#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 0.92 0.77 3.97 0.74 -1.26 -4.57 119.66 120.23 3mle s GLN -2 Ca 0.00 -0.14 -0.08 0.00 0.05 0.00 0.00 55.36 55.19 3mle s GLN -2 Cb 0.00 -0.90 0.10 0.00 1.10 0.00 0.00 33.01 33.32 3mle s GLN -2 CO 0.00 -0.07 1.09 0.20 -0.55 0.00 0.00 175.29 175.96 3mle s GLY -1 N 0.89 1.71 0.19 2.59 0.00 0.96 -4.97 107.32 108.69 3mle s GLY -1 Ca -0.11 -1.09 0.03 0.00 0.00 0.00 0.00 44.72 43.55 3mle s GLY -1 CO 0.00 -0.57 0.31 0.30 0.00 0.00 0.00 173.10 173.14 3mle s HIS 0 N -3.40 3.47 -0.10 1.90 0.09 -0.74 -4.89 115.29 111.62 3mle s HIS 0 Ca 0.64 0.06 0.02 0.00 -0.00 0.00 0.00 55.06 55.78 3mle s HIS 0 Cb -0.08 -1.63 0.01 0.00 -0.00 0.00 0.00 32.58 30.88 3mle s HIS 0 CO 0.47 0.49 -0.15 1.41 -0.00 0.00 0.00 174.74 176.95 3mle s MET 1 N -3.53 2.17 -0.24 1.40 0.00 -1.26 -0.36 119.30 117.48 3mle s MET 1 Ca 0.34 -0.55 -0.02 0.00 0.00 0.00 0.00 55.69 55.47 3mle s MET 1 Cb -0.10 -1.82 0.02 0.00 0.00 0.00 0.00 34.83 32.93 3mle s MET 1 CO 0.29 -0.03 -0.07 -1.17 0.00 0.00 0.00 175.02 174.03 3mle s LEU 2 N 0.89 3.07 0.08 4.11 2.96 -0.27 -1.88 118.68 127.65 3mle s LEU 2 Ca -0.09 -0.81 -0.22 0.00 -0.22 0.00 0.00 54.13 52.79 3mle s LEU 2 Cb -0.15 -1.65 -0.07 0.00 0.50 0.00 0.00 46.19 44.82 3mle s LEU 2 CO 0.00 -0.11 0.67 0.12 -1.32 0.00 0.00 176.35 175.72 3mle s PHE 3 N 1.33 3.81 -0.18 5.38 5.36 0.24 -0.53 117.98 133.39 3mle s PHE 3 Ca 0.01 1.41 0.01 0.00 -0.96 0.00 0.00 56.93 57.40 3mle s PHE 3 Cb -0.16 -2.65 0.02 0.00 -0.34 0.00 0.00 43.02 39.89 3mle s PHE 3 CO -0.05 0.47 -0.20 0.42 -1.46 0.00 0.00 175.22 174.40 3mle s ILE 4 N -0.79 2.07 0.19 3.12 1.01 0.71 -0.21 121.20 127.31 3mle s ILE 4 Ca 0.33 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 60.06 3mle s ILE 4 Cb -0.21 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 3mle s ILE 4 CO 0.22 0.54 0.06 -0.24 0.00 0.00 0.00 174.94 175.52 3mle n SER 5 N 4.61 1.23 -3.97 3.58 2.88 -0.22 -1.16 113.62 120.58 3mle n SER 5 Ca -0.21 -2.00 -0.10 0.00 -1.33 0.00 0.00 58.87 55.23 3mle n SER 5 Cb 0.50 0.44 -0.06 0.00 -0.75 0.00 0.00 64.21 64.35 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 -2.50 -0.05 0.28 -1.46 0.00 -1.25 0.01 121.76 116.80 3mle s ALA 6 Ca 0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 3mle s ALA 6 Cb 0.00 1.10 0.39 0.00 0.00 0.00 0.00 23.12 24.61 3mle s ALA 6 CO 0.06 -0.83 1.93 1.79 0.00 0.00 0.00 175.76 178.72 3mle h THR 7 N 2.28 1.23 -2.13 0.00 1.35 -0.86 -3.37 112.91 111.41 3mle h THR 7 Ca -0.27 -0.48 -0.01 0.00 -0.55 0.00 0.00 66.41 65.10 3mle h THR 7 Cb 1.25 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3mle h THR 7 CO 0.37 0.23 0.03 -3.20 -0.25 0.00 0.00 175.52 172.71 3mle n ASN 8 N -4.38 -0.27 -4.73 5.36 2.85 -1.26 -4.78 115.26 108.05 3mle n ASN 8 Ca 0.09 -1.19 -0.33 0.00 -0.11 0.00 0.00 54.58 53.04 3mle n ASN 8 Cb 0.06 0.44 0.09 0.00 1.24 0.00 0.00 39.78 41.61 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 -2.86 2.69 -1.44 -0.44 -1.32 -1.26 -3.71 115.64 107.30 3mle s THR 9 Ca 0.02 0.30 -0.03 0.00 -1.21 0.00 0.00 61.69 60.77 3mle s THR 9 Cb -0.01 -2.75 0.00 0.00 -1.51 0.00 0.00 72.50 68.23 3mle s THR 9 CO 0.02 -0.22 0.34 -3.20 -2.21 0.00 0.00 174.62 169.34 3mle n ASN 10 N -2.98 -5.48 -0.03 8.08 5.15 -1.26 -4.90 115.26 113.83 3mle n ASN 10 Ca 0.12 -0.17 0.05 0.00 -0.60 0.00 0.00 54.58 53.98 3mle n ASN 10 Cb 0.51 -4.40 -0.16 0.00 -0.53 0.00 0.00 39.78 35.21 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 -2.81 2.41 0.00 5.20 0.00 -1.24 -4.99 120.51 119.07 3mle n ALA 11 Ca -0.14 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.58 3mle n ALA 11 Cb 0.63 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 1.47 0.77 0.40 0.00 0.00 -1.26 -4.33 105.19 102.23 3mle n GLY 12 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.17 1.61 1.57 -1.91 -0.36 116.57 116.94 3mle h LYS 13 Ca 0.00 0.02 -0.01 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 0.08 1.15 -0.57 0.00 0.00 179.45 179.86 3mle h THR 14 N -0.38 1.14 -0.13 -0.16 2.02 -1.97 0.19 112.91 113.62 3mle h THR 14 Ca 0.11 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 66.91 3mle h THR 14 Cb 0.60 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 3mle h THR 14 CO -0.54 0.13 0.03 0.74 0.37 0.00 0.00 175.52 176.25 3mle h THR 15 N 0.14 0.95 -0.57 3.16 2.02 -1.95 -1.72 112.91 114.94 3mle h THR 15 Ca 0.06 -0.03 -0.08 0.00 0.77 0.00 0.00 66.41 67.13 3mle h THR 15 Cb 0.13 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3mle h THR 15 CO -0.01 0.02 0.06 0.00 0.37 0.00 0.00 175.52 175.96 3mle h ALA 17 N 0.99 0.34 -0.25 0.00 0.00 -0.43 -0.11 119.26 119.80 3mle h ALA 17 Ca 0.17 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3mle h ALA 17 Cb 0.46 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3mle h ALA 17 CO 0.02 -0.41 0.10 0.00 0.00 0.00 0.00 179.25 178.96 3mle h ARG 18 N 0.08 0.38 -0.88 0.00 3.08 -1.01 0.05 114.38 116.07 3mle h ARG 18 Ca 0.19 -0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.27 3mle h ARG 18 Cb 0.28 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 3mle h ARG 18 CO -0.34 0.42 0.52 -0.07 -1.07 0.00 0.00 179.97 179.44 3mle h LEU 19 N 0.25 0.77 -0.14 3.04 3.38 -0.59 0.14 115.31 122.16 3mle h LEU 19 Ca 0.08 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3mle h LEU 19 Cb 0.19 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3mle h LEU 19 CO -0.01 0.44 -0.13 0.25 0.09 0.00 0.00 178.44 179.09 3mle h LEU 20 N 0.88 0.35 -0.59 1.67 5.85 -0.73 -2.08 115.31 120.66 3mle h LEU 20 Ca 0.42 -0.47 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3mle h LEU 20 Cb 0.36 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3mle h LEU 20 CO -0.24 0.75 0.38 0.00 -0.34 0.00 0.00 178.44 178.99 3mle h ALA 21 N 0.61 0.76 -0.41 1.25 0.00 -0.65 -0.43 119.26 120.39 3mle h ALA 21 Ca 0.02 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3mle h ALA 21 Cb 0.65 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3mle h ALA 21 CO 0.03 0.14 0.07 0.37 0.00 0.00 0.00 179.25 179.86 3mle h GLN 22 N 0.76 0.18 -0.01 0.00 4.15 -0.68 0.79 115.11 120.31 3mle h GLN 22 Ca 0.23 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 3mle h GLN 22 Cb -0.03 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 3mle h GLN 22 CO -0.08 0.12 0.00 -0.92 -1.93 0.00 0.00 178.83 176.03 3mle h TYR 23 N 0.19 0.01 -0.02 3.99 3.20 -0.94 -1.71 116.97 121.69 3mle h TYR 23 Ca 0.20 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.10 3mle h TYR 23 Cb 0.25 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 3mle h TYR 23 CO -0.21 0.23 -0.17 0.00 -1.64 0.00 0.00 178.16 176.36 3mle h ASN 25 N -0.27 0.72 -0.17 0.00 2.35 -0.68 0.37 115.58 117.90 3mle h ASN 25 Ca 0.06 -0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 3mle h ASN 25 Cb 0.35 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3mle h ASN 25 CO -0.18 0.58 -0.06 0.00 -1.65 0.00 0.00 177.43 176.12 3mle h ALA 26 N 1.54 1.34 -0.06 -0.83 0.00 -0.88 -2.19 119.26 118.18 3mle h ALA 26 Ca 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mle h ALA 26 Cb 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3mle h ALA 26 CO -0.03 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3mle n GLY 28 N 0.79 0.47 3.42 0.00 0.00 -0.82 -5.00 105.19 104.05 3mle n GLY 28 Ca 0.10 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 4.80 -0.39 1.61 1.01 -0.00 -4.99 120.40 120.44 3mle s VAL 29 Ca 0.00 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 3mle s VAL 29 Cb 0.00 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 3mle s VAL 29 CO 0.00 -0.97 2.00 -0.75 0.00 0.00 0.00 175.10 175.38 3mle s LYS 30 N 2.80 2.93 -0.13 2.72 2.20 -1.26 -2.82 119.74 126.18 3mle s LYS 30 Ca 0.15 1.37 0.00 0.00 -0.36 0.00 0.00 55.97 57.14 3mle s LYS 30 Cb -0.20 -4.34 0.02 0.00 -1.51 0.00 0.00 37.83 31.80 3mle s LYS 30 CO 0.10 -2.34 -0.12 0.99 -0.36 0.00 0.00 175.35 173.62 3mle s THR 31 N 8.55 1.40 0.07 3.43 2.01 -1.26 -1.03 115.64 128.82 3mle s THR 31 Ca 0.84 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 62.32 3mle s THR 31 Cb -0.22 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 3mle s THR 31 CO 0.30 0.43 0.19 -0.51 -0.69 0.00 0.00 174.62 174.34 3mle s ILE 32 N 1.45 5.22 -0.16 1.82 2.07 -0.81 -4.92 121.20 125.89 3mle s ILE 32 Ca 0.03 -0.49 0.00 0.00 -1.41 0.00 0.00 60.65 58.78 3mle s ILE 32 Cb -0.13 -3.56 -0.00 0.00 0.13 0.00 0.00 42.46 38.90 3mle s ILE 32 CO -0.08 0.11 -0.15 -0.76 -1.91 0.00 0.00 174.94 172.15 3mle s LEU 33 N -2.57 2.49 -0.04 8.50 1.43 -1.26 -1.47 118.68 125.76 3mle s LEU 33 Ca 0.34 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 3mle s LEU 33 Cb -0.13 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3mle s LEU 33 CO 0.27 0.08 -0.19 -0.76 0.23 0.00 0.00 176.35 175.98 3mle s LEU 34 N 0.84 1.98 -0.66 1.79 1.43 0.68 -4.81 118.68 119.92 3mle s LEU 34 Ca -0.05 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 3mle s LEU 34 Cb -0.15 -1.04 0.18 0.00 0.03 0.00 0.00 46.19 45.21 3mle s LEU 34 CO -0.01 0.19 0.49 1.17 0.23 0.00 0.00 176.35 178.43 3mle n LYS 35 N 2.94 1.64 -0.30 1.70 3.00 -0.75 -0.28 118.16 126.12 3mle n LYS 35 Ca -0.17 -4.31 -0.05 0.00 -0.00 0.00 0.00 58.31 53.78 3mle n LYS 35 Cb 0.53 -2.19 0.07 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 5.33 1.18 -5.15 1.64 0.13 -1.73 -3.37 132.00 130.03 3mle h PRO 36 Ca 0.17 -0.19 -0.64 0.00 -0.87 0.00 0.00 66.00 64.47 3mle h PRO 36 Cb 0.77 -0.21 -0.33 0.00 0.13 0.00 0.00 31.00 31.36 3mle h PRO 36 CO 0.68 0.92 -0.86 0.42 -0.23 0.00 0.00 178.00 178.93 3mle s ILE 37 N -5.65 1.86 -0.04 -3.56 1.01 -1.26 -1.14 121.20 112.41 3mle s ILE 37 Ca -0.13 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 3mle s ILE 37 Cb 0.16 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 41.02 3mle s ILE 37 CO 0.83 0.51 0.11 -0.70 0.00 0.00 0.00 174.94 175.70 3mle s GLU 38 N 0.45 0.14 0.32 2.79 2.12 0.06 -4.57 118.70 120.01 3mle s GLU 38 Ca -0.17 0.14 0.04 0.00 0.36 0.00 0.00 54.97 55.34 3mle s GLU 38 Cb -0.17 0.07 -0.06 0.00 0.26 0.00 0.00 34.13 34.22 3mle s GLU 38 CO 0.07 -0.02 0.04 0.95 -0.54 0.00 0.00 175.26 175.77 3mle s THR 39 N 0.02 1.28 -0.85 -1.70 -4.23 -1.26 -1.89 115.64 107.01 3mle s THR 39 Ca -0.00 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 3mle s THR 39 Cb -0.01 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.06 3mle s THR 39 CO 0.00 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 3mle n GLY 40 N -0.69 0.56 3.54 3.99 0.00 -0.34 -4.90 105.19 107.35 3mle n GLY 40 Ca -0.03 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.38 3.21 -0.32 1.61 -7.23 -0.18 -4.90 120.40 110.21 3mle s VAL 41 Ca 0.00 -1.22 -0.01 0.00 -1.81 0.00 0.00 61.98 58.93 3mle s VAL 41 Cb 0.00 -2.46 0.11 0.00 0.56 0.00 0.00 36.38 34.59 3mle s VAL 41 CO 0.00 0.19 0.12 0.21 -0.31 0.00 0.00 175.10 175.32 3mle s ASN 42 N -1.94 3.79 0.46 4.85 3.84 -1.26 -3.26 114.94 121.42 3mle s ASN 42 Ca 0.19 -1.64 0.29 0.00 0.21 0.00 0.00 52.86 51.91 3mle s ASN 42 Cb -0.11 -0.69 0.98 0.00 -0.55 0.00 0.00 41.25 40.88 3mle s ASN 42 CO 0.11 -0.41 1.83 0.44 -2.79 0.00 0.00 177.10 176.28 3mle h ASP 43 N 8.02 0.00 0.31 -4.21 3.32 -1.99 -0.23 116.42 121.64 3mle h ASP 43 Ca -0.13 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.80 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 0.45 0.00 -0.48 0.00 -1.72 0.00 0.00 179.24 177.49 3mle h ALA 44 N 2.07 1.03 0.00 3.45 0.00 -2.06 -3.38 119.26 120.37 3mle h ALA 44 Ca 0.00 -0.46 -0.33 0.00 0.00 0.00 0.00 54.91 54.12 3mle h ALA 44 Cb 0.66 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3mle h ALA 44 CO 0.00 0.64 -2.18 -0.89 0.00 0.00 0.00 179.25 176.82 3mle n ILE 45 N -3.96 1.17 -5.07 0.00 2.08 -0.96 -5.01 119.36 107.61 3mle n ILE 45 Ca -0.02 -0.37 -0.32 0.00 0.56 0.00 0.00 62.75 62.60 3mle n ILE 45 Cb 0.53 -1.51 -0.16 0.00 -0.75 0.00 0.00 39.64 37.74 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 -6.46 3.25 -0.34 4.38 2.47 -0.14 -5.02 114.94 113.08 3mle s ASN 46 Ca -0.29 -0.53 0.07 0.00 0.42 0.00 0.00 52.86 52.53 3mle s ASN 46 Cb 0.09 -1.45 0.47 0.00 -1.45 0.00 0.00 41.25 38.91 3mle s ASN 46 CO 0.42 0.15 1.41 1.41 -3.72 0.00 0.00 177.10 176.77 3mle n HIS 47 N 3.60 2.01 -0.53 0.43 8.25 -1.26 -4.39 115.22 123.33 3mle n HIS 47 Ca -0.19 -2.08 0.04 0.00 -0.26 0.00 0.00 57.72 55.23 3mle n HIS 47 Cb 0.53 -0.55 0.05 0.00 1.12 0.00 0.00 29.99 31.14 3mle n HIS 47 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3mle n SER 48 N -0.92 1.98 -4.59 0.41 7.64 -1.26 -4.74 113.62 112.14 3mle n SER 48 Ca 0.41 -2.38 -0.29 0.00 1.01 0.00 0.00 58.87 57.61 3mle n SER 48 Cb 0.92 -0.18 0.21 0.00 -1.01 0.00 0.00 64.21 64.15 3mle n SER 48 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3mle s SER 49 N -1.69 2.01 0.21 6.43 1.04 -1.26 -4.72 113.70 115.71 3mle s SER 49 Ca 0.13 1.73 -0.09 0.00 0.48 0.00 0.00 55.95 58.19 3mle s SER 49 Cb 0.11 -2.37 0.26 0.00 0.10 0.00 0.00 66.02 64.12 3mle s SER 49 CO 0.01 -3.60 1.77 0.44 0.98 0.00 0.00 173.24 172.85 3mle h ASP 50 N -2.21 0.36 -0.94 7.02 3.32 -1.98 -1.34 116.42 120.66 3mle h ASP 50 Ca -0.54 0.06 0.02 0.00 0.02 0.00 0.00 57.03 56.60 3mle h ASP 50 Cb 1.30 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.80 3mle h ASP 50 CO 0.48 0.22 0.61 0.00 -1.72 0.00 0.00 179.24 178.84 3mle h ALA 51 N 1.38 1.22 -0.34 3.45 0.00 -1.90 -0.28 119.26 122.79 3mle h ALA 51 Ca 0.30 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3mle h ALA 51 Cb 0.30 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3mle h ALA 51 CO -0.25 0.53 0.12 0.45 0.00 0.00 0.00 179.25 180.10 3mle h HIS 52 N 1.22 0.54 -0.42 0.00 3.86 -1.68 0.14 115.15 118.81 3mle h HIS 52 Ca 0.36 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.50 3mle h HIS 52 Cb -0.06 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 3mle h HIS 52 CO -0.01 0.51 0.18 -0.07 0.86 0.00 0.00 177.93 179.40 3mle h LEU 53 N 0.40 0.57 -0.93 2.43 3.38 -0.84 -2.17 115.31 118.15 3mle h LEU 53 Ca 0.11 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3mle h LEU 53 Cb 0.21 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3mle h LEU 53 CO -0.01 0.57 0.61 -0.26 0.09 0.00 0.00 178.44 179.45 3mle h PHE 54 N 0.54 1.16 -0.37 1.13 -1.00 -0.90 -2.82 116.94 114.68 3mle h PHE 54 Ca 0.14 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.97 3mle h PHE 54 Cb 0.17 -0.39 -0.03 0.00 3.61 0.00 0.00 35.95 39.31 3mle h PHE 54 CO -0.00 0.72 0.21 1.25 -1.61 0.00 0.00 178.31 178.88 3mle h LEU 55 N 1.24 0.34 -1.28 1.54 5.85 -0.11 0.70 115.31 123.59 3mle h LEU 55 Ca 0.35 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 59.02 3mle h LEU 55 Cb -0.12 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3mle h LEU 55 CO -0.08 0.25 -0.27 1.56 -0.34 0.00 0.00 178.44 179.56 3mle h GLN 56 N 0.43 0.00 0.11 1.25 1.08 -1.34 -0.90 115.11 115.74 3mle h GLN 56 Ca 0.15 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.08 3mle h GLN 56 Cb 0.01 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.47 3mle h GLN 56 CO -0.07 0.27 -1.10 -0.44 -0.95 0.00 0.00 178.83 176.53 3mle h ASP 57 N 0.00 0.78 0.14 1.46 5.19 -1.15 -3.30 116.42 119.54 3mle h ASP 57 Ca -0.00 -0.83 -0.03 0.00 -0.62 0.00 0.00 57.03 55.54 3mle h ASP 57 Cb 0.68 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 3mle h ASP 57 CO 0.03 1.53 -0.15 0.78 -3.12 0.00 0.00 179.24 178.32 3mle h ASN 58 N 0.13 0.02 0.87 6.45 2.35 -0.49 -2.75 115.58 122.16 3mle h ASN 58 Ca -0.17 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3mle h ASN 58 Cb 1.80 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 40.16 3mle h ASN 58 CO 0.21 0.18 0.00 0.03 -1.65 0.00 0.00 177.43 176.20 3mle h ARG 59 N 0.03 0.00 0.00 0.81 3.08 -1.25 -0.94 114.38 116.11 3mle h ARG 59 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3mle h ARG 59 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 3mle h ARG 59 CO 0.02 0.00 -0.08 -0.07 -1.07 0.00 0.00 179.97 178.77 3mle h LEU 60 N 0.00 0.00 0.01 3.04 3.38 -1.63 -2.85 115.31 117.26 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 0.43 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 3mle h LEU 60 CO 0.00 0.08 -2.42 0.18 0.09 0.00 0.00 178.44 176.37 3mle n LEU 61 N -3.36 2.57 -3.45 1.67 4.77 -0.48 -4.89 117.00 113.83 3mle n LEU 61 Ca -0.01 0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 55.79 3mle n LEU 61 Cb 0.26 -0.90 -0.12 0.00 -2.33 0.00 0.00 43.42 40.33 3mle n LEU 61 CO 0.28 0.79 -0.26 -0.62 -1.33 0.00 0.00 177.39 176.24 3mle s ASP 62 N -6.90 2.53 0.53 -1.43 -1.08 -0.50 -5.02 116.67 104.80 3mle s ASP 62 Ca -0.35 -1.58 0.20 0.00 -0.52 0.00 0.00 52.55 50.30 3mle s ASP 62 Cb 0.11 -0.03 1.35 0.00 -1.46 0.00 0.00 42.92 42.89 3mle s ASP 62 CO 0.58 -0.35 2.09 -0.09 0.52 0.00 0.00 175.17 177.92 3mle h ARG 63 N 7.61 0.00 0.00 4.34 1.12 -1.76 -2.20 114.38 123.49 3mle h ARG 63 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 3mle h ARG 63 Cb 1.02 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.98 3mle h ARG 63 CO 0.31 0.00 0.00 -1.13 -3.11 0.00 0.00 179.97 176.04 3mle n SER 64 N -4.43 0.59 -4.75 -3.80 3.41 -1.26 -4.83 113.62 98.55 3mle n SER 64 Ca 0.02 0.66 -0.36 0.00 -0.26 0.00 0.00 58.87 58.93 3mle n SER 64 Cb 0.29 -0.78 0.03 0.00 -0.26 0.00 0.00 64.21 63.49 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 -4.35 3.70 0.18 1.04 1.43 -0.83 -5.04 118.68 114.80 3mle s LEU 65 Ca 0.03 2.44 0.03 0.00 -1.03 0.00 0.00 54.13 55.61 3mle s LEU 65 Cb 0.09 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.71 3mle s LEU 65 CO 0.35 -1.58 -0.03 0.42 0.23 0.00 0.00 176.35 175.73 3mle s THR 66 N -1.54 0.92 0.22 5.49 -4.23 -1.26 -5.00 115.64 110.24 3mle s THR 66 Ca 0.76 -2.02 -0.09 0.00 -1.18 0.00 0.00 61.69 59.17 3mle s THR 66 Cb -0.32 -2.07 0.17 0.00 1.34 0.00 0.00 72.50 71.62 3mle s THR 66 CO 0.35 -0.54 1.71 0.25 -0.54 0.00 0.00 174.62 175.85 3mle h LEU 67 N 2.67 0.07 -2.63 4.79 5.85 -1.95 0.30 115.31 124.42 3mle h LEU 67 Ca -0.37 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 3mle h LEU 67 Cb 1.20 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 3mle h LEU 67 CO 0.64 0.03 -0.01 0.11 -0.34 0.00 0.00 178.44 178.87 3mle h LYS 68 N 0.30 0.00 0.00 1.25 6.56 -1.98 -1.27 116.57 121.44 3mle h LYS 68 Ca 0.34 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.82 3mle h LYS 68 Cb 0.50 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.14 3mle h LYS 68 CO -0.40 0.01 -0.53 -0.44 -2.06 0.00 0.00 179.45 176.03 3mle h ASP 69 N 0.00 0.00 -0.00 0.86 3.32 -1.34 -3.37 116.42 115.89 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 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3mle h ASP 69 CO 0.00 0.53 -0.02 2.30 -1.72 0.00 0.00 179.24 180.33 3mle n ILE 70 N -3.35 0.00 -3.74 0.35 -5.35 -0.70 -5.00 119.36 101.58 3mle n ILE 70 Ca 0.01 -0.49 -0.13 0.00 -0.27 0.00 0.00 62.75 61.87 3mle n ILE 70 Cb 0.69 1.02 -0.13 0.00 -1.74 0.00 0.00 39.64 39.47 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 -0.41 -0.21 0.00 7.28 0.15 -0.56 -1.81 113.70 118.14 3mle s SER 71 Ca 0.01 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.11 3mle s SER 71 Cb 0.01 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 3mle s SER 71 CO 0.03 -0.15 0.00 0.49 1.20 0.00 0.00 173.24 174.80 3mle n PHE 72 N 4.14 0.00 -4.08 3.44 3.72 -0.42 -4.32 117.46 119.94 3mle n PHE 72 Ca -0.25 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.83 3mle n PHE 72 Cb 0.53 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.91 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 -1.99 2.93 -0.06 1.38 2.02 -0.29 -5.05 117.35 116.29 3mle s TYR 73 Ca 0.00 -1.93 0.01 0.00 -0.37 0.00 0.00 57.07 54.78 3mle s TYR 73 Cb 0.00 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.71 3mle s TYR 73 CO 0.00 -0.83 -0.05 1.03 -1.57 0.00 0.00 175.55 174.14 3mle s ARG 74 N 1.23 0.92 0.08 -0.62 0.52 -1.26 -0.76 118.95 119.05 3mle s ARG 74 Ca -0.02 -0.11 0.04 0.00 -0.52 0.00 0.00 55.73 55.13 3mle s ARG 74 Cb -0.16 -0.96 -0.03 0.00 0.52 0.00 0.00 34.95 34.31 3mle s ARG 74 CO -0.09 -0.12 -0.12 0.71 0.02 0.00 0.00 175.30 175.70 3mle s TYR 75 N 1.13 1.10 0.15 -0.53 2.02 -0.79 -5.02 117.35 115.40 3mle s TYR 75 Ca -0.08 -0.53 -0.08 0.00 -0.37 0.00 0.00 57.07 56.01 3mle s TYR 75 Cb -0.14 -0.61 -0.02 0.00 -0.40 0.00 0.00 41.96 40.79 3mle s TYR 75 CO -0.01 0.03 1.42 0.45 -1.57 0.00 0.00 175.55 175.87 3mle h HIS 76 N 4.04 0.91 -3.11 2.71 3.86 -1.89 -0.17 115.15 121.49 3mle h HIS 76 Ca -0.39 -0.35 -0.53 0.00 -1.16 0.00 0.00 60.37 57.95 3mle h HIS 76 Cb 1.19 -0.16 0.06 0.00 1.06 0.00 0.00 27.41 29.56 3mle h HIS 76 CO 0.64 1.14 0.84 0.21 0.86 0.00 0.00 177.93 181.62 3mle s LYS 77 N -3.95 4.22 -1.18 2.45 2.20 -1.26 -3.54 119.74 118.67 3mle s LYS 77 Ca -0.09 2.38 -0.16 0.00 -0.36 0.00 0.00 55.97 57.74 3mle s LYS 77 Cb 0.10 -3.11 0.14 0.00 -1.51 0.00 0.00 37.83 33.44 3mle s LYS 77 CO 0.87 -0.55 1.46 0.08 -0.36 0.00 0.00 175.35 176.86 3mle s VAL 78 N 0.53 4.72 0.35 4.02 1.01 -1.26 -1.19 120.40 128.58 3mle s VAL 78 Ca 0.65 -2.23 -0.17 0.00 0.00 0.00 0.00 61.98 60.23 3mle s VAL 78 Cb -0.44 -4.97 0.04 0.00 0.00 0.00 0.00 36.38 31.02 3mle s VAL 78 CO 0.38 -1.72 0.77 -0.94 0.00 0.00 0.00 175.10 173.60 3mle s SER 79 N 3.37 -0.08 0.46 3.32 1.04 -1.26 -4.96 113.70 115.59 3mle s SER 79 Ca 0.44 -0.97 -0.25 0.00 0.48 0.00 0.00 55.95 55.65 3mle s SER 79 Cb -0.01 0.81 -0.08 0.00 0.10 0.00 0.00 66.02 66.83 3mle s SER 79 CO 0.00 -1.58 1.32 0.00 0.98 0.00 0.00 173.24 173.97 3mle n ALA 80 N -0.51 1.53 -0.26 5.32 0.00 -1.26 -4.79 120.51 120.54 3mle n ALA 80 Ca -0.07 0.23 -0.00 0.00 0.00 0.00 0.00 53.44 53.59 3mle n ALA 80 Cb 0.60 -2.31 0.12 0.00 0.00 0.00 0.00 19.45 17.85 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 1.99 0.73 -0.73 0.00 0.11 -1.90 -2.01 132.00 130.19 3mle h PRO 81 Ca -0.49 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.67 3mle h PRO 81 Cb 1.29 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 3mle h PRO 81 CO 0.59 0.49 0.36 1.25 -0.21 0.00 0.00 178.00 180.48 3mle h LEU 82 N 0.76 0.46 -0.23 2.35 5.85 -1.54 0.47 115.31 123.43 3mle h LEU 82 Ca 0.33 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 59.07 3mle h LEU 82 Cb 0.21 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3mle h LEU 82 CO -0.19 0.25 -0.05 0.40 -0.34 0.00 0.00 178.44 178.51 3mle h ILE 83 N 0.60 1.28 0.17 4.05 1.08 -1.73 -1.86 117.51 121.10 3mle h ILE 83 Ca 0.37 -1.04 0.01 0.00 -0.39 0.00 0.00 64.86 63.80 3mle h ILE 83 Cb 0.41 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 35.62 3mle h ILE 83 CO -0.28 0.32 -0.24 0.00 -0.69 0.00 0.00 178.15 177.26 3mle h ALA 84 N 0.76 -0.44 0.02 1.87 0.00 -0.69 -2.68 119.26 118.10 3mle h ALA 84 Ca 0.06 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3mle h ALA 84 Cb 0.51 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3mle h ALA 84 CO 0.02 -0.79 -0.46 0.37 0.00 0.00 0.00 179.25 178.40 3mle h GLN 85 N -0.47 -0.60 -0.99 0.00 -0.00 -0.02 -0.28 115.11 112.75 3mle h GLN 85 Ca 0.02 0.04 0.16 0.00 -0.00 0.00 0.00 58.65 58.86 3mle h GLN 85 Cb 0.47 0.14 -0.09 0.00 0.00 0.00 0.00 27.48 27.99 3mle h GLN 85 CO -0.10 -0.40 0.62 1.96 0.00 0.00 0.00 178.83 180.90 3mle h GLN 86 N -0.62 0.82 0.15 1.69 4.20 -1.32 0.55 115.11 120.58 3mle h GLN 86 Ca 0.03 -0.05 -0.30 0.00 0.06 0.00 0.00 58.65 58.39 3mle h GLN 86 Cb 0.69 -0.19 0.03 0.00 0.30 0.00 0.00 27.48 28.31 3mle h GLN 86 CO -0.32 0.54 -1.28 1.49 -0.67 0.00 0.00 178.83 178.59 3mle h GLU 87 N 0.85 0.54 0.00 1.46 4.81 -1.18 -3.30 114.58 117.75 3mle h GLU 87 Ca 0.53 -0.78 -0.20 0.00 -0.13 0.00 0.00 59.36 58.78 3mle h GLU 87 Cb 0.71 0.27 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 3mle h GLU 87 CO -0.31 1.35 -2.14 0.39 -0.73 0.00 0.00 179.01 177.58 3mle n GLU 88 N -3.73 0.81 -3.07 1.92 1.02 -0.14 -4.70 120.64 112.74 3mle n GLU 88 Ca -0.13 -0.08 -0.16 0.00 -0.02 0.00 0.00 57.16 56.76 3mle n GLU 88 Cb 1.01 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.95 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 -2.49 -0.16 -0.05 1.62 2.03 0.19 -5.00 116.55 112.69 3mle n ASP 89 Ca -0.20 -3.14 0.14 0.00 0.52 0.00 0.00 54.79 52.12 3mle n ASP 89 Cb 0.87 0.07 0.56 0.00 -0.72 0.00 0.00 41.12 41.90 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 3.19 0.27 0.00 -0.67 0.11 -1.62 -1.47 132.00 131.81 3mle h PRO 90 Ca 0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3mle h PRO 90 Cb 0.99 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3mle h PRO 90 CO 0.40 0.18 0.00 0.09 -0.21 0.00 0.00 178.00 178.46 3mle n ASN 91 N -4.45 0.00 -3.37 -2.05 3.02 -1.26 -4.50 115.26 102.64 3mle n ASN 91 Ca 0.10 -0.55 -0.26 0.00 -0.03 0.00 0.00 54.58 53.83 3mle n ASN 91 Cb 0.44 -0.15 -0.09 0.00 -0.61 0.00 0.00 39.78 39.38 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 -1.15 2.91 -1.51 5.41 0.00 -0.55 -5.11 120.51 120.51 3mle n ALA 92 Ca 0.19 -3.60 -0.36 0.00 0.00 0.00 0.00 53.44 49.66 3mle n ALA 92 Cb 0.17 -0.83 0.08 0.00 0.00 0.00 0.00 19.45 18.88 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 1.91 0.76 -2.21 0.00 -0.02 -1.26 -4.89 135.00 129.29 3mle n PRO 93 Ca 0.25 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 3mle n PRO 93 Cb 0.48 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.64 3.30 -0.50 4.25 1.01 -1.26 -4.97 121.20 121.39 3mle s ILE 94 Ca 0.77 1.00 -0.12 0.00 0.00 0.00 0.00 60.65 62.30 3mle s ILE 94 Cb -0.36 -3.64 0.12 0.00 0.01 0.00 0.00 42.46 38.59 3mle s ILE 94 CO 0.46 0.11 0.41 -0.62 0.00 0.00 0.00 174.94 175.30 3mle s ASP 95 N 0.72 5.93 0.32 3.58 -1.08 -1.26 -4.89 116.67 120.00 3mle s ASP 95 Ca 0.60 -1.81 0.12 0.00 -0.52 0.00 0.00 52.55 50.95 3mle s ASP 95 Cb -0.36 -2.10 0.53 0.00 -1.46 0.00 0.00 42.92 39.53 3mle s ASP 95 CO 0.34 -0.75 1.70 0.71 0.52 0.00 0.00 175.17 177.69 3mle h THR 96 N 6.01 1.30 -0.04 1.71 1.35 -1.98 -0.93 112.91 120.33 3mle h THR 96 Ca -0.25 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 63.86 3mle h THR 96 Cb 1.09 1.95 -0.00 0.00 -1.73 0.00 0.00 68.15 69.46 3mle h THR 96 CO 0.93 0.49 0.03 0.44 -0.25 0.00 0.00 175.52 177.16 3mle h ASP 97 N 0.00 0.04 -0.03 5.36 5.19 -1.99 0.17 116.42 125.16 3mle h ASP 97 Ca -0.01 -0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.44 3mle h ASP 97 Cb 0.91 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 40.37 3mle h ASP 97 CO 0.07 0.03 -0.20 -1.13 -3.12 0.00 0.00 179.24 174.88 3mle h ASN 98 N 0.05 -0.60 -1.00 6.45 -1.24 -1.92 -2.03 115.58 115.30 3mle h ASN 98 Ca 0.02 0.09 0.07 0.00 0.71 0.00 0.00 56.30 57.19 3mle h ASN 98 Cb -0.01 0.26 -0.07 0.00 0.73 0.00 0.00 38.32 39.23 3mle h ASN 98 CO -0.00 -0.27 0.65 -0.07 -1.29 0.00 0.00 177.43 176.45 3mle h LEU 99 N -0.31 1.03 -0.40 0.34 3.38 -1.06 -2.36 115.31 115.93 3mle h LEU 99 Ca 0.07 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3mle h LEU 99 Cb 0.40 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3mle h LEU 99 CO -0.21 0.64 0.15 0.74 0.09 0.00 0.00 178.44 179.85 3mle h THR 100 N 1.16 1.21 0.02 0.22 2.02 -0.52 -1.30 112.91 115.72 3mle h THR 100 Ca 0.44 -0.66 0.02 0.00 0.77 0.00 0.00 66.41 66.99 3mle h THR 100 Cb 0.20 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 3mle h THR 100 CO -0.18 0.23 -0.20 1.56 0.37 0.00 0.00 175.52 177.30 3mle h GLN 101 N 0.51 -0.32 -0.81 6.66 4.20 -0.97 -1.46 115.11 122.92 3mle h GLN 101 Ca 0.13 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 3mle h GLN 101 Cb 0.22 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 3mle h GLN 101 CO -0.01 -0.21 0.50 0.00 -0.67 0.00 0.00 178.83 178.44 3mle h ARG 102 N -0.33 1.09 -0.04 1.46 3.08 -1.30 0.94 114.38 119.28 3mle h ARG 102 Ca 0.05 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3mle h ARG 102 Cb 0.39 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 3mle h ARG 102 CO -0.17 0.76 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.37 3mle h LEU 103 N 1.11 0.11 -1.28 3.04 3.38 -1.00 -3.16 115.31 117.51 3mle h LEU 103 Ca 0.29 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3mle h LEU 103 Cb -0.06 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3mle h LEU 103 CO -0.06 0.60 0.12 0.45 0.09 0.00 0.00 178.44 179.65 3mle h HIS 104 N -0.37 0.62 -0.95 1.13 3.86 -0.95 -1.21 115.15 117.29 3mle h HIS 104 Ca 0.01 -0.04 0.26 0.00 -1.16 0.00 0.00 60.37 59.44 3mle h HIS 104 Cb 0.58 -0.19 -0.14 0.00 1.06 0.00 0.00 27.41 28.72 3mle h HIS 104 CO 0.10 0.52 0.45 -0.91 0.86 0.00 0.00 177.93 178.95 3mle h ASN 105 N 0.60 0.37 0.36 2.45 2.35 -0.79 0.32 115.58 121.24 3mle h ASN 105 Ca 0.14 0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 3mle h ASN 105 Cb 0.20 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3mle h ASN 105 CO -0.01 -0.07 -0.20 -0.26 -1.65 0.00 0.00 177.43 175.24 3mle h PHE 106 N 0.35 0.00 0.00 1.19 0.04 -1.23 -2.47 116.94 114.82 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 -0.10 0.20 0.00 1.79 -0.60 0.00 0.00 178.31 179.60 3mle h THR 107 N 0.00 0.00 -0.20 -1.55 1.35 -0.40 0.26 112.91 112.37 3mle h THR 107 Ca -0.00 -0.25 -0.05 0.00 -0.55 0.00 0.00 66.41 65.55 3mle h THR 107 Cb 0.44 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 3mle h THR 107 CO 0.03 0.00 -0.11 0.11 -0.25 0.00 0.00 175.52 175.30 3mle h LYS 108 N 0.00 0.32 -0.00 4.72 6.56 -1.46 0.27 116.57 126.98 3mle h LYS 108 Ca 0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 3mle h LYS 108 Cb 0.26 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.88 3mle h LYS 108 CO 0.00 0.44 -0.03 0.25 -2.06 0.00 0.00 179.45 178.05 3mle n THR 109 N -4.26 0.00 -5.22 -0.16 -2.24 -0.72 -4.22 114.28 97.46 3mle n THR 109 Ca -0.00 -0.48 -0.31 0.00 -2.27 0.00 0.00 64.05 60.98 3mle n THR 109 Cb 0.27 1.00 -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 -0.86 2.43 0.32 4.78 2.02 0.00 -5.03 117.35 121.01 3mle s TYR 110 Ca 0.00 -0.48 0.02 0.00 -0.37 0.00 0.00 57.07 56.24 3mle s TYR 110 Cb 0.01 -1.56 0.58 0.00 -0.40 0.00 0.00 41.96 40.59 3mle s TYR 110 CO 0.03 -0.06 1.93 -0.44 -1.57 0.00 0.00 175.55 175.44 3mle h ASP 111 N 5.65 0.85 -3.46 2.29 3.32 -1.39 -3.26 116.42 120.42 3mle h ASP 111 Ca -0.40 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.40 3mle h ASP 111 Cb 1.14 -0.18 -0.32 0.00 0.22 0.00 0.00 39.33 40.19 3mle h ASP 111 CO 0.48 0.55 -0.62 -0.22 -1.72 0.00 0.00 179.24 177.71 3mle s LEU 112 N -9.91 0.81 -0.32 1.55 2.96 -0.57 -1.79 118.68 111.41 3mle s LEU 112 Ca -0.11 0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 54.03 3mle s LEU 112 Cb 0.19 0.30 0.06 0.00 0.50 0.00 0.00 46.19 47.24 3mle s LEU 112 CO 0.79 -0.14 0.05 -0.69 -1.32 0.00 0.00 176.35 175.03 3mle s VAL 113 N 1.11 3.17 -0.18 1.68 1.01 0.52 -1.92 120.40 125.79 3mle s VAL 113 Ca -0.09 -1.43 -0.18 0.00 0.00 0.00 0.00 61.98 60.28 3mle s VAL 113 Cb -0.11 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 3mle s VAL 113 CO -0.05 -0.20 0.50 -0.63 0.00 0.00 0.00 175.10 174.72 3mle s ILE 114 N 1.26 5.13 -0.28 2.22 1.01 -0.54 -1.11 121.20 128.88 3mle s ILE 114 Ca -0.03 0.94 -0.01 0.00 0.00 0.00 0.00 60.65 61.56 3mle s ILE 114 Cb -0.20 -3.83 0.05 0.00 0.01 0.00 0.00 42.46 38.49 3mle s ILE 114 CO -0.01 0.21 -0.03 -0.69 0.00 0.00 0.00 174.94 174.42 3mle s VAL 115 N 1.42 2.80 -0.09 2.92 1.01 0.31 -0.23 120.40 128.53 3mle s VAL 115 Ca 0.24 -1.38 -0.28 0.00 0.00 0.00 0.00 61.98 60.55 3mle s VAL 115 Cb -0.15 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 3mle s VAL 115 CO 0.10 -0.04 0.95 -0.70 0.00 0.00 0.00 175.10 175.40 3mle s GLU 116 N 1.23 4.44 0.00 2.72 2.12 0.62 -0.21 118.70 129.62 3mle s GLU 116 Ca -0.05 1.29 0.00 0.00 0.36 0.00 0.00 54.97 56.57 3mle s GLU 116 Cb -0.19 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.68 3mle s GLU 116 CO -0.02 -0.22 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 3mle n GLY 117 N 3.11 -1.94 3.00 -1.50 0.00 -0.31 -4.20 105.19 103.35 3mle n GLY 117 Ca 0.07 -1.46 -0.22 0.00 0.00 0.00 0.00 46.02 44.40 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 -3.20 0.99 0.00 4.61 0.00 -1.26 -4.93 121.76 117.98 3mle s ALA 118 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.63 3mle s ALA 118 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3mle s ALA 118 CO 0.00 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.29 3mle n GLY 119 N 3.55 2.83 0.00 0.00 0.00 -1.26 -4.82 105.19 105.49 3mle n GLY 119 Ca -0.21 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 1.41 0.22 -0.02 0.00 -1.26 -3.91 105.19 101.63 3mle n GLY 120 Ca 0.00 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.87 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 0.85 -1.43 0.99 3.38 -1.88 -3.23 115.31 113.99 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 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3mle h LEU 121 CO 0.00 1.28 0.00 0.00 0.09 0.00 0.00 178.44 179.81 3mle s VAL 123 N -1.63 2.98 0.15 0.00 1.01 -1.22 -4.78 120.40 116.92 3mle s VAL 123 Ca 0.32 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 3mle s VAL 123 Cb 0.17 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.31 3mle s VAL 123 CO 0.25 -0.01 0.93 -2.16 0.00 0.00 0.00 175.10 174.10 3mle s PRO 124 N 3.42 4.73 -0.23 2.72 0.04 -1.26 -1.47 135.00 142.95 3mle s PRO 124 Ca 0.80 1.42 -0.08 0.00 0.04 0.00 0.00 61.00 63.17 3mle s PRO 124 Cb -0.41 -3.34 -0.11 0.00 0.04 0.00 0.00 34.50 30.68 3mle s PRO 124 CO 0.36 0.35 -0.27 -0.89 0.04 0.00 0.00 177.00 176.58 3mle n ILE 125 N 2.27 1.26 -4.44 0.56 5.41 0.25 -2.43 119.36 122.25 3mle n ILE 125 Ca -0.00 -0.36 -0.21 0.00 1.00 0.00 0.00 62.75 63.18 3mle n ILE 125 Cb 0.48 -1.69 -0.10 0.00 -0.71 0.00 0.00 39.64 37.63 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 -2.43 0.87 0.38 1.39 -4.23 -0.37 -3.62 115.64 107.64 3mle s THR 126 Ca -0.32 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.38 3mle s THR 126 Cb 0.11 -2.63 0.38 0.00 1.34 0.00 0.00 72.50 71.70 3mle s THR 126 CO 0.43 0.00 1.72 -0.07 -0.54 0.00 0.00 174.62 176.16 3mle h LEU 127 N 2.09 0.46 0.00 4.79 3.38 -1.96 -2.60 115.31 121.47 3mle h LEU 127 Ca -0.39 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3mle h LEU 127 Cb 1.25 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3mle h LEU 127 CO 0.64 0.00 -1.33 -0.62 0.09 0.00 0.00 178.44 177.23 3mle n GLU 128 N -4.76 0.70 -4.05 1.13 -0.58 -1.26 -5.03 120.64 106.80 3mle n GLU 128 Ca 0.29 -0.08 -0.14 0.00 -0.42 0.00 0.00 57.16 56.81 3mle n GLU 128 Cb 0.97 -1.42 -0.14 0.00 -0.57 0.00 0.00 31.44 30.28 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 -3.03 0.31 0.52 3.49 2.02 -0.98 -5.09 118.70 115.94 3mle s GLU 129 Ca 0.01 -0.24 0.02 0.00 0.02 0.00 0.00 54.97 54.78 3mle s GLU 129 Cb 0.13 -0.24 0.00 0.00 0.10 0.00 0.00 34.13 34.12 3mle s GLU 129 CO 0.79 0.06 0.10 0.54 0.02 0.00 0.00 175.26 176.77 3mle s ASN 130 N -0.38 4.26 0.32 -0.19 2.20 -1.26 -0.58 114.94 119.30 3mle s ASN 130 Ca -0.01 -1.56 0.01 0.00 -0.94 0.00 0.00 52.86 50.35 3mle s ASN 130 Cb -0.03 0.51 0.55 0.00 -2.00 0.00 0.00 41.25 40.28 3mle s ASN 130 CO -0.00 -0.92 1.95 0.24 -2.94 0.00 0.00 177.10 175.43 3mle h MET 131 N 1.20 0.96 -0.39 3.55 2.86 -1.11 -0.92 114.93 121.08 3mle h MET 131 Ca -0.42 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.14 3mle h MET 131 Cb 1.31 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 3mle h MET 131 CO 0.70 0.64 0.16 1.25 1.06 0.00 0.00 176.91 180.72 3mle h LEU 132 N 0.99 0.54 -0.49 1.22 5.85 -1.45 -1.14 115.31 120.85 3mle h LEU 132 Ca 0.33 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.96 3mle h LEU 132 Cb 0.08 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 3mle h LEU 132 CO -0.10 0.56 0.15 0.44 -0.34 0.00 0.00 178.44 179.14 3mle h ASP 133 N 0.49 0.11 -0.04 1.25 3.32 -1.51 -1.28 116.42 118.76 3mle h ASP 133 Ca 0.13 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.27 3mle h ASP 133 Cb 0.19 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3mle h ASP 133 CO -0.01 0.09 -0.07 0.15 -1.72 0.00 0.00 179.24 177.68 3mle h PHE 134 N 0.30 -0.17 -0.90 4.55 3.57 -0.96 0.11 116.94 123.44 3mle h PHE 134 Ca 0.24 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.82 3mle h PHE 134 Cb 0.28 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 3mle h PHE 134 CO -0.18 -0.11 0.58 0.00 -2.23 0.00 0.00 178.31 176.37 3mle h ALA 135 N 0.93 1.56 -0.25 2.41 0.00 -0.69 -0.77 119.26 122.45 3mle h ALA 135 Ca 0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3mle h ALA 135 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3mle h ALA 135 CO -0.10 0.29 -0.18 -0.07 0.00 0.00 0.00 179.25 179.19 3mle h LEU 136 N 0.97 0.58 -1.09 0.00 3.38 -0.80 -2.52 115.31 115.83 3mle h LEU 136 Ca 0.40 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.98 3mle h LEU 136 Cb 0.28 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3mle h LEU 136 CO -0.16 0.90 0.62 0.50 0.09 0.00 0.00 178.44 180.39 3mle h LYS 137 N 0.27 1.09 0.00 1.13 3.64 -0.28 0.37 116.57 122.78 3mle h LYS 137 Ca 0.05 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3mle h LYS 137 Cb 0.71 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3mle h LYS 137 CO 0.05 0.72 0.00 1.28 -2.27 0.00 0.00 179.45 179.23 3mle n LEU 138 N -4.48 0.00 -2.89 5.20 4.77 -0.36 -4.87 117.00 114.38 3mle n LEU 138 Ca 0.14 0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 56.35 3mle n LEU 138 Cb 0.16 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3mle n LEU 138 CO 0.33 -0.19 -0.08 0.29 -1.33 0.00 0.00 177.39 176.41 3mle n LYS 139 N -1.39 -2.83 -2.39 3.23 5.02 0.12 -4.92 118.16 114.99 3mle n LYS 139 Ca 0.06 0.46 -0.27 0.00 -2.02 0.00 0.00 58.31 56.54 3mle n LYS 139 Cb 0.15 -5.10 0.02 0.00 -0.02 0.00 0.00 35.03 30.09 3mle n LYS 139 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mle s ALA 140 N -2.69 3.29 0.38 7.82 0.00 -0.97 -4.97 121.76 124.61 3mle s ALA 140 Ca 0.19 -0.60 -0.12 0.00 0.00 0.00 0.00 51.96 51.43 3mle s ALA 140 Cb -0.10 -2.65 -0.07 0.00 0.00 0.00 0.00 23.12 20.30 3mle s ALA 140 CO 0.23 -0.71 0.75 0.15 0.00 0.00 0.00 175.76 176.19 3mle s LYS 141 N -4.96 3.84 -0.15 0.00 1.02 -0.79 -4.70 119.74 114.00 3mle s LYS 141 Ca 0.53 0.51 -0.00 0.00 0.02 0.00 0.00 55.97 57.03 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 0.03 -0.13 1.41 -0.92 0.00 0.00 175.35 176.20 3mle s MET 142 N -3.58 3.33 -0.25 1.68 -2.45 -0.13 0.81 119.30 118.72 3mle s MET 142 Ca 0.52 -0.70 0.01 0.00 -1.25 0.00 0.00 55.69 54.27 3mle s MET 142 Cb -0.10 -2.67 0.04 0.00 1.25 0.00 0.00 34.83 33.35 3mle s MET 142 CO 0.27 0.11 -0.11 -1.17 1.05 0.00 0.00 175.02 175.17 3mle s LEU 143 N 0.62 3.18 -0.29 4.11 2.96 0.71 -1.64 118.68 128.32 3mle s LEU 143 Ca -0.07 -1.14 -0.10 0.00 -0.22 0.00 0.00 54.13 52.60 3mle s LEU 143 Cb -0.16 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 3mle s LEU 143 CO 0.03 -0.15 0.16 -0.22 -1.32 0.00 0.00 176.35 174.85 3mle s LEU 144 N 1.20 4.01 -0.02 -0.68 0.20 -0.55 -1.05 118.68 121.79 3mle s LEU 144 Ca -0.04 -0.30 -0.19 0.00 0.69 0.00 0.00 54.13 54.29 3mle s LEU 144 Cb -0.18 -2.04 -0.05 0.00 -0.43 0.00 0.00 46.19 43.49 3mle s LEU 144 CO -0.06 -0.13 0.53 -0.63 -0.29 0.00 0.00 176.35 175.77 3mle s ILE 145 N 1.67 4.97 0.08 6.68 -1.09 0.10 -0.90 121.20 132.71 3mle s ILE 145 Ca 0.06 1.10 0.08 0.00 -2.23 0.00 0.00 60.65 59.66 3mle s ILE 145 Cb -0.16 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 3mle s ILE 145 CO 0.08 0.45 -0.16 -0.55 -1.23 0.00 0.00 174.94 173.52 3mle s SER 146 N -0.31 3.97 0.96 3.58 0.15 0.84 -0.11 113.70 122.78 3mle s SER 146 Ca 0.28 -0.47 -0.12 0.00 0.70 0.00 0.00 55.95 56.34 3mle s SER 146 Cb -0.17 -0.64 0.17 0.00 -1.71 0.00 0.00 66.02 63.66 3mle s SER 146 CO 0.15 0.21 1.10 -1.38 1.20 0.00 0.00 173.24 174.53 3mle s HIS 147 N -1.07 2.26 -0.19 3.44 -3.43 -1.26 -0.08 115.29 114.96 3mle s HIS 147 Ca 0.17 0.98 0.16 0.00 -0.80 0.00 0.00 55.06 55.58 3mle s HIS 147 Cb -0.11 -3.28 0.51 0.00 -1.43 0.00 0.00 32.58 28.27 3mle s HIS 147 CO 0.09 -2.66 1.41 -0.40 -2.00 0.00 0.00 174.74 171.17 3mle n ASP 148 N -4.01 3.61 -4.95 7.38 5.75 -1.25 -4.63 116.55 118.44 3mle n ASP 148 Ca 0.06 -3.12 -0.19 0.00 -0.01 0.00 0.00 54.79 51.53 3mle n ASP 148 Cb 0.58 -0.55 -0.01 0.00 -1.03 0.00 0.00 41.12 40.11 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 -2.08 5.62 -0.09 -1.12 0.01 -1.26 -4.74 114.94 111.28 3mle s ASN 149 Ca 0.42 -0.39 -0.39 0.00 -0.71 0.00 0.00 52.86 51.78 3mle s ASN 149 Cb 0.35 -0.93 -0.18 0.00 0.41 0.00 0.00 41.25 40.90 3mle s ASN 149 CO 0.07 -0.54 1.41 -0.11 -1.51 0.00 0.00 177.10 176.42 3mle n LEU 150 N -1.63 1.41 0.00 0.60 7.94 -1.26 -1.20 117.00 122.85 3mle n LEU 150 Ca 0.02 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 3mle n LEU 150 Cb 0.59 -1.08 0.00 0.00 0.53 0.00 0.00 43.42 43.46 3mle n LEU 150 CO 0.41 -1.06 0.00 0.61 -1.11 0.00 0.00 177.39 176.24 3mle n GLY 151 N 2.87 0.55 0.27 -3.96 0.00 -1.26 -4.98 105.19 98.68 3mle n GLY 151 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.22 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 0.56 0.16 0.99 8.10 -1.47 -2.62 115.31 121.03 3mle h LEU 152 Ca 0.00 -0.14 0.01 0.00 0.11 0.00 0.00 57.88 57.87 3mle h LEU 152 Cb 0.00 -0.15 -0.03 0.00 -0.44 0.00 0.00 40.66 40.04 3mle h LEU 152 CO 0.00 0.68 -0.28 0.40 -4.11 0.00 0.00 178.44 175.14 3mle h ILE 153 N 0.55 0.40 -0.55 0.15 2.04 -1.94 0.44 117.51 118.60 3mle h ILE 153 Ca 0.11 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.02 3mle h ILE 153 Cb 0.46 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 3mle h ILE 153 CO 0.02 0.00 0.27 -1.13 0.00 0.00 0.00 178.15 177.31 3mle h ASN 154 N -0.52 0.37 -0.38 1.72 -1.24 -1.96 -0.65 115.58 112.92 3mle h ASN 154 Ca 0.02 0.04 -0.06 0.00 0.71 0.00 0.00 56.30 57.01 3mle h ASN 154 Cb 0.52 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 3mle h ASN 154 CO -0.13 0.24 0.00 0.44 -1.29 0.00 0.00 177.43 176.70 3mle h ASP 155 N 0.51 0.65 -0.00 1.15 3.32 -1.14 -0.66 116.42 120.25 3mle h ASP 155 Ca 0.25 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3mle h ASP 155 Cb 0.19 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3mle h ASP 155 CO -0.19 0.80 -0.02 0.00 -1.72 0.00 0.00 179.24 178.11 3mle h LEU 157 N -0.04 0.79 -0.39 0.00 3.38 -1.02 0.35 115.31 118.38 3mle h LEU 157 Ca 0.01 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.74 3mle h LEU 157 Cb 0.05 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3mle h LEU 157 CO -0.02 1.01 0.09 -0.07 0.09 0.00 0.00 178.44 179.54 3mle h LEU 158 N 0.66 0.03 -0.53 1.67 3.38 -1.11 0.54 115.31 119.95 3mle h LEU 158 Ca 0.08 0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 3mle h LEU 158 Cb 0.79 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3mle h LEU 158 CO 0.06 0.05 -0.41 0.78 0.09 0.00 0.00 178.44 179.02 3mle h ASN 159 N 0.22 0.78 -0.56 -0.43 2.35 -1.01 -2.20 115.58 114.73 3mle h ASN 159 Ca 0.19 -0.36 0.05 0.00 -0.55 0.00 0.00 56.30 55.62 3mle h ASN 159 Cb 0.22 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 3mle h ASN 159 CO -0.24 1.09 0.30 -0.78 -1.65 0.00 0.00 177.43 176.15 3mle h ASP 160 N 0.59 0.44 -0.50 5.81 3.58 0.03 -0.10 116.42 126.26 3mle h ASP 160 Ca 0.05 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 3mle h ASP 160 Cb 0.96 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.93 3mle h ASP 160 CO 0.09 0.30 0.31 0.15 -2.88 0.00 0.00 179.24 177.21 3mle h PHE 161 N 0.57 0.66 -0.21 0.28 3.57 -0.59 -0.17 116.94 121.05 3mle h PHE 161 Ca 0.24 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 3mle h PHE 161 Cb 0.13 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3mle h PHE 161 CO -0.09 0.45 -0.01 1.25 -2.23 0.00 0.00 178.31 177.68 3mle h LEU 162 N 0.68 0.36 0.02 0.59 5.85 -1.07 -2.99 115.31 118.75 3mle h LEU 162 Ca 0.18 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3mle h LEU 162 Cb -0.03 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3mle h LEU 162 CO -0.04 0.59 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.58 3mle h LEU 163 N 0.13 -0.02 -2.84 2.25 3.38 -0.79 -2.74 115.31 114.67 3mle h LEU 163 Ca 0.06 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3mle h LEU 163 Cb 0.41 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3mle h LEU 163 CO 0.01 0.21 0.01 0.07 0.09 0.00 0.00 178.44 178.83 3mle h LYS 164 N -0.26 0.00 0.00 1.13 2.10 -1.12 1.00 116.57 119.42 3mle h LYS 164 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3mle h LYS 164 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 3mle h LYS 164 CO 0.00 0.00 0.00 0.43 -2.00 0.00 0.00 179.45 177.88 3mle n SER 165 N -3.28 0.00 -4.20 7.07 7.64 -1.04 -4.88 113.62 114.93 3mle n SER 165 Ca -0.03 -0.98 -0.15 0.00 1.01 0.00 0.00 58.87 58.72 3mle n SER 165 Cb 0.08 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.17 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 1.15 -1.30 1.43 3.76 0.34 -5.07 115.29 113.60 3mle s HIS 166 Ca 0.36 -0.67 -0.16 0.00 -0.15 0.00 0.00 55.06 54.45 3mle s HIS 166 Cb 0.17 -0.61 0.10 0.00 1.11 0.00 0.00 32.58 33.34 3mle s HIS 166 CO 0.28 0.03 1.74 0.00 -0.85 0.00 0.00 174.74 175.94 3mle n GLN 167 N 0.39 3.23 -3.63 1.40 0.00 -1.26 -4.88 117.38 112.63 3mle n GLN 167 Ca -0.15 -3.36 -0.10 0.00 0.00 0.00 0.00 57.00 53.39 3mle n GLN 167 Cb 0.58 -3.31 -0.05 0.00 0.00 0.00 0.00 30.24 27.47 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 2.91 0.39 -0.14 2.61 2.34 -1.26 -5.06 118.68 120.46 3mle s LEU 168 Ca 0.49 -0.32 -0.20 0.00 0.06 0.00 0.00 54.13 54.16 3mle s LEU 168 Cb 0.04 1.85 -0.03 0.00 -0.56 0.00 0.00 46.19 47.49 3mle s LEU 168 CO 0.03 -0.86 0.57 -1.81 -1.06 0.00 0.00 176.35 173.22 3mle s ASP 169 N -2.81 6.73 0.12 1.48 1.11 -1.26 -4.97 116.67 117.06 3mle s ASP 169 Ca 0.03 0.87 -0.03 0.00 0.18 0.00 0.00 52.55 53.60 3mle s ASP 169 Cb 0.02 -2.33 -0.03 0.00 1.07 0.00 0.00 42.92 41.65 3mle s ASP 169 CO -0.12 -0.13 0.09 -0.72 1.18 0.00 0.00 175.17 175.48 3mle s TYR 170 N 1.18 0.64 -0.14 4.23 -0.85 -1.26 -0.95 117.35 120.19 3mle s TYR 170 Ca 0.29 -1.05 -0.09 0.00 -0.52 0.00 0.00 57.07 55.69 3mle s TYR 170 Cb -0.16 -0.34 0.05 0.00 0.38 0.00 0.00 41.96 41.89 3mle s TYR 170 CO 0.12 -0.53 0.36 0.21 -1.52 0.00 0.00 175.55 174.18 3mle s LYS 171 N -3.99 0.35 -0.22 -3.49 2.47 -0.65 -4.97 119.74 109.23 3mle s LYS 171 Ca 0.18 0.65 -0.11 0.00 -1.56 0.00 0.00 55.97 55.12 3mle s LYS 171 Cb 0.07 0.02 -0.05 0.00 -1.46 0.00 0.00 37.83 36.40 3mle s LYS 171 CO -0.02 -0.13 0.19 0.42 0.16 0.00 0.00 175.35 175.97 3mle s ILE 172 N 1.03 5.35 -0.06 5.43 1.01 -1.26 -1.48 121.20 131.21 3mle s ILE 172 Ca -0.07 0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.89 3mle s ILE 172 Cb -0.07 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 3mle s ILE 172 CO -0.08 0.36 -0.24 0.00 0.00 0.00 0.00 174.94 174.98 3mle s ALA 173 N 0.89 2.07 -0.10 9.38 0.00 -0.08 -1.92 121.76 132.00 3mle s ALA 173 Ca 0.09 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 50.83 3mle s ALA 173 Cb -0.13 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 3mle s ALA 173 CO 0.03 0.37 0.73 0.42 0.00 0.00 0.00 175.76 177.32 3mle s ILE 174 N -0.04 5.00 -0.90 0.00 1.01 -0.43 -0.11 121.20 125.72 3mle s ILE 174 Ca -0.06 1.48 -0.22 0.00 0.00 0.00 0.00 60.65 61.85 3mle s ILE 174 Cb -0.14 -4.06 0.08 0.00 0.01 0.00 0.00 42.46 38.35 3mle s ILE 174 CO 0.04 0.18 1.25 0.21 0.00 0.00 0.00 174.94 176.62 3mle s ASN 175 N 0.93 6.46 -0.40 3.58 2.47 0.89 -0.54 114.94 128.34 3mle s ASN 175 Ca 0.37 -1.49 -0.20 0.00 0.42 0.00 0.00 52.86 51.96 3mle s ASN 175 Cb -0.17 -2.49 0.01 0.00 -1.45 0.00 0.00 41.25 37.16 3mle s ASN 175 CO 0.16 -1.38 0.61 -0.22 -3.72 0.00 0.00 177.10 172.56 3mle s LEU 176 N 4.11 4.44 0.34 3.21 2.96 -1.26 -3.84 118.68 128.63 3mle s LEU 176 Ca 0.37 -0.19 -0.29 0.00 -0.22 0.00 0.00 54.13 53.80 3mle s LEU 176 Cb -0.05 -2.70 -0.11 0.00 0.50 0.00 0.00 46.19 43.83 3mle s LEU 176 CO -0.04 -0.68 1.38 -0.54 -1.32 0.00 0.00 176.35 175.15 3mle s LYS 177 N 2.70 4.27 0.24 1.98 3.01 -1.26 -4.90 119.74 125.78 3mle s LYS 177 Ca 0.22 2.34 -0.06 0.00 -1.01 0.00 0.00 55.97 57.47 3mle s LYS 177 Cb -0.15 -3.04 0.26 0.00 -1.01 0.00 0.00 37.83 33.89 3mle s LYS 177 CO 0.17 -0.32 1.85 0.78 0.51 0.00 0.00 175.35 178.34 3mle h GLY 178 N 3.42 1.26 -1.43 -3.33 0.00 -2.05 -2.21 103.07 98.73 3mle h GLY 178 Ca -0.49 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.24 3mle h GLY 178 CO 0.66 0.57 0.00 0.70 0.00 0.00 0.00 176.54 178.47 3mle n ASN 179 N -4.32 2.04 -4.47 0.19 3.02 -1.26 -4.70 115.26 105.76 3mle n ASN 179 Ca 0.08 -2.16 -0.44 0.00 -0.03 0.00 0.00 54.58 52.04 3mle n ASN 179 Cb 0.12 -0.36 -0.01 0.00 -0.61 0.00 0.00 39.78 38.92 3mle n ASN 179 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3mle s ASN 180 N -0.66 6.95 0.19 6.41 3.84 -0.83 -4.82 114.94 126.01 3mle s ASN 180 Ca 0.19 -2.72 -0.05 0.00 0.21 0.00 0.00 52.86 50.49 3mle s ASN 180 Cb 0.12 -2.41 0.10 0.00 -0.55 0.00 0.00 41.25 38.51 3mle s ASN 180 CO 0.09 -0.85 1.53 0.00 -2.79 0.00 0.00 177.10 175.08 3mle h THR 181 N 5.02 1.29 -0.91 -5.21 1.03 -1.88 -3.25 112.91 109.00 3mle h THR 181 Ca 0.28 -1.61 0.06 0.00 -0.01 0.00 0.00 66.41 65.13 3mle h THR 181 Cb 0.91 1.53 -0.06 0.00 -1.07 0.00 0.00 68.15 69.47 3mle h THR 181 CO 1.22 0.52 0.59 0.00 -0.01 0.00 0.00 175.52 177.84 3mle h ALA 182 N 0.95 1.50 -0.81 0.00 0.00 -1.98 -2.95 119.26 115.97 3mle h ALA 182 Ca 0.04 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.12 3mle h ALA 182 Cb 0.97 -0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 3mle h ALA 182 CO 0.09 0.37 0.22 0.35 0.00 0.00 0.00 179.25 180.28 3mle h PHE 183 N 1.04 0.35 -0.33 0.00 3.57 -1.85 -0.74 116.94 118.98 3mle h PHE 183 Ca 0.39 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.93 3mle h PHE 183 Cb 0.18 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3mle h PHE 183 CO -0.00 -0.12 0.21 1.25 -2.23 0.00 0.00 178.31 177.42 3mle h HIS 184 N 0.27 0.42 0.00 0.41 2.76 -1.73 -1.29 115.15 115.99 3mle h HIS 184 Ca 0.48 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.59 3mle h HIS 184 Cb 0.87 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.68 3mle h HIS 184 CO -0.25 0.28 -1.95 -1.13 -1.30 0.00 0.00 177.93 173.58 3mle n SER 185 N -4.47 0.59 -0.07 3.26 3.41 -0.89 -4.31 113.62 111.14 3mle n SER 185 Ca 0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.41 3mle n SER 185 Cb 0.07 1.70 -0.12 0.00 -0.26 0.00 0.00 64.21 65.60 3mle n SER 185 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3mle n ILE 186 N -2.26 1.63 -0.03 -1.33 2.08 -0.33 -4.77 119.36 114.34 3mle n ILE 186 Ca -0.08 -0.30 -0.05 0.00 0.56 0.00 0.00 62.75 62.88 3mle n ILE 186 Cb 0.61 -1.90 -0.03 0.00 -0.75 0.00 0.00 39.64 37.57 3mle n ILE 186 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 3mle n SER 187 N -4.04 3.48 -0.30 4.38 7.64 -0.57 -4.78 113.62 119.43 3mle n SER 187 Ca -0.34 -0.03 0.11 0.00 1.01 0.00 0.00 58.87 59.62 3mle n SER 187 Cb 0.84 -0.06 0.27 0.00 -1.01 0.00 0.00 64.21 64.25 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 0.00 0.39 -0.43 -3.43 5.85 -1.52 -2.19 115.31 113.98 3mle h LEU 188 Ca -0.15 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.78 3mle h LEU 188 Cb 1.25 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 3mle h LEU 188 CO -0.02 0.07 -0.01 -0.65 -0.34 0.00 0.00 178.44 177.49 3mle h PRO 189 N 0.47 0.09 -0.33 5.25 0.11 -1.85 0.10 132.00 135.86 3mle h PRO 189 Ca 0.52 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.56 3mle h PRO 189 Cb 0.91 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 3mle h PRO 189 CO -0.47 0.06 -0.08 -0.92 -0.21 0.00 0.00 178.00 176.38 3mle h TYR 190 N 0.10 0.58 -0.57 0.65 3.20 -1.73 -1.54 116.97 117.66 3mle h TYR 190 Ca 0.21 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 3mle h TYR 190 Cb 0.31 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3mle h TYR 190 CO -0.29 0.62 0.35 0.82 -1.64 0.00 0.00 178.16 178.01 3mle h ILE 191 N 0.51 1.17 -0.11 1.81 1.08 -0.98 0.48 117.51 121.48 3mle h ILE 191 Ca 0.10 -0.36 0.02 0.00 -0.39 0.00 0.00 64.86 64.22 3mle h ILE 191 Cb 0.46 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 3mle h ILE 191 CO 0.02 0.17 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.30 3mle h GLU 192 N 0.76 0.01 -0.02 2.37 5.08 -0.79 0.62 114.58 122.61 3mle h GLU 192 Ca 0.20 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3mle h GLU 192 Cb -0.03 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3mle h GLU 192 CO -0.04 0.01 -0.04 1.25 -1.00 0.00 0.00 179.01 179.19 3mle h LEU 193 N 0.01 -0.11 -0.89 1.33 5.85 -0.98 -2.11 115.31 118.42 3mle h LEU 193 Ca 0.05 0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.96 3mle h LEU 193 Cb 0.07 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.05 3mle h LEU 193 CO -0.10 -0.06 0.46 0.15 -0.34 0.00 0.00 178.44 178.56 3mle h PHE 194 N -0.06 0.80 -0.02 1.25 3.57 0.12 -2.38 116.94 120.23 3mle h PHE 194 Ca 0.02 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 3mle h PHE 194 Cb 0.09 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3mle h PHE 194 CO -0.12 0.15 -0.32 -0.91 -2.23 0.00 0.00 178.31 174.89 3mle h ASN 195 N 0.61 0.03 0.68 0.41 2.35 -0.29 -1.49 115.58 117.88 3mle h ASN 195 Ca 0.50 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.22 3mle h ASN 195 Cb 0.77 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 3mle h ASN 195 CO -0.39 0.34 -0.11 0.71 -1.65 0.00 0.00 177.43 176.33 3mle h THR 196 N 0.02 0.35 -0.12 2.81 1.35 -0.85 -3.19 112.91 113.28 3mle h THR 196 Ca 0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3mle h THR 196 Cb 0.57 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 3mle h THR 196 CO 0.04 0.11 0.00 0.54 -0.25 0.00 0.00 175.52 175.96 3mle n ARG 197 N -3.36 2.51 -4.82 4.72 1.74 -0.79 -5.01 116.66 111.66 3mle n ARG 197 Ca -0.01 -1.60 -0.28 0.00 -0.77 0.00 0.00 57.85 55.20 3mle n ARG 197 Cb 0.30 -1.11 -0.15 0.00 -1.02 0.00 0.00 32.46 30.49 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 -0.92 2.71 0.39 0.55 0.15 -0.63 -5.00 113.70 110.95 3mle s SER 198 Ca 0.09 -0.52 0.28 0.00 0.70 0.00 0.00 55.95 56.50 3mle s SER 198 Cb 0.05 -0.25 1.08 0.00 -1.71 0.00 0.00 66.02 65.19 3mle s SER 198 CO 0.06 0.21 1.82 0.78 1.20 0.00 0.00 173.24 177.32 3mle h ASN 199 N 5.00 0.00 -2.48 5.45 4.21 -1.90 -3.37 115.58 122.49 3mle h ASN 199 Ca -0.43 0.00 -0.60 0.00 1.21 0.00 0.00 56.30 56.48 3mle h ASN 199 Cb 1.15 0.00 -0.41 0.00 -1.12 0.00 0.00 38.32 37.94 3mle h ASN 199 CO 0.45 0.00 -0.75 -3.20 -1.29 0.00 0.00 177.43 172.64 3mle n ASN 200 N -2.65 2.11 -4.75 5.81 2.85 -1.26 -5.10 115.26 112.27 3mle n ASN 200 Ca 0.02 -3.04 -0.38 0.00 -0.11 0.00 0.00 54.58 51.07 3mle n ASN 200 Cb 0.30 -0.67 0.04 0.00 1.24 0.00 0.00 39.78 40.69 3mle n ASN 200 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3mle s PRO 201 N -1.46 3.12 -0.19 1.20 0.04 -1.26 -4.87 135.00 131.59 3mle s PRO 201 Ca 0.33 2.16 -0.25 0.00 0.04 0.00 0.00 61.00 63.27 3mle s PRO 201 Cb 0.07 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 3mle s PRO 201 CO -0.12 -1.18 0.84 0.42 0.04 0.00 0.00 177.00 177.01 3mle s ILE 202 N -1.35 4.86 0.42 0.56 1.01 -1.26 -4.58 121.20 120.86 3mle s ILE 202 Ca 0.72 1.64 0.08 0.00 0.00 0.00 0.00 60.65 63.09 3mle s ILE 202 Cb -0.39 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 37.93 3mle s ILE 202 CO 0.45 -0.01 0.45 0.68 0.00 0.00 0.00 174.94 176.52 3mle s VAL 203 N 2.35 2.76 -0.30 2.92 -7.23 -0.81 -4.98 120.40 115.11 3mle s VAL 203 Ca 0.38 -1.22 -0.11 0.00 -1.81 0.00 0.00 61.98 59.22 3mle s VAL 203 Cb -0.16 -2.97 -0.03 0.00 0.56 0.00 0.00 36.38 33.77 3mle s VAL 203 CO 0.11 0.00 0.20 -0.63 -0.31 0.00 0.00 175.10 174.47 3mle s ILE 204 N -2.44 5.19 0.15 -0.62 -1.09 -1.26 -1.31 121.20 119.83 3mle s ILE 204 Ca 0.51 -0.04 -0.22 0.00 -2.23 0.00 0.00 60.65 58.67 3mle s ILE 204 Cb -0.06 -3.56 0.04 0.00 -1.58 0.00 0.00 42.46 37.31 3mle s ILE 204 CO 0.30 0.14 1.63 0.15 -1.23 0.00 0.00 174.94 175.93 3mle h PHE 205 N 8.41 -0.64 0.00 3.97 3.57 -1.11 -0.58 116.94 130.56 3mle h PHE 205 Ca -0.34 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.21 3mle h PHE 205 Cb 1.17 0.33 0.00 0.00 2.79 0.00 0.00 35.95 40.24 3mle h PHE 205 CO 0.71 -0.32 0.00 1.96 -2.23 0.00 0.00 178.31 178.43 3mle h GLN 206 N -0.23 0.00 -0.32 1.11 7.50 -1.91 -0.25 115.11 121.01 3mle h GLN 206 Ca 0.15 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.30 3mle h GLN 206 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.99 3mle h GLN 206 CO -0.41 0.00 0.00 1.04 -1.50 0.00 0.00 178.83 177.96 3mle n GLN 207 N -2.64 2.27 -0.76 1.46 6.02 -0.25 -4.61 117.38 118.87 3mle n GLN 207 Ca -0.02 -2.08 0.05 0.00 -0.01 0.00 0.00 57.00 54.93 3mle n GLN 207 Cb 0.06 -1.43 0.08 0.00 1.02 0.00 0.00 30.24 29.97 3mle n GLN 207 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3mle n SER 208 N 1.22 1.18 0.12 1.08 7.64 -0.11 -4.84 113.62 119.91 3mle n SER 208 Ca 0.16 -2.67 -0.13 0.00 1.01 0.00 0.00 58.87 57.25 3mle n SER 208 Cb 0.53 -0.36 -0.06 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.56 -0.52 -0.04 -3.43 3.38 -1.81 0.16 115.31 113.61 3mle h LEU 209 Ca -0.07 0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3mle h LEU 209 Cb 1.39 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 3mle h LEU 209 CO 0.03 -0.27 -0.01 0.50 0.09 0.00 0.00 178.44 178.78 3mle h LYS 210 N -0.38 0.00 -0.94 1.13 1.63 -1.94 -0.16 116.57 115.91 3mle h LYS 210 Ca 0.02 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.88 3mle h LYS 210 Cb 0.38 -0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.95 3mle h LYS 210 CO -0.08 0.00 0.59 0.28 -3.45 0.00 0.00 179.45 176.80 3mle h VAL 211 N 0.01 1.05 0.01 2.00 2.07 -1.87 -1.79 116.25 117.72 3mle h VAL 211 Ca 0.02 -0.37 -0.20 0.00 0.82 0.00 0.00 66.70 66.98 3mle h VAL 211 Cb 0.03 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.67 3mle h VAL 211 CO -0.04 0.19 -0.92 -0.07 0.02 0.00 0.00 177.57 176.75 3mle h LEU 212 N 1.07 0.10 -0.40 2.57 3.38 -0.18 -1.34 115.31 120.50 3mle h LEU 212 Ca 0.41 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.25 3mle h LEU 212 Cb 0.20 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3mle h LEU 212 CO -0.18 0.96 0.08 -0.03 0.09 0.00 0.00 178.44 179.36 3mle h MET 213 N 0.03 0.65 -0.10 1.13 4.05 -0.64 -1.16 114.93 118.89 3mle h MET 213 Ca -0.03 -0.16 0.03 0.00 -0.28 0.00 0.00 59.70 59.26 3mle h MET 213 Cb 1.60 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 32.28 3mle h MET 213 CO 0.13 0.69 -0.10 0.77 0.23 0.00 0.00 176.91 178.63 3mle h SER 214 N 0.51 -0.30 -0.50 1.39 0.02 -1.17 -1.73 113.55 111.77 3mle h SER 214 Ca 0.12 0.06 0.08 0.00 -0.84 0.00 0.00 61.79 61.21 3mle h SER 214 Cb 0.34 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.96 3mle h SER 214 CO 0.00 -0.13 0.14 0.15 -1.14 0.00 0.00 176.83 175.85 3mle h PHE 215 N -0.12 0.24 -0.23 3.45 3.57 -1.12 0.76 116.94 123.49 3mle h PHE 215 Ca 0.07 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3mle h PHE 215 Cb 0.22 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3mle h PHE 215 CO -0.21 0.04 -0.06 0.00 -2.23 0.00 0.00 178.31 175.86 3mle h ALA 216 N 1.36 1.48 -0.00 2.41 0.00 -0.84 -3.03 119.26 120.64 3mle h ALA 216 Ca 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mle h ALA 216 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3mle h ALA 216 CO -0.29 0.37 -0.76 1.28 0.00 0.00 0.00 179.25 179.86 3mle n LEU 217 N -4.29 0.80 -4.70 0.00 4.77 -0.68 -4.62 117.00 108.28 3mle n LEU 217 Ca 0.00 -0.28 -0.35 0.00 -0.03 0.00 0.00 56.01 55.35 3mle n LEU 217 Cb 0.24 -0.11 0.10 0.00 -2.33 0.00 0.00 43.42 41.32 3mle n LEU 217 CO 0.38 0.20 0.80 1.17 -1.33 0.00 0.00 177.39 178.61 3mle n LYS 218 N -1.45 0.62 0.00 3.23 4.81 0.19 -5.01 118.16 120.55 3mle n LYS 218 Ca 0.05 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 3mle n LYS 218 Cb 0.34 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 32.93 3mle n LYS 218 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mle n GLY 219 N 0.78 2.53 0.76 3.14 0.00 -1.26 -5.03 105.19 106.11 3mle n GLY 219 Ca 0.15 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.96 3mle n GLY 219 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18