#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mle s HIS 0 N 0.00 2.86 -0.09 1.61 0.09 -0.94 -4.98 115.29 113.83 3mle s HIS 0 Ca 0.00 -0.12 0.02 0.00 -0.00 0.00 0.00 55.06 54.96 3mle s HIS 0 Cb 0.00 -1.42 0.02 0.00 -0.00 0.00 0.00 32.58 31.17 3mle s HIS 0 CO 0.00 0.49 -0.13 1.41 -0.00 0.00 0.00 174.74 176.52 3mle s MET 1 N -2.68 1.89 -0.23 1.40 -2.45 -1.26 -0.60 119.30 115.38 3mle s MET 1 Ca 0.26 -0.45 -0.02 0.00 -1.25 0.00 0.00 55.69 54.23 3mle s MET 1 Cb -0.10 -1.64 0.01 0.00 1.25 0.00 0.00 34.83 34.35 3mle s MET 1 CO 0.18 -0.06 -0.08 -1.17 1.05 0.00 0.00 175.02 174.94 3mle s LEU 2 N 0.97 2.89 0.02 4.11 2.96 -0.55 -1.43 118.68 127.65 3mle s LEU 2 Ca -0.08 -0.68 -0.21 0.00 -0.22 0.00 0.00 54.13 52.93 3mle s LEU 2 Cb -0.15 -1.65 -0.06 0.00 0.50 0.00 0.00 46.19 44.83 3mle s LEU 2 CO -0.00 -0.07 0.63 0.12 -1.32 0.00 0.00 176.35 175.71 3mle s PHE 3 N 1.37 3.72 -0.19 5.38 5.36 0.26 -0.50 117.98 133.37 3mle s PHE 3 Ca 0.03 1.28 -0.00 0.00 -0.96 0.00 0.00 56.93 57.27 3mle s PHE 3 Cb -0.15 -2.64 0.01 0.00 -0.34 0.00 0.00 43.02 39.90 3mle s PHE 3 CO -0.06 0.37 -0.15 0.42 -1.46 0.00 0.00 175.22 174.34 3mle s ILE 4 N -0.30 2.42 0.13 3.12 1.01 0.76 0.19 121.20 128.52 3mle s ILE 4 Ca 0.32 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 60.15 3mle s ILE 4 Cb -0.19 -2.05 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 3mle s ILE 4 CO 0.19 0.49 0.04 -0.24 0.00 0.00 0.00 174.94 175.42 3mle n SER 5 N 4.66 1.17 -3.83 3.58 2.88 -0.29 -1.12 113.62 120.69 3mle n SER 5 Ca -0.20 -1.67 -0.10 0.00 -1.33 0.00 0.00 58.87 55.57 3mle n SER 5 Cb 0.50 0.30 -0.04 0.00 -0.75 0.00 0.00 64.21 64.21 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 -2.33 -0.23 0.26 -1.46 0.00 -1.25 0.30 121.76 117.04 3mle s ALA 6 Ca 0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 3mle s ALA 6 Cb 0.00 1.04 0.33 0.00 0.00 0.00 0.00 23.12 24.49 3mle s ALA 6 CO 0.04 -0.87 1.86 1.79 0.00 0.00 0.00 175.76 178.58 3mle h THR 7 N 2.20 1.23 -2.26 0.00 1.35 -1.10 -3.37 112.91 110.95 3mle h THR 7 Ca -0.26 -0.66 -0.00 0.00 -0.55 0.00 0.00 66.41 64.94 3mle h THR 7 Cb 1.25 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3mle h THR 7 CO 0.35 0.28 0.10 -3.20 -0.25 0.00 0.00 175.52 172.80 3mle n ASN 8 N -4.32 -0.72 -4.72 5.36 2.85 -1.26 -4.79 115.26 107.66 3mle n ASN 8 Ca 0.07 -1.48 -0.34 0.00 -0.11 0.00 0.00 54.58 52.72 3mle n ASN 8 Cb 0.14 1.19 0.10 0.00 1.24 0.00 0.00 39.78 42.45 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 -2.67 2.36 -1.49 -0.44 -1.32 -1.26 -3.59 115.64 107.23 3mle s THR 9 Ca 0.05 0.17 -0.03 0.00 -1.21 0.00 0.00 61.69 60.67 3mle s THR 9 Cb -0.02 -2.66 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 3mle s THR 9 CO 0.04 -0.11 0.42 -3.20 -2.21 0.00 0.00 174.62 169.56 3mle n ASN 10 N -2.95 -5.72 -0.05 8.08 5.15 -1.26 -4.89 115.26 113.63 3mle n ASN 10 Ca 0.13 -0.20 0.02 0.00 -0.60 0.00 0.00 54.58 53.93 3mle n ASN 10 Cb 0.51 -4.60 -0.16 0.00 -0.53 0.00 0.00 39.78 35.00 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 -3.05 2.24 0.00 5.20 0.00 -1.24 -4.99 120.51 118.68 3mle n ALA 11 Ca -0.14 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.49 3mle n ALA 11 Cb 0.63 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 1.54 0.66 0.40 0.00 0.00 -1.26 -4.33 105.19 102.20 3mle n GLY 12 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.36 0.01 1.61 1.57 -1.91 -0.39 116.57 117.10 3mle h LYS 13 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3mle h LYS 13 Cb 0.00 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3mle h LYS 13 CO 0.00 -0.24 -0.02 1.15 -0.57 0.00 0.00 179.45 179.77 3mle h THR 14 N -0.37 0.96 -0.20 -0.16 2.02 -1.97 0.18 112.91 113.37 3mle h THR 14 Ca 0.12 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.31 3mle h THR 14 Cb 0.60 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 3mle h THR 14 CO -0.54 0.00 0.10 0.74 0.37 0.00 0.00 175.52 176.19 3mle h THR 15 N -0.04 0.99 -0.54 3.16 2.02 -1.93 -1.71 112.91 114.88 3mle h THR 15 Ca 0.00 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 67.02 3mle h THR 15 Cb 0.04 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3mle h THR 15 CO -0.01 0.04 -0.04 0.00 0.37 0.00 0.00 175.52 175.88 3mle h ALA 17 N 0.94 0.45 -0.19 0.00 0.00 -0.43 0.13 119.26 120.16 3mle h ALA 17 Ca 0.15 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3mle h ALA 17 Cb 0.59 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3mle h ALA 17 CO 0.04 -0.30 0.06 0.00 0.00 0.00 0.00 179.25 179.04 3mle h ARG 18 N 0.23 0.30 -0.81 0.00 3.08 -1.00 -0.47 114.38 115.70 3mle h ARG 18 Ca 0.19 -0.07 0.10 0.00 0.07 0.00 0.00 59.98 60.28 3mle h ARG 18 Cb 0.22 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.15 3mle h ARG 18 CO -0.24 0.41 0.45 -0.07 -1.07 0.00 0.00 179.97 179.44 3mle h LEU 19 N 0.13 0.62 -0.21 3.04 3.38 -0.66 0.82 115.31 122.43 3mle h LEU 19 Ca 0.06 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3mle h LEU 19 Cb 0.24 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3mle h LEU 19 CO -0.00 0.34 -0.08 0.25 0.09 0.00 0.00 178.44 179.03 3mle h LEU 20 N 0.73 0.43 -0.47 1.67 5.85 -0.77 -2.02 115.31 120.74 3mle h LEU 20 Ca 0.40 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3mle h LEU 20 Cb 0.42 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3mle h LEU 20 CO -0.27 0.73 0.30 0.00 -0.34 0.00 0.00 178.44 178.86 3mle h ALA 21 N 0.71 0.59 -0.40 1.25 0.00 -0.71 -0.12 119.26 120.59 3mle h ALA 21 Ca 0.05 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3mle h ALA 21 Cb 0.56 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3mle h ALA 21 CO 0.03 0.03 0.01 0.37 0.00 0.00 0.00 179.25 179.69 3mle h GLN 22 N 0.62 0.12 0.04 0.00 4.15 -0.79 0.26 115.11 119.51 3mle h GLN 22 Ca 0.17 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 3mle h GLN 22 Cb -0.06 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.61 3mle h GLN 22 CO -0.05 0.08 -0.02 -0.92 -1.93 0.00 0.00 178.83 175.99 3mle h TYR 23 N 0.12 -0.05 0.01 3.99 3.20 -0.93 -1.54 116.97 121.76 3mle h TYR 23 Ca 0.20 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.09 3mle h TYR 23 Cb 0.28 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 3mle h TYR 23 CO -0.26 0.10 -0.18 0.00 -1.64 0.00 0.00 178.16 176.18 3mle h ASN 25 N -0.30 0.51 -0.47 0.00 2.35 -0.38 0.61 115.58 117.91 3mle h ASN 25 Ca 0.05 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 3mle h ASN 25 Cb 0.36 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3mle h ASN 25 CO -0.16 0.41 0.03 0.00 -1.65 0.00 0.00 177.43 176.06 3mle h ALA 26 N 1.68 1.06 0.00 -0.83 0.00 -0.65 -2.40 119.26 118.11 3mle h ALA 26 Ca 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3mle h ALA 26 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3mle h ALA 26 CO -0.03 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3mle n GLY 28 N 0.62 0.48 3.43 0.00 0.00 -0.90 -5.01 105.19 103.80 3mle n GLY 28 Ca 0.07 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 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 4.77 -0.37 1.61 1.01 0.08 -4.98 120.40 120.52 3mle s VAL 29 Ca 0.00 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.10 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 1.99 -1.59 0.00 0.00 0.00 175.10 174.50 3mle s LYS 30 N 2.87 2.99 -0.13 2.72 0.00 -1.26 -2.94 119.74 123.99 3mle s LYS 30 Ca 0.15 1.43 0.01 0.00 0.00 0.00 0.00 55.97 57.56 3mle s LYS 30 Cb -0.20 -4.33 0.02 0.00 0.00 0.00 0.00 37.83 33.32 3mle s LYS 30 CO 0.10 -2.27 -0.15 0.99 0.00 0.00 0.00 175.35 174.03 3mle s THR 31 N 8.36 1.54 0.06 3.79 2.01 -1.26 -1.25 115.64 128.90 3mle s THR 31 Ca 0.85 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 62.22 3mle s THR 31 Cb -0.22 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 3mle s THR 31 CO 0.31 0.45 0.17 -0.51 -0.69 0.00 0.00 174.62 174.34 3mle s ILE 32 N 1.27 5.10 -0.18 1.82 2.07 -0.67 -4.92 121.20 125.69 3mle s ILE 32 Ca -0.00 -0.51 -0.01 0.00 -1.41 0.00 0.00 60.65 58.72 3mle s ILE 32 Cb -0.14 -3.48 0.00 0.00 0.13 0.00 0.00 42.46 38.98 3mle s ILE 32 CO -0.07 0.14 -0.13 -0.76 -1.91 0.00 0.00 174.94 172.21 3mle s LEU 33 N -2.45 2.51 -0.04 8.50 1.43 -1.26 -1.25 118.68 126.12 3mle s LEU 33 Ca 0.33 -0.49 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 3mle s LEU 33 Cb -0.13 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 3mle s LEU 33 CO 0.26 0.03 -0.24 -0.76 0.23 0.00 0.00 176.35 175.87 3mle s LEU 34 N 1.15 2.04 -0.64 1.79 1.43 0.83 -4.79 118.68 120.48 3mle s LEU 34 Ca 0.01 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.70 3mle s LEU 34 Cb -0.14 -1.27 0.17 0.00 0.03 0.00 0.00 46.19 44.97 3mle s LEU 34 CO -0.05 0.26 0.46 -0.75 0.23 0.00 0.00 176.35 176.50 3mle s LYS 35 N -0.32 2.15 0.20 1.70 2.47 -0.76 -0.15 119.74 125.03 3mle s LYS 35 Ca 0.02 -3.09 -0.10 0.00 -1.56 0.00 0.00 55.97 51.24 3mle s LYS 35 Cb -0.12 -3.03 0.14 0.00 -1.46 0.00 0.00 37.83 33.36 3mle s LYS 35 CO 0.01 -1.30 1.83 -1.00 0.16 0.00 0.00 175.35 175.05 3mle h PRO 36 N 5.47 1.01 -5.18 4.03 0.13 -1.73 -3.36 132.00 132.37 3mle h PRO 36 Ca 0.16 -0.11 -0.65 0.00 -0.87 0.00 0.00 66.00 64.53 3mle h PRO 36 Cb 0.79 -0.20 -0.33 0.00 0.13 0.00 0.00 31.00 31.38 3mle h PRO 36 CO 0.65 0.73 -0.87 0.42 -0.23 0.00 0.00 178.00 178.71 3mle s ILE 37 N -5.91 1.92 -0.01 -3.56 1.01 -1.26 -1.22 121.20 112.16 3mle s ILE 37 Ca -0.13 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 3mle s ILE 37 Cb 0.15 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.94 3mle s ILE 37 CO 0.79 0.53 0.03 -0.70 0.00 0.00 0.00 174.94 175.59 3mle s GLU 38 N 0.51 0.04 0.24 2.79 2.12 -0.11 -4.56 118.70 119.73 3mle s GLU 38 Ca -0.15 0.03 0.04 0.00 0.36 0.00 0.00 54.97 55.24 3mle s GLU 38 Cb -0.17 0.02 -0.05 0.00 0.26 0.00 0.00 34.13 34.18 3mle s GLU 38 CO 0.06 -0.01 -0.02 0.95 -0.54 0.00 0.00 175.26 175.70 3mle s THR 39 N -0.02 1.19 -0.54 -1.70 -4.23 -1.26 -1.90 115.64 107.18 3mle s THR 39 Ca -0.00 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 3mle s THR 39 Cb -0.00 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.46 3mle s THR 39 CO 0.00 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 3mle n GLY 40 N -0.46 0.46 3.57 3.99 0.00 -0.14 -4.88 105.19 107.72 3mle n GLY 40 Ca -0.05 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.25 3.25 -0.34 1.61 -7.23 -0.34 -4.89 120.40 110.22 3mle s VAL 41 Ca 0.00 -1.41 -0.01 0.00 -1.81 0.00 0.00 61.98 58.74 3mle s VAL 41 Cb 0.00 -2.55 0.12 0.00 0.56 0.00 0.00 36.38 34.51 3mle s VAL 41 CO 0.00 0.04 0.17 0.21 -0.31 0.00 0.00 175.10 175.21 3mle s ASN 42 N -2.39 3.42 0.46 4.85 3.84 -1.26 -3.35 114.94 120.50 3mle s ASN 42 Ca 0.22 -1.86 0.30 0.00 0.21 0.00 0.00 52.86 51.73 3mle s ASN 42 Cb -0.10 -0.54 1.18 0.00 -0.55 0.00 0.00 41.25 41.23 3mle s ASN 42 CO 0.14 -0.36 1.88 0.44 -2.79 0.00 0.00 177.10 176.41 3mle h ASP 43 N 7.60 0.00 -0.21 -4.21 3.32 -1.99 -0.99 116.42 119.96 3mle h ASP 43 Ca -0.07 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 3mle h ASP 43 Cb 0.98 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3mle h ASP 43 CO 0.38 0.00 -0.13 0.00 -1.72 0.00 0.00 179.24 177.77 3mle h ALA 44 N 2.09 1.14 0.00 3.45 0.00 -2.06 -3.39 119.26 120.48 3mle h ALA 44 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 54.91 54.33 3mle h ALA 44 Cb 0.51 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3mle h ALA 44 CO 0.00 0.54 -2.03 -0.89 0.00 0.00 0.00 179.25 176.88 3mle n ILE 45 N -4.18 1.02 -4.89 0.00 2.08 -0.68 -4.99 119.36 107.73 3mle n ILE 45 Ca 0.01 -0.34 -0.33 0.00 0.56 0.00 0.00 62.75 62.65 3mle n ILE 45 Cb 0.35 -1.37 -0.16 0.00 -0.75 0.00 0.00 39.64 37.71 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 -6.10 3.44 -0.34 4.38 2.47 -0.46 -5.01 114.94 113.33 3mle s ASN 46 Ca -0.25 -0.49 0.07 0.00 0.42 0.00 0.00 52.86 52.61 3mle s ASN 46 Cb 0.08 -1.50 0.49 0.00 -1.45 0.00 0.00 41.25 38.87 3mle s ASN 46 CO 0.38 0.14 1.47 1.41 -3.72 0.00 0.00 177.10 176.77 3mle n HIS 47 N 3.71 1.80 -0.71 0.43 8.25 -1.26 -4.37 115.22 123.06 3mle n HIS 47 Ca -0.19 -1.97 0.06 0.00 -0.26 0.00 0.00 57.72 55.36 3mle n HIS 47 Cb 0.52 -0.58 0.08 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.99 2.09 -4.66 0.41 7.64 -1.26 -4.70 113.62 112.15 3mle n SER 48 Ca 0.40 -2.61 -0.30 0.00 1.01 0.00 0.00 58.87 57.37 3mle n SER 48 Cb 0.96 -0.26 0.17 0.00 -1.01 0.00 0.00 64.21 64.08 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 -2.07 2.88 0.25 6.43 1.04 -1.26 -4.69 113.70 116.28 3mle s SER 49 Ca 0.19 1.91 -0.03 0.00 0.48 0.00 0.00 55.95 58.49 3mle s SER 49 Cb 0.16 -2.46 0.47 0.00 0.10 0.00 0.00 66.02 64.29 3mle s SER 49 CO 0.02 -3.08 1.78 0.44 0.98 0.00 0.00 173.24 173.38 3mle h ASP 50 N -1.85 0.59 -0.79 7.02 5.19 -1.99 0.37 116.42 124.96 3mle h ASP 50 Ca -0.48 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.00 3mle h ASP 50 Cb 1.28 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.72 3mle h ASP 50 CO 0.47 0.29 0.47 0.00 -3.12 0.00 0.00 179.24 177.35 3mle h ALA 51 N 1.51 1.01 -0.45 3.45 0.00 -1.91 -0.93 119.26 121.93 3mle h ALA 51 Ca 0.43 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 3mle h ALA 51 Cb 0.52 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3mle h ALA 51 CO -0.31 0.47 0.03 0.45 0.00 0.00 0.00 179.25 179.90 3mle h HIS 52 N 1.08 0.84 -0.51 0.00 3.86 -1.29 0.33 115.15 119.46 3mle h HIS 52 Ca 0.28 -0.13 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3mle h HIS 52 Cb -0.04 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 3mle h HIS 52 CO -0.01 0.80 0.31 -0.07 0.86 0.00 0.00 177.93 179.83 3mle h LEU 53 N 0.63 0.61 -0.58 2.43 3.38 -1.02 -2.39 115.31 118.38 3mle h LEU 53 Ca 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3mle h LEU 53 Cb 0.45 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3mle h LEU 53 CO 0.02 0.48 0.31 -0.26 0.09 0.00 0.00 178.44 179.08 3mle h PHE 54 N 0.68 0.80 -0.46 1.13 -1.00 -0.48 -2.68 116.94 114.95 3mle h PHE 54 Ca 0.18 -0.02 0.07 0.00 2.81 0.00 0.00 57.97 61.01 3mle h PHE 54 Cb -0.02 -0.25 -0.06 0.00 3.61 0.00 0.00 35.95 39.23 3mle h PHE 54 CO -0.03 0.59 0.13 1.25 -1.61 0.00 0.00 178.31 178.64 3mle h LEU 55 N 0.78 0.10 -1.29 1.54 5.85 -0.05 0.17 115.31 122.42 3mle h LEU 55 Ca 0.20 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 3mle h LEU 55 Cb 0.06 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3mle h LEU 55 CO -0.03 0.09 -0.26 0.06 -0.34 0.00 0.00 178.44 177.96 3mle h GLN 56 N 0.29 0.15 -0.06 1.25 3.07 -1.27 -0.80 115.11 117.74 3mle h GLN 56 Ca 0.22 -0.05 -0.11 0.00 0.09 0.00 0.00 58.65 58.80 3mle h GLN 56 Cb 0.25 -0.01 0.01 0.00 0.08 0.00 0.00 27.48 27.80 3mle h GLN 56 CO -0.25 0.41 -0.40 -0.44 0.09 0.00 0.00 178.83 178.23 3mle h ASP 57 N 0.14 0.47 0.14 0.06 5.19 -0.96 -3.27 116.42 118.18 3mle h ASP 57 Ca 0.02 -0.67 -0.02 0.00 -0.62 0.00 0.00 57.03 55.74 3mle h ASP 57 Cb 0.54 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.91 3mle h ASP 57 CO 0.04 1.06 -0.11 0.78 -3.12 0.00 0.00 179.24 177.89 3mle h ASN 58 N -0.10 0.00 0.87 6.45 2.35 -0.35 -2.26 115.58 122.54 3mle h ASN 58 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3mle h ASN 58 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 3mle h ASN 58 CO 0.08 0.11 0.00 0.03 -1.65 0.00 0.00 177.43 176.00 3mle h ARG 59 N 0.00 0.00 0.00 0.81 3.08 -1.20 -0.54 114.38 116.52 3mle h ARG 59 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3mle h ARG 59 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3mle h ARG 59 CO 0.01 0.00 -0.11 -0.07 -1.07 0.00 0.00 179.97 178.73 3mle h LEU 60 N 0.00 0.00 0.01 3.04 3.38 -1.54 -2.95 115.31 117.25 3mle h LEU 60 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 3mle h LEU 60 Cb 0.43 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 3mle h LEU 60 CO 0.00 0.11 -2.23 0.18 0.09 0.00 0.00 178.44 176.59 3mle n LEU 61 N -3.43 2.25 -3.55 1.67 4.77 -0.41 -4.89 117.00 113.41 3mle n LEU 61 Ca -0.01 0.23 -0.29 0.00 -0.03 0.00 0.00 56.01 55.91 3mle n LEU 61 Cb 0.28 -0.90 -0.15 0.00 -2.33 0.00 0.00 43.42 40.32 3mle n LEU 61 CO 0.29 0.63 -0.33 -0.62 -1.33 0.00 0.00 177.39 176.04 3mle s ASP 62 N -7.11 3.52 0.49 -1.43 -1.08 -0.35 -5.02 116.67 105.70 3mle s ASP 62 Ca -0.34 -1.45 0.15 0.00 -0.52 0.00 0.00 52.55 50.38 3mle s ASP 62 Cb 0.11 -0.42 1.16 0.00 -1.46 0.00 0.00 42.92 42.32 3mle s ASP 62 CO 0.56 -0.42 2.09 -0.09 0.52 0.00 0.00 175.17 177.83 3mle h ARG 63 N 8.18 0.17 0.00 4.34 1.12 -1.78 -2.53 114.38 123.88 3mle h ARG 63 Ca -0.16 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.70 3mle h ARG 63 Cb 1.00 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.93 3mle h ARG 63 CO 0.42 0.11 0.00 -1.13 -3.11 0.00 0.00 179.97 176.26 3mle n SER 64 N -4.50 0.50 -4.76 -3.80 3.41 -1.26 -4.84 113.62 98.37 3mle n SER 64 Ca 0.01 0.66 -0.37 0.00 -0.26 0.00 0.00 58.87 58.91 3mle n SER 64 Cb 0.18 -0.75 0.01 0.00 -0.26 0.00 0.00 64.21 63.39 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 -4.19 3.92 0.19 1.04 1.43 -0.95 -5.04 118.68 115.07 3mle s LEU 65 Ca 0.02 2.46 0.04 0.00 -1.03 0.00 0.00 54.13 55.62 3mle s LEU 65 Cb 0.08 -4.30 -0.05 0.00 0.03 0.00 0.00 46.19 41.95 3mle s LEU 65 CO 0.29 -1.20 -0.06 0.42 0.23 0.00 0.00 176.35 176.02 3mle s THR 66 N -1.48 1.15 0.20 5.49 -4.23 -1.26 -4.99 115.64 110.52 3mle s THR 66 Ca 0.68 -2.06 -0.12 0.00 -1.18 0.00 0.00 61.69 59.01 3mle s THR 66 Cb -0.32 -2.08 0.15 0.00 1.34 0.00 0.00 72.50 71.59 3mle s THR 66 CO 0.38 -0.55 1.69 0.25 -0.54 0.00 0.00 174.62 175.85 3mle h LEU 67 N 2.63 -0.15 -2.26 4.79 5.85 -1.95 0.49 115.31 124.72 3mle h LEU 67 Ca -0.37 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3mle h LEU 67 Cb 1.21 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 3mle h LEU 67 CO 0.64 -0.05 -0.05 0.11 -0.34 0.00 0.00 178.44 178.75 3mle h LYS 68 N 0.17 0.00 0.00 1.25 6.56 -1.98 -0.80 116.57 121.77 3mle h LYS 68 Ca 0.29 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.79 3mle h LYS 68 Cb 0.44 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.08 3mle h LYS 68 CO -0.43 0.05 -0.44 -0.44 -2.06 0.00 0.00 179.45 176.13 3mle h ASP 69 N 0.00 0.00 -0.00 0.86 3.32 -1.30 -3.35 116.42 115.95 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 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3mle h ASP 69 CO 0.01 0.44 -0.01 2.30 -1.72 0.00 0.00 179.24 180.25 3mle n ILE 70 N -3.95 0.00 -3.75 0.35 -5.35 -0.43 -4.98 119.36 101.25 3mle n ILE 70 Ca -0.02 -0.49 -0.13 0.00 -0.27 0.00 0.00 62.75 61.84 3mle n ILE 70 Cb 0.47 1.01 -0.14 0.00 -1.74 0.00 0.00 39.64 39.25 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 -0.40 -0.18 -0.01 7.28 0.15 -0.46 -1.84 113.70 118.25 3mle s SER 71 Ca 0.01 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.05 3mle s SER 71 Cb 0.01 0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 64.60 3mle s SER 71 CO 0.02 -0.14 -0.01 0.49 1.20 0.00 0.00 173.24 174.80 3mle n PHE 72 N 4.07 0.00 -4.07 3.44 3.72 -0.36 -4.29 117.46 119.97 3mle n PHE 72 Ca -0.24 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.83 3mle n PHE 72 Cb 0.53 -0.05 -0.15 0.00 -0.94 0.00 0.00 39.48 38.87 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 -2.02 2.98 -0.04 1.38 2.02 -0.43 -5.04 117.35 116.19 3mle s TYR 73 Ca -0.01 -1.79 0.00 0.00 -0.37 0.00 0.00 57.07 54.90 3mle s TYR 73 Cb 0.00 -1.96 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 3mle s TYR 73 CO 0.03 -0.80 -0.02 1.03 -1.57 0.00 0.00 175.55 174.22 3mle s ARG 74 N 1.25 0.55 0.06 -0.62 0.52 -1.26 -0.94 118.95 118.51 3mle s ARG 74 Ca 0.00 0.01 0.03 0.00 -0.52 0.00 0.00 55.73 55.26 3mle s ARG 74 Cb -0.16 -0.69 -0.03 0.00 0.52 0.00 0.00 34.95 34.59 3mle s ARG 74 CO -0.09 -0.14 -0.09 0.71 0.02 0.00 0.00 175.30 175.71 3mle s TYR 75 N 1.13 0.85 0.15 -0.53 2.02 -0.80 -5.02 117.35 115.15 3mle s TYR 75 Ca -0.08 -0.55 -0.08 0.00 -0.37 0.00 0.00 57.07 55.99 3mle s TYR 75 Cb -0.14 -0.49 -0.02 0.00 -0.40 0.00 0.00 41.96 40.91 3mle s TYR 75 CO -0.01 -0.05 1.42 0.45 -1.57 0.00 0.00 175.55 175.79 3mle h HIS 76 N 4.19 0.93 -3.17 2.71 3.86 -1.90 -0.64 115.15 121.13 3mle h HIS 76 Ca -0.37 -0.35 -0.53 0.00 -1.16 0.00 0.00 60.37 57.96 3mle h HIS 76 Cb 1.19 -0.17 0.06 0.00 1.06 0.00 0.00 27.41 29.56 3mle h HIS 76 CO 0.64 1.15 0.85 0.21 0.86 0.00 0.00 177.93 181.63 3mle s LYS 77 N -3.99 4.20 -1.26 2.45 2.20 -1.26 -3.60 119.74 118.48 3mle s LYS 77 Ca -0.09 2.43 -0.14 0.00 -0.36 0.00 0.00 55.97 57.80 3mle s LYS 77 Cb 0.10 -3.09 0.13 0.00 -1.51 0.00 0.00 37.83 33.47 3mle s LYS 77 CO 0.87 -0.56 1.62 0.28 -0.36 0.00 0.00 175.35 177.20 3mle n VAL 78 N 2.80 4.13 -3.88 4.02 0.31 -1.26 -0.97 118.33 123.49 3mle n VAL 78 Ca 0.10 -4.42 -0.09 0.00 -0.01 0.00 0.00 64.34 59.91 3mle n VAL 78 Cb 0.38 -2.43 -0.00 0.00 -0.91 0.00 0.00 33.84 30.88 3mle n VAL 78 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3mle s SER 79 N 3.03 0.07 0.48 4.52 1.04 -1.26 -4.95 113.70 116.63 3mle s SER 79 Ca 0.46 -1.04 -0.23 0.00 0.48 0.00 0.00 55.95 55.61 3mle s SER 79 Cb 0.01 0.77 -0.08 0.00 0.10 0.00 0.00 66.02 66.83 3mle s SER 79 CO 0.02 -1.49 1.24 0.00 0.98 0.00 0.00 173.24 173.99 3mle n ALA 80 N -0.50 1.17 -0.26 5.32 0.00 -1.26 -4.78 120.51 120.19 3mle n ALA 80 Ca -0.05 0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.58 3mle n ALA 80 Cb 0.60 -2.26 0.14 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 1.63 0.71 -0.59 0.00 0.11 -1.90 -2.09 132.00 129.88 3mle h PRO 81 Ca -0.49 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.66 3mle h PRO 81 Cb 1.31 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 3mle h PRO 81 CO 0.58 0.47 0.24 1.25 -0.21 0.00 0.00 178.00 180.33 3mle h LEU 82 N 0.74 0.27 -0.26 2.35 5.85 -1.50 0.39 115.31 123.15 3mle h LEU 82 Ca 0.35 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 59.10 3mle h LEU 82 Cb 0.29 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3mle h LEU 82 CO -0.22 0.17 0.00 0.40 -0.34 0.00 0.00 178.44 178.45 3mle h ILE 83 N 0.44 1.26 -0.07 4.05 1.08 -1.74 -1.60 117.51 120.93 3mle h ILE 83 Ca 0.29 -0.91 0.03 0.00 -0.39 0.00 0.00 64.86 63.88 3mle h ILE 83 Cb 0.31 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 35.37 3mle h ILE 83 CO -0.26 0.29 -0.12 0.00 -0.69 0.00 0.00 178.15 177.36 3mle h ALA 84 N 0.82 -0.08 0.30 1.87 0.00 -0.81 -2.72 119.26 118.63 3mle h ALA 84 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3mle h ALA 84 Cb 0.42 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3mle h ALA 84 CO 0.01 -0.59 -0.42 0.37 0.00 0.00 0.00 179.25 178.62 3mle h GLN 85 N -0.17 -0.75 -1.00 0.00 -0.00 -0.11 -0.11 115.11 112.96 3mle h GLN 85 Ca 0.07 0.05 0.18 0.00 -0.00 0.00 0.00 58.65 58.95 3mle h GLN 85 Cb 0.27 0.17 -0.10 0.00 0.00 0.00 0.00 27.48 27.81 3mle h GLN 85 CO -0.17 -0.50 0.62 1.96 0.00 0.00 0.00 178.83 180.74 3mle h GLN 86 N -0.78 0.77 0.19 1.69 4.20 -1.30 0.52 115.11 120.40 3mle h GLN 86 Ca -0.02 -0.05 -0.32 0.00 0.06 0.00 0.00 58.65 58.33 3mle h GLN 86 Cb 0.73 -0.17 0.03 0.00 0.30 0.00 0.00 27.48 28.37 3mle h GLN 86 CO -0.14 0.51 -1.36 1.49 -0.67 0.00 0.00 178.83 178.66 3mle h GLU 87 N 0.79 0.59 0.00 1.46 4.81 -1.27 -3.29 114.58 117.67 3mle h GLU 87 Ca 0.57 -0.88 -0.15 0.00 -0.13 0.00 0.00 59.36 58.77 3mle h GLU 87 Cb 0.85 0.31 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 3mle h GLU 87 CO -0.37 1.41 -2.09 0.39 -0.73 0.00 0.00 179.01 177.62 3mle n GLU 88 N -3.75 0.73 -3.03 1.92 1.02 -0.07 -4.69 120.64 112.76 3mle n GLU 88 Ca -0.15 -0.11 -0.16 0.00 -0.02 0.00 0.00 57.16 56.72 3mle n GLU 88 Cb 1.05 -1.49 -0.00 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 -2.42 -0.46 -0.15 1.62 -0.08 0.18 -5.01 116.55 110.23 3mle n ASP 89 Ca -0.15 -3.15 0.11 0.00 -1.51 0.00 0.00 54.79 50.09 3mle n ASP 89 Cb 0.78 0.25 0.44 0.00 2.34 0.00 0.00 41.12 44.93 3mle n ASP 89 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3mle h PRO 90 N 3.30 0.54 -0.10 -0.67 0.11 -1.60 -1.77 132.00 131.81 3mle h PRO 90 Ca 0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3mle h PRO 90 Cb 0.99 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3mle h PRO 90 CO 0.39 0.35 0.00 0.09 -0.21 0.00 0.00 178.00 178.62 3mle n ASN 91 N -4.49 0.60 -3.31 -2.05 3.02 -1.26 -4.47 115.26 103.31 3mle n ASN 91 Ca 0.12 -1.84 -0.26 0.00 -0.03 0.00 0.00 54.58 52.57 3mle n ASN 91 Cb 0.37 -0.06 -0.09 0.00 -0.61 0.00 0.00 39.78 39.39 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 -0.24 2.66 -1.31 5.41 0.00 -0.67 -5.12 120.51 121.24 3mle n ALA 92 Ca 0.08 -3.20 -0.35 0.00 0.00 0.00 0.00 53.44 49.97 3mle n ALA 92 Cb 0.12 -0.78 0.11 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 2.29 0.48 -2.20 0.00 -0.02 -1.26 -4.89 135.00 129.39 3mle n PRO 93 Ca 0.26 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 3mle n PRO 93 Cb 0.50 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 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 -1.88 3.32 -0.47 4.25 1.01 -1.26 -4.97 121.20 121.21 3mle s ILE 94 Ca 0.76 0.99 -0.13 0.00 0.00 0.00 0.00 60.65 62.27 3mle s ILE 94 Cb -0.32 -3.64 0.09 0.00 0.01 0.00 0.00 42.46 38.61 3mle s ILE 94 CO 0.48 0.10 0.38 -0.62 0.00 0.00 0.00 174.94 175.28 3mle s ASP 95 N 0.84 5.95 0.31 3.58 -1.08 -1.26 -4.89 116.67 120.12 3mle s ASP 95 Ca 0.61 -1.57 0.12 0.00 -0.52 0.00 0.00 52.55 51.19 3mle s ASP 95 Cb -0.36 -2.11 0.49 0.00 -1.46 0.00 0.00 42.92 39.47 3mle s ASP 95 CO 0.33 -0.68 1.68 0.71 0.52 0.00 0.00 175.17 177.73 3mle h THR 96 N 5.93 1.32 0.08 1.71 1.35 -1.98 -1.22 112.91 120.10 3mle h THR 96 Ca -0.26 -1.85 -0.00 0.00 -0.55 0.00 0.00 66.41 63.75 3mle h THR 96 Cb 1.09 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 3mle h THR 96 CO 0.88 0.52 -0.04 0.44 -0.25 0.00 0.00 175.52 177.07 3mle h ASP 97 N 0.00 -0.09 -0.13 5.36 5.19 -1.99 0.43 116.42 125.18 3mle h ASP 97 Ca -0.01 -0.12 0.04 0.00 -0.62 0.00 0.00 57.03 56.33 3mle h ASP 97 Cb 0.97 0.02 -0.07 0.00 0.18 0.00 0.00 39.33 40.44 3mle h ASP 97 CO 0.07 0.06 -0.44 -1.13 -3.12 0.00 0.00 179.24 174.68 3mle h ASN 98 N -0.24 -1.39 -0.80 6.45 -1.24 -1.97 -2.16 115.58 114.24 3mle h ASN 98 Ca -0.01 0.18 0.13 0.00 0.71 0.00 0.00 56.30 57.31 3mle h ASN 98 Cb 0.20 0.56 -0.09 0.00 0.73 0.00 0.00 38.32 39.73 3mle h ASN 98 CO 0.02 -0.44 0.40 -0.07 -1.29 0.00 0.00 177.43 176.05 3mle h LEU 99 N -0.51 0.49 -0.43 0.34 3.38 -1.10 -1.57 115.31 115.91 3mle h LEU 99 Ca 0.07 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3mle h LEU 99 Cb 0.64 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3mle h LEU 99 CO -0.41 0.23 0.27 0.74 0.09 0.00 0.00 178.44 179.36 3mle h THR 100 N 0.61 1.13 -0.11 0.22 2.02 -0.57 -0.21 112.91 116.00 3mle h THR 100 Ca 0.42 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 67.37 3mle h THR 100 Cb 0.56 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 3mle h THR 100 CO -0.34 0.13 -0.12 1.56 0.37 0.00 0.00 175.52 177.12 3mle h GLN 101 N 0.57 -0.14 -0.76 6.66 1.08 -0.67 -0.68 115.11 121.18 3mle h GLN 101 Ca 0.16 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 3mle h GLN 101 Cb -0.03 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 3mle h GLN 101 CO -0.03 -0.09 0.39 0.00 -0.95 0.00 0.00 178.83 178.14 3mle h ARG 102 N -0.15 1.07 0.00 1.46 2.47 -1.00 0.58 114.38 118.81 3mle h ARG 102 Ca 0.08 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 3mle h ARG 102 Cb 0.26 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 3mle h ARG 102 CO -0.19 0.81 -0.00 -0.07 0.56 0.00 0.00 179.97 181.08 3mle h LEU 103 N 1.07 -0.00 -0.90 3.04 3.38 -0.79 -3.26 115.31 117.85 3mle h LEU 103 Ca 0.27 -0.58 0.08 0.00 0.09 0.00 0.00 57.88 57.74 3mle h LEU 103 Cb 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 3mle h LEU 103 CO -0.04 0.58 0.55 -0.74 0.09 0.00 0.00 178.44 178.88 3mle h HIS 104 N -0.58 1.01 -0.93 1.13 2.76 -0.85 -1.19 115.15 116.50 3mle h HIS 104 Ca -0.00 0.03 0.26 0.00 -2.20 0.00 0.00 60.37 58.46 3mle h HIS 104 Cb 0.58 -0.32 -0.14 0.00 1.55 0.00 0.00 27.41 29.08 3mle h HIS 104 CO 0.13 0.46 0.38 -0.91 -1.30 0.00 0.00 177.93 176.70 3mle h ASN 105 N 0.95 0.25 0.30 3.26 2.35 -0.93 0.21 115.58 121.96 3mle h ASN 105 Ca 0.42 0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 56.30 3mle h ASN 105 Cb 0.29 0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3mle h ASN 105 CO -0.21 -0.12 -0.23 -0.26 -1.65 0.00 0.00 177.43 174.96 3mle h PHE 106 N 0.29 0.00 0.00 1.19 0.04 -1.27 -2.42 116.94 114.77 3mle h PHE 106 Ca 0.62 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.39 3mle h PHE 106 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 3mle h PHE 106 CO -0.15 0.23 0.00 1.79 -0.60 0.00 0.00 178.31 179.57 3mle h THR 107 N 0.00 0.00 -0.41 -1.55 1.35 -0.62 -0.50 112.91 111.18 3mle h THR 107 Ca -0.00 -0.23 -0.05 0.00 -0.55 0.00 0.00 66.41 65.58 3mle h THR 107 Cb 0.43 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.01 3mle h THR 107 CO 0.03 0.00 0.06 0.11 -0.25 0.00 0.00 175.52 175.46 3mle h LYS 108 N 0.00 0.63 -0.00 4.72 6.56 -1.45 -2.23 116.57 124.80 3mle h LYS 108 Ca 0.00 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 3mle h LYS 108 Cb 0.24 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 3mle h LYS 108 CO 0.00 0.61 -0.05 0.25 -2.06 0.00 0.00 179.45 178.20 3mle n THR 109 N -4.29 0.00 -5.17 -0.16 -2.24 -0.67 -4.90 114.28 96.86 3mle n THR 109 Ca 0.02 -0.48 -0.30 0.00 -2.27 0.00 0.00 64.05 61.03 3mle n THR 109 Cb 0.23 1.02 -0.16 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.72 2.21 0.30 4.78 2.02 -0.29 -5.03 117.35 120.62 3mle s TYR 110 Ca 0.01 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.16 3mle s TYR 110 Cb 0.02 -1.45 0.59 0.00 -0.40 0.00 0.00 41.96 40.72 3mle s TYR 110 CO 0.05 -0.15 1.85 -0.44 -1.57 0.00 0.00 175.55 175.29 3mle h ASP 111 N 5.93 0.89 -3.39 2.29 3.32 -1.48 -3.39 116.42 120.59 3mle h ASP 111 Ca -0.35 0.04 -0.26 0.00 0.02 0.00 0.00 57.03 56.48 3mle h ASP 111 Cb 1.16 -0.14 -0.33 0.00 0.22 0.00 0.00 39.33 40.24 3mle h ASP 111 CO 0.47 0.48 -0.63 -0.22 -1.72 0.00 0.00 179.24 177.63 3mle s LEU 112 N -10.14 0.65 -0.33 1.55 2.96 -0.68 -2.22 118.68 110.48 3mle s LEU 112 Ca -0.12 0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.01 3mle s LEU 112 Cb 0.22 0.27 0.05 0.00 0.50 0.00 0.00 46.19 47.23 3mle s LEU 112 CO 0.81 -0.16 0.06 -0.69 -1.32 0.00 0.00 176.35 175.05 3mle s VAL 113 N 1.34 3.34 -0.17 1.68 1.01 0.23 -1.67 120.40 126.17 3mle s VAL 113 Ca -0.07 -1.36 -0.17 0.00 0.00 0.00 0.00 61.98 60.38 3mle s VAL 113 Cb -0.12 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3mle s VAL 113 CO -0.05 -0.20 0.45 -0.63 0.00 0.00 0.00 175.10 174.66 3mle s ILE 114 N 1.30 5.18 -0.26 2.22 1.01 -0.38 -1.48 121.20 128.79 3mle s ILE 114 Ca -0.02 0.84 0.01 0.00 0.00 0.00 0.00 60.65 61.48 3mle s ILE 114 Cb -0.20 -3.78 0.05 0.00 0.01 0.00 0.00 42.46 38.54 3mle s ILE 114 CO 0.00 0.27 -0.09 -0.69 0.00 0.00 0.00 174.94 174.43 3mle s VAL 115 N 1.08 2.38 -0.08 2.92 1.01 0.34 -0.12 120.40 127.93 3mle s VAL 115 Ca 0.22 -1.46 -0.26 0.00 0.00 0.00 0.00 61.98 60.49 3mle s VAL 115 Cb -0.15 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3mle s VAL 115 CO 0.09 0.04 0.84 -0.70 0.00 0.00 0.00 175.10 175.36 3mle s GLU 116 N 1.17 4.43 0.00 2.72 2.12 0.79 -0.17 118.70 129.75 3mle s GLU 116 Ca -0.06 1.10 0.00 0.00 0.36 0.00 0.00 54.97 56.37 3mle s GLU 116 Cb -0.19 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.70 3mle s GLU 116 CO -0.05 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 3mle n GLY 117 N 3.16 -1.44 3.00 -1.50 0.00 -0.27 -4.18 105.19 103.96 3mle n GLY 117 Ca 0.03 -1.54 -0.22 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.54 1.01 0.00 4.61 0.00 -1.26 -4.93 121.76 117.65 3mle s ALA 118 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3mle s ALA 118 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.69 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 3.56 2.94 0.00 0.00 0.00 -1.26 -4.80 105.19 105.63 3mle n GLY 119 Ca -0.21 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 1.99 0.21 -0.02 0.00 -1.26 -3.93 105.19 102.18 3mle n GLY 120 Ca 0.00 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 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 0.70 -1.69 0.99 3.38 -1.87 -3.18 115.31 113.64 3mle h LEU 121 Ca 0.00 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3mle h LEU 121 Cb 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3mle h LEU 121 CO 0.00 1.17 0.00 0.00 0.09 0.00 0.00 178.44 179.70 3mle s VAL 123 N -1.42 3.25 0.09 0.00 1.01 -1.20 -4.80 120.40 117.34 3mle s VAL 123 Ca 0.32 0.62 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 3mle s VAL 123 Cb 0.17 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 3mle s VAL 123 CO 0.22 -0.01 0.94 -2.16 0.00 0.00 0.00 175.10 174.09 3mle s PRO 124 N 2.90 4.67 -0.27 2.72 0.04 -1.26 -1.52 135.00 142.27 3mle s PRO 124 Ca 0.72 1.41 -0.12 0.00 0.04 0.00 0.00 61.00 63.06 3mle s PRO 124 Cb -0.37 -3.38 -0.12 0.00 0.04 0.00 0.00 34.50 30.66 3mle s PRO 124 CO 0.31 0.20 -0.34 -0.89 0.04 0.00 0.00 177.00 176.32 3mle n ILE 125 N 2.89 1.50 -4.44 0.56 5.41 0.28 -2.24 119.36 123.31 3mle n ILE 125 Ca 0.02 -0.40 -0.22 0.00 1.00 0.00 0.00 62.75 63.15 3mle n ILE 125 Cb 0.49 -1.82 -0.10 0.00 -0.71 0.00 0.00 39.64 37.50 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 -2.50 0.92 0.39 1.39 -4.23 -0.48 -3.55 115.64 107.58 3mle s THR 126 Ca -0.38 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.32 3mle s THR 126 Cb 0.14 -2.65 0.39 0.00 1.34 0.00 0.00 72.50 71.73 3mle s THR 126 CO 0.49 0.00 1.74 -0.07 -0.54 0.00 0.00 174.62 176.24 3mle h LEU 127 N 2.07 0.44 0.00 4.79 3.38 -1.97 -2.62 115.31 121.40 3mle h LEU 127 Ca -0.39 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3mle h LEU 127 Cb 1.25 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3mle h LEU 127 CO 0.65 0.04 -1.31 -0.62 0.09 0.00 0.00 178.44 177.28 3mle n GLU 128 N -4.68 0.86 -4.15 1.13 -0.58 -1.26 -5.02 120.64 106.93 3mle n GLU 128 Ca 0.28 -0.08 -0.16 0.00 -0.42 0.00 0.00 57.16 56.78 3mle n GLU 128 Cb 0.95 -1.38 -0.14 0.00 -0.57 0.00 0.00 31.44 30.29 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 -2.96 0.42 0.54 3.49 2.02 -0.99 -5.10 118.70 116.12 3mle s GLU 129 Ca 0.00 -0.19 0.02 0.00 0.02 0.00 0.00 54.97 54.83 3mle s GLU 129 Cb 0.13 -0.40 0.02 0.00 0.10 0.00 0.00 34.13 33.97 3mle s GLU 129 CO 0.74 0.11 0.16 0.54 0.02 0.00 0.00 175.26 176.84 3mle s ASN 130 N -0.13 4.34 0.25 -0.19 2.20 -1.26 -0.55 114.94 119.60 3mle s ASN 130 Ca 0.02 -1.54 -0.05 0.00 -0.94 0.00 0.00 52.86 50.35 3mle s ASN 130 Cb -0.02 0.62 0.30 0.00 -2.00 0.00 0.00 41.25 40.16 3mle s ASN 130 CO -0.00 -1.02 1.91 0.24 -2.94 0.00 0.00 177.10 175.29 3mle h MET 131 N 1.05 1.23 -0.33 3.55 2.86 -1.14 -1.08 114.93 121.08 3mle h MET 131 Ca -0.41 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.16 3mle h MET 131 Cb 1.32 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 3mle h MET 131 CO 0.67 0.82 0.20 1.25 1.06 0.00 0.00 176.91 180.90 3mle h LEU 132 N 1.27 0.39 -0.50 1.22 5.85 -1.33 -0.93 115.31 121.29 3mle h LEU 132 Ca 0.38 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 59.14 3mle h LEU 132 Cb -0.04 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 3mle h LEU 132 CO -0.11 0.33 0.11 0.44 -0.34 0.00 0.00 178.44 178.87 3mle h ASP 133 N 0.42 0.02 0.00 1.25 3.32 -1.58 -0.66 116.42 119.20 3mle h ASP 133 Ca 0.12 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.27 3mle h ASP 133 Cb 0.01 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3mle h ASP 133 CO -0.02 0.04 -0.08 0.15 -1.72 0.00 0.00 179.24 177.61 3mle h PHE 134 N 0.25 -0.20 -0.55 4.55 3.57 -0.99 0.08 116.94 123.65 3mle h PHE 134 Ca 0.25 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.81 3mle h PHE 134 Cb 0.33 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3mle h PHE 134 CO -0.22 -0.12 0.37 0.00 -2.23 0.00 0.00 178.31 176.10 3mle h ALA 135 N 0.84 1.80 -0.17 2.41 0.00 -0.44 -0.42 119.26 123.28 3mle h ALA 135 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3mle h ALA 135 Cb 0.18 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3mle h ALA 135 CO -0.08 0.12 -0.27 -0.07 0.00 0.00 0.00 179.25 178.95 3mle h LEU 136 N 0.56 0.53 -1.09 0.00 3.38 -0.64 -2.67 115.31 115.38 3mle h LEU 136 Ca 0.23 -0.53 0.04 0.00 0.09 0.00 0.00 57.88 57.71 3mle h LEU 136 Cb 0.20 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3mle h LEU 136 CO -0.06 0.96 0.61 0.50 0.09 0.00 0.00 178.44 180.54 3mle h LYS 137 N 0.12 1.13 0.00 1.13 3.64 -0.21 0.19 116.57 122.58 3mle h LYS 137 Ca 0.01 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3mle h LYS 137 Cb 0.85 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3mle h LYS 137 CO 0.06 0.75 0.00 1.28 -2.27 0.00 0.00 179.45 179.27 3mle n LEU 138 N -4.44 0.00 -2.46 5.20 4.77 -0.24 -4.86 117.00 114.97 3mle n LEU 138 Ca 0.13 0.46 -0.11 0.00 -0.03 0.00 0.00 56.01 56.46 3mle n LEU 138 Cb 0.11 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.73 3mle n LEU 138 CO 0.35 -0.26 -0.14 0.29 -1.33 0.00 0.00 177.39 176.29 3mle n LYS 139 N -1.46 -2.31 -2.33 3.23 4.01 0.68 -4.93 118.16 115.05 3mle n LYS 139 Ca 0.04 0.55 -0.27 0.00 -0.51 0.00 0.00 58.31 58.11 3mle n LYS 139 Cb 0.14 -5.14 0.03 0.00 -0.51 0.00 0.00 35.03 29.55 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 -2.57 3.25 0.36 7.82 0.00 -1.02 -4.98 121.76 124.62 3mle s ALA 140 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 3mle s ALA 140 Cb -0.00 -2.67 -0.08 0.00 0.00 0.00 0.00 23.12 20.37 3mle s ALA 140 CO 0.00 -0.81 0.74 0.15 0.00 0.00 0.00 175.76 175.84 3mle s LYS 141 N -5.03 3.87 -0.15 0.00 1.02 -0.52 -4.74 119.74 114.20 3mle s LYS 141 Ca 0.54 0.53 -0.00 0.00 0.02 0.00 0.00 55.97 57.06 3mle s LYS 141 Cb -0.11 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 3mle s LYS 141 CO 0.46 0.07 -0.14 1.41 -0.92 0.00 0.00 175.35 176.24 3mle s MET 142 N -3.40 3.27 -0.26 1.68 -2.45 -0.60 0.90 119.30 118.44 3mle s MET 142 Ca 0.52 -0.72 -0.00 0.00 -1.25 0.00 0.00 55.69 54.24 3mle s MET 142 Cb -0.10 -2.65 0.04 0.00 1.25 0.00 0.00 34.83 33.37 3mle s MET 142 CO 0.25 0.06 -0.07 -1.17 1.05 0.00 0.00 175.02 175.14 3mle s LEU 143 N 0.73 3.36 -0.31 4.11 2.96 0.13 -0.70 118.68 128.96 3mle s LEU 143 Ca -0.06 -1.10 -0.10 0.00 -0.22 0.00 0.00 54.13 52.64 3mle s LEU 143 Cb -0.15 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 3mle s LEU 143 CO 0.01 -0.17 0.17 -0.22 -1.32 0.00 0.00 176.35 174.82 3mle s LEU 144 N 1.24 4.17 -0.00 -0.68 0.20 -0.10 -1.14 118.68 122.37 3mle s LEU 144 Ca -0.03 -0.46 -0.18 0.00 0.69 0.00 0.00 54.13 54.14 3mle s LEU 144 Cb -0.18 -2.03 -0.06 0.00 -0.43 0.00 0.00 46.19 43.49 3mle s LEU 144 CO -0.04 -0.19 0.52 -0.63 -0.29 0.00 0.00 176.35 175.72 3mle s ILE 145 N 1.64 4.93 0.11 6.68 -1.09 0.15 -1.19 121.20 132.44 3mle s ILE 145 Ca 0.05 1.10 0.09 0.00 -2.23 0.00 0.00 60.65 59.66 3mle s ILE 145 Cb -0.17 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 3mle s ILE 145 CO 0.07 0.48 -0.19 -0.55 -1.23 0.00 0.00 174.94 173.52 3mle s SER 146 N -0.52 3.83 0.98 3.58 0.15 0.16 -0.46 113.70 121.42 3mle s SER 146 Ca 0.28 -0.56 -0.12 0.00 0.70 0.00 0.00 55.95 56.25 3mle s SER 146 Cb -0.18 -0.52 0.18 0.00 -1.71 0.00 0.00 66.02 63.79 3mle s SER 146 CO 0.16 0.19 1.10 -1.38 1.20 0.00 0.00 173.24 174.51 3mle s HIS 147 N -1.11 2.19 -0.26 3.44 -3.43 -1.26 -0.38 115.29 114.48 3mle s HIS 147 Ca 0.17 0.96 0.16 0.00 -0.80 0.00 0.00 55.06 55.55 3mle s HIS 147 Cb -0.11 -3.29 0.49 0.00 -1.43 0.00 0.00 32.58 28.24 3mle s HIS 147 CO 0.09 -2.78 1.39 -0.40 -2.00 0.00 0.00 174.74 171.04 3mle n ASP 148 N -4.09 3.70 -4.97 7.38 5.75 -1.25 -4.61 116.55 118.45 3mle n ASP 148 Ca 0.05 -2.90 -0.18 0.00 -0.01 0.00 0.00 54.79 51.75 3mle n ASP 148 Cb 0.58 -0.50 -0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 -1.86 5.60 -0.11 -1.12 0.01 -1.26 -4.77 114.94 111.44 3mle s ASN 149 Ca 0.39 -0.43 -0.39 0.00 -0.71 0.00 0.00 52.86 51.72 3mle s ASN 149 Cb 0.31 -0.79 -0.17 0.00 0.41 0.00 0.00 41.25 41.01 3mle s ASN 149 CO 0.09 -0.64 1.50 -0.11 -1.51 0.00 0.00 177.10 176.43 3mle n LEU 150 N -1.72 1.78 0.00 0.60 7.94 -1.26 -1.18 117.00 123.16 3mle n LEU 150 Ca 0.05 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.06 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 0.40 -0.85 0.00 0.61 -1.11 0.00 0.00 177.39 176.44 3mle n GLY 151 N 3.22 0.68 0.24 -3.96 0.00 -1.26 -4.99 105.19 99.13 3mle n GLY 151 Ca 0.23 0.00 -0.02 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 0.45 0.23 0.99 8.10 -1.46 -2.78 115.31 120.84 3mle h LEU 152 Ca 0.00 -0.13 0.01 0.00 0.11 0.00 0.00 57.88 57.86 3mle h LEU 152 Cb 0.00 -0.12 -0.03 0.00 -0.44 0.00 0.00 40.66 40.07 3mle h LEU 152 CO 0.00 0.66 -0.30 0.40 -4.11 0.00 0.00 178.44 175.09 3mle h ILE 153 N 0.41 0.37 -0.44 0.15 2.04 -1.94 0.45 117.51 118.55 3mle h ILE 153 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.99 3mle h ILE 153 Cb 0.58 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 3mle h ILE 153 CO 0.04 0.00 0.12 -1.13 0.00 0.00 0.00 178.15 177.18 3mle h ASN 154 N -0.58 0.08 -0.37 1.72 -1.24 -1.95 0.14 115.58 113.37 3mle h ASN 154 Ca 0.00 0.06 -0.05 0.00 0.71 0.00 0.00 56.30 57.03 3mle h ASN 154 Cb 0.56 0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.67 3mle h ASN 154 CO -0.11 0.08 0.04 0.44 -1.29 0.00 0.00 177.43 176.59 3mle h ASP 155 N 0.26 0.61 -0.08 1.15 3.32 -1.20 -0.08 116.42 120.41 3mle h ASP 155 Ca 0.21 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 57.00 3mle h ASP 155 Cb 0.24 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3mle h ASP 155 CO -0.25 0.73 -0.04 0.00 -1.72 0.00 0.00 179.24 177.96 3mle h LEU 157 N -0.04 0.73 -0.32 0.00 3.38 -0.78 0.24 115.31 118.51 3mle h LEU 157 Ca 0.05 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.75 3mle h LEU 157 Cb 0.11 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3mle h LEU 157 CO -0.11 1.01 0.07 -0.07 0.09 0.00 0.00 178.44 179.44 3mle h LEU 158 N 0.58 0.04 -0.52 1.67 3.38 -0.98 0.42 115.31 119.89 3mle h LEU 158 Ca 0.06 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 3mle h LEU 158 Cb 0.87 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3mle h LEU 158 CO 0.08 0.06 -0.15 0.78 0.09 0.00 0.00 178.44 179.29 3mle h ASN 159 N 0.19 1.04 -0.58 -0.43 2.35 -1.08 -2.25 115.58 114.81 3mle h ASN 159 Ca 0.15 -0.37 0.08 0.00 -0.55 0.00 0.00 56.30 55.60 3mle h ASN 159 Cb 0.15 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 38.18 3mle h ASN 159 CO -0.18 1.17 0.25 -0.78 -1.65 0.00 0.00 177.43 176.24 3mle h ASP 160 N 0.90 0.30 -0.57 5.81 3.58 -0.09 0.22 116.42 126.57 3mle h ASP 160 Ca 0.13 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 3mle h ASP 160 Cb 0.73 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.77 3mle h ASP 160 CO 0.06 0.19 0.35 0.15 -2.88 0.00 0.00 179.24 177.11 3mle h PHE 161 N 0.47 0.75 -0.25 0.28 3.57 -0.49 -0.34 116.94 120.92 3mle h PHE 161 Ca 0.28 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 3mle h PHE 161 Cb 0.29 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3mle h PHE 161 CO -0.14 0.51 -0.08 1.25 -2.23 0.00 0.00 178.31 177.62 3mle h LEU 162 N 0.77 0.51 0.09 0.59 5.85 -0.84 -2.98 115.31 119.29 3mle h LEU 162 Ca 0.21 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3mle h LEU 162 Cb -0.03 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.86 3mle h LEU 162 CO -0.04 0.77 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.71 3mle h LEU 163 N 0.24 -0.10 -2.49 2.25 3.38 -0.68 -2.70 115.31 115.21 3mle h LEU 163 Ca 0.06 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3mle h LEU 163 Cb 0.55 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3mle h LEU 163 CO 0.03 0.12 0.00 0.07 0.09 0.00 0.00 178.44 178.74 3mle h LYS 164 N -0.32 0.00 -0.04 1.13 2.10 -1.14 0.17 116.57 118.47 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 0.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 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 -2.86 0.42 -4.23 7.07 7.64 -1.02 -4.88 113.62 115.77 3mle n SER 165 Ca -0.02 -1.45 -0.15 0.00 1.01 0.00 0.00 58.87 58.25 3mle n SER 165 Cb 0.08 -0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.15 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 -1.95 1.24 -1.31 1.43 3.76 0.61 -5.08 115.29 113.99 3mle s HIS 166 Ca 0.31 -0.68 -0.15 0.00 -0.15 0.00 0.00 55.06 54.39 3mle s HIS 166 Cb 0.15 -0.65 0.10 0.00 1.11 0.00 0.00 32.58 33.29 3mle s HIS 166 CO 0.24 0.08 1.77 0.94 -0.85 0.00 0.00 174.74 176.92 3mle n GLN 167 N 0.21 3.22 -3.63 1.40 7.27 -1.26 -4.88 117.38 119.70 3mle n GLN 167 Ca -0.13 -3.32 -0.14 0.00 0.07 0.00 0.00 57.00 53.47 3mle n GLN 167 Cb 0.59 -3.28 -0.07 0.00 2.41 0.00 0.00 30.24 29.89 3mle n GLN 167 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 3mle s LEU 168 N 2.68 0.15 0.02 1.69 2.34 -1.26 -5.08 118.68 119.22 3mle s LEU 168 Ca 0.48 0.23 -0.24 0.00 0.06 0.00 0.00 54.13 54.66 3mle s LEU 168 Cb 0.05 1.90 -0.05 0.00 -0.56 0.00 0.00 46.19 47.53 3mle s LEU 168 CO 0.02 -0.61 0.72 -1.81 -1.06 0.00 0.00 176.35 173.61 3mle s ASP 169 N -1.65 7.13 0.07 1.48 1.01 -1.26 -4.96 116.67 118.49 3mle s ASP 169 Ca -0.09 1.35 -0.05 0.00 0.71 0.00 0.00 52.55 54.47 3mle s ASP 169 Cb -0.02 -2.44 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 3mle s ASP 169 CO 0.02 0.01 0.10 -0.72 0.21 0.00 0.00 175.17 174.79 3mle s TYR 170 N 0.08 0.29 0.01 4.23 -0.85 -1.26 -1.55 117.35 118.30 3mle s TYR 170 Ca 0.37 -0.76 0.01 0.00 -0.52 0.00 0.00 57.07 56.17 3mle s TYR 170 Cb -0.20 -0.19 -0.01 0.00 0.38 0.00 0.00 41.96 41.94 3mle s TYR 170 CO 0.21 -0.46 -0.03 0.15 -1.52 0.00 0.00 175.55 173.89 3mle s LYS 171 N -3.76 0.28 -0.22 -3.49 1.02 0.13 -4.98 119.74 108.73 3mle s LYS 171 Ca 0.05 -0.32 -0.06 0.00 0.02 0.00 0.00 55.97 55.66 3mle s LYS 171 Cb 0.05 -0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 37.20 3mle s LYS 171 CO -0.10 0.03 0.02 0.42 -0.92 0.00 0.00 175.35 174.80 3mle s ILE 172 N -0.60 4.09 -0.09 2.17 1.01 -1.26 -0.92 121.20 125.59 3mle s ILE 172 Ca -0.05 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.38 3mle s ILE 172 Cb -0.05 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.55 3mle s ILE 172 CO -0.00 0.40 -0.23 0.00 0.00 0.00 0.00 174.94 175.11 3mle s ALA 173 N 1.19 2.11 -0.15 9.38 0.00 -0.33 -1.94 121.76 132.02 3mle s ALA 173 Ca 0.04 -0.94 -0.25 0.00 0.00 0.00 0.00 51.96 50.81 3mle s ALA 173 Cb -0.14 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 3mle s ALA 173 CO 0.02 0.29 0.82 0.42 0.00 0.00 0.00 175.76 177.30 3mle s ILE 174 N 0.33 4.90 -1.06 0.00 1.01 -0.21 -0.67 121.20 125.51 3mle s ILE 174 Ca -0.18 1.62 -0.22 0.00 0.00 0.00 0.00 60.65 61.88 3mle s ILE 174 Cb -0.18 -4.13 0.06 0.00 0.01 0.00 0.00 42.46 38.23 3mle s ILE 174 CO 0.08 0.06 1.47 0.21 0.00 0.00 0.00 174.94 176.77 3mle s ASN 175 N 1.10 6.58 -0.27 3.58 2.47 0.49 -1.05 114.94 127.84 3mle s ASN 175 Ca 0.39 -1.69 -0.18 0.00 0.42 0.00 0.00 52.86 51.80 3mle s ASN 175 Cb -0.17 -2.56 -0.02 0.00 -1.45 0.00 0.00 41.25 37.05 3mle s ASN 175 CO 0.14 -1.41 0.52 -0.22 -3.72 0.00 0.00 177.10 172.41 3mle s LEU 176 N 4.62 4.07 0.50 3.21 2.96 -1.26 -3.92 118.68 128.85 3mle s LEU 176 Ca 0.46 0.48 -0.22 0.00 -0.22 0.00 0.00 54.13 54.63 3mle s LEU 176 Cb 0.00 -2.66 -0.06 0.00 0.50 0.00 0.00 46.19 43.97 3mle s LEU 176 CO -0.07 -0.31 1.21 -0.54 -1.32 0.00 0.00 176.35 175.32 3mle s LYS 177 N 2.33 3.52 0.26 1.98 3.01 -1.26 -4.88 119.74 124.70 3mle s LYS 177 Ca 0.21 1.87 0.05 0.00 -1.01 0.00 0.00 55.97 57.09 3mle s LYS 177 Cb -0.16 -2.30 0.33 0.00 -1.01 0.00 0.00 37.83 34.69 3mle s LYS 177 CO 0.09 -0.77 1.61 0.78 0.51 0.00 0.00 175.35 177.58 3mle h GLY 178 N 1.75 0.26 -0.76 -3.33 0.00 -2.05 -2.93 103.07 96.02 3mle h GLY 178 Ca -0.50 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.54 3mle h GLY 178 CO 0.59 0.27 0.00 1.16 0.00 0.00 0.00 176.54 178.55 3mle n ASN 179 N -3.93 1.33 -4.48 0.19 6.94 -1.26 -4.76 115.26 109.29 3mle n ASN 179 Ca -0.02 -1.85 -0.43 0.00 -0.02 0.00 0.00 54.58 52.25 3mle n ASN 179 Cb 0.56 -0.14 -0.01 0.00 -2.36 0.00 0.00 39.78 37.83 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 -1.23 6.80 0.17 0.53 3.84 -1.11 -4.80 114.94 119.14 3mle s ASN 180 Ca 0.23 -2.37 -0.04 0.00 0.21 0.00 0.00 52.86 50.89 3mle s ASN 180 Cb 0.12 -2.44 0.04 0.00 -0.55 0.00 0.00 41.25 38.42 3mle s ASN 180 CO 0.17 -1.01 1.44 0.71 -2.79 0.00 0.00 177.10 175.62 3mle h THR 181 N 5.49 1.34 -0.49 -5.21 1.35 -1.89 -3.32 112.91 110.17 3mle h THR 181 Ca 0.26 -1.96 -0.01 0.00 -0.55 0.00 0.00 66.41 64.14 3mle h THR 181 Cb 0.95 1.94 -0.02 0.00 -1.73 0.00 0.00 68.15 69.28 3mle h THR 181 CO 1.24 0.60 0.25 0.00 -0.25 0.00 0.00 175.52 177.36 3mle h ALA 182 N 0.88 1.52 -0.87 6.62 0.00 -1.99 -3.10 119.26 122.32 3mle h ALA 182 Ca -0.02 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.97 3mle h ALA 182 Cb 1.23 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 3mle h ALA 182 CO 0.12 0.39 0.43 0.35 0.00 0.00 0.00 179.25 180.55 3mle h PHE 183 N 0.68 0.75 -0.07 0.00 3.57 -1.86 -0.90 116.94 119.10 3mle h PHE 183 Ca 0.17 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3mle h PHE 183 Cb 0.05 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3mle h PHE 183 CO 0.00 0.12 -0.17 0.45 -2.23 0.00 0.00 178.31 176.48 3mle h HIS 184 N 0.56 0.12 0.00 0.41 3.86 -1.76 -1.27 115.15 117.07 3mle h HIS 184 Ca 0.50 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.64 3mle h HIS 184 Cb 0.78 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 3mle h HIS 184 CO -0.10 0.28 -2.03 -1.13 0.86 0.00 0.00 177.93 175.82 3mle n SER 185 N -4.28 0.17 -0.05 2.45 3.41 -0.86 -4.25 113.62 110.22 3mle n SER 185 Ca -0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.38 3mle n SER 185 Cb 0.27 1.81 -0.13 0.00 -0.26 0.00 0.00 64.21 65.89 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 -2.31 1.67 -0.03 -1.33 2.08 -0.40 -4.77 119.36 114.26 3mle n ILE 186 Ca -0.08 -0.43 -0.05 0.00 0.56 0.00 0.00 62.75 62.75 3mle n ILE 186 Cb 0.65 -1.82 -0.03 0.00 -0.75 0.00 0.00 39.64 37.69 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 -3.82 3.02 -0.32 4.38 7.64 -0.83 -4.81 113.62 118.88 3mle n SER 187 Ca -0.34 -0.02 0.11 0.00 1.01 0.00 0.00 58.87 59.63 3mle n SER 187 Cb 0.92 -0.12 0.29 0.00 -1.01 0.00 0.00 64.21 64.28 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 -0.04 0.59 -0.52 -3.43 5.85 -1.43 -1.72 115.31 114.61 3mle h LEU 188 Ca -0.15 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.76 3mle h LEU 188 Cb 1.21 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 3mle h LEU 188 CO -0.04 0.19 0.16 -0.65 -0.34 0.00 0.00 178.44 177.76 3mle h PRO 189 N 0.62 0.32 -0.38 5.25 0.11 -1.85 -0.02 132.00 136.05 3mle h PRO 189 Ca 0.54 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.54 3mle h PRO 189 Cb 0.86 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 3mle h PRO 189 CO -0.41 0.21 -0.12 -0.92 -0.21 0.00 0.00 178.00 176.55 3mle h TYR 190 N 0.33 0.74 -0.06 0.65 3.20 -1.65 -1.36 116.97 118.82 3mle h TYR 190 Ca 0.26 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3mle h TYR 190 Cb 0.30 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 3mle h TYR 190 CO -0.18 0.77 0.04 0.82 -1.64 0.00 0.00 178.16 177.97 3mle h ILE 191 N 0.62 1.02 -0.29 1.81 1.08 -1.17 0.34 117.51 120.91 3mle h ILE 191 Ca 0.11 -0.03 0.06 0.00 -0.39 0.00 0.00 64.86 64.60 3mle h ILE 191 Cb 0.57 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 35.19 3mle h ILE 191 CO 0.04 0.02 -0.06 -0.33 -0.69 0.00 0.00 178.15 177.12 3mle h GLU 192 N 0.08 0.01 0.02 2.37 5.08 -0.67 0.16 114.58 121.62 3mle h GLU 192 Ca 0.02 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3mle h GLU 192 Cb -0.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3mle h GLU 192 CO -0.00 0.01 -0.06 1.25 -1.00 0.00 0.00 179.01 179.21 3mle h LEU 193 N 0.01 -0.16 -0.90 1.33 6.46 -0.99 -1.79 115.31 119.27 3mle h LEU 193 Ca 0.14 0.02 0.18 0.00 -0.12 0.00 0.00 57.88 58.10 3mle h LEU 193 Cb 0.21 0.06 -0.10 0.00 -0.73 0.00 0.00 40.66 40.10 3mle h LEU 193 CO -0.29 -0.08 0.47 0.15 -0.62 0.00 0.00 178.44 178.06 3mle h PHE 194 N -0.11 0.81 -0.04 1.25 3.57 0.23 -2.16 116.94 120.49 3mle h PHE 194 Ca 0.02 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 3mle h PHE 194 Cb 0.13 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3mle h PHE 194 CO -0.12 0.14 -0.39 -0.91 -2.23 0.00 0.00 178.31 174.79 3mle h ASN 195 N 0.60 0.09 0.50 0.41 2.35 0.12 -2.07 115.58 117.57 3mle h ASN 195 Ca 0.51 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 56.21 3mle h ASN 195 Cb 0.82 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.16 3mle h ASN 195 CO -0.41 0.48 -0.10 0.71 -1.65 0.00 0.00 177.43 176.46 3mle h THR 196 N 0.07 0.40 -0.07 2.81 1.35 -0.72 -3.14 112.91 113.61 3mle h THR 196 Ca 0.01 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3mle h THR 196 Cb 0.73 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3mle h THR 196 CO 0.05 0.10 0.00 0.54 -0.25 0.00 0.00 175.52 175.96 3mle n ARG 197 N -3.45 0.82 -5.05 4.72 3.00 -0.89 -4.99 116.66 110.82 3mle n ARG 197 Ca -0.01 -1.18 -0.31 0.00 -0.01 0.00 0.00 57.85 56.35 3mle n ARG 197 Cb 0.25 -1.14 -0.15 0.00 0.00 0.00 0.00 32.46 31.43 3mle n ARG 197 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3mle s SER 198 N -0.69 3.21 0.00 0.55 0.15 -0.83 -5.00 113.70 111.09 3mle s SER 198 Ca 0.10 -0.51 0.25 0.00 0.70 0.00 0.00 55.95 56.49 3mle s SER 198 Cb 0.06 -0.36 1.24 0.00 -1.71 0.00 0.00 66.02 65.25 3mle s SER 198 CO 0.09 0.29 1.83 -0.46 1.20 0.00 0.00 173.24 176.19 3mle n ASN 199 N 2.06 0.75 -3.25 5.45 0.23 -1.26 -4.23 115.26 115.01 3mle n ASN 199 Ca -0.16 -1.38 -0.25 0.00 -0.53 0.00 0.00 54.58 52.25 3mle n ASN 199 Cb 0.52 -0.02 -0.07 0.00 -2.08 0.00 0.00 39.78 38.13 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 -0.36 2.28 -4.68 0.53 2.85 -1.26 -5.12 115.26 109.51 3mle n ASN 200 Ca 0.19 -3.17 -0.38 0.00 -0.11 0.00 0.00 54.58 51.11 3mle n ASN 200 Cb 0.21 -0.64 0.05 0.00 1.24 0.00 0.00 39.78 40.64 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 0.82 1.18 -2.96 1.20 -0.04 -1.26 -4.85 135.00 129.09 3mle n PRO 201 Ca 0.26 0.45 -0.41 0.00 -0.04 0.00 0.00 63.50 63.77 3mle n PRO 201 Cb 0.48 -2.36 -0.04 0.00 -0.04 0.00 0.00 33.50 31.53 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 -1.41 4.94 0.40 0.52 1.01 -1.26 -4.57 121.20 120.83 3mle s ILE 202 Ca 0.76 1.52 0.08 0.00 0.00 0.00 0.00 60.65 63.01 3mle s ILE 202 Cb -0.42 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 37.94 3mle s ILE 202 CO 0.46 0.10 0.34 0.68 0.00 0.00 0.00 174.94 176.52 3mle s VAL 203 N 1.77 2.84 -0.37 2.92 -7.23 -0.82 -4.98 120.40 114.53 3mle s VAL 203 Ca 0.37 -1.38 -0.14 0.00 -1.81 0.00 0.00 61.98 59.02 3mle s VAL 203 Cb -0.17 -3.04 -0.00 0.00 0.56 0.00 0.00 36.38 33.73 3mle s VAL 203 CO 0.14 -0.04 0.27 -0.63 -0.31 0.00 0.00 175.10 174.52 3mle s ILE 204 N -2.44 5.27 0.22 -0.62 1.01 -1.26 -1.04 121.20 122.34 3mle s ILE 204 Ca 0.46 -0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.57 3mle s ILE 204 Cb -0.03 -3.80 0.24 0.00 0.01 0.00 0.00 42.46 38.88 3mle s ILE 204 CO 0.27 -0.12 1.58 0.15 0.00 0.00 0.00 174.94 176.81 3mle h PHE 205 N 8.54 -0.81 0.00 3.97 3.57 -1.37 -0.71 116.94 130.13 3mle h PHE 205 Ca -0.30 0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 3mle h PHE 205 Cb 1.14 0.48 -0.00 0.00 2.79 0.00 0.00 35.95 40.36 3mle h PHE 205 CO 0.62 -0.38 -0.02 1.96 -2.23 0.00 0.00 178.31 178.25 3mle h GLN 206 N -0.06 0.00 -0.29 1.11 7.50 -1.90 -0.73 115.11 120.74 3mle h GLN 206 Ca 0.33 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.48 3mle h GLN 206 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.12 3mle h GLN 206 CO -0.84 0.02 0.00 1.04 -1.50 0.00 0.00 178.83 177.55 3mle n GLN 207 N -3.25 2.27 -0.31 1.46 6.02 -0.29 -4.57 117.38 118.71 3mle n GLN 207 Ca -0.02 -1.91 0.05 0.00 -0.01 0.00 0.00 57.00 55.11 3mle n GLN 207 Cb 0.16 -1.48 0.06 0.00 1.02 0.00 0.00 30.24 30.01 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 1.14 1.08 0.01 1.08 7.64 -0.28 -4.86 113.62 119.43 3mle n SER 208 Ca 0.18 -2.50 -0.10 0.00 1.01 0.00 0.00 58.87 57.46 3mle n SER 208 Cb 0.53 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 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 0.01 -0.54 -0.25 -3.43 3.38 -1.80 0.49 115.31 113.17 3mle h LEU 209 Ca -0.00 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3mle h LEU 209 Cb 1.22 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 3mle h LEU 209 CO 0.00 -0.23 0.15 0.50 0.09 0.00 0.00 178.44 178.95 3mle h LYS 210 N -0.23 0.34 -0.73 1.13 1.63 -1.94 0.62 116.57 117.38 3mle h LYS 210 Ca 0.09 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3mle h LYS 210 Cb 0.36 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.88 3mle h LYS 210 CO -0.24 0.28 0.47 0.28 -3.45 0.00 0.00 179.45 176.79 3mle h VAL 211 N 0.31 1.14 -0.05 2.00 2.07 -1.80 -2.06 116.25 117.86 3mle h VAL 211 Ca 0.09 -0.32 -0.16 0.00 0.82 0.00 0.00 66.70 67.13 3mle h VAL 211 Cb 0.03 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 3mle h VAL 211 CO -0.02 0.17 -0.67 -0.07 0.02 0.00 0.00 177.57 177.00 3mle h LEU 212 N 0.93 0.25 -0.12 2.57 3.38 0.32 -1.01 115.31 121.63 3mle h LEU 212 Ca 0.28 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3mle h LEU 212 Cb -0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3mle h LEU 212 CO -0.09 0.85 0.06 -0.03 0.09 0.00 0.00 178.44 179.32 3mle h MET 213 N 0.15 0.17 -0.21 1.13 4.05 -0.62 -1.06 114.93 118.53 3mle h MET 213 Ca -0.02 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.43 3mle h MET 213 Cb 1.21 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.93 3mle h MET 213 CO 0.10 0.20 -0.09 0.77 0.23 0.00 0.00 176.91 178.12 3mle h SER 214 N 0.09 -0.31 -0.49 1.39 0.02 -1.11 -1.33 113.55 111.82 3mle h SER 214 Ca 0.04 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.16 3mle h SER 214 Cb 0.09 0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.72 3mle h SER 214 CO -0.01 -0.12 0.00 0.15 -1.14 0.00 0.00 176.83 175.71 3mle h PHE 215 N -0.06 -0.03 -0.31 3.45 3.57 -1.08 0.60 116.94 123.08 3mle h PHE 215 Ca 0.11 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 3mle h PHE 215 Cb 0.23 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3mle h PHE 215 CO -0.26 -0.11 0.04 0.00 -2.23 0.00 0.00 178.31 175.76 3mle h ALA 216 N 1.43 1.51 -0.00 2.41 0.00 -0.56 -3.00 119.26 121.04 3mle h ALA 216 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mle h ALA 216 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3mle h ALA 216 CO -0.41 0.36 -0.72 1.28 0.00 0.00 0.00 179.25 179.77 3mle n LEU 217 N -4.34 1.16 -4.73 0.00 4.77 -0.56 -4.63 117.00 108.67 3mle n LEU 217 Ca 0.01 -0.45 -0.37 0.00 -0.03 0.00 0.00 56.01 55.17 3mle n LEU 217 Cb 0.20 -0.06 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3mle n LEU 217 CO 0.38 0.25 0.93 -0.75 -1.33 0.00 0.00 177.39 176.87 3mle s LYS 218 N -2.83 2.67 0.00 3.23 2.36 0.16 -5.04 119.74 120.29 3mle s LYS 218 Ca 0.13 2.12 0.29 0.00 -2.55 0.00 0.00 55.97 55.96 3mle s LYS 218 Cb 0.17 -1.94 1.24 0.00 -1.05 0.00 0.00 37.83 36.25 3mle s LYS 218 CO 0.74 -1.52 1.85 0.41 1.55 0.00 0.00 175.35 178.38