n LEU 368 N -0.16 0.00 0.05 2.42 4.77 -1.26 -1.86 117.00 120.97 3ifr n LEU 368 Ca -0.05 0.30 0.06 0.00 -0.03 0.00 0.00 56.01 56.29 3ifr n LEU 368 Cb 0.64 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 3ifr n LEU 368 CO 0.32 -0.28 -0.24 -1.20 -1.33 0.00 0.00 177.39 174.66 3ifr n SER 369 N -1.30 0.74 -4.77 -1.43 7.64 -1.26 -4.94 113.62 108.30 3ifr n SER 369 Ca 0.01 0.31 -0.41 0.00 1.01 0.00 0.00 58.87 59.79 3ifr n SER 369 Cb 0.02 0.50 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 3ifr n SER 369 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3ifr s HIS 370 N -3.16 3.18 0.44 1.43 3.76 -0.78 -5.02 115.29 115.15 3ifr s HIS 370 Ca -0.03 1.49 0.08 0.00 -0.15 0.00 0.00 55.06 56.45 3ifr s HIS 370 Cb 0.09 -3.57 -0.01 0.00 1.11 0.00 0.00 32.58 30.20 3ifr s HIS 370 CO 0.81 -1.51 0.42 0.95 -0.85 0.00 0.00 174.74 174.56 3ifr s THR 371 N -1.15 2.57 0.46 1.30 -4.23 -1.26 -4.94 115.64 108.39 3ifr s THR 371 Ca 0.48 -1.31 0.17 0.00 -1.18 0.00 0.00 61.69 59.84 3ifr s THR 371 Cb -0.38 -2.88 0.34 0.00 1.34 0.00 0.00 72.50 70.93 3ifr s THR 371 CO 0.50 0.00 2.00 0.08 -0.54 0.00 0.00 174.62 176.65 3ifr h ARG 372 N 0.92 0.28 -0.53 3.99 0.11 -1.96 -0.36 114.38 116.82 3ifr h ARG 372 Ca -0.40 -0.02 0.03 0.00 0.10 0.00 0.00 59.98 59.69 3ifr h ARG 372 Cb 1.27 -0.06 -0.04 0.00 1.11 0.00 0.00 29.97 32.25 3ifr h ARG 372 CO 0.55 0.18 0.31 0.78 0.10 0.00 0.00 179.97 181.90 3ifr h GLY 373 N 0.28 0.76 1.03 0.08 0.00 -1.90 -1.32 103.07 102.01 3ifr h GLY 373 Ca 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 3ifr h GLY 373 CO -0.05 0.18 0.39 0.45 0.00 0.00 0.00 176.54 177.51 3ifr h HIS 374 N 0.61 1.17 -0.32 5.60 3.86 -1.41 -2.28 115.15 122.37 3ifr h HIS 374 Ca 0.22 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 3ifr h HIS 374 Cb 0.05 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 3ifr h HIS 374 CO -0.07 0.85 -0.02 -0.07 0.86 0.00 0.00 177.93 179.47 3ifr h LEU 375 N 1.15 0.57 -0.20 2.43 4.07 -0.78 -0.66 115.31 121.88 3ifr h LEU 375 Ca 0.28 -0.33 0.04 0.00 0.08 0.00 0.00 57.88 57.95 3ifr h LEU 375 Cb 0.12 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.66 3ifr h LEU 375 CO -0.04 0.76 -0.08 -0.25 -1.08 0.00 0.00 178.44 177.76 3ifr h TRP 376 N 0.36 -0.18 -0.58 1.13 -0.00 -1.26 -1.21 115.95 114.22 3ifr h TRP 376 Ca 0.09 0.02 -0.08 0.00 -0.00 0.00 0.00 58.89 58.91 3ifr h TRP 376 Cb 0.48 0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 29.73 3ifr h TRP 376 CO 0.04 -0.12 0.04 -0.09 -0.00 0.00 0.00 178.44 178.30 3ifr h ARG 377 N -0.04 0.98 -0.72 2.65 2.43 -1.23 -0.54 114.38 117.91 3ifr h ARG 377 Ca 0.11 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3ifr h ARG 377 Cb 0.20 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3ifr h ARG 377 CO -0.23 0.94 0.44 0.00 -1.51 0.00 0.00 179.97 179.61 3ifr h ALA 378 N 1.12 1.42 -0.16 2.80 0.00 -0.41 0.15 119.26 124.17 3ifr h ALA 378 Ca 0.17 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3ifr h ALA 378 Cb 0.48 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ifr h ALA 378 CO 0.02 0.51 -0.42 1.25 0.00 0.00 0.00 179.25 180.60 3ifr h LEU 379 N 0.99 0.66 -0.78 0.00 5.85 -0.53 -1.76 115.31 119.73 3ifr h LEU 379 Ca 0.26 -0.58 0.08 0.00 0.84 0.00 0.00 57.88 58.48 3ifr h LEU 379 Cb -0.05 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.72 3ifr h LEU 379 CO -0.05 1.12 0.45 -0.07 -0.34 0.00 0.00 178.44 179.55 3ifr h LEU 380 N 0.23 0.66 -0.23 2.25 3.38 0.05 -1.22 115.31 120.43 3ifr h LEU 380 Ca -0.01 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3ifr h LEU 380 Cb 1.04 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 3ifr h LEU 380 CO 0.09 0.40 0.01 -0.33 0.09 0.00 0.00 178.44 178.71 3ifr h GLU 381 N 0.79 0.40 -0.83 1.13 5.08 -0.73 -2.36 114.58 118.06 3ifr h GLU 381 Ca 0.36 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 3ifr h GLU 381 Cb 0.27 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 3ifr h GLU 381 CO -0.22 0.57 0.55 0.00 -1.00 0.00 0.00 179.01 178.91 3ifr h ALA 382 N 0.82 1.50 -0.23 3.43 0.00 -0.80 0.42 119.26 124.41 3ifr h ALA 382 Ca 0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ifr h ALA 382 Cb 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ifr h ALA 382 CO 0.01 0.41 -0.01 0.28 0.00 0.00 0.00 179.25 179.94 3ifr h VAL 383 N 1.01 1.26 -0.54 0.00 2.07 -1.06 -0.01 116.25 118.99 3ifr h VAL 383 Ca 0.34 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.97 3ifr h VAL 383 Cb 0.06 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3ifr h VAL 383 CO -0.10 0.29 0.31 0.00 0.02 0.00 0.00 177.57 178.08 3ifr h ALA 384 N 0.79 0.69 -0.89 1.67 0.00 -0.76 -0.94 119.26 119.82 3ifr h ALA 384 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.07 3ifr h ALA 384 Cb 0.43 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 3ifr h ALA 384 CO 0.01 -0.00 0.54 -0.07 0.00 0.00 0.00 179.25 179.73 3ifr h LEU 385 N 0.60 0.80 -0.43 0.00 3.38 0.08 0.25 115.31 119.98 3ifr h LEU 385 Ca 0.22 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.25 3ifr h LEU 385 Cb 0.07 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3ifr h LEU 385 CO -0.12 0.46 0.27 0.00 0.09 0.00 0.00 178.44 179.14 3ifr h ALA 386 N 1.47 0.55 -0.67 1.53 0.00 0.01 0.25 119.26 122.41 3ifr h ALA 386 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3ifr h ALA 386 Cb 0.35 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3ifr h ALA 386 CO -0.24 -0.04 0.43 0.74 0.00 0.00 0.00 179.25 180.14 3ifr h PHE 387 N 0.54 0.86 -1.00 0.00 0.04 -0.06 -2.26 116.94 115.06 3ifr h PHE 387 Ca 0.17 0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.01 3ifr h PHE 387 Cb -0.02 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 37.78 3ifr h PHE 387 CO -0.06 0.56 0.65 -0.09 -0.60 0.00 0.00 178.31 178.77 3ifr h ARG 388 N 0.91 1.17 -0.57 1.51 2.43 -0.06 -1.07 114.38 118.70 3ifr h ARG 388 Ca 0.24 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3ifr h ARG 388 Cb -0.07 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.19 3ifr h ARG 388 CO -0.05 0.77 0.29 1.25 -1.51 0.00 0.00 179.97 180.72 3ifr h HIS 389 N 1.20 0.81 -0.60 2.20 2.76 -0.43 0.28 115.15 121.37 3ifr h HIS 389 Ca 0.42 -0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.62 3ifr h HIS 389 Cb 0.12 -0.25 -0.06 0.00 1.55 0.00 0.00 27.41 28.77 3ifr h HIS 389 CO -0.00 0.61 0.30 0.45 -1.30 0.00 0.00 177.93 177.99 3ifr h HIS 390 N 0.77 0.54 -0.32 5.26 3.86 -0.80 0.84 115.15 125.30 3ifr h HIS 390 Ca 0.20 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.41 3ifr h HIS 390 Cb 0.10 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 3ifr h HIS 390 CO -0.01 0.24 0.10 0.28 0.86 0.00 0.00 177.93 179.40 3ifr h VAL 391 N 0.56 1.21 -0.65 2.45 2.07 -0.24 0.81 116.25 122.46 3ifr h VAL 391 Ca 0.28 -0.67 0.13 0.00 0.82 0.00 0.00 66.70 67.26 3ifr h VAL 391 Cb 0.22 1.03 -0.10 0.00 -1.52 0.00 0.00 31.29 30.92 3ifr h VAL 391 CO -0.20 0.23 0.10 0.00 0.02 0.00 0.00 177.57 177.71 3ifr h ALA 392 N 0.94 0.75 -0.25 1.67 0.00 0.05 0.25 119.26 122.67 3ifr h ALA 392 Ca 0.10 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3ifr h ALA 392 Cb 0.25 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ifr h ALA 392 CO -0.00 -0.35 0.10 0.28 0.00 0.00 0.00 179.25 179.28 3ifr h VAL 393 N 0.21 1.17 -0.56 0.00 2.07 -0.36 -0.46 116.25 118.33 3ifr h VAL 393 Ca 0.35 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.42 3ifr h VAL 393 Cb 0.57 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 3ifr h VAL 393 CO -0.49 0.18 0.22 -0.07 0.02 0.00 0.00 177.57 177.43 3ifr h LEU 394 N 0.26 0.25 0.30 2.57 4.07 0.23 -1.85 115.31 121.14 3ifr h LEU 394 Ca 0.08 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 3ifr h LEU 394 Cb 0.18 0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.95 3ifr h LEU 394 CO -0.01 0.17 -0.14 -0.78 -1.08 0.00 0.00 178.44 176.60 3ifr h ASP 395 N 0.42 -0.34 -0.90 -0.43 3.58 -0.33 -1.69 116.42 116.73 3ifr h ASP 395 Ca 0.27 -0.01 0.24 0.00 0.42 0.00 0.00 57.03 57.95 3ifr h ASP 395 Cb 0.28 0.09 -0.05 0.00 1.72 0.00 0.00 39.33 41.37 3ifr h ASP 395 CO -0.25 -0.21 0.63 -0.78 -2.88 0.00 0.00 179.24 175.74 3ifr h ASP 396 N -0.43 0.16 0.92 2.28 3.58 -0.59 -1.92 116.42 120.40 3ifr h ASP 396 Ca -0.04 0.02 -0.17 0.00 0.42 0.00 0.00 57.03 57.26 3ifr h ASP 396 Cb 0.33 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 3ifr h ASP 396 CO 0.07 0.05 -1.17 0.40 -2.88 0.00 0.00 179.24 175.72 3ifr h ILE 397 N 0.15 0.73 0.00 2.25 2.04 -1.20 -3.48 117.51 118.00 3ifr h ILE 397 Ca 0.45 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 64.07 3ifr h ILE 397 Cb 1.53 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 3ifr h ILE 397 CO -0.08 0.41 0.00 0.61 0.00 0.00 0.00 178.15 179.10 3ifr n GLY 398 N 1.36 1.40 0.23 5.37 0.00 -0.72 -4.97 105.19 107.86 3ifr n GLY 398 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3ifr n GLY 398 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3ifr h HIS 399 N 0.00 0.00 -5.94 1.61 3.86 -1.50 -3.47 115.15 109.71 3ifr h HIS 399 Ca 0.00 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.84 3ifr h HIS 399 Cb 0.00 0.00 0.12 0.00 1.06 0.00 0.00 27.41 28.59 3ifr h HIS 399 CO 0.00 0.00 -0.89 0.00 0.86 0.00 0.00 177.93 177.90 3ifr n ALA 400 N -2.09 -2.41 -1.78 2.45 0.00 -1.26 -4.30 120.51 111.12 3ifr n ALA 400 Ca 0.03 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 3ifr n ALA 400 Cb 0.49 -4.21 -0.01 0.00 0.00 0.00 0.00 19.45 15.72 3ifr n ALA 400 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ifr s PRO 401 N -5.46 4.19 0.00 0.00 0.04 -1.26 -4.20 135.00 128.31 3ifr s PRO 401 Ca 0.37 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.87 3ifr s PRO 401 Cb -0.10 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.44 3ifr s PRO 401 CO 0.81 -0.43 0.00 0.00 0.04 0.00 0.00 177.00 177.42 3ifr n GLN 402 N 0.67 0.28 -3.95 4.56 10.64 0.12 -5.00 117.38 124.70 3ifr n GLN 402 Ca 0.01 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.83 3ifr n GLN 402 Cb 0.40 -0.08 -0.14 0.00 -0.86 0.00 0.00 30.24 29.55 3ifr n GLN 402 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 3ifr s ARG 403 N -0.71 3.26 -0.12 2.61 3.52 -0.58 -4.95 118.95 121.99 3ifr s ARG 403 Ca 0.00 -0.69 -0.01 0.00 -0.13 0.00 0.00 55.73 54.90 3ifr s ARG 403 Cb 0.00 -2.93 -0.02 0.00 -1.56 0.00 0.00 34.95 30.44 3ifr s ARG 403 CO 0.00 -0.22 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.14 3ifr s PHE 404 N 1.43 2.93 0.13 5.12 0.08 -1.26 -0.17 117.98 126.24 3ifr s PHE 404 Ca 0.05 -0.30 0.09 0.00 0.12 0.00 0.00 56.93 56.89 3ifr s PHE 404 Cb -0.14 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 3ifr s PHE 404 CO -0.05 0.03 -0.21 -0.06 -0.10 0.00 0.00 175.22 174.83 3ifr s PHE 405 N -0.02 1.89 -0.01 0.36 0.08 -0.18 0.47 117.98 120.57 3ifr s PHE 405 Ca -0.01 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.64 3ifr s PHE 405 Cb -0.14 -1.00 -0.00 0.00 -0.57 0.00 0.00 43.02 41.31 3ifr s PHE 405 CO 0.03 0.27 -0.08 0.00 -0.10 0.00 0.00 175.22 175.34 3ifr s ALA 406 N -1.43 0.71 0.38 5.36 0.00 0.58 -0.76 121.76 126.60 3ifr s ALA 406 Ca 0.11 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 51.80 3ifr s ALA 406 Cb -0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 3ifr s ALA 406 CO 0.05 0.15 0.22 -1.54 0.00 0.00 0.00 175.76 174.64 3ifr s SER 407 N -0.05 2.34 0.25 0.00 1.04 -0.72 -0.83 113.70 115.73 3ifr s SER 407 Ca 0.01 -1.76 0.00 0.00 0.48 0.00 0.00 55.95 54.68 3ifr s SER 407 Cb -0.05 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3ifr s SER 407 CO -0.00 -1.04 0.00 -0.67 0.98 0.00 0.00 173.24 172.51 3ifr n ASP 408 N -1.54 -1.71 -0.30 7.02 -0.08 -1.26 -2.09 116.55 116.58 3ifr n ASP 408 Ca 0.01 0.05 0.05 0.00 -1.51 0.00 0.00 54.79 53.39 3ifr n ASP 408 Cb 0.63 -0.13 0.20 0.00 2.34 0.00 0.00 41.12 44.16 3ifr n ASP 408 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3ifr h GLY 409 N -0.04 1.37 2.00 0.27 0.00 -1.85 -1.78 103.07 103.04 3ifr h GLY 409 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3ifr h GLY 409 CO 0.00 0.07 -0.07 -1.33 0.00 0.00 0.00 176.54 175.21 3ifr h GLY 410 N 0.76 0.00 1.99 4.60 0.00 -1.46 -2.09 103.07 106.87 3ifr h GLY 410 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 3ifr h GLY 410 CO -0.29 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 174.95 3ifr n THR 411 N -3.73 1.40 1.65 4.70 -2.24 -0.67 -0.81 114.28 114.58 3ifr n THR 411 Ca -0.02 0.35 0.12 0.00 -2.27 0.00 0.00 64.05 62.22 3ifr n THR 411 Cb 0.17 -1.20 0.56 0.00 -2.10 0.00 0.00 70.33 67.76 3ifr n THR 411 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3ifr n ARG 412 N -1.49 1.37 -3.37 -0.78 1.85 -0.79 -4.54 116.66 108.91 3ifr n ARG 412 Ca 0.02 -0.55 -0.45 0.00 -1.00 0.00 0.00 57.85 55.87 3ifr n ARG 412 Cb 0.10 -1.40 -0.06 0.00 -1.05 0.00 0.00 32.46 30.05 3ifr n ARG 412 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3ifr s SER 413 N -1.74 6.13 0.34 2.89 0.15 0.01 -4.93 113.70 116.55 3ifr s SER 413 Ca 0.35 -1.94 0.08 0.00 0.70 0.00 0.00 55.95 55.14 3ifr s SER 413 Cb 0.18 -2.16 0.63 0.00 -1.71 0.00 0.00 66.02 62.96 3ifr s SER 413 CO 0.28 -0.78 1.82 -0.09 1.20 0.00 0.00 173.24 175.67 3ifr h ARG 414 N 8.64 0.26 -0.72 5.44 9.65 -1.85 -1.55 114.38 134.25 3ifr h ARG 414 Ca -0.23 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 58.55 3ifr h ARG 414 Cb 1.08 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.61 3ifr h ARG 414 CO 0.96 0.49 0.39 0.28 2.80 0.00 0.00 179.97 184.89 3ifr h VAL 415 N 0.24 1.22 0.00 0.20 2.07 -1.93 0.11 116.25 118.16 3ifr h VAL 415 Ca 0.04 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3ifr h VAL 415 Cb 0.56 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3ifr h VAL 415 CO 0.04 0.25 0.00 1.87 0.02 0.00 0.00 177.57 179.74 3ifr n TRP 416 N -4.48 0.00 0.00 1.57 -0.00 -0.58 -1.41 117.44 112.54 3ifr n TRP 416 Ca 0.06 -0.10 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 3ifr n TRP 416 Cb 0.09 -0.10 0.00 0.00 -0.00 0.00 0.00 31.31 31.30 3ifr n TRP 416 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3ifr n GLY 418 N 0.39 0.00 0.83 5.87 0.00 0.40 -4.67 105.19 108.01 3ifr n GLY 418 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ifr n GLY 418 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ifr n ILE 419 N 0.00 0.00 0.00 -0.61 5.41 -0.50 -1.12 119.36 122.54 3ifr n ILE 419 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3ifr n ILE 419 Cb 0.00 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 38.64 3ifr n ILE 419 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ifr n ALA 421 N 0.77 0.00 0.16 -1.39 0.00 -1.26 -0.33 120.51 118.46 3ifr n ALA 421 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3ifr n ALA 421 Cb 0.00 0.00 0.40 0.00 0.00 0.00 0.00 19.45 19.85 3ifr n ALA 421 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3ifr h ASP 422 N 0.00 0.11 -0.00 0.00 3.32 -1.45 0.12 116.42 118.52 3ifr h ASP 422 Ca 0.00 -0.03 -0.26 0.00 0.02 0.00 0.00 57.03 56.76 3ifr h ASP 422 Cb 0.00 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 39.54 3ifr h ASP 422 CO 0.00 0.35 -1.01 0.58 -1.72 0.00 0.00 179.24 177.44 3ifr h VAL 423 N 0.10 1.28 0.00 -1.35 2.07 -0.93 -3.34 116.25 114.09 3ifr h VAL 423 Ca 0.02 -2.22 -0.08 0.00 0.82 0.00 0.00 66.70 65.24 3ifr h VAL 423 Cb 0.48 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 3ifr h VAL 423 CO 0.03 0.69 -0.43 0.25 0.02 0.00 0.00 177.57 178.13 3ifr h LEU 424 N 0.41 0.00 -1.05 2.57 5.85 -1.65 -3.47 115.31 117.97 3ifr h LEU 424 Ca -0.12 0.00 -0.51 0.00 0.84 0.00 0.00 57.88 58.09 3ifr h LEU 424 Cb 1.66 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.57 3ifr h LEU 424 CO 0.20 0.37 -0.80 0.00 -0.34 0.00 0.00 178.44 177.88 3ifr n GLN 425 N -3.17 -4.40 -4.03 1.25 1.13 0.39 -5.00 117.38 103.55 3ifr n GLN 425 Ca 0.02 0.49 -0.09 0.00 -1.94 0.00 0.00 57.00 55.48 3ifr n GLN 425 Cb 0.69 -5.30 -0.11 0.00 0.11 0.00 0.00 30.24 25.63 3ifr n GLN 425 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3ifr s ARG 426 N -6.77 0.43 0.48 -1.09 1.81 -1.25 -5.03 118.95 107.54 3ifr s ARG 426 Ca 0.69 -0.84 -0.22 0.00 -1.72 0.00 0.00 55.73 53.64 3ifr s ARG 426 Cb -0.36 0.11 -0.07 0.00 -0.45 0.00 0.00 34.95 34.18 3ifr s ARG 426 CO 0.88 -0.06 1.17 -2.14 -0.68 0.00 0.00 175.30 174.47 3ifr s PRO 427 N -2.33 3.64 -0.15 3.54 0.02 -1.26 -4.54 135.00 133.91 3ifr s PRO 427 Ca -0.07 1.78 0.02 0.00 0.02 0.00 0.00 61.00 62.74 3ifr s PRO 427 Cb -0.04 -2.32 0.01 0.00 0.02 0.00 0.00 34.50 32.17 3ifr s PRO 427 CO -0.04 -0.65 -0.20 0.08 -0.33 0.00 0.00 177.00 175.86 3ifr s VAL 428 N -1.57 2.14 -0.39 3.83 1.01 -0.23 -4.12 120.40 121.07 3ifr s VAL 428 Ca 0.66 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 61.49 3ifr s VAL 428 Cb -0.29 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.23 3ifr s VAL 428 CO 0.34 0.54 0.68 -1.58 0.00 0.00 0.00 175.10 175.08 3ifr s GLN 429 N 0.96 3.55 0.49 2.72 2.00 0.18 -0.16 119.66 129.39 3ifr s GLN 429 Ca -0.03 -0.04 -0.20 0.00 -2.00 0.00 0.00 55.36 53.09 3ifr s GLN 429 Cb -0.15 -3.86 -0.09 0.00 0.80 0.00 0.00 33.01 29.72 3ifr s GLN 429 CO -0.05 -0.87 1.01 -0.51 -0.50 0.00 0.00 175.29 174.37 3ifr s LEU 430 N 2.86 3.81 0.03 3.68 1.43 -0.02 -0.31 118.68 130.16 3ifr s LEU 430 Ca 0.26 1.82 -0.18 0.00 -1.03 0.00 0.00 54.13 54.99 3ifr s LEU 430 Cb -0.14 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.57 3ifr s LEU 430 CO 0.17 -0.70 0.41 -1.48 0.23 0.00 0.00 176.35 174.99 3ifr s LEU 431 N -3.58 0.41 0.16 1.79 0.05 -0.01 -1.81 118.68 115.70 3ifr s LEU 431 Ca 0.65 0.06 -0.07 0.00 0.05 0.00 0.00 54.13 54.82 3ifr s LEU 431 Cb -0.14 1.71 -0.06 0.00 -2.05 0.00 0.00 46.19 45.65 3ifr s LEU 431 CO 0.21 -0.63 0.43 0.00 -0.55 0.00 0.00 176.35 175.81 3ifr s ALA 432 N -2.21 3.72 -0.37 1.48 0.00 -1.23 -4.21 121.76 118.94 3ifr s ALA 432 Ca -0.07 -0.46 0.12 0.00 0.00 0.00 0.00 51.96 51.56 3ifr s ALA 432 Cb -0.01 -2.23 0.37 0.00 0.00 0.00 0.00 23.12 21.24 3ifr s ALA 432 CO -0.00 0.61 0.87 -1.71 0.00 0.00 0.00 175.76 175.53 3ifr n ASN 433 N 0.14 0.32 -4.76 0.00 4.05 -1.26 -3.95 115.26 109.80 3ifr n ASN 433 Ca -0.02 -3.02 -0.37 0.00 0.45 0.00 0.00 54.58 51.61 3ifr n ASN 433 Cb 0.52 -0.12 0.02 0.00 1.23 0.00 0.00 39.78 41.43 3ifr n ASN 433 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3ifr s PRO 434 N -2.01 3.43 -1.36 1.20 0.05 -1.26 -2.06 135.00 132.99 3ifr s PRO 434 Ca 0.33 1.96 -0.17 0.00 0.05 0.00 0.00 61.00 63.18 3ifr s PRO 434 Cb 0.37 -2.30 0.17 0.00 0.05 0.00 0.00 34.50 32.79 3ifr s PRO 434 CO -0.05 -0.87 0.43 1.28 0.05 0.00 0.00 177.00 177.84 3ifr n LEU 435 N -0.82 -0.60 -0.24 -3.56 4.77 -1.26 -4.76 117.00 110.54 3ifr n LEU 435 Ca 0.09 -0.77 0.04 0.00 -0.03 0.00 0.00 56.01 55.35 3ifr n LEU 435 Cb 0.47 -1.41 0.15 0.00 -2.33 0.00 0.00 43.42 40.30 3ifr n LEU 435 CO 0.49 0.07 0.88 1.23 -1.33 0.00 0.00 177.39 178.73 3ifr h GLY 436 N -0.62 0.88 0.89 -0.72 0.00 -1.77 0.12 103.07 101.84 3ifr h GLY 436 Ca -0.43 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3ifr h GLY 436 CO 0.65 -0.23 -0.15 1.76 0.00 0.00 0.00 176.54 178.57 3ifr h SER 437 N 0.18 -0.35 -0.60 0.19 0.02 -1.83 0.20 113.55 111.36 3ifr h SER 437 Ca 0.39 -0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.34 3ifr h SER 437 Cb 0.67 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.26 3ifr h SER 437 CO -0.56 -0.16 0.40 0.00 -1.14 0.00 0.00 176.83 175.38 3ifr h ALA 438 N 0.13 1.82 -0.16 3.77 0.00 -1.67 -1.46 119.26 121.69 3ifr h ALA 438 Ca -0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3ifr h ALA 438 Cb 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ifr h ALA 438 CO 0.07 0.08 -0.31 0.28 0.00 0.00 0.00 179.25 179.37 3ifr h VAL 439 N 0.58 1.35 -0.86 0.00 2.07 -0.20 -1.01 116.25 118.18 3ifr h VAL 439 Ca 0.26 -1.56 0.02 0.00 0.82 0.00 0.00 66.70 66.24 3ifr h VAL 439 Cb 0.29 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 3ifr h VAL 439 CO -0.08 0.47 0.57 1.23 0.02 0.00 0.00 177.57 179.78 3ifr h GLY 440 N 0.13 1.21 1.00 2.17 0.00 -0.26 -1.56 103.07 105.75 3ifr h GLY 440 Ca 0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3ifr h GLY 440 CO 0.07 0.41 -0.03 0.00 0.00 0.00 0.00 176.54 176.99 3ifr h ALA 441 N 1.48 -0.08 -0.73 3.60 0.00 -1.08 -2.75 119.26 119.69 3ifr h ALA 441 Ca 0.32 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.37 3ifr h ALA 441 Cb -0.07 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.64 3ifr h ALA 441 CO -0.08 -0.54 0.21 0.00 0.00 0.00 0.00 179.25 178.83 3ifr h ALA 442 N 0.85 0.97 -0.65 0.00 0.00 -0.60 -0.99 119.26 118.84 3ifr h ALA 442 Ca -0.01 0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3ifr h ALA 442 Cb 0.07 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3ifr h ALA 442 CO 0.01 -0.31 0.43 -1.49 0.00 0.00 0.00 179.25 177.89 3ifr h TRP 443 N 0.31 0.63 -0.53 0.00 4.06 -1.03 -0.07 115.95 119.32 3ifr h TRP 443 Ca 0.41 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 61.35 3ifr h TRP 443 Cb 0.68 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.61 3ifr h TRP 443 CO -0.24 0.33 0.21 0.28 -3.56 0.00 0.00 178.44 175.46 3ifr h VAL 444 N 0.62 1.22 -0.09 1.49 2.07 -0.92 -1.48 116.25 119.16 3ifr h VAL 444 Ca 0.28 -0.69 -0.15 0.00 0.82 0.00 0.00 66.70 66.97 3ifr h VAL 444 Cb 0.32 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3ifr h VAL 444 CO -0.09 0.26 -0.59 0.00 0.02 0.00 0.00 177.57 177.17 3ifr h ALA 445 N 1.05 0.83 -0.42 1.67 0.00 -1.18 -2.37 119.26 118.85 3ifr h ALA 445 Ca 0.18 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3ifr h ALA 445 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ifr h ALA 445 CO -0.01 0.72 0.27 0.00 0.00 0.00 0.00 179.25 180.22 3ifr h ALA 446 N 1.16 0.53 0.00 0.00 0.00 -0.45 -2.06 119.26 118.44 3ifr h ALA 446 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ifr h ALA 446 Cb 1.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3ifr h ALA 446 CO 0.09 0.00 0.00 0.82 0.00 0.00 0.00 179.25 180.17 3ifr h ILE 447 N 0.56 0.00 0.00 0.00 2.04 -1.20 -2.87 117.51 116.03 3ifr h ILE 447 Ca 0.15 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3ifr h ILE 447 Cb -0.04 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3ifr h ILE 447 CO -0.03 0.00 -0.59 0.61 0.00 0.00 0.00 178.15 178.14 3ifr n GLY 448 N 0.63 -1.36 0.69 5.37 0.00 -0.90 -2.77 105.19 106.85 3ifr n GLY 448 Ca 0.03 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.90 3ifr n GLY 448 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ifr n GLY 449 N 1.39 0.45 0.00 -0.02 0.00 -0.81 -4.68 105.19 101.52 3ifr n GLY 449 Ca 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3ifr n GLY 449 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ifr n GLY 450 N 1.25 0.13 1.77 -0.02 0.00 -1.24 -4.96 105.19 102.12 3ifr n GLY 450 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3ifr n GLY 450 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ifr n ASP 451 N 0.00 -0.62 -0.16 1.61 9.92 -1.12 -4.51 116.55 121.68 3ifr n ASP 451 Ca 0.00 0.31 0.12 0.00 -0.53 0.00 0.00 54.79 54.68 3ifr n ASP 451 Cb 0.00 -0.67 0.15 0.00 -0.64 0.00 0.00 41.12 39.96 3ifr n ASP 451 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3ifr n ASP 452 N -0.82 1.05 -4.49 -2.24 5.75 -1.26 -4.76 116.55 109.78 3ifr n ASP 452 Ca 0.00 -0.84 -0.31 0.00 -0.01 0.00 0.00 54.79 53.63 3ifr n ASP 452 Cb 0.31 0.44 -0.12 0.00 -1.03 0.00 0.00 41.12 40.72 3ifr n ASP 452 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3ifr s LEU 453 N -2.77 2.74 0.34 -2.12 1.43 -1.26 -5.14 118.68 111.90 3ifr s LEU 453 Ca 0.15 -0.36 0.09 0.00 -1.03 0.00 0.00 54.13 52.98 3ifr s LEU 453 Cb 0.18 -1.59 -0.06 0.00 0.03 0.00 0.00 46.19 44.75 3ifr s LEU 453 CO 0.67 0.26 -0.03 -0.83 0.23 0.00 0.00 176.35 176.65 3ifr s GLY 454 N -1.45 2.12 0.15 -3.19 0.00 -1.26 -4.73 107.32 98.95 3ifr s GLY 454 Ca 0.15 -2.01 -0.21 0.00 0.00 0.00 0.00 44.72 42.66 3ifr s GLY 454 CO 0.06 -1.95 1.65 1.49 0.00 0.00 0.00 173.10 174.35 3ifr h TRP 455 N 1.89 -0.45 0.00 1.90 4.06 -1.98 0.69 115.95 122.06 3ifr h TRP 455 Ca -0.42 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.56 3ifr h TRP 455 Cb 1.25 0.24 0.00 0.00 -1.00 0.00 0.00 29.16 29.65 3ifr h TRP 455 CO 0.73 -0.25 0.00 -0.25 -3.56 0.00 0.00 178.44 175.11 3ifr n ASP 456 N -5.34 0.00 -1.86 -3.49 10.43 -1.26 -2.08 116.55 112.95 3ifr n ASP 456 Ca -0.01 0.00 -0.17 0.00 2.57 0.00 0.00 54.79 57.19 3ifr n ASP 456 Cb 0.25 0.00 0.05 0.00 1.84 0.00 0.00 41.12 43.26 3ifr n ASP 456 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3ifr n ASP 457 N 0.00 5.87 0.00 -2.24 8.00 0.23 -5.13 116.55 123.29 3ifr n ASP 457 Ca 0.00 -3.06 0.00 0.00 0.71 0.00 0.00 54.79 52.44 3ifr n ASP 457 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 3ifr n ASP 457 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3ifr n VAL 458 N 0.11 0.00 -4.37 2.53 0.31 -0.88 -4.93 118.33 111.11 3ifr n VAL 458 Ca 0.32 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.41 3ifr n VAL 458 Cb 0.70 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.51 3ifr n VAL 458 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ifr s ARG 463 N 0.00 1.37 0.79 5.55 1.70 -1.25 -4.99 118.95 122.13 3ifr s ARG 463 Ca 0.00 -1.45 -0.14 0.00 -0.47 0.00 0.00 55.73 53.68 3ifr s ARG 463 Cb 0.00 -1.56 0.08 0.00 -0.57 0.00 0.00 34.95 32.90 3ifr s ARG 463 CO 0.00 0.33 1.22 -0.08 -1.08 0.00 0.00 175.30 175.69 3ifr s THR 464 N -1.84 2.01 0.00 4.99 -1.32 -1.26 -3.52 115.64 114.70 3ifr s THR 464 Ca 0.17 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 3ifr s THR 464 Cb -0.07 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 3ifr s THR 464 CO 0.08 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 3ifr n GLY 465 N 0.57 5.31 3.73 6.08 0.00 -0.75 -4.92 105.19 115.21 3ifr n GLY 465 Ca 0.14 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 3ifr n GLY 465 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ifr s GLU 466 N 4.76 4.31 -0.32 1.61 2.12 -1.26 -4.68 118.70 125.24 3ifr s GLU 466 Ca 0.00 2.15 -0.12 0.00 0.36 0.00 0.00 54.97 57.36 3ifr s GLU 466 Cb 0.00 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 3ifr s GLU 466 CO 0.00 -0.41 0.22 0.21 -0.54 0.00 0.00 175.26 174.74 3ifr s LYS 467 N 0.53 3.64 -0.13 4.30 2.20 -1.26 -0.84 119.74 128.17 3ifr s LYS 467 Ca 0.62 -0.54 -0.07 0.00 -0.36 0.00 0.00 55.97 55.62 3ifr s LYS 467 Cb -0.39 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.15 3ifr s LYS 467 CO 0.35 -0.35 0.12 0.42 -0.36 0.00 0.00 175.35 175.52 3ifr s ILE 468 N 1.73 5.33 -0.05 5.43 1.01 0.77 -4.91 121.20 130.51 3ifr s ILE 468 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.86 3ifr s ILE 468 Cb -0.17 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 3ifr s ILE 468 CO 0.10 0.58 -0.03 0.28 0.00 0.00 0.00 174.94 175.88 3ifr s THR 469 N -0.74 4.02 0.46 2.92 -1.32 -1.26 -1.07 115.64 118.66 3ifr s THR 469 Ca 0.13 -0.46 -0.21 0.00 -1.21 0.00 0.00 61.69 59.94 3ifr s THR 469 Cb -0.12 -2.71 -0.09 0.00 -1.51 0.00 0.00 72.50 68.07 3ifr s THR 469 CO 0.03 0.52 1.04 -2.84 -2.21 0.00 0.00 174.62 171.16 3ifr s PRO 470 N -1.09 3.90 -0.36 7.08 0.02 -1.26 -4.87 135.00 138.42 3ifr s PRO 470 Ca 0.15 1.38 -0.25 0.00 0.02 0.00 0.00 61.00 62.30 3ifr s PRO 470 Cb -0.11 -2.19 0.01 0.00 0.02 0.00 0.00 34.50 32.23 3ifr s PRO 470 CO 0.05 -0.35 0.89 0.34 -0.33 0.00 0.00 177.00 177.59 3ifr s ASP 471 N -1.90 6.67 0.46 2.53 3.68 -1.26 -4.93 116.67 121.92 3ifr s ASP 471 Ca 0.65 0.58 0.31 0.00 2.13 0.00 0.00 52.55 56.22 3ifr s ASP 471 Cb -0.17 -2.45 1.40 0.00 -1.45 0.00 0.00 42.92 40.25 3ifr s ASP 471 CO 0.21 -0.80 1.94 -0.65 0.13 0.00 0.00 175.17 176.00 3ifr h PRO 472 N 8.40 0.00 0.00 4.34 0.11 -1.97 -1.18 132.00 141.71 3ifr h PRO 472 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3ifr h PRO 472 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3ifr h PRO 472 CO 0.96 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.75 3ifr h ALA 473 N 2.08 1.00 -0.14 -0.75 0.00 -1.99 -2.54 119.26 116.92 3ifr h ALA 473 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ifr h ALA 473 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ifr h ALA 473 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 3ifr n LYS 474 N -2.92 2.04 -0.05 0.00 4.01 -0.45 -4.12 118.16 116.68 3ifr n LYS 474 Ca -0.00 -1.53 -0.07 0.00 -0.51 0.00 0.00 58.31 56.19 3ifr n LYS 474 Cb 0.21 -1.46 0.11 0.00 -0.51 0.00 0.00 35.03 33.38 3ifr n LYS 474 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ifr h ALA 475 N 4.40 0.89 0.05 7.82 0.00 -1.60 -2.54 119.26 128.29 3ifr h ALA 475 Ca 0.00 -0.39 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 3ifr h ALA 475 Cb 0.73 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3ifr h ALA 475 CO 0.00 0.62 -1.05 1.05 0.00 0.00 0.00 179.25 179.87 3ifr h GLU 476 N 0.57 0.31 -0.07 0.00 4.11 -1.80 -0.50 114.58 117.20 3ifr h GLU 476 Ca 0.07 -0.40 0.03 0.00 0.07 0.00 0.00 59.36 59.12 3ifr h GLU 476 Cb 0.79 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 3ifr h GLU 476 CO 0.06 1.12 -0.09 0.28 0.07 0.00 0.00 179.01 180.45 3ifr h VAL 477 N 0.14 0.74 0.00 -1.06 2.07 -1.80 -2.45 116.25 113.89 3ifr h VAL 477 Ca -0.09 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.29 3ifr h VAL 477 Cb 1.72 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 3ifr h VAL 477 CO 0.17 0.00 -0.63 1.88 0.02 0.00 0.00 177.57 179.02 3ifr h TYR 478 N -0.13 0.00 -0.72 1.57 0.05 -1.39 -1.76 116.97 114.59 3ifr h TYR 478 Ca 0.06 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.77 3ifr h TYR 478 Cb 0.22 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 3ifr h TYR 478 CO -0.19 0.63 0.19 -0.44 -1.05 0.00 0.00 178.16 177.29 3ifr h ASP 479 N 0.00 1.08 -0.24 3.88 5.19 -1.09 -0.95 116.42 124.29 3ifr h ASP 479 Ca -0.01 -0.23 -0.11 0.00 -0.62 0.00 0.00 57.03 56.07 3ifr h ASP 479 Cb 1.37 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.59 3ifr h ASP 479 CO 0.08 1.02 -0.27 0.08 -3.12 0.00 0.00 179.24 177.04 3ifr h ARG 480 N 1.08 0.61 -0.13 3.56 -0.00 -1.28 -2.58 114.38 115.64 3ifr h ARG 480 Ca 0.23 -0.33 0.03 0.00 -0.00 0.00 0.00 59.98 59.90 3ifr h ARG 480 Cb 0.36 0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.34 3ifr h ARG 480 CO 0.00 0.93 0.09 1.25 -0.00 0.00 0.00 179.97 182.24 3ifr h LEU 481 N 0.31 0.04 -0.26 0.08 5.85 -1.28 -0.31 115.31 119.74 3ifr h LEU 481 Ca 0.03 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 3ifr h LEU 481 Cb 0.84 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3ifr h LEU 481 CO 0.07 0.03 -0.78 0.22 -0.34 0.00 0.00 178.44 177.64 3ifr h TYR 482 N 0.05 0.00 -0.13 1.25 3.20 -1.02 0.61 116.97 120.93 3ifr h TYR 482 Ca 0.06 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.77 3ifr h TYR 482 Cb 0.17 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.44 3ifr h TYR 482 CO -0.00 0.78 -0.51 0.00 -1.64 0.00 0.00 178.16 176.79 3ifr h ARG 483 N 0.00 0.58 0.23 1.82 3.08 -0.90 -0.92 114.38 118.28 3ifr h ARG 483 Ca -0.01 -0.45 0.01 0.00 0.07 0.00 0.00 59.98 59.60 3ifr h ARG 483 Cb 1.48 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.58 3ifr h ARG 483 CO 0.10 1.07 -0.35 -0.44 -1.07 0.00 0.00 179.97 179.28 3ifr h ASP 484 N 0.22 -1.00 -0.94 7.04 3.32 -1.01 0.11 116.42 124.16 3ifr h ASP 484 Ca -0.03 0.10 0.16 0.00 0.02 0.00 0.00 57.03 57.29 3ifr h ASP 484 Cb 1.14 0.36 -0.16 0.00 0.22 0.00 0.00 39.33 40.89 3ifr h ASP 484 CO 0.11 -0.46 -0.32 0.15 -1.72 0.00 0.00 179.24 176.99 3ifr h PHE 485 N -0.65 -0.84 -0.36 4.55 3.57 -0.88 0.81 116.94 123.13 3ifr h PHE 485 Ca 0.00 0.10 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 3ifr h PHE 485 Cb 0.64 0.51 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 3ifr h PHE 485 CO -0.26 -0.41 -0.30 0.77 -2.23 0.00 0.00 178.31 175.88 3ifr h SER 486 N -0.02 0.81 -0.27 0.41 0.02 -0.93 -2.73 113.55 110.85 3ifr h SER 486 Ca 0.38 -0.33 -0.14 0.00 -0.84 0.00 0.00 61.79 60.86 3ifr h SER 486 Cb 0.63 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3ifr h SER 486 CO -0.96 1.05 -0.35 0.00 -1.14 0.00 0.00 176.83 175.44 3ifr h ALA 487 N 1.00 0.72 0.02 3.77 0.00 0.96 -0.80 119.26 124.93 3ifr h ALA 487 Ca 0.08 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3ifr h ALA 487 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ifr h ALA 487 CO 0.07 0.66 -0.01 1.25 0.00 0.00 0.00 179.25 181.22 3ifr h LEU 488 N 0.67 -0.02 0.09 0.00 5.85 0.64 0.28 115.31 122.82 3ifr h LEU 488 Ca 0.07 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3ifr h LEU 488 Cb 0.90 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 3ifr h LEU 488 CO 0.08 0.05 -0.09 0.22 -0.34 0.00 0.00 178.44 178.36 3ifr h TYR 489 N -0.09 -0.24 -0.81 1.25 3.20 -1.39 -0.46 116.97 118.43 3ifr h TYR 489 Ca -0.00 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.03 3ifr h TYR 489 Cb 0.08 0.09 -0.10 0.00 1.54 0.00 0.00 36.73 38.35 3ifr h TYR 489 CO -0.06 -0.15 0.36 0.00 -1.64 0.00 0.00 178.16 176.67 3ifr h ALA 490 N 0.68 1.19 -0.15 1.82 0.00 -1.00 -1.89 119.26 119.91 3ifr h ALA 490 Ca 0.00 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3ifr h ALA 490 Cb 0.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ifr h ALA 490 CO -0.03 -0.20 -0.47 1.15 0.00 0.00 0.00 179.25 179.70 3ifr h THR 491 N 0.49 1.33 -0.46 0.00 2.02 0.70 -3.11 112.91 113.87 3ifr h THR 491 Ca 0.45 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.95 3ifr h THR 491 Cb 0.71 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3ifr h THR 491 CO -0.41 0.51 0.00 0.18 0.37 0.00 0.00 175.52 176.17 3ifr n LEU 492 N -3.98 3.37 0.06 2.58 4.77 -0.29 -4.27 117.00 119.23 3ifr n LEU 492 Ca -0.02 -1.52 -0.13 0.00 -0.03 0.00 0.00 56.01 54.31 3ifr n LEU 492 Cb 0.54 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.25 3ifr n LEU 492 CO 0.44 0.76 0.58 -0.74 -1.33 0.00 0.00 177.39 177.11 3ifr h HIS 493 N 4.15 -0.17 -0.43 -1.77 2.76 -1.27 0.35 115.15 118.77 3ifr h HIS 493 Ca 0.00 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 3ifr h HIS 493 Cb 0.92 0.06 -0.09 0.00 1.55 0.00 0.00 27.41 29.84 3ifr h HIS 493 CO 0.30 0.22 -0.37 -1.35 -1.30 0.00 0.00 177.93 175.44 3ifr h PRO 494 N -0.61 -0.26 -0.69 5.26 0.11 -1.77 -1.45 132.00 132.59 3ifr h PRO 494 Ca -0.02 0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.22 3ifr h PRO 494 Cb 0.47 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 31.56 3ifr h PRO 494 CO 0.03 -0.17 0.30 0.35 -0.21 0.00 0.00 178.00 178.30 3ifr h PHE 495 N -0.27 0.53 -0.57 0.65 3.57 -1.79 -1.07 116.94 117.98 3ifr h PHE 495 Ca 0.17 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 3ifr h PHE 495 Cb 0.56 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 3ifr h PHE 495 CO -0.59 0.14 0.11 0.74 -2.23 0.00 0.00 178.31 176.49 3ifr h PHE 496 N 0.50 0.94 0.00 0.41 0.04 0.11 -2.91 116.94 116.03 3ifr h PHE 496 Ca 0.36 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 61.02 3ifr h PHE 496 Cb 0.45 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.33 3ifr h PHE 496 CO -0.14 0.80 -0.40 0.72 -0.60 0.00 0.00 178.31 178.69 3ifr n HIS 497 N -4.25 0.03 0.00 -0.55 8.25 -0.82 -4.93 115.22 112.96 3ifr n HIS 497 Ca 0.04 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3ifr n HIS 497 Cb 0.25 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.04 3ifr n HIS 497 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87