#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mle s GLN -2 N 0.00 2.72 0.96 -4.13 2.00 -1.26 -4.66 119.66 115.29 3mle s GLN -2 Ca 0.00 -0.73 -0.16 0.00 -2.00 0.00 0.00 55.36 52.48 3mle s GLN -2 Cb 0.00 -2.38 0.19 0.00 0.80 0.00 0.00 33.01 31.61 3mle s GLN -2 CO 0.00 -0.21 1.27 0.20 -0.50 0.00 0.00 175.29 176.05 3mle s GLY -1 N 1.34 1.72 0.16 2.59 0.00 -0.61 -5.05 107.32 107.48 3mle s GLY -1 Ca 0.04 -1.06 0.05 0.00 0.00 0.00 0.00 44.72 43.75 3mle s GLY -1 CO -0.12 -0.33 0.15 0.30 0.00 0.00 0.00 173.10 173.10 3mle s HIS 0 N -3.73 3.19 -0.10 1.90 0.09 -0.58 -4.95 115.29 111.11 3mle s HIS 0 Ca 0.71 0.01 0.02 0.00 -0.00 0.00 0.00 55.06 55.80 3mle s HIS 0 Cb -0.06 -1.54 0.02 0.00 -0.00 0.00 0.00 32.58 31.00 3mle s HIS 0 CO 0.53 0.52 -0.14 1.41 -0.00 0.00 0.00 174.74 177.05 3mle s MET 1 N -3.06 2.11 -0.24 1.40 0.00 -1.26 -0.29 119.30 117.96 3mle s MET 1 Ca 0.31 -0.52 -0.02 0.00 0.00 0.00 0.00 55.69 55.46 3mle s MET 1 Cb -0.10 -1.81 0.02 0.00 0.00 0.00 0.00 34.83 32.93 3mle s MET 1 CO 0.24 -0.07 -0.06 -1.17 0.00 0.00 0.00 175.02 173.96 3mle s LEU 2 N 1.01 3.14 -0.03 4.11 2.96 -0.34 -1.69 118.68 127.84 3mle s LEU 2 Ca -0.07 -0.81 -0.21 0.00 -0.22 0.00 0.00 54.13 52.83 3mle s LEU 2 Cb -0.15 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 3mle s LEU 2 CO -0.02 -0.11 0.59 0.12 -1.32 0.00 0.00 176.35 175.61 3mle s PHE 3 N 1.34 3.65 -0.19 5.38 5.36 0.20 -0.23 117.98 133.49 3mle s PHE 3 Ca 0.01 1.17 -0.01 0.00 -0.96 0.00 0.00 56.93 57.14 3mle s PHE 3 Cb -0.16 -2.62 0.00 0.00 -0.34 0.00 0.00 43.02 39.90 3mle s PHE 3 CO -0.04 0.30 -0.12 0.42 -1.46 0.00 0.00 175.22 174.31 3mle s ILE 4 N 0.02 2.74 0.14 3.12 1.01 0.87 0.10 121.20 129.19 3mle s ILE 4 Ca 0.31 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.26 3mle s ILE 4 Cb -0.18 -2.20 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 3mle s ILE 4 CO 0.16 0.49 0.04 -0.24 0.00 0.00 0.00 174.94 175.39 3mle n SER 5 N 4.57 1.16 -3.98 3.58 2.88 -0.39 -1.29 113.62 120.15 3mle n SER 5 Ca -0.19 -1.72 -0.09 0.00 -1.33 0.00 0.00 58.87 55.54 3mle n SER 5 Cb 0.51 0.32 -0.05 0.00 -0.75 0.00 0.00 64.21 64.24 3mle n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3mle s ALA 6 N -2.36 -0.29 0.23 -1.46 0.00 -1.25 0.24 121.76 116.88 3mle s ALA 6 Ca 0.06 -0.83 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 3mle s ALA 6 Cb 0.00 1.04 0.22 0.00 0.00 0.00 0.00 23.12 24.38 3mle s ALA 6 CO 0.04 -0.85 1.91 1.79 0.00 0.00 0.00 175.76 178.65 3mle h THR 7 N 2.26 1.24 -2.48 0.00 1.35 -1.16 -3.37 112.91 110.75 3mle h THR 7 Ca -0.26 -0.44 -0.02 0.00 -0.55 0.00 0.00 66.41 65.13 3mle h THR 7 Cb 1.25 -0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 3mle h THR 7 CO 0.36 0.23 0.11 -3.20 -0.25 0.00 0.00 175.52 172.76 3mle n ASN 8 N -4.44 -0.98 -4.73 5.36 2.85 -1.26 -4.76 115.26 107.30 3mle n ASN 8 Ca 0.10 -1.71 -0.34 0.00 -0.11 0.00 0.00 54.58 52.52 3mle n ASN 8 Cb 0.02 1.64 0.09 0.00 1.24 0.00 0.00 39.78 42.77 3mle n ASN 8 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 3mle s THR 9 N -2.60 2.45 -1.48 -0.44 -1.32 -1.26 -3.64 115.64 107.35 3mle s THR 9 Ca 0.07 0.21 -0.05 0.00 -1.21 0.00 0.00 61.69 60.72 3mle s THR 9 Cb -0.02 -2.72 0.01 0.00 -1.51 0.00 0.00 72.50 68.25 3mle s THR 9 CO 0.06 -0.13 0.63 -3.20 -2.21 0.00 0.00 174.62 169.76 3mle n ASN 10 N -2.83 -5.98 -0.05 8.08 5.15 -1.26 -4.90 115.26 113.47 3mle n ASN 10 Ca 0.13 -0.29 0.02 0.00 -0.60 0.00 0.00 54.58 53.83 3mle n ASN 10 Cb 0.51 -4.78 -0.16 0.00 -0.53 0.00 0.00 39.78 34.81 3mle n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mle n ALA 11 N -3.59 2.22 0.00 5.20 0.00 -1.24 -5.00 120.51 118.10 3mle n ALA 11 Ca -0.10 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.46 3mle n ALA 11 Cb 0.61 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.57 3mle n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mle n GLY 12 N 1.49 0.79 0.44 0.00 0.00 -1.26 -4.32 105.19 102.33 3mle n GLY 12 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 3mle n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mle h LYS 13 N 0.00 -0.37 -0.15 1.61 1.57 -1.92 -0.32 116.57 117.00 3mle h LYS 13 Ca 0.00 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3mle h LYS 13 Cb 0.00 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3mle h LYS 13 CO 0.00 -0.24 0.09 1.15 -0.57 0.00 0.00 179.45 179.88 3mle h THR 14 N -0.38 1.07 -0.18 -0.16 2.02 -1.97 0.21 112.91 113.52 3mle h THR 14 Ca 0.09 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.12 3mle h THR 14 Cb 0.59 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3mle h THR 14 CO -0.60 0.06 0.05 0.74 0.37 0.00 0.00 175.52 176.14 3mle h THR 15 N 0.17 0.94 -0.42 3.16 2.02 -1.92 -1.65 112.91 115.20 3mle h THR 15 Ca 0.05 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 3mle h THR 15 Cb 0.03 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3mle h THR 15 CO -0.01 0.02 -0.01 0.00 0.37 0.00 0.00 175.52 175.89 3mle h ALA 17 N 0.89 0.28 -0.13 0.00 0.00 -0.36 0.47 119.26 120.42 3mle h ALA 17 Ca 0.12 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3mle h ALA 17 Cb 0.50 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3mle h ALA 17 CO 0.02 -0.45 0.06 0.00 0.00 0.00 0.00 179.25 178.88 3mle h ARG 18 N -0.01 0.19 -0.86 0.00 3.08 -0.91 -0.66 114.38 115.20 3mle h ARG 18 Ca 0.21 -0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.36 3mle h ARG 18 Cb 0.33 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.26 3mle h ARG 18 CO -0.46 0.26 0.48 -0.07 -1.07 0.00 0.00 179.97 179.11 3mle h LEU 19 N 0.07 0.63 -0.10 3.04 3.38 -0.36 0.14 115.31 122.11 3mle h LEU 19 Ca 0.04 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3mle h LEU 19 Cb 0.14 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3mle h LEU 19 CO -0.00 0.31 -0.10 0.25 0.09 0.00 0.00 178.44 178.99 3mle h LEU 20 N 0.73 0.25 -0.50 1.67 5.85 -0.62 -1.91 115.31 120.77 3mle h LEU 20 Ca 0.45 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3mle h LEU 20 Cb 0.55 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3mle h LEU 20 CO -0.31 0.69 0.28 0.00 -0.34 0.00 0.00 178.44 178.75 3mle h ALA 21 N 0.58 0.65 -0.35 1.25 0.00 -0.70 0.13 119.26 120.82 3mle h ALA 21 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3mle h ALA 21 Cb 0.61 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3mle h ALA 21 CO 0.02 -0.04 -0.08 0.37 0.00 0.00 0.00 179.25 179.53 3mle h GLN 22 N 0.55 0.01 -0.04 0.00 4.15 -0.69 1.00 115.11 120.09 3mle h GLN 22 Ca 0.21 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.63 3mle h GLN 22 Cb 0.07 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 3mle h GLN 22 CO -0.12 0.01 0.01 -0.92 -1.93 0.00 0.00 178.83 175.88 3mle h TYR 23 N 0.01 0.07 0.07 3.99 3.20 -0.64 -1.47 116.97 122.20 3mle h TYR 23 Ca 0.17 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.05 3mle h TYR 23 Cb 0.25 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 3mle h TYR 23 CO -0.31 0.27 -0.28 0.00 -1.64 0.00 0.00 178.16 176.19 3mle h ASN 25 N -0.47 0.56 -0.09 0.00 2.35 -0.69 0.27 115.58 117.52 3mle h ASN 25 Ca 0.04 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 3mle h ASN 25 Cb 0.52 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3mle h ASN 25 CO -0.20 0.39 -0.18 0.00 -1.65 0.00 0.00 177.43 175.79 3mle h ALA 26 N 1.68 1.19 -0.11 -0.83 0.00 -0.90 -2.37 119.26 117.92 3mle h ALA 26 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3mle h ALA 26 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3mle h ALA 26 CO -0.06 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.71 3mle n GLY 28 N 0.63 0.47 3.44 0.00 0.00 -0.89 -5.00 105.19 103.85 3mle n GLY 28 Ca 0.04 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 3mle n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mle s VAL 29 N -1.94 4.73 -0.39 1.61 1.01 -0.39 -4.99 120.40 120.05 3mle s VAL 29 Ca 0.00 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.23 3mle s VAL 29 Cb 0.00 -4.42 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 3mle s VAL 29 CO 0.00 -1.00 1.92 -1.59 0.00 0.00 0.00 175.10 174.44 3mle s LYS 30 N 3.00 3.05 -0.14 2.72 0.00 -1.26 -2.94 119.74 124.17 3mle s LYS 30 Ca 0.17 1.34 0.01 0.00 0.00 0.00 0.00 55.97 57.49 3mle s LYS 30 Cb -0.19 -4.29 0.02 0.00 0.00 0.00 0.00 37.83 33.37 3mle s LYS 30 CO 0.11 -2.19 -0.14 0.99 0.00 0.00 0.00 175.35 174.12 3mle s THR 31 N 8.00 1.52 0.06 3.79 2.01 -1.26 -1.12 115.64 128.65 3mle s THR 31 Ca 0.82 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 62.21 3mle s THR 31 Cb -0.21 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 3mle s THR 31 CO 0.31 0.45 0.18 -0.51 -0.69 0.00 0.00 174.62 174.35 3mle s ILE 32 N 1.41 5.17 -0.18 1.82 2.07 -0.83 -4.92 121.20 125.75 3mle s ILE 32 Ca 0.03 -0.48 -0.01 0.00 -1.41 0.00 0.00 60.65 58.78 3mle s ILE 32 Cb -0.13 -3.52 0.00 0.00 0.13 0.00 0.00 42.46 38.94 3mle s ILE 32 CO -0.09 0.14 -0.13 -0.76 -1.91 0.00 0.00 174.94 172.19 3mle s LEU 33 N -2.47 2.53 -0.04 8.50 1.43 -1.26 -1.43 118.68 125.94 3mle s LEU 33 Ca 0.33 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.01 3mle s LEU 33 Cb -0.13 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 3mle s LEU 33 CO 0.26 0.04 -0.22 -0.76 0.23 0.00 0.00 176.35 175.90 3mle s LEU 34 N 1.11 2.02 -0.65 1.79 1.43 0.61 -4.80 118.68 120.20 3mle s LEU 34 Ca 0.00 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.72 3mle s LEU 34 Cb -0.14 -1.20 0.18 0.00 0.03 0.00 0.00 46.19 45.06 3mle s LEU 34 CO -0.04 0.24 0.50 1.17 0.23 0.00 0.00 176.35 178.44 3mle n LYS 35 N 2.82 1.61 -0.23 1.70 3.00 -0.82 -0.56 118.16 125.69 3mle n LYS 35 Ca -0.17 -4.27 -0.06 0.00 -0.00 0.00 0.00 58.31 53.81 3mle n LYS 35 Cb 0.52 -2.16 0.04 0.00 0.00 0.00 0.00 35.03 33.44 3mle n LYS 35 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 3mle h PRO 36 N 5.27 0.91 -5.25 1.64 0.13 -1.73 -3.37 132.00 129.60 3mle h PRO 36 Ca 0.17 -0.11 -0.66 0.00 -0.87 0.00 0.00 66.00 64.53 3mle h PRO 36 Cb 0.77 -0.18 -0.33 0.00 0.13 0.00 0.00 31.00 31.39 3mle h PRO 36 CO 0.67 0.69 -0.87 0.42 -0.23 0.00 0.00 178.00 178.67 3mle s ILE 37 N -5.84 1.96 -0.08 -3.56 1.01 -1.26 -1.16 121.20 112.28 3mle s ILE 37 Ca -0.13 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.49 3mle s ILE 37 Cb 0.14 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.92 3mle s ILE 37 CO 0.78 0.54 0.20 -0.70 0.00 0.00 0.00 174.94 175.76 3mle s GLU 38 N 0.39 0.23 0.32 2.79 2.12 -0.21 -4.57 118.70 119.76 3mle s GLU 38 Ca -0.18 0.30 0.05 0.00 0.36 0.00 0.00 54.97 55.50 3mle s GLU 38 Cb -0.18 0.09 -0.06 0.00 0.26 0.00 0.00 34.13 34.24 3mle s GLU 38 CO 0.08 -0.04 0.01 0.95 -0.54 0.00 0.00 175.26 175.72 3mle s THR 39 N 0.21 1.48 -0.73 -1.70 -4.23 -1.26 -1.77 115.64 107.64 3mle s THR 39 Ca -0.01 -2.05 -0.00 0.00 -1.18 0.00 0.00 61.69 58.45 3mle s THR 39 Cb -0.02 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.12 3mle s THR 39 CO -0.00 -0.12 0.04 0.61 -0.54 0.00 0.00 174.62 174.61 3mle n GLY 40 N -0.69 0.04 3.40 3.99 0.00 0.15 -4.89 105.19 107.19 3mle n GLY 40 Ca -0.04 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 3mle n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mle s VAL 41 N -2.50 2.34 -0.31 1.61 -7.23 -0.37 -4.91 120.40 109.03 3mle s VAL 41 Ca 0.02 -1.72 -0.03 0.00 -1.81 0.00 0.00 61.98 58.44 3mle s VAL 41 Cb -0.01 -2.04 0.11 0.00 0.56 0.00 0.00 36.38 35.00 3mle s VAL 41 CO 0.03 0.09 0.16 0.21 -0.31 0.00 0.00 175.10 175.28 3mle s ASN 42 N -2.07 3.32 0.38 4.85 3.84 -1.26 -3.28 114.94 120.73 3mle s ASN 42 Ca 0.15 -1.55 0.28 0.00 0.21 0.00 0.00 52.86 51.94 3mle s ASN 42 Cb -0.10 -0.34 1.08 0.00 -0.55 0.00 0.00 41.25 41.33 3mle s ASN 42 CO 0.07 -0.40 1.82 0.44 -2.79 0.00 0.00 177.10 176.24 3mle h ASP 43 N 7.98 0.00 0.10 -4.21 3.32 -1.99 -0.14 116.42 121.49 3mle h ASP 43 Ca -0.12 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.79 3mle h ASP 43 Cb 1.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 3mle h ASP 43 CO 0.38 0.00 -0.48 0.00 -1.72 0.00 0.00 179.24 177.42 3mle h ALA 44 N 2.17 0.86 0.00 3.45 0.00 -2.06 -3.39 119.26 120.29 3mle h ALA 44 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 54.91 54.15 3mle h ALA 44 Cb 0.50 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3mle h ALA 44 CO 0.00 0.66 -2.06 -0.89 0.00 0.00 0.00 179.25 176.96 3mle n ILE 45 N -3.98 1.07 -5.09 0.00 2.08 -0.85 -4.99 119.36 107.60 3mle n ILE 45 Ca -0.02 -0.38 -0.32 0.00 0.56 0.00 0.00 62.75 62.58 3mle n ILE 45 Cb 0.55 -1.26 -0.16 0.00 -0.75 0.00 0.00 39.64 38.02 3mle n ILE 45 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3mle s ASN 46 N -5.97 3.38 -0.27 4.38 2.47 -0.12 -5.01 114.94 113.79 3mle s ASN 46 Ca -0.25 -0.48 0.09 0.00 0.42 0.00 0.00 52.86 52.63 3mle s ASN 46 Cb 0.07 -1.44 0.45 0.00 -1.45 0.00 0.00 41.25 38.89 3mle s ASN 46 CO 0.41 0.17 1.31 1.41 -3.72 0.00 0.00 177.10 176.68 3mle n HIS 47 N 3.48 1.22 -0.62 0.43 8.25 -1.26 -4.30 115.22 122.41 3mle n HIS 47 Ca -0.19 -1.81 0.05 0.00 -0.26 0.00 0.00 57.72 55.51 3mle n HIS 47 Cb 0.53 -0.39 0.06 0.00 1.12 0.00 0.00 29.99 31.31 3mle n HIS 47 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3mle n SER 48 N -0.99 1.97 -4.60 0.41 2.88 -1.26 -4.73 113.62 107.29 3mle n SER 48 Ca 0.32 -2.44 -0.30 0.00 -1.33 0.00 0.00 58.87 55.12 3mle n SER 48 Cb 0.86 -0.20 0.20 0.00 -0.75 0.00 0.00 64.21 64.31 3mle n SER 48 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3mle s SER 49 N -1.80 2.18 0.27 -3.46 1.04 -1.26 -4.66 113.70 106.01 3mle s SER 49 Ca 0.14 1.75 -0.02 0.00 0.48 0.00 0.00 55.95 58.30 3mle s SER 49 Cb 0.13 -2.37 0.43 0.00 0.10 0.00 0.00 66.02 64.30 3mle s SER 49 CO 0.01 -3.49 1.89 0.44 0.98 0.00 0.00 173.24 173.07 3mle h ASP 50 N -2.14 1.03 -0.69 7.02 5.19 -1.98 -0.80 116.42 124.05 3mle h ASP 50 Ca -0.53 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 55.83 3mle h ASP 50 Cb 1.30 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 40.57 3mle h ASP 50 CO 0.48 0.65 0.19 0.00 -3.12 0.00 0.00 179.24 177.45 3mle h ALA 51 N 1.46 0.90 -0.14 3.45 0.00 -1.90 -0.13 119.26 122.90 3mle h ALA 51 Ca 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3mle h ALA 51 Cb 0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3mle h ALA 51 CO -0.17 0.60 0.06 0.45 0.00 0.00 0.00 179.25 180.20 3mle h HIS 52 N 1.02 0.22 -0.54 0.00 3.86 -1.55 0.34 115.15 118.50 3mle h HIS 52 Ca 0.22 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.44 3mle h HIS 52 Cb 0.33 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 3mle h HIS 52 CO 0.03 0.29 0.32 -0.07 0.86 0.00 0.00 177.93 179.35 3mle h LEU 53 N 0.08 0.51 -0.70 2.43 3.38 -0.95 -1.93 115.31 118.14 3mle h LEU 53 Ca 0.05 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3mle h LEU 53 Cb 0.16 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3mle h LEU 53 CO -0.00 0.36 0.43 -0.26 0.09 0.00 0.00 178.44 179.05 3mle h PHE 54 N 0.63 0.80 -0.39 1.13 -1.00 -0.76 -2.76 116.94 114.59 3mle h PHE 54 Ca 0.22 0.02 0.02 0.00 2.81 0.00 0.00 57.97 61.05 3mle h PHE 54 Cb 0.04 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.31 3mle h PHE 54 CO -0.07 0.44 0.21 1.25 -1.61 0.00 0.00 178.31 178.53 3mle h LEU 55 N 0.83 0.31 -1.46 1.54 5.85 0.43 0.14 115.31 122.95 3mle h LEU 55 Ca 0.29 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 3mle h LEU 55 Cb 0.05 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3mle h LEU 55 CO -0.12 0.23 -0.27 1.56 -0.34 0.00 0.00 178.44 179.49 3mle h GLN 56 N 0.42 0.00 -0.02 1.25 7.50 -1.34 -0.58 115.11 122.33 3mle h GLN 56 Ca 0.16 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 59.20 3mle h GLN 56 Cb 0.05 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.59 3mle h GLN 56 CO -0.10 0.27 -0.40 -0.44 -1.50 0.00 0.00 178.83 176.66 3mle h ASP 57 N 0.00 0.40 -0.37 1.46 5.19 -1.01 -3.29 116.42 118.80 3mle h ASP 57 Ca -0.00 -0.73 0.03 0.00 -0.62 0.00 0.00 57.03 55.71 3mle h ASP 57 Cb 0.54 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 3mle h ASP 57 CO 0.04 1.07 0.25 0.78 -3.12 0.00 0.00 179.24 178.25 3mle h ASN 58 N -0.24 0.34 0.53 6.45 2.35 -0.44 -2.26 115.58 122.30 3mle h ASN 58 Ca -0.04 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3mle h ASN 58 Cb 1.11 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.40 3mle h ASN 58 CO 0.08 0.23 0.00 0.54 -1.65 0.00 0.00 177.43 176.63 3mle n ARG 59 N -4.48 0.18 0.26 0.81 1.74 -0.25 -0.67 116.66 114.24 3mle n ARG 59 Ca 0.03 0.48 0.16 0.00 -0.77 0.00 0.00 57.85 57.75 3mle n ARG 59 Cb 0.15 -1.89 0.61 0.00 -1.02 0.00 0.00 32.46 30.31 3mle n ARG 59 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3mle h LEU 60 N 0.00 0.00 0.00 0.55 3.38 -1.56 -2.97 115.31 114.71 3mle h LEU 60 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 3mle h LEU 60 Cb 0.27 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 3mle h LEU 60 CO 0.00 0.00 -2.47 0.18 0.09 0.00 0.00 178.44 176.24 3mle n LEU 61 N -3.03 2.67 -3.47 1.67 4.77 0.16 -4.90 117.00 114.87 3mle n LEU 61 Ca 0.01 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.75 3mle n LEU 61 Cb 0.33 -0.87 -0.12 0.00 -2.33 0.00 0.00 43.42 40.43 3mle n LEU 61 CO 0.28 0.83 -0.26 -0.62 -1.33 0.00 0.00 177.39 176.28 3mle s ASP 62 N -6.76 2.66 0.50 -1.43 2.15 -0.49 -5.02 116.67 108.28 3mle s ASP 62 Ca -0.35 -1.27 0.15 0.00 0.43 0.00 0.00 52.55 51.50 3mle s ASP 62 Cb 0.11 -0.00 1.20 0.00 -0.30 0.00 0.00 42.92 43.92 3mle s ASP 62 CO 0.56 -0.39 2.12 -0.09 -0.17 0.00 0.00 175.17 177.20 3mle h ARG 63 N 8.05 0.10 0.00 4.34 1.12 -1.77 -2.50 114.38 123.72 3mle h ARG 63 Ca -0.12 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 3mle h ARG 63 Cb 1.03 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.97 3mle h ARG 63 CO 0.36 0.07 0.00 -1.13 -3.11 0.00 0.00 179.97 176.16 3mle n SER 64 N -4.52 0.30 -4.75 -3.80 3.41 -1.26 -4.84 113.62 98.17 3mle n SER 64 Ca -0.01 0.59 -0.36 0.00 -0.26 0.00 0.00 58.87 58.83 3mle n SER 64 Cb 0.13 -0.65 0.03 0.00 -0.26 0.00 0.00 64.21 63.46 3mle n SER 64 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mle s LEU 65 N -3.70 3.68 0.15 1.04 1.43 -0.94 -5.05 118.68 115.30 3mle s LEU 65 Ca 0.04 2.39 0.03 0.00 -1.03 0.00 0.00 54.13 55.56 3mle s LEU 65 Cb 0.08 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.67 3mle s LEU 65 CO 0.28 -1.56 -0.05 0.42 0.23 0.00 0.00 176.35 175.66 3mle s THR 66 N -1.59 0.91 0.21 5.49 -4.23 -1.26 -5.00 115.64 110.17 3mle s THR 66 Ca 0.77 -2.01 -0.10 0.00 -1.18 0.00 0.00 61.69 59.17 3mle s THR 66 Cb -0.30 -1.94 0.16 0.00 1.34 0.00 0.00 72.50 71.76 3mle s THR 66 CO 0.33 -0.65 1.70 0.25 -0.54 0.00 0.00 174.62 175.71 3mle h LEU 67 N 2.76 -0.04 -2.13 4.79 5.85 -1.94 0.11 115.31 124.70 3mle h LEU 67 Ca -0.36 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3mle h LEU 67 Cb 1.19 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3mle h LEU 67 CO 0.64 -0.01 0.00 0.07 -0.34 0.00 0.00 178.44 178.80 3mle h LYS 68 N 0.23 0.00 0.00 1.25 2.10 -1.97 -1.32 116.57 116.86 3mle h LYS 68 Ca 0.31 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.85 3mle h LYS 68 Cb 0.47 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.78 3mle h LYS 68 CO -0.42 0.00 -0.54 -0.44 -2.00 0.00 0.00 179.45 176.06 3mle h ASP 69 N 0.00 0.00 0.00 7.07 3.32 -1.19 -3.37 116.42 122.25 3mle h ASP 69 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mle h ASP 69 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3mle h ASP 69 CO 0.00 0.54 0.00 2.30 -1.72 0.00 0.00 179.24 180.36 3mle n ILE 70 N -3.52 0.00 -3.74 0.35 -5.35 -0.65 -4.99 119.36 101.47 3mle n ILE 70 Ca -0.00 -0.49 -0.13 0.00 -0.27 0.00 0.00 62.75 61.86 3mle n ILE 70 Cb 0.63 1.02 -0.13 0.00 -1.74 0.00 0.00 39.64 39.41 3mle n ILE 70 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3mle s SER 71 N -0.29 -0.20 -0.02 7.28 0.15 -0.59 -1.94 113.70 118.09 3mle s SER 71 Ca 0.00 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.07 3mle s SER 71 Cb 0.00 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.62 3mle s SER 71 CO 0.00 -0.15 -0.02 0.49 1.20 0.00 0.00 173.24 174.76 3mle n PHE 72 N 4.08 0.00 -4.00 3.44 3.72 -0.31 -4.33 117.46 120.07 3mle n PHE 72 Ca -0.24 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.82 3mle n PHE 72 Cb 0.53 -0.08 -0.15 0.00 -0.94 0.00 0.00 39.48 38.84 3mle n PHE 72 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3mle s TYR 73 N -2.04 3.05 -0.06 1.38 2.02 -0.46 -5.05 117.35 116.19 3mle s TYR 73 Ca -0.03 -1.67 0.00 0.00 -0.37 0.00 0.00 57.07 55.00 3mle s TYR 73 Cb 0.01 -2.02 0.02 0.00 -0.40 0.00 0.00 41.96 39.57 3mle s TYR 73 CO 0.05 -0.76 -0.04 1.03 -1.57 0.00 0.00 175.55 174.26 3mle s ARG 74 N 1.29 0.83 0.05 -0.62 0.52 -1.26 -1.04 118.95 118.73 3mle s ARG 74 Ca -0.00 -0.07 0.04 0.00 -0.52 0.00 0.00 55.73 55.18 3mle s ARG 74 Cb -0.17 -0.93 -0.02 0.00 0.52 0.00 0.00 34.95 34.35 3mle s ARG 74 CO -0.06 -0.15 -0.11 0.71 0.02 0.00 0.00 175.30 175.71 3mle s TYR 75 N 1.23 0.95 0.17 -0.53 2.02 -0.73 -5.02 117.35 115.44 3mle s TYR 75 Ca -0.06 -0.44 -0.07 0.00 -0.37 0.00 0.00 57.07 56.13 3mle s TYR 75 Cb -0.14 -0.55 0.06 0.00 -0.40 0.00 0.00 41.96 40.93 3mle s TYR 75 CO -0.02 -0.01 1.51 0.45 -1.57 0.00 0.00 175.55 175.92 3mle h HIS 76 N 4.55 0.91 -3.34 2.71 3.86 -1.90 0.21 115.15 122.16 3mle h HIS 76 Ca -0.38 -0.28 -0.53 0.00 -1.16 0.00 0.00 60.37 58.02 3mle h HIS 76 Cb 1.19 -0.19 0.07 0.00 1.06 0.00 0.00 27.41 29.54 3mle h HIS 76 CO 0.61 1.05 0.81 0.21 0.86 0.00 0.00 177.93 181.48 3mle s LYS 77 N -4.26 4.21 -1.17 2.45 2.20 -1.26 -3.53 119.74 118.38 3mle s LYS 77 Ca -0.09 2.41 -0.16 0.00 -0.36 0.00 0.00 55.97 57.77 3mle s LYS 77 Cb 0.11 -3.08 0.15 0.00 -1.51 0.00 0.00 37.83 33.50 3mle s LYS 77 CO 0.86 -0.51 1.43 0.08 -0.36 0.00 0.00 175.35 176.85 3mle s VAL 78 N 0.04 4.81 0.34 4.02 1.01 -1.26 -0.68 120.40 128.69 3mle s VAL 78 Ca 0.61 -2.29 -0.18 0.00 0.00 0.00 0.00 61.98 60.13 3mle s VAL 78 Cb -0.44 -4.94 0.04 0.00 0.00 0.00 0.00 36.38 31.04 3mle s VAL 78 CO 0.44 -1.67 0.76 -0.94 0.00 0.00 0.00 175.10 173.69 3mle s SER 79 N 3.24 -0.09 0.42 3.32 1.04 -1.26 -4.96 113.70 115.41 3mle s SER 79 Ca 0.43 -0.94 -0.26 0.00 0.48 0.00 0.00 55.95 55.66 3mle s SER 79 Cb -0.02 0.80 -0.10 0.00 0.10 0.00 0.00 66.02 66.80 3mle s SER 79 CO -0.01 -1.55 1.30 0.00 0.98 0.00 0.00 173.24 173.96 3mle n ALA 80 N -0.50 1.42 -0.30 5.32 0.00 -1.26 -4.80 120.51 120.39 3mle n ALA 80 Ca -0.07 0.27 0.03 0.00 0.00 0.00 0.00 53.44 53.68 3mle n ALA 80 Cb 0.60 -2.29 0.17 0.00 0.00 0.00 0.00 19.45 17.93 3mle n ALA 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3mle h PRO 81 N 2.16 0.80 -0.66 0.00 0.11 -1.91 -1.92 132.00 130.58 3mle h PRO 81 Ca -0.48 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 65.66 3mle h PRO 81 Cb 1.29 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 3mle h PRO 81 CO 0.60 0.53 0.33 1.25 -0.21 0.00 0.00 178.00 180.50 3mle h LEU 82 N 0.82 0.43 -0.19 2.35 5.85 -1.55 0.36 115.31 123.39 3mle h LEU 82 Ca 0.41 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.15 3mle h LEU 82 Cb 0.36 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3mle h LEU 82 CO -0.24 0.26 0.03 0.40 -0.34 0.00 0.00 178.44 178.55 3mle h ILE 83 N 0.58 1.23 0.03 4.05 1.08 -1.68 -1.70 117.51 121.09 3mle h ILE 83 Ca 0.32 -0.74 0.02 0.00 -0.39 0.00 0.00 64.86 64.07 3mle h ILE 83 Cb 0.30 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 35.37 3mle h ILE 83 CO -0.24 0.23 -0.18 0.00 -0.69 0.00 0.00 178.15 177.26 3mle h ALA 84 N 0.83 -0.25 0.12 1.87 0.00 -0.73 -2.49 119.26 118.60 3mle h ALA 84 Ca 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3mle h ALA 84 Cb 0.32 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3mle h ALA 84 CO 0.00 -0.69 -0.38 0.37 0.00 0.00 0.00 179.25 178.56 3mle h GLN 85 N -0.31 -0.59 -0.96 0.00 -0.00 -0.20 0.43 115.11 113.48 3mle h GLN 85 Ca 0.05 0.04 0.15 0.00 -0.00 0.00 0.00 58.65 58.88 3mle h GLN 85 Cb 0.37 0.13 -0.08 0.00 0.00 0.00 0.00 27.48 27.90 3mle h GLN 85 CO -0.15 -0.39 0.61 1.96 0.00 0.00 0.00 178.83 180.85 3mle h GLN 86 N -0.61 0.78 0.23 1.69 4.20 -1.25 0.57 115.11 120.72 3mle h GLN 86 Ca 0.03 -0.05 -0.33 0.00 0.06 0.00 0.00 58.65 58.36 3mle h GLN 86 Cb 0.64 -0.18 0.04 0.00 0.30 0.00 0.00 27.48 28.28 3mle h GLN 86 CO -0.22 0.52 -1.44 1.49 -0.67 0.00 0.00 178.83 178.51 3mle h GLU 87 N 0.80 0.54 0.00 1.46 4.81 -1.07 -3.31 114.58 117.82 3mle h GLU 87 Ca 0.49 -0.89 -0.24 0.00 -0.13 0.00 0.00 59.36 58.59 3mle h GLU 87 Cb 0.69 0.33 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 3mle h GLU 87 CO -0.26 1.42 -2.24 0.39 -0.73 0.00 0.00 179.01 177.59 3mle n GLU 88 N -3.72 0.71 -3.09 1.92 1.02 0.11 -4.70 120.64 112.88 3mle n GLU 88 Ca -0.16 -0.07 -0.17 0.00 -0.02 0.00 0.00 57.16 56.73 3mle n GLU 88 Cb 1.09 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.98 3mle n GLU 88 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3mle n ASP 89 N -2.57 -0.01 -0.16 1.62 2.03 0.19 -5.00 116.55 112.65 3mle n ASP 89 Ca -0.23 -3.07 0.11 0.00 0.52 0.00 0.00 54.79 52.13 3mle n ASP 89 Cb 0.95 -0.09 0.44 0.00 -0.72 0.00 0.00 41.12 41.70 3mle n ASP 89 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3mle h PRO 90 N 3.26 0.54 -0.09 -0.67 0.11 -1.62 -1.36 132.00 132.17 3mle h PRO 90 Ca 0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3mle h PRO 90 Cb 0.97 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3mle h PRO 90 CO 0.43 0.36 0.00 0.09 -0.21 0.00 0.00 178.00 178.66 3mle n ASN 91 N -4.49 0.69 -3.37 -2.05 3.02 -1.26 -4.46 115.26 103.34 3mle n ASN 91 Ca 0.13 -1.68 -0.26 0.00 -0.03 0.00 0.00 54.58 52.73 3mle n ASN 91 Cb 0.39 -0.06 -0.09 0.00 -0.61 0.00 0.00 39.78 39.41 3mle n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mle n ALA 92 N -0.27 2.83 -1.57 5.41 0.00 -0.51 -5.11 120.51 121.29 3mle n ALA 92 Ca 0.12 -3.39 -0.36 0.00 0.00 0.00 0.00 53.44 49.81 3mle n ALA 92 Cb 0.15 -0.80 0.08 0.00 0.00 0.00 0.00 19.45 18.89 3mle n ALA 92 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3mle n PRO 93 N 2.23 0.86 -2.13 0.00 -0.02 -1.26 -4.88 135.00 129.79 3mle n PRO 93 Ca 0.26 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3mle n PRO 93 Cb 0.48 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 3mle n PRO 93 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mle s ILE 94 N -1.58 3.08 -0.48 4.25 1.01 -1.26 -4.97 121.20 121.25 3mle s ILE 94 Ca 0.80 0.82 -0.12 0.00 0.00 0.00 0.00 60.65 62.15 3mle s ILE 94 Cb -0.36 -3.53 0.11 0.00 0.01 0.00 0.00 42.46 38.69 3mle s ILE 94 CO 0.44 0.09 0.39 -0.62 0.00 0.00 0.00 174.94 175.23 3mle s ASP 95 N 0.79 5.92 0.31 3.58 -1.08 -1.26 -4.89 116.67 120.03 3mle s ASP 95 Ca 0.62 -1.70 0.10 0.00 -0.52 0.00 0.00 52.55 51.06 3mle s ASP 95 Cb -0.38 -2.10 0.49 0.00 -1.46 0.00 0.00 42.92 39.46 3mle s ASP 95 CO 0.34 -0.71 1.70 0.71 0.52 0.00 0.00 175.17 177.73 3mle h THR 96 N 5.98 1.36 0.05 1.71 1.35 -1.98 -0.92 112.91 120.46 3mle h THR 96 Ca -0.26 -1.72 -0.00 0.00 -0.55 0.00 0.00 66.41 63.88 3mle h THR 96 Cb 1.09 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 3mle h THR 96 CO 0.90 0.50 -0.03 0.44 -0.25 0.00 0.00 175.52 177.08 3mle h ASP 97 N 0.05 -0.06 0.14 5.36 3.32 -1.99 0.45 116.42 123.68 3mle h ASP 97 Ca -0.00 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.01 3mle h ASP 97 Cb 0.90 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.43 3mle h ASP 97 CO 0.07 0.01 -0.35 -1.13 -1.72 0.00 0.00 179.24 176.12 3mle h ASN 98 N -0.13 -1.01 -0.87 6.45 -1.24 -1.94 -2.17 115.58 114.67 3mle h ASN 98 Ca -0.01 0.11 0.16 0.00 0.71 0.00 0.00 56.30 57.27 3mle h ASN 98 Cb 0.11 0.38 -0.10 0.00 0.73 0.00 0.00 38.32 39.44 3mle h ASN 98 CO 0.01 -0.44 0.45 -0.07 -1.29 0.00 0.00 177.43 176.10 3mle h LEU 99 N -0.59 0.54 -0.39 0.34 3.38 -1.02 -1.27 115.31 116.30 3mle h LEU 99 Ca 0.02 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3mle h LEU 99 Cb 0.61 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3mle h LEU 99 CO -0.19 0.21 0.22 0.74 0.09 0.00 0.00 178.44 179.50 3mle h THR 100 N 0.62 1.15 -0.14 0.22 2.02 -0.47 -0.98 112.91 115.33 3mle h THR 100 Ca 0.48 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 67.32 3mle h THR 100 Cb 0.72 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 3mle h THR 100 CO -0.38 0.15 -0.08 1.56 0.37 0.00 0.00 175.52 177.14 3mle h GLN 101 N 0.51 -0.07 -0.90 6.66 7.50 -0.64 -0.24 115.11 127.93 3mle h GLN 101 Ca 0.14 0.00 0.01 0.00 0.50 0.00 0.00 58.65 59.31 3mle h GLN 101 Cb 0.06 0.02 -0.05 0.00 0.05 0.00 0.00 27.48 27.56 3mle h GLN 101 CO -0.02 -0.05 0.59 0.00 -1.50 0.00 0.00 178.83 177.85 3mle h ARG 102 N -0.07 1.16 -0.01 1.46 3.08 -1.02 0.11 114.38 119.09 3mle h ARG 102 Ca 0.08 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3mle h ARG 102 Cb 0.20 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3mle h ARG 102 CO -0.19 0.77 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.40 3mle h LEU 103 N 1.20 0.03 -0.72 3.04 3.38 -0.91 -3.19 115.31 118.15 3mle h LEU 103 Ca 0.33 -0.55 0.10 0.00 0.09 0.00 0.00 57.88 57.85 3mle h LEU 103 Cb -0.12 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 3mle h LEU 103 CO -0.08 0.58 0.35 -0.74 0.09 0.00 0.00 178.44 178.64 3mle h HIS 104 N -0.52 0.63 -0.94 1.13 2.76 -0.76 -1.31 115.15 116.14 3mle h HIS 104 Ca 0.00 0.03 0.27 0.00 -2.20 0.00 0.00 60.37 58.47 3mle h HIS 104 Cb 0.57 -0.17 -0.14 0.00 1.55 0.00 0.00 27.41 29.22 3mle h HIS 104 CO 0.12 0.21 0.42 -0.91 -1.30 0.00 0.00 177.93 176.47 3mle h ASN 105 N 0.59 0.30 0.35 3.26 2.35 -0.77 0.42 115.58 122.09 3mle h ASN 105 Ca 0.36 0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 56.25 3mle h ASN 105 Cb 0.41 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 3mle h ASN 105 CO -0.29 -0.10 -0.20 -0.26 -1.65 0.00 0.00 177.43 174.93 3mle h PHE 106 N 0.32 0.00 0.00 1.19 0.04 -1.25 -2.44 116.94 114.80 3mle h PHE 106 Ca 0.63 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.40 3mle h PHE 106 Cb 1.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.47 3mle h PHE 106 CO -0.13 0.20 0.00 1.79 -0.60 0.00 0.00 178.31 179.58 3mle h THR 107 N 0.00 0.00 -0.29 -1.55 1.35 -0.18 -0.34 112.91 111.90 3mle h THR 107 Ca -0.00 -0.24 -0.05 0.00 -0.55 0.00 0.00 66.41 65.56 3mle h THR 107 Cb 0.44 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.98 3mle h THR 107 CO 0.03 0.00 -0.06 0.11 -0.25 0.00 0.00 175.52 175.35 3mle h LYS 108 N 0.00 0.45 -0.00 4.72 6.56 -1.46 -1.61 116.57 125.23 3mle h LYS 108 Ca 0.00 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 3mle h LYS 108 Cb 0.26 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 3mle h LYS 108 CO 0.00 0.53 -0.06 0.25 -2.06 0.00 0.00 179.45 178.11 3mle n THR 109 N -4.26 0.00 -5.27 -0.16 -2.24 -0.80 -4.92 114.28 96.64 3mle n THR 109 Ca 0.01 -0.47 -0.31 0.00 -2.27 0.00 0.00 64.05 61.00 3mle n THR 109 Cb 0.27 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.35 3mle n THR 109 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3mle s TYR 110 N -0.91 2.39 0.26 4.78 2.02 -0.20 -5.02 117.35 120.66 3mle s TYR 110 Ca 0.01 -0.52 -0.02 0.00 -0.37 0.00 0.00 57.07 56.17 3mle s TYR 110 Cb 0.01 -1.54 0.42 0.00 -0.40 0.00 0.00 41.96 40.45 3mle s TYR 110 CO 0.05 -0.09 1.86 -0.44 -1.57 0.00 0.00 175.55 175.37 3mle h ASP 111 N 5.68 0.96 -3.38 2.29 3.32 -1.43 -3.37 116.42 120.49 3mle h ASP 111 Ca -0.39 0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.39 3mle h ASP 111 Cb 1.14 -0.18 -0.34 0.00 0.22 0.00 0.00 39.33 40.17 3mle h ASP 111 CO 0.47 0.59 -0.65 -0.22 -1.72 0.00 0.00 179.24 177.71 3mle s LEU 112 N -10.20 0.61 -0.34 1.55 2.96 -0.66 -1.52 118.68 111.08 3mle s LEU 112 Ca -0.12 0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 53.96 3mle s LEU 112 Cb 0.20 0.18 0.06 0.00 0.50 0.00 0.00 46.19 47.13 3mle s LEU 112 CO 0.81 -0.17 0.10 -0.69 -1.32 0.00 0.00 176.35 175.07 3mle s VAL 113 N 1.45 3.45 -0.16 1.68 1.01 0.61 -1.96 120.40 126.48 3mle s VAL 113 Ca -0.06 -1.40 -0.19 0.00 0.00 0.00 0.00 61.98 60.33 3mle s VAL 113 Cb -0.12 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3mle s VAL 113 CO -0.05 -0.27 0.53 -0.63 0.00 0.00 0.00 175.10 174.68 3mle s ILE 114 N 1.31 5.12 -0.26 2.22 1.01 -0.51 -1.20 121.20 128.88 3mle s ILE 114 Ca -0.01 1.01 0.01 0.00 0.00 0.00 0.00 60.65 61.66 3mle s ILE 114 Cb -0.20 -3.86 0.05 0.00 0.01 0.00 0.00 42.46 38.46 3mle s ILE 114 CO 0.00 0.22 -0.09 -0.69 0.00 0.00 0.00 174.94 174.39 3mle s VAL 115 N 1.28 2.43 -0.11 2.92 1.01 0.68 -0.28 120.40 128.32 3mle s VAL 115 Ca 0.26 -1.47 -0.27 0.00 0.00 0.00 0.00 61.98 60.50 3mle s VAL 115 Cb -0.15 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3mle s VAL 115 CO 0.10 0.02 0.91 -0.70 0.00 0.00 0.00 175.10 175.43 3mle s GLU 116 N 1.17 4.40 0.00 2.72 2.12 0.28 -0.09 118.70 129.30 3mle s GLU 116 Ca -0.06 1.20 0.00 0.00 0.36 0.00 0.00 54.97 56.47 3mle s GLU 116 Cb -0.19 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.67 3mle s GLU 116 CO -0.05 -0.24 0.00 0.41 -0.54 0.00 0.00 175.26 174.84 3mle n GLY 117 N 3.20 -1.73 2.97 -1.50 0.00 -0.41 -4.18 105.19 103.54 3mle n GLY 117 Ca 0.06 -1.49 -0.22 0.00 0.00 0.00 0.00 46.02 44.37 3mle n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mle s ALA 118 N -3.34 0.94 0.00 4.61 0.00 -1.26 -4.93 121.76 117.78 3mle s ALA 118 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.70 3mle s ALA 118 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.67 3mle s ALA 118 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.25 3mle n GLY 119 N 3.76 2.78 0.00 0.00 0.00 -1.26 -4.82 105.19 105.65 3mle n GLY 119 Ca -0.23 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3mle n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mle n GLY 120 N 0.00 1.53 0.26 -0.02 0.00 -1.26 -3.91 105.19 101.79 3mle n GLY 120 Ca 0.00 -2.03 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 3mle n GLY 120 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mle h LEU 121 N 0.00 0.99 -1.78 0.99 3.38 -1.88 -3.18 115.31 113.82 3mle h LEU 121 Ca 0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3mle h LEU 121 Cb 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3mle h LEU 121 CO 0.00 1.30 0.00 0.00 0.09 0.00 0.00 178.44 179.83 3mle s VAL 123 N -1.35 3.33 0.19 0.00 1.01 -1.20 -4.80 120.40 117.57 3mle s VAL 123 Ca 0.32 0.60 -0.30 0.00 0.00 0.00 0.00 61.98 62.60 3mle s VAL 123 Cb 0.17 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 3mle s VAL 123 CO 0.22 -0.03 1.01 -2.16 0.00 0.00 0.00 175.10 174.14 3mle s PRO 124 N 3.36 4.71 -0.23 2.72 0.04 -1.26 -1.58 135.00 142.76 3mle s PRO 124 Ca 0.74 1.57 -0.09 0.00 0.04 0.00 0.00 61.00 63.26 3mle s PRO 124 Cb -0.36 -3.30 -0.11 0.00 0.04 0.00 0.00 34.50 30.76 3mle s PRO 124 CO 0.31 0.27 -0.28 -0.89 0.04 0.00 0.00 177.00 176.45 3mle n ILE 125 N 2.11 1.30 -4.45 0.56 5.41 0.26 -2.39 119.36 122.15 3mle n ILE 125 Ca 0.01 -0.37 -0.22 0.00 1.00 0.00 0.00 62.75 63.17 3mle n ILE 125 Cb 0.47 -1.70 -0.09 0.00 -0.71 0.00 0.00 39.64 37.61 3mle n ILE 125 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3mle s THR 126 N -2.44 0.80 0.41 1.39 -4.23 -0.48 -3.68 115.64 107.41 3mle s THR 126 Ca -0.32 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.39 3mle s THR 126 Cb 0.12 -2.58 0.41 0.00 1.34 0.00 0.00 72.50 71.79 3mle s THR 126 CO 0.44 0.00 1.76 -0.07 -0.54 0.00 0.00 174.62 176.21 3mle h LEU 127 N 2.03 0.40 0.00 4.79 3.38 -1.97 -2.55 115.31 121.40 3mle h LEU 127 Ca -0.38 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3mle h LEU 127 Cb 1.26 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3mle h LEU 127 CO 0.62 0.05 -1.06 -0.62 0.09 0.00 0.00 178.44 177.52 3mle n GLU 128 N -4.61 1.29 -4.12 1.13 -0.58 -1.26 -5.03 120.64 107.47 3mle n GLU 128 Ca 0.26 -0.04 -0.15 0.00 -0.42 0.00 0.00 57.16 56.81 3mle n GLU 128 Cb 0.95 -1.31 -0.14 0.00 -0.57 0.00 0.00 31.44 30.38 3mle n GLU 128 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3mle s GLU 129 N -2.72 0.41 0.52 3.49 2.02 -0.96 -5.10 118.70 116.36 3mle s GLU 129 Ca 0.03 -0.28 0.02 0.00 0.02 0.00 0.00 54.97 54.75 3mle s GLU 129 Cb 0.12 -0.35 -0.00 0.00 0.10 0.00 0.00 34.13 33.99 3mle s GLU 129 CO 0.68 0.09 0.07 0.54 0.02 0.00 0.00 175.26 176.66 3mle s ASN 130 N -0.39 4.22 0.25 -0.19 2.20 -1.26 -0.58 114.94 119.19 3mle s ASN 130 Ca -0.01 -1.59 -0.05 0.00 -0.94 0.00 0.00 52.86 50.28 3mle s ASN 130 Cb -0.03 0.52 0.35 0.00 -2.00 0.00 0.00 41.25 40.08 3mle s ASN 130 CO -0.00 -0.90 1.86 0.24 -2.94 0.00 0.00 177.10 175.36 3mle h MET 131 N 1.24 1.02 -0.22 3.55 2.86 -1.08 -0.94 114.93 121.36 3mle h MET 131 Ca -0.43 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.16 3mle h MET 131 Cb 1.31 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 3mle h MET 131 CO 0.71 0.68 0.12 1.25 1.06 0.00 0.00 176.91 180.73 3mle h LEU 132 N 1.05 0.19 -0.55 1.22 5.85 -1.37 -0.39 115.31 121.31 3mle h LEU 132 Ca 0.39 0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.21 3mle h LEU 132 Cb 0.15 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 3mle h LEU 132 CO -0.17 0.14 0.12 0.44 -0.34 0.00 0.00 178.44 178.63 3mle h ASP 133 N 0.25 0.02 0.03 1.25 3.32 -1.51 -0.83 116.42 118.95 3mle h ASP 133 Ca 0.09 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.25 3mle h ASP 133 Cb 0.01 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3mle h ASP 133 CO -0.05 0.03 -0.11 0.15 -1.72 0.00 0.00 179.24 177.54 3mle h PHE 134 N 0.26 -0.28 -0.81 4.55 3.57 -0.77 0.07 116.94 123.53 3mle h PHE 134 Ca 0.28 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.86 3mle h PHE 134 Cb 0.39 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 3mle h PHE 134 CO -0.23 -0.17 0.53 0.00 -2.23 0.00 0.00 178.31 176.21 3mle h ALA 135 N 0.74 1.64 -0.24 2.41 0.00 -0.31 -0.72 119.26 122.78 3mle h ALA 135 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3mle h ALA 135 Cb 0.24 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3mle h ALA 135 CO -0.09 0.23 -0.23 -0.07 0.00 0.00 0.00 179.25 179.09 3mle h LEU 136 N 0.86 0.62 -1.07 0.00 3.38 -0.75 -2.76 115.31 115.58 3mle h LEU 136 Ca 0.35 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3mle h LEU 136 Cb 0.27 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3mle h LEU 136 CO -0.13 0.96 0.62 0.50 0.09 0.00 0.00 178.44 180.48 3mle h LYS 137 N 0.28 1.14 0.00 1.13 3.64 -0.23 0.31 116.57 122.86 3mle h LYS 137 Ca 0.04 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3mle h LYS 137 Cb 0.78 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3mle h LYS 137 CO 0.06 0.76 0.00 1.28 -2.27 0.00 0.00 179.45 179.27 3mle n LEU 138 N -4.45 0.00 -2.93 5.20 4.77 -0.35 -4.86 117.00 114.38 3mle n LEU 138 Ca 0.13 0.42 -0.16 0.00 -0.03 0.00 0.00 56.01 56.37 3mle n LEU 138 Cb 0.12 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 3mle n LEU 138 CO 0.34 -0.24 -0.08 0.29 -1.33 0.00 0.00 177.39 176.38 3mle n LYS 139 N -1.42 -2.82 -2.38 3.23 4.01 0.10 -4.92 118.16 113.95 3mle n LYS 139 Ca 0.04 0.43 -0.27 0.00 -0.51 0.00 0.00 58.31 58.01 3mle n LYS 139 Cb 0.13 -5.07 0.02 0.00 -0.51 0.00 0.00 35.03 29.61 3mle n LYS 139 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3mle s ALA 140 N -2.68 3.29 0.35 7.82 0.00 -1.05 -4.97 121.76 124.52 3mle s ALA 140 Ca 0.21 -0.61 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 3mle s ALA 140 Cb -0.11 -2.65 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 3mle s ALA 140 CO 0.25 -0.73 0.75 0.15 0.00 0.00 0.00 175.76 176.18 3mle s LYS 141 N -4.98 3.94 -0.16 0.00 1.02 -0.68 -4.70 119.74 114.18 3mle s LYS 141 Ca 0.53 0.62 -0.01 0.00 0.02 0.00 0.00 55.97 57.13 3mle s LYS 141 Cb -0.11 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.78 3mle s LYS 141 CO 0.46 0.09 -0.11 1.41 -0.92 0.00 0.00 175.35 176.28 3mle s MET 142 N -3.26 3.39 -0.24 1.68 -2.45 -0.07 0.61 119.30 118.95 3mle s MET 142 Ca 0.53 -0.67 0.02 0.00 -1.25 0.00 0.00 55.69 54.32 3mle s MET 142 Cb -0.10 -2.74 0.05 0.00 1.25 0.00 0.00 34.83 33.28 3mle s MET 142 CO 0.22 0.10 -0.11 -1.17 1.05 0.00 0.00 175.02 175.10 3mle s LEU 143 N 0.66 3.16 -0.33 4.11 2.96 0.11 -1.09 118.68 128.27 3mle s LEU 143 Ca -0.06 -1.15 -0.11 0.00 -0.22 0.00 0.00 54.13 52.59 3mle s LEU 143 Cb -0.15 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 3mle s LEU 143 CO 0.02 -0.15 0.19 -0.22 -1.32 0.00 0.00 176.35 174.88 3mle s LEU 144 N 1.19 4.34 0.01 -0.68 0.20 -0.11 -1.27 118.68 122.36 3mle s LEU 144 Ca -0.04 -0.54 -0.21 0.00 0.69 0.00 0.00 54.13 54.03 3mle s LEU 144 Cb -0.18 -2.06 -0.06 0.00 -0.43 0.00 0.00 46.19 43.47 3mle s LEU 144 CO -0.06 -0.23 0.61 -0.63 -0.29 0.00 0.00 176.35 175.74 3mle s ILE 145 N 1.65 4.86 0.09 6.68 -1.09 0.14 -1.32 121.20 132.22 3mle s ILE 145 Ca 0.05 1.28 0.07 0.00 -2.23 0.00 0.00 60.65 59.82 3mle s ILE 145 Cb -0.17 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 3mle s ILE 145 CO 0.08 0.44 -0.14 -0.55 -1.23 0.00 0.00 174.94 173.54 3mle s SER 146 N -0.34 4.16 0.99 3.58 0.15 0.36 -0.55 113.70 122.05 3mle s SER 146 Ca 0.31 -0.43 -0.12 0.00 0.70 0.00 0.00 55.95 56.41 3mle s SER 146 Cb -0.19 -0.72 0.18 0.00 -1.71 0.00 0.00 66.02 63.58 3mle s SER 146 CO 0.18 0.20 1.09 -1.38 1.20 0.00 0.00 173.24 174.52 3mle s HIS 147 N -1.14 2.09 -0.19 3.44 -3.43 -1.26 -0.71 115.29 114.10 3mle s HIS 147 Ca 0.19 1.06 0.16 0.00 -0.80 0.00 0.00 55.06 55.67 3mle s HIS 147 Cb -0.11 -3.23 0.54 0.00 -1.43 0.00 0.00 32.58 28.35 3mle s HIS 147 CO 0.11 -2.87 1.44 -0.40 -2.00 0.00 0.00 174.74 171.02 3mle n ASP 148 N -4.17 3.91 -4.96 7.38 5.75 -1.25 -4.62 116.55 118.58 3mle n ASP 148 Ca 0.05 -3.04 -0.19 0.00 -0.01 0.00 0.00 54.79 51.60 3mle n ASP 148 Cb 0.57 -0.55 -0.01 0.00 -1.03 0.00 0.00 41.12 40.09 3mle n ASP 148 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3mle s ASN 149 N -1.92 5.62 -0.09 -1.12 0.01 -1.26 -4.77 114.94 111.42 3mle s ASN 149 Ca 0.43 -0.40 -0.39 0.00 -0.71 0.00 0.00 52.86 51.79 3mle s ASN 149 Cb 0.35 -0.89 -0.17 0.00 0.41 0.00 0.00 41.25 40.95 3mle s ASN 149 CO 0.09 -0.57 1.48 -0.11 -1.51 0.00 0.00 177.10 176.47 3mle n LEU 150 N -1.66 1.72 0.00 0.60 7.94 -1.26 -1.16 117.00 123.17 3mle n LEU 150 Ca 0.03 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.04 3mle n LEU 150 Cb 0.59 -1.13 0.00 0.00 0.53 0.00 0.00 43.42 43.42 3mle n LEU 150 CO 0.41 -0.90 0.00 0.61 -1.11 0.00 0.00 177.39 176.40 3mle n GLY 151 N 3.11 0.69 0.24 -3.96 0.00 -1.26 -4.99 105.19 99.02 3mle n GLY 151 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 3mle n GLY 151 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3mle h LEU 152 N 0.00 0.38 0.05 0.99 8.10 -1.46 -2.64 115.31 120.73 3mle h LEU 152 Ca 0.00 -0.11 0.01 0.00 0.11 0.00 0.00 57.88 57.89 3mle h LEU 152 Cb 0.00 -0.10 -0.02 0.00 -0.44 0.00 0.00 40.66 40.10 3mle h LEU 152 CO 0.00 0.59 -0.10 0.40 -4.11 0.00 0.00 178.44 175.22 3mle h ILE 153 N 0.35 0.76 -0.29 0.15 2.04 -1.94 0.37 117.51 118.95 3mle h ILE 153 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 3mle h ILE 153 Cb 0.55 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3mle h ILE 153 CO 0.04 0.00 0.11 -1.13 0.00 0.00 0.00 178.15 177.16 3mle h ASN 154 N -0.20 0.13 -0.24 1.72 -1.24 -1.95 -0.69 115.58 113.11 3mle h ASN 154 Ca 0.02 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 3mle h ASN 154 Cb 0.22 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 3mle h ASN 154 CO -0.07 0.11 0.12 0.44 -1.29 0.00 0.00 177.43 176.74 3mle h ASP 155 N 0.24 0.31 -0.23 1.15 3.32 -1.20 -0.31 116.42 119.69 3mle h ASP 155 Ca 0.12 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.08 3mle h ASP 155 Cb 0.08 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3mle h ASP 155 CO -0.12 0.33 0.09 0.00 -1.72 0.00 0.00 179.24 177.82 3mle h LEU 157 N 0.20 0.73 -0.35 0.00 3.38 -0.89 0.18 115.31 118.56 3mle h LEU 157 Ca 0.10 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3mle h LEU 157 Cb 0.06 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3mle h LEU 157 CO -0.10 1.02 0.11 -0.07 0.09 0.00 0.00 178.44 179.49 3mle h LEU 158 N 0.58 0.11 -0.47 1.67 3.38 -0.93 0.89 115.31 120.54 3mle h LEU 158 Ca 0.06 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 3mle h LEU 158 Cb 0.87 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3mle h LEU 158 CO 0.08 0.10 -0.31 0.78 0.09 0.00 0.00 178.44 179.17 3mle h ASN 159 N 0.25 0.98 -0.61 -0.43 2.35 -1.07 -2.34 115.58 114.70 3mle h ASN 159 Ca 0.16 -0.41 0.05 0.00 -0.55 0.00 0.00 56.30 55.55 3mle h ASN 159 Cb 0.14 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 3mle h ASN 159 CO -0.17 1.20 0.34 -0.78 -1.65 0.00 0.00 177.43 176.37 3mle h ASP 160 N 0.78 0.51 -0.45 5.81 3.58 -0.25 0.21 116.42 126.61 3mle h ASP 160 Ca 0.08 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.56 3mle h ASP 160 Cb 0.89 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 3mle h ASP 160 CO 0.08 0.34 0.30 0.15 -2.88 0.00 0.00 179.24 177.23 3mle h PHE 161 N 0.64 0.56 -0.20 0.28 3.57 -0.55 -0.49 116.94 120.75 3mle h PHE 161 Ca 0.27 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 3mle h PHE 161 Cb 0.14 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 3mle h PHE 161 CO -0.08 0.35 -0.01 1.25 -2.23 0.00 0.00 178.31 177.59 3mle h LEU 162 N 0.60 0.36 0.11 0.59 5.85 -0.99 -2.94 115.31 118.89 3mle h LEU 162 Ca 0.17 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3mle h LEU 162 Cb -0.06 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3mle h LEU 162 CO -0.04 0.59 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.52 3mle h LEU 163 N 0.12 -0.12 -2.48 2.25 3.38 -0.79 -2.71 115.31 114.96 3mle h LEU 163 Ca 0.06 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3mle h LEU 163 Cb 0.41 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3mle h LEU 163 CO 0.01 0.11 0.10 0.07 0.09 0.00 0.00 178.44 178.82 3mle h LYS 164 N -0.35 0.00 0.00 1.13 2.10 -1.18 0.11 116.57 118.38 3mle h LYS 164 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3mle h LYS 164 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 3mle h LYS 164 CO 0.02 0.00 0.00 0.43 -2.00 0.00 0.00 179.45 177.90 3mle n SER 165 N -3.55 0.00 -4.16 7.07 7.64 -1.02 -4.86 113.62 114.74 3mle n SER 165 Ca -0.01 -0.86 -0.15 0.00 1.01 0.00 0.00 58.87 58.85 3mle n SER 165 Cb 0.19 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.27 3mle n SER 165 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3mle s HIS 166 N -2.00 1.04 -1.36 1.43 3.76 0.38 -5.07 115.29 113.47 3mle s HIS 166 Ca 0.32 -0.60 -0.16 0.00 -0.15 0.00 0.00 55.06 54.47 3mle s HIS 166 Cb 0.15 -0.58 0.06 0.00 1.11 0.00 0.00 32.58 33.32 3mle s HIS 166 CO 0.25 0.00 1.94 0.00 -0.85 0.00 0.00 174.74 176.08 3mle n GLN 167 N 0.78 3.07 -3.63 1.40 0.00 -1.26 -4.87 117.38 112.86 3mle n GLN 167 Ca -0.18 -3.01 -0.14 0.00 0.00 0.00 0.00 57.00 53.67 3mle n GLN 167 Cb 0.57 -3.39 -0.06 0.00 0.00 0.00 0.00 30.24 27.35 3mle n GLN 167 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 3mle s LEU 168 N 3.24 0.21 -0.09 2.61 2.34 -1.26 -5.07 118.68 120.66 3mle s LEU 168 Ca 0.51 0.12 -0.25 0.00 0.06 0.00 0.00 54.13 54.57 3mle s LEU 168 Cb 0.08 1.88 -0.03 0.00 -0.56 0.00 0.00 46.19 47.56 3mle s LEU 168 CO 0.01 -0.66 0.78 -1.81 -1.06 0.00 0.00 176.35 173.61 3mle s ASP 169 N -1.86 7.02 0.04 1.48 1.11 -1.26 -4.96 116.67 118.24 3mle s ASP 169 Ca -0.07 1.24 -0.02 0.00 0.18 0.00 0.00 52.55 53.89 3mle s ASP 169 Cb -0.01 -2.45 -0.03 0.00 1.07 0.00 0.00 42.92 41.51 3mle s ASP 169 CO -0.01 -0.22 0.00 -0.72 1.18 0.00 0.00 175.17 175.41 3mle s TYR 170 N 1.25 0.36 -0.00 4.23 -0.85 -1.26 -0.89 117.35 120.19 3mle s TYR 170 Ca 0.40 -0.77 0.03 0.00 -0.52 0.00 0.00 57.07 56.21 3mle s TYR 170 Cb -0.18 -0.27 -0.01 0.00 0.38 0.00 0.00 41.96 41.89 3mle s TYR 170 CO 0.18 -0.32 -0.11 0.15 -1.52 0.00 0.00 175.55 173.92 3mle s LYS 171 N -2.89 0.86 -0.23 -3.49 -0.14 -0.25 -4.97 119.74 108.63 3mle s LYS 171 Ca -0.03 -0.43 -0.08 0.00 -1.36 0.00 0.00 55.97 54.07 3mle s LYS 171 Cb 0.01 -0.83 -0.04 0.00 -1.68 0.00 0.00 37.83 35.29 3mle s LYS 171 CO -0.06 0.22 0.10 0.42 -0.76 0.00 0.00 175.35 175.27 3mle s ILE 172 N -0.34 4.76 -0.08 2.17 1.01 -1.26 -0.94 121.20 126.52 3mle s ILE 172 Ca 0.03 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.69 3mle s ILE 172 Cb -0.05 -3.21 0.01 0.00 0.01 0.00 0.00 42.46 39.22 3mle s ILE 172 CO -0.00 0.36 -0.18 0.00 0.00 0.00 0.00 174.94 175.12 3mle s ALA 173 N 1.17 1.70 -0.09 9.38 0.00 -0.43 -1.83 121.76 131.65 3mle s ALA 173 Ca 0.05 -0.69 -0.23 0.00 0.00 0.00 0.00 51.96 51.09 3mle s ALA 173 Cb -0.14 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 3mle s ALA 173 CO 0.04 0.22 0.67 0.42 0.00 0.00 0.00 175.76 177.11 3mle s ILE 174 N 0.43 5.06 -0.92 0.00 1.01 -0.39 -0.49 121.20 125.90 3mle s ILE 174 Ca -0.15 1.37 -0.21 0.00 0.00 0.00 0.00 60.65 61.66 3mle s ILE 174 Cb -0.16 -4.01 0.10 0.00 0.01 0.00 0.00 42.46 38.40 3mle s ILE 174 CO 0.06 0.24 1.21 0.21 0.00 0.00 0.00 174.94 176.66 3mle s ASN 175 N 0.82 6.52 -0.38 3.58 2.47 0.12 -0.59 114.94 127.48 3mle s ASN 175 Ca 0.35 -1.70 -0.20 0.00 0.42 0.00 0.00 52.86 51.73 3mle s ASN 175 Cb -0.17 -2.46 0.01 0.00 -1.45 0.00 0.00 41.25 37.18 3mle s ASN 175 CO 0.16 -1.26 0.61 -0.22 -3.72 0.00 0.00 177.10 172.67 3mle s LEU 176 N 3.62 4.36 0.50 3.21 2.96 -1.26 -3.91 118.68 128.16 3mle s LEU 176 Ca 0.36 -0.06 -0.23 0.00 -0.22 0.00 0.00 54.13 53.98 3mle s LEU 176 Cb -0.05 -2.72 -0.06 0.00 0.50 0.00 0.00 46.19 43.87 3mle s LEU 176 CO -0.07 -0.63 1.30 -0.54 -1.32 0.00 0.00 176.35 175.10 3mle s LYS 177 N 2.66 3.42 0.27 1.98 -0.14 -1.26 -4.91 119.74 121.76 3mle s LYS 177 Ca 0.22 2.11 0.11 0.00 -1.36 0.00 0.00 55.97 57.05 3mle s LYS 177 Cb -0.15 -2.37 0.33 0.00 -1.68 0.00 0.00 37.83 33.97 3mle s LYS 177 CO 0.16 -0.93 1.59 0.78 -0.76 0.00 0.00 175.35 176.20 3mle h GLY 178 N 1.78 0.00 -1.46 -3.33 0.00 -2.05 -2.87 103.07 95.14 3mle h GLY 178 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3mle h GLY 178 CO 0.59 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.29 3mle n ASN 179 N -3.75 2.15 -4.48 0.19 6.94 -1.26 -4.76 115.26 110.29 3mle n ASN 179 Ca -0.01 -1.98 -0.44 0.00 -0.02 0.00 0.00 54.58 52.13 3mle n ASN 179 Cb 0.63 -0.26 -0.01 0.00 -2.36 0.00 0.00 39.78 37.78 3mle n ASN 179 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3mle s ASN 180 N -1.04 6.84 0.14 0.53 3.84 -1.09 -4.80 114.94 119.36 3mle s ASN 180 Ca 0.28 -2.48 -0.11 0.00 0.21 0.00 0.00 52.86 50.76 3mle s ASN 180 Cb 0.14 -2.43 -0.05 0.00 -0.55 0.00 0.00 41.25 38.36 3mle s ASN 180 CO 0.19 -0.97 1.46 0.71 -2.79 0.00 0.00 177.10 175.71 3mle h THR 181 N 5.35 1.27 -0.94 -5.21 1.35 -1.89 -3.31 112.91 109.52 3mle h THR 181 Ca 0.27 -1.58 0.11 0.00 -0.55 0.00 0.00 66.41 64.65 3mle h THR 181 Cb 0.94 1.41 -0.07 0.00 -1.73 0.00 0.00 68.15 68.70 3mle h THR 181 CO 1.23 0.53 0.60 0.00 -0.25 0.00 0.00 175.52 177.64 3mle h ALA 182 N 0.76 1.59 -0.82 6.62 0.00 -1.99 -3.07 119.26 122.35 3mle h ALA 182 Ca 0.06 0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.17 3mle h ALA 182 Cb 1.00 -0.21 -0.13 0.00 0.00 0.00 0.00 17.79 18.45 3mle h ALA 182 CO 0.10 0.20 0.19 0.35 0.00 0.00 0.00 179.25 180.09 3mle h PHE 183 N 0.94 0.28 -0.14 0.00 3.57 -1.86 -1.18 116.94 118.55 3mle h PHE 183 Ca 0.45 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.96 3mle h PHE 183 Cb 0.44 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 3mle h PHE 183 CO -0.00 -0.17 -0.07 1.12 -2.23 0.00 0.00 178.31 176.96 3mle h HIS 184 N 0.22 0.21 0.00 0.41 2.07 -1.77 -1.34 115.15 114.95 3mle h HIS 184 Ca 0.49 -0.01 -0.22 0.00 -2.85 0.00 0.00 60.37 57.77 3mle h HIS 184 Cb 0.92 -0.06 -0.04 0.00 2.57 0.00 0.00 27.41 30.80 3mle h HIS 184 CO -0.28 0.28 -1.96 -1.13 -3.07 0.00 0.00 177.93 171.77 3mle n SER 185 N -4.34 0.32 -0.04 3.10 3.41 -0.87 -4.21 113.62 110.99 3mle n SER 185 Ca -0.01 0.14 -0.22 0.00 -0.26 0.00 0.00 58.87 58.53 3mle n SER 185 Cb 0.22 0.89 -0.13 0.00 -0.26 0.00 0.00 64.21 64.93 3mle n SER 185 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3mle h ILE 186 N 0.00 0.78 0.00 -1.33 2.04 -1.07 -3.44 117.51 114.49 3mle h ILE 186 Ca -0.29 -2.28 -0.16 0.00 1.00 0.00 0.00 64.86 63.13 3mle h ILE 186 Cb 1.75 2.40 -0.03 0.00 -0.74 0.00 0.00 36.82 40.20 3mle h ILE 186 CO 0.03 0.63 -1.55 -1.20 0.00 0.00 0.00 178.15 176.06 3mle n SER 187 N -3.94 1.59 -0.32 1.72 7.64 -0.65 -4.78 113.62 114.88 3mle n SER 187 Ca -0.31 0.06 0.16 0.00 1.01 0.00 0.00 58.87 59.79 3mle n SER 187 Cb 0.88 -0.24 0.35 0.00 -1.01 0.00 0.00 64.21 64.19 3mle n SER 187 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3mle h LEU 188 N -0.23 0.42 -0.29 -3.43 5.85 -1.46 -1.18 115.31 115.00 3mle h LEU 188 Ca -0.24 0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.70 3mle h LEU 188 Cb 1.26 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.35 3mle h LEU 188 CO -0.11 -0.01 -0.12 -0.65 -0.34 0.00 0.00 178.44 177.21 3mle h PRO 189 N 0.42 -0.06 -0.46 5.25 0.11 -1.85 -0.23 132.00 135.17 3mle h PRO 189 Ca 0.61 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.68 3mle h PRO 189 Cb 1.21 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3mle h PRO 189 CO -0.54 -0.04 0.11 -0.92 -0.21 0.00 0.00 178.00 176.40 3mle h TYR 190 N -0.07 0.71 -0.44 0.65 3.20 -1.54 -1.58 116.97 117.91 3mle h TYR 190 Ca 0.15 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.97 3mle h TYR 190 Cb 0.29 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 3mle h TYR 190 CO -0.31 0.61 0.29 0.82 -1.64 0.00 0.00 178.16 177.92 3mle h ILE 191 N 0.68 1.11 -0.43 1.81 1.08 -1.18 0.17 117.51 120.74 3mle h ILE 191 Ca 0.15 -0.20 0.03 0.00 -0.39 0.00 0.00 64.86 64.45 3mle h ILE 191 Cb 0.26 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 34.44 3mle h ILE 191 CO -0.00 0.11 0.22 -0.33 -0.69 0.00 0.00 178.15 177.45 3mle h GLU 192 N 0.59 0.43 -0.34 2.37 5.08 -0.49 0.57 114.58 122.78 3mle h GLU 192 Ca 0.16 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3mle h GLU 192 Cb -0.06 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3mle h GLU 192 CO -0.04 0.28 0.05 -0.07 -1.00 0.00 0.00 179.01 178.23 3mle h LEU 193 N 0.44 0.55 -0.63 1.33 3.38 -1.08 -2.03 115.31 117.27 3mle h LEU 193 Ca 0.18 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 57.99 3mle h LEU 193 Cb 0.08 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 3mle h LEU 193 CO -0.12 0.68 0.21 0.15 0.09 0.00 0.00 178.44 179.45 3mle h PHE 194 N 0.40 0.37 -0.22 1.13 3.57 -0.39 -2.61 116.94 119.19 3mle h PHE 194 Ca 0.10 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 3mle h PHE 194 Cb 0.37 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3mle h PHE 194 CO 0.03 0.06 -0.14 -0.91 -2.23 0.00 0.00 178.31 175.11 3mle h ASN 195 N 0.38 0.36 0.56 0.41 2.35 -0.49 -1.83 115.58 117.31 3mle h ASN 195 Ca 0.33 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3mle h ASN 195 Cb 0.44 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3mle h ASN 195 CO -0.35 0.53 -0.01 0.71 -1.65 0.00 0.00 177.43 176.66 3mle h THR 196 N 0.35 0.06 -0.06 2.81 1.35 -0.97 -3.07 112.91 113.37 3mle h THR 196 Ca 0.07 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3mle h THR 196 Cb 0.47 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 3mle h THR 196 CO 0.03 0.01 0.00 0.54 -0.25 0.00 0.00 175.52 175.85 3mle n ARG 197 N -3.14 0.66 -5.15 4.72 1.74 -0.80 -5.01 116.66 109.67 3mle n ARG 197 Ca -0.01 -1.14 -0.31 0.00 -0.77 0.00 0.00 57.85 55.61 3mle n ARG 197 Cb 0.21 -1.15 -0.15 0.00 -1.02 0.00 0.00 32.46 30.35 3mle n ARG 197 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3mle s SER 198 N -0.70 3.34 0.00 0.55 0.15 -0.75 -5.00 113.70 111.28 3mle s SER 198 Ca 0.10 -0.40 0.31 0.00 0.70 0.00 0.00 55.95 56.66 3mle s SER 198 Cb 0.07 -0.48 1.70 0.00 -1.71 0.00 0.00 66.02 65.59 3mle s SER 198 CO 0.10 0.32 2.12 -0.46 1.20 0.00 0.00 173.24 176.51 3mle n ASN 199 N 2.33 0.21 -3.27 5.45 0.23 -1.26 -4.21 115.26 114.74 3mle n ASN 199 Ca -0.16 -0.89 -0.25 0.00 -0.53 0.00 0.00 54.58 52.74 3mle n ASN 199 Cb 0.51 -0.05 -0.07 0.00 -2.08 0.00 0.00 39.78 38.10 3mle n ASN 199 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3mle n ASN 200 N -0.91 2.51 -4.60 0.53 2.85 -1.26 -5.12 115.26 109.26 3mle n ASN 200 Ca 0.21 -3.21 -0.39 0.00 -0.11 0.00 0.00 54.58 51.08 3mle n ASN 200 Cb 0.17 -0.64 0.04 0.00 1.24 0.00 0.00 39.78 40.58 3mle n ASN 200 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3mle n PRO 201 N 0.84 1.06 -3.02 1.20 -0.04 -1.26 -4.86 135.00 128.92 3mle n PRO 201 Ca 0.27 0.40 -0.40 0.00 -0.04 0.00 0.00 63.50 63.72 3mle n PRO 201 Cb 0.46 -2.10 -0.05 0.00 -0.04 0.00 0.00 33.50 31.78 3mle n PRO 201 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3mle s ILE 202 N -1.45 4.99 0.42 0.52 1.01 -1.26 -4.55 121.20 120.88 3mle s ILE 202 Ca 0.70 1.42 0.08 0.00 0.00 0.00 0.00 60.65 62.85 3mle s ILE 202 Cb -0.47 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 37.95 3mle s ILE 202 CO 0.51 0.14 0.38 0.68 0.00 0.00 0.00 174.94 176.66 3mle s VAL 203 N 1.56 2.60 -0.29 2.92 -7.23 -0.76 -4.98 120.40 114.21 3mle s VAL 203 Ca 0.35 -1.35 -0.11 0.00 -1.81 0.00 0.00 61.98 59.06 3mle s VAL 203 Cb -0.17 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 3mle s VAL 203 CO 0.14 0.00 0.19 -0.63 -0.31 0.00 0.00 175.10 174.48 3mle s ILE 204 N -2.49 5.20 0.28 -0.62 -1.09 -1.26 -1.27 121.20 119.95 3mle s ILE 204 Ca 0.48 0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.97 3mle s ILE 204 Cb -0.03 -3.51 0.28 0.00 -1.58 0.00 0.00 42.46 37.62 3mle s ILE 204 CO 0.28 0.21 1.84 0.15 -1.23 0.00 0.00 174.94 176.18 3mle h PHE 205 N 8.38 1.13 0.00 3.97 3.57 -1.14 -1.44 116.94 131.40 3mle h PHE 205 Ca -0.35 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.19 3mle h PHE 205 Cb 1.18 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.57 3mle h PHE 205 CO 0.73 0.45 0.00 1.96 -2.23 0.00 0.00 178.31 179.23 3mle h GLN 206 N 0.99 0.00 -0.10 1.11 7.50 -1.91 -2.10 115.11 120.59 3mle h GLN 206 Ca 0.49 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.60 3mle h GLN 206 Cb 0.47 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.97 3mle h GLN 206 CO -0.26 0.00 -0.18 0.00 -1.50 0.00 0.00 178.83 176.89 3mle n GLN 207 N -2.35 1.72 -0.58 1.46 10.64 -0.58 -4.63 117.38 123.07 3mle n GLN 207 Ca 0.03 -2.98 0.03 0.00 -1.83 0.00 0.00 57.00 52.25 3mle n GLN 207 Cb 0.29 -1.65 0.04 0.00 -0.86 0.00 0.00 30.24 28.06 3mle n GLN 207 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3mle n SER 208 N -1.15 0.68 0.13 2.61 7.64 -0.79 -4.90 113.62 117.84 3mle n SER 208 Ca 0.21 -2.30 -0.13 0.00 1.01 0.00 0.00 58.87 57.66 3mle n SER 208 Cb 0.77 -0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 63.63 3mle n SER 208 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3mle h LEU 209 N 0.20 -0.54 0.02 -3.43 3.38 -1.82 0.21 115.31 113.33 3mle h LEU 209 Ca -0.04 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3mle h LEU 209 Cb 1.38 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.29 3mle h LEU 209 CO 0.02 -0.29 -0.18 0.50 0.09 0.00 0.00 178.44 178.57 3mle h LYS 210 N -0.42 -0.29 -0.81 1.13 3.64 -1.94 0.93 116.57 118.80 3mle h LYS 210 Ca 0.01 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 3mle h LYS 210 Cb 0.41 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 3mle h LYS 210 CO -0.07 -0.20 0.53 0.28 -2.27 0.00 0.00 179.45 177.73 3mle h VAL 211 N -0.31 1.04 0.03 2.00 2.07 -1.86 -1.65 116.25 117.56 3mle h VAL 211 Ca 0.05 -0.30 -0.22 0.00 0.82 0.00 0.00 66.70 67.05 3mle h VAL 211 Cb 0.37 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3mle h VAL 211 CO -0.16 0.16 -1.03 -0.07 0.02 0.00 0.00 177.57 176.50 3mle h LEU 212 N 0.88 0.10 -0.43 2.57 3.38 0.23 -2.19 115.31 119.85 3mle h LEU 212 Ca 0.35 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 3mle h LEU 212 Cb 0.25 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3mle h LEU 212 CO -0.13 1.06 0.11 -0.03 0.09 0.00 0.00 178.44 179.54 3mle h MET 213 N 0.02 0.68 -0.09 1.13 4.05 -0.27 -1.18 114.93 119.27 3mle h MET 213 Ca -0.04 -0.16 0.03 0.00 -0.28 0.00 0.00 59.70 59.25 3mle h MET 213 Cb 1.77 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 32.44 3mle h MET 213 CO 0.14 0.69 -0.13 0.77 0.23 0.00 0.00 176.91 178.61 3mle h SER 214 N 0.55 -0.40 -0.56 1.39 0.02 -1.27 -1.65 113.55 111.63 3mle h SER 214 Ca 0.13 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.22 3mle h SER 214 Cb 0.31 0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.99 3mle h SER 214 CO 0.00 -0.18 0.26 0.15 -1.14 0.00 0.00 176.83 175.92 3mle h PHE 215 N -0.18 0.47 -0.36 3.45 3.57 -1.28 0.23 116.94 122.83 3mle h PHE 215 Ca 0.08 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 3mle h PHE 215 Cb 0.29 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3mle h PHE 215 CO -0.23 0.20 -0.01 0.00 -2.23 0.00 0.00 178.31 176.03 3mle h ALA 216 N 1.33 1.31 0.00 2.41 0.00 -0.96 -3.14 119.26 120.20 3mle h ALA 216 Ca 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mle h ALA 216 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3mle h ALA 216 CO -0.21 0.47 -0.91 1.28 0.00 0.00 0.00 179.25 179.88 3mle n LEU 217 N -4.26 0.63 -4.66 0.00 4.77 -0.64 -4.66 117.00 108.18 3mle n LEU 217 Ca 0.02 -0.03 -0.35 0.00 -0.03 0.00 0.00 56.01 55.61 3mle n LEU 217 Cb 0.26 -0.12 0.09 0.00 -2.33 0.00 0.00 43.42 41.32 3mle n LEU 217 CO 0.40 0.06 0.67 1.17 -1.33 0.00 0.00 177.39 178.36 3mle n LYS 218 N -1.88 0.58 -0.63 3.23 4.81 0.75 -5.02 118.16 120.01 3mle n LYS 218 Ca 0.03 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 3mle n LYS 218 Cb 0.41 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 33.12 3mle n LYS 218 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98