#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2udp s ARG 2 N 0.00 2.77 -0.19 0.03 0.52 -1.26 0.30 118.95 121.12 2udp s ARG 2 Ca 0.00 -1.65 -0.04 0.00 -0.52 0.00 0.00 55.73 53.52 2udp s ARG 2 Cb 0.00 -4.09 -0.02 0.00 0.52 0.00 0.00 34.95 31.35 2udp s ARG 2 CO 0.00 -1.20 -0.02 0.54 0.02 0.00 0.00 175.30 174.64 2udp s VAL 3 N 1.51 3.78 -0.38 3.52 0.11 0.18 -0.87 120.40 128.25 2udp s VAL 3 Ca 0.04 -0.38 -0.23 0.00 -2.93 0.00 0.00 61.98 58.49 2udp s VAL 3 Cb -0.27 -2.70 0.01 0.00 -1.53 0.00 0.00 36.38 31.89 2udp s VAL 3 CO 0.02 0.44 0.76 -0.22 -3.33 0.00 0.00 175.10 172.78 2udp s LEU 4 N 0.95 4.16 -0.44 2.54 2.96 -0.98 0.10 118.68 127.98 2udp s LEU 4 Ca 0.01 0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 54.11 2udp s LEU 4 Cb -0.14 -2.98 0.11 0.00 0.50 0.00 0.00 46.19 43.67 2udp s LEU 4 CO 0.01 -0.74 0.28 -0.69 -1.32 0.00 0.00 176.35 173.89 2udp s VAL 5 N 3.07 3.79 0.41 1.68 1.01 0.18 -0.32 120.40 130.22 2udp s VAL 5 Ca 0.30 -1.88 -0.24 0.00 0.00 0.00 0.00 61.98 60.16 2udp s VAL 5 Cb -0.13 -3.53 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 2udp s VAL 5 CO 0.17 -0.72 1.08 0.42 0.00 0.00 0.00 175.10 176.06 2udp s THR 6 N 1.27 3.54 -1.25 3.92 -4.23 0.04 -2.06 115.64 116.87 2udp s THR 6 Ca 0.07 1.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.77 2udp s THR 6 Cb -0.24 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 69.97 2udp s THR 6 CO -0.02 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2udp n GLY 7 N 0.41 1.11 0.30 3.99 0.00 0.66 -1.85 105.19 109.80 2udp n GLY 7 Ca 0.05 -0.46 0.18 0.00 0.00 0.00 0.00 46.02 45.79 2udp n GLY 7 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2udp h GLY 8 N 0.00 0.00 1.12 -0.02 0.00 -1.63 -1.62 103.07 100.93 2udp h GLY 8 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2udp h GLY 8 CO 0.36 0.00 -0.22 -1.14 0.00 0.00 0.00 176.54 175.53 2udp n SER 9 N -3.31 0.43 -2.50 0.19 3.41 -1.26 -1.81 113.62 108.76 2udp n SER 9 Ca -0.02 -0.25 -0.07 0.00 -0.26 0.00 0.00 58.87 58.27 2udp n SER 9 Cb 0.18 -0.05 0.05 0.00 -0.26 0.00 0.00 64.21 64.13 2udp n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2udp n GLY 10 N 1.41 -1.48 0.21 5.00 0.00 -0.61 -4.66 105.19 105.06 2udp n GLY 10 Ca 0.10 -1.63 -0.08 0.00 0.00 0.00 0.00 46.02 44.40 2udp n GLY 10 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2udp h TYR 11 N -1.30 -0.50 -0.23 1.61 3.20 -1.90 0.22 116.97 118.06 2udp h TYR 11 Ca -0.10 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.73 2udp h TYR 11 Cb 0.27 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 2udp h TYR 11 CO 0.00 -0.31 0.01 0.82 -1.64 0.00 0.00 178.16 177.04 2udp h ILE 12 N -0.52 1.25 -0.92 1.81 2.04 -1.94 -3.03 117.51 116.19 2udp h ILE 12 Ca -0.05 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2udp h ILE 12 Cb 0.40 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 2udp h ILE 12 CO 0.08 0.27 0.54 1.23 0.00 0.00 0.00 178.15 180.27 2udp h GLY 13 N 0.19 1.35 1.00 5.37 0.00 -1.73 -0.71 103.07 108.53 2udp h GLY 13 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2udp h GLY 13 CO 0.01 0.56 0.05 1.48 0.00 0.00 0.00 176.54 178.64 2udp h SER 14 N 1.27 0.09 -0.78 0.19 4.64 0.23 0.83 113.55 120.04 2udp h SER 14 Ca 0.33 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2udp h SER 14 Cb -0.02 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.00 2udp h SER 14 CO -0.06 0.07 0.49 0.45 -0.87 0.00 0.00 176.83 176.92 2udp h HIS 15 N 0.11 1.01 -0.48 4.77 -0.00 -1.37 -2.55 115.15 116.63 2udp h HIS 15 Ca 0.03 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 2udp h HIS 15 Cb -0.01 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.05 2udp h HIS 15 CO -0.07 0.65 0.10 1.15 -0.00 0.00 0.00 177.93 179.76 2udp h THR 16 N 1.07 1.24 -0.73 2.45 2.02 -0.67 -2.77 112.91 115.51 2udp h THR 16 Ca 0.28 -0.87 0.04 0.00 0.77 0.00 0.00 66.41 66.64 2udp h THR 16 Cb -0.08 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 2udp h THR 16 CO -0.06 0.31 0.48 0.00 0.37 0.00 0.00 175.52 176.62 2udp h VAL 18 N 0.85 1.26 -0.15 0.00 2.07 -1.25 -0.39 116.25 118.64 2udp h VAL 18 Ca 0.30 -1.11 -0.19 0.00 0.82 0.00 0.00 66.70 66.52 2udp h VAL 18 Cb 0.12 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2udp h VAL 18 CO -0.09 0.40 -0.68 1.56 0.02 0.00 0.00 177.57 178.79 2udp h GLN 19 N 0.96 0.60 -0.46 1.57 1.08 -1.10 -1.67 115.11 116.08 2udp h GLN 19 Ca 0.18 -0.45 -0.05 0.00 -1.45 0.00 0.00 58.65 56.88 2udp h GLN 19 Cb 0.52 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 2udp h GLN 19 CO 0.02 1.07 0.10 -0.07 -0.95 0.00 0.00 178.83 179.00 2udp h LEU 20 N 0.43 0.72 -1.02 1.46 3.38 -0.94 -2.51 115.31 116.84 2udp h LEU 20 Ca -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 2udp h LEU 20 Cb 1.26 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 2udp h LEU 20 CO 0.13 0.78 0.34 -0.07 0.09 0.00 0.00 178.44 179.71 2udp h LEU 21 N 0.63 0.94 -2.39 1.67 3.38 -1.05 -2.18 115.31 116.31 2udp h LEU 21 Ca 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2udp h LEU 21 Cb 0.35 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2udp h LEU 21 CO 0.01 0.80 -0.03 1.56 0.09 0.00 0.00 178.44 180.86 2udp h GLN 22 N 1.03 0.00 -0.01 1.13 4.20 -0.87 0.12 115.11 120.71 2udp h GLN 22 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 2udp h GLN 22 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2udp h GLN 22 CO -0.03 0.03 -0.11 0.09 -0.67 0.00 0.00 178.83 178.14 2udp n ASN 23 N -3.57 1.38 0.00 1.46 4.13 -0.86 -4.96 115.26 112.84 2udp n ASN 23 Ca -0.02 -1.28 0.00 0.00 1.68 0.00 0.00 54.58 54.96 2udp n ASN 23 Cb 0.13 0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.44 2udp n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2udp n GLY 24 N 1.25 0.57 3.75 7.41 0.00 0.42 -5.03 105.19 113.56 2udp n GLY 24 Ca 0.16 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2udp n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2udp s HIS 25 N -2.00 2.47 -0.28 1.61 3.76 -0.98 -4.78 115.29 115.09 2udp s HIS 25 Ca 0.00 1.47 -0.16 0.00 -0.15 0.00 0.00 55.06 56.22 2udp s HIS 25 Cb 0.00 -3.09 -0.03 0.00 1.11 0.00 0.00 32.58 30.57 2udp s HIS 25 CO 0.00 -2.01 0.42 -0.51 -0.85 0.00 0.00 174.74 171.78 2udp s ASP 26 N -3.38 6.29 -0.10 1.40 1.01 0.15 -4.63 116.67 117.41 2udp s ASP 26 Ca 0.62 0.27 0.01 0.00 0.71 0.00 0.00 52.55 54.16 2udp s ASP 26 Cb -0.18 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.50 2udp s ASP 26 CO 0.56 -0.25 -0.12 -0.69 0.21 0.00 0.00 175.17 174.88 2udp s VAL 27 N 2.15 3.17 -0.16 -1.27 1.01 -1.26 0.51 120.40 124.56 2udp s VAL 27 Ca 0.16 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.51 2udp s VAL 27 Cb -0.16 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.94 2udp s VAL 27 CO 0.10 0.55 -0.18 -0.63 0.00 0.00 0.00 175.10 174.94 2udp s ILE 28 N -0.12 1.87 -0.14 2.22 1.09 0.28 -0.96 121.20 125.44 2udp s ILE 28 Ca -0.01 -0.83 -0.12 0.00 -1.10 0.00 0.00 60.65 58.59 2udp s ILE 28 Cb -0.14 -1.69 -0.05 0.00 -1.06 0.00 0.00 42.46 39.52 2udp s ILE 28 CO 0.03 0.51 0.26 -0.63 -0.10 0.00 0.00 174.94 175.01 2udp s ILE 29 N 1.22 5.32 -0.14 2.92 1.01 0.27 0.47 121.20 132.26 2udp s ILE 29 Ca 0.01 0.48 0.01 0.00 0.00 0.00 0.00 60.65 61.16 2udp s ILE 29 Cb -0.14 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.77 2udp s ILE 29 CO -0.09 0.45 -0.17 -0.22 0.00 0.00 0.00 174.94 174.91 2udp s LEU 30 N 0.03 1.88 -0.23 2.97 1.98 -0.87 0.14 118.68 124.58 2udp s LEU 30 Ca 0.16 -0.53 -0.14 0.00 -2.89 0.00 0.00 54.13 50.73 2udp s LEU 30 Cb -0.13 -1.27 0.07 0.00 0.66 0.00 0.00 46.19 45.51 2udp s LEU 30 CO 0.04 0.01 0.56 -0.62 -1.89 0.00 0.00 176.35 174.45 2udp s ASP 31 N 1.15 -0.72 0.00 3.68 -1.08 -0.96 -0.25 116.67 118.50 2udp s ASP 31 Ca -0.01 1.21 0.31 0.00 -0.52 0.00 0.00 52.55 53.54 2udp s ASP 31 Cb -0.14 1.12 1.67 0.00 -1.46 0.00 0.00 42.92 44.10 2udp s ASP 31 CO -0.06 -0.21 2.10 -0.46 0.52 0.00 0.00 175.17 177.05 2udp n ASN 32 N 3.96 0.29 -1.78 -0.34 0.23 -0.49 -2.17 115.26 114.96 2udp n ASN 32 Ca -0.20 -0.96 -0.18 0.00 -0.53 0.00 0.00 54.58 52.71 2udp n ASN 32 Cb 0.57 -0.03 -0.04 0.00 -2.08 0.00 0.00 39.78 38.20 2udp n ASN 32 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2udp n LEU 33 N -0.83 -1.61 0.19 -4.53 4.77 -1.26 -4.83 117.00 108.89 2udp n LEU 33 Ca 0.21 0.19 0.14 0.00 -0.03 0.00 0.00 56.01 56.52 2udp n LEU 33 Cb 0.18 -2.60 0.44 0.00 -2.33 0.00 0.00 43.42 39.11 2udp n LEU 33 CO 0.19 -0.52 0.89 0.00 -1.33 0.00 0.00 177.39 176.62 2udp n ASN 35 N -2.69 0.27 -3.99 0.00 5.15 -1.26 -5.10 115.26 107.64 2udp n ASN 35 Ca 0.03 -1.89 -0.10 0.00 -0.60 0.00 0.00 54.58 52.03 2udp n ASN 35 Cb 0.37 -0.17 -0.06 0.00 -0.53 0.00 0.00 39.78 39.40 2udp n ASN 35 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2udp s SER 36 N -1.26 -0.03 0.03 1.20 1.04 -1.25 -4.89 113.70 108.54 2udp s SER 36 Ca 0.13 -0.94 0.06 0.00 0.48 0.00 0.00 55.95 55.67 2udp s SER 36 Cb 0.14 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 2udp s SER 36 CO -0.06 -1.02 -0.16 -0.54 0.98 0.00 0.00 173.24 172.43 2udp s LYS 37 N -4.01 1.12 0.58 4.02 1.02 -1.26 -4.73 119.74 116.48 2udp s LYS 37 Ca 0.22 -0.78 0.28 0.00 0.02 0.00 0.00 55.97 55.71 2udp s LYS 37 Cb 0.01 -1.16 1.56 0.00 -0.52 0.00 0.00 37.83 37.73 2udp s LYS 37 CO 0.06 0.29 2.02 0.00 -0.92 0.00 0.00 175.35 176.81 2udp h ARG 38 N 5.03 0.00 0.00 1.68 3.08 -1.97 -2.18 114.38 120.02 2udp h ARG 38 Ca -0.39 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.66 2udp h ARG 38 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 2udp h ARG 38 CO 0.45 0.00 -0.00 0.66 -1.07 0.00 0.00 179.97 180.00 2udp h SER 39 N 0.00 0.00 0.75 7.04 4.64 -1.96 -1.14 113.55 122.87 2udp h SER 39 Ca 0.15 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.40 2udp h SER 39 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 2udp h SER 39 CO -0.00 0.00 -0.30 1.62 -0.87 0.00 0.00 176.83 177.28 2udp h VAL 40 N 0.00 0.79 -0.26 0.95 3.04 -1.75 -3.35 116.25 115.67 2udp h VAL 40 Ca -0.00 -1.25 0.05 0.00 -1.01 0.00 0.00 66.70 64.48 2udp h VAL 40 Cb 0.20 1.78 -0.04 0.00 -2.01 0.00 0.00 31.29 31.21 2udp h VAL 40 CO 0.00 0.29 -0.01 -0.07 -1.01 0.00 0.00 177.57 176.78 2udp h LEU 41 N 0.00 -0.12 -1.38 3.16 3.38 -1.40 -1.92 115.31 117.03 2udp h LEU 41 Ca -0.00 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2udp h LEU 41 Cb 0.75 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2udp h LEU 41 CO 0.04 -0.03 -0.12 1.55 0.09 0.00 0.00 178.44 179.97 2udp h PRO 42 N 0.07 0.26 -0.43 1.13 0.14 -1.76 -1.93 132.00 129.47 2udp h PRO 42 Ca 0.13 -0.06 -0.10 0.00 0.14 0.00 0.00 66.00 66.11 2udp h PRO 42 Cb 0.17 -0.04 -0.01 0.00 0.14 0.00 0.00 31.00 31.26 2udp h PRO 42 CO -0.22 0.39 -0.12 0.28 0.14 0.00 0.00 178.00 178.48 2udp h VAL 43 N 0.25 1.27 0.20 1.56 2.07 -1.57 0.14 116.25 120.16 2udp h VAL 43 Ca 0.05 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.35 2udp h VAL 43 Cb 0.38 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2udp h VAL 43 CO 0.02 0.42 -0.30 0.40 0.02 0.00 0.00 177.57 178.13 2udp h ILE 44 N 0.68 0.36 -0.60 4.57 2.04 -0.94 0.79 117.51 124.40 2udp h ILE 44 Ca 0.11 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.99 2udp h ILE 44 Cb 0.66 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 2udp h ILE 44 CO 0.05 0.00 0.37 -0.08 0.00 0.00 0.00 178.15 178.49 2udp h GLU 45 N -0.56 0.72 0.47 2.37 4.81 -1.27 0.74 114.58 121.85 2udp h GLU 45 Ca 0.01 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2udp h GLU 45 Cb 0.56 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2udp h GLU 45 CO -0.13 0.48 -0.22 -0.09 -0.73 0.00 0.00 179.01 178.31 2udp h ARG 46 N 0.74 -0.61 -0.22 1.92 2.43 -0.18 0.54 114.38 119.01 2udp h ARG 46 Ca 0.24 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.38 2udp h ARG 46 Cb 0.01 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2udp h ARG 46 CO -0.09 -0.36 -0.17 -0.07 -1.51 0.00 0.00 179.97 177.76 2udp h LEU 47 N -0.72 0.37 -0.17 3.80 3.38 0.89 -2.93 115.31 119.94 2udp h LEU 47 Ca -0.06 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2udp h LEU 47 Cb 0.52 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2udp h LEU 47 CO 0.11 0.56 -0.30 1.23 0.09 0.00 0.00 178.44 180.12 2udp h GLY 48 N 0.91 0.00 -0.10 0.83 0.00 0.58 -3.48 103.07 101.82 2udp h GLY 48 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 2udp h GLY 48 CO 0.03 0.00 -0.04 0.61 0.00 0.00 0.00 176.54 177.14 2udp n GLY 49 N 1.03 0.54 3.46 4.60 0.00 0.17 -3.52 105.19 111.47 2udp n GLY 49 Ca 0.02 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 2udp n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2udp s LYS 50 N -1.31 0.88 -0.04 1.61 2.20 -1.15 -5.04 119.74 116.89 2udp s LYS 50 Ca 0.00 0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 55.64 2udp s LYS 50 Cb 0.00 0.41 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 2udp s LYS 50 CO 0.00 -0.23 1.07 -1.58 -0.36 0.00 0.00 175.35 174.25 2udp s HIS 51 N -0.80 3.47 0.17 4.03 5.65 -1.26 -4.37 115.29 122.17 2udp s HIS 51 Ca -0.08 1.49 -0.13 0.00 0.25 0.00 0.00 55.06 56.59 2udp s HIS 51 Cb -0.02 -3.26 -0.07 0.00 -1.18 0.00 0.00 32.58 28.05 2udp s HIS 51 CO 0.06 -0.58 0.54 -1.25 -0.65 0.00 0.00 174.74 172.86 2udp s PRO 52 N 1.62 3.92 -0.02 2.88 0.04 -1.26 -4.77 135.00 137.40 2udp s PRO 52 Ca 0.53 0.41 -0.24 0.00 0.04 0.00 0.00 61.00 61.73 2udp s PRO 52 Cb -0.22 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 2udp s PRO 52 CO 0.24 0.44 0.75 0.99 0.04 0.00 0.00 177.00 179.45 2udp s THR 53 N -1.56 4.93 -0.07 1.26 2.01 -0.13 -4.94 115.64 117.14 2udp s THR 53 Ca 0.40 1.56 0.01 0.00 0.31 0.00 0.00 61.69 63.97 2udp s THR 53 Cb -0.14 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 2udp s THR 53 CO 0.20 0.28 -0.10 0.12 -0.69 0.00 0.00 174.62 174.43 2udp s PHE 54 N 0.53 2.85 -0.08 4.92 5.36 -1.26 0.94 117.98 131.23 2udp s PHE 54 Ca 0.39 -0.12 -0.01 0.00 -0.96 0.00 0.00 56.93 56.23 2udp s PHE 54 Cb -0.19 -1.71 0.03 0.00 -0.34 0.00 0.00 43.02 40.81 2udp s PHE 54 CO 0.21 0.21 -0.02 0.08 -1.46 0.00 0.00 175.22 174.23 2udp s VAL 55 N -0.59 0.57 -0.29 3.12 1.01 0.12 -4.95 120.40 119.38 2udp s VAL 55 Ca 0.09 -0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.80 2udp s VAL 55 Cb -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.60 2udp s VAL 55 CO 0.02 0.28 0.89 -0.70 0.00 0.00 0.00 175.10 175.59 2udp s GLU 56 N 1.78 4.06 -0.03 2.72 2.12 -1.26 -2.26 118.70 125.82 2udp s GLU 56 Ca 0.03 0.84 -0.10 0.00 0.36 0.00 0.00 54.97 56.11 2udp s GLU 56 Cb -0.13 -3.71 0.03 0.00 0.26 0.00 0.00 34.13 30.59 2udp s GLU 56 CO -0.05 -0.69 0.43 0.41 -0.54 0.00 0.00 175.26 174.81 2udp n GLY 57 N 3.95 0.29 3.16 -1.50 0.00 -0.92 -4.94 105.19 105.24 2udp n GLY 57 Ca 0.07 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 2udp n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2udp s ASP 58 N -1.93 2.34 0.58 1.61 -1.08 -1.26 -1.40 116.67 115.53 2udp s ASP 58 Ca 0.10 -0.39 0.28 0.00 -0.52 0.00 0.00 52.55 52.02 2udp s ASP 58 Cb -0.00 -0.66 1.71 0.00 -1.46 0.00 0.00 42.92 42.50 2udp s ASP 58 CO -0.01 0.17 2.20 0.16 0.52 0.00 0.00 175.17 178.21 2udp h ILE 59 N 5.24 0.57 0.00 4.11 3.07 -1.96 -0.37 117.51 128.18 2udp h ILE 59 Ca -0.32 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.09 2udp h ILE 59 Cb 1.18 0.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 2udp h ILE 59 CO 0.48 0.00 0.00 0.03 -1.05 0.00 0.00 178.15 177.61 2udp h ARG 60 N 0.00 0.00 -5.70 0.16 3.08 -1.89 -3.34 114.38 106.68 2udp h ARG 60 Ca 0.03 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.43 2udp h ARG 60 Cb 0.14 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.07 2udp h ARG 60 CO -0.00 0.00 1.43 1.21 -1.07 0.00 0.00 179.97 181.54 2udp s ASN 61 N -5.24 6.63 0.30 7.04 3.84 -0.15 -4.89 114.94 122.46 2udp s ASN 61 Ca 0.02 -1.86 0.02 0.00 0.21 0.00 0.00 52.86 51.25 2udp s ASN 61 Cb 0.09 -2.52 0.59 0.00 -0.55 0.00 0.00 41.25 38.86 2udp s ASN 61 CO 0.50 -1.29 1.87 -0.08 -2.79 0.00 0.00 177.10 175.30 2udp h GLU 62 N 9.03 0.93 -0.66 0.43 4.81 -1.84 -1.10 114.58 126.18 2udp h GLU 62 Ca 0.24 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 2udp h GLU 62 Cb 0.98 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 2udp h GLU 62 CO 1.34 0.62 0.10 0.00 -0.73 0.00 0.00 179.01 180.34 2udp h ALA 63 N 1.54 0.93 -0.33 2.92 0.00 -1.95 -1.19 119.26 121.18 2udp h ALA 63 Ca 0.46 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2udp h ALA 63 Cb 0.44 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2udp h ALA 63 CO -0.22 0.66 -0.11 1.25 0.00 0.00 0.00 179.25 180.84 2udp h LEU 64 N 1.02 0.66 -0.79 0.00 5.85 -1.81 0.30 115.31 120.54 2udp h LEU 64 Ca 0.20 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.58 2udp h LEU 64 Cb 0.45 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 2udp h LEU 64 CO 0.01 0.90 0.49 0.24 -0.34 0.00 0.00 178.44 179.74 2udp h MET 65 N 0.43 0.92 -0.18 1.25 2.86 -1.00 -0.14 114.93 119.06 2udp h MET 65 Ca 0.08 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2udp h MET 65 Cb 0.62 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2udp h MET 65 CO 0.04 0.61 0.09 1.15 1.06 0.00 0.00 176.91 179.86 2udp h THR 66 N 0.95 1.13 -0.63 2.22 2.02 -0.86 0.61 112.91 118.33 2udp h THR 66 Ca 0.32 -0.36 0.04 0.00 0.77 0.00 0.00 66.41 67.19 2udp h THR 66 Cb 0.06 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 2udp h THR 66 CO -0.13 0.12 0.37 -0.08 0.37 0.00 0.00 175.52 176.17 2udp h GLU 67 N 0.18 0.69 0.30 6.66 4.81 -0.40 -1.19 114.58 125.62 2udp h GLU 67 Ca 0.06 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2udp h GLU 67 Cb 0.11 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2udp h GLU 67 CO -0.01 0.45 -0.15 0.82 -0.73 0.00 0.00 179.01 179.40 2udp h ILE 68 N 0.71 0.73 -0.87 2.32 2.04 -0.40 0.35 117.51 122.38 2udp h ILE 68 Ca 0.27 -0.26 0.10 0.00 1.00 0.00 0.00 64.86 65.97 2udp h ILE 68 Cb 0.10 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 2udp h ILE 68 CO -0.14 0.06 0.56 -0.07 0.00 0.00 0.00 178.15 178.56 2udp h LEU 69 N -0.55 0.75 0.19 1.44 3.38 -0.80 -1.47 115.31 118.25 2udp h LEU 69 Ca -0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2udp h LEU 69 Cb 0.40 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2udp h LEU 69 CO 0.07 0.43 -0.09 -0.74 0.09 0.00 0.00 178.44 178.20 2udp h HIS 70 N 0.82 -0.24 0.00 1.13 2.76 -0.99 -2.29 115.15 116.35 2udp h HIS 70 Ca 0.41 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.55 2udp h HIS 70 Cb 0.46 0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.49 2udp h HIS 70 CO -0.00 -0.15 -0.12 -0.44 -1.30 0.00 0.00 177.93 175.93 2udp h ASP 71 N -0.97 0.00 0.83 3.26 5.19 -0.94 -2.06 116.42 121.72 2udp h ASP 71 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2udp h ASP 71 Cb 0.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.70 2udp h ASP 71 CO 0.04 0.12 -0.38 1.41 -3.12 0.00 0.00 179.24 177.31 2udp n HIS 72 N -4.14 0.28 -3.62 4.55 8.25 -0.56 -4.98 115.22 115.00 2udp n HIS 72 Ca -0.02 0.08 -0.24 0.00 -0.26 0.00 0.00 57.72 57.27 2udp n HIS 72 Cb 0.20 -0.51 0.08 0.00 1.12 0.00 0.00 29.99 30.88 2udp n HIS 72 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2udp n ALA 73 N -1.63 -1.33 -1.78 -1.41 0.00 -0.78 -4.94 120.51 108.64 2udp n ALA 73 Ca 0.05 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.46 2udp n ALA 73 Cb 0.38 -5.35 -0.02 0.00 0.00 0.00 0.00 19.45 14.46 2udp n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2udp s ILE 74 N -3.32 2.64 -0.32 0.00 -1.09 -0.89 -4.80 121.20 113.42 2udp s ILE 74 Ca 0.57 0.64 0.07 0.00 -2.23 0.00 0.00 60.65 59.70 2udp s ILE 74 Cb -0.26 -3.41 -0.08 0.00 -1.58 0.00 0.00 42.46 37.14 2udp s ILE 74 CO 0.74 0.15 0.29 -0.90 -1.23 0.00 0.00 174.94 173.99 2udp n ASP 75 N 0.85 0.42 -3.70 3.58 5.68 -0.05 -4.83 116.55 118.50 2udp n ASP 75 Ca 0.00 -0.64 -0.14 0.00 -0.50 0.00 0.00 54.79 53.52 2udp n ASP 75 Cb 0.41 1.01 -0.09 0.00 -1.14 0.00 0.00 41.12 41.31 2udp n ASP 75 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2udp s THR 76 N -1.68 0.00 -0.06 2.12 -1.32 -1.18 -4.06 115.64 109.46 2udp s THR 76 Ca 0.02 -0.02 0.05 0.00 -1.21 0.00 0.00 61.69 60.54 2udp s THR 76 Cb 0.05 -0.71 -0.01 0.00 -1.51 0.00 0.00 72.50 70.32 2udp s THR 76 CO 0.29 -0.01 -0.23 -0.69 -2.21 0.00 0.00 174.62 171.76 2udp s VAL 77 N 0.15 2.24 -0.27 5.08 1.01 0.75 -2.31 120.40 127.05 2udp s VAL 77 Ca -0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 2udp s VAL 77 Cb -0.03 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.54 2udp s VAL 77 CO 0.01 0.57 -0.01 -0.63 0.00 0.00 0.00 175.10 175.04 2udp s ILE 78 N -0.19 3.26 -0.74 2.22 1.01 0.57 -0.83 121.20 126.50 2udp s ILE 78 Ca -0.02 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.60 2udp s ILE 78 Cb -0.14 -2.68 0.19 0.00 0.01 0.00 0.00 42.46 39.84 2udp s ILE 78 CO 0.03 0.13 0.63 -2.28 0.00 0.00 0.00 174.94 173.45 2udp s HIS 79 N 1.38 3.60 -0.13 3.97 2.46 -0.27 -0.78 115.29 125.52 2udp s HIS 79 Ca 0.01 -2.31 0.19 0.00 0.47 0.00 0.00 55.06 53.42 2udp s HIS 79 Cb -0.17 -3.55 -0.21 0.00 -0.13 0.00 0.00 32.58 28.52 2udp s HIS 79 CO -0.02 -0.92 0.55 1.19 -2.47 0.00 0.00 174.74 173.07 2udp n PHE 80 N 3.76 0.48 -1.74 3.88 3.72 -0.77 -2.84 117.46 123.95 2udp n PHE 80 Ca 0.11 0.16 -0.42 0.00 -0.05 0.00 0.00 57.45 57.25 2udp n PHE 80 Cb 0.43 -0.91 -0.01 0.00 -0.94 0.00 0.00 39.48 38.05 2udp n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2udp n ALA 81 N -2.44 2.10 0.00 4.37 0.00 -1.17 -4.82 120.51 118.55 2udp n ALA 81 Ca -0.14 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2udp n ALA 81 Cb 0.84 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2udp n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2udp n GLY 82 N 1.49 2.05 3.88 0.00 0.00 -1.26 -4.94 105.19 106.40 2udp n GLY 82 Ca 0.06 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 2udp n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2udp s LEU 83 N 0.00 4.22 0.00 0.99 1.43 -1.26 -5.03 118.68 119.03 2udp s LEU 83 Ca 0.00 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 2udp s LEU 83 Cb 0.00 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2udp s LEU 83 CO 0.00 -0.00 0.51 2.29 0.23 0.00 0.00 176.35 179.37 2udp n LYS 84 N 0.07 0.00 -2.66 1.70 2.85 -1.26 -4.98 118.16 113.88 2udp n LYS 84 Ca -0.01 -0.46 -0.42 0.00 -1.05 0.00 0.00 58.31 56.36 2udp n LYS 84 Cb 0.52 -0.35 -0.03 0.00 -0.65 0.00 0.00 35.03 34.52 2udp n LYS 84 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2udp s ALA 85 N 0.00 3.05 0.12 0.58 0.00 -1.26 -4.95 121.76 119.30 2udp s ALA 85 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 2udp s ALA 85 Cb 0.00 -3.94 -0.09 0.00 0.00 0.00 0.00 23.12 19.09 2udp s ALA 85 CO 0.00 -2.57 1.60 0.28 0.00 0.00 0.00 175.76 175.06 2udp h VAL 86 N 6.11 0.20 -0.42 0.00 2.07 -2.00 -1.81 116.25 120.41 2udp h VAL 86 Ca -0.25 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.33 2udp h VAL 86 Cb 1.06 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 2udp h VAL 86 CO 1.16 0.00 0.08 1.23 0.02 0.00 0.00 177.57 180.05 2udp h GLY 87 N -0.60 0.49 1.83 2.17 0.00 -1.97 -2.01 103.07 102.98 2udp h GLY 87 Ca 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2udp h GLY 87 CO -0.24 -0.05 -0.05 0.83 0.00 0.00 0.00 176.54 177.03 2udp h GLU 88 N 0.21 0.22 -0.14 4.80 5.08 -1.97 -1.90 114.58 120.88 2udp h GLU 88 Ca 0.21 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2udp h GLU 88 Cb 0.26 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2udp h GLU 88 CO -0.27 0.29 0.07 0.66 -1.00 0.00 0.00 179.01 178.76 2udp h SER 89 N 0.22 0.17 0.34 1.42 4.64 -0.56 0.31 113.55 120.08 2udp h SER 89 Ca 0.05 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.22 2udp h SER 89 Cb 0.24 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2udp h SER 89 CO 0.01 0.15 -0.58 0.58 -0.87 0.00 0.00 176.83 176.12 2udp h VAL 90 N 0.20 1.38 0.00 0.95 2.07 -1.19 -2.25 116.25 117.41 2udp h VAL 90 Ca 0.05 -1.92 -0.16 0.00 0.82 0.00 0.00 66.70 65.48 2udp h VAL 90 Cb 0.02 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 2udp h VAL 90 CO -0.01 0.57 -1.00 1.56 0.02 0.00 0.00 177.57 178.72 2udp h GLN 91 N 0.18 0.00 -2.08 1.57 4.20 -1.15 -3.38 115.11 114.45 2udp h GLN 91 Ca -0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 2udp h GLN 91 Cb 1.07 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.45 2udp h GLN 91 CO 0.09 0.55 -0.98 1.63 -0.67 0.00 0.00 178.83 179.45 2udp n LYS 92 N -3.14 1.56 -0.33 1.46 5.02 0.95 -4.95 118.16 118.73 2udp n LYS 92 Ca -0.04 -3.81 0.01 0.00 -2.02 0.00 0.00 58.31 52.46 2udp n LYS 92 Cb 0.84 -1.75 0.15 0.00 -0.02 0.00 0.00 35.03 34.25 2udp n LYS 92 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2udp h PRO 93 N 3.46 1.00 -0.80 1.97 0.13 -1.60 -3.09 132.00 133.06 2udp h PRO 93 Ca 0.11 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 2udp h PRO 93 Cb 0.81 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 31.68 2udp h PRO 93 CO 0.60 0.66 0.36 -0.07 -0.23 0.00 0.00 178.00 179.32 2udp h LEU 94 N 1.03 1.07 -1.11 1.56 3.38 -1.93 -1.51 115.31 117.81 2udp h LEU 94 Ca 0.39 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 2udp h LEU 94 Cb 0.17 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2udp h LEU 94 CO -0.17 0.93 0.29 -0.08 0.09 0.00 0.00 178.44 179.50 2udp h GLU 95 N 1.15 0.92 0.43 1.13 4.81 -1.95 0.78 114.58 121.86 2udp h GLU 95 Ca 0.27 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2udp h GLU 95 Cb 0.16 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2udp h GLU 95 CO -0.03 0.73 -0.21 1.88 -0.73 0.00 0.00 179.01 180.65 2udp h TYR 96 N 0.92 -0.54 -0.80 0.92 -1.99 -1.23 -1.05 116.97 113.19 2udp h TYR 96 Ca 0.22 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.94 2udp h TYR 96 Cb 0.12 0.18 -0.04 0.00 2.00 0.00 0.00 36.73 38.99 2udp h TYR 96 CO 0.01 -0.26 0.52 1.88 -0.00 0.00 0.00 178.16 180.31 2udp h TYR 97 N -0.74 1.02 0.23 4.88 0.05 -1.06 0.11 116.97 121.46 2udp h TYR 97 Ca -0.06 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 2udp h TYR 97 Cb 0.52 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.92 2udp h TYR 97 CO -0.01 0.65 -0.11 0.22 -1.05 0.00 0.00 178.16 177.86 2udp h ASP 98 N 1.09 -0.26 -0.04 3.88 3.58 -0.83 0.11 116.42 123.95 2udp h ASP 98 Ca 0.29 -0.15 -0.16 0.00 0.42 0.00 0.00 57.03 57.43 2udp h ASP 98 Cb -0.10 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2udp h ASP 98 CO -0.06 0.00 -0.52 0.78 -2.88 0.00 0.00 179.24 176.56 2udp h ASN 99 N -0.53 0.68 0.00 2.28 2.35 -1.04 0.28 115.58 119.60 2udp h ASN 99 Ca -0.03 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.35 2udp h ASN 99 Cb 0.39 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 2udp h ASN 99 CO 0.05 1.08 -0.54 0.78 -1.65 0.00 0.00 177.43 177.15 2udp h ASN 100 N 0.48 0.00 0.35 5.81 2.35 -0.84 -3.18 115.58 120.55 2udp h ASN 100 Ca 0.02 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2udp h ASN 100 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2udp h ASN 100 CO 0.10 0.79 -0.17 0.58 -1.65 0.00 0.00 177.43 177.09 2udp h VAL 101 N -1.00 0.32 -0.42 2.81 2.07 -0.98 -2.73 116.25 116.32 2udp h VAL 101 Ca -0.02 -0.73 -0.12 0.00 0.82 0.00 0.00 66.70 66.65 2udp h VAL 101 Cb 0.54 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2udp h VAL 101 CO -0.01 0.08 -0.22 -1.13 0.02 0.00 0.00 177.57 176.30 2udp h ASN 102 N -1.03 0.86 -0.61 0.57 -1.24 -0.95 -0.48 115.58 112.71 2udp h ASN 102 Ca -0.05 -0.32 0.07 0.00 0.71 0.00 0.00 56.30 56.72 2udp h ASN 102 Cb 0.48 -0.24 -0.06 0.00 0.73 0.00 0.00 38.32 39.23 2udp h ASN 102 CO 0.08 1.05 0.28 1.23 -1.29 0.00 0.00 177.43 178.78 2udp h GLY 103 N 0.94 0.87 1.06 1.57 0.00 -0.42 0.28 103.07 107.36 2udp h GLY 103 Ca 0.10 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.14 2udp h GLY 103 CO 0.06 0.06 -0.14 -0.84 0.00 0.00 0.00 176.54 175.67 2udp h THR 104 N 0.51 1.27 -0.52 4.70 2.02 -1.23 -1.88 112.91 117.79 2udp h THR 104 Ca 0.29 -1.28 0.04 0.00 0.77 0.00 0.00 66.41 66.23 2udp h THR 104 Cb 0.28 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 2udp h THR 104 CO -0.24 0.44 0.27 0.25 0.37 0.00 0.00 175.52 176.61 2udp h LEU 105 N 0.78 0.40 -0.65 2.58 5.85 -0.18 0.82 115.31 124.91 2udp h LEU 105 Ca 0.12 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2udp h LEU 105 Cb 0.70 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2udp h LEU 105 CO 0.05 0.28 0.32 0.03 -0.34 0.00 0.00 178.44 178.78 2udp h ARG 106 N 0.53 0.93 -0.12 1.25 2.47 -0.35 -0.56 114.38 118.52 2udp h ARG 106 Ca 0.22 -0.13 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 2udp h ARG 106 Cb 0.11 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 2udp h ARG 106 CO -0.14 0.73 0.07 1.25 0.56 0.00 0.00 179.97 182.44 2udp h LEU 107 N 0.89 0.14 -0.97 3.04 5.85 -0.64 -0.89 115.31 122.73 2udp h LEU 107 Ca 0.22 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 2udp h LEU 107 Cb 0.11 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2udp h LEU 107 CO -0.03 0.14 -0.33 0.16 -0.34 0.00 0.00 178.44 178.04 2udp h ILE 108 N 0.13 0.78 -0.38 4.05 3.07 -0.71 -1.59 117.51 122.87 2udp h ILE 108 Ca 0.04 -1.41 -0.14 0.00 1.55 0.00 0.00 64.86 64.90 2udp h ILE 108 Cb 0.02 1.89 -0.01 0.00 -0.27 0.00 0.00 36.82 38.45 2udp h ILE 108 CO -0.01 0.32 -0.32 0.28 -1.05 0.00 0.00 178.15 177.37 2udp h SER 109 N 0.00 0.89 -0.61 2.16 0.02 -0.70 -1.94 113.55 113.37 2udp h SER 109 Ca -0.00 -0.38 -0.06 0.00 -0.84 0.00 0.00 61.79 60.52 2udp h SER 109 Cb 0.86 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 2udp h SER 109 CO 0.04 1.14 0.17 0.00 -1.14 0.00 0.00 176.83 177.03 2udp h ALA 110 N 0.91 0.80 -0.42 3.77 0.00 -0.77 -2.09 119.26 121.46 2udp h ALA 110 Ca 0.07 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.82 2udp h ALA 110 Cb 0.88 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2udp h ALA 110 CO 0.08 0.50 0.12 0.52 0.00 0.00 0.00 179.25 180.46 2udp h MET 111 N 0.88 0.26 -0.93 0.00 2.07 -0.99 0.02 114.93 116.25 2udp h MET 111 Ca 0.19 -0.02 0.01 0.00 -2.07 0.00 0.00 59.70 57.82 2udp h MET 111 Cb 0.33 -0.06 -0.05 0.00 -1.87 0.00 0.00 31.60 29.95 2udp h MET 111 CO -0.00 0.17 0.61 0.00 1.07 0.00 0.00 176.91 178.76 2udp h ARG 112 N 0.27 1.22 -0.55 1.72 2.47 -1.18 0.49 114.38 118.83 2udp h ARG 112 Ca 0.20 -0.07 -0.11 0.00 -1.26 0.00 0.00 59.98 58.74 2udp h ARG 112 Cb 0.21 -0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 28.24 2udp h ARG 112 CO -0.23 0.81 -0.07 0.00 0.56 0.00 0.00 179.97 181.04 2udp h ALA 113 N 1.42 0.76 -0.01 0.04 0.00 -0.64 -2.88 119.26 117.95 2udp h ALA 113 Ca 0.34 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2udp h ALA 113 Cb -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2udp h ALA 113 CO -0.07 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.80 2udp n ALA 114 N -2.49 2.62 -2.84 0.00 0.00 -0.09 -4.95 120.51 112.77 2udp n ALA 114 Ca 0.02 -0.41 -0.15 0.00 0.00 0.00 0.00 53.44 52.89 2udp n ALA 114 Cb 0.38 -1.21 0.03 0.00 0.00 0.00 0.00 19.45 18.65 2udp n ALA 114 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2udp n ASN 115 N -0.04 -4.72 -4.80 0.00 4.05 0.14 -4.89 115.26 104.99 2udp n ASN 115 Ca 0.19 -0.22 -0.37 0.00 0.45 0.00 0.00 54.58 54.63 2udp n ASN 115 Cb 0.32 -3.54 -0.06 0.00 1.23 0.00 0.00 39.78 37.73 2udp n ASN 115 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2udp s VAL 116 N -3.01 5.18 0.00 3.44 1.01 0.92 -5.00 120.40 122.94 2udp s VAL 116 Ca 0.23 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2udp s VAL 116 Cb -0.10 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2udp s VAL 116 CO 0.29 0.51 0.66 0.29 0.00 0.00 0.00 175.10 176.85 2udp n LYS 117 N 2.48 1.13 -4.18 2.72 5.02 -1.26 -4.37 118.16 119.70 2udp n LYS 117 Ca -0.13 -0.86 -0.34 0.00 -2.02 0.00 0.00 58.31 54.95 2udp n LYS 117 Cb 0.52 -0.74 -0.13 0.00 -0.02 0.00 0.00 35.03 34.66 2udp n LYS 117 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2udp s ASN 118 N -0.40 4.47 0.01 4.39 0.01 -1.26 -1.31 114.94 120.85 2udp s ASN 118 Ca 0.00 -0.29 -0.00 0.00 -0.71 0.00 0.00 52.86 51.86 2udp s ASN 118 Cb 0.00 -1.75 -0.01 0.00 0.41 0.00 0.00 41.25 39.91 2udp s ASN 118 CO 0.00 0.06 -0.01 0.12 -1.51 0.00 0.00 177.10 175.77 2udp s PHE 119 N 0.98 0.09 -0.11 2.20 5.36 -0.72 -0.18 117.98 125.60 2udp s PHE 119 Ca 0.00 -0.18 0.01 0.00 -0.96 0.00 0.00 56.93 55.80 2udp s PHE 119 Cb -0.15 -0.06 0.02 0.00 -0.34 0.00 0.00 43.02 42.49 2udp s PHE 119 CO 0.01 -0.07 -0.13 0.42 -1.46 0.00 0.00 175.22 173.99 2udp s ILE 120 N -0.50 1.38 -0.11 3.12 1.01 -0.01 -1.14 121.20 124.95 2udp s ILE 120 Ca -0.06 -0.55 -0.02 0.00 0.00 0.00 0.00 60.65 60.03 2udp s ILE 120 Cb -0.03 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 2udp s ILE 120 CO -0.00 0.42 -0.03 0.12 0.00 0.00 0.00 174.94 175.45 2udp s PHE 121 N 1.20 3.06 -0.86 3.97 5.36 -0.17 -1.12 117.98 129.42 2udp s PHE 121 Ca -0.03 -0.03 -0.25 0.00 -0.96 0.00 0.00 56.93 55.66 2udp s PHE 121 Cb -0.14 -1.84 0.03 0.00 -0.34 0.00 0.00 43.02 40.73 2udp s PHE 121 CO -0.04 0.24 1.44 -1.12 -1.46 0.00 0.00 175.22 174.28 2udp s SER 122 N -0.38 6.17 0.47 6.13 0.01 -1.13 -2.11 113.70 122.87 2udp s SER 122 Ca 0.06 -0.83 -0.00 0.00 1.31 0.00 0.00 55.95 56.49 2udp s SER 122 Cb -0.12 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2udp s SER 122 CO 0.02 -1.80 0.02 -0.24 0.41 0.00 0.00 173.24 171.65 2udp n SER 123 N 9.73 0.03 -3.71 2.44 2.88 0.70 -4.97 113.62 120.71 2udp n SER 123 Ca 0.19 -1.02 -0.14 0.00 -1.33 0.00 0.00 58.87 56.57 2udp n SER 123 Cb 0.50 -0.02 -0.08 0.00 -0.75 0.00 0.00 64.21 63.87 2udp n SER 123 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2udp s SER 124 N -1.09 -0.27 0.00 -3.46 0.15 -1.26 -2.09 113.70 105.67 2udp s SER 124 Ca 0.02 0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.87 2udp s SER 124 Cb -0.00 0.37 0.21 0.00 -1.71 0.00 0.00 66.02 64.88 2udp s SER 124 CO 0.01 -0.51 1.11 0.00 1.20 0.00 0.00 173.24 175.04 2udp n ALA 125 N 1.06 1.26 0.25 5.45 0.00 0.14 -2.44 120.51 126.23 2udp n ALA 125 Ca -0.21 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.32 2udp n ALA 125 Cb 0.57 -1.08 0.64 0.00 0.00 0.00 0.00 19.45 19.59 2udp n ALA 125 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2udp h THR 126 N 0.00 0.79 -0.14 0.00 1.35 -1.94 -2.80 112.91 110.17 2udp h THR 126 Ca 0.00 -0.57 0.04 0.00 -0.55 0.00 0.00 66.41 65.34 2udp h THR 126 Cb 0.07 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 2udp h THR 126 CO 0.00 0.14 0.14 -0.37 -0.25 0.00 0.00 175.52 175.18 2udp h VAL 127 N 0.00 0.57 0.00 6.82 -1.51 -1.75 -0.92 116.25 119.46 2udp h VAL 127 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2udp h VAL 127 Cb 0.32 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 2udp h VAL 127 CO 0.02 0.00 0.00 1.88 -1.23 0.00 0.00 177.57 178.24 2udp h TYR 128 N 0.00 0.00 0.00 5.19 0.05 -1.74 0.15 116.97 120.62 2udp h TYR 128 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.85 2udp h TYR 128 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 2udp h TYR 128 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 2udp n GLY 129 N -0.40 1.39 3.43 3.88 0.00 -0.35 -3.26 105.19 109.89 2udp n GLY 129 Ca 0.00 -0.61 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 2udp n GLY 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2udp s ASP 130 N -4.00 6.98 -0.37 1.61 2.15 -1.26 -4.91 116.67 116.88 2udp s ASP 130 Ca 0.00 -2.84 -0.17 0.00 0.43 0.00 0.00 52.55 49.97 2udp s ASP 130 Cb 0.00 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 2udp s ASP 130 CO 0.00 -0.75 0.46 -1.58 -0.17 0.00 0.00 175.17 173.14 2udp s GLN 131 N 1.35 3.49 0.39 4.34 -0.44 -1.25 -4.94 119.66 122.60 2udp s GLN 131 Ca 0.37 -0.36 0.21 0.00 -2.50 0.00 0.00 55.36 53.09 2udp s GLN 131 Cb -0.05 -3.84 0.69 0.00 -1.64 0.00 0.00 33.01 28.16 2udp s GLN 131 CO -0.04 -0.67 1.73 -1.00 0.50 0.00 0.00 175.29 175.81 2udp h PRO 132 N 8.54 0.00 -6.43 1.67 0.13 -1.94 -3.42 132.00 130.54 2udp h PRO 132 Ca -0.28 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.28 2udp h PRO 132 Cb 1.13 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 2udp h PRO 132 CO 0.76 0.31 1.00 0.15 -0.23 0.00 0.00 178.00 179.99 2udp s LYS 133 N -3.50 3.80 -0.06 0.86 1.02 -1.26 -5.03 119.74 115.57 2udp s LYS 133 Ca 0.01 1.11 0.05 0.00 0.02 0.00 0.00 55.97 57.16 2udp s LYS 133 Cb 0.10 -3.93 -0.01 0.00 -0.52 0.00 0.00 37.83 33.47 2udp s LYS 133 CO 0.67 -1.27 -0.23 0.42 -0.92 0.00 0.00 175.35 174.01 2udp s ILE 134 N 4.70 2.23 0.85 2.17 1.09 -1.26 -4.15 121.20 126.83 2udp s ILE 134 Ca 0.57 -1.01 -0.11 0.00 -1.10 0.00 0.00 60.65 59.01 2udp s ILE 134 Cb -0.15 -1.82 0.15 0.00 -1.06 0.00 0.00 42.46 39.58 2udp s ILE 134 CO 0.26 0.57 1.19 -2.16 -0.10 0.00 0.00 174.94 174.70 2udp s PRO 135 N -0.19 1.23 0.08 2.79 0.04 -1.26 -5.07 135.00 132.62 2udp s PRO 135 Ca -0.02 -0.49 -0.30 0.00 0.04 0.00 0.00 61.00 60.22 2udp s PRO 135 Cb -0.13 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 2udp s PRO 135 CO 0.03 -1.94 1.12 0.71 0.04 0.00 0.00 177.00 176.96 2udp s TYR 136 N -3.60 3.54 -0.05 0.56 2.02 0.87 -4.69 117.35 116.00 2udp s TYR 136 Ca 0.69 1.48 0.02 0.00 -0.37 0.00 0.00 57.07 58.88 2udp s TYR 136 Cb -0.06 -3.31 -0.03 0.00 -0.40 0.00 0.00 41.96 38.16 2udp s TYR 136 CO 0.49 -0.79 -0.07 0.08 -1.57 0.00 0.00 175.55 173.69 2udp s VAL 137 N 0.67 3.66 0.62 0.71 1.01 -1.26 -0.95 120.40 124.86 2udp s VAL 137 Ca 0.54 -0.57 0.35 0.00 0.00 0.00 0.00 61.98 62.30 2udp s VAL 137 Cb -0.28 -2.52 0.38 0.00 0.00 0.00 0.00 36.38 33.97 2udp s VAL 137 CO 0.30 0.54 2.25 -0.33 0.00 0.00 0.00 175.10 177.86 2udp h GLU 138 N 5.05 0.00 0.00 2.72 3.07 -1.93 -1.24 114.58 122.25 2udp h GLU 138 Ca -0.49 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.37 2udp h GLU 138 Cb 1.17 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2udp h GLU 138 CO 0.53 0.00 -0.03 0.66 -1.40 0.00 0.00 179.01 178.77 2udp h SER 139 N 0.00 0.00 -3.47 1.42 4.64 -1.96 -3.46 113.55 110.72 2udp h SER 139 Ca 0.02 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.77 2udp h SER 139 Cb 0.14 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.35 2udp h SER 139 CO -0.00 0.03 0.42 0.49 -0.87 0.00 0.00 176.83 176.90 2udp n PHE 140 N -3.11 1.93 -1.91 4.77 3.01 -0.47 -4.94 117.46 116.74 2udp n PHE 140 Ca 0.03 0.51 -0.37 0.00 1.01 0.00 0.00 57.45 58.63 2udp n PHE 140 Cb 0.51 -2.34 0.04 0.00 -0.01 0.00 0.00 39.48 37.68 2udp n PHE 140 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 2udp s PRO 141 N -2.21 3.06 0.77 -1.08 0.02 -1.26 -4.96 135.00 129.34 2udp s PRO 141 Ca 0.62 2.02 -0.11 0.00 0.02 0.00 0.00 61.00 63.55 2udp s PRO 141 Cb -0.51 -2.10 0.06 0.00 0.02 0.00 0.00 34.50 31.97 2udp s PRO 141 CO 0.57 -1.19 1.08 0.95 -0.33 0.00 0.00 177.00 178.09 2udp s THR 142 N -1.44 3.38 0.00 0.99 -4.23 -1.26 -4.90 115.64 108.18 2udp s THR 142 Ca 0.74 0.45 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 2udp s THR 142 Cb -0.35 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2udp s THR 142 CO 0.40 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 2udp n GLY 143 N -1.43 4.46 3.14 3.99 0.00 0.51 -4.94 105.19 110.92 2udp n GLY 143 Ca 0.08 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 2udp n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2udp s THR 144 N 1.77 3.59 0.53 2.61 2.01 -1.26 -4.64 115.64 120.25 2udp s THR 144 Ca 0.00 -2.16 -0.22 0.00 0.31 0.00 0.00 61.69 59.62 2udp s THR 144 Cb 0.00 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 2udp s THR 144 CO 0.00 -0.75 1.35 -2.84 -0.69 0.00 0.00 174.62 171.69 2udp s PRO 145 N 0.97 3.23 0.19 4.92 0.02 -1.26 -4.52 135.00 138.55 2udp s PRO 145 Ca 0.09 2.21 0.19 0.00 0.02 0.00 0.00 61.00 63.51 2udp s PRO 145 Cb -0.23 -2.30 -0.00 0.00 0.02 0.00 0.00 34.50 31.99 2udp s PRO 145 CO -0.03 -1.11 1.09 1.96 -0.33 0.00 0.00 177.00 178.58 2udp h GLN 146 N 1.57 0.00 -6.13 5.54 7.50 -1.94 -3.43 115.11 118.22 2udp h GLN 146 Ca -0.51 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.11 2udp h GLN 146 Cb 1.29 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 28.76 2udp h GLN 146 CO 0.58 0.20 -0.51 -1.54 -1.50 0.00 0.00 178.83 176.06 2udp s SER 147 N -5.81 4.88 0.45 1.46 1.04 -1.26 -5.01 113.70 109.45 2udp s SER 147 Ca 0.00 -0.68 0.18 0.00 0.48 0.00 0.00 55.95 55.93 2udp s SER 147 Cb 0.08 -0.81 1.05 0.00 0.10 0.00 0.00 66.02 66.44 2udp s SER 147 CO 0.78 -0.31 1.97 -0.65 0.98 0.00 0.00 173.24 176.01 2udp h PRO 148 N 1.46 0.00 0.70 4.02 0.11 -1.88 -0.83 132.00 135.59 2udp h PRO 148 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 2udp h PRO 148 Cb 1.25 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 2udp h PRO 148 CO 0.62 0.22 -0.34 -0.92 -0.21 0.00 0.00 178.00 177.37 2udp h TYR 149 N 0.00 -0.88 -0.95 0.65 3.20 -1.85 -0.79 116.97 116.35 2udp h TYR 149 Ca -0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2udp h TYR 149 Cb 0.43 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 2udp h TYR 149 CO 0.00 -0.53 0.59 0.78 -1.64 0.00 0.00 178.16 177.37 2udp h GLY 150 N -1.02 1.36 1.01 1.82 0.00 -1.88 -2.53 103.07 101.83 2udp h GLY 150 Ca -0.10 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.69 2udp h GLY 150 CO 0.16 0.53 0.47 0.50 0.00 0.00 0.00 176.54 178.20 2udp h LYS 151 N 1.30 1.01 -0.76 4.80 1.57 -1.05 -1.89 116.57 121.54 2udp h LYS 151 Ca 0.34 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 2udp h LYS 151 Cb -0.09 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 31.96 2udp h LYS 151 CO -0.07 0.70 0.39 0.66 -0.57 0.00 0.00 179.45 180.56 2udp h SER 152 N 1.02 0.96 -0.01 0.86 4.64 -0.79 0.14 113.55 120.38 2udp h SER 152 Ca 0.27 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2udp h SER 152 Cb -0.07 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 61.78 2udp h SER 152 CO -0.05 0.79 0.00 0.11 -0.87 0.00 0.00 176.83 176.81 2udp h LYS 153 N 1.07 0.01 -0.32 4.77 1.79 -1.15 -0.36 116.57 122.38 2udp h LYS 153 Ca 0.27 -0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.75 2udp h LYS 153 Cb 0.07 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 2udp h LYS 153 CO -0.04 0.18 0.17 1.25 -1.08 0.00 0.00 179.45 179.94 2udp h LEU 154 N -0.17 0.28 -0.58 2.94 5.85 -0.89 -1.69 115.31 121.05 2udp h LEU 154 Ca 0.00 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.83 2udp h LEU 154 Cb 0.18 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.08 2udp h LEU 154 CO -0.00 0.20 0.16 0.24 -0.34 0.00 0.00 178.44 178.70 2udp h MET 155 N 0.36 0.30 -0.82 1.25 2.86 -0.61 -0.98 114.93 117.29 2udp h MET 155 Ca 0.13 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2udp h MET 155 Cb 0.02 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 2udp h MET 155 CO -0.07 0.20 0.54 0.28 1.06 0.00 0.00 176.91 178.92 2udp h VAL 156 N 0.31 1.19 -0.29 -2.22 2.07 -0.64 -1.35 116.25 115.32 2udp h VAL 156 Ca 0.30 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.50 2udp h VAL 156 Cb 0.41 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.13 2udp h VAL 156 CO -0.35 0.20 -0.05 -0.33 0.02 0.00 0.00 177.57 177.06 2udp h GLU 157 N 1.09 0.02 -0.32 1.57 5.08 -0.29 -1.24 114.58 120.49 2udp h GLU 157 Ca 0.31 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.55 2udp h GLU 157 Cb -0.09 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2udp h GLU 157 CO -0.08 0.02 -0.27 1.96 -1.00 0.00 0.00 179.01 179.63 2udp h GLN 158 N 0.02 0.66 0.13 2.33 4.20 -1.10 -1.23 115.11 120.13 2udp h GLN 158 Ca 0.14 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 2udp h GLN 158 Cb 0.20 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2udp h GLN 158 CO -0.28 0.86 -0.06 0.82 -0.67 0.00 0.00 178.83 179.50 2udp h ILE 159 N 0.57 0.92 -0.89 2.54 2.04 -0.94 -0.02 117.51 121.73 2udp h ILE 159 Ca 0.07 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.78 2udp h ILE 159 Cb 0.76 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 2udp h ILE 159 CO 0.06 0.05 0.55 -0.07 0.00 0.00 0.00 178.15 178.75 2udp h LEU 160 N -0.28 0.87 -0.51 1.44 3.38 -1.19 0.79 115.31 119.81 2udp h LEU 160 Ca -0.02 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2udp h LEU 160 Cb 0.23 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2udp h LEU 160 CO 0.03 0.55 0.33 0.74 0.09 0.00 0.00 178.44 180.18 2udp h THR 161 N 1.00 1.11 -0.26 0.22 2.02 -1.00 -0.37 112.91 115.63 2udp h THR 161 Ca 0.39 -0.23 -0.14 0.00 0.77 0.00 0.00 66.41 67.20 2udp h THR 161 Cb 0.19 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2udp h THR 161 CO -0.18 0.12 -0.43 0.44 0.37 0.00 0.00 175.52 175.84 2udp h ASP 162 N 0.67 0.68 -0.73 4.18 3.32 -0.20 -2.31 116.42 122.02 2udp h ASP 162 Ca 0.19 -0.32 0.03 0.00 0.02 0.00 0.00 57.03 56.96 2udp h ASP 162 Cb -0.05 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.27 2udp h ASP 162 CO -0.06 1.02 0.46 0.25 -1.72 0.00 0.00 179.24 179.20 2udp h LEU 163 N 0.51 0.77 -0.89 1.55 5.85 -0.41 -1.92 115.31 120.76 2udp h LEU 163 Ca 0.04 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 2udp h LEU 163 Cb 0.96 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2udp h LEU 163 CO 0.09 0.53 -0.15 -0.61 -0.34 0.00 0.00 178.44 177.96 2udp h GLN 164 N 0.91 0.65 -0.52 1.25 -0.00 -0.68 0.98 115.11 117.69 2udp h GLN 164 Ca 0.29 -0.22 -0.01 0.00 -0.00 0.00 0.00 58.65 58.71 2udp h GLN 164 Cb 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.41 2udp h GLN 164 CO -0.11 0.77 0.28 -0.22 0.00 0.00 0.00 178.83 179.55 2udp h LYS 165 N 0.58 0.74 0.00 1.69 3.64 -1.14 -0.02 116.57 122.07 2udp h LYS 165 Ca 0.10 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 2udp h LYS 165 Cb 0.59 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2udp h LYS 165 CO 0.04 0.58 -0.36 0.00 -2.27 0.00 0.00 179.45 177.44 2udp h ALA 166 N 1.11 0.89 -2.11 5.00 0.00 -1.00 -3.32 119.26 119.84 2udp h ALA 166 Ca 0.18 -0.33 -0.53 0.00 0.00 0.00 0.00 54.91 54.23 2udp h ALA 166 Cb 0.07 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 17.39 2udp h ALA 166 CO -0.03 0.45 -0.96 1.04 0.00 0.00 0.00 179.25 179.75 2udp n GLN 167 N -3.36 1.81 0.00 0.00 1.13 0.31 -4.98 117.38 112.28 2udp n GLN 167 Ca 0.01 -3.95 0.00 0.00 -1.94 0.00 0.00 57.00 51.12 2udp n GLN 167 Cb 0.56 -1.87 0.00 0.00 0.11 0.00 0.00 30.24 29.04 2udp n GLN 167 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2udp n PRO 168 N 0.28 0.00 0.03 -1.09 -0.05 -0.04 -0.87 135.00 133.25 2udp n PRO 168 Ca 0.27 0.13 0.13 0.00 -0.05 0.00 0.00 63.50 63.98 2udp n PRO 168 Cb 0.54 -1.58 0.40 0.00 -0.05 0.00 0.00 33.50 32.80 2udp n PRO 168 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 2udp n ASP 169 N -1.02 0.42 -4.77 3.54 5.75 -1.26 -4.36 116.55 114.85 2udp n ASP 169 Ca 0.00 0.25 -0.39 0.00 -0.01 0.00 0.00 54.79 54.63 2udp n ASP 169 Cb 0.08 -0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 39.92 2udp n ASP 169 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 2udp s TRP 170 N -3.05 3.05 -0.37 2.11 0.52 -0.05 -4.56 118.94 116.58 2udp s TRP 170 Ca 0.11 1.51 -0.08 0.00 0.02 0.00 0.00 56.10 57.66 2udp s TRP 170 Cb 0.16 -3.51 0.05 0.00 -1.15 0.00 0.00 33.47 29.02 2udp s TRP 170 CO 0.62 -1.55 0.17 0.45 0.02 0.00 0.00 176.95 176.67 2udp s SER 171 N -0.88 5.50 -0.22 2.95 0.15 -0.43 -1.24 113.70 119.53 2udp s SER 171 Ca 0.54 -1.23 -0.01 0.00 0.70 0.00 0.00 55.95 55.96 2udp s SER 171 Cb -0.34 -1.94 0.02 0.00 -1.71 0.00 0.00 66.02 62.05 2udp s SER 171 CO 0.44 -0.40 -0.12 -0.63 1.20 0.00 0.00 173.24 173.73 2udp s ILE 172 N 1.44 2.57 -0.27 6.45 1.01 0.17 -1.75 121.20 130.81 2udp s ILE 172 Ca 0.01 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 59.57 2udp s ILE 172 Cb -0.20 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2udp s ILE 172 CO 0.03 0.35 0.29 0.00 0.00 0.00 0.00 174.94 175.62 2udp s ALA 173 N 1.32 3.55 -0.71 9.38 0.00 -0.29 0.22 121.76 135.23 2udp s ALA 173 Ca 0.02 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 50.91 2udp s ALA 173 Cb -0.15 -2.60 0.18 0.00 0.00 0.00 0.00 23.12 20.55 2udp s ALA 173 CO -0.08 -0.58 0.66 -0.51 0.00 0.00 0.00 175.76 175.26 2udp s LEU 174 N 1.88 6.49 -0.48 0.00 1.43 0.25 -1.00 118.68 127.24 2udp s LEU 174 Ca 0.12 -2.30 -0.22 0.00 -1.03 0.00 0.00 54.13 50.69 2udp s LEU 174 Cb -0.16 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 43.88 2udp s LEU 174 CO 0.10 -0.70 0.74 -0.76 0.23 0.00 0.00 176.35 175.96 2udp s LEU 175 N 0.81 4.44 -0.44 1.79 1.43 -0.90 -1.57 118.68 124.24 2udp s LEU 175 Ca 0.12 -0.39 -0.25 0.00 -1.03 0.00 0.00 54.13 52.58 2udp s LEU 175 Cb -0.18 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.30 2udp s LEU 175 CO -0.04 -0.94 0.89 -0.13 0.23 0.00 0.00 176.35 176.37 2udp s ARG 176 N 3.16 3.56 0.38 1.70 0.52 -0.05 -0.21 118.95 128.01 2udp s ARG 176 Ca 0.25 0.17 -0.13 0.00 -0.52 0.00 0.00 55.73 55.50 2udp s ARG 176 Cb -0.14 -3.91 -0.08 0.00 0.52 0.00 0.00 34.95 31.35 2udp s ARG 176 CO 0.19 -1.15 0.78 0.71 0.02 0.00 0.00 175.30 175.84 2udp s TYR 177 N 3.61 3.43 0.00 -0.53 2.02 -0.89 -1.14 117.35 123.84 2udp s TYR 177 Ca 0.36 1.16 0.00 0.00 -0.37 0.00 0.00 57.07 58.21 2udp s TYR 177 Cb -0.11 -2.52 0.00 0.00 -0.40 0.00 0.00 41.96 38.94 2udp s TYR 177 CO 0.24 -0.05 0.00 1.19 -1.57 0.00 0.00 175.55 175.36 2udp n PHE 178 N -0.96 0.00 -3.76 2.71 3.01 -1.25 0.27 117.46 117.48 2udp n PHE 178 Ca 0.03 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.20 2udp n PHE 178 Cb 0.54 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.88 2udp n PHE 178 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 2udp s ASN 179 N -0.48 3.77 0.29 4.37 -0.87 -0.86 -4.86 114.94 116.29 2udp s ASN 179 Ca 0.00 -2.94 -0.29 0.00 -1.57 0.00 0.00 52.86 48.05 2udp s ASN 179 Cb 0.00 -1.20 -0.10 0.00 -0.02 0.00 0.00 41.25 39.93 2udp s ASN 179 CO 0.00 -0.22 1.39 -2.84 -2.57 0.00 0.00 177.10 172.86 2udp s PRO 180 N -0.10 4.29 0.28 -0.60 0.02 -1.26 -1.68 135.00 135.97 2udp s PRO 180 Ca 0.20 2.28 -0.10 0.00 0.02 0.00 0.00 61.00 63.40 2udp s PRO 180 Cb -0.19 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.25 2udp s PRO 180 CO -0.04 -0.33 0.51 0.14 -0.33 0.00 0.00 177.00 176.94 2udp s VAL 181 N -0.52 0.00 0.00 3.83 -7.23 0.13 -4.88 120.40 111.72 2udp s VAL 181 Ca 0.55 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 2udp s VAL 181 Cb -0.41 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2udp s VAL 181 CO 0.48 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.88 2udp n GLY 182 N -0.44 -1.82 3.66 2.32 0.00 -1.26 0.76 105.19 108.41 2udp n GLY 182 Ca -0.02 -1.81 -0.04 0.00 0.00 0.00 0.00 46.02 44.15 2udp n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2udp s ALA 183 N -1.63 -1.77 0.26 4.61 0.00 -1.26 -4.42 121.76 117.54 2udp s ALA 183 Ca 0.00 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.14 2udp s ALA 183 Cb 0.00 0.53 -0.13 0.00 0.00 0.00 0.00 23.12 23.52 2udp s ALA 183 CO 0.00 -0.93 1.41 1.58 0.00 0.00 0.00 175.76 177.83 2udp n HIS 184 N -0.39 2.27 0.29 0.00 -0.00 -1.05 -4.78 115.22 111.56 2udp n HIS 184 Ca -0.07 0.43 0.19 0.00 0.46 0.00 0.00 57.72 58.73 2udp n HIS 184 Cb 0.61 -2.47 0.98 0.00 -0.12 0.00 0.00 29.99 28.99 2udp n HIS 184 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2udp h PRO 185 N 4.04 0.00 0.00 1.57 0.13 -1.92 0.16 132.00 135.98 2udp h PRO 185 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2udp h PRO 185 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2udp h PRO 185 CO 0.74 0.00 -0.02 0.66 -0.23 0.00 0.00 178.00 179.15 2udp h SER 186 N 0.00 0.00 0.00 1.44 4.64 -1.92 -3.45 113.55 114.26 2udp h SER 186 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2udp h SER 186 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2udp h SER 186 CO 0.00 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 2udp n GLY 187 N -0.64 0.38 0.57 -0.77 0.00 0.56 -4.82 105.19 100.47 2udp n GLY 187 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2udp n GLY 187 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2udp n ASP 188 N -0.30 2.10 -3.88 1.61 8.00 -1.26 -4.24 116.55 118.58 2udp n ASP 188 Ca 0.00 -1.55 -0.11 0.00 0.71 0.00 0.00 54.79 53.84 2udp n ASP 188 Cb 0.15 0.32 -0.11 0.00 -0.02 0.00 0.00 41.12 41.45 2udp n ASP 188 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2udp s MET 189 N -2.36 0.33 0.00 -1.24 -1.94 -1.26 -5.02 119.30 107.81 2udp s MET 189 Ca 0.22 -0.25 0.00 0.00 -1.71 0.00 0.00 55.69 53.95 2udp s MET 189 Cb 0.19 0.14 0.00 0.00 2.01 0.00 0.00 34.83 37.16 2udp s MET 189 CO 0.50 -0.07 0.00 0.41 -0.01 0.00 0.00 175.02 175.85 2udp n GLY 190 N 2.01 -1.57 3.77 -0.03 0.00 -1.26 -2.52 105.19 105.59 2udp n GLY 190 Ca -0.19 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 2udp n GLY 190 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2udp s GLU 191 N -1.79 3.94 -0.41 1.61 2.12 -1.26 -4.88 118.70 118.04 2udp s GLU 191 Ca 0.00 1.78 0.09 0.00 0.36 0.00 0.00 54.97 57.20 2udp s GLU 191 Cb 0.00 -2.55 0.28 0.00 0.26 0.00 0.00 34.13 32.12 2udp s GLU 191 CO 0.00 -0.40 0.69 -3.47 -0.54 0.00 0.00 175.26 171.54 2udp n ASP 192 N -0.17 -0.32 -4.77 -1.70 2.03 -1.26 -5.00 116.55 105.36 2udp n ASP 192 Ca 0.06 -2.96 -0.39 0.00 0.52 0.00 0.00 54.79 52.01 2udp n ASP 192 Cb 0.47 -0.04 -0.01 0.00 -0.72 0.00 0.00 41.12 40.83 2udp n ASP 192 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2udp s PRO 193 N -1.13 3.97 0.28 -0.67 0.04 -1.26 -4.97 135.00 131.26 2udp s PRO 193 Ca 0.35 2.14 -0.07 0.00 0.04 0.00 0.00 61.00 63.46 2udp s PRO 193 Cb 0.24 -2.75 -0.06 0.00 0.04 0.00 0.00 34.50 31.97 2udp s PRO 193 CO -0.12 -0.49 0.58 -0.65 0.04 0.00 0.00 177.00 176.37 2udp s GLN 194 N -2.24 3.71 4.14 4.56 -1.52 -1.26 -4.91 119.66 122.14 2udp s GLN 194 Ca 0.57 0.16 0.00 0.00 -1.95 0.00 0.00 55.36 54.14 2udp s GLN 194 Cb -0.38 -2.61 0.00 0.00 -0.22 0.00 0.00 33.01 29.80 2udp s GLN 194 CO 0.48 0.21 0.00 0.41 -0.25 0.00 0.00 175.29 176.15 2udp n GLY 195 N -0.71 1.03 3.60 3.09 0.00 -1.26 -4.45 105.19 106.50 2udp n GLY 195 Ca -0.00 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 2udp n GLY 195 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2udp s ILE 196 N 0.00 4.56 0.30 -0.61 1.01 -1.26 -5.03 121.20 120.17 2udp s ILE 196 Ca 0.00 1.21 -0.29 0.00 0.00 0.00 0.00 60.65 61.57 2udp s ILE 196 Cb 0.00 -4.36 -0.10 0.00 0.01 0.00 0.00 42.46 38.01 2udp s ILE 196 CO 0.00 -0.57 1.43 -2.16 0.00 0.00 0.00 174.94 173.64 2udp s PRO 197 N 3.55 4.24 0.09 2.79 0.04 -1.26 -4.93 135.00 139.52 2udp s PRO 197 Ca 0.39 2.36 0.07 0.00 0.04 0.00 0.00 61.00 63.87 2udp s PRO 197 Cb -0.12 -3.06 -0.22 0.00 0.04 0.00 0.00 34.50 31.15 2udp s PRO 197 CO 0.19 -0.40 1.17 -0.91 0.04 0.00 0.00 177.00 177.09 2udp h ASN 198 N 4.17 0.02 -3.22 6.66 2.35 -1.96 -3.45 115.58 120.16 2udp h ASN 198 Ca -0.48 -0.02 -0.51 0.00 -0.55 0.00 0.00 56.30 54.74 2udp h ASN 198 Cb 1.22 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 2udp h ASN 198 CO 0.72 1.02 -0.11 0.20 -1.65 0.00 0.00 177.43 177.61 2udp s ASN 199 N -6.63 6.42 0.08 5.81 0.02 -1.26 -5.02 114.94 114.35 2udp s ASN 199 Ca -0.00 0.73 -0.27 0.00 -1.02 0.00 0.00 52.86 52.29 2udp s ASN 199 Cb 0.10 -2.15 -0.17 0.00 0.02 0.00 0.00 41.25 39.05 2udp s ASN 199 CO 0.82 -0.25 1.66 0.25 0.02 0.00 0.00 177.10 179.61 2udp h LEU 200 N 1.43 -0.34 0.14 0.60 5.85 -2.00 -2.81 115.31 118.19 2udp h LEU 200 Ca -0.48 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2udp h LEU 200 Cb 1.19 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2udp h LEU 200 CO 0.65 -0.22 -0.15 -0.03 -0.34 0.00 0.00 178.44 178.35 2udp h MET 201 N -0.42 -0.31 -0.82 1.25 4.05 -1.95 -1.00 114.93 115.72 2udp h MET 201 Ca -0.04 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.46 2udp h MET 201 Cb 0.32 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.14 2udp h MET 201 CO 0.07 -0.21 0.50 -1.00 0.23 0.00 0.00 176.91 176.50 2udp h PRO 202 N -0.32 0.90 0.21 0.39 0.13 -1.97 -0.92 132.00 130.43 2udp h PRO 202 Ca 0.01 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2udp h PRO 202 Cb 0.31 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.21 2udp h PRO 202 CO -0.04 0.60 -0.22 -0.92 -0.23 0.00 0.00 178.00 177.19 2udp h TYR 203 N 0.93 -0.57 -0.57 1.56 5.03 -1.16 0.15 116.97 122.34 2udp h TYR 203 Ca 0.35 0.00 0.11 0.00 2.58 0.00 0.00 58.73 61.78 2udp h TYR 203 Cb 0.15 0.22 -0.09 0.00 1.55 0.00 0.00 36.73 38.57 2udp h TYR 203 CO -0.04 -0.32 0.07 0.82 -1.32 0.00 0.00 178.16 177.37 2udp h ILE 204 N -0.47 0.61 -0.40 1.81 2.04 -0.94 0.55 117.51 120.72 2udp h ILE 204 Ca -0.00 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2udp h ILE 204 Cb 0.44 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2udp h ILE 204 CO -0.05 0.04 0.13 0.00 0.00 0.00 0.00 178.15 178.26 2udp h ALA 205 N 1.47 1.49 -0.11 1.87 0.00 -0.73 0.57 119.26 123.82 2udp h ALA 205 Ca 0.29 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 2udp h ALA 205 Cb 0.44 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2udp h ALA 205 CO -0.42 0.39 -0.86 1.96 0.00 0.00 0.00 179.25 180.32 2udp h GLN 206 N 0.56 0.78 0.40 0.00 4.20 0.24 0.17 115.11 121.45 2udp h GLN 206 Ca 0.14 -0.69 -0.01 0.00 0.06 0.00 0.00 58.65 58.15 2udp h GLN 206 Cb 0.16 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2udp h GLN 206 CO -0.01 1.28 -0.30 0.28 -0.67 0.00 0.00 178.83 179.41 2udp h VAL 207 N 0.51 0.37 -0.67 -0.54 2.07 0.58 0.76 116.25 119.32 2udp h VAL 207 Ca -0.08 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.58 2udp h VAL 207 Cb 1.49 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2udp h VAL 207 CO 0.17 0.00 0.45 0.00 0.02 0.00 0.00 177.57 178.22 2udp h ALA 208 N -0.19 2.16 -0.21 1.67 0.00 0.26 0.23 119.26 123.18 2udp h ALA 208 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2udp h ALA 208 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2udp h ALA 208 CO -0.00 -0.34 0.00 1.55 0.00 0.00 0.00 179.25 180.46 2udp n VAL 209 N -4.46 0.28 -0.99 0.00 3.14 0.57 -4.91 118.33 111.96 2udp n VAL 209 Ca 0.12 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 2udp n VAL 209 Cb 0.50 0.37 0.00 0.00 -1.06 0.00 0.00 33.84 33.66 2udp n VAL 209 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2udp n GLY 210 N 1.14 0.40 0.08 7.55 0.00 0.82 -4.93 105.19 110.25 2udp n GLY 210 Ca 0.16 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.37 2udp n GLY 210 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2udp h ARG 211 N 0.16 0.00 -3.93 1.61 3.08 0.35 -3.47 114.38 112.18 2udp h ARG 211 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 2udp h ARG 211 Cb 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 29.82 2udp h ARG 211 CO 0.00 0.00 -0.71 1.03 -1.07 0.00 0.00 179.97 179.22 2udp s ARG 212 N -3.22 0.23 -0.07 0.04 3.00 -0.99 -4.90 118.95 113.04 2udp s ARG 212 Ca 0.04 -0.44 -0.23 0.00 0.00 0.00 0.00 55.73 55.11 2udp s ARG 212 Cb 0.12 0.06 -0.18 0.00 0.00 0.00 0.00 34.95 34.95 2udp s ARG 212 CO 0.75 -0.03 0.85 -0.44 0.00 0.00 0.00 175.30 176.42 2udp h ASP 213 N 5.08 -0.09 -3.66 0.23 5.19 -1.90 -3.38 116.42 117.89 2udp h ASP 213 Ca -0.30 -0.53 -0.12 0.00 -0.62 0.00 0.00 57.03 55.46 2udp h ASP 213 Cb 1.21 0.02 -0.25 0.00 0.18 0.00 0.00 39.33 40.49 2udp h ASP 213 CO 0.44 0.57 -0.27 -0.55 -3.12 0.00 0.00 179.24 176.31 2udp s SER 214 N -5.72 -0.44 0.05 6.45 0.15 -1.26 -4.79 113.70 108.14 2udp s SER 214 Ca -0.14 0.82 -0.30 0.00 0.70 0.00 0.00 55.95 57.03 2udp s SER 214 Cb -0.00 0.79 -0.05 0.00 -1.71 0.00 0.00 66.02 65.04 2udp s SER 214 CO 0.53 -0.16 1.14 -0.22 1.20 0.00 0.00 173.24 175.74 2udp s LEU 215 N 0.61 4.37 -0.27 3.45 2.96 -0.68 -4.85 118.68 124.28 2udp s LEU 215 Ca -0.03 1.93 -0.21 0.00 -0.22 0.00 0.00 54.13 55.59 2udp s LEU 215 Cb -0.05 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 2udp s LEU 215 CO -0.04 -0.41 0.68 0.00 -1.32 0.00 0.00 176.35 175.25 2udp s ALA 216 N 1.02 3.59 -0.31 5.97 0.00 -1.26 -0.18 121.76 130.59 2udp s ALA 216 Ca 0.57 -0.43 -0.20 0.00 0.00 0.00 0.00 51.96 51.90 2udp s ALA 216 Cb -0.27 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 2udp s ALA 216 CO 0.29 -0.92 0.63 0.42 0.00 0.00 0.00 175.76 176.18 2udp s ILE 217 N 2.62 4.93 -0.52 0.00 1.01 0.17 -4.89 121.20 124.52 2udp s ILE 217 Ca 0.28 0.81 -0.28 0.00 0.00 0.00 0.00 60.65 61.45 2udp s ILE 217 Cb -0.15 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.33 2udp s ILE 217 CO 0.09 -0.17 1.28 -0.36 0.00 0.00 0.00 174.94 175.78 2udp s PHE 218 N 2.63 2.54 0.00 3.97 0.08 -1.26 -1.02 117.98 124.91 2udp s PHE 218 Ca 0.25 0.56 0.00 0.00 0.12 0.00 0.00 56.93 57.86 2udp s PHE 218 Cb -0.15 -4.43 0.00 0.00 -0.57 0.00 0.00 43.02 37.87 2udp s PHE 218 CO 0.12 -1.68 0.00 0.41 -0.10 0.00 0.00 175.22 173.97 2udp n GLY 219 N 5.06 -2.87 0.00 4.36 0.00 0.21 -4.54 105.19 107.42 2udp n GLY 219 Ca 0.12 -1.07 0.02 0.00 0.00 0.00 0.00 46.02 45.09 2udp n GLY 219 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2udp n ASN 220 N -0.64 1.20 0.13 1.61 0.23 -1.26 -4.45 115.26 112.08 2udp n ASN 220 Ca 0.00 -0.45 0.01 0.00 -0.53 0.00 0.00 54.58 53.62 2udp n ASN 220 Cb 0.00 1.06 0.01 0.00 -2.08 0.00 0.00 39.78 38.77 2udp n ASN 220 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 2udp h ASP 221 N 0.00 0.00 -0.84 0.53 3.04 -1.90 -3.38 116.42 113.87 2udp h ASP 221 Ca 0.00 0.00 -0.59 0.00 -3.24 0.00 0.00 57.03 53.20 2udp h ASP 221 Cb 0.14 0.00 0.08 0.00 -1.04 0.00 0.00 39.33 38.51 2udp h ASP 221 CO 0.00 0.55 -0.28 -1.22 -2.04 0.00 0.00 179.24 176.25 2udp n TYR 222 N -3.23 -0.10 0.03 4.15 4.01 0.47 -4.66 117.16 117.84 2udp n TYR 222 Ca 0.01 0.84 0.00 0.00 -0.16 0.00 0.00 57.90 58.59 2udp n TYR 222 Cb 0.76 -1.68 0.00 0.00 -0.31 0.00 0.00 39.34 38.11 2udp n TYR 222 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2udp n PRO 223 N 0.97 0.03 -2.21 -0.72 -0.01 -1.26 -3.67 135.00 128.14 2udp n PRO 223 Ca 0.16 0.00 -0.17 0.00 -0.01 0.00 0.00 63.50 63.47 2udp n PRO 223 Cb 0.16 -1.36 0.08 0.00 -0.01 0.00 0.00 33.50 32.38 2udp n PRO 223 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 2udp n THR 224 N 0.85 0.00 0.33 3.45 -2.24 -1.26 -4.94 114.28 110.46 2udp n THR 224 Ca 0.00 -1.28 0.15 0.00 -2.27 0.00 0.00 64.05 60.66 2udp n THR 224 Cb 0.01 -0.93 0.57 0.00 -2.10 0.00 0.00 70.33 67.89 2udp n THR 224 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2udp h GLU 225 N 0.00 0.00 0.00 -0.78 4.81 -1.88 -3.08 114.58 113.65 2udp h GLU 225 Ca -0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2udp h GLU 225 Cb 0.95 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.33 2udp h GLU 225 CO 0.28 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.16 2udp n ASP 226 N -2.79 0.40 0.00 1.04 5.68 -1.26 -5.00 116.55 114.61 2udp n ASP 226 Ca 0.02 -0.95 0.00 0.00 -0.50 0.00 0.00 54.79 53.36 2udp n ASP 226 Cb 0.31 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 2udp n ASP 226 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2udp n GLY 227 N 0.03 2.90 3.89 6.12 0.00 -1.17 -4.89 105.19 112.07 2udp n GLY 227 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2udp n GLY 227 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2udp s THR 228 N -2.58 4.90 0.20 2.61 -4.23 -1.26 -0.39 115.64 114.88 2udp s THR 228 Ca 0.00 0.34 -0.33 0.00 -1.18 0.00 0.00 61.69 60.52 2udp s THR 228 Cb 0.00 -3.75 -0.14 0.00 1.34 0.00 0.00 72.50 69.95 2udp s THR 228 CO 0.00 -0.48 1.49 0.61 -0.54 0.00 0.00 174.62 175.70 2udp n GLY 229 N -1.28 0.94 3.63 3.99 0.00 -1.26 -4.58 105.19 106.64 2udp n GLY 229 Ca 0.00 0.57 -0.35 0.00 0.00 0.00 0.00 46.02 46.25 2udp n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2udp s VAL 230 N 0.40 4.38 0.10 1.61 1.01 -0.71 -1.02 120.40 126.17 2udp s VAL 230 Ca 0.73 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 62.44 2udp s VAL 230 Cb -0.67 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 2udp s VAL 230 CO 0.44 0.54 0.18 -0.13 0.00 0.00 0.00 175.10 176.13 2udp s ARG 231 N -0.25 0.87 -0.67 2.72 1.81 -0.96 -1.87 118.95 120.59 2udp s ARG 231 Ca 0.06 -1.03 -0.18 0.00 -1.72 0.00 0.00 55.73 52.86 2udp s ARG 231 Cb -0.12 0.33 0.12 0.00 -0.45 0.00 0.00 34.95 34.83 2udp s ARG 231 CO 0.02 -0.27 0.77 0.34 -0.68 0.00 0.00 175.30 175.48 2udp s ASP 232 N -2.89 6.32 0.03 0.23 -1.08 -1.12 -1.76 116.67 116.41 2udp s ASP 232 Ca 0.08 -1.70 -0.27 0.00 -0.52 0.00 0.00 52.55 50.14 2udp s ASP 232 Cb 0.05 -2.30 -0.05 0.00 -1.46 0.00 0.00 42.92 39.16 2udp s ASP 232 CO -0.09 -1.03 0.83 -0.31 0.52 0.00 0.00 175.17 175.09 2udp s TYR 233 N 2.33 3.71 -0.06 -5.34 2.02 -1.26 -2.03 117.35 116.72 2udp s TYR 233 Ca 0.15 1.54 0.02 0.00 -0.37 0.00 0.00 57.07 58.41 2udp s TYR 233 Cb -0.20 -2.91 0.02 0.00 -0.40 0.00 0.00 41.96 38.47 2udp s TYR 233 CO 0.02 0.18 -0.10 -1.50 -1.57 0.00 0.00 175.55 172.58 2udp s ILE 234 N 0.29 0.93 0.14 2.71 2.07 -0.67 -4.37 121.20 122.31 2udp s ILE 234 Ca 0.42 -0.35 -0.31 0.00 -1.41 0.00 0.00 60.65 58.99 2udp s ILE 234 Cb -0.21 -0.88 -0.10 0.00 0.13 0.00 0.00 42.46 41.40 2udp s ILE 234 CO 0.24 0.31 1.70 -2.28 -1.91 0.00 0.00 174.94 173.00 2udp s HIS 235 N 0.78 2.64 0.54 3.50 5.65 -1.25 -0.69 115.29 126.45 2udp s HIS 235 Ca -0.13 0.31 0.27 0.00 0.25 0.00 0.00 55.06 55.76 2udp s HIS 235 Cb -0.15 -4.06 1.44 0.00 -1.18 0.00 0.00 32.58 28.63 2udp s HIS 235 CO 0.02 -4.14 1.98 -0.24 -0.65 0.00 0.00 174.74 171.70 2udp h VAL 236 N 4.31 0.64 -0.25 0.89 3.04 0.05 -0.51 116.25 124.42 2udp h VAL 236 Ca -0.44 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.09 2udp h VAL 236 Cb 1.21 0.70 -0.00 0.00 -2.01 0.00 0.00 31.29 31.18 2udp h VAL 236 CO 0.94 0.00 -0.51 0.24 -1.01 0.00 0.00 177.57 177.23 2udp h MET 237 N 0.00 0.71 -0.68 4.17 2.86 -1.89 0.23 114.93 120.33 2udp h MET 237 Ca 0.26 -0.43 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 2udp h MET 237 Cb 1.10 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.77 2udp h MET 237 CO -0.00 1.05 0.13 -0.44 1.06 0.00 0.00 176.91 178.71 2udp h ASP 238 N 0.55 1.06 -0.00 1.22 3.32 -1.51 -1.97 116.42 119.10 2udp h ASP 238 Ca 0.02 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 2udp h ASP 238 Cb 1.08 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 2udp h ASP 238 CO 0.11 1.04 0.00 0.25 -1.72 0.00 0.00 179.24 178.92 2udp h LEU 239 N 1.05 0.00 -0.57 1.55 5.85 -1.15 0.37 115.31 122.41 2udp h LEU 239 Ca 0.21 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.94 2udp h LEU 239 Cb 0.42 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 2udp h LEU 239 CO 0.01 0.05 0.30 0.00 -0.34 0.00 0.00 178.44 178.46 2udp h ALA 240 N 0.95 0.74 -0.70 1.25 0.00 -0.45 -1.80 119.26 119.25 2udp h ALA 240 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2udp h ALA 240 Cb 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2udp h ALA 240 CO -0.00 -0.04 0.42 -0.44 0.00 0.00 0.00 179.25 179.19 2udp h ASP 241 N 0.56 0.66 -0.66 0.00 3.32 -1.06 -0.75 116.42 118.49 2udp h ASP 241 Ca 0.26 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.34 2udp h ASP 241 Cb 0.16 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 2udp h ASP 241 CO -0.17 0.44 0.44 1.23 -1.72 0.00 0.00 179.24 179.46 2udp h GLY 242 N 0.80 0.91 0.84 2.75 0.00 -0.10 -1.34 103.07 106.92 2udp h GLY 242 Ca 0.30 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 2udp h GLY 242 CO -0.14 0.29 0.01 0.45 0.00 0.00 0.00 176.54 177.15 2udp h HIS 243 N 0.83 0.43 -0.52 5.60 3.86 -0.55 -0.62 115.15 124.18 2udp h HIS 243 Ca 0.26 -0.07 0.05 0.00 -1.16 0.00 0.00 60.37 59.45 2udp h HIS 243 Cb 0.01 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 28.32 2udp h HIS 243 CO -0.00 0.56 0.24 0.28 0.86 0.00 0.00 177.93 179.88 2udp h VAL 244 N 0.16 0.92 -0.13 2.45 2.07 -1.08 0.18 116.25 120.82 2udp h VAL 244 Ca 0.06 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2udp h VAL 244 Cb 0.39 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2udp h VAL 244 CO 0.01 0.09 0.06 0.58 0.02 0.00 0.00 177.57 178.32 2udp h VAL 245 N 0.47 1.14 -0.24 2.57 2.07 -1.20 0.03 116.25 121.08 2udp h VAL 245 Ca 0.23 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2udp h VAL 245 Cb 0.18 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2udp h VAL 245 CO -0.19 0.12 0.13 0.00 0.02 0.00 0.00 177.57 177.66 2udp h ALA 246 N 0.91 0.30 -0.18 1.67 0.00 -0.68 0.17 119.26 121.44 2udp h ALA 246 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2udp h ALA 246 Cb 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2udp h ALA 246 CO -0.00 -0.27 -0.02 1.98 0.00 0.00 0.00 179.25 180.94 2udp h MET 247 N 0.27 0.03 -0.28 0.00 -1.53 -0.52 0.24 114.93 113.15 2udp h MET 247 Ca 0.10 -0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.36 2udp h MET 247 Cb 0.01 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.04 2udp h MET 247 CO -0.06 0.02 0.17 0.93 0.14 0.00 0.00 176.91 178.12 2udp h GLU 248 N 0.03 0.38 0.08 0.39 5.08 -0.48 -2.84 114.58 117.22 2udp h GLU 248 Ca 0.08 -0.03 -0.25 0.00 -1.00 0.00 0.00 59.36 58.16 2udp h GLU 248 Cb 0.12 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2udp h GLU 248 CO -0.16 0.29 -1.14 0.87 -1.00 0.00 0.00 179.01 177.87 2udp h LYS 249 N 0.37 0.22 0.00 2.33 1.57 -0.53 -3.33 116.57 117.19 2udp h LYS 249 Ca 0.10 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2udp h LYS 249 Cb 0.00 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2udp h LYS 249 CO -0.02 1.14 -0.66 1.28 -0.57 0.00 0.00 179.45 180.62 2udp n LEU 250 N -3.53 0.61 -4.68 2.94 4.77 0.85 -4.79 117.00 113.17 2udp n LEU 250 Ca -0.06 0.09 -0.53 0.00 -0.03 0.00 0.00 56.01 55.48 2udp n LEU 250 Cb 0.97 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.81 2udp n LEU 250 CO 0.52 0.03 1.27 0.00 -1.33 0.00 0.00 177.39 177.88 2udp n ALA 251 N -1.70 0.09 -1.11 -1.18 0.00 -1.07 -0.88 120.51 114.66 2udp n ALA 251 Ca 0.04 0.39 -0.04 0.00 0.00 0.00 0.00 53.44 53.83 2udp n ALA 251 Cb 0.40 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.55 2udp n ALA 251 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2udp n ASN 252 N 4.94 -4.20 -4.27 0.00 3.02 -1.26 -4.95 115.26 108.54 2udp n ASN 252 Ca 0.23 0.10 -0.43 0.00 -0.03 0.00 0.00 54.58 54.44 2udp n ASN 252 Cb 0.20 -2.04 -0.07 0.00 -0.61 0.00 0.00 39.78 37.26 2udp n ASN 252 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2udp s LYS 253 N -1.68 2.76 0.43 3.52 -0.14 -0.06 -5.00 119.74 119.56 2udp s LYS 253 Ca 0.00 -1.69 -0.25 0.00 -1.36 0.00 0.00 55.97 52.67 2udp s LYS 253 Cb 0.00 -4.11 -0.10 0.00 -1.68 0.00 0.00 37.83 31.95 2udp s LYS 253 CO 0.00 -1.23 1.13 -2.30 -0.76 0.00 0.00 175.35 172.19 2udp n PRO 254 N 5.09 1.59 0.00 -1.68 -0.02 -1.26 -4.38 135.00 134.34 2udp n PRO 254 Ca -0.11 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2udp n PRO 254 Cb 0.41 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2udp n PRO 254 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2udp n GLY 255 N 1.01 2.98 3.35 -1.23 0.00 -0.37 -4.91 105.19 106.01 2udp n GLY 255 Ca 0.08 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 2udp n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2udp s VAL 256 N -2.00 4.78 -0.46 1.61 1.01 -1.26 0.42 120.40 124.50 2udp s VAL 256 Ca 0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 61.98 60.75 2udp s VAL 256 Cb 0.00 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.64 2udp s VAL 256 CO 0.00 -0.47 0.35 -1.00 0.00 0.00 0.00 175.10 173.98 2udp s HIS 257 N 1.56 3.31 -0.23 5.22 0.09 0.58 -4.96 115.29 120.87 2udp s HIS 257 Ca 0.03 -1.37 -0.12 0.00 -0.00 0.00 0.00 55.06 53.60 2udp s HIS 257 Cb -0.23 -3.25 -0.05 0.00 -0.00 0.00 0.00 32.58 29.06 2udp s HIS 257 CO 0.05 -0.89 0.23 0.42 -0.00 0.00 0.00 174.74 174.56 2udp s ILE 258 N 1.50 5.31 -0.05 0.60 1.01 -1.26 -0.59 121.20 127.74 2udp s ILE 258 Ca 0.04 0.34 -0.03 0.00 0.00 0.00 0.00 60.65 61.00 2udp s ILE 258 Cb -0.25 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.68 2udp s ILE 258 CO 0.03 0.32 0.10 -0.31 0.00 0.00 0.00 174.94 175.09 2udp s TYR 259 N 1.11 -0.11 -0.05 3.97 2.02 -0.61 -4.95 117.35 118.74 2udp s TYR 259 Ca 0.11 0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.84 2udp s TYR 259 Cb -0.14 -0.06 -0.04 0.00 -0.40 0.00 0.00 41.96 41.33 2udp s TYR 259 CO 0.05 -0.11 1.25 -0.80 -1.57 0.00 0.00 175.55 174.38 2udp s ASN 260 N 0.69 7.00 -0.37 2.29 0.01 -1.26 -0.87 114.94 122.42 2udp s ASN 260 Ca -0.05 1.87 -0.12 0.00 -0.71 0.00 0.00 52.86 53.85 2udp s ASN 260 Cb -0.07 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 39.05 2udp s ASN 260 CO -0.03 -0.62 0.22 -0.76 -1.51 0.00 0.00 177.10 174.40 2udp s LEU 261 N 2.32 4.73 0.19 0.60 1.43 -0.30 -4.73 118.68 122.92 2udp s LEU 261 Ca 0.58 -0.89 -0.22 0.00 -1.03 0.00 0.00 54.13 52.56 2udp s LEU 261 Cb -0.26 -2.06 0.07 0.00 0.03 0.00 0.00 46.19 43.98 2udp s LEU 261 CO 0.23 -0.37 1.00 -0.83 0.23 0.00 0.00 176.35 176.61 2udp s GLY 262 N 1.60 0.04 0.21 -3.19 0.00 -1.26 -3.82 107.32 100.90 2udp s GLY 262 Ca 0.03 -0.24 0.11 0.00 0.00 0.00 0.00 44.72 44.63 2udp s GLY 262 CO 0.08 1.55 1.39 0.00 0.00 0.00 0.00 173.10 176.12 2udp h ALA 263 N 2.00 0.55 0.00 3.20 0.00 -1.85 -3.42 119.26 119.74 2udp h ALA 263 Ca -0.27 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 53.97 2udp h ALA 263 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2udp h ALA 263 CO 0.34 0.92 0.00 0.41 0.00 0.00 0.00 179.25 180.91 2udp n GLY 264 N 1.18 0.50 3.35 0.00 0.00 -1.24 -4.91 105.19 104.07 2udp n GLY 264 Ca 0.01 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 2udp n GLY 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2udp s VAL 265 N -2.00 0.02 0.23 1.61 0.11 -1.26 -4.85 120.40 114.26 2udp s VAL 265 Ca 0.00 -0.17 -0.07 0.00 -2.93 0.00 0.00 61.98 58.81 2udp s VAL 265 Cb 0.00 -0.71 -0.06 0.00 -1.53 0.00 0.00 36.38 34.08 2udp s VAL 265 CO 0.00 -0.09 0.51 -0.83 -3.33 0.00 0.00 175.10 171.36 2udp s GLY 266 N -0.58 2.10 -0.16 6.54 0.00 -1.26 -4.39 107.32 109.57 2udp s GLY 266 Ca -0.07 -0.45 -0.10 0.00 0.00 0.00 0.00 44.72 44.10 2udp s GLY 266 CO 0.04 -0.34 0.40 -1.31 0.00 0.00 0.00 173.10 171.89 2udp s ASN 267 N -2.69 -0.48 0.83 1.64 -0.87 -0.72 -4.91 114.94 107.73 2udp s ASN 267 Ca 0.45 0.85 -0.12 0.00 -1.57 0.00 0.00 52.86 52.47 2udp s ASN 267 Cb -0.11 0.75 0.09 0.00 -0.02 0.00 0.00 41.25 41.96 2udp s ASN 267 CO 0.25 -0.18 1.13 -0.94 -2.57 0.00 0.00 177.10 174.79 2udp s SER 268 N 1.20 4.28 0.19 -1.22 1.04 -1.26 -2.26 113.70 115.67 2udp s SER 268 Ca -0.08 1.02 -0.12 0.00 0.48 0.00 0.00 55.95 57.25 2udp s SER 268 Cb -0.08 -1.65 0.20 0.00 0.10 0.00 0.00 66.02 64.60 2udp s SER 268 CO -0.10 -2.07 1.74 0.58 0.98 0.00 0.00 173.24 174.37 2udp h VAL 269 N -1.16 0.80 -0.44 5.02 2.07 -1.32 -1.12 116.25 120.10 2udp h VAL 269 Ca -0.48 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 2udp h VAL 269 Cb 1.30 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2udp h VAL 269 CO 0.63 0.06 0.05 -0.07 0.02 0.00 0.00 177.57 178.26 2udp h LEU 270 N 0.36 0.64 -0.44 2.57 3.38 -1.92 -1.18 115.31 118.71 2udp h LEU 270 Ca 0.26 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.15 2udp h LEU 270 Cb 0.29 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2udp h LEU 270 CO -0.27 0.68 0.20 0.44 0.09 0.00 0.00 178.44 179.58 2udp h ASP 271 N 0.65 0.27 -0.45 -0.43 3.32 -1.59 -0.43 116.42 117.76 2udp h ASP 271 Ca 0.14 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 2udp h ASP 271 Cb 0.33 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2udp h ASP 271 CO 0.01 0.20 -0.04 0.58 -1.72 0.00 0.00 179.24 178.26 2udp h VAL 272 N 0.40 1.27 -0.31 -1.35 2.07 -0.78 -1.61 116.25 115.94 2udp h VAL 272 Ca 0.20 -1.11 0.06 0.00 0.82 0.00 0.00 66.70 66.66 2udp h VAL 272 Cb 0.13 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 2udp h VAL 272 CO -0.16 0.38 -0.05 0.58 0.02 0.00 0.00 177.57 178.35 2udp h VAL 273 N 0.66 0.72 -0.90 2.57 2.07 -0.93 -0.48 116.25 119.97 2udp h VAL 273 Ca 0.12 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 2udp h VAL 273 Cb 0.55 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 2udp h VAL 273 CO 0.03 0.01 0.50 0.78 0.02 0.00 0.00 177.57 178.91 2udp h ASN 274 N 0.03 1.11 -0.78 0.57 2.35 -0.90 -1.66 115.58 116.29 2udp h ASN 274 Ca 0.15 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2udp h ASN 274 Cb 0.22 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 2udp h ASN 274 CO -0.29 0.88 0.52 0.00 -1.65 0.00 0.00 177.43 176.89 2udp h ALA 275 N 1.27 1.00 -0.35 -0.83 0.00 -0.37 -2.31 119.26 117.67 2udp h ALA 275 Ca 0.32 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 2udp h ALA 275 Cb 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2udp h ALA 275 CO -0.05 0.40 -0.29 0.35 0.00 0.00 0.00 179.25 179.66 2udp h PHE 276 N 1.06 0.95 -0.89 0.00 3.04 -0.57 -0.67 116.94 119.86 2udp h PHE 276 Ca 0.29 -0.27 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 2udp h PHE 276 Cb -0.11 -0.21 -0.04 0.00 2.56 0.00 0.00 35.95 38.15 2udp h PHE 276 CO -0.02 1.05 0.50 0.66 -2.02 0.00 0.00 178.31 178.48 2udp h SER 277 N 0.59 1.09 0.36 0.41 4.64 -1.17 1.81 113.55 121.29 2udp h SER 277 Ca 0.06 -0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.14 2udp h SER 277 Cb 0.86 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2udp h SER 277 CO 0.07 0.87 -0.65 0.07 -0.87 0.00 0.00 176.83 176.32 2udp h LYS 278 N 1.24 0.27 -0.03 4.77 5.09 -1.37 0.55 116.57 127.09 2udp h LYS 278 Ca 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 60.65 60.85 2udp h LYS 278 Cb 0.00 0.04 -0.00 0.00 0.10 0.00 0.00 32.23 32.36 2udp h LYS 278 CO -0.05 0.83 -0.01 0.00 -2.09 0.00 0.00 179.45 178.13 2udp h ALA 279 N 1.12 0.05 0.00 0.07 0.00 0.50 -3.25 119.26 117.75 2udp h ALA 279 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2udp h ALA 279 Cb 1.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2udp h ALA 279 CO 0.10 -0.26 -0.22 0.00 0.00 0.00 0.00 179.25 178.87 2udp n GLY 281 N 1.03 0.86 3.10 0.00 0.00 0.19 -5.03 105.19 105.34 2udp n GLY 281 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 2udp n GLY 281 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2udp s LYS 282 N -0.66 0.77 0.16 1.61 3.01 -1.15 -5.00 119.74 118.48 2udp s LYS 282 Ca 0.00 -0.67 -0.31 0.00 -1.01 0.00 0.00 55.97 53.97 2udp s LYS 282 Cb 0.00 -0.72 -0.10 0.00 -1.01 0.00 0.00 37.83 36.00 2udp s LYS 282 CO 0.00 0.17 1.64 -2.14 0.51 0.00 0.00 175.35 175.53 2udp s PRO 283 N -1.09 4.19 -0.23 -1.68 0.02 -1.26 -4.39 135.00 130.56 2udp s PRO 283 Ca -0.01 2.43 -0.29 0.00 0.02 0.00 0.00 61.00 63.15 2udp s PRO 283 Cb -0.07 -3.24 0.01 0.00 0.02 0.00 0.00 34.50 31.22 2udp s PRO 283 CO 0.01 -0.68 1.04 0.08 -0.33 0.00 0.00 177.00 177.12 2udp s VAL 284 N 1.51 4.68 0.07 3.83 1.01 -1.26 -4.99 120.40 125.23 2udp s VAL 284 Ca 0.73 2.03 -0.31 0.00 0.00 0.00 0.00 61.98 64.43 2udp s VAL 284 Cb -0.45 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.54 2udp s VAL 284 CO 0.32 -0.18 1.65 0.21 0.00 0.00 0.00 175.10 177.11 2udp s ASN 285 N 1.20 6.60 0.22 3.32 3.84 -1.26 -4.99 114.94 123.87 2udp s ASN 285 Ca 0.44 2.48 -0.08 0.00 0.21 0.00 0.00 52.86 55.91 2udp s ASN 285 Cb -0.15 -2.56 -0.02 0.00 -0.55 0.00 0.00 41.25 37.97 2udp s ASN 285 CO 0.06 -0.89 0.34 -0.72 -2.79 0.00 0.00 177.10 173.10 2udp s TYR 286 N 2.68 0.62 0.24 0.43 1.13 -1.26 -1.69 117.35 119.50 2udp s TYR 286 Ca 0.74 -0.94 -0.11 0.00 -1.41 0.00 0.00 57.07 55.36 2udp s TYR 286 Cb -0.40 -0.09 -0.01 0.00 -1.10 0.00 0.00 41.96 40.37 2udp s TYR 286 CO 0.32 -0.84 0.42 -3.38 -2.51 0.00 0.00 175.55 169.57 2udp s HIS 287 N -4.05 0.51 0.04 -3.49 -3.43 0.75 -4.87 115.29 100.75 2udp s HIS 287 Ca 0.27 -0.85 -0.09 0.00 -0.80 0.00 0.00 55.06 53.59 2udp s HIS 287 Cb 0.02 0.06 -0.05 0.00 -1.43 0.00 0.00 32.58 31.18 2udp s HIS 287 CO 0.08 -0.94 0.34 -0.06 -2.00 0.00 0.00 174.74 172.17 2udp s PHE 288 N -4.02 3.60 0.04 0.38 0.40 -1.26 -0.66 117.98 116.46 2udp s PHE 288 Ca 0.25 0.73 -0.02 0.00 -0.60 0.00 0.00 56.93 57.30 2udp s PHE 288 Cb 0.01 -2.11 -0.03 0.00 0.51 0.00 0.00 43.02 41.40 2udp s PHE 288 CO 0.10 0.58 -0.01 0.00 0.70 0.00 0.00 175.22 176.59 2udp s ALA 289 N -1.31 0.31 1.13 5.36 0.00 -0.19 -4.83 121.76 122.23 2udp s ALA 289 Ca 0.29 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 51.16 2udp s ALA 289 Cb -0.14 0.24 0.18 0.00 0.00 0.00 0.00 23.12 23.40 2udp s ALA 289 CO 0.16 -0.31 0.46 -0.35 0.00 0.00 0.00 175.76 175.73 2udp n PRO 290 N 0.60 -1.86 -1.79 0.00 -0.05 -1.26 0.66 135.00 131.30 2udp n PRO 290 Ca -0.17 -0.52 -0.39 0.00 -0.05 0.00 0.00 63.50 62.36 2udp n PRO 290 Cb 0.59 -1.91 0.02 0.00 -0.05 0.00 0.00 33.50 32.15 2udp n PRO 290 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 2udp s ARG 291 N -3.87 3.54 -0.15 0.54 0.52 -1.26 -2.85 118.95 115.41 2udp s ARG 291 Ca 0.61 2.37 -0.21 0.00 -0.52 0.00 0.00 55.73 57.99 2udp s ARG 291 Cb -0.18 -2.55 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 2udp s ARG 291 CO 0.66 -0.92 0.62 0.50 0.02 0.00 0.00 175.30 176.18 2udp s ARG 292 N -2.57 4.29 0.18 3.54 3.52 -1.26 -4.88 118.95 121.77 2udp s ARG 292 Ca 0.64 0.65 -0.33 0.00 -0.13 0.00 0.00 55.73 56.56 2udp s ARG 292 Cb -0.43 -3.52 -0.15 0.00 -1.56 0.00 0.00 34.95 29.29 2udp s ARG 292 CO 0.54 -0.09 1.24 0.39 -0.81 0.00 0.00 175.30 176.56 2udp n GLU 293 N 4.49 1.37 0.00 5.12 1.02 -1.26 -1.45 120.64 129.93 2udp n GLU 293 Ca -0.02 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 2udp n GLU 293 Cb 0.50 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 2udp n GLU 293 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2udp n GLY 294 N 2.11 2.88 3.73 0.62 0.00 -1.26 -5.03 105.19 108.23 2udp n GLY 294 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2udp n GLY 294 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2udp s ASP 295 N -1.39 6.47 0.20 1.61 1.01 -0.53 -5.00 116.67 119.05 2udp s ASP 295 Ca 0.00 2.79 -0.14 0.00 0.71 0.00 0.00 52.55 55.91 2udp s ASP 295 Cb 0.00 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.25 2udp s ASP 295 CO 0.00 -0.88 0.60 -0.76 0.21 0.00 0.00 175.17 174.33 2udp s LEU 296 N 0.61 4.25 0.14 1.23 1.43 -1.26 -5.01 118.68 120.07 2udp s LEU 296 Ca 0.69 1.11 -0.14 0.00 -1.03 0.00 0.00 54.13 54.75 2udp s LEU 296 Cb -0.47 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.24 2udp s LEU 296 CO 0.37 0.00 1.66 1.55 0.23 0.00 0.00 176.35 180.16 2udp h PRO 297 N 3.09 0.73 -1.74 1.29 0.13 -1.94 -3.44 132.00 130.11 2udp h PRO 297 Ca -0.48 -0.16 0.04 0.00 -0.87 0.00 0.00 66.00 64.53 2udp h PRO 297 Cb 1.18 -0.10 -0.24 0.00 0.13 0.00 0.00 31.00 31.97 2udp h PRO 297 CO 0.67 0.70 0.31 0.00 -0.23 0.00 0.00 178.00 179.45 2udp s ALA 298 N -5.37 -1.96 0.02 -0.56 0.00 -1.26 -1.75 121.76 110.88 2udp s ALA 298 Ca -0.13 2.04 -0.28 0.00 0.00 0.00 0.00 51.96 53.59 2udp s ALA 298 Cb 0.11 -1.42 0.08 0.00 0.00 0.00 0.00 23.12 21.89 2udp s ALA 298 CO 0.78 -0.30 0.69 1.52 0.00 0.00 0.00 175.76 178.46 2udp s TYR 299 N 0.63 -0.57 0.19 0.00 1.13 -0.78 -4.99 117.35 112.96 2udp s TYR 299 Ca -0.01 0.75 -0.21 0.00 -1.41 0.00 0.00 57.07 56.18 2udp s TYR 299 Cb -0.05 0.47 0.05 0.00 -1.10 0.00 0.00 41.96 41.34 2udp s TYR 299 CO -0.08 -0.67 0.61 1.67 -2.51 0.00 0.00 175.55 174.58 2udp s TRP 300 N -2.21 -0.37 0.27 -3.49 -2.14 -1.26 -2.80 118.94 106.95 2udp s TRP 300 Ca -0.05 0.07 -0.28 0.00 2.66 0.00 0.00 56.10 58.50 2udp s TRP 300 Cb -0.00 0.56 -0.09 0.00 -3.10 0.00 0.00 33.47 30.83 2udp s TRP 300 CO -0.00 -0.95 0.93 0.00 -2.66 0.00 0.00 176.95 174.26 2udp s ALA 301 N -3.82 3.29 -0.51 2.67 0.00 -1.26 -0.09 121.76 122.04 2udp s ALA 301 Ca 0.05 0.55 -0.18 0.00 0.00 0.00 0.00 51.96 52.38 2udp s ALA 301 Cb -0.02 -3.17 0.08 0.00 0.00 0.00 0.00 23.12 20.00 2udp s ALA 301 CO -0.06 0.20 0.55 0.34 0.00 0.00 0.00 175.76 176.79 2udp s ASP 302 N -1.39 6.19 -0.23 0.00 -1.08 -0.13 -3.65 116.67 116.38 2udp s ASP 302 Ca 0.45 -1.22 0.14 0.00 -0.52 0.00 0.00 52.55 51.40 2udp s ASP 302 Cb -0.22 -2.25 0.76 0.00 -1.46 0.00 0.00 42.92 39.75 2udp s ASP 302 CO 0.28 -0.85 1.69 0.00 0.52 0.00 0.00 175.17 176.81 2udp n ALA 303 N 5.79 3.73 0.05 3.66 0.00 -1.26 -4.62 120.51 127.87 2udp n ALA 303 Ca -0.10 -2.04 -0.02 0.00 0.00 0.00 0.00 53.44 51.28 2udp n ALA 303 Cb 0.44 -1.04 0.23 0.00 0.00 0.00 0.00 19.45 19.08 2udp n ALA 303 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2udp h SER 304 N 3.47 0.37 -0.18 0.00 4.64 -1.92 -2.78 113.55 117.16 2udp h SER 304 Ca 0.01 -0.13 0.04 0.00 -0.47 0.00 0.00 61.79 61.24 2udp h SER 304 Cb 1.89 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.84 2udp h SER 304 CO 0.45 0.66 -0.07 0.50 -0.87 0.00 0.00 176.83 177.50 2udp h LYS 305 N 0.32 -0.03 -0.10 4.77 3.64 -1.94 1.21 116.57 124.44 2udp h LYS 305 Ca 0.04 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 2udp h LYS 305 Cb 0.69 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2udp h LYS 305 CO 0.05 -0.02 -0.32 0.00 -2.27 0.00 0.00 179.45 176.89 2udp h ALA 306 N 1.14 1.28 0.02 5.00 0.00 -1.85 1.24 119.26 126.09 2udp h ALA 306 Ca 0.09 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2udp h ALA 306 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2udp h ALA 306 CO -0.20 0.50 -0.01 0.22 0.00 0.00 0.00 179.25 179.75 2udp h ASP 307 N 0.16 -0.03 0.49 0.00 1.82 -0.82 -0.81 116.42 117.24 2udp h ASP 307 Ca 0.02 -0.45 -0.02 0.00 -0.39 0.00 0.00 57.03 56.20 2udp h ASP 307 Cb 0.66 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.67 2udp h ASP 307 CO 0.05 0.44 -0.29 0.03 -1.61 0.00 0.00 179.24 177.86 2udp h ARG 308 N -0.50 -0.71 0.19 0.28 3.08 0.17 -0.71 114.38 116.18 2udp h ARG 308 Ca -0.00 0.05 -0.34 0.00 0.07 0.00 0.00 59.98 59.76 2udp h ARG 308 Cb 0.47 0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.70 2udp h ARG 308 CO 0.01 -0.47 -1.64 0.93 -1.07 0.00 0.00 179.97 177.72 2udp h GLU 309 N -0.74 0.40 -0.02 0.04 5.08 0.15 -3.36 114.58 116.13 2udp h GLU 309 Ca -0.06 -0.69 0.00 0.00 -1.00 0.00 0.00 59.36 57.62 2udp h GLU 309 Cb 0.60 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2udp h GLU 309 CO 0.07 1.33 -0.16 1.28 -1.00 0.00 0.00 179.01 180.53 2udp n LEU 310 N -3.67 2.41 -3.58 1.33 4.77 -0.40 -4.97 117.00 112.89 2udp n LEU 310 Ca -0.23 -0.91 -0.21 0.00 -0.03 0.00 0.00 56.01 54.63 2udp n LEU 310 Cb 1.05 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.21 2udp n LEU 310 CO 0.52 0.42 0.10 -3.20 -1.33 0.00 0.00 177.39 173.90 2udp n ASN 311 N 0.71 -3.12 -4.07 -1.43 5.15 -0.27 -4.96 115.26 107.26 2udp n ASN 311 Ca 0.11 -0.66 -0.22 0.00 -0.60 0.00 0.00 54.58 53.21 2udp n ASN 311 Cb 0.48 -4.75 -0.15 0.00 -0.53 0.00 0.00 39.78 34.83 2udp n ASN 311 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 2udp s TRP 312 N -3.41 1.16 0.19 1.20 -0.00 -0.74 -4.97 118.94 112.36 2udp s TRP 312 Ca 0.20 -0.25 -0.15 0.00 -0.00 0.00 0.00 56.10 55.91 2udp s TRP 312 Cb -0.09 -0.76 0.02 0.00 -0.00 0.00 0.00 33.47 32.63 2udp s TRP 312 CO 0.76 -0.05 0.44 -0.98 -0.00 0.00 0.00 176.95 177.12 2udp s ARG 313 N -0.16 1.31 0.33 5.86 3.03 -1.26 -2.72 118.95 125.33 2udp s ARG 313 Ca 0.02 -0.97 -0.28 0.00 2.03 0.00 0.00 55.73 56.53 2udp s ARG 313 Cb -0.06 0.47 -0.10 0.00 -1.03 0.00 0.00 34.95 34.23 2udp s ARG 313 CO -0.00 -0.53 1.23 0.14 -1.13 0.00 0.00 175.30 175.01 2udp s VAL 314 N -3.91 2.99 -0.01 4.99 -7.23 -1.26 -4.94 120.40 111.03 2udp s VAL 314 Ca 0.12 0.97 0.05 0.00 -1.81 0.00 0.00 61.98 61.31 2udp s VAL 314 Cb 0.00 -3.61 -0.07 0.00 0.56 0.00 0.00 36.38 33.26 2udp s VAL 314 CO -0.02 0.22 0.10 0.35 -0.31 0.00 0.00 175.10 175.44 2udp n THR 315 N 0.82 0.02 -2.51 5.32 -2.24 -1.26 -5.04 114.28 109.39 2udp n THR 315 Ca 0.00 -0.11 -0.32 0.00 -2.27 0.00 0.00 64.05 61.35 2udp n THR 315 Cb 0.43 0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 2udp n THR 315 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2udp s ARG 316 N -2.31 3.93 0.37 -0.78 3.00 -1.26 -5.09 118.95 116.80 2udp s ARG 316 Ca -0.02 0.87 0.07 0.00 0.00 0.00 0.00 55.73 56.65 2udp s ARG 316 Cb 0.03 -2.19 -0.02 0.00 0.00 0.00 0.00 34.95 32.77 2udp s ARG 316 CO 0.19 -0.21 0.38 0.95 0.00 0.00 0.00 175.30 176.61 2udp s THR 317 N -2.55 3.33 0.21 0.02 -4.23 -1.26 -4.90 115.64 106.25 2udp s THR 317 Ca 0.58 -1.25 -0.09 0.00 -1.18 0.00 0.00 61.69 59.74 2udp s THR 317 Cb -0.10 -3.15 0.15 0.00 1.34 0.00 0.00 72.50 70.74 2udp s THR 317 CO 0.30 -0.10 1.81 0.25 -0.54 0.00 0.00 174.62 176.34 2udp h LEU 318 N 1.06 0.56 -1.00 4.79 5.85 -1.98 0.76 115.31 125.35 2udp h LEU 318 Ca -0.43 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 2udp h LEU 318 Cb 1.26 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 2udp h LEU 318 CO 0.56 0.36 0.20 0.44 -0.34 0.00 0.00 178.44 179.66 2udp h ASP 319 N 0.70 0.85 -0.75 1.25 3.32 -1.96 -1.02 116.42 118.81 2udp h ASP 319 Ca 0.31 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 2udp h ASP 319 Cb 0.19 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2udp h ASP 319 CO -0.18 0.80 0.34 -0.08 -1.72 0.00 0.00 179.24 178.39 2udp h GLU 320 N 0.89 1.10 0.12 3.56 4.81 -1.52 0.51 114.58 124.05 2udp h GLU 320 Ca 0.20 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2udp h GLU 320 Cb 0.25 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2udp h GLU 320 CO -0.01 0.87 -0.06 0.52 -0.73 0.00 0.00 179.01 179.60 2udp h MET 321 N 1.07 -0.16 -0.40 1.92 2.86 0.30 0.67 114.93 121.19 2udp h MET 321 Ca 0.26 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.87 2udp h MET 321 Cb 0.15 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2udp h MET 321 CO -0.03 -0.08 0.12 0.00 1.06 0.00 0.00 176.91 177.98 2udp h ALA 322 N 0.69 0.53 -0.59 6.32 0.00 -1.13 -1.35 119.26 123.73 2udp h ALA 322 Ca -0.02 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2udp h ALA 322 Cb 0.15 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2udp h ALA 322 CO 0.03 0.18 0.37 1.96 0.00 0.00 0.00 179.25 181.79 2udp h GLN 323 N 0.51 0.71 -0.31 0.00 4.20 0.19 0.98 115.11 121.39 2udp h GLN 323 Ca 0.13 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 2udp h GLN 323 Cb 0.27 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 2udp h GLN 323 CO -0.00 0.47 -0.32 -0.44 -0.67 0.00 0.00 178.83 177.87 2udp h ASP 324 N 0.73 0.82 -0.32 1.46 3.32 -0.72 -1.42 116.42 120.29 2udp h ASP 324 Ca 0.24 -0.47 0.01 0.00 0.02 0.00 0.00 57.03 56.82 2udp h ASP 324 Cb 0.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2udp h ASP 324 CO -0.09 1.12 0.21 0.74 -1.72 0.00 0.00 179.24 179.50 2udp h THR 325 N 0.53 1.07 -0.46 0.35 2.02 -1.03 -1.67 112.91 113.73 2udp h THR 325 Ca 0.05 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.14 2udp h THR 325 Cb 0.89 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 2udp h THR 325 CO 0.08 0.08 0.17 -0.25 0.37 0.00 0.00 175.52 175.96 2udp h TRP 326 N 0.43 0.30 -0.81 3.16 2.91 -0.75 0.24 115.95 121.42 2udp h TRP 326 Ca 0.12 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.18 2udp h TRP 326 Cb -0.04 -0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 28.50 2udp h TRP 326 CO -0.06 0.11 0.54 1.25 -1.03 0.00 0.00 178.44 179.25 2udp h HIS 327 N 0.34 1.00 -0.05 2.65 2.76 -0.89 0.75 115.15 121.72 2udp h HIS 327 Ca 0.22 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.29 2udp h HIS 327 Cb 0.21 -0.34 0.01 0.00 1.55 0.00 0.00 27.41 28.84 2udp h HIS 327 CO -0.15 0.61 -0.42 2.35 -1.30 0.00 0.00 177.93 179.01 2udp h TRP 328 N 1.06 0.53 -0.64 5.26 2.91 -0.95 -2.41 115.95 121.71 2udp h TRP 328 Ca 0.31 -0.25 -0.00 0.00 1.13 0.00 0.00 58.89 60.07 2udp h TRP 328 Cb -0.07 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 28.48 2udp h TRP 328 CO -0.00 1.02 0.39 0.37 -1.03 0.00 0.00 178.44 179.19 2udp h GLN 329 N -0.12 0.87 -0.45 2.65 5.75 -0.05 0.38 115.11 124.14 2udp h GLN 329 Ca -0.04 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 2udp h GLN 329 Cb 1.10 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 2udp h GLN 329 CO 0.09 0.62 0.11 0.66 -2.65 0.00 0.00 178.83 177.65 2udp h SER 330 N 0.87 0.69 -0.36 -0.69 4.64 0.42 -2.12 113.55 117.00 2udp h SER 330 Ca 0.23 -0.23 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 2udp h SER 330 Cb -0.03 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 2udp h SER 330 CO -0.04 0.74 -0.43 0.03 -0.87 0.00 0.00 176.83 176.26 2udp h ARG 331 N 0.60 0.92 -2.37 4.77 3.08 -1.18 -3.38 114.38 116.82 2udp h ARG 331 Ca 0.14 -0.51 -0.59 0.00 0.07 0.00 0.00 59.98 59.09 2udp h ARG 331 Cb 0.33 0.03 -0.40 0.00 0.08 0.00 0.00 29.97 30.01 2udp h ARG 331 CO 0.00 1.16 -0.86 0.72 -1.07 0.00 0.00 179.97 179.92 2udp n HIS 332 N -4.04 0.93 0.19 3.04 8.25 0.13 -4.96 115.22 118.76 2udp n HIS 332 Ca -0.03 -3.74 0.05 0.00 -0.26 0.00 0.00 57.72 53.75 2udp n HIS 332 Cb 0.57 -0.25 0.52 0.00 1.12 0.00 0.00 29.99 31.95 2udp n HIS 332 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2udp h PRO 333 N 4.83 0.10 -0.54 -0.41 0.13 -1.57 -1.14 132.00 133.41 2udp h PRO 333 Ca 0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2udp h PRO 333 Cb 0.82 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2udp h PRO 333 CO 0.55 0.18 0.00 1.04 -0.23 0.00 0.00 178.00 179.54 2udp n GLN 334 N -4.40 2.36 0.00 0.86 1.13 -1.26 -5.05 117.38 111.01 2udp n GLN 334 Ca -0.02 -2.10 0.00 0.00 -1.94 0.00 0.00 57.00 52.95 2udp n GLN 334 Cb 0.18 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.06 2udp n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2udp n GLY 335 N 1.44 0.12 3.77 1.08 0.00 -0.43 -4.82 105.19 106.34 2udp n GLY 335 Ca 0.20 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 2udp n GLY 335 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2udp s TYR 336 N 0.00 3.31 0.65 1.61 2.02 -1.26 -4.89 117.35 118.78 2udp s TYR 336 Ca 0.00 1.63 -0.15 0.00 -0.37 0.00 0.00 57.07 58.18 2udp s TYR 336 Cb 0.00 -3.29 -0.01 0.00 -0.40 0.00 0.00 41.96 38.26 2udp s TYR 336 CO 0.00 -0.86 1.10 -1.25 -1.57 0.00 0.00 175.55 172.97 2udp s PRO 337 N -2.02 2.91 0.00 -1.71 0.04 -1.26 -5.06 135.00 127.89 2udp s PRO 337 Ca 0.52 1.35 0.31 0.00 0.04 0.00 0.00 61.00 63.22 2udp s PRO 337 Cb -0.29 -1.97 1.68 0.00 0.04 0.00 0.00 34.50 33.97 2udp s PRO 337 CO 0.37 -1.16 2.10 -0.25 0.04 0.00 0.00 177.00 178.10