#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3km3 n GLY -1 N 0.00 -3.75 3.85 -1.23 0.00 -1.26 -4.97 105.19 97.83 3km3 n GLY -1 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 3km3 n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3km3 s SER 0 N -0.77 5.42 0.06 1.61 1.04 -1.26 -4.82 113.70 114.97 3km3 s SER 0 Ca 0.00 1.33 0.08 0.00 0.48 0.00 0.00 55.95 57.84 3km3 s SER 0 Cb 0.00 -2.19 -0.03 0.00 0.10 0.00 0.00 66.02 63.89 3km3 s SER 0 CO 0.00 -1.38 -0.19 -0.04 0.98 0.00 0.00 173.24 172.61 3km3 s MET 1 N -5.21 1.97 0.21 4.02 -1.94 -1.26 -4.23 119.30 112.86 3km3 s MET 1 Ca 0.58 -1.04 0.05 0.00 -1.71 0.00 0.00 55.69 53.57 3km3 s MET 1 Cb -0.12 -2.15 -0.05 0.00 2.01 0.00 0.00 34.83 34.52 3km3 s MET 1 CO 0.53 0.52 -0.06 -1.12 -0.01 0.00 0.00 175.02 174.89 3km3 s SER 2 N -1.58 2.10 -0.03 3.03 0.01 0.03 -4.79 113.70 112.47 3km3 s SER 2 Ca 0.15 -1.13 -0.30 0.00 1.31 0.00 0.00 55.95 55.98 3km3 s SER 2 Cb -0.10 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 3km3 s SER 2 CO 0.06 -0.38 1.11 -0.69 0.41 0.00 0.00 173.24 173.74 3km3 s VAL 3 N -3.26 4.47 0.16 3.43 1.01 -1.26 -0.94 120.40 124.02 3km3 s VAL 3 Ca 0.25 1.77 -0.05 0.00 0.00 0.00 0.00 61.98 63.95 3km3 s VAL 3 Cb 0.04 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 3km3 s VAL 3 CO 0.07 0.06 0.40 -0.04 0.00 0.00 0.00 175.10 175.59 3km3 s MET 4 N 1.67 3.63 0.57 2.72 1.00 0.43 -4.96 119.30 124.36 3km3 s MET 4 Ca 0.54 -0.07 -0.07 0.00 0.00 0.00 0.00 55.69 56.09 3km3 s MET 4 Cb -0.23 -2.82 -0.01 0.00 0.00 0.00 0.00 34.83 31.77 3km3 s MET 4 CO 0.24 0.43 0.91 -1.25 0.00 0.00 0.00 175.02 175.35 3km3 s PRO 5 N -2.78 3.21 0.23 2.03 0.04 -1.26 -4.43 135.00 132.04 3km3 s PRO 5 Ca 0.42 0.23 -0.11 0.00 0.04 0.00 0.00 61.00 61.58 3km3 s PRO 5 Cb -0.12 -2.25 0.33 0.00 0.04 0.00 0.00 34.50 32.51 3km3 s PRO 5 CO 0.25 -0.57 1.39 -0.40 0.04 0.00 0.00 177.00 177.71 3km3 n ASP 6 N -2.56 -0.42 0.07 6.66 5.68 0.49 -1.54 116.55 124.93 3km3 n ASP 6 Ca 0.04 1.54 0.03 0.00 -0.50 0.00 0.00 54.79 55.90 3km3 n ASP 6 Cb 0.56 -0.42 0.39 0.00 -1.14 0.00 0.00 41.12 40.52 3km3 n ASP 6 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 3km3 h HIS 7 N 0.00 0.37 -0.30 2.11 2.07 -1.91 0.33 115.15 117.82 3km3 h HIS 7 Ca 0.38 -0.02 -0.11 0.00 -2.85 0.00 0.00 60.37 57.77 3km3 h HIS 7 Cb 0.60 -0.11 -0.01 0.00 2.57 0.00 0.00 27.41 30.47 3km3 h HIS 7 CO -0.72 0.37 -0.24 2.35 -3.07 0.00 0.00 177.93 176.62 3km3 h TRP 8 N 0.36 0.82 -0.56 6.12 7.01 -1.65 -2.32 115.95 125.73 3km3 h TRP 8 Ca 0.08 -0.23 0.00 0.00 2.11 0.00 0.00 58.89 60.85 3km3 h TRP 8 Cb 0.23 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.08 3km3 h TRP 8 CO 0.01 0.96 0.35 0.82 -2.79 0.00 0.00 178.44 177.79 3km3 h ILE 9 N 0.45 1.16 -0.18 2.65 2.04 -0.62 -1.76 117.51 121.24 3km3 h ILE 9 Ca 0.06 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.62 3km3 h ILE 9 Cb 0.79 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3km3 h ILE 9 CO 0.06 0.16 -0.01 0.50 0.00 0.00 0.00 178.15 178.86 3km3 h LYS 10 N 0.75 0.05 -0.70 2.37 3.64 -0.91 0.02 116.57 121.79 3km3 h LYS 10 Ca 0.20 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3km3 h LYS 10 Cb -0.05 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3km3 h LYS 10 CO -0.04 0.03 0.41 0.93 -2.27 0.00 0.00 179.45 178.51 3km3 h GLU 11 N 0.05 0.95 -0.46 1.90 5.08 -1.22 0.89 114.58 121.77 3km3 h GLU 11 Ca 0.08 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3km3 h GLU 11 Cb 0.11 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3km3 h GLU 11 CO -0.15 0.69 -0.01 0.00 -1.00 0.00 0.00 179.01 178.54 3km3 h ARG 12 N 0.95 0.77 0.13 2.33 2.47 -1.07 0.25 114.38 120.21 3km3 h ARG 12 Ca 0.25 -0.21 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 3km3 h ARG 12 Cb -0.02 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.22 3km3 h ARG 12 CO -0.05 0.79 -0.06 0.00 0.56 0.00 0.00 179.97 181.21 3km3 h ALA 13 N 1.27 -0.17 -0.23 0.04 0.00 -0.25 -0.89 119.26 119.03 3km3 h ALA 13 Ca 0.14 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3km3 h ALA 13 Cb 0.46 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3km3 h ALA 13 CO 0.02 -0.39 -0.24 -0.07 0.00 0.00 0.00 179.25 178.57 3km3 h LEU 14 N -0.58 0.61 0.06 0.00 3.38 -0.82 -2.23 115.31 115.73 3km3 h LEU 14 Ca -0.02 -0.48 -0.32 0.00 0.09 0.00 0.00 57.88 57.15 3km3 h LEU 14 Cb 0.45 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3km3 h LEU 14 CO 0.03 0.96 -1.79 0.11 0.09 0.00 0.00 178.44 177.84 3km3 h LYS 15 N 0.26 0.13 -0.15 1.13 1.57 -0.60 -3.40 116.57 115.51 3km3 h LYS 15 Ca 0.04 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3km3 h LYS 15 Cb 0.79 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3km3 h LYS 15 CO 0.06 0.84 0.00 -0.25 -0.57 0.00 0.00 179.45 179.53 3km3 n ASP 16 N -3.26 2.33 -1.82 0.86 8.00 -0.38 -4.98 116.55 117.29 3km3 n ASP 16 Ca -0.22 -1.68 -0.16 0.00 0.71 0.00 0.00 54.79 53.45 3km3 n ASP 16 Cb 1.05 -0.09 -0.00 0.00 -0.02 0.00 0.00 41.12 42.05 3km3 n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3km3 n GLY 17 N 0.59 -0.26 0.22 0.44 0.00 -0.84 -4.91 105.19 100.43 3km3 n GLY 17 Ca 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 3km3 n GLY 17 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3km3 h MET 18 N -0.11 0.31 -3.78 1.61 -1.53 -1.46 -3.33 114.93 106.63 3km3 h MET 18 Ca -0.37 -0.11 -0.37 0.00 -3.44 0.00 0.00 59.70 55.41 3km3 h MET 18 Cb 1.27 -0.02 -0.35 0.00 -0.55 0.00 0.00 31.60 31.95 3km3 h MET 18 CO 0.43 0.56 -0.76 0.42 0.14 0.00 0.00 176.91 177.70 3km3 s ILE 19 N -4.44 0.28 -0.20 1.77 1.01 -1.26 -0.75 121.20 117.62 3km3 s ILE 19 Ca -0.05 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.53 3km3 s ILE 19 Cb 0.14 -0.37 0.07 0.00 0.01 0.00 0.00 42.46 42.30 3km3 s ILE 19 CO 0.76 0.18 0.48 -0.55 0.00 0.00 0.00 174.94 175.82 3km3 s SER 20 N 1.14 -0.63 0.74 3.58 0.15 -0.17 -4.10 113.70 114.41 3km3 s SER 20 Ca -0.08 1.06 -0.12 0.00 0.70 0.00 0.00 55.95 57.51 3km3 s SER 20 Cb -0.14 0.95 0.04 0.00 -1.71 0.00 0.00 66.02 65.17 3km3 s SER 20 CO -0.02 -0.21 1.10 -2.16 1.20 0.00 0.00 173.24 173.16 3km3 s PRO 21 N 1.50 2.41 -0.06 5.44 0.04 -1.26 0.77 135.00 143.84 3km3 s PRO 21 Ca -0.09 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.23 3km3 s PRO 21 Cb -0.08 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.56 3km3 s PRO 21 CO -0.15 -1.54 -0.13 0.12 0.04 0.00 0.00 177.00 175.34 3km3 s PHE 22 N -2.69 1.51 -0.10 0.56 5.36 -1.26 -4.84 117.98 116.53 3km3 s PHE 22 Ca 0.63 -0.52 0.04 0.00 -0.96 0.00 0.00 56.93 56.12 3km3 s PHE 22 Cb -0.19 -1.08 0.00 0.00 -0.34 0.00 0.00 43.02 41.41 3km3 s PHE 22 CO 0.51 -0.24 -0.24 0.08 -1.46 0.00 0.00 175.22 173.87 3km3 s VAL 23 N 0.48 2.05 -0.41 3.12 1.01 -1.26 -5.03 120.40 120.36 3km3 s VAL 23 Ca -0.12 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 60.93 3km3 s VAL 23 Cb -0.14 -1.77 0.55 0.00 0.00 0.00 0.00 36.38 35.01 3km3 s VAL 23 CO 0.03 0.56 1.48 -0.90 0.00 0.00 0.00 175.10 176.27 3km3 n ASP 24 N 3.52 4.09 -3.65 3.32 3.85 -1.26 -2.28 116.55 124.14 3km3 n ASP 24 Ca -0.19 -2.83 -0.04 0.00 -0.71 0.00 0.00 54.79 51.02 3km3 n ASP 24 Cb 0.53 -0.67 -0.01 0.00 -1.35 0.00 0.00 41.12 39.62 3km3 n ASP 24 CO 0.00 0.00 0.00 -1.38 -1.01 0.00 0.00 177.20 174.81 3km3 s HIS 25 N -2.28 -0.08 0.01 2.11 -3.43 -1.26 -4.69 115.29 105.67 3km3 s HIS 25 Ca 0.39 -0.27 -0.30 0.00 -0.80 0.00 0.00 55.06 54.08 3km3 s HIS 25 Cb 0.31 0.67 -0.06 0.00 -1.43 0.00 0.00 32.58 32.07 3km3 s HIS 25 CO 0.10 -0.92 1.37 0.21 -2.00 0.00 0.00 174.74 173.50 3km3 s LYS 26 N -3.09 4.30 0.16 -0.38 2.20 -1.25 -3.18 119.74 118.50 3km3 s LYS 26 Ca 0.14 1.95 0.04 0.00 -0.36 0.00 0.00 55.97 57.73 3km3 s LYS 26 Cb -0.02 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 3km3 s LYS 26 CO 0.04 -0.53 -0.07 -2.00 -0.36 0.00 0.00 175.35 172.43 3km3 s GLU 27 N 2.14 1.09 0.00 4.03 2.56 0.50 -4.97 118.70 124.06 3km3 s GLU 27 Ca 0.63 -1.49 0.00 0.00 0.00 0.00 0.00 54.97 54.11 3km3 s GLU 27 Cb -0.31 -0.53 0.00 0.00 2.00 0.00 0.00 34.13 35.29 3km3 s GLU 27 CO 0.27 0.01 0.00 0.41 -0.56 0.00 0.00 175.26 175.38 3km3 n GLY 28 N -0.23 1.71 3.84 -1.50 0.00 -1.26 -1.73 105.19 106.02 3km3 n GLY 28 Ca -0.09 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 3km3 n GLY 28 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3km3 s THR 29 N -2.46 4.81 0.00 2.61 -1.32 -1.26 -4.77 115.64 113.25 3km3 s THR 29 Ca 0.00 0.89 0.00 0.00 -1.21 0.00 0.00 61.69 61.37 3km3 s THR 29 Cb 0.00 -3.75 0.00 0.00 -1.51 0.00 0.00 72.50 67.24 3km3 s THR 29 CO 0.00 0.22 0.00 0.61 -2.21 0.00 0.00 174.62 173.24 3km3 n GLY 30 N 0.74 -1.86 0.23 6.08 0.00 -1.26 -4.47 105.19 104.65 3km3 n GLY 30 Ca -0.04 -1.66 0.13 0.00 0.00 0.00 0.00 46.02 44.45 3km3 n GLY 30 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3km3 h VAL 31 N 0.00 0.11 -2.30 1.61 -1.51 -2.01 -3.36 116.25 108.79 3km3 h VAL 31 Ca 0.00 -0.93 -0.80 0.00 -1.23 0.00 0.00 66.70 63.74 3km3 h VAL 31 Cb 0.00 1.85 -0.25 0.00 -2.13 0.00 0.00 31.29 30.76 3km3 h VAL 31 CO 0.00 0.05 1.19 0.18 -1.23 0.00 0.00 177.57 177.76 3km3 n LEU 32 N -3.13 7.04 -4.88 4.19 7.99 -1.26 -4.99 117.00 121.96 3km3 n LEU 32 Ca 0.02 -5.20 -0.30 0.00 -0.01 0.00 0.00 56.01 50.52 3km3 n LEU 32 Cb 0.46 -1.26 0.06 0.00 -0.11 0.00 0.00 43.42 42.58 3km3 n LEU 32 CO 0.32 1.86 0.76 -0.94 -1.51 0.00 0.00 177.39 177.88 3km3 s SER 33 N -1.14 5.11 0.21 -1.43 1.04 -1.26 -1.24 113.70 114.99 3km3 s SER 33 Ca 0.38 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.84 3km3 s SER 33 Cb 0.13 -1.73 -0.05 0.00 0.10 0.00 0.00 66.02 64.47 3km3 s SER 33 CO -0.02 -1.55 0.08 -0.72 0.98 0.00 0.00 173.24 172.01 3km3 s TYR 34 N -3.42 1.29 0.00 5.02 -0.85 -0.71 -3.81 117.35 114.88 3km3 s TYR 34 Ca 0.59 -1.21 0.00 0.00 -0.52 0.00 0.00 57.07 55.94 3km3 s TYR 34 Cb -0.11 -0.72 0.00 0.00 0.38 0.00 0.00 41.96 41.51 3km3 s TYR 34 CO 0.51 -0.41 0.00 0.41 -1.52 0.00 0.00 175.55 174.54 3km3 n GLY 35 N -0.32 -0.34 3.76 5.49 0.00 0.01 -0.37 105.19 113.42 3km3 n GLY 35 Ca -0.01 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.38 3km3 n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3km3 s LEU 36 N 0.00 4.51 0.40 0.99 2.96 -0.97 -0.84 118.68 125.74 3km3 s LEU 36 Ca 0.00 2.31 0.05 0.00 -0.22 0.00 0.00 54.13 56.27 3km3 s LEU 36 Cb 0.00 -3.66 -0.06 0.00 0.50 0.00 0.00 46.19 42.96 3km3 s LEU 36 CO 0.00 -0.21 0.03 -0.55 -1.32 0.00 0.00 176.35 174.29 3km3 s SER 37 N -0.87 3.51 0.36 3.68 0.15 0.04 -3.77 113.70 116.81 3km3 s SER 37 Ca 0.46 -1.43 0.08 0.00 0.70 0.00 0.00 55.95 55.76 3km3 s SER 37 Cb -0.32 -0.15 0.80 0.00 -1.71 0.00 0.00 66.02 64.63 3km3 s SER 37 CO 0.42 -0.57 1.89 0.28 1.20 0.00 0.00 173.24 176.46 3km3 h SER 38 N 1.79 0.66 -0.26 5.45 0.02 -1.98 -3.12 113.55 116.11 3km3 h SER 38 Ca -0.43 0.03 -0.22 0.00 -0.84 0.00 0.00 61.79 60.33 3km3 h SER 38 Cb 1.25 -0.10 -0.39 0.00 0.14 0.00 0.00 62.40 63.30 3km3 h SER 38 CO 0.76 0.36 -1.06 -1.22 -1.14 0.00 0.00 176.83 174.53 3km3 n TYR 39 N -4.53 0.79 -1.01 3.45 4.02 -1.26 -0.38 117.16 118.24 3km3 n TYR 39 Ca 0.16 -1.49 0.00 0.00 -0.01 0.00 0.00 57.90 56.56 3km3 n TYR 39 Cb 0.41 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 3km3 n TYR 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3km3 n GLY 40 N -0.19 -1.46 2.89 2.72 0.00 -1.18 -4.58 105.19 103.39 3km3 n GLY 40 Ca 0.08 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 3km3 n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3km3 s TYR 41 N -2.31 1.26 -0.54 1.61 5.04 0.18 -0.78 117.35 121.81 3km3 s TYR 41 Ca 0.00 -0.56 -0.27 0.00 -2.44 0.00 0.00 57.07 53.80 3km3 s TYR 41 Cb 0.00 -1.08 0.03 0.00 0.35 0.00 0.00 41.96 41.26 3km3 s TYR 41 CO 0.00 -0.42 1.10 -0.51 -1.34 0.00 0.00 175.55 174.38 3km3 s ASP 42 N 1.57 6.46 0.47 4.32 1.01 -0.02 -0.48 116.67 130.01 3km3 s ASP 42 Ca 0.01 0.08 -0.02 0.00 0.71 0.00 0.00 52.55 53.34 3km3 s ASP 42 Cb -0.13 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 3km3 s ASP 42 CO -0.06 -1.34 0.72 0.00 0.21 0.00 0.00 175.17 174.70 3km3 s ALA 43 N 4.53 3.62 0.09 5.23 0.00 -0.66 -0.81 121.76 133.77 3km3 s ALA 43 Ca 0.41 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.51 3km3 s ALA 43 Cb -0.09 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 3km3 s ALA 43 CO 0.25 -0.43 -0.02 1.03 0.00 0.00 0.00 175.76 176.59 3km3 s ARG 44 N -4.64 2.46 0.17 0.00 0.52 -1.26 -1.07 118.95 115.13 3km3 s ARG 44 Ca 0.49 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 54.53 3km3 s ARG 44 Cb -0.10 -2.49 -0.07 0.00 0.52 0.00 0.00 34.95 32.80 3km3 s ARG 44 CO 0.40 0.54 0.94 -1.17 0.02 0.00 0.00 175.30 176.03 3km3 s LEU 45 N -2.24 4.57 0.00 2.53 2.96 -0.44 -1.66 118.68 124.41 3km3 s LEU 45 Ca 0.24 1.85 -0.05 0.00 -0.22 0.00 0.00 54.13 55.96 3km3 s LEU 45 Cb -0.12 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.09 3km3 s LEU 45 CO 0.17 0.05 0.59 -0.67 -1.32 0.00 0.00 176.35 175.17 3km3 n ASP 46 N 2.13 0.30 -1.06 3.68 2.03 -0.48 0.93 116.55 124.08 3km3 n ASP 46 Ca -0.00 -1.37 0.08 0.00 0.52 0.00 0.00 54.79 54.02 3km3 n ASP 46 Cb 0.48 -0.43 0.27 0.00 -0.72 0.00 0.00 41.12 40.72 3km3 n ASP 46 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3km3 n ASN 47 N -3.23 4.02 -4.20 1.67 6.94 -1.26 -4.48 115.26 114.71 3km3 n ASN 47 Ca 0.08 -2.67 -0.34 0.00 -0.02 0.00 0.00 54.58 51.63 3km3 n ASN 47 Cb 0.29 -0.49 -0.15 0.00 -2.36 0.00 0.00 39.78 37.06 3km3 n ASN 47 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3km3 s LYS 48 N -2.22 3.15 0.07 -3.83 3.01 -1.26 -1.31 119.74 117.34 3km3 s LYS 48 Ca 0.41 -0.76 0.07 0.00 -1.01 0.00 0.00 55.97 54.68 3km3 s LYS 48 Cb 0.30 -2.71 -0.03 0.00 -1.01 0.00 0.00 37.83 34.38 3km3 s LYS 48 CO 0.14 -0.16 -0.19 -0.06 0.51 0.00 0.00 175.35 175.59 3km3 s PHE 49 N 1.24 1.67 -0.24 3.18 0.08 0.59 -4.24 117.98 120.27 3km3 s PHE 49 Ca 0.03 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.65 3km3 s PHE 49 Cb -0.14 -0.96 0.00 0.00 -0.57 0.00 0.00 43.02 41.35 3km3 s PHE 49 CO -0.07 0.12 -0.03 0.15 -0.10 0.00 0.00 175.22 175.29 3km3 s LYS 50 N -1.49 3.17 -0.22 0.44 1.02 0.55 -0.90 119.74 122.32 3km3 s LYS 50 Ca 0.05 -0.77 -0.06 0.00 0.02 0.00 0.00 55.97 55.21 3km3 s LYS 50 Cb -0.09 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 3km3 s LYS 50 CO 0.03 -0.29 0.04 0.42 -0.92 0.00 0.00 175.35 174.63 3km3 s ILE 51 N 1.43 4.30 0.23 2.17 1.01 -0.44 -0.87 121.20 129.03 3km3 s ILE 51 Ca 0.04 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.37 3km3 s ILE 51 Cb -0.15 -2.97 -0.08 0.00 0.01 0.00 0.00 42.46 39.27 3km3 s ILE 51 CO -0.03 0.40 0.60 -0.36 0.00 0.00 0.00 174.94 175.55 3km3 s PHE 52 N 1.09 3.46 0.07 3.97 0.40 -0.88 -1.19 117.98 124.90 3km3 s PHE 52 Ca 0.03 1.02 -0.22 0.00 -0.60 0.00 0.00 56.93 57.16 3km3 s PHE 52 Cb -0.14 -2.36 0.05 0.00 0.51 0.00 0.00 43.02 41.08 3km3 s PHE 52 CO 0.03 0.27 0.52 0.00 0.70 0.00 0.00 175.22 176.73 3km3 s ALA 53 N -1.76 -1.31 -1.15 5.36 0.00 -0.84 -4.65 121.76 117.40 3km3 s ALA 53 Ca 0.47 0.51 0.11 0.00 0.00 0.00 0.00 51.96 53.05 3km3 s ALA 53 Cb -0.12 0.47 0.47 0.00 0.00 0.00 0.00 23.12 23.94 3km3 s ALA 53 CO 0.20 -0.55 1.30 0.27 0.00 0.00 0.00 175.76 176.98 3km3 n ASN 54 N 0.24 3.32 -0.32 0.00 0.23 -1.26 -4.62 115.26 112.85 3km3 n ASN 54 Ca -0.18 -2.33 0.10 0.00 -0.53 0.00 0.00 54.58 51.64 3km3 n ASN 54 Cb 0.61 -0.49 0.32 0.00 -2.08 0.00 0.00 39.78 38.14 3km3 n ASN 54 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3km3 h THR 55 N 2.56 0.84 -0.02 5.53 2.02 -1.92 -2.63 112.91 119.29 3km3 h THR 55 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3km3 h THR 55 Cb 1.08 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3km3 h THR 55 CO 0.18 0.15 -0.21 1.41 0.37 0.00 0.00 175.52 177.42 3km3 n HIS 56 N -4.62 0.00 -2.88 3.16 8.25 -1.26 -4.99 115.22 112.88 3km3 n HIS 56 Ca 0.19 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.47 3km3 n HIS 56 Cb 0.45 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.58 3km3 n HIS 56 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3km3 n SER 57 N 0.60 -5.37 -4.84 0.41 7.64 -0.99 -4.99 113.62 106.08 3km3 n SER 57 Ca 0.12 -0.24 -0.37 0.00 1.01 0.00 0.00 58.87 59.40 3km3 n SER 57 Cb 0.52 -4.22 -0.06 0.00 -1.01 0.00 0.00 64.21 59.44 3km3 n SER 57 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3km3 s VAL 58 N -3.07 5.36 -0.02 0.44 -7.23 -1.26 -5.05 120.40 109.58 3km3 s VAL 58 Ca 0.25 0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 60.51 3km3 s VAL 58 Cb -0.11 -3.50 -0.06 0.00 0.56 0.00 0.00 36.38 33.27 3km3 s VAL 58 CO 0.31 0.57 1.56 -0.69 -0.31 0.00 0.00 175.10 176.54 3km3 s VAL 59 N -0.76 3.54 0.05 1.32 1.01 -1.26 -4.99 120.40 119.30 3km3 s VAL 59 Ca 0.17 0.81 -0.30 0.00 0.00 0.00 0.00 61.98 62.65 3km3 s VAL 59 Cb -0.13 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 3km3 s VAL 59 CO 0.06 -0.04 1.18 -0.69 0.00 0.00 0.00 175.10 175.61 3km3 s VAL 60 N 3.27 4.12 -0.31 2.92 1.01 -1.26 -5.01 120.40 125.13 3km3 s VAL 60 Ca 0.70 1.52 -0.05 0.00 0.00 0.00 0.00 61.98 64.15 3km3 s VAL 60 Cb -0.33 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.11 3km3 s VAL 60 CO 0.28 0.11 0.06 -0.62 0.00 0.00 0.00 175.10 174.93 3km3 s ASP 61 N 1.10 5.06 0.65 3.32 -1.08 -1.26 -4.98 116.67 119.47 3km3 s ASP 61 Ca 0.58 -1.06 0.42 0.00 -0.52 0.00 0.00 52.55 51.97 3km3 s ASP 61 Cb -0.28 -1.81 2.25 0.00 -1.46 0.00 0.00 42.92 41.62 3km3 s ASP 61 CO 0.28 -0.26 2.32 -0.65 0.52 0.00 0.00 175.17 177.38 3km3 h PRO 62 N 8.14 0.00 0.00 4.34 0.11 -2.01 0.87 132.00 143.45 3km3 h PRO 62 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3km3 h PRO 62 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3km3 h PRO 62 CO 0.58 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 179.25 3km3 h LYS 63 N 0.00 0.00 -2.64 1.05 1.57 -2.03 -3.42 116.57 111.10 3km3 h LYS 63 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3km3 h LYS 63 Cb 0.07 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 31.99 3km3 h LYS 63 CO 0.00 0.00 -0.83 -0.80 -0.57 0.00 0.00 179.45 177.25 3km3 s ASN 64 N -5.06 3.10 0.55 0.86 0.02 0.30 -5.13 114.94 109.58 3km3 s ASN 64 Ca 0.08 -2.01 -0.21 0.00 -1.02 0.00 0.00 52.86 49.71 3km3 s ASN 64 Cb 0.10 -0.40 -0.05 0.00 0.02 0.00 0.00 41.25 40.92 3km3 s ASN 64 CO 0.59 -0.34 1.25 0.72 0.02 0.00 0.00 177.10 179.35 3km3 s PHE 65 N 1.27 2.45 -0.04 2.20 -0.71 -1.25 -4.44 117.98 117.45 3km3 s PHE 65 Ca 0.16 1.47 0.04 0.00 -1.04 0.00 0.00 56.93 57.57 3km3 s PHE 65 Cb -0.22 -3.57 -0.01 0.00 -1.21 0.00 0.00 43.02 38.02 3km3 s PHE 65 CO -0.07 -2.31 -0.17 0.45 -1.34 0.00 0.00 175.22 171.78 3km3 s SER 66 N -1.32 2.08 0.47 1.98 0.15 -1.26 -5.02 113.70 110.77 3km3 s SER 66 Ca 0.73 -0.33 0.25 0.00 0.70 0.00 0.00 55.95 57.29 3km3 s SER 66 Cb -0.34 -0.50 1.10 0.00 -1.71 0.00 0.00 66.02 64.57 3km3 s SER 66 CO 0.38 0.16 1.91 0.06 1.20 0.00 0.00 173.24 176.95 3km3 h GLN 67 N 6.13 0.00 -0.01 5.44 -0.00 -1.94 -3.13 115.11 121.60 3km3 h GLN 67 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 3km3 h GLN 67 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.65 3km3 h GLN 67 CO 0.48 0.20 0.00 -0.25 -0.00 0.00 0.00 178.83 179.26 3km3 n ASP 68 N -3.49 0.37 0.23 0.06 8.00 -1.26 -3.38 116.55 117.08 3km3 n ASP 68 Ca -0.01 -1.16 0.13 0.00 0.71 0.00 0.00 54.79 54.46 3km3 n ASP 68 Cb 0.37 -0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.72 3km3 n ASP 68 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3km3 h SER 69 N 0.57 0.00 -5.26 -2.24 0.02 -1.84 -3.40 113.55 101.39 3km3 h SER 69 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 3km3 h SER 69 Cb 0.12 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.53 3km3 h SER 69 CO 0.00 0.02 -0.39 0.72 -1.14 0.00 0.00 176.83 176.04 3km3 s PHE 70 N -3.28 0.42 -0.02 3.45 -0.12 -1.22 -1.99 117.98 115.21 3km3 s PHE 70 Ca 0.06 -0.80 0.07 0.00 -0.05 0.00 0.00 56.93 56.21 3km3 s PHE 70 Cb 0.06 -0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.30 3km3 s PHE 70 CO 0.65 -0.65 -0.25 0.08 -0.05 0.00 0.00 175.22 175.01 3km3 s VAL 71 N -3.96 1.95 0.10 -2.49 1.01 -0.34 -4.93 120.40 111.75 3km3 s VAL 71 Ca 0.15 -1.05 -0.27 0.00 0.00 0.00 0.00 61.98 60.81 3km3 s VAL 71 Cb 0.04 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 3km3 s VAL 71 CO -0.02 0.55 0.83 -1.81 0.00 0.00 0.00 175.10 174.65 3km3 s ASP 72 N -0.54 7.35 0.03 3.32 1.01 -1.26 -1.33 116.67 125.23 3km3 s ASP 72 Ca 0.08 1.61 0.03 0.00 0.71 0.00 0.00 52.55 54.98 3km3 s ASP 72 Cb -0.10 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 3km3 s ASP 72 CO -0.01 0.04 -0.08 -0.60 0.21 0.00 0.00 175.17 174.73 3km3 s ARG 73 N -0.33 0.59 -0.06 8.23 3.00 -0.08 -4.98 118.95 125.32 3km3 s ARG 73 Ca 0.40 -0.56 0.02 0.00 -1.00 0.00 0.00 55.73 54.59 3km3 s ARG 73 Cb -0.22 -0.49 0.02 0.00 0.00 0.00 0.00 34.95 34.25 3km3 s ARG 73 CO 0.26 0.12 -0.10 -2.00 0.00 0.00 0.00 175.30 173.58 3km3 s GLU 74 N -0.97 1.40 0.00 5.12 2.12 -1.26 -0.30 118.70 124.82 3km3 s GLU 74 Ca -0.03 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 54.99 3km3 s GLU 74 Cb -0.07 -1.21 0.00 0.00 0.26 0.00 0.00 34.13 33.11 3km3 s GLU 74 CO 0.00 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 3km3 n GLY 75 N 3.89 -1.62 0.08 -1.50 0.00 -0.43 -4.98 105.19 100.63 3km3 n GLY 75 Ca -0.24 -1.07 0.13 0.00 0.00 0.00 0.00 46.02 44.84 3km3 n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3km3 n ASP 76 N 1.28 0.54 -3.87 1.61 8.00 -1.26 -4.64 116.55 118.21 3km3 n ASP 76 Ca 0.00 0.57 -0.09 0.00 0.71 0.00 0.00 54.79 55.97 3km3 n ASP 76 Cb 0.00 -0.71 -0.05 0.00 -0.02 0.00 0.00 41.12 40.34 3km3 n ASP 76 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3km3 s PHE 77 N -3.11 0.18 0.02 1.24 -0.12 -1.26 -1.35 117.98 113.58 3km3 s PHE 77 Ca 0.10 -0.54 0.04 0.00 -0.05 0.00 0.00 56.93 56.48 3km3 s PHE 77 Cb 0.13 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.66 3km3 s PHE 77 CO 0.52 -0.83 -0.11 0.00 -0.05 0.00 0.00 175.22 174.75 3km3 s ILE 79 N -0.68 4.70 -0.22 0.00 1.01 -1.26 -0.61 121.20 124.13 3km3 s ILE 79 Ca 0.01 -0.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.39 3km3 s ILE 79 Cb -0.06 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 3km3 s ILE 79 CO 0.01 0.35 0.70 -0.63 0.00 0.00 0.00 174.94 175.36 3km3 s ILE 80 N 1.27 4.95 0.72 2.92 1.01 0.53 -4.87 121.20 127.73 3km3 s ILE 80 Ca 0.05 1.30 -0.16 0.00 0.00 0.00 0.00 60.65 61.85 3km3 s ILE 80 Cb -0.14 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 38.36 3km3 s ILE 80 CO 0.04 0.04 1.24 -2.84 0.00 0.00 0.00 174.94 173.43 3km3 s PRO 81 N 2.31 2.12 0.50 2.79 0.02 -1.26 -1.43 135.00 140.05 3km3 s PRO 81 Ca 0.30 1.89 -0.22 0.00 0.02 0.00 0.00 61.00 62.99 3km3 s PRO 81 Cb -0.16 -1.82 -0.08 0.00 0.02 0.00 0.00 34.50 32.47 3km3 s PRO 81 CO 0.09 -1.88 1.10 -0.35 -0.33 0.00 0.00 177.00 175.63 3km3 n PRO 82 N -2.59 1.38 -3.84 5.54 -0.04 -1.26 -2.90 135.00 131.29 3km3 n PRO 82 Ca 0.15 0.50 -0.30 0.00 -0.04 0.00 0.00 63.50 63.81 3km3 n PRO 82 Cb 0.49 -2.23 0.01 0.00 -0.04 0.00 0.00 33.50 31.73 3km3 n PRO 82 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3km3 n ASN 83 N -0.17 -4.32 -0.71 3.54 4.13 -0.80 -4.94 115.26 111.99 3km3 n ASN 83 Ca 0.10 -0.74 0.00 0.00 1.68 0.00 0.00 54.58 55.63 3km3 n ASN 83 Cb 0.43 -3.49 0.00 0.00 -1.54 0.00 0.00 39.78 35.18 3km3 n ASN 83 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 3km3 n SER 84 N -2.66 0.00 -4.04 6.41 2.88 -1.14 -4.98 113.62 110.08 3km3 n SER 84 Ca 0.04 -0.71 -0.10 0.00 -1.33 0.00 0.00 58.87 56.77 3km3 n SER 84 Cb 0.52 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.91 3km3 n SER 84 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3km3 s PHE 85 N -1.73 0.56 0.03 0.66 -0.12 -1.26 -0.59 117.98 115.53 3km3 s PHE 85 Ca 0.00 -0.89 0.03 0.00 -0.05 0.00 0.00 56.93 56.02 3km3 s PHE 85 Cb 0.00 -0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.34 3km3 s PHE 85 CO 0.00 -0.86 -0.09 1.41 -0.05 0.00 0.00 175.22 175.63 3km3 s MET 86 N -4.04 0.64 -0.11 1.99 -2.45 -0.57 -2.08 119.30 112.67 3km3 s MET 86 Ca 0.26 -0.59 -0.02 0.00 -1.25 0.00 0.00 55.69 54.09 3km3 s MET 86 Cb 0.02 -0.55 -0.03 0.00 1.25 0.00 0.00 34.83 35.52 3km3 s MET 86 CO 0.08 0.13 -0.04 -0.51 1.05 0.00 0.00 175.02 175.73 3km3 s LEU 87 N -1.00 3.27 0.11 4.11 1.43 -0.05 -1.56 118.68 124.98 3km3 s LEU 87 Ca -0.03 -0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 52.89 3km3 s LEU 87 Cb -0.07 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.42 3km3 s LEU 87 CO 0.00 0.28 0.33 0.00 0.23 0.00 0.00 176.35 177.19 3km3 s ALA 88 N -0.29 -0.70 0.17 4.21 0.00 -0.01 -0.33 121.76 124.82 3km3 s ALA 88 Ca 0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 3km3 s ALA 88 Cb -0.13 0.61 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 3km3 s ALA 88 CO 0.02 -0.59 0.39 0.15 0.00 0.00 0.00 175.76 175.74 3km3 s LYS 89 N -3.76 3.59 0.65 0.00 1.02 -1.26 0.17 119.74 120.15 3km3 s LYS 89 Ca 0.03 -0.15 -0.16 0.00 0.02 0.00 0.00 55.97 55.71 3km3 s LYS 89 Cb 0.03 -2.83 -0.01 0.00 -0.52 0.00 0.00 37.83 34.50 3km3 s LYS 89 CO -0.11 0.43 1.14 0.95 -0.92 0.00 0.00 175.35 176.84 3km3 s THR 90 N -1.75 2.97 0.20 2.17 -4.23 0.05 -1.38 115.64 113.67 3km3 s THR 90 Ca 0.41 0.49 -0.06 0.00 -1.18 0.00 0.00 61.69 61.35 3km3 s THR 90 Cb -0.12 -3.06 0.04 0.00 1.34 0.00 0.00 72.50 70.71 3km3 s THR 90 CO 0.26 -0.23 1.63 0.58 -0.54 0.00 0.00 174.62 176.32 3km3 h VAL 91 N 0.25 1.27 -3.80 2.29 2.07 -1.58 -3.43 116.25 113.32 3km3 h VAL 91 Ca -0.48 -1.28 -0.50 0.00 0.82 0.00 0.00 66.70 65.26 3km3 h VAL 91 Cb 1.26 1.08 0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3km3 h VAL 91 CO 0.54 0.44 0.46 -1.61 0.02 0.00 0.00 177.57 177.41 3km3 s GLU 92 N -4.73 4.67 -0.06 1.57 8.01 -1.26 -4.68 118.70 122.22 3km3 s GLU 92 Ca -0.10 1.76 -0.13 0.00 0.01 0.00 0.00 54.97 56.51 3km3 s GLU 92 Cb 0.13 -3.20 -0.05 0.00 -4.31 0.00 0.00 34.13 26.70 3km3 s GLU 92 CO 0.84 0.25 0.33 -0.47 0.01 0.00 0.00 175.26 176.23 3km3 s TYR 93 N -1.16 3.64 -0.05 1.61 5.04 0.23 -4.24 117.35 122.43 3km3 s TYR 93 Ca 0.44 0.81 0.04 0.00 -2.44 0.00 0.00 57.07 55.92 3km3 s TYR 93 Cb -0.31 -2.23 -0.02 0.00 0.35 0.00 0.00 41.96 39.75 3km3 s TYR 93 CO 0.40 0.57 -0.17 -0.06 -1.34 0.00 0.00 175.55 174.95 3km3 s PHE 94 N -0.72 2.62 -0.31 4.97 0.08 0.15 -1.00 117.98 123.78 3km3 s PHE 94 Ca 0.20 -0.27 0.02 0.00 0.12 0.00 0.00 56.93 57.01 3km3 s PHE 94 Cb -0.15 -1.61 0.09 0.00 -0.57 0.00 0.00 43.02 40.78 3km3 s PHE 94 CO 0.09 0.10 0.04 -0.80 -0.10 0.00 0.00 175.22 174.56 3km3 s ASN 95 N -0.62 4.32 -0.19 1.36 0.01 0.08 -1.07 114.94 118.83 3km3 s ASN 95 Ca 0.09 -1.77 -0.18 0.00 -0.71 0.00 0.00 52.86 50.29 3km3 s ASN 95 Cb -0.11 -1.27 -0.03 0.00 0.41 0.00 0.00 41.25 40.24 3km3 s ASN 95 CO 0.01 -0.36 0.52 -0.63 -1.51 0.00 0.00 177.10 175.12 3km3 s ILE 96 N 1.25 5.11 0.93 0.60 -1.09 0.78 -4.18 121.20 124.60 3km3 s ILE 96 Ca 0.07 0.96 -0.11 0.00 -2.23 0.00 0.00 60.65 59.34 3km3 s ILE 96 Cb -0.18 -3.84 0.15 0.00 -1.58 0.00 0.00 42.46 37.01 3km3 s ILE 96 CO -0.13 0.19 1.11 -2.84 -1.23 0.00 0.00 174.94 172.03 3km3 s PRO 97 N 1.53 0.95 0.00 2.79 0.02 -1.26 -0.88 135.00 138.15 3km3 s PRO 97 Ca 0.24 1.24 0.10 0.00 0.02 0.00 0.00 61.00 62.61 3km3 s PRO 97 Cb -0.15 -1.74 0.62 0.00 0.02 0.00 0.00 34.50 33.25 3km3 s PRO 97 CO 0.10 -2.58 1.04 0.54 -0.33 0.00 0.00 177.00 175.77 3km3 n ARG 98 N -4.17 0.42 0.00 5.54 5.12 -1.26 -2.56 116.66 119.75 3km3 n ARG 98 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 3km3 n ARG 98 Cb 0.53 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.44 3km3 n ARG 98 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3km3 n ASP 99 N -0.89 1.29 -3.78 0.55 2.03 -1.26 -4.82 116.55 109.66 3km3 n ASP 99 Ca 0.08 -1.38 -0.13 0.00 0.52 0.00 0.00 54.79 53.88 3km3 n ASP 99 Cb 0.04 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.33 3km3 n ASP 99 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3km3 s VAL 100 N -0.38 0.01 0.00 5.18 1.01 -1.06 -3.88 120.40 121.28 3km3 s VAL 100 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.93 3km3 s VAL 100 Cb 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 3km3 s VAL 100 CO 0.00 -0.05 -0.13 -0.32 0.00 0.00 0.00 175.10 174.60 3km3 s MET 101 N -0.10 1.01 -0.09 2.72 -2.45 -0.77 -2.30 119.30 117.31 3km3 s MET 101 Ca -0.02 -0.53 0.04 0.00 -1.25 0.00 0.00 55.69 53.92 3km3 s MET 101 Cb -0.03 -0.98 0.00 0.00 1.25 0.00 0.00 34.83 35.08 3km3 s MET 101 CO 0.01 0.26 -0.21 0.08 1.05 0.00 0.00 175.02 176.21 3km3 s VAL 102 N -0.44 1.82 0.04 10.11 1.01 -0.58 -0.18 120.40 132.17 3km3 s VAL 102 Ca 0.04 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3km3 s VAL 102 Cb -0.06 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3km3 s VAL 102 CO -0.00 0.51 0.01 -0.69 0.00 0.00 0.00 175.10 174.92 3km3 s VAL 103 N 0.42 4.14 -0.13 2.92 1.01 -0.03 -0.77 120.40 127.96 3km3 s VAL 103 Ca -0.18 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3km3 s VAL 103 Cb -0.17 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 3km3 s VAL 103 CO 0.08 0.26 -0.16 0.00 0.00 0.00 0.00 175.10 175.27 3km3 s VAL 105 N 0.44 1.53 0.99 0.00 -7.23 0.23 -4.76 120.40 111.61 3km3 s VAL 105 Ca -0.12 -2.02 -0.15 0.00 -1.81 0.00 0.00 61.98 57.88 3km3 s VAL 105 Cb -0.16 -1.85 0.19 0.00 0.56 0.00 0.00 36.38 35.12 3km3 s VAL 105 CO 0.05 -0.54 1.22 -0.83 -0.31 0.00 0.00 175.10 174.68 3km3 s GLY 106 N -2.98 1.67 -0.09 2.32 0.00 -1.26 0.26 107.32 107.24 3km3 s GLY 106 Ca 0.17 -0.92 -0.03 0.00 0.00 0.00 0.00 44.72 43.94 3km3 s GLY 106 CO 0.05 -0.21 0.04 0.54 0.00 0.00 0.00 173.10 173.52 3km3 s LYS 107 N -5.60 3.09 0.51 2.90 -0.14 -1.26 -4.41 119.74 114.83 3km3 s LYS 107 Ca 0.70 -0.35 0.22 0.00 -1.36 0.00 0.00 55.97 55.18 3km3 s LYS 107 Cb -0.09 -2.89 1.34 0.00 -1.68 0.00 0.00 37.83 34.52 3km3 s LYS 107 CO 0.53 0.72 2.08 0.66 -0.76 0.00 0.00 175.35 178.58 3km3 h SER 108 N 5.03 0.00 -1.00 2.83 4.64 -1.98 -0.95 113.55 122.12 3km3 h SER 108 Ca -0.52 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.85 3km3 h SER 108 Cb 1.20 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.23 3km3 h SER 108 CO 0.56 0.11 0.65 0.74 -0.87 0.00 0.00 176.83 178.03 3km3 h THR 109 N 0.00 1.14 0.18 2.95 2.02 -1.95 -1.32 112.91 115.93 3km3 h THR 109 Ca -0.00 -0.42 -0.34 0.00 0.77 0.00 0.00 66.41 66.41 3km3 h THR 109 Cb 0.25 -0.20 0.01 0.00 -1.74 0.00 0.00 68.15 66.47 3km3 h THR 109 CO 0.01 0.23 -1.67 1.88 0.37 0.00 0.00 175.52 176.34 3km3 h TYR 110 N 1.24 0.70 -0.76 3.16 0.05 -1.59 -3.37 116.97 116.40 3km3 h TYR 110 Ca 0.41 -0.51 -0.01 0.00 0.05 0.00 0.00 58.73 58.67 3km3 h TYR 110 Cb 0.06 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 37.73 3km3 h TYR 110 CO -0.00 1.60 0.43 0.00 -1.05 0.00 0.00 178.16 179.14 3km3 h ALA 111 N 0.21 1.34 0.00 3.88 0.00 -1.07 -0.72 119.26 122.90 3km3 h ALA 111 Ca -0.31 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3km3 h ALA 111 Cb 2.09 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3km3 h ALA 111 CO 0.19 0.55 0.00 0.07 0.00 0.00 0.00 179.25 180.06 3km3 h ARG 112 N 1.05 0.00 -0.29 0.00 0.11 -1.40 -1.53 114.38 112.32 3km3 h ARG 112 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 3km3 h ARG 112 Cb -0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.07 3km3 h ARG 112 CO -0.05 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.02 3km3 n GLY 114 N 1.37 0.69 3.66 0.00 0.00 -0.58 -4.57 105.19 105.77 3km3 n GLY 114 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3km3 n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3km3 s ILE 115 N -2.33 4.69 -0.25 -0.61 -1.09 -1.03 -1.00 121.20 119.58 3km3 s ILE 115 Ca 0.00 2.00 -0.09 0.00 -2.23 0.00 0.00 60.65 60.33 3km3 s ILE 115 Cb 0.00 -4.30 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 3km3 s ILE 115 CO 0.00 -0.18 0.12 -0.69 -1.23 0.00 0.00 174.94 172.97 3km3 s VAL 116 N 3.18 4.84 -0.22 2.92 1.01 -0.07 -3.83 120.40 128.23 3km3 s VAL 116 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.16 3km3 s VAL 116 Cb -0.15 -3.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.96 3km3 s VAL 116 CO 0.06 0.32 0.87 -0.69 0.00 0.00 0.00 175.10 175.66 3km3 s VAL 117 N 1.48 4.82 -0.70 2.92 1.01 -1.26 -0.24 120.40 128.43 3km3 s VAL 117 Ca 0.06 1.67 0.05 0.00 0.00 0.00 0.00 61.98 63.76 3km3 s VAL 117 Cb -0.15 -4.16 0.26 0.00 0.00 0.00 0.00 36.38 32.33 3km3 s VAL 117 CO 0.06 -0.07 0.84 -3.20 0.00 0.00 0.00 175.10 172.74 3km3 n ASN 118 N 5.85 4.13 -4.12 3.32 5.15 -0.18 -4.83 115.26 124.58 3km3 n ASN 118 Ca 0.06 -3.44 -0.33 0.00 -0.60 0.00 0.00 54.58 50.27 3km3 n ASN 118 Cb 0.48 -0.75 -0.16 0.00 -0.53 0.00 0.00 39.78 38.81 3km3 n ASN 118 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3km3 s VAL 119 N -2.51 2.08 0.71 3.44 1.01 -1.26 -4.39 120.40 119.48 3km3 s VAL 119 Ca 0.39 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 3km3 s VAL 119 Cb 0.13 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.64 3km3 s VAL 119 CO 0.00 0.50 1.10 0.42 0.00 0.00 0.00 175.10 177.12 3km3 s THR 120 N 1.28 3.35 0.50 3.92 -4.23 -1.26 -4.36 115.64 114.84 3km3 s THR 120 Ca 0.04 0.42 -0.22 0.00 -1.18 0.00 0.00 61.69 60.76 3km3 s THR 120 Cb -0.13 -3.43 -0.06 0.00 1.34 0.00 0.00 72.50 70.21 3km3 s THR 120 CO -0.12 -0.57 1.17 -2.84 -0.54 0.00 0.00 174.62 171.72 3km3 s PRO 121 N -5.37 3.54 -0.14 3.99 0.02 -1.26 -4.79 135.00 130.99 3km3 s PRO 121 Ca 0.58 1.77 -0.27 0.00 0.02 0.00 0.00 61.00 63.10 3km3 s PRO 121 Cb -0.11 -2.25 -0.01 0.00 0.02 0.00 0.00 34.50 32.15 3km3 s PRO 121 CO 0.51 -0.73 0.92 -0.51 -0.33 0.00 0.00 177.00 176.86 3km3 s LEU 122 N -3.35 4.21 0.61 -5.54 1.43 0.05 -4.91 118.68 111.18 3km3 s LEU 122 Ca 0.68 1.36 -0.12 0.00 -1.03 0.00 0.00 54.13 55.02 3km3 s LEU 122 Cb -0.28 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 3km3 s LEU 122 CO 0.33 -0.43 1.03 -1.61 0.23 0.00 0.00 176.35 175.91 3km3 s GLU 123 N 2.08 3.52 0.24 1.70 0.41 -1.26 -1.52 118.70 123.87 3km3 s GLU 123 Ca 0.43 0.86 -0.30 0.00 -0.41 0.00 0.00 54.97 55.55 3km3 s GLU 123 Cb -0.17 -2.07 -0.14 0.00 -1.78 0.00 0.00 34.13 29.96 3km3 s GLU 123 CO 0.15 -0.63 1.16 -2.30 -0.49 0.00 0.00 175.26 173.15 3km3 n PRO 124 N -2.57 1.48 -0.16 0.39 -0.02 -0.97 -1.77 135.00 131.37 3km3 n PRO 124 Ca 0.07 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3km3 n PRO 124 Cb 0.54 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3km3 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3km3 n GLY 125 N 1.67 1.51 3.78 -1.23 0.00 -0.05 -4.86 105.19 105.99 3km3 n GLY 125 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3km3 n GLY 125 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3km3 s TRP 126 N -2.75 2.65 -0.03 1.61 -0.00 -0.73 -4.67 118.94 115.01 3km3 s TRP 126 Ca 0.00 1.15 -0.00 0.00 -0.00 0.00 0.00 56.10 57.25 3km3 s TRP 126 Cb 0.00 -3.99 0.03 0.00 -0.00 0.00 0.00 33.47 29.50 3km3 s TRP 126 CO 0.00 -2.94 0.01 0.45 -0.00 0.00 0.00 176.95 174.47 3km3 s SER 127 N -0.11 0.62 0.00 5.86 0.15 -1.26 -0.16 113.70 118.80 3km3 s SER 127 Ca 0.53 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.17 3km3 s SER 127 Cb -0.46 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 3km3 s SER 127 CO 0.61 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.52 3km3 n GLY 128 N 4.42 1.99 3.76 9.45 0.00 -0.23 -4.99 105.19 119.59 3km3 n GLY 128 Ca -0.21 -1.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 3km3 n GLY 128 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3km3 s TYR 129 N -1.99 3.40 0.05 1.61 2.02 -1.26 -0.67 117.35 120.51 3km3 s TYR 129 Ca 0.00 1.64 -0.26 0.00 -0.37 0.00 0.00 57.07 58.08 3km3 s TYR 129 Cb 0.00 -3.33 -0.05 0.00 -0.40 0.00 0.00 41.96 38.18 3km3 s TYR 129 CO 0.00 -0.83 0.80 0.08 -1.57 0.00 0.00 175.55 174.04 3km3 s VAL 130 N -1.27 4.70 -0.39 0.71 1.01 -1.26 -4.84 120.40 119.06 3km3 s VAL 130 Ca 0.49 1.72 -0.25 0.00 0.00 0.00 0.00 61.98 63.93 3km3 s VAL 130 Cb -0.31 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 31.93 3km3 s VAL 130 CO 0.40 0.35 0.88 -0.89 0.00 0.00 0.00 175.10 175.84 3km3 s THR 131 N -0.01 4.61 0.01 3.92 2.01 -1.26 -0.77 115.64 124.15 3km3 s THR 131 Ca 0.40 1.00 -0.22 0.00 0.31 0.00 0.00 61.69 63.19 3km3 s THR 131 Cb -0.21 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 67.93 3km3 s THR 131 CO 0.24 -0.56 0.63 -0.76 -0.69 0.00 0.00 174.62 173.48 3km3 s LEU 132 N 3.41 4.43 -0.21 4.42 1.43 0.44 -4.91 118.68 127.68 3km3 s LEU 132 Ca 0.36 1.23 -0.02 0.00 -1.03 0.00 0.00 54.13 54.67 3km3 s LEU 132 Cb -0.12 -2.99 0.01 0.00 0.03 0.00 0.00 46.19 43.12 3km3 s LEU 132 CO 0.20 0.09 -0.10 -0.70 0.23 0.00 0.00 176.35 176.06 3km3 s GLU 133 N -0.19 3.11 -0.33 1.70 -6.30 -1.26 -0.83 118.70 114.59 3km3 s GLU 133 Ca 0.33 -0.78 -0.04 0.00 -2.50 0.00 0.00 54.97 51.97 3km3 s GLU 133 Cb -0.19 -2.84 0.05 0.00 0.00 0.00 0.00 34.13 31.15 3km3 s GLU 133 CO 0.19 -0.25 0.08 -0.06 0.02 0.00 0.00 175.26 175.23 3km3 s PHE 134 N 1.37 3.29 -0.23 5.30 0.40 -0.60 -1.01 117.98 126.51 3km3 s PHE 134 Ca 0.04 -1.69 -0.17 0.00 -0.60 0.00 0.00 56.93 54.51 3km3 s PHE 134 Cb -0.14 -2.33 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 3km3 s PHE 134 CO -0.07 -0.79 0.44 -1.12 0.70 0.00 0.00 175.22 174.39 3km3 s SER 135 N 1.42 6.42 -0.58 1.36 0.01 0.67 -1.52 113.70 121.48 3km3 s SER 135 Ca -0.02 0.50 -0.23 0.00 1.31 0.00 0.00 55.95 57.51 3km3 s SER 135 Cb -0.20 -2.25 0.05 0.00 0.21 0.00 0.00 66.02 63.83 3km3 s SER 135 CO 0.01 -0.17 0.92 0.21 0.41 0.00 0.00 173.24 174.61 3km3 s ASN 136 N 1.31 6.28 0.00 2.44 2.47 0.24 -0.89 114.94 126.79 3km3 s ASN 136 Ca 0.20 -0.59 0.23 0.00 0.42 0.00 0.00 52.86 53.11 3km3 s ASN 136 Cb -0.15 -2.42 0.70 0.00 -1.45 0.00 0.00 41.25 37.93 3km3 s ASN 136 CO 0.09 -1.26 1.53 0.35 -3.72 0.00 0.00 177.10 174.10 3km3 n THR 137 N 6.06 0.21 -2.96 -5.21 -2.24 -0.17 -1.91 114.28 108.07 3km3 n THR 137 Ca -0.01 -0.41 -0.26 0.00 -2.27 0.00 0.00 64.05 61.11 3km3 n THR 137 Cb 0.47 0.58 -0.00 0.00 -2.10 0.00 0.00 70.33 69.27 3km3 n THR 137 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3km3 s SER 138 N -1.65 6.21 0.00 3.42 1.04 -1.26 -4.82 113.70 116.64 3km3 s SER 138 Ca 0.34 0.67 0.13 0.00 0.48 0.00 0.00 55.95 57.57 3km3 s SER 138 Cb 0.19 -2.08 0.68 0.00 0.10 0.00 0.00 66.02 64.91 3km3 s SER 138 CO 0.29 -0.49 1.45 -0.81 0.98 0.00 0.00 173.24 174.66 3km3 n PRO 139 N -2.07 1.21 -4.40 4.02 -0.04 -1.26 -2.12 135.00 130.35 3km3 n PRO 139 Ca -0.01 -0.32 -0.26 0.00 -0.04 0.00 0.00 63.50 62.87 3km3 n PRO 139 Cb 0.56 -1.23 -0.12 0.00 -0.04 0.00 0.00 33.50 32.67 3km3 n PRO 139 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3km3 s LEU 140 N -1.37 2.42 0.45 1.53 1.43 -1.26 -4.75 118.68 117.13 3km3 s LEU 140 Ca 0.21 -0.85 -0.24 0.00 -1.03 0.00 0.00 54.13 52.22 3km3 s LEU 140 Cb 0.10 -1.09 -0.07 0.00 0.03 0.00 0.00 46.19 45.16 3km3 s LEU 140 CO 0.16 0.09 1.29 -2.84 0.23 0.00 0.00 176.35 175.28 3km3 s PRO 141 N -2.61 3.72 -0.07 1.29 0.02 -1.26 -4.06 135.00 132.03 3km3 s PRO 141 Ca 0.18 2.09 0.02 0.00 0.02 0.00 0.00 61.00 63.32 3km3 s PRO 141 Cb -0.08 -2.55 0.01 0.00 0.02 0.00 0.00 34.50 31.90 3km3 s PRO 141 CO 0.09 -0.68 -0.12 0.08 -0.33 0.00 0.00 177.00 176.04 3km3 s VAL 142 N -1.34 1.16 0.00 3.83 1.01 -0.52 -4.92 120.40 119.63 3km3 s VAL 142 Ca 0.62 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.85 3km3 s VAL 142 Cb -0.36 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3km3 s VAL 142 CO 0.45 0.36 0.86 -0.75 0.00 0.00 0.00 175.10 176.03 3km3 s LYS 143 N 0.76 4.53 0.11 2.72 2.20 -1.26 -0.35 119.74 128.45 3km3 s LYS 143 Ca -0.13 1.20 0.10 0.00 -0.36 0.00 0.00 55.97 56.78 3km3 s LYS 143 Cb -0.16 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 3km3 s LYS 143 CO 0.03 0.08 -0.25 0.14 -0.36 0.00 0.00 175.35 174.99 3km3 s VAL 144 N 0.61 2.06 -0.25 4.02 -7.23 0.21 -4.97 120.40 114.85 3km3 s VAL 144 Ca 0.45 -1.63 -0.05 0.00 -1.81 0.00 0.00 61.98 58.93 3km3 s VAL 144 Cb -0.20 -1.83 -0.00 0.00 0.56 0.00 0.00 36.38 34.91 3km3 s VAL 144 CO 0.24 0.08 0.00 -0.31 -0.31 0.00 0.00 175.10 174.80 3km3 s TYR 145 N -1.05 3.04 0.59 2.82 2.02 -1.26 -1.53 117.35 121.98 3km3 s TYR 145 Ca 0.11 -0.99 -0.20 0.00 -0.37 0.00 0.00 57.07 55.63 3km3 s TYR 145 Cb -0.10 -2.16 -0.03 0.00 -0.40 0.00 0.00 41.96 39.27 3km3 s TYR 145 CO 0.05 -0.56 1.29 0.00 -1.57 0.00 0.00 175.55 174.76 3km3 s ALA 146 N 1.48 2.60 -0.38 3.71 0.00 -0.46 -3.47 121.76 125.23 3km3 s ALA 146 Ca 0.04 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.20 3km3 s ALA 146 Cb -0.16 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3km3 s ALA 146 CO -0.01 -1.38 0.00 1.19 0.00 0.00 0.00 175.76 175.56 3km3 n PHE 147 N -1.45 0.00 -4.50 0.00 3.72 0.26 -4.93 117.46 110.56 3km3 n PHE 147 Ca 0.13 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.29 3km3 n PHE 147 Cb 0.47 -1.57 -0.11 0.00 -0.94 0.00 0.00 39.48 37.34 3km3 n PHE 147 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3km3 s GLU 148 N -1.77 1.72 0.36 -1.08 2.02 -1.23 -4.86 118.70 113.87 3km3 s GLU 148 Ca 0.00 -1.91 -0.27 0.00 0.02 0.00 0.00 54.97 52.81 3km3 s GLU 148 Cb 0.00 -1.38 -0.12 0.00 0.10 0.00 0.00 34.13 32.73 3km3 s GLU 148 CO 0.00 0.03 1.28 0.41 0.02 0.00 0.00 175.26 177.00 3km3 n GLY 149 N -0.73 0.57 0.00 -1.39 0.00 -0.37 -1.32 105.19 101.94 3km3 n GLY 149 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3km3 n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3km3 n ALA 150 N 0.21 0.64 -3.76 4.61 0.00 -0.23 -4.76 120.51 117.22 3km3 n ALA 150 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.44 3km3 n ALA 150 Cb 0.37 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.82 3km3 n ALA 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3km3 s GLN 152 N -3.50 2.43 -0.15 0.00 0.74 0.14 -1.65 119.66 117.68 3km3 s GLN 152 Ca 0.11 -0.79 -0.12 0.00 0.05 0.00 0.00 55.36 54.62 3km3 s GLN 152 Cb -0.03 -1.99 -0.05 0.00 1.10 0.00 0.00 33.01 32.04 3km3 s GLN 152 CO 0.03 0.26 0.24 -0.06 -0.55 0.00 0.00 175.29 175.20 3km3 s PHE 153 N 0.10 3.49 -0.15 1.67 0.08 0.37 -0.60 117.98 122.94 3km3 s PHE 153 Ca -0.09 0.54 -0.02 0.00 0.12 0.00 0.00 56.93 57.49 3km3 s PHE 153 Cb -0.15 -2.23 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 3km3 s PHE 153 CO 0.05 0.35 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.92 3km3 s LEU 154 N 0.11 2.90 -0.24 -0.37 1.43 0.27 -0.65 118.68 122.13 3km3 s LEU 154 Ca 0.15 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 3km3 s LEU 154 Cb -0.13 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3km3 s LEU 154 CO 0.03 0.15 0.10 -0.36 0.23 0.00 0.00 176.35 176.50 3km3 s PHE 155 N 0.48 3.16 -0.15 0.29 0.08 -1.26 -0.85 117.98 119.73 3km3 s PHE 155 Ca -0.07 -0.15 -0.05 0.00 0.12 0.00 0.00 56.93 56.78 3km3 s PHE 155 Cb -0.15 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.03 3km3 s PHE 155 CO 0.04 -0.17 0.03 -0.06 -0.10 0.00 0.00 175.22 174.96 3km3 s PHE 156 N 1.32 3.21 0.27 0.36 0.08 0.74 -0.43 117.98 123.53 3km3 s PHE 156 Ca 0.06 0.07 -0.12 0.00 0.12 0.00 0.00 56.93 57.06 3km3 s PHE 156 Cb -0.15 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 3km3 s PHE 156 CO 0.05 0.25 0.50 0.45 -0.10 0.00 0.00 175.22 176.37 3km3 s SER 157 N -0.09 0.05 0.00 1.36 0.15 -0.12 -1.85 113.70 113.21 3km3 s SER 157 Ca 0.05 -1.01 0.28 0.00 0.70 0.00 0.00 55.95 55.97 3km3 s SER 157 Cb -0.12 0.62 1.12 0.00 -1.71 0.00 0.00 66.02 65.93 3km3 s SER 157 CO 0.02 -1.21 1.79 0.61 1.20 0.00 0.00 173.24 175.65